smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc(-c2n[nH]cc2CNC[C@@H]2CN(C3CC3)CCO2)cc1 106380606 KDMDKRLPKZHIPB-QGZVFWFLSA-N 312.417 2.030 0 40 DEAB CS(=O)(=O)c1cnc(-c2ccccc2)nc1N1CCCC1 1402095 KPDNUHUTXIARMI-UHFFFAOYSA-N 303.387 2.147 0 40 DEAB Cc1occc1C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O 78997870 ZOVMXBABEXFDLE-CYBMUJFWSA-N 302.305 2.262 0 40 DEAB CC(=O)OCc1cc(Cl)c(OC(C)=O)c(COC(C)=O)c1 1594713 MWRDUZNZGWCUIO-UHFFFAOYSA-N 314.721 2.392 0 40 DEAB CC(C)C[C@@H](C(=O)NCCN1CCCCC1)N1CCCCC1=O 79069681 XUBKRVFAWJUDMD-INIZCTEOSA-N 323.481 2.016 0 40 DEAB O=C(NCCCCc1ccccc1)C(=O)NCc1ccco1 3178583 HZFAMZYCYUWGJN-UHFFFAOYSA-N 300.358 2.035 0 40 DEAB CCOC(=O)CS[C@@H](CC)C(=O)Nc1nnc(CC)s1 4174602 OOJNCIHGHIJSIC-QMMMGPOBSA-N 317.436 2.114 0 40 DEAB Cc1cc(NS(=O)(=O)c2cccc3cccnc23)n(C)n1 6706988 XXXXRUWKCXFVLW-UHFFFAOYSA-N 302.359 2.078 0 40 DEAB O=C(Nc1ccc(-n2cncn2)nc1)C(F)(F)c1ccccc1 44468882 KQPPIQGGBVWJKL-UHFFFAOYSA-N 315.283 2.393 0 40 DEAB COc1ccc(CN(C)C(=O)NC[C@@H]2CCCO2)c(OC)c1 44890993 KUVMXFTWIADTHB-AWEZNQCLSA-N 308.378 2.024 0 40 DEAB CSc1ccc(NC(=O)COC(=O)c2c(C)noc2N)cc1 10214009 QODDLOQUGZAZRU-UHFFFAOYSA-N 321.358 2.083 0 40 DEAB CN(Cc1ccsc1)C(=O)CN1CCC(c2cc[nH]n2)CC1 58246118 TYQQEDUWWOTNQC-UHFFFAOYSA-N 318.446 2.309 0 40 DEAB COCCOc1ccc(NC(=O)N[C@@H](C)c2ccccn2)cn1 44952515 JBIPSQBBKGRLNR-LBPRGKRZSA-N 316.361 2.385 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1cc(Cl)c(Cl)n1C 44914965 HZMKAFLAKVPTOX-UHFFFAOYSA-N 301.177 2.338 0 40 DEAB Cc1ncc(CN(C)CCS(=O)(=O)c2ccccc2)s1 44975974 WRRVTMHWHLNBTC-UHFFFAOYSA-N 310.444 2.357 0 40 DEAB COc1c(CN[C@H]2CCN(Cc3ccccc3)C2)c(C)nn1C 58305240 VLCODDTXRLLNDL-INIZCTEOSA-N 314.433 2.101 0 40 DEAB O=C(NC1CC1)C1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 58357109 XFVVLWQIUGXOAZ-UHFFFAOYSA-N 324.428 2.363 0 40 DEAB O=C(c1cccs1)N1CCN2C[C@@H](OCC3CC3)C[C@H]2C1 107746678 XSFOGXJYXCNAIR-KBPBESRZSA-N 306.431 2.073 0 40 DEAB CN(C)C(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3337327 JOILHULCLJETNE-UHFFFAOYSA-N 300.145 2.404 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N(CCO)C3CC3)c2)no1 58424051 PBNIIQDDBHWZJW-UHFFFAOYSA-N 302.334 2.034 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)n2cccn2)c1 28482224 HFQSPFFMUJDTFI-VXGBXAGGSA-N 303.362 2.339 0 40 DEAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cccs1 11007262 QNDKSUJDNKWPHU-LLVKDONJSA-N 307.396 2.397 0 40 DEAB CCC1(CC)CC(=O)N(C[C@H](O)COc2ccc(C)cc2)C1=O 28916181 KAEHEMPXDYVAJA-AWEZNQCLSA-N 319.401 2.300 0 40 DEAB C[C@@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1cccs1 29923841 SCFBJECSTJZKOA-SECBINFHSA-N 316.382 2.446 0 40 DEAB Cc1cncc(C(=O)N2[C@H]3CC[C@@H](C3)[C@H]2C(=O)N2CCCC2)c1 106907799 XYLWNCSTPDHOPE-BPUTZDHNSA-N 313.401 2.006 0 40 DEAB NC(=O)CN(C(=O)c1ccc(OC(F)F)cc1)c1ccccc1 12799000 NIWNYXHUFMZSAX-UHFFFAOYSA-N 320.295 2.420 0 40 DEAB Cc1csc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)n1 48231412 MXQBXSXFGITCBW-LLVKDONJSA-N 322.365 2.329 0 40 DEAB C[C@H](NC(=O)N(Cc1cccs1)C1CC1)c1nncn1C 48303634 HYVRTURJHQGMFK-JTQLQIEISA-N 305.407 2.312 0 40 DEAB C[C@@H](OC(=O)c1ccco1)C(=O)Nc1ccc2c(c1)OCO2 3514580 WSGUYDDRXCJYHY-SECBINFHSA-N 303.270 2.192 0 40 DEAB CSc1ncccc1C(=O)OCC(=O)NCc1cccs1 3575950 WXHPQHRFGQABLB-UHFFFAOYSA-N 322.411 2.338 0 40 DEAB Cc1ccc2nc(NC(=O)CN3CSCC3=O)sc2c1 9314310 VYHQRUDOMIOPHA-UHFFFAOYSA-N 307.400 2.076 0 40 DEAB COCCn1c(C)cc(C2=NN=C(NC3CC3)SC2)c1C 13683715 DEAXUHIMNFWQNN-UHFFFAOYSA-N 306.435 2.310 0 40 DEAB C[C@@H]1CCc2c(C(=O)NCCCn3cncn3)csc2C1 65415401 QLYFSBOMXACHED-LLVKDONJSA-N 304.419 2.285 0 40 DEAB CC(=O)c1cc(C(=O)NC[C@H](C)c2c(C)noc2C)n(C)c1 95434526 ZQJMJRSAXJNOFN-VIFPVBQESA-N 303.362 2.366 0 40 DEAB CCN1CCC[C@H]1CNC(=O)Cc1csc(-n2cccc2)n1 95476689 CPZCCNNSUMLHMO-AWEZNQCLSA-N 318.446 2.077 0 40 DEAB CC(C)(C)NC1=NN=C(c2ccc3c(c2)NC(=O)CO3)CS1 14187254 QRQBOUAWZUDAPM-UHFFFAOYSA-N 318.402 2.213 0 40 DEAB COc1cccc2c(C)c(C(=O)NCC(=O)N3CCCC3)oc12 65613700 WJOLUKOTNMONGE-UHFFFAOYSA-N 316.357 2.102 0 40 DEAB CCN1CCN(C2CCN(Cc3ccc(OC)cc3)CC2)CC1 19888823 RZBTVJVBJOAOIW-UHFFFAOYSA-N 317.477 2.297 0 40 DEAB C[C@H]1[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2F)CCN1C 95457643 CKNLJYZIQBNUHT-VHSXEESVSA-N 320.817 2.192 0 40 DEAB COc1cccc(C(=O)C2=NN(C(C)=O)C[C@@H]2c2ccco2)c1 4815152 USQYEYZLEZPSME-CQSZACIVSA-N 312.325 2.473 0 40 DEAB Nc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)s2)n1 15481659 UJGDRAUWUJSXEA-UHFFFAOYSA-N 301.780 2.042 0 40 DEAB CCOC(=O)c1ccc(N2CCC[C@@H](c3ccncn3)C2)nc1 71808729 PTPNVCXLBHKVJO-CQSZACIVSA-N 312.373 2.432 0 40 DEAB CCOc1ccccc1C(=O)OCC(=O)Nc1cc(C)on1 7508169 XICPMWKVZTWADI-UHFFFAOYSA-N 304.302 2.177 0 40 DEAB CCc1cc2c(=O)n(CC)c(S[C@H]3CCOC3=O)nc2s1 7736102 VEAACBHNCXTAEN-JTQLQIEISA-N 324.427 2.448 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N(C)CCOc2ccccc2F)no1 16423010 BFEUGNZSVNFDAT-GFCCVEGCSA-N 321.352 2.460 0 40 DEAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(N)=O)cc1 16732310 JLZHWLNUDTYLAH-UHFFFAOYSA-N 322.361 2.140 0 40 DEAB CN(CC(=O)N1CCC[C@@H]1Cn1cccn1)Cc1ccccc1 70039881 DITCRWFHPUGEKW-QGZVFWFLSA-N 312.417 2.006 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 70040964 FMGIIZJEFAVURC-MRXNPFEDSA-N 324.424 2.492 0 40 DEAB C[C@@H](NCc1cnc(N2CCCC2)nc1)[C@@H](C)n1cccn1 69372285 IWNZZCCFMRGWJO-ZIAGYGMSSA-N 300.410 2.013 0 40 DEAB O=C(NCc1ccsc1)[C@@H]1CSCN1C(=O)C1CCCC1 69507925 BUZONKWVPWHRMF-ZDUSSCGKSA-N 324.471 2.456 0 40 DEAB Cc1cc([C@@H]2CCCN(Cc3nnc(C4CC4)n3C)C2)[nH]n1 84111426 XBIMOYUSKBAYLK-CYBMUJFWSA-N 300.410 2.104 0 40 DEAB O=C(Cc1cccnc1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91758805 IHBRQPWIBZMVPW-BBRMVZONSA-N 318.323 2.237 0 40 DEAB Cc1cnc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91761609 ZLSGCYIYOGRJML-IAQYHMDHSA-N 319.311 2.011 0 40 DEAB Cn1cc(CNC[C@]2(O)CCSC2)c(C2CCCCC2)n1 97086597 XAHOIUPTFSBXOH-MRXNPFEDSA-N 309.479 2.425 0 40 DEAB CC1(NC(=O)c2ccc3c(c2)NC(=O)CO3)Cc2ccccc2C1 92612819 MZLPMWHDXLWNRC-UHFFFAOYSA-N 322.364 2.305 0 40 DEAB NC(=O)[C@@H]1CCCN1C1CCN(CC2CCCCCC2)CC1 97140497 BEJCTTZCKBPZNS-KRWDZBQOSA-N 307.482 2.371 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)NCC(C)(C)O 97162037 LVUYOEDDNLBDMU-ZDUSSCGKSA-N 306.406 2.185 0 40 DEAB CCOc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1C 97114526 FRYDJRBNZARQRF-UHFFFAOYSA-N 320.414 2.454 0 40 DEAB O=C(NCCn1ccnc1)N[C@@H]1CCO[C@H](c2ccccc2)C1 97142090 ANKJMEVJBARPPW-CVEARBPZSA-N 314.389 2.103 0 40 DEAB CC(C)c1nnc2n1C[C@H](NC(=O)NC1CCCCC1)CC2 95998948 DZMRUPZEWCUIDK-CYBMUJFWSA-N 305.426 2.348 0 40 DEAB CC(C)c1nc(S(=O)(=O)N2CCc3ccccc3CC2)c[nH]1 75091885 UXTBGQMNHWSMKJ-UHFFFAOYSA-N 319.430 2.323 0 40 DEAB Cc1ccccc1CS(=O)(=O)NCc1noc(C(C)(C)C)n1 75093737 LCMVPCCNTAAALY-UHFFFAOYSA-N 323.418 2.295 0 40 DEAB Cc1cc(C(=O)N2CCCC[C@H]2Cn2nc(C)cc2C)on1 75129632 FBTIVUYHDVJHHT-AWEZNQCLSA-N 302.378 2.491 0 40 DEAB CCOc1ccc(C(=O)N2CCN3CCC[C@H]3C2)cc1OCC 27932392 RBODBCIRYXWANJ-HNNXBMFYSA-N 318.417 2.404 0 40 DEAB Cc1cc(C)n(CCNC(=O)c2cnn(Cc3ccccc3)c2)n1 28573847 CQVUBZXSEGMUKK-UHFFFAOYSA-N 323.400 2.175 0 40 DEAB CCn1nc(C)cc1C(=O)Nc1ccc(N2CCOCC2)cc1 38549647 NPPLOWRMSMKTHT-UHFFFAOYSA-N 314.389 2.300 0 40 DEAB Cc1cc(C(=O)N2CCC(OCCCN(C)C)CC2)cnc1F 521394920 IMUXXGKIIFZGQP-UHFFFAOYSA-N 323.412 2.102 0 40 DEAB CNC(=O)CO[C@H]1CCCOc2cc(Br)ccc21 1535184747 UOFPBAVTBTWGRW-NSHDSACASA-N 314.179 2.425 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@@H]2c3ccccc3O[C@H]3CCCC[C@@]312 6783868 SEVNYVDCZGGKSS-OIPACUDHSA-N 315.369 2.358 0 40 DEAB biogenic Cn1nccc1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 38510683 AEVJBUUVOIQLQW-UHFFFAOYSA-N 307.357 2.347 0 40 DEAB O=C(CCNC[C@@H]1COc2ccccc2O1)Nc1ccccc1 558657291 SXOASVURWLHULN-OAHLLOKOSA-N 312.369 2.445 0 40 DEAB O=C(c1cncnc1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 72368337 DWDYEDPXOGJDBA-CYBMUJFWSA-N 307.357 2.373 0 40 DEAB O=C(CN1C(=O)CSc2ccccc21)O[C@@H]1CCSC1 78446252 ICFGBUCMXOHWOB-SNVBAGLBSA-N 309.412 2.174 0 40 DEAB c1ccc2c(C[C@H]3COCCN3Cc3nncs3)c[nH]c2c1 1548451869 NRGIFDFTXWUSOR-ZDUSSCGKSA-N 314.414 2.463 0 40 DEAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 223602485 UGZPBHJLKYBFDM-KGLIPLIRSA-N 319.455 2.498 0 40 DEAB C[C@@H]1CN(c2cnn(C)c(=O)c2Cl)C[C@H](c2ccccc2)O1 67905091 VBOKFHAKLXMFCH-BXUZGUMPSA-N 319.792 2.400 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@@H]1c1ccc(O)nn1 530075326 HUEFBDYCQVKQSU-YUELXQCFSA-N 319.405 2.441 0 40 DEAB CN(c1cccnn1)S(=O)(=O)c1cccc2c1OC(C)(C)C2 192626043 FJHDLTIPPUSXAX-UHFFFAOYSA-N 319.386 2.015 0 40 DEAB COc1ccc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@H]23)c(OC)c1 228922671 YNPYJMVXDQNMMS-SWLSCSKDSA-N 302.374 2.385 0 40 DEAB O=C(NCc1ccco1)c1ccnc(O[C@H]2CCSC2)c1 225719516 KWMBWNKNHXFVJJ-ZDUSSCGKSA-N 304.371 2.489 0 40 DEAB C[C@@H](C(=O)N1CCC[C@H]1CN1CCOCC1)c1cccs1 80915084 OTKDKWLWZQGIKQ-KGLIPLIRSA-N 308.447 2.175 0 40 DEAB Cc1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 96047720 HELMIZKCOVWXMQ-YOEHRIQHSA-N 314.389 2.224 0 40 DEAB Cc1cccc(S(=O)(=O)N2CC[C@]3(CCCN(C)C3)C2)c1 96215237 GYCDTHMMEVJRKD-INIZCTEOSA-N 308.447 2.101 0 40 DEAB COCCOC[C@@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 96431802 HWWQQUOHVOKFGU-CYBMUJFWSA-N 302.374 2.293 0 40 DEAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3cccc(OC)c3)C2)C1 96107452 IJPLOWZMKVHHBC-WMZOPIPTSA-N 319.401 2.495 0 40 DEAB c1ccc(CN2CCC3(CCN(c4ncccn4)CC3)C2)nc1 96157681 KMOFLFWBOMIPOY-UHFFFAOYSA-N 309.417 2.364 0 40 DEAB CC[C@H](NC(=O)CCSc1ccccn1)c1nc(C)n[nH]1 97227547 POKPEQVIKOPIQV-NSHDSACASA-N 305.407 2.258 0 40 DEAB CC(=O)N1CCC2(CCOC[C@@H]2COc2cccnc2)CC1 96208716 XIBFJWPDUUAQSQ-OAHLLOKOSA-N 304.390 2.126 0 40 DEAB CN(C(=O)C[C@@H]1OCCc2ccccc21)C1CCS(=O)CC1 96446827 BEARLWZLKPZKTP-DRCDNIGYSA-N 321.442 2.060 0 40 DEAB Cc1ccc([C@H]2CCCCN2C(=O)CSCC(N)=O)cc1 96423822 CZUPPNJZLJNYCD-CQSZACIVSA-N 306.431 2.267 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)C[C@H]3C2)o1 96245562 HMANMJYMTFODIK-IYBDPMFKSA-N 311.385 2.187 0 40 DEAB Cc1cc(C(=O)N2Cc3ccnn3[C@H](CCN(C)C)C2)c(C)o1 248111388 KIJDDEINUADPPP-OAHLLOKOSA-N 316.405 2.242 0 40 DEAB CNc1cc([C@@H]2CCCN2Cc2cnn(C)c2C)nc(C)n1 257293876 QRONVPCSMLHBDQ-HNNXBMFYSA-N 300.410 2.206 0 40 DEAB COc1cc([C@H](C)NC(=O)NC[C@H]2CC[C@@H](O)C2)ccc1F 253396714 FFRUMSCCEJGDRM-GMXVVIOVSA-N 310.369 2.356 0 40 DEAB Cn1ccc(C(=O)N2CCC[C@@H](Cc3cnc4[nH]ccc4c3)C2)n1 257332848 XYYVZHUCBAPFPT-ZDUSSCGKSA-N 323.400 2.391 0 40 DEAB Cc1nc(C(F)F)n(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 684840388 QPRBBJZGMHMHSQ-NUGNTBJXSA-N 312.364 2.465 0 40 DEAB CN(Cc1ccccc1F)CN1C(=O)C[C@]2(CCSC2)C1=O 71795896 LKJHRXXXCJZYKP-INIZCTEOSA-N 322.405 2.097 0 40 DEAB O=C1O[C@@H](C(=O)N2CCOc3ccccc32)Cc2ccccc21 33168019 UXXPCTNVMNNPAW-MRXNPFEDSA-N 309.321 2.194 0 40 DEAB C[C@@H](CNc1ccccc1)NC(=O)CNC(=O)c1ccsc1 79100600 WXJJPTIUAAUCKG-LBPRGKRZSA-N 317.414 2.095 0 40 DEAB CNc1snc(C)c1C(=O)NCc1cccc2c1OCO2 84026819 KBNPGMPKKLTNTI-UHFFFAOYSA-N 305.359 2.152 0 40 DEAB Cc1cccc(NC(=O)Cn2nc(-c3ccco3)ccc2=O)c1 5375935 MRDVKKLNUUDMMN-UHFFFAOYSA-N 309.325 2.450 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)NCc1n[nH]c(=O)c2ccccc12 5313271 YKTAYPDGHCSJJA-GFCCVEGCSA-N 323.352 2.007 0 40 DEAB COc1ccc(C(=O)[C@H]2C(=N)C(=O)N[C@@H]2c2ccccc2)cc1 15079965 KGFYAQRUYRJYJV-GOEBONIOSA-N 308.337 2.385 0 40 DEAB Cc1nccn1CCCNC(=O)c1nc(-c2cccs2)no1 4625340 KLYWFAUTOGNIEI-UHFFFAOYSA-N 317.374 2.123 0 40 DEAB Oc1ccc(-c2nnc(S)n2-c2ccccc2Cl)nn1 5813878 HEHXTDQXLGGPSX-UHFFFAOYSA-N 305.750 2.372 0 40 DEAB O=C(N[C@@H]1CN2CCC1CC2)c1cc(F)c(F)cc1Cl 16383076 TUAAHPNMAKVLSB-CYBMUJFWSA-N 300.736 2.442 0 40 DEAB COc1cccc(CNc2nc3[nH]c(C)c(Cl)c(=O)n3n2)c1 101281884 MITJDUPODPYWAT-UHFFFAOYSA-N 319.752 2.000 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)Nc1cc(Cl)ccc1OC 40023960 LMOAMYABZRGHGE-VIFPVBQESA-N 313.785 2.385 0 40 DEAB Cc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)on1 40497942 JQKJHXMNABNTHC-UHFFFAOYSA-N 313.357 2.035 0 40 DEAB COc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C)OC[C@H]1C 40499009 JXTIMNYLWKBTJR-CHWSQXEVSA-N 315.373 2.130 0 40 DEAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc[nH]c1=S 31296042 ISLHDBRFJOGEGB-GFCCVEGCSA-N 310.325 2.486 0 40 DEAB COCCNC(=O)Nc1ccccc1I 40525538 ALZUTBCDFPCUJE-UHFFFAOYSA-N 320.130 2.059 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 41194681 MQELSIARBHVHKV-JKSUJKDBSA-N 305.374 2.487 0 40 DEAB CC(C)c1c(C(=O)NC[C@@H]2CCCO2)cnn1-c1ccccn1 32912144 DMDKRERHDROZFU-ZDUSSCGKSA-N 314.389 2.300 0 40 DEAB Cc1cnc(NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)s1 32913055 WLKJOBVKQHCFEP-NSHDSACASA-N 310.423 2.220 0 40 DEAB CC(=O)NCCNC(=O)CCCOc1ccc(C(C)(C)C)cc1 22757044 SPZJQCWPLGMQFH-UHFFFAOYSA-N 320.433 2.395 0 40 DEAB CC(C)CSc1nnc(CCC(N)=O)n1Cc1ccco1 42617020 AGVRINGFZWBPHQ-UHFFFAOYSA-N 308.407 2.085 0 40 DEAB C[C@H](NC(=O)NCCNc1ncccn1)c1ccc(F)cc1F 42804300 QYPFJJFMAFSDKE-JTQLQIEISA-N 321.331 2.227 0 40 DEAB COc1ccc2c(c1)C(=O)[C@@H](N1C(=O)c3ccccc3C1=O)C2 34284362 NMAVIEJGHNHXRK-HNNXBMFYSA-N 307.305 2.099 0 40 DEAB Cc1csc(CNC(=O)CN2CCc3sccc3C2)n1 58792511 HRZBASXXNSAOES-UHFFFAOYSA-N 307.444 2.188 0 40 DEAB Cc1c(C(=O)OCC(=O)N(C)[C@H](C)c2ccccc2)cnn1C 28481229 YRCMEPIUBWRSFK-GFCCVEGCSA-N 315.373 2.105 0 40 DEAB NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 1098594 SGCCQPVBUWFLAX-UHFFFAOYSA-N 301.173 2.331 0 40 DEAB CCOC(=O)[C@H](NC(C)=O)[C@@H](O)c1ccc(Cl)cc1Cl 1714343 XKTPQGLAWZCSQQ-NEPJUHHUSA-N 320.172 2.095 0 40 DEAB CN(CCNC(=O)C1(c2cccc(F)c2)CCOCC1)C1CC1 58858702 FNJIDSAXGSIOSI-UHFFFAOYSA-N 320.408 2.084 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)n1 2776718 MPZOUPBCLANDEU-KBPBESRZSA-N 317.389 2.391 0 40 DEAB 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LDZNPTVVFHUACH-ZDUSSCGKSA-N 303.362 2.106 0 40 DEAB O=C1O[C@@H](C(=O)N2CCc3ccccc3C2)Cc2ccccc21 44867851 ZTFAAGOEZOHAOC-QGZVFWFLSA-N 307.349 2.353 0 40 DEAB O=C(c1cc(F)ccc1F)C1CCN([C@H]2CCOC2=O)CC1 58229703 MUWHJIGDKHDDNM-AWEZNQCLSA-N 309.312 2.175 0 40 DEAB CC(C)CCC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 58265553 XEWMOPVPXWXNLY-UHFFFAOYSA-N 320.408 2.475 0 40 DEAB O=c1ccc(-c2nnco2)cn1Cc1cc(-c2ccco2)on1 58250125 GUUVEGHJLMFIDF-UHFFFAOYSA-N 310.269 2.195 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1c1cccs1 44968172 SHKLWKDBKNANEZ-NWDGAFQWSA-N 307.419 2.263 0 40 DEAB CN(C)c1cccc(CNC(=O)[C@@H]2COc3ccccc3O2)c1 58364943 WGBGPXRSLOGOSE-KRWDZBQOSA-N 312.369 2.209 0 40 DEAB COc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2C)c1 58450886 FLXBGRDDGJJYCW-UHFFFAOYSA-N 313.357 2.424 0 40 DEAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 100856709 YTWJVSLFWYPNTL-HNNXBMFYSA-N 324.336 2.437 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)Nc1ncc(C)s1)C(=O)CO2 10820541 MZJMMLVFWSWNJA-UHFFFAOYSA-N 317.370 2.124 0 40 DEAB COc1ccc(CCNC(=O)N[C@H](C)[C@@H]2CCCO2)cc1OC 37170774 QJWBWTQQHXADDD-OCCSQVGLSA-N 322.405 2.113 0 40 DEAB O=S(=O)(NCc1ccccc1-n1ccnc1)c1ccccc1 20462346 RMUHBGUOIIUGSD-UHFFFAOYSA-N 313.382 2.351 0 40 DEAB O=C(NC[C@H]1CCOC1)N(Cc1cccs1)C[C@H]1CCCO1 47067313 DPKNHKSWRCEFFG-ZIAGYGMSSA-N 324.446 2.475 0 40 DEAB CC(=O)c1ccc(NC(=O)NCc2nc(C3CC3)no2)cc1 47320253 CZHQGMATKCRZIT-UHFFFAOYSA-N 300.318 2.471 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccccc1Br 37517837 IJZVSYQXNZDJJD-HGNGGELXSA-N 312.163 2.347 0 40 DEAB Cc1ccc(S(C)(=O)=O)c(NC(=O)NCc2cc(C)no2)c1 61775799 LZQZTOUQEJYEST-UHFFFAOYSA-N 323.374 2.017 0 40 DEAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12515918 VBSUEFMURFNYEU-XQQFMLRXSA-N 319.405 2.081 0 40 DEAB COc1cccc([C@@H]2CCCN2C(=O)NCc2cc[nH]n2)c1 48234576 VTEOWGRHDRPJBX-HNNXBMFYSA-N 300.362 2.465 0 40 DEAB O=C(NC[C@H]1CCOC1)NC[C@H](c1cccs1)N1CCCC1 48311711 KCEUGYOOVOJBME-ZIAGYGMSSA-N 323.462 2.221 0 40 DEAB O=C1NCCC12CCN(c1c(Cl)cncc1Cl)CC2 117587440 KMEGHYUOUGIIAM-UHFFFAOYSA-N 300.189 2.495 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1CC=CC[C@H]1C(=O)O 5059129 OGMORJZWMGMBFU-NWDGAFQWSA-N 303.314 2.063 0 40 DEAB C[C@H](Cc1ccsc1)NCCc1ccc(S(N)(=O)=O)cc1 95419856 KOHNFLQMZLBJKJ-GFCCVEGCSA-N 324.471 2.159 0 40 DEAB Cc1csc([C@@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 65462394 CVIITOCXHRHOJU-KBPBESRZSA-N 317.414 2.051 0 40 DEAB C[C@](NC(=O)NCc1cccc(F)c1)(C(=O)O)c1ccco1 65554036 TZIOZOTVRMPCMC-OAHLLOKOSA-N 306.293 2.218 0 40 DEAB C[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1cccs1 6589481 QAIPEIWYHTXDTD-VIFPVBQESA-N 319.411 2.397 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@@H](n2ccnc2)C1 71796470 PGRVGPDKGOLBLE-LLVKDONJSA-N 308.769 2.239 0 40 DEAB CS(=O)(=O)c1ccccc1[S@@](=O)CCc1ccccc1 95410068 AMPVTHSCYZZQBC-LJQANCHMSA-N 308.424 2.440 0 40 DEAB CN(CC1CCC1)C(=O)NCC(C)(C)N1CCC(N(C)C)CC1 71897787 JCQFOLDMVKQOEB-UHFFFAOYSA-N 324.513 2.233 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc2[nH]c(=O)[nH]c2c1 15541358 WVGGIGVFZDQTHB-QHHAFSJGSA-N 323.308 2.237 0 40 DEAB CCOC(=O)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 7308268 CKBMTEBTIXISMV-UHFFFAOYSA-N 319.382 2.342 0 40 DEAB Cc1ccccc1OCC(=O)/N=c1/[nH]nc(-c2ccccc2)[nH]1 9691786 LIWQLVVQJLOYQG-UHFFFAOYSA-N 308.341 2.220 0 40 DEAB CC(C)(C)n1nc(C(=O)N[C@@H]2C=C[C@H](CO)C2)cc1C1CC1 81766625 NTIBUSUIQNWHNL-WCQYABFASA-N 303.406 2.182 0 40 DEAB CCOc1ccc(OC)cc1NC(=O)CCc1cnn(C)c1 69433551 JGTBMOVGSAHTAW-UHFFFAOYSA-N 303.362 2.399 0 40 DEAB CC1(C)NC(=O)N(CCCN2CC[C@H](c3ccccc3)C2)C1=O 69628781 CJZNRTGYGYCBDL-HNNXBMFYSA-N 315.417 2.196 0 40 DEAB Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)no1 91842446 SQCXGGXDIYIYCY-SNVBAGLBSA-N 322.390 2.223 0 40 DEAB CCOC(=O)c1cnn([C@H]2CCCN(C(=O)c3ccco3)C2)c1 91979285 AOMRPCTXQZZFKA-ZDUSSCGKSA-N 317.345 2.130 0 40 DEAB c1ccc(-c2ncc(CNC[C@@H]3CN(C4CC4)CCO3)cn2)cc1 69870095 DWBNJJAPDTZDNC-GOSISDBHSA-N 324.428 2.096 0 40 DEAB O=C(c1cccc2c1OCO2)N1CCC[C@H](N2CCCC2)C1 69817417 TWDVGNNNHOICLO-ZDUSSCGKSA-N 302.374 2.116 0 40 DEAB CCCCc1ccc(NC(=O)Cn2cnc3c(N)ncnc32)cc1 72269962 JQPUQHVVCMEBBB-UHFFFAOYSA-N 324.388 2.390 0 40 DEAB Cc1cnn(C2CN(Cc3csc(-c4ncccn4)n3)C2)c1 72253879 UCBABIVPNDEOPL-UHFFFAOYSA-N 312.402 2.162 0 40 DEAB CCS(=O)(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 97046128 GEQVQLZBOSCBBO-CYBMUJFWSA-N 320.418 2.001 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)Nc2ccncc2)CC1 97081160 NTXNJHBYBUQBAZ-UHFFFAOYSA-N 312.377 2.004 0 40 DEAB Cc1nc([C@@H]2COCCN2C(=O)c2ccccc2Cl)no1 96000933 HUHHPECSNSLWFQ-LBPRGKRZSA-N 307.737 2.245 0 40 DEAB C[C@@H](O)[C@H]1CCN(C(=O)NCCC2Cc3ccccc3C2)C1 97108074 WINUPDJTPYHIKS-DYVFJYSZSA-N 302.418 2.204 0 40 DEAB Cc1nc([C@@H](C)NS(=O)(=O)c2c(F)cccc2Cl)no1 97147179 YTLIVOBYPWJRMT-ZCFIWIBFSA-N 319.745 2.210 0 40 DEAB Cc1nc2ccc(F)cc2c(N2CCN3C(=O)NC[C@H]3C2)c1C 97145040 GHMDMUKSYKTBGT-ZDUSSCGKSA-N 314.364 2.205 0 40 DEAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccccc1F 72300473 HBMQRVHMGFOVNA-HUBLWGQQSA-N 314.426 2.146 0 40 DEAB COC(=O)Cc1ccc(OCC(=O)N2CCC(C)CC2)cc1 72741529 UDEDAFATHTVSOA-UHFFFAOYSA-N 305.374 2.039 0 40 DEAB Cc1nc(CN2CCN(CCCc3ccccc3)CC2)no1 95959662 ZMSQDQVKEJULAU-UHFFFAOYSA-N 300.406 2.128 0 40 DEAB COc1ccc2[nH]cc(CC(=O)N[C@H]3CC[C@H](C(=O)O)C3)c2c1 95991970 CPIFWJLBEFVCJH-JQWIXIFHSA-N 316.357 2.089 0 40 DEAB CC(C)c1cccc(N(C)C(=O)N[C@H]2CCS(=O)(=O)C2)c1 95955128 CXCZEBPKBBXQEG-ZDUSSCGKSA-N 310.419 2.143 0 40 DEAB O=S(=O)(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1c[nH]cn1 89807642 YVOIHJVJZAOYCG-UHFFFAOYSA-N 317.374 2.354 0 40 DEAB CCNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cn[nH]c2)cc1 89977512 JSLQSPGOTBHKLR-JTQLQIEISA-N 301.350 2.042 0 40 DEAB Cc1ccc(CN2CCC([C@H](O)c3nccn3C)CC2)nc1 89926153 TYCFXIZMTCZPQJ-INIZCTEOSA-N 300.406 2.069 0 40 DEAB Cc1csc([C@@H](C)NC(=O)N[C@H](CO)Cc2ccccc2)n1 69829186 WZUKHWZFLZQZQQ-OCCSQVGLSA-N 319.430 2.415 0 40 DEAB CC(C)n1nccc1NS(=O)(=O)c1c[nH]c2ncccc12 66248525 FNGMUJWDXQJHAR-UHFFFAOYSA-N 305.363 2.141 0 40 DEAB O=C(c1cc(O)nc(C2CC2)n1)N(Cc1ccncc1)C1CC1 553041712 GCANZFZNVBKJJR-UHFFFAOYSA-N 310.357 2.259 0 40 DEAB CCOc1cc(CO)ccc1OS(=O)(=O)c1ccccc1 409110042 QCTKCOULGRLKCA-UHFFFAOYSA-N 308.355 2.345 0 40 DEAB O=S1(=O)[C@H]2CCCC[C@]2(N2CCOCC2)[C@@H]1c1ccccc1 31719721 NMQHAHIFQLFGPR-YESZJQIVSA-N 321.442 2.170 0 40 DEAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 6252777 IRMPITCUTYXXON-HUUCEWRRSA-N 312.369 2.494 0 40 DEAB biogenic CC(C)c1n[nH]c(=S)n1CCNC(=O)c1cc(C2CC2)on1 74260858 CZOPPMQTDMYTBU-UHFFFAOYSA-N 321.406 2.359 0 40 DEAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2C(N)=O)c1 40946035 KLVZOORTJSNKLP-LLVKDONJSA-N 314.341 2.200 0 40 DEAB O=C(c1cc(O)nc(C2CC2)n1)N1CCOC[C@H]1CC1CCC1 568214058 NUAUYYJFIUUKTM-CYBMUJFWSA-N 317.389 2.091 0 40 DEAB CC[C@@H](NC1CCN(c2ccccc2OC)CC1)C(=O)OC 192842427 ODJLZQBPUQBCIL-CQSZACIVSA-N 306.406 2.205 0 40 DEAB CN(C)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cn1 69567151 YRHXDZOIOMCVFN-CQSZACIVSA-N 300.362 2.003 0 40 DEAB CC(C)(C)CNC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 68673242 MWBPFYASZDKPIV-VIFPVBQESA-N 310.316 2.312 0 40 DEAB Cc1ccc(CCNC(=O)[C@]2(C)Oc3ccccc3NC2=O)cc1 41546457 MOWBDXKKMVNAQW-IBGZPJMESA-N 324.380 2.444 0 40 DEAB CCCC[C@@H](CC)C(=O)NCC/N=C(\O)c1ncccc1O 69656514 KAYIZIWLYARMSR-GFCCVEGCSA-N 307.394 2.424 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)C/C=C/c2ccc(C)cc2)C1 84770444 OYYNSHHYNJOKEW-NHZBNJEXSA-N 302.374 2.355 0 40 DEAB C[C@H](NC(=O)CCN[C@H](C)Cn1cccn1)c1ccccc1 69387554 MKRQBNYLZZEYLM-CABCVRRESA-N 300.406 2.129 0 40 DEAB CC(C)Oc1ccc(CNC(=O)[C@H]2CCc3[nH]cnc3C2)cn1 225513434 GZRFYVHDBWOCFN-ZDUSSCGKSA-N 314.389 2.013 0 40 DEAB Cc1cccn2cc(CC(=O)NCCN3CCC[C@H](C)C3)nc12 69814921 FQMSNBSJVRUWHM-AWEZNQCLSA-N 314.433 2.033 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2ccncc2)c1C 95477815 OXDAYAYYWRWHSE-UHFFFAOYSA-N 315.373 2.176 0 40 DEAB Cc1cc2ccccc2nc1NCCOCCS(C)(=O)=O 95426293 SBXVZRFJNNMYBI-UHFFFAOYSA-N 308.403 2.016 0 40 DEAB C[C@@H]1CN=C(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)S1 96449202 SCBQOWSJECFSEN-GHMZBOCLSA-N 321.450 2.117 0 40 DEAB O=C(c1ccc(-c2ccc3c(c2)OCO3)o1)N1CCOCC1 96141110 YJKPTFZHBMLPHM-UHFFFAOYSA-N 301.298 2.148 0 40 DEAB Cn1cc(CN2CC3(CCN(Cc4ccsc4)C3)C2)cn1 96202754 YLSRIVOVFLWGFG-UHFFFAOYSA-N 302.447 2.190 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1nccn2ccnc12 96436138 MOTYVMQKPCQAEM-CHWSQXEVSA-N 302.378 2.054 0 40 DEAB C[C@H](c1ccsc1)N1CCN(CC(=O)NC(C)(C)C)CC1 97378920 NBSBVNWKRBKLPG-CYBMUJFWSA-N 309.479 2.341 0 40 DEAB c1ccc(COC[C@]23COC[C@H]2CN(Cc2ccco2)C3)nc1 96108984 RMCUXFYGFYJXMI-QAPCUYQASA-N 314.385 2.340 0 40 DEAB CCN(Cc1cc(=O)c(O)co1)C[C@H](O)c1ccc(C)cc1 96441674 UZPUWOWQUOLNRX-INIZCTEOSA-N 303.358 2.209 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCN(C)[C@@H](C)C2)c(O)c1 252489077 JEPQBXWXYQFEKF-RYUDHWBXSA-N 320.389 2.238 0 40 DEAB CCc1nc(C)c(CN2C[C@@H](O)[C@H](Oc3cccc(F)c3)C2)[nH]1 257266660 MDYLUHHRHDQXOL-HZPDHXFCSA-N 319.380 2.044 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2ccc(C)cc2)[C@H]1O 257332791 XYQGDMASTGPVKU-BZUAXINKSA-N 305.418 2.317 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 70009709 PTVXXJPHAKBEFQ-YPMHNXCESA-N 324.446 2.274 0 40 DEAB CC(=O)N1CCC[C@H](c2nccnc2-c2sc(N)nc2C)C1 257305076 SOIHZLRGSCPYNM-NSHDSACASA-N 317.418 2.217 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575403812 ORSXSKNHEIZXGV-OAHLLOKOSA-N 318.442 2.485 0 40 DEAB CN1CC[C@@]2(CCCN(C(=O)c3cccc(F)c3)CC2)C1=O 585102553 PMDRBEMTFUZRGP-QGZVFWFLSA-N 304.365 2.300 0 40 DEAB C[C@H](CNS(=O)(=O)c1ccc(F)cc1)CN1CCCCC1 38110495 ZHNGJTIQOWCENQ-CYBMUJFWSA-N 314.426 2.226 0 40 DEAB COc1cc([C@@H](C)NS(=O)(=O)c2ccc(N)cc2)ccc1F 97114605 KWZKKRYRNWPALM-SNVBAGLBSA-N 324.377 2.456 0 40 DEAB Cc1cc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)n(C)n1 11694286 HBVIKLFGDVSFEN-UHFFFAOYSA-N 321.402 2.163 0 40 DEAB O=C(COc1ccccc1)NC(=S)NNc1ccccc1 14257598 ONOBOOJOGYUVRF-UHFFFAOYSA-N 301.371 2.083 0 40 DEAB O=C(CCc1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16029562 ZPZUNRIQRXFASG-DLBZAZTESA-N 322.408 2.427 0 40 DEAB biogenic O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19292318 IPIOYJZHPVQVNK-INIZCTEOSA-N 314.433 2.366 0 40 DEAB O=C(c1ccncc1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19341046 QFCUIAWPYVFKCG-CYBMUJFWSA-N 307.313 2.114 0 40 DEAB CN1CCC[C@@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2 19588816 TUJHVHOAQJJIDB-QGZVFWFLSA-N 322.412 2.442 0 40 DEAB COc1ccc(C[C@@H]2COc3cc(O)cc(O)c3C2=O)cc1O 6041766 WIBOONWRYQFYQJ-SNVBAGLBSA-N 316.309 2.246 0 40 DEAB endogenous,in-man COc1ccc(CNC(=O)NCCc2ccccc2F)cn1 9736399 CJZQJCCSQRISPD-UHFFFAOYSA-N 303.337 2.271 0 40 DEAB CS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 10549306 MSAXEXOITVRTMV-UHFFFAOYSA-N 322.361 2.378 0 40 DEAB O=C(Cc1ccc(Cl)cc1)NC1CN(c2ccccn2)C1 1888860127 HMTSOONMVBEEFJ-UHFFFAOYSA-N 301.777 2.283 0 40 DEAB COc1ccc(Cl)c2sc(N3CCC[C@@H]3C(N)=O)nc12 1889108980 ZMEJDMZYAMZESB-MRVPVSSYSA-N 311.794 2.412 0 40 DEAB C[C@@H]1CCc2sc(C(=O)N3CCC(C(N)=O)CC3)cc2C1 20901752 CHPVUNJEMRXVEP-SNVBAGLBSA-N 306.431 2.210 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(c3ncccc3F)C[C@@H]2C1 2086934230 KRAZAFXWJJLFTP-KBPBESRZSA-N 316.380 2.394 0 40 DEAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccc(Cl)cc1 4503956 RUBITVVMWYOUKW-BFHYXJOUSA-N 321.808 2.068 0 40 DEAB O=C(NCc1c(F)cccc1F)C(=O)Nc1ccccc1F 10326746 JQRZWZXZAFBZII-UHFFFAOYSA-N 308.259 2.359 0 40 DEAB Cc1ccc(-n2nnnc2CNC(=O)Nc2ccccc2)cc1 17052253 SXLCUNVKKMYXEG-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB COc1cc2c(cc1CNC(=O)Cc1cc(C)on1)O[C@H](C)C2 96483203 XICPMTWJOQEVBM-SNVBAGLBSA-N 316.357 2.174 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)Nc1cccc2cccnc12 40477718 QCRIZTPCTBNUTG-LLVKDONJSA-N 300.362 2.271 0 40 DEAB CCN(CC(=O)N(C)C)C[C@H](O)c1cccc(C(F)(F)F)c1 51792366 NCNPEVZFICZBFD-ZDUSSCGKSA-N 318.339 2.149 0 40 DEAB CN(Cc1ccccc1)C(=O)c1ccccc1NS(C)(=O)=O 382763 MYXUPLTYDVRNCF-UHFFFAOYSA-N 318.398 2.330 0 40 DEAB CC(=O)N[C@H](CC(=O)NCc1ccccn1)c1cccs1 21325396 BPFDHMKFBHGJFX-CYBMUJFWSA-N 303.387 2.027 0 40 DEAB Cc1csc(=O)n1CCC(=O)Nc1ccc2c(c1)OCCO2 24153805 SPEHNLPSSUHNPT-UHFFFAOYSA-N 320.370 2.018 0 40 DEAB O=C(CN1CSCC1=O)Nc1cccc(Cl)c1Cl 24596180 ABPVJZPBVVZXLI-UHFFFAOYSA-N 305.186 2.465 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2ccccc2C(N)=O)c1 341770 AJYNRDHVVDAKIY-UHFFFAOYSA-N 300.314 2.055 0 40 DEAB Cc1ccc([C@@H]2OCCC[C@@H]2CNc2ccc3nnnn3n2)cc1 78678137 DIUHZDJFYFCSHI-PBHICJAKSA-N 324.388 2.408 0 40 DEAB COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C)cc1 1476094 CQOFPVUNMHWTQT-MRXNPFEDSA-N 313.353 2.215 0 40 DEAB C[C@H]1CCC[C@@H](CNC(=O)COc2ccc(C(N)=O)cc2)C1 79085216 HCOQNXGPCWSXTI-QWHCGFSZSA-N 304.390 2.107 0 40 DEAB Cc1cc(NC(=O)CSc2nncn2-c2ccccc2)no1 3452622 BPKFFNSAKCVYLU-UHFFFAOYSA-N 315.358 2.295 0 40 DEAB Cc1cccc(CNC(=O)c2ccccc2S(C)(=O)=O)c1 26886646 FKERUWRODIUJQB-UHFFFAOYSA-N 303.383 2.329 0 40 DEAB Cc1csc(NC(=O)COC(=O)c2sc(C)nc2C)n1 10144079 VGYKEFFUTDYIFC-UHFFFAOYSA-N 311.388 2.320 0 40 DEAB CN1CCC(NC[C@H](O)c2cccc(C(F)(F)F)c2)CC1 37887396 LOROGLPMPYDXKR-AWEZNQCLSA-N 302.340 2.423 0 40 DEAB Cc1nn(C)c2c(NCCCn3ccnc3)nc(C3CC3)nc12 57356012 ICSQJZLYEAXLNS-UHFFFAOYSA-N 311.393 2.248 0 40 DEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCc1cccs1 36622749 SLPZCAMJAISFNB-AWEZNQCLSA-N 320.414 2.454 0 40 DEAB Nc1nccnc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 11527300 YSBSQLXJBAGIRX-UHFFFAOYSA-N 323.312 2.156 0 40 DEAB O=C(NCC(=O)N1CCC[C@@H]1c1cccs1)c1ccco1 22131818 FAISPRARZVICRJ-LLVKDONJSA-N 304.371 2.435 0 40 DEAB O=C(/C=C/c1ccco1)NCCCn1cc(Br)cn1 2778140 MIIYRBTUXLHZBS-SNAWJCMRSA-N 324.178 2.458 0 40 DEAB Cc1nc(NC(=O)c2cc(F)ccc2-n2cnnn2)sc1C 12321711 ZAXBGLVZLVQRFM-UHFFFAOYSA-N 318.337 2.127 0 40 DEAB CC(=O)Nc1ccc(OCC(=O)NCc2cccs2)cc1 3448497 HUUXNICWDLXCLQ-UHFFFAOYSA-N 304.371 2.402 0 40 DEAB CN(CC(=O)NC(=O)NC(C)(C)C)Cc1ccc(Cl)cc1 3585329 GAXWVQFAUGYNDT-UHFFFAOYSA-N 311.813 2.396 0 40 DEAB CS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H]2CCCN2C(=O)C2CC2)C1 95417304 MQVHKLLQVNJCSS-MCIONIFRSA-N 310.463 2.130 0 40 DEAB Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCCO)n1 4051930 RXVALSLAUOIYLW-UHFFFAOYSA-N 321.398 2.211 0 40 DEAB CS(=O)(=O)N1CCCc2cc(C(=O)NC3CCCC3)ccc21 13580418 WAHUMWQVUFFUAR-UHFFFAOYSA-N 322.430 2.071 0 40 DEAB CCCc1cc(N2CCC[C@H]2c2cnn(C)c2)n2ncnc2n1 71797071 MXKGXWDWPFNCSR-AWEZNQCLSA-N 311.393 2.152 0 40 DEAB COCCC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408187 JHKSVXWGJPSVPH-LLVKDONJSA-N 314.332 2.019 0 40 DEAB Cc1ccc(NC(=O)COC(=O)c2nn(C)cc2Cl)cc1 4734974 RRIVKRCIRNPODT-UHFFFAOYSA-N 307.737 2.177 0 40 DEAB O=S(=O)(Nc1ccc(Br)cc1)N1CCCC1 4783718 FGYAKEJUBUUPOH-UHFFFAOYSA-N 305.197 2.202 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 71827126 BNIDTKHPORAWFR-ZDUSSCGKSA-N 300.358 2.169 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccnc(C)n2)n1 71865551 UJEPUCQXFZUXDP-OAHLLOKOSA-N 313.405 2.293 0 40 DEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCSCC2)n1 71831126 SNRNGMRTQAVDDW-UHFFFAOYSA-N 317.414 2.378 0 40 DEAB CC1(C)Cc2c(sc3nc(N)n4c(S)nnc4c23)CO1 5903016 KEGJVHZAXLQWPO-UHFFFAOYSA-N 307.404 2.061 0 40 DEAB Cc1cccc(C(=O)OCC(=O)NCc2ccccc2F)c1N 7122231 IVGADTPGGPVTLJ-UHFFFAOYSA-N 316.332 2.190 0 40 DEAB CCNc1nnc(SCC(=O)N2CCCCCC2)s1 7245967 LWTAKZJDRRGHPL-UHFFFAOYSA-N 300.453 2.465 0 40 DEAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc2c(c1)nnn2C 95417728 JJOSHHRWHQXLFH-YVEFUNNKSA-N 324.384 2.210 0 40 DEAB O=C(Nn1cnnc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 95465371 TXDHMYNJAFENGE-NXEZZACHSA-N 312.251 2.051 0 40 DEAB C[C@@H]1CCCC[C@@H]1N1CCC(NC[C@@H](C)[S@](C)=O)CC1 90841719 YKJKJNVLTQDINM-DHYLWCPWSA-N 300.512 2.386 0 40 DEAB O=C(Cn1ccc2ccccc2c1=O)NCCc1ccc(F)cc1 8222930 HJBLGGLIIXGQAU-UHFFFAOYSA-N 324.355 2.500 0 40 DEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccco1 8225913 IVZQYLGGHXFFAX-LLVKDONJSA-N 302.330 2.467 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 72298783 CEOLOCXMOFNBRH-CYBMUJFWSA-N 317.414 2.170 0 40 DEAB Cc1ccc(CNC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1 17138750 QVWFIAIDAZUYMY-UHFFFAOYSA-N 312.369 2.198 0 40 DEAB O=C(C[C@H]1C=CCC1)N1CCN(C(=O)c2cccc(O)c2)CC1 69517211 VSSYHSOJJNFKOF-AWEZNQCLSA-N 314.385 2.033 0 40 DEAB CC1(C)C(=O)NCCN1C(=O)Cc1c[nH]c2cc(Cl)ccc12 72277479 PERGIVFZDNSARQ-UHFFFAOYSA-N 319.792 2.101 0 40 DEAB Cc1cc(NC(=O)Cc2ccccc2C(F)(F)F)nc(=O)[nH]1 97082743 GPHORQLCUVDCBI-UHFFFAOYSA-N 311.263 2.278 0 40 DEAB O=C1NC[C@H]2CN(Cc3nc(-c4ccccc4)cs3)CCN12 91864675 NAEJGLNHNHPKQD-ZDUSSCGKSA-N 314.414 2.020 0 40 DEAB O=C(Cn1cccc(C(F)(F)F)c1=O)Nc1nc2ccccc2nc1Cl 97370680 ATDUSALVRQCUTR-GFCCVEGCSA-N 382.729 3.102 0 40 DEAB Cc1nn(C)c(C)c1CCNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95994862 KUUZRWPUXWXLCS-CQSZACIVSA-N 322.453 2.225 0 40 DEAB Cc1ccc(O[C@@H](C)CNC(=O)Nc2cccn(C)c2=O)cc1 95962290 KWRJYJKRKRYFKC-ZDUSSCGKSA-N 315.373 2.283 0 40 DEAB O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1cccnc1 89832345 DZXSHJBFKMWPFR-MRXNPFEDSA-N 324.380 2.330 0 40 DEAB CCOc1ncc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cc1Cl 89988755 ARQYRNJENLBSJK-MFKMUULPSA-N 311.813 2.156 0 40 DEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(C(C)C)c1 75582448 TVQDKWLBEMTJEM-UHFFFAOYSA-N 323.374 2.271 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 75582347 KJWHORWUJLBRQG-RISCZKNCSA-N 315.421 2.270 0 40 DEAB Cc1ccc([C@](C)(NC(=O)NCc2cc(C)no2)C(=O)O)cc1 65554033 FJEOESWBOLJEQY-INIZCTEOSA-N 317.345 2.091 0 40 DEAB CC(=O)Nc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1 35314182 FJCUFIAGIQYQKB-UHFFFAOYSA-N 308.345 2.315 0 40 DEAB CCc1ncc(NC(=O)N2CCC[C@]2(CO)CC(C)C)cn1 189796112 NBOHOMOYVDBZJK-MRXNPFEDSA-N 306.410 2.444 0 40 DEAB COC(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2C)CC1 76985898 LVSTZAQCMJAPOV-JKSUJKDBSA-N 316.401 2.399 0 40 DEAB CN(CC(=O)O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 79390908 JKOAVTMSIKDBKN-HNNXBMFYSA-N 320.389 2.194 0 40 DEAB Cc1cccc(N2CCN(C(=O)C3CCN(C)CC3)CC2)c1C 74707404 RHGLTHXCKXYQOL-UHFFFAOYSA-N 315.461 2.294 0 40 DEAB C[C@@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C)c1ccn(C)n1 36616171 JAUVFVPVUVGPCI-SNVBAGLBSA-N 324.388 2.070 0 40 DEAB Cc1ccc(C(N)=O)cc1NC(=O)c1cnn2c1C[C@H](C)CC2 567924087 QQQHPSGCJZSXJR-SNVBAGLBSA-N 312.373 2.125 0 40 DEAB O=C(OCc1ccccc1)N(C[C@H]1CCN(CCO)C1)C1CC1 79411257 SAYFEELLMPJZDY-INIZCTEOSA-N 318.417 2.102 0 40 DEAB O=C(O)c1c(I)cnn1C1CCCC1 72339382 OGKGARWZMIOQBC-UHFFFAOYSA-N 306.103 2.301 0 40 DEAB COc1ccc(C)cc1CSCCCN1C(=O)CNC1=O 78555594 JNJPYDKYSIVHIO-UHFFFAOYSA-N 308.403 2.179 0 40 DEAB COC(=O)c1ccc(C(=O)NC[C@H](O)c2sccc2C)cc1 70635651 QDUWGBBZJGPUCU-ZDUSSCGKSA-N 319.382 2.307 0 40 DEAB CCn1nc(C)c(C(=O)N2CCCN(CC3CC3)CC2)c1C 72252794 IKUMQZJBOTXTQH-UHFFFAOYSA-N 304.438 2.078 0 40 DEAB CC(C)(C)[C@H](O)CCNS(=O)(=O)c1cc(F)ccc1F 75157797 KKSQVIYRAZNWSY-GFCCVEGCSA-N 307.362 2.040 0 40 DEAB CCc1nn2c(c1-c1ccccc1)NC=C1C(=O)NN=CC=C12 40387939 CFTSZJAQWRCCGG-UHFFFAOYSA-N 305.341 2.378 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](Oc2cccnn2)C1 225409904 IQHPCYRTZDZBEY-CQSZACIVSA-N 322.368 2.180 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)n1)c1cccc(F)c1 224197517 WVUOQTPNHMJRHF-UHFFFAOYSA-N 300.337 2.146 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 69528972 BVMFNMPYQOYFPJ-KBPBESRZSA-N 302.374 2.114 0 40 DEAB O=C(NCCCN1CCc2ccccc2C1)NCc1cccnc1 47596872 LHHZTQHBWFHHRN-UHFFFAOYSA-N 324.428 2.329 0 40 DEAB C[C@@H](Cn1cccn1)Nc1ccc2nnc(-c3ccccc3)n2n1 69390300 WBSBVMNQMRADNW-ZDUSSCGKSA-N 319.372 2.488 0 40 DEAB CN1CC(=O)N(C(=O)c2cccc(F)c2)c2ccccc2C1=O 40385924 MCNFPWXFBDJBJM-UHFFFAOYSA-N 312.300 2.085 0 40 DEAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1OC 225633590 MGJQMEAQZZRVME-XYPYXGAPSA-N 313.353 2.405 0 40 DEAB COc1ccc2nc(C[C@H]3CN(C)CC[C@H]3CC(=O)O)[nH]c2c1 514288371 BIVQVVZGBAHTBR-RYUDHWBXSA-N 317.389 2.157 0 40 DEAB biogenic,in-vitro CS(=O)(=O)[C@](Cl)(Br)[C@@H](O)c1ccccc1 96519693 WKXKQLBNIHUGGO-IUCAKERBSA-N 313.600 2.052 0 40 DEAB Cc1nnc(CN2CCCC[C@H]2CNC(=O)c2ccccc2)o1 96445771 GJENIIJVAFZGQC-HNNXBMFYSA-N 314.389 2.163 0 40 DEAB CN1CCCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1 97052234 LRYGLOXGJZPJNF-UHFFFAOYSA-N 311.389 2.313 0 40 DEAB C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(CO)c1 97231043 PKTZSDFROHCWKR-FZMZJTMJSA-N 302.340 2.466 0 40 DEAB Cc1ccc(OCC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)cc1 96425513 FRZLCBCAJBXHFT-CYBMUJFWSA-N 315.417 2.472 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4ccsc4)C[C@H]3O2)n1 96058199 UZNYZLLUBIEAMN-CYZMBNFOSA-N 319.386 2.432 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 96451363 FYNFBCLIEVUJDH-DGCLKSJQSA-N 316.357 2.493 0 40 DEAB CCS[C@H]1CCC[C@H]1NC(=O)CNC(=O)c1ccccc1 96450562 XMGLIGNOJGEILJ-KGLIPLIRSA-N 306.431 2.207 0 40 DEAB NC(=O)[C@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 51187659 PYDAUDUBHZEMLG-GOSISDBHSA-N 320.396 2.248 0 40 DEAB CCS(=O)(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 97103170 SXRDWIFDHMWUHR-STQMWFEESA-N 312.435 2.057 0 40 DEAB COc1cc(CNC(=O)N2CCCC[C@H]2CCO)ccc1C 96493223 TYMDAAXLMVHLGQ-HNNXBMFYSA-N 306.406 2.450 0 40 DEAB C[C@H](N)C(=O)N[C@H]1CC[C@H](N(Cc2ccccc2)C2CC2)CC1 249699611 WWKWDFDVFDZMQR-XIRDDKMYSA-N 315.461 2.426 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@H](c2cnccn2)C1 257292632 QMIZZCWVDCGHRG-HNNXBMFYSA-N 311.385 2.434 0 40 DEAB C[C@H](NCC(=O)Nc1cc(C(C)(C)C)no1)[C@@H](C)n1cccn1 69816116 RHIXNAFZZSHQRO-NWDGAFQWSA-N 319.409 2.346 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)c1 69878242 HUGYJRMUIIMGMT-NVXWUHKLSA-N 311.385 2.359 0 40 DEAB COc1cc(CCC(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)on1 257318789 VPJLXZSOOVSYND-CPUCHLNUSA-N 322.405 2.422 0 40 DEAB CC1(C)[C@H](NC[C@H](O)COc2ccc(F)cc2)[C@H]2CCCO[C@H]21 253370164 NBXUJPPVBRTLII-RKTXRCNFSA-N 323.408 2.359 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@@H](c2ccncn2)C1 257252767 JWBVLPGSAQNBSG-OAHLLOKOSA-N 311.385 2.434 0 40 DEAB Cc1ncc2cncc([C@H]3CCCN(C(=O)c4ccncc4)C3)n12 257263745 LRFYWRRIMZPLLZ-HNNXBMFYSA-N 321.384 2.453 0 40 DEAB CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnn[nH]1 252492420 MLQZEAXOOGQYEL-VIFPVBQESA-N 313.283 2.426 0 40 DEAB CC(C)[C@H](C(=O)O)N(Cc1ccccc1Cl)S(C)(=O)=O 547894414 VKUCMIBOQIMRLG-GFCCVEGCSA-N 319.810 2.211 0 40 DEAB Cn1cnc2c1C[C@@H](CO)N(Cc1ccc(Cl)c(F)c1)C2 585094936 VGMWVCPLLLZXNT-NSHDSACASA-N 309.772 2.132 0 40 DEAB Cc1ccc(OC[C@]2(O)COCCN(C3CCCC3)C2)cc1 585269160 KXTBVAXXXCCFKS-GOSISDBHSA-N 305.418 2.380 0 40 DEAB CCOC(=O)CN(C)C(=O)c1sccc1Br 72075650 LBHJPZBCNFNQGE-UHFFFAOYSA-N 306.181 2.146 0 40 DEAB Cc1cc(N)nc(SCC(=O)Nc2nc3c(s2)CCC3)n1 53563001 KPVAOYKDQWOMSS-UHFFFAOYSA-N 321.431 2.043 0 40 DEAB COc1ncccc1NC(=O)Cc1ccc2c(c1)OCCO2 40539873 NPLANAQTSHXNPQ-UHFFFAOYSA-N 300.314 2.043 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](Nc3ncccn3)C2)c1 78996765 CTJIOMFJABEZGQ-LBPRGKRZSA-N 300.362 2.185 0 40 DEAB O=C(O)[C@H](CCc1ccccc1)N1CC[C@@H](c2ncccn2)C1 1574346693 SUXLGRZNRYWXJO-CVEARBPZSA-N 311.385 2.352 0 40 DEAB Cc1ccc(CCNC(=O)N(C)C[C@H]2CCCC[C@@H]2O)cn1 97049382 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2.279 0 40 DEAB O=C(C1=CCCC1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96040956 PATSSIMJXGCMRZ-VYDXJSESSA-N 314.385 2.329 0 40 DEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12)NCC1CC1 96206116 KILRMCFZXMKVGA-ZACQAIPSSA-N 318.417 2.033 0 40 DEAB CN1Cc2ccccc2CC2(CCN([C@H]3CCOC3)CC2)C1=O 96161318 HBJGSGGBYWGABK-KRWDZBQOSA-N 314.429 2.072 0 40 DEAB O=C(c1ccccc1)N1CCN(c2ncc(Cl)cn2)CC1 267068348 IDBXKEREKQPZSF-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB CCO[C@@H]1CCOC2(C1)CN(C(=O)c1cc(C)nc(C)c1)C2 248379186 MBGNZFIPZVVALM-OAHLLOKOSA-N 304.390 2.109 0 40 DEAB COc1ccc([C@@H]2[C@H](N)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 242574919 NJLMFCVZIITXAR-IKGGRYGDSA-N 317.410 2.271 0 40 DEAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccccc1F 257301694 RZLJPZVXNMBSHZ-HZPDHXFCSA-N 318.392 2.370 0 40 DEAB Cc1cc(CC[C@H]2CN(c3nc(C)cc(C)n3)CCO2)ncn1 257272278 NBTMZLVBWZZPDB-INIZCTEOSA-N 313.405 2.030 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cnn2cccnc12 257328849 XHJAAOJPKKDTKG-ZDUSSCGKSA-N 310.361 2.128 0 40 DEAB O=C(CCc1nc2ccccc2[nH]1)N1CC[C@H](c2ccn[nH]2)C1 257277147 NWPYZJZISISLLX-LBPRGKRZSA-N 309.373 2.235 0 40 DEAB CC(=O)N1CCC[C@H](c2ccc(C(=O)N3CCCC3)cn2)C1 257285488 PHJJJORBURAJEY-HNNXBMFYSA-N 301.390 2.044 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@H]2c2ccnc(O)n2)c1 257209695 BRNVWLKHHPPPNK-HNNXBMFYSA-N 313.357 2.097 0 40 DEAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H]1c1ccncn1 257284364 PCJUMHGPBKPTHO-INIZCTEOSA-N 320.356 2.035 0 40 DEAB O=C(O)c1ccc(CNC(=O)c2cnc([C@H]3CCCO3)s2)o1 262756527 JTGPAEUBDRKQNL-SECBINFHSA-N 322.342 2.216 0 40 DEAB C[C@@H](c1nccs1)N1CCN(c2ncnc(N)c2Cl)CC1 277790877 MSCRRTDWBHXFCQ-VIFPVBQESA-N 324.841 2.052 0 40 DEAB Cc1ccc(CN2C[C@H](c3ccccc3C)[C@@H](O)[C@H]2CO)cn1 585294760 JMAVIBPTTOFHAU-GUDVDZBRSA-N 312.413 2.020 0 40 DEAB OC[C@@]1(Cc2ccccc2)CN(Cc2ncccc2F)CCO1 585269351 QDZVLRCAEPTKSL-GOSISDBHSA-N 316.376 2.027 0 40 DEAB CN(C)C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCC1 42740409 BCWXUKVWPMQRJJ-UHFFFAOYSA-N 309.797 2.076 0 40 DEAB CC(C)c1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)no1 53616406 HLVHVOWVVXHDRC-CQSZACIVSA-N 314.389 2.256 0 40 DEAB C[C@@H](Cc1ccsc1)NC(=O)c1ccnc(-n2cncn2)c1 54140717 QNMLXFZVDUUXGX-NSHDSACASA-N 313.386 2.085 0 40 DEAB Cn1cc([C@H]2NC(=O)c3ccccc3N2)c(-c2cccnc2)n1 63494484 JBIGHKXJOKMESZ-MRXNPFEDSA-N 305.341 2.336 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)c1ccc2c(c1)OCO2 69161098 IQLHXDLHFAJQHX-UHFFFAOYSA-N 308.293 2.008 0 40 DEAB CC(C)(NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)O 95424420 AVULPYBCJLMELG-UHFFFAOYSA-N 319.279 2.497 0 40 DEAB COC1(c2noc([C@@H]3CCCS3(=O)=O)n2)CCCCC1 578786893 XUAYKVMITAQAFE-JTQLQIEISA-N 300.380 2.125 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(C2CCOCC2)C1 1615140278 GUOVPALPYOYFQR-KRWDZBQOSA-N 309.381 2.474 0 40 DEAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc2c(c1)OCO2 5073809 JLSIZYMNGQWRJQ-IHRRRGAJSA-N 307.390 2.418 0 40 DEAB O=C(c1cc2c(s1)CCC2)N1CCn2c(nnc2C2CC2)C1 12158672 VMLWSIHRTGFQJE-UHFFFAOYSA-N 314.414 2.362 0 40 DEAB COC(=O)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 12377861 CUFRZKWDNHHNAV-IJEWVQPXSA-N 321.417 2.476 0 40 DEAB COc1ccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)cc1 6434892 ZYLCQGQWHSAPDL-JXMROGBWSA-N 323.396 2.452 0 40 DEAB CCCNC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2C 5001250 BJQKMBGOAMFCCW-UHFFFAOYSA-N 305.378 2.071 0 40 DEAB C[C@@H](c1ccccc1)[C@@H](NCc1ncccc1Cl)C(N)=O 528510324 WZECQBDXGNEPIX-XHDPSFHLSA-N 303.793 2.482 0 40 DEAB Cc1noc(C)c1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390826603 ATTRBBHZYCJQGD-ZDUSSCGKSA-N 304.350 2.309 0 40 DEAB CNC(=O)NC(=O)CSc1nccn1-c1cccc(Cl)c1 10876610 JGWJIBFXKSFDHN-UHFFFAOYSA-N 324.793 2.073 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3cc(C)no3)C2)nc1 1889090937 OGKRZOKGLQBEIK-CQSZACIVSA-N 301.394 2.182 0 40 DEAB Cc1ccc(OCC2CCN(c3nc(C)cc(C)n3)CC2)nn1 1776009860 VEWMDVVTPOHBRP-UHFFFAOYSA-N 313.405 2.487 0 40 DEAB COc1cccc(CN2C[C@H]3CN(c4cccnc4)C(=O)[C@H]3C2)c1 1203822639 XGPXPRKLZMCLSA-YJBOKZPZSA-N 323.396 2.185 0 40 DEAB CCCCN(C(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4504584 MHFNNVJLEJWSAU-AWEZNQCLSA-N 313.394 2.255 0 40 DEAB COc1ccc(C[C@](C)(O)CNC(=O)/C=C/c2ccoc2)cc1 206707071 RMPPNPSGHXBWLT-MOTZXUDYSA-N 315.369 2.411 0 40 DEAB CCOC(=O)N[C@H](C(=O)Nc1ccc2c(c1)OCO2)C(C)C 40088287 IFMKSYFNIFDGNU-ZDUSSCGKSA-N 308.334 2.125 0 40 DEAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)c1cccnc1 30175934 YNJYOSLEGFHKEW-OAHLLOKOSA-N 311.341 2.451 0 40 DEAB Cn1nccc1CNC(=O)c1nn(-c2ccccc2)c2c1CCC2 30582571 JNZXQMFQLVLECW-UHFFFAOYSA-N 321.384 2.025 0 40 DEAB CC(=O)N1C[C@H](C(=O)Nc2nc(C)cs2)Oc2ccccc21 10554860 BFTBITZCTSUIFR-CYBMUJFWSA-N 317.370 2.204 0 40 DEAB Cc1[nH]ccc(=O)c1OCC(=O)NCc1ccc(Cl)cc1 40287464 LQYPWELGBVJJMC-UHFFFAOYSA-N 306.749 2.032 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2C)cc1 7888889 LZOYDVVJHUTZOQ-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB C[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O 1361718 QTDKRBVWQMOHOV-ZDUSSCGKSA-N 310.353 2.117 0 40 DEAB C[C@H]1CCc2c(C(=O)NCc3nnc4n3CCC4)csc2C1 40486227 DZKPQDOIDHTXAN-JTQLQIEISA-N 316.430 2.341 0 40 DEAB COc1ccc(CCNC(=O)Cc2ccc(O)cc2)cc1OC 1704882 AFXJJRRNCJTPND-UHFFFAOYSA-N 315.369 2.311 0 40 DEAB O=C1[C@@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCN1CCCCC1 100587389 MCJUKPTXPPKVLZ-ZIAGYGMSSA-N 310.825 2.380 0 40 DEAB COc1ncccc1CNC(=O)COc1ccc(Cl)cc1 31319657 BJLCDFQNNDWBLT-UHFFFAOYSA-N 306.749 2.439 0 40 DEAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)COc1ccccc1 31560734 SBIHWWNNHJQARM-CQSZACIVSA-N 310.353 2.145 0 40 DEAB CN(C)c1ccc(-c2noc(C(=O)NCc3ccncc3)n2)cc1 20738163 RALMLEYLTOAEGC-UHFFFAOYSA-N 323.356 2.128 0 40 DEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1cccc2cccnc12 100134152 RDUVQHCMRVEVJK-XUXIUFHCSA-N 312.325 2.052 0 40 DEAB in-vitro C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1OC(F)F 32797017 NNADJQFXZYVCLH-SECBINFHSA-N 308.284 2.467 0 40 DEAB NC(=O)COc1ccccc1C(=O)NC1CCCCCCC1 32836056 MBPNIQROYBQIEW-UHFFFAOYSA-N 304.390 2.393 0 40 DEAB CNC(=O)C1CCN(CC(=O)c2cc(C)n(C(C)C)c2C)CC1 29165175 AOSSECNHUFBTLE-UHFFFAOYSA-N 319.449 2.327 0 40 DEAB COc1cc(C(=O)OCC(=O)NC2CCCCCC2)ccn1 32922143 KMTCUQMJYFJWEL-UHFFFAOYSA-N 306.362 2.086 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccccc1C)C2 108524682 MPRIHVFSMIRLKU-CRAIPNDOSA-N 300.402 2.373 0 40 DEAB COc1cc(CNCc2cc(OC)c3c(c2)OCCO3)ccn1 42208322 FNQQQIKFNPXKHN-UHFFFAOYSA-N 316.357 2.160 0 40 DEAB COC[C@H](C)NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 814880 BISURCIVNPDBQB-UFBFGSQYSA-N 314.744 2.123 0 40 DEAB CCOc1cc(C=O)cc(Br)c1OCC(=O)OC 2777043 YXCVHCOYTQUHAS-UHFFFAOYSA-N 317.135 2.212 0 40 DEAB Cn1cc(-c2nc(COc3ccccc3C(N)=O)cs2)cn1 47171530 ZQEPHTPLVDICQK-UHFFFAOYSA-N 314.370 2.222 0 40 DEAB O=c1c2ccccc2ncn1Cc1cnnn1-c1ccccc1 1275023 OXFNPMVRTNKHOE-UHFFFAOYSA-N 303.325 2.026 0 40 DEAB Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 106229844 HRYAHHJNTPNUND-LBPRGKRZSA-N 318.398 2.192 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@H]2Cc2ccccc2)n(C)n1 25359828 ROGXIGVJPZPKHD-INIZCTEOSA-N 312.417 2.374 0 40 DEAB CC(C)[C@H]1CCCC[C@@H]1NC(=O)N[C@H](C)CCS(C)(=O)=O 107522928 RNBVDYCUAVHNSX-MCIONIFRSA-N 318.483 2.324 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)C12CCCC2 108106035 OCSICXCBZDEYKM-KJWHEZOQSA-N 308.422 2.343 0 40 DEAB O=C(CSc1ncccc1C(=O)O)NCc1ccc(F)cc1 3255155 OBMIEFOHKGNXGH-UHFFFAOYSA-N 320.345 2.327 0 40 DEAB CCN(CC)C(=O)Cn1ccc2cc(NC(=O)COC)ccc21 58265023 ULYMGNSWITZFNC-UHFFFAOYSA-N 317.389 2.095 0 40 DEAB Cc1c([C@@H](C)NC(=O)NCCOc2ccccc2)cnn1C 44949522 GNWRMDMLXBORSR-GFCCVEGCSA-N 302.378 2.168 0 40 DEAB CC(C)Sc1ncccc1C(=O)NCCNc1cnccn1 48289992 YVBWQJJTNBMJQK-UHFFFAOYSA-N 317.418 2.214 0 40 DEAB CN(Cc1ccc(Br)o1)c1ccc2nncn2n1 69173152 KISJSZWZBFUGNF-UHFFFAOYSA-N 308.139 2.116 0 40 DEAB O=C(NCc1ccc(F)cc1)N1CCCC[C@H]1C1OCCO1 69257240 KZKIUYPPVYNTNZ-AWEZNQCLSA-N 308.353 2.263 0 40 DEAB C[C@H](Sc1ncc2ccccn12)C(=O)NC(=O)NC(C)(C)C 17046871 RWFVOHFDHVHZQQ-JTQLQIEISA-N 320.418 2.439 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306123110 AELFOZBBQNUOFG-CQSZACIVSA-N 304.390 2.268 0 40 DEAB CCn1nc(C)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1C 69489771 YKQNUHLLBGXBJD-GJZGRUSLSA-N 304.438 2.219 0 40 DEAB COc1ccc(C)cc1NC(=O)COc1ccc(C(N)=O)cc1 6290279 KZRPVKYVINBFKB-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB C[C@H](NC(=O)N1CCSCC1)c1ccc2c(c1)CC(=O)N2 65437363 VWRFDVYKYDUPIK-JTQLQIEISA-N 305.403 2.001 0 40 DEAB COC(=O)c1ccc(Cn2nc(-c3cccs3)ccc2=O)o1 5388062 KYAKJFWGPNCOAF-UHFFFAOYSA-N 316.338 2.400 0 40 DEAB O=C(CC1CCCC1)N1CCN(CC2(O)CCCCC2)CC1 65510414 AWJDCUOYNGBORW-UHFFFAOYSA-N 308.466 2.406 0 40 DEAB C[C@@H]1CCc2c(sc3ncnc(N4CCS(=O)CC4)c23)C1 65547908 OVSVFNHAIWAFJX-SNVBAGLBSA-N 321.471 2.385 0 40 DEAB C[C@@]1(c2ccco2)NC(=O)N(CC(=O)c2ccc(F)cc2)C1=O 14112592 ABWKRRVICTUZHB-INIZCTEOSA-N 316.288 2.069 0 40 DEAB CCn1c(CN(C)CC(=O)NC(C)C)nc2cc(F)ccc21 69582106 AJQHPOLPXWXNJQ-UHFFFAOYSA-N 306.385 2.152 0 40 DEAB Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)n(C)n1 66247813 VPDVQIWYLVIDOZ-UHFFFAOYSA-N 303.746 2.322 0 40 DEAB CC(C)c1nc2c(n1C)CCN([C@@H](C(N)=O)c1ccccc1)C2 69626676 BRPPMNRAYGMFGC-MRXNPFEDSA-N 312.417 2.128 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cn12 69668804 VCRAWAVVRJJVKA-OAHLLOKOSA-N 309.373 2.354 0 40 DEAB CCOc1ccc(OC)cc1NC(=O)c1ccc(=O)n(C)c1 69738709 ULPWKDJTEVZYHU-UHFFFAOYSA-N 302.330 2.045 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccco1 17790077 VYHGBJFOYNVKKJ-UHFFFAOYSA-N 307.371 2.264 0 40 DEAB COC(=O)c1ccc(Cn2cnc3cc(F)ccc3c2=O)s1 96462816 UKMHZESWBCRPOM-UHFFFAOYSA-N 318.329 2.432 0 40 DEAB O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc2c(c1)OCO2 9303036 CKTCBUPPNRYKNV-UHFFFAOYSA-N 322.324 2.307 0 40 DEAB C[C@H](NC(=O)c1n[nH]c2c1CCC2)c1nc2ccccc2n1C 96230820 DVKFNQOZIHPXNX-JTQLQIEISA-N 309.373 2.276 0 40 DEAB CCc1[nH]ncc1C(=O)N1CCC[C@H](n2ccnc2CC)C1 71870747 FTNKLVHNMXYQML-LBPRGKRZSA-N 301.394 2.208 0 40 DEAB CC[C@H](C)n1ncc2c(C(=O)NCc3cc[nH]n3)cc(C)nc21 71853762 PANPHWQTOAQWCU-NSHDSACASA-N 312.377 2.364 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 71835182 PUWVNDJCRUYGLY-ROUUACIJSA-N 314.429 2.488 0 40 DEAB C[C@H]1CN(C2CCN(c3ncnc4sccc34)CC2)CCO1 71821722 ZPSVSDBPAHXMPB-LBPRGKRZSA-N 318.446 2.381 0 40 DEAB COC(=O)c1cccc(NCCC(=O)N2CCCCCC2)n1 94152251 FZCFMNNFNJFSPN-UHFFFAOYSA-N 305.378 2.073 0 40 DEAB COc1ccc([C@H](CO)N(C)C[C@H](O)c2ccccc2)cc1 71904381 IAHOUNPJRDBEIH-ROUUACIJSA-N 301.386 2.394 0 40 DEAB COC[C@@H](O)CN[C@H]1CCc2c(F)ccc(Br)c21 89703421 WPJPAAVSXQFAEZ-UFBFGSQYSA-N 318.186 2.172 0 40 DEAB CN(C)C[C@@](C)(O)CNC(=O)c1cc2cc(Cl)ccc2o1 89901200 ZVKUSMLBSFPFHG-HNNXBMFYSA-N 310.781 2.129 0 40 DEAB CCc1ccc(O)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1 94575361 GNLCAIMWZUBDMA-UHFFFAOYSA-N 309.391 2.106 0 40 DEAB O=C(c1sccc1C1CC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72269262 BSXNUAKUFSCKEL-CABCVRRESA-N 320.458 2.297 0 40 DEAB C[C@@H]([C@@H](C)NCC(=O)N(C)Cc1ccsc1)n1cccn1 72269768 PUFDECPXYUAXHS-OLZOCXBDSA-N 306.435 2.142 0 40 DEAB COCCN1CC[C@@H](NC(=O)N[C@@H](C)CCc2ccccc2)C1 72290854 GSHSNTLKQWCKCA-DOTOQJQBSA-N 319.449 2.028 0 40 DEAB C[C@H](SCc1ccc(I)cc1)C(N)=O 76068385 KRJVGUKXUVBAAQ-ZETCQYMHSA-N 321.183 2.398 0 40 DEAB O=c1[nH]nc2ccc(NCCCCCOC3CCCCC3)nn12 95412046 JMWWBUJEIWREEF-UHFFFAOYSA-N 319.409 2.349 0 40 DEAB C[C@H]1C[C@@H](c2ccccc2F)N(C(=O)NCCC(=O)N(C)C)C1 73742040 MMPPABAEYFMHHT-WFASDCNBSA-N 321.396 2.397 0 40 DEAB CC(C)c1nn(C)c(Cl)c1CN[C@H](C)CC[S@@](C)=O 79073431 AHRDAUQYBOKLLA-DGIBIBHMSA-N 305.875 2.444 0 40 DEAB CC(C)CCO[C@H](C)C(=O)N[C@H](C)c1nnc2ccccn12 95955792 RXXCJYSXWIXCNH-CHWSQXEVSA-N 304.394 2.358 0 40 DEAB C[C@H](NCc1ncnn1C)c1ccc(F)cc1OC(F)F 95968776 HBLVNIZKINZKAR-QMMMGPOBSA-N 300.284 2.406 0 40 DEAB CCNC(=O)[C@@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 95992472 XKNWOVVPPLBXLC-CQSZACIVSA-N 306.381 2.247 0 40 DEAB Cn1ncc(NCCc2nc3ccc(F)cc3[nH]2)c(Cl)c1=O 85689313 DWNQJPQUKYIZHW-UHFFFAOYSA-N 321.743 2.104 0 40 DEAB COc1ccc(CN(CCN)[C@H]2C[C@H](C)N(C)C[C@H]2C)cc1 22579158 UAAWLEXGHZWUTA-VKJFTORMSA-N 305.466 2.185 0 40 DEAB O=C(CCc1ccc(F)cc1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549736472 NFCKEWLZALKNHT-LLVKDONJSA-N 320.343 2.336 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)CN1CC[C@H](OC(F)F)C1 549412064 IJAUSKINFDEPHR-AAEUAGOBSA-N 310.344 2.278 0 40 DEAB OC[C@@H]1CCC2(CCOCC2)CN1C[C@H](O)c1ccc(F)cc1 528642571 ZBNIEESOBZNONK-IRXDYDNUSA-N 323.408 2.113 0 40 DEAB [CH2-]c1c2ccccc2nc(SCC(=O)N[C@H](C)C(C)C)[n+]1C 32739648 SSGHECMFAVBOHW-GFCCVEGCSA-N 317.458 2.494 0 40 DEAB CCCN1CCN(C(=O)c2ccc(Cn3cccn3)cc2)CC1 32611552 IETFMRXMJNURRG-UHFFFAOYSA-N 312.417 2.099 0 40 DEAB CC(C)(C)c1nnnn1CC(=O)c1cccc(OC(F)F)c1 77934857 CUPILUBVUAYRFR-UHFFFAOYSA-N 310.304 2.455 0 40 DEAB NC(=O)CN1CCC[C@H]1c1cccc(Cc2cccc(F)c2)n1 72367505 JSAHFTGCDBWQKT-KRWDZBQOSA-N 313.376 2.434 0 40 DEAB Oc1nc(-c2ccncc2)nc2c1CN(C[C@H]1CCC=CO1)CC2 72339820 LZXGJCXJEMACMF-CQSZACIVSA-N 324.384 2.295 0 40 DEAB O=S(=O)(c1ccc(Cl)cc1Cl)N1CCC(CO)CC1 79440508 PAYSNQOXFWTYSG-UHFFFAOYSA-N 324.229 2.386 0 40 DEAB C[C@]1(C(=O)NCc2ccccn2)Sc2ccccc2NC1=O 40774137 GNCXBDZASUUSFD-MRXNPFEDSA-N 313.382 2.201 0 40 DEAB OC1(c2csc(CN3CCC3)n2)CCN(C2CCC2)CC1 225421551 NGIICKBMFHKVNY-UHFFFAOYSA-N 307.463 2.185 0 40 DEAB biogenic,in-vitro CC(C)CNC(=O)[C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12 223399513 XAAPYTZLIMZQAD-INIZCTEOSA-N 313.401 2.431 0 40 DEAB O=C(c1csnn1)N1CCC2(CC1)CNc1ccccc12 96241281 IBFIMLLYLBVCNL-UHFFFAOYSA-N 300.387 2.138 0 40 DEAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)nc1 96047712 PABDGCHCXFCCED-GDBMZVCRSA-N 316.430 2.384 0 40 DEAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2ccccn2)Oc2ccccc21 96111918 IAGCTTZVCBYGOC-HOCLYGCPSA-N 309.369 2.080 0 40 DEAB biogenic,in-vitro Cc1n[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)nc1=O 96318761 PAVBVWSVWKMMGY-UHFFFAOYSA-N 323.246 2.461 0 40 DEAB O=C(CSc1cn[nH]n1)NCC12CC3CC(CC(C3)C1)C2 95471373 QMKCGDROAHDPKZ-UHFFFAOYSA-N 306.435 2.229 0 40 DEAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc2c(c1)OCO2 96041439 NSMQGIAJFPWSTI-YSVLISHTSA-N 305.374 2.184 0 40 DEAB Cc1ccc(NC(=O)Cn2cnn(C(C)(C)C)c2=O)c(C)c1 97235184 VIQMHWSDHZBWMD-UHFFFAOYSA-N 302.378 2.055 0 40 DEAB CN(C)c1ncc2c(n1)[C@]1(CCN(Cc3ccccc3)C1)COC2 96100221 JCODWVZWEUWPTI-IBGZPJMESA-N 324.428 2.217 0 40 DEAB C[C@H]1c2ccsc2CCN1c1ncnc2c1cnn2CCO 97200166 UHOPNYPSDLNLCY-JTQLQIEISA-N 315.402 2.004 0 40 DEAB CN(C)[C@H]1CCO[C@]2(CCN(C(=O)Cc3ccc(F)cc3)C2)C1 96110901 PBQFFIQEPYZFSG-FUHWJXTLSA-N 320.408 2.080 0 40 DEAB Cc1ccc(-c2ccc(C(=O)NCC(=O)N(C)C)c(C)n2)cc1 257173376 LQKBHXGNOHCTBZ-UHFFFAOYSA-N 311.385 2.183 0 40 DEAB CS[C@H](C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 40553207 ROLNKXMZCDGSME-IJLUTSLNSA-N 309.435 2.385 0 40 DEAB CC(C)n1nccc1CN1CC[C@@H]2[C@H](CCCC(=O)N2C)C1 257203423 APZJNMKGGQBIPX-GDBMZVCRSA-N 304.438 2.297 0 40 DEAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)CCc2c(C)noc2C)[C@H]1O 257250881 JOKLVAMCVCINDL-BFYDXBDKSA-N 324.421 2.001 0 40 DEAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccsc1C)C2 252016555 VZGXMDIKRYXBFX-CJNGLKHVSA-N 306.431 2.435 0 40 DEAB CNC(=O)C1(C(=O)NCC2(c3ccc(C)c(C)c3)CCC2)CC1 279046338 DADVSNHSCYXQPH-UHFFFAOYSA-N 314.429 2.368 0 40 DEAB CCc1ccc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)s1 575424634 UWGZLXWTSBIGKC-LBPRGKRZSA-N 302.421 2.009 0 40 DEAB CCS(=O)(=O)c1ccc(NC(=O)NCc2ccco2)cc1 43953365 XPUIETVBYVSVEI-UHFFFAOYSA-N 308.359 2.395 0 40 DEAB Nc1nc(SCC(=O)c2ccc(Br)s2)n[nH]1 13636167 HPLBTNQSASDBEB-UHFFFAOYSA-N 319.209 2.186 0 40 DEAB Cc1cc(C(=O)N2[C@H]3CC[C@H]2CC(n2cncn2)C3)c(C)o1 825303668 NPUHBRWVUNPWQM-STQMWFEESA-N 300.362 2.496 0 40 DEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1CC(N2CCCC2)C1 1260981136 KSBGEAMGFGZHJX-UHFFFAOYSA-N 320.458 2.034 0 40 DEAB COc1cc(Br)c(CC(=O)NC2CC2)cc1OC 8077255 BEIYIWAQRFQNKM-UHFFFAOYSA-N 314.179 2.287 0 40 DEAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 13009799 CGXYKQSYHFMFAB-TXEJJXNPSA-N 324.808 2.096 0 40 DEAB C[C@H](Oc1cccnc1)C(=O)N[C@](C)(CO)C1CCCCC1 157941688 ABMPNGSVTMYNLJ-SUMWQHHRSA-N 306.406 2.296 0 40 DEAB CCOC(=O)c1cc[n+](Cc2cccc3nsnc23)cc1 5796962 VGVNEWIUTMKOFS-UHFFFAOYSA-N 300.363 2.204 0 40 DEAB O=C(CN1CCOC1=O)N1CCS[C@H](c2ccccc2)CC1 208042737 SAODMEDLPALRGF-AWEZNQCLSA-N 320.414 2.145 0 40 DEAB CCOC(=O)CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 6101486 LBRUPCTXOGGOGD-UHFFFAOYSA-N 302.113 2.153 0 40 DEAB Cc1nccn1-c1cc(NCc2cccnc2N(C)C)ncn1 1888903961 ODGAYOYIGUDWLV-UHFFFAOYSA-N 309.377 2.044 0 40 DEAB COc1cccc(S[C@H](C)c2nc(N)nc(N(C)C)n2)c1 28190879 AIRACSKVSCCNPU-SECBINFHSA-N 305.407 2.382 0 40 DEAB Cc1c(C(=O)OCC(=O)N(C)[C@@H](C)c2ccccc2)cnn1C 28481232 YRCMEPIUBWRSFK-LBPRGKRZSA-N 315.373 2.105 0 40 DEAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccoc1 240067960 SFHZFAGCOQPLDQ-AWEZNQCLSA-N 306.387 2.393 0 40 DEAB CN1CCCC[C@@]2(CN(Cc3ccc(F)c(F)c3)CCO2)C1=O 2037984285 WFVYNFAWKDJGLG-QGZVFWFLSA-N 324.371 2.178 0 40 DEAB CCN1CCO[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@H]2C1 1565553332 UNFYYZITNICEDN-LUKYLMHMSA-N 308.466 2.382 0 40 DEAB Cn1cc(-c2ccc(CNC(=O)Cc3ccc(F)cc3)cn2)cn1 575617201 UEADRQWMBPCQBU-UHFFFAOYSA-N 324.359 2.480 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@@]1(O)CCOc2ccccc21 75158088 PKLNPVALYNHXAK-SFHVURJKSA-N 315.344 2.155 0 40 DEAB O=c1/c(=C/c2ccco2)sc2nc(-c3ccc(F)cc3)nn12 530716 FIJPIKRBSPXQLW-WQLSENKSSA-N 313.313 2.098 0 40 DEAB O=C(Cc1cccc(Br)c1)NCC1CCNCC1 50041933 JGYMXCUBQWCFCQ-UHFFFAOYSA-N 311.223 2.107 0 40 DEAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nccs2)cc1 224816 PEPRBUWOPLMUJH-UHFFFAOYSA-N 310.400 2.254 0 40 DEAB Cc1noc(-c2ccc(C(=O)NCC(C)(C)N(C)C)cc2)n1 43108799 OYAHGFIHMZNJLP-UHFFFAOYSA-N 302.378 2.115 0 40 DEAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(N)=O 571241 FVPRYKLLUKRRFV-UHFFFAOYSA-N 300.358 2.480 0 40 DEAB Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)c2ccccc12 3151668 WTHAUEICOFPESL-UHFFFAOYSA-N 314.370 2.321 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)N[C@H]2CCCC[C@@H]2C)n1 6223411 JLFMCDMJEZKFCQ-ZFWWWQNUSA-N 313.405 2.343 0 40 DEAB COc1cc(CNn2c(C)n[nH]c2=S)cc(OC)c1OC 7601151 LUNGFVILZSMHDF-UHFFFAOYSA-N 310.379 2.019 0 40 DEAB C[C@@]1(c2ccsc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 58290143 UGEPOWJCRGBKTM-INIZCTEOSA-N 314.366 2.398 0 40 DEAB C[C@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCO1 44952281 ADDLWNIHNXKVJM-VIFPVBQESA-N 319.283 2.275 0 40 DEAB CN(c1cccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1)S(C)(=O)=O 101661640 KLIRPGWSEYIYCM-LALPHHSUSA-N 322.430 2.001 0 40 DEAB C[C@H](NC(=O)c1cccnc1OCC(F)(F)F)[C@@H]1CCCO1 27909142 PCYRGHGCDMABDQ-ONGXEEELSA-N 318.295 2.320 0 40 DEAB Cc1nc2[nH]c(CSc3nc4ccccc4o3)cc(=O)n2n1 100071730 OJVRTWMEQSPOGC-UHFFFAOYSA-N 313.342 2.160 0 40 DEAB Cc1cc(NC(=O)C2CCN(Cc3c(C)noc3C)CC2)no1 28142101 BWYMUJZQSKCAPC-UHFFFAOYSA-N 318.377 2.439 0 40 DEAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2cc[nH]c2c1 36366680 AANXFLULGKYHTF-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB O=C(c1ccncc1)N1N=CC[C@]1(O)c1ccc(Cl)cc1 59381715 PGYUCYIARRGGPS-HNNXBMFYSA-N 301.733 2.412 0 40 DEAB COc1ccc(S[C@H](C)C(=O)NC2CCN(C)CC2)cc1 54148160 RWYUNSMVKYSZII-GFCCVEGCSA-N 308.447 2.386 0 40 DEAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2sccc2C1 10922505 XJNWOKHZUNDSEC-LBPRGKRZSA-N 314.410 2.451 0 40 DEAB CCOC(=O)c1nc(-c2cnn(-c3ccc(F)cc3)c2)no1 45795922 SYFPDRVUSMQBDU-UHFFFAOYSA-N 302.265 2.238 0 40 DEAB Nc1nc(Cl)cc(NC[C@H](O)c2ccc(F)c(F)c2)n1 29588624 HWHOFBNSVMFULG-VIFPVBQESA-N 300.696 2.136 0 40 DEAB COc1cc(N2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)ncn1 107228978 UGBYUPNYAAFEQQ-PBHICJAKSA-N 319.405 2.040 0 40 DEAB CN(CCCC(=O)O)C(=O)Cc1cccc(Br)c1 50039964 IJOHMIOVCDTOFL-UHFFFAOYSA-N 314.179 2.315 0 40 DEAB COC(=O)CCNC(=S)Nc1ccc(N2CCCC2)cc1 12549938 JTZIMMAMKVLART-UHFFFAOYSA-N 307.419 2.136 0 40 DEAB Cc1oc2ncn(Cc3cccc(F)c3)c(=O)c2c1C(=O)O 13056606 ZGIYEUYPQCOMFV-UHFFFAOYSA-N 302.261 2.184 0 40 DEAB Cc1n[nH]c([C@@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)n1 76048118 ZJXDWAJHTPOCAJ-INIZCTEOSA-N 316.405 2.474 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1OC 13252584 YPHDSXOYHMVILX-VXGBXAGGSA-N 305.330 2.309 0 40 DEAB O=C1CNC(=O)N1CCSc1cccc(Br)c1 76107975 JVGGZNRJIUAMRZ-UHFFFAOYSA-N 315.192 2.093 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)C1C2CC3CC(C2)CC1C3 96442231 DXNQTKSJSRGWBQ-DUTNFGBUSA-N 306.406 2.145 0 40 DEAB c1ccc(Cn2ncc3c(NC[C@H]4CCCO4)ncnc32)cc1 5347578 OSQURGFVRYPBDE-CQSZACIVSA-N 309.373 2.466 0 40 DEAB CCc1noc(C)c1C(=O)OCC(=O)NCc1ccccc1 5391239 QWOYDTRHVZULSM-UHFFFAOYSA-N 302.330 2.019 0 40 DEAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)n1 5588444 OOFGXWHSIWQYCY-NSHDSACASA-N 309.325 2.013 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCOc1ccc(Cl)cc1 71830123 HFQUPNWRWNDCRR-NWDGAFQWSA-N 324.808 2.221 0 40 DEAB CCc1ccc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)C2)o1 71847729 CHQGODOKMXHOIM-CQSZACIVSA-N 312.369 2.373 0 40 DEAB COc1ccc(N2C[C@H](C(=O)O[C@@H](C)C3CC3)CC2=O)cc1 66547153 CZVRPMSPOHMCOX-WCQYABFASA-N 303.358 2.390 0 40 DEAB Cc1cc(N2CCC[C@H]2C(=O)O)c(Cl)cc1S(C)(=O)=O 15443239 SRWRBFGKDXWYRH-JTQLQIEISA-N 317.794 2.105 0 40 DEAB COc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 170341236 CQDWIHSDRYQNTM-CZUORRHYSA-N 318.417 2.049 0 40 DEAB Cc1cc(C)n(-c2cncc(NCC(C)(C)CN(C)C)n2)n1 71924474 CEHUDWDKAAXUIR-UHFFFAOYSA-N 302.426 2.279 0 40 DEAB CC[C@@H](C)[C@@H](CO)NC(=O)Nc1cccc(OCCOC)c1 71921464 MBPGQCHIRWXLLT-IUODEOHRSA-N 310.394 2.240 0 40 DEAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)CCCOc1ccccc1 68789382 MGOZPKVRLPYLLK-WBVHZDCISA-N 321.417 2.498 0 40 DEAB O=C(Nc1ccccn1)N1CCC(c2nnc3n2CCC3)CC1 95955113 RXUWAZQPDNDYPR-UHFFFAOYSA-N 312.377 2.031 0 40 DEAB C[C@@H](CNC(=O)NCC1C2CC3CC(C2)CC1C3)[S@@](C)=O 95978256 GKOMCEZLWOGINP-DHZFXXFPSA-N 312.479 2.125 0 40 DEAB Cc1cc(C(=O)N2CCCN(Cc3ccccc3F)CC2)on1 69324920 HYHBONDUWAAKDE-UHFFFAOYSA-N 317.364 2.470 0 40 DEAB CCOC(=O)c1cccnc1N1CC[C@H](Cc2cnn(C)c2)C1 95941133 VSSYHLLDMURXNA-CYBMUJFWSA-N 314.389 2.061 0 40 DEAB Cc1nc2nc(NC(=O)C3CCCCC3)nn2c(O)c1Cl 17044227 DXXUFTMJPSKXPU-UHFFFAOYSA-N 309.757 2.311 0 40 DEAB O=C(NC[C@H]1CCCO1)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243003 SWLMYYMGICKOER-SECBINFHSA-N 313.279 2.491 0 40 DEAB C[C@H](CC(=O)Nc1ccccc1)NCCCN1CCCC1=O 8429102 DQBFMFUGTUKBEV-CQSZACIVSA-N 303.406 2.006 0 40 DEAB Cc1cccc(OC[C@@H](O)Cn2cc(Br)cn2)c1 95974738 PLPKSDAXTRWZKA-LBPRGKRZSA-N 311.179 2.394 0 40 DEAB C[C@H]1CN(C(=O)CN(C)Cc2ccc(Cl)s2)CCO1 69589663 RCZUNKUPQQTQHM-JTQLQIEISA-N 302.827 2.081 0 40 DEAB COc1ccccc1[C@@H](C)NC(=O)Cn1cccc(C)c1=O 69633286 MWOGESDWMMYUCD-CYBMUJFWSA-N 300.358 2.043 0 40 DEAB NC(=O)[C@@H]1CCCN1Cc1ccc(OCc2ccccn2)cc1 69770737 SFEYDMPPDVLSRY-KRWDZBQOSA-N 311.385 2.110 0 40 DEAB C[C@@H](NC(=O)NCC(C)(C)c1ccc(F)cc1)c1nncn1C 69700654 KMAXYTVXAHCTCH-LLVKDONJSA-N 319.384 2.292 0 40 DEAB CC(C)CCNC(=O)CSc1nc2ccccc2c(=O)[nH]1 8671342 CNAJMTDCWZHJTH-UHFFFAOYSA-N 305.403 2.178 0 40 DEAB Cn1c(CN[C@H](CO)c2ccccc2)nnc1-c1ccccc1 97081883 YOGLAYHWJYYYQC-MRXNPFEDSA-N 308.385 2.305 0 40 DEAB O=C(CF)N[C@H](NCc1ccco1)C(Cl)(Cl)Cl 19315442 CLYYUVMDEDNEJW-QMMMGPOBSA-N 303.548 2.151 0 40 DEAB O=C(COCC(=O)Nc1ccccn1)Nc1ccc(Cl)cc1 9096421 ZKGLTJITFJYKRL-UHFFFAOYSA-N 319.748 2.329 0 40 DEAB C[C@@H](NCCN(C)C)C(=O)Nc1cc(Cl)cc(Cl)c1 25562445 LDIRTDKJPJGEMH-SECBINFHSA-N 304.221 2.472 0 40 DEAB O=S(=O)(Cc1ncc(-c2ccccc2)o1)[C@H]1CCCOC1 96001606 ZIFOSWSULAGKAZ-ZDUSSCGKSA-N 307.371 2.435 0 40 DEAB COc1ccccc1CCCN1C(=O)N[C@@](C)(C2CC2)C1=O 96002054 LJYSAMMOQLPBMA-KRWDZBQOSA-N 302.374 2.348 0 40 DEAB Cc1cccc(NC(=O)N(C)CCS(C)(=O)=O)c1Cl 72581055 WYNNMJIOZWXKTL-UHFFFAOYSA-N 304.799 2.157 0 40 DEAB CCOC(=O)[C@]1(NCc2ncc(C)o2)CCc2ccccc21 72664700 VDYCUNSXFOXAQE-KRWDZBQOSA-N 300.358 2.477 0 40 DEAB CC[C@@H](C)c1ccccc1OCC(=O)NCc1ncn(C)n1 95454084 QCVVCDRSMZEKAW-GFCCVEGCSA-N 302.378 2.024 0 40 DEAB C[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(OCC2CC2)c(F)c1 95413650 WDJAFQYDVMIDFV-QWRGUYRKSA-N 310.369 2.356 0 40 DEAB OC[C@H](O)CSCc1cn2cc(Cl)cc(Cl)c2n1 95407582 UHOYHKXVOJJQQT-VIFPVBQESA-N 307.202 2.228 0 40 DEAB C[C@H](CO)NC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 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311.345 2.363 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccoc2)cc1 84952775 NYBFAMOFUHABPG-NSHDSACASA-N 307.371 2.392 0 40 DEAB CCS(=O)(=O)CCN(C)C(=O)Nc1ccc2c(c1)CCC2 90000193 OQQSJNPAOWFKPH-UHFFFAOYSA-N 310.419 2.074 0 40 DEAB CC(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O 96420324 PUMMYBGNNRDTAV-CZUORRHYSA-N 318.417 2.416 0 40 DEAB Cn1cc([C@H]2CC(=O)NC23CCN(Cc2ccccc2)CC3)cn1 96199772 ONZOKTAUUFLRBZ-QGZVFWFLSA-N 324.428 2.058 0 40 DEAB CCS(=O)(=O)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96206346 KXDLSBCTASJAAO-CVEARBPZSA-N 324.446 2.050 0 40 DEAB O=C(NCCCc1ccc(Cl)cc1Cl)[C@H]1COCCO1 96445218 GHHVWSQMGSXVBE-CYBMUJFWSA-N 318.200 2.458 0 40 DEAB Cc1c(C(=O)O[C@@H](C)Cn2cccn2)cnn1-c1ccccn1 96485448 QHSLZPIFXIXRFG-LBPRGKRZSA-N 311.345 2.018 0 40 DEAB CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@@H]2C1 96251855 SZNPGJQWYZFNHC-AEFFLSMTSA-N 300.402 2.188 0 40 DEAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 243525953 OANOGVGLIJXETB-ZDUSSCGKSA-N 318.417 2.462 0 40 DEAB 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322.213 2.253 0 40 DEAB CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCC3 5477709 OBQGXPOVWRXPLY-UHFFFAOYSA-N 302.388 2.101 0 40 DEAB CCC(=O)/N=c1\sc2c(C)cc(C)cc2n1CC(=O)OC 100910677 MIGBOVDDOJXCAD-NXVVXOECSA-N 306.387 2.330 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N[C@@](C)(C(=O)O)C2CC2)n1 50364143 FSIDEKOPTACEFA-CQSZACIVSA-N 311.769 2.237 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1cnn(C)c1)c1ccc(Cl)cc1 30991913 KDFJHIGKTRBNPK-CYBMUJFWSA-N 321.764 2.108 0 40 DEAB CCC1(CC)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O 51257857 LVJBRHQPAZWILD-GFCCVEGCSA-N 312.316 2.109 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N[C@H](CO)c2ccccc2)c1 32201723 JYBJZURZIPFJGM-OAHLLOKOSA-N 305.399 2.315 0 40 DEAB O=C(NCC(=O)N1CCc2ccccc21)c1cc(Cl)ccn1 21278354 VIYXDWLJVKUPHX-UHFFFAOYSA-N 315.760 2.054 0 40 DEAB CC(=O)c1ccccc1NC(=O)c1ccccc1OCC(N)=O 21742179 BKWZIAPWNSIHCX-UHFFFAOYSA-N 312.325 2.006 0 40 DEAB CC(=O)Nc1ccc(C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 33062558 QJCZSHFMYQFVMV-UHFFFAOYSA-N 315.304 2.135 0 40 DEAB COCCN(C(=O)c1ccc2c(c1)OCC(=O)N2)C1CCCC1 53153548 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55100237 VDDDSXPSKIGVMK-INIZCTEOSA-N 307.353 2.135 0 40 DEAB O=C(CNC(=O)c1ccccc1)NOCc1ccc(Cl)cc1 3041747 ZTGGQIIGDQEDDF-UHFFFAOYSA-N 318.760 2.318 0 40 DEAB CCCc1noc([C@@H](C)N(C)CC2CCN(C[C@H](C)O)CC2)n1 106781293 LPYAMEPDSAYNCJ-UONOGXRCSA-N 324.469 2.108 0 40 DEAB COc1ncccc1NC(=O)CNC(=O)c1cc(C)cc(C)c1 47553860 RMGHQIAJXKZJTE-UHFFFAOYSA-N 313.357 2.076 0 40 DEAB CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)NC(C)C)cc1 12521745 WHTWBIHAYLQPIU-ZDUSSCGKSA-N 305.422 2.494 0 40 DEAB O=C(Nc1c[nH]ccc1=O)[C@@H]1CCCN(Cc2ccccc2)C1 57170812 IEDKERYFUOMTIV-OAHLLOKOSA-N 311.385 2.226 0 40 DEAB O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)occ1O 26420929 OAOYPXDBKBKRBE-UHFFFAOYSA-N 320.776 2.321 0 40 DEAB CC(C)CNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 1719068 BRDWASHPFSDCKU-UHFFFAOYSA-N 314.385 2.368 0 40 DEAB CCn1cnc2c(Nc3ccc(C)cc3)nc(NCCO)nc21 26532938 SYGVBYWKKNFOSB-UHFFFAOYSA-N 312.377 2.302 0 40 DEAB Cc1cnc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cn1 12530792 YYFKIYRNOJIMGX-HNNXBMFYSA-N 307.357 2.038 0 40 DEAB C[C@H](NC(=O)Cn1ccccc1=O)c1ccc(OC(F)F)cc1 44618711 VMUNGZNKARYBBM-NSHDSACASA-N 322.311 2.327 0 40 DEAB COCCOCCNC(=O)c1cc(C)nc2cc(F)ccc12 58282241 SOBONSIISJPVGA-UHFFFAOYSA-N 306.337 2.075 0 40 DEAB C[C@]1(c2ccsc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 58290145 UGEPOWJCRGBKTM-MRXNPFEDSA-N 314.366 2.398 0 40 DEAB O=C1CCC(c2ccc3c(c2)OCCO3)=NN1Cc1cccnc1 44978414 UNYXGZDZVDEYCR-UHFFFAOYSA-N 323.352 2.380 0 40 DEAB Cc1cc(NCCc2cnn(-c3ccccc3)c2)n2ncnc2n1 48274579 NNHWNLCHMDUPCB-UHFFFAOYSA-N 319.372 2.273 0 40 DEAB COC(=O)[C@@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12919422 KUYOZTCCMKNOGJ-LLVKDONJSA-N 314.341 2.079 0 40 DEAB Cc1ncc2c(n1)CN([C@@H](C)C(=O)N1CCc3ccccc31)CC2 69516524 VFUGAULFMYSIGA-ZDUSSCGKSA-N 322.412 2.121 0 40 DEAB COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccn3)cnc12 8581812 XZXITGRMINMVAH-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 69876198 ZLQGTNPKUXNZSW-SNVBAGLBSA-N 317.216 2.132 0 40 DEAB COC(=O)[C@H](C)N(C(=O)c1ccc(-n2cccc2)nc1)C1CC1 75108545 AZEFFLWAJYSCLD-LBPRGKRZSA-N 313.357 2.038 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1ccc(C)[nH]c1=O)c1ccco1 75124630 DQPKYILWACKBQM-CQSZACIVSA-N 317.389 2.089 0 40 DEAB CCCc1ccc(C(=O)[C@H](C)OC(=O)C2=NNC(=O)CC2)cc1 6560518 QXNXDJIPEXEAMS-NSHDSACASA-N 316.357 2.020 0 40 DEAB COC(=O)CCC(C)(C)NC(=O)[C@H]1CSc2ccccc2O1 75138522 VOFDOKMIPMDOMA-GFCCVEGCSA-N 323.414 2.388 0 40 DEAB Cc1ccc(C(=O)CN2C(=O)COc3ccccc3C2=O)cc1 6758926 CWQCBYPHZMSQQM-UHFFFAOYSA-N 309.321 2.239 0 40 DEAB Cc1ccccc1C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 75140676 DPXJKLJBRMIZTD-UHFFFAOYSA-N 323.396 2.056 0 40 DEAB O=C(O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 5997445 ZRXMJJBBCJEGPU-UHFFFAOYSA-N 316.342 2.158 0 40 DEAB O=c1[nH]nc(SC[C@@H]2CCCCO2)n1CCc1ccccc1 7345969 FTYZUNQJEVDVCK-AWEZNQCLSA-N 319.430 2.475 0 40 DEAB C[C@H]1Oc2ccc(NS(=O)(=O)c3cccs3)cc2NC1=O 7729231 NZAQMSRUHDPIMM-MRVPVSSYSA-N 324.383 2.268 0 40 DEAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)NCC[C@@H]1CCCO1 71185327 LWKZUQKBRLTPCJ-QEJZJMRPSA-N 304.390 2.419 0 40 DEAB Cc1ccccc1NC(=O)CCNC(=O)[C@H](N)c1ccccc1 71764054 PXMYTNIGAAQIOC-QGZVFWFLSA-N 311.385 2.140 0 40 DEAB Cc1noc(C)c1CN1C(=O)COc2ccc([C@@H](C)N)cc21 19768181 YCJYVWBQWDJCMC-SECBINFHSA-N 301.346 2.237 0 40 DEAB Cc1nc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)no1 89718396 PXLXXOUAERTZIL-OAHLLOKOSA-N 312.414 2.407 0 40 DEAB O=C(CCCNC(=O)C1CC1)N[C@@H](c1nccs1)C1CC1 96426608 CHGMTVOCCKBBAH-CYBMUJFWSA-N 307.419 2.017 0 40 DEAB CC(=O)N1N=C(c2ccccc2)C[C@@]12C(=O)Nc1ccccc12 9303751 PYCMVTHJEWMQMY-GOSISDBHSA-N 305.337 2.491 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1ccc2ccccc21 9519988 CWJZKTIEGRHAKC-AWEZNQCLSA-N 302.374 2.345 0 40 DEAB biogenic O=C1CN(C(=O)c2ccc3ncccc3c2)[C@@H]2CCCC[C@@H]2N1 89807841 YBEBAYGKUFTTAF-JKSUJKDBSA-N 309.369 2.118 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1ccc(Cl)cc1 71830118 HFQUPNWRWNDCRR-RYUDHWBXSA-N 324.808 2.221 0 40 DEAB CCNC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 71808768 XPRYGIBXVWTHFU-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB CC(C)Oc1ccccc1CN1CCC[C@@H](N2CCNC2=O)C1 71841079 HGDRIJZDJTZGEY-MRXNPFEDSA-N 317.433 2.463 0 40 DEAB C[C@H](c1ccc(Br)cc1)N1CCN(CCO)CC1 71900490 KTLMBAWFWFODKO-GFCCVEGCSA-N 313.239 2.120 0 40 DEAB CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCO1 76017147 LIRGRDGGJKZMGH-GXTWGEPZSA-N 320.389 2.192 0 40 DEAB C[C@@H](NC(=O)Cc1cccc(O)c1)[C@H](O)c1ccc(F)c(F)c1 97045596 CKJQTWQGLOOIDQ-QGHHPUGFSA-N 321.323 2.451 0 40 DEAB Cc1nccc(CNC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)n1 84290743 OOLNXYWMSKBLRP-KXBFYZLASA-N 322.412 2.488 0 40 DEAB Cn1cccc1[C@H]1COCCN1C[C@H](O)c1ccccc1F 97103523 WTOZPLRQSWPAPN-SJORKVTESA-N 304.365 2.271 0 40 DEAB O=C(NC[C@@H]1COc2ccccc2C1)N[C@@H]1CCCSC1 95407377 PAOLZTHVCLYGQY-TZMCWYRMSA-N 306.431 2.433 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@H](C)c2ccccc2)C1 95949769 WXRYXEOLUSXCMT-BBRMVZONSA-N 303.406 2.100 0 40 DEAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@H]1CCCOC1 74877376 KKVHIJKGPXBQKQ-QMMMGPOBSA-N 323.340 2.482 0 40 DEAB CN(Cc1ccncc1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 74862225 QQZUXNXRAZJYRC-KRWDZBQOSA-N 316.449 2.488 0 40 DEAB Cc1nc(-c2ccccc2F)sc1C(=O)NCCC(=O)O 32070424 MPYCPLRGYLHUSO-UHFFFAOYSA-N 308.334 2.462 0 40 DEAB COc1ccc(COC[C@H](O)CNC(=O)[C@H]2CC=CCC2)cc1 58401525 ILYOIIYASSCEMU-JKSUJKDBSA-N 319.401 2.045 0 40 DEAB CC(C)C[C@@H]1COCCN1C(=O)NCCCCn1ccnc1 73042968 GFEGXCARNUTPOC-OAHLLOKOSA-N 308.426 2.120 0 40 DEAB CCCOc1ccc(C(=O)Nn2c(C)nnc2SC)cc1 33658168 RRIWMKWRNLNBRN-UHFFFAOYSA-N 306.391 2.481 0 40 DEAB CC(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217415957 NRVAEXPTICSTBF-UHFFFAOYSA-N 314.407 2.282 0 40 DEAB O=C(NC[C@H](O)C1CCCCC1)c1ccc2nsnc2c1 70636651 SWVLPCNZNZEMSJ-AWEZNQCLSA-N 305.403 2.362 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc(Cl)cc2F)CC1 189127141 BHQRGMMJEVHKHN-CQSZACIVSA-N 315.772 2.225 0 40 DEAB CC(=O)Nc1cccc2c1CCN(C(=O)[C@@H](O)c1ccccc1)C2 73010296 ZQTRPRSUHWNQKA-SFHVURJKSA-N 324.380 2.263 0 40 DEAB CCO[C@@H](C)C(=O)Oc1ccc(O[C@H]2CCCCNC2=O)cc1 78442830 WHHNLTVBCDBVGA-WFASDCNBSA-N 321.373 2.065 0 40 DEAB Cc1nccn1CCCC(=O)Nc1ccc(-c2nc[nH]n2)cc1 71896755 RDUGLOCGHRJQPE-UHFFFAOYSA-N 310.361 2.396 0 40 DEAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2C(N)=O)c1 40946033 KLVZOORTJSNKLP-NSHDSACASA-N 314.341 2.200 0 40 DEAB CCn1ccc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)n1 226747508 OEYDFTRCEBMAOS-AWEZNQCLSA-N 304.375 2.486 0 40 DEAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(N)cc1 225313885 QRAGCYXBIOOMIH-UHFFFAOYSA-N 306.387 2.493 0 40 DEAB C[C@H](NC(=O)[C@H]1COc2ccccc2C1)c1nnc2ccccn12 40468727 LHZCCJDNVQCMFM-GXTWGEPZSA-N 322.368 2.158 0 40 DEAB CC(C)n1nnnc1CS[C@H]1CCc2ccccc2NC1=O 190970232 DSENLZCFBSFHMO-ZDUSSCGKSA-N 317.418 2.441 0 40 DEAB O=C(CCc1ccccc1)N1CCC[C@@H](Oc2cccnn2)C1 225453521 CCKIUVKIXUZLFJ-MRXNPFEDSA-N 311.385 2.479 0 40 DEAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(N)=O)cc1 225617856 BUTCYUNAKDWXMN-MRXNPFEDSA-N 308.378 2.085 0 40 DEAB COCCNC(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O 225437758 BYQACXWMMKVXFF-VIFPVBQESA-N 324.764 2.425 0 40 DEAB biogenic,in-vitro C[C@@H]1CN(c2ccnc(C(=O)Nc3ccccn3)c2)C[C@@H](C)O1 194381616 MWWOCZKAAGTPSZ-CHWSQXEVSA-N 312.373 2.343 0 40 DEAB O=C(NS(=O)(=O)Cc1ccc(F)cc1F)C1=CCCCC1 195572738 MOFXOFVRGLABAC-UHFFFAOYSA-N 315.341 2.411 0 40 DEAB CC1CCN(C(=O)[C@@H](C)[S@](=O)c2ccc3[nH]ncc3c2)CC1 575105638 XPEFZTGSOACHNK-IPQOISQHSA-N 319.430 2.318 0 40 DEAB CC(C)NC(=O)c1cc2c(nc1NCC1CC1)CCN(C)CC2 96260598 RLVOTQZDBANXPE-UHFFFAOYSA-N 316.449 2.072 0 40 DEAB CC(C)NC(=O)CN1C(=O)c2ccccc2Oc2ncccc21 96118879 IWWLTHBKKPDSAK-UHFFFAOYSA-N 311.341 2.359 0 40 DEAB O=C1CC2(CCN(c3nncs3)CC2)c2ccccc2N1 96080288 XBWKPZKDVBTESE-UHFFFAOYSA-N 300.387 2.419 0 40 DEAB Cc1occc1C(=O)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96048571 DYCOFRSDVSPMDT-WMLDXEAASA-N 315.373 2.421 0 40 DEAB CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 96052273 YUIPJUFKZGTYBD-GOEBONIOSA-N 310.463 2.060 0 40 DEAB CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]2Oc1ccccn1 248157987 JMQBKBPNTVRXEJ-VNHYZAJKSA-N 310.419 2.053 0 40 DEAB COc1cccc(CNC2CCC3(CC2)OCCO3)c1OC 48715490 HUZLDNLGMZTWFE-UHFFFAOYSA-N 307.390 2.479 0 40 DEAB CO[C@H]1CN(Cc2nc3ccccc3n2C)CC[C@@]12CCCO2 257265912 MAWHBPARDQHJSK-WMZOPIPTSA-N 315.417 2.343 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](Cc3cccnc3)C2)n1 257205176 AXYNVLYFHKSMDS-KRWDZBQOSA-N 312.417 2.376 0 40 DEAB COCCN1CCC(c2cc(-c3cc(C)n[nH]3)nc(C)n2)CC1 257269744 MRFDBUAAOFLCHO-UHFFFAOYSA-N 315.421 2.309 0 40 DEAB O=C(c1ccc(-n2cccc2)cc1)N1CC(Nc2ncccn2)C1 253471229 BOGMKNYODVNKTQ-UHFFFAOYSA-N 319.368 2.204 0 40 DEAB Cc1cc(C)n(CCCC(=O)N2CC[C@@H](c3ccn[nH]3)C2)n1 257311870 ULIWNHNWVWCYJJ-CQSZACIVSA-N 301.394 2.019 0 40 DEAB CC[C@]1(C)C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)O)CC1 263176531 LFECZIBKFNYBSS-AYMQEEERSA-N 309.406 2.151 0 40 DEAB Cc1cccc(C[C@H]2CCN(C(=O)Cc3ccncc3)C[C@H]2O)c1 585280081 XXZRJYDOLSOUPG-RTBURBONSA-N 324.424 2.385 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC[C@H]1CN1CCCC1 60113255 AGDWPAORVOSKEC-INIZCTEOSA-N 308.447 2.077 0 40 DEAB Cc1cc(=O)n(Cc2cccc(F)c2)c(N2CCSCC2)n1 65307443 KPERGRSNSFTNMH-UHFFFAOYSA-N 319.405 2.292 0 40 DEAB Cn1cc(C(=O)N2CC=C(c3cccs3)CC2)ccc1=O 89755067 ZYPAANLUHZSQLV-UHFFFAOYSA-N 300.383 2.376 0 40 DEAB Cc1ccncc1NC(=O)N(C)CC(C)(C)CN1CCOCC1 95989122 VVHXKUVNFNGEAV-UHFFFAOYSA-N 320.437 2.212 0 40 DEAB Cc1cccc(CN2CCN(c3nccc(N(C)C)n3)CC2)c1 301739410 SXUITTSOQABEDU-UHFFFAOYSA-N 311.433 2.173 0 40 DEAB Cn1cnc(CN2CCC[C@H](O)[C@@H]2Cc2cccc(F)c2)c1 1615143230 KLLONCKFBWMWEL-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB Cc1cccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)c1 15733944 IMLHOTVXHOMHMD-UHFFFAOYSA-N 315.354 2.125 0 40 DEAB COc1ccc(CN2C[C@H]3CCCN3C[C@H]2C)c(OC)c1OC 19575102 WFZFKCYFUDZFMR-UKRRQHHQSA-N 320.433 2.381 0 40 DEAB CN(C)c1ccc(CCNC(=O)c2cn3ccccc3n2)cc1 19657685 PCZQVAIEIBQAJI-UHFFFAOYSA-N 308.385 2.373 0 40 DEAB C[C@H]1CN(C(=O)c2cc(N)cc(Br)c2)C[C@H](C)O1 165103707 OEVRSBLATQIBDN-IUCAKERBSA-N 313.195 2.281 0 40 DEAB O=C(N[C@@H]1CCc2onc(CN3CCCC3)c2C1)C1CCC1 2055739440 YRRIPQLPGVTTSC-CYBMUJFWSA-N 303.406 2.044 0 40 DEAB Cn1cc(-c2cc(CNC(=O)/C=C/c3ccco3)ccn2)cn1 575617990 GDBKJQJKSFKBSX-SNAWJCMRSA-N 308.341 2.405 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(N)=O)cc1 40161100 JLMMRJUPARWKQS-UHFFFAOYSA-N 308.334 2.034 0 40 DEAB O=C(NCc1cccnc1-n1cncn1)c1ccc(Cl)s1 40108918 HJPGBPFDIYUSGR-UHFFFAOYSA-N 319.777 2.307 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 28430 PJICCQDHPYLPTH-CABCVRRESA-N 316.382 2.076 0 40 DEAB Cc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1 792507 QPWSZPPSQBPNPD-UHFFFAOYSA-N 305.769 2.414 0 40 DEAB NC(=O)N[C@H](CC(=O)Nc1ccccn1)c1ccccc1Cl 40475390 XMDBFVYGRLDDES-GFCCVEGCSA-N 318.764 2.473 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)CCCn1c(=O)oc2ccccc21 40498999 JADFJTYWBQMBNV-QWHCGFSZSA-N 318.373 2.011 0 40 DEAB CCCCN1C(=O)C[C@H](C(=O)NC)[C@@H]1c1ccc(OC)cc1 40489336 FOFWXPXGGAFRRO-HOCLYGCPSA-N 304.390 2.131 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)c3ccoc3)C2)no1 40497896 ZXJDNHRAQSMOHG-NSHDSACASA-N 303.318 2.067 0 40 DEAB COCCS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 89420223 QQRGNZCJMWAGMB-UHFFFAOYSA-N 320.414 2.233 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CCN(C(=O)C2CCCC2)CC1 51538081 GMTXBKVCACSIFE-GFCCVEGCSA-N 318.421 2.342 0 40 DEAB COc1cc2ncn(CC(=O)c3ccccc3)c(=O)c2cc1OC 20729678 JCHGPEPPQCECTK-UHFFFAOYSA-N 324.336 2.297 0 40 DEAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cccc(F)c1 21019375 VGJYRTMENKZJIN-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CN(C)C(=O)NC1CC2(CCN(Cc3cncc(Cl)c3)C2)C1 108527578 NEHNGZVAMRTGLL-UHFFFAOYSA-N 322.840 2.361 0 40 DEAB S=C(Nc1ccc(-n2cnnn2)cc1)N[C@H]1C[C@H]2CC[C@H]1C2 102323021 PNCVTZHJYLBCRJ-MJVIPROJSA-N 314.418 2.137 0 40 DEAB NC(=O)CCN(C(=O)c1ccccc1F)c1ccc(F)cc1 32848092 LRZDESYYAJNUSB-UHFFFAOYSA-N 304.296 2.487 0 40 DEAB Cc1ccc(SCCNC(=O)CSc2nc(C)n[nH]2)cc1 22284426 RBPYCFQUXDXZPM-UHFFFAOYSA-N 322.459 2.422 0 40 DEAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccccc1Cl 53492173 RQXWTEUVGAEKAS-JTQLQIEISA-N 309.797 2.308 0 40 DEAB Cc1nn(-c2ccccc2)nc1C(=O)OCC(=O)OC(C)(C)C 22744925 PFQADQTZWLNXGP-UHFFFAOYSA-N 317.345 2.074 0 40 DEAB Cn1nc(CC(=O)Nc2ccccc2F)c2ccccc2c1=O 812392 TTXKWIMYZFWCOE-UHFFFAOYSA-N 311.316 2.254 0 40 DEAB Cn1ccnc1[C@H](NC(=O)c1ccncc1)c1ccc(F)cc1 23776094 KOWJYQPQGUFFTE-OAHLLOKOSA-N 310.332 2.474 0 40 DEAB CN(C)[C@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 12196090 LVXMKALEQAKVQE-OAHLLOKOSA-N 312.369 2.448 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 43271225 HCVLANMYKFNUML-NSHDSACASA-N 323.784 2.010 0 40 DEAB Cc1c([C@H](C)NC(=O)Nc2nnc(C3CC3)s2)cnn1C 43359254 NKJWFNZLXCRPEQ-ZETCQYMHSA-N 306.395 2.340 0 40 DEAB Cc1cc(C)cc(C(=O)NCC(=O)Nn2cnc3ccccc32)c1 24982413 IPNPNNUZMUMZNO-UHFFFAOYSA-N 322.368 2.153 0 40 DEAB C[C@@H]1CN([C@H](CNCc2nccn2C)c2cccs2)CCO1 106907893 NCTSQKRVHZWQOO-ZIAGYGMSSA-N 320.462 2.033 0 40 DEAB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cn1 21734956 IOCIAMMJOAAACI-SCRDCRAPSA-N 320.389 2.330 0 40 DEAB O=C(Nc1nccs1)c1ccc(Cn2ccccc2=O)o1 26023661 WASXPBLEPYEQRK-UHFFFAOYSA-N 301.327 2.198 0 40 DEAB Cn1cnc(S(=O)(=O)N2CCC[C@H]3CCCC[C@@H]32)c1Cl 35221416 GDCMDIKBZIDEAG-MNOVXSKESA-N 317.842 2.417 0 40 DEAB COc1ccc(OC)c(NC(=O)Cn2nnc3ccccc32)c1 6998952 BDGQEJITTPXXKQ-UHFFFAOYSA-N 312.329 2.087 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)Nc1cccc(COCC2CC2)c1 58182942 AZVSSWOMBVETCH-LBPRGKRZSA-N 319.405 2.259 0 40 DEAB CCOCCO[C@H](C)C(=O)Nc1nccn1Cc1ccccc1 58370697 HZZLDTJHOSWYFC-CQSZACIVSA-N 317.389 2.312 0 40 DEAB NC(=O)c1cnc(NCCCN2CCCCCC2=O)c(Cl)c1 48287253 BKZKRSLYSBMXNU-UHFFFAOYSA-N 324.812 2.039 0 40 DEAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 48325260 ZQJFWKVJYZOXJI-HNNXBMFYSA-N 302.418 2.382 0 40 DEAB CCC[C@@H](C)NC(=O)CSc1nc2nc(C)cc(C)n2n1 3467031 ODFHUYJMSBILJI-SECBINFHSA-N 307.423 2.138 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505629 NMJYHTKDELQMKM-STQMWFEESA-N 321.421 2.031 0 40 DEAB Cc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)c(O)c1 7960400 KPEICRLMXWMLLP-UHFFFAOYSA-N 309.325 2.049 0 40 DEAB Cn1ncc2c(SCc3cccc4c3OCCO4)ncnc21 64339123 VTXSMJAUWNZZBU-UHFFFAOYSA-N 314.370 2.427 0 40 DEAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccco2)n1C1CC1 8249081 ZXIXVZIBUTVEDD-VIFPVBQESA-N 306.391 2.484 0 40 DEAB O=C(O)CSc1nc(-c2ccccc2Br)n[nH]1 20159394 OZYBJJLQTAPRFN-UHFFFAOYSA-N 314.164 2.411 0 40 DEAB CCN(CCN1CCCCC1)C(=O)c1cnn2ccccc12 67871769 GCVWVNRVCNYQPA-UHFFFAOYSA-N 300.406 2.282 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cn1 6216419 KCSAFWSVINCMNZ-UHFFFAOYSA-N 309.709 2.135 0 40 DEAB Cc1nc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)no1 67939748 QIYFHNXDADVPGV-UHFFFAOYSA-N 303.366 2.244 0 40 DEAB C[C@@H](NC(=O)CSc1nnnn1C1CCCC1)c1ccco1 13988583 QVAFIZKSWGVIIF-SNVBAGLBSA-N 321.406 2.351 0 40 DEAB CSCC[C@@H]1NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O 13988134 JIURXXWVPVQXQJ-JTQLQIEISA-N 321.358 2.108 0 40 DEAB CCN1CCN(C[C@@H](O)c2ccc(OC(F)(F)F)cc2)CC1 65565633 DFQJNRQURHQNDL-CQSZACIVSA-N 318.339 2.256 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 14113137 UXMPFDNESSJOOQ-INIZCTEOSA-N 306.337 2.208 0 40 DEAB Cc1ccccc1NC(=O)Cc1c(C)nc2c(c1C)c(=O)[nH]n2C 69385402 VEVFEAYYFUOGSW-UHFFFAOYSA-N 324.384 2.368 0 40 DEAB Cc1cccc(NC(=O)CN(C)Cc2noc(CC(C)C)n2)n1 69537416 RKFRNAGOTPIHPH-UHFFFAOYSA-N 317.393 2.042 0 40 DEAB Cc1ccnc2nc(C(=O)N3CCCC[C@H]3c3cccn3C)nn12 96445086 JBUMWTCFLCYDOU-AWEZNQCLSA-N 324.388 2.139 0 40 DEAB C[C@@H](C(=O)NC1CC1)N1CCO[C@H](c2ccccc2Cl)C1 69628970 UDVSFYZCKDIUQK-NHYWBVRUSA-N 308.809 2.380 0 40 DEAB Nc1nc(CN2CCC[C@@H]2Cn2cccn2)nc2ccccc12 69655863 JREHKVSUDYSJTJ-CYBMUJFWSA-N 308.389 2.073 0 40 DEAB O=C(NCc1cccnc1)N1CCO[C@H](Cc2ccccc2)C1 96493863 VHKJQOUIFDVEJN-QGZVFWFLSA-N 311.385 2.235 0 40 DEAB COC(=O)c1cc(NC(=O)c2occc2C)cc(C(=O)OC)c1 8705803 HEUXBXGFVGEKAL-UHFFFAOYSA-N 317.297 2.414 0 40 DEAB C[C@@H]1CO[C@@H](CO)CN1C(=O)c1ccc(F)cc1C(F)(F)F 92382307 QQOUGLMMJFUANT-PSASIEDQSA-N 321.270 2.066 0 40 DEAB Cc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H]2CCCCNC2=O)s1 71882523 ZMEVTJVNXRLLIH-ZYHUDNBSSA-N 324.450 2.131 0 40 DEAB COC(=O)c1cccc(COC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)c1 71859330 GIPQSWZDWHYNNH-CABCVRRESA-N 314.341 2.054 0 40 DEAB COC(C)(C)CNC(=O)NCc1cn(C)nc1-c1ccccc1 96007856 JBERFMORESWRLK-UHFFFAOYSA-N 316.405 2.311 0 40 DEAB CCn1cnnc1CCNC(=O)C[C@H](C)c1ccccc1C 75140085 RNQPJEPRPIHWAU-AWEZNQCLSA-N 300.406 2.459 0 40 DEAB CCO[C@H](C)C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C 71905570 OPTXCCYRTRCSMV-WBMJQRKESA-N 316.442 2.467 0 40 DEAB COc1cccc(S(=O)(=O)CCSc2nncs2)c1 72079878 APMRLPZGKHASOD-UHFFFAOYSA-N 316.429 2.113 0 40 DEAB CCO[C@H](C)c1nc(C(=O)N[C@H]2CCc3nccn3C2)cs1 72292184 PDMKHNBKCFXSSH-MNOVXSKESA-N 320.418 2.182 0 40 DEAB COc1ccc([C@H]2C[C@H](C)N(c3nc(N)nc4[nH]cnc34)C2)cc1 97115345 WKYBQQZNBPQLSY-JQWIXIFHSA-N 324.388 2.326 0 40 DEAB Cc1ccnc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)c1 72406079 KLYJAWWHWSYNRT-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB CNC(=O)[C@@H]1CCCN(CCOc2ccc(SC)cc2)C1 75721351 GTQNJQUGLNCSLK-CYBMUJFWSA-N 308.447 2.245 0 40 DEAB Cc1noc(C)c1CSc1nnc([C@H]2CCCCO2)n1N 76083576 HZFNMUHGYZWFJP-LLVKDONJSA-N 309.395 2.131 0 40 DEAB O=C(CNc1ccccc1)NCc1cccc(C(=O)NC2CC2)c1 95417939 KOKMDBUDOIXBLD-UHFFFAOYSA-N 323.396 2.307 0 40 DEAB Cn1ccnc1C(=O)NCCSCc1ccnc(Cl)c1 95462229 SYMJHASQCLIVJO-UHFFFAOYSA-N 310.810 2.132 0 40 DEAB O=C(c1nccn2c(Br)cnc12)N1CCCCC1 95455432 QDSRQGNVEOEGCQ-UHFFFAOYSA-N 309.167 2.118 0 40 DEAB O=C1CCCC[C@H]1[C@H]1COCCN1C(=O)/C=C\c1cccnc1 98063063 WURULFGIKLGFIM-YVDRWBGASA-N 314.385 2.082 0 40 DEAB C[C@@H](NCC(=O)Nc1cccnc1)c1ccc2c(c1)CCC(=O)N2 95984509 UPLZXUHTWLQLMU-GFCCVEGCSA-N 324.384 2.256 0 40 DEAB Cc1noc(C)c1CNC(=O)NCc1cccc(CN(C)C)c1 95955223 QOCLWXHONPGQQC-UHFFFAOYSA-N 316.405 2.352 0 40 DEAB CCc1ccc(C(=O)CCC(=O)NCC(=O)NC(C)(C)C)cc1 9917608 QNTZQLLYJNEHAI-UHFFFAOYSA-N 318.417 2.243 0 40 DEAB C[C@H](CS(C)(=O)=O)N(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 110591167 WDVPGJWUIOUAJW-ZOBORPQBSA-N 313.463 2.237 0 40 DEAB CO[C@H](C)[C@@H](C)NC(=O)N1CCC(CN)(c2ccccc2)CC1 1553487736 RNXKQPQZJJGPPZ-HUUCEWRRSA-N 319.449 2.112 0 40 DEAB N[C@]12CC[C@H]1CN(C(=O)NCC1(C(F)(F)F)CCCC1)C2 1553518513 PKNWQDUCRHAOHS-GWCFXTLKSA-N 305.344 2.242 0 40 DEAB Nc1c(Br)cc(S(=O)(=O)O)c2ccccc12 3123050 VHMAXQPOQONGJS-UHFFFAOYSA-N 302.149 2.431 0 40 DEAB biogenic O=C(NCC1CCN(Cc2cccs2)CC1)c1cnccn1 38584361 MCODOKKAIDMQHG-UHFFFAOYSA-N 316.430 2.180 0 40 DEAB CNC(=S)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 35883118 AVNJZKYCMSPOEY-ZJIFWQFVSA-N 305.491 2.386 0 40 DEAB C[C@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 73742894 PRMIPUJUFPKCGW-CYBMUJFWSA-N 314.360 2.362 0 40 DEAB CCOc1ncc(C(=O)N[C@H](C)Cn2ccnc2)cc1Cl 78998901 WKRBIHHGLYKDOP-SNVBAGLBSA-N 308.769 2.149 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 71279646 MCGLCJLHSMOCQN-UONOGXRCSA-N 316.357 2.109 0 40 DEAB Cc1nn(C)c(C)c1-c1nn2c(-c3ccncc3)nnc2s1 36366554 VYCKALXQVIEOBW-UHFFFAOYSA-N 311.374 2.265 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2cccc(-c3cccnc3)n2)C1 72365164 UOQOZPNCIDJPFU-CQSZACIVSA-N 317.414 2.283 0 40 DEAB CC(C)(C)c1noc(-c2ccc(-n3cnc(C(=O)O)c3)nc2)n1 72221293 XLQFSPXWYCERGM-UHFFFAOYSA-N 313.317 2.313 0 40 DEAB CC(=O)c1cc(-c2ccnc(N3CCOCC3)n2)c(C)nc1C 30874223 YOFDSRDWSJGKMR-UHFFFAOYSA-N 312.373 2.195 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NC[C@@H](C)c2ccsc2)C1 74979271 LGXJXSJWDIMNAT-NWDGAFQWSA-N 302.465 2.418 0 40 DEAB O=C(NCc1csc(Br)c1)c1ccc(=O)[nH]c1 41988556 HYZPUCGLRKFHEZ-UHFFFAOYSA-N 313.176 2.129 0 40 DEAB COCCNC(=O)c1sc(NCCc2ccccc2)nc1C 71326519 NZLDYNKFDXSLFG-UHFFFAOYSA-N 319.430 2.482 0 40 DEAB COc1cc(Br)ccc1S(=O)(=O)NC(C)C 41091802 XQAYGRFVBLGVOT-UHFFFAOYSA-N 308.197 2.144 0 40 DEAB COC(=O)[C@H]1CCC[C@@H]1NCc1ccc(Br)o1 225396799 DFXWYUQMONTODO-UWVGGRQHSA-N 302.168 2.473 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 85878948 FFORNRAEJFGTON-LLVKDONJSA-N 323.304 2.231 0 40 DEAB biogenic CN(CC(=O)NC1CC1)C(=O)c1cc(C2CC2)nc2ccccc12 60963059 WHHNQXROYXLZAU-UHFFFAOYSA-N 323.396 2.463 0 40 DEAB O=C(Cc1ccccc1)N1CCC[C@H](C(=O)N2CCCC2)C1 46113102 VEDVVAQCIRQWRJ-INIZCTEOSA-N 300.402 2.090 0 40 DEAB COC(=O)[C@@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccncc1 225485953 WWMKPLVLBWSAQV-BBRMVZONSA-N 312.369 2.232 0 40 DEAB Cc1ccccc1OCc1nc(N)cc(SCC(=O)O)n1 49470119 OTOJPULLFGZOMM-UHFFFAOYSA-N 305.359 2.123 0 40 DEAB COC(=O)c1cc(CN2CCN(C)CC2)cc(C(F)(F)F)c1 575363229 HUNPCFXEHQGDEF-UHFFFAOYSA-N 316.323 2.239 0 40 DEAB Cc1noc(C)c1CNC(=O)c1nn(-c2ccccc2)cc1O 96436222 WZUBQVZRMBDGMI-UHFFFAOYSA-N 312.329 2.113 0 40 DEAB CC(C)(C)NCCNC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 96437218 OULQMMWJXJZMFI-UONOGXRCSA-N 318.417 2.066 0 40 DEAB CC(C)COC[C@H]1CN(CCN2CCCC2)Cc2ncn(C)c21 96068634 XUYOIFBULZRDLY-MRXNPFEDSA-N 320.481 2.088 0 40 DEAB Fc1ccc(NC2CCN(CCCN3CCOCC3)CC2)cc1 96443305 DASINRZNHGFTKR-UHFFFAOYSA-N 321.440 2.424 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)N1CCC[C@H]2CCC[C@@H]21 96440736 HIFMYTVFVODMIL-XHSDSOJGSA-N 310.438 2.404 0 40 DEAB CO[C@H](C)c1nc(CN(C)C(=O)c2c(C)nn(C)c2C)cs1 96455975 WKYGHALGPXMEOC-LLVKDONJSA-N 322.434 2.473 0 40 DEAB C[C@H](C(=O)Nc1nccs1)N1CCO[C@H](c2nccs2)C1 97199830 FUPBFCQMGPIJMY-ZJUUUORDSA-N 324.431 2.000 0 40 DEAB Cc1ccn(Cc2ccc(S(=O)(=O)C(F)F)cc2)c(=O)c1 96447935 NFYVQTXXYMZGSS-UHFFFAOYSA-N 313.325 2.201 0 40 DEAB O=C(c1cnc2n1CCN(CC1CCCC1)C2)N1CCCC1 247858074 LHGLYSMDRUTSFZ-UHFFFAOYSA-N 302.422 2.125 0 40 DEAB CNc1cc(C)nc([C@@H]2COCCN2Cc2cccs2)n1 257246504 IUJLNVDSADLVLZ-ZDUSSCGKSA-N 304.419 2.462 0 40 DEAB Oc1cc(-c2ccncc2)nc([C@@H]2CCCN2c2ncccn2)n1 257338500 YXSMQQPXHOCQDC-AWEZNQCLSA-N 320.356 2.376 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCC(=O)N2Cc2ccco2)C1 252506419 STTNDTBFNOCMLJ-VNHYZAJKSA-N 304.390 2.275 0 40 DEAB CNc1cncc(C2CCN(CC3(O)CCCCC3)CC2)n1 257336836 YQFSQIILQUKYAN-UHFFFAOYSA-N 304.438 2.393 0 40 DEAB CC(C)c1nn(C)cc1NC(=O)N[C@@H](C)C1=CCN(C)CC1 280643543 BLMGEADTNGKMSA-LBPRGKRZSA-N 305.426 2.315 0 40 DEAB O=C(NCC(O)(c1cccs1)c1cccs1)[C@H]1CCOC1 390826694 BEXNIKHFFJTACK-NSHDSACASA-N 323.439 2.198 0 40 DEAB Cn1cc([C@@H]2CN(C(=O)[C@@H]3CCCO3)Cc3ccccc32)cn1 575609272 TYIUDSJYQCAACT-IRXDYDNUSA-N 311.385 2.073 0 40 DEAB Cc1c(Br)cc(Br)c2nc(N)nn12 757128596 GIUSPLOGQUGKJD-UHFFFAOYSA-N 305.961 2.145 0 40 DEAB CC[C@@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)CCO1 65612220 PWZAEJAGKUPYHD-OAHLLOKOSA-N 318.421 2.002 0 40 DEAB O=C1C[C@H](NC(=O)C2(c3ccc(Cl)cc3)CCCC2)CN1 75158268 OQEJDBSLRUPSCC-ZDUSSCGKSA-N 306.793 2.157 0 40 DEAB O=C(O)[C@@H]1CCCCN1C(=O)C[C@H]1CCOc2ccccc21 95424205 DDFIFMZSRIRIMM-OCCSQVGLSA-N 303.358 2.409 0 40 DEAB CCOc1ccc(C(=O)NCc2cn(C)nc2C)cc1OCC 12009409 ZVUOTQKUEDVCHG-UHFFFAOYSA-N 317.389 2.456 0 40 DEAB CCc1nn(CC(=O)OC(C)C)c(=O)c2cc3ccsc3n12 12114292 KOAVVQJMYYZPAW-UHFFFAOYSA-N 319.386 2.225 0 40 DEAB Cc1cc(C)nc(-n2nc(C)cc2OC(=O)c2ccccc2N)n1 14608453 VEZCBUQNLPOHSA-UHFFFAOYSA-N 323.356 2.389 0 40 DEAB CN(C)CCCNC(=O)CSc1ccc2ccccc2n1 16163118 PCTUHPUTPLGLDJ-UHFFFAOYSA-N 303.431 2.395 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206691936 MZNBVGJWDGPXHG-UKRRQHHQSA-N 323.414 2.152 0 40 DEAB CCc1nnc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 15963268 IXIBPNMUROFHPV-UHFFFAOYSA-N 308.363 2.084 0 40 DEAB COc1ccccc1CCNC(=O)c1cc2c(nn1)CCCC2 1888879171 CTOKEZUGQYKKBR-UHFFFAOYSA-N 311.385 2.337 0 40 DEAB O=C(CCSc1n[nH]c(=O)n1C1CC1)Nc1ccccc1 14140620 UKMSOTVVCYAWAE-UHFFFAOYSA-N 304.375 2.027 0 40 DEAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)c(C)o1 38630211 JNSYRGBHNDZYIA-HNNXBMFYSA-N 318.373 2.293 0 40 DEAB C[C@H]1CN(C[C@H](O)c2ccc(Br)cc2)CCO1 61966113 CJMHQFIUPPSYJN-GWCFXTLKSA-N 300.196 2.203 0 40 DEAB Cc1ccc(CNC(=O)c2cnc3sc(C)cn3c2=O)cc1 4505704 ORGXTMKTJONCJJ-UHFFFAOYSA-N 313.382 2.303 0 40 DEAB COC(=O)C1=C(C)N(C)C(=O)C[C@H]1c1ccc(OC)cc1OC 4785095 KBACGBANOLMCJO-ZDUSSCGKSA-N 319.357 2.097 0 40 DEAB CCc1ccccc1NC(=O)Cn1nnc(-c2ccccc2N)n1 414516 UEILZZQBBSLKLD-UHFFFAOYSA-N 322.372 2.123 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2nc(C)cs2)c1 10715601 QTVXGUQAOLTQIR-UHFFFAOYSA-N 306.343 2.256 0 40 DEAB COc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 125758 DLJRENHWYIZKTE-UHFFFAOYSA-N 314.370 2.469 0 40 DEAB Cc1cc(Br)cc(Br)c1OCC(N)=O 142668 VPVWIPCHRPGPFN-UHFFFAOYSA-N 322.984 2.384 0 40 DEAB CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)O 20302033 KJQWUNLTCVDQQZ-NSHDSACASA-N 305.783 2.118 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 100537815 PDGZTZWXZMAORN-NZBPQXDJSA-N 313.353 2.399 0 40 DEAB O=C1CN(c2ccc(NC(=O)c3ccco3)cc2Cl)CCN1 40548642 WEDGLSHYFZEKBW-UHFFFAOYSA-N 319.748 2.122 0 40 DEAB O=C(NC1CC1)c1ccc(CS(=O)(=O)c2ccccc2)o1 2499909 YFADIOLNWHYEMC-UHFFFAOYSA-N 305.355 2.146 0 40 DEAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(C(=O)O)CC3)c2c1 20744462 YQBNJHNBPCWYAN-HNNXBMFYSA-N 316.357 2.399 0 40 DEAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(N)cc(N)n1 422376 XHHJOTHHZCUXSG-SNVBAGLBSA-N 317.418 2.377 0 40 DEAB CCCc1noc(CN2C(=O)[C@@H](C)N(c3ccccc3)C2=O)n1 29626482 LQRZWJSEKWGNPU-LLVKDONJSA-N 314.345 2.379 0 40 DEAB COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)O)c(OC)c1 543551 NZMKKKWZVUJWDB-LBPRGKRZSA-N 310.350 2.325 0 40 DEAB biogenic C[C@H]1CCCC[C@H]1NC(=O)CNc1ccc(F)c(C(N)=O)c1 55850744 OZWWHVWSQRLNLR-IINYFYTJSA-N 307.369 2.031 0 40 DEAB COC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68717460 ZVPORPJFRNTLCK-DTWKUNHWSA-N 302.157 2.386 0 40 DEAB O=C1C[C@H](Cc2ccc(NC(=O)c3ccsc3)cc2)C(=O)N1 104126087 CYBGTEALSUHXCD-LBPRGKRZSA-N 314.366 2.206 0 40 DEAB CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 42396920 SZHSGTCJHPEFLE-NWDGAFQWSA-N 320.389 2.256 0 40 DEAB CCN(Cc1ccco1)C(=O)NCc1nnc2n1CCCCC2 42322355 MPSDPWFZWHKIOJ-UHFFFAOYSA-N 317.393 2.329 0 40 DEAB Cc1cnccc1NC(=O)N1CCO[C@H](c2nccs2)C1 104336201 LYQLJLDAMQLYPM-LBPRGKRZSA-N 304.375 2.452 0 40 DEAB COc1ccc(C(=O)NCc2ccc(C)n2C)c(OC)c1OC 23574632 HGGWIIXHSLVDSL-UHFFFAOYSA-N 318.373 2.289 0 40 DEAB Cn1ncc2c(NCc3cn4cc(Cl)ccc4n3)ncnc21 42677893 SMUDEBZRHIMNSL-UHFFFAOYSA-N 313.752 2.277 0 40 DEAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccs1 24350152 BSEGVCVLPXGVBR-UHFFFAOYSA-N 323.395 2.286 0 40 DEAB Cn1cc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cn1 25305229 PUUFMAQWDBFUBS-UHFFFAOYSA-N 323.278 2.427 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(Br)cc2O)C[C@H](C)O1 44490239 UAIDEYJOBYJOND-IUCAKERBSA-N 314.179 2.404 0 40 DEAB CCC(C)(C)NCC(=O)Nc1ccccc1N1CCOCC1 12542560 VYXXMOKYTBIBNC-UHFFFAOYSA-N 305.422 2.240 0 40 DEAB O=C(NCCCC1CCCC1)NCc1nnc2ccccn12 48022828 GOHVYXHDFMPQOU-UHFFFAOYSA-N 301.394 2.499 0 40 DEAB CN(C)c1ncccc1CNC(=O)c1cc(-c2cccnc2)on1 48252809 MIJXSGRNOYMPCN-UHFFFAOYSA-N 323.356 2.128 0 40 DEAB Cc1cc(CN(C)C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)no1 48253515 VRNHKKVMAUXKQO-ABAIWWIYSA-N 302.330 2.170 0 40 DEAB COc1ncccc1NC(=O)N1CCN(c2ccccc2)CC1 48414565 WOBYMZSLROPUAN-UHFFFAOYSA-N 312.373 2.444 0 40 DEAB OCCN1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 48616189 XLQVFVVDGKZLHP-UHFFFAOYSA-N 321.421 2.059 0 40 DEAB Cc1cc(NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)no1 6110941 WQNRTSNZTXHNFA-UHFFFAOYSA-N 318.358 2.010 0 40 DEAB CCN1CCN(C(=O)c2cc(C3CC3)nc3onc(C)c23)CC1 65447480 HPOKITYTUYWUKZ-UHFFFAOYSA-N 314.389 2.186 0 40 DEAB CCOCc1nn(CC(F)F)cc1I 408716215 KBIZCMIWMVJOII-UHFFFAOYSA-N 316.089 2.289 0 40 DEAB C[C@H](NC(=O)NCc1ccsc1)C(=O)N1CCCC[C@@H]1C 65577262 DKKURXJOKPNJOB-RYUDHWBXSA-N 309.435 2.337 0 40 DEAB COCCN1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 65586361 FIMDZJPMAWKILS-INIZCTEOSA-N 316.445 2.111 0 40 DEAB O=C(COC(=O)c1ccc(O)cc1O)NC1CCCCCC1 6929873 NSOUVOHLZWSBBM-UHFFFAOYSA-N 307.346 2.094 0 40 DEAB CNS(=O)(=O)c1cccc([C@H](C)NCc2ccccc2)c1 67010457 FRNPEYIRLNBPBI-ZDUSSCGKSA-N 304.415 2.446 0 40 DEAB CN(C(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccccc1 7046606 VJXMXDWXSMGMSJ-UHFFFAOYSA-N 314.385 2.359 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](n2ccnc2)C1 69917652 PTSOEDDFLMUQGD-HNNXBMFYSA-N 323.400 2.405 0 40 DEAB COc1ccccc1OCCNC(=O)CN1CCCC[C@H]1C 7525193 JONXRUGQRMUWSW-CQSZACIVSA-N 306.406 2.065 0 40 DEAB Cc1ccc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1F 71186406 OYJRACXAYWURCD-HNNXBMFYSA-N 308.397 2.317 0 40 DEAB Cc1ccc(-c2nc(-c3c(C)ncc4c3CCNC4)no2)cn1 19607196 ZTYZVHLOSBBBOG-UHFFFAOYSA-N 307.357 2.456 0 40 DEAB CCCN(CC(=O)NC)C(=O)C1(c2cccc(Cl)c2)CC1 71821604 GGCNSIGRCYVVEB-UHFFFAOYSA-N 308.809 2.356 0 40 DEAB C/C(=C\C(=O)N1CCCN(C(N)=O)CC1)CCc1ccccc1 71847504 CDLGTNSQUXIBPF-CCEZHUSRSA-N 315.417 2.179 0 40 DEAB Cc1cc(Br)ccc1NC(=O)CN1CCOCC1 19925031 CSQIRZMXVGCRQX-UHFFFAOYSA-N 313.195 2.028 0 40 DEAB Cc1cc(=O)c(C(=O)N2CCO[C@H](c3cccc(F)c3)C2)c[nH]1 89568427 QCSMQWJGRYXEPA-INIZCTEOSA-N 316.332 2.036 0 40 DEAB Cc1nc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)cs1 89709035 NJXNDWYNCOSRBF-UHFFFAOYSA-N 307.350 2.113 0 40 DEAB COc1ccc(CCN2CCN([C@@H]3CCCC[C@@H]3O)CC2)cc1 89888539 MKBIIAGOBMBNHS-MOPGFXCFSA-N 318.461 2.159 0 40 DEAB CC(C)NC(=O)CNC(=O)Cc1cc(Cl)ccc1Cl 72278344 CJOXSSUQLMLPCT-UHFFFAOYSA-N 303.189 2.177 0 40 DEAB COc1ccnc(C(=O)Nc2nnc(-c3ccc(C)s3)[nH]2)c1 72286644 ASTWXWHPWLCGSH-UHFFFAOYSA-N 315.358 2.498 0 40 DEAB O=C(NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1 89963411 RPRPBFOMTATLBP-CVEARBPZSA-N 316.426 2.113 0 40 DEAB Cc1cnc(CN2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cn1 84258420 CIJHFLWLZPKKJQ-CQSZACIVSA-N 306.410 2.226 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2Cn2ccnc2C)cc1 72300192 KAXIXYVMCZAJCF-HNNXBMFYSA-N 319.430 2.353 0 40 DEAB CSCCCNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 97231148 WQAATZZDCDCHGV-HNNXBMFYSA-N 308.447 2.393 0 40 DEAB O=C(CCn1cccn1)NC[C@H](O)c1cc2ccccc2s1 95417063 MWMPJRDLKNKUDE-ZDUSSCGKSA-N 315.398 2.338 0 40 DEAB CC(C)(C)c1ncc(NC(=O)NC[C@@](C)(O)c2ccco2)cn1 95403868 ARFWOIHMOZMHLL-MRXNPFEDSA-N 318.377 2.396 0 40 DEAB O=C(c1cnn(CCN2CCCCC2)c1)N1C[C@@H]2CCC[C@H]2C1 95410765 VSILUGHFGOPLJV-HOTGVXAUSA-N 316.449 2.241 0 40 DEAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@@H](C2OCCO2)C1 95978458 UTGHBWAFHACGQW-BXUZGUMPSA-N 321.421 2.132 0 40 DEAB CN1CC[C@@H](C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)CC1=O 95954689 UBVXJKGUKCUJDB-ZBFHGGJFSA-N 300.402 2.465 0 40 DEAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)CSCCCc1ccccc1 78947136 HMNHVAUGUILJAC-HUUCEWRRSA-N 320.458 2.123 0 40 DEAB Cc1ccc(C(F)(F)F)cc1NC(=O)N[C@H]1CCC(=O)NC1 78973310 JIOSAUXUZRSRPL-JTQLQIEISA-N 315.295 2.414 0 40 DEAB O=C(NC1CC1)c1cc(=O)c(OCc2ccccc2Cl)c[nH]1 61719191 QBYHFFDOYSRXRU-UHFFFAOYSA-N 318.760 2.500 0 40 DEAB O=C(O)c1cc(C2CCN(C(=O)c3ccccc3)CC2)no1 1548597510 LBKKTVBTCYPYEL-UHFFFAOYSA-N 300.314 2.393 0 40 DEAB COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 170343669 OHUGTNNENFLGCM-IUODEOHRSA-N 304.390 2.006 0 40 DEAB Cc1cc2occ(CC(=O)NN3CCN(C)CC3)c2cc1Cl 39892739 PMOQWLPGIPHAPY-UHFFFAOYSA-N 321.808 2.216 0 40 DEAB O=C(O)c1cccc(CN2CCC[C@H](n3ccnn3)C2)c1Cl 516932228 GJZBMEYDUUUTDV-LBPRGKRZSA-N 320.780 2.467 0 40 DEAB O=C(O)c1cccc(CNS(=O)(=O)CC23CCC(CC2)C3)c1 520912913 LEZHFDUNIRFGKB-UHFFFAOYSA-N 323.414 2.385 0 40 DEAB Cc1cc2nnc(SCC(=O)c3ccc(F)cc3)n2c(N)n1 35315133 XJJFNYOVWFXRMU-UHFFFAOYSA-N 317.349 2.129 0 40 DEAB COc1cc(N2CCN(c3ccccc3Cl)CC2)ncn1 120380251 PCTQGQXWYJAKOP-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB Cc1ncc(C(=O)N2CCC(Cc3ccccc3)CC2)c(N)n1 532869290 HTRWSIJYYBVXSM-UHFFFAOYSA-N 310.401 2.462 0 40 DEAB O=C(CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1)N1CCC1 40543183 SPHQSJMJVMKMHN-UHFFFAOYSA-N 322.213 2.141 0 40 DEAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(C2CC2)no1 123457288 MGOYKJAAAPFVBO-UHFFFAOYSA-N 312.304 2.358 0 40 DEAB O=C(Nc1cn[nH]c1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 40512154 BXEWXWMZKJZCRX-SECBINFHSA-N 304.737 2.055 0 40 DEAB Cc1nccn1-c1cncc([C@@H]2CCCN2C2CCOCC2)n1 72378810 CFJNXADQYXTHRL-INIZCTEOSA-N 313.405 2.287 0 40 DEAB CCCC(=O)Nc1cccc(N2C[C@H](C(=O)OCC)CC2=O)c1 45953963 PJZYZWKKRXFTJO-GFCCVEGCSA-N 318.373 2.341 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)NC(CC)CC)ccc21 224381880 AAPYGAHJPDVTPV-UHFFFAOYSA-N 324.446 2.453 0 40 DEAB Cc1c[nH]cc1C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1 566094015 RRIQAPSTYYZACD-LLVKDONJSA-N 303.328 2.327 0 40 DEAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccccc1F 224272894 ZCSNVWVXXIDACP-UHFFFAOYSA-N 322.365 2.017 0 40 DEAB Cn1nc(C(=O)NCC2CCCC2)cc1NC(=O)c1ccco1 46088970 LLQIQGAPDRQUFO-UHFFFAOYSA-N 316.361 2.185 0 40 DEAB Cc1cccc(CN2C[C@@H]3CN(C(=O)NC(C)C)C[C@@H]3C2=O)c1 96245280 VFQSWCFHAYZHIY-CVEARBPZSA-N 315.417 2.003 0 40 DEAB O=C(Cc1ccccn1)N1CCC2(CC1)CC(N1CCCC1)C2 96159227 ONCZEHOLWXWWDE-UHFFFAOYSA-N 313.445 2.491 0 40 DEAB CCCCS(=O)(=O)N(Cc1ccco1)C1CCN(C)CC1 96427669 JWIHQSREODBEAF-UHFFFAOYSA-N 314.451 2.306 0 40 DEAB CSCCc1ccc(NC(=O)NCC[S@@](C)=O)cc1 96434578 IKVMGDXIJCZJDJ-IBGZPJMESA-N 300.449 2.092 0 40 DEAB Cc1nc(CNC(=O)NC[C@@H]2SCCc3ccccc32)no1 96455115 MKYWQJAEKYCWEI-ZDUSSCGKSA-N 318.402 2.208 0 40 DEAB CCOC(=O)c1nc(-c2ccc(N3CCCCC3)nc2)no1 98086538 OVDCUKZEABEPJH-UHFFFAOYSA-N 302.334 2.299 0 40 DEAB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238789 ZVSLYSIZAVCWMM-KRWDZBQOSA-N 319.380 2.373 0 40 DEAB c1cncc(CO[C@H]2CC[C@H]3[C@@H]2OCCN3C2CCOCC2)c1 96041375 DYCUDVPTZGCWAP-BZSNNMDCSA-N 318.417 2.009 0 40 DEAB c1ccc(O[C@@H]2CCN(Cc3cccnc3)[C@H]3CCO[C@@H]32)nc1 96220619 SUIKWTMIBBHJFE-JZXOWHBKSA-N 311.385 2.287 0 40 DEAB O=C(c1cccnc1)N1CCN(CC2CC2)c2ncccc2C1 96060980 DVYZFRWCPFTZGJ-UHFFFAOYSA-N 308.385 2.349 0 40 DEAB Cc1ccccc1CNC(=O)C(=O)NCCCc1ccccc1 242774765 DTZPJDBNOKSJGB-UHFFFAOYSA-N 310.397 2.360 0 40 DEAB COc1ccc(C(=O)N2CCO[C@H](c3ccnc(C)c3)C2)cn1 257304389 SLJSETKANQLAGK-HNNXBMFYSA-N 313.357 2.007 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccncc2)[C@H](c2ccccc2)C1 257270119 MSVZBUXDMOATFW-KRWDZBQOSA-N 309.369 2.127 0 40 DEAB O=C(NCc1cnc([C@H]2CCCCO2)nc1)c1cncs1 257314572 UXNXJFXOHJJVPL-LLVKDONJSA-N 304.375 2.105 0 40 DEAB Cc1nccc([C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 257240856 HVLOABNIKJNGOT-LBPRGKRZSA-N 309.416 2.372 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](OCc3cncc(C)c3)CCO2)C1 575405964 VWCFZFLHJSNRHS-INIZCTEOSA-N 318.417 2.467 0 40 DEAB COc1ccc(CN2CC[C@H]2C(=O)N2CCCSCC2)cc1 585140593 HNRZLMBFCCXCGP-INIZCTEOSA-N 320.458 2.235 0 40 DEAB Cc1cc(C(=O)N2CC[C@](O)(COc3ccccc3)C2)ccn1 585277224 NIGJPCSQAHYGOX-GOSISDBHSA-N 312.369 2.046 0 40 DEAB c1ccc2c(c1)C[C@H](CNCc1cnc(N3CCCC3)nc1)O2 48709924 OUNRAVCCQMOZCV-MRXNPFEDSA-N 310.401 2.170 0 40 DEAB CC(C)NC(=O)[C@H](C)ONC(=O)c1cccc(C(F)(F)F)c1 58008779 IAIUOQIWLQTDSM-VIFPVBQESA-N 318.295 2.280 0 40 DEAB COc1ccc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)cc1 58342838 XVVZNIKWUGJOPA-CYBMUJFWSA-N 321.398 2.271 0 40 DEAB CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(C)n2)C1 97378670 CDAROBPNPWSUGU-CYBMUJFWSA-N 304.394 2.303 0 40 DEAB COc1ccccc1CC(=O)NCc1nc(O)c2ccccc2n1 552142287 RMQQKZDOGBVWMB-UHFFFAOYSA-N 323.352 2.203 0 40 DEAB C[C@@H](NCc1ccnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 97234108 LXXLCRKSJPJKPN-TZMCWYRMSA-N 308.426 2.298 0 40 DEAB O=C(NN1C(=O)CS[C@H]1c1ccccc1F)c1ccncc1 5767538 ARLZSYPHXCQPAS-HNNXBMFYSA-N 317.345 2.140 0 40 DEAB CC(=O)Oc1cc(OC(C)=O)c(OC(C)=O)c2c1CCCC2 16943356 FNTAFVLDSIQFTF-UHFFFAOYSA-N 306.314 2.341 0 40 DEAB COc1ccc(CN(Cc2ccccn2)C[C@H](C)O)cc1OC 19456011 KTZWJKYYBREFIE-AWEZNQCLSA-N 316.401 2.482 0 40 DEAB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cnccn1 4109962 WBZBEHAKWVAIIC-WDZFZDKYSA-N 300.343 2.208 0 40 DEAB COc1cncc(O[C@@H]2CCN(C(=O)CC3CCCCC3)C2)n1 225392056 YDJJBKHIKFTCTI-CQSZACIVSA-N 319.405 2.435 0 40 DEAB Cc1nc(C)n(C2CN(C(=O)Cc3cccc(C)c3Cl)C2)n1 579949760 SUBDAEOLTQQSFB-UHFFFAOYSA-N 318.808 2.483 0 40 DEAB O=C([C@H]1CCOC1)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238920921 TVYDTJNYRUQWHF-QWRGUYRKSA-N 319.386 2.151 0 40 DEAB O[C@]1(c2ccc(F)cc2)CC[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 2038118202 KCPSQJOHUBGOAU-KNCCTNLNSA-N 305.393 2.392 0 40 DEAB Cc1cccc(CN2CC[C@H]3[C@H](CC(=O)N(C)C)OC[C@H]3C2)c1 1565553404 XRBCZSQWZIDWGQ-KURKYZTESA-N 316.445 2.310 0 40 DEAB O=C(COC(=O)[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 131976 AQFVAVKJJMDXDF-NSHDSACASA-N 317.263 2.366 0 40 DEAB CCCOc1ccc(N2C(=O)C[C@@H](NCC(C)C)C2=O)cc1 20130929 MSJNRQSHRHFQFE-OAHLLOKOSA-N 304.390 2.353 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@H]2C3)cc1OC 454425 MFGSUSCNDZQBPD-MDZLAQPJSA-N 311.403 2.171 0 40 DEAB COc1ccccc1NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 36390130 SLSVLNGFRPCVQJ-BFHYXJOUSA-N 321.421 2.314 0 40 DEAB Cc1ccc(OCCNC(=O)CCc2c(C)nn(C)c2C)cc1 31241588 DSUBAULPVVOVRA-UHFFFAOYSA-N 315.417 2.473 0 40 DEAB Cc1cc(C)n(-c2ccc(NC(=O)N3CCSCC3)cn2)n1 40540925 HOKWMUXQJPWIKJ-UHFFFAOYSA-N 317.418 2.465 0 40 DEAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1cccc(Cl)c1 3468017 AWDPDZRBBUGTSA-VIFPVBQESA-N 311.721 2.098 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cccc(N2CCCC2=O)c1 31779432 ZVCITCFHXSJJMZ-UHFFFAOYSA-N 313.357 2.348 0 40 DEAB C[C@@H](NCc1cn(C)nc1-c1cccnc1)[C@@H](C)n1cccn1 69376014 YCSSBRGDVQSNIO-ZIAGYGMSSA-N 310.405 2.418 0 40 DEAB COCCNC(=O)Nc1ccc(N2CCSCC2)cc1C 51673661 KSANDLDYKFWOLB-UHFFFAOYSA-N 309.435 2.316 0 40 DEAB O=C(O)[C@@H]1[C@H]2c3ccccc3C(=O)[C@@]1(C(=O)O)c1ccccc12 102913271 PJNAHQDXNCOGAI-SUNYJGFJSA-N 308.289 2.052 0 40 DEAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)Cc1cccs1 21017966 LNKOSJUUJWHVGE-CQSZACIVSA-N 301.367 2.329 0 40 DEAB CNC(=O)c1ccc(CNC(=O)N(C)Cc2ccccc2)cc1 45656517 WBFCPLOULUSLCZ-UHFFFAOYSA-N 311.385 2.388 0 40 DEAB Cc1cc(Cl)ccc1OCCCC(=O)N1CC[C@H](C(N)=O)C1 41128018 WTGVVLUWXAUJES-LBPRGKRZSA-N 324.808 2.141 0 40 DEAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NC[C@H]1CCCO1 21555465 MLOBDMHYYCXMQK-MRXNPFEDSA-N 313.401 2.457 0 40 DEAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1Br 8783428 JMZBAAHMLPZYDW-WPRPVWTQSA-N 318.192 2.246 0 40 DEAB Cc1cc(C)n(CCCNC(=O)Nc2ccc3c(c2)OCO3)n1 32869813 PZNKUZBURDIXEZ-UHFFFAOYSA-N 316.361 2.440 0 40 DEAB CCn1ncc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 102597282 LQTDTJWFWHSHQS-SAXRGWBVSA-N 311.451 2.314 0 40 DEAB O=C(O)COc1cccc(NC(=O)COc2ccccc2)c1 8189128 NJWDICZRAVRWAI-UHFFFAOYSA-N 301.298 2.168 0 40 DEAB Cc1nn2c(=O)c(CCO)c(C)[nH]c2c1-c1ccc(Cl)cc1 9935356 KFGXOQQCHINGED-UHFFFAOYSA-N 317.776 2.495 0 40 DEAB C[C@@H]1[C@@H](NC(=O)CCC(=O)NCc2ccccn2)CCC[C@H]1C 103139015 IYLTVKSYFBUDOC-YCPHGPKFSA-N 317.433 2.419 0 40 DEAB Cc1cc(NC(=O)CNc2ccc(-n3cccn3)c(F)c2)no1 54391655 IXSMIXNHNMDWLQ-UHFFFAOYSA-N 315.308 2.358 0 40 DEAB C[C@H](Sc1nnc(C2CC2)n1N)C(=O)N[C@H]1CCCC[C@@H]1C 104713609 LGKPNXIMACZUTC-NHCYSSNCSA-N 323.466 2.045 0 40 DEAB CCCC(=O)Nc1ccc(CN2C(=O)[C@@H](C)NC2=S)cc1 55178903 LQUJMABAYZQZRV-SNVBAGLBSA-N 305.403 2.030 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@@H]1CC(=O)Nc2ccccc21 24992191 FEXQWEAPRYLZRH-IUODEOHRSA-N 324.384 2.040 0 40 DEAB CC(C)CO[C@H](C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 55404164 JGDBOVQBYZUKKJ-MRVPVSSYSA-N 306.284 2.393 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H]3O[C@@H](COCC(C)C)CC[C@@H]32)no1 107206348 CQNCGRXFDFHHHW-KBMXLJTQSA-N 322.405 2.418 0 40 DEAB CCN(CC)C(=O)Cc1ccc(NC(=O)N(C)CCOC)cc1 56590655 MGHNMZVIDZMRFB-UHFFFAOYSA-N 321.421 2.208 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(C3CC3)cs1)CS2 26050432 WBWIRTCRFMGIJR-YGRLFVJLSA-N 323.443 2.413 0 40 DEAB CCNC(=O)[C@H](C)N[C@H](C)CC(=O)Nc1ccc(Cl)cc1 8328518 CFYIORFWSJOTBA-MNOVXSKESA-N 311.813 2.171 0 40 DEAB C[C@@H](NC(=O)Cn1c(-c2ccccc2)cc2ccccc21)C(N)=O 10100314 USRQINZNVNDGRR-CYBMUJFWSA-N 321.380 2.298 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 58304617 CAOICYKPDSATGX-HNNXBMFYSA-N 317.433 2.129 0 40 DEAB CC(C)CCN1CCN(Cc2nnc(-c3ccco3)o2)CC1 47869523 YREBUMROBJKVAU-UHFFFAOYSA-N 304.394 2.493 0 40 DEAB O=C(COC(=O)C1CCCCC1)NC(=O)NCc1ccccc1 3351783 WRRKTIQSADMBHL-UHFFFAOYSA-N 318.373 2.136 0 40 DEAB COC(=O)c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 69420940 MPKGEJPNPTYXGG-INIZCTEOSA-N 316.401 2.174 0 40 DEAB O=C(NCCCOCc1ccco1)c1ccc2c(c1)OCO2 48264340 LQYSZLSYNGDYOT-UHFFFAOYSA-N 303.314 2.345 0 40 DEAB CCC(=O)Nc1ccc(C(=O)Cn2nnnc2C(C)(C)C)cc1 48302060 PANLZGSTQOUDSQ-UHFFFAOYSA-N 315.377 2.202 0 40 DEAB Cc1ccc(NC(=O)COC(=O)[C@H]2CSCCS2)cc1 3446071 NCHMEDVQCISGDS-GFCCVEGCSA-N 311.428 2.325 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1ccccc1F)c1ccccc1 69567855 BTDSTUOTRKQYQR-MRXNPFEDSA-N 301.317 2.399 0 40 DEAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1 8508099 UJVPMIOHLQDVQQ-YPMHNXCESA-N 319.434 2.348 0 40 DEAB Cc1cnn(C[C@H](C)NCC(=O)NCCC2=CCCCC2)c1 69700121 CRQCINYEJXADAH-HNNXBMFYSA-N 304.438 2.176 0 40 DEAB Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc[nH]3)CC2)cc1 69705206 SCMSPNOWZCTMGB-UHFFFAOYSA-N 311.385 2.358 0 40 DEAB Cc1cccc(NS(=O)(=O)c2ccc3nnc(C)n3c2)c1 65198925 CQGJAYFDCBUUCG-UHFFFAOYSA-N 302.359 2.147 0 40 DEAB COc1ccc(F)cc1CS[C@@H](C)C(=O)N1CCNC1=O 69813870 QAJWQSZGGTUNHU-VIFPVBQESA-N 312.366 2.008 0 40 DEAB CCC(CC)NC(=O)Cc1c(C)nc2nc(SC)nn2c1C 8877383 LKYKOIAMILLOCQ-UHFFFAOYSA-N 321.450 2.310 0 40 DEAB C[C@H](CCc1ccco1)N[C@H]1CCCN(c2ccn(C)n2)C1=O 90115981 AJVUUMTZESNQJS-HIFRSBDPSA-N 316.405 2.119 0 40 DEAB Cc1cc(C(=O)O[C@H](C)C(N)=O)c(C)n1Cc1ccccc1 7575201 DUOVSOKTJFEMLH-CYBMUJFWSA-N 300.358 2.184 0 40 DEAB CCOc1ncccc1C(=O)Nc1ccnn1Cc1ccccn1 7778859 MAYSDNCNHFHNSC-UHFFFAOYSA-N 323.356 2.372 0 40 DEAB COc1cc(C(=O)OCc2cc(C)on2)cc(OC)c1OC 7755219 DWGADNHPXPRZPL-UHFFFAOYSA-N 307.302 2.366 0 40 DEAB C[C@@H](CNC(=O)CCc1ccccc1Cl)N1CCN(C)CC1 71867469 KLJUMIKHSYRVKN-AWEZNQCLSA-N 323.868 2.025 0 40 DEAB C[C@@H](NC(=O)c1ccc(=O)[nH]n1)C12CC3CC(CC(C3)C1)C2 9646169 JXBAWRFNKSVWGC-LKBWSCCASA-N 301.390 2.105 0 40 DEAB O=C(NCC1CCC1)C(=O)Nc1ccnn1C1CCCCC1 71920379 JCXASZDXHWDHFX-UHFFFAOYSA-N 304.394 2.243 0 40 DEAB Cc1ccc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c(=O)[nH]1 75118625 BLSHQFQVDQJIGK-HNNXBMFYSA-N 316.332 2.036 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](c3nncn3C)C2)o1 89652406 NXUVIBMIINYAAE-CHWSQXEVSA-N 317.393 2.367 0 40 DEAB CC(C)[C@](C)(O)CNS(=O)(=O)c1ccc(F)cc1Cl 89791188 ZJBHRJDLXCJPCM-GFCCVEGCSA-N 309.790 2.164 0 40 DEAB c1nc(N2CCCC[C@@H]2CN2CCOCC2)c2ccsc2n1 89885388 ISYZINDCZITPNH-CYBMUJFWSA-N 318.446 2.382 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CCn3ccnn3)C2)sc1C 72297444 XXYNANDFZGGSOE-CYBMUJFWSA-N 319.434 2.148 0 40 DEAB O=C1[C@@H](NC[C@@H]2CCCn3ccnc32)CCN1c1ccccc1 89845607 LHRMDPPDGZJSCV-HOCLYGCPSA-N 310.401 2.156 0 40 DEAB CC(C)(CN[C@H]1CCC[C@H]1S(C)(=O)=O)CC1CCOCC1 97033391 MVFUTTXTDKQTHE-LSDHHAIUSA-N 317.495 2.385 0 40 DEAB O=S(=O)(C[C@H](O)C(F)(F)F)[C@H]1CCc2c(F)cccc21 97378005 UZFSVNMELVNRDT-QWRGUYRKSA-N 312.284 2.151 0 40 DEAB CC(=O)Nc1ccc(/C=C/C(=O)N[C@H](CC(C)C)C(=O)O)cc1 95427729 AZNVGACASLTPQH-RZIFZGNASA-N 318.373 2.274 0 40 DEAB O=C(NC[C@@H]1CCC[C@H]1O)c1ccccc1OC(F)(F)F 95985918 XZPCINSOLLAXOQ-GXSJLCMTSA-N 303.280 2.476 0 40 DEAB CCOC(=O)c1nnc2ccccc2c1N1C[C@H](C)O[C@H](C)C1 77898895 HYHXWNWDAGMSDD-TXEJJXNPSA-N 315.373 2.420 0 40 DEAB COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC 85877347 SPEQKETVBYHXBU-LLVKDONJSA-N 315.325 2.142 0 40 DEAB biogenic COCCN(Cc1cc(=O)n2cc(C)ccc2n1)C1CCCC1 78519900 ZEJNHOSWJSXECD-UHFFFAOYSA-N 315.417 2.394 0 40 DEAB Cn1cnn(CN2CCC[C@@H]2COc2ccccc2)c1=S 78808648 AYZXFVDCWRUEKP-CYBMUJFWSA-N 304.419 2.452 0 40 DEAB O=C(Cn1ccc(=O)cc1Cl)N[C@@H]1CCOc2ccccc21 78991242 UZUMWCFQNRSOGF-CYBMUJFWSA-N 318.760 2.142 0 40 DEAB O=C(O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 37359295 AETUWZOWSACGEX-NSHDSACASA-N 305.252 2.043 0 40 DEAB biogenic CCC(NC(=O)N1CCOCC1)(C(F)(F)F)C(F)(F)F 1000993 JMCADYVYWBIIPK-UHFFFAOYSA-N 308.222 2.302 0 40 DEAB biogenic CO[C@]12CCC[C@@]1(C(=O)N1C[C@H](C(F)F)C3(CC3)C1)CCO2 1553164498 AJIRJESPHGHUKA-RLCCDNCMSA-N 315.360 2.423 0 40 DEAB Cc1cs/c(=N\c2ccc(C(N)=O)cc2)n1[C@H]1CCOC1 211243574 SXOKPJHBNCZSDW-PERWBAPNSA-N 303.387 2.151 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C)C3)C2=O)cc1 33935971 CQAJQFNBTOERDU-SWLSCSKDSA-N 302.374 2.059 0 40 DEAB CC(=O)NC[C@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)O1 41178640 RSQBEZJFAHRIHI-NSHDSACASA-N 302.252 2.167 0 40 DEAB C[C@@]1(C(=O)Nc2ccon2)Oc2ccc(Cl)cc2NC1=O 41550281 ZMORHRMWSXKBQQ-CYBMUJFWSA-N 307.693 2.056 0 40 DEAB O=C(Cn1nnc2c1CCCC2)N1CC[C@H](Cc2ccccc2)C1 573980289 SWVLIYXDWGBKLT-MRXNPFEDSA-N 324.428 2.248 0 40 DEAB Cc1cccnc1NC(=O)CCN=c1nc(CC(C)C)[nH]s1 521395263 MIDBUFWUKQSDCD-UHFFFAOYSA-N 319.434 2.303 0 40 DEAB COc1ccc([C@H](C)NC(=O)N[C@@H](C(=O)O)C2CC2)cc1F 571977379 GCRLVHMEQNXABM-ISVAXAHUSA-N 310.325 2.058 0 40 DEAB CN(C(=O)NCCC(=O)Nc1cccnc1)c1ccc(F)cc1 195576855 QVVYDDHEQQOBMC-UHFFFAOYSA-N 316.336 2.395 0 40 DEAB C[C@@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)Cn1cccn1 97234587 BXTIMIFJHXLCLM-ZFWWWQNUSA-N 316.409 2.179 0 40 DEAB N[C@@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 95466792 IVXCZCZTIFLMJS-DLBZAZTESA-N 314.385 2.487 0 40 DEAB Cc1ccc([C@@H]2CCCCN2C(=O)CSCC(N)=O)cc1 96423821 CZUPPNJZLJNYCD-AWEZNQCLSA-N 306.431 2.267 0 40 DEAB O=C(CCCn1cccc1)N[C@@H]1CCN(c2ncccc2F)C1 96494422 QDLCWBKYIFRWBR-CQSZACIVSA-N 316.380 2.198 0 40 DEAB C[C@@H]1c2ncc(Cn3cncn3)n2CCN1Cc1ccsc1 96201272 LOWIQHVYDANHQJ-GFCCVEGCSA-N 314.418 2.161 0 40 DEAB COC[C@H]1c2c(cnn2CC2CC2)CCN1C(=O)c1ccoc1 96197862 CRNCYULFVADJPP-HNNXBMFYSA-N 315.373 2.272 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H]1O 257300698 RVITTXUZTZSTDE-JHJVBQTASA-N 317.307 2.364 0 40 DEAB Cc1nccc([C@H]2CN(C(=O)Cc3ccc(F)cc3)CCO2)n1 257265461 LYTLYRXVDQQTIW-MRXNPFEDSA-N 315.348 2.067 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccn2C)[C@@H](c2ccccc2)C1 257228039 FSARXMLEOGJROK-QGZVFWFLSA-N 311.385 2.071 0 40 DEAB O=C(NCc1nccnc1-c1cccs1)NC[C@H]1CCCO1 575607162 ZHJJOLYVYYTCMD-LLVKDONJSA-N 318.402 2.183 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CC[C@@]2(C)C[C@H](O)CC[C@@H]12 585290666 SODQQRSZIJYKLL-BQBKKAAYSA-N 317.433 2.202 0 40 DEAB O=C(c1[nH]nc(C2CC2)c1Br)N1CCSCC1 49158770 CHTDHCJHOXQOOA-UHFFFAOYSA-N 316.224 2.239 0 40 DEAB Cc1ccc2nc(CNC(=O)NCc3c(C)noc3C)cn2c1 67762792 KZFPWJJPFIXROU-UHFFFAOYSA-N 313.361 2.247 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cccn1 70039868 IZGRRUJZKDZECR-BXUZGUMPSA-N 302.378 2.283 0 40 DEAB O=C(N[C@H]1CCC[C@@H]1n1ccnc1)c1cc2ccccc2c(=O)[nH]1 75141853 LXSNSQYZRRMLKK-HOCLYGCPSA-N 322.368 2.248 0 40 DEAB Cc1ccc(O)c(CN2CCNC(=O)[C@H]2c2ccccc2C)n1 97139378 ZRASVGAZWVRXBD-QGZVFWFLSA-N 311.385 2.077 0 40 DEAB Cc1cc(Br)cnc1N1CCC[C@@H](OCCO)C1 195538703 MRKBBNAWUGPNTG-GFCCVEGCSA-N 315.211 2.130 0 40 DEAB O=C(O)[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 13434648 TWPAUDBKSOGDPY-CQSZACIVSA-N 301.273 2.318 0 40 DEAB O[C@@H]1C[C@@H](c2nc(-c3ccc(F)cc3)no2)N(CC2CC2)C1 15674947 FXSBDNYJIQPGGD-KGLIPLIRSA-N 303.337 2.393 0 40 DEAB biogenic,in-vitro C[C@](O)(CNC(=O)Cc1cccnc1)c1ccccc1Cl 155865384 HUQIMAQQTZFTGC-INIZCTEOSA-N 304.777 2.301 0 40 DEAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 101273879 LLVDCURASQBTHW-CYBMUJFWSA-N 321.398 2.232 0 40 DEAB COC[C@H]1CN(C(=O)c2c(C)cccc2F)Cc2cn(C)nc21 1565548782 JNPHYSUXVSELEC-CYBMUJFWSA-N 317.364 2.254 0 40 DEAB CCCS(=O)(=O)N1CCc2ccc(NC(=O)C3CC3)cc2C1 11613160 GVWXIOIJOXZTFI-UHFFFAOYSA-N 322.430 2.133 0 40 DEAB Cc1ccc2nc(C)c(NC(=O)COc3ccccc3)c(=O)n2c1 12180761 PSPGEUJAYKDZJF-UHFFFAOYSA-N 323.352 2.329 0 40 DEAB Cc1nc(C)c(C(=O)NC2CCN(c3cnsn3)CC2)s1 585148685 BHGSOOAFGZRFKN-UHFFFAOYSA-N 323.447 2.010 0 40 DEAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1 585389667 JAILGODSDKZTTI-LBPRGKRZSA-N 323.393 2.128 0 40 DEAB COc1cccc2cc(C(=O)N3CC(Nc4cccnn4)C3)oc12 618256201 OPOYRKMISRPFAK-UHFFFAOYSA-N 324.340 2.168 0 40 DEAB C[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)[C@H]1C[C@H]2CC[C@H]1C2 106541144 LLUWSSBRQOQBJF-OSXBGFENSA-N 322.474 2.381 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc32)n(C)n1 43435731 FZEVVVBAFPYOTL-CYBMUJFWSA-N 313.405 2.301 0 40 DEAB Cc1nnc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)s1 43412320 IDRQGMKXVZDMEB-GFCCVEGCSA-N 323.397 2.410 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)N[C@@H]1CCOc2ccccc21 56794009 DEHLHAXTKPKMPJ-GXTWGEPZSA-N 319.405 2.114 0 40 DEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)cc1)CC(=O)N2 4944438 HZIVVQVYPMTJBM-SNVBAGLBSA-N 317.370 2.062 0 40 DEAB COc1ccc([C@](O)(CS(C)(=O)=O)c2cccs2)cc1 6411510 ZGIPONCSRTZVIX-CQSZACIVSA-N 312.412 2.037 0 40 DEAB CC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 7642673 XDWYYYXXHJMNJK-UHFFFAOYSA-N 322.320 2.124 0 40 DEAB COc1ccc(NC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)cc1OC 58161427 YMXKYVOXYVRLBM-OLZOCXBDSA-N 301.346 2.180 0 40 DEAB COc1c2c(cc3c1[C@@H](C[C@H](O)C(C)C)N(C)CC3)OCO2 2159666 YOXGNJRAWXKDHZ-OLZOCXBDSA-N 307.390 2.360 0 40 DEAB biogenic COc1ccc2c(CSc3nncn3C)cc(=O)oc2c1 3347853 XAHKOJIWXHWLET-UHFFFAOYSA-N 303.343 2.222 0 40 DEAB COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 58224951 RIGSHIPWEYHROU-YRGRVCCFSA-N 320.389 2.330 0 40 DEAB COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCCCC1 58282396 STFKTMGRDVIUCD-UHFFFAOYSA-N 317.794 2.301 0 40 DEAB COc1cccc([C@@H](NC(=O)N2CCCC2)c2nccn2C)c1 44909122 LHAMAQOUFQQAHP-OAHLLOKOSA-N 314.389 2.324 0 40 DEAB O=C(CN1Cc2ccccc2-c2ccccc2C1)N1CCNC1=O 58329615 DGPKHAZEKWCAQQ-UHFFFAOYSA-N 321.380 2.221 0 40 DEAB C[C@H](C(N)=O)S(=O)(=O)Cc1ccccc1Oc1ccccc1 46114853 RSSIQNCVEFLQPQ-GFCCVEGCSA-N 319.382 2.268 0 40 DEAB Cc1ccccc1CCNC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 29760464 UUDJOXLZZIPRLL-MRXNPFEDSA-N 302.418 2.158 0 40 DEAB CN(Cc1ccsc1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 29977394 QAMJPESGDOLHRD-UHFFFAOYSA-N 316.382 2.228 0 40 DEAB O=C(NCc1ccncc1)c1cc(Cl)c2c(c1)OCCO2 12551956 FYBYRHJECDPABC-UHFFFAOYSA-N 304.733 2.436 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)NC[C@H]1CCOC1 48265324 WXBXCIVDIGHVDY-CYBMUJFWSA-N 319.405 2.239 0 40 DEAB C[C@@H](CNC(=O)COCC(F)(F)F)N(C)c1ccccc1 48285899 MOAZFXIXXOJXKN-NSHDSACASA-N 304.312 2.206 0 40 DEAB Cn1nc(C(C)(C)C)cc1NC(=O)CSc1ncccn1 48340900 PPUVIDTWDCBHIT-UHFFFAOYSA-N 305.407 2.238 0 40 DEAB Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)CCC4)nc2n1 3450497 KUGUAXFJUWRFMQ-UHFFFAOYSA-N 307.357 2.482 0 40 DEAB Cc1cccc[n+]1CCCN1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 101612499 BLVBTWMDWYRUEH-GJZGRUSLSA-N 319.812 2.190 0 40 DEAB Fc1ccc(F)c(CNCc2cccnc2-n2cncn2)c1 48713099 ZLQJGCXWCHCKIP-UHFFFAOYSA-N 301.300 2.230 0 40 DEAB CCN(CCNC(=O)c1cc(C)nn1C)c1ccccc1C 65401496 JOOBXOQMASAOMR-UHFFFAOYSA-N 300.406 2.293 0 40 DEAB O[C@@H](COc1ccccc1)CN1CCC(c2cn[nH]c2)CC1 65590170 MWWLDMXWYHUCII-MRXNPFEDSA-N 301.390 2.029 0 40 DEAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)on2)cc1 14170036 UYSNAKIXKQAHRJ-LBPRGKRZSA-N 303.362 2.451 0 40 DEAB O=C(NCc1ccncc1)c1cn(-c2cccc(Cl)c2)nn1 67264167 KENZUCWRSLHEJO-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB NC1=Nc2nc3ccccc3n2[C@]2(CCc3ccccc3C2)N1 7030648 LSACYBMSJIKLMX-SFHVURJKSA-N 303.369 2.427 0 40 DEAB NC(=O)COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 71852238 FFUWJHFTEKPQPK-UHFFFAOYSA-N 323.352 2.213 0 40 DEAB CCN([C@@H](c1ccc(OC)cc1)c1cccnc1)S(C)(=O)=O 80275392 NJOXIRCANTZQHE-INIZCTEOSA-N 320.414 2.461 0 40 DEAB CCCCC(=O)NCc1ccc(OCCN(C)C)c(OC)c1 71853427 WVSPTXUYCNZYNP-UHFFFAOYSA-N 308.422 2.442 0 40 DEAB O=C(CN(C(=O)[C@H]1CCOC1)c1ccccc1)N1CCCCC1 71894266 DTQHIXKMHBSTHL-HNNXBMFYSA-N 316.401 2.069 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1cc(C)on1 71859233 NGUMONLEOZJIKB-KPWVOAKYSA-N 322.386 2.268 0 40 DEAB O=C1[C@@H](NCc2cccc3c2OCO3)CCN1Cc1ccccc1 71841247 NVGBNUKJIQUCSS-INIZCTEOSA-N 324.380 2.306 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1csc(COC)n1 71870477 KGOLBBDUTMVUGF-KGLIPLIRSA-N 323.462 2.378 0 40 DEAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)Cn1cccn1 71914394 QHNWAUCSONHSMH-IAQYHMDHSA-N 307.781 2.429 0 40 DEAB CCNC(=S)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 16315634 SSOPXGNMKCIVQJ-HNNXBMFYSA-N 307.463 2.316 0 40 DEAB O=C(NCc1nc(-c2ccco2)no1)NCc1cccs1 69150581 SGCRMGHPESZJSF-UHFFFAOYSA-N 304.331 2.391 0 40 DEAB CC(C)(C)N1C[C@@H](C(=O)N2CCc3ccccc3C2)CC1=O 8219104 MBRAJBLMRVRRNC-HNNXBMFYSA-N 300.402 2.218 0 40 DEAB CCNC(=O)[C@H](C)N[C@@H](C)CC(=O)Nc1ccc(Cl)cc1 8328516 CFYIORFWSJOTBA-QWRGUYRKSA-N 311.813 2.171 0 40 DEAB CC(=O)N1C[C@@H](C(=O)NCc2ccc(C)cc2)Oc2ccccc21 8330658 JIAFZGBVICXDMO-SFHVURJKSA-N 324.380 2.425 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)n1 72299455 KJEBVDUADPZSPL-LLVKDONJSA-N 304.316 2.401 0 40 DEAB O=C(NC1CCCCCC1)c1c(O)c2c([nH]c1=O)CCCC2 17124602 AGASIYUFKLINNA-UHFFFAOYSA-N 304.390 2.412 0 40 DEAB CCc1noc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1 72296467 RQZDUVBHTZKTFJ-NSHDSACASA-N 310.398 2.073 0 40 DEAB CCCc1noc(CCCC(=O)N[C@H](C)C(C)(C)CN(C)C)n1 72297873 GGVKGCDXMYYBOW-CYBMUJFWSA-N 324.469 2.437 0 40 DEAB CC(C)c1nn(C)c2sc(C(=O)NC[C@@H](C)C(=O)O)cc12 97018679 WGGXFBCNSCQGCH-MRVPVSSYSA-N 309.391 2.209 0 40 DEAB CC(C)NS(=O)(=O)[C@H]1CCN([C@@H](C)Cc2ccsc2)C1 97084471 ZXNOPKSLNQIIJK-JSGCOSHPSA-N 316.492 2.081 0 40 DEAB CCN(C(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)C(C)C 97141756 UKHOQSFIGSRMDT-IAGOWNOFSA-N 319.449 2.062 0 40 DEAB O=C(CCc1cccs1)N1CCCN(c2cccnn2)CC1 69930197 JHHGBAICIINACB-UHFFFAOYSA-N 316.430 2.210 0 40 DEAB O=C(N[C@@H](CO)c1ccccc1)c1cnc([C@@H]2CCCO2)s1 97233049 XCRLQMFYRGGWIB-STQMWFEESA-N 318.398 2.458 0 40 DEAB O=C(N[C@H]1COc2ccccc21)c1ccc(N2CCOCC2)cc1 84579194 RQEXKYZCLNXZCX-KRWDZBQOSA-N 324.380 2.387 0 40 DEAB CS[C@H]1CC[C@@H](NC(=O)NCc2cccc(N(C)C)n2)C1 95437604 CRDMICHCRUKLGA-YPMHNXCESA-N 308.451 2.231 0 40 DEAB COc1ccc(CCC(=O)N[C@@H](C(=O)O)C(C)(C)C)cc1OC 95424669 SHEOSIXOBJNDMM-HNNXBMFYSA-N 323.389 2.252 0 40 DEAB O=C(O)[C@@H]1CCCN1CCCc1nc(-c2ccccc2)no1 95428048 CPDZMXIEUFEMFH-ZDUSSCGKSA-N 301.346 2.218 0 40 DEAB C[C@H](NC[C@H](C)N1CCOC[C@@H]1C)c1ccc([S@](C)=O)cc1 95422354 RQWVXQOUPHLFNW-GVRJUGSUSA-N 324.490 2.184 0 40 DEAB CCOc1ccc(CNC(=O)N2CCC[C@H](CO)C2)cc1F 75133491 JLALBSSZVDVXSS-ZDUSSCGKSA-N 310.369 2.138 0 40 DEAB COCC[C@H](NC(=O)NCC(C)(C)O)c1ccc(Cl)cc1 89761755 WOBCYNKPVBVZAM-ZDUSSCGKSA-N 314.813 2.488 0 40 DEAB Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2noc(C)n2)cc1 75573050 PGIKAPAPDAHAFY-GDBMZVCRSA-N 317.389 2.263 0 40 DEAB CCOCCCNS(=O)(=O)c1ccc(OC)c(C)c1C 117356703 BDVVQWUUVLWGDZ-UHFFFAOYSA-N 301.408 2.017 0 40 DEAB Cc1sc(C(=O)O)cc1CN1CCOC[C@H]1[C@H]1CCCO1 519829133 SBFILXVZBXZOIS-QWHCGFSZSA-N 311.403 2.135 0 40 DEAB CSCc1cc(C(=O)N(C)C[C@@H](C)c2nnn[nH]2)ccc1F 124050041 JTMRNJZPFYGJTH-SECBINFHSA-N 323.397 2.078 0 40 DEAB C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC[C@@H]1c1ccc(O)nn1 530075323 HUEFBDYCQVKQSU-BPLDGKMQSA-N 319.405 2.441 0 40 DEAB CCN(Cc1cn(CC)nc1C)C(=O)c1cc(C2CC2)[nH]n1 36613798 ZZHFMOFSYOXGGX-UHFFFAOYSA-N 301.394 2.474 0 40 DEAB COc1cccc([C@H](O)CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 78929754 YLWXWHQBSCGMLX-YPMHNXCESA-N 318.200 2.429 0 40 DEAB CCOC(=O)C1=NN(c2cc(C)ccc2C)[C@](C)(C(=O)O)C1 71979576 HQYUJPFERNQCCI-INIZCTEOSA-N 304.346 2.276 0 40 DEAB COc1ccc([C@@H]2CC(=O)Oc3c2oc(C)cc3=O)cc1O 1547139398 PGTLKBVMOVXJQT-JTQLQIEISA-N 302.282 2.103 0 40 DEAB biogenic CN(C)CCN1CCC(CNCc2cc(F)ccc2F)CC1 78552954 MPYSAEUMVWXUEA-UHFFFAOYSA-N 311.420 2.328 0 40 DEAB CC(C)N(C[C@@H]1CCCN1CCN)C(=O)OCc1ccccc1 79411651 YXHGZVOUNXUVLO-KRWDZBQOSA-N 319.449 2.457 0 40 DEAB C[C@H]1Cc2c(NC(=O)/C=C\c3ccccc3)nn(C)c2NC1=O 35597768 BRKJMUTXSZVMHQ-IQQGHNRFSA-N 310.357 2.203 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1 75156916 REEPYZLYCHVKSX-NWDGAFQWSA-N 303.811 2.230 0 40 DEAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)NCCc1cccs1 72270625 FQRXTCCFXFSOPJ-CYBMUJFWSA-N 318.446 2.010 0 40 DEAB O=C(O)CCCC(=O)Nc1ncn(Cc2cccc(Cl)c2)n1 32647671 MWEVJXXOULJJDW-UHFFFAOYSA-N 322.752 2.173 0 40 DEAB Cc1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)nc1 132655644 LAPHCFAERZNXGB-UHFFFAOYSA-N 305.403 2.252 0 40 DEAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc(C2CC2)nn1C 72242566 OKLIQIUODNMAMY-CQSZACIVSA-N 311.389 2.203 0 40 DEAB COCCCNS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861915 NGIDMTBTOLODET-UHFFFAOYSA-N 305.399 2.253 0 40 DEAB CC(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1 48248537 JHZHWTALOXCGQQ-AWEZNQCLSA-N 322.474 2.323 0 40 DEAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)NC2CC2)cc1 225432721 KVJWUPHPXZKNMJ-VIFPVBQESA-N 302.330 2.296 0 40 DEAB biogenic,in-vitro O=C(NCc1nnc2n1CCCC2)[C@H]1CCCc2ccccc21 41141837 IRLIEDXRFBXTGX-HNNXBMFYSA-N 310.401 2.351 0 40 DEAB CCOC[C@@H](O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 193800066 GLKHBFYAVMAFNQ-VIFPVBQESA-N 317.172 2.101 0 40 DEAB CC(C)n1cc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cn1 40776527 PHSBJOJLQDZMTR-MRXNPFEDSA-N 314.345 2.192 0 40 DEAB C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccnc1 96475184 IWQVDUOOTQTISV-CJNGLKHVSA-N 312.373 2.401 0 40 DEAB Cc1nc(C(=O)N(CCN(C)C)CC(C)C)c2ccccn12 96420788 MIIQWMNDFGFHRH-UHFFFAOYSA-N 302.422 2.303 0 40 DEAB Cc1nnc(C[C@@H]2C[C@H]3CN(Cc4ccsc4)C[C@H]3O2)o1 96209600 JVXXFCOFQVMRQM-MELADBBJSA-N 305.403 2.272 0 40 DEAB CCc1n[nH]c(S(=O)(=O)Cc2coc(-c3cccs3)n2)n1 96461367 QNEQVTLLVMHODO-UHFFFAOYSA-N 324.387 2.058 0 40 DEAB NC(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@H]1c1cccnc1 97101456 TVYWFSDDSDKCLK-JKSUJKDBSA-N 321.380 2.263 0 40 DEAB COCCN1Cc2cnn(CC3CCCC3)c2[C@H](COC)C1 96068344 MUCPLRJYFFMWCS-INIZCTEOSA-N 307.438 2.265 0 40 DEAB O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1F)N[C@@H]1C[C@H]2CC[C@H]1O2 245339090 QKLWXQBKYJASGH-XMHIBHPVSA-N 308.328 2.440 0 40 DEAB CCN(CC)C[C@H]1CN(CC2CCOCC2)Cc2ccnn2C1 248251720 MJTXFCILICHOAZ-KRWDZBQOSA-N 320.481 2.083 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 247877892 UQKVZMQULMJSCE-HNNXBMFYSA-N 318.442 2.485 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCCn3ccnc3)C2)n1 257244485 ILNXNMASNWLRDV-AWEZNQCLSA-N 301.394 2.101 0 40 DEAB Cc1ccn(CCC(=O)N2CCC[C@@H](Cc3cccnc3)C2)n1 257243654 IHYJCJGAVPIFEV-KRWDZBQOSA-N 312.417 2.458 0 40 DEAB O=[S@](CCNCc1cccc2c1OCO2)Cc1ccccc1 69846000 BZPZYXNVLQFKGZ-QFIPXVFZSA-N 317.410 2.454 0 40 DEAB COc1c(C)cc(CN(C)C(=O)NCCn2ccnc2)cc1C 69561227 ZCIYLLCLRVPULV-UHFFFAOYSA-N 316.405 2.350 0 40 DEAB CSCCC(=O)N1CCCN(Cc2cnn(C(C)C)c2)CC1 69528787 IKZMNJKDEAMGEW-UHFFFAOYSA-N 324.494 2.251 0 40 DEAB Cc1ncsc1-c1cc(C(=O)NC2CCN(C)CC2)ccn1 257319455 VSQIDDORCUUYDB-UHFFFAOYSA-N 316.430 2.338 0 40 DEAB Cn1ccnc1-c1cncc([C@H]2CCCN(c3cnccn3)C2)n1 257256998 KNQXYLPMMOLKLS-ZDUSSCGKSA-N 321.388 2.051 0 40 DEAB CCn1ccnc1CN1CCN(Cc2cnc(C)s2)C[C@@H]1C 69702738 MRCJGQVQMFLPDG-ZDUSSCGKSA-N 319.478 2.374 0 40 DEAB Nc1nccnc1C(=O)N1CCC(c2ccc(F)c(F)c2)CC1 69918308 OCIWAZJAMXJVDR-UHFFFAOYSA-N 318.327 2.357 0 40 DEAB O=C(Cn1cccc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390832416 ZIRXJPSYXGXMGV-GJZGRUSLSA-N 311.385 2.484 0 40 DEAB COc1ccc(F)cc1CSCC(=O)NC[C@H]1CCCO1 75126983 FGESSUPSPCESCQ-CYBMUJFWSA-N 313.394 2.363 0 40 DEAB COCCOc1ccc(NC(=O)N2CCC[C@H]2C[C@@H](C)O)cc1 84637169 DCLUJUSTKAQOBT-HIFRSBDPSA-N 322.405 2.479 0 40 DEAB Cc1nc2ncc(C(=O)NCc3cccc(N(C)C)c3)cc2[nH]1 97165480 OKOSHUVMVMYSKC-UHFFFAOYSA-N 309.373 2.262 0 40 DEAB Cc1cc(C)n2nc(SCc3ccc(N(C)C)nc3)nc2n1 521395038 WBTPSCKGKLECNO-UHFFFAOYSA-N 314.418 2.494 0 40 DEAB Cn1cnc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)c1 655267061 NSINZCGJTDMVHL-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB COC(=O)[C@@H](C)Oc1c(Br)cc(C=O)cc1OC 12394202 KCEUZNIQQOWRFH-SSDOTTSWSA-N 317.135 2.211 0 40 DEAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 13147334 ZOHDOFBGGUXZSD-ZIRHEVKLSA-N 317.385 2.359 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCOC)cc1C(C)C 16780168 VKHWPWUTFBNBII-UHFFFAOYSA-N 301.408 2.133 0 40 DEAB COC(=O)CCC(=O)NC(=S)Nc1cccc(Cl)c1C 4673008 JLQJEVFHYQFRGD-UHFFFAOYSA-N 314.794 2.415 0 40 DEAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC(F)(F)CC1 252492141 MEDFSHAOOYJQKG-GFCCVEGCSA-N 312.316 2.121 0 40 DEAB CCOC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)on1 260667800 UGSKYRUSUDURIM-UHFFFAOYSA-N 320.320 2.494 0 40 DEAB CCS(=O)(=O)NCCc1csc(-c2cccc(F)c2)n1 5137681 KBRFQIXRBKXIPC-UHFFFAOYSA-N 314.407 2.431 0 40 DEAB Fc1ccc(N2CCN(c3ccn4nccc4n3)CC2)c(F)c1 2298065718 DBIMURHEOFNKKG-UHFFFAOYSA-N 315.327 2.334 0 40 DEAB O=C(c1ccccc1)N1CCc2nc(C3CCNCC3)ncc2C1 19368926 IAJRZYYMRNAPQJ-UHFFFAOYSA-N 322.412 2.142 0 40 DEAB c1ccc(-n2nnnc2SCc2ccc3nonc3c2)cc1 34379 CRFJFDFWRGGQPS-UHFFFAOYSA-N 310.342 2.491 0 40 DEAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@H]1CCOC1 40519895 QCWHJPLHWJYATK-SNVBAGLBSA-N 308.403 2.171 0 40 DEAB COc1cccc(NC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c1 51230974 COJIWDKJPXINAI-GFCCVEGCSA-N 317.389 2.218 0 40 DEAB Cn1ncc2c1ncn1c(COc3ccc(Cl)cc3)nnc21 206047 CCYLOWRQTGAZKH-UHFFFAOYSA-N 314.736 2.243 0 40 DEAB COC(=O)Cc1c(C)c2ccc(O[C@H](C)C(C)=O)cc2oc1=O 488726 BKTAZUXBSBVSGY-LLVKDONJSA-N 318.325 2.173 0 40 DEAB biogenic Cc1ccccc1NCCC(=O)NCCc1nnc2ccccn12 52852425 QWPLXROFQLFIMI-UHFFFAOYSA-N 323.400 2.199 0 40 DEAB O=C(CN1CCCC1=O)N1CCC(=Cc2cccc(F)c2)CC1 54022841 WSOCTBOYHCWPJH-UHFFFAOYSA-N 316.376 2.454 0 40 DEAB CC1CCN(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)CC1 23017604 ISNHVNCUBQNYRT-LBPRGKRZSA-N 300.399 2.453 0 40 DEAB OC[C@H]1CCCN(c2ccc3nnc(-c4ccccc4)n3n2)C1 54389483 VGMLHRCNZKVXFD-ZDUSSCGKSA-N 309.373 2.000 0 40 DEAB CCCc1nc(C)c(C(=O)N(C)CC(=O)N(CC)CC)s1 43006707 MZXYDBXEKWTWOM-UHFFFAOYSA-N 311.451 2.344 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@H]1CN1CCCC1 78726970 GMWBPSVBHOIHRC-AWEZNQCLSA-N 316.401 2.158 0 40 DEAB CCCc1nc(-n2cccc2)sc1C(=O)NCCC(=O)OC 79488644 DPBUDFZMUITGJX-UHFFFAOYSA-N 321.402 2.179 0 40 DEAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1472292 DHYQCHGTXGSQDV-ZETCQYMHSA-N 309.796 2.029 0 40 DEAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)C1=NN(C)C(=O)CC1 55735931 UUFXVWFVPBCXDY-NSHDSACASA-N 324.384 2.222 0 40 DEAB O=C(COC(=O)c1ccccn1)NCCc1ccc(Cl)cc1 3507485 CALCRQLDUFNSQK-UHFFFAOYSA-N 318.760 2.251 0 40 DEAB O=C(Nc1ccccc1Cl)N[C@]1(C(=O)O)CCSC1 43511162 UMFATWRBEMOTMU-GFCCVEGCSA-N 300.767 2.422 0 40 DEAB NC(=O)c1cccc(CNC(=O)CCc2cccc(F)c2)c1 25333846 XLBIRPONVOZKRU-UHFFFAOYSA-N 300.333 2.174 0 40 DEAB Cc1nccn1-c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1F 56103494 YYXAYDRMLJHWSQ-UHFFFAOYSA-N 312.304 2.260 0 40 DEAB C[C@@H]1CCCN(CCNC(=O)c2ccc(-c3ncon3)cc2)C1 107220024 DUZSWLWDFSEMDN-CYBMUJFWSA-N 314.389 2.198 0 40 DEAB COc1cccc(OC)c1OC[C@H](O)CN1CCCC[C@H]1C 6007621 CLFCNMVBIRZSGE-ZIAGYGMSSA-N 309.406 2.318 0 40 DEAB Cc1nccn1-c1ncccc1NC(=O)COC1CCCC1 57223400 SVYNCIZMBHVCFE-UHFFFAOYSA-N 300.362 2.473 0 40 DEAB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)CCC2=O)cc1 8475706 MCCPOOARSHPVNU-UHFFFAOYSA-N 311.341 2.142 0 40 DEAB Cc1cccc(CCNC(=O)Cn2cnc3ccccc3c2=O)c1 58178528 JPAFQQOIMVAUIJ-UHFFFAOYSA-N 321.380 2.064 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCOCC2)nc1 27601875 XITMWNOIGFUWJS-HIFRSBDPSA-N 303.406 2.227 0 40 DEAB Cc1cccc(C)c1OC[C@@H](O)CNc1ccc2nccnc2n1 58290234 BEDVBWAKWJBXDV-AWEZNQCLSA-N 324.384 2.493 0 40 DEAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccn(C)n2)C(C)C)cc1 58246178 AJJRBQKKSMYGDP-HNNXBMFYSA-N 314.389 2.122 0 40 DEAB CC(C)[C@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 58344862 OYRYJLAGYCZSDO-VIFPVBQESA-N 318.826 2.486 0 40 DEAB CN(CCCNC(=O)Cc1cccnc1)c1ccc(F)cc1 95395237 ITAKLQXFFJTHBC-UHFFFAOYSA-N 301.365 2.406 0 40 DEAB C[C@H](CC(=O)NCCCn1cncn1)Cc1cccc(F)c1 72969682 XFWMUTBUQHDGTB-ZDUSSCGKSA-N 304.369 2.192 0 40 DEAB Cc1cncc(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)c1 95436397 QZXQUMADADTWPA-UHFFFAOYSA-N 316.430 2.426 0 40 DEAB CCCNS(=O)(=O)c1c(F)cc(F)cc1Br 37022079 FFHZYWDNCPNRKR-UHFFFAOYSA-N 314.151 2.416 0 40 DEAB COCc1nc([C@H]2COCCN2Cc2cccc(C)c2)no1 95999990 NZGKGAGRJZKXAC-CQSZACIVSA-N 303.362 2.098 0 40 DEAB Cc1csc(=O)n1CCN1CCN(Cc2ccccc2)CC1 61172334 PLWZDULTYBOXGX-UHFFFAOYSA-N 317.458 2.036 0 40 DEAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nccs1 12322483 NVSQUISGRXOIOW-VIFPVBQESA-N 314.370 2.381 0 40 DEAB O=C(c1cccs1)N1CCC(CCN2CCOCC2)CC1 61648619 CXORMVTZPGEGDP-UHFFFAOYSA-N 308.447 2.323 0 40 DEAB Cc1csc(NC(=O)C2CCN(C(=O)NC(C)C)CC2)n1 48260327 YDEIJZIFQWVRKY-UHFFFAOYSA-N 310.423 2.220 0 40 DEAB CC(C)NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941210 KVDSGJSYJAWURW-JTQLQIEISA-N 318.826 2.019 0 40 DEAB O=C(NCC1(CO)CC1)c1ccc(C(=O)Nc2ccccc2)cc1 95443316 YSQKKNKTOMVOIC-UHFFFAOYSA-N 324.380 2.441 0 40 DEAB Cc1ccccc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 9316834 GFRBBDURFMNQRS-UHFFFAOYSA-N 303.362 2.044 0 40 DEAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cnccn3)c2)n1 49302101 QUYOAECFMUONGZ-UHFFFAOYSA-N 321.340 2.042 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@@H]3CCOC3)C2)nc1 95407287 CLPBCURHUPKUCS-LSDHHAIUSA-N 303.406 2.077 0 40 DEAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@@H]1C(=O)NC 95436953 PKAKZUYIMHYQNN-HZPDHXFCSA-N 317.433 2.236 0 40 DEAB CC(=O)NCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 9483451 BZAUQHKHSNQYIW-LLVKDONJSA-N 313.401 2.159 0 40 DEAB Cc1csc([C@@H]2CN(Cc3nnc(C4CC4)o3)CCO2)n1 65473876 AKRYXKJLYOLGOV-NSHDSACASA-N 306.391 2.285 0 40 DEAB COc1ccccc1OC(=O)c1ccc(N2CCOCC2)nc1 14093112 PWNRDTKCEJEMTC-UHFFFAOYSA-N 314.341 2.146 0 40 DEAB O=C(NCc1ccc2c(c1)CCC2)NCc1nc(C2CC2)no1 80090711 UYXBBNGLFMAIMO-UHFFFAOYSA-N 312.373 2.435 0 40 DEAB c1ncn(C[C@@H]2CCCCN2Cc2cn3ccsc3n2)n1 71876433 IVLCXAGCVCJNNO-ZDUSSCGKSA-N 302.407 2.042 0 40 DEAB O=S(=O)(NCCCn1cnc2ccccc21)c1cccs1 7286624 RFEDXZDPWZYSHQ-UHFFFAOYSA-N 321.427 2.466 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1nc(C)c(C)o1)C[C@@H]2O 71824707 FUQRGJUNEDUVSM-ZDUSSCGKSA-N 318.373 2.358 0 40 DEAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860359 IVAITQDQPAJHAX-UHFFFAOYSA-N 317.414 2.350 0 40 DEAB O=C(NCc1ccsc1)N[C@H]1CCN(c2ccccc2)C1=O 69067533 YQXRMTXAZRBPBR-AWEZNQCLSA-N 315.398 2.353 0 40 DEAB CC[C@H](C)[C@H](CO)NC(=O)Nc1cccc(OCCOC)c1 71921467 MBPGQCHIRWXLLT-WFASDCNBSA-N 310.394 2.240 0 40 DEAB Cc1cc(C)c(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)o1 95983558 AOSJQIRZRADOER-CQSZACIVSA-N 317.389 2.460 0 40 DEAB Cc1cnn(C[C@H](C)NCc2ccc(-n3cncn3)c(F)c2)c1 69459665 OQBUNGHQCDRKTD-ZDUSSCGKSA-N 314.368 2.090 0 40 DEAB CCOc1cc(CNC[C@@H]2CN(C3CC3)CCO2)ccc1OC 69584854 FJKWLWXLLAFVLB-MRXNPFEDSA-N 320.433 2.047 0 40 DEAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1nc2ccccc2s1 69533241 JRTZMVQEJVCQGD-SBKAZYGRSA-N 310.444 2.460 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1ccoc1C 69847316 ONQNAGSCNMMZFM-KRWDZBQOSA-N 312.369 2.178 0 40 DEAB C[C@@H]1OCC[C@@H]1S(=O)(=O)[C@@H](C)c1nc(C(C)(C)C)no1 95973630 DIFOJUKAJBCKQG-GUBZILKMSA-N 302.396 2.020 0 40 DEAB Cc1csc([C@H]2CN(Cc3cc(C(N)=O)cs3)CCO2)n1 92790303 OABNZLUSUAEQRM-GFCCVEGCSA-N 323.443 2.185 0 40 DEAB CCS(=O)(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96007812 LTOIZCKLZFUDJM-LBPRGKRZSA-N 323.336 2.428 0 40 DEAB CC1(C)OC[C@H](COC(=O)c2ccccc2-n2cccn2)O1 72310840 KZWQYLIUHCRKIN-LBPRGKRZSA-N 302.330 2.181 0 40 DEAB Cn1cc(C2CCN(C[C@H](O)c3ccc(F)cc3)CC2)cn1 97203071 CJQPJGPNABHQPU-KRWDZBQOSA-N 303.381 2.472 0 40 DEAB COc1ccc(NC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)cc1 89314123 YFQLKSZYFCMTRT-ZIAGYGMSSA-N 309.435 2.205 0 40 DEAB O=S(=O)(N[C@@H](CCO)c1cccs1)c1cccs1 89799939 QGEKRGANSCFLOR-VIFPVBQESA-N 303.430 2.212 0 40 DEAB CC(C)C[C@@H]1CCCCN1C(=O)NCC(C)(C)S(C)(=O)=O 89821100 WICBUCNCMMDHSD-ZDUSSCGKSA-N 318.483 2.420 0 40 DEAB CCOC(=O)c1c(C)csc1NC(=O)C(=O)N[C@H](C)CC 76186242 QTMWFCWUXZSHKK-SECBINFHSA-N 312.391 2.086 0 40 DEAB O=C(NCCN1CCCCC1)c1ccn(-c2ccccc2F)n1 65436766 URGWUFJJVQCMJK-UHFFFAOYSA-N 316.380 2.227 0 40 DEAB CC(C)c1ocnc1C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1 73117951 OZMPFLPGFMWZLI-LLVKDONJSA-N 322.434 2.047 0 40 DEAB CCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@@H]32)s1 79354364 TXEZUVRLPRDIKO-LSDHHAIUSA-N 308.447 2.180 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1cccn1Cc1cccs1 74689619 LTIBBQRSYUUALW-LLVKDONJSA-N 306.387 2.279 0 40 DEAB CCOCc1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 71195467 GVSXWMZUKYIYDG-CHWSQXEVSA-N 313.419 2.021 0 40 DEAB CCCCOc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)cc1 75162561 PJRHIAZPJIWVMU-KBPBESRZSA-N 304.346 2.397 0 40 DEAB O=S(=O)(Nc1ccc(F)cc1)c1cnn(-c2ccccn2)c1 72238941 GMDYYHFZEXKOEC-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB CNC(=O)c1ccc(/C=C/C(=O)NCc2ccc(C)n2C)cc1 79042835 GBMFGTQFHUPRBI-YRNVUSSQSA-N 311.385 2.023 0 40 DEAB COC(=O)[C@]1(NC(=O)c2cc(Cl)cc(Cl)c2)CCOC1 88221626 QFGHCODHBZGHPP-ZDUSSCGKSA-N 318.156 2.055 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226629281 OBGUHHIBCDQXFQ-KOPUFYLFSA-N 323.348 2.031 0 40 DEAB COCCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225284259 SHCPHINKTPJOLH-UHFFFAOYSA-N 321.446 2.445 0 40 DEAB COC[C@H]1CCCN1S(=O)(=O)c1c(F)cccc1Cl 195565705 FKSKKGMWRGBABJ-SECBINFHSA-N 307.774 2.279 0 40 DEAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@H](n2cccn2)C1 69432495 SZPHAPJNJIUNAO-CVEARBPZSA-N 311.385 2.298 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)c1ccc2[nH]cnc2c1 69591100 TZMPCKMVUVXCTN-NWDGAFQWSA-N 314.389 2.082 0 40 DEAB CN(Cc1cnc(N(C)C)nc1)C(=O)c1c(F)ccc(F)c1F 131636034 QIYIGUSBEQQATA-UHFFFAOYSA-N 324.306 2.232 0 40 DEAB COc1cccc([C@@H](C)N2CCN(CCn3cccn3)CC2)c1 69918515 KZXVHYFSJRPJSC-MRXNPFEDSA-N 314.433 2.271 0 40 DEAB NC(=O)[C@H]1CCCCC[C@@H]1NCc1ccc(N2CCCC2)nc1 195562110 YPOJENVNYYGTRV-HOTGVXAUSA-N 316.449 2.206 0 40 DEAB Fc1ccc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1 96112728 BDWXTSKFKBWIKW-ZDUSSCGKSA-N 305.353 2.015 0 40 DEAB biogenic,in-vitro COCCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 96413160 KBDIYCLCJVBIMI-RDJZCZTQSA-N 304.434 2.392 0 40 DEAB COCCn1c(C(=O)N=c2[nH]cc[nH]2)cc2cc(Cl)ccc21 95479604 WJLFBDGQPYNJTC-UHFFFAOYSA-N 318.764 2.338 0 40 DEAB Cc1cc(CNC(=O)c2cccs2)ccc1S(C)(=O)=O 96468331 NVFXKEYRZFCUHC-UHFFFAOYSA-N 309.412 2.390 0 40 DEAB NC(=O)[C@H]1CN(Cc2csc3c(Cl)cccc23)CCO1 95409583 HXWUNMQIKQATOQ-GFCCVEGCSA-N 310.806 2.241 0 40 DEAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)c1cscn1)C2 96039353 RFRSRSPJGVEKRS-DZGCQCFKSA-N 310.419 2.191 0 40 DEAB CC(C)NC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@H]2O1 96042683 NWEYDZJOTSJOBT-RCCFBDPRSA-N 316.445 2.233 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)no1 257288147 PTBKKLKDIUHCBR-BZUAXINKSA-N 316.357 2.026 0 40 DEAB CCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(F)cc1 253493598 USMFCRCFQNUNJL-CORIIIEPSA-N 313.394 2.407 0 40 DEAB CC(=O)N1CC[C@H](Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1 257219074 DFMPDCWPDLCYJK-CQSZACIVSA-N 313.405 2.332 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2coc(C)n2)nc(C)n1 257302234 SCAYQLUPMFBTBP-CYBMUJFWSA-N 301.350 2.100 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@H]1c1ccncn1 257305848 SRUYKEWKQNALIZ-AWEZNQCLSA-N 301.321 2.358 0 40 DEAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4CC(F)C4)C[C@H]3C2)cs1 585107621 ZLVHONYVWYDWAV-CEUNDQEZSA-N 323.437 2.090 0 40 DEAB O=C1CC[C@]2(CCCN(CC3CC3)CC2)N1C[C@@H]1CCCO1 585099892 URGDEMQLYCJNFD-WMZOPIPTSA-N 306.450 2.423 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCN(c3nc(C)cc(C)n3)C2)c1 585279207 XDTWHESDTASRBL-GOSISDBHSA-N 313.401 2.422 0 40 DEAB CCOC(=O)CC[C@H](CC(=O)OCC)C(=O)c1cccnc1 675047381 OBEDJBVEHOBYLR-GFCCVEGCSA-N 307.346 2.177 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H](C)OCC2CC2)n1 71870245 QYFKBFAMAAIRIA-HOCLYGCPSA-N 305.422 2.306 0 40 DEAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 71870894 SUTSWHAKVYUABF-AWEZNQCLSA-N 324.388 2.020 0 40 DEAB CC[C@H](CN1CCCC1)NC(=O)Nc1cc(C(N)=O)ccc1C 75107880 QPFJVWJJLVZTLR-CQSZACIVSA-N 318.421 2.090 0 40 DEAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@@H](CF)C1 881592892 KKCYWXBPILBPOU-UONOGXRCSA-N 304.365 2.248 0 40 DEAB NC(=O)COC(=O)C1(Cc2nc3ccccc3s2)CCCC1 36775528 SQXGSKWANMVUPX-UHFFFAOYSA-N 318.398 2.428 0 40 DEAB CSc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1 20006128 DJUURCOQDFKFFJ-UHFFFAOYSA-N 312.372 2.236 0 40 DEAB O=C(O)C[C@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 91293516 VWOVLEJQELMRIJ-LXOKAJLYSA-N 315.778 2.117 0 40 DEAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)[C@@H]1CCn2cncc2C1 92770275 AXJHEHQFWOUGGA-XOUADPBQSA-N 319.449 2.401 0 40 DEAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3ccco3)cc2)C1 206767381 QBOUKZDDMMVIBW-MRXNPFEDSA-N 300.358 2.435 0 40 DEAB Cc1ccnc(N2CCN(C(=O)c3ccc(O)cc3F)CC2)c1 165037783 KRVNELSNYVYQTB-UHFFFAOYSA-N 315.348 2.197 0 40 DEAB O=C(Cn1ccnc1[C@@H](O)c1ccccc1)NC1CCCCC1 154887705 SWGPFGQBLVNXEL-KRWDZBQOSA-N 313.401 2.414 0 40 DEAB CC(C)OCCCNC(=O)C[C@H]1Sc2ccccc2NC1=O 3036999 JJRLUKMUVWCXGT-CQSZACIVSA-N 322.430 2.421 0 40 DEAB Nc1nc(CSc2nncs2)nc(Nc2ccccc2)n1 5702394 SFZGPSNCYUUGKF-UHFFFAOYSA-N 317.403 2.341 0 40 DEAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N2CCCN=C2S1 1424600 AYGACNBPUBQQSD-LLVKDONJSA-N 323.805 2.372 0 40 DEAB CCOC(=O)[C@@](NC(C)=O)(Nc1ccc(C)cc1)C(F)(F)F 2275675 RBWGURSELNNDFE-CYBMUJFWSA-N 318.295 2.365 0 40 DEAB COC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1 4078312 YLIIFWDAHKVCAD-UHFFFAOYSA-N 318.333 2.196 0 40 DEAB O=C(CSc1nc2[nH]ncc2c(=O)[nH]1)c1ccc(Cl)cc1 13543823 NAHCYCAECAHCNA-UHFFFAOYSA-N 320.761 2.275 0 40 DEAB C[C@@H](Cc1ccc2c(c1)CCO2)Nc1ncnc2c1cnn2C 1775972418 FWNAISYCSYDDEO-NSHDSACASA-N 309.373 2.341 0 40 DEAB CSc1ccc(/C=C/C(=O)NCC2(O)CCOCC2)cc1 206712362 LEOUMXNLPXHIHV-QPJJXVBHSA-N 307.415 2.079 0 40 DEAB COc1ccccc1NC(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 31664017 SLSVLNGFRPCVQJ-MCIONIFRSA-N 321.421 2.314 0 40 DEAB Cc1csc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)n1 20724687 SXRKUAYSNIWQFG-UHFFFAOYSA-N 320.765 2.333 0 40 DEAB Cc1c(C(=O)OCc2noc(-c3cccs3)n2)cnn1C 21615616 XFOHBMTZMNLEPI-UHFFFAOYSA-N 304.331 2.197 0 40 DEAB Cc1noc(C2CCN([C@H](C)C(=O)Nc3nccs3)CC2)n1 53640326 RQITXHTVFXZCCY-SECBINFHSA-N 321.406 2.041 0 40 DEAB Cc1ccc(C(=O)c2c(N)c(C(N)=O)c3ccccn23)cc1C 22760145 QOGOMORBFGFSMP-UHFFFAOYSA-N 307.353 2.468 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 42512773 DZFHKABGHDQGKJ-JTQLQIEISA-N 321.764 2.126 0 40 DEAB CC[C@@H]1CCCCN1C(=O)CCN1C(=O)c2ccccc2C1=O 47694 QXOUJYYPDNMONW-CYBMUJFWSA-N 314.385 2.464 0 40 DEAB CC(C)(C)c1cnc(CN2CCO[C@H](Cn3cccn3)C2)o1 69519382 ZBRGLRVQUXTMID-ZDUSSCGKSA-N 304.394 2.070 0 40 DEAB CC(C)(C)OC(=O)N[C@H](CO)CC(=O)OCc1ccccc1 2389474 XEGSFNZVTUGZCK-ZDUSSCGKSA-N 309.362 2.006 0 40 DEAB O=C(c1ccoc1)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 40499049 PFTCERWTVSDLIB-UHFFFAOYSA-N 320.295 2.156 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2cccc(C)c2)C1 4185917 KLSDYSGLGFIDTD-CVEARBPZSA-N 321.417 2.010 0 40 DEAB C[C@H]1CN(c2ccc(CNC(=O)c3cccs3)cn2)CCO1 40535980 GUMOPJLQBRPKNG-LBPRGKRZSA-N 317.414 2.298 0 40 DEAB NC(=O)COC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29284120 YRDNOHQXXOKUPT-MRXNPFEDSA-N 323.352 2.023 0 40 DEAB CCC(CC)c1nnc(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)s1 29653794 SXMZHWMEBISJRP-JTQLQIEISA-N 322.434 2.391 0 40 DEAB COc1ccc(S(=O)(=O)N2CCc3ncsc3C2)c(C)c1 41194296 CTGFXWAKRRAXHN-UHFFFAOYSA-N 324.427 2.207 0 40 DEAB Cc1ccccc1OCCOc1ccc(S(N)(=O)=O)cc1 40464850 HUCJPCUZYPZEQO-UHFFFAOYSA-N 307.371 2.100 0 40 DEAB CCOC(=O)Cc1cc(=O)[nH]c(Nc2ccc(OCC)cc2)n1 9939353 OETYAASEPDBJJW-UHFFFAOYSA-N 317.345 2.018 0 40 DEAB COc1cccc(-c2cc(N3CCC[C@@H](C(=O)O)C3)ncn2)c1 32918480 KWNDEEKVHQIWPZ-CYBMUJFWSA-N 313.357 2.453 0 40 DEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F 101783136 KUYZAYUAAQGKMW-BJDJZHNGSA-N 313.712 2.296 0 40 DEAB COc1ccc(NC(=O)c2ccccc2N2CCOCC2)cn1 61110459 QYDIFRAKBDVONL-UHFFFAOYSA-N 313.357 2.179 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 104272679 POYXHSMAJMRXOA-IGQOVBAYSA-N 310.463 2.325 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)N[C@@H](C)Cn1cccn1)C2 42368432 BTXFQJCEQQRBBG-SWLSCSKDSA-N 301.415 2.413 0 40 DEAB CN1CCN(C(=O)c2ccncc2)c2nc3ccccc3nc21 25089852 NCYSSLGFNSGNMN-UHFFFAOYSA-N 305.341 2.121 0 40 DEAB CCOc1ccccc1C(=O)NCC(=O)Nc1ncccc1C 23078954 WOUIMNUSJPUORI-UHFFFAOYSA-N 313.357 2.157 0 40 DEAB CCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)CC 20448839 STEIBVYGVZJAQZ-GFCCVEGCSA-N 324.446 2.317 0 40 DEAB Cc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)nc1 27643380 WVQPPWZMLNUZND-UHFFFAOYSA-N 304.371 2.187 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3346938 KTEATNOTFOTAKL-CBAPKCEASA-N 310.400 2.294 0 40 DEAB C[C@@H](OC[C@@H](O)CNc1cc(Cl)nc(N)n1)c1ccccc1 44976142 ASAVMTAIFWMTDN-PWSUYJOCSA-N 322.796 2.263 0 40 DEAB CN(CCNS(=O)(=O)c1ccccc1)Cc1ccsc1 58327097 MDUUCVYVPIRLPD-UHFFFAOYSA-N 310.444 2.158 0 40 DEAB Cc1cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c(C)s1 36297643 VBBMSWFRSCNMML-CYBMUJFWSA-N 310.444 2.343 0 40 DEAB in-vitro Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2N)c1C 3484352 PPXBZGLAYRCZTE-UHFFFAOYSA-N 317.418 2.217 0 40 DEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccccc1F 3581214 HPXRUHNCOAQOHF-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CCCCC2)cc1 7738190 OLGGEZMFYQEPJC-ZDUSSCGKSA-N 318.421 2.323 0 40 DEAB COc1ncccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 49507034 FSSVPXYDZOTHDH-UHFFFAOYSA-N 311.341 2.252 0 40 DEAB COc1ccc([C@@H](NC(=O)c2ccncc2)c2nccn2C)cc1 16472620 KIGYEJPYDQJGOW-MRXNPFEDSA-N 322.368 2.343 0 40 DEAB CSc1ccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)cn1 69436650 LSXBRPSDWNQHOP-SECBINFHSA-N 305.359 2.154 0 40 DEAB CC[C@H]1CN(C(=O)NC[C@H](c2ccsc2)N(C)C)CCO1 69453827 KVMNWASGXDAIFZ-UONOGXRCSA-N 311.451 2.171 0 40 DEAB CC(C)CN1CCC(C(=O)NCCN2CCC[C@H](C)C2)CC1 65405237 VSCXVZWFXIGFQU-INIZCTEOSA-N 309.498 2.203 0 40 DEAB Cc1csc([C@H]2CN(CCC(=O)N3CCCCC3)CCO2)n1 65466262 PZFLJBNCCAETKG-CQSZACIVSA-N 323.462 2.227 0 40 DEAB C[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccccc1Oc1ccccc1 69631692 KOMATNXTLBPKIS-LLVKDONJSA-N 324.340 2.381 0 40 DEAB C[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 8193438 NACUPGFKGSPSKT-FZMZJTMJSA-N 322.430 2.428 0 40 DEAB COc1ccc(CNC(=O)c2ccnn2C(F)F)cc1OC 4769983 VTYLVMGRXDYPNI-UHFFFAOYSA-N 311.288 2.225 0 40 DEAB Cc1noc([C@@H]2CCCN(CCC(=O)NC3CCCCC3)C2)n1 69668764 UHQVBKOKJIZUSA-CQSZACIVSA-N 320.437 2.396 0 40 DEAB Cc1ccn2cc(C(=O)N3CCCC[C@H]3CN(C)C)nc2c1 66948129 VHCAUIJMYABNSV-AWEZNQCLSA-N 300.406 2.199 0 40 DEAB CCn1cccc1/C=C1/SC(=O)N(CC(=O)OC(C)C)C1=O 409095277 HHCCNVXZGNISTP-XYOKQWHBSA-N 322.386 2.496 0 40 DEAB CCONC(=O)c1ccc(I)c(C)c1 69563423 KGXAQKJLGCZKCO-UHFFFAOYSA-N 305.115 2.281 0 40 DEAB CC(=O)N(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccccc1C 17975626 VSCYTNYKIXYKKS-HUUCEWRRSA-N 314.385 2.481 0 40 DEAB Cc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@@H]3C)CC2)nc(C)n1 69843510 RHQNHEVSXBTZOR-XHDPSFHLSA-N 302.422 2.177 0 40 DEAB CCCN1CCCN(C(=O)c2cccc(C3OCCO3)c2)CC1 96486734 TWEQCQQUGRFWOW-UHFFFAOYSA-N 318.417 2.290 0 40 DEAB Cc1ccnc(NC(=O)CN(C)C(=O)c2cccnc2Cl)c1 69977564 XASSQADFOGIHNR-UHFFFAOYSA-N 318.764 2.149 0 40 DEAB Cc1cccc(OCCCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c1 71829835 VUOADURXUMCUAT-GJZGRUSLSA-N 318.417 2.266 0 40 DEAB CCN1CCN(C(=O)c2cc(C(N)=O)cs2)c2ccccc21 71896730 GEEIBHZMPLFFPE-UHFFFAOYSA-N 315.398 2.334 0 40 DEAB CC(C)Cn1cc(C(=O)NCCCC(N)=O)c2ccccc21 71821510 XALHUXHJYVZMMM-UHFFFAOYSA-N 301.390 2.293 0 40 DEAB CC(C)c1ncncc1C(=O)N1CCN(c2nccs2)CC1 71819717 JPDDSGJBEGBPIE-UHFFFAOYSA-N 317.418 2.019 0 40 DEAB CC(C)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(C)C2)C1 83721631 VIZKXQUTBQXRLX-JKSUJKDBSA-N 311.470 2.175 0 40 DEAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1 19766289 NZUMLFNABGYRAO-OAHLLOKOSA-N 324.336 2.437 0 40 DEAB COC(=O)c1[nH]c(C)cc1NC(=O)COc1ccc(F)cc1F 75136606 WFWANDXUSXDVDV-UHFFFAOYSA-N 324.283 2.405 0 40 DEAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCC(N2CCCCC2)CC1 83888547 IIXUUNOIYHJLBG-RDJZCZTQSA-N 324.465 2.047 0 40 DEAB CCOC(=O)Oc1cc(CC(=O)OC)nn1-c1ccc(F)cc1 9704846 BUBJSQUNKFOEFJ-UHFFFAOYSA-N 322.292 2.262 0 40 DEAB O=C(c1cnccn1)N1CCC(Nc2ccc(Cl)cn2)CC1 89794265 QUMQLMJYIQWACC-UHFFFAOYSA-N 317.780 2.242 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2c(C)noc2C)cc1C 72238497 XEIVRFJKPOLFAD-UHFFFAOYSA-N 301.346 2.277 0 40 DEAB Cc1nn(C)c(C)c1C(=O)OCc1nnc(C2CC2)n1C1CC1 97084158 NXBOQSQJWBUQAC-UHFFFAOYSA-N 315.377 2.198 0 40 DEAB NC(=O)[C@H]1CCCN1CCCc1ccccc1Br 97085850 ZZNGEBTZNINDIR-CYBMUJFWSA-N 311.223 2.331 0 40 DEAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1ccncc1 89884934 WDWAFQUICBZVKI-MRXNPFEDSA-N 309.369 2.236 0 40 DEAB O=C(NCCc1nc[nH]n1)c1ccc2[nH]c3c(c2c1)CCCC3 89800367 FGAYFXYXJHHZEV-UHFFFAOYSA-N 309.373 2.137 0 40 DEAB C[C@@H](NCC(=O)NCc1ccco1)[C@H]1COc2ccccc21 97112608 ATXZLFKWHZBQMZ-IUODEOHRSA-N 300.358 2.050 0 40 DEAB CCC[C@@H]1SCCN1C(=O)c1cnc2cc(C)ccn2c1=O 89950092 NCURLOGEHDOYMU-AWEZNQCLSA-N 317.414 2.318 0 40 DEAB CC(C)n1ccc2c(C(=O)N[C@@H]3CCS(=O)(=O)C3)cccc21 95478928 BCRNPVSYFPKTKE-GFCCVEGCSA-N 320.414 2.139 0 40 DEAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)NC[C@]1(O)CCSC1 95406320 ZQOMTMVFPSWHNK-DIOULYMOSA-N 306.431 2.087 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cc1cccs1)CC2 95400618 RNQWWSRSIOLWIZ-UONOGXRCSA-N 309.431 2.069 0 40 DEAB CC(C)(C)[C@@H](NC(=O)c1ccc2nncn2c1)C(F)(F)F 73133404 CPOBDJCJWKWLDR-LLVKDONJSA-N 300.284 2.436 0 40 DEAB Cc1[nH]ncc1C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 76085092 CEWOBRBRQUFSLW-NSHDSACASA-N 314.172 2.488 0 40 DEAB C[C@@H](NC(=O)N(Cc1ccccc1)CC(C)(C)O)[C@H]1CCOC1 95987568 QXBQIAWNEIHDNS-ZBFHGGJFSA-N 320.433 2.394 0 40 DEAB O=C(NCCc1nc2c(s1)CCCC2)Nc1cccnn1 95980591 LCXDCKFHTNRZRE-UHFFFAOYSA-N 303.391 2.176 0 40 DEAB CCOC(=O)c1c(N)sc2c1CCN(c1nccc(C)n1)C2 95940424 WVCDFXFHIKHBLG-UHFFFAOYSA-N 318.402 2.168 0 40 DEAB c1cc2c(c([C@H]3CCCN3c3ncnc4[nH]cnc34)c1)OCCO2 78774421 JKZHDCITNQEBCO-GFCCVEGCSA-N 323.356 2.466 0 40 DEAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@@H]3C3CCCCC3)CCO2)n1 78888635 NKNZBELXYWYBME-KFWWJZLASA-N 318.421 2.229 0 40 DEAB COc1ccc(CSCC(=O)NCCCn2ccnc2)cc1 408574946 MVIFHVSMVVYABL-UHFFFAOYSA-N 319.430 2.331 0 40 DEAB Cc1ccccc1CN1CCN(C(=O)c2nnsc2C)CC1 72239909 URQKLBXNGOYXTA-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB CCCOc1cccc(Cn2cc(C(=O)OC)ccc2=O)c1 521396174 MCAMMDIFIIINCH-UHFFFAOYSA-N 301.342 2.472 0 40 DEAB Cc1oc2ccccc2c1CNC(=O)N[C@@H]1CCCCNC1=O 184518482 YWMNEVJVIRFPPK-CQSZACIVSA-N 315.373 2.209 0 40 DEAB Cc1ccc(-n2cc(C(=O)NCCCOC(C)C)nn2)cc1C 38651939 DETJFYJOUIGSNZ-UHFFFAOYSA-N 316.405 2.429 0 40 DEAB Cc1nnsc1C(=O)N1CCC(c2nnc(C(C)C)o2)CC1 38518221 WVHZMUAVGYSIQV-UHFFFAOYSA-N 321.406 2.373 0 40 DEAB Cc1cc(S(=O)(=O)Nc2nonc2C)c(Cl)cc1F 137262987 UWSGRTOAVIEDKL-UHFFFAOYSA-N 305.718 2.280 0 40 DEAB Cc1nn(C)c2cnn(Cc3ccc(C(=O)NC4CC4)cc3)c12 40714581 QFYFSBAZZAATEZ-UHFFFAOYSA-N 309.373 2.019 0 40 DEAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223602192 ZKLHKDPULGGNSA-HUUCEWRRSA-N 317.414 2.338 0 40 DEAB COC[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)cc1 194484891 OJUBTELKSCEEKQ-GLQYFDAESA-N 324.808 2.264 0 40 DEAB COC(=O)N1CCc2ccccc2[C@H]1C(=O)NCC(F)(F)F 75165751 KDKVZAWYKITVCK-NSHDSACASA-N 316.279 2.031 0 40 DEAB CCOC(=O)[C@]1(C(C)C)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 194307576 YNBDVCOGTRGNDC-QGZVFWFLSA-N 321.421 2.007 0 40 DEAB C[C@@]1(C(=O)NCc2cccnc2)CC(c2ccc(F)cc2)=NO1 226749340 RMPHBACFCRHIIE-KRWDZBQOSA-N 313.332 2.420 0 40 DEAB CN1CCN(c2ccc(NC(=O)c3ccccc3)cc2N)CC1 226265412 MGGRLPHXIDPKCA-UHFFFAOYSA-N 310.401 2.273 0 40 DEAB Cc1cccc(CN2CC[C@H]3C[C@@H](C(=O)NC4CC4)O[C@@H]3C2)c1 97953821 GOMWXRTUDCGHKE-RYQLBKOJSA-N 314.429 2.253 0 40 DEAB C[C@H](O)[C@@H]1CCN(C(=O)NCCCN(C)c2ccc(F)cc2)C1 96502510 JGJSKXGCGWCXHW-UONOGXRCSA-N 323.412 2.064 0 40 DEAB Cc1cc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)no1 96042134 TWIZBJADKUBQII-YESZJQIVSA-N 315.373 2.189 0 40 DEAB COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)OC(C)(C)C 96675780 FBOGDNKBFVXJTM-ZDUSSCGKSA-N 307.346 2.227 0 40 DEAB Cc1nc(C2(NC(=O)c3cccc(OC(C)C)n3)CCC2)no1 96484390 XDKVACVRTFYYBO-UHFFFAOYSA-N 316.361 2.369 0 40 DEAB CS(=O)(=O)c1snnc1-c1ccc(Br)cc1 96525374 RZBPUBUFXSDPRM-UHFFFAOYSA-N 319.205 2.371 0 40 DEAB O=C(c1ccccn1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238811859 AMRPDGVLCKKDGW-MRVPVSSYSA-N 312.251 2.113 0 40 DEAB CN(C)C1CCN(C(C)(C)CN[C@@H]2CCN3CCC[C@@H]3C2)CC1 96484339 VLFKBJYQSRUVMU-SJLPKXTDSA-N 322.541 2.007 0 40 DEAB O=C(CN1C(=O)N/C(=C/c2ccccc2)C1=O)Nc1ccccc1 98004169 AEJSUQQMUBYRHL-RVDMUPIBSA-N 321.336 2.218 0 40 DEAB CNc1cc(C)nc([C@@H]2CN(c3nc(C)cc(C)n3)CCO2)c1 257266151 MBUHTXGTSIVUNL-INIZCTEOSA-N 313.405 2.416 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC[C@H](c3nc(C)c[nH]3)C2)cc1 257319604 VTGBRQRVNDQZMQ-ZDUSSCGKSA-N 305.403 2.205 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccnc3)C2)n1 257245352 IPCNBYVRNWKXBP-HNNXBMFYSA-N 310.401 2.481 0 40 DEAB O=C(CSc1ccc(F)cc1)N[C@H]1CCn2nccc2C1 253472725 OPZJOOGKAOGRJX-LBPRGKRZSA-N 305.378 2.246 0 40 DEAB COC[C@H]1CN(Cc2csc(C)n2)CC12CCN(C)CC2 585103817 RSLKQRQNWWOVJB-CQSZACIVSA-N 309.479 2.242 0 40 DEAB O=C1CC[C@]2(CCCN(CC3CC3)CC2)N1C[C@H]1CCCO1 585099889 URGDEMQLYCJNFD-AEFFLSMTSA-N 306.450 2.423 0 40 DEAB CC[C@@H](C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 54507694 VTZUHBKPVHZULG-GFCCVEGCSA-N 319.405 2.387 0 40 DEAB CN(C[C@H]1CCCO1)C(=O)Nc1cccnc1N1CCCC1 58081291 PJORRQSSEZPING-CYBMUJFWSA-N 304.394 2.325 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccncc3)CC2)cc1 56499765 AHXAURBFDNWBKC-UHFFFAOYSA-N 324.384 2.380 0 40 DEAB Cc1nn2cccnc2c1C(=O)NCc1cc(F)ccc1F 69848366 NVZBNUQXZPTMDD-UHFFFAOYSA-N 302.284 2.246 0 40 DEAB O=C(NCCc1cccc(O)c1)C(=O)Nc1ccc(Cl)cc1 76018327 OMIINUJGKGHDDQ-UHFFFAOYSA-N 318.760 2.343 0 40 DEAB CN1C[C@@H](C(=O)N2CCCCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772596010 YOVQKGNFSCOWRK-VYDXJSESSA-N 318.392 2.450 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)c3cc(C)n(C)c3C)n2)cc1 5036305 OMOIVKZXCXVRPR-UHFFFAOYSA-N 309.373 2.487 0 40 DEAB CO[C@H]1CCC[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 12113244 PULVRPUVYSLGIG-ZBFHGGJFSA-N 318.417 2.097 0 40 DEAB CCCOc1ccc(N2C[C@H](C(=O)N3CCCC3)CC2=O)cc1 13999301 SGLITJCBGBVLJA-CQSZACIVSA-N 316.401 2.451 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 169619914 IVAWDFYOOSCURA-IKIFYQGPSA-N 308.381 2.418 0 40 DEAB COc1ccc(C(=O)NN=C/C(Cl)=C(/Cl)C(=O)O)cc1 257352812 NOXOZPQWEXGSLE-GMVAFIIISA-N 317.128 2.185 0 40 DEAB O=C(Nc1nc(C2CC2)cs1)c1cc2c(nn1)CCOC2 1889093104 ZJAUXQXSLUKIAT-UHFFFAOYSA-N 302.359 2.136 0 40 DEAB CSc1nccc(N2CCC[C@H](COc3ncccn3)C2)n1 1889101248 ZPYHTIITBRRIOV-LBPRGKRZSA-N 317.418 2.284 0 40 DEAB O=C(CN1CCN(Cc2ccccc2)CC1)NC1CCCCC1 22796591 QSHHRYLJQFUACV-UHFFFAOYSA-N 315.461 2.253 0 40 DEAB Cc1ccsc1CNC(=O)[C@@H]1CCCN(c2cnccn2)C1 30113453 UQRANSHZRDVXHG-CYBMUJFWSA-N 316.430 2.379 0 40 DEAB O=C(COc1cc(Cl)ccc1Cl)N1CCC(O)CC1 32198198 PHGRWVJTIRGTBY-UHFFFAOYSA-N 304.173 2.356 0 40 DEAB Cc1cc(N2C[C@@H]3CN(Cc4ccccc4F)C[C@H]3C2)ncn1 2087130913 FEJVRQWLXZWFEK-HOTGVXAUSA-N 312.392 2.492 0 40 DEAB O=C1C[C@H](NCCc2cccs2)C(=O)N1c1ccc(F)cc1 4689939 FSNYZAJDMAPNFT-AWEZNQCLSA-N 318.373 2.351 0 40 DEAB CCc1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1 5045317 SSAFJYKIJBDAAA-UHFFFAOYSA-N 304.375 2.179 0 40 DEAB CSCC[C@@H](O)CNC(=O)NC12CC3CC(CC(C3)C1)C2 1775967277 KPLLTHHBONKRSC-MHCOZEDOSA-N 312.479 2.368 0 40 DEAB CCOP(=O)(OCC)[C@@H](NC(C)=O)C(=O)c1ccco1 27061746 OUYXBHVUHHAHLX-GFCCVEGCSA-N 303.251 2.191 0 40 DEAB CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 11566183 NLFCSPCNCHLHQL-QMMMGPOBSA-N 312.218 2.351 0 40 DEAB CN1CCC(n2nc([C@@H]3CCOC3)nc2-c2cc[nH]c2)CC1 97547534 KMSMODGUBMUXAY-CYBMUJFWSA-N 301.394 2.044 0 40 DEAB CNC(=O)[C@H](NC(=O)CS[C@@H](C)C(C)C)c1ccccc1 79077579 BUOPYUXYDLUMJX-SWLSCSKDSA-N 308.447 2.368 0 40 DEAB CN(C)C(=O)[C@@H](c1ccccc1)[P@](=O)(O)c1ccccc1 1717458 NMPNJLWUXHFYNI-OAHLLOKOSA-N 303.298 2.412 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccco2)o1 79588244 WTQSDPAVGWWDME-NWDGAFQWSA-N 303.314 2.469 0 40 DEAB C[C@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCCC1 56156102 QNXIRZACHTWYNI-JTQLQIEISA-N 317.311 2.446 0 40 DEAB COc1ccc(Cc2c(C)nc(N(C)CCO)nc2C)cc1 95348808 GAWFOJMYRQHNRA-UHFFFAOYSA-N 301.390 2.121 0 40 DEAB O=C(O)[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 3864748 CVUMUGYSSLNOMH-HNNXBMFYSA-N 319.382 2.468 0 40 DEAB CN(C[C@H]1CCCOC1)C(=O)/C=C/c1ccc2c(c1)OCO2 107650940 HCFVBRYIMSHYPA-HZRUHFOJSA-N 303.358 2.314 0 40 DEAB NC(=O)[C@@H](NCc1ccccc1Cn1cccn1)c1ccccc1 26225643 HMFBFWMCRMDGOZ-SFHVURJKSA-N 320.396 2.248 0 40 DEAB C[C@@H]1OCC[C@@H]1S(=O)(=O)[C@H](C)c1nc(C(C)(C)C)no1 108360882 DIFOJUKAJBCKQG-AEJSXWLSSA-N 302.396 2.020 0 40 DEAB C[C@H](C(=O)N1CCN(c2cccnn2)CC1)c1ccccc1F 108970256 SJMGGEIAOJHZQI-ZDUSSCGKSA-N 314.364 2.068 0 40 DEAB Cc1ccc(NC(=O)CCc2c(C)[nH]c(=S)[nH]c2=O)c(O)c1 10123553 VXFVSWHRJFRALO-UHFFFAOYSA-N 319.386 2.326 0 40 DEAB CC(=O)N1CCC(NC(=O)Cn2c(C)cc3ccccc32)CC1 44873403 PQZDSQDHSRWAKT-UHFFFAOYSA-N 313.401 2.077 0 40 DEAB C[C@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 100472683 GDYZQHMAUYZCAF-JAYDOHCTSA-N 309.406 2.196 0 40 DEAB C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)[C@@H]1CCCO1 44910391 FLQKMXHWUSFHJS-UBHSHLNASA-N 311.451 2.218 0 40 DEAB CCc1ccc(CNC(=O)N2CCCN(C(C)=O)CC2)s1 44970701 OTPLFJPCGAFIQO-UHFFFAOYSA-N 309.435 2.074 0 40 DEAB CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(F)c2)c1 10314421 OOJBTSNBSFDAMJ-UHFFFAOYSA-N 308.334 2.450 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)N2CCc3c(ncn3C3CC3)C2)n1 95393733 SACOBPMHCBRLRA-ZDUSSCGKSA-N 313.405 2.177 0 40 DEAB Cc1cc2nc(C)c(CCC(=O)NCc3ccccn3)c(C)n2n1 28200198 NMNGWOYSLUBQEE-UHFFFAOYSA-N 323.400 2.299 0 40 DEAB CCc1nnsc1C(=O)N1CCC(=O)Nc2ccccc21 95398635 NLXMUVXFSDFFHD-UHFFFAOYSA-N 302.359 2.090 0 40 DEAB COCCN(C)C(=O)[C@@H]1CCCN(C(=O)CC2=CCCCC2)C1 95389674 LRJYGPDEYVGCEC-MRXNPFEDSA-N 322.449 2.220 0 40 DEAB S=C(NC[C@@H]1COc2ccccc2O1)N[C@H]1C[C@@H]2CC[C@@H]1C2 103151459 GRGQVGNDBSEXTN-SYQHCUMBSA-N 318.442 2.479 0 40 DEAB O=C(CN1CCCCC1=O)NCC1(c2ccc(F)cc2F)CC1 95976901 RCOKAMWYZJRJIR-UHFFFAOYSA-N 322.355 2.125 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N3CCOC[C@H]3C)cnc21 48304370 JTOAQWNZUQYGPE-LLVKDONJSA-N 303.366 2.265 0 40 DEAB Cc1n[nH]cc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 38012204 IULHPFDYOWGPMQ-UHFFFAOYSA-N 307.419 2.494 0 40 DEAB CCc1nnc2c(S(=O)(=O)Nc3ccc(F)cc3)cccn12 62592007 RLNBEFSZRAJGBO-UHFFFAOYSA-N 320.349 2.232 0 40 DEAB COc1ccc2cc([C@H](C)C(=O)NS(C)(=O)=O)ccc2c1 13646055 HFZLMDUPSMGSOP-JTQLQIEISA-N 307.371 2.028 0 40 DEAB NC(=O)c1c(NC(=O)NCc2ccncc2)sc2c1CCC2 6662513 SYBVRGVURXWTGH-UHFFFAOYSA-N 316.386 2.052 0 40 DEAB Cc1nn(C)cc1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2 6921530 KBSMFEVLEHDDNI-UHFFFAOYSA-N 323.462 2.223 0 40 DEAB c1ncn(C[C@H]2CCCCN2Cc2cn3ccsc3n2)n1 71876432 IVLCXAGCVCJNNO-CYBMUJFWSA-N 302.407 2.042 0 40 DEAB CC1(C)C[C@@H](NCC2(O)CCOCC2)CN1Cc1ccccc1 90184903 TXTDICGIOOSUDQ-QGZVFWFLSA-N 318.461 2.171 0 40 DEAB O=c1n(CN2CC=C(c3ccccc3)CC2)nc2ccccn12 9691550 WSRJDUPFEAKURU-UHFFFAOYSA-N 306.369 2.243 0 40 DEAB C[C@H](CC[C@@H]1CCCO1)NC(=O)NCC[S@](=O)C(C)(C)C 110599175 SALIJIMYINJEOZ-RRMDADRESA-N 318.483 2.181 0 40 DEAB Cn1cnnc1C1CCN(C(=O)c2cc3c(s2)CCC3)CC1 24692225 VIQLBWOFQXXEJK-UHFFFAOYSA-N 316.430 2.385 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ncoc1C(C)C)CC2 95400712 ASBGWSVTZYTTMS-CHWSQXEVSA-N 322.405 2.190 0 40 DEAB Cc1cc(F)ccc1NC(=O)CN1C(=O)COc2ccccc21 8231911 ZWTWZCFNIGHQTK-UHFFFAOYSA-N 314.316 2.498 0 40 DEAB CCCc1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1 69665618 WAJOUGMPCKWJPQ-OAHLLOKOSA-N 303.450 2.005 0 40 DEAB O=C(c1cc2c(s1)CCOC2)N1CCC[C@H](n2ccnc2)C1 69620370 WRTQJXMRHXCYTO-ZDUSSCGKSA-N 317.414 2.495 0 40 DEAB CC(C)[C@@](O)(CN1CCC(CC(N)=O)CC1)c1ccccc1 69654318 WZQSHNRKXUOPMV-SFHVURJKSA-N 304.434 2.118 0 40 DEAB CN(Cc1ccco1)C(=O)CCN1C(=O)COc2ccccc21 17791075 DMMQZLFSXHSWJG-UHFFFAOYSA-N 314.341 2.054 0 40 DEAB C[C@@H]1CCCCN1CCCn1c(S)nc2ncccc2c1=O 20618258 HDJWNPCASXEXPY-GFCCVEGCSA-N 318.446 2.345 0 40 DEAB CO[C@](C)(C(=O)N[C@H]1CCc2nc(C)cn2C1)c1ccccc1 72270305 UXERZMUAPGYKKF-YJBOKZPZSA-N 313.401 2.184 0 40 DEAB C[C@@H](NC(=O)NCCOc1ccc(F)cc1F)[C@@H]1CCCO1 72270114 PMTSGBVJCMFSQZ-MFKMUULPSA-N 314.332 2.210 0 40 DEAB COc1c(CNc2ccc(C)c(S(C)(=O)=O)c2)c(C)nn1C 97051237 ZNHRWAPIRDEDDB-UHFFFAOYSA-N 323.418 2.061 0 40 DEAB CN(CC(F)F)S(=O)(=O)c1ccc(OCC(F)F)cc1 97086257 QVOILORBVDPZOK-UHFFFAOYSA-N 315.288 2.216 0 40 DEAB Cc1nc2ccccc2cc1C(=O)N[C@@H]1CCc2nccn2C1 97197398 OBQCZXGVECDMCM-CQSZACIVSA-N 306.369 2.485 0 40 DEAB Cc1cc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)on1 96010223 ZUXSBPMOEOEKPL-UHFFFAOYSA-N 312.333 2.470 0 40 DEAB COc1ccc(NC(=O)/C=C/c2ccccc2)cc1-n1cnnn1 94993027 LMMLIWSLXUUYKD-JXMROGBWSA-N 321.340 2.323 0 40 DEAB Cc1nc(CC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cs1 95991353 JQSJICKWKJWHPT-OFWKBQFLSA-N 324.446 2.432 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cncc(C)c1)c1ccc(F)cc1F 89874142 SJGGTQVYYBMARG-AWEZNQCLSA-N 320.295 2.312 0 40 DEAB COc1ccccc1-c1cc(C(=O)N2CCN(C)C[C@H]2C)no1 89938406 IYVDZFIJZICMOR-GFCCVEGCSA-N 315.373 2.126 0 40 DEAB CC(C)Sc1n[nH]c(NS(=O)(=O)c2ccc(F)cc2)n1 76023430 HKZQTMSAVNBCSN-UHFFFAOYSA-N 316.383 2.245 0 40 DEAB CCOC(=O)CN1C(=O)[C@@H](C(C)C)N(Cc2ccccc2)C1=O 68606526 YRXJDDBNZSCNIS-OAHLLOKOSA-N 318.373 2.039 0 40 DEAB O=C(NC1CCOCC1)[C@H](c1ccccc1)N1CCCCC1=O 66622314 PIDTYCCFEFKLQY-KRWDZBQOSA-N 316.401 2.035 0 40 DEAB c1ccc2nc(CN3CCN(c4cnccn4)CC3)ccc2c1 33670866 GAOWSNYJHCYGEQ-UHFFFAOYSA-N 305.385 2.347 0 40 DEAB CS[C@H]1CC[C@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 72794522 PWGFNXILOHDUAY-KBPBESRZSA-N 303.431 2.410 0 40 DEAB C[C@H]1CN(Cc2cccc(NC(=O)c3cc[nH]n3)c2)C[C@@H](C)O1 78152546 MFFRRAWVYVNTJS-BETUJISGSA-N 314.389 2.271 0 40 DEAB CC(=O)N1CCC[C@@H](c2cc(Nc3cnccn3)nc(C)n2)C1 72360171 OUXMVWJLLZUVIW-CYBMUJFWSA-N 312.377 2.045 0 40 DEAB O=C(C1CCCC1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38907410 AXLRKCZRJPHDHL-UHFFFAOYSA-N 312.417 2.397 0 40 DEAB O=C(NC[C@H](O)COCC1CC1)N[C@H]1CCC[C@@H](C2CC2)C1 74651949 DUNXXUXEIDYXTI-PMPSAXMXSA-N 310.438 2.042 0 40 DEAB C[C@@H](CNC(=O)[C@H](C)n1ccnc1)N(C)Cc1ccccc1 78916732 HDVKYKZAXHREFJ-GJZGRUSLSA-N 300.406 2.081 0 40 DEAB c1nc(NC2CC2)cc(N2CC[C@@H](c3nc(C4CC4)no3)C2)n1 567379364 ABNOJYYMXJYVBF-LLVKDONJSA-N 312.377 2.305 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)CCc1ccc(F)cc1 79042198 XMELYRIPTATWRG-LBPRGKRZSA-N 315.410 2.040 0 40 DEAB O=C(Nc1nc2c(s1)COCC2)c1ccc2c(c1)OCO2 75166188 UBIWQIMZRZNOPS-UHFFFAOYSA-N 304.327 2.197 0 40 DEAB CCn1nc(C)c(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c1C 81818754 IJADRAVALXKAKO-KRWDZBQOSA-N 319.405 2.367 0 40 DEAB CC(C)Oc1ccc(NC(=O)C2(C(=O)N(C)C)CC2)c(F)c1 225802558 KKUMCOUZSDJWNB-UHFFFAOYSA-N 308.353 2.420 0 40 DEAB CC(C)(C)C(=O)c1cc(C(=O)O)c(=O)n(-c2ccccc2F)n1 225968038 ILBZXIKPETYXIO-UHFFFAOYSA-N 318.304 2.299 0 40 DEAB Cc1ccc2cnn(CCC(=O)NCCCn3ccnc3)c2c1 40769087 WAFHLDKHQYWLPV-UHFFFAOYSA-N 311.389 2.138 0 40 DEAB CCc1ccc(S(=O)(=O)N(CCO)c2ccccc2)s1 48653865 LSUHBEXYGZAKBP-UHFFFAOYSA-N 311.428 2.498 0 40 DEAB CC(=O)Nc1cnn(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c1 572975165 NEEDYRRWNMOJPG-NSHDSACASA-N 318.352 2.200 0 40 DEAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3cccnc3)c2c1 225754125 BKGDHPAXGOJYPK-UHFFFAOYSA-N 321.380 2.330 0 40 DEAB C[C@H]1CN(CC(=O)Nc2nc3ccc(F)cc3s2)CCO1 69369080 SCJRBCAAGQGBPD-VIFPVBQESA-N 309.366 2.095 0 40 DEAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCCOC 222902314 GYCAEOUMDBANHU-ZDUSSCGKSA-N 324.396 2.106 0 40 DEAB Cc1n[nH]c(SCCNC(=O)C2(c3ccccc3)CC2)n1 225988702 OJSZPEXVVSSTMF-UHFFFAOYSA-N 302.403 2.053 0 40 DEAB COc1ccc(Cc2cc(C)n[nH]c2=O)cc1Br 199774739 ZOXFHNXZSGVOSM-UHFFFAOYSA-N 309.163 2.440 0 40 DEAB O=C1COC2(CCN(CC3CC3)CC2)CN1c1ccsc1 96049255 JOCIHUQDURUGFF-UHFFFAOYSA-N 306.431 2.356 0 40 DEAB C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CNC(=O)OCC(F)(F)F 96411696 PRNHAYNUPWTOKN-AXFHLTTASA-N 322.327 2.455 0 40 DEAB O=C(c1ccsc1)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184442 SPDTUNUYWYYIAH-JKSUJKDBSA-N 320.458 2.464 0 40 DEAB C[C@H]1CN(C(=O)CCc2ccncc2)CCN1CC(F)(F)F 96486084 JYBXLWXYIZFJNW-LBPRGKRZSA-N 315.339 2.109 0 40 DEAB C[C@@H](NC(=O)NCCc1ccc(F)cc1F)c1cnn(C)c1 96440157 OFORELWDWCQDJE-SNVBAGLBSA-N 308.332 2.301 0 40 DEAB C[C@@H](C(=O)N(C)C)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96415723 LLPIOTHOZRIAPQ-JSGCOSHPSA-N 306.381 2.197 0 40 DEAB Cc1cccc(NC[C@@H]2CCN(CC(=O)N3CCCCC3)C2)n1 97200847 ZFGAUMXWGFCCBG-INIZCTEOSA-N 316.449 2.136 0 40 DEAB CCNC(=O)N1CCC(NCc2cccc(N(C)C)c2)CC1 96492708 QOECDQWLJSFCRS-UHFFFAOYSA-N 304.438 2.036 0 40 DEAB CCc1cc(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)on1 96440757 HXKJCXNJHCOATA-SNVBAGLBSA-N 319.409 2.018 0 40 DEAB CN(C)C(=O)c1cccc(NC(=O)Cc2cc(F)ccc2F)n1 96437404 HOWORUJCHUOFKK-UHFFFAOYSA-N 319.311 2.243 0 40 DEAB Cn1cc(N2CC[C@H](N[C@@H]3CCC[C@H]3c3ccccc3)C2=O)cn1 253369384 BXRDBLIVYVPQMK-KSZLIROESA-N 324.428 2.451 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 48273004 RHLOXNXIBPVOEX-MRXNPFEDSA-N 310.401 2.324 0 40 DEAB CCn1nccc1S(=O)(=O)Nc1cc(C)c(C)cc1C(=O)O 279860298 FPVRSQBVLIXXKA-UHFFFAOYSA-N 323.374 2.019 0 40 DEAB c1cnc(O[C@H]2CN(Cc3cccnc3)Cc3cccn3C2)nc1 585112512 QMARTCMVGBXSRG-KRWDZBQOSA-N 321.384 2.137 0 40 DEAB Cc1cc(S(=O)(=O)NC[C@H](O)C2CCCCC2)ccc1F 70636716 KHSBCWOFPURQCR-HNNXBMFYSA-N 315.410 2.354 0 40 DEAB CN(CCCNC(=O)c1ccc(Cl)nn1)Cc1ccccc1 57963364 BJGCATRMPZEMFO-UHFFFAOYSA-N 318.808 2.382 0 40 DEAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CCN(C)C[C@H]1C 89548258 XRAQATKIVDDQQU-LLVKDONJSA-N 319.430 2.417 0 40 DEAB CCS(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 655641576 INGOTPFGLAIDTG-UHFFFAOYSA-N 305.403 2.159 0 40 DEAB CCc1nc(Cl)c(C)c(N[C@@H](C)CS(=O)(=O)CC)n1 96449402 CRLLGOPYGOHDJG-QMMMGPOBSA-N 305.831 2.236 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1 169356246 NUKVTKVDDZWCBT-MPTQWLOMSA-N 311.337 2.314 0 40 DEAB Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1[C@@H]1CCOC1 527706778 YJTVEDMKCNXBBY-CQSZACIVSA-N 316.405 2.072 0 40 DEAB CO[C@@]1(C(=O)O)CCN(Cc2cccc(C(F)(F)F)c2)C1 530170292 XFOUSHZJTFBNAD-ZDUSSCGKSA-N 303.280 2.381 0 40 DEAB Cc1ccc(OCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1C 12050962 ISHHGNNHRDXYHP-KRWDZBQOSA-N 312.369 2.025 0 40 DEAB Cc1ccc(CN(C)C(=O)Cn2c(=O)oc3ccccc32)o1 5824430 SIELXNJUGIENER-UHFFFAOYSA-N 300.314 2.155 0 40 DEAB Cc1cccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1O 18067663 CSHGWIZYYHIDEZ-TXEJJXNPSA-N 305.374 2.362 0 40 DEAB C[C@H](C(=O)OCC(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 2061000643 DOJZLLNWERACBS-SMDDNHRTSA-N 304.342 2.330 0 40 DEAB Cc1cc(CN2CCN(Cc3ccncc3F)[C@H](C)C2)no1 2086894067 OWOADWSUNVGJHL-GFCCVEGCSA-N 304.369 2.223 0 40 DEAB Cc1nc2sccn2c(=O)c1NC(=O)Cc1cccs1 8931604 KCCLWJZDCJGDBL-UHFFFAOYSA-N 305.384 2.307 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cccn2)cc1OC 40488891 HNWUPNCPLDJKTI-AWEZNQCLSA-N 315.373 2.264 0 40 DEAB COc1cccc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 40475559 WQPYFPDPAYRCHI-UHFFFAOYSA-N 312.369 2.213 0 40 DEAB COc1cccc(N2CCN(C(=O)c3ccc(C)n3C)CC2)c1 31384062 SUFUTXCOSRIATL-UHFFFAOYSA-N 313.401 2.305 0 40 DEAB Cc1ccnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1 419483 INDVOUKUQNAULC-UHFFFAOYSA-N 303.343 2.245 0 40 DEAB O=C(Nc1ccncc1)C1=NN(Cc2ccccc2)C(=O)CC1 40553480 GQLPXYRIFZEBPS-UHFFFAOYSA-N 308.341 2.199 0 40 DEAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 40597635 PVJLGWQJMAJHOS-GFCCVEGCSA-N 316.854 2.269 0 40 DEAB Cc1cc(CN2CCC(N(C)C(=O)C3[C@H]4CCC[C@H]34)CC2)on1 101478089 AWJSBQZPMYBYKU-HOTGVXAUSA-N 317.433 2.452 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)c1ccccc1Oc1cccnc1 51977706 HTDAOMKORCZRIL-LBPRGKRZSA-N 313.357 2.128 0 40 DEAB CN1C(=O)c2ccc(NC(=O)OCC(F)(F)F)cc2C1=O 32628818 KTAYDOHWDCOKMT-UHFFFAOYSA-N 302.208 2.023 0 40 DEAB Cc1ccccc1[C@@H](CC(=O)Nc1nccs1)NC(N)=O 32796375 DSERRTCIMFRVQB-LLVKDONJSA-N 304.375 2.190 0 40 DEAB Cc1cccc(C)c1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 32827195 HNXLHGZBRKKAMT-UHFFFAOYSA-N 322.386 2.399 0 40 DEAB O=C(O)c1ccc2c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c2c1 21966602 KQAPWDPUWNKAQD-UHFFFAOYSA-N 316.700 2.031 0 40 DEAB Cc1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)no1 41462156 IWQKYDKYQGOVGK-UHFFFAOYSA-N 300.362 2.333 0 40 DEAB O=C(c1ccc(N2CCOCC2)nc1)N1CCc2ccccc21 22008058 XZYBXNPUWFJNGS-UHFFFAOYSA-N 309.369 2.121 0 40 DEAB COc1cc(CNC[C@@H]2CCN(C3CC3)C2)cc2c1OCCO2 30907052 AFELRFHTYSWBKN-ZDUSSCGKSA-N 318.417 2.040 0 40 DEAB CC(C)[C@@H]1N=C(N)N=C(N)N1c1ccc(Cl)c(Cl)c1 1722912 SNLGCLVYDGNJFD-SNVBAGLBSA-N 300.193 2.425 0 40 DEAB O=C(CCc1ccsc1)N[C@H]1CCCN(c2ncccn2)C1 40553733 PBRILBPTXVBEEA-AWEZNQCLSA-N 316.430 2.256 0 40 DEAB C[C@@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccn1 40540143 OPFHTVHGCAKBHX-GFCCVEGCSA-N 310.419 2.006 0 40 DEAB CCn1c(=O)c2ccccc2n(CCOc2ccccc2)c1=O 4999939 PHYZCXGKXPNRTG-UHFFFAOYSA-N 310.353 2.262 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)NC2CCCC2)c(C)s1 6680119 JKDFCWUZEQTWIE-UHFFFAOYSA-N 316.448 2.027 0 40 DEAB O=C(O)COc1ccc(NC(=O)c2cccnc2Cl)cc1 8051412 VMYLANVHPGAVHJ-UHFFFAOYSA-N 306.705 2.451 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](CC(C)C)NC(N)=O 29389722 FHCVMWURTBLWCY-GXTWGEPZSA-N 321.421 2.264 0 40 DEAB CC(=O)NC[C@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1 9100945 TVHUSNFBBWOTGS-VIFPVBQESA-N 303.145 2.455 0 40 DEAB Cc1cc(CNc2cccc(S(=O)(=O)N3CCCC3)c2)no1 32904987 DACZRWWWTSPKIH-UHFFFAOYSA-N 321.402 2.380 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc2ccccc2nc1[O] 102856966 NVTYSGWCNZQUGR-CYBMUJFWSA-N 312.305 2.180 0 40 DEAB COc1ccc2c(c1)CCCN2C(=O)COc1cc(C)on1 21975804 VMLAROBUMDZPJG-UHFFFAOYSA-N 302.330 2.350 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n[nH]1 57095190 FKPCNZATVQNZPN-GFCCVEGCSA-N 301.394 2.477 0 40 DEAB C[C@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1 33889522 JADBWJCNOZTILT-CYBMUJFWSA-N 314.429 2.323 0 40 DEAB CCCC(=O)Nc1cc(N2CCN(C)CC2)c(N)cc1Cl 57326736 GPVJGANQJZRMLH-UHFFFAOYSA-N 310.829 2.413 0 40 DEAB Cn1cc(C(=O)N[C@H](C(N)=O)c2ccccc2)c2ccccc21 55149255 PPGGQFXXMDCTCK-INIZCTEOSA-N 307.353 2.135 0 40 DEAB COc1ccc(-n2ccc(C(=O)Nc3ncccc3O)n2)cc1 55133956 WQAWTUXZPXFKGL-UHFFFAOYSA-N 310.313 2.234 0 40 DEAB C[C@@H]1CN(C(=O)c2snnc2-c2ccccc2)C[C@@H](C)O1 1392871 WMTHUZNYUNSKRO-GHMZBOCLSA-N 303.387 2.455 0 40 DEAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)O)C1 37435999 RKFYXZLLQZEWKE-QWRGUYRKSA-N 311.765 2.431 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)C1 2916953 IOTQKSWXEPZJNM-GFCCVEGCSA-N 324.384 2.058 0 40 DEAB CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccccc1Br 25380483 LAGZQAWAKYKMAB-DTWKUNHWSA-N 313.195 2.151 0 40 DEAB CN(C)[C@H](CNc1ncnc2c1cnn2C)c1ccsc1 26720492 FYSKDIZIDUGJMZ-GFCCVEGCSA-N 302.407 2.140 0 40 DEAB COc1ccc(NC(=O)NC(=O)CN(CC(C)C)C2CC2)cc1 27110398 YAYBGLDEQBKVKE-UHFFFAOYSA-N 319.405 2.464 0 40 DEAB CCOCc1cccc(CNC(=O)c2ccc(C(N)=O)cc2)c1 58282053 NOCWNZVAMLWSKL-UHFFFAOYSA-N 312.369 2.252 0 40 DEAB Cc1nc(CCNC(=O)NC[C@@H](O)c2ccccc2F)cs1 44955348 QFFXDEYOAAJOEN-CQSZACIVSA-N 323.393 2.166 0 40 DEAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1N 20027663 AXQYVGKXAQLYLM-UHFFFAOYSA-N 300.314 2.301 0 40 DEAB COC(=O)[C@H](NCCN(C)C)c1ccc(Cl)c(Cl)c1 37964858 AEQKJSMTBSTZAY-GFCCVEGCSA-N 305.205 2.359 0 40 DEAB in-vitro Cc1ccc(CNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1 13007292 STCJBGLSLDZZRB-UHFFFAOYSA-N 321.380 2.330 0 40 DEAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)NOCc1ccccc1 49244680 FCDVTUOKRIBNAG-OAHLLOKOSA-N 322.311 2.429 0 40 DEAB Cc1nc(NCCc2[nH]nc3c2CCCC3)c2nc(C)oc2n1 63847450 JYMDOOXWWSOUAF-UHFFFAOYSA-N 312.377 2.491 0 40 DEAB Cc1cc(C)c(S(=O)(=O)Oc2ccccc2C(N)=O)c(C)c1 5120778 VWADUWXZJYKOEY-UHFFFAOYSA-N 319.382 2.478 0 40 DEAB C[C@H](NC(=O)c1cccc2c1C(=O)N(c1ccccc1)C2)C(=O)O 5269351 PXEVHTSLUVIVTB-NSHDSACASA-N 324.336 2.050 0 40 DEAB Cc1ccc([C@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)o1 5274696 IACUPSOPQKNKNV-ZDUSSCGKSA-N 303.387 2.492 0 40 DEAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccncc1 5322856 DKUZDDXNHDEGOB-GFCCVEGCSA-N 324.336 2.272 0 40 DEAB biogenic COC(=O)CCCCCNC(=O)Nc1ccccc1C(=O)OC 5354937 MBKDTMQQAANDDK-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB C[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 14138074 ULNVSILHVJHWQS-CQSZACIVSA-N 315.417 2.484 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)Cc3cn4ccccc4n3)C2)c1 69437123 BRXHZZUSEKUNFJ-INIZCTEOSA-N 323.400 2.245 0 40 DEAB Cc1nnc(S[C@H](C)C(=O)NC2CC2)n1Cc1ccccc1 6531816 IXUAMPFGVYWCNI-LLVKDONJSA-N 316.430 2.394 0 40 DEAB Cn1cnnc1C1CCN(C(=O)c2csc(C3CC3)n2)CC1 69489221 KXBMLNQENCXIFI-UHFFFAOYSA-N 317.418 2.169 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc2c(c1O)OC(C)(C)C2 70040474 UINKMKLCEDDAES-NSHDSACASA-N 315.373 2.121 0 40 DEAB CCN(CC)C(=O)CCCNC(=O)c1ccc(CN(C)C)cc1 69517654 PWXUJVYYSNZZMG-UHFFFAOYSA-N 319.449 2.127 0 40 DEAB CCCNC(=O)CSc1nnc(-c2ccccc2F)n1C 4947050 NYBYQZKGHFUBDI-UHFFFAOYSA-N 308.382 2.240 0 40 DEAB CN1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)n1 15250573 IZOUYBPCGGMYPH-INIZCTEOSA-N 305.341 2.464 0 40 DEAB Cc1ccc(N2CC[C@@H](N3C[C@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 110648924 SCEKIZVGVKGAJC-CWQOZTLDSA-N 312.413 2.210 0 40 DEAB O=C(COc1ccc(N2CCCC2=O)cc1)NC1CCCC1 7062618 JMQCYDVIUIMXQF-UHFFFAOYSA-N 302.374 2.251 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)CCNC(=O)c1ccco1 15471317 RUPYKZGXGFAJDE-LBPRGKRZSA-N 316.357 2.286 0 40 DEAB Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1cccnc1 96451101 BZGKZTDPSUROQB-LBPRGKRZSA-N 304.371 2.366 0 40 DEAB C[C@@H](NC(=O)Nc1ccc2c(c1)CCO2)C(=O)NC(C)(C)C 71850139 TUARVFMSXYRMPQ-SNVBAGLBSA-N 305.378 2.046 0 40 DEAB Cc1cc(C)cc(NCCC(=O)NCC(=O)N2CCCCC2)c1 71889080 VMEWKMFBFGNRBJ-UHFFFAOYSA-N 317.433 2.234 0 40 DEAB CC[C@@H]1C[C@@H]1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 71908193 FRWKHTWIYDELLQ-CJNGLKHVSA-N 313.401 2.318 0 40 DEAB Cc1c(C2CC2)n[nH]c1NC(=O)c1ccc(-n2ccnn2)cc1 89803894 SAOMKHFEXSRXJX-UHFFFAOYSA-N 308.345 2.429 0 40 DEAB C[C@H](CNC(=O)NCCCNC(=O)C1CCC1)c1cccs1 89901043 ZXVBWGDRVRUELV-GFCCVEGCSA-N 323.462 2.457 0 40 DEAB CCOc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2)cn1 75572672 KDVCKGQSMVWOSC-CQSZACIVSA-N 314.341 2.426 0 40 DEAB Cc1nc(NC(=O)CN[C@@H](C)[C@@H](C)n2cccn2)sc1C 75606727 GOLMKYLBCXNYGN-GXSJLCMTSA-N 307.423 2.134 0 40 DEAB CC[S@](=O)CCNC(=O)c1occc1COc1ccccc1 72283747 QWXAMLZAJRBUNQ-JOCHJYFZSA-N 321.398 2.357 0 40 DEAB C[C@@H]1COC2(CCN(C(=O)c3cc(F)cc4[nH]cnc34)CC2)O1 72291742 HCQLWDRHNDNCAM-SNVBAGLBSA-N 319.336 2.070 0 40 DEAB CC[C@@](C)(CO)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 72313585 APRYXFIURNKMJU-KRWDZBQOSA-N 321.421 2.497 0 40 DEAB CCCC(=O)NCC(=O)N[C@@H]1C[C@H](OCC)C12CCCCC2 76042215 UHNOAOHNWJITHU-KGLIPLIRSA-N 310.438 2.147 0 40 DEAB CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1Br 95411806 ZEDBWFXOYFRJLD-QMMMGPOBSA-N 305.147 2.481 0 40 DEAB Cn1cnnc1-c1ccnc(NCc2ccc3c(c2)OCCO3)c1 95447468 FKRRDIYCMZFJLJ-UHFFFAOYSA-N 323.356 2.260 0 40 DEAB O=C(NCCCOCC(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@H]12 98020307 JFCLUWJNIHQSFX-IJLUTSLNSA-N 324.343 2.212 0 40 DEAB CC(C)c1nccn1C[C@@H](O)c1ccc(S(C)(=O)=O)cc1 95974646 FUTOPSSEZJQFIY-CQSZACIVSA-N 308.403 2.144 0 40 DEAB Cc1c(C(=O)N[C@H](C)CC(=O)O)cnn1-c1cccc(Cl)c1 95970375 LYKJINDXDMZJTI-SECBINFHSA-N 321.764 2.427 0 40 DEAB C[C@H](C(=O)O)n1ncc(I)c1C(F)F 408716474 NMYDLNZNPOFLLY-GSVOUGTGSA-N 316.045 2.071 0 40 DEAB CCOc1ccc(S(=O)(=O)N[C@H](C)COC)cc1Cl 408586561 ANNRUJCHSPBWEI-SECBINFHSA-N 307.799 2.052 0 40 DEAB COCCCNC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 30864797 AHCXWKPOHHIINA-NSHDSACASA-N 313.419 2.337 0 40 DEAB C[C@H](O)CNC(=O)c1cccc(OCc2cccnc2Cl)c1 77240072 KSKUQKDZWFCTML-NSHDSACASA-N 320.776 2.425 0 40 DEAB C[C@](NC(=O)c1nccc2ccccc12)(C(N)=O)c1ccccc1 78979441 HSCZARPBERCEDT-LJQANCHMSA-N 319.364 2.365 0 40 DEAB CNC(=S)Nc1cc(/C=C/C(=O)O)ccc1Br 216929465 YHIFMCQJTUQUFN-HWKANZROSA-N 315.192 2.463 0 40 DEAB CCCNc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1C(=O)O 217556281 LDJYHYZAJYNBQD-JTQLQIEISA-N 314.407 2.284 0 40 DEAB CCc1nnsc1C(=O)N(C)Cc1ccc(C(=O)OC)cc1 30205175 CXUZXBUFIYXPOI-UHFFFAOYSA-N 319.386 2.159 0 40 DEAB Cn1cc(CN2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cn1 72389995 JUOMZSBWPPOAGB-HNNXBMFYSA-N 324.388 2.245 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(O)nc2ncn(C)c12 565439865 WCCKJAYTDKDFCF-WDEREUQCSA-N 320.418 2.078 0 40 DEAB O=C(NCCOc1ccc(F)cc1)[C@H]1COc2ccccc2O1 45857311 JQNRVWBCPBDELD-MRXNPFEDSA-N 317.316 2.161 0 40 DEAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CCCc3occc32)C1 194898881 OXMCHTZGIVKJOS-DMDPSCGWSA-N 306.362 2.298 0 40 DEAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223038847 OTVDAUBBFBTJDC-GJZGRUSLSA-N 316.430 2.419 0 40 DEAB CN1CCN(c2c(N)cc(Br)cc2Cl)CC1 45885947 XSCDMAMWPNCYPT-UHFFFAOYSA-N 304.619 2.437 0 40 DEAB CN1C(=O)c2ccc(F)cc2O[C@H]2CN(C3CCCC3)C[C@H]21 514288625 IDQHSIMMAKXNIR-ZBFHGGJFSA-N 304.365 2.286 0 40 DEAB biogenic,in-vitro CC(C)CN1CCC2(CCN(C(=O)N3CCCC3)CC2)C1=O 96046780 WJVUVKLYUQCKFD-UHFFFAOYSA-N 307.438 2.173 0 40 DEAB O=C(OCCNc1ncnc2ccccc12)c1cscn1 96459899 LJLVCUWBBGQUHF-UHFFFAOYSA-N 300.343 2.355 0 40 DEAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1Cc1ccncc1 96201255 MCFDVGXEJZJKOT-AWEZNQCLSA-N 308.389 2.100 0 40 DEAB O=C1CCCN1[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21 96040605 VNFKLQXVGHQYBE-LXZKKBNFSA-N 320.458 2.350 0 40 DEAB Cn1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3ccccn23)n1 96266655 IYMGVULJDPFZDF-CYBMUJFWSA-N 324.384 2.249 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CC(=O)N(C)c3ccccc32)n1 96450788 PQYAHLWQDABICG-UHFFFAOYSA-N 316.748 2.062 0 40 DEAB O=C(CN1CCO[C@@H]2CCC[C@H]21)NCc1ccc(Cl)cc1 230082172 LKCSKTBOYADEFQ-HUUCEWRRSA-N 308.809 2.210 0 40 DEAB CCOCCCn1c(=O)c2c(C(F)(F)F)cc(C)nc2n1C 95402953 BSISPSKOITYWHT-UHFFFAOYSA-N 317.311 2.489 0 40 DEAB O=C(NC1(c2ncon2)CCOCC1)[C@H]1C[C@H]1C1CCCCC1 97378217 ZMGKSHSGTJUVCY-KBPBESRZSA-N 319.405 2.408 0 40 DEAB O=C(Nc1cccc2nonc12)c1cc(-c2cccnc2)n[nH]1 96117455 JWVLPRKEGKZPET-UHFFFAOYSA-N 306.285 2.260 0 40 DEAB CN(C)c1cc(CNC(=O)c2cnccn2)c2ccccc2n1 96441236 LAKJSRDQUWKHRN-UHFFFAOYSA-N 307.357 2.021 0 40 DEAB CC(C)C(=O)N1Cc2cccn2C[C@H](OCc2ccncc2)C1 248175415 VKYRSFQQEOAHFW-KRWDZBQOSA-N 313.401 2.467 0 40 DEAB Cc1ccc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)o1 248121200 VHDSLJNSIPZYDD-CQSZACIVSA-N 315.373 2.190 0 40 DEAB Cc1c[nH]c(-c2nccnc2[C@H]2CCCN2c2ccncn2)n1 257288876 PWBBECXYEATJFI-GFCCVEGCSA-N 307.361 2.307 0 40 DEAB CCn1nc(C)c(CNCc2ccn(CC(F)(F)F)n2)c1F 256051931 LDEDAJXTIYQFBS-UHFFFAOYSA-N 319.306 2.399 0 40 DEAB O=C(c1ccccn1)N1CCO[C@H](Cc2ccc(F)cc2)C1 257223705 DYOIPSLWGAUCDR-OAHLLOKOSA-N 300.333 2.304 0 40 DEAB CCc1nnc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)s1 252513911 ARLNGPZTDFZTCS-STQMWFEESA-N 316.430 2.384 0 40 DEAB Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)O)cc2)o1 262842701 HBPNJVBTPKXFLR-QWHCGFSZSA-N 315.329 2.028 0 40 DEAB CC(C)NC(=O)[C@@H](C)ONC(=O)c1cccc(C(F)(F)F)c1 58008776 IAIUOQIWLQTDSM-SECBINFHSA-N 318.295 2.280 0 40 DEAB O=C(c1cccc(O)c1)N1CCN(c2nc3ccccc3o2)CC1 58331179 KXNYUHUNSSTVAM-UHFFFAOYSA-N 323.352 2.496 0 40 DEAB C[C@@H](NC(=O)COCc1nc2ccccc2[nH]1)c1ccccn1 19719881 JCGMZNMWVNNJGN-GFCCVEGCSA-N 310.357 2.352 0 40 DEAB Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](C(=O)N(C)C)C2)cc1 19747940 YYWHALBMGVOEGN-CQSZACIVSA-N 302.418 2.209 0 40 DEAB Cc1ccc(OCC2CCN(C(=O)c3cscn3)CC2)nn1 1775995448 WNQYPJGODDJBNJ-UHFFFAOYSA-N 318.402 2.173 0 40 DEAB CCN1CCO[C@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@H]2C1 1565553333 UNFYYZITNICEDN-QAETUUGQSA-N 308.466 2.382 0 40 DEAB COc1ccc(C(=O)NCCc2cn3ccsc3n2)cc1 4248531 FHNUQGIPSYNVFZ-UHFFFAOYSA-N 301.371 2.377 0 40 DEAB Cc1nc2n(n1)-c1nnc(S)n1-c1sc3c(c1-2)CCCC3 6861473 XJCPZFKFFKOQJN-UHFFFAOYSA-N 316.415 2.366 0 40 DEAB CC(=O)N1Cc2cn(CC3CC3)nc2[C@@H](COCC2CC2)C1 2055751063 CVYZNIYYIKNTSC-MRXNPFEDSA-N 303.406 2.165 0 40 DEAB Cn1ccc2c(N3CCC(Oc4nccs4)CC3)ncnc21 2086887025 RFUZEUPQALHPIL-UHFFFAOYSA-N 315.402 2.473 0 40 DEAB O=C(Cc1ccsc1)NC[C@@H](c1ccco1)n1cccn1 575613321 FOSQISXZLDSOPB-ZDUSSCGKSA-N 301.371 2.486 0 40 DEAB CC(=O)N1CCc2cc(NS(=O)(=O)c3cccs3)ccc21 1094912 VOFRMKNBOSHELM-UHFFFAOYSA-N 322.411 2.458 0 40 DEAB CC[C@H]1CN(Cc2nc3ccccc3o2)CCN1C[C@H](C)O 106906692 IVUWYJMOZCXOFV-KBPBESRZSA-N 303.406 2.105 0 40 DEAB CN(Cc1ccsc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 26089469 OXNKPJBUKCONOB-SMDDNHRTSA-N 310.444 2.161 0 40 DEAB CCNC(=S)N1CCC(NC(=O)c2cccc(C)c2)CC1 4888558 APBKKEIJPUCLKE-UHFFFAOYSA-N 305.447 2.084 0 40 DEAB CN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C1=O 100626334 LFEAVWLHJKHTBV-IHRRRGAJSA-N 314.366 2.224 0 40 DEAB C[C@@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCO1 57446299 MKZYTROEDUZNTI-LLVKDONJSA-N 305.765 2.387 0 40 DEAB Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@@H]1CCCO1)C(C)C 36022541 BLYTVNFKCAWBBL-GOEBONIOSA-N 318.417 2.045 0 40 DEAB CC[C@@](C)(NC(=O)CCc1ccc(OC)c(F)c1)C(=O)OC 58201741 VXCCFGBVABQCOX-MRXNPFEDSA-N 311.353 2.225 0 40 DEAB CC(C)CCN(CCC(C)C)C(=O)CSc1nnnn1C 3307349 MXJYDQSNYGUKJP-UHFFFAOYSA-N 313.471 2.223 0 40 DEAB CN(Cc1cscn1)C(=O)c1ccccc1N1CCOCC1 58379900 ALUMWIZZTNMITR-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB Cc1ccnc2nc(C(=O)NC3(c4ccccc4)CCC3)nn12 58392810 MOAZPGYFULBTMX-UHFFFAOYSA-N 307.357 2.242 0 40 DEAB C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1cccn1 45074918 XDJVRKPCNJSDTE-WFASDCNBSA-N 303.337 2.183 0 40 DEAB Cc1ncc(CN(C)C(=O)c2ccnc(-n3ccnc3)c2)s1 58495807 QAOOJCIWYUZXDN-UHFFFAOYSA-N 313.386 2.304 0 40 DEAB CCCN(CCC)C(=O)CN[C@H](C(=O)OCC)[C@H](C)CC 95466655 OERNTCWNAJFUPG-HIFRSBDPSA-N 300.443 2.202 0 40 DEAB O=C(NC[C@H](O)C1CC1)N[C@@H](c1cc(F)ccc1F)C1CC1 74894088 JYVUXBMTFDULHE-LSDHHAIUSA-N 310.344 2.486 0 40 DEAB C[C@H](NC(N)=O)C(=O)Nc1ccc(OCc2ccccc2)cc1 3302126 HCEIOBBVDGWTKR-LBPRGKRZSA-N 313.357 2.261 0 40 DEAB NCC(=O)N[C@@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 100337132 VHONRWKVLKYBPO-SJORKVTESA-N 301.434 2.037 0 40 DEAB Cc1ccccc1N(CCCC(=O)N1CCCC1)S(C)(=O)=O 113967222 MEJOPECMFVEEKH-UHFFFAOYSA-N 324.446 2.164 0 40 DEAB Cc1cccc(OC[C@@H](O)CN2CC(=O)Nc3ccccc32)c1 12534271 NXYOKTITDXDAMC-AWEZNQCLSA-N 312.369 2.193 0 40 DEAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCCCCO)cc1 170389795 IIIQNVMIFSFZRT-UHFFFAOYSA-N 306.406 2.201 0 40 DEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 3188220 SQHQUVPFOHBARY-AWEZNQCLSA-N 312.325 2.275 0 40 DEAB CCCN(CCC)C(=O)CN[C@@H](C(=O)OCC)[C@@H](C)CC 95466654 OERNTCWNAJFUPG-DZGCQCFKSA-N 300.443 2.202 0 40 DEAB O=C(NC[C@@H]1CCOC1)c1cccc(OCc2cscn2)c1 48286360 TUTLQOIKPVQVDQ-LBPRGKRZSA-N 318.398 2.488 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2ccco2)C1 12868353 ZEGIQUGDCWWSMO-JTQLQIEISA-N 305.359 2.227 0 40 DEAB O=C(Nc1nncs1)c1ccc(OC[C@@H]2CCCO2)cc1 13004829 KYBTWZSNLAPUCM-LBPRGKRZSA-N 305.359 2.348 0 40 DEAB CCc1ccc([C@H](C)NC(=O)C2CCN(C(N)=O)CC2)cc1 13042267 LVMDUJLUPDDUHN-LBPRGKRZSA-N 303.406 2.217 0 40 DEAB Cc1ccc(CN(C)CCC(=O)Nc2sccc2C(N)=O)o1 13007700 KRMNKYFTMXBLRU-UHFFFAOYSA-N 321.402 2.209 0 40 DEAB CNC(=O)C1CCC(NC(=O)c2cc(C)n(C3CC3)c2C)CC1 63260067 ZRMZJCMOSGWBOR-UHFFFAOYSA-N 317.433 2.474 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cnc(-c2ccccc2)s1 49674305 KFWAIINRWCOFST-UHFFFAOYSA-N 304.371 2.492 0 40 DEAB O=C(Cn1cccn1)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 96412552 LFSOFFIJAIWKKB-CVEARBPZSA-N 315.373 2.204 0 40 DEAB FC(F)CN1CCC(NCc2ccc(-n3cccn3)nc2)CC1 95419887 KQSLRYYHNIYIED-UHFFFAOYSA-N 321.375 2.086 0 40 DEAB NC(=O)CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCCC1 65491513 RUNZFQNUSFDKTE-LSDHHAIUSA-N 304.365 2.186 0 40 DEAB COCCN1CCC[C@H]1CNC(=O)c1cc2ccccc2o1 65493485 IFSFICBPNRJCSJ-AWEZNQCLSA-N 302.374 2.273 0 40 DEAB C[C@@H]1C[C@@H]1CNC(=O)N1CCC(c2nnc3ccccn23)CC1 65412484 IBUHVCGNXVDRNX-TZMCWYRMSA-N 313.405 2.274 0 40 DEAB CCn1cnnc1CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 65423377 FYFKXMDZIMDDAK-YPMHNXCESA-N 302.378 2.263 0 40 DEAB Cc1ccc(CNC(=O)C[C@@H](NC(N)=O)c2cccs2)cc1 14071547 RMKQWLNPYLDTMQ-CYBMUJFWSA-N 317.414 2.472 0 40 DEAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 14159781 WPOJVBXEHJKUKV-JTQLQIEISA-N 303.318 2.347 0 40 DEAB O=C(O)CCCCCCC[C@H](O)[C@@H](O)CCCCCCO 4521131 MEHUJCGAYMDLEL-GJZGRUSLSA-N 304.427 2.466 0 40 DEAB biogenic,in-vitro CCCCCNC[C@H](O)COc1ccc(C(C)=O)cc1OC 6587386 ATVGAMZPLMVBAV-HNNXBMFYSA-N 309.406 2.417 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1c(F)cccc1F 71830112 BNFXQRVQLBYYND-QSNNZYTBSA-N 308.328 2.090 0 40 DEAB CCOC(=O)c1c(NC(C)=O)c2ccccc2n1CC(C)=O 6751649 CMIYYYPMJCSJKZ-UHFFFAOYSA-N 302.330 2.365 0 40 DEAB CCc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1 4936944 RQGWLSSGXZNPJY-UHFFFAOYSA-N 318.333 2.105 0 40 DEAB O=C1C[C@H](NC2CCSCC2)CN1CCOc1ccccc1 90088708 DJXOKVMRBHRQLX-HNNXBMFYSA-N 320.458 2.152 0 40 DEAB O=C(Oc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)n1 7401690 NYURWZXKARDNDS-UHFFFAOYSA-N 309.281 2.215 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)NC2CCCCCCC2)n1 16035296 WYZPXGCNHAZYJE-UHFFFAOYSA-N 309.435 2.400 0 40 DEAB CCO[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CN2CCC(C)CC2)C1 84800928 AXWPUSWNEJDLIY-BRWVUGGUSA-N 308.466 2.382 0 40 DEAB COC(=O)c1ccccc1NC(=O)c1ccc(-n2ccnc2)nc1 69489685 AGLPDCWXRKKMMP-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1C[C@H]1c1c(F)cccc1F 72286451 KXTKAQJBOFSQGP-IJLUTSLNSA-N 317.339 2.396 0 40 DEAB COCc1cccc(C(=O)N2CCCC[C@@H]2C2OCCO2)c1 69527592 WHRKUKJEWGOFMK-OAHLLOKOSA-N 305.374 2.201 0 40 DEAB CN(C)CC1CCC(NC(=O)NCC[C@@H]2CCCCO2)CC1 97055246 HPVGFMQEABGVIW-GPANFISMSA-N 311.470 2.365 0 40 DEAB Cc1cccc(-c2nc(CN3CCC[C@@H]3Cn3cncn3)no2)c1 69842299 JNOCPZVADRZHQR-OAHLLOKOSA-N 324.388 2.301 0 40 DEAB O=C1NCCN(C(=O)c2ccccn2)[C@H]1c1ccccc1Cl 97106888 BGSRIAJITJIATC-AWEZNQCLSA-N 315.760 2.048 0 40 DEAB Cc1cccc(NC(=O)N2CCN(c3cccc(O)c3)CC2)n1 97142667 KXFZHSHXHGPNGS-UHFFFAOYSA-N 312.373 2.450 0 40 DEAB CCc1c(C(=O)N[C@H]2CCc3nccn3C2)cnn1C(C)(C)C 97197875 VKEZJCZUSLQRGS-LBPRGKRZSA-N 315.421 2.142 0 40 DEAB CN(C)C1(CNC(=O)C/C=C/c2ccc(F)cc2)CCOCC1 72310196 JADOPDNPKAZHLC-ONEGZZNKSA-N 320.408 2.456 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H](C)c2cnn(C)c2C)c(C)s1 26829881 VVRRMQBFUZCVJF-SECBINFHSA-N 313.448 2.446 0 40 DEAB Cc1n[nH]c(C)c1CNC(=O)N1CCCC[C@H]1c1cn[nH]c1 97234290 KYIGUOHYOCISAQ-AWEZNQCLSA-N 302.382 2.186 0 40 DEAB Cc1cc(C)c(C(=O)NC[C@H]2OCCc3sccc32)c(=O)[nH]1 72501457 WCMQYDVZUZUHBF-GFCCVEGCSA-N 318.398 2.097 0 40 DEAB COc1cc(C(=O)NOCc2cccnc2)cc(OC)c1C 89534623 ATGYSOGIDNQXBA-UHFFFAOYSA-N 302.330 2.269 0 40 DEAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCc3nnc(N)cc3C2)c1 75129045 TUYFWMXNEIATCY-LSDHHAIUSA-N 308.385 2.056 0 40 DEAB COCCN(CCOC)C(=O)Nc1cnc(Cl)c(C)c1 75110167 IFATXCPZXMTCTI-UHFFFAOYSA-N 301.774 2.170 0 40 DEAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccco1 28284144 IBOQCYAJNHGYGP-VHSXEESVSA-N 308.359 2.016 0 40 DEAB O=C(CSc1nncn1-c1ccccc1)N1CCCCC1 60968247 SFCSAQYFPRPOEK-UHFFFAOYSA-N 302.403 2.372 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2cccc(F)c2)C1 35622914 VRYSCJWEGYNXBY-GJZGRUSLSA-N 323.412 2.425 0 40 DEAB Cn1nnnc1N1CCC(c2nc(C(F)(F)F)cs2)CC1 520728324 HVNZBKMGZXDROD-UHFFFAOYSA-N 318.328 2.069 0 40 DEAB CC(C)N(CCN)C[C@@H]1CCCN1C(=O)OCc1ccccc1 79391818 IPXOHQXRVMBXMK-KRWDZBQOSA-N 319.449 2.457 0 40 DEAB Cc1cs/c(=N\c2ccc(C(N)=O)cc2)n1[C@@H]1CCOC1 211243513 SXOKPJHBNCZSDW-WKSPDDFDSA-N 303.387 2.151 0 40 DEAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1C 72227857 FGLBDKGZUMLVGD-SJORKVTESA-N 310.353 2.447 0 40 DEAB CN1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)CCN2C1=O 77266791 FHERVXUVUGVBFS-ZDUSSCGKSA-N 313.323 2.257 0 40 DEAB biogenic,in-vitro CN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCC(=O)O 79413732 BBCAOOTWYZVDKY-GJZGRUSLSA-N 320.389 2.240 0 40 DEAB COc1ccc(CCNC(=O)c2csc(NC(C)=O)n2)cc1 32651847 ZLDYCJCVPOIPNT-UHFFFAOYSA-N 319.386 2.083 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCC[C@H](c2ccn[nH]2)C1 77340722 LXUGWARIOVOAEG-NSHDSACASA-N 300.362 2.296 0 40 DEAB NCCN(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 79391855 PUPAJMCYMFHFKD-QGZVFWFLSA-N 317.433 2.211 0 40 DEAB C[C@H](Sc1n[nH]c(Cc2ccccc2)n1)c1nccc(N)n1 562440142 UPUUEKIMQXHAKN-JTQLQIEISA-N 312.402 2.621 0 40 DEAB O=S(=O)(CCOCC1CC1)N[C@@H]1CCCc2ccccc21 567721410 YEFJTRGWHWGZJX-MRXNPFEDSA-N 309.431 2.410 0 40 DEAB CCC(F)(F)C(C)(C)CN[C@@H]1CCc2nc(COC)nn2C1 527677027 XRQJJCCPZFZVKF-LLVKDONJSA-N 316.396 2.400 0 40 DEAB CO[C@H](C)CNC(=O)NC1CCN(Cc2cccc(C)c2)CC1 225509022 KYUYWVUMHDTUOR-OAHLLOKOSA-N 319.449 2.294 0 40 DEAB COc1ccc(Cl)cc1NC(=O)NCCc1nccn1C 68555262 AICDMQKLEJBUJG-UHFFFAOYSA-N 308.769 2.446 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCc1ccco1)O2 40779283 RELFOXGWTIAHPP-QGZVFWFLSA-N 314.341 2.037 0 40 DEAB COc1ccccc1C(=O)NCc1ccnc(N2CCCC2)n1 224196984 IJTVTKMMLNNSOY-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB CO[C@@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC[C@@H](C)C1 225634118 JZLOYPJBHGVVCM-PXAZEXFGSA-N 320.389 2.085 0 40 DEAB COc1ccc(CNC(=O)N2CCN3CCCC[C@@H]3C2)c(C)c1 532592920 BLABRYGBZRZKLU-MRXNPFEDSA-N 317.433 2.383 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCn1nc(C)cc1C 69510223 NAMHRIXGRZWQIP-SJORKVTESA-N 318.465 2.365 0 40 DEAB O=S(=O)(c1ccoc1)N1CCC[C@]2(C1)OCc1ccccc12 574471505 TZOLLILATIOJJB-MRXNPFEDSA-N 319.382 2.490 0 40 DEAB Cc1nsc(NC(=O)c2ccc(C(=O)NC(C)C)cc2)n1 96489112 XHVQHJSXPKJBFP-UHFFFAOYSA-N 304.375 2.237 0 40 DEAB C[C@H](NC(=O)NCC1(N(C)C)CCOCC1)C1CCCCC1 96440597 UBTJSEDUDKBIFP-AWEZNQCLSA-N 311.470 2.365 0 40 DEAB C[C@@H](CNC(=O)NC[C@H]1CCOC1)Oc1cccc(Cl)c1 96439430 DJJWBMJUXGZTMH-NWDGAFQWSA-N 312.797 2.443 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)ccn1 96420817 ZFCMIXPJLYNOQZ-AWEZNQCLSA-N 318.421 2.406 0 40 DEAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nccn2C1 96187746 IDQWKHVAXWRZKZ-HNNXBMFYSA-N 301.390 2.170 0 40 DEAB CCCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2C)n[nH]1 95394914 KBMWXDQQUWJHFQ-UBHSHLNASA-N 318.421 2.338 0 40 DEAB Nc1cccc(CNS(=O)(=O)c2cc(F)c(F)cc2F)c1 97094626 VSJSKWRCPWLRJS-UHFFFAOYSA-N 316.304 2.165 0 40 DEAB Cc1nn(C(C)(C)C)c(=O)n1CC(=O)N[C@@H](C)c1cccs1 96495767 AOFODJNTTNXAFQ-JTQLQIEISA-N 322.434 2.047 0 40 DEAB Cc1noc(C)c1CNC(=O)N[C@@H](C)CCc1cccn1C 96439483 GQSJPERMCYUOIT-NSHDSACASA-N 304.394 2.450 0 40 DEAB CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(F)cc1 96420313 HNPUMAFZRXWYJO-INIZCTEOSA-N 310.369 2.068 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccccn4)C[C@H]3O2)n1 96058192 FTDDKGSEKPXXFW-NWANDNLSSA-N 300.362 2.125 0 40 DEAB COC(=O)C[C@@H]1CSCCN1Cc1nc2ccc(F)cc2o1 96475509 MHXKYCGNGJOQDG-LLVKDONJSA-N 324.377 2.447 0 40 DEAB c1cc(COC[C@]23COC[C@H]2CN(C2CCCC2)C3)ccn1 96108975 YSCSIIUVCCZWII-SJLPKXTDSA-N 302.418 2.489 0 40 DEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCn2nccc2C)C1 257222105 DRYSEJJVKUDQQX-HNNXBMFYSA-N 315.421 2.094 0 40 DEAB CC(=O)N1CCC[C@H]1c1nc(C)cc(N2C(=O)OCC2(C)C)n1 257332122 XVVUKUPCYVDEAE-LBPRGKRZSA-N 318.377 2.204 0 40 DEAB COc1ccc(C(N)=O)cc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 253370351 PRJBCGDKMSGXOO-NILFDRSVSA-N 302.374 2.164 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCNC[C@@H]1c1ccccc1 257304590 SMINOTYMMNGSCZ-QGZVFWFLSA-N 313.401 2.397 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 257333473 YBSHFIQPQSBHGA-NSHDSACASA-N 300.362 2.215 0 40 DEAB CN(C)c1cc([C@H]2CCCN(C(=O)Cc3ccccn3)C2)ccn1 257324591 WPJALBFNFALGHI-INIZCTEOSA-N 324.428 2.491 0 40 DEAB Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 257227711 FQODCJUAZTWSQG-GFCCVEGCSA-N 323.443 2.333 0 40 DEAB CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)Cc2cccn2C1 382702181 PEZRAUSUODVCHO-LBPRGKRZSA-N 308.378 2.418 0 40 DEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1Cc2cncnc2C1 96025513 AUWJRMNJDGUTPD-UHFFFAOYSA-N 315.398 2.060 0 40 DEAB O=C1NCCN1C(=O)N(Cc1ccsc1)Cc1ccco1 96120259 IBJUNGXIGQHYDL-UHFFFAOYSA-N 305.359 2.489 0 40 DEAB COc1ccc(C(=O)OCC(=O)c2ccccc2N)cc1OC 575150576 WISTWKQNAPMBOL-UHFFFAOYSA-N 315.325 2.326 0 40 DEAB c1cnc(OC[C@@H]2CCn3nccc3CN2CC2CCC2)cn1 585097247 JDIUHPIAFILUBP-INIZCTEOSA-N 313.405 2.127 0 40 DEAB CCc1cnc(OC2CCN(c3cc(CC)ncn3)CC2)nc1 1776001752 JQPOGEDAPWLQPX-UHFFFAOYSA-N 313.405 2.439 0 40 DEAB CN(C)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cn1 78556718 WVNXIPSEBDNYKP-UHFFFAOYSA-N 313.329 2.227 0 40 DEAB CC[C@H](C)N(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 78869163 NURFOBINBGFYBQ-JTQLQIEISA-N 319.373 2.482 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)Nc1ccccc1OC(C)C)C(N)=O 95942622 LEQYHDUTJVMPCP-SMDDNHRTSA-N 307.394 2.495 0 40 DEAB COc1cc(N2CCN(CCCc3ccccc3)CC2)ncn1 184081526 YZXYHOYHMDIIQJ-UHFFFAOYSA-N 312.417 2.240 0 40 DEAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCC[C@@H](O)[C@@H]1O 643550307 JTQFGRBPCMIHFV-LALPHHSUSA-N 323.776 2.433 0 40 DEAB CCN(CC)S(=O)(=O)N(C)Cc1nc2ccccc2s1 23402751 BVIILMQFBZJHMD-UHFFFAOYSA-N 313.448 2.315 0 40 DEAB Nc1ccc(Cl)cc1C(=O)OCC(=O)NCc1ccccc1 7031620 MRRCMHKLYOOUST-UHFFFAOYSA-N 318.760 2.395 0 40 DEAB Cc1cc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)ncn1 1775977459 ILYGMENIULJIHR-UHFFFAOYSA-N 322.372 2.162 0 40 DEAB C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12 96485337 SACFVUHOKVSSNX-SWLSCSKDSA-N 320.414 2.159 0 40 DEAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)c1 40086729 UVFWUXPQNHECHG-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB O=C(CNC(=O)c1ccoc1)Nc1nc2c(s1)CCCCC2 30692844 NFCNHZWHHCGENH-UHFFFAOYSA-N 319.386 2.374 0 40 DEAB CCCCn1nnnc1CN1CCO[C@H](c2ccc(F)cc2)C1 40497172 GLPKSWSBQFRVKT-HNNXBMFYSA-N 319.384 2.186 0 40 DEAB O=C(O)CC[C@H]1CCCCN1C(=O)CCOCC(F)(F)F 50921791 DLBDQRVWGOVCTA-SNVBAGLBSA-N 311.300 2.201 0 40 DEAB Cc1ccc(-c2nnc(CCC(=O)NC[C@H]3CCOC3)o2)cc1 41371821 WPYSAILLZAUCDW-CYBMUJFWSA-N 315.373 2.130 0 40 DEAB Cc1ccc([C@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)cc1 52828238 AEUVUIQUCQYDGP-LBPRGKRZSA-N 311.389 2.158 0 40 DEAB Cc1cc(NC[C@@H]2CCCOC2)n2nc(C(F)(F)F)nc2n1 54124714 AYTGNVUDTKPQIN-VIFPVBQESA-N 315.299 2.290 0 40 DEAB C[C@H](C1CC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 58438187 XLKYAXNZRCDJCK-CQSZACIVSA-N 317.433 2.192 0 40 DEAB COC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(C)C)C1 298771 JQYXIMFXTRECCY-HNNXBMFYSA-N 324.764 2.060 0 40 DEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1C 414525 OBUQNQHTIIPEML-UHFFFAOYSA-N 322.372 2.178 0 40 DEAB COC(=O)c1ccccc1NC(=O)c1cnn2c(C)cc(C)nc12 820981 UMQMZGINJRJXDB-UHFFFAOYSA-N 324.340 2.385 0 40 DEAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1n[nH]c(Cc2ccccc2)n1 100473441 BZEIZDFJPIUMNA-STQMWFEESA-N 310.357 2.075 0 40 DEAB Cc1cccc(CCSCCc2cccc(C)[n+]2[O-])[n+]1[O-] 1703216 JFXXDBWYADXFIB-UHFFFAOYSA-N 304.415 2.089 0 40 DEAB CCOC(=O)c1csc(CCNC(=O)c2ccccc2)n1 1726589 KPCFTYLQQPYXOM-UHFFFAOYSA-N 304.371 2.292 0 40 DEAB Cc1ccc(CN(C)C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)o1 40457418 PZRKJDHBUPYJHM-WFASDCNBSA-N 308.403 2.000 0 40 DEAB Cc1nc(N2CCCCC2)c(C(N)=O)c2c1COC(C)(C)C2 100744304 JYZQJBQJTCGQEC-UHFFFAOYSA-N 303.406 2.331 0 40 DEAB biogenic CCNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 6954094 LUMMZQPKBKHNSM-UHFFFAOYSA-N 318.398 2.261 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)Nc2ccon2)[C@@H]1c1cccs1 57355903 LVAWIXCAQJEEIN-NOZJJQNGSA-N 305.359 2.284 0 40 DEAB CN(C)C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 32781221 ZOZLGFNVPIUHFO-HNNXBMFYSA-N 312.369 2.448 0 40 DEAB CCOc1cc(CNc2nnnn2CC)cc(Cl)c1OC 8339893 FTAMUUKYPZEQEB-UHFFFAOYSA-N 311.773 2.366 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H]2CC=CCC2)cc1C(=O)O 45630223 HRVZUXWLHARMRU-LBPRGKRZSA-N 309.387 2.328 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C)c2C)o1 32913993 ZXXVLYXMSLYIAP-UHFFFAOYSA-N 308.359 2.057 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 32911727 FYHFMLDYSYJPPR-CQSZACIVSA-N 316.336 2.308 0 40 DEAB CC(=O)CSc1nnc([C@@H]2COc3ccccc3O2)n1C 21958467 SILFNCXLIMBONW-LBPRGKRZSA-N 305.359 2.009 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 530033 XKJOJRRIJOSSJC-UHFFFAOYSA-N 321.373 2.119 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)NC2CC2)n(CCO)n1 60372896 XOPFXXUSCQTWNA-UHFFFAOYSA-N 300.362 2.135 0 40 DEAB CCOc1ccc([C@H]2CCCN2C(=O)CCn2cncn2)cc1 41999321 GWNCGQZYSPIFLS-MRXNPFEDSA-N 314.389 2.431 0 40 DEAB CN1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 22461268 VTRGHYUYVMVOQU-UHFFFAOYSA-N 315.339 2.281 0 40 DEAB CNC(=O)NC(=O)CNc1cccc(OC2CCCC2)c1C 69843943 VXPZXEVYHFXWGK-UHFFFAOYSA-N 305.378 2.184 0 40 DEAB Cc1ccc(=O)n(Cc2cccc(C(=O)N3CCCCC3)c2)n1 67746528 DLTAVIDJJCPKOY-UHFFFAOYSA-N 311.385 2.226 0 40 DEAB O=C(NCc1ccccc1OC(F)(F)F)c1ccc(O)nn1 22700076 LHMBLSYXITWKDV-UHFFFAOYSA-N 313.235 2.011 0 40 DEAB NC(=O)[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 53945021 VMPHLHYYZCEEAR-HNNXBMFYSA-N 302.761 2.225 0 40 DEAB CCc1c(C(=O)N[C@H](C)COC)cnn1-c1ccc(F)cc1 24546483 XVPMVIAYRNTPEF-LLVKDONJSA-N 305.353 2.339 0 40 DEAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cccc2cn[nH]c12 55115532 LZBCCAAEIATJRL-CYBMUJFWSA-N 300.362 2.293 0 40 DEAB CCCC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C)c(O)c2)C1 89439115 ATMUPABWBUEKOA-OAHLLOKOSA-N 318.417 2.150 0 40 DEAB COc1ccc([C@@H](C)NC(=O)NCCn2ccnc2)cc1F 43312091 TZKORIDYNCULPZ-LLVKDONJSA-N 306.341 2.091 0 40 DEAB COc1ccc(C(=O)N[C@@H]([C@@H]2CC=CCC2)N2CCC2=O)cc1 1410233 CCAZADNNULGVDL-CXAGYDPISA-N 314.385 2.340 0 40 DEAB O=C(N[C@@]1(C(=O)O)CCSC1)[C@H]1CCCc2ccccc21 43510110 AIKXIHIRXNHVRB-BBRMVZONSA-N 305.399 2.183 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 7471533 AAUYYMCYCHLCCY-HNNXBMFYSA-N 300.402 2.402 0 40 DEAB CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O 35390808 GFWWHYLXALRUMC-JTQLQIEISA-N 323.773 2.257 0 40 DEAB CCN(c1ccc(C(=O)N(C)C2CCCC2)cc1)S(C)(=O)=O 22531639 GSPWKDXCFUGWPL-UHFFFAOYSA-N 324.446 2.487 0 40 DEAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12514438 CAMOURGHACJTSA-XQQFMLRXSA-N 319.405 2.081 0 40 DEAB C[C@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NCc1ccco1 58014144 QFECHNXUVMXBIF-VIFPVBQESA-N 322.748 2.377 0 40 DEAB CCCCN(CCO)C(=O)NCc1ccc(OC)cc1OC 58161042 OMZPREMYPYJXJZ-UHFFFAOYSA-N 310.394 2.008 0 40 DEAB C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(N(C)C)nc1 44918730 MYQGXDLVVGQBIC-CQSZACIVSA-N 313.401 2.369 0 40 DEAB COc1cc(C)c([C@H](C)N2C[C@@H](C(=O)O)CC2=O)cc1OC 44979097 SBWLVKNHWXJDJX-QWRGUYRKSA-N 307.346 2.006 0 40 DEAB COc1cc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)ccc1O 62001505 AIOSPJIQOLXBIF-FUHWJXTLSA-N 310.353 2.325 0 40 DEAB biogenic CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(N)s2)c1 3347729 SRSPZEDDGVPDCX-MRVPVSSYSA-N 322.415 2.442 0 40 DEAB Cc1nc(C)c(CCC(=O)NCc2ccc(C)c(F)c2)c(=O)[nH]1 12765858 UBQRQKLFWBFWQX-UHFFFAOYSA-N 317.364 2.083 0 40 DEAB COc1ccccc1[C@H](NC(=O)CCSC)c1nccn1C 48364985 AQEWGNFVOQDLER-HNNXBMFYSA-N 319.430 2.387 0 40 DEAB COc1cccc(CN2CCN([C@@H](C)c3nc(C)no3)CC2)c1 69348109 JFWPCNOGPMMSAU-ZDUSSCGKSA-N 316.405 2.265 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCCc1ccccc1F)C(=O)OC 6168486 GNJPYUPBHNLUFK-FZMZJTMJSA-N 310.369 2.255 0 40 DEAB Cc1csc(CNC(=O)NCCC(=O)N2CCCCCC2)n1 65517215 XPLBZBYYFVGZDI-UHFFFAOYSA-N 324.450 2.043 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCCCC1 69486956 MRVGUTGGALSJNW-LLVKDONJSA-N 300.424 2.309 0 40 DEAB FC(F)(F)c1ccnc(N2CCC[C@@H](Cn3cncn3)C2)n1 69629932 NNKBWTAUGNLBKC-SNVBAGLBSA-N 312.299 2.004 0 40 DEAB Cc1ccc(C(=O)NCCc2nc3ccc(F)cc3n2C)n1C 71896402 BKDVLCBRIQFOOM-UHFFFAOYSA-N 314.364 2.332 0 40 DEAB CN(C(=O)c1ccc(Br)cc1F)[C@@H]1CCNC1 71310046 GCFRLNCAHFJEEG-SECBINFHSA-N 301.159 2.022 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCC[C@H]1CCCCO1 96002175 VVDYYXVRUOYLHD-IUODEOHRSA-N 322.453 2.226 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC[C@@H]1CCCCO1 96002174 VVDYYXVRUOYLHD-WFASDCNBSA-N 322.453 2.226 0 40 DEAB COC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9364013 GVOLRNUXZOYTJB-UHFFFAOYSA-N 317.297 2.170 0 40 DEAB O=C(NC[C@@H](O)c1ccco1)Nc1cnn(-c2ccccc2)c1 76021567 XDHGGFROCXKSBR-CQSZACIVSA-N 312.329 2.320 0 40 DEAB Cn1ncnc1COc1ccccc1C(=O)NCc1ccccc1 76065249 QECBHQPUERVJLH-UHFFFAOYSA-N 322.368 2.324 0 40 DEAB COc1ccc(CC(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1 76086882 DQDCJRIDMIUBGV-QGZVFWFLSA-N 303.358 2.163 0 40 DEAB Cc1[nH]ncc1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 72232371 MYWJPHPNYYBSCG-NSHDSACASA-N 303.366 2.244 0 40 DEAB Cc1cnn(C2(C(=O)O)CCN(C(=O)OC(C)(C)C)CC2)c1 72233700 RPJMPQWCCCAKTM-UHFFFAOYSA-N 309.366 2.002 0 40 DEAB O=C(NCc1nc(-c2ccncc2)cs1)c1ncccc1O 97165484 XQDITGLUNVABJB-UHFFFAOYSA-N 312.354 2.236 0 40 DEAB Cn1cc(CN(CC(N)=O)C2CCCC2)c(-c2ccccc2)n1 97230865 ISSOVGRAGRKFBA-UHFFFAOYSA-N 312.417 2.317 0 40 DEAB Clc1cn[nH]c1-c1nn2c(-c3ccccn3)nnc2s1 72406172 FCMNJOSMTZZFGF-UHFFFAOYSA-N 303.738 2.291 0 40 DEAB O=C1C[C@H](NS(=O)(=O)c2ccc(Cl)nc2)c2ccccc21 95467476 IKIJAEXXDWPOAD-LBPRGKRZSA-N 322.773 2.341 0 40 DEAB O=C(c1ccon1)N1CCN(c2ccc(F)cc2Cl)CC1 95441574 YICZILFIUHMDSS-UHFFFAOYSA-N 309.728 2.430 0 40 DEAB CN(C)CC(=O)Nc1cccc(CNc2cncc(Cl)n2)c1 79016754 QQHSEHAHZVJBIX-UHFFFAOYSA-N 319.796 2.242 0 40 DEAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)N(C)C[C@H]1CCCO1 95940551 WEWAHYGGUOGMKL-UKRRQHHQSA-N 310.438 2.099 0 40 DEAB COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1cc(C(C)C)nn1C 95983617 NAEZRUOFNSHFQW-SJCJKPOMSA-N 321.421 2.395 0 40 DEAB CC(=O)N1CCN(C(=O)CNc2c(C)cccc2C(C)C)CC1 95964631 KELREFKSXXNVLL-UHFFFAOYSA-N 317.433 2.221 0 40 DEAB Cc1cscc1C(=O)N1CCC(c2ccnn2CCO)CC1 95986004 XKOZABWAAIADCY-UHFFFAOYSA-N 319.430 2.265 0 40 DEAB CCCN1CCC(NC(=O)NCC2(O)CCCCCC2)CC1 74710081 AKIGSUGOEFNZDI-UHFFFAOYSA-N 311.470 2.245 0 40 DEAB COc1cccc([C@H]2CCCN2CC(=O)NC[C@@H]2CCCO2)c1 9903109 ZGKUSDKLEDMLLR-DLBZAZTESA-N 318.417 2.127 0 40 DEAB COCCCN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 409232836 BUIXCQKRCRWVFM-FMIVXFBMSA-N 321.354 2.458 0 40 DEAB O=C(NCCc1cccnc1)Nc1cccnc1N1CCCC1 40540881 MOJHOHHUIALCPD-UHFFFAOYSA-N 311.389 2.441 0 40 DEAB CC(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1 40541279 BEFMUYSZLPYOBU-UHFFFAOYSA-N 300.314 2.025 0 40 DEAB Cc1nc(C(=O)NC2CCCC2)cc(C2CCN(C)CC2)n1 72382784 PCOMSDZFZCOGSF-UHFFFAOYSA-N 302.422 2.267 0 40 DEAB Cc1nn(C)c(N)c1[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 72404609 PIYARBGMWPBCPP-LLVKDONJSA-N 318.764 2.011 0 40 DEAB CCCN(C(=O)CSCC(N)=O)[C@@H]1CCc2ccccc2C1 79308784 JDZACVQFSYXPPY-OAHLLOKOSA-N 320.458 2.001 0 40 DEAB O=C1N=C(N2CCOCC2)N/C1=C\c1csc2ccccc12 77024343 SEIIGHPXMJNTQK-LCYFTJDESA-N 313.382 2.060 0 40 DEAB Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1C 72257703 GDHRJPGMGCFYBH-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB CCOc1cc(N2CCC([C@H](O)C(F)(F)F)CC2)ncn1 195567137 QNLLIDMAHLCNPY-LBPRGKRZSA-N 305.300 2.015 0 40 DEAB COc1cn(C)c(C(=O)Nc2nc(C(C)(C)C)cs2)cc1=O 49547171 RPSNZIKJDHEQRH-UHFFFAOYSA-N 321.402 2.400 0 40 DEAB C[C@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 195571633 PQJFCZLNFCAKRI-BFHYXJOUSA-N 302.422 2.367 0 40 DEAB O=S1(=O)CCC(CN[C@@H]2CCCNc3ccccc32)CC1 193052068 BUONHOMYMXOCCC-MRXNPFEDSA-N 308.447 2.348 0 40 DEAB CCN(C(=O)CCNC(=O)[C@H]1CCCO1)c1cc(C)ccc1C 195576830 ULTZRQDYBAHYOX-MRXNPFEDSA-N 318.417 2.342 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCCCN1CCCCC1 225594250 HLQDPUHMOPTUOV-UHFFFAOYSA-N 314.426 2.288 0 40 DEAB O=C(c1ccco1)N1CCC[C@@H]1CS(=O)(=O)c1ccccc1 96098295 YRSDSSKLQMYBBQ-CYBMUJFWSA-N 319.382 2.358 0 40 DEAB CCS(=O)(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 96406698 INVJQGYYPQOZRB-LLVKDONJSA-N 322.352 2.223 0 40 DEAB Cc1nc(CNC(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)no1 96440168 AITWPFWSNQZANW-KGLIPLIRSA-N 316.361 2.177 0 40 DEAB O=C1NCCN(C(=O)C2=COCCC2)[C@@H]1c1ccccc1Cl 97372125 LNNIGSOXDXMXMN-CQSZACIVSA-N 320.776 2.034 0 40 DEAB CC(C)CC[C@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(C)n1 96413497 NZLQPXSGVCGZNJ-OLZOCXBDSA-N 306.410 2.080 0 40 DEAB Cc1cc(C)c(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)o1 96472983 BBONRUKMSOPRFU-STQMWFEESA-N 313.419 2.324 0 40 DEAB CCOC(=O)[C@]12CCCN(CC3CC3)C[C@H]1CN(C(C)C)C2 96055919 WOUMJWAEUKKBLZ-WMZOPIPTSA-N 308.466 2.382 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)[C@H](C)CCOc2ccccc2)CC[S@]1=O 248158828 JWNNNONSXUIANM-HFUXXMRGSA-N 323.458 2.460 0 40 DEAB COc1cccc(OC)c1CN1CCC2(CC1)OCCC[C@H]2O 257318334 VNLLIDFKPVWKQB-QGZVFWFLSA-N 321.417 2.210 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@@H]1c1cnccn1 257247226 IYBDXEGOPFZFHT-OAHLLOKOSA-N 301.321 2.358 0 40 DEAB COc1cccc([C@H]2Cn3ccnc3CN2C(=O)c2cnco2)c1 257339338 ZBHDTAGSFCDVMV-CQSZACIVSA-N 324.340 2.277 0 40 DEAB CN(CC1(O)CCC1)S(=O)(=O)c1ccc(C(F)(F)F)cc1 390833459 HWBYWBMNYAEIQW-UHFFFAOYSA-N 323.336 2.241 0 40 DEAB CCCCC(=O)N1CC2(CC[C@H](CN3CCCCC3=O)CO2)C1 575405164 QLAZSRCLNCVMDL-OAHLLOKOSA-N 322.449 2.197 0 40 DEAB Cc1cc(CNC(=O)c2csc(N3CCCCC3)n2)no1 585141025 OHHUCCPKGCAROP-UHFFFAOYSA-N 306.391 2.360 0 40 DEAB Cc1noc(C2CCN(C(=O)COc3ccccc3)CC2)n1 48374362 ZBTKXELLGKXQER-UHFFFAOYSA-N 301.346 2.163 0 40 DEAB Cc1n[nH]c2ncc(CNC[C@@H](O)c3ccc(F)cc3)cc12 48354000 PKPBQJHUMDUWNZ-OAHLLOKOSA-N 300.337 2.229 0 40 DEAB Cn1ccnc(N2CCC(c3ccc4cccnc4n3)CC2)c1=O 656215419 WVHUSRAPWHWVKU-UHFFFAOYSA-N 321.384 2.108 0 40 DEAB COCCOc1cc(C(=O)N(C)Cc2ccccc2)ccn1 182237830 QKNYIEFBNRMPRF-UHFFFAOYSA-N 300.358 2.379 0 40 DEAB Cc1cc(C[n+]2cccc(N)c2)c(C)cc1C[n+]1cccc(N)c1 5534882 RESNUHSOTUSFIS-UHFFFAOYSA-N 320.440 2.139 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccccn2)cc1C 19571443 HCFSREMPUKUKIY-ZDUSSCGKSA-N 320.414 2.308 0 40 DEAB CC1(C)CN(c2ccnc(Cc3ccccc3)n2)CC[S@@]1=O 167084968 FQMYVZXWLYFFPI-JOCHJYFZSA-N 315.442 2.415 0 40 DEAB CC[C@@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O 157051328 QDKZHNDRARYQQW-MRVPVSSYSA-N 315.142 2.069 0 40 DEAB Cc1csc(=O)n1CC(=O)Nc1nc2ccccc2s1 8061986 UVZGTOSMKVXKCH-UHFFFAOYSA-N 305.384 2.467 0 40 DEAB CCNC(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1 1888849814 QJQAQTRRMISQOS-LBPRGKRZSA-N 306.410 2.204 0 40 DEAB Cn1cccc1C(=O)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 238921047 TWROWSBNLXXHLW-GJZGRUSLSA-N 322.368 2.432 0 40 DEAB Cc1c(Cl)cccc1C(=O)N1C[C@@H]2CN(C)CCO[C@@H]2C1 1614939144 SVDSKJVBSAMKOD-SWLSCSKDSA-N 308.809 2.051 0 40 DEAB CCO[C@@H]1COC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 1565545605 JBWROMPHSKNIFR-ZDUSSCGKSA-N 320.389 2.352 0 40 DEAB O=C(Nc1nnc(-c2ccco2)o1)[C@@H]1COc2ccccc2O1 4107319 PKYYRCPXURNYTG-LBPRGKRZSA-N 313.269 2.108 0 40 DEAB Cc1nccc(O[C@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1 585147116 JQGPGHGQCBRAIN-INIZCTEOSA-N 322.368 2.331 0 40 DEAB CS(=O)(=O)CCCN(Cc1ccc(O)cc1)Cc1ccco1 96414860 JJVRXQPDYXBTBP-UHFFFAOYSA-N 323.414 2.422 0 40 DEAB C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 40074615 OEBCOCHUMGMOKO-DTWKUNHWSA-N 321.851 2.404 0 40 DEAB COC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(C)C)C1 298773 JQYXIMFXTRECCY-OAHLLOKOSA-N 324.764 2.060 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H](C)N1CCCN(CC)CC1 106801855 HJDAZADJPYKNMR-OAHLLOKOSA-N 319.449 2.440 0 40 DEAB O=S(=O)(N[C@@H]1C[C@H]2CC[C@H]1O2)c1c(F)cccc1Cl 108397661 PUPWIHNXEWISAN-AVPPRXQKSA-N 305.758 2.077 0 40 DEAB Cc1cc(C)n2c(CN3CCN(C)C[C@H]3C(C)C)cnc2n1 108472720 OTEAYWXFVYLSRG-INIZCTEOSA-N 301.438 2.118 0 40 DEAB COC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 3377580 JQHDCAFLVDZRGZ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB O[C@H]1C[C@@H]2CN(Cc3ccc([C@@H]4CCCCO4)o3)C[C@@H]2C[C@@H]1O 72135380 CLWLRIXVYFYJHB-KUHBDSFDSA-N 321.417 2.085 0 40 DEAB c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 107226380 YZURFVWBQNALLG-CJNGLKHVSA-N 316.430 2.384 0 40 DEAB COc1cccc(-n2nnc(C(=O)N3CCC[C@H](C)C3)c2C)c1 44918090 IXACBUKLNGXLCN-LBPRGKRZSA-N 314.389 2.456 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)NCc1cc2ccccc2[nH]1 58381907 WMQJYFPXDUGJEP-LBPRGKRZSA-N 307.419 2.377 0 40 DEAB CCN1CCC(N(C)S(=O)(=O)c2ccc(F)cc2C)CC1 27970939 FWLNFXBIIYJERP-UHFFFAOYSA-N 314.426 2.239 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@H]1Cc2ccccc2S1 11332604 DTPAPYGJDHBJIO-OAHLLOKOSA-N 323.381 2.318 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 102305736 YNTFPZKHCJCOIL-WGIXJMRHSA-N 317.385 2.359 0 40 DEAB CC(C)CNC(=O)C(=O)NCCOc1ccc2ccccc2c1 59417445 KTZFKEZXYPSDFA-UHFFFAOYSA-N 314.385 2.107 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CCc2ccc(O)cc2C1 46876000 QTBJIYOBJGNOJW-KRWDZBQOSA-N 324.380 2.464 0 40 DEAB Nc1c(Cl)cc(NC(=O)CN2CSCC2=O)cc1Cl 48392036 OPQZZSKCVFCECC-UHFFFAOYSA-N 320.201 2.047 0 40 DEAB CCO[C@@]1(c2ccccc2)NC(=O)c2cc3c(cc21)OCCO3 12858365 VJWBGYBOXCUCSS-GOSISDBHSA-N 311.337 2.439 0 40 DEAB CCCNC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 113968138 MGCYHEPXYHYCNR-UHFFFAOYSA-N 312.435 2.067 0 40 DEAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)C1=COCCO1 3463698 CBSZUQQHVBRORK-UHFFFAOYSA-N 319.357 2.488 0 40 DEAB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccc(F)c(F)c1 38783950 JBEVRJPJWSTAEM-UHFFFAOYSA-N 313.267 2.015 0 40 DEAB COc1ccccc1-n1nnnc1SCCc1ccncc1 9114604 FCRKATSNLZQWEQ-UHFFFAOYSA-N 313.386 2.401 0 40 DEAB C[C@H](Cc1ccccc1)CN(CCC(F)(F)F)C[C@H](O)CO 96013607 UOYSTQSORXVRJQ-HIFRSBDPSA-N 319.367 2.473 0 40 DEAB CN1CCO[C@H](CNCc2ccc(OCC(F)(F)F)cc2)C1 65624309 NWYPDJWEHLLIQA-CQSZACIVSA-N 318.339 2.048 0 40 DEAB CC1CCC(NC(=O)C[C@H](NC(N)=O)c2ccccc2)CC1 14348012 YTXKXRUOYKMCEU-ZALBZXLWSA-N 303.406 2.481 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4649510 IKNCXZBZOSOGKT-BFHYXJOUSA-N 322.430 2.360 0 40 DEAB NS(=O)(=O)c1ccc(N2C[C@H]3CC[C@H]2C3)cc1C(F)(F)F 110652784 LHLBSMHZCMJAAH-IUCAKERBSA-N 320.336 2.342 0 40 DEAB CC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1 6647964 HPYXPGINKKIAAL-UHFFFAOYSA-N 309.329 2.196 0 40 DEAB C[C@H](COc1ccc(F)c(F)c1)NC[C@@H](O)C1CCOCC1 90053820 MACRLGPDAAPLCW-BDJLRTHQSA-N 315.360 2.109 0 40 DEAB CCOC(=O)c1sc(NC(=O)c2ccc(OC)nc2)nc1C 9497466 SLCLENNQMSMPJB-UHFFFAOYSA-N 321.358 2.284 0 40 DEAB O=C(CN1CCSC1=O)Nc1nnc(-c2ccccc2)s1 15612693 UNWSAZJBNWVVGM-UHFFFAOYSA-N 320.399 2.312 0 40 DEAB C[C@H](CNC(=O)NCCCNC(=O)C1CCC1)c1ccsc1 96452384 HEWHTDGHHJJWLK-GFCCVEGCSA-N 323.462 2.457 0 40 DEAB COCCn1nc(C)c(CNc2nc(C3CC3)ns2)c1C 80786508 KHHRCSQAMIZUNO-UHFFFAOYSA-N 307.423 2.487 0 40 DEAB COc1ccc(CCNC(=O)[C@H](C)OC(=O)c2ccoc2)cc1 16159020 DVLOPUDUMULFMV-LBPRGKRZSA-N 317.341 2.192 0 40 DEAB Cc1nc(CC(=O)N2CCC[C@@H](n3ccnc3C)C2)cs1 71870545 LIWFCNPRVLVLKF-CQSZACIVSA-N 304.419 2.363 0 40 DEAB Cn1c(CN[C@@H]2CCCN(c3cccnn3)C2)nc2ccccc21 71859720 RFWKQKCROLRNDG-CQSZACIVSA-N 322.416 2.122 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)c1n[nH]c(=O)c2ccccc12 8216757 IQFFXUCAIZOUNH-NSHDSACASA-N 323.352 2.423 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1 71835169 ZSVAZYPOXRALCI-HOTGVXAUSA-N 311.385 2.123 0 40 DEAB Cc1ccccc1C(C)(C)CNC(=O)N[C@H](C)c1nncn1C 69325792 MEXVWKPCCXVINO-CYBMUJFWSA-N 315.421 2.462 0 40 DEAB C[C@@H](NC(=O)C(=O)Nc1cc(F)c(F)cc1F)c1cccnc1 69559670 SPAAITIQHOKECY-MRVPVSSYSA-N 323.274 2.315 0 40 DEAB NC(=O)[C@H]1CCCN1Cc1ccc(OCc2ccccn2)cc1 69770735 SFEYDMPPDVLSRY-QGZVFWFLSA-N 311.385 2.110 0 40 DEAB COc1cc(N2CCN(Cc3cccc(Cl)c3)CC2)ncn1 122713488 SVQTXYSVHILGRU-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1cc(F)c(F)cc1F 69740790 XWPPGJNWBXJJMQ-SECBINFHSA-N 323.336 2.151 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)Cn1ccc3ccccc31)C2 69842905 NIJIEYGEEAKTNW-UHFFFAOYSA-N 323.400 2.399 0 40 DEAB CC(C)(CNC(=O)N[C@@H](c1ccccc1)C1CCC1)C(N)=O 72274229 HUYJVJQJXQPCKB-AWEZNQCLSA-N 303.406 2.339 0 40 DEAB O=C(Nc1cnn(-c2ccccc2)c1)NC1CCC(O)CC1 72294531 RDLUCULTXQCBIQ-UHFFFAOYSA-N 300.362 2.297 0 40 DEAB C[C@@H](NCc1nc(-c2ccco2)no1)c1nnc2ccccn12 97374280 BJZZEXPBRIRSOH-SNVBAGLBSA-N 310.317 2.223 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1cscn1 88269107 ZSIBEDLIIHRUSN-CHWSQXEVSA-N 310.419 2.314 0 40 DEAB O=C(CS(=O)(=O)C1CCCC1)N1CCC[C@H]1c1ccncc1 97406475 MRVRRPYTIUHBFW-HNNXBMFYSA-N 322.430 2.103 0 40 DEAB O=C(CN1CCCOC1=O)N1CCc2c(Cl)cccc2C1 84606077 DSMSRYVRJBSMIA-UHFFFAOYSA-N 308.765 2.067 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1NC2(CCCC2)C(=O)N1CC1CC1 95408360 LPVWNWUIRSOGOM-OAHLLOKOSA-N 302.422 2.190 0 40 DEAB Cc1nc2ncnn2c(Sc2nc(-c3ccncc3)n[nH]2)c1C 95408820 DICDHMFZKLFHQF-UHFFFAOYSA-N 324.373 2.072 0 40 DEAB CN(Cc1nnc(C2CC2)o1)[C@H]1CCN(Cc2cccnc2)C1 89364925 ZJSAMSQOKGWROM-HNNXBMFYSA-N 313.405 2.048 0 40 DEAB COCCC(=O)N1CCC(NCc2ccc(F)c(F)c2)CC1 89409999 BLASOXREVRQBDI-UHFFFAOYSA-N 312.360 2.082 0 40 DEAB Cc1sc(-c2ccco2)nc1C(=O)N(C)CC(=O)NC1CC1 89556198 CPLZPXRCMAVDEO-UHFFFAOYSA-N 319.386 2.062 0 40 DEAB CC[C@H](C)CS(=O)(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 89942241 WFYFCMMTFUMPPL-WFASDCNBSA-N 316.442 2.394 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)NC[C@@H](C)c2ccsc2)C1 89900794 ZTJBEBWBQAOMSO-IAQYHMDHSA-N 310.419 2.446 0 40 DEAB CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccnn1C 89984886 OIUWRJGWWPIBDX-UHFFFAOYSA-N 313.357 2.190 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)CCS(C)(=O)=O)C12CCCCC2 76040439 XRHKXCBTDLPLIB-ZIAGYGMSSA-N 303.468 2.091 0 40 DEAB Cc1n[nH]cc1CNc1nc(-c2cccnc2)nc2c1CCC2 545891342 FMAWJRYCCZCMEI-UHFFFAOYSA-N 306.373 2.671 0 40 DEAB O[C@H]1c2ccccc2C[C@@H]1N1CCc2nc(C3CC3)ncc2C1 528737732 CHMPVQJIWAWIKC-ROUUACIJSA-N 307.397 2.370 0 40 DEAB Cc1cc(S(=O)(=O)NCCCn2ccnc2)c(C)c(C)c1C 35170686 CJKHMRFVFLHGHN-UHFFFAOYSA-N 321.446 2.485 0 40 DEAB Cc1nn(C)c(C)c1CN(C)C(=O)CC[C@H](C)N1CCCC1 72390319 BMAXYLKJRKOIRQ-ZDUSSCGKSA-N 306.454 2.260 0 40 DEAB CC(=O)N1CCC(c2ccc(C(=O)N3CCCCC3)cn2)CC1 72368092 IRABQVMJESCYEG-UHFFFAOYSA-N 315.417 2.434 0 40 DEAB CN1CCN(C(=O)CC[C@@H]2CCCO2)[C@H](c2ccccc2)C1 36734530 LSRDZBOSBVLHLN-IRXDYDNUSA-N 302.418 2.461 0 40 DEAB Nn1c(SCc2ccccc2F)nnc1C1CCOCC1 79038561 CFPYLQJKCVUEFX-UHFFFAOYSA-N 308.382 2.317 0 40 DEAB O=C1N[C@@](c2ccc(F)cc2)(C(F)(F)F)Sc2ncnn21 72238828 BXPWBBDWJBDTCR-SNVBAGLBSA-N 318.255 2.496 0 40 DEAB C[C@H]1CN(C(=O)CN(C2CC2)[C@@H]2CCc3ccccc32)CCO1 68333621 QXCKHWCRNXYOPQ-KBXCAEBGSA-N 314.429 2.386 0 40 DEAB Cc1cc([C@@H]2CCCN2Cc2nnnn2Cc2ccccc2)on1 48299750 GYZZADTVDCJJSP-HNNXBMFYSA-N 324.388 2.355 0 40 DEAB CC(=O)NC1CCC(NCCOc2ccc(F)cc2F)CC1 133150404 KEPVUKWCPZUKSJ-UHFFFAOYSA-N 312.360 2.381 0 40 DEAB CC(C)n1c([C@@H]2CCCN(CC(N)=O)C2)nc2ccccc21 69662169 MEYKMHYSHLRPEN-CYBMUJFWSA-N 300.406 2.282 0 40 DEAB Cc1ccccc1NC(=O)[C@@H](C)SCCS(C)(=O)=O 69670144 ANAHNMYZYCRIJY-LLVKDONJSA-N 301.433 2.100 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCCC2)nc1 224247520 XQUUAHUYLOKIOG-CYBMUJFWSA-N 312.373 2.483 0 40 DEAB Cc1noc(CNC(=O)Cc2nc(-c3ccsc3)oc2C)n1 69532724 OEGRJERVGJBILT-UHFFFAOYSA-N 318.358 2.262 0 40 DEAB C[C@H]1SCCN(C(=O)NCCc2cn3c(n2)CCCC3)[C@@H]1C 96411413 KBDYYFOEBIUIGN-CHWSQXEVSA-N 322.478 2.297 0 40 DEAB O=C(NCC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccccc3)C[C@H]2O1 96066068 IRTWMMXXPWDVEM-RCCFBDPRSA-N 314.429 2.192 0 40 DEAB O=C(Cc1ccco1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96209474 NVLRULMSSSDRQR-WMZOPIPTSA-N 319.401 2.399 0 40 DEAB C[C@]1(C(=O)NCc2cccnc2)CC(c2cccc(F)c2)=NO1 96192994 HKIQCGSGTBQKRA-QGZVFWFLSA-N 313.332 2.420 0 40 DEAB CC(C)N1CCC[C@H](SCc2cccc(C(N)=O)c2)C1=O 96451107 YCVDBYQQUDMPTP-AWEZNQCLSA-N 306.431 2.418 0 40 DEAB O=C([C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1)N1CCCC1 97953802 FHKDWHABYHMNPB-ARFHVFGLSA-N 320.458 2.350 0 40 DEAB O=C(c1cccs1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053630 AWOVYNXYZOSNMR-JSGCOSHPSA-N 312.394 2.483 0 40 DEAB Cc1cccn2cc(CC(=O)N3CC[C@@H](O)CC34CCC4)nc12 578755953 NQHPZSSHNDCPTB-OAHLLOKOSA-N 313.401 2.091 0 40 DEAB CN(C)c1ncc(NC(=O)c2ccc(F)cc2)c(N(C)C)n1 96098752 XECRZUSZONMLEL-UHFFFAOYSA-N 303.341 2.000 0 40 DEAB Cc1cccc(NCC(=O)N(C2CCCC2)C2CC2)c1C(N)=O 96427437 MULRHPCUCAJCIJ-UHFFFAOYSA-N 315.417 2.439 0 40 DEAB Cc1nn(C)c(C)c1OC(=O)Cc1ccc(-n2cccn2)cc1 96424007 XHQMTRLRBNLRBG-UHFFFAOYSA-N 310.357 2.371 0 40 DEAB Cc1nc(N2CCCC2)nc2c1CN(C(=O)c1ccco1)CC2 96253827 LFOKCCVHTBSQIR-UHFFFAOYSA-N 312.373 2.177 0 40 DEAB CCc1nc(CN2CCN(Cc3ccc(CO)o3)CC2)cs1 92504889 GXNKBALADLAVRO-UHFFFAOYSA-N 321.446 2.109 0 40 DEAB c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCOCC2)co1 96057944 IUNMSLSLKAFEQI-RCCFBDPRSA-N 321.417 2.455 0 40 DEAB O=CN1CCC(OC(=O)c2cc(F)c(Cl)cc2F)CC1 97234667 XFCBQEGEVKLZBD-UHFFFAOYSA-N 303.692 2.396 0 40 DEAB CC(C)c1nc2cc(NC(=O)N[C@@H]3CC(=O)N(C)C3)ccc2o1 96410699 KUFYDABQBONRKJ-LLVKDONJSA-N 316.361 2.303 0 40 DEAB COc1ccc([C@H](O)CCC2OCCCO2)c(OC)c1OC 95728591 ABPOQYNIRRJOGX-GFCCVEGCSA-N 312.362 2.289 0 40 DEAB CCN1CCOC[C@]2(CCCN(C(=O)Cc3cccs3)C2)C1 96228874 LGNAMSQRGZNHGI-QGZVFWFLSA-N 322.474 2.252 0 40 DEAB CN(c1nc2ccccc2o1)[C@@H]1CCN(CC(F)(F)F)C1=O 69972067 IRDXEHFJBKPHRP-SNVBAGLBSA-N 313.279 2.427 0 40 DEAB CCC(=O)N1CCO[C@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 257230751 GDSMROLQIYZWAP-INIZCTEOSA-N 314.389 2.100 0 40 DEAB COCCN1CCC[C@H](Cc2cnc(-c3cc(C)n[nH]3)cn2)C1 257252224 JTZKTURDAXAJGU-CQSZACIVSA-N 315.421 2.076 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1 27529310 SMBZUEGQNDNVDM-UHFFFAOYSA-N 300.383 2.446 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257280453 OKXNZSVNJRJBPK-NSHDSACASA-N 301.394 2.368 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2ccncn2)C1 257321939 WDYNDBHWWBZXNX-CQSZACIVSA-N 314.389 2.420 0 40 DEAB CC[C@]1(C)C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)O)CC1 263176540 LFECZIBKFNYBSS-XJIUQZFPSA-N 309.406 2.151 0 40 DEAB CC[C@@H]1CN(c2ccnc(C(F)(F)F)c2)CCN1C[C@@H](C)O 283703305 CURNJPVOWCJEAW-VXGBXAGGSA-N 317.355 2.382 0 40 DEAB c1cncc(OC[C@H]2CCOC23CN(Cc2ccoc2)C3)c1 585102637 DGNLXYAQFAUJAU-OAHLLOKOSA-N 300.358 2.345 0 40 DEAB OC[C@H]1CCn2cncc2CN1Cc1ccc(Cl)c(F)c1 585098624 ZSUITLAEGSIUTH-GFCCVEGCSA-N 309.772 2.442 0 40 DEAB O=C(C1CCOCC1)N1CC[C@@H](O)[C@H](Cc2ccccc2F)C1 585276298 HWKVAPLQUVXBPU-NVXWUHKLSA-N 321.392 2.004 0 40 DEAB Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3cnn(C)c3)CC2)c1 71830441 VHIUQTCGVCRTCM-QZTJIDSGSA-N 324.428 2.181 0 40 DEAB CC(=O)CC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 952977465 ARFFMJIIOAYJGV-SNVBAGLBSA-N 305.321 2.427 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)c1 76018599 UWCKLNLAMPKURX-GDBMZVCRSA-N 317.433 2.154 0 40 DEAB COCc1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1 48226225 AEJGYBWHPVTUMZ-UHFFFAOYSA-N 311.345 2.140 0 40 DEAB CN(CC1CCCC1)C(=O)c1cccc(NS(C)(=O)=O)c1 60211798 HQCSEGXPNVMMHS-UHFFFAOYSA-N 310.419 2.320 0 40 DEAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(c2cc[nH]n2)CC1 58208883 JWSSMWSQDVOKRV-AWEZNQCLSA-N 317.393 2.303 0 40 DEAB COc1cc(CNCc2c(C(C)C)nn(C)c2N(C)C)ccn1 58393355 AQRPOCXNAZXRCP-UHFFFAOYSA-N 317.437 2.303 0 40 DEAB COC(=O)c1ncn(Cc2ccc(Br)c(F)c2)n1 96452636 ZCEQKEROTHTPMY-UHFFFAOYSA-N 314.114 2.015 0 40 DEAB CCCN(CCC)C(=O)CCNS(=O)(=O)c1ccccc1 20629034 ZLIQYGZMVGICBN-UHFFFAOYSA-N 312.435 2.004 0 40 DEAB CN(Cc1ccccc1)Cn1nc2c3ccccc3ncn2c1=O 12181772 YGFFZNYYOLYGRH-UHFFFAOYSA-N 319.368 2.134 0 40 DEAB COc1ccc2cc(C)c3nn(CN4CCCC4)c(=O)n3c2c1 12182979 QNSJLYCSESHWNT-UHFFFAOYSA-N 312.373 2.020 0 40 DEAB Cc1occc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 12677382 PSHYVGCPQFDBRJ-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB O=C(CCSCc1ccccc1)NCCCN1CCOCC1 13688177 KHCDOJCBUHEYFX-UHFFFAOYSA-N 322.474 2.148 0 40 DEAB COc1cccc(NC(=O)Cc2csc(NC(C)=O)n2)c1 16890634 CBLYPGLBVWYPQJ-UHFFFAOYSA-N 305.359 2.291 0 40 DEAB CCCC(=O)N1CCC(c2nnc(-c3cnc(C)cn3)o2)CC1 19501178 VFTSKZBCDZQTBL-UHFFFAOYSA-N 315.377 2.341 0 40 DEAB COc1ccnc(N(C)Cc2cnn(Cc3ccccc3)c2)n1 15143573 CUKIVERRAWCPEL-UHFFFAOYSA-N 309.373 2.366 0 40 DEAB O=c1c2sccc2ncn1C[C@@H](O)COCc1cccs1 25237645 RTDNPKKRWOMXDS-SNVBAGLBSA-N 322.411 2.097 0 40 DEAB C[C@H]1CN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CCO1 25835943 GQYINVFGCQWKOQ-GJZGRUSLSA-N 316.445 2.463 0 40 DEAB CCOc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 72252 GDTOOHALXNWXMD-RMKNXTFCSA-N 311.135 2.028 0 40 DEAB Cc1nnsc1C(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974695 LWAFVVMXOIPDDX-UHFFFAOYSA-N 313.386 2.202 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3cnc4ccccc4n3)C2)nc1 2086889526 OGSNPWNEKHUIEX-GFCCVEGCSA-N 323.356 2.086 0 40 DEAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1ccc[nH]c1=O 38753277 NADBZWQUDXTUNS-UHFFFAOYSA-N 313.288 2.099 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H]2CCCSC2)n1 96452325 YIKGVBQVZUVLAQ-SMDDNHRTSA-N 310.467 2.331 0 40 DEAB CCOc1ccc(CN[C@H](C(N)=O)c2ccccc2)cc1OC 30514889 BJNHORQKXVXTTE-KRWDZBQOSA-N 314.385 2.410 0 40 DEAB CCOCCO[C@@H](C)C(=O)NCCc1c[nH]c2cc(F)ccc12 50765525 RYJJXIOQSRYICX-LBPRGKRZSA-N 322.380 2.407 0 40 DEAB COc1ccc(OC)c(NC(=O)c2cccnc2N(C)C)c1 31675318 XELIJJIARFGZET-UHFFFAOYSA-N 301.346 2.417 0 40 DEAB CN(Cc1ccncc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40512847 KHPKZGLPPVIHRY-AWEZNQCLSA-N 313.332 2.305 0 40 DEAB COc1ccc(OC)c(CN[C@@H](C)c2nnc3n2CCC3)c1 40513718 OGFITRRKXYHPFX-NSHDSACASA-N 302.378 2.092 0 40 DEAB OCCNc1nc(Nc2cccc(Cl)c2)nc2[nH]cnc12 32105446 BOEDCSPQJSVMRO-UHFFFAOYSA-N 304.741 2.154 0 40 DEAB Cc1cc(NC(=O)COc2cccc(N3CCCC3=O)c2)no1 32765174 TWCNBHGMZQHUGZ-UHFFFAOYSA-N 315.329 2.127 0 40 DEAB O=C(NC1CCCC1)c1ccc(CN2C(=O)CCC2=O)cc1 32736183 HAHSFLRFHNARSF-UHFFFAOYSA-N 300.358 2.008 0 40 DEAB CC(=O)N[C@H](CC(=O)Nc1nncs1)c1ccc(Cl)cc1 32882365 HWARGOLSPOHTIN-LLVKDONJSA-N 324.793 2.398 0 40 DEAB COc1ccc(OCCOc2cc(OC)ccc2C(N)=O)cc1 32958213 XVACJMCOOSMLQA-UHFFFAOYSA-N 317.341 2.261 0 40 DEAB CCOc1ccccc1C(=O)Oc1cccc(-n2cnnn2)c1 21798539 MPCVCZTZQVGDLJ-UHFFFAOYSA-N 310.313 2.280 0 40 DEAB O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ncccc1O 22102379 SLONXFWNZTWLGL-LBPRGKRZSA-N 311.341 2.317 0 40 DEAB Cc1nn(C)c2sc(C(=O)N3CCO[C@H]4CCC[C@H]43)cc12 53377161 CCTZQIFMLQTRCE-NEPJUHHUSA-N 305.403 2.337 0 40 DEAB CC(=O)N[C@H](C(=O)N1CCc2sccc2C1)C1CCCC1 42010624 IXFQFKILVGQBLS-HNNXBMFYSA-N 306.431 2.328 0 40 DEAB CC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 23218050 HBFUSKRAASGBOR-UHFFFAOYSA-N 301.415 2.474 0 40 DEAB CC(=O)N1CCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 23701204 ZWINIKKKJABSGT-JTQLQIEISA-N 306.391 2.023 0 40 DEAB NNc1nnc2c3cc(F)ccc3n(Cc3ccccc3)c2n1 540832 QPWQDQPRXBGKND-UHFFFAOYSA-N 308.320 2.453 0 40 DEAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1O 565156 MQFCTXBWOIXBSL-MRXNPFEDSA-N 317.728 2.458 0 40 DEAB Cc1occc(=O)c1OCC(=O)NCc1cccc(Cl)c1 40268233 CHROETMMGIJTOC-UHFFFAOYSA-N 307.733 2.297 0 40 DEAB CN(C)N1C(=O)C(=O)OC1=C(c1ccccc1)c1ccccc1 1752062 DTRHOXPALVTVFP-UHFFFAOYSA-N 308.337 2.266 0 40 DEAB CCCOC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 1775281 WQXDDHVIPSOHJG-UHFFFAOYSA-N 306.387 2.290 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)no1 40467602 GGBRLOJQDYBXPP-SNVBAGLBSA-N 303.293 2.114 0 40 DEAB Cc1ccc(OCCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 3075269 UTGNOVQBXRWDFM-CABCVRRESA-N 303.358 2.157 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(C=O)cc1 3386102 YPAZQSLJIXJETN-SWLSCSKDSA-N 303.358 2.351 0 40 DEAB CS[C@@H](C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 40553640 QIYYTVOKESNRDG-LBPRGKRZSA-N 304.419 2.252 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1 40526632 KJHYOSODZBDZLK-TXEJJXNPSA-N 300.366 2.172 0 40 DEAB O=c1cc(CSc2nc3ccccc3s2)[nH]c2ncnn12 100979103 OVCIDNUEAAUGOQ-UHFFFAOYSA-N 315.383 2.320 0 40 DEAB CN(C)C(=S)/N=c1/ss/c(=N/c2ccccc2)n1C 104277131 CLTQXRQZNGPZGB-PHEQNACWSA-N 310.473 2.128 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)c1sc(-c2ccsc2)nc1C 11411899 DTPQGLWDHRJOCO-SECBINFHSA-N 323.443 2.434 0 40 DEAB NC(=O)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1 11486089 MCYMAEWDOAEQKT-UHFFFAOYSA-N 322.368 2.024 0 40 DEAB C/C=C/C=C/C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 29100205 GZQOAEKUHDNNBZ-CRBCFSCISA-N 302.349 2.242 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(C3CC3)s2)c1C 21291889 HJUNIKFZPXTOKZ-UHFFFAOYSA-N 320.374 2.399 0 40 DEAB Cc1cc(C(=O)OCC(=O)NC(=O)c2cccs2)c(C)o1 7158797 QVCLRJYIYDQNDH-UHFFFAOYSA-N 307.327 2.071 0 40 DEAB O=C(NCCCN1CCOCC1)c1ccc(-c2ccco2)cc1 20149713 FAMIPFADQPATKZ-UHFFFAOYSA-N 314.385 2.399 0 40 DEAB COc1c2c(cc3c1[C@@H](Cc1cc(C)on1)N(C)CC3)OCO2 488932 FXHAALPDVFGBNW-CYBMUJFWSA-N 316.357 2.492 0 40 DEAB biogenic CCOC(=O)N(C)CC(=O)Nc1cccc(-c2ccn[nH]2)c1 52565722 TUJODNMVDUTODB-UHFFFAOYSA-N 302.334 2.104 0 40 DEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(OC)c(Cl)c1 2653693 AFTUNNHXEDADOZ-UFBFGSQYSA-N 313.785 2.370 0 40 DEAB O=C(Nc1ccccc1C(=O)O[C@@H]1CCOC1=O)c1ccco1 2621764 RQSANBQKXUOBGS-CYBMUJFWSA-N 315.281 2.004 0 40 DEAB O=C(CCOc1ccc(F)cc1Cl)N1CCCNCC1 41511422 LKRGTDVOPKWFRO-UHFFFAOYSA-N 300.761 2.070 0 40 DEAB CCn1c(S)nc2cc(C(=O)N(C)CC(C)C)ccc2c1=O 103073997 ZHRBAZBFSSOSQI-UHFFFAOYSA-N 319.430 2.433 0 40 DEAB CCc1[nH]c(C(=O)Nc2ncccc2O)c(C)c1C(=O)OC 22263844 WMFOZTONGMLGSZ-UHFFFAOYSA-N 303.318 2.025 0 40 DEAB Cc1cnc(C(=O)NC2CCN(Cc3ccccc3C)CC2)cn1 42127216 WBWREDFRMJAYRP-UHFFFAOYSA-N 324.428 2.488 0 40 DEAB CC1(C)NC(=O)N(Cc2ccc(F)c(Br)c2)C1=O 42274164 DWZHIOCUBGWYOM-UHFFFAOYSA-N 315.142 2.419 0 40 DEAB Cc1nnc(CN2C[C@@H]3CC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)o1 110714797 YFVWEFBQKJWCEN-RWMBFGLXSA-N 322.409 2.113 0 40 DEAB O=C(Nc1ccccc1F)NC1CCN(C(=O)C2CC2)CC1 23055323 MRRFTPQDXAKVEH-UHFFFAOYSA-N 305.353 2.348 0 40 DEAB O=C(Nc1cccc2cn[nH]c12)[C@H]1CCCN(C(=O)C2CC2)C1 42468267 HKLMUJKHEGHBHB-ZDUSSCGKSA-N 312.373 2.150 0 40 DEAB C[C@H](CC(=O)O)NC(=O)COc1ccc(Cl)cc1Cl 37411928 MAAMAEKRXKVCIK-SSDOTTSWSA-N 306.145 2.352 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@H](C)OC[C@H]3C)cc(=O)oc12 105719346 GMVCBTVGLVQGID-MNOVXSKESA-N 303.358 2.416 0 40 DEAB O=S(=O)(NC(C1CC1)C1CC1)c1cccc2nsnc12 24475118 OODRTWYJRSSXIF-UHFFFAOYSA-N 309.416 2.158 0 40 DEAB CN(C)C[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 55295315 XFXBQBJOHZMUOF-MRXNPFEDSA-N 318.442 2.138 0 40 DEAB O=C(NC1CCN(Cc2ccccc2)CC1)C1CCOCC1 25134359 XEAIZCPTPNKNIM-UHFFFAOYSA-N 302.418 2.194 0 40 DEAB NC(=O)[C@@H](NCc1cccc(N2CCCC2=O)c1)c1ccccc1 56153599 RHAHNBLWGYEAAZ-SFHVURJKSA-N 323.396 2.130 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)Cc2cn3ccsc3n2)cn1 71799271 PRQNENUPKBNGFL-ZDUSSCGKSA-N 315.402 2.036 0 40 DEAB NC(=O)c1ccc(F)c(NC(=O)c2ccc(NC3CC3)nc2)c1 57215207 KTGLQVUBCRJENB-UHFFFAOYSA-N 314.320 2.146 0 40 DEAB O=C(O)CN1CCN(Cc2cccc(Cl)c2Cl)CC1 83663484 HMQNWWWGXIDKMW-UHFFFAOYSA-N 303.189 2.196 0 40 DEAB Cn1c(S)nnc1CNC(=O)C1(c2ccccc2)CCCC1 109054585 DASYSUUFBJIQBP-UHFFFAOYSA-N 316.430 2.232 0 40 DEAB COc1ccc(C(N)=O)cc1NC(=O)[C@]1(C)CC1(Cl)Cl 44700996 MURJUVPFQNDSQM-LBPRGKRZSA-N 317.172 2.317 0 40 DEAB Cc1cccc(NC(=O)CN2CCN(c3ccccn3)CC2)c1 58120399 AJADIMFRRRXJAI-UHFFFAOYSA-N 310.401 2.151 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)CN(C)Cc2ccccc2)cc1 58245612 YOPBMTNWOODZEV-GOSISDBHSA-N 312.413 2.277 0 40 DEAB CC(C)Oc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cn1 58365112 QRAZGXKEEINKEY-UHFFFAOYSA-N 306.362 2.386 0 40 DEAB COc1ccc([C@H](C)NC[C@@H]2CNc3ccnn3C2)cc1F 58305868 MLHUHLFIVJIQHV-NWDGAFQWSA-N 304.369 2.423 0 40 DEAB C[C@H](NC[C@H]1CNc2ccnn2C1)c1ccc2c(c1)OCCO2 58405225 QQSUFEJPICUNOF-STQMWFEESA-N 314.389 2.047 0 40 DEAB C[C@@H](NC(=O)NCC(C)(C)N1CCOCC1)c1cccs1 48235518 GFHSNMVSSRPPLB-GFCCVEGCSA-N 311.451 2.219 0 40 DEAB Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cn2)c(=O)[nH]1 48345126 HISQKNGYRSODQM-UHFFFAOYSA-N 306.753 2.006 0 40 DEAB O=C(O)C[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 3626857 HDRGUIIOXMIEPF-CQSZACIVSA-N 319.382 2.223 0 40 DEAB Cc1cc(C(=O)Nc2nn3cnnc3s2)c2ccccc2n1 13118084 GXZLPQVUQNSHHS-UHFFFAOYSA-N 310.342 2.295 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cc(C)on2)cc1 48912645 CIIZNTXNIKUWDF-LLVKDONJSA-N 315.373 2.441 0 40 DEAB CCOc1ccc(NS(=O)(=O)c2cc(N)ccc2OC)cc1 3885512 AAOCXTAQSXUNCH-UHFFFAOYSA-N 322.386 2.477 0 40 DEAB C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)C1Cc2ccccc2C1 69484336 OYCCRQOOVDWVAS-GUYCJALGSA-N 303.402 2.196 0 40 DEAB Cc1cnn(C[C@H](C)NCc2ccc(C(=O)NC3CC3)cc2)c1 69463996 BDDLPSOLMBTOJX-AWEZNQCLSA-N 312.417 2.262 0 40 DEAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 81312973 LHGNVULUZXZYQW-GFCCVEGCSA-N 320.355 2.434 0 40 DEAB CCC(CC)NC(=O)CSc1nnnn1-c1ccccc1 5035298 MLKBKSCVPPWTBL-UHFFFAOYSA-N 305.407 2.059 0 40 DEAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nncn2c1 65199317 JPDABWZUPTUIHL-UHFFFAOYSA-N 308.750 2.184 0 40 DEAB COC(=O)CCNC(=O)Nc1ccccc1OC(F)(F)F 70007401 BTKIVHYQEJEHCR-UHFFFAOYSA-N 306.240 2.270 0 40 DEAB C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCOCC1 65423402 LYCVBMUBIQONAX-LLVKDONJSA-N 315.373 2.364 0 40 DEAB Cc1nc2n(c1C)CCN(C[C@@H](O)c1ccc(F)cc1F)C2 65474470 JARHCKNFJCCCEV-OAHLLOKOSA-N 307.344 2.327 0 40 DEAB O=C([C@H]1CCCO1)N1CCN(Cc2cccc(Cl)c2)CC1 14193030 LMKFTBXRDYWVFZ-OAHLLOKOSA-N 308.809 2.163 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NC(C)C)cc1 14240075 AADCGQOHQJOWOP-OAHLLOKOSA-N 324.446 2.063 0 40 DEAB Cc1ccc([C@]23CCC(=O)N2[C@H](C(=O)NC2CC2)CS3)cc1 6509642 JNBJOOFFEFGYCS-WMLDXEAASA-N 316.426 2.164 0 40 DEAB CC(C)OCCOCc1cccc(NC(=O)N2CCOCC2)c1 65985439 DKBMPRHFMFXNPS-UHFFFAOYSA-N 322.405 2.492 0 40 DEAB CCCN1CCCN(C(=O)c2cc(OC)ccc2OC)CC1 69665819 RLOTZNVMOOGOCR-UHFFFAOYSA-N 306.406 2.262 0 40 DEAB CCS(=O)(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 69628154 CDYAZJAMLBUTSZ-UHFFFAOYSA-N 311.384 2.474 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(CC3(O)CCCCC3)C2)n1 69697886 FSJBBQGRSNIDCW-MRXNPFEDSA-N 306.454 2.302 0 40 DEAB COc1ccc(-c2nc(CNC(=O)[C@@H]3CC=CCC3)n[nH]2)cc1 69772175 QQKOHNKOLLILNY-CYBMUJFWSA-N 312.373 2.453 0 40 DEAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 4975811 UHZBBJMZZAEKHP-SECBINFHSA-N 310.423 2.076 0 40 DEAB COc1ccccc1NC(=O)Cn1cnc2c(C)cccc2c1=O 9497396 BWUHBTJUTGCPLD-UHFFFAOYSA-N 323.352 2.352 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 71866035 FWUFZCNMJMEJCJ-GDBMZVCRSA-N 305.422 2.388 0 40 DEAB C[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 96502587 HXJCUUCTFYIVMV-UKRRQHHQSA-N 316.405 2.019 0 40 DEAB NC(=O)[C@@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 71955454 BYXSMDWDKXMDTB-CYBMUJFWSA-N 319.368 2.003 0 40 DEAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 75130943 ACTBGAUKFNBERA-CYBMUJFWSA-N 324.388 2.194 0 40 DEAB CCOC(=O)c1cc(NC(=O)Cn2ncc3ccccc32)c[nH]1 75258344 QEPWRZQEACAVJT-UHFFFAOYSA-N 312.329 2.180 0 40 DEAB CCN1C[C@H](C(=O)N2CCCC[C@@H]2c2nc(C)cs2)CC1=O 72232434 BXCQTMAFROTZBI-CHWSQXEVSA-N 321.446 2.374 0 40 DEAB CCc1nc(C)ncc1C(=O)N1CCC[C@H](c2noc(C)n2)C1 72287793 LFQHFRROMXKKGJ-LBPRGKRZSA-N 315.377 2.059 0 40 DEAB CNC(=O)[C@@H]1CCCN(Cc2cc(C(=O)OC)ccc2Cl)C1 97080396 ZMNUFIWRXUWIRX-GFCCVEGCSA-N 324.808 2.085 0 40 DEAB NC(=O)c1cncc(Oc2ncnc3sc4c(c23)CCC4)c1 97047890 GIKWFRNCGDJTNB-UHFFFAOYSA-N 312.354 2.466 0 40 DEAB O=C(NCCc1nc2ccc(F)cc2[nH]1)c1cc(C2CC2)[nH]n1 72306680 USUYGVBIFSRLEF-UHFFFAOYSA-N 313.336 2.275 0 40 DEAB CC[C@H](Cc1ccccc1Br)C(=O)Nc1nnn[nH]1 89943695 DAWHYRHQPBVSLX-MRVPVSSYSA-N 324.182 2.170 0 40 DEAB CCCc1ncc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)s1 89960530 IFGKZUZTBCZZSA-CMPLNLGQSA-N 312.460 2.442 0 40 DEAB COCCn1cc(NC(=O)[C@H](C)Cc2ccccc2)ccc1=O 89904169 FIHLRUSFVLZBPT-CQSZACIVSA-N 314.385 2.312 0 40 DEAB C[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C[C@@H]1O 97373476 GXLLCALYOYSYBC-GWCFXTLKSA-N 307.394 2.475 0 40 DEAB C[C@H](Nc1ccc2nnnn2n1)c1nc2cc(Cl)ccc2[nH]1 95395467 MMODOIHFHMGNFG-ZETCQYMHSA-N 314.740 2.222 0 40 DEAB CC(C)COc1ccc(C(C)(C)C(=O)NCc2nc[nH]n2)cc1 95394937 OVSFORJNWIQFTL-UHFFFAOYSA-N 316.405 2.434 0 40 DEAB CC(C)N(C)CC(=O)Nc1cccn(Cc2ccccc2)c1=O 88361302 CYPHDCXINRVOOK-UHFFFAOYSA-N 313.401 2.175 0 40 DEAB CN1CCO[C@@H](c2noc(C3(c4ccccc4F)CC3)n2)C1 95999189 PSFUGYPGQPQLSE-CYBMUJFWSA-N 303.337 2.292 0 40 DEAB C[C@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@@H]1CCN(C)C1 78932499 FPMCHUIGXNGACX-ZIAGYGMSSA-N 320.408 2.445 0 40 DEAB CC(C)COc1cncc(N2CC[C@H](Cc3cnn(C)c3)C2)n1 86187043 OKMBJJIDZGJPPN-CQSZACIVSA-N 315.421 2.314 0 40 DEAB CN(C)c1ncncc1NC(=O)c1ccc(C(F)(F)F)nc1 89322931 IINKIYNKLDRKRK-UHFFFAOYSA-N 311.267 2.209 0 40 DEAB CCn1nc(C)c(CC(=O)N2CCC(c3cc[nH]n3)CC2)c1C 556271812 ADMOGBXAMFMKOK-UHFFFAOYSA-N 315.421 2.192 0 40 DEAB COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn21 306134958 OCLNBDCTDWFZOB-MUBLQREKSA-N 303.387 2.188 0 40 DEAB Cn1cc([C@H](C(=O)O)N2CCCCC2)c2ccc(C(=O)O)cc21 36360661 ZOMNMULPFCMFBP-OAHLLOKOSA-N 316.357 2.488 0 40 DEAB CC1=NNC(=O)[C@H]1CCNC(=O)c1cccc(C(F)F)c1F 528556587 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Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccccc21 4034536 GTFAHLYRXDRZNI-UHFFFAOYSA-N 321.384 2.263 0 40 DEAB C[C@H](c1cccnc1)N1CCN(C[C@H](O)c2ccccc2)CC1 69739708 JGCWZGKNRAHMEF-APWZRJJASA-N 311.429 2.494 0 40 DEAB O=C(Oc1ccccc1)N1CCN(C(=O)c2ccco2)CC1 5354225 VEDZGCFJHWEYKQ-UHFFFAOYSA-N 300.314 2.236 0 40 DEAB CC1CCC(OC2CCN(c3ccc4nnnn4n3)CC2)CC1 69872308 MANZJMGJXPTEOD-UHFFFAOYSA-N 316.409 2.083 0 40 DEAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)O)CC1 66057194 KQZUKYFHMSMSSG-CQSZACIVSA-N 305.374 2.476 0 40 DEAB CCC1=C(C(=O)OC)[C@@H](c2ccc(OC)cc2)n2ncnc2N1 6851035 WCOAWIYZOVCWQR-CQSZACIVSA-N 314.345 2.139 0 40 DEAB CCN(CC)C(=O)COC(=O)c1ccc2nc(C)c(C)nc2c1 6848146 HQJQXWWKXBCKIQ-UHFFFAOYSA-N 315.373 2.272 0 40 DEAB CCn1c(CN2CCCC[C@H]2C(N)=O)nc2cc(F)ccc21 66828582 WCXHFQRTYWFACQ-AWEZNQCLSA-N 304.369 2.035 0 40 DEAB COc1ccc(Br)cc1S(=O)(=O)N(C)C(C)C 7376024 QXYXZZTYQSLPCB-UHFFFAOYSA-N 322.224 2.487 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 7670886 RIZWGYKWEMRDBP-OAHLLOKOSA-N 312.369 2.253 0 40 DEAB COC(=O)C[C@H](NC(=O)CCc1ccccn1)c1cccs1 68732180 RPCVYMYMBVCGAB-ZDUSSCGKSA-N 318.398 2.496 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(SC)cc1 8024084 LMJWHGRAIJZEEN-LLVKDONJSA-N 313.448 2.137 0 40 DEAB C[C@H](CCO)NCc1cc(Br)cc2c1OCC2 96009288 PFZOWUUUGOGKOP-SECBINFHSA-N 300.196 2.245 0 40 DEAB NC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 9336171 QWHLIACGBFFYGI-GFCCVEGCSA-N 306.431 2.355 0 40 DEAB O=C(CN1CCO[C@H](c2ccccc2)C1)N1CCCCCC1 71852535 KUUDQJYESWYSMI-KRWDZBQOSA-N 302.418 2.463 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)cn1 71830737 UJJANVFEISHPHP-ZNMIVQPWSA-N 302.422 2.262 0 40 DEAB CCO[C@@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 71827105 UAVPTMAZTLGIMP-OAHLLOKOSA-N 314.385 2.098 0 40 DEAB O=C(NCc1cc[nH]n1)c1ccc(OCc2ccccc2)nc1 71853767 ZWFVAYBMDVMLCZ-UHFFFAOYSA-N 308.341 2.314 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccncc2)CC1 71835145 CRNGWZDDKFNBOF-HZPDHXFCSA-N 311.385 2.123 0 40 DEAB COc1cc(CNC(=O)NC[C@@H]2CCCN(C(C)C)C2)ccn1 71857216 GBCHXBVHJQUXPD-HNNXBMFYSA-N 320.437 2.010 0 40 DEAB Cc1cnn(CCCNC(=O)N[C@H](C)c2csc(C)n2)c1 71886657 FZNARYWYATWSHG-LLVKDONJSA-N 307.423 2.407 0 40 DEAB Cc1cc(C(=O)N2CCN(C)C[C@@H]2C)c2ccc(F)cc2n1 89582898 VOXPWANNHGABPL-LBPRGKRZSA-N 301.365 2.458 0 40 DEAB Cc1ccc(C(=O)NCc2cc(-c3ccccc3)no2)c(=O)[nH]1 75119828 BAHNETHFTYVGSO-UHFFFAOYSA-N 309.325 2.268 0 40 DEAB O=C(NCc1nc[nH]n1)C1c2ccccc2Oc2ccccc21 89857845 RXZLLNARWYCRTC-UHFFFAOYSA-N 306.325 2.359 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)N(C)CCCn2ccnc2)C12CCC2 89985731 SMBHMJSQNSVZLJ-LSDHHAIUSA-N 320.437 2.262 0 40 DEAB COc1ccccc1-c1cc(C(=O)N2CCN(C)C[C@@H]2C)no1 89938408 IYVDZFIJZICMOR-LBPRGKRZSA-N 315.373 2.126 0 40 DEAB CC[C@H]1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1 97113894 LYGZNADTJXDVFF-ZDUSSCGKSA-N 316.405 2.476 0 40 DEAB O=C(OCCn1cccn1)c1c[nH]nc1-c1ccc(F)cc1 97147449 RWEIOCOVJCXOIS-UHFFFAOYSA-N 300.293 2.269 0 40 DEAB O=C(O)Cc1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1 72324703 FUGVAYLBJFWJBY-UHFFFAOYSA-N 313.309 2.193 0 40 DEAB biogenic CCOCCCNS(=O)(=O)c1cc(C)ccc1OCC 72414587 NGPVZGFXOXPEQX-UHFFFAOYSA-N 301.408 2.099 0 40 DEAB C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)CCc1nc(C(C)(C)C)no1 76022042 RZMKZQHZXVDDCL-STQMWFEESA-N 322.453 2.098 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O 77939090 VLRZKMCOUDFVFE-FZMZJTMJSA-N 324.808 2.254 0 40 DEAB O=C(CCC(=O)c1ccc(Cl)cc1)N[C@@H]1C=C[C@H](CO)C1 95976844 OUNQWUICEBBWSE-SMDDNHRTSA-N 307.777 2.356 0 40 DEAB O=C(NC[C@H](CO)Cc1ccccn1)[C@H]1CCCc2ccccc21 79018847 DGGUHWIDRMTCCN-BEFAXECRSA-N 324.424 2.469 0 40 DEAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1C[C@@H]2CC=CC[C@H]2C1 110648165 XBNGIMMHAJXZRV-RWMBFGLXSA-N 317.355 2.231 0 40 DEAB CC1(CCC(=O)N[C@@H]2CCCC[C@@H]2n2cc(C(=O)O)nn2)CC1 1551456135 SAKJQQHANMERBR-YPMHNXCESA-N 320.393 2.157 0 40 DEAB CCN(CC(=O)O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79392382 GIKVZPWPDGVRAU-LBPRGKRZSA-N 300.399 2.040 0 40 DEAB COc1cccc(NC(=O)CCN2CCC[C@H](CCO)C2)c1 72636317 BYQRMHYBWPXBMY-CQSZACIVSA-N 306.406 2.118 0 40 DEAB C[C@@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(F)cc1F)nn2C 35597817 ZLHVJVAKXXVSPG-SSDOTTSWSA-N 320.299 2.396 0 40 DEAB O=C(NCCOc1ccc(Cl)cc1)NC[C@@H]1CC[C@H](O)C1 189785938 OOCDZPHIKNMPOU-YPMHNXCESA-N 312.797 2.179 0 40 DEAB COCCn1ccc2cc(NC(=O)N[C@H](C)[C@H](C)CO)ccc21 77702213 OCFVBINAFHOUGL-CHWSQXEVSA-N 319.405 2.426 0 40 DEAB CCOc1ccc(NC(=O)NCC(=O)NC2CC2)cc1Cl 47601320 JPPFZXVIKPNEAM-UHFFFAOYSA-N 311.769 2.139 0 40 DEAB Nc1nccnc1C(=O)N1CC[C@H](CSc2ccccc2)C1 81287370 XCCPJUWHSVUYLX-LBPRGKRZSA-N 314.414 2.313 0 40 DEAB CCOC(=O)c1c(S(=O)(=O)Nc2cccc(C)c2)n[nH]c1C 47417487 UTKJCFQIMGYOSR-UHFFFAOYSA-N 323.374 2.004 0 40 DEAB O=S(=O)(Cc1coc(-c2cccs2)n1)c1cnccn1 85232837 FFMVCUQISRTBBU-UHFFFAOYSA-N 307.356 2.167 0 40 DEAB O=C(N[C@@H]([C@H]1CCNC1)C(F)(F)F)OCc1ccccc1 228905617 GKSGKNQRGRVJFB-RYUDHWBXSA-N 302.296 2.453 0 40 DEAB O=C(NCCc1ccc2c[nH]nc2c1)[C@@]12CCCC[C@@H]1NCC2 1580698966 FAJJXPNVLPNVPO-FUHWJXTLSA-N 312.417 2.144 0 40 DEAB CC[C@](C)(CC(=O)O)NC(=O)c1cc(Br)c[nH]1 195551134 WUOLSJPUSNMMQL-LLVKDONJSA-N 303.156 2.150 0 40 DEAB Cn1c(CCCNC(=O)c2n[nH]c3c2CCC3)nc2ccccc21 96223024 NZCCDPPKGNGONF-UHFFFAOYSA-N 323.400 2.148 0 40 DEAB CS(=O)(=O)CCN1CC(OCc2cccc3ccccc23)C1 96456390 OLNNRNCMXFYFIA-UHFFFAOYSA-N 319.426 2.085 0 40 DEAB CC(C)CCNC(=O)[C@@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475895 FTYVNFNPVQDIJW-GFCCVEGCSA-N 314.389 2.078 0 40 DEAB COC(=O)c1csc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 97376288 QUIWCVFGGYCJDM-ZDUSSCGKSA-N 308.403 2.348 0 40 DEAB Cn1cc(CN2C[C@H]3CCC[C@@]3(COc3ccccn3)C2)cn1 96109359 WQFQJEOQPFXQCL-AEFFLSMTSA-N 312.417 2.496 0 40 DEAB Cc1nc(C(=O)N2C[C@H]3CC[C@H](Cc4cnccn4)[C@H]3C2)co1 257265274 LXYSDVMRUPGFPN-UMVBOHGHSA-N 312.373 2.114 0 40 DEAB Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(C(=O)O)cc2)n1 262431984 MMYVHCDDEIFZTG-CYBMUJFWSA-N 315.373 2.466 0 40 DEAB O=C(NC1(c2c(F)cccc2F)CCCC1)[C@H]1COCCO1 585142086 OMLRMGHAZXHCKF-CYBMUJFWSA-N 311.328 2.266 0 40 DEAB CCc1nc(C)ncc1C(=O)Oc1ccc(-c2ncn(C)n2)cc1 1516777887 CGPPKYHLCIHABD-UHFFFAOYSA-N 323.356 2.362 0 40 DEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3c(c2)COC3)no1 50026337 CLHKLYSPCUFLAH-JTQLQIEISA-N 316.313 2.197 0 40 DEAB C[C@H](COc1ccccc1F)NC(=O)NCc1cccnc1 55087615 QBINVJLPGAZSSE-GFCCVEGCSA-N 303.337 2.487 0 40 DEAB CC[C@H]1CN(C(=O)CCc2ccc(C(=O)OC)cc2)CCO1 68261789 WPBIIVUMHXFTKG-HNNXBMFYSA-N 305.374 2.043 0 40 DEAB O[C@]1(C(F)(F)F)CC(c2ccccc2Br)=NN1 1857787639 YDOQZLQUSOSEOF-VIFPVBQESA-N 309.085 2.397 0 40 DEAB COC(=O)c1sccc1N1C(=O)C(Cl)=C(Cl)C1=O 162605 QHLXDUUMOIZYAZ-UHFFFAOYSA-N 306.126 2.097 0 40 DEAB Cc1cnc(N2CCN(c3ccc(-c4ccco4)nn3)CC2)nc1 1775978515 SVADTHALSYPXTF-UHFFFAOYSA-N 322.372 2.162 0 40 DEAB N[C@H](CSCc1oc(-c2ccccc2)cc1C(=O)O)C(=O)O 5604479 OWKFSBMZASSGMV-LLVKDONJSA-N 321.354 2.290 0 40 DEAB O=C(O)[C@H](Cc1c[nH]c2ccccc12)N[C@@H]1CCCC[C@H]1O 5604874 HOKYAVGHMWIYJK-OWCLPIDISA-N 302.374 2.057 0 40 DEAB CCn1c(CNC(=O)NCc2ccccc2)nnc1SC 5001670 RLUNPJNPNLLRCV-UHFFFAOYSA-N 305.407 2.019 0 40 DEAB Cc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCOCC1 15831782 LYDPLGBNKZASHQ-MRXNPFEDSA-N 314.385 2.391 0 40 DEAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)NC3CCCC3)C2)s1 19747840 COFFOKQSAXTGAS-GFCCVEGCSA-N 321.446 2.281 0 40 DEAB COc1ccc([C@@H]2CC(=O)c3cn4ncnc4nc3C2)cc1OC 19816477 FPUVRYANRGXEOJ-NSHDSACASA-N 324.340 2.054 0 40 DEAB COc1nccnc1O[C@H]1CCN(C(=O)CCC2CCCC2)C1 225806750 WNROGKBNTMPVPT-AWEZNQCLSA-N 319.405 2.435 0 40 DEAB Cc1cc(C(=O)N(C)Cc2nccn2C)c(C)n1[C@H]1CCOC1 527706777 YJTVEDMKCNXBBY-AWEZNQCLSA-N 316.405 2.072 0 40 DEAB CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NCC(=O)O)CC1 252517515 KLPBZMFXLIOORL-HAQNSBGRSA-N 300.399 2.229 0 40 DEAB CCOC(=O)c1ccoc1COC(=O)c1c(C)cc(=O)oc1C 26011981 BVKJSPBGYQCIDN-UHFFFAOYSA-N 320.297 2.383 0 40 DEAB CC(C)N1C[C@H](C(=O)NCc2nc3ccccc3s2)CC1=O 28425671 SGKZIEWTJLXXNG-LLVKDONJSA-N 317.414 2.169 0 40 DEAB CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@]3(COC)C2)cn1 1565545277 CMNLPVHXZVGCKG-SJLPKXTDSA-N 318.417 2.302 0 40 DEAB CCOc1ccc(NC(=O)C[C@H](NCC(C)C)C(=O)O)cc1 4280038 CBFWSFTVZLNKAX-AWEZNQCLSA-N 308.378 2.113 0 40 DEAB O=S(=O)(CCCOc1ccc(F)cc1)N1CCCCC1 12440744 FMBWTPWDBOFVQP-UHFFFAOYSA-N 301.383 2.410 0 40 DEAB CC(C)(C)C(=O)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCc1ccccn1 2055745796 BVPFYGPZWHTXGH-ARFHVFGLSA-N 318.417 2.403 0 40 DEAB O=C([C@H]1CCCN1C(=O)OCc1ccccc1)N1CCCC1 11622 VJDNUCLKCQKXMM-OAHLLOKOSA-N 302.374 2.410 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1 70271 KBQMGWYLUPKPKV-CHWSQXEVSA-N 324.352 2.135 0 40 DEAB CC[C@H]1Oc2ccc(C(C)=O)cc2N(CCCN(C)C)C1=O 61997434 AWIVIQQWZRJVEV-OAHLLOKOSA-N 304.390 2.345 0 40 DEAB Nc1ccc(C(=O)Nc2c(N)cc(N)cc2Br)cc1 360546 ZBJULVSSOBIGFS-UHFFFAOYSA-N 321.178 2.448 0 40 DEAB Cc1ccc(-n2ncc(N3CCOCC3)c(Cl)c2=O)cc1 1392445 USZVVVSLKZCNQI-UHFFFAOYSA-N 305.765 2.031 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1cccs1 3244083 ICHIPLIDLJTKIW-UHFFFAOYSA-N 301.367 2.490 0 40 DEAB O=C(NCc1nnc2ccccn12)N1CCc2sccc2C1 43710509 FWNLVGDXJNCMIB-UHFFFAOYSA-N 313.386 2.059 0 40 DEAB C=CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4696866 OSOUGEWZMPBJEN-CJXOWJITSA-N 309.321 2.090 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 4719413 CZWNOIFPSYXNRQ-XGUBFFRZSA-N 323.348 2.175 0 40 DEAB COC(=O)N1CCC(NC(=O)N(C[C@H]2C[C@@H]2C)C(C)C)CC1 95962782 NRGNWVMSYZJWQD-QWHCGFSZSA-N 311.426 2.293 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)NC[C@@H]3CCCO3)c12 27396817 IKSKCNYWRYYIAT-NSHDSACASA-N 301.346 2.317 0 40 DEAB C[C@H]1CC[C@@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1 95979828 HUYLZQRRHONJAB-NHYWBVRUSA-N 303.337 2.195 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1cc(Cl)ccc1C 58265442 OQHXUBVUEQORPU-JTQLQIEISA-N 315.826 2.377 0 40 DEAB COc1ccc(-c2nnc(NC(=O)c3cc(C)n(C)n3)o2)cc1 9001851 SSDBESHELKLBAH-UHFFFAOYSA-N 313.317 2.039 0 40 DEAB COCCn1c([C@H]2CC(=O)N(C(C)C)C2)nc2ccccc21 9184794 TXFGRWDZFPICJO-ZDUSSCGKSA-N 301.390 2.407 0 40 DEAB CCn1cnnc1CNC(=O)CCSc1ccc(OC)cc1 44942438 KQMDZZPFWWMRPQ-UHFFFAOYSA-N 320.418 2.105 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(OC)ccc2OC)C1 44999886 DAGGDCXERBZUBF-LBPRGKRZSA-N 321.373 2.119 0 40 DEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 58332376 ARFJAJOBDMCIGZ-GFCCVEGCSA-N 324.808 2.422 0 40 DEAB CC(C)NC(=O)CCNC(=O)N[C@@H]1CCCOc2ccccc21 58341594 OAXHYBSBGUMMQG-CQSZACIVSA-N 319.405 2.114 0 40 DEAB COc1ccc(Br)cc1CN1CC[C@H](C(=O)O)C1 62133229 AZRWQBLNQULZSM-VIFPVBQESA-N 314.179 2.364 0 40 DEAB OC[C@@H]1[C@@H]2[C@H]3[C@@H]([C@H]4[C@H]5[C@@H]3[C@H]1[C@@H]1CC[C@@H]([C@H]4O)[C@@H]51)[C@@H]1CCC[C@H]21 104293423 AKYMTYCUHLPLQZ-OKGXRCNCSA-N 300.442 2.396 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(CS(C)(=O)=O)c2)C1 28199674 GQFZPJWJGRFDFO-CHWSQXEVSA-N 309.431 2.349 0 40 DEAB O=c1[nH]c(N2C[C@H]3CCC[C@@H]3C2)nc2c1cnn2-c1ccccc1 95410689 CRWKWTLNHBJAIH-CHWSQXEVSA-N 321.384 2.345 0 40 DEAB CCN(Cc1cccs1)[C@H]1CCN(c2cnn(C)c2)C1=O 95442079 UFPCVAMCHMZNCN-AWEZNQCLSA-N 304.419 2.109 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CCCCN1c1ccc2nccnc2n1 95415019 GZBMTYCCTKRKSE-CYBMUJFWSA-N 313.405 2.298 0 40 DEAB O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1c1ccsc1 45387985 MDEZICOLCHKZIS-GFCCVEGCSA-N 317.418 2.333 0 40 DEAB Cc1c(C(=O)Nc2nc(CC(N)=O)cs2)oc2ccccc12 10908328 SCWSKFXVGUJVIL-UHFFFAOYSA-N 315.354 2.478 0 40 DEAB CC[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)C1CCOCC1 74415038 ZKAFPDXPMISBFO-OAHLLOKOSA-N 319.401 2.322 0 40 DEAB Cc1cccc(C)c1NC(=O)CSc1n[nH]c(=O)n1C1CC1 2626679 OPIFMRNBNUJXSE-UHFFFAOYSA-N 318.402 2.254 0 40 DEAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ncccc1C 47008008 BEHVTBUKKMIFPX-ZDUSSCGKSA-N 301.346 2.254 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)[C@H]1CCCO1 47275011 BUVMYRYXDINNQW-IINYFYTJSA-N 300.358 2.343 0 40 DEAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1cccc2[nH]ccc12 101618626 BBSGGFYOXLATCS-AVGNSLFASA-N 309.369 2.435 0 40 DEAB C[C@H]1NC(=S)N(CCCc2nc3ccccc3s2)C1=O 24060611 WREQASDOHPEYCG-SECBINFHSA-N 305.428 2.334 0 40 DEAB COc1cc(N[C@@H](C)C(=O)N2CCCC2)cc(OC)c1OC 3453859 SOSTUPCAQZQQOD-NSHDSACASA-N 308.378 2.135 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)c1 13170270 MJAQJNNDQVIJAG-LJLILKBBSA-N 319.357 2.040 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1cccc(CNCc2ccco2)c1 63564301 UCLWRCZLEZIHHW-KRWDZBQOSA-N 314.385 2.478 0 40 DEAB CCCCCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580459 MZLNVUPYKLYLST-UHFFFAOYSA-N 324.446 2.319 0 40 DEAB Cc1cc(C)c(CNC(=O)Cc2sc(=S)[nH]c2C)c(=O)[nH]1 9465939 FOQQKBAELPXVQB-UHFFFAOYSA-N 323.443 2.278 0 40 DEAB CCOc1ccc(Cc2c(O)nc3n(c2=O)CCS3)cc1 13624335 XEAFDAGLGALFTJ-UHFFFAOYSA-N 304.371 2.044 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-c2ccco2)[nH]c1=O 65459242 ZCNFKTLBSXOVSP-LBPRGKRZSA-N 316.357 2.134 0 40 DEAB C[C@H](NC(=O)N1CCSCC1)c1ccc2c(c1)CCC(=O)N2 65440105 ROUWVSVAKYFSHE-NSHDSACASA-N 319.430 2.391 0 40 DEAB CC(=O)N[C@@H](CC(=O)Nc1nnc(C)s1)c1ccc(C)cc1 14051242 NCCMEAQNECLXPA-ZDUSSCGKSA-N 318.402 2.361 0 40 DEAB Cc1c(C(=O)N2CCN3CCCC[C@H]3C2)cnn1-c1ccccc1 71839893 RUMKASRLFLXTDQ-KRWDZBQOSA-N 324.428 2.491 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(N(C)CCC)cc1 65575793 IBKFSYDVJYJXLN-CYBMUJFWSA-N 305.422 2.177 0 40 DEAB NC(=O)[C@@H](CNC(=O)CC1CCCC1)Cc1ccc(F)cc1 71841565 LLAFGVCQZRTRII-CQSZACIVSA-N 306.381 2.166 0 40 DEAB CCC[C@@H](C)NC(=O)CCn1cc(Br)ccc1=O 71821473 NQXLPKKTTOWHLA-SNVBAGLBSA-N 315.211 2.306 0 40 DEAB Cc1n[nH]c2ncc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)cc12 71821236 PSHVSORGYQYPNU-ZIAGYGMSSA-N 300.362 2.050 0 40 DEAB CCN(C(=O)c1cccnc1OCCOC)c1cccnc1 71857412 CYKOCUPGNZWOLM-UHFFFAOYSA-N 301.346 2.169 0 40 DEAB Cc1nc(S(=O)(=O)N(CC2CCCCC2)C2CC2)cn1C 66101263 FHCIOCUEYUULHR-UHFFFAOYSA-N 311.451 2.462 0 40 DEAB Cc1cccc(C(C)(C)CNC(=O)N[C@@H](C)C(=O)N(C)C)c1 72046829 IMPRRYRJOQXBHE-ZDUSSCGKSA-N 305.422 2.049 0 40 DEAB CNC1CCN(C(=O)Cc2ccccc2Br)CC1 84748031 DBLQQDZICPSACR-UHFFFAOYSA-N 311.223 2.202 0 40 DEAB CCOc1ccc(NC(=O)Cn2ncc(=O)c3ccccc32)cc1 7025530 NWTHCAXXLBFBGE-UHFFFAOYSA-N 323.352 2.434 0 40 DEAB CCc1noc(CCCC(=O)N[C@@H]2CCC[C@@H]2n2ccnc2)n1 80012944 CWRWJBKCSSITAN-OLZOCXBDSA-N 317.393 2.061 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc(C)cc(N)n2)cc1 7177491 MRDXPSRBVQOUCE-LBPRGKRZSA-N 316.430 2.473 0 40 DEAB Cc1ccc(N2CCN(C(=O)c3cccnc3N)CC2)c(C)c1 67292089 VYUVIPBRGQKBIA-UHFFFAOYSA-N 310.401 2.243 0 40 DEAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)n1 7451987 MXAHHQZRFDICDT-UHFFFAOYSA-N 313.357 2.474 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)[C@@H](N)Cc2ccccc2)CC1 95971122 SRNOCYFMTPHHGO-SJORKVTESA-N 304.434 2.364 0 40 DEAB Cc1cc(NC(=O)CN[C@H](c2ncccc2C)C(C)C)n(C)n1 72296425 GVEDPRXCZXVJAL-INIZCTEOSA-N 315.421 2.357 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)nn1 72298794 KSLRRBBUEWZNAU-NSHDSACASA-N 318.402 2.270 0 40 DEAB Cc1cnn(CCNCc2ccc(C(=O)N3CCCC3)cc2)c1 72253110 YHFLDRXITXBFSI-UHFFFAOYSA-N 312.417 2.217 0 40 DEAB CCCNC(=O)CCC(=O)Nc1ccnn1-c1ccccc1C 72282318 JTDFIBCSZUUNRS-UHFFFAOYSA-N 314.389 2.426 0 40 DEAB NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2cnccc12 97009240 VDVCHSVGABMNFD-IUODEOHRSA-N 319.430 2.031 0 40 DEAB Cc1cccc2nc(CSCc3nnnn3C3CC3)cn12 97083828 ZNVZKKBKIWQRRA-UHFFFAOYSA-N 300.391 2.398 0 40 DEAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccsc1 73771276 UHCJJDVIQUGHOY-UHFFFAOYSA-N 316.430 2.294 0 40 DEAB CCO[C@H](CC)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 69420301 SFBPVXFVIXASHP-GOEBONIOSA-N 320.433 2.453 0 40 DEAB Cc1n[nH]c(C)c1CNCc1ccc(CN2CCOCC2)cc1 97159304 QAFLUQSENJBDQM-UHFFFAOYSA-N 314.433 2.149 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(Cc3ccc(O)cc3)nc2c1 69533658 HEDBCZXXQIDMQM-UHFFFAOYSA-N 310.309 2.006 0 40 DEAB Cc1ccc(-c2nc(CCNC(=O)c3c[nH]nn3)cs2)cc1 69527954 LCYPOWXHZYKPLG-UHFFFAOYSA-N 313.386 2.209 0 40 DEAB Cc1cccc(OCCC(=O)N[C@@H]2CCc3nccn3C2)c1C 97197422 XQQMTOGVHKKMPC-OAHLLOKOSA-N 313.401 2.400 0 40 DEAB O=C(Nc1ccc2c(c1)COC2)N[C@H](CO)Cc1ccccc1 92166517 DLKZLRVTMWAEAW-KRWDZBQOSA-N 312.369 2.442 0 40 DEAB O=C(c1cccc(Cl)c1)N1CCCN(Cc2c[nH]cn2)CC1 92453521 HGUUSHDOXCQQMH-UHFFFAOYSA-N 318.808 2.411 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC[C@H](C)c1ccc(F)c(F)c1 97230760 BRNWWCRBFYQDFM-QWRGUYRKSA-N 305.390 2.481 0 40 DEAB O[C@@H](CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(F)(F)F 97378160 GWLCIGOPPQAPIB-KBPBESRZSA-N 317.307 2.422 0 40 DEAB Cc1cc(CCCC(=O)NCCc2nncn2C)c(C)s1 84599406 BHMYYSAFUXISPH-UHFFFAOYSA-N 306.435 2.175 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)C1=Cc2ccccc2OC1 84579409 GSQWZGSWHUEACT-AEFFLSMTSA-N 307.349 2.237 0 40 DEAB Cn1ccc(NC(=O)/C=C/c2ccc(N3CCCC3=O)cc2)n1 9975837 HYZHCJJJQFYFFD-RMKNXTFCSA-N 310.357 2.199 0 40 DEAB Cc1ccc(C(=O)N2C[C@H](c3ccccc3)O[C@H](C)C2)c(=O)[nH]1 75123682 GVRBRRDEJXELTK-CZUORRHYSA-N 312.369 2.286 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)C[C@@H](O)C1CC1 89612021 UJJNOSGEWITYGZ-IUODEOHRSA-N 306.406 2.477 0 40 DEAB O=C(Cn1cncn1)N1CCS[C@@H](c2ccccc2F)CC1 219117907 COVYUMDLEJNDMQ-CQSZACIVSA-N 320.393 2.124 0 40 DEAB CC(=O)N1CC[C@H](c2nc(C)cc(Nc3cc(C)on3)n2)C1 72382434 LJQIGDOXHAAZBY-LBPRGKRZSA-N 301.350 2.161 0 40 DEAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CC1=CCCCC1)C2 560490118 WXAXNQIOVRFVIG-OAHLLOKOSA-N 317.433 2.048 0 40 DEAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccccc2)cc1OC 72227038 XOHSQHZBOGAIHT-IAGOWNOFSA-N 312.369 2.115 0 40 DEAB COc1cn(C)c(C(=O)Nc2cccc3c2ccn3C)cc1=O 72324952 HERNWHAUGDOAJH-UHFFFAOYSA-N 311.341 2.138 0 40 DEAB biogenic CC(=O)Nc1ccccc1CNC(=O)CC1(O)CCCCC1 73993529 GBHZDRQUHCQTIG-UHFFFAOYSA-N 304.390 2.347 0 40 DEAB O=C(O)CCN1CCN(Cc2csc3ccccc23)CC1 69415304 WRKVISKWSDFOFT-UHFFFAOYSA-N 304.415 2.494 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2NN=C(c3sc(C)nc3C)O2)cc1 41097646 VUOPNPMGVGQLDM-OAHLLOKOSA-N 316.386 2.063 0 40 DEAB FC(F)COCCn1nnc(-c2ccc3ncccc3c2)n1 225445912 FIXDACKDJYOEPA-UHFFFAOYSA-N 305.288 2.170 0 40 DEAB CC(=O)N(C)CC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69457533 OURDHXQFWZKZLU-YPMHNXCESA-N 314.307 2.156 0 40 DEAB COCCCN(C)C(=O)N1CCO[C@@H](c2ccccc2C)C1 195576880 RJOLPVNVIPSQKT-MRXNPFEDSA-N 306.406 2.457 0 40 DEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 227161603 XVWAPRNGKOUCDD-AOOOYVTPSA-N 324.402 2.096 0 40 DEAB C[C@H](CNc1ccc2nnc(C3CC3)n2n1)CN1CCCC1 195575071 DRCMIGDPLDVZDP-GFCCVEGCSA-N 300.410 2.146 0 40 DEAB C[C@@H](N)[C@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 195542936 LNJUSYOWPAMVHY-SFYZADRCSA-N 304.287 2.442 0 40 DEAB Cc1cccnc1NC(=O)C1CCN([C@@H]2CCCC[C@H]2O)CC1 95444972 COBVDERTKUVPGQ-HZPDHXFCSA-N 317.433 2.344 0 40 DEAB C[C@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1cncc(F)c1 331559802 OHTBDCDUNGXQKR-NWDGAFQWSA-N 317.368 2.214 0 40 DEAB O=C(C1CC=CC1)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1 96239136 LKSOLGUYOWEZNI-GOSISDBHSA-N 311.385 2.003 0 40 DEAB COc1ccc(C)nc1NC(=O)CCc1c(C)nn(C)c1C 96445651 HYEAPDWCCRMSHO-UHFFFAOYSA-N 302.378 2.320 0 40 DEAB C[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)c1ccc(-c2cccnc2)cc1 96446743 DGYNTHBRFMYIRY-GUYCJALGSA-N 323.396 2.404 0 40 DEAB COc1ccc2nc(C)cc(C(=O)N[C@H]3CCCOC3)c2c1 96422342 ZPBVOYCNJPBMGZ-LBPRGKRZSA-N 300.358 2.461 0 40 DEAB Cc1nc(CN2CC[C@]3(C[C@@H]3C(=O)N3CCCC3)C2)cs1 96075004 YJEKJLHXTQSYJO-ZBFHGGJFSA-N 305.447 2.286 0 40 DEAB CCOCCCC(=O)N[C@H]1CCN(c2ccc(C)cc2)C1=O 96423453 LFOSFWIGGCKANM-HNNXBMFYSA-N 304.390 2.033 0 40 DEAB CC(=O)N1CC[C@H]2OCCC[C@@]2(COCc2ccccn2)C1 96040260 NUXFRALSEXWTFP-SJORKVTESA-N 304.390 2.016 0 40 DEAB Cc1ccnc([C@@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)n1 257321570 WCEZLGXMIFDWCF-OAHLLOKOSA-N 324.432 2.165 0 40 DEAB COCc1cccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1 257336130 YNIODLGJFPWSHD-WMZOPIPTSA-N 319.401 2.243 0 40 DEAB CC(=O)N1CCN(Cc2ccnc(C)n2)C[C@@H]1c1ccccc1 257230972 GERUZERWPAIQKT-GOSISDBHSA-N 310.401 2.190 0 40 DEAB Cc1cccc(-c2[nH]ncc2CN[C@H]2CCc3ncnn3C2)c1 69976205 ORCBIPLIKSHRLS-HNNXBMFYSA-N 308.389 2.081 0 40 DEAB COCCC(=O)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 257273635 NHMYGYZCSYRZHO-KRWDZBQOSA-N 317.433 2.377 0 40 DEAB CC(=O)N1CCC(c2cnc(-c3c(C)nn(C)c3C)cn2)CC1 257267423 MHGQNKVCXUBGEE-UHFFFAOYSA-N 313.405 2.220 0 40 DEAB CCCN1CCC(NS(=O)(=O)Cc2ccc(F)cc2)CC1 55508752 WNBYUYLYQBXLJQ-UHFFFAOYSA-N 314.426 2.120 0 40 DEAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CCC(N2CCCCC2)CC1 83888552 IIXUUNOIYHJLBG-DOTOQJQBSA-N 324.465 2.047 0 40 DEAB O=C(O)C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 91293515 VWOVLEJQELMRIJ-HDMKULJXSA-N 315.778 2.117 0 40 DEAB CCN(CC)CCOCCN(CC(=O)OC)Cc1ccccc1 96010191 BSBFRBYRVCDKJW-UHFFFAOYSA-N 322.449 2.020 0 40 DEAB O=c1cc2c(nn1CC1CCN(C3CCCC3)CC1)CCC2 585501573 ITFSQENCGJDDBT-UHFFFAOYSA-N 301.434 2.387 0 40 DEAB Cn1cnn(Cc2ccc(Cl)cc2Br)c1=O 95976016 DMCPXKAGUKVYPQ-UHFFFAOYSA-N 302.559 2.046 0 40 DEAB Cn1cnc(CN2C[C@@H](c3ccccc3)[C@]3(CCCC(=O)N3)C2)c1 1615123548 SYCBIMQQGXUXCA-HKUYNNGSSA-N 324.428 2.058 0 40 DEAB Cc1ccc(CNC(=O)CSc2nc(C)c(C)c(=O)[nH]2)cc1 5155232 XFIQYBUCQZJCKD-UHFFFAOYSA-N 317.414 2.104 0 40 DEAB CCOC(=O)[C@H](C)n1nc(CC)n2c(cc3oc(C)cc32)c1=O 12115527 IOCBBKVXBXSRFL-JTQLQIEISA-N 317.345 2.237 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C)c2)c1 15351444 UXJOFYXQVGAVKE-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB CC(C)COC(=O)[C@H](N)[C@H](C(=O)OCC(C)C)c1ccccc1 19203257 BOJVLUPCUOHWSK-HZPDHXFCSA-N 321.417 2.496 0 40 DEAB Cc1nc(C2CCN(Cc3ccccc3)CC2)ncc1C(N)=O 19753579 OOXNGTIYUYGBBO-UHFFFAOYSA-N 310.401 2.264 0 40 DEAB CC(=O)NC1CCN(c2nc(-c3cccnc3)cs2)CC1 206985175 SHHZDXNQGUOLRR-UHFFFAOYSA-N 302.403 2.310 0 40 DEAB O=C(NC1CC1)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 6988593 MOZRFAYVOZAVCK-OAHLLOKOSA-N 300.383 2.432 0 40 DEAB c1cnc(N2CCCC2)c(CNc2cc(-n3cccn3)ncn2)c1 1888890778 SXAAKQJMSLAWTJ-UHFFFAOYSA-N 321.388 2.270 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(CCN(C)C3=O)C2)c1 1614946224 LOQAIGUGEUAVIL-SFHVURJKSA-N 300.402 2.388 0 40 DEAB COc1ccccc1C(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522741 YYBPKZGSTZKGSJ-CQSZACIVSA-N 320.458 2.349 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)n2nnnc2N1 15080053 VBDOCXDPYQOWPO-CYBMUJFWSA-N 317.324 2.053 0 40 DEAB CSCC[C@@H](O)CNC(=O)Cc1c(F)cccc1Cl 1775967579 XBPOSUAYBHZAKM-SECBINFHSA-N 305.802 2.252 0 40 DEAB COc1ccccc1C(=O)NCc1nccnc1-c1cccnc1 585150393 JPLUYQHJZXMAEA-UHFFFAOYSA-N 320.352 2.477 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)O 13348931 YLEZKGBWXNVZQK-UHFFFAOYSA-N 317.366 2.445 0 40 DEAB CC[C@](C)(CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1 40092733 REJDNHRJQJGULC-QGZVFWFLSA-N 322.474 2.468 0 40 DEAB COC(=O)C[C@@H](NC(=O)[C@H](C)OCC(C)C)c1ccccc1 40541461 QRCDTWRBHGJZMP-DZGCQCFKSA-N 307.390 2.468 0 40 DEAB CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)CC1 20608746 HVEAWPJDXZEWBB-CYBMUJFWSA-N 306.406 2.063 0 40 DEAB C[C@@H]1CCCCN1C(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102347873 IPJSWVCJMACWHG-SNVBAGLBSA-N 317.414 2.237 0 40 DEAB CCCc1n[nH]c(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)n1 53683922 ZTIBJTVSKCRXMO-NEPJUHHUSA-N 324.450 2.019 0 40 DEAB COc1ccc(CN2CCCN(C(=O)[C@@H](C)SC)CC2)cc1 43008001 HQASCXQOVCBXRO-CQSZACIVSA-N 322.474 2.481 0 40 DEAB COc1ccc(-n2ccc(C(=O)NCCCOC(C)C)n2)cc1 55141189 SMASTCQXFZQZPX-UHFFFAOYSA-N 317.389 2.426 0 40 DEAB Cc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)c2cccnc12 106049398 VSIXSEOPLAHPIU-OLZOCXBDSA-N 320.414 2.341 0 40 DEAB O=C(NCCc1ccccc1)[C@H]1CCCN(c2ncccn2)C1 1342031 CHKHOIRNIICLAK-INIZCTEOSA-N 310.401 2.052 0 40 DEAB CCN(CC)C(=O)CSc1nnc(Cc2ccccc2)n1C 779165 UDFJAUAONJQMLI-UHFFFAOYSA-N 318.446 2.366 0 40 DEAB CCOCCN1CCN([C@H](C)c2nc(C3CC3)no2)C[C@@H]1C 106777036 YMGUYZLBIHHLAM-QWHCGFSZSA-N 308.426 2.051 0 40 DEAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 1512325 PVFFBAVPFOGOGH-UHFFFAOYSA-N 310.309 2.173 0 40 DEAB Cc1nc2ccccc2nc1NS(=O)(=O)c1ccc(N)cc1 1683295 FSJDVWOGYWNVEU-UHFFFAOYSA-N 314.370 2.321 0 40 DEAB Cc1ccc2c(c1)CC[C@H]2NC(=O)c1ccnc(-n2cncn2)c1 55661852 IQJIVFTZYXYRRB-MRXNPFEDSA-N 319.368 2.388 0 40 DEAB CCOC(=O)CN1CCC[C@@H](OC(=O)C[C@H](C)n2cccc2)C1 106923344 RAWANYGOBYIVPZ-LSDHHAIUSA-N 322.405 2.010 0 40 DEAB CC(C)[C@@](N)(CC[P@](=O)(O)CCc1ccccc1)C(=O)O 1762444 GABJTPSVZVMCCK-HNNXBMFYSA-N 313.334 2.328 0 40 DEAB biogenic CCOCCO[C@@H](C)C(=O)Nc1nc2ccccc2n1CC 57441620 AADSPUNDTQKATN-LBPRGKRZSA-N 305.378 2.436 0 40 DEAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1cccc2ccccc12 3308029 SUPKUCCDBFFUPO-UHFFFAOYSA-N 322.320 2.269 0 40 DEAB CC(C)(C)n1nc(C(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1C1CC1 95991976 LVQGYHSYIXTXBM-NEPJUHHUSA-N 319.405 2.499 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)[C@H]1C[C@@H]2CC[C@@H]1C2 101912360 CNQDPAXAZLCNGI-RGCMKSIDSA-N 316.401 2.105 0 40 DEAB CCN(C(=O)CCn1nnc2ccccc2c1=O)c1ccccc1 27445741 YCIAKBNLKRFWQI-UHFFFAOYSA-N 322.368 2.235 0 40 DEAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)O 3334976 WNUCWHKTZGWVGV-UHFFFAOYSA-N 311.293 2.190 0 40 DEAB O=C(NC1CCCCC1)N1CCN(C(=O)c2ccoc2)CC1 44896464 KILPUAIMXUHXEE-UHFFFAOYSA-N 305.378 2.080 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101988789 VNWXHMFOBBEDBR-KQURDKLPSA-N 311.451 2.140 0 40 DEAB O=C(COc1nc(-c2ccccc2Cl)no1)NCC1CC1 58290750 PSMKNMPYOBMVAP-UHFFFAOYSA-N 307.737 2.295 0 40 DEAB CC1=CC[C@@H]2C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 106709499 JNODLZWVYHTQEH-STQMWFEESA-N 318.760 2.326 0 40 DEAB O=C(O)C1=C[C@@H](c2ccccn2)n2nc(-c3ccccc3)nc2N1 102335853 AYVKAIDELPKURO-AWEZNQCLSA-N 319.324 2.324 0 40 DEAB CO[C@H]1CC[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)CC1 100160229 FTINHGAZJYBGHI-FZNQNYSPSA-N 318.417 2.097 0 40 DEAB Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2CCC3)cc1 29737324 PNQLOTZEZUHWJY-UHFFFAOYSA-N 311.385 2.142 0 40 DEAB CCOc1ccc(CN(C)C(=O)N[C@@H](C)c2nncn2C)cc1 46963927 GAKFZTDKNZVLBQ-LBPRGKRZSA-N 317.393 2.116 0 40 DEAB CN(C)S(=O)(=O)c1ccc(OCCNc2ccccc2)cc1 48366755 LVIVWDTWRDLONO-UHFFFAOYSA-N 320.414 2.428 0 40 DEAB CCCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 13041631 UUEJIKRLCKUYRT-UHFFFAOYSA-N 324.446 2.391 0 40 DEAB COc1cc(C=O)cc(Cl)c1OCC(=O)NCc1ccco1 6085630 LEJYSVICBHMXFD-UHFFFAOYSA-N 323.732 2.449 0 40 DEAB CCCCS(=O)(=O)N(C)C(=O)[C@H]1C[C@@]12CCc1ccccc12 84746728 BWBNGCAYHRSVPM-NVXWUHKLSA-N 321.442 2.479 0 40 DEAB O=C(CCc1ccsc1)N1CCN(C[C@@H]2CCCO2)CC1 23624078 FCXDIWOVRPITLA-HNNXBMFYSA-N 308.447 2.004 0 40 DEAB COc1ccc(-n2cnnn2)c(NC(=O)c2ccccc2F)c1 6468204 JGWSEELZQZMDLP-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB Cc1ccc(C)c(OC[C@@H](O)CNC2CCC(O)CC2)c1C 6586471 GBSBACJVGRATJB-JCYILVPMSA-N 307.434 2.245 0 40 DEAB Cc1noc(C)c1C(=O)O[C@H](C(=O)N(C)C)c1ccccc1 5505741 FZWWIFYKYRCCEE-AWEZNQCLSA-N 302.330 2.278 0 40 DEAB O=C(O)CCCC(=O)NCc1cccc(Br)c1 4715481 HDQNCIYOTQIECT-UHFFFAOYSA-N 300.152 2.320 0 40 DEAB O=C(CCC(=O)NCc1ccco1)NCCc1ccccc1 4700331 GUBSJVNWNNRJDK-UHFFFAOYSA-N 300.358 2.035 0 40 DEAB COC(=O)c1sc(NC(=O)c2cccc(OC)c2)nc1C 5724596 CKMAYOFVRMLNTB-UHFFFAOYSA-N 306.343 2.499 0 40 DEAB Cc1ccc(CN(C(=O)c2ccco2)[C@@H]2CCS(=O)(=O)C2)o1 6810300 LOBDRHZZKZZBNP-GFCCVEGCSA-N 323.370 2.011 0 40 DEAB COc1ccc(CNCCN(C)C(=O)OC(C)(C)C)cc1O 71855408 YUOHFUGIZHUMDL-UHFFFAOYSA-N 310.394 2.357 0 40 DEAB Cc1ncsc1C(=O)N1CCCN(Cc2cccnc2)CC1 71824843 IKYCNXBKUFXUJJ-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB Cc1c([C@@H](C)NC(=O)CSCC(N)=O)oc2ccc(F)cc12 71853906 TWXZMGFCKNCTRW-SECBINFHSA-N 324.377 2.276 0 40 DEAB CC(C)CCO[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 81606779 KUIORJHRSISSMZ-JKSUJKDBSA-N 322.449 2.051 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H](C)N1 70076421 MYSLJPHMTCTLDJ-RKDXNWHRSA-N 315.186 2.411 0 40 DEAB Cc1nc(Cl)cc(Oc2cccc(C(=O)NC[C@H](C)O)c2)n1 71911545 ODJPHOSAWVFVFF-VIFPVBQESA-N 321.764 2.341 0 40 DEAB COC(=O)N1CCC[C@H](C(=O)Nc2cccc(CN(C)C)c2)C1 69459036 CONYTFFGKZONBU-AWEZNQCLSA-N 319.405 2.165 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1cccc(F)c1F 69518614 LLCLSLVSUSBGGI-CMPLNLGQSA-N 310.344 2.010 0 40 DEAB Cc1nn(CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)c(C)c1Cl 69571434 WLCLFKBCXVPOBR-KGLIPLIRSA-N 324.856 2.239 0 40 DEAB CCOC(=O)C(C)(C)N(C)CC(=O)Nc1ccccc1C(C)=O 69696555 BDKHCAICJHOMEJ-UHFFFAOYSA-N 320.389 2.101 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)Cn1cccc(C)c1=O 69633284 MWOGESDWMMYUCD-ZDUSSCGKSA-N 300.358 2.043 0 40 DEAB Cc1cc(C[S@@](=O)CC(=O)N[C@@H](C)c2ccccc2)no1 69701800 AYOJMMJVKNMBOV-QKVFXAPYSA-N 306.387 2.109 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N[C@@H]1CCC[C@@H]1CO 73751558 LMDNGRPPXGPDNR-ZWNOBZJWSA-N 312.797 2.309 0 40 DEAB Cc1oc(C)c(C(=O)N2CCCN(c3cccnn3)CC2)c1C 69947108 BRYZMNBETDDYRG-UHFFFAOYSA-N 314.389 2.347 0 40 DEAB Cc1cc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)nn1C 95974389 BYBIXNNWKYWFLE-BNOWGMLFSA-N 304.394 2.198 0 40 DEAB Cc1ccc(C)n1[C@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1 72279903 HIVYNPQOZOIPDJ-CQSZACIVSA-N 315.421 2.423 0 40 DEAB CCc1c(NC(=O)N2CCCN(C)CC2)cnn1CC(C)C 97052299 MIXAZBRITKDENJ-UHFFFAOYSA-N 307.442 2.271 0 40 DEAB CC(C)n1cnc([C@@H]2CN(C)C[C@@]23CCN(CC2CC2)C3=O)c1 306142148 WRFXBDXVSCABTR-YJBOKZPZSA-N 316.449 2.122 0 40 DEAB NC(=O)c1ccnc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c1 84583285 NEKVRZOMVDZHBW-CYBMUJFWSA-N 321.384 2.441 0 40 DEAB C/C(=C\c1ccc(Cl)cc1)C(=O)NC[C@H]1CN(C)CCN1C 95442861 JRERFFKXMBOSBJ-ISBHARSQSA-N 321.852 2.105 0 40 DEAB CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(CC(=O)O)C1 79413768 HUEJNERPMBKBAP-HNNXBMFYSA-N 320.389 2.194 0 40 DEAB CN(Cc1nc2ccccc2s1)CC1CCN(CCO)CC1 75603055 MOHXEKAPIAZIHF-UHFFFAOYSA-N 319.474 2.432 0 40 DEAB C[C@H](C(=O)N1CC[C@@H](c2nn[nH]n2)C1)c1cc2ccccc2o1 1548766006 UROUHNFPOWRJGQ-CMPLNLGQSA-N 311.345 2.066 0 40 DEAB Cc1ccc(C)c(Nc2nc(NCCO)nc3c2cnn3C)c1 27666408 CZWSLRVVCGFTDI-UHFFFAOYSA-N 312.377 2.128 0 40 DEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OC1CCCCC1 70737934 VUFQQQFJZFBPMH-ZIAGYGMSSA-N 307.390 2.428 0 40 DEAB c1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)ccn1 125574530 DBMVOIJMPJIXNI-CQSZACIVSA-N 300.362 2.448 0 40 DEAB COc1cccc([C@H]2[C@@H](N)C(=O)N2Cc2ccc(F)cc2)c1 72228217 IEGPLOSUACSWNI-CVEARBPZSA-N 300.333 2.245 0 40 DEAB CN1CCN(c2ccc3nc(-c4ccc(N)c(N)c4)[nH]c3c2)CC1 38287093 QLNHNHONCDMJOL-UHFFFAOYSA-N 322.416 2.146 0 40 DEAB Cn1cc(CN2CC[C@@H](c3nc(-c4ccccc4)no3)C2)cn1 72369836 VSNLVCJBVINZTJ-OAHLLOKOSA-N 309.373 2.460 0 40 DEAB CC1CCC2(CC1)CC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O 189374413 QNHDBVLTXROKFY-QUNCOHTASA-N 307.312 2.255 0 40 DEAB COc1cc(C(=O)N2CCOCC2)nc2c(C)cc(F)cc12 72328782 LUCSSZYZTQDXQH-UHFFFAOYSA-N 304.321 2.163 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2F)C1 45952676 BRAQMRWLHYRQDB-ZETCQYMHSA-N 316.126 2.114 0 40 DEAB Fc1ccc(Cc2nnc3sc(-c4ccn[nH]4)nn23)cc1 44901107 DKYADSOPIPWSJZ-UHFFFAOYSA-N 300.322 2.306 0 40 DEAB O=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1cccs1 225133737 MCOAVWSFEXLDRY-UHFFFAOYSA-N 315.347 2.167 0 40 DEAB O=C(NC1CCN(c2cc(C3CC3)[nH]n2)CC1)c1ccoc1 225754520 UANPFGFHDMUEEB-UHFFFAOYSA-N 300.362 2.279 0 40 DEAB CC[C@]1(C)CN(C(=O)NCCCc2c(C)noc2C)CCO1 195574875 XWDSPYGNWXCYMK-MRXNPFEDSA-N 309.410 2.435 0 40 DEAB O=C(CCn1cnc2ccccc2c1=O)N1CCC(=C2CC2)CC1 238814483 BCSHBTLDTIIYEY-UHFFFAOYSA-N 323.396 2.499 0 40 DEAB COc1ccccc1-c1cc(C(=O)Nc2n[nH]c(C3CC3)n2)n[nH]1 95472582 NIFSIATZPOHTHV-UHFFFAOYSA-N 324.344 2.333 0 40 DEAB COC[C@@H]1CN(Cc2ccncc2)Cc2nn(CC3CC3)cc21 96060462 WSCIETRYNRLQHV-INIZCTEOSA-N 312.417 2.434 0 40 DEAB O=C(OCCn1cncn1)c1c[nH]nc1-c1ccc(Cl)cc1 97380187 ILGWBTAOOGPXDC-UHFFFAOYSA-N 317.736 2.179 0 40 DEAB C[C@H](CCc1cccc(F)c1)NC[C@@](C)(O)c1cnn(C)c1 96478295 NIRZWNMVRXCWRA-CXAGYDPISA-N 305.397 2.378 0 40 DEAB O=C(C1CCCCC1)N1C[C@@H]2CN(CC3CC3)CCO[C@@H]2C1 96208601 HNCFWKUSPQNWQO-DLBZAZTESA-N 306.450 2.136 0 40 DEAB C[C@H](CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)n1cccc1 96408410 GTKOXJSARFQXBG-OLZOCXBDSA-N 323.462 2.255 0 40 DEAB COc1ccccc1S(=O)(=O)NCc1ncc(C(C)(C)C)o1 96446652 DYCUJTYJXKRVMY-UHFFFAOYSA-N 324.402 2.459 0 40 DEAB CCOC(=O)c1cc(C)nn1CCC(=O)Nc1ccccc1 95438783 WSOGMMUPSNFCCT-UHFFFAOYSA-N 301.346 2.397 0 40 DEAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nc[nH]n1 95475313 WBXBHGBUYNWCPF-UHFFFAOYSA-N 302.725 2.111 0 40 DEAB CC12CN3CC(C)(CN(C1)C3c1cnc3ccccc3c1)C2O 95480510 ZWHBTVDPSNFRBX-UHFFFAOYSA-N 309.413 2.252 0 40 DEAB CC(C)N1Cc2cncn2[C@H](C(=O)NCCc2cccs2)C1 247962402 ABGWTURJQJRUOL-HNNXBMFYSA-N 318.446 2.069 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H]1O 257323305 WJODJNYJZVTSIL-BPLDGKMQSA-N 322.792 2.480 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)n1 257219873 DIOKRNKGQNOUIS-VIFPVBQESA-N 306.753 2.102 0 40 DEAB C[C@H]1CCN(C[C@H](O)CN2CCS[C@H](C)CC2)CCS1 252519019 ARPAVGMBSCVJNS-QDMKHBRRSA-N 318.552 2.002 0 40 DEAB O=C(Cn1cccn1)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257284408 PCOQPWFNPKTFSB-QLPKVWCKSA-N 311.385 2.199 0 40 DEAB C[C@H](C(=O)NCc1csc(=O)[nH]1)[C@H]1OCCc2sccc21 294840754 FHUVDTAQIUXLME-QPUJVOFHSA-N 324.427 2.064 0 40 DEAB COc1ncncc1NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1 296675482 RRMFAACTKGIQBZ-ZDEQEGDKSA-N 300.362 2.161 0 40 DEAB CCN(CC)CC[C@@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096351 JTFWXMAZTUAESI-OAHLLOKOSA-N 304.438 2.298 0 40 DEAB CO[C@@]1(COc2cccc(C)c2)CCN(Cc2cncnc2)C1 585274364 JRSYOXIEZKCATG-SFHVURJKSA-N 313.401 2.455 0 40 DEAB Cn1cccc(C(=O)N2CC3(CC(c4ccccc4)C3)C2)c1=O 1776000803 KXCAYLBEYBRZRD-UHFFFAOYSA-N 308.381 2.405 0 40 DEAB CCCc1cc(=O)[nH]c(SCc2csc(NC(C)=O)n2)n1 12622045 WTJLPHCOHNMAEX-UHFFFAOYSA-N 324.431 2.430 0 40 DEAB Cc1cc(-c2cc3nc(C)c(C)c(NC[C@H](C)O)n3n2)no1 13225849 UBCLIGDMAZFRSD-QMMMGPOBSA-N 301.350 2.102 0 40 DEAB O[C@@H]1C[C@@H](c2nc(-c3cccnc3)no2)N(Cc2ccccc2)C1 15674484 ZFGHDHZWQFQSBU-CVEARBPZSA-N 322.368 2.440 0 40 DEAB biogenic,in-vitro O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCS(=O)(=O)C1 4498557 PNFQCBCIJWCSEV-MRVPVSSYSA-N 323.201 2.302 0 40 DEAB Cc1ccc(C2(CNC(=O)N3C[C@H](O)C[C@@H]3C)CC2)c(C)c1 579562900 IFTIFBKSLJVHBC-LSDHHAIUSA-N 302.418 2.500 0 40 DEAB CC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1c(F)cc(F)cc1F 31821 RGNOXUJJWODZFC-MWLCHTKSSA-N 305.277 2.151 0 40 DEAB CN1C(=O)c2cccc(NC(=O)CCc3ccccc3)c2C1=O 4263823 GBWHLSMVDJBONX-UHFFFAOYSA-N 308.337 2.484 0 40 DEAB O=c1[nH]c(=S)c2c(n1-c1ccc3c(c1)OCCO3)CCC2 10509836 DSNKVOJDPNNMSG-UHFFFAOYSA-N 302.355 2.155 0 40 DEAB Cc1ccc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)cc1 51223 YUHVSUCWWJDOTN-UONOGXRCSA-N 320.389 2.304 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1/C=C/c1ccccc1 20112979 YHXCGSKXQOACAT-SWVVOQHBSA-N 314.381 2.450 0 40 DEAB biogenic O=C(NC[C@@H](O)COc1ccccc1)Nc1ccc(F)cc1 31088472 IZTKGNSLNBLRBD-CQSZACIVSA-N 304.321 2.387 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)C[C@H](C)O1 40486037 MVTLMDTVLPMDPC-UWVGGRQHSA-N 318.295 2.272 0 40 DEAB CC(=O)CN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 40538744 XVQLGBMTGIQNHK-ZDUSSCGKSA-N 314.263 2.061 0 40 DEAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cn1 32482429 KQMBODZKLFWCOK-CQSZACIVSA-N 317.389 2.495 0 40 DEAB CCOC(=O)Cc1cs/c(=N\c2ccc(Cl)cn2)n1C 101731026 IALHDBFMTGRIGF-SSZFMOIBSA-N 311.794 2.473 0 40 DEAB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccccn1 101775418 KISIDQKFPIDTHX-HNNXBMFYSA-N 308.341 2.055 0 40 DEAB O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1CCCn1ccnc1 102193243 KARHQFUJADFRKY-CQSZACIVSA-N 315.348 2.030 0 40 DEAB CCCn1nc(C(=O)Nc2cccc3ncccc23)ccc1=O 32750087 NWSCTIIUAUZVGI-UHFFFAOYSA-N 308.341 2.454 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 41132025 VWNIGNWYMSLIHH-XNPJLODASA-N 313.184 2.340 0 40 DEAB Cc1cc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nc(C)n1 52471142 FKZCZALUQMJAEB-UHFFFAOYSA-N 319.796 2.037 0 40 DEAB CCOC(=O)N[C@H](C(=O)NCc1ccccc1OC)C(C)C 32911670 FSGXOPNWXRNZLG-AWEZNQCLSA-N 308.378 2.082 0 40 DEAB CC(C)Oc1ccc(C(=O)Nc2nn3cnnc3s2)cc1 32999777 OMIVTPOMEOKCNK-UHFFFAOYSA-N 303.347 2.225 0 40 DEAB CCONC(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 22874760 DUZZSEFUHPQGRK-GNFNDJEDSA-N 322.449 2.411 0 40 DEAB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)no1 120950 HAVRDIHRFKGUAC-UHFFFAOYSA-N 323.374 2.378 0 40 DEAB CCNC(=O)NCc1ccc(OCCOc2ccccc2)nc1 55329189 BPFLAPDULWPJKI-UHFFFAOYSA-N 315.373 2.359 0 40 DEAB Cc1cc([C@@](C)(O)CNc2nc3ccccc3c(=O)[nH]2)c(C)o1 78308162 TYZZMRJYJTUUKE-KRWDZBQOSA-N 313.357 2.453 0 40 DEAB COC(=O)c1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C 1465705 BAJYIOPMPPBPEQ-UHFFFAOYSA-N 317.370 2.283 0 40 DEAB C[C@@H](C(=O)N1[C@@H](C)CCC[C@H]1C)N1CCC2(CC1)OCCO2 107312666 DIZYSUQVDMSXTP-ZNMIVQPWSA-N 310.438 2.003 0 40 DEAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3 4127920 CDGFTOARGCEWKI-QWQRMKEZSA-N 301.386 2.268 0 40 DEAB CCS(=O)(=O)c1ccc(NC(=O)NCc2cccnc2)cc1 43953307 VJYYLWOFRNPEOC-UHFFFAOYSA-N 319.386 2.197 0 40 DEAB Cc1cc(=O)oc2cc(NC(=O)NC[C@H]3CCCN3C)ccc12 58003915 DZFTXTVUHNSFBV-CYBMUJFWSA-N 315.373 2.317 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=S)N[C@H]1C[C@H]2CC[C@@H]1C2 8883896 HUJYLSHMKQOJDV-XQQFMLRXSA-N 311.495 2.286 0 40 DEAB CCOC(=O)CCNC(=O)[C@H](C)Sc1ccc(OC)cc1 58265031 UPFMVPHUJLKTCU-NSHDSACASA-N 311.403 2.245 0 40 DEAB C[C@@H](OC(=O)c1cnn2cccnc12)c1ccc2c(c1)OCO2 58289802 RNHZNWCIENJQFP-SNVBAGLBSA-N 311.297 2.376 0 40 DEAB C[S@@](=O)c1ccc(C(=O)N2CCOc3ccccc32)cc1 44933764 FKTITSKCFRLQLF-NRFANRHFSA-N 301.367 2.463 0 40 DEAB COc1cc(CN[C@@H](C)c2nnc3n2CCC3)cc(OC)c1 58773273 QYAYNMWNMARUCQ-NSHDSACASA-N 302.378 2.092 0 40 DEAB O=C(NCc1ccccn1)C(=O)Nc1ccccc1C(F)(F)F 9859808 UEMLLMQFJQKVGV-UHFFFAOYSA-N 323.274 2.355 0 40 DEAB CCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 2498373 IASJEIIZUYANBY-UHFFFAOYSA-N 301.371 2.357 0 40 DEAB CCCn1nnnc1NC(=O)COc1ccc(Cl)cc1C 2592664 HQTACUOLGXUCFB-UHFFFAOYSA-N 309.757 2.062 0 40 DEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cn2ccccc2n1 37132495 KWHUFFOKVFBMJL-SJKOYZFVSA-N 323.352 2.179 0 40 DEAB C[C@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccccc1 47121150 JTHFHIINQVCEPG-CQSZACIVSA-N 312.417 2.402 0 40 DEAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)no1 12436196 GEPVVNBPWXGQFD-UHFFFAOYSA-N 315.329 2.349 0 40 DEAB O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)Nc1ccccc1 12889850 QFZLTURSGWFOQL-UHFFFAOYSA-N 313.288 2.281 0 40 DEAB CC[C@@H](C)NC(=O)CCNCc1c(C)nc2sc(C)cn12 38014035 KLMOJJIMSNVZNT-SNVBAGLBSA-N 308.451 2.407 0 40 DEAB COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)o1 3573583 ONHXVIFSZBZPFU-UHFFFAOYSA-N 323.370 2.195 0 40 DEAB O=C(NCCCN1CCCC1=O)c1cc2ccccc2cc1O 22625831 ALKUKLDBDNFAOU-UHFFFAOYSA-N 312.369 2.288 0 40 DEAB CCc1nnc2ccc(S(=O)(=O)Nc3cccc(F)c3)cn12 65199124 RLDNRGDYHGGCCD-UHFFFAOYSA-N 320.349 2.232 0 40 DEAB Cc1ccc(C)c(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 5292880 WRLFCUDTTSLKEE-UHFFFAOYSA-N 300.358 2.351 0 40 DEAB Cc1ccc2nc(N3CCc4ccccc4C3)c(C=O)c(=O)n2c1 5348145 JQGRDLOLXBYNKM-UHFFFAOYSA-N 319.364 2.378 0 40 DEAB O[C@H](COc1ccccc1)CN1CCC(c2cn[nH]c2)CC1 65590173 MWWLDMXWYHUCII-INIZCTEOSA-N 301.390 2.029 0 40 DEAB CCC[C@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 14199973 VOANMUMISGISCO-ZDUSSCGKSA-N 304.390 2.497 0 40 DEAB C[C@@H]1CCCCN1CCCNc1nnnn1-c1ccccc1 14118464 FAEOSWMOLUAPOG-CQSZACIVSA-N 300.410 2.339 0 40 DEAB COc1c(Cl)cc(Cl)cc1CNC[C@H]1CN(C)CCO1 65611157 DTEFQTOAAVYSIG-LBPRGKRZSA-N 319.232 2.422 0 40 DEAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)N1CCOCC1)CC2 6623969 PSPRNBMCNGELSQ-LBPRGKRZSA-N 320.389 2.075 0 40 DEAB biogenic Cc1ccc(N2C(=O)C[C@H](Nc3ccc4c(c3)OCO4)C2=O)cc1 6820122 KAVRWHMGOLGMLU-AWEZNQCLSA-N 324.336 2.468 0 40 DEAB CCC(=O)OCC(=O)Nc1ccc(Br)cc1F 4966443 MEUAQXUGKQQOPA-UHFFFAOYSA-N 304.115 2.480 0 40 DEAB C[C@H](Sc1ncccn1)C(=O)NC(=O)NC1CCCCC1 6912758 NEEUUERYRZGRJG-JTQLQIEISA-N 308.407 2.116 0 40 DEAB CN1CCN(C(=O)c2ccc(COCC(F)(F)F)cc2)CC1 9553887 CPMWWFDRQWXLNP-UHFFFAOYSA-N 316.323 2.153 0 40 DEAB CCc1nnsc1C(=O)OCc1ccc(C(=O)OC)cc1 7438677 LYQSGFQMJNXUCX-UHFFFAOYSA-N 306.343 2.244 0 40 DEAB O[C@]1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCOC1 90848614 GWJBMSCKNXVHEJ-KRWDZBQOSA-N 324.852 2.045 0 40 DEAB O=C(CCC(=O)N1CCOCC1)Nc1ccc(F)c(Cl)c1 8035632 SOXUWJKNOXHMIJ-UHFFFAOYSA-N 314.744 2.057 0 40 DEAB COc1cc(CCNC(=O)[C@@H](O)c2ccccc2)ccc1F 95986241 FGLLVFDIJXNODK-INIZCTEOSA-N 303.333 2.227 0 40 DEAB Cc1cc(C)n(C2CN(CC(=O)NCCC3=CCCCC3)C2)n1 70017777 WTEDCSSTYLJOQL-UHFFFAOYSA-N 316.449 2.363 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)CCn2nc(C)cc2C)c1 70015394 BJULUSYFUPMSCE-MRXNPFEDSA-N 315.421 2.086 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)N)C2)c(Cl)c1 70173596 PHWIAOYUBOJFAN-VXGBXAGGSA-N 316.854 2.396 0 40 DEAB NC(=O)[C@H]1CCN(c2nc(-c3cccnc3)nc3ccccc23)C1 71955453 BYXSMDWDKXMDTB-ZDUSSCGKSA-N 319.368 2.003 0 40 DEAB O=C(CCc1cscn1)N1CCCC[C@H]1Cn1cccn1 69970244 YNCWJGXXOBVOBN-AWEZNQCLSA-N 304.419 2.354 0 40 DEAB CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 409331654 FAAPUFFFDFGEAP-YRNVUSSQSA-N 307.327 2.206 0 40 DEAB Cc1ccc(CNC(=O)NC[C@H](O)C2CC2)c(OCC2CC2)c1 88622730 ZNBMQISXTQFPCW-INIZCTEOSA-N 318.417 2.354 0 40 DEAB Cc1cc([C@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)c(C)o1 84081631 AJBRXTASRLLCDP-AAEUAGOBSA-N 307.394 2.254 0 40 DEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@H](C)C(C)C)c1 9253990 LUXQHRJPJLMYHE-SNVBAGLBSA-N 305.378 2.378 0 40 DEAB O=C1C[C@]2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1 96004433 YTAXLZVSUMGYGE-SFHVURJKSA-N 323.352 2.090 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)n1cccn1 72234078 JLJSUZGOUWWZRR-UONOGXRCSA-N 301.394 2.158 0 40 DEAB CCCc1noc(CN2CCC[C@@H]2c2c(C)nn(C)c2OC)n1 72253737 DXGUHOXDHSCDTR-GFCCVEGCSA-N 319.409 2.410 0 40 DEAB CC(C)NC(=O)N(C)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 97141450 LLPHFPMXVCMNEY-NSHDSACASA-N 316.810 2.218 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N1CC[C@H]([C@H](C)O)C1 97107852 LNRHGAWESRCZCF-QWRGUYRKSA-N 312.797 2.261 0 40 DEAB CC(C)(C)[C@@H](CCO)NS(=O)(=O)c1cccc(Cl)c1 95432876 FKFAQIVEDQELPD-GFCCVEGCSA-N 305.827 2.415 0 40 DEAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H]1CC=CCC1 95437849 OIQDAYCKBBCPRE-ZFWWWQNUSA-N 305.349 2.382 0 40 DEAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)NC[C@]1(O)CCSC1 95406318 ZQOMTMVFPSWHNK-DJSGYFEHSA-N 306.431 2.087 0 40 DEAB CC[C@@H]1COCCN1C(=O)NCc1ccc(CN(C)C)c(F)c1 95447913 FXDKMUTXLBOZBG-OAHLLOKOSA-N 323.412 2.208 0 40 DEAB CCc1ccc([C@@H](COC)NC(=O)Nc2cccn(C)c2=O)o1 76070786 WZVSAZGRZBEKJO-CYBMUJFWSA-N 319.361 2.050 0 40 DEAB CCCNC(=O)c1nnc2c(Br)cccc2c1N 22001998 GPJGJCJYUOVPPW-UHFFFAOYSA-N 309.167 2.114 0 40 DEAB Cc1ccc(Cn2nc(C)c(Nc3nc(=O)c(C)n[nH]3)c2C)cc1 72260036 MWFYDXKSCGNSSO-UHFFFAOYSA-N 324.388 2.387 0 40 DEAB Cc1nc2ccc(N3CCC[C@H]3COc3ccccc3)nn2n1 519802044 OYVLPHMBRGHQRX-AWEZNQCLSA-N 309.373 2.481 0 40 DEAB O=C(CNC[C@@H]1CCCO1)Nc1ccccc1N1CCCCC1 35311438 DJYHZDSEYWLZCS-HNNXBMFYSA-N 317.433 2.384 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)CC1 33526444 YFJXJPMQFHEZTK-IKGGRYGDSA-N 312.498 2.216 0 40 DEAB CN(C)c1nccc([C@H]2CCCCN2Cc2cnn(C)c2)n1 72385834 FIZHYBXQZQGLDM-OAHLLOKOSA-N 300.410 2.003 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@H]1CCCN(c2ccccn2)C1 130409471 NFBADFZUBMRCAB-AWEZNQCLSA-N 314.389 2.014 0 40 DEAB Fc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cnnc2)cc1 96055367 GMZANJOEQUBBDF-HYVNUMGLSA-N 316.380 2.097 0 40 DEAB Cc1nc(CSc2nnc([C@@H]3CCCCO3)n2N)cs1 96436716 ISGPGMJTPOFFSJ-JTQLQIEISA-N 311.436 2.291 0 40 DEAB CC1(Cn2ncc3ccc(Br)cc3c2=O)COC1 95095814 PCQNFXOCCTVEPT-UHFFFAOYSA-N 309.163 2.196 0 40 DEAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 96055766 OBIDYKBGQUVPGX-ZWKOTPCHSA-N 322.412 2.160 0 40 DEAB Cc1nc(COC[C@]23COC[C@H]2CN(CC2CC2)C3)cs1 96108919 YAGIRQAYTZSDLB-ZBFHGGJFSA-N 308.447 2.327 0 40 DEAB O=C(C1CC=CC1)N1CCN(Cc2ccc(Cl)cn2)CC1 97372548 VYFXAGXNWULUTL-UHFFFAOYSA-N 305.809 2.345 0 40 DEAB CC1(C)CC[C@@H](NC(=O)N2CCO[C@H](CO)C2)c2ccccc21 96456346 PXRYIVCJGYDMJD-XJKSGUPXSA-N 318.417 2.202 0 40 DEAB CCN1CCC[C@@H]1CNCC(=O)N[C@]1(C)[C@H]2CC[C@@H](C2)C1(C)C 142771546 IPBIEUUILOVODC-YIOZNXECSA-N 321.509 2.391 0 40 DEAB CCN(CC)C[C@H]1CN(Cc2ccco2)Cc2nccn2C1 96086774 RQGOAXUXLLFFJV-HNNXBMFYSA-N 302.422 2.450 0 40 DEAB O=C(Cc1ccn[nH]1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 96487333 PVAXRFQNHUNVLK-LLVKDONJSA-N 322.771 2.140 0 40 DEAB CCOC[C@@H](O)CN1CCc2cc(Br)sc2C1 90654394 VFAFKCGRSGLBKH-JTQLQIEISA-N 320.252 2.266 0 40 DEAB O=C(C1CC=CC1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042138 GYGDVSMRGRXJIV-YESZJQIVSA-N 314.385 2.185 0 40 DEAB Cc1ccc(NCCNC(=O)CNc2c(C)cccc2C)nn1 96426384 SXXYAWLROKTGJQ-UHFFFAOYSA-N 313.405 2.042 0 40 DEAB CCOC[C@@H]1CCC2(CCN(C(=O)Cc3ccco3)CC2)N1C 96209506 GAAXWEVVFPRNKV-HNNXBMFYSA-N 320.433 2.314 0 40 DEAB CNc1cc(CC2CCN(C(=O)c3ccccn3)CC2)ncn1 257220844 DMKKGCPIUVRVJS-UHFFFAOYSA-N 311.389 2.008 0 40 DEAB CCOc1ccc([C@@H](COC)NC(=O)Nc2ccncn2)cc1 252499645 SDFOXBOYUKDQDU-CQSZACIVSA-N 316.361 2.385 0 40 DEAB CCc1noc(CCC(=O)N2CCCC[C@H]2c2[nH]ncc2C)n1 257203198 APAHVXHAKQGKEO-LBPRGKRZSA-N 317.393 2.350 0 40 DEAB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccn(C)n2)n1 257299622 RQVDHWYIQKZZQU-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C(=O)O)n1 263573471 MKBHZPGKRFTXPS-INIZCTEOSA-N 306.362 2.201 0 40 DEAB CC[C@H](NC(=O)[C@H]1CCOc2ccccc21)[C@@H](O)C(F)(F)F 270807271 BPUFJUXNKYQAHN-GMXVVIOVSA-N 317.307 2.371 0 40 DEAB CS(=O)(=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)/C=C/c1ccccc1 96375225 CXORYWBZHGCMIL-NUUMQCRXSA-N 319.426 2.266 0 40 DEAB CCc1ccc([C@@H](NC(=O)[C@H](C)S(C)(=O)=O)C(C)C)cc1 71903345 ZQOXOPRVFUQTNW-WFASDCNBSA-N 311.447 2.495 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(c3ncc(F)cn3)C2)nc1 1776000481 IMLFGEVJIBSVIO-GFCCVEGCSA-N 303.341 2.010 0 40 DEAB CCOc1ccc(OCCN2CCC[C@H]2C(=O)NC2CC2)cc1 54985532 KOTUSXLXQFGWCM-KRWDZBQOSA-N 318.417 2.207 0 40 DEAB Cc1cc(C)c(CNC(=O)NCc2ccc(Cl)o2)c(=O)[nH]1 75117662 SSIVPFUTSUIWGP-UHFFFAOYSA-N 309.753 2.238 0 40 DEAB Cc1ccccc1CNC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 80961385 PWVQCXGIEJJMGX-MRXNPFEDSA-N 312.417 2.214 0 40 DEAB O=C(CCOCc1ccccc1)N[C@H]1c2ccccc2C[C@H]1O 81701466 UGNDEFGDTUBJMU-MJGOQNOKSA-N 311.381 2.368 0 40 DEAB NC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3)s2)CCO1 92735329 FLFDCLHGYMVXHE-CQSZACIVSA-N 302.399 2.101 0 40 DEAB Cc1cc(C)n2c(CN3CCOC4(CCCC4)C3)cnc2n1 93589062 YHDCFPLEENTXIV-UHFFFAOYSA-N 300.406 2.491 0 40 DEAB O=C([C@H]1CC=CCC1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025381 CILHBRIHWUTPAJ-GOEBONIOSA-N 319.426 2.418 0 40 DEAB CN1C(=O)COc2ccccc2CC=CC[C@H]2NCCC[C@H]21 1615525730 AYACEWALDDXUMR-HZPDHXFCSA-N 300.402 2.147 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C)C3)C2=O)cc1 5043824 CQAJQFNBTOERDU-IUODEOHRSA-N 302.374 2.059 0 40 DEAB CC(C)n1c(=O)n(CC(=O)NC2CCCCC2)c2cccnc21 12117517 MEWXLCBZXAWMPX-UHFFFAOYSA-N 316.405 2.228 0 40 DEAB O=C(COc1ccc(Cl)cc1C(=O)O)NCc1ccco1 13083435 KEQFOVWNPRCKDK-UHFFFAOYSA-N 309.705 2.326 0 40 DEAB COc1ccc(C)cc1NC(=O)c1snc2c(O)ncnc12 13564124 PQVSFSRGUYMXKQ-UHFFFAOYSA-N 316.342 2.361 0 40 DEAB COc1ccc(NC(=O)c2snc3c(O)ncnc23)cc1 13564120 CRPVPMRXMYZYFF-UHFFFAOYSA-N 302.315 2.053 0 40 DEAB Cc1cc(N2CCN(CC3CC3)CC2)cc([C@@H]2CCCN2)n1 19697994 IWVZEMCDOVUVBP-KRWDZBQOSA-N 300.450 2.347 0 40 DEAB CC(=O)OC(C)(C)C(=O)N[C@@H](C)Cc1ccc2c(c1)CCO2 225601189 MKWFADJMBBNJAP-NSHDSACASA-N 305.374 2.010 0 40 DEAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CC1 3241936 GKVMLOHRMMWXBP-UHFFFAOYSA-N 305.349 2.459 0 40 DEAB CC(C)n1cnnc1SCc1nc2ccsc2c(=O)[nH]1 4485372 LTCQIIMQKJIBLZ-UHFFFAOYSA-N 307.404 2.449 0 40 DEAB COC(=O)c1ccc(OC(=O)c2ccc3c(c2)OCCO3)cc1 7062807 JSACFULUSTVQMC-UHFFFAOYSA-N 314.293 2.464 0 40 DEAB C[C@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)C1 25131845 YPMHETKEVBKQDU-NSHDSACASA-N 310.344 2.343 0 40 DEAB Cc1cc(C)c(NC(=O)CSc2n[nH]c(N)n2)c(Cl)c1 3415793 BTPSRLTWAFVYSF-UHFFFAOYSA-N 311.798 2.388 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(CN)CC1 36296765 STMAOPKEIQHQIX-UHFFFAOYSA-N 302.827 2.008 0 40 DEAB COc1cccc(CN2CC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)c1 2055841035 OQTAXMRYONAHDH-SJLPKXTDSA-N 313.401 2.498 0 40 DEAB COCCNC(=O)Nc1nc(-c2ccc3c(c2)OCO3)cs1 38550413 MJBBVWNTBLZCQU-UHFFFAOYSA-N 321.358 2.307 0 40 DEAB CCN(C(=O)c1cccc(-n2ccnn2)c1)c1ccc(OC)nc1 95439371 CROCYNUUOAEDDD-UHFFFAOYSA-N 323.356 2.338 0 40 DEAB COC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1 31688553 KEFYAVRPGCETSZ-QMMMGPOBSA-N 305.252 2.379 0 40 DEAB C[C@]1(c2cccc(NC(=O)[C@H]3CC=CCC3)c2)NC(=O)NC1=O 40535844 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BKDOHSOSXBVAOU-UHFFFAOYSA-N 323.396 2.110 0 40 DEAB CN(CCCN1CCCCC1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 249291866 ALCAPYHHFOCNNY-HZPDHXFCSA-N 316.511 2.150 0 40 DEAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccc(O)nn1 340125805 PDAAVVPRFVPVJX-UHFFFAOYSA-N 321.340 2.498 0 40 DEAB O=C(CC1CCCC1)N1CCOC[C@@H]1CCc1cnccn1 257343317 ZSJXNXMMPQIDAZ-INIZCTEOSA-N 303.406 2.217 0 40 DEAB Cc1ccnn1CCC(=O)N1CCC(Cc2ccncc2)CC1 257295966 RAQFHTVVXUTXPB-UHFFFAOYSA-N 312.417 2.458 0 40 DEAB Cc1ncsc1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257339106 ZAFQAEIADXTGIY-LBPRGKRZSA-N 318.402 2.413 0 40 DEAB COc1ncc(NC(=O)Nc2ccccc2F)c(N(C)C)n1 96121381 ODQYJNPUPMIFHA-UHFFFAOYSA-N 305.313 2.334 0 40 DEAB O=C(c1ccc2nccnc2c1)N1CC(OCC(F)(F)F)C1 390831857 VLJBLJLKOWIGTG-UHFFFAOYSA-N 311.263 2.033 0 40 DEAB CCC[C@@H](C)N1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099606 SGKQGSAUJFFMBK-KDOFPFPSSA-N 317.433 2.003 0 40 DEAB O=C(C1CCOCC1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585276302 HWKVAPLQUVXBPU-WBVHZDCISA-N 321.392 2.004 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)NC1=NCCS1 44896113 COZJMIXXTVDMRU-UHFFFAOYSA-N 301.371 2.412 0 40 DEAB C[C@@H](NC(=O)NCCCn1cncn1)c1cccc(Cl)c1 47893136 KAKOBJKKWSWYHZ-LLVKDONJSA-N 307.785 2.382 0 40 DEAB Cc1cc(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)no1 58018905 GGKUDTDTGAUETD-MGPQQGTHSA-N 322.409 2.089 0 40 DEAB CCCCCNC(=O)N1CCC(CCN2CCOCC2)CC1 69900488 JMYGMROGLVMDHQ-UHFFFAOYSA-N 311.470 2.321 0 40 DEAB C[C@H](NC(=O)Cc1cccc(O)c1)[C@@H](O)c1ccc(F)c(F)c1 97045598 CKJQTWQGLOOIDQ-DYZYQPBXSA-N 321.323 2.451 0 40 DEAB CCc1nn2c(nnc3c(=O)[nH]ccc32)c1-c1ccc(F)cc1 19962730 KNQFRBOXXJZTCV-UHFFFAOYSA-N 309.304 2.334 0 40 DEAB CO[C@H]1CCN(c2ccc(C(=O)NCc3ccco3)cc2)C1 206767409 QBOUKZDDMMVIBW-INIZCTEOSA-N 300.358 2.435 0 40 DEAB Cc1cc([C@H](C)N2CCC[C@@H](n3ccnn3)C2)oc1C(=O)O 575188412 XLNWBJUXAVGKRQ-NWDGAFQWSA-N 304.350 2.276 0 40 DEAB O=C(NC1CN(c2cnccn2)C1)c1cccc(C(F)(F)F)c1 1888854262 RJCKXNWPLWGUJF-UHFFFAOYSA-N 322.290 2.114 0 40 DEAB Cc1cc2c(N3CC[C@H](Oc4ccncc4C)C3)nccn2n1 1889138825 QSDJCDOYUSVSET-AWEZNQCLSA-N 309.373 2.399 0 40 DEAB CCn1nnc2cc(C(=O)n3cccc/c3=N\C(C)C)ccc21 26129116 OHMOYXKFALNLLZ-FBMGVBCBSA-N 309.373 2.250 0 40 DEAB COc1cccc(OC)c1C(=O)NCCOCC(F)(F)F 4727397 LVDBVDWJYGGLER-UHFFFAOYSA-N 307.268 2.013 0 40 DEAB COC[C@@H]1CN(C(=O)c2cc[nH]c2)Cc2ncn(CC3CC3)c21 2055751112 JODWKEKKYILBPZ-AWEZNQCLSA-N 314.389 2.007 0 40 DEAB COc1nn(C)cc1C(=O)Nc1nnc(SC(C)C)s1 21011161 WXNSGJIUZLTXQV-UHFFFAOYSA-N 313.408 2.033 0 40 DEAB CC[C@](CO)(C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1 100012066 UVFFMBYRGIAWRW-TXPKVOOTSA-N 317.429 2.495 0 40 DEAB COc1ccc(C(=O)NC[C@@]2(O)CCc3ccccc3C2)cc1 90745203 KGAILPPQXOHTCT-LJQANCHMSA-N 311.381 2.345 0 40 DEAB CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 96411291 FNFXZKZRXARYQB-GWCFXTLKSA-N 324.446 2.418 0 40 DEAB O=C(NC1CCCCC1)c1c(-n2cnnn2)sc2c1CCC2 40287697 DDUDUMZKDRLGGN-UHFFFAOYSA-N 317.418 2.275 0 40 DEAB O=C(Cc1cccc(F)c1)N[C@H]1CCCc2[nH]c(=O)ccc21 43055684 LJQITVPBCILYID-HNNXBMFYSA-N 300.333 2.250 0 40 DEAB COC(=O)C[C@@H](NC(=O)C1CCC1)c1ccc(OC)c(OC)c1 24486433 NPIIUXAOSXEUFN-CYBMUJFWSA-N 321.373 2.224 0 40 DEAB C[C@H](NC(=O)Nc1nccs1)c1ccc2c(c1)NC(=O)CO2 43160344 JZULXQGDTZVWSS-QMMMGPOBSA-N 318.358 2.357 0 40 DEAB CC(C)NC(=O)N1CCC[C@H](C(=O)N(C)c2ccccc2)C1 47989732 LYBDOSWXBPBGBG-AWEZNQCLSA-N 303.406 2.479 0 40 DEAB O=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CC1 3271156 WXLHVWFTFOMLDX-UHFFFAOYSA-N 318.156 2.194 0 40 DEAB CCOC(=O)c1cc(NC(=O)NC[C@@H]2CCCO2)c(C)nc1C 3243477 FVNTYQAPWYVAEZ-LBPRGKRZSA-N 321.377 2.176 0 40 DEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@H](C)C(C)C)c1 78600705 SZBFKVGSNGYZLG-LLVKDONJSA-N 313.423 2.069 0 40 DEAB O=C(NC1(C(=O)O)CCCC1)C1=NO[C@H](c2ccccc2)C1 78702916 CTRUHTWGENTZHT-ZDUSSCGKSA-N 302.330 2.018 0 40 DEAB CC(C)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 25136878 XAMIVLQASQPMJI-UHFFFAOYSA-N 300.406 2.048 0 40 DEAB CCCc1nnc(NC(=O)NCc2ccc(N(C)C)nc2)s1 43556122 GRBSSFGHVRBYGI-UHFFFAOYSA-N 320.422 2.273 0 40 DEAB COc1cccc(CSc2nnc(CN3CCCC3=O)o2)c1 44173359 HGXPQGLTMNKKAI-UHFFFAOYSA-N 319.386 2.493 0 40 DEAB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)CCOc1cccc(Cl)c1 75094436 MUBAVJHBGRGKQB-KBPBESRZSA-N 324.808 2.269 0 40 DEAB O=C1C(=O)N(C[C@H]2CCCCO2)C(=O)N1CCC1=CCCCC1 57542782 NFDFGNHVJFPXNL-CQSZACIVSA-N 320.389 2.237 0 40 DEAB CCCNC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8492256 NNXRNPAMLORFIC-UHFFFAOYSA-N 312.435 2.067 0 40 DEAB COc1ccc(C(=O)OCC(=O)c2ccc(OC)c(F)c2)cn1 8515687 LCWSIPQODNXXET-UHFFFAOYSA-N 319.288 2.278 0 40 DEAB O=C(CCn1ncc(=O)c2ccccc21)NCC1CCCCC1 44889019 WBDFIWXFLJEOIE-UHFFFAOYSA-N 313.401 2.483 0 40 DEAB CC[C@@H](O)CN(CC(=O)Nc1cc(C)on1)c1ccccc1 58341404 NPHFVCGVZAXGER-CQSZACIVSA-N 303.362 2.199 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 62118448 SYADWPXYFHOPBJ-SECBINFHSA-N 302.157 2.469 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)N1CCN(c2nccs2)CC1 28415990 CCJUCVSIGZQGEY-LBPRGKRZSA-N 320.418 2.199 0 40 DEAB CCO[C@@H](C)c1noc(CNC(=O)NC[C@@H]2CC=CCC2)n1 75112166 JNYJDTACKXRVQH-NWDGAFQWSA-N 308.382 2.323 0 40 DEAB O[C@H](CNc1ncnc2sc3c(c12)CCC3)COCC1CC1 95393397 RVHTVWTVSRGMJR-LLVKDONJSA-N 319.430 2.379 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 170670697 BVYDGXNAVVWXHO-GFCCVEGCSA-N 300.362 2.223 0 40 DEAB CN1CCC(N2CC[C@@H](N[C@H]3CC(C)(C)OC3(C)C)C2)CC1 95422347 QGYZQWRAOUWWKR-ZBFHGGJFSA-N 309.498 2.091 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 89920398 WXQACJZUZZUGQJ-GDBMZVCRSA-N 312.413 2.045 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)CN1CCCCC1)c1ccccc1 12507115 PWUPIOCSBIPETR-KRWDZBQOSA-N 312.417 2.112 0 40 DEAB c1cc2nncn2nc1N1CCC(CN2CCCCCC2)CC1 48346035 AXURKYSWEFUTLR-UHFFFAOYSA-N 314.437 2.217 0 40 DEAB C[C@H]1CCC[C@@H](C(=O)NCCS(=O)(=O)Nc2ccccc2)C1 95401272 VCRWPLZKQLTGJP-UONOGXRCSA-N 324.446 2.371 0 40 DEAB COc1cc(NC(=O)c2ccc(=O)[nH]c2)c(OC)cc1Cl 20298388 MNAMMQZSPBSCFT-UHFFFAOYSA-N 308.721 2.298 0 40 DEAB C[C@](O)(CNS(=O)(=O)CC1CCCCC1)c1cccs1 95461905 UOQJUVVTGZZULO-AWEZNQCLSA-N 317.476 2.455 0 40 DEAB O=C(c1cnn2cc(Br)cnc12)N1CCCCC1 93899939 MCXJQIRKCOCJDS-UHFFFAOYSA-N 309.167 2.118 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6328819 SIRCGCMPFGQRGM-IUODEOHRSA-N 324.446 2.245 0 40 DEAB CC[C@H]1CN(C(=O)c2c(C)oc(C)c2C)C[C@H]1N1CCOCC1 84735938 MTCSOYVXCGYWGA-JKSUJKDBSA-N 320.433 2.388 0 40 DEAB NC(=O)c1ccc(CSc2nnnn2C2CCCC2)cc1 14135808 RNLCNGLGGDDJTK-UHFFFAOYSA-N 303.391 2.179 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc[nH]2)c1C 4549691 JACRJLYXKSMHSL-UHFFFAOYSA-N 318.329 2.176 0 40 DEAB COc1ccc(NC(=O)C[C@H](C)NC(=O)C2CCCC2)cn1 65624904 VHZIPOXNKKJZNC-NSHDSACASA-N 305.378 2.114 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1ccc(Cl)s1 71829516 PQVQFNZDXJVNFH-NXEZZACHSA-N 314.838 2.447 0 40 DEAB CC[C@@](C)(O)CNC(=O)Nc1ccc(-c2csnn2)cc1 66160994 NUMLOQYUBUYGFF-CQSZACIVSA-N 306.391 2.488 0 40 DEAB C/C=C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 5702907 CKWSDAPTWDEDCY-KXGOJYIESA-N 303.314 2.418 0 40 DEAB CN(Cc1cccc(C(N)=O)c1)C(=O)Cc1ccc2c(c1)CCC2 83864115 JSQYTHKJKNYDDL-UHFFFAOYSA-N 322.408 2.475 0 40 DEAB CCn1nc(C)c(CNC(=O)NCCN2CCCC[C@@H]2C)c1C 67015836 XUNFNXXVNUIMKO-ZDUSSCGKSA-N 321.469 2.193 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=S)NCC(C)(C)N1CCOCC1 15348814 GXZAXMDENYFWGV-UONOGXRCSA-N 313.511 2.140 0 40 DEAB CCn1cnnc1C1CCN(C(=O)CCc2ccco2)CC1 68488101 LIZOVBDQABFKAO-UHFFFAOYSA-N 302.378 2.230 0 40 DEAB CCC[C@@H]1SCCN1S(=O)(=O)c1c[nH]c2ncccc12 95980087 INHJRDMJHJHHNR-LBPRGKRZSA-N 311.432 2.427 0 40 DEAB O=C(OCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C1CCC1 70036470 TXCLQXZBVKXZBK-HNNXBMFYSA-N 321.348 2.069 0 40 DEAB Cc1nc2c(c(=O)[nH]1)[C@@H](c1c(F)cccc1Cl)CC(=O)N2 17028661 RZEZTGNNLRKNJC-SSDOTTSWSA-N 307.712 2.345 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C2 69455112 ILCHHDOXHSXKIO-ZIAGYGMSSA-N 314.364 2.126 0 40 DEAB COCc1nc(CN2CCC[C@@H](c3ccnn3C)C2)cs1 72299787 AFCGCCCXCPWLJK-GFCCVEGCSA-N 306.435 2.403 0 40 DEAB COc1ccc(NC(=O)NCc2nnc(C)n2C)c(Cl)c1 72271647 CFRJYAUNIAFQKL-UHFFFAOYSA-N 309.757 2.107 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1C[C@@H]1c1c(F)cccc1F 72286452 KXTKAQJBOFSQGP-GRYCIOLGSA-N 317.339 2.396 0 40 DEAB OCCOc1cc(F)ccc1NCc1nc(-c2ccoc2)no1 69817274 CLJRLVCBJQFXNI-UHFFFAOYSA-N 319.292 2.452 0 40 DEAB COC(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)cn1 113032529 RNISKILYMTYENR-UHFFFAOYSA-N 321.377 2.378 0 40 DEAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NC[C@@H](C)N(C)C 25149152 NNHMIXHOZUUNKB-SNVBAGLBSA-N 309.435 2.085 0 40 DEAB O=C(c1cscn1)N1CCC(C(=O)O)(c2ccccc2)CC1 95946617 CMMKALGZWDQQLZ-UHFFFAOYSA-N 316.382 2.402 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCC[C@@H](n2cccn2)C1 71186016 VCTHVSKSJRHXDY-GFCCVEGCSA-N 313.336 2.376 0 40 DEAB Cc1cc(C)nc(NC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 97378735 XPWJGPNFUIEGEJ-GFCCVEGCSA-N 304.394 2.219 0 40 DEAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 76019909 FQZHDDDBIZXLMI-ZIAGYGMSSA-N 310.419 2.472 0 40 DEAB Cc1c(C(=O)NCCNc2ccc3ccccc3n2)cnn1C 76092830 GUDSDWWOVRECAF-UHFFFAOYSA-N 309.373 2.119 0 40 DEAB O=C1C[C@@H](c2ccccc2OCc2ccccc2)N2NC=NC2=N1 409377684 KKPLYFLMORRASQ-HNNXBMFYSA-N 320.352 2.442 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCCOC 408998593 BKDFIRRTXPPZTM-UKRRQHHQSA-N 322.405 2.090 0 40 DEAB CC1(C)CN(Cc2ccccc2)CCO[C@@H]1N1CCOCC1 31960304 ITRDUFRBZQOUCA-KRWDZBQOSA-N 304.434 2.203 0 40 DEAB COc1cc(CNC(C)(C)C)ccc1OC[C@@H]1NC(C)=NO1 32617176 NVYOUAGPQMMOJR-OAHLLOKOSA-N 307.394 2.241 0 40 DEAB O=C(CN1C(=O)CSc2ccccc21)O[C@H]1CCSC1 78446256 ICFGBUCMXOHWOB-JTQLQIEISA-N 309.412 2.174 0 40 DEAB CCOC(=O)N1CCN(CC(=O)c2cccc(Cl)c2)CC1 34785145 NPTVCDHDIDSERR-UHFFFAOYSA-N 310.781 2.297 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)CCC(C)C)c(F)c1 77929958 YTYAKKMVGYIJLV-QGZVFWFLSA-N 324.396 2.376 0 40 DEAB CC(C)(C)OC(=O)N1CCOC2(CCC3(CC2)OCCO3)C1 1565504841 QIEABMABPUSATC-UHFFFAOYSA-N 313.394 2.310 0 40 DEAB CC(C)[C@H](NCc1cnc(CCc2ccccc2)nc1)C(=O)O 218757145 NHMSZJLBOIDMBC-KRWDZBQOSA-N 313.401 2.461 0 40 DEAB COc1ccc(C[C@@](C)(O)CNC(=O)[C@@H]2CC=CCC2)cc1 75170264 BCANEYRUUHSYAH-CRAIPNDOSA-N 303.402 2.461 0 40 DEAB COC[C@H](O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 75863409 MMAYZFQMOKUUGN-XJKSGUPXSA-N 312.841 2.026 0 40 DEAB CCOC(=O)[C@@H](CC)n1cc(I)cn1 72339398 ZLDCHGTWWZSBJO-MRVPVSSYSA-N 308.119 2.002 0 40 DEAB CC(=O)N1CCN(c2cc(C)c([C@@H](N)c3ccccc3)cn2)CC1 72223742 RKLFEANSMRVKEK-IBGZPJMESA-N 324.428 2.107 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 46814310 IKRRVHCKISBXOT-UHFFFAOYSA-N 323.345 2.091 0 40 DEAB O=C(Cc1cccc(F)c1)Nc1ncn(Cc2cccnc2)n1 69382712 BRVIPHADJOTLJK-UHFFFAOYSA-N 311.320 2.042 0 40 DEAB NC[C@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2ncccc12 195544588 CKEYSRDNGGDIRU-TZMCWYRMSA-N 319.430 2.031 0 40 DEAB Cc1cc(NCC(=O)N[C@@H](C)c2ccccc2)ccc1C(N)=O 69632729 WXYFDQVNQKUHSX-ZDUSSCGKSA-N 311.385 2.383 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N)cc2C)cc1 41626001 XSOGBSOASMKEJB-UHFFFAOYSA-N 319.386 2.336 0 40 DEAB CC[C@@H](CNC(=O)C1(O)CCOCC1)c1ccc(Cl)cc1 195567574 JHYWQFYZKRGGTK-LBPRGKRZSA-N 311.809 2.491 0 40 DEAB CNC(=O)c1ccc(CN(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 96419625 UNZDNFQFRNAWLP-OAGGEKHMSA-N 302.418 2.292 0 40 DEAB Cc1ncc(NC(=O)C2CCN(c3cnccn3)CC2)s1 332156793 ROGSWFGJOINQRT-UHFFFAOYSA-N 303.391 2.097 0 40 DEAB CCn1ccc2ccc(NC(=O)N[C@@H](C)Cn3cncn3)cc21 96435089 KWOXVQRKXOSMSJ-LBPRGKRZSA-N 312.377 2.463 0 40 DEAB Cc1ccc(OCC(=O)NC2CC2)c(-n2nc3ccccc3n2)c1 96191761 HOZFKUNMFJRBBB-UHFFFAOYSA-N 322.368 2.386 0 40 DEAB O=C(Nc1n[nH]c(CCc2ccccc2)n1)c1[nH]nc2c1CCC2 95476326 DDJOIWDDLVLTPC-UHFFFAOYSA-N 322.372 2.054 0 40 DEAB C[C@@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cccs1 96483511 KPSZKDQEZCQQEY-WCQYABFASA-N 311.428 2.191 0 40 DEAB COc1cc(N2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)ncn1 96223619 UGBYUPNYAAFEQQ-WMLDXEAASA-N 319.405 2.040 0 40 DEAB CC(C)Oc1nccnc1N1CCC[C@@H](NC(=O)C(C)C)C1 96503046 LXUWGMGMXASHIH-CYBMUJFWSA-N 306.410 2.005 0 40 DEAB CCS(=O)(=O)N1CCN(c2cccc3cnccc23)C[C@H]1C 331476800 VIAQHWDMOBOPGC-CYBMUJFWSA-N 319.430 2.095 0 40 DEAB Brc1cnc2c(c1)nc([C@H]1CCCO1)n2C[C@@H]1CO1 95096488 FOXFPAJOSOHVHK-MWLCHTKSSA-N 324.178 2.444 0 40 DEAB O=C(CSC1CCCC1)Nc1cc(-n2cccn2)ncn1 96097979 FUZISCVBQQBIIU-UHFFFAOYSA-N 303.391 2.277 0 40 DEAB Cc1cc(C)n2ncc(C(=O)NCCc3cccs3)c2n1 27605511 NUKZZUNCGYMQTK-UHFFFAOYSA-N 300.387 2.380 0 40 DEAB O=C(CC1CCCCC1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257219258 DGEKQGZRMUKISK-HOTGVXAUSA-N 305.422 2.378 0 40 DEAB Cc1noc(C)c1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 257246938 IWQJMGQVSIMNHJ-AWEZNQCLSA-N 314.389 2.427 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 257320330 VWHDEECTVUJCER-AWEZNQCLSA-N 321.384 2.151 0 40 DEAB O=C(NCC[C@H](O)c1ccoc1)c1ccc(Br)o1 90612983 PYKVXUCFCPZBAV-VIFPVBQESA-N 314.135 2.489 0 40 DEAB CC(=O)N1CC(c2nc(Cc3cccc(Cl)c3F)no2)C1 290004837 FZHRGCYMPCHHRK-UHFFFAOYSA-N 309.728 2.399 0 40 DEAB CC(C)C(=O)N1Cc2cccn2C[C@H](OCc2cccnc2)C1 575406310 WPLNMHHNUGTKSY-KRWDZBQOSA-N 313.401 2.467 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983891 JRPUIUQUGVUJRL-GWCFXTLKSA-N 324.783 2.420 0 40 DEAB Cc1ccc(NC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 84155204 XQDLZQULWYUSPA-INIZCTEOSA-N 305.422 2.473 0 40 DEAB Oc1ccc(C(=S)N2CCOCC2)cc1Br 565928 ADOLTTNZLDZIKB-UHFFFAOYSA-N 302.193 2.162 0 40 DEAB CC(C)N1CCC2(CC1)CCC(C)(C)N(S(C)(=O)=O)C2 1615190558 BBDWVODFAAVGPR-UHFFFAOYSA-N 302.484 2.311 0 40 DEAB COc1ccc([C@H](NC(=O)c2ccccn2)c2nccn2C)cc1 12114920 IVZAOLLWUSIKFR-INIZCTEOSA-N 322.368 2.343 0 40 DEAB Cc1nc2c(c(=O)[nH]1)CN(Cc1ccc3ccccc3n1)CC2 12145335 KZNCHPANIPIPCX-UHFFFAOYSA-N 306.369 2.185 0 40 DEAB CCn1cc(S(=O)(=O)NC2(c3ccc(F)cc3)CC2)c(C)n1 12363402 ISUIBWDWQDBYNY-UHFFFAOYSA-N 323.393 2.318 0 40 DEAB C[C@H]1CN(CC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H](C)O1 12620875 XJDNEVGPHXOOIN-JKIFEVAISA-N 302.418 2.289 0 40 DEAB CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCCC1 15717998 JDUOUVRTKJYHIF-UHFFFAOYSA-N 322.430 2.016 0 40 DEAB Cn1nccc1C(=O)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19289122 TXWFJNANONUPGV-CQSZACIVSA-N 321.384 2.383 0 40 DEAB CC(C)N(C)C(=O)C(=O)Nc1ccc(F)cc1OC(F)F 163472611 ITNSSJZYCHZBHB-UHFFFAOYSA-N 304.268 2.232 0 40 DEAB C[C@H]1C[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)CC[C@H]1C 152942241 IIOJJNSUBMWQAM-IJEWVQPXSA-N 321.465 2.465 0 40 DEAB O=C(NCC1CC1)C1(NCc2ccc3cn[nH]c3c2)CCCC1 154570339 LJKAIULFQGWEDN-UHFFFAOYSA-N 312.417 2.492 0 40 DEAB COCCCNC(=O)/C=C/c1ccc(Br)c(N)c1 226349994 SLYGVLRGICZFSN-GQCTYLIASA-N 313.195 2.197 0 40 DEAB CCc1ccc(C(=O)NCC2CCN(CCOC)CC2)cc1 23014125 ZQNDLDVFYULQTH-UHFFFAOYSA-N 304.434 2.337 0 40 DEAB CC(C)(C)C(=O)N1CCC(N(c2ccncn2)C2CC2)CC1 1888834242 JHIWELRLKJMHJU-UHFFFAOYSA-N 302.422 2.483 0 40 DEAB CC(C)(C)NC(=O)N1CCC(Oc2ncc(Cl)cn2)CC1 1888843701 VCXQAKTXWCLXLU-UHFFFAOYSA-N 312.801 2.481 0 40 DEAB Cc1nc(CC(=O)NCCc2cn3ccccc3n2)cs1 23319068 QIOSMDNNYFVTHY-UHFFFAOYSA-N 300.387 2.001 0 40 DEAB Cc1cc(C(=O)NC[C@@]2(O)CCOc3ccccc32)c(C)o1 75158080 GZOSKRQKSLGJFU-KRWDZBQOSA-N 301.342 2.297 0 40 DEAB COCCNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 40527026 YIULMMCDANZYKO-UHFFFAOYSA-N 311.769 2.235 0 40 DEAB O=C(NC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1cccc2ccnn12 101751508 FXVIJOBJUJKBBE-LGBHXNNWSA-N 311.385 2.148 0 40 DEAB COC(=O)c1ccccc1NC(=O)CSc1nnc(C)s1 478107 ANROPFWBXXTEGB-UHFFFAOYSA-N 323.399 2.364 0 40 DEAB CC(=O)Nc1ccc2nc(NC(=O)c3cnn(C)c3)sc2c1 32900445 CDTDYLHVPVTGOJ-UHFFFAOYSA-N 315.358 2.241 0 40 DEAB Cc1noc([C@H]2CCCN(Cc3noc(C(C)(C)C)n3)C2)n1 52862934 LHTRNZQYMYFAGH-NSHDSACASA-N 305.382 2.438 0 40 DEAB CCOC(=O)N1CCC(NC(=O)c2ccc(OC)cc2)CC1 21970411 SQTXSEAEQQLBII-UHFFFAOYSA-N 306.362 2.046 0 40 DEAB COc1ccccc1CNC(=O)NCc1ccc(CO)c(F)c1 53756008 MTQUVNJSJYKVPK-UHFFFAOYSA-N 318.348 2.326 0 40 DEAB CC(=O)c1ccc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)s1 106056194 MBMPVQLEYHJRNJ-UTUOFQBUSA-N 324.446 2.178 0 40 DEAB COc1ccc(NC(=O)c2nccnc2C(=O)O)cc1Cl 3265561 FTRWEQRQUIEFBG-UHFFFAOYSA-N 307.693 2.089 0 40 DEAB CC(C)COC1CCN(C(=O)CNC(=O)c2ccsc2)CC1 55319047 LGUNZNFOPGGYLE-UHFFFAOYSA-N 324.446 2.142 0 40 DEAB CO[C@@H](C)C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1 55306456 UZJBNRCEFVWSTO-BBRMVZONSA-N 313.401 2.460 0 40 DEAB CN1C(=O)C(Cc2c(Cl)cccc2Cl)C(=O)N(C)C1=O 1406454 BUHGHPQAQWDJEF-UHFFFAOYSA-N 315.156 2.203 0 40 DEAB COS(=O)(=O)N[C@@H]1CC1(c1ccccc1)c1ccccc1 1707188 MSRUARNOAOFTFU-OAHLLOKOSA-N 303.383 2.226 0 40 DEAB CNC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3 4170940 LKXFAEACKHUMFP-UHFFFAOYSA-N 304.371 2.153 0 40 DEAB C[C@H](NC(=S)N1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 44071323 RFAMHZXTYMFQOX-GXTWGEPZSA-N 305.447 2.175 0 40 DEAB COc1ccnc(C(=O)NC2CCN(CC3CCCC3)CC2)c1 95959987 XATWPEIMFJWCOU-UHFFFAOYSA-N 317.433 2.475 0 40 DEAB O=C(C[C@@H]1[C@@H]2CN(Cc3cccnc3)C[C@@H]21)Nc1cccnc1 107253928 RGUFAYZKHCJREC-BJWYYQGGSA-N 308.385 2.183 0 40 DEAB CC[C@]1(c2ccccc2)NC(=O)N(CCc2ccncc2)C1=O 58010485 IEFZYKXPRLHZQY-GOSISDBHSA-N 309.369 2.481 0 40 DEAB O=C(C[C@H]1CCCO1)NC1CCN(Cc2ccccc2F)CC1 58160369 VDSJSJDATMANRJ-MRXNPFEDSA-N 320.408 2.475 0 40 DEAB Nc1cc(=O)[nH]c(SCC(=O)c2ccc3c(c2)CCCC3)n1 9799336 UZGNARHDHZGZLK-UHFFFAOYSA-N 315.398 2.206 0 40 DEAB CCOc1ccc(CCC(=O)N[C@@](C)(CC)C(=O)OC)cc1 58210265 NGSLZLJCVJOHHA-KRWDZBQOSA-N 307.390 2.476 0 40 DEAB NC(=O)Nc1ccc(CNC(=O)c2cc(F)cc(F)c2)cc1 58558309 GREPBLYMAHBLLE-UHFFFAOYSA-N 305.284 2.385 0 40 DEAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)c2nncn2C)cc1 58370395 NUAAJLTVKRKIMW-RYUDHWBXSA-N 322.434 2.368 0 40 DEAB CCOC(=O)[C@@H](C)Sc1nnnn1-c1cc(C)ccc1OC 58341115 YMCRIDSJOMEKMN-SNVBAGLBSA-N 322.390 2.023 0 40 DEAB O=C(Nc1cn[nH]c1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58355944 VRAPGYOYNCIXCR-CYBMUJFWSA-N 302.353 2.400 0 40 DEAB Cc1cc(C(=O)OCC(=O)NCC(C)C)c2ccccc2n1 3302180 UGGHIYWQNLOCOJ-UHFFFAOYSA-N 300.358 2.472 0 40 DEAB COc1c(CN[C@H](C)c2ccc3c(c2)OCO3)c(C)nn1C 58428910 IKKHYAALZSLHMK-SNVBAGLBSA-N 303.362 2.317 0 40 DEAB O=C([C@H]1CC(=O)N(C2CC2)C1)N1CCC(c2ccccc2)CC1 46735982 NLKDIXNNNRBXNY-INIZCTEOSA-N 312.413 2.404 0 40 DEAB C[C@H]1CN(CCCNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1 47681697 YSHPNXRYLOIHAS-BETUJISGSA-N 322.474 2.466 0 40 DEAB CCCc1cc(=O)oc2c(C)c(OCc3nn[nH]n3)ccc12 12733617 CXLFCSCFDKRNQP-UHFFFAOYSA-N 300.318 2.146 0 40 DEAB COC(=O)c1ccc(F)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 48383585 XDPGXURONKARCL-QWRGUYRKSA-N 321.304 2.218 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCOCC1 12855325 SAEIFNBPJIQIFX-INIZCTEOSA-N 307.434 2.364 0 40 DEAB CCc1cccc(CC)c1NC(=O)CN1CCCC[C@H]1C(N)=O 9365587 UMBDIOXLQXFLFP-HNNXBMFYSA-N 317.433 2.090 0 40 DEAB CS[C@H](CO)[C@H](C)NC(=O)Cc1ccccc1C(F)(F)F 95427443 IVRGZPUNOOCPTH-JOYOIKCWSA-N 321.364 2.477 0 40 DEAB CCOc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1 6207605 GDWPIZJHOWSTEH-UHFFFAOYSA-N 315.354 2.407 0 40 DEAB NC(=O)COc1ccc(CNCc2ccc(F)c(F)c2)cc1 65462994 IUVNNLFRKLRKMZ-UHFFFAOYSA-N 306.312 2.119 0 40 DEAB CC(C)(NC[C@H](O)CN1CCCC1=O)c1ccc(Cl)cc1 95431850 BCPYXXWOJXIQNY-AWEZNQCLSA-N 310.825 2.148 0 40 DEAB CCCC[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 71831113 ZBUQYLPCRCPESO-AWEZNQCLSA-N 303.406 2.062 0 40 DEAB Cc1ccc2c(c1)CC[C@H]2NCc1cnc(N2CCOCC2)nc1 71837192 NATHSEZHQJJRLG-GOSISDBHSA-N 324.428 2.399 0 40 DEAB O=C(NC1CCSCC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 71882744 VAMHDMYWIKLAPC-NSHDSACASA-N 322.405 2.190 0 40 DEAB CO[C@H]1CC[C@@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 110693807 GYLDSTDDNJOCBZ-BBWFWOEESA-N 303.402 2.332 0 40 DEAB CCc1nc(CC(=O)NC[C@H](C)N2CCC(C)CC2)cs1 67269439 VEGBJEZFKQFXRI-ZDUSSCGKSA-N 309.479 2.485 0 40 DEAB CCCCO[C@H](C)C(=O)N[C@H](C)[C@H](O)c1ccc(OC)cc1 90485475 YGELRVHBOIXCSI-IOASZLSFSA-N 309.406 2.439 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCCCn2ccnc2C)C12CCC2 95405298 PVCQLDUWCUVFBN-CABCVRRESA-N 320.437 2.229 0 40 DEAB C[C@H](C[C@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 95459912 RPDZCTJPLDCGDH-OCCSQVGLSA-N 309.387 2.211 0 40 DEAB CC[C@@H]1CN(C(=O)Cn2ccc(-c3cccs3)n2)CCO1 69349105 CVEGBSQQZREMPJ-GFCCVEGCSA-N 305.403 2.249 0 40 DEAB Cc1cc(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)[nH]n1 69564963 YZZGEYHDFCVCDW-UHFFFAOYSA-N 318.402 2.027 0 40 DEAB O=C(Cc1cc(Cl)ccc1Cl)NCCCn1cncn1 69515849 WUNMGMDKNQQRSQ-UHFFFAOYSA-N 313.188 2.334 0 40 DEAB CCc1noc([C@H](C)N2CCN([C@@H](C)c3cccnc3)CC2)n1 69535619 UVAHQTZMRNKWBN-KBPBESRZSA-N 315.421 2.467 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2c2cnn(C)c2)cs1 69698952 XUICEFSGAOZPMR-ZDUSSCGKSA-N 304.419 2.345 0 40 DEAB CCn1cc(CN2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)cn1 69709239 JCWCGBIZWBBQQW-MRXNPFEDSA-N 316.449 2.294 0 40 DEAB O=C(NC1CCCCC1)N1CCC(CCN2CCOCC2)CC1 69738638 HILZYWLWNHFFDJ-UHFFFAOYSA-N 323.481 2.463 0 40 DEAB COc1ccc(-c2noc(-c3ccc(-n4ccnc4)nc3)n2)cn1 72274960 JVZGIHHKLVOVHG-UHFFFAOYSA-N 320.312 2.388 0 40 DEAB C[C@H](NC(=O)N[C@H]1CCC[C@@H](C)C1)C(=O)NCc1ccco1 72276871 HMQUZIGMGWHIHE-AGIUHOORSA-N 307.394 2.162 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)COc1ccc(F)cc1 72296795 YHIANFDUMNEMFA-NSHDSACASA-N 319.380 2.302 0 40 DEAB C[C@H](CO)S(=O)(=O)CCCc1ccccc1Br 97085304 CKTSPFCRVUMCJG-SNVBAGLBSA-N 321.236 2.177 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Nc2ccn(CC(F)(F)F)n2)on1 97148559 ZWXJCDVQWPXUCM-MRVPVSSYSA-N 317.271 2.181 0 40 DEAB C[C@@H](NC(=O)CN1CCn2ccnc2C1)c1cc2ccccc2o1 97201486 YPKYJILQIMXSCV-CYBMUJFWSA-N 324.384 2.322 0 40 DEAB C[C@@H](C(=O)NCC(=O)N(C)Cc1cccnc1)c1ccsc1 95399353 FWMJBBTYOLIAML-GFCCVEGCSA-N 317.414 2.021 0 40 DEAB COCCC1(CNC(=O)NC[C@H]2CCCN(C)C2)CCCC1 89375297 MMXQMOYBZCIQIK-OAHLLOKOSA-N 311.470 2.224 0 40 DEAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc(-c3ccco3)n2C)n1 89599328 KRCVYWWCTSUCFF-SECBINFHSA-N 317.374 2.320 0 40 DEAB Cc1ccccc1[C@@H](O)CNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 89689179 AVSLZZAUEQXAAV-SJCJKPOMSA-N 315.417 2.363 0 40 DEAB O=C(Nc1cccc(F)c1)N1CC[C@H](CN2CCOCC2)C1 75497883 HXNQAGHYVDCEFT-CYBMUJFWSA-N 307.369 2.012 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCC2(CCOC)CC2)C12CCC2 89985753 GAXBIVCREVLDSD-ZIAGYGMSSA-N 310.438 2.450 0 40 DEAB Cc1[nH]ncc1C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1 76067889 ZRRWTOMDWQUEID-VIFPVBQESA-N 315.308 2.398 0 40 DEAB CC(=O)c1cn([C@@H](C)C(=O)N2CCOCC2)c2ccccc12 409198021 UUHJCBIJVOCYPX-LBPRGKRZSA-N 300.358 2.264 0 40 DEAB COc1ccn2c(C(=O)N[C@H]3C[C@H](OC)C34CCC4)cnc2c1 521030992 LWNRNZLOSPWGLJ-KBPBESRZSA-N 315.373 2.030 0 40 DEAB COc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[C@H](O)C2)cc1F 189838725 TZFOWIJYPVWQNP-LOWVWBTDSA-N 310.369 2.356 0 40 DEAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccncc1 76215572 ZUCSLVKYNGQUNP-MRXNPFEDSA-N 323.352 2.410 0 40 DEAB O=C(NC[C@]1(O)CCOC1)N[C@@H](CC1CCC1)c1ccccc1 183627371 CLJVPZXHHVTUIN-FUHWJXTLSA-N 318.417 2.369 0 40 DEAB Cc1nccn1CCCCN1CCOC[C@@H]1c1cccn1C 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321.417 2.348 0 40 DEAB CCCn1nccc1-c1nccnc1C[C@@H]1CCN(C(C)=O)C1 257207680 BISZQRTWUGHPNY-AWEZNQCLSA-N 313.405 2.161 0 40 DEAB O=C(CCF)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575404007 KZZKGDSVOUKKNR-AWEZNQCLSA-N 303.337 2.033 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@H](Cc1ccccc1)N(C)C 27584104 IGWKBBZGGKZIPN-MRXNPFEDSA-N 315.417 2.123 0 40 DEAB O=C(CC1=CCCCC1)N1CC(F)(F)C[C@@]2(CCNC2=O)C1 585093115 CPYSWQLLCOWQEH-HNNXBMFYSA-N 312.360 2.251 0 40 DEAB CC(=O)O[C@@H](c1ccccc1)c1nc(C2CCNCC2)no1 71790442 DTIFIXAOCRLHHS-AWEZNQCLSA-N 301.346 2.189 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(Cl)ccn1 36819523 YMKHAGMPMNIMOG-ZDUSSCGKSA-N 304.733 2.161 0 40 DEAB CN(Cc1cccc(Cl)c1)C(=O)NCc1nnc2n1CCC2 55077798 HCHUPRLKVSULSY-UHFFFAOYSA-N 319.796 2.219 0 40 DEAB CCc1nc2ccccc2n1CC(=O)N1CCO[C@@H]2CCC[C@H]21 56193523 VJFMEYDPRQMDKH-HZPDHXFCSA-N 313.401 2.379 0 40 DEAB COc1ccccc1C(=O)N1CCC(N2CC[C@H](OC)C2)CC1 1565521905 DTZUDCOQXHFYRI-HNNXBMFYSA-N 318.417 2.021 0 40 DEAB CO[C@@]1(C)C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)C1(C)C 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COc1cccc(C(=O)N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)c1 1888863810 WZHYBAVKWFBVPS-GJZGRUSLSA-N 300.402 2.252 0 40 DEAB O=C(NCc1cccs1)C(=O)NCC1(c2ccsc2)CC1 1888918174 QMWPHVKFNBWYTJ-UHFFFAOYSA-N 320.439 2.274 0 40 DEAB Cc1cc(N2C[C@H]3CN(Cc4ccccc4F)C[C@@H]3C2)ncn1 2087130914 FEJVRQWLXZWFEK-HZPDHXFCSA-N 312.392 2.492 0 40 DEAB Nc1nonc1-c1noc(-c2cccc(Br)c2)n1 32620 DOKCZVVTWPEXKP-UHFFFAOYSA-N 308.095 2.131 0 40 DEAB O=c1oc2cc(O)ccc2cc1S(=O)(=O)c1ccccc1 2687255 WMNPQFZDBBSKIO-UHFFFAOYSA-N 302.307 2.331 0 40 DEAB O=S(=O)(Cc1ccc(Cl)cc1)n1nnc2ccccc21 4740529 SEHNEIZTZUPEJG-UHFFFAOYSA-N 307.762 2.463 0 40 DEAB CCOC(=O)NC(=O)CSc1nc2ccc(OCC)cc2[nH]1 5133068 FBXMCYKFOJUCNQ-UHFFFAOYSA-N 323.374 2.326 0 40 DEAB CC(C)[C@H](Cn1cncn1)NC(=O)c1nc2ccccc2s1 575615683 GDPLKFMHCCRANY-LBPRGKRZSA-N 315.402 2.342 0 40 DEAB Cc1cccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)n1 40091467 REAXELAXPIPXKX-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB O=C(CN1CCOc2ccccc21)NCCc1cccs1 30594464 KYSVDNINUHFRRT-UHFFFAOYSA-N 302.399 2.306 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)C(=O)Nc1cccc(O)c1 40286688 JRUOGQJFBCSWAY-CYBMUJFWSA-N 312.369 2.468 0 40 DEAB Cc1cc(NC(=O)CN(C)Cc2cn3c(C)cccc3n2)no1 51593656 YOMQHSRVGZHWPH-UHFFFAOYSA-N 313.361 2.010 0 40 DEAB Cc1ccc(-n2ncc3c(N4CCOCC4)ncnc32)cc1C 20661950 XSSSZFQLMMGHHK-UHFFFAOYSA-N 309.373 2.269 0 40 DEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cccc(OC(F)F)c1 101722335 HGRUVSWMNLCJIK-JTQLQIEISA-N 323.295 2.481 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)N1CCc2ccccc21 21273071 GLPZCOIPHFYSAY-UHFFFAOYSA-N 301.367 2.293 0 40 DEAB O=C(CCn1ccnn1)Nc1cccc(OC(F)(F)F)c1 32753594 ZPJKBFJFOIQBFU-UHFFFAOYSA-N 300.240 2.206 0 40 DEAB CC[C@]1(C)NC(=O)N(NC(=O)c2oc3ccccc3c2C)C1=O 32997820 GCAXHSAOTRGFIO-INIZCTEOSA-N 315.329 2.107 0 40 DEAB COc1ccc(Cn2c(=O)c(=O)oc3ccccc32)cc1OC 818801 HPCYHVPQMGXQJO-UHFFFAOYSA-N 313.309 2.020 0 40 DEAB O=C(Nc1cccnc1N1CCOCC1)N1CCCCCC1 54481689 WARMWTHMXUIMDC-UHFFFAOYSA-N 304.394 2.326 0 40 DEAB NC(=O)[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 54704477 TYRSADQNGSLKKY-OWCLPIDISA-N 312.344 2.272 0 40 DEAB O=C(NC1CC1)C1CCN(C(=O)c2ccccc2Cl)CC1 780446 YIXVYBFENAFOEB-UHFFFAOYSA-N 306.793 2.471 0 40 DEAB Cc1ccc(Cn2cnc3sc(C(N)=O)c(C)c3c2=O)cc1 149884 MCRSUHOIJRVBFF-UHFFFAOYSA-N 313.382 2.222 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 40523363 MENLNMNTDGFZMQ-GDBMZVCRSA-N 320.433 2.201 0 40 DEAB Cc1occc1C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 40535999 ITNPCSSFJUTVAO-LBPRGKRZSA-N 315.373 2.138 0 40 DEAB CCCCCNC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 6596942 PUBUOQBLTBBDEJ-UHFFFAOYSA-N 312.435 2.067 0 40 DEAB COc1ccccc1CC(=O)NCc1ccc(-n2ccnc2)nc1 29218753 ZERXBPOVOPQILO-UHFFFAOYSA-N 322.368 2.135 0 40 DEAB C/N=c1\sc2ccccc2n1C[C@@H](O)COCc1ccco1 18067001 JZUZUUAVULQWEX-WGKGOADCSA-N 318.398 2.404 0 40 DEAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCC(=O)c1ccccc1 101696455 XFUVBHSAVQVDEC-UGQVUOCMSA-N 316.353 2.248 0 40 DEAB Cc1ccc(Cn2ccs/c2=N\C(=O)Cn2cccn2)cc1 32491803 FODXLHHLSZQZDM-VLGSPTGOSA-N 312.398 2.230 0 40 DEAB CC(C)(C)n1nc(C(=O)N2CCN(C3CC3)CC2)cc1C1CC1 96402387 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CCNC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl 49058111 ORZZFJOTLYFZGC-MRVPVSSYSA-N 307.177 2.052 0 40 DEAB CCNC(=O)c1nnsc1[S@@](=O)c1ccc(Cl)cc1 4051881 PXAJDEFCXIEJBV-LJQANCHMSA-N 315.807 2.108 0 40 DEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccccc1C 4157292 ZXUGUDUGTMBHNG-FSDCSDTHSA-N 324.380 2.113 0 40 DEAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2c(C(N)=O)oc3ccccc23)cn1 69159785 PHZCCGHJPDFGRM-NEPJUHHUSA-N 324.340 2.007 0 40 DEAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 6123655 KVVXYJFMAJFMQA-JTQLQIEISA-N 302.305 2.331 0 40 DEAB Cc1cccc(C2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCCC2)c1 65586818 XVOLYMYYACPZGW-HNNXBMFYSA-N 321.442 2.110 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc2ccccc12 65514640 SXFYZRMAXSGEEP-XJKSGUPXSA-N 310.397 2.495 0 40 DEAB NC(=O)Cc1ccccc1NC(=O)C(=O)c1ccc2c(c1)CCC2 65625525 GQRAFMVBAXSFRK-UHFFFAOYSA-N 322.364 2.025 0 40 DEAB CC(C)NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](C)CC2)C1 69508753 PJXJFBLZGWCREZ-LSDHHAIUSA-N 309.454 2.465 0 40 DEAB O=C(CCC(=O)NCc1ccco1)NCc1ccc(F)cc1 4700201 VCRGOPHRUYKDRE-UHFFFAOYSA-N 304.321 2.132 0 40 DEAB O=C(Nc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1 4833598 VGXSWBPKWNEUTC-GFCCVEGCSA-N 304.371 2.148 0 40 DEAB CC(C)NC(=O)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 17808357 IIKJCODSGKSLKE-UHFFFAOYSA-N 312.797 2.138 0 40 DEAB C[C@H](CS(C)(=O)=O)N(C)C(=O)c1ccc(Cl)c(Cl)c1 69841161 QKQQJSITMJETID-MRVPVSSYSA-N 324.229 2.499 0 40 DEAB Cc1n[nH]c2ncc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc12 71821234 PSHVSORGYQYPNU-UONOGXRCSA-N 300.362 2.050 0 40 DEAB COc1ccc(-c2nc(C(=O)O[C@H]3CCOC3=O)cs2)cc1 19175822 LWCRVZOOPQNTDD-LBPRGKRZSA-N 319.338 2.291 0 40 DEAB CC(C)COCCNC(=O)c1ccc(N2CCOCC2)c(F)c1 71882684 ZWIJGLBHQDOVOG-UHFFFAOYSA-N 324.396 2.065 0 40 DEAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2ccc(=O)[nH]c2)cc1 71846892 APSWKDYOIUZVCA-HEHNFIMWSA-N 319.364 2.274 0 40 DEAB C[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)CN1CCCC1=O 71833121 UPJAQVNPAXFNMG-ZDUSSCGKSA-N 318.392 2.232 0 40 DEAB Cc1noc(COC(=O)c2cn(C)nc2-c2cccs2)n1 93286476 WDXTZVPJBFJWIN-UHFFFAOYSA-N 304.331 2.197 0 40 DEAB Cn1c(CO)cnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 76092700 RKHCXHSTFSJLBQ-CQSZACIVSA-N 317.414 2.024 0 40 DEAB Cc1ccc(O[C@H](C)CNC(=O)c2cc(C(N)=O)cs2)cc1 76066751 VLJNNELSIDAOFW-LLVKDONJSA-N 318.398 2.353 0 40 DEAB CSCC(=O)N1CCCN(C(=O)CSC)c2ccccc21 78001158 LAXFXJABKOLKHP-UHFFFAOYSA-N 324.471 2.482 0 40 DEAB COc1c([C@H]2CCCN2C(=O)c2cc(C)no2)c(C)nn1C 72234311 AGCPCZUGFPWKEP-LLVKDONJSA-N 304.350 2.011 0 40 DEAB O=C(NCc1ccco1)N1CCO[C@@H](Cc2ccccc2)C1 97035080 WJHRYJGXEJTRPM-INIZCTEOSA-N 300.358 2.433 0 40 DEAB CN(C)C1(CNCc2cn(C)nc2-c2ccncc2)CCCC1 97159691 PDXZQGSBTGIUST-UHFFFAOYSA-N 313.449 2.446 0 40 DEAB CCCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cn1 97212243 FTHMFIPDRJCROO-UHFFFAOYSA-N 319.405 2.097 0 40 DEAB C[C@@H](C1CC1)N(C(=O)Cn1ccnc1-c1cnccn1)C1CC1 95349279 VKNLBEGZTWHPJB-LBPRGKRZSA-N 311.389 2.130 0 40 DEAB Cn1cc(C(=O)N(Cc2ccc(O)cc2)CC2CC2)ccc1=O 95427652 LRNRCKPUEUHCGV-UHFFFAOYSA-N 312.369 2.143 0 40 DEAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1n[nH]c(C)n1 95963609 FTSVFEJSUDCTDO-NSHDSACASA-N 308.769 2.240 0 40 DEAB CN[C@H]1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 95971469 RYTMJWRTFQGKRT-HNNXBMFYSA-N 320.396 2.459 0 40 DEAB O=C(CC[C@H]1CCCCO1)NC[C@H](Cc1ccccc1)C(=O)O 95970547 CSTOTMJHHPYEMH-JKSUJKDBSA-N 319.401 2.395 0 40 DEAB CN(C)Cc1cc(C[C@@H]2C[C@H](NC(=O)C3CC3)C2(C)C)no1 67889774 GEQWRIHPWJQEED-DOMZBBRYSA-N 305.422 2.220 0 40 DEAB biogenic,in-vitro Cc1ccsc1[C@H](CO)NC(=O)c1cnc2ccccn12 552377575 KXNNSYHFKMELRH-NSHDSACASA-N 301.371 2.168 0 40 DEAB CCn1ccc(NC(=O)c2cc(C3CC3)nc3c2cnn3C)n1 36614271 UPJVQFGTFOXCAV-UHFFFAOYSA-N 310.361 2.314 0 40 DEAB COc1ccc(-c2nnc(SC[C@@H]3COCO3)o2)cc1OC 521394986 LUMVLHXZBIZEIB-JTQLQIEISA-N 324.358 2.219 0 40 DEAB CCCCOc1cc(S(=O)(=O)NCCOC)ccc1Cl 31904007 YEPDTRXAPMRTDU-UHFFFAOYSA-N 321.826 2.444 0 40 DEAB O=C(c1cnc(NCc2ccco2)c(Cl)c1)N1CCOCC1 78874056 NNJDPZXDRUNGLO-UHFFFAOYSA-N 321.764 2.413 0 40 DEAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)(C)C 217412471 LWIMBTKIFBXNQY-UHFFFAOYSA-N 314.407 2.284 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1C 36610976 ITXUUXXQPFGPNN-KBPBESRZSA-N 321.421 2.369 0 40 DEAB CCN(CCN)C[C@@H]1CCCN1C(=O)OCc1ccccc1 79391777 MLAIDEXCSDRSAA-INIZCTEOSA-N 305.422 2.068 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H]1C[C@@H]1c1ccccc1 79098520 QASCZAWCKBPWTD-CFVMTHIKSA-N 324.446 2.007 0 40 DEAB Cc1ccc2nc(CNC(=O)[C@@H]3CCc4cnc(C)n4C3)[nH]c2c1 565073161 DEMOPZUTTJAKCP-CYBMUJFWSA-N 323.400 2.255 0 40 DEAB CC[C@](NC(=O)c1c(Cl)cnn1C)(C(=O)O)c1ccccc1 566506402 URWIYYPXJZBNLX-OAHLLOKOSA-N 321.764 2.193 0 40 DEAB O=C(O)c1csc(NC(=O)[C@H]2COc3ccccc3O2)c1 571597037 BXCODYMONVIDSU-LLVKDONJSA-N 305.311 2.225 0 40 DEAB COC(=O)[C@H](C)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 192075855 HUZFMPDTHUBDCK-AQUOVQTQSA-N 301.745 2.460 0 40 DEAB COC(=O)c1cccc(NC(=O)NCCn2cccc2)c1C 96460433 ATQMEGDPNQDWQR-UHFFFAOYSA-N 301.346 2.405 0 40 DEAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 96056844 KBUNJFBMDPOTIG-NVXWUHKLSA-N 304.390 2.129 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccoc1)C2 96044909 LMENKWNRQBLHPD-CQSZACIVSA-N 315.373 2.179 0 40 DEAB O=C(Cc1ccsc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108732 OZVFLPIRSNUSSU-NVXWUHKLSA-N 321.442 2.192 0 40 DEAB CN(C)c1ccc(C(=O)OCc2ccccc2C(N)=O)c(F)c1 96483771 LISJFTCOMUVFOP-UHFFFAOYSA-N 316.332 2.348 0 40 DEAB CN(C)[C@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 96158627 SUUHEBCYMKSFJN-OAHLLOKOSA-N 306.381 2.151 0 40 DEAB O=C(OCCCc1ccccc1)c1ccnc(-n2cncn2)c1 98094739 PSTJLOXQGNAEHE-UHFFFAOYSA-N 308.341 2.452 0 40 DEAB CC(C)CN1CCC[C@H]1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O 245338671 NSXURNQRVXPMTG-ARFHVFGLSA-N 316.511 2.052 0 40 DEAB Cc1cccnc1CN1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257323049 WIOFWYOEJPDMNF-IAGOWNOFSA-N 302.349 2.153 0 40 DEAB N=C(NNC1=Nc2cccc3c2[C@H](CCC3)N1)c1ccccn1 255187086 BFHDYWMTCZPNEI-ZDUSSCGKSA-N 306.373 2.169 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)c3ccncc3)CCN2C)cc1 257201243 AGWCBJMPVNACJR-KRWDZBQOSA-N 311.385 2.219 0 40 DEAB Nc1cccc(C(=O)N2CCNC[C@@H]2c2ccccc2Cl)n1 261957352 MBYMSORNOAXZQJ-CQSZACIVSA-N 316.792 2.104 0 40 DEAB CC[C@@](C)(NC(=O)c1ccc(-n2cccn2)c(F)c1)C(=O)OC 69601774 DRTIHPQMRQBOEA-MRXNPFEDSA-N 319.336 2.083 0 40 DEAB CC[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CC1 12145359 OFTYCOOYUYUBMW-LBPRGKRZSA-N 317.414 2.277 0 40 DEAB O=c1[nH]c(-c2cccnc2)nc2c1CCN(Cc1ccccc1)C2 12666143 AXGUMEUWJRELEK-UHFFFAOYSA-N 318.380 2.390 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1ccncc1 13226897 ZKOYZCDSUUEVRG-HIFRSBDPSA-N 319.368 2.335 0 40 DEAB CCCC(=O)N[C@@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C 19501727 AOGNLAJUAONOAS-MRXNPFEDSA-N 314.389 2.445 0 40 DEAB CNc1nnc(SCc2cc(=O)n3c(C)cccc3n2)s1 7076574 QQQMREKNOITWHC-UHFFFAOYSA-N 319.415 2.188 0 40 DEAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)c1ccncc1 1888853915 UYTKHSKGUPZYJF-UHFFFAOYSA-N 322.290 2.114 0 40 DEAB Brc1cnc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)nc1 1889064727 RWIQDVBTYGYGNE-QWRGUYRKSA-N 323.238 2.160 0 40 DEAB O=C(N[C@H]1CCCN(c2ncnc3ccsc23)C1)C1CC1 1058097289 XZHZAHUYFCVLRJ-NSHDSACASA-N 302.403 2.186 0 40 DEAB Cn1cnc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)c1 575611843 YETFVQXJKUZRAV-UHFFFAOYSA-N 323.399 2.220 0 40 DEAB Cc1cc(C(=O)NCc2nccnc2-c2ccsc2)no1 575618289 GLLALMLAKBYWHR-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(CCF)CC1 390830679 MQFACLBGFXQONJ-UHFFFAOYSA-N 319.424 2.404 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)[C@H]1CCOC1 585147931 IJPJFAWWIDESAL-LSDHHAIUSA-N 301.342 2.133 0 40 DEAB CNC(=O)NC(=O)CCSCc1cc(Cl)ccc1OC 69698235 LWGBEYYXNLYIAZ-UHFFFAOYSA-N 316.810 2.428 0 40 DEAB C[C@@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1nnc2ccccn12 28499616 HOHHDWYPPIQJER-SNVBAGLBSA-N 322.328 2.203 0 40 DEAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CC(N)=O 28730105 FZPZOCRVZYFBTA-UHFFFAOYSA-N 320.824 2.119 0 40 DEAB Cc1cnc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cn1 31268042 KLQUTANVZGOFFX-KRWDZBQOSA-N 311.385 2.371 0 40 DEAB COc1cc(NC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1 3909653 DDYDNRWDELFZED-INIZCTEOSA-N 315.325 2.482 0 40 DEAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)N1CCCC1 6557800 OLJYHLQTPPWIAR-UHFFFAOYSA-N 313.386 2.221 0 40 DEAB Cc1ccc(OCCC(=O)N[C@H](C)C(=O)NC(C)(C)C)c(C)c1 67699983 JUYBLWIZNCJEQM-CQSZACIVSA-N 320.433 2.492 0 40 DEAB O=C(N[C@H]1CCc2ccc(F)cc21)N1CC[C@@H](N2CC=CC2)C1 101387754 RXAIGYVYBQSQOM-WBVHZDCISA-N 315.392 2.469 0 40 DEAB C=Cn1nnc(NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 10119584 WFDUBICXPLXHNX-UHFFFAOYSA-N 314.132 2.341 0 40 DEAB CC(C)CC(=O)NCCn1nc(-c2cccs2)ccc1=O 8954797 JIUQQHBLPHGPNJ-UHFFFAOYSA-N 305.403 2.134 0 40 DEAB Cc1occc1C(=O)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 52940652 LKYUNJPHZYCTTH-JTQLQIEISA-N 322.386 2.451 0 40 DEAB COc1ccccc1O[C@H](C)CNC(=O)[C@@H]1CCCCN1C 96431676 ATXSSBKBXZEFBX-KGLIPLIRSA-N 306.406 2.063 0 40 DEAB CC(C)N1C[C@H](C(=O)NCCCCc2ccccc2)CC1=O 170196920 IYCISKKILDXFHL-MRXNPFEDSA-N 302.418 2.382 0 40 DEAB COCc1cc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)no1 80473441 MITXPEXOZMSGGG-BBRMVZONSA-N 316.357 2.329 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 7471530 AAUYYMCYCHLCCY-OAHLLOKOSA-N 300.402 2.402 0 40 DEAB COc1ccc(CNC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1OC 53752185 YRPMQVSHJREHMK-UONOGXRCSA-N 320.389 2.167 0 40 DEAB S=C(NC[C@H]1CCCO1)Nc1ccc(Br)cn1 2767287 IYYHBMPAMYUMBI-SECBINFHSA-N 316.224 2.310 0 40 DEAB CN(C)C1(CNC(=O)NCCc2cccc(O)c2)CCCC1 69739500 WZPZHFQOMFWPPC-UHFFFAOYSA-N 305.422 2.108 0 40 DEAB C[C@@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2NC1=O 12226468 XAGCDXQUJQFIKP-NSHDSACASA-N 312.325 2.424 0 40 DEAB NC(=O)CC1CCN(C(=O)Nc2nc3ccccc3s2)CC1 46939171 FJULICKCSVJPOR-UHFFFAOYSA-N 318.402 2.416 0 40 DEAB O=c1oc(-c2cccs2)nn1CN(C[C@@H]1CCOC1)C1CC1 54495688 DROXMMCCTGXGBP-NSHDSACASA-N 321.402 2.023 0 40 DEAB COCc1cc(S(=O)(=O)c2ccc(Cl)cc2)nc(C)n1 1389094 ZHLICPRXYKVHSA-UHFFFAOYSA-N 312.778 2.418 0 40 DEAB COC(=O)c1ccc(CCNC(=O)Cc2csc(C)n2)cc1 25076418 RFZXGSDGHUELRW-UHFFFAOYSA-N 318.398 2.140 0 40 DEAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)sc2C1 25280332 PGQSXAJQWIHKRH-ZJUUUORDSA-N 319.430 2.217 0 40 DEAB CCC(=O)N1CC[C@H](N[C@H](C)c2nc(CC)no2)[C@H](CC)C1 107323684 NCKXJDBNIRLZBN-UPJWGTAASA-N 308.426 2.320 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N(C)C2CCCC2)cc1 20455676 VBCOMUMCIXLCPF-UHFFFAOYSA-N 311.403 2.177 0 40 DEAB Cc1ccc(C(=O)C2CCN(C(=O)c3nccnc3N)CC2)cc1 58392064 XKBULGJKGBLPPQ-UHFFFAOYSA-N 324.384 2.102 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)CNC(=O)NCc2ccccc2)[C@@H]1C 12609143 SMJQKSFHWHYRLP-IIAWOOMASA-N 317.433 2.427 0 40 DEAB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc(F)cc1Cl 3344186 VPDKGOPIHOVQHO-LURJTMIESA-N 315.761 2.122 0 40 DEAB NC(=O)[C@@H]1CCCCN1C(=O)CCCc1c[nH]c2ccccc12 7737146 ODMHPZJJFXOFRD-INIZCTEOSA-N 313.401 2.357 0 40 DEAB C[C@H]1CN(C(=O)NC[C@H]2COc3ccccc3O2)CC(C)(C)O1 68463000 CMPUFYDJKGWZIK-STQMWFEESA-N 320.389 2.035 0 40 DEAB O=C(CCc1nc2ccccc2n1-c1ccccc1)NCCO 6315833 XDDJCAUALSHYQL-UHFFFAOYSA-N 309.369 2.067 0 40 DEAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C)C1CC1 8208571 STECVCAIMIAOPQ-VIFPVBQESA-N 306.391 2.082 0 40 DEAB Cc1ccc(-c2noc(CN3CCC[C@H]3C(=O)N(C)C)n2)cc1 14161137 CEWXQDSORGCICH-AWEZNQCLSA-N 314.389 2.098 0 40 DEAB Cc1occc1C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1 69873749 NSYAEYSMDBQCST-SNVBAGLBSA-N 322.386 2.069 0 40 DEAB O=C(CN1CCO[C@H](c2cccc(F)c2)C1)Nc1nccs1 66848236 QPJJNLHRRYEBDV-ZDUSSCGKSA-N 321.377 2.294 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)c2sccc2C(C)C)CC1 69951587 PMJKMJRETMDNRU-CYBMUJFWSA-N 310.463 2.400 0 40 DEAB FC(F)CN1CCN(Cc2cccc(-n3cccn3)c2)CC1 92586438 XRPQHXGHVAKDQX-UHFFFAOYSA-N 306.360 2.255 0 40 DEAB CN(C)C(=O)CC1CCN(C(=O)NC[C@@H]2CC=CCC2)CC1 96004606 VCIVTCRXTNISMG-OAHLLOKOSA-N 307.438 2.243 0 40 DEAB CCO[C@@H](C)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 71908857 HDIJLYRSGMCAPV-VIFPVBQESA-N 309.753 2.431 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2c(C)nn(C)c2C)on1 75132337 FPXHKPXZMRLHEP-CYBMUJFWSA-N 317.393 2.109 0 40 DEAB CCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@H]1c1ccco1)C2 75129172 GGEWSCAFIAPLSP-OLZOCXBDSA-N 312.373 2.190 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3cnccn3)C2)no1 72232251 BGPATTVGEDCMMC-LLVKDONJSA-N 301.350 2.003 0 40 DEAB O=C(NCCOC1CCCCCC1)c1ccc2[nH]c(=O)[nH]c2c1 72287919 GAMCPAPLHUJKBX-UHFFFAOYSA-N 317.389 2.325 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H]1Cn1cccn1 72233940 HTBWZUIVBAXIFA-NSHDSACASA-N 308.769 2.067 0 40 DEAB Cc1ccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1C 72272227 PTIXBGNHJXHLBH-OAHLLOKOSA-N 314.389 2.137 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)s1 28226140 VVKWNOIWDADVNL-ZJUUUORDSA-N 324.402 2.239 0 40 DEAB CC(=O)NCC(=O)N(CC(C)C)[C@H]1CCCc2cccnc21 97097140 AKNBOTMRFYCIOE-HNNXBMFYSA-N 303.406 2.080 0 40 DEAB Cc1nnc(-c2ccccc2C(=O)OCCc2cnn(C)c2)o1 97056050 MGHKTTKLOLFAHO-UHFFFAOYSA-N 312.329 2.178 0 40 DEAB NC(=O)C1(CNC2CC(c3ccc(Cl)cc3)C2)CCOCC1 97108507 OTTULCCVMYCTEN-UHFFFAOYSA-N 322.836 2.458 0 40 DEAB CN1CCN(CCc2nc(-c3ccc4cc[nH]c4c3)no2)CC1 72403102 XJVQRHRUHFKPJE-UHFFFAOYSA-N 311.389 2.008 0 40 DEAB CC(C)(C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408628282 VXPFCKDGMFPPIX-UHFFFAOYSA-N 312.435 2.148 0 40 DEAB CC(=O)NC[C@@H](C)OC(=O)c1ccc(F)cc1Br 95436885 YNTDZQVLLCIXGX-SSDOTTSWSA-N 318.142 2.270 0 40 DEAB Cc1nc(SCc2n[nH]c(=O)[nH]2)c2c3c(sc2n1)CCC3 95459934 QPAOMBFZDCVCLJ-UHFFFAOYSA-N 319.415 2.192 0 40 DEAB Cn1cc(N2CCC[C@@H](Sc3ccccc3O)C2=O)cn1 95406451 HRFKDROJTUSLMX-CQSZACIVSA-N 303.387 2.413 0 40 DEAB CCCC(O)(CCC)CC(=O)NCc1ccnc(N(C)C)c1 84740393 FYEOTOYDEBIBEU-UHFFFAOYSA-N 307.438 2.485 0 40 DEAB Cn1cc(C(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc2c1=O 79188942 RCIQEGZIHZDUPJ-GFCCVEGCSA-N 314.385 2.226 0 40 DEAB biogenic CCC[C@@H]1CCc2ccccc2N1CC(=O)N1CCOCC1 79106850 BPDPAPFFHZBGCJ-MRXNPFEDSA-N 302.418 2.467 0 40 DEAB O=C(N=c1[nH]cc[nH]1)c1cnn(-c2ccccc2)c1-n1cccc1 79492044 NTSPVOUYQMCKFC-UHFFFAOYSA-N 318.340 2.060 0 40 DEAB COc1cc(Br)ccc1[C@@H](C)NC(=O)CN(C)C 189145235 DUFDHNWQLFJBHF-SECBINFHSA-N 315.211 2.197 0 40 DEAB O=C(O)Cc1nc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 35655483 RFBNGAMLONOZQW-UHFFFAOYSA-N 312.207 2.030 0 40 DEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)/C=C\c1ccccc1 36685786 HMIGKSDMRNMBOZ-WFTPILKQSA-N 306.365 2.404 0 40 DEAB CC[C@@]1(C)CN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CCO1 188149834 XPXUYSLMSUIKBW-SJCJKPOMSA-N 322.453 2.178 0 40 DEAB CC(C)c1noc(CN2CC[C@H]3CC[C@@H](C2)N3C(=O)C2CC2)n1 1039316864 QGUPTDQIACOEAV-KGLIPLIRSA-N 318.421 2.168 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N(CC(F)F)C2CC2)C1 77742825 ALIFMSFQJJUAHG-SNVBAGLBSA-N 318.364 2.500 0 40 DEAB CCc1cnc(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)s1 74843226 FYMCTAHYQAPAAE-HIFRSBDPSA-N 317.414 2.163 0 40 DEAB Cc1nc(CC(=O)N2CCC[C@@H](c3n[nH]cc3C)C2)cs1 72385914 RVKGESUEQDVFIT-GFCCVEGCSA-N 304.419 2.432 0 40 DEAB COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2)cc1 35485066 ULEQQBDXLPQOJP-SFHVURJKSA-N 310.397 2.068 0 40 DEAB biogenic CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 33340732 YMCLAYSVBWFROW-XYOKQWHBSA-N 321.354 2.295 0 40 DEAB Cc1cc(C)cc(CCNC(=O)NCCCc2nc(C)no2)c1 77562424 MMBCGFVSQVMEHW-UHFFFAOYSA-N 316.405 2.469 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@](C)(O)[C@@H](C)CC)cc1 77844503 XQKZMIOHQDBTSP-SJCJKPOMSA-N 306.406 2.101 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccc(-n2ccnc2)cc1 81700855 IXARMLPVCMEJOG-QZTJIDSGSA-N 319.364 2.260 0 40 DEAB CSc1ncccc1C(=O)NC[C@@](O)(c1ccco1)C1CC1 85436413 RJFPNROGELCLSV-INIZCTEOSA-N 318.398 2.424 0 40 DEAB Cc1ncccc1NC(=O)[C@H](C)N[C@H]1CCOC2(CCC2)C1 570369209 OJDQSRAFGJRWCV-KBPBESRZSA-N 303.406 2.408 0 40 DEAB CC[C@H]1CN(C)c2ccccc2CN1CCCS(C)(=O)=O 88562117 DYTHEZOMHWTHAW-HNNXBMFYSA-N 310.463 2.152 0 40 DEAB O=C1CC[C@H](C(=O)N2CCC(n3ccnc3)CC2)n2cccc21 329825898 CCNKYIFHMSUJAW-OAHLLOKOSA-N 312.373 2.066 0 40 DEAB COC(=O)C1CCN(C(=O)CCc2ccc(OC)c(C)c2)CC1 224198619 HYQMJOHNZYAXMK-UHFFFAOYSA-N 319.401 2.348 0 40 DEAB CC(C)Oc1cccc([C@@H](O)CNC(=O)NCC(F)(F)F)c1 96408720 FKQJSFBGAQIZMJ-LBPRGKRZSA-N 320.311 2.369 0 40 DEAB CC(C)c1nnc2n1C[C@@H](N[C@@H](C)c1nc(C3CC3)no1)CC2 97199477 WPRNDZHHNORUDJ-JQWIXIFHSA-N 316.409 2.328 0 40 DEAB CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C3CCCC3)C2)O1 96208414 NJMFXMAAKBTFFQ-DOTOQJQBSA-N 309.454 2.214 0 40 DEAB Cc1nc([C@@H]2CN(CCOc3ccc(Cl)cc3)CCO2)no1 95958080 STEDKRLKGOZYAP-AWEZNQCLSA-N 323.780 2.484 0 40 DEAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NC3CC3)ccc21 96183043 GVASDPCPLLPATR-UHFFFAOYSA-N 322.430 2.162 0 40 DEAB COCC[C@@H](Cc1cccc(Br)c1)C(=O)NOC 96420641 CBCKGRKDPRYYST-NSHDSACASA-N 316.195 2.322 0 40 DEAB c1cncc(N2CCOC[C@]3(CCCN(CC4CC4)C3)C2)c1 96049577 XFJYGRCMGSTHQW-SFHVURJKSA-N 301.434 2.410 0 40 DEAB C[C@@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 95405990 QXLUJXJHCXZJQV-NWDGAFQWSA-N 309.431 2.033 0 40 DEAB O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3cccs3)C[C@H]21 96058282 NSEOJXIVYNSXHM-OWCLPIDISA-N 320.458 2.254 0 40 DEAB CC[C@H](NC(=O)N1CCOC[C@@H]1C[C@H](C)O)c1cccs1 248767365 XIXHIAQZESSMSQ-AVGNSLFASA-N 312.435 2.381 0 40 DEAB c1ccc(OCCN2CCOC[C@H]2CCc2cnccn2)cc1 257215854 CRYFPAKUYWLCAM-QGZVFWFLSA-N 313.401 2.189 0 40 DEAB O=C(c1ccc2nccnc2c1)N1[C@H]2CC[C@H]1c1cncnc1C2 252570624 WZDRHUNUCHFCNT-SJCJKPOMSA-N 317.352 2.322 0 40 DEAB Cc1onc(C(C)C)c1C(=O)N1CCC2(CC1)OCCC[C@H]2O 257321863 WDPKBXBUJJXZKW-CYBMUJFWSA-N 322.405 2.253 0 40 DEAB C[C@H](C(=O)O)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 263073210 GXOZBUURHRMIOQ-JTQLQIEISA-N 323.776 2.482 0 40 DEAB CN(C(=O)c1cccc(OC(F)(F)F)c1)[C@@H](CN)C1CC1 261790715 XTHRRIPPHGQXBI-LBPRGKRZSA-N 302.296 2.395 0 40 DEAB O=C(c1ncccn1)N1CCC(Oc2ccncc2Cl)CC1 390827404 XLVOVMCRBNYWOQ-UHFFFAOYSA-N 318.764 2.209 0 40 DEAB CC1(C)CCN(C(=O)N[C@H]2CC[S@@](=O)C2)CC(C)(C)C1 685938905 AGUKYKSAQLYCFQ-FKIZINRSSA-N 300.468 2.365 0 40 DEAB CN(Cc1ccc(Br)o1)c1ncnc2nc[nH]c12 48559255 YBBBCAVXEDCWAX-UHFFFAOYSA-N 308.139 2.345 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 62117315 QSMRMRFYMSCZMZ-ZETCQYMHSA-N 316.126 2.135 0 40 DEAB CCO[C@H](C)c1nc(CSc2nc(N)cc(N)n2)cs1 78829611 UGSQAAWRXIKLHW-SSDOTTSWSA-N 311.436 2.487 0 40 DEAB Cc1cc(N2CCOCC2)nc(SC(=O)c2ccco2)n1 5725062 OQVDFJDYSIUBMB-UHFFFAOYSA-N 305.359 2.147 0 40 DEAB COc1ccccc1/C=C/CN1CC[C@H]2NC(=O)CCC[C@H]21 19713244 NCYSUSNWSRCATJ-HIFBNBFRSA-N 300.402 2.451 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2)[C@@H](O)C1 114082920 ZDIVZXZUIPLHNP-GJZGRUSLSA-N 306.406 2.147 0 40 DEAB CN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CCCO3)ccc21 10971813 VEKJEFFLMNJDMC-CYBMUJFWSA-N 318.373 2.186 0 40 DEAB CCN(CC)C(=O)c1ccc(NC(=S)NCCOC)cc1 5939243 HAGBKZCKYWVHRP-UHFFFAOYSA-N 309.435 2.101 0 40 DEAB C[C@@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1 7284334 NGNRZNWSVRRHET-SSDOTTSWSA-N 316.329 2.220 0 40 DEAB CN(C)c1ccc(N2CCN(Cc3ccccc3F)CC2)nn1 1889118407 BZRVJDCOTWBSIF-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB C[C@H](OC(=O)c1ccco1)C(=O)N[C@@H]1CCOc2ccccc21 22497340 XUULWVKWVHRFAY-WCQYABFASA-N 315.325 2.465 0 40 DEAB CN1C(=O)COC[C@@H]2CCN(Cc3ccccc3Cl)C[C@@H]21 2037983978 MSZDAMXSEIUXOM-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(C(=O)c1cc(C3CC3)on1)C2 1146921934 RSBPCSKQNWVNAP-DOTOQJQBSA-N 320.389 2.210 0 40 DEAB CC(C)CN1C[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)C[C@@H]2C1=O 1565554956 LSAAGHHBLNLTKR-VKJFTORMSA-N 304.434 2.306 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c1 2710780 BVIRSVSZDVOOJL-VXGBXAGGSA-N 320.414 2.121 0 40 DEAB Cc1cn2c(=O)c(C(=O)Nc3ccccc3F)cnc2s1 4505732 ZGJNIMAVGMLZRI-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB COc1ccc(CC(=O)N2CC[C@@H](OCC3CC3)C2)cc1OC 390831727 UJUJSWVDQILKCF-OAHLLOKOSA-N 319.401 2.274 0 40 DEAB CC(C)(C)c1nnc(N2CC(c3nnc4ccccn34)C2)s1 2298207331 IJYRFAMYODEPMC-UHFFFAOYSA-N 314.418 2.482 0 40 DEAB CN(C)S(=O)(=O)c1ccccc1CNCc1ccccc1 30657858 KSLZRDRJQCNXMP-UHFFFAOYSA-N 304.415 2.227 0 40 DEAB O=C(c1ccccc1Cl)N(C1CC1)[C@H]1CCS(=O)(=O)C1 58581729 UICAAUSYFVUDFD-NSHDSACASA-N 313.806 2.132 0 40 DEAB COc1ccccc1C(=O)Nc1ccc(NC[C@@H](C)O)nc1 20381404 OVFCSICHFJRLFD-LLVKDONJSA-N 301.346 2.135 0 40 DEAB CCOC(=O)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccco2)N1 40566641 MQXVIECQDKYSBE-NTZNESFSSA-N 309.362 2.204 0 40 DEAB CCOCCCNC(=O)Nc1ccc(C(=O)NC(C)C)cc1 20534460 ZHPJMYPZUOCRDP-UHFFFAOYSA-N 307.394 2.373 0 40 DEAB COc1ccc(O[C@@H](C)C(=O)NC2CCN(C(C)C)CC2)cc1 20549623 GPOXVJBSSAGADL-AWEZNQCLSA-N 320.433 2.452 0 40 DEAB CCCn1nnnc1NCc1cc(Cl)c(OC)c(OC)c1 7263315 CZGRURJBLRMBKA-UHFFFAOYSA-N 311.773 2.366 0 40 DEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1C 28924423 AXONCPFYQCVLJA-SFHVURJKSA-N 323.396 2.332 0 40 DEAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccn1 10430958 JVJYIPBEJXUVSI-UHFFFAOYSA-N 303.749 2.494 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 41127147 VQSSZEXDOTWBCX-HNNXBMFYSA-N 324.380 2.066 0 40 DEAB CN1CC[C@H](NC(=O)NC2CC(c3cccc(Cl)c3)C2)C1=O 96440696 MDIWDKGBGWVAMK-UBHUBRDASA-N 321.808 2.116 0 40 DEAB CN(Cc1cccs1)C(=O)c1ccc(CNC(N)=O)cc1 33000335 CXTNHAMWJMWPNC-UHFFFAOYSA-N 303.387 2.189 0 40 DEAB CN1CCN(C(=O)c2ccc3[nH]nnc3c2)[C@H](c2ccccc2)C1 53286536 YITHUGJUTWJBSZ-KRWDZBQOSA-N 321.384 2.087 0 40 DEAB O=C(CCN(Cc1ccc(F)cc1F)C1CC1)N1CCOCC1 52076462 WBVUDDRUGMPGME-UHFFFAOYSA-N 324.371 2.178 0 40 DEAB CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1N 104091060 YZKQAIYGGQVNSJ-DIECFANBSA-N 302.418 2.417 0 40 DEAB NC(=O)[C@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 53945012 CCXMJNQBFLYTBC-OAHLLOKOSA-N 318.760 2.062 0 40 DEAB O=C(NCCOc1ccccc1F)c1ccc2c(c1)OCO2 23038863 OYYSBCSJQIAZQP-UHFFFAOYSA-N 303.289 2.363 0 40 DEAB CC(=O)N1CCN(C(=O)CNc2ccc3sccc3c2)CC1 54218125 PDXPJGKVUZCMCZ-UHFFFAOYSA-N 317.414 2.004 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 103536421 XIDKLXTXDWKNPW-GDBMZVCRSA-N 324.311 2.427 0 40 DEAB Cc1cc([C@H]2CCCN2C[C@@H](O)COCc2ccco2)on1 106108412 YWUBYYUQBPYHMN-UKRRQHHQSA-N 306.362 2.291 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1(C)C 106577538 HMXZEWZFKOELFW-QKPAOTATSA-N 306.450 2.204 0 40 DEAB Fc1cnc(N2CCO[C@]3(CCC[C@H]3COCC3CC3)C2)nc1 107194496 JTKUGMASCQNIDU-WMLDXEAASA-N 321.396 2.418 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C[C@@H](O)COc2ccc(C)cc2)C1 12531755 HEAHKKGIIAKUTB-HZPDHXFCSA-N 321.417 2.010 0 40 DEAB O=C(C[C@@H]1CCCO1)Nc1ccc(CN2CCOC2=O)cc1 55788548 RWUIWVATNBDRGI-AWEZNQCLSA-N 304.346 2.146 0 40 DEAB C[C@@H](SCC(=O)N(C)CC(=O)NC1CC1)c1ccccc1F 56261481 IPWPMGPUBOVXLU-LLVKDONJSA-N 324.421 2.357 0 40 DEAB NC(=O)Nc1cccc(C(=O)OCc2nnsc2Cl)c1 26594036 TZFFKEDAJCLHNF-UHFFFAOYSA-N 312.738 2.039 0 40 DEAB c1ccn2c(CCN[C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)nnc2c1 108376471 RNWQDYJBXDFWNG-IAOVAPTHSA-N 312.417 2.209 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 44890131 KRNFPLRKPWJTCT-ZDUSSCGKSA-N 319.792 2.283 0 40 DEAB CCOc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cn1 44853155 LDZNPTVVFHUACH-CYBMUJFWSA-N 303.362 2.106 0 40 DEAB CC(C)N1CCOC[C@@]2(CC[C@H](CNCc3cccs3)O2)C1 306125175 CIIKADJYZREJIQ-NVXWUHKLSA-N 324.490 2.496 0 40 DEAB COc1cc(C)c([C@@H](C)N2C[C@H](C(=O)O)CC2=O)cc1OC 44979087 SBWLVKNHWXJDJX-GHMZBOCLSA-N 307.346 2.006 0 40 DEAB CCC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793241 JSTWONIQYWUMJY-OAHLLOKOSA-N 309.841 2.155 0 40 DEAB COc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cn1 48018995 FZZCVUHRLJOFGA-UHFFFAOYSA-N 315.329 2.183 0 40 DEAB COc1c(CNCc2cccnc2N(C)C)c(C(C)C)nn1C 58404282 LJGJFASLKIRXOK-UHFFFAOYSA-N 317.437 2.303 0 40 DEAB COc1ccccc1NC(=O)COC(=O)COc1ccccc1 3388850 USFNSOAGSIOPIZ-UHFFFAOYSA-N 315.325 2.256 0 40 DEAB C[C@H](NC(=O)CCC(=O)c1cccs1)c1nnc2n1CCC2 48234383 KZIXTMMRYDZOKD-JTQLQIEISA-N 318.402 2.126 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N[C@@H](C(=O)OC)C(C)C 68749962 CLWZMSPYEJTQSO-SIFUEBAJSA-N 305.374 2.412 0 40 DEAB Cc1nnsc1C(=O)NCc1ccccc1CN1CCCC1 8012536 PLFNYRFTBZVTOY-UHFFFAOYSA-N 316.430 2.372 0 40 DEAB O=c1c2ccccc2c(O)nn1CC[C@@H]1NCc2ccccc2N1 409204939 DNQFYDZQBIDVIX-MRXNPFEDSA-N 322.368 2.034 0 40 DEAB COC(=O)c1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12992014 BNKCOQMNJLGLLQ-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB Cc1cccc(NC(=O)CNC(=O)NCC(F)(F)F)c1C 12930086 KBQZCPCJRPDADM-UHFFFAOYSA-N 303.284 2.103 0 40 DEAB O=S(=O)(NCc1ccccc1)c1ccc2c(c1)OCCCO2 13070810 VTQWZPLMDFAPLV-UHFFFAOYSA-N 319.382 2.326 0 40 DEAB COc1ccc(CCC(=O)OCc2ccc(C(N)=O)cc2)cc1 16810890 PGXFDDXSCJQVHR-UHFFFAOYSA-N 313.353 2.470 0 40 DEAB COC(=O)[C@@H]1CN(C)CC[C@@]1(C)OC(=O)Oc1ccccc1 17185273 DGPKGLHMCMOPGO-XJKSGUPXSA-N 307.346 2.085 0 40 DEAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)c1ccccc1)C2=O 14183956 FOYPEOVILIUOFP-KDJCLPLCSA-N 302.374 2.221 0 40 DEAB Cc1cc(C)cc(NC(=O)Cn2nc(-c3ccco3)oc2=O)c1 14163263 CZCOOMZCYDOIDJ-UHFFFAOYSA-N 313.313 2.352 0 40 DEAB C[C@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C[C@@H](C)O1 14139726 AKUHCPXOUMBXEF-WDMOLILDSA-N 320.414 2.125 0 40 DEAB O=C(O)CCCCCCC[C@H](O)[C@H](O)CCCCCCO 4521130 MEHUJCGAYMDLEL-LSDHHAIUSA-N 304.427 2.466 0 40 DEAB biogenic,in-vitro Cc1c(Cl)cccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 5490063 CZAQLWXPRNYBAW-QWRGUYRKSA-N 316.835 2.302 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)COCCc2ccccc2)cn1 69624305 YTECSCCIMKEOHZ-KRWDZBQOSA-N 313.401 2.343 0 40 DEAB O=C1NC[C@H]2CN(Cc3cccc(Cl)c3Cl)CCN12 91865509 XAWCANMOLGVXIX-JTQLQIEISA-N 300.189 2.203 0 40 DEAB CCOC(=O)c1cc(N)n(-c2ccccc2Br)n1 66348290 ALHBMYSUAXQXAG-UHFFFAOYSA-N 310.151 2.394 0 40 DEAB COc1ccc(N2C[C@@H](C(=O)O[C@@H](C)C3CC3)CC2=O)cc1 66547157 CZVRPMSPOHMCOX-AAEUAGOBSA-N 303.358 2.390 0 40 DEAB CCC(=O)N[C@@H]1CCCN(Cc2ncc(C)c(OC)c2C)C1 67227428 UFDLQNUBNFWJAS-CQSZACIVSA-N 305.422 2.198 0 40 DEAB Cn1c(Cl)cnc1CN1CCN(c2ccccc2O)CC1 18034238 HOYWIBHTQTXMGF-UHFFFAOYSA-N 306.797 2.101 0 40 DEAB O=C(CN1CCc2onc(-c3cccc(F)c3)c2C1)NC1CC1 67872486 BHULBHQLCMGUBE-UHFFFAOYSA-N 315.348 2.117 0 40 DEAB Cn1ncnc1CNCc1c(Cl)cccc1N1CCCC1 92409966 DIWWMRONOYPYTP-UHFFFAOYSA-N 305.813 2.359 0 40 DEAB CC1CCC(NC(=O)N(C)CCN(C)C2CCN(C)CC2)CC1 71857160 WCSKROCKKCSFOX-UHFFFAOYSA-N 324.513 2.233 0 40 DEAB Cc1noc(C)c1NC(=O)NCCN(C)C(=O)OC(C)(C)C 71857072 KECKORLITAQLAW-UHFFFAOYSA-N 312.370 2.280 0 40 DEAB C[C@@H](C(=O)NC1CCSCC1)N1CCc2ccccc2C1 71893316 GKNKXARNTNEPHA-ZDUSSCGKSA-N 304.459 2.445 0 40 DEAB NC(=O)c1ccccc1OCC(=O)NCCC1=CCCCC1 9247979 JOWDOKFRUXZMFH-UHFFFAOYSA-N 302.374 2.171 0 40 DEAB C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 96502152 OSOCEBYXTSWDCD-BPLDGKMQSA-N 316.405 2.065 0 40 DEAB O=C1[C@@H](Nc2cccc3c2OCCO3)CCN1CC(F)(F)F 89774319 BRUBQSSRJJOREE-JTQLQIEISA-N 316.279 2.033 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)CN(C)CCOCc1ccccc1 84019513 PCWZRTUIZQTLSJ-UHFFFAOYSA-N 316.405 2.114 0 40 DEAB O=C(Cc1ccc2c(c1)CCCC2)N[C@H]1CCc2nccn2C1 72278532 HUCZCIQLRITKEX-KRWDZBQOSA-N 309.413 2.436 0 40 DEAB Cn1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)c1 97022772 CDRKZYWWMCOWDV-CYBMUJFWSA-N 322.206 2.104 0 40 DEAB C[C@@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1cccnc1 84661149 FTGGGGPOCHMYLB-GFCCVEGCSA-N 320.352 2.446 0 40 DEAB Cc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1C 409385096 HMBZFQKESAYKJB-VMUDFCTBSA-N 301.342 2.286 0 40 DEAB Cc1cc(C)cc(C[C@@H](C)NC(=O)NCCC(=O)N(C)C)c1 73742299 MFEMKYLHDIHWKO-CQSZACIVSA-N 305.422 2.012 0 40 DEAB O=C(NCC[S@@](=O)c1ccccc1)c1cccc(Cl)n1 78914659 GFSVFZMRLLCGQL-FQEVSTJZSA-N 308.790 2.273 0 40 DEAB COCCO[C@@H](C)C(=O)Nc1ccc(Br)c(C)n1 78953870 DVVHLSPEVYLBIF-VIFPVBQESA-N 317.183 2.143 0 40 DEAB CC(C)[C@H](CC(=O)NCCc1nncn1C)c1ccccc1 79001198 DZFGFXBCZSVOEE-HNNXBMFYSA-N 300.406 2.304 0 40 DEAB Cc1c(NC[C@H]2CCCO2)nn2c(C(F)(F)F)nnc2c1C 79111743 JMVCWXHHYSKZCD-SECBINFHSA-N 315.299 2.351 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)[nH]n1 170680032 DYEVUOUVFDPRJN-LLVKDONJSA-N 301.394 2.450 0 40 DEAB CC(=O)NCc1ccc(C(=O)OCC(=O)c2ccccc2)cc1 23298067 QRJMUVWGPIPMMU-UHFFFAOYSA-N 311.337 2.362 0 40 DEAB CCOC(=O)c1c(Br)cnn1CC(F)(F)F 408717116 VXFPAQPNFRPCAK-UHFFFAOYSA-N 301.062 2.385 0 40 DEAB O=C(CCc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 518842 ZPZUNRIQRXFASG-SJORKVTESA-N 322.408 2.427 0 40 DEAB biogenic c1ccc(-n2nnnc2NCc2ccnc(N3CCCC3)c2)cc1 32905159 PAPZIHNFJONJFS-UHFFFAOYSA-N 321.388 2.270 0 40 DEAB CCc1oc2ccccc2c1CC(=O)NCCc1ncn(C)n1 528814016 MUDZSTFCNSRBJA-UHFFFAOYSA-N 312.373 2.025 0 40 DEAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2cccc(F)c2)[C@@H]1CO 218569475 KYVOZJXDVMYRLH-ARFHVFGLSA-N 306.358 2.374 0 40 DEAB COc1cccc([C@@H]2[C@H](N)C(=O)N2Cc2ccc(F)cc2)c1 72228214 IEGPLOSUACSWNI-JKSUJKDBSA-N 300.333 2.245 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NC[C@@H](C)O)cc1 184828683 WNOOPIIJSASNCD-FVQBIDKESA-N 311.447 2.050 0 40 DEAB C[C@H](c1cccnc1)N1CCN(C(=O)CC[C@H]2CCCO2)CC1 79353345 ZWWHGPCRYXYJOJ-NVXWUHKLSA-N 317.433 2.246 0 40 DEAB C[C@@H](C(=O)NC1CCCCC1)N1CCN(C(=O)C(C)(C)C)CC1 130554975 CQAATBMMVLAFFV-AWEZNQCLSA-N 323.481 2.014 0 40 DEAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCC2)CC1 41777845 OQDUDESMFVJVLC-UHFFFAOYSA-N 300.402 2.470 0 40 DEAB O=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2cccnn2)C1 225408399 KEEZFMNLJKRQND-HNNXBMFYSA-N 322.368 2.111 0 40 DEAB CC(C)CC[C@H](C)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 192609780 RTGURQHTWUZYJO-LBPRGKRZSA-N 304.456 2.030 0 40 DEAB O=C(C[C@@H]1CNCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 195543075 LHOWUGVULVBEJA-MOPGFXCFSA-N 324.424 2.465 0 40 DEAB O=C(c1cccnc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225684032 PPNOEBLOEMAURZ-SFHVURJKSA-N 307.397 2.354 0 40 DEAB CCOC(=O)[C@]1(C(C)C)CCN(Cc2c(C)nn(C)c2C)C1 194874185 KTPCWJRYPOCUJR-QGZVFWFLSA-N 307.438 2.448 0 40 DEAB CC[C@@H]1CN(C(=O)c2cccn2C)[C@H](CC)CN1CC(C)(C)O 225426926 ILZSCCLEMIFZQG-HUUCEWRRSA-N 321.465 2.111 0 40 DEAB CS(=O)(=O)NCC1(c2ccccc2Br)CC1 96421278 OXDDDHDZULSVFH-UHFFFAOYSA-N 304.209 2.030 0 40 DEAB Cc1ccccc1C(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 96417180 ZNCHLVNLKDMMLZ-CQSZACIVSA-N 322.364 2.453 0 40 DEAB CCN1CC[C@@]2(CC(C(=O)NC[C@@H](C)c3ccccc3)=NO2)C1 96225771 AVDKTJOAGHWAIF-RDTXWAMCSA-N 315.417 2.147 0 40 DEAB CCS(=O)(=O)N[C@H](C)Cc1ccccc1Br 96470409 NFKNEQJNGBWGIC-SECBINFHSA-N 306.225 2.319 0 40 DEAB c1cnc(NC[C@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)nc1 96075795 SESLLRUXPFAIIQ-DOTOQJQBSA-N 302.422 2.170 0 40 DEAB O=C(CN1CCSC[C@@H]1c1ccccc1)Nc1nncs1 96406622 OPAVDTRHDSEXGG-GFCCVEGCSA-N 320.443 2.267 0 40 DEAB CSC[C@@H](C)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 96436838 NCJACHOHAAWELJ-ZBFHGGJFSA-N 322.474 2.145 0 40 DEAB CN(C)CCS[C@H](C(N)=O)c1cccc(Br)c1 96486229 DMQGQXGCUWWLFO-NSHDSACASA-N 317.252 2.270 0 40 DEAB O=S(=O)(c1cccnc1)N(C[C@@H]1CCCO1)C1CCCC1 96428547 IDCXEULSENNKDF-AWEZNQCLSA-N 310.419 2.194 0 40 DEAB C[C@](NC(=O)/C=C/c1ccco1)(C(N)=O)c1cccc(Cl)c1 96454815 CYDWQGZPMZRFDZ-KXPUMZMLSA-N 318.760 2.463 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)N[C@H](C)c1ccccn1 96437608 OHLAPIKPWQADDQ-CYBMUJFWSA-N 301.394 2.495 0 40 DEAB Cc1cc(NC(=O)CO)nn1-c1ccc(Cl)cc1Cl 96495261 HMNACAXFKBQFBO-UHFFFAOYSA-N 300.145 2.418 0 40 DEAB O=C(c1cscn1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@H]21 247875275 SSPLUDZIMQAWEV-BPLDGKMQSA-N 322.430 2.189 0 40 DEAB CC(C)N1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CC1=O 241946714 UNJIUDSMDZMRPZ-SDSMMKDESA-N 304.434 2.184 0 40 DEAB CC(=O)N1CCN(C(=O)c2cncs2)C[C@H]1c1ccccc1 257333276 YAXRPQLAXQURGH-AWEZNQCLSA-N 315.398 2.189 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)n1 257238113 HJQBSXZYDKVZQS-OAHLLOKOSA-N 304.438 2.300 0 40 DEAB CNc1cc(C)nc([C@H]2CN(Cc3[nH]cnc3C)CCO2)c1 257318051 VMGCXCKPRRMVPQ-MRXNPFEDSA-N 301.394 2.037 0 40 DEAB CCC(=O)N1CCC[C@@H](c2nc(C)cc(-c3nccn3C)n2)C1 257317133 VINJNMRXFZYRNH-CYBMUJFWSA-N 313.405 2.302 0 40 DEAB CC[C@H]1CN(c2ccnc(C(F)(F)F)c2)CCN1C[C@@H](C)O 283703296 CURNJPVOWCJEAW-NEPJUHHUSA-N 317.355 2.382 0 40 DEAB Cc1ccc(OC[C@@]2(O)CCN(C(=O)c3ccncc3)C2)cc1 585268922 DPZVHBYXQPGSDQ-GOSISDBHSA-N 312.369 2.046 0 40 DEAB Cc1ccc(OCc2nnc3n2CCN(C(C)C)[C@H](C)C3)cn1 585098032 QRMAIKAWCGDYFI-CQSZACIVSA-N 315.421 2.216 0 40 DEAB NC(=O)CN(C(=O)Cc1c(F)cccc1Cl)C1CCCC1 47236125 ORRUHFAOJFHREX-UHFFFAOYSA-N 312.772 2.278 0 40 DEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 62119997 ACWCJSDVHUWSML-ZETCQYMHSA-N 324.185 2.089 0 40 DEAB CCOCCS(=O)(=O)Cc1csc(-c2ccco2)n1 69508030 YOMHGWNNBBDJCK-UHFFFAOYSA-N 301.389 2.354 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCCc3occc32)c(=O)[nH]1 75111243 ILANYFKYTUJCQU-CQSZACIVSA-N 315.373 2.462 0 40 DEAB CCCNC(=O)CN[C@H]1CN(Cc2ccccc2)C(C)(C)C1 90167995 TWPUCKDBCWXNPO-MRXNPFEDSA-N 303.450 2.155 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1 13341636 HLZIHOVVPCDXBK-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cn1nccc1C(=O)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19289084 CKRPEMNZDQNIBA-LBPRGKRZSA-N 315.377 2.090 0 40 DEAB CC(C)(C)c1nc2cc(NC(=O)[C@H]3COCCO3)ccc2o1 25302283 GHHINFIQBHEBNP-CYBMUJFWSA-N 304.346 2.479 0 40 DEAB O[C@H]1CCCC[C@@H]1N1CCC(c2[nH]nc3ncccc23)CC1 2037597111 VAPKFEBLNHUDGE-GJZGRUSLSA-N 300.406 2.441 0 40 DEAB CCNC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 17296723 KIPCGONUVIDJDD-UHFFFAOYSA-N 304.375 2.466 0 40 DEAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCNC3)ncc2C1 19292417 RQFBFYUJUZMRBF-AWEZNQCLSA-N 314.433 2.019 0 40 DEAB O=c1/c(=C\c2ccccc2)sc2nc(-c3cccs3)nn12 124334 CAVDBZQNRXRGQK-FMIVXFBMSA-N 311.391 2.427 0 40 DEAB C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C[C@H](C)O1 40527081 QWBXKHIPSXNJDI-IUCAKERBSA-N 311.769 2.080 0 40 DEAB COc1ccc(CCC(=O)N[C@H](CC(C)C)C(=O)N(C)C)cc1 40536309 WHFLDDCEDYDEMN-MRXNPFEDSA-N 320.433 2.247 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2c(C)noc2C)c1C 3564159 OLVGOFFLVCMPNW-UHFFFAOYSA-N 318.329 2.479 0 40 DEAB CC(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 8315199 LWZUKZXBQMGEOD-KRWDZBQOSA-N 300.402 2.439 0 40 DEAB COc1ccc2cc(CNC(=O)c3nccnc3N)ccc2c1 11126988 NBZWSYLFLLPTBY-UHFFFAOYSA-N 308.341 2.151 0 40 DEAB COc1ncccc1N(C)C(=O)Cn1cc(-c2ccccc2)nn1 96475053 PZNMQTHRUQAPSJ-UHFFFAOYSA-N 323.356 2.012 0 40 DEAB CC(C)CN1C(=O)[C@@]2(CC(=O)Nc3[nH]ncc32)c2ccccc21 20732689 ZMDREUYBPGYWSJ-KRWDZBQOSA-N 310.357 2.041 0 40 DEAB O=C(c1ccc(O)c(Cl)c1)N1CCN(c2nccs2)CC1 21472362 FXTZJLTZILMBNF-UHFFFAOYSA-N 323.805 2.465 0 40 DEAB O=C(O)C1(NS(=O)(=O)c2cccc(Cl)c2F)CCCC1 36983553 LOKRYQJKFYZNLV-UHFFFAOYSA-N 321.757 2.155 0 40 DEAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3cccnc3)cc2c1 9235539 MYSMZXLGRPWKDC-UHFFFAOYSA-N 323.352 2.204 0 40 DEAB Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCCC[C@@H]1C 8304384 AMPUICPXUJTVSB-XHDPSFHLSA-N 315.421 2.369 0 40 DEAB C[C@H](O)CN(C[C@@H](C)O)C(=O)C1(c2ccccc2)CCCC1 27249059 RVBHGKJFWRXMFD-GASCZTMLSA-N 305.418 2.089 0 40 DEAB Cc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1 2640869 BIPJDVQEBUGNBH-UHFFFAOYSA-N 324.793 2.259 0 40 DEAB Cc1ccc(C(=O)NCCCn2c(C)nc3ccccc32)c(=O)[nH]1 75119373 CSRDNDQGUULGOB-UHFFFAOYSA-N 324.384 2.162 0 40 DEAB CCOc1ccccc1NC(=O)CSc1nc(O)nnc1C 11990595 HLFTYNOCZAHBDC-UHFFFAOYSA-N 320.374 2.015 0 40 DEAB Oc1c(Br)cc(Br)cc1-c1nnn[nH]1 2738932 WCEUPQFOBZQXRC-UHFFFAOYSA-N 319.944 2.097 0 40 DEAB COCCC(=O)N1[C@H](COc2ccc(OC)cc2)[C@@H]2CC[C@@H]1C2 100113335 UNQARWIBHTUWRD-CKEIUWERSA-N 319.401 2.490 0 40 DEAB CC(C)CO[C@H](C)C(=O)N[C@H](C)c1nnc2n1CCCCC2 42496960 OUUICNQBISBIMX-CHWSQXEVSA-N 308.426 2.243 0 40 DEAB CCOC(=O)NCCC(=O)Nc1ccc(-n2cccn2)c(F)c1 54588183 DZQMRSLNXWMAQV-UHFFFAOYSA-N 320.324 2.086 0 40 DEAB CC(=O)NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1 56945328 PXBIEIIZFNCNIA-KRWDZBQOSA-N 313.401 2.279 0 40 DEAB CCn1cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cn1 106007006 WJHMDDJBKHPBKY-JTQLQIEISA-N 307.375 2.027 0 40 DEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(C[C@@H](O)c2ccccc2)C1 104773239 WIVHHJZQKWCBGX-QILLFSRXSA-N 310.397 2.001 0 40 DEAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@@H]2COCCO2)cc1 55701317 IDMVMOFKENBNRS-YOEHRIQHSA-N 321.417 2.327 0 40 DEAB Cc1cnn(CC(=O)N[C@H]2CCOc3c(Cl)cccc32)c1 56987870 SAONFVYDQOPHID-ZDUSSCGKSA-N 305.765 2.485 0 40 DEAB CCOc1ccc2c(c1)c(=O)c(C(=O)NCC(C)C)cn2C 22237079 YKYDVOIFXYIJIE-UHFFFAOYSA-N 302.374 2.323 0 40 DEAB C[C@@H]1c2ccsc2CCN1CC(=O)NC(=O)NC(C)(C)C 57392183 QFNSXFKOKHPRKH-SNVBAGLBSA-N 309.435 2.292 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cn(C)nc2C)c1 28237281 ZUPPBMDPDYGXKU-JTQLQIEISA-N 303.362 2.237 0 40 DEAB COCOc1ccc(OC)cc1CN1C[C@@H]2CCCN2C[C@@H]1C 108369215 NDTMUZAEZHSZQM-HOCLYGCPSA-N 320.433 2.346 0 40 DEAB Cc1ccccc1[C@@H](CC(=O)NCc1ccoc1)NC(N)=O 58158023 DNUAWJLUHZMVDH-CQSZACIVSA-N 301.346 2.004 0 40 DEAB COc1ccc(OC)c(C2=NN[C@@]3(C2)C(=O)Nc2ccccc23)c1 13628484 AEFGVGCHDJUOKI-GOSISDBHSA-N 323.352 2.249 0 40 DEAB CCCC[C@@H](CC)C(=O)N1CCN(Cc2noc(CC)n2)CC1 69740723 BRMNMYXHGFVGDB-CQSZACIVSA-N 322.453 2.493 0 40 DEAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCCCC1 5002246 LDQHFPLKHUTWDM-CYBMUJFWSA-N 301.390 2.236 0 40 DEAB CCNC(=S)Nc1nc2c(cc1C(=O)OCC)CCCC2 8691572 SOQFGPROKRZZFJ-UHFFFAOYSA-N 307.419 2.443 0 40 DEAB aggregator Sc1nnc(-c2cc[nH]n2)n1-c1cnn(Cc2ccccc2)c1 6448699 WNFXTGLTHVUNTC-UHFFFAOYSA-N 323.385 2.191 0 40 DEAB Cc1cccn2cc(CC(=O)Nc3ccc(NC(N)=O)cc3)nc12 65607531 ZKOLZCXPMKPQKE-UHFFFAOYSA-N 323.356 2.315 0 40 DEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)/C=C/c2ccccc2)C1 7375754 XZAOTFDQISKIIL-PABFRNLHSA-N 323.414 2.262 0 40 DEAB CCC(C)(C)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 7376768 QFFPLMFCPHXJKL-UHFFFAOYSA-N 314.407 2.121 0 40 DEAB O=C(c1ccc(Br)cc1F)N1CCC(O)CC1 19422273 AKMQFVBHNGLWOY-UHFFFAOYSA-N 302.143 2.185 0 40 DEAB COC(=O)c1cc([C@@H]2NC(=O)c3ccccc3N2C)oc1C 9118312 GODYBRRMNIZPNR-CQSZACIVSA-N 300.314 2.253 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 9458611 HKHRNKCYXKFCDL-UHFFFAOYSA-N 314.341 2.316 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](n3nc(C)cc3C)C2)n(C)n1 71870902 WFUKXGPELMDCAI-AWEZNQCLSA-N 301.394 2.019 0 40 DEAB CS(=O)(=O)Cc1cccc(CNCc2cccc(O)c2)c1 71850286 BAIIBHIEBCSWOJ-UHFFFAOYSA-N 305.399 2.227 0 40 DEAB COc1cc(Cl)ccc1CNC(=O)COC[C@H]1CCCO1 71886736 NQILCYJEJYHCHA-CYBMUJFWSA-N 313.781 2.160 0 40 DEAB O=C(CCOc1ccccc1)Nc1cnn(C[C@H]2CCCO2)c1 71821255 AAOXKPYWWVLLGR-MRXNPFEDSA-N 315.373 2.470 0 40 DEAB O=S(=O)(C[C@@H]1CCOC1)N1CCCc2cc(F)c(F)cc21 71910733 TWCDOHLNFISHDU-SNVBAGLBSA-N 317.357 2.084 0 40 DEAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1F 72053905 SPXOMSZKGFHHTD-CQSZACIVSA-N 322.405 2.272 0 40 DEAB O=C(NC[C@]1(O)CCSC1)N[C@@H](Cc1ccccc1)C1CC1 89830106 DDQFJMOKJVYSHH-DOTOQJQBSA-N 320.458 2.175 0 40 DEAB c1ccc(-c2cc(CC3(NCc4ccco4)COC3)no2)nc1 67898255 UEMCPTWRDGUNBT-UHFFFAOYSA-N 311.341 2.431 0 40 DEAB biogenic,in-vitro CC[C@@H](Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)C(N)=O 72281421 LWGFAAWJDKQGGR-CYBMUJFWSA-N 312.435 2.076 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCOCC(C)C)C2)n1 72235447 ZQLHSODYDJIYQL-HNNXBMFYSA-N 308.426 2.121 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1cnn(-c2ccccc2Cl)c1 89938807 YWKGDGGLOBQTDJ-GFCCVEGCSA-N 318.808 2.302 0 40 DEAB CC(C)(C)[C@@H](NC(=O)N[C@H]1CCCNC1=O)c1cccc(F)c1 95408152 RCLFOUKQDUVTAG-KBPBESRZSA-N 321.396 2.491 0 40 DEAB OC[C@@H](O)CSCc1nc2cc(C(F)(F)F)ccc2o1 95425991 BFQPJOWCKVSPJY-MRVPVSSYSA-N 307.293 2.433 0 40 DEAB CC[C@@H]1CN(C(=O)NCCc2nccn2C(F)F)C[C@H](C)O1 84735507 GWQCQWTXBPJVSC-WDEREUQCSA-N 316.352 2.030 0 40 DEAB C[C@@H](CC(=O)c1ccccc1F)C(=O)N(C)C[C@@H]1CCN(C)C1 78932493 FPMCHUIGXNGACX-UONOGXRCSA-N 320.408 2.445 0 40 DEAB COc1cccc([C@@H](CO)NCc2ccc([S@@](C)=O)cc2)c1 85328980 UHECILDGPLPKEY-VGSWGCGISA-N 319.426 2.256 0 40 DEAB Cc1cnc(NCc2cc(F)ccc2CS(C)(=O)=O)nc1C 95978554 CERNMIXXLVSDEY-UHFFFAOYSA-N 323.393 2.389 0 40 DEAB Cc1noc(C)c1CNCc1ccc(CS(C)(=O)=O)cc1 95951431 SVUUGWPDPFRXRD-UHFFFAOYSA-N 308.403 2.126 0 40 DEAB C[C@H]1Cc2ccccc2N1CCNC(=O)[C@@H]1CCO[C@H](C)C1 95988966 AHJRAVABEZNNIK-SQWLQELKSA-N 302.418 2.369 0 40 DEAB O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCC[C@@H](O)C1 89243150 OLTUPNRMIVBAPB-GFCCVEGCSA-N 310.344 2.163 0 40 DEAB Cn1c(N2CCN(c3ccc(F)cn3)CC2)nc2ccccc21 89262865 ONYYFEQRGLFHNH-UHFFFAOYSA-N 311.364 2.434 0 40 DEAB CS[C@@H]1CCC[C@H]1N(C)Cc1cc(=O)n2ccccc2n1 110646551 GFXDCBVUZZIACZ-ZIAGYGMSSA-N 303.431 2.410 0 40 DEAB CO[C@H]1CC[C@H](NC(=O)Nc2cnn(Cc3ccccn3)c2)C1 189698585 AOILPNUPNPGYTD-WFASDCNBSA-N 315.377 2.015 0 40 DEAB CC(C)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1 306134201 NFPSCWUMYQAPKO-AWEZNQCLSA-N 300.410 2.016 0 40 DEAB CCOC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)[nH]n1 71978738 MCQTUDALRLVIQT-UHFFFAOYSA-N 306.318 2.279 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 36023189 RXJNXCXDFOJRHB-IWDIQUIJSA-N 309.243 2.148 0 40 DEAB CCCn1nnnc1CN1CCC[C@H]1C[C@H](O)c1ccccc1 76075287 AUQRPOFEBALSKN-HOTGVXAUSA-N 315.421 2.171 0 40 DEAB CN(c1ncc(F)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 72203063 JXANCVPOHFPKBB-UHFFFAOYSA-N 310.373 2.451 0 40 DEAB CSc1nnc(C)n1NC(=O)c1ccc(Br)o1 33659239 QUVATBCXJFXJBM-UHFFFAOYSA-N 317.168 2.048 0 40 DEAB Cc1cc(NC(=O)c2cccc[n+]2[O-])ncc1Br 46085531 GIUWRQOZGLVDON-UHFFFAOYSA-N 308.135 2.038 0 40 DEAB CCCc1noc(C2CCN(C(=O)c3cnn(CC)c3)CC2)n1 41121828 GZZYEUGYJLMKHJ-UHFFFAOYSA-N 317.393 2.258 0 40 DEAB Cc1[nH]ncc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 80507331 UVBZUURBVRVUEQ-UHFFFAOYSA-N 304.297 2.466 0 40 DEAB COCCC(=O)N1CCN(Cc2ccc(F)c(Cl)c2)CC1 225600490 PDRNPJAPQKLGDE-UHFFFAOYSA-N 314.788 2.160 0 40 DEAB CCOC(=O)C(=O)CC(=O)c1ccc(Br)c(F)c1 199567099 WVSRLOUQELBEJF-UHFFFAOYSA-N 317.110 2.293 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 96494049 DYHZATBWTNKHSU-NJZAAPMLSA-N 323.824 2.395 0 40 DEAB c1ccc(-c2nnn3c2CO[C@H](CNCc2ccco2)C3)cc1 96061069 RUBHMJWZSADMDN-OAHLLOKOSA-N 310.357 2.227 0 40 DEAB O=C(C1=CCCC1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 96042295 HJYVCJBUXKLBHR-YQQAZPJKSA-N 314.385 2.329 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCCN([C@H](C(=O)O)c2ccco2)C1 95635344 PQGTXKSAXBQQSL-AAEUAGOBSA-N 324.377 2.394 0 40 DEAB CC[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)N1CCCC1=O 96436478 PDVTYUHBBBWGDY-OAHLLOKOSA-N 315.417 2.409 0 40 DEAB COCCn1c2c(ccc1=O)C[C@@H](NCc1ccsc1)CC2 96189660 KSKDDABBYRKQPK-HNNXBMFYSA-N 318.442 2.203 0 40 DEAB COC[C@H]1CN(Cc2cccs2)Cc2nnn(CC3CC3)c21 96060879 QFWSVXFRFZIDLD-CYBMUJFWSA-N 318.446 2.495 0 40 DEAB CCN(C)c1ccnc([C@H]2COCCN2Cc2ccoc2)n1 96215785 SCXOMPHLUHDXAZ-CQSZACIVSA-N 302.378 2.099 0 40 DEAB O=C(c1ccco1)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96073899 VDGBSCIMJKXEMT-XJKSGUPXSA-N 301.346 2.113 0 40 DEAB O=C(c1ccco1)N1CCc2c(cccc2N2CCOC2=O)C1 96431749 JIWVSXQKIWLGHR-UHFFFAOYSA-N 312.325 2.435 0 40 DEAB Cc1occc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1cccnc1 96055710 QBTCUQGMZUWRSW-LSDHHAIUSA-N 311.341 2.003 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)O 98038005 OSMDYMQYNMGAOT-MEDUHNTESA-N 318.373 2.265 0 40 DEAB Cc1nc([C@@H]2CN(CCOc3cccc(Cl)c3)CCO2)no1 95958156 DHTGFGZKOXUEBQ-AWEZNQCLSA-N 323.780 2.484 0 40 DEAB Cc1c(-c2nnc(SCC(N)=O)s2)sc(=S)n1C 524734990 XQIGSSWWRZPYKP-UHFFFAOYSA-N 318.474 2.220 0 40 DEAB Cc1nc(C)c(S(=O)(=O)NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)s1 245316862 KYCSORFBINODET-URLYPYJESA-N 314.432 2.001 0 40 DEAB CCn1nccc1-c1nccnc1C[C@@H]1CCCN(C(C)=O)C1 257288305 PTRISAAUWDRJRZ-AWEZNQCLSA-N 313.405 2.161 0 40 DEAB Cn1cccc1C(=O)N1CCC(c2ccn3nccc3n2)CC1 257313903 UUPRUZGDDSWCTN-UHFFFAOYSA-N 309.373 2.088 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCN(C(=O)CCc2c(C)noc2C)C1 257285629 PIARMDZVJOFTPH-CYBMUJFWSA-N 302.378 2.272 0 40 DEAB CN(C)CCCC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 257223275 DWPSKEIMRWFFNN-OAHLLOKOSA-N 304.438 2.153 0 40 DEAB COC(=O)[C@H]1CCn2c(COc3cc(C)ccc3C)nnc2C1 601045355 WFMDUZDAFQRVLT-ZDUSSCGKSA-N 315.373 2.209 0 40 DEAB CCCC(=O)NC[C@@H](Cc1cccc(F)c1)N1CCCC1=O 85467348 AOGAJTCYEKKUCZ-OAHLLOKOSA-N 306.381 2.276 0 40 DEAB CN(C)c1ccc([C@H](O)CNC(=O)Cc2cccs2)cc1 90611651 ZWCUDTGESHCXMZ-OAHLLOKOSA-N 304.415 2.206 0 40 DEAB O=C(NCCNc1ccccn1)N[C@@H]1CCOc2ccccc21 45571952 MRMKOIZLUWJGCF-CQSZACIVSA-N 312.373 2.317 0 40 DEAB COC(=O)NCC(=O)N(Cc1c(F)cccc1Cl)C1CC1 55049230 NITJAYHMJBDRMA-UHFFFAOYSA-N 314.744 2.326 0 40 DEAB C[C@H](C(=O)Nc1cccc(-c2nccs2)c1)S(C)(=O)=O 48802979 RWOIEWHLEIFRIB-SECBINFHSA-N 310.400 2.182 0 40 DEAB Cc1noc([C@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)n1 58246339 MWYRXRDDKDZDMA-JTQLQIEISA-N 312.329 2.453 0 40 DEAB Cc1c(Br)cccc1C(=O)NC[C@H]1CCCNC1 88441951 CUXQHLNTATZHBG-NSHDSACASA-N 311.223 2.487 0 40 DEAB O=C(NCCn1ccc(C(F)(F)F)n1)c1cc(C2CC2)on1 96099011 CKHXSFFCBVCUCY-UHFFFAOYSA-N 314.267 2.197 0 40 DEAB Cc1cc(C)cc(NC(=O)C[C@H]2N[C@@H]3CCCC[C@@H]3NC2=O)c1 5957761 FHPVBAPVNSIQMX-OWCLPIDISA-N 315.417 2.031 0 40 DEAB Cc1occc1-c1nn(CC(=O)N2[C@H](C)CCC[C@H]2C)c(=O)o1 12154203 MPULFXDHRMGXHG-GHMZBOCLSA-N 319.361 2.194 0 40 DEAB CC(C)N1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 12441428 SLPBMXKAMDYPHP-UHFFFAOYSA-N 314.426 2.224 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)NC1CCCCC1 36078902 ZUWOMEDNOBVTMY-OAHLLOKOSA-N 321.421 2.285 0 40 DEAB COc1cc(C(=O)O)ccc1OCC(=O)N(C(C)C)C(C)C 13419799 BFIRRHXOYMFXEO-UHFFFAOYSA-N 309.362 2.418 0 40 DEAB CS(=O)(=O)N1CCN(Cc2c(Cl)cccc2Cl)CC1 23481180 KUVFKTGYFDHMDP-UHFFFAOYSA-N 323.245 2.071 0 40 DEAB O=C(Cn1ccc2ccccc21)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 253473102 RKFLWTKQXINOBE-HYVNUMGLSA-N 314.385 2.094 0 40 DEAB CC[C@@]1(C)OC(=O)N(CCC(=O)Nc2ccccc2F)[C@@]1(C)O 4776800 YDJBEMNIZFYAKR-CVEARBPZSA-N 324.352 2.484 0 40 DEAB CS(=O)(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 8961185 QEWMSKCFDXKECC-UHFFFAOYSA-N 304.327 2.416 0 40 DEAB CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 13526656 UNZKXQGDHWYPDV-UHFFFAOYSA-N 322.206 2.318 0 40 DEAB O=C(Cc1cccc2ccccc12)N1CC(Nc2cccnn2)C1 618255959 LIVDBPYOISRWHG-UHFFFAOYSA-N 318.380 2.495 0 40 DEAB COc1ccc([C@@H](O)CNC(=O)c2ccsc2)cc1OC 211086833 JOPJARUWKCWPTO-LBPRGKRZSA-N 307.371 2.229 0 40 DEAB O=C(Cn1nnc2ccccc21)Nc1ccccc1-n1cccn1 40133801 ZXVZYLCRUJXNMY-UHFFFAOYSA-N 318.340 2.256 0 40 DEAB Cc1c(C(=O)Nc2nncs2)cnn1-c1ccc(F)cc1 30604533 KSPRDUHFJDQGMJ-UHFFFAOYSA-N 303.322 2.424 0 40 DEAB NC(=O)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 10665778 KPISJIHMMRTEJT-JTQLQIEISA-N 306.416 2.431 0 40 DEAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)o2)cc1 36390737 VTXZJIKQZNHABN-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB Cc1ccnc(NC(=O)CN2C(=O)COc3ccc(C)cc32)c1 1362127 CILYXSTZESLFPG-UHFFFAOYSA-N 311.341 2.063 0 40 DEAB COc1ccc(C(=O)NCCCN2CCCCC2)c(OC)c1 40465429 CGXHLVCAGHQRFI-UHFFFAOYSA-N 306.406 2.310 0 40 DEAB CNC(=O)c1cccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)c1 40468370 LTDAVJZKEXJLPN-CYBMUJFWSA-N 305.422 2.492 0 40 DEAB Nc1nc(N)c2c(n1)CC[C@H](C(=O)Nc1ccc(Cl)cc1)C2 2048465 LLKBWJINYZOBJD-QMMMGPOBSA-N 317.780 2.038 0 40 DEAB COC(=O)[C@@](O)(c1cc(C)c2nc(N)sc2c1)C(F)(F)F 2758744 RVNLBKTZHRLTLK-NSHDSACASA-N 320.292 2.110 0 40 DEAB CCCCn1c(Cc2ccccc2)nnc1SCC(N)=O 4161281 DWIOLSOXNUCTSW-UHFFFAOYSA-N 304.419 2.246 0 40 DEAB O=C1[C@@H]2N=NN(Cc3ccccc3)[C@H]2C(=O)N1c1ccc(F)cc1 101167186 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S=C(NC1CCCC1)NC1CCN(Cc2ccccn2)CC1 225232485 IAPLXYLVLZLDRC-UHFFFAOYSA-N 318.490 2.453 0 40 DEAB CCC1(CNC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CCC1 84164891 HQIXNDVWTJMKHA-CHWSQXEVSA-N 316.467 2.222 0 40 DEAB CC(C)N(C)C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 86370666 BZRUGPUZEKGMJW-UHFFFAOYSA-N 318.826 2.164 0 40 DEAB CCOC(=O)Cn1ncc2c1[C@H](NC(=O)OC(C)(C)C)CCC2 95884031 AWNUPWIWQAWTQG-GFCCVEGCSA-N 323.393 2.348 0 40 DEAB CCc1nc(CN2CCC[C@@H]2C(=O)NCC2CCCCC2)n[nH]1 97096312 OSDHYOIXOKTFFB-CQSZACIVSA-N 319.453 2.028 0 40 DEAB C[C@@](O)(CNC(=O)CC[C@H]1CCOC1)c1ccccc1Cl 97379007 JVZVEAXQFMVSHF-BLLLJJGKSA-N 311.809 2.480 0 40 DEAB CNC(=O)c1cccnc1N1CC[C@@H](c2ccc(OC)cc2)C1 96427349 YUAIWTTWDMGAKQ-CQSZACIVSA-N 311.385 2.444 0 40 DEAB CN1CCN(Cc2cc(=O)n3ccccc3n2)c2ccc(F)cc21 96443556 CVDJFMBAWISRML-UHFFFAOYSA-N 324.359 2.290 0 40 DEAB O=c1c2cccnc2cnn1C[C@H](O)c1cccc(Cl)c1 96435779 CNRIVLUZKKVKMP-AWEZNQCLSA-N 301.733 2.179 0 40 DEAB O=C(c1ccoc1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158264 UIEWQHJMWIHPLN-KRWDZBQOSA-N 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Cc1cccc(OCCOC(=O)c2cccc(-n3cnnn3)c2)c1 21238810 FOSKNNVBTDWWSM-UHFFFAOYSA-N 324.340 2.207 0 40 DEAB Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)c(C)n1 52429717 XNJZXJIUMXNYCL-UHFFFAOYSA-N 309.413 2.487 0 40 DEAB CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC 416210 WWKOOEUEODJWSS-UHFFFAOYSA-N 319.430 2.377 0 40 DEAB CCN1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 50123261 NPVFEKWWATUWCH-UHFFFAOYSA-N 316.323 2.248 0 40 DEAB CCS(=O)(=O)Cc1cc2c(cc1Br)OCCO2 46108728 MWGRPGLSUHOSHC-UHFFFAOYSA-N 321.192 2.155 0 40 DEAB COC(=O)c1ccc(C(=O)N(C)Cc2c(C)noc2C)cc1 46407817 IBPNUJKOSWOCFO-UHFFFAOYSA-N 302.330 2.350 0 40 DEAB CC1=C(C)[C@]2(C)[C@H]1[C@@H]1C=C[C@@H]2n2c(=O)n(-c3ccccc3)c(=O)n21 104290232 PZLAHNFSDMTYRT-GGXPGOJBSA-N 321.380 2.439 0 40 DEAB CCC[C@](C)(NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)OC 41812614 WJRZAMBDOZFKPI-HNNXBMFYSA-N 323.418 2.405 0 40 DEAB C[C@H](NC(=O)CSc1cccc[n+]1[O-])[C@@H]1C[C@H]2CC[C@H]1C2 103491727 MPERLDYOKXSCRP-XUXIUFHCSA-N 306.431 2.353 0 40 DEAB CC1CCN([C@@H](CN[C@@H](C)CC(N)=O)c2cccs2)CC1 22357377 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CCCN1CCC(NC(=O)c2cc(OC)ccc2OC)CC1 58283183 YIXNYCJCLWMMDR-UHFFFAOYSA-N 306.406 2.308 0 40 DEAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)c(Cl)c1 44917647 XCLWYKLFLXFTRI-VIFPVBQESA-N 317.773 2.043 0 40 DEAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC[C@@H]1CCCO1 44966243 RPXZZDWXOZJTDD-AWEZNQCLSA-N 300.362 2.055 0 40 DEAB COCCNc1ccc(CNC(=O)Nc2ccncc2)cc1 58341370 NKZPRLKIDJYDGJ-UHFFFAOYSA-N 300.362 2.462 0 40 DEAB CC(C)NC(=O)Nc1ccc(C(=O)NO[C@@H]2CCCCO2)cc1 58419443 DWHKBGAWWUUUSC-CQSZACIVSA-N 321.377 2.405 0 40 DEAB c1cncc(C2OCC3(CO2)COC(c2cccnc2)OC3)c1 37858722 MMWCTODJHSJKPN-UHFFFAOYSA-N 314.341 2.254 0 40 DEAB COc1ccc(S(=O)(=O)N(C)CC[C@H]2CCCCO2)cc1 62193340 KTFVWVFNQABMAV-CQSZACIVSA-N 313.419 2.275 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2cccn2)cc1F 48173644 FJFVYGRXXRYPOI-NWDGAFQWSA-N 320.368 2.480 0 40 DEAB CCC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 12759431 LPGHTPFYQVKXLY-UHFFFAOYSA-N 314.389 2.099 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)s2)C[C@H](C)O1 12810687 DWHKUUOBFVGYER-UWVGGRQHSA-N 308.403 2.346 0 40 DEAB CCOC(=O)C1=C(C)NN=C(C(=O)Nc2ccccc2)S1 8227747 DSDGZECNECLLIQ-UHFFFAOYSA-N 305.359 2.070 0 40 DEAB CC(C)NC(=O)CCNC(=O)CCc1cc(Cl)cs1 70041053 YLRRUDCJVBWFBC-UHFFFAOYSA-N 302.827 2.365 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 70009478 VUHDUNGRRIZLED-CQSZACIVSA-N 314.389 2.290 0 40 DEAB Cn1cc(S(=O)(=O)N[C@H]2CCc3c(Cl)cccc32)cn1 49336179 BRGIRQKGONPRHR-ZDUSSCGKSA-N 311.794 2.039 0 40 DEAB Cn1cc(CN2CCCN(C(=O)c3ccc(Cl)o3)CC2)cn1 69444501 YRZPTKMFJHXQBH-UHFFFAOYSA-N 322.796 2.015 0 40 DEAB CC(C)CC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 6357811 WKQGSOSNTGPWGC-OAHLLOKOSA-N 309.431 2.248 0 40 DEAB Cc1ccc(OC2CCN(C(=O)c3cn[nH]n3)CC2)cc1C 65504289 XVSMLKFYRGTJDK-UHFFFAOYSA-N 300.362 2.105 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2cccn2C)N2CCCC2)o1 69536638 SAIFMCKLQKMNCB-OAHLLOKOSA-N 301.390 2.493 0 40 DEAB O=C(CN[C@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 69629117 OVPNRUFPGLAPNF-KRWDZBQOSA-N 306.381 2.115 0 40 DEAB CCOC(=O)C1=CNc2ncnn2[C@@H]1c1ccc(Cl)cc1 66324787 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O=C(NCC1(O)CCOCC1)C1(c2ccc(Cl)cc2)CC1 75229472 KDYMLFQGVDPCSJ-UHFFFAOYSA-N 309.793 2.029 0 40 DEAB O=C(O)c1coc(CN2CCO[C@H](Cc3ccccc3)C2)c1 568098579 KDINZGJTPDPGRF-OAHLLOKOSA-N 301.342 2.421 0 40 DEAB C[C@H](CN(C(=O)c1ccn(C2CCCC2)n1)C1CC1)C(=O)O 195551861 PKWHJQCMGUEXTR-LLVKDONJSA-N 305.378 2.324 0 40 DEAB CC[C@@H]1CCN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574884625 UMNQWYZCGQHDNV-CHWSQXEVSA-N 304.390 2.121 0 40 DEAB O=C(c1ccn2ccnc2c1)N1CCc2ccccc2[C@H]1CO 195567650 BBNZOQPDHTYPTI-MRXNPFEDSA-N 307.353 2.066 0 40 DEAB Cc1cccc(C)c1NCC(=O)NCc1cccnc1N(C)C 96424042 HYQXQTNDALFTAQ-UHFFFAOYSA-N 312.417 2.493 0 40 DEAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccsc3)C2)n1 96057629 KOPAEJOWKDFGGC-YNEHKIRRSA-N 319.386 2.227 0 40 DEAB O=C(O)c1sccc1CN1CCNC(=O)[C@H]1c1ccccc1 577958182 YACFBBCOFYXAOP-CYBMUJFWSA-N 316.382 2.119 0 40 DEAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)c1ccno1)CCO2 96160065 QIKMTSQPQDIAPP-CJNGLKHVSA-N 308.378 2.111 0 40 DEAB Cc1occc1C(=O)N1Cc2nc(CN3CCCC3)oc2C1 96086751 YMTJBZGCHRRGRB-UHFFFAOYSA-N 301.346 2.328 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)C[S@](=O)C1CCCC1 96475580 BDRWLENFSYHVOZ-JOCHJYFZSA-N 323.458 2.490 0 40 DEAB Cc1cc([C@](C)(O)CNC(=O)NC2CCSCC2)c(C)o1 96440519 LBLPYHQHUODYRJ-OAHLLOKOSA-N 312.435 2.299 0 40 DEAB CCN(C)c1ccccc1CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O 95438076 FYOLWTSJIAYRFQ-RDJZCZTQSA-N 319.449 2.445 0 40 DEAB Cc1ccc(CN2CC[C@]3(CC(=O)N(c4cncnc4)C3)C2)o1 96050829 FEYTYFQLCODAQO-KRWDZBQOSA-N 312.373 2.007 0 40 DEAB O=C1CC[C@@]2(CCCN(C(=O)NCc3ccccc3)CC2)N1 96217611 CECDYXBYTOHYGC-QGZVFWFLSA-N 301.390 2.031 0 40 DEAB Cc1ccc(C2(CNC(=O)N3C[C@@H](O)C[C@H]3C)CC2)c(C)c1 579562895 IFTIFBKSLJVHBC-CABCVRRESA-N 302.418 2.500 0 40 DEAB CN1C[C@H](c2nc[nH]n2)c2cc(C(=O)NC3CCCC3)ccc21 96267726 QLGRGOIGWPXNAA-AWEZNQCLSA-N 311.389 2.059 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C3CCC3)C[C@H]21 96043373 LRZIFHVFELYEEX-IXDOHACOSA-N 315.417 2.300 0 40 DEAB O=C(C1CC1)N1CCC[C@]2(C[C@@H](OCc3cccnc3)CO2)C1 96107286 KCRNJQJYDNYXHZ-AEFFLSMTSA-N 316.401 2.158 0 40 DEAB O=C(NCc1ccco1)[C@H]1CO[C@H]2CCN(CC3CC3)C[C@H]2C1 96066026 HFJJVNLMSJSAQO-INMHGKMJSA-N 318.417 2.033 0 40 DEAB Cn1nc(C(=O)N2CCC(=Cc3ccccc3)CC2)ccc1=O 96454723 IGHPWWQLCNZNIZ-UHFFFAOYSA-N 309.369 2.100 0 40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3ccncn3)cn2c1 257332178 XWCCZVVMSLIDCJ-OAHLLOKOSA-N 307.357 2.410 0 40 DEAB CN(C)C1CCN(C(C)(C)CN[C@@H]2CCN3CCC[C@H]3C2)CC1 252487320 VLFKBJYQSRUVMU-AEFFLSMTSA-N 322.541 2.007 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC(c2cnccn2)CC1 257255953 KJNLGFJMYYAWKL-UHFFFAOYSA-N 300.362 2.355 0 40 DEAB Cc1nn(C)cc1C(=O)N1CCC(C)(c2nccs2)CC1 257205227 AYDIIVBOSOIHEQ-UHFFFAOYSA-N 304.419 2.379 0 40 DEAB CCn1cncc1CN1CC[C@](O)(COc2ccccc2C)C1 585275696 DKOFUKMNWITZNC-GOSISDBHSA-N 315.417 2.227 0 40 DEAB CO[C@]1(COc2cccc(C)c2)CCN(Cc2cc[nH]n2)C1 585274417 KTKNKNZRRRKGKR-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB CCn1ccnc1CN1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585278893 IISUDRNBVFYIFA-NVXWUHKLSA-N 317.408 2.468 0 40 DEAB O=c1n(Cc2ccc(Br)s2)nc2ccccn12 43678681 PPJBMBWUSKMRJC-UHFFFAOYSA-N 310.176 2.368 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NCc1ncnn1C 189957710 LZCWFFRJIOTZRU-HUUCEWRRSA-N 313.449 2.061 0 40 DEAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cscn1 12142064 QCJTUDLIZYSQLQ-SNVBAGLBSA-N 317.370 2.260 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)CNC(=O)C1CCCCC1 12787902 NPPXRGOSPAQGKG-UHFFFAOYSA-N 306.381 2.481 0 40 DEAB COc1ccc(OCC(=O)NCCCN2CCC(C)CC2)cc1 13670005 SUFOPNKTJJEMGE-UHFFFAOYSA-N 320.433 2.312 0 40 DEAB COC(=O)C[C@H]1C(=O)N(c2ccccc2)C(=S)N1CC(C)C 17877316 UQPXLDRCFBNXBW-ZDUSSCGKSA-N 320.414 2.208 0 40 DEAB O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1Cl 207291346 XJSWXBVILJZLBI-WTTBSCSTSA-N 318.760 2.016 0 40 DEAB CCCN1CCC(CNC(=O)c2cc(C(C)C)nn2C)CC1 19502623 GQBCBPXPQUOLQR-UHFFFAOYSA-N 306.454 2.395 0 40 DEAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)c1ccc(F)cc1F 575605286 CKCYRAPZLPZOPV-CQSZACIVSA-N 324.371 2.196 0 40 DEAB c1ccc(-c2nc(NCCCn3ccnc3)c3nn[nH]c3n2)cc1 1857788532 VASRKYLUDKHLHF-UHFFFAOYSA-N 320.360 2.114 0 40 DEAB COCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 2696211 JRAGVIAVHGDISQ-UHFFFAOYSA-N 307.371 2.404 0 40 DEAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(F)cc1 8902637 NHNCREVCDYFSAN-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB CCOC(=O)c1ncn2c1CN(C)C(=O)c1cc(Cl)ccc1-2 5114833 QORLMYYHZLDYOR-UHFFFAOYSA-N 319.748 2.288 0 40 DEAB in-vivo O=C(N[C@H](CO)c1ccccc1)c1csc([C@H]2CCCO2)n1 97232940 UBNMLZFBNINULN-TZMCWYRMSA-N 318.398 2.458 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 28429 PJICCQDHPYLPTH-LSDHHAIUSA-N 316.382 2.076 0 40 DEAB CCSc1cc(Cl)ccc1C(=O)N[C@H](C)C(=O)NC 97141685 JQOYPEQZPPQCMD-MRVPVSSYSA-N 300.811 2.316 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccon3)C2)nc1 78969083 CCFJJUWLNRKIIK-CYBMUJFWSA-N 300.362 2.229 0 40 DEAB O=C(O)CCN1C(=O)S[C@H](Nc2ccc(Cl)cc2)C1=O 1858077 AYBCGDRCUYIRES-JTQLQIEISA-N 314.750 2.248 0 40 DEAB O=C(N[C@H]1CCc2c(F)cccc21)c1ccnc(-n2cncn2)c1 55693035 OTIKGTVTLUEYCK-HNNXBMFYSA-N 323.331 2.219 0 40 DEAB CSc1ccc(/C=c2/sc3n(c2=O)CC(C)(C)CN=3)cc1 34869342 VDYSWKNVCSVUSN-MDWZMJQESA-N 318.467 2.120 0 40 DEAB COc1ccc(C)cc1NC(=O)CSc1cc(C)[nH]c(=O)n1 4314735 MDSNMLSGYKIYJY-UHFFFAOYSA-N 319.386 2.126 0 40 DEAB O=C(COC(=O)/C=C/c1cccc(F)c1)NCc1ccco1 6642877 FPHIHEDTRCMTCU-VOTSOKGWSA-N 303.289 2.292 0 40 DEAB COCCCNS(=O)(=O)c1cc(Br)ccc1C 7667704 KTRNMXUAOQBZIC-UHFFFAOYSA-N 322.224 2.072 0 40 DEAB O=C(Nc1c(F)cccc1F)c1cccc(-n2cnnn2)c1 57358878 VCTGDPZCQJUYMD-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB CC(=O)N[C@H](CC(=O)NCCc1ccccn1)c1ccccc1 58111770 KNIIWQOUDVGKCT-QGZVFWFLSA-N 311.385 2.008 0 40 DEAB CC(C)n1ncc2c(C(=O)NCCCO)cc(C3CC3)nc21 97176403 OVMOYAODMBNJHX-UHFFFAOYSA-N 302.378 2.002 0 40 DEAB CC(C)[C@@H](C)N(CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 26670815 IAIJGAIKWKYEDY-CYBMUJFWSA-N 315.417 2.481 0 40 DEAB COc1ccccc1NC(=O)Cn1cnc2sccc2c1=O 9737669 YMIMXNOOIGJSTJ-UHFFFAOYSA-N 315.354 2.105 0 40 DEAB CCCNC(=O)[C@@H](C)Sc1nc(O)c2cc(F)ccc2n1 58432854 INQFTPFNSIHZKN-MRVPVSSYSA-N 309.366 2.481 0 40 DEAB C[C@H]1CN([C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCO1 36390263 PGNJIJMKGRDEEP-WDEREUQCSA-N 314.332 2.336 0 40 DEAB Cc1csc(=O)n1CCC(=O)N1CCOc2ccccc21 36763844 XMNVPMGSWCXYOY-UHFFFAOYSA-N 304.371 2.034 0 40 DEAB CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(C)c1C 11480182 WRLKSCWPEOYUHI-UHFFFAOYSA-N 316.357 2.475 0 40 DEAB Cc1ccc(-c2cnn3c(O)cc([C@H]4CC(=O)N(C)C4)nc23)cc1 100775615 MFLTXXNAMLOKEZ-ZDUSSCGKSA-N 322.368 2.356 0 40 DEAB COc1ccc(CCNC(=O)CCc2c(C)nn(C)c2C)cc1 29657199 FDJIHTCJFXNXTH-UHFFFAOYSA-N 315.417 2.337 0 40 DEAB CC1(C)NC(=O)N(CCN2CCC[C@@H]2c2ccsc2)C1=O 48299840 JUAKFCHVEVETFC-GFCCVEGCSA-N 307.419 2.215 0 40 DEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 3460374 YQXMZYOVRDVEDD-GOSISDBHSA-N 323.352 2.092 0 40 DEAB COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1OC 4073272 YRNZWOUDAACXRP-KSSFIOAISA-N 319.401 2.471 0 40 DEAB biogenic CCOc1cccc(CN2CCN(Cc3ccon3)CC2)c1 93560790 FKYPCNBZOWGSSL-UHFFFAOYSA-N 301.390 2.391 0 40 DEAB CC(C)c1cccc(N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)c1 65410901 WMQLRTBEKCXQMS-UHFFFAOYSA-N 311.389 2.416 0 40 DEAB Cn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S 5574865 MFPGVHFLSXVAMM-UHFFFAOYSA-N 323.399 2.057 0 40 DEAB CCNC(=O)NC(=O)CSc1cc(C)c2ccccc2n1 6788518 LZYYWKJZEZTCEX-UHFFFAOYSA-N 303.387 2.481 0 40 DEAB Cc1ccc([C@H](OC[C@@H](O)CNCCO)c2ccccc2)cc1 6936168 AFNARYZLVYNTOL-RBUKOAKNSA-N 315.413 2.044 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)c1 6939766 YXGDPGQEOKIBEX-GFCCVEGCSA-N 318.398 2.456 0 40 DEAB COc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 7400719 QIAVOVMLELTTJN-LBPRGKRZSA-N 302.374 2.425 0 40 DEAB O=C(COc1cccc(Cl)c1Cl)NC(=O)NC1CC1 7506089 KVOXKZKIVPUZFB-UHFFFAOYSA-N 303.145 2.360 0 40 DEAB CC(C)(CNCc1c[nH]nc1-c1ccccc1)N1CCOCC1 71839146 FJRLIHZULCKHQC-UHFFFAOYSA-N 314.433 2.277 0 40 DEAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1CCOC1 71884281 ZRFYDNIMJAPFCN-LBPRGKRZSA-N 315.772 2.491 0 40 DEAB CC(=O)N1CCCN([C@@H](C)c2nc(-c3cccs3)no2)CC1 71801957 NEZQTBQZGNIZIE-NSHDSACASA-N 320.418 2.413 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@@H]2Cn2cccn2)CC1 71866653 UWJBGUCPNXQUAY-QGZVFWFLSA-N 318.465 2.242 0 40 DEAB O=C(c1ccccc1-n1cccn1)N1CCC[C@@H]1Cn1cccn1 71866548 XFSMPLREPWSJHK-OAHLLOKOSA-N 321.384 2.374 0 40 DEAB Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)n1 71835031 HJZATTNUCSXPLL-CHWSQXEVSA-N 301.346 2.481 0 40 DEAB COc1ccc(S(=O)(=O)NCc2ccccc2)c(OC)c1 17031560 DJINJDNGAIBRCS-UHFFFAOYSA-N 307.371 2.182 0 40 DEAB Cc1cc(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)ccc1Cl 17011104 ZIOXQGIHIRUNLG-HZSPNIEDSA-N 313.825 2.497 0 40 DEAB CCC(=O)N1CC[C@H](N[C@H](C)c2nc(CC)no2)[C@@H](CC)C1 83830481 NCKXJDBNIRLZBN-AGIUHOORSA-N 308.426 2.320 0 40 DEAB O=C(NCc1ccccc1F)N1CCN(Cc2ccco2)CC1 17117934 NKLQEUBECLRYCT-UHFFFAOYSA-N 317.364 2.446 0 40 DEAB O=C(Nc1cc[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 69520888 VHOBEKQUWYNMLY-UHFFFAOYSA-N 311.345 2.420 0 40 DEAB COc1ccc(NC(=O)NCCNc2ncccn2)c(Cl)c1 69618382 HFQWSJWERNADFJ-UHFFFAOYSA-N 321.768 2.372 0 40 DEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)cc1)n2C 8705496 QAVCQKNPUQVZRT-UHFFFAOYSA-N 312.373 2.199 0 40 DEAB Cc1cc(CNCC2(O)CCOCC2)ccc1Br 72737949 UZIOLIWOYURIAE-UHFFFAOYSA-N 314.223 2.389 0 40 DEAB O=C(Cc1cccnc1)Nc1ccc2c(c1)S(=O)(=O)C=C2 95398243 KQTPVNQZPUHGBL-UHFFFAOYSA-N 300.339 2.021 0 40 DEAB O=S(=O)(NC[C@@H]1CCC[C@H]1O)c1cccc2ccccc12 95441178 BAPWNNZDNUTWMQ-DZGCQCFKSA-N 305.399 2.279 0 40 DEAB COc1ccccc1-c1cc(C(=O)NCCc2ccccn2)n[nH]1 95473639 VLHBLBRJOOAIOM-UHFFFAOYSA-N 322.368 2.453 0 40 DEAB O=C(COc1ccccc1F)N1CCCC[C@H]1c1nc[nH]n1 95456583 ZSWSGFHYZRAVAV-LBPRGKRZSA-N 304.325 2.076 0 40 DEAB C[C@@H]1CCC[C@@H](C(=O)NCCS(=O)(=O)Nc2ccccc2)C1 95401271 VCRWPLZKQLTGJP-ZIAGYGMSSA-N 324.446 2.371 0 40 DEAB CC(C)COc1cncc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1 86187045 OKMBJJIDZGJPPN-AWEZNQCLSA-N 315.421 2.314 0 40 DEAB O=C1CCC(c2ccc(NC(=O)CCc3ccco3)cc2)=NN1 75094380 OHGGJYDTEAQCCO-UHFFFAOYSA-N 311.341 2.465 0 40 DEAB Cc1cc(C)c(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c(=O)[nH]1 89568520 HAKNCTFXXATLKK-ZFWWWQNUSA-N 314.385 2.234 0 40 DEAB O=c1ccnc2sc(N3CCS[C@@H]4CCCC[C@@H]43)nn12 75108468 FJROPQZMCIEQCC-VHSXEESVSA-N 308.432 2.015 0 40 DEAB COc1ccccc1NCC(=O)NC[C@@H](O)c1ccccc1C 89689190 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COC[C@@H](C)NC(=S)Nc1ccc(Br)cn1 225194923 YVGNMZKAYSNZMQ-SSDOTTSWSA-N 304.213 2.165 0 40 DEAB C[C@H](C1CC1)N(C)C(=O)CCCn1nnc(-c2ccccc2)n1 69420858 QXDDFHNCZRGUBC-CYBMUJFWSA-N 313.405 2.377 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 223032919 IXNPMLPEXTWXAE-CABCVRRESA-N 316.430 2.337 0 40 DEAB CC(C)[C@H](NC(=O)/C=C/c1cnc(C(C)(C)C)s1)C(N)=O 80109859 NXEAHCROTOFHFO-SYTKJHMZSA-N 309.435 2.080 0 40 DEAB CCOC(=O)c1cc(OC)ccc1I 82046598 ULUXIBYOAQNUIZ-UHFFFAOYSA-N 306.099 2.477 0 40 DEAB COc1cc(C(=O)NCc2cnc(N(C)C)n2C)ccc1Cl 195546363 FJSSRRWKAZPEJX-UHFFFAOYSA-N 322.796 2.078 0 40 DEAB CCCNC(=O)c1cccc(C(=O)NCCc2cscn2)c1 96420796 IQMFFRQKKRXXNG-UHFFFAOYSA-N 317.414 2.255 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)Oc1cccc2c1CCCC2 96445121 KCXWRIYQQGJBKV-GFCCVEGCSA-N 308.399 2.296 0 40 DEAB COCCN1CC[C@@H]2OCCC[C@]2(COCc2cccnc2)C1 96040121 IDIYRJKYAQCZTE-ZWKOTPCHSA-N 320.433 2.116 0 40 DEAB Cc1oncc1CN1CCN(C(=O)CCc2ccccc2)CC1 98211890 DHQLLXWDEIVHPU-UHFFFAOYSA-N 313.401 2.260 0 40 DEAB 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COc1ccc([C@@H]2Cn3ccnc3CN2Cc2cnn(C)c2)cc1 643914289 NYFSWGAIPFAXSV-KRWDZBQOSA-N 323.400 2.382 0 40 DEAB CCc1cc(N2C[C@H]3CN(c4ncnc(C)c4C)C[C@@H]3C2)ncn1 1888853300 XYZIUFFHILUYLF-GJZGRUSLSA-N 324.432 2.018 0 40 DEAB Cc1nc(N2CCN(CC(F)(F)F)CC2)c2ccncc2n1 1888853529 UTGQWXQKSVWNQD-UHFFFAOYSA-N 311.311 2.018 0 40 DEAB COc1ccc(CNC(=O)c2cc(C)c(F)cn2)c(OC)c1 1888883444 XRNNCLQQJBELPD-UHFFFAOYSA-N 304.321 2.476 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(c2ncccn2)CC1 1889078108 PPLNSLAKKULQNA-UHFFFAOYSA-N 304.785 2.025 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCCOc2ccccc2)c(C)c1 3073538 QJRDLDJHVJNCND-UHFFFAOYSA-N 312.369 2.437 0 40 DEAB CSc1ccccc1NC(=O)C(=O)NCc1cccnc1 9858048 BPTPOKGFDZJBJQ-UHFFFAOYSA-N 301.371 2.058 0 40 DEAB Cc1cc(-c2nnc(NC(=O)CCc3ccccc3)o2)nn1C 13591959 KXMLHQWAQOFBFA-UHFFFAOYSA-N 311.345 2.350 0 40 DEAB Cn1nc(-c2ccncc2)cc1CNC(=O)Cc1cccs1 1775966742 XARLBLDJGZDABB-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)s1 40215700 OULKHZFSJWQEEY-SNVBAGLBSA-N 324.427 2.195 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccccc2F)C[C@@H](C)O1 21055128 YDCUGGFPZRJTDI-CHWSQXEVSA-N 308.397 2.443 0 40 DEAB COC(=O)C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1 21056413 ZFLVERMTDADZMN-UHFFFAOYSA-N 317.172 2.414 0 40 DEAB NC(=O)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 32721928 LRTXAAXPMRXDOX-UHFFFAOYSA-N 306.362 2.378 0 40 DEAB COCCOCCCNC(=O)c1ccc2nc(C)c(C)nc2c1 53658238 ARAJQNGWWIYCTH-UHFFFAOYSA-N 317.389 2.030 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NC1CCN(C(=O)C(C)C)CC1 23132291 CODGQTYIDSYBQH-UHFFFAOYSA-N 321.421 2.483 0 40 DEAB CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccccc2)cc1 3240615 VOGXAAXIRPTQAK-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H](C)n1c(C)cc(C)nc1=O 938772 BWLCMJDOXCXBMF-CYBMUJFWSA-N 315.373 2.459 0 40 DEAB C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@@H](O)Cc1ccccc1 78757615 VKKXBERPLVBBPC-CJNGLKHVSA-N 317.360 2.313 0 40 DEAB CCc1nc(C(=O)Nc2cn[nH]c2)nn1-c1ccccc1Cl 79330234 YDHXLPJEKRBUSY-UHFFFAOYSA-N 316.752 2.459 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCCNc2cnccn2)o1 56497100 DOYMDOZOROYFFB-FLBZCCBISA-N 312.373 2.435 0 40 DEAB Cn1cnn(CN(Cc2ccccn2)[C@@H]2CCSC2)c1=S 57087095 LIRUQIDPDMLXKJ-CYBMUJFWSA-N 321.475 2.311 0 40 DEAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-n2cnnn2)cc1 6890490 HWUULRRFYXHWLG-QGZVFWFLSA-N 319.368 2.470 0 40 DEAB C[C@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)C[C@H](C)O1 44819839 PCGXMBZEMDWTQE-STQMWFEESA-N 316.401 2.309 0 40 DEAB COc1c(CNC[C@H](c2ccc(C)cc2)N(C)C)c(C)nn1C 58297455 AQGFYIOEWQLERW-QGZVFWFLSA-N 316.449 2.438 0 40 DEAB Cc1nccn1-c1ccc(NC(=O)c2cn3ccccc3n2)cn1 58244455 SQIWMMHCMAGHSO-UHFFFAOYSA-N 318.340 2.476 0 40 DEAB Cc1noc(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2)n1 27894178 CBYUMZSPAMJPHS-HZMBPMFUSA-N 301.346 2.342 0 40 DEAB CC(C)C[C@H](NC(=O)NCCS(C)(=O)=O)c1ccccc1 60212124 QONPURYKBTXERW-AWEZNQCLSA-N 312.435 2.118 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)cn1 108531593 LVWNSEGSHSBUJQ-INIZCTEOSA-N 317.433 2.105 0 40 DEAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc(CCO)cc1 60366928 MEIQBPSUVKXENI-MRXNPFEDSA-N 311.337 2.462 0 40 DEAB Cc1ccc(OCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1C 12050963 ISHHGNNHRDXYHP-QGZVFWFLSA-N 312.369 2.025 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)Nc1cccnc1 95459128 ZAFDJIURFJQKSE-CQSZACIVSA-N 315.377 2.037 0 40 DEAB O=C(N[C@@H](CO)Cc1ccccc1)c1ccn(C2CCCC2)n1 95452605 OHHVNACBBDOJNM-OAHLLOKOSA-N 313.401 2.332 0 40 DEAB Cc1nc(C)c(-c2nn3c(-c4cnn(C)c4)nnc3s2)s1 95478080 XMZWWXDMXLOAMK-UHFFFAOYSA-N 317.403 2.327 0 40 DEAB Cc1nc(CN2C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)no1 110714788 QMABBXCZQHYOOM-AVGNSLFASA-N 322.409 2.113 0 40 DEAB Cc1cc2nc(C)c(CCC(=O)NCc3ccco3)c(C)n2n1 12930660 AUZUOWZHBGWFKC-UHFFFAOYSA-N 312.373 2.497 0 40 DEAB COc1cccc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)c1 12982384 ADVASTZIONGEJR-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB CCc1nc(C(=O)N(CC)Cc2cccc3c2OCCO3)c[nH]1 89279797 VTKUABJMCWAWLV-UHFFFAOYSA-N 315.373 2.406 0 40 DEAB CC(C)c1ccc(NC(=O)CSc2nc(N)cc(N)n2)cc1 3605726 HVQZRVYXSDNSNS-UHFFFAOYSA-N 317.418 2.495 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 13084269 BGMOYRKTMXRTJN-SMDDNHRTSA-N 321.373 2.467 0 40 DEAB O=c1[nH]c(=S)n(C2CC2)c(O)c1[C@@H]1NCCc2ccccc21 5025590 LQALDRMCWZWTAE-CYBMUJFWSA-N 315.398 2.181 0 40 DEAB CCCN(CC1CC1)C(=O)CN1CCC[C@@H]1c1cnn(C)c1 71799335 XYRFYKIBLYMBGD-MRXNPFEDSA-N 304.438 2.206 0 40 DEAB Cn1ccnc1SCc1nc(N)nc(Nc2ccccc2)n1 5270263 GQWPZLYCYUCKGA-UHFFFAOYSA-N 313.390 2.223 0 40 DEAB CCc1ccc(C(=O)N(C)[C@H](C(N)=O)c2cccc(F)c2)o1 71883931 RRFCJGWQMHUQOP-AWEZNQCLSA-N 304.321 2.280 0 40 DEAB Cc1nc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)cs1 14775374 GBUVFWBDGONIML-YBJDMEARSA-N 316.382 2.421 0 40 DEAB Cc1ccc2cccc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)c2n1 66462620 YVWWOINEJXVMKB-CYBMUJFWSA-N 309.369 2.493 0 40 DEAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(N)=O 4871162 RDRBCZSOLFAWBR-UHFFFAOYSA-N 312.684 2.085 0 40 DEAB COc1ccc(NC(=O)c2ccccn2)c(C(=O)NC2CC2)c1 71883074 LQNWDBCFKJHWFX-UHFFFAOYSA-N 311.341 2.235 0 40 DEAB Cc1noc([C@H](C)NC(=O)NCc2cccc3cccnc23)n1 71892318 VZOLACMQTGONEU-JTQLQIEISA-N 311.345 2.487 0 40 DEAB COC[C@@H]1CN(Cc2cc(F)cc(Br)c2)CCO1 83897988 GIJOUUIAHDYSLK-ZDUSSCGKSA-N 318.186 2.435 0 40 DEAB CCC[C@@](C)(NC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)O 95969844 DHKIKJSUMVIXRC-CQSZACIVSA-N 317.336 2.197 0 40 DEAB CC(C)N(C(=O)Cn1nc(-c2cccs2)oc1=O)C(C)C 7251320 ZNEJSZOYNHZVPE-UHFFFAOYSA-N 309.391 2.210 0 40 DEAB O=C(Cn1cnnn1)Nc1ccc(SC2CCCC2)cc1 69322792 ZVWKBIJDMRBVKU-UHFFFAOYSA-N 303.391 2.347 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](CC(N)=O)C1CC1 72297856 VBOIDIYTHURYBW-KRWDZBQOSA-N 323.396 2.441 0 40 DEAB CN(C(=O)[C@H]1Cc2ccccc2S1)c1ccc(C(N)=O)cc1 95953809 YVMJGMIAAJTFMS-OAHLLOKOSA-N 312.394 2.465 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C 97012028 QYNGFYVPIABOIJ-CYBMUJFWSA-N 321.421 2.415 0 40 DEAB COc1ccc(-c2nc(CNC(=O)[C@H]3CC=CCC3)n[nH]2)cc1 69772170 QQKOHNKOLLILNY-ZDUSSCGKSA-N 312.373 2.453 0 40 DEAB CCCNC(=O)CNC(=O)Cc1csc(-c2cccs2)n1 9049701 WQMCKPMYCZXAPA-UHFFFAOYSA-N 323.443 2.057 0 40 DEAB COc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)on1 96012431 QUVMTRVHSOISFE-SECBINFHSA-N 306.322 2.167 0 40 DEAB CCOc1ccc(C(=O)Nc2ccnc3ccnn23)cc1OC 75127132 GQRUNRDDLHOLED-UHFFFAOYSA-N 312.329 2.389 0 40 DEAB CC[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1cccs1 89947946 UMPIRJMXXVGCNL-JQWIXIFHSA-N 307.419 2.262 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@@H](O)C2CCCCC2)cc1 69970025 PQOXWROBWQMJTD-MRXNPFEDSA-N 318.417 2.245 0 40 DEAB Cc1cc(-n2cc(C(=O)NCc3ccncc3)nn2)ccc1F 67262030 XJLHHCPWSLHXED-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CC[C@H](Sc1cnn[nH]1)C(=O)Nc1nnc(C(C)C)s1 1505840577 WEFFGURGZSJLNI-ZETCQYMHSA-N 312.424 2.289 0 40 DEAB C[C@@H](O)C1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 521047898 VBGLROUXFZEOJA-CYBMUJFWSA-N 303.402 2.174 0 40 DEAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@@H]1c1ccc(F)cc1 218559792 PWFDLSUZCPYBIC-OWCLPIDISA-N 306.358 2.374 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)NC1CCOCC1 78925057 AWFGVTVJJQKFJV-OAHLLOKOSA-N 317.433 2.081 0 40 DEAB CCOC(=O)[C@H]1[C@@H](Oc2ccccc2)C(=O)N1c1ccccc1 218274100 FEWGDXZMRMBMHW-HZPDHXFCSA-N 311.337 2.413 0 40 DEAB 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300.406 2.469 0 40 DEAB C[C@@H]1CC[C@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 136175541 NHIPRBYVXLJJST-CKYFFXLPSA-N 320.776 2.406 0 40 DEAB NC(=O)Cc1ccccc1NC(=O)c1cccc(-n2cccn2)c1 69972057 GECWLLQTYNXMJQ-UHFFFAOYSA-N 320.352 2.152 0 40 DEAB C[C@H](NC(=O)c1cc(N2CCOCC2)on1)c1ccccc1 224071707 XDIBTRHZVKNHLS-LBPRGKRZSA-N 301.346 2.002 0 40 DEAB Cc1cccc(C(=O)N2CC[C@H]3[C@H]2CCN3c2ncccn2)c1 96184829 UCAIKIWOHHWERW-CVEARBPZSA-N 308.385 2.278 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H]1C1CCC1)C(=O)N1CCCCC1 96404061 WNIIDFSDECEZQI-UKRRQHHQSA-N 307.438 2.362 0 40 DEAB O=C(CCNC(=O)N1C[C@H]2CC=CC[C@H]2C1)NC1CCCC1 96439386 FSVRKSUNLXSZBP-OKILXGFUSA-N 305.422 2.043 0 40 DEAB Cc1ccc(C(=O)N2CC[C@]3(CCN3c3ncccn3)C2)cc1 96076163 YUEYHXAOUSUJDO-SFHVURJKSA-N 308.385 2.280 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CN(C2CCCC2)C[C@H]2OCC[C@H]21 96038903 AKLAQPFNVBGAQY-GVDBMIGSSA-N 318.417 2.175 0 40 DEAB c1ccc2[nH]c(CN3CCN(C[C@@H]4CCCOC4)CC3)nc2c1 96490482 WRHCMSOGOLDFQB-HNNXBMFYSA-N 314.433 2.107 0 40 DEAB Cn1cc(NC(=O)N2CC[C@@H](COCc3ccccc3)C2)cn1 96433870 UZGJPYVPZKFUGD-OAHLLOKOSA-N 314.389 2.491 0 40 DEAB CN(C)C(=O)CN1CCc2c(Br)ccc(F)c2C1 97374722 ZVBMAWJKEFEWEA-UHFFFAOYSA-N 315.186 2.035 0 40 DEAB CCOc1cc(CCCNC(=O)c2c[nH]c(C)n2)ccc1OC 96413359 IUUVRLWUFAPWJX-UHFFFAOYSA-N 317.389 2.488 0 40 DEAB CO[C@@H]1COC2(CCN(C(=O)Cc3ccc(F)cc3C)CC2)C1 96208874 NSNCRHWKMDZCPY-INIZCTEOSA-N 321.392 2.473 0 40 DEAB CCC(CC)CNC[C@@H]1Cn2nnc(-c3ccoc3)c2CO1 96199219 XGERPZKAXVZCMW-CQSZACIVSA-N 304.394 2.463 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCC2(CCN(C3CCC3)CC2)O1 96110001 GKZFHJUGUOHEEP-MRXNPFEDSA-N 318.417 2.462 0 40 DEAB CC[C@@H]([C@@H](N)c1ccc(Br)cc1)S(C)(=O)=O 96524861 CMAONDQEWJWNJQ-QWRGUYRKSA-N 306.225 2.272 0 40 DEAB CCCCSCCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 96416418 IBXZGTUCHDPQOW-CQSZACIVSA-N 322.478 2.485 0 40 DEAB Cc1ccc(N[C@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)nn1 96048474 OHVILCRBBWGLLA-NVXWUHKLSA-N 302.422 2.230 0 40 DEAB Cc1cc(C(=O)N2Cc3ccnn3[C@@H](CCN(C)C)C2)c(C)o1 248111385 KIJDDEINUADPPP-HNNXBMFYSA-N 316.405 2.242 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2cccs2)n1 257336349 YOAVLMWUCAVXMO-ZDUSSCGKSA-N 305.403 2.312 0 40 DEAB Cc1nc([C@@H]2CCNC2)nc2c1CCC(=O)N2CCC(C)C 257275393 NPFHXDMCGLWDBY-CYBMUJFWSA-N 302.422 2.187 0 40 DEAB CN(C)c1cccc([C@@H]2CN(Cc3cscn3)CCO2)n1 257253061 JXKWTWWYEGSAGQ-AWEZNQCLSA-N 304.419 2.178 0 40 DEAB CN(C)Cc1cncc([C@@H]2CCCN2Cc2ncccc2F)n1 257220124 DJPXJYMMOADQME-KRWDZBQOSA-N 315.396 2.409 0 40 DEAB O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)n1cncn1 256055607 MZECDIHTMPOIGY-UHFFFAOYSA-N 312.565 2.475 0 40 DEAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3ccsc3)C2)n1 390828979 VMJVFVYHBMBCST-ZDUSSCGKSA-N 303.387 2.448 0 40 DEAB COCCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@@H]2C 585097215 GNZMPQUGSDYJRI-LLVKDONJSA-N 303.362 2.190 0 40 DEAB CO[C@@]1(COc2ccccc2)CCCN(C(=O)c2cnc[nH]2)C1 585273881 FLCKGHRQYMLBAP-KRWDZBQOSA-N 315.373 2.110 0 40 DEAB CO[C@]1(COc2cccc(F)c2)CCN(Cc2ncc[nH]2)C1 585273078 ABXILBBFACJYPN-MRXNPFEDSA-N 305.353 2.219 0 40 DEAB CN1CC[C@@]2(CCCN(C(=O)Cc3ccccc3)CC2)C1=O 585102544 NEKCOMDFABCVGY-GOSISDBHSA-N 300.402 2.090 0 40 DEAB FC(F)(F)Cn1nnnc1-c1ncccc1Br 685938486 VBLAJIPEIZVOKQ-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB CCc1cc(CNC(=O)NC[C@H](C)Oc2ccccc2F)[nH]n1 72304217 WCIALOXBDWRRIL-NSHDSACASA-N 320.368 2.378 0 40 DEAB Cc1nc(C(C)(C)C)sc1C(=O)NCCNC(=O)C1CC1 61132254 HELLRLGEBIUUMU-UHFFFAOYSA-N 309.435 2.005 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)[C@H](C)N(C)CCC(=O)NC(N)=O 78988405 OZBPLIUIDPOLDW-MNOVXSKESA-N 311.813 2.349 0 40 DEAB CC[C@@H](NC(=O)NCc1cccnc1N(C)C)c1ccncc1 78940135 ZFTYNPUXDXPRMX-OAHLLOKOSA-N 313.405 2.493 0 40 DEAB C[C@H](CCCO)NC(=O)c1cc(Cl)c2c(c1)OCCCO2 79095188 CWESQZQXLYDUNM-SNVBAGLBSA-N 313.781 2.392 0 40 DEAB O=C(NCc1ccco1)C(=O)Nc1nc2ccccc2s1 5740097 NYYSOYLZWBFRFE-UHFFFAOYSA-N 301.327 2.144 0 40 DEAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2cc[nH]n2)C1 12116514 QFDXXZOMSSROKM-LBPRGKRZSA-N 301.321 2.284 0 40 DEAB O=C(Nc1cccc(F)c1)c1ccc(F)cc1-n1cnnn1 12390278 PHTIUYDCBSPRSC-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB CCOC(=O)[C@H](C)NC(=S)c1nc2ccccc2nc1C 16682171 JIRAYMRTXMDONW-JTQLQIEISA-N 303.387 2.155 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)c3sc(C)nc3C)C2)nn1 225424176 JXOVJJCDBIPUKW-GFCCVEGCSA-N 318.402 2.152 0 40 DEAB Cc1cccn2c(=O)nc(SCC(=O)c3ccccc3)nc12 4504149 XHVWWRUJRDGDQL-UHFFFAOYSA-N 311.366 2.373 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)cc1C 5401724 DQXHGONEPFWWKD-UHFFFAOYSA-N 311.385 2.150 0 40 DEAB Cc1ccc(N2CC(Cn3cc(Br)cn3)C2)nc1 2298182296 OLTXALVWPOZYLW-UHFFFAOYSA-N 307.195 2.485 0 40 DEAB CCOc1ncccc1CNC(=O)c1cc2ccccc2c(=O)[nH]1 30308252 PIPMQBOIOUTXDJ-UHFFFAOYSA-N 323.352 2.252 0 40 DEAB CN1CCN(C(=O)Cc2ncc(C(F)(F)F)cc2Cl)CC1 20366268 UYZQPKSFAKPEFL-UHFFFAOYSA-N 321.730 2.070 0 40 DEAB NC(=O)[C@H]1CN(C(=O)c2ccc(C3CCCCC3)cc2)CCO1 50859042 RSDPZUATDLJXSR-MRXNPFEDSA-N 316.401 2.061 0 40 DEAB CC(C)Oc1ccc(CNC(=O)c2cc(C3CC3)[nH]n2)cn1 40541280 JVLLAIXPJNNBAW-UHFFFAOYSA-N 300.362 2.399 0 40 DEAB Cc1ccc(C2=N/C(=C(\Cl)N3CCOCC3)C(=O)O2)cc1 41155028 MEMZEIGRQOITGT-OUKQBFOZSA-N 306.749 2.039 0 40 DEAB O=C(Nc1cccc(Cn2cncn2)c1)Nc1nccs1 52797330 QFLGTWHNWKLGIK-UHFFFAOYSA-N 300.347 2.427 0 40 DEAB Cc1cccnc1NC(=O)CN1C(=O)CCOc2ccccc21 21893545 CJVVEXHBFKVMPJ-UHFFFAOYSA-N 311.341 2.144 0 40 DEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCC1 22464681 UEBPAMSISIFTCU-INIZCTEOSA-N 306.381 2.115 0 40 DEAB COc1cc(OC)c(CNC2CCN(C3CC3)CC2)c(OC)c1 22820182 GTDLNMOVNBCYPM-UHFFFAOYSA-N 320.433 2.429 0 40 DEAB O=C(NC[C@@]1(N2CCOCC2)CCSC1)Nc1ccccc1 31095302 AYCIOZWTSYVGJS-INIZCTEOSA-N 321.446 2.016 0 40 DEAB CC[C@@H]1Oc2ccccc2N(CC(=O)NC2CCCC2)C1=O 218947 LIWASZRXZABDFB-AWEZNQCLSA-N 302.374 2.249 0 40 DEAB Cc1csc(CNC(=O)NCc2ccc3c(c2)OCO3)n1 31029038 FSWIGPLUQLFVSY-UHFFFAOYSA-N 305.359 2.180 0 40 DEAB O=C(NCCNc1ccccn1)N[C@H]1CCOc2ccccc21 45571954 MRMKOIZLUWJGCF-AWEZNQCLSA-N 312.373 2.317 0 40 DEAB CCOC(=O)[C@H](NC(=O)CC)[C@@H](OC(=O)CC)c1ccccc1 4718998 XILBIJNJFDPPND-CVEARBPZSA-N 321.373 2.139 0 40 DEAB CS(=O)(=O)C[C@@](O)(c1ccc(Cl)cc1)c1ccccn1 6240514 QEGDPRMHBTYDPK-CQSZACIVSA-N 311.790 2.016 0 40 DEAB O=S(=O)(Nc1cccc2nc[nH]c12)c1ccc(Cl)nc1 96452979 OZLMOLULBLHTEU-UHFFFAOYSA-N 308.750 2.412 0 40 DEAB CC(C)CC(=O)NCCNC(=O)c1cc2ccccc2n1C 20745487 ZQLUNIYQISAGHQ-UHFFFAOYSA-N 301.390 2.070 0 40 DEAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nncs1 21215962 VMCZBUHDJYJYMB-SNVBAGLBSA-N 302.359 2.068 0 40 DEAB COCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 10951279 KQECFWBOKBGAOZ-UHFFFAOYSA-N 307.419 2.055 0 40 DEAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1csnn1 41154513 UZHHWFWGVZLCBN-LLVKDONJSA-N 308.432 2.167 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)C(c2ccccc2)c2ccccc2)C1 41131463 CDWQOUKKPXOEQM-INIZCTEOSA-N 308.381 2.152 0 40 DEAB Cn1ccnc1CN(Cn1nc2ccccn2c1=S)C1CC1 32932621 ACHGTSXMXFXZEC-UHFFFAOYSA-N 314.418 2.221 0 40 DEAB COCCNC(=O)Cn1ccc2cc(Br)ccc21 12321718 QCUWAIYYXOOUGX-UHFFFAOYSA-N 311.179 2.166 0 40 DEAB COc1cccc([C@@H](CNC(=O)c2cc(C)on2)N(C)C)c1 41951761 KTZBUFPQKCJLFN-OAHLLOKOSA-N 303.362 2.024 0 40 DEAB CCN(CC(=O)OC)C(=O)CCc1nc2ccccc2s1 42299236 VAPXTOCCNILOGJ-UHFFFAOYSA-N 306.387 2.250 0 40 DEAB COC(=O)CSc1nnc(NC(=O)c2cccc(C)c2)s1 113928814 SRANTOGTRXFLKC-UHFFFAOYSA-N 323.399 2.364 0 40 DEAB CCOCCCNC(=O)c1cccc(NC(=O)N2CCCC2)c1 47567794 JCSNNPONRUDMNU-UHFFFAOYSA-N 319.405 2.471 0 40 DEAB COc1ccc(Cl)cc1C(=O)NCCCNc1ncccn1 42757461 ZHTMCHISXKUUCL-UHFFFAOYSA-N 320.780 2.371 0 40 DEAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(F)cc2)cc1OC 72227205 KGVQAEUIDZKXHY-CVEARBPZSA-N 316.332 2.258 0 40 DEAB CC(C)c1cnc(NC(=O)c2ccc3c(c2)C(=O)NC3=O)s1 172741642 BDSMURRRJWLQMB-UHFFFAOYSA-N 315.354 2.402 0 40 DEAB COc1ccc(C(=O)Oc2ccc(C(N)=O)cc2)cc1OC 25970501 SKWIGHBNKWFDRW-UHFFFAOYSA-N 301.298 2.022 0 40 DEAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)N(C)C)o1 26491777 DXKUPLRTCBEJJU-SECBINFHSA-N 307.375 2.314 0 40 DEAB NC(=O)C1CCN(C(=O)CCc2ccc(Cl)s2)CC1 44268181 CWBYXSGXFUBZMX-UHFFFAOYSA-N 300.811 2.058 0 40 DEAB CC1CCN(C[C@@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1 57924650 ZGCWRNAAFCGMGK-IRXDYDNUSA-N 323.481 2.319 0 40 DEAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccccc1 58248853 KSNOPHGNSUIFSR-DLBZAZTESA-N 324.380 2.273 0 40 DEAB CN(C)C(=O)N1CC2(C[C@@H](CCOc3ccccn3)CCO2)C1 306129752 ILSZTPYKIYVZMA-AWEZNQCLSA-N 319.405 2.013 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1CN1CCCC1 58323961 WUGSSSLVXSJDAU-AWEZNQCLSA-N 313.401 2.457 0 40 DEAB COc1c(CNC[C@]2(N(C)C)CCC[C@H](C)C2)c(C)nn1C 58313351 BDXVLYXAQBVOOV-GUYCJALGSA-N 308.470 2.337 0 40 DEAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@H]1Cc2ccccc2O1 58379742 OTLPNYPVHHLJGL-MRXNPFEDSA-N 320.352 2.269 0 40 DEAB CCCc1c(C(=O)NCC(=O)NC(C)(C)C)[nH]c(C)c1C(C)=O 48269603 LNUOGWRHWISGDI-UHFFFAOYSA-N 321.421 2.123 0 40 DEAB O=C(c1ccco1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 13113207 WDZAGKBNOZUFQJ-UHFFFAOYSA-N 310.357 2.114 0 40 DEAB CN(C(=O)Cn1c(=O)oc2ccccc21)C(C1CC1)C1CC1 64975147 AMLBXXOBFVDUBH-UHFFFAOYSA-N 300.358 2.242 0 40 DEAB CC[C@H](OC[C@@H](O)CN1CCN(CC)CC1)c1ccccc1 22030794 VSEBAVWJBVADMN-ROUUACIJSA-N 306.450 2.153 0 40 DEAB CSc1nc(C)c(CCC(=O)Nc2ccccc2)c(=O)[nH]1 14084792 AYOOYHUCMWDRSF-UHFFFAOYSA-N 303.387 2.372 0 40 DEAB COc1ccc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cn1 14115299 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Cc1cc2cc(CN3CC[C@H](NS(C)(=O)=O)C3)oc2cc1C 93531236 SACCCDDRJSWYSU-AWEZNQCLSA-N 322.430 2.173 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)cn1 71869869 SHDKVCKUDMSJJO-HNNXBMFYSA-N 314.389 2.290 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cccnc2)C1 71909534 KANZSGIIVIKJLR-OLZOCXBDSA-N 304.394 2.287 0 40 DEAB CCN(CC(C)(C)O)C(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C 89961022 QBMHOELROCPFCL-STQMWFEESA-N 300.443 2.240 0 40 DEAB Cc1cccc(S(=O)(=O)CCCN2CCOCC[C@@H]2C)c1 97094685 CLCNIPFRNFWYMD-HNNXBMFYSA-N 311.447 2.270 0 40 DEAB CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC[C@]1(O)CCOC1 97036988 NAKIHMOHGQIKJI-SOLBZPMBSA-N 305.418 2.111 0 40 DEAB Cc1nccc(CNC(=O)NC[C@@H]2C[C@]23CCc2ccccc23)n1 84290745 OOLNXYWMSKBLRP-HNAYVOBHSA-N 322.412 2.488 0 40 DEAB C[C@@H](CNCc1cn(C)nc1-c1ccncc1)Cn1cccn1 97159971 IRGXBVHNXNXDJG-AWEZNQCLSA-N 310.405 2.105 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2nncn2c1 75602120 WZHOTUGORDSUKT-AWEZNQCLSA-N 324.388 2.057 0 40 DEAB COc1ncnc(N(C)C)c1NC(=O)[C@@H](C)c1ccccc1 97371467 BHCIGMMCBFUPET-NSHDSACASA-N 300.362 2.293 0 40 DEAB CC(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2F)CC1 84753014 QCLLLCQBBAYWFV-HUUCEWRRSA-N 304.365 2.056 0 40 DEAB CN(C(=O)NCC1(N2CCOCC2)CCCCC1)C1CCC1 73443502 RQVHRYRCCUVARS-UHFFFAOYSA-N 309.454 2.215 0 40 DEAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccn(C)c2=O)c1C 78712907 BNCJYYPYGONYSR-UHFFFAOYSA-N 320.414 2.420 0 40 DEAB CO[C@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)C(C)C 74029881 IHZOJEKIVUSYMD-DLBZAZTESA-N 304.434 2.438 0 40 DEAB CC1CCC2(CC1)OC[C@@H](CN[C@H](C(N)=O)c1ccccc1)O2 95990386 IQCPJOZVJMPGNB-FVWRDLLJSA-N 318.417 2.124 0 40 DEAB COCCOCCC(=O)N1c2ccccc2N(C)CC[C@H]1C 95961451 FMWXMRNVUJJOQJ-CQSZACIVSA-N 306.406 2.301 0 40 DEAB CC(C)OCCC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 79353314 KXMJDTRRMFUTBP-HNNXBMFYSA-N 305.422 2.102 0 40 DEAB O=C(CNC(=O)N1CCC[C@@H]1C1CCCCC1)N1CCCC1 79953572 BSMBGBOPTOTFLD-OAHLLOKOSA-N 307.438 2.363 0 40 DEAB Cc1cnn(CCC(=O)N(C)Cc2nc3ccccc3n2C)c1 78917871 GPYJRBHJJGTYTR-UHFFFAOYSA-N 311.389 2.127 0 40 DEAB CCOC(=O)N1CCN(c2cc(-c3ccccc3)ncn2)CC1 36708953 GLZAAGMJFCKLOQ-UHFFFAOYSA-N 312.373 2.422 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)N(CC(F)F)C2CC2)C1 77742824 ALIFMSFQJJUAHG-JTQLQIEISA-N 318.364 2.500 0 40 DEAB CCN(CC(=O)O)CC1CCN(C(=O)OC(C)(C)C)CC1 79392384 CZISWTUOKIDEJH-UHFFFAOYSA-N 300.399 2.040 0 40 DEAB O=C(O)c1cnc(COc2ccc(Cl)cc2Cl)[nH]c1=O 217383029 OIOKSOCIYXHPRZ-UHFFFAOYSA-N 315.112 2.354 0 40 DEAB O=C(c1ccccc1)[C@H]1CN(C(=O)OCc2ccccc2)CCN1 72233735 BGCZUZQXOXEPFX-QGZVFWFLSA-N 324.380 2.480 0 40 DEAB CC(=O)N1CCC(c2nc(N(C)C)ncc2NC(C)C)CC1 72366248 DMCXQTUIOJHVGK-UHFFFAOYSA-N 305.426 2.089 0 40 DEAB O=C(N[C@@H]1CCC[C@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O 80028521 KAGSZRWBGGFKSD-GXFFZTMASA-N 320.364 2.099 0 40 DEAB CN(C)C[C@H]1CCN(C(=O)NCc2ccnc3ccccc23)C1 130250509 YLOBIKUHNXKPIA-CQSZACIVSA-N 312.417 2.328 0 40 DEAB CCOC(=O)[C@@H](NCc1cnn(C)c1)c1ccc(Cl)cc1 192942939 WHCNIXZQSRNENT-AWEZNQCLSA-N 307.781 2.468 0 40 DEAB CC(C)C[C@@]1(CO)CCCN1C(=O)NCCc1cscn1 191181075 BOMCMTXTWRZIOJ-OAHLLOKOSA-N 311.451 2.268 0 40 DEAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccccc4)CC[C@@H]23)[nH]1 96206705 NKRNSUWCKFISII-ZACQAIPSSA-N 312.417 2.193 0 40 DEAB c1ccc(O[C@@H]2CO[C@]3(CCN(Cc4csnn4)C3)C2)cc1 96072443 DLIRWSRVRFVMJO-JKSUJKDBSA-N 317.414 2.351 0 40 DEAB CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1cc(C(N)=O)cs1 96411293 FNFXZKZRXARYQB-MFKMUULPSA-N 324.446 2.418 0 40 DEAB O=C(CCC(=O)c1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 96449092 SAYHMVCMDVAEQI-PKOBYXMFSA-N 309.365 2.424 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CCC[C@@H]1c1ccc(O)nn1 530075527 LDPFRVFNKGFQQL-CQSZACIVSA-N 319.311 2.367 0 40 DEAB Cn1nccc1S(=O)(=O)Nc1cccc2c1OC(C)(C)CC2 530148051 WWTIVCXNRJGINT-UHFFFAOYSA-N 321.402 2.325 0 40 DEAB CC(C)C(=O)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96221749 ZLYHLNHPHSFGGI-HNNXBMFYSA-N 304.390 2.267 0 40 DEAB Cc1ccc(OC(F)F)c(CNC(=O)NCc2nccn2C)c1 96461977 JGIOEKILSBLQIN-UHFFFAOYSA-N 324.331 2.329 0 40 DEAB COc1cc2c(cc1OC)CC(=O)N(CC(=O)OC(C)C)C=C2 95476926 OAKXEEAILKFDNO-UHFFFAOYSA-N 319.357 2.011 0 40 DEAB Cc1n[nH]cc1CN1CCC(c2cc(C)n3nccc3n2)CC1 257309123 TZQKQKQTLFEGLQ-UHFFFAOYSA-N 310.405 2.449 0 40 DEAB COCCCCNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C 71897604 VAJQRVVKKRETTM-MRXNPFEDSA-N 319.449 2.329 0 40 DEAB CC(C)(O)CSCCNC(=O)N1CC[C@H]2CCCC[C@H]21 74761353 GJIPZFNPCDNVQH-CHWSQXEVSA-N 300.468 2.465 0 40 DEAB O=C(CCc1cccs1)N1CCN(C2CCOCC2)CC1 81032735 HPQFQBNKEFEECB-UHFFFAOYSA-N 308.447 2.004 0 40 DEAB Cc1ccc2c(Cl)c(C(=O)NN3CC(=O)NC3=O)sc2c1 95351055 QJLGJYNGPXAKLI-UHFFFAOYSA-N 323.761 2.060 0 40 DEAB COc1ccccc1NC(=O)c1nn(C)cc1Br 197314 LCVCYCMPOLBEGN-UHFFFAOYSA-N 310.151 2.444 0 40 DEAB O=C(C1CC(F)C1)N1CCC2(CC(Nc3ncccn3)C2)C1 1565549474 RZFQREQLRUGIMM-UHFFFAOYSA-N 304.369 2.018 0 40 DEAB CCC(=O)NC[C@H](c1cccnc1)S(=O)(=O)c1cccs1 8021790 WFXNKDGMBHQFGF-GFCCVEGCSA-N 324.427 2.184 0 40 DEAB COc1ccc(C(=O)N2CC[C@H](C(N)=O)C2)cc1-c1ccccc1 50583857 XBDOEMNTHGNSQY-HNNXBMFYSA-N 324.380 2.310 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccc(Oc2ccccc2)o1)C(N)=O 96451269 ORYLMCZJSHAEPW-CQSZACIVSA-N 302.330 2.312 0 40 DEAB Cn1cc(C(=O)O)c(C(=O)Nc2ccc(Br)cc2)n1 36615485 ADSDQHFDPOSVQD-UHFFFAOYSA-N 324.134 2.133 0 40 DEAB COc1ccc(C(=O)N[C@H]2CCCNC2=O)cc1-c1ccccc1 50634021 VRHTUNPNIFVLEJ-INIZCTEOSA-N 324.380 2.371 0 40 DEAB CC(=O)c1ccccc1OCCSc1nc(N)cc(N)n1 11390935 PVJSSPNGKJPSAG-UHFFFAOYSA-N 304.375 2.015 0 40 DEAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 28946999 NVJNIHFOLYWOMW-UONOGXRCSA-N 319.792 2.458 0 40 DEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)CC(=O)N2 4944166 CAWPJLCIIDONQS-SNVBAGLBSA-N 301.371 2.356 0 40 DEAB CCOC(=O)c1ccoc1CSc1ncnc2c1cnn2C 11681366 KJXKOJHSRAHXPP-UHFFFAOYSA-N 318.358 2.425 0 40 DEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(F)cc2)o1 11851765 MTZUOXYWHFYHRI-LBPRGKRZSA-N 323.345 2.003 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(Cl)nc2)cc1 32797896 LBMNOIGWVNZLCF-UHFFFAOYSA-N 312.734 2.234 0 40 DEAB Cc1ccsc1C(=O)Nn1c(S)nc2ccccc2c1=O 102228909 DEPYBOLHJNYIIQ-UHFFFAOYSA-N 317.395 2.439 0 40 DEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CCCCCC1 102803765 MUKXXKFGRPOEAN-GJZGRUSLSA-N 320.433 2.391 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)C1=NO[C@H](c2ccccc2)C1 52982759 HSQYCJAYAZFMLX-ZBFHGGJFSA-N 301.390 2.105 0 40 DEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100450187 LPSKIECRISIDMN-LALPHHSUSA-N 322.430 2.285 0 40 DEAB Cc1ccoc1C(=O)N1CCN(C(=O)c2cccs2)CC1 25271389 ALQZTMBKZXHNJI-UHFFFAOYSA-N 304.371 2.248 0 40 DEAB C[C@@H](c1ccccn1)N(C(=O)[C@H]1CCN(C)C(=O)C1)C1CC1 57512388 RXZFHSVMHOQEDL-STQMWFEESA-N 301.390 2.002 0 40 DEAB C[C@H](NC(=O)Nc1nnc(-c2ccccn2)s1)[C@@H]1CCCO1 47790944 IRZWJHJOJHGPII-ONGXEEELSA-N 319.390 2.289 0 40 DEAB O=C(Cn1cc(-c2nnco2)ccc1=O)c1c[nH]c2ccccc12 58179683 HUWJOLKJCBUBNN-UHFFFAOYSA-N 320.308 2.263 0 40 DEAB COc1ccc2ccccc2c1CNC[C@@H]1CCS(=O)(=O)C1 44862846 ZQWYKEQJSLXZGD-ZDUSSCGKSA-N 319.426 2.373 0 40 DEAB NC(=O)[C@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1 10268529 PZLFLWXAGOPMJE-MRXNPFEDSA-N 320.352 2.033 0 40 DEAB O=C(CN1CCc2ccccc21)NCc1ccc2c(c1)OCO2 3251607 VRPPJNKZUOOPKT-UHFFFAOYSA-N 310.353 2.094 0 40 DEAB CC(=O)c1cccc(OCCCC(=O)NCCn2ccnc2)c1 58294299 DOZIIBXBPHUKPX-UHFFFAOYSA-N 315.373 2.061 0 40 DEAB O=C(NCCNc1cnccn1)c1cc2c(s1)CCCC2 44913672 ZVIFRLDHCUHXJQ-UHFFFAOYSA-N 302.403 2.259 0 40 DEAB C[C@H](NC(=O)CCc1nnc(-c2ccsc2)o1)[C@H]1CCCO1 27896492 ZQGDUTLHGQGBKC-CMPLNLGQSA-N 321.402 2.414 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1ccc(C(F)(F)F)cc1 12890450 BQJXYRIYPFLKGP-UHFFFAOYSA-N 310.279 2.173 0 40 DEAB CC1(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)CCCC1 69420808 XCMGNDPUVSHKPG-UHFFFAOYSA-N 312.373 2.490 0 40 DEAB NCC[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 70148984 KAGDSCMIDMVOLG-LLVKDONJSA-N 301.312 2.444 0 40 DEAB CN(CCn1cccn1)S(=O)(=O)c1ccc2ccccc2c1 69587972 QQDBONKLKARPSG-UHFFFAOYSA-N 315.398 2.357 0 40 DEAB C[C@@H](NC(=O)c1ccccc1)C(=O)NCC1(O)CCCCCC1 75141824 VRQOMMSPZAWJNG-CQSZACIVSA-N 318.417 2.006 0 40 DEAB CCN1C(=O)CN(CN(C2CC2)[C@@H]2CCc3ccccc32)C1=O 69702593 PTHWMAINIFDGJW-MRXNPFEDSA-N 313.401 2.380 0 40 DEAB CN(C)C(=O)[C@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1 65577793 BINMHVVAQGEUAT-OAHLLOKOSA-N 313.357 2.111 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccn2C)cc1 4564193 VKATYNNEVAVJEP-GFCCVEGCSA-N 314.341 2.412 0 40 DEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCO[C@H](C)C3)c12 14900153 ZITXXFDDGLTETQ-SNVBAGLBSA-N 314.389 2.015 0 40 DEAB COc1ccc(CCNC(=O)c2ccc(-n3cncn3)cc2)cc1 6881089 AWJMFVIMXPOJNQ-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB CCC(C)(CC)NC(=O)CCc1c(C)nc2ncnn2c1C 69967551 SUHBYIVXYFKAEZ-UHFFFAOYSA-N 303.410 2.369 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2CN2CCCC2)cs1 66943886 GLEGATIRLLXZQN-AWEZNQCLSA-N 307.463 2.335 0 40 DEAB Cc1cccc(N2C[C@@H](C(=O)Nc3nncs3)CC2=O)c1C 4943362 MWACTCDWVLVFKQ-NSHDSACASA-N 316.386 2.147 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2ccc(C)[nH]c2=O)N(C)C)cc1 75124621 LBOCDKMHPQAMHP-MRXNPFEDSA-N 313.401 2.024 0 40 DEAB CCOCCc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 5905363 ADIZMFZSIBGBSD-UHFFFAOYSA-N 321.358 2.098 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N(C)Cc1ccccc1 7389679 CFSAIQLPEDYZRL-UHFFFAOYSA-N 321.380 2.364 0 40 DEAB Cc1ccc(Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1 32096359 NKMOFNUDSHWYFG-UHFFFAOYSA-N 320.352 2.390 0 40 DEAB C[C@@H](NC(=O)c1c(O)c2c([nH]c1=O)CCCC2)c1ccccc1 8817751 NDTMLIICLTYYID-LLVKDONJSA-N 312.369 2.450 0 40 DEAB biogenic C[C@@H]1CCc2c(sc3ncnc(Sc4nnnn4C)c23)C1 7785174 OZQLVEJWPYPALE-SSDOTTSWSA-N 318.431 2.491 0 40 DEAB CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCC1 22587052 GUFSPRZYMMTPOY-RVKKMQEKSA-N 307.482 2.003 0 40 DEAB CC(C)(C)CNC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 68673243 MWBPFYASZDKPIV-SECBINFHSA-N 310.316 2.312 0 40 DEAB CNC(=O)NC(=O)[C@H](C)Sc1cc(C)c2ccccc2n1 9470580 NCFCGVXYHAWTGG-JTQLQIEISA-N 303.387 2.479 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2nnc(C3CC3)n2C)n1 71876115 JWWZIMJRBQFTFT-HNNXBMFYSA-N 314.437 2.170 0 40 DEAB CN(C)CCSCc1nc(-c2ccc3c(c2)OCO3)no1 83851140 NCWPZJSOUBXCLA-UHFFFAOYSA-N 307.375 2.260 0 40 DEAB C[C@H](NC(=O)CCC(=O)c1cc(Cl)sc1Cl)C(N)=O 87025822 CCUXCUWNVWFPRA-YFKPBYRVSA-N 323.201 2.008 0 40 DEAB Cc1cc(Br)c2oc(C(=O)Nc3nnn[nH]3)cc2c1 97083186 PCLDSTOCOADLTK-UHFFFAOYSA-N 322.122 2.269 0 40 DEAB Cc1ccc(C[C@@H](CNC(=O)c2ccc(C)nc2)C(=O)O)cc1 97018841 JPYPCOCSVRQPGP-INIZCTEOSA-N 312.369 2.372 0 40 DEAB CC(C)(C)c1nc(N2CCC[C@@H]2C(=O)NCc2ccco2)no1 97104432 XJWKRTQUSFUXBB-GFCCVEGCSA-N 318.377 2.245 0 40 DEAB O=C(NC1CCCCC1)[C@H]1CCCN(C[C@H](O)C(F)(F)F)C1 97141816 XGCWMIYEYJSFIF-AAEUAGOBSA-N 322.371 2.071 0 40 DEAB Cn1cc(-c2cccc(CN3CCCC4(C3)OCCO4)c2)cn1 97139055 FAAUZZOUCJDBHL-UHFFFAOYSA-N 313.401 2.426 0 40 DEAB CCc1ccc2nc(NC(=O)NC(CC)(CO)CO)sc2c1 72314049 CMJJUOWVKOMBLZ-UHFFFAOYSA-N 323.418 2.114 0 40 DEAB Cc1nccn1CCCN1C(=O)N[C@@](C)(c2ccccc2)C1=O 95350381 AAESFSZKVDPHOI-KRWDZBQOSA-N 312.373 2.049 0 40 DEAB CCN1C[C@@H](C(=O)N[C@@H](CSC)c2ccccc2)CC1=O 95398808 UMJFEQJIKLYEMA-KBPBESRZSA-N 306.431 2.075 0 40 DEAB Cc1ccc(NC(=O)C(=O)Nc2cnn(CC(F)F)c2)cc1C 95434636 REDRZCQQBKQDHS-UHFFFAOYSA-N 322.315 2.342 0 40 DEAB CS[C@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1N(C)C 95444665 FUSQRXDOIVTXDV-CVEARBPZSA-N 317.458 2.145 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)CCOc2ccccc2)C1 73020868 KEDILHHUYFYFPD-HOCLYGCPSA-N 318.417 2.219 0 40 DEAB C[C@@H]1CC/C(=C\C(=O)NCCc2nnc3n2CCCCC3)C1 79056690 HJAPQNSUKPXSDS-MNWMYKRDSA-N 302.422 2.410 0 40 DEAB CN(c1nc(Cn2nc(-c3ccco3)oc2=O)cs1)C1CC1 89365656 LAEMWUUHYJZYTP-UHFFFAOYSA-N 318.358 2.200 0 40 DEAB COC(=O)c1cc(OC(=O)c2cc(Cl)ccc2OC)nn1C 408563335 VJPOSMREVYYMFH-UHFFFAOYSA-N 324.720 2.088 0 40 DEAB Cc1cccc(C(=O)N2Cc3cn(C)nc3-c3ccn(C)c3C2)n1 306126143 DOCQIBNABYXZHT-UHFFFAOYSA-N 321.384 2.285 0 40 DEAB C[C@H](CN1CCN(C)CC1)OC(=O)Cc1ccc(Cl)cc1 22875180 QKAUEQWQCGNHQT-CYBMUJFWSA-N 310.825 2.062 0 40 DEAB CCOc1ccc([C@@H]2CC(=O)N=C3N=CNN32)c2ccccc12 409379498 YIKOZHIMQBHPFI-AWEZNQCLSA-N 308.341 2.414 0 40 DEAB COc1cccc([C@@H](O)CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 78929745 YLWXWHQBSCGMLX-AAEUAGOBSA-N 318.200 2.429 0 40 DEAB C[C@H](Oc1ccc(C#N)cc1)C(=O)NC1(C(=O)O)CCCCC1 32735798 XVBKEEJPJLLKLY-LBPRGKRZSA-N 316.357 2.229 0 40 DEAB COc1ccccc1C(=O)N1[C@H](C(=O)O)COC12CCCCC2 35517637 KASGLXTVUDMJDQ-ZDUSSCGKSA-N 319.357 2.281 0 40 DEAB CCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC(C)C 217411371 LUCLPAYEJMGDCW-UHFFFAOYSA-N 314.407 2.141 0 40 DEAB CCOc1cc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)ncn1 79439011 SFTZZCKMERAOJT-GFCCVEGCSA-N 322.409 2.369 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)/C=C/c1ccncc1 79050634 CYVJEIDAGSIOOO-HYLRALAJSA-N 301.390 2.001 0 40 DEAB C[C@H](N)C(=O)N(CC1CCN(Cc2ccccc2)CC1)C1CC1 79404590 QCSCPHLSQCRQRO-HNNXBMFYSA-N 315.461 2.237 0 40 DEAB CN(c1ncns1)C1CCN(CCc2ccccn2)CC1 195575144 AITGDIMQCYICQI-UHFFFAOYSA-N 303.435 2.076 0 40 DEAB CSCc1cc(F)ccc1CNC(=O)NCC(C)(C)O 88631676 DVEGWZLHDUXLJD-UHFFFAOYSA-N 300.399 2.259 0 40 DEAB CN1CC[C@H](Nc2ccc(F)cc2OCC(F)(F)F)C1=O 81158443 NWYHSEXHXTZGFK-JTQLQIEISA-N 306.259 2.409 0 40 DEAB CC(C)CNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972442 DMQIIWYHGHSDDI-UHFFFAOYSA-N 318.826 2.122 0 40 DEAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCOC1 96420022 NSABQBPLNWVYQV-KWQFWETISA-N 304.173 2.180 0 40 DEAB CO[C@@H]1C[C@@H]2C[C@@H](NCc3ccc(S(C)(=O)=O)cc3)C[C@@H]2C1 577720565 GBXRVLPKHLOVGN-PLAPLOCASA-N 323.458 2.383 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)c2cccc(N(C)C)c2)o1 96440250 AFULKRIJHPJWMJ-KRWDZBQOSA-N 302.374 2.292 0 40 DEAB COCCN1C(=O)CC[C@]12CCCN(Cc1cccnc1)CC2 96047529 KPRGCBJLSDCQAQ-SFHVURJKSA-N 317.433 2.075 0 40 DEAB CCOCCCN1CC[C@H](NC(=O)Nc2cccnc2)[C@H](C)C1 96406789 XUEGWRGFOKLEME-ZBFHGGJFSA-N 320.437 2.340 0 40 DEAB CC(C)(C)SCCCC(=O)N1CCN(c2cnccn2)CC1 96484001 PDBMWTRQTMNSOD-UHFFFAOYSA-N 322.478 2.437 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)Nc2cc(F)cc(F)c2)n1 96120980 ZSXJRZUFJXTJAT-UHFFFAOYSA-N 321.331 2.451 0 40 DEAB CC(=O)N1CCC2(CC1)C[C@@H](N(C)c1ccc(F)cc1)CO2 257296156 RBMBWKDPDCCNTM-MRXNPFEDSA-N 306.381 2.432 0 40 DEAB NC(=O)[C@@H](NCc1cnn(Cc2ccccc2)c1)c1ccccc1 51187658 PYDAUDUBHZEMLG-SFHVURJKSA-N 320.396 2.248 0 40 DEAB CC(=O)N1CC[C@H](Cc2nccnc2-c2ccnn2C(C)C)C1 257324868 WQNKBTBKGZECMR-CQSZACIVSA-N 313.405 2.332 0 40 DEAB C/C=C(\C)C(=O)NCc1ccccc1CN1CCC[C@@H]1CO 274560960 WHKJAXQTZCHUJU-UEHGYGDOSA-N 302.418 2.226 0 40 DEAB Cc1nc(CN2C[C@H]3CN(C(=O)C4(F)CCC4)C[C@H]3C2)cs1 585107599 OJUQTEYCNGRXHL-BETUJISGSA-N 323.437 2.234 0 40 DEAB CCc1cccc(NC(=O)Nc2ccc(=O)n(CCO)c2)c1 585140965 NHUPXDLDNFQCBN-UHFFFAOYSA-N 301.346 2.047 0 40 DEAB Cc1csc(CCCC(=O)N2CCC[C@H]2Cn2ccnn2)n1 671630588 PXXQGYJMZXLFAO-ZDUSSCGKSA-N 319.434 2.057 0 40 DEAB Cc1c([C@@H](C)NC(=O)c2cc3ccccc3oc2=O)cnn1C 47491471 HCGLZIPREVKOMD-SNVBAGLBSA-N 311.341 2.326 0 40 DEAB CCS(=O)(=O)CC(=O)Nc1nc2c(C)ccc(C)c2s1 48888690 QHMUNGYGIYIWNY-UHFFFAOYSA-N 312.416 2.286 0 40 DEAB CN(Cc1ccco1)C(=O)NCCc1ccc2c(c1)OCCO2 53519556 NMWVQEZMVQGGQK-UHFFFAOYSA-N 316.357 2.435 0 40 DEAB Cc1c(C(=O)N(C2CCC2)C2CCC2)cccc1S(N)(=O)=O 569035450 YGOUWOKBHLRNHT-UHFFFAOYSA-N 322.430 2.190 0 40 DEAB CCOC(=O)CN(CCCn1ccnc1)Cc1ccccc1 95435539 CDXYFOLKALIXGR-UHFFFAOYSA-N 301.390 2.339 0 40 DEAB Brc1ccc(-c2ccc(N3CCNCC3)nn2)cc1 11567986 DJUPBYISTRVXHZ-UHFFFAOYSA-N 319.206 2.316 0 40 DEAB Cc1nc(-n2nc(C3CC3)cc2NC(=O)C(C)C)[nH]c(=O)c1C 12126742 YJKMZXIILXVITH-UHFFFAOYSA-N 315.377 2.044 0 40 DEAB Cc1ccccc1C1=NO[C@H](C[C@]2(C(=O)O)CCCNC2)C1 12157340 VSIJIVUQOAHODA-SUMWQHHRSA-N 302.374 2.333 0 40 DEAB Cc1cc(=O)[nH]c([C@H]2CCCN2C(=O)Cc2ccccc2C)n1 19237060 LNUKXCOUHCFVAI-OAHLLOKOSA-N 311.385 2.293 0 40 DEAB COc1ncccc1CNC(=O)c1ccc(-c2nc(C)no2)cc1 31322149 MZLIOGQQHPTYML-UHFFFAOYSA-N 324.340 2.379 0 40 DEAB O=C(c1ccc2nccnc2c1)N1CC[C@H](Oc2ccccn2)C1 238924587 UNLWKSYOCNQUGJ-AWEZNQCLSA-N 320.352 2.318 0 40 DEAB Cc1nc(C2CCN(C(=O)C(C)(C)N)CC2)cn2cccc12 2037838462 HZKQNDIFVUMEOU-UHFFFAOYSA-N 300.406 2.086 0 40 DEAB NC(=O)c1c(NC(=O)CN2CCCCCC2)sc2c1CCC2 90011 KPNGPEWCPNHAGO-UHFFFAOYSA-N 321.446 2.150 0 40 DEAB CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13696190 OGZLEFKUFXWMPA-UHFFFAOYSA-N 322.411 2.323 0 40 DEAB COc1ncc(NS(=O)(=O)c2cccc(Cl)c2C)cn1 585434173 UMBAZIVYYOLGCQ-UHFFFAOYSA-N 313.766 2.248 0 40 DEAB COc1ccc2c(c1)OC[C@@H](C(=O)NCc1cscn1)C2 50403669 FKHBRRKLWBSSGF-NSHDSACASA-N 304.371 2.019 0 40 DEAB COC[C@H](C)NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 212683 CCNJQZZPLQHAHL-QMMMGPOBSA-N 320.267 2.008 0 40 DEAB Cc1noc(C)c1COc1ccc(C(=O)NCCC(=O)O)cc1 89529474 IULXAILIEGTGLC-UHFFFAOYSA-N 318.329 2.075 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 40539247 JTXZUNADLNVRRZ-LLVKDONJSA-N 312.316 2.316 0 40 DEAB Cc1nn(CN2CCO[C@H]3CCCC[C@@H]32)c(=O)c2ccccc12 40555909 GHUYEEMWEKXEHY-IRXDYDNUSA-N 313.401 2.306 0 40 DEAB CN(Cc1ccc(F)cc1F)S(=O)(=O)CC1CCOCC1 96427667 CIQLVUPCZYEFIX-UHFFFAOYSA-N 319.373 2.153 0 40 DEAB NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2ccccc21 60291858 WVQFPYJIULZMQP-GOEBONIOSA-N 300.402 2.363 0 40 DEAB Cc1cc([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)on1 52009230 JMLOHYVBNKVEIA-GFCCVEGCSA-N 303.366 2.099 0 40 DEAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ncccn1 21211663 CHBQOOSXHOQUNJ-UHFFFAOYSA-N 318.720 2.067 0 40 DEAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCc2ccccc21 21278884 NOQIIJHVJHKJKP-NSHDSACASA-N 300.383 2.456 0 40 DEAB O=S(=O)(NC[C@@H]1CCCO1)c1cccc(C(F)(F)F)c1 2659552 SDXFOQMATMIMKO-JTQLQIEISA-N 309.309 2.163 0 40 DEAB CC(C)[C@H]1NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O 32770027 OPQLFZSHVWKTHB-LLVKDONJSA-N 310.737 2.145 0 40 DEAB C=Cn1cc(CN2CCN(C3CCCCC3)C(=O)C2)c(C)n1 57811407 QSOICFDKZGMWIB-UHFFFAOYSA-N 302.422 2.269 0 40 DEAB COC(=O)C(=O)[C@]1(c2ccccc2)CCCC(CN(C)C)=C1O 104072526 DIETVJGVIAPOKO-SFHVURJKSA-N 317.385 2.224 0 40 DEAB CNC(=O)c1cccc(N[C@H](C(=O)N(C)C)c2ccccc2)c1 9338479 ZJPCGXDNDQLDLZ-INIZCTEOSA-N 311.385 2.288 0 40 DEAB CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C 422004 WOAIJPRXRFZKKZ-UHFFFAOYSA-N 307.375 2.146 0 40 DEAB c1ccc(-c2nnc(CN3CCn4c(nnc4C4CC4)C3)o2)cc1 75133546 JDHGTJYMDVDBST-UHFFFAOYSA-N 322.372 2.221 0 40 DEAB Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)c(=O)[nH]1 75122400 JBTPECCLQLANPD-UHFFFAOYSA-N 311.385 2.082 0 40 DEAB O=C(Nc1ccc(O)cc1)c1ccc(Cl)cc1-n1cnnn1 12321452 BOYIINIJBHMSAS-UHFFFAOYSA-N 315.720 2.274 0 40 DEAB NC(=O)c1cc(NCC(=O)Nc2cc(F)ccc2F)ccc1F 47272725 YZGJMHCXWHFJTN-UHFFFAOYSA-N 323.274 2.253 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cn1 47224138 AIDCEOWWEMQYQB-UHFFFAOYSA-N 316.382 2.226 0 40 DEAB CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(C(C)=O)cc1 47320129 LHVWVALWYUHVFH-LLVKDONJSA-N 305.378 2.316 0 40 DEAB CC(C)NC(=O)CN1CCN(Cc2ccc(Cl)s2)CC1 23260547 MMRRASHGKHCMTN-UHFFFAOYSA-N 315.870 2.044 0 40 DEAB Cn1cc(C(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cn1 23639859 HTTVWWYQOITPTR-UHFFFAOYSA-N 318.808 2.032 0 40 DEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)Nc1ccccn1)(C3)C2 12516493 FJLUTEGBZKSYLR-MWABVPJASA-N 313.401 2.495 0 40 DEAB CCCc1nnc(NC(=O)CCC(=O)NC2CCCC2)s1 1238948 UBXZRZQSSLLBSV-UHFFFAOYSA-N 310.423 2.268 0 40 DEAB c1cnc(N2CCC3(CCN(C[C@@H]4CCOC4)CC3)CC2)nc1 101138452 UZZDFIKUAAUOIT-INIZCTEOSA-N 316.449 2.196 0 40 DEAB COc1ccc([C@@H](O)CNC(=O)c2cccc(F)c2F)cc1 69439804 YXNBJPIAGAGKCX-AWEZNQCLSA-N 307.296 2.437 0 40 DEAB COC(=O)Cc1ccc(OS(=O)(=O)c2ccccc2F)cc1 21821408 FMJRNMNTGJIPFL-UHFFFAOYSA-N 324.329 2.309 0 40 DEAB COc1ccc(CCNS(=O)(=O)Cc2ccc(F)cc2)cc1 25058124 XFBCHTKYCADTGN-UHFFFAOYSA-N 323.389 2.496 0 40 DEAB Cn1c(S)nnc1-c1ccccc1I 107339323 LEEIJASDTBVWAS-UHFFFAOYSA-N 317.155 2.375 0 40 DEAB COc1ccc(/C=C/C(=O)OCC(=O)NC(C)(C)C)cc1OC 3290990 BCHOPSPCDKTWIK-VQHVLOKHSA-N 321.373 2.175 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@@H]2c3ccccc3O[C@@H]3CCCC[C@@]123 43737332 SEVNYVDCZGGKSS-BASYENTBSA-N 315.369 2.358 0 40 DEAB C[C@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)C(=O)N(C)C 56875761 OEIBSRQTVRNZPT-HOCLYGCPSA-N 317.433 2.270 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N[C@H]1CCN2CCCC[C@H]12 69434171 CGZPDVQMKHAYJQ-JKSUJKDBSA-N 312.417 2.088 0 40 DEAB Cc1sc(-n2cccc2)c(C(=O)NCCCC(N)=O)c1C 57212925 RJJWHYOEGBIDQA-UHFFFAOYSA-N 305.403 2.151 0 40 DEAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108072454 KELCZGJSVZOQQY-FQUUOJAGSA-N 310.463 2.096 0 40 DEAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC(C(N)=O)CC1 20035229 YPLCHKWPDFHWSM-MRXNPFEDSA-N 318.417 2.185 0 40 DEAB O=C(NCCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)O 12661746 IOPNVZDAZXKDEU-MRXNPFEDSA-N 312.369 2.224 0 40 DEAB biogenic COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 8234520 JWFVJMBBBSKNKE-GFCCVEGCSA-N 302.374 2.425 0 40 DEAB C=C=CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 2051206 XRNCTMRLXZQGQP-OAHLLOKOSA-N 323.414 2.326 0 40 DEAB CC(=O)c1ccccc1OCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 10025433 GRYSBHIVZIYXJU-HUUCEWRRSA-N 313.353 2.219 0 40 DEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)c1cc(C)no1 58292539 VXONAOPNWGEAFS-UHFFFAOYSA-N 322.748 2.452 0 40 DEAB O=C(NCCCn1ccnc1)N[C@@H]1CCOc2ccccc21 44946416 DFMSFBIFLXGSDY-CQSZACIVSA-N 300.362 2.096 0 40 DEAB CC(C)(C)n1c(NC(=O)CCn2cncn2)nc2ccccc21 58401544 LMNLBSDJCNYFHK-UHFFFAOYSA-N 312.377 2.412 0 40 DEAB O=c1[nH]c(CCc2ccc3c(c2)OCCO3)nc2ccccc12 12775174 PWUAXCZHIASPNG-UHFFFAOYSA-N 308.337 2.480 0 40 DEAB O=c1cc(COc2ncnc3ccccc23)nc2sccn12 3404011 YTXIFHZCLNEEHO-UHFFFAOYSA-N 310.338 2.278 0 40 DEAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 70173155 XSJGOVNXORKRRQ-NXEZZACHSA-N 312.211 2.044 0 40 DEAB COc1c(C)cnc(CNC(=O)[C@H]2Cc3ccccc3O2)c1C 69560348 OTMKABICFNQYRM-MRXNPFEDSA-N 312.369 2.327 0 40 DEAB C[C@@H](NC(=O)CSc1nncn1C)c1ccc(F)cc1F 6063325 MCBSGQVXYBLQSU-MRVPVSSYSA-N 312.345 2.063 0 40 DEAB CC(C)OCCOC[C@@H](O)CN(C)Cc1nc2ccccc2o1 69621971 BUOFOLGBMZICBA-AWEZNQCLSA-N 322.405 2.062 0 40 DEAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1csnn1 89768027 JRSYTOKLEGNIMW-SECBINFHSA-N 318.185 2.308 0 40 DEAB Cc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1 14196240 DGWJMCNSDJHWPO-UHFFFAOYSA-N 310.401 2.151 0 40 DEAB NC(=O)N1CC[C@H](NC(=O)CCc2ccc3ccccc3c2)C1 69840409 XEQALWQMJLDAHD-INIZCTEOSA-N 311.385 2.042 0 40 DEAB COc1cc(F)ccc1S(=O)(=O)NCc1cccs1 4937388 XGTQBYDAHLOSKV-UHFFFAOYSA-N 301.364 2.374 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2Cc2noc(C3CC3)n2)n1 69949807 XTRVATYOLWBLPW-CQSZACIVSA-N 301.394 2.425 0 40 DEAB CC[C@@H](C)NC(=O)COC(=O)CCc1ccc(OC)c(OC)c1 7204024 PPPHICRYLIUJKQ-GFCCVEGCSA-N 323.389 2.094 0 40 DEAB CNC(=O)[C@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 67978833 VTBCDMHGGSNULI-GFCCVEGCSA-N 320.780 2.100 0 40 DEAB CCN(C)Cc1cccc(CNC(=O)NC[C@H]2CCCO2)c1 68564541 XFNLQLCTNMTZEY-MRXNPFEDSA-N 305.422 2.117 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCc2ccccc21 7920622 GFWKHQCKWFCIKZ-IUODEOHRSA-N 307.415 2.005 0 40 DEAB Cc1nc(C(=O)N(C)CCc2cccs2)ccc1C(=O)O 93293686 HENCWYPVLPWCKY-UHFFFAOYSA-N 304.371 2.464 0 40 DEAB Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2cccnc2)no1 96000591 INGOKHHIGXRBSN-CYBMUJFWSA-N 322.390 2.079 0 40 DEAB O=c1nc(CCCNCc2ccc(-c3ccccc3)cc2)[nH][nH]1 96003711 SOCRXVJZCLEBLH-UHFFFAOYSA-N 308.385 2.487 0 40 DEAB CCOc1ccc([C@@](O)(C(=O)OC)C(F)(F)F)c(OCC)c1 71405318 ZPMNNPLXJHBSDH-CYBMUJFWSA-N 322.279 2.407 0 40 DEAB CCOC(=O)NC(=O)CNc1cc2c(cc1OCC)C[C@@H](C)O2 9339068 BTCFMRUBMGECAX-SNVBAGLBSA-N 322.361 2.093 0 40 DEAB COc1ccc(-c2n[nH]cc2CN[C@@H]2CCCN(C)C2)cc1 71825273 ZWYDCCAAPFNBQQ-OAHLLOKOSA-N 300.406 2.269 0 40 DEAB C[C@@H]1CC[C@@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 75545101 DIOYGAUKHXRWDR-NXEZZACHSA-N 301.346 2.223 0 40 DEAB C[C@@H](O)[C@@H]1CCN(C(=O)NCCCc2cc(F)cc(F)c2)C1 96502555 ZCQNDHYWSJIMOS-DGCLKSJQSA-N 312.360 2.310 0 40 DEAB Cc1cccc(CCNC(=O)CS(=O)(=O)C2CCCC2)c1 72056022 COEUYHMQNIBZQA-UHFFFAOYSA-N 309.431 2.011 0 40 DEAB CCCn1c(SCC(=O)c2cc(C)n(CC)c2C)n[nH]c1=O 9764455 IIECMGPARKFWCT-UHFFFAOYSA-N 322.434 2.395 0 40 DEAB COc1ccc(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)cc1 72235154 ORAWMBHBNQJKCF-OAHLLOKOSA-N 314.389 2.381 0 40 DEAB CC[C@@H](NC(=O)Nc1cncnc1N(C)C)c1c(C)noc1C 97083095 IZSVIYYEBZBJGV-LLVKDONJSA-N 318.381 2.420 0 40 DEAB CCc1noc(C)c1CN[C@H](C)c1cccc(S(N)(=O)=O)c1 97084054 XGGWDZFDKCIVDL-SNVBAGLBSA-N 323.418 2.044 0 40 DEAB COC(=O)N1CC[C@@H](NCc2ccn(Cc3ccccc3)c2)C1 97022824 PMJLDGUKDAHCQC-QGZVFWFLSA-N 313.401 2.467 0 40 DEAB COC[C@@H](NCc1cc(=O)n2cccc(C)c2n1)c1ccco1 97110638 FGLBTHKGMWLLMP-CQSZACIVSA-N 313.357 2.073 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(Cl)c2c(c1)OCO2 97197803 HWIGXWAGAFXFSZ-SNVBAGLBSA-N 319.748 2.010 0 40 DEAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccccc1F 72300472 HBMQRVHMGFOVNA-XUJVJEKNSA-N 314.426 2.146 0 40 DEAB COc1ccc2c(c1)OC[C@H](C(=O)Nc1cc(O)cc(O)c1)C2 95448263 WUHKSPAPZAZVCP-LLVKDONJSA-N 315.325 2.296 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc3nccnc13)CC(=O)O2 95472868 WHRASDPUYLGTTN-NSHDSACASA-N 307.309 2.068 0 40 DEAB C[C@H](NC(=O)Nc1cccn(C)c1=O)[C@H]1COc2ccccc21 95437925 AJGGRGDYYYHCSL-WCQYABFASA-N 313.357 2.072 0 40 DEAB Cc1cc(CNC(=O)c2cnn(Cc3ccccc3)c2C)no1 95954974 CBVHUXQXKUOJBA-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)NCCCC(=O)O)cc2)n1 95956885 MQFGEWLQJGQJKG-UHFFFAOYSA-N 301.346 2.084 0 40 DEAB Cc1cc(N2CCN(c3nncc4ccccc34)CC2)ncn1 95978615 VAXTVKSDOHRIQL-UHFFFAOYSA-N 306.373 2.055 0 40 DEAB CCc1nnc(CN2CCC(NC(=O)c3ccccc3)CC2)o1 32865282 HYUIWWUJGHPSDA-UHFFFAOYSA-N 314.389 2.026 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 36615479 YZGGTDRZIQRXQK-SNVBAGLBSA-N 301.346 2.172 0 40 DEAB CSCc1cccc(S(=O)(=O)NCc2cccnc2)c1 72240353 DXSKFQAANQMIJO-UHFFFAOYSA-N 308.428 2.423 0 40 DEAB O=C(NC[C@H](O)C1CCOCC1)[C@H]1C[C@H]1c1ccc(Cl)cc1 77049854 WFJWLLJFWMFTBG-JYJNAYRXSA-N 323.820 2.347 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN1Cc1ccccc1 79394276 WYAPIJUGIDSORX-IRXDYDNUSA-N 303.450 2.093 0 40 DEAB Cc1cc(O)c(C2=Nc3ncnn3[C@@H](c3ccccc3)C2)c(=O)o1 36621713 SMEXQYLPVKDRTE-CYBMUJFWSA-N 322.324 2.359 0 40 DEAB CCOC(=O)c1csc(=O)n1Cc1csc(C2CC2)n1 128138614 MMNMICOTYOEFJB-UHFFFAOYSA-N 310.400 2.469 0 40 DEAB COc1cccn2cc(CCN3C(=O)c4ccccc4C3=O)nc12 73647964 HZQUXAONGNOHSD-UHFFFAOYSA-N 321.336 2.182 0 40 DEAB CN(CC(=O)O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79390913 SMDQAKOSGKSTBB-OAHLLOKOSA-N 320.389 2.052 0 40 DEAB CCN1CCN(CCC(=O)N(C)[C@@H]2CCc3ccccc32)CC1 79335583 MIMQXSJMIRJIRF-GOSISDBHSA-N 315.461 2.160 0 40 DEAB Cn1ccc(NC(=O)CCCOc2nn(C)c3ccccc23)n1 226865336 OAOGLYYDQDALFS-UHFFFAOYSA-N 313.361 2.105 0 40 DEAB Cn1c(CN2C(=O)NC(C3CC3)(C3CC3)C2=O)nc2ccccc21 195200154 MPVFBWZXSLYISR-UHFFFAOYSA-N 324.384 2.184 0 40 DEAB CCN(CC)C(=O)Cn1cc(COc2cccc(C)c2)nn1 227161008 KOBSVHTVWYIMSE-UHFFFAOYSA-N 302.378 2.034 0 40 DEAB Cc1cccc(OCc2cn(CC(=O)N3CCCCC3)nn2)c1 227160151 BTCBCHHOVIKMJL-UHFFFAOYSA-N 314.389 2.178 0 40 DEAB CC[C@@H]1CN(C)c2ccccc2CN1CCCS(C)(=O)=O 88562116 DYTHEZOMHWTHAW-OAHLLOKOSA-N 310.463 2.152 0 40 DEAB CCOCCCNS(=O)(=O)c1c(C)cc(OC)cc1C 47462003 JIFVNQLVFJFZNJ-UHFFFAOYSA-N 301.408 2.017 0 40 DEAB Cc1ccc2c(c1)OC1(CCN(C(=O)N(C)C)CC1)CC2=O 225816713 KBBGFDJYGAZBFY-UHFFFAOYSA-N 302.374 2.476 0 40 DEAB CC1(C(N)=O)CN(C(=O)c2ccc(C(F)(F)F)cc2Cl)C1 575408506 PMBHYFJSHOTNEG-UHFFFAOYSA-N 320.698 2.306 0 40 DEAB COc1cccc2c1ccn2CCNC(=O)c1[nH]nc2c1CCC2 95476674 UYOSCIZXKHPLOQ-UHFFFAOYSA-N 324.384 2.292 0 40 DEAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)c1cccs1)C2 96198063 XHVMCRNPTOIZIF-LBPRGKRZSA-N 305.403 2.351 0 40 DEAB C[C@@H](CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1)[S@](C)=O 96494738 HLODZYIMULHDPH-HXNGOWOSSA-N 322.352 2.012 0 40 DEAB Cc1cc(NC(=O)N2CCN(Cc3ccncc3)CC2)sn1 96452818 WHCBFOKSWIWGNW-UHFFFAOYSA-N 317.418 2.196 0 40 DEAB CN1C[C@@H](N[C@H](Cc2ccccc2)C(F)(F)F)CCC1=O 96478047 ZEJVIZJSYFVHLG-QWHCGFSZSA-N 300.324 2.370 0 40 DEAB O=C(c1cccnc1)N1CCC2(CCN(c3ncccn3)CC2)C1 96157495 MTNGEXLTFCLWIE-UHFFFAOYSA-N 323.400 2.004 0 40 DEAB O=C(c1cscn1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 96082786 SSPLUDZIMQAWEV-AEGPPILISA-N 322.430 2.189 0 40 DEAB O=C(NCCCc1nnc2ccccn12)NC(C1CC1)C1CC1 96455000 NHLKSUJGINKCRG-UHFFFAOYSA-N 313.405 2.150 0 40 DEAB CC/C=C(\C)C(=O)N(CCCO)S(=O)(=O)c1cccs1 96404492 AXWYNABNQBNGBC-IZZDOVSWSA-N 317.432 2.004 0 40 DEAB CC(C)c1nnc2n1C[C@@H](NC(=O)CSC(F)(F)F)CC2 95393663 GHXRYMILKRDKIG-QMMMGPOBSA-N 322.356 2.086 0 40 DEAB CC[C@H](C)NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 244542089 ZZEKENKIKKJPBZ-AWEZNQCLSA-N 302.418 2.382 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3CCCO3)C2)c1 248153454 YLGIAIXDRWULOF-GOEBONIOSA-N 320.433 2.393 0 40 DEAB O=C([C@@H]1CCCN(Cc2cc(F)cc(F)c2)C1)N1CCOCC1 179890474 LQOURFWTKOGYAQ-CQSZACIVSA-N 324.371 2.036 0 40 DEAB O=S(=O)(NC1CCC(n2cccn2)CC1)c1ccccc1F 618256764 MKBGBIOJAHGXSR-UHFFFAOYSA-N 323.393 2.484 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1cnccn1 257283500 OYPNITHUPQBRBE-KRWDZBQOSA-N 321.384 2.498 0 40 DEAB CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2ccncn2)o1 257341161 ZJBQHSSXIFDRME-ZDUSSCGKSA-N 315.377 2.279 0 40 DEAB O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@H]1c1ccncn1 257300441 RUHHFCBBKDPWBO-INIZCTEOSA-N 323.400 2.449 0 40 DEAB Cc1ccc(NC(=O)N2CCN(C)C(=O)C2)cc1OC(C)C 278597946 IEUYXWVNYCRXSP-UHFFFAOYSA-N 305.378 2.088 0 40 DEAB CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(C)o2)s1 279364737 JCXDWTCVEMKNNO-UHFFFAOYSA-N 313.400 2.373 0 40 DEAB CO[C@@]1(CCC(=O)N(C)C)CCCN(Cc2ccncc2C)C1 585275271 BOTIJEQOMHKHHF-GOSISDBHSA-N 319.449 2.239 0 40 DEAB O=C(COC(=O)[C@@H]1C[C@@H]1c1ccco1)Nc1ccc(O)cc1 64584344 ZRLFGLLNKDNJSE-QWHCGFSZSA-N 301.298 2.271 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@@H](CN(C)C)c1ccccc1 58392210 BOMKDSHEWHWKRU-KRWDZBQOSA-N 315.465 2.187 0 40 DEAB CN(C)C1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCOCC1 78707139 ZQHCFXPYYVDOBZ-UHFFFAOYSA-N 320.477 2.430 0 40 DEAB CCCCNC(=S)N1CCN(c2ccccc2OC)CC1 5567772 XDTOWFLJHJEFQR-UHFFFAOYSA-N 307.463 2.492 0 40 DEAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 5017885 PMZKFJJGARWNHV-HGSJOUDDSA-N 311.337 2.175 0 40 DEAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 13278373 KRNYOUSXNZQBGA-UHFFFAOYSA-N 303.339 2.136 0 40 DEAB CNc1nc(C)c(C(=O)NCC(C)(C)N2CCCCC2)s1 19656577 AYAPWOOCSVTUJG-UHFFFAOYSA-N 310.467 2.488 0 40 DEAB O=C(NCC1CCOCC1)c1ccnc(O[C@H]2CCSC2)c1 225723910 UROBEGZVPUFOPZ-AWEZNQCLSA-N 322.430 2.122 0 40 DEAB O=C(C1CC1)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1 1888834371 VIJOGVXMZMXIKL-UHFFFAOYSA-N 317.286 2.298 0 40 DEAB Fc1cnc(NC2CN(c3cc(C(F)(F)F)ccn3)C2)nc1 1889091915 TWTPWMALUSALBK-UHFFFAOYSA-N 313.258 2.330 0 40 DEAB CN(Cc1cccc(F)c1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 33000168 LMFRDOBRDWGCDI-XJKSGUPXSA-N 322.405 2.238 0 40 DEAB COCCN1C(=O)C[C@H]2[C@H](CNC(=O)CC(C)(C)C)[C@@H](C)C[C@H]21 1775964473 ZNLZNBLLGKQKGO-BYNSBNAKSA-N 324.465 2.058 0 40 DEAB biogenic,in-vitro CN(C)[C@H]1CC2(CCN(C3CCCCC3)CC2)OC[C@]1(C)O 2037849806 MKXHTLQTBLCADQ-IRXDYDNUSA-N 310.482 2.255 0 40 DEAB COc1cnc(O[C@H]2CCN(c3ncc(Cl)cc3F)C2)nc1 2087128972 HASAMIGNDKGASC-JTQLQIEISA-N 324.743 2.330 0 40 DEAB Cc1cc(N2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@H]3C2)ncn1 1889367490 XCJIVNNSDUVQHB-GASCZTMLSA-N 323.400 2.385 0 40 DEAB COc1ccc(CC(=O)NC[C@@H](OC)c2ccco2)cc1OC 206861122 BILJGZHXXRVLFP-MRXNPFEDSA-N 319.357 2.343 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)N(C)Cc1cnn(C)c1)C2 40488626 DJOLFFWYTXJNCW-HNNXBMFYSA-N 301.415 2.404 0 40 DEAB CC(C)NC(=S)NC(=O)c1ccccc1Br 2136309 MRRUMNQUMBRIAW-UHFFFAOYSA-N 301.209 2.462 0 40 DEAB Cc1ccc(OCc2nc(C)c(C(=O)N(C)CCO)s2)cc1 20428493 RTQPTCNZNAMRQG-UHFFFAOYSA-N 320.414 2.403 0 40 DEAB CCc1ccc([C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 4299280 FOZCGLMNNKZIET-STQMWFEESA-N 309.362 2.260 0 40 DEAB C[C@@]12C[C@H](c3ccccc3O1)[C@H](C(=O)N1CCCCC1)C(=O)N2 101639078 LXRVJTYVYXVCNN-XUWXXGDYSA-N 314.385 2.027 0 40 DEAB CCc1ccc([C@H]2COCCN2C(=O)[C@H](N)c2ccccc2)o1 96499682 LUPWTHCNJQEOOY-NVXWUHKLSA-N 314.385 2.442 0 40 DEAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccncc2)CN1CC1CC1 46332536 YGBOHGQJZXTIPY-CVEARBPZSA-N 313.401 2.004 0 40 DEAB O=C1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H]2C[C@@H]3CC[C@@H]2C3)CN1 102767504 CUDHLFWVYWBVLG-RBGFHDKUSA-N 304.434 2.330 0 40 DEAB CN1CCC(n2nc([C@@H]3CCOC3)nc2C2CC=CC2)CC1 102534046 QHPCYTPMEADJBA-CQSZACIVSA-N 302.422 2.482 0 40 DEAB Cn1cnnc1SCC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 102140921 CYTJENVHOSLDRD-UEKVPHQBSA-N 308.451 2.238 0 40 DEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1O 102163429 MWWPCHDXURECTG-MBNYWOFBSA-N 305.374 2.490 0 40 DEAB Cc1noc(C)c1COc1ccc(C(=O)NCCN(C)C)cc1 9604961 VFBOIHPAYQKZPQ-UHFFFAOYSA-N 317.389 2.162 0 40 DEAB CCOc1ncccc1C(=O)N(CCC(N)=O)c1ccccc1 32848085 PBZKJKVZCGGVEA-UHFFFAOYSA-N 313.357 2.003 0 40 DEAB O=C1CN(c2ccc(F)cc2)C(=O)CN1c1ccc(F)cc1 501378 NZRCNWLBCSPUMY-UHFFFAOYSA-N 302.280 2.345 0 40 DEAB CSc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102303624 SJHBBAFQUSGOOG-UKJIMTQDSA-N 305.355 2.001 0 40 DEAB CC(C)c1noc(CCCC(=O)NC[C@H](C)N2CCCC2)n1 46781243 BAYWNXXSGHAJHZ-ZDUSSCGKSA-N 308.426 2.116 0 40 DEAB S=C(NCCN1CCOCC1)N1CCC[C@@H]1c1ccccc1 55030023 YDJIDAKHFANFOD-MRXNPFEDSA-N 319.474 2.030 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(C)cc1 20057452 OVSACNJGYGVYJL-XDNAFOTISA-N 302.370 2.213 0 40 DEAB C[C@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(Cl)s1 25275845 QNYZRLMBIMSGIR-IUCAKERBSA-N 315.826 2.369 0 40 DEAB CC[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1C[C@H](C)O 106906824 HMLHAQFNJFKBLS-KBPBESRZSA-N 309.454 2.249 0 40 DEAB CC(C)C(=O)N1CCC(NC(=O)Cc2ccc(F)cc2)CC1 25753330 ORFAUVTZLVFMBP-UHFFFAOYSA-N 306.381 2.131 0 40 DEAB CNC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1 43727392 UFCWGVFXMQVFKB-LLVKDONJSA-N 320.458 2.471 0 40 DEAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)NC1CC1 3255052 DHUBRVPUNNDVDK-UHFFFAOYSA-N 305.349 2.459 0 40 DEAB CCN(Cc1ccncc1)C(=O)c1cccc(N2CCNC2=O)c1 58179436 XFYVZZJVJGVOAP-UHFFFAOYSA-N 324.384 2.274 0 40 DEAB COCCN(C)CCCNC(=O)c1ccc(Cl)cc1OC 58390812 WRASFJREGDWYEB-UHFFFAOYSA-N 314.813 2.047 0 40 DEAB COC(=O)c1c(C)cccc1NCC(=O)N1CCC[C@H](C)C1 12752052 OWUZZHBVQPDQLY-LBPRGKRZSA-N 304.390 2.452 0 40 DEAB OCCN(Cc1ccccc1)C[C@@H](O)c1cc(F)ccc1F 62360701 JAJGVTQDKVCQLH-QGZVFWFLSA-N 307.340 2.493 0 40 DEAB COc1cc(CN(C)C(=O)Nc2cccnc2OC)ccc1O 48332225 OCCYMGZKQVMRMZ-UHFFFAOYSA-N 317.345 2.468 0 40 DEAB Cc1nn(C)c2ncc(CNCC3(N(C)C)CCCC3)cc12 48353502 PVJIHMGWCYAOMT-UHFFFAOYSA-N 301.438 2.241 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2csc(C)n2)CC1 62633555 BMZMUZCPCNPLQN-UHFFFAOYSA-N 317.414 2.423 0 40 DEAB Cc1nc(N2CCN(C)CC2)sc1C(=O)Nc1ccccc1 7778603 PUSNPKBVVYJSKB-UHFFFAOYSA-N 316.430 2.456 0 40 DEAB CC(C)c1cc(NC(=O)Cn2cnc3ccccc3c2=O)on1 12972653 MBAQDWLOCVCGEE-UHFFFAOYSA-N 312.329 2.147 0 40 DEAB CC(=O)Nc1ccccc1O[C@@H](C)C(=O)NCc1ccco1 7987514 AQPDGTDVPOGNTC-NSHDSACASA-N 302.330 2.322 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(Cl)c(Cl)n1C 49090974 HUYGRJRDIAWJIS-YUMQZZPRSA-N 318.204 2.058 0 40 DEAB O=C(NCCc1ccccc1)N1CCC(C2OCCO2)CC1 69221867 YGZPAANZTMBQCB-UHFFFAOYSA-N 304.390 2.024 0 40 DEAB CC[C@](C)(NC(=O)CCC(=O)c1ccc(C)cc1)C(=O)OC 69374256 ZNTWJAKOBWVWCR-KRWDZBQOSA-N 305.374 2.416 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@H](n2cccn2)C1 69323907 NGTCDIAXHZSSAH-ZDUSSCGKSA-N 313.357 2.132 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1c(F)cccc1F 6383856 KHHHCNVQYDYEJQ-UHFFFAOYSA-N 316.263 2.200 0 40 DEAB COC(=O)c1cc(C(=O)NC2CCCC2)n(-c2ccccc2)n1 65519468 KFZSISYOOHORQP-UHFFFAOYSA-N 313.357 2.331 0 40 DEAB O=c1n(CCNc2ccc(OC(F)F)cc2)nc2ccccn12 65594579 ANDVKSPDWQNECT-UHFFFAOYSA-N 320.299 2.210 0 40 DEAB CCCc1cc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)sc1C 14162481 QEIGJLGSDNJPPS-JTQLQIEISA-N 313.375 2.057 0 40 DEAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc2ccccc2n1 69570706 AESPLTHTTAJQJX-CYBMUJFWSA-N 315.398 2.485 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69528962 XQHMXZNDSZHAAR-CABCVRRESA-N 303.406 2.179 0 40 DEAB CCc1cccc(CC)c1N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 6658467 VVJIELRLSVZEOB-OLZOCXBDSA-N 324.471 2.465 0 40 DEAB O=C(Cn1cncn1)NC1c2ccccc2Oc2ccccc21 69742300 NPBCYBNIMYFUQH-UHFFFAOYSA-N 306.325 2.290 0 40 DEAB CC(C)(C)c1ccc(NC(=O)NCCn2ncccc2=O)cc1 23237080 PNAGLVWCBZMGOR-UHFFFAOYSA-N 314.389 2.363 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)/C=C/c2ccco2)c1 69893480 NPJWKGIZJGCNSY-BQYQJAHWSA-N 314.341 2.446 0 40 DEAB Cc1noc([C@H]2CCCN(Cc3nc(N)c4ccccc4n3)C2)n1 69814333 CDLWVOHFKNXGAO-LBPRGKRZSA-N 324.388 2.283 0 40 DEAB CC[C@H](C)NC(=O)COC(=O)CCc1ccc(OC)c(OC)c1 7204027 PPPHICRYLIUJKQ-LBPRGKRZSA-N 323.389 2.094 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H](n2ccnc2)C1 69917381 GDRRLTXNPPHUHU-MRXNPFEDSA-N 311.385 2.224 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1nnc(-c3ccccc3)o1)C2 69923059 ZOIHPISIJZAYKH-UHFFFAOYSA-N 324.388 2.467 0 40 DEAB COCCOCCC(=O)N1CCCc2c(C)ccc(OC)c21 67842151 GEFWKAMQUUCFRN-UHFFFAOYSA-N 307.390 2.336 0 40 DEAB Cc1ccccc1C1(C(=O)N[C@H](C)C[C@@H](C)O)CCOCC1 96009066 DFCBZYUNHNLYCE-HUUCEWRRSA-N 305.418 2.319 0 40 DEAB COC(=O)c1[nH]c(C)cc1NC(=O)c1cnc2ccccc2n1 71890916 IWMHCOMDZCOANE-UHFFFAOYSA-N 310.313 2.305 0 40 DEAB O=C1C[C@H](c2nc3ccsc3c(=O)[nH]2)CN1CC1CCC1 89885397 JWVZVGWDVQEZPJ-JTQLQIEISA-N 303.387 2.101 0 40 DEAB C[C@H](NC(=O)c1ccc(O)cc1F)C(=O)Nc1ccccc1 97046578 RYZHINWVBPPTDF-JTQLQIEISA-N 302.305 2.288 0 40 DEAB CO[C@H](C(=O)NCc1cn(-c2ccccc2)nn1)c1ccccc1 87427868 NIOZZEDEKCNANS-KRWDZBQOSA-N 322.368 2.271 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)NCCCc2cccc(F)c2)C1 89919438 CJMCPFAYIUKSDI-KRWDZBQOSA-N 322.380 2.353 0 40 DEAB OCCn1ncc2c(N3CCC[C@H]3c3cccs3)ncnc21 97199770 BSBBVCMWQCXXJJ-LBPRGKRZSA-N 315.402 2.222 0 40 DEAB Cn1ncnc1CNC(=O)NCC1(Cc2ccccc2)CCC1 84303990 SNTJFZNUVFLZGV-UHFFFAOYSA-N 313.405 2.027 0 40 DEAB CC1(C)CCCN1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97372713 KNRUXPSYUDGBDO-AWEZNQCLSA-N 316.405 2.161 0 40 DEAB CS[C@@H](CO)[C@@H](C)NC(=O)Cc1ccccc1C(F)(F)F 95427446 IVRGZPUNOOCPTH-SKDRFNHKSA-N 321.364 2.477 0 40 DEAB C[C@@H](CCn1cncn1)NCC(C)(C)c1ccc2c(c1)OCO2 95421303 SKQJNKBAVXEYCS-ZDUSSCGKSA-N 316.405 2.353 0 40 DEAB CCCN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1C[C@@H](OCC)C1(C)C 78869545 UIRALHHUYWTMOY-HUUCEWRRSA-N 320.433 2.441 0 40 DEAB CNC(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)Cc2cccs2)C1 74627889 YWLFDOHQGLPRLZ-QWHCGFSZSA-N 323.462 2.094 0 40 DEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](OCC)C2)c1 1519040473 OZMJRHZZPXCBKC-CYBMUJFWSA-N 318.373 2.158 0 40 DEAB Cc1cc(C)n(-c2ccc(NCCOc3cccnc3)nn2)n1 77978683 JILAMLICQAVSSH-UHFFFAOYSA-N 310.361 2.165 0 40 DEAB CC(C)N(C[C@H]1CCCN1CC(=O)O)C(=O)OC(C)(C)C 79410652 YJHDPAZVKYQWSV-GFCCVEGCSA-N 300.399 2.181 0 40 DEAB CC1=C(C(=O)NC(C)(C)C)C[C@@H](C(=O)NC(C)(C)C)[C@H](C)N1 31852473 FJYFISLNIKEFCS-CMPLNLGQSA-N 309.454 2.088 0 40 DEAB CCc1ccc(S(=O)(=O)NC[C@@H](O)c2cccs2)s1 74558919 VAVKLXUKEGXFKD-SNVBAGLBSA-N 317.457 2.384 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccccn2)C[C@H](c2ccsc2)O1 133644459 RRKFIMPBZXSPJL-DGCLKSJQSA-N 324.427 2.294 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N[C@@]1(C(=O)O)CCSC1 43508691 VVGRUAJEQPYONS-ZDUSSCGKSA-N 317.769 2.098 0 40 DEAB Cn1cncc1-c1nnc([C@H]2CCN(C(=O)c3ccccc3)C2)o1 49170794 IUJCFAMCNPGBPK-ZDUSSCGKSA-N 323.356 2.100 0 40 DEAB biogenic,in-vitro CCOCCCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 42646564 XJCGDGUKJWKUPP-UHFFFAOYSA-N 306.406 2.465 0 40 DEAB C[C@@H]1CCN(c2cc(N3CCSCC3)ncn2)CCS1 225492663 HWWYUFXUSDIHHJ-GFCCVEGCSA-N 310.492 2.362 0 40 DEAB CCCN1CCC[C@@H]1C(=O)NC[C@@](C)(O)c1cc(C)oc1C 195536337 CGOFNMXLHUOTKZ-NVXWUHKLSA-N 308.422 2.095 0 40 DEAB COCCCNC(=O)c1sc(NCc2ccco2)nc1C 44917117 YVAMGQKKQLFGDL-UHFFFAOYSA-N 309.391 2.423 0 40 DEAB O=C(NCCC1CCCC1)C(=O)Nc1ccc2c(c1)OCO2 41827351 HBFOFOUJWQTYKA-UHFFFAOYSA-N 304.346 2.050 0 40 DEAB CC(C)[C@H]1CN(C(=O)c2ccc3c(c2)nc(O)n3C)CCCO1 572558241 YROUYVLPESFYNS-OAHLLOKOSA-N 317.389 2.166 0 40 DEAB CC(C)CNC(=O)[C@H](C)Nc1ccc(O[C@H]2CCOC2)cc1 96417573 BLWVWMOLTFXJMX-BBRMVZONSA-N 306.406 2.427 0 40 DEAB O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccncc3)[C@H]2C1 96054191 UBBAATOVOJTJKZ-CVEARBPZSA-N 311.385 2.411 0 40 DEAB CC1CCC(N2CCC(NS(=O)(=O)CCCF)CC2)CC1 95408803 KHWFVUUBAKBZOL-UHFFFAOYSA-N 320.474 2.309 0 40 DEAB C[C@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 96502151 OSOCEBYXTSWDCD-AEGPPILISA-N 316.405 2.065 0 40 DEAB C[C@H](CN1CCOCC1)OC(=O)c1ccc2ncccc2c1 96502350 WDLHMCMUTWDPOC-CYBMUJFWSA-N 300.358 2.112 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cc1)C2 96039085 IZKDDNFCDPIQJS-SJLPKXTDSA-N 321.392 2.412 0 40 DEAB COc1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)O)cc1 245377210 IWICKOBLUJZCTL-OSLXHZNNSA-N 313.353 2.403 0 40 DEAB Cn1cccc1C(=O)N1CCC(c2ccnc3ccnn23)CC1 257259429 KYHOOXIGOWBGSY-UHFFFAOYSA-N 309.373 2.088 0 40 DEAB O=C(O)c1ccc(C2CCN(C(=O)c3ccccn3)CC2)nc1 257235244 GXALBUCKJMAPDJ-UHFFFAOYSA-N 311.341 2.195 0 40 DEAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1cccc(Cl)c1 257319316 VRVGLDSCKBWJOC-MRXNPFEDSA-N 316.792 2.107 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Nc1cnc(-n2cccn2)nc1 85470369 JPVAMWVRLLEUIJ-UHFFFAOYSA-N 313.748 2.497 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCCCc1ccccc1 298131312 HKMHCEOXPSPDJY-GDBMZVCRSA-N 302.418 2.430 0 40 DEAB CC(=O)N1C[C@@H](COCC2CC2)C2(CCN(C(C)C)CC2)C1 585102729 CASOZRDOKOLGEO-KRWDZBQOSA-N 308.466 2.382 0 40 DEAB COCCNC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1 48100607 YRDCIXNUIKKIJY-CYBMUJFWSA-N 319.405 2.469 0 40 DEAB Cc1nnc(N2CCN(c3ccnc(C(C)(C)C)n3)CC2)s1 1548522613 AESHXJQFNPXTDV-UHFFFAOYSA-N 318.450 2.261 0 40 DEAB CCc1cccc(S(=O)(=O)NCc2cccc(C(=O)O)c2)c1 576408455 MPSOWRJOXBWWCV-UHFFFAOYSA-N 319.382 2.426 0 40 DEAB NC(=O)COc1ccc([C@@H]2NN=C(c3ccccc3)S2)cc1 5899930 RQFRUEQUQANEHJ-MRXNPFEDSA-N 313.382 2.248 0 40 DEAB COC(=O)[C@@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)OC1 238364546 IAKYYWIEGKYBEA-GFCCVEGCSA-N 313.394 2.356 0 40 DEAB Cc1nccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889095561 YZOOBNHZIHHSBP-UHFFFAOYSA-N 324.375 2.259 0 40 DEAB COc1cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)ccc1C 28016208 HIKJYRFCPODUMP-INIZCTEOSA-N 320.433 2.090 0 40 DEAB Cc1cc(C(=O)N2CC(n3c(C)nc4ccccc43)C2)nn1C 1775973988 TYGUFJLPLXWOQD-UHFFFAOYSA-N 309.373 2.084 0 40 DEAB CSc1ccc([C@@H](O)CNc2cc(C)nc3ncnn23)cc1 1775972661 PZPISAWFHNOTIJ-ZDUSSCGKSA-N 315.402 2.300 0 40 DEAB O=C(NC[C@@H]1CCCN1c1nc2ccccc2o1)c1ccno1 206770706 SPPPNXRCKPYRLC-NSHDSACASA-N 312.329 2.215 0 40 DEAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H]1Cn1nccn1 618254677 CVFGXJFYLDSABE-KRWDZBQOSA-N 321.384 2.374 0 40 DEAB O=C1N[C@]2(CCSC2)C(=O)N1Cc1cccc2cccnc12 29865882 FWCAVOVGAAXXHV-INIZCTEOSA-N 313.382 2.162 0 40 DEAB CCc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)NC(N)=O)o1 96417150 JAAOHVSODCOKEA-AAEUAGOBSA-N 307.394 2.343 0 40 DEAB OCc1nc2ccccc2n1C[C@H](O)COc1ccccc1F 40459028 YNQNINFPDJSWRJ-LBPRGKRZSA-N 316.332 2.108 0 40 DEAB NC(=O)c1ccccc1NC(=O)COc1ccc(Cl)cc1 513614 FUBVXKLGYNUYKJ-UHFFFAOYSA-N 304.733 2.456 0 40 DEAB NC(=O)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1Cl 100602638 NJTIDYBULLXBFW-NXEZZACHSA-N 306.749 2.119 0 40 DEAB CCc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)cc1 40539059 JCWYONSNFFQPIM-UHFFFAOYSA-N 316.445 2.433 0 40 DEAB CSc1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)c1 2462091 KSXDTYFVTHBTRA-GHMZBOCLSA-N 314.457 2.089 0 40 DEAB COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cccc32)c1 4393225 IBGOJVQNCOZDPI-SFHVURJKSA-N 311.337 2.416 0 40 DEAB NC(=O)Nc1ccc(C(=O)OCC(=O)c2ccccc2F)cc1 7975589 VZGBJLFBRORHAJ-UHFFFAOYSA-N 316.288 2.356 0 40 DEAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1 21136505 YQKWSKXZMUPVOB-YGRLFVJLSA-N 300.362 2.256 0 40 DEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCc1ccccc1 102129661 NIXHTUDUMQRUHY-GJZGRUSLSA-N 313.353 2.071 0 40 DEAB COc1cc(NS(=O)(=O)c2ccc(N)cc2)cc(OC)c1 21509145 MQFOJBDFKXNQSH-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB Cc1ccc(CN(C)C(=O)c2cccc(-n3cnnn3)c2)cc1 8279619 ASNTVZPXHKVYHF-UHFFFAOYSA-N 307.357 2.243 0 40 DEAB O=C(NCC(=O)N1CCC[C@H]1c1ccncc1)c1ccccc1 32907491 OOMFEMKESRKTBV-INIZCTEOSA-N 309.369 2.175 0 40 DEAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 101359158 ALIIIWWOFFCEST-YXAMBPQSSA-N 311.337 2.209 0 40 DEAB CCN(Cc1ccco1)C(=O)NCc1c(C)cc(C)[nH]c1=O 75117956 KJQFULHHUATFNM-UHFFFAOYSA-N 303.362 2.316 0 40 DEAB Cc1ccc(-c2nc(CN(C)CC(=O)N(C)C)co2)c(C)c1 29976775 QDBJRVTXCVVKOD-UHFFFAOYSA-N 301.390 2.478 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)C(=O)NC[C@@H]2C[C@H]2C)c1 42054519 JZFPFJLENWFKOH-NEPJUHHUSA-N 320.389 2.195 0 40 DEAB COCCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 22618522 PALVKSFZRGYCFC-UHFFFAOYSA-N 309.366 2.110 0 40 DEAB O=C(CN1CCC[C@@H]1c1cccc(F)c1)Nc1nncs1 53718530 XTZPFFPJQASRDM-GFCCVEGCSA-N 306.366 2.453 0 40 DEAB O=C(NCc1nnc(S)n1C1CC1)c1cc2ccccc2[nH]1 104007236 ZOIOOQKEPISJCK-UHFFFAOYSA-N 313.386 2.313 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 108321885 AUIPYABPZWHBKA-ZIAGYGMSSA-N 322.405 2.206 0 40 DEAB O=c1c2cccc3c2c(nn1CN1CCOCC1)-c1ccccc1-3 23224619 PELFLHJNFVUUPI-UHFFFAOYSA-N 319.364 2.334 0 40 DEAB O=c1oc(-c2cccs2)nn1CN(C[C@H]1CCOC1)C1CC1 54495689 DROXMMCCTGXGBP-LLVKDONJSA-N 321.402 2.023 0 40 DEAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 105711399 SQGLTKOYIGEYMT-SCRDCRAPSA-N 314.385 2.137 0 40 DEAB COC(=O)c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)s1 25003215 RRKFVGSSXXSRKZ-QMMMGPOBSA-N 307.375 2.068 0 40 DEAB Cc1cnn(C[C@H]2CCCN2[C@@H](C(N)=O)c2ccc(F)cc2)c1 106784538 PUZQOJYMBKNZAX-HZPDHXFCSA-N 316.380 2.022 0 40 DEAB Cc1ccccc1C(C)(C)CNC(=O)CNC(=O)c1ccoc1 69456568 ZWOTZLXZNHFYOT-UHFFFAOYSA-N 314.385 2.412 0 40 DEAB CCCN(CC(=O)N(C)C)Cn1nc(C(C)(C)C)oc1=S 58004755 ROIGAQCNXGSZKL-UHFFFAOYSA-N 314.455 2.261 0 40 DEAB COc1ccc(NCCC(=O)Nc2c(C)nn(C)c2C)cc1 58009984 MKRZXOBZXNTESO-UHFFFAOYSA-N 302.378 2.486 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 44889552 AHRVVDJRDYQBCP-XJKSGUPXSA-N 316.401 2.032 0 40 DEAB COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1OC 2109193 YRNZWOUDAACXRP-RDTXWAMCSA-N 319.401 2.471 0 40 DEAB biogenic COCCN(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 44955514 WHCAISAFPULFSP-UHFFFAOYSA-N 320.414 2.372 0 40 DEAB CCc1nnsc1C(=O)NCCCCN1CCCC[C@@H]1C 44941682 QVSVRXMGPBAAHP-LBPRGKRZSA-N 310.467 2.485 0 40 DEAB O=C(N[C@H]1CCCN(c2ncccn2)C1)N1CCc2ccccc21 44971822 NRZBNEDBPBAZRK-HNNXBMFYSA-N 323.400 2.218 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 58357793 DIQYFYHPLXSIPW-LLVKDONJSA-N 324.388 2.109 0 40 DEAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C(=O)O)C(C)C)c1C 3374957 FSSJWNVCOOWYHL-ZDUSSCGKSA-N 313.419 2.308 0 40 DEAB in-vitro COc1ccc(C(C)=O)cc1CC(=O)Nc1c(C)nn(C)c1C 48326903 WXFVXKHKPVWYAX-UHFFFAOYSA-N 315.373 2.429 0 40 DEAB C[C@@H]1COCCN1C(=O)CCCc1nc(-c2ccccc2)no1 48311053 TUEQACVLJUQMKJ-CYBMUJFWSA-N 315.373 2.307 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1 3472653 QODQHFFQKUJABK-UHFFFAOYSA-N 303.383 2.459 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)O)CC1 13425644 YTXOCJOAGWMTOZ-GQCTYLIASA-N 303.358 2.340 0 40 DEAB COc1ccc(CC(=O)NCCN(C)C(=O)OC(C)(C)C)cc1 69537719 VMZYFPBQIRIJQA-UHFFFAOYSA-N 322.405 2.221 0 40 DEAB CC(C)n1cc(CN2CCCN(C(=O)c3ccc[nH]3)CC2)cn1 69534793 HYHXUIROGNWSRO-UHFFFAOYSA-N 315.421 2.140 0 40 DEAB CCn1cc(C2=Nn3c(nnc3C(F)(F)F)SC2)c(C)n1 4291299 ZMZPDRCBHKZDJC-UHFFFAOYSA-N 316.312 2.180 0 40 DEAB CCC(=O)N1CCCN(C(=O)c2cccc3c2ccn3C)CC1 69616700 LHJOZZSZFNBXDS-UHFFFAOYSA-N 313.401 2.263 0 40 DEAB CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-] 4301305 KEYNXOQQUVPVLM-UHFFFAOYSA-N 312.281 2.021 0 40 DEAB CC[C@](C)(NC(=O)c1ccc(N2CCC(C)=N2)cc1)C(=O)OC 65578922 NRVUKVVNGDFJJT-KRWDZBQOSA-N 317.389 2.344 0 40 DEAB Cc1nc(CN2CCC[C@H](NCCOc3ccccc3)C2)no1 69819940 AGAJLHBTHMNKKU-HNNXBMFYSA-N 316.405 2.011 0 40 DEAB O=C1CCc2cc(NC(=O)c3cnn4ccccc34)ccc2N1 69817208 SHGTZYPTXXCNPV-UHFFFAOYSA-N 306.325 2.471 0 40 DEAB NC(=O)[C@H](NCCOc1ccc(F)cc1F)c1ccccc1 69844524 MTAFXVNCCCSCND-OAHLLOKOSA-N 306.312 2.160 0 40 DEAB CC[C@@](C)(O)CNC(=O)Nc1ccccc1Cn1cccn1 66159206 CGKVMUYBXZBNEZ-MRXNPFEDSA-N 302.378 2.214 0 40 DEAB Cc1cnn(CCNCCC(=O)N[C@H](C)c2ccccc2)c1 69951308 JWCKBBOVVBONMT-OAHLLOKOSA-N 300.406 2.049 0 40 DEAB Cc1cc(C)n(-c2ccccc2CNC(=O)c2csnn2)n1 89595849 CYICZLSTNCAFOU-UHFFFAOYSA-N 313.386 2.271 0 40 DEAB COC(=O)c1ccc(Cn2cnc3ccsc3c2=O)cc1 8734848 QISQSJWLCSQPJZ-UHFFFAOYSA-N 300.339 2.293 0 40 DEAB O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CCC[C@H]2OCC[C@H]12 89598036 JYXODVYVWJFWCG-MGPQQGTHSA-N 319.405 2.344 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@H](c1ccco1)N(C)C 15831454 XFJBMOPWMSPPRP-CQSZACIVSA-N 302.374 2.386 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)[C@@H](C)N2CCCCC2)cc1 7780750 NPPKNXPTBJIZTD-OAHLLOKOSA-N 317.433 2.266 0 40 DEAB CCOc1ccc(CSc2nnnn2CC(F)(F)F)nc1 83203660 LUVQUSXYIFFBQW-UHFFFAOYSA-N 319.312 2.321 0 40 DEAB CCc1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)o1 71826705 LHONUUBWYQPLPV-GFCCVEGCSA-N 318.348 2.055 0 40 DEAB O=C(Nc1ccnc2ccnn12)c1cc2ccccc2oc1=O 71888850 WDOWUIYAMOHZHO-UHFFFAOYSA-N 306.281 2.088 0 40 DEAB CC[C@@H](C)[C@H](CO)Nc1cc(C)nc2nc(C(F)(F)F)nn12 71920891 XZAOWAAHOQQURV-APPZFPTMSA-N 317.315 2.270 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)Cc2nnnn2C2CC2)C12CCCC2 71920964 FGNMOJOMRMPEFW-ZIAGYGMSSA-N 305.426 2.178 0 40 DEAB CN(C)c1cc(C(=O)N2CCOC[C@@H]2C2CC2)cc(Cl)n1 89973760 OKESHOHPMFKDMO-GFCCVEGCSA-N 309.797 2.052 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1SCCc2ccccc21 72298530 PPSWOPUBJGEIEK-CJNGLKHVSA-N 313.426 2.345 0 40 DEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1CCc2nccn2C1 72285411 PIGAYLNOSOEOMZ-ZBFHGGJFSA-N 311.385 2.018 0 40 DEAB O=C(CCn1ccccc1=O)N1CCC[C@H](c2nccs2)C1 72273474 AHKKSALZFAILNM-ZDUSSCGKSA-N 317.414 2.101 0 40 DEAB Cn1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1=O 72299859 USQQHGSTLXNPIB-AWEZNQCLSA-N 314.389 2.025 0 40 DEAB CC[C@H]1NC(=O)N(Cc2ccc(Br)s2)C1=O 97011133 FLMBXUGNVGHJMS-SSDOTTSWSA-N 303.181 2.341 0 40 DEAB C[C@H]1[C@@H](C)Sc2ccccc2N1S(=O)(=O)c1c[nH]cn1 97166093 CTKKXPKUXQBBSO-VHSXEESVSA-N 309.416 2.488 0 40 DEAB Cn1cccc1[C@H]1COCCN1C(=O)Cc1ccccc1F 97144131 LOSNFZILUVNFKZ-MRXNPFEDSA-N 302.349 2.307 0 40 DEAB Cc1cnc([C@@H](C)CNC(=O)NC[C@@H]2CCCN(C)C2)s1 97110243 FXALFNHBFRTDIY-AAEUAGOBSA-N 310.467 2.196 0 40 DEAB O=C(C[C@H](O)c1cccc(F)c1)N[C@H](CO)c1ccccc1 97233078 NUPJVWLYPLNFDU-CVEARBPZSA-N 303.333 2.099 0 40 DEAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cn2ccsc2n1 72517664 KKZKFZSBAJKTLT-ZIAGYGMSSA-N 318.446 2.024 0 40 DEAB c1ccc2[nH]c(NC[C@]3(N4CCOCC4)CCSC3)nc2c1 95447140 HNEOUNVTWJBIGK-MRXNPFEDSA-N 318.446 2.183 0 40 DEAB Cc1[nH]c(=O)ccc1C(=O)NCc1cccc(-c2cnn(C)c2)c1 95448097 PGNQTNQPIYKCMI-UHFFFAOYSA-N 322.368 2.014 0 40 DEAB COc1ccccc1C(C)(C)CNC(=O)N[C@](C)(CO)C1CC1 95966576 HMTDCISDILOWER-GOSISDBHSA-N 320.433 2.433 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)Cn2ccccc2=O)C12CCCCC2 78993936 CWEVCZHABLGSPN-LSDHHAIUSA-N 318.417 2.092 0 40 DEAB O=C(CCC(=O)c1cccs1)N[C@@H]1c2ccccc2C[C@@H]1O 75092597 GJLLENFJTQOILF-WMLDXEAASA-N 315.394 2.486 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 78988363 HKPYOEBRFIOWIO-ZBEGNZNMSA-N 324.371 2.413 0 40 DEAB Cc1nc2ncnn2c(Nc2cccc(N3CCNC3=O)c2)c1C 79022766 YILBRIUBBAOKRZ-UHFFFAOYSA-N 323.360 2.014 0 40 DEAB c1cncc(O[C@H]2CCN(Cc3nc(-c4ccco4)no3)C2)c1 79111173 CYTGAXVMUFTNKJ-ZDUSSCGKSA-N 312.329 2.378 0 40 DEAB Cc1noc(C)c1CNS(=O)(=O)c1ccc(F)c(F)c1 60066271 GVHKKUBIUQSSIE-UHFFFAOYSA-N 302.302 2.048 0 40 DEAB O=C(C1=NO[C@]2(CCCNC2)C1)N1CCC2(CCCCC2)CC1 1548538554 UZUQLAJXHRMSHO-GOSISDBHSA-N 319.449 2.458 0 40 DEAB COc1cccc(CCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1 1549746141 ODFPVBUZEUSOGM-CYBMUJFWSA-N 314.389 2.067 0 40 DEAB CCc1oc2ccccc2c1CC(=O)N[C@@H]1CCC(=O)N[C@H]1C 529274671 HXOKPZXOJZMNIG-SMDDNHRTSA-N 314.385 2.321 0 40 DEAB CCCOC(=O)c1cc(N)c(N2CCN(C)CC2)c(Cl)c1 70462672 XEQKRDIXHDQVMH-UHFFFAOYSA-N 311.813 2.241 0 40 DEAB CC(C)C[C@H](C)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21 30425603 IOWNFQYSGFVZSJ-ZDUSSCGKSA-N 303.406 2.233 0 40 DEAB COCCN1CCCC[C@@H]1c1n[nH]cc1-c1ccnc(N)c1 72350735 BTJZAOUKWWTMQU-CQSZACIVSA-N 301.394 2.227 0 40 DEAB O=C(OCc1ccc(F)cc1)c1cn(Cc2ccccn2)nn1 76850372 IFDWEWSVZXOZBP-UHFFFAOYSA-N 312.304 2.218 0 40 DEAB CCCNC(=O)C[S@](=O)Cc1sccc1Br 79324716 ZSLDDMKXQVQHMQ-INIZCTEOSA-N 324.265 2.286 0 40 DEAB COc1cccc(/C(C)=C/C(=O)N2CCCC[C@H]2CC(N)=O)c1 81727909 ALCYZRJJTDQDRY-VOMSXAGXSA-N 316.401 2.355 0 40 DEAB Cc1cc(NC(=O)[C@]2(C)Oc3ccc(Cl)cc3NC2=O)no1 41550278 CKAOOLLMYPPZPH-CQSZACIVSA-N 321.720 2.365 0 40 DEAB Cc1ccc(Br)c(C(=O)N[C@]23CCC[C@@H]2NCC3)n1 1579657438 FOUHKQQGTBBIMO-FZMZJTMJSA-N 324.222 2.167 0 40 DEAB O=C(c1ccncc1)N1CC[C@H](c2nnc(-c3ccncc3)o2)C1 49171083 NIMHOVWEMGSVTC-AWEZNQCLSA-N 321.340 2.156 0 40 DEAB biogenic,in-vitro C[C@@H](CS(=O)(=O)N(C)Cc1cnccn1)c1ccccc1 96482432 ORPQLNUOSWPPHG-ZDUSSCGKSA-N 305.403 2.042 0 40 DEAB Cc1occc1C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 96110635 LYCBHSTYXCJRHY-HZPDHXFCSA-N 311.385 2.187 0 40 DEAB Cc1ccc(OC(=O)C[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 96418981 ZYZCJGHMMHPIIT-JTQLQIEISA-N 302.779 2.379 0 40 DEAB CCN1C[C@H]2[C@H](CC(=O)NCCc3cccs3)COC[C@H]2C1 97953562 UQXIWXUZSNQJSW-FMKPAKJESA-N 322.474 2.011 0 40 DEAB COc1ncccc1C(=O)N1CCN(C)c2cc(F)ccc21 96432415 WEKBPXBLMIRKDO-UHFFFAOYSA-N 301.321 2.326 0 40 DEAB Cc1cccc2c(CCNC(=O)CNCC(F)(F)F)c[nH]c12 96423815 WPDQUNJCVNHOHV-UHFFFAOYSA-N 313.323 2.287 0 40 DEAB Cc1cc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)ccc1F 96459928 QUAPYZIXVNCPCO-VXGBXAGGSA-N 300.351 2.257 0 40 DEAB COc1cc(N2CCC[C@@]3(CCN(CC(C)C)C3)C2)ncn1 96046938 XDGXWQHSIFQLQK-KRWDZBQOSA-N 304.438 2.434 0 40 DEAB O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)[C@@H]1CCCOC1 96456427 BSABTRFNBGKQSF-TZMCWYRMSA-N 308.809 2.462 0 40 DEAB CCOCCCC(=O)N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O 96425961 OBCARHOSTCFQEY-HIFRSBDPSA-N 304.390 2.113 0 40 DEAB O=C(c1ccoc1)N1CCN(c2noc(-c3ccccc3)n2)CC1 97096549 CVCKXQWRHWCEJE-UHFFFAOYSA-N 324.340 2.292 0 40 DEAB CC(C)N1Cc2cncn2[C@@H](C(=O)NCCc2cccs2)C1 247962405 ABGWTURJQJRUOL-OAHLLOKOSA-N 318.446 2.069 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cncs1 257332722 XYJLCUVSWZBYTQ-ZGMNHVEMSA-N 319.430 2.147 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 257273760 NICAQPAPMAQUPI-CYBMUJFWSA-N 309.373 2.082 0 40 DEAB Cc1cc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)no1 257216815 CWERTDXMTYEPSO-HNNXBMFYSA-N 302.378 2.018 0 40 DEAB O=C(Nc1ccccc1N1CCCC1=O)N[C@H]1CCCC[C@H]1O 264010949 BJXNDCOBYAMJNB-DZGCQCFKSA-N 317.389 2.238 0 40 DEAB O=C(Cc1cccnc1)NCc1ccnc(-c2ccncc2)c1 390827558 HPUAFCKGQBHOBJ-UHFFFAOYSA-N 304.353 2.398 0 40 DEAB O[C@H]1CCN(C2CCC2)C[C@]1(O)COc1cccc(Cl)c1 585282749 NKTWXJZUVQEPGF-HOTGVXAUSA-N 311.809 2.069 0 40 DEAB Cc1ccc(-c2nc(C(=O)NCCCC(N)=O)cs2)c(C)c1 63930268 HRLHVSWPSNJHQO-UHFFFAOYSA-N 317.414 2.422 0 40 DEAB CC(C)c1nnc(Cn2nc(-c3ccc(F)cc3)oc2=O)o1 65608104 CYGAINQWXHZHGO-UHFFFAOYSA-N 304.281 2.197 0 40 DEAB Cc1occc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 69328211 ZESOUJXVKQELFC-MRXNPFEDSA-N 312.369 2.208 0 40 DEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 170213630 OPVHUOQVQVKLLI-AWEZNQCLSA-N 317.316 2.060 0 40 DEAB CCOCc1nnc(NC(=O)c2cnc(C(C)(C)C)nc2)s1 12202256 AMZPWKNYCQYVGO-UHFFFAOYSA-N 321.406 2.414 0 40 DEAB Cc1ccc(NC(=O)C(=O)N(C)C(C)C)cc1OC(F)F 163512600 XLPHYYNIHSCLPH-UHFFFAOYSA-N 300.305 2.402 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 242400290 ATIZSGOWKDTQIO-JOCQHMNTSA-N 313.442 2.018 0 40 DEAB COc1ccc(NC(=O)c2cc3c(nn2)CCOC3)cc1Cl 1889120649 TVARQOSHGSCUBG-UHFFFAOYSA-N 319.748 2.464 0 40 DEAB CCn1cc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(C)n1 1848352483 OWIFPTFJAUSWNT-KRWDZBQOSA-N 312.417 2.340 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2CCCO2)CC1 1849465528 AERTVIJCAYHIMX-AWEZNQCLSA-N 310.829 2.210 0 40 DEAB CN(C)[C@@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 1614946122 CSKSJXYBBSXNSV-QGZVFWFLSA-N 316.445 2.331 0 40 DEAB CC(C)N1CCC2(CN(C(=O)COc3cc(F)ccc3F)C2)C1 1073139517 IANSGVNSJUPYFG-UHFFFAOYSA-N 324.371 2.286 0 40 DEAB COc1cc(/C=C/C(=O)N2CCCC2)c(OC)c2c1OCO2 15085917 DHBSAIRWOGBSFL-AATRIKPKSA-N 305.330 2.068 0 40 DEAB C[C@H]1CC[C@H](C(=O)N2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)CC1 2055839570 RNHYWEVFBHIKPZ-JKQORVJESA-N 318.421 2.037 0 40 DEAB O=C(CSc1ccccc1)Nc1nnc(-c2ccno2)o1 21001110 KBQYVPGCDPWNJQ-UHFFFAOYSA-N 302.315 2.455 0 40 DEAB Cc1nc(C)c(CN2CCN(c3ncncc3C)CC2)s1 1775973572 KFZYZNLWIQBYIV-UHFFFAOYSA-N 303.435 2.181 0 40 DEAB CCOC(=O)c1csc(NC(=O)c2cc(C)nn2CC)n1 11696040 MRPJFFGETFLGEJ-UHFFFAOYSA-N 308.363 2.097 0 40 DEAB CC[C@@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)CCO1 30853793 JALHWMQJHSODTG-GFCCVEGCSA-N 321.402 2.368 0 40 DEAB CC(C)(C)NC(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC(C)(C)C 136892 HUXQSVZCFQWVEF-NWDGAFQWSA-N 312.458 2.351 0 40 DEAB CCOC(=O)CSc1nnc(COc2ccccc2OC)o1 418657 LICONWRYVWXPPH-UHFFFAOYSA-N 324.358 2.312 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 31393869 QSBMPGASBZJLGL-NHYWBVRUSA-N 302.374 2.391 0 40 DEAB O=C(O)[C@H]1CCC(=O)N1Cc1csc(-c2ccccc2)n1 1610180 UMJRWQHTIWJGBZ-GFCCVEGCSA-N 302.355 2.386 0 40 DEAB Cc1cc(C)n2nc(CC(=O)NC[C@H](C)c3ccccc3)nc2n1 31489677 BROQXRSQZVMEKA-LBPRGKRZSA-N 323.400 2.204 0 40 DEAB COCc1cccc(CNC(=O)c2csc(NC(C)=O)n2)c1 40535170 ZCIJUUSMCSYESW-UHFFFAOYSA-N 319.386 2.178 0 40 DEAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCCCNC1=O 40521335 QDAVKUILRLEXPA-ZDUSSCGKSA-N 313.357 2.049 0 40 DEAB Cc1ncsc1C(=O)NCc1ccnc(N2CCCC2)c1 40533962 WKNRVEYQVKPVIY-UHFFFAOYSA-N 302.403 2.377 0 40 DEAB Cc1c(C(=O)NC(=S)N2CCOCC2)oc2ccccc12 6233003 MKVVSQTZUDAZLE-UHFFFAOYSA-N 304.371 2.088 0 40 DEAB O=C(c1cccs1)c1ccccc1C(=O)N1CCOCC1 29486926 MAQWXMHXMHTSLK-UHFFFAOYSA-N 301.367 2.452 0 40 DEAB CC[C@]1(C)NN=C2C=CC3=C(NN[C@](C)(CC)c4cccn43)N21 103982834 PDUKIRLVLWWWDE-IAGOWNOFSA-N 312.421 2.262 0 40 DEAB Cc1nnc(NC(=O)CCC(=O)OCc2ccccc2)s1 8474196 VPUSNDXVWDTGPZ-UHFFFAOYSA-N 305.359 2.309 0 40 DEAB COC(=O)C1(NC(=O)CCc2ccc(F)c(F)c2)CCCC1 46196599 OLZLNWYCVCWPAW-UHFFFAOYSA-N 311.328 2.499 0 40 DEAB COc1cc(-c2ncc(/C=C/C(=O)O)cn2)cc(OC)c1OC 8731040 ZMPZBODZKRKELV-SNAWJCMRSA-N 316.313 2.267 0 40 DEAB COc1ccc(CNCC(=O)Nc2ccc3c(c2)OCO3)cc1 2655727 UDFJRFYMXHQUKK-UHFFFAOYSA-N 314.341 2.152 0 40 DEAB Cc1ccc(CN(C)C)cc1NC(=O)c1ccc2nncn2c1 96451803 FMASBDOYQHSDCC-UHFFFAOYSA-N 309.373 2.352 0 40 DEAB Cc1cc(COC(=O)CCNC(=O)Nc2ccccc2)on1 32829922 USLDZLQDTACQTB-UHFFFAOYSA-N 303.318 2.238 0 40 DEAB CC(C)c1cc(C(=O)NCCCO)c2cnn(C(C)C)c2n1 32801977 HLXNMCSZYXIHMG-UHFFFAOYSA-N 304.394 2.248 0 40 DEAB Cc1cc(C)n2nc(C(=O)NCc3ccc(C)c(F)c3)nc2n1 9484515 LLLWTLYUOJFOTM-UHFFFAOYSA-N 313.336 2.119 0 40 DEAB CCn1cc(CN(C)C(=O)c2nn(CC)cc2Cl)c(C)n1 2778492 BATRHKPPLIUXNR-UHFFFAOYSA-N 309.801 2.353 0 40 DEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1 32967772 KXPJWZWHNNFXDW-UHFFFAOYSA-N 316.423 2.275 0 40 DEAB C[C@H](NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1 2735012 LFLCBHYPUZQMEB-AWEZNQCLSA-N 317.410 2.479 0 40 DEAB C[C@H](NC(=O)COC(=O)c1cc(Cl)cn1C)c1ccco1 22003263 XVZJPWRCSAVZIN-VIFPVBQESA-N 310.737 2.306 0 40 DEAB CC(C)CO[C@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 47042363 CIRUWJVRBCBUQS-GFCCVEGCSA-N 305.378 2.216 0 40 DEAB CN(Cc1cccc(Cl)c1Cl)c1ccc2nnnn2n1 22202669 PHHQSSOGGSSRCW-UHFFFAOYSA-N 309.160 2.463 0 40 DEAB Cc1noc(C)c1CC(=O)NCCCc1nc2ccccc2[nH]1 22489994 DEXBYBZMQGZKQH-UHFFFAOYSA-N 312.373 2.459 0 40 DEAB CNC(=O)C1CCN(C(=O)CSc2ccccc2C)CC1 23180632 RCDDBTSKOCAMRE-UHFFFAOYSA-N 306.431 2.072 0 40 DEAB CC(C)N1C(=O)[C@@](O)([C@H]2COC(C)(C)CC2=O)c2ccccc21 970739 PHAVBHADAXXCAF-UGSOOPFHSA-N 317.385 2.013 0 40 DEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCOCC2)cc1 100308995 FFZYPUYWTIIDEL-KBAYOESNSA-N 314.429 2.437 0 40 DEAB O=C1[C@H]2CCCCN2C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 42754562 MTUGHZLYQWUDRI-CHWSQXEVSA-N 308.765 2.190 0 40 DEAB O=C(c1ccco1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24300022 QDLCWJLVECHPLV-UHFFFAOYSA-N 312.369 2.173 0 40 DEAB O=C(NC1CCCC1)c1ccc(C(=O)NC2CCCC2)nc1 1460923 DRCBTLPFVNPTDK-UHFFFAOYSA-N 301.390 2.426 0 40 DEAB COCC(=O)Nc1cccc(NCC(=O)Nc2ccccc2)c1 12545379 MMZHYKMUMQEJLA-UHFFFAOYSA-N 313.357 2.322 0 40 DEAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ncccn2)cc1F 58156429 NPUYXGKLEYYUFH-NSHDSACASA-N 318.352 2.083 0 40 DEAB CN1CCN(C(=S)Nc2ccc(OC(F)F)cc2)CC1 3286775 LIBYIIBEQDAGRD-UHFFFAOYSA-N 301.362 2.232 0 40 DEAB CCCc1nnc(NC(=O)NC[C@H](O)c2ccc(F)cc2)s1 44935631 HSLGEPXVQIUBIN-NSHDSACASA-N 324.381 2.485 0 40 DEAB C[C@@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)C[C@@H](C)O1 44914639 IEHIZFLOKVWMCD-ZIAGYGMSSA-N 318.421 2.001 0 40 DEAB C[C@H](OC[C@@H](O)CNC(=O)Nc1nccs1)c1ccccc1 44970421 GJFMXKJKUARBQJ-AAEUAGOBSA-N 321.402 2.403 0 40 DEAB Cc1ccc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cc1 12680300 BJFYRXWTXLMGAJ-UHFFFAOYSA-N 323.352 2.299 0 40 DEAB OCCn1nccc1C1CCN(c2ncnc3ccccc23)CC1 58424597 HYFIYJGVRWIXKU-UHFFFAOYSA-N 323.400 2.203 0 40 DEAB C[C@H](Cc1cccc(Cl)c1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 36393110 JPXSNZZNZLMIHZ-YPMHNXCESA-N 320.820 2.398 0 40 DEAB Cc1nc(CCNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cs1 48273292 WARBTCBPDAZDDM-BMIGLBTASA-N 318.398 2.339 0 40 DEAB CCCC(=O)NCC(=O)NCc1nc(-c2ccccc2)cs1 48368365 KXCVTBQEYKIMCZ-UHFFFAOYSA-N 317.414 2.343 0 40 DEAB Cc1cccc(NC(=O)CCc2c(C)nc3ncnn3c2O)c1 13718499 WXBLQLAMPWWLKY-UHFFFAOYSA-N 311.345 2.018 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(-c3ccc(OC)cc3)nc2c1 69563755 LUUYTXKEOXUNRX-UHFFFAOYSA-N 310.309 2.385 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CCNC(=O)OCC(F)(F)F 69531423 MLQGGSARFAXCHM-NXEZZACHSA-N 310.316 2.455 0 40 DEAB COc1ccc(NC(=O)CCCNC(=O)c2cccs2)cn1 17296690 BNRFWOQQBYCFFY-UHFFFAOYSA-N 319.386 2.300 0 40 DEAB CCNC(=O)NC(=O)CN(C)[C@@H](c1ccccc1)C(F)(F)F 69668118 DXGPVGYBYNGXGW-LBPRGKRZSA-N 317.311 2.068 0 40 DEAB O=C(Nc1cccc(OCCn2cccn2)c1)C1CCOCC1 65488202 GEPNFBCGCRVUGF-UHFFFAOYSA-N 315.373 2.327 0 40 DEAB CCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1C 69737047 ZFCHLTYUBSABLY-GFCCVEGCSA-N 312.373 2.272 0 40 DEAB CC(=O)O[C@@]1(c2ccccc2)C(=O)c2ccccc2N(C)C1=O 6666675 WYYJRIUYXGGHHD-SFHVURJKSA-N 309.321 2.304 0 40 DEAB OCCN1CCC(CNc2ccnc(-c3ccccc3)n2)CC1 75128556 BILQGWGDBSWIHS-UHFFFAOYSA-N 312.417 2.260 0 40 DEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 6858684 WDTQSNXGMIIUAG-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB COC(=O)CCS[C@@H](C)C(=O)Nc1ccc(Cl)cn1 7658646 UMQZQRAHSWYRLQ-QMMMGPOBSA-N 302.783 2.358 0 40 DEAB Cc1c([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cnn1C 71280137 RDYKHJYDMCQVJO-NSHDSACASA-N 315.377 2.457 0 40 DEAB CN1CCC[C@H](CNC(=O)N2CCOCC2)[C@@H]1c1cccs1 75490002 TVEFHTKJKWRLKO-UKRRQHHQSA-N 323.462 2.173 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2cccnc2)CC1 71835241 RYWPHJRBEMIQMN-JKSUJKDBSA-N 311.385 2.123 0 40 DEAB CCO[C@@H]1C[C@H]1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 71896197 NZSMPLWRFONCLD-KBRIMQKVSA-N 318.417 2.443 0 40 DEAB CC[C@@H]1CCCC[C@H]1NC(=O)NCCN1CCC(OC)CC1 89948265 MUJPOKXODISERW-GDBMZVCRSA-N 311.470 2.365 0 40 DEAB CCC[C@@H](C(=O)N1CCN(CC2CCCCC2)CC1)N(C)C 89949405 PLQHQRGYGJUPOC-KRWDZBQOSA-N 309.498 2.441 0 40 DEAB CO[C@H]1CCC[C@H](OC(=O)c2cnn(C)c2-n2cccc2)C1 75582926 BLMLLUJFWSNBEH-STQMWFEESA-N 303.362 2.325 0 40 DEAB C[C@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)CCO1 72295155 QLLSKWOOLMEUIB-ZDUSSCGKSA-N 321.446 2.492 0 40 DEAB CC(C)c1ocnc1C[S@@](=O)Cc1nsc(N(C)C)n1 97080233 YOYCTHYNENUMMU-FQEVSTJZSA-N 314.436 2.164 0 40 DEAB CC(C)OCCN1CCC(NC(=O)Nc2ccncc2F)CC1 97135822 QSIUNTJKAWBNCL-UHFFFAOYSA-N 324.400 2.232 0 40 DEAB CC(C)c1nccn1Cc1cccc(NC(=O)NOCCO)c1 97164649 ZMLYEJZVFIMMJX-UHFFFAOYSA-N 318.377 2.100 0 40 DEAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2)o1)c1nc[nH]n1 72306712 MLTWFPNRJXDVKM-NSHDSACASA-N 311.345 2.270 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)COc1ccccc1 95452001 YUWJRIIXXBTEDH-HNNXBMFYSA-N 315.373 2.005 0 40 DEAB Cc1cc([C@@H](C)NC(=O)[C@H]2CCc3nnc(C)n3C2)c(C)o1 95432736 MTRIAQHDXGAEDT-MFKMUULPSA-N 302.378 2.236 0 40 DEAB O=C(NC1(C(=O)O)CC1)c1cc(Cl)ccc1Br 95989659 RYRDLFMHFNXMLW-UHFFFAOYSA-N 318.554 2.450 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)c2cccc(-c3ncn[nH]3)c2)cc1 95981819 WAFDLPZWZIDWOX-MRXNPFEDSA-N 322.368 2.244 0 40 DEAB CN(CCOc1ccccc1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 89346380 VGHZFSOUWGMGCG-CVEARBPZSA-N 311.447 2.353 0 40 DEAB CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)/C=C/C1CC1 79843926 XYIKVYOSNXVLQO-UZYOAWRESA-N 320.414 2.106 0 40 DEAB O=C(Nc1cc(Cl)ccc1O)c1cnc2sccn2c1=O 61718740 IMDLAIBOZKTVPY-UHFFFAOYSA-N 321.745 2.367 0 40 DEAB COCCC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)O)C[C@H]1C(C)C 30882220 XZODPXGEBARMBT-KKUMJFAQSA-N 311.422 2.468 0 40 DEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2ccoc2)cc1 129332317 FLSKGZJKIYJKJR-LBPRGKRZSA-N 307.371 2.180 0 40 DEAB CC(C)N(Cc1ccccc1)CC1CCN(C(=O)CN)CC1 79415315 LBELWACVZNKLSZ-UHFFFAOYSA-N 303.450 2.094 0 40 DEAB Cc1ccccc1OCC(=O)N1CCN=Cc2cc(N)ccc21 73642414 CYRQKYXYMWZBLF-UHFFFAOYSA-N 309.369 2.422 0 40 DEAB CCn1c(C)cc(C(=O)N[C@H]2CCc3nc(C)cn3C2)c1C 72279154 BPAILDOWFPVGCH-AWEZNQCLSA-N 300.406 2.375 0 40 DEAB Cc1noc(C)c1CN(C)[C@H](C)c1nnnn1-c1ccccc1 72514123 MXIMHWFEMPRBRS-GFCCVEGCSA-N 312.377 2.460 0 40 DEAB CCCC[C@@H](COC)NC(=O)C(=O)Nc1cc(C)ccc1F 77783775 GMZVBVBCOCNIRC-LBPRGKRZSA-N 310.369 2.394 0 40 DEAB CCOC(=O)c1cnc(Nc2ccc3c(c2)CNCC3)nc1C 557310685 OEDIXIQIZRLYPC-UHFFFAOYSA-N 312.373 2.351 0 40 DEAB O=C(NC[C@H](O)C1CCCCC1)Nc1ccc2c(c1)OCO2 70636819 SWSVHTLKBQLAKB-ZDUSSCGKSA-N 306.362 2.478 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217545717 MQRZPGKRHKCGLP-UHFFFAOYSA-N 314.407 2.282 0 40 DEAB CC(=O)N1CCC[C@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 72382679 JVQNYIAIUWOTID-LBPRGKRZSA-N 318.406 2.372 0 40 DEAB CC[C@H]1CN(Cc2ccccc2)CCN1CCCS(C)(=O)=O 75917886 KXLGYWYGFRSNMR-KRWDZBQOSA-N 324.490 2.018 0 40 DEAB Cc1cc(S(=O)(=O)N2CCCC2)cc2c1N(C)C(=O)C2(C)C 71195974 UTLBVLMPSVPKBX-UHFFFAOYSA-N 322.430 2.034 0 40 DEAB CCC[C@@H](C)[C@H]1CCCN1C(=O)C(=O)Nc1cnc(CC)nc1 130493207 WAHOTDHQULECTA-TZMCWYRMSA-N 318.421 2.405 0 40 DEAB O=C(Oc1ccccc1)N1CCCN(c2nccnc2F)CC1 521398413 FXDDDCHGEHPBQQ-UHFFFAOYSA-N 316.336 2.327 0 40 DEAB C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)CN1CCOCC1 568988556 WTAXWMPQTFKWAN-GOSISDBHSA-N 320.408 2.082 0 40 DEAB CN1C(=O)c2ccccc2O[C@H]2CN(CC3CCCC3)C[C@H]21 514290116 SDQVFBVKYUPCQE-WBVHZDCISA-N 300.402 2.394 0 40 DEAB biogenic,in-vitro Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)s1 223562736 PJWXOWFFFVPYEQ-ZIAGYGMSSA-N 319.455 2.416 0 40 DEAB CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)c2cccc3cc[nH]c23)C1 83956949 KPDWMXDRMDSCQX-NEPJUHHUSA-N 307.371 2.290 0 40 DEAB O=C(OCCCn1ccccc1=O)c1n[nH]c2c1CCCCC2 195579022 DJBLLROGWUAMKN-UHFFFAOYSA-N 315.373 2.087 0 40 DEAB Cc1ncc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 82314979 VECYBRSZJHCZOZ-UHFFFAOYSA-N 316.792 2.401 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCC1(C)OCCCO1 191104018 NHDGCAOAVXYAPF-NSHDSACASA-N 313.781 2.377 0 40 DEAB CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)CC(C)(C)C)C[C@H]21 514289439 KSBOTASQSCLSRT-HIFRSBDPSA-N 316.401 2.167 0 40 DEAB biogenic,in-vitro O=C(CN1CCC[C@H]1CCCO)NC1(c2ccccc2)CCC1 96424252 FBOKSFODYIRDMA-KRWDZBQOSA-N 316.445 2.419 0 40 DEAB CCCS(=O)(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 96419806 BGSDWYWNHCHUEE-SNVBAGLBSA-N 312.218 2.356 0 40 DEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NOC(C)(C)C 96486733 HJSJTUOPJDXBEV-UHFFFAOYSA-N 307.316 2.451 0 40 DEAB CO[C@H]1CCCN(CC2(CN3CCOCC3)CCCCC2)C1 91772553 YXRSDWPSKPASAN-KRWDZBQOSA-N 310.482 2.380 0 40 DEAB CN(C)CCCNC(=O)c1cc2c(c3ccccc3n2C)n1C 96037258 UTMDNGDLZKUADE-UHFFFAOYSA-N 312.417 2.352 0 40 DEAB Cc1noc(C)c1CN1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161478 FUUPFFKGDUQVMQ-CALCHBBNSA-N 312.417 2.250 0 40 DEAB COc1cccc2c(N3CCS(=O)(=O)C[C@@H](C)C3)nccc12 333755089 YJVHNAPGPMMJGR-LBPRGKRZSA-N 320.414 2.114 0 40 DEAB N[C@H](C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccccc1 95466793 IVXCZCZTIFLMJS-SJORKVTESA-N 314.385 2.487 0 40 DEAB CCN(C[C@H]1CCN(C(=O)c2ccncc2)C1)CC(F)(F)F 96448341 NYKIOFGTGJJTCZ-GFCCVEGCSA-N 315.339 2.428 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCC(F)(F)F)C1 96436009 JWKVBQMMNWFJHK-RKDXNWHRSA-N 310.316 2.358 0 40 DEAB Cc1ccc(CN2CCO[C@]3(COCCN(C(C)C)C3)C2)s1 96049728 XTYWIGMFEASCIO-QGZVFWFLSA-N 324.490 2.368 0 40 DEAB Cc1cnn(CCC(=O)NCCNc2ccc3ccccc3n2)c1 96436754 BMDJHKGKKNWLDV-UHFFFAOYSA-N 323.400 2.358 0 40 DEAB Cc1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N(C)C(C)C)C2)no1 96040591 VEJKPFJMANSKGE-UAGQMJEPSA-N 307.438 2.303 0 40 DEAB CC(=O)c1cccc(OCC(=O)Nc2cccc(C(N)=O)c2)c1 97658262 BKOCWIYWLVCSAV-UHFFFAOYSA-N 312.325 2.006 0 40 DEAB CCCCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96418177 VITGHVSPWDBWFH-UHFFFAOYSA-N 305.346 2.142 0 40 DEAB Cc1occc1C(=O)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96038523 AFZOOEWTNSMXHW-GASCZTMLSA-N 311.385 2.187 0 40 DEAB Cc1ncc(C(=O)NCc2ccccc2)c(CC2CCNCC2)n1 257331111 XRJZDJSWRFKCKA-UHFFFAOYSA-N 324.428 2.257 0 40 DEAB CCc1nc(C)c(CN2CCC3(CC2)OCCC[C@@H]3OC)[nH]1 257222415 DTEYPLCUOFCMCJ-HNNXBMFYSA-N 307.438 2.441 0 40 DEAB Cc1cncc([C@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257343758 ZUGYALWEXBGYOW-CQSZACIVSA-N 302.403 2.456 0 40 DEAB Cc1cccnc1Nc1nccc(C2CN(c3cnccn3)C2)n1 257218646 DDYSDOBAOPCJTQ-UHFFFAOYSA-N 319.372 2.317 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)C1 257327050 WZRRQQREAONGJK-CYBMUJFWSA-N 313.357 2.119 0 40 DEAB Cc1cc(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)c(C)o1 390829573 ZVEZBMRAUXOOGT-LBPRGKRZSA-N 305.309 2.119 0 40 DEAB COc1ccc2c(c1)N(C(=O)c1nnn(C)c1C)CCCC2 576324897 VEJHCMVWFXZKIZ-UHFFFAOYSA-N 300.362 2.115 0 40 DEAB CO[C@@H]1CN(C(=O)c2ccn(C)n2)CC[C@@H]1Cc1ccccc1 585278831 HGQKATFYKNJFCL-NVXWUHKLSA-N 313.401 2.140 0 40 DEAB CC(C)[C@@H](CNc1ncnc2ccccc12)N1CCN(C)CC1 44406525 CDWDQDMWNBWORC-QGZVFWFLSA-N 313.449 2.314 0 40 DEAB COCCOc1ccc(CNC(=O)NCc2cccs2)cn1 47686851 MAGGLIIFATVZKL-UHFFFAOYSA-N 321.402 2.168 0 40 DEAB O=C(CCC1CCCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436733 OBVQPFDTCKKYEN-MRXNPFEDSA-N 320.433 2.428 0 40 DEAB O=C(CNC(=O)c1cc(F)cc2cccnc12)Nc1ccccn1 95981821 PHOFZAMJXMASPA-UHFFFAOYSA-N 324.315 2.137 0 40 DEAB Cc1ccnc(N2CCN(Cc3ccc(F)c(F)c3)CC2)n1 1204227182 ZVPBVAJEDGXDJE-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@H](c2ccccc2C(F)(F)F)N1 5819136 JQRZYQCMCRYNFV-MNOVXSKESA-N 311.263 2.117 0 40 DEAB O=C(NCc1nc(-c2cccnc2)n[nH]1)Nc1cccc(F)c1 13565304 KZSVWYFVEHCFDF-UHFFFAOYSA-N 312.308 2.328 0 40 DEAB CSc1ccc(CCC(=O)N2CC[C@@H](n3ccnn3)C2)cc1 206928584 VLQYCMZUUVZFNM-CQSZACIVSA-N 316.430 2.406 0 40 DEAB O=C(CSCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 253403036 PGZNPSMMZWPWLZ-PMPSAXMXSA-N 321.442 2.373 0 40 DEAB O=C(NC1CN(c2ccccn2)C1)C1(c2ccc(F)cc2)CC1 1888856772 LNMVOLBHCOOSHC-UHFFFAOYSA-N 311.360 2.257 0 40 DEAB Cc1cc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)c(C)o1 38679355 ILEJHGLPJRBHFP-UHFFFAOYSA-N 317.389 2.459 0 40 DEAB O=S(=O)(NC[C@@H]1CCCO1)c1c(Cl)cccc1Cl 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CC1=NN(c2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc2)CC1 57554280 DSWROGUOGAEZNL-HNNXBMFYSA-N 312.417 2.239 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)Nc1cccc(COCC2CC2)c1 58182938 AZVSSWOMBVETCH-GFCCVEGCSA-N 319.405 2.259 0 40 DEAB CN(CCNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 10100194 BPURPQFFKATSQG-UHFFFAOYSA-N 321.384 2.134 0 40 DEAB Cc1c([C@@H](C)NC(=O)c2ccc(O)nn2)cnn1-c1ccccc1 58264179 BLRRHUKAMIWFIE-LLVKDONJSA-N 323.356 2.167 0 40 DEAB CCOC(=O)C1(NC(=O)[C@@H]2Cc3ccccc3O2)CCCCC1 58264702 BAMDPYIIOVFEBM-HNNXBMFYSA-N 317.385 2.372 0 40 DEAB CC[C@@H](C)NC(=O)CCNC(=O)CCn1ccc2ccccc21 58222834 ZQOZOLUPKXCZBC-CQSZACIVSA-N 315.417 2.452 0 40 DEAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2cnn(C)c2)c1 47711383 DPWJYGYZROIFBZ-UHFFFAOYSA-N 317.349 2.262 0 40 DEAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(O)=Nc2nncn21 44919879 SPTOLLOSKQDUBO-VIFPVBQESA-N 309.688 2.242 0 40 DEAB Cc1nc(NC(=O)NCc2ccc(S(C)(=O)=O)cc2)oc1C 47938973 NYLFUKKVUBQGGK-UHFFFAOYSA-N 323.374 2.017 0 40 DEAB CCCCN(CCOC)C(=O)c1csc(-c2cnn(C)c2)n1 68140148 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305.378 2.040 0 40 DEAB CO[C@@H]1CCC[C@H]1OC(=O)c1ccc(N2CCOC2=O)cc1 78985659 XLDWCGRGNWXXPB-ZIAGYGMSSA-N 305.330 2.368 0 40 DEAB CC[C@H](Nc1cnn(-c2ccccc2Br)c1)C(N)=O 126531821 GYOFWRUXQOZWBF-NSHDSACASA-N 323.194 2.311 0 40 DEAB Cc1ccccc1CN1CCn2c(nnc2[C@@H]2CCCCN2)C1 72374064 DVZJURAHOFMVKD-INIZCTEOSA-N 311.433 2.417 0 40 DEAB CCCNC(=O)c1ccc(NCCCn2cc(C)cn2)nc1 79031055 JIPLSHZZWYGHPL-UHFFFAOYSA-N 301.394 2.229 0 40 DEAB O=C(NCc1cccc(CN2CCOCC2)c1)c1ccco1 47276227 FJMQRSBMNQJFRQ-UHFFFAOYSA-N 300.358 2.042 0 40 DEAB CCOC[C@H]1CCN(C(=O)Nc2cnn(-c3ccccn3)c2)C1 81633845 WLQQECWUSDNYPT-ZDUSSCGKSA-N 315.377 2.158 0 40 DEAB CSc1ccc(-c2ccc(=O)n(CC(=O)NC(C)C)n2)cc1 49548003 TZUKKLRPXQGTFB-UHFFFAOYSA-N 317.414 2.157 0 40 DEAB O=C(Cc1cccs1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 49026598 NJMDEGSGOOFYQM-OLZOCXBDSA-N 314.410 2.098 0 40 DEAB COc1cccc(-c2noc(CNC(=O)c3cccnc3)n2)c1 41153545 JMCYEWQFDPBLDF-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB COc1cccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1OC 46882614 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40 DEAB CNc1cc([C@@H]2CCCN2C(=O)c2ocnc2C)nc(C)n1 257218717 DEFAUCNSLRVHLP-LBPRGKRZSA-N 301.350 2.100 0 40 DEAB O=C(CC1(O)CCCCC1)N1CCNC[C@H]1c1ccccc1 257227184 FOAYOWBRVXRNIR-INIZCTEOSA-N 302.418 2.245 0 40 DEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CCC2CCCC2)n1 257301881 SAJPMTLGGDTMGA-HNNXBMFYSA-N 319.405 2.361 0 40 DEAB Cc1cc(C(=O)NCc2nccnc2-c2cccs2)n(C)n1 575606069 JTZKJQSQMREPMG-UHFFFAOYSA-N 313.386 2.177 0 40 DEAB CCOCC[C@H]1CCOC2(C1)CN(C(=O)c1cccc(O)c1)C2 575403375 IUCBXKKHXWMGHI-AWEZNQCLSA-N 319.401 2.440 0 40 DEAB Fc1cc(CN2CCN(c3ncccn3)CC2)c2ncccc2c1 43782961 VBIQAPKIOALXJP-UHFFFAOYSA-N 323.375 2.486 0 40 DEAB COc1ccccc1CNC(=O)N(CCO)Cc1ccsc1 52121735 KDSJSRJDOXFPOX-UHFFFAOYSA-N 320.414 2.461 0 40 DEAB COc1c(C)cnc(CN(C)C(=O)[C@@H](C)OCC2CC2)c1C 58363748 FGPNLWMDHAYEEE-CYBMUJFWSA-N 306.406 2.481 0 40 DEAB CS(=O)(=O)c1ccc([S@@](=O)CCc2ccccc2)cc1 95964727 AOIGZANDGHINTM-LJQANCHMSA-N 308.424 2.440 0 40 DEAB CCOC(=O)c1ncn2c(Cl)ncc(Br)c12 1857793103 JWLGPRLARQSEKA-UHFFFAOYSA-N 304.531 2.322 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 13435188 NHKSEAOMGPOSAD-AWEZNQCLSA-N 301.273 2.318 0 40 DEAB COC(=O)CC1CCN(Cc2cc(OC)ccc2OC)CC1 15423817 CNKVLCSQUZIQPQ-UHFFFAOYSA-N 307.390 2.479 0 40 DEAB Cc1nonc1CN(C)Cc1cnn(-c2ccc(F)cc2)c1 19656798 DCBILKQYLGQOQB-UHFFFAOYSA-N 301.325 2.335 0 40 DEAB Cc1nnc(S/C(=C\c2ccccc2OCC#N)C(=O)O)[nH]1 8272350 RUDVTIXQYJKTCQ-WQLSENKSSA-N 316.342 2.233 0 40 DEAB COc1ccc(N2C[C@H](CNC(=O)C(C)(C)C)CC2=O)cc1 8925164 BNFOIGPEJUZSGL-LBPRGKRZSA-N 304.390 2.210 0 40 DEAB Cc1nc2cc(CNC(=O)[C@](C)(O)C3CC3)ccc2n1C1CC1 576171385 MJSCWXXHTJLKIJ-GOSISDBHSA-N 313.401 2.457 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)/C=C/c1ccc(OC)cc1 2626462 GXWLANNIMFRSEO-MRZGDXHCSA-N 323.414 2.119 0 40 DEAB O=C(c1cccs1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1075509232 RVQIRZFLDODAPX-LSDHHAIUSA-N 313.426 2.490 0 40 DEAB CS(=O)(=O)c1ccc(N2CC(COc3cccnc3)C2)cc1 2298060334 QFTAGNALXVPSNO-UHFFFAOYSA-N 318.398 2.000 0 40 DEAB CN(C)CCN(C)Cc1c(C2CCNCC2)[nH]c2ncccc12 72394682 QKPNLIFNAKAXGC-UHFFFAOYSA-N 315.465 2.023 0 40 DEAB Nc1[nH]n(-c2ccccc2)c(=O)c1[C@@H](O)c1ccc(Cl)cc1 102411288 DZOTWVLWVFPSIY-AWEZNQCLSA-N 315.760 2.483 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NC[C@@H](C)N(C)c1ccccc1 40105117 RUWDBQYKGMFNIB-LLVKDONJSA-N 323.418 2.095 0 40 DEAB COc1ccc(CNCC[C@@]2(O)C[C@H](C)N(C)C[C@H]2C)cc1 4785351 YPTJQGIRFIIISJ-RVKKMQEKSA-N 306.450 2.266 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCc1ccc(Cl)cc1 4968826 YSLDARDIZXDVPD-UHFFFAOYSA-N 300.767 2.423 0 40 DEAB CC[C@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 387245 FOYLGCGATQLGQW-NSHDSACASA-N 312.373 2.023 0 40 DEAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 100619791 VNRZMUSBXJXIPM-YFKTTZPYSA-N 311.696 2.072 0 40 DEAB COc1c2c(cc3c1[C@H](Cc1cc(C)on1)N(C)CC3)OCO2 488931 FXHAALPDVFGBNW-ZDUSSCGKSA-N 316.357 2.492 0 40 DEAB biogenic CCN1CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)CC1 22846399 FLNZFTMBMOUIAP-GOSISDBHSA-N 321.440 2.277 0 40 DEAB O=C(COC(=O)c1cccnc1)Nc1ccc(F)c(F)c1F 807502 OYQMGKSEZCNHFN-UHFFFAOYSA-N 310.231 2.294 0 40 DEAB Cc1cc(CN(C)C(=O)CCc2nc(-c3ccco3)no2)no1 25138702 HGMHGJVWLQUICY-UHFFFAOYSA-N 316.317 2.217 0 40 DEAB O=C(NC[C@H]1COCCO1)Nc1cccc(-c2nccs2)c1 56776455 CKTHQBCQPCQLPR-ZDUSSCGKSA-N 319.386 2.347 0 40 DEAB Cn1cnc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1Cl 35221418 GJFZHWPKOLQRTF-WDEREUQCSA-N 317.842 2.274 0 40 DEAB CCN1CCC[C@@H]1CN[C@@H](C)CC(=O)Nc1ccccc1OC 35392726 DSJSNJOHAOUPTL-LSDHHAIUSA-N 319.449 2.486 0 40 DEAB Cc1cccc(NC(=O)CSc2nc(O)c3nc[nH]c3n2)c1 10003334 GPGHXJJCVDNDOF-UHFFFAOYSA-N 315.358 2.098 0 40 DEAB COC(=O)c1ccc(C(=O)NCCn2cnc3ccccc32)cc1 58191210 MWTPVVCONAVMJG-UHFFFAOYSA-N 323.352 2.253 0 40 DEAB Cn1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)n1 44872967 NSDJLHAYBZWRDN-UHFFFAOYSA-N 323.278 2.427 0 40 DEAB O=C(CSc1nncn1-c1ccccc1)NCc1ccco1 3337702 DTNDLAHAZCDZRV-UHFFFAOYSA-N 314.370 2.269 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 306123109 AELFOZBBQNUOFG-AWEZNQCLSA-N 304.390 2.268 0 40 DEAB CC(=O)N(CCCNC(=O)COc1cccc(C)c1)C(C)C 48311727 YLPMTUYBZOPNJE-UHFFFAOYSA-N 306.406 2.137 0 40 DEAB Fc1ccc(-n2nc(CN3CCOCC3)c3c2CCC3)cc1 68879271 BJYNGZZOXZSPHW-UHFFFAOYSA-N 301.365 2.332 0 40 DEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCc1ccccc1 13100830 NIXHTUDUMQRUHY-HUUCEWRRSA-N 313.353 2.071 0 40 DEAB Cc1cccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)c1 13340318 BRPRUWSJSTVPNI-UHFFFAOYSA-N 305.355 2.172 0 40 DEAB COc1ccc(OC)c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 8219118 BTKOCFFTZNIFOF-LLVKDONJSA-N 320.389 2.289 0 40 DEAB CC(=O)Nc1ccc(C(=O)COC(=O)c2c(C)noc2C)cc1 5196897 WGTLRXFXKSWVQQ-UHFFFAOYSA-N 316.313 2.290 0 40 DEAB O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CCCN(C(=O)C2CC2)C1 65625262 NWHXVZAZNHNMID-LBPRGKRZSA-N 312.373 2.150 0 40 DEAB CC1CCN(C(=O)[C@@H](C)Nc2ccc3oc(=O)[nH]c3c2)CC1 69536305 LMUAFNASKXTDIP-LLVKDONJSA-N 303.362 2.180 0 40 DEAB CC(=O)Oc1c(Cl)cc(N2C(=O)C=CC2=O)cc1Cl 4698638 QTCQMAIBZRPITC-UHFFFAOYSA-N 300.097 2.348 0 40 DEAB C[C@@H]1CN(c2ncnc3ccccc23)CCN1Cc1nccn1C 69534752 CKXDFVSZWWQJHM-CQSZACIVSA-N 322.416 2.074 0 40 DEAB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NCc1cccs1 69567141 GMERUUFZSBOXOM-SECBINFHSA-N 317.370 2.299 0 40 DEAB CN(C)[C@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1 69706784 BYCYVZSPWNBQQY-IRXDYDNUSA-N 312.417 2.350 0 40 DEAB CC(C)(C)CC(=O)NS(=O)(=O)c1cccc2ncccc12 69848915 WJCKVTAWTNITAX-UHFFFAOYSA-N 306.387 2.476 0 40 DEAB O[C@H](CN1CCC[C@H](Cn2cncn2)C1)c1cc(F)ccc1F 69846496 MHTKHHOMAYTMLY-BLLLJJGKSA-N 322.359 2.002 0 40 DEAB O=C(Nc1ccc2c(c1)C(=O)OC2)c1ccc(-n2cnnc2)cc1 18200831 RWLPEMHDFMVKCS-UHFFFAOYSA-N 320.308 2.190 0 40 DEAB O=C(O)c1ccc(CCNC(=O)c2ccc(Cl)cn2)cc1 83755506 QTFXKMMUSSJYPC-UHFFFAOYSA-N 304.733 2.406 0 40 DEAB O=C(c1c[nH]c(-c2nnc3n2CCC3)c1)c1cc(F)ccc1O 9458517 SBWYBSIRLXIBKC-UHFFFAOYSA-N 312.304 2.295 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 94595473 WXLIBMKCJPRTQF-ZETCQYMHSA-N 305.227 2.391 0 40 DEAB Cc1oc(C)c(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1C 25250083 NDLBWWMDMNULMW-UHFFFAOYSA-N 322.386 2.246 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(CCc2ccccn2)[C@@H]1c1ccsc1 72275697 BXTNSAYFBJLBHM-UKRRQHHQSA-N 316.382 2.360 0 40 DEAB NC1CCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 97019371 ASLBZDASNQTRDC-UHFFFAOYSA-N 312.373 2.177 0 40 DEAB Cn1cc([C@H]2OCC[C@@H]2CNCc2c[nH]nc2C(C)(C)C)cn1 84241062 LUCQWUSFOBWZJY-DOMZBBRYSA-N 317.437 2.308 0 40 DEAB OCCn1ncc2c(N3CCC[C@H]3Cc3ccccc3)ncnc21 97199778 FFOYBMNHKFUJBV-HNNXBMFYSA-N 323.400 2.030 0 40 DEAB C[C@@H](CCO)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 84637391 PSWSJQKOYPLRHZ-LBPRGKRZSA-N 322.405 2.212 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCCC[C@@H]1Cn1ccnn1 95456739 WNRLJKMVAPMUPC-OAHLLOKOSA-N 302.353 2.041 0 40 DEAB CC(C)(C)[C@@H](CCO)NS(=O)(=O)c1ccc(F)c(F)c1 95432878 NCHGMVNVYRROJY-GFCCVEGCSA-N 307.362 2.040 0 40 DEAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)N1CCC2(C1)OCCO2 78952825 LKEXXPBSFYRGNS-HNNXBMFYSA-N 320.364 2.435 0 40 DEAB COC[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2F)CCO1 78936391 RJOIMJCJEMFGCP-JTQLQIEISA-N 302.733 2.358 0 40 DEAB O=C(CSc1ccccc1)N1CC[C@](O)(C(F)(F)F)C1 98013045 ZKCOHKGVMINSSR-GFCCVEGCSA-N 305.321 2.304 0 40 DEAB O=C(CN1CC[C@H](Oc2cccnc2)C1)NCC1CCCCC1 79111182 LHWVQUHGMCCKFX-KRWDZBQOSA-N 317.433 2.231 0 40 DEAB O=C([C@H]1OCCc2ccccc21)N1CCCC[C@@H]1c1nc[nH]n1 95989308 OLPDARSYLSPXMU-CABCVRRESA-N 312.373 2.172 0 40 DEAB O=C(c1cccc(-n2cccc2)c1)N1CCOC[C@@H]1c1ncon1 95981343 ZRQACXUPDYQMRV-OAHLLOKOSA-N 324.340 2.074 0 40 DEAB Cc1nc(Cc2ccccc2)sc1C(=O)N1CCN(C)CC1 31864471 XFTBHHPXDYQQRS-UHFFFAOYSA-N 315.442 2.430 0 40 DEAB Cc1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc1 73117181 UCMQDXVBZRDDFJ-ZDUSSCGKSA-N 303.431 2.244 0 40 DEAB O=C(Nc1cccc(-n2cnnn2)c1)c1cccc2[nH]ccc12 36359368 VESJKURMALDMQU-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB Cc1nc(Nc2ccc3c(c2)OCCO3)c2c(n1)c(C)nn2C 32650409 SUKMSRWTZHZRNO-UHFFFAOYSA-N 311.345 2.495 0 40 DEAB CN(CC(F)(F)F)C(=O)CN1CCOC[C@H]1c1ccccc1 72895438 OWVNMOXPHUFDAL-ZDUSSCGKSA-N 316.323 2.081 0 40 DEAB CN(Cc1nccn1C)C(=O)[C@@H]1SCCc2ccccc21 79994142 BHQYDIGBKMEIOX-OAHLLOKOSA-N 301.415 2.409 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)N[C@H]1CCC[C@H](C)CC1 188188440 VKSNVEYSMYVAKR-AVGNSLFASA-N 304.456 2.078 0 40 DEAB OCCNc1nc(NCCC2=CCCCC2)nc2nccnc12 32095490 OQWWEWDHSSMTBW-UHFFFAOYSA-N 314.393 2.126 0 40 DEAB CCOc1cc(N[C@H]2CCN(C(=O)OC(C)(C)C)C2)ncn1 79439087 WLTVDSYFDQNMGF-NSHDSACASA-N 308.382 2.297 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)nc(N2CCCCC2)n1 72239833 PZRQOZYSWPHQFZ-OKILXGFUSA-N 318.421 2.025 0 40 DEAB NC[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 218627237 BCMYXZPPJCITDG-HRCADAONSA-N 305.374 2.340 0 40 DEAB COCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccccc1 79101863 SJTSUSHOLRNMCO-CVEARBPZSA-N 305.422 2.015 0 40 DEAB CC(C)N1CC[C@H](CNCc2cnnn2Cc2ccccc2)C1 569064651 JFAXHOPHMHAQKK-QGZVFWFLSA-N 313.449 2.146 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2nc(C3CC3)ns2)CC1 80766610 ZOHVLPQUDCXOKO-UHFFFAOYSA-N 310.423 2.473 0 40 DEAB COc1cc(=O)n(C)cc1C(=O)Nc1ccc(F)c(Cl)c1 225649098 OGMRDKWRJVHBGW-UHFFFAOYSA-N 310.712 2.439 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Cc1c(C)noc1C 88269763 QHQYFSFMFMDDGK-JSGCOSHPSA-N 308.378 2.072 0 40 DEAB COCCc1nsc(Sc2nnc(-c3ccco3)n2C)n1 225543738 VREQQSMJFJFIAT-UHFFFAOYSA-N 323.403 2.267 0 40 DEAB CO[C@@H](C)CNC(=O)NCc1ccc(Br)cc1 190523142 QNXOWXYLFVTPPR-VIFPVBQESA-N 301.184 2.283 0 40 DEAB CN(C)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 44840870 PNTQSCMYFQHMQH-UHFFFAOYSA-N 320.414 2.319 0 40 DEAB CC1CCN(C(=O)Cn2ccc(=O)c3cc(F)ccc32)CC1 225751682 KPQVLXBFISYDMG-UHFFFAOYSA-N 302.349 2.399 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnoc3C)C2)C1 96073410 KXXMBJIGGOTUHM-BBRMVZONSA-N 308.378 2.031 0 40 DEAB CC(C)C[C@H](CN)NS(=O)(=O)Cc1ccccc1Cl 95432086 BDCNUIRGAFFWIX-GFCCVEGCSA-N 304.843 2.133 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@H](Nc4cccnc4)CO3)C2)nc1 96218946 XGCQOACBAPQXMN-ROUUACIJSA-N 310.401 2.322 0 40 DEAB COCCS(=O)(=O)N(C1CC1)[C@@H](C)c1ccccc1F 96427802 JNLFALAOMZDFBG-NSHDSACASA-N 301.383 2.327 0 40 DEAB COC[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2ccnn2C1 96188902 OYXMUXPJEMGNOD-CYBMUJFWSA-N 303.362 2.012 0 40 DEAB CN(C[C@@H]1CCCO1)C1CCN(CCc2ccccn2)CC1 95408730 QMROSXJOEXAYAM-SFHVURJKSA-N 303.450 2.199 0 40 DEAB O=C(NC1CCCC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 96041246 YFNZTHGMCAPOAF-USXIJHARSA-N 318.417 2.318 0 40 DEAB CCc1ccc([C@@H](COC)NC(=O)c2cc(C)nn2CC)o1 96423279 INMYCBWWVQFTBA-CYBMUJFWSA-N 305.378 2.484 0 40 DEAB CC(=O)N1CCC(Cc2cc(Nc3cc(C)n[nH]3)ncn2)CC1 257321399 WBMMIZPCNJVZIJ-UHFFFAOYSA-N 314.393 2.053 0 40 DEAB CC(C)C(=O)N1CCC[C@@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257275049 NNSIEFINCQODFW-ZDUSSCGKSA-N 313.405 2.304 0 40 DEAB CN1C(=O)CCCc2cc(S(=O)(=O)N3CCCCC3)ccc21 252500066 SMROEGMGVQHRSD-UHFFFAOYSA-N 322.430 2.160 0 40 DEAB Cc1nc(CC(=O)N2CCNC[C@H]2c2ccccc2)cs1 257325592 WTQOKYDWVOBLLH-HNNXBMFYSA-N 301.415 2.167 0 40 DEAB Cc1ccc(N(C)[C@H]2COC3(CCN(CCO)CC3)C2)cc1 257276521 NUCGMPLUTGPLFM-QGZVFWFLSA-N 304.434 2.047 0 40 DEAB COc1ccc(OCCN(C)C(=O)[C@H]2NCCCC2(C)C)cc1 261931192 SUUSEGZUBHHVQJ-MRXNPFEDSA-N 320.433 2.311 0 40 DEAB CO[C@@]1(CNC(=O)Nc2ccc3c(c2)OCO3)CCSC1 96097774 DXEZVHUEUDFBNB-CQSZACIVSA-N 310.375 2.059 0 40 DEAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCC12CCOCC2 585409997 YBOLIPKTUSONGG-HNNXBMFYSA-N 303.358 2.033 0 40 DEAB O=C(NCCc1ccc(F)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 42382755 AWZRDIHHBBWZHE-HNNXBMFYSA-N 318.392 2.133 0 40 DEAB O=C(NC[C@@H](O)c1ccsc1)c1cc2ccccc2c(=O)[nH]1 89873015 CRBPWLGRHLLPKC-CQSZACIVSA-N 314.366 2.053 0 40 DEAB CSCC[C@@H]1NC(=O)N(Cc2nc(C(C)C)cs2)C1=O 95992611 BOYBYAXTKSXGCZ-VIFPVBQESA-N 313.448 2.440 0 40 DEAB O=C1CN(C(=O)CCc2ccc3[nH]ccc3c2)c2ccncc2N1 95986882 LCKKBKLUNWTLPS-UHFFFAOYSA-N 320.352 2.481 0 40 DEAB O=C(c1c[nH]nc1-c1ccoc1)N1CCC(c2nnco2)CC1 570973497 CTVMFBWHLYJQTK-UHFFFAOYSA-N 313.317 2.073 0 40 DEAB CC(C)(O)[C@@H]1CCCN1C(=O)c1cc(Br)c[nH]1 95979562 DGAAZZCTSDGCFV-JTQLQIEISA-N 301.184 2.153 0 40 DEAB COc1ccc(C)cc1CC(=O)N(C)CCN1CCCCC1 12360944 RGELMRLLNYRDBR-UHFFFAOYSA-N 304.434 2.490 0 40 DEAB O=C(c1cccnc1)C1CCN(C(=O)Cc2cccc(O)c2)CC1 13566077 UNEWVAWPLFYZIM-UHFFFAOYSA-N 324.380 2.451 0 40 DEAB CC(=O)NCC[C@H]1CCCCN1Cc1nc2ccccc2[nH]1 19749016 DGRAFYMUZPRVKX-CQSZACIVSA-N 300.406 2.444 0 40 DEAB Cc1ccc(CSc2nnc(CN3CCOCC3)n2C)cc1 19798870 MHJMCMNYDYEIJJ-UHFFFAOYSA-N 318.446 2.248 0 40 DEAB Cc1noc(CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)n1 153327678 DFNKWTZCCQUSKI-BETUJISGSA-N 322.409 2.352 0 40 DEAB C[C@H](Nc1cnn(C)c1)[C@H]1CN(Cc2ccccc2)CCO1 157321753 XBMNUIDUROFWIG-WMLDXEAASA-N 300.406 2.122 0 40 DEAB CCCS(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 9173132 FPZZJJSSIFGXFX-UHFFFAOYSA-N 312.391 2.195 0 40 DEAB O=C(C[C@H]1CSc2nccc(=O)n21)NC1CCCCCC1 14031030 ILDCVKCDXIHYCM-LBPRGKRZSA-N 307.419 2.119 0 40 DEAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(N)cc(N)n1 422377 XHHJOTHHZCUXSG-JTQLQIEISA-N 317.418 2.377 0 40 DEAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1 6609889 KKWAPKMEZMAWDR-LLVKDONJSA-N 319.357 2.410 0 40 DEAB Cc1cc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)ncn1 1889095513 QPFKRLZMDOFBIR-UHFFFAOYSA-N 324.375 2.259 0 40 DEAB CC1(C)NC(=O)N(CCN2CCC[C@H]2Cc2ccccc2)C1=O 26915532 GIEJREQWCITHHD-HNNXBMFYSA-N 315.417 2.024 0 40 DEAB Cc1ncnc(C(=O)N2CCC3(CCCCN3C)CC2)c1C 1565542978 RPPNZNXQGKHAJW-UHFFFAOYSA-N 302.422 2.184 0 40 DEAB CCOC(=O)C[C@H](C(=O)OCC)P(=O)(OCC)OCC 5574928 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DEAB CCn1cc(NC(=S)N[C@H]2CCC[C@@H](C)[C@@H]2C)c(C(N)=O)n1 6961599 FNNRRGSJWQEKJA-VWYCJHECSA-N 323.466 2.113 0 40 DEAB Cc1cc(=O)[nH]c(SCc2nnc(-c3ccccc3)o2)n1 8673137 MYBGWWWYXWOUFL-UHFFFAOYSA-N 300.343 2.421 0 40 DEAB CCN(CC)C1=NC(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S1 8985142 FWRJJVNAEJVJJM-LBPRGKRZSA-N 323.393 2.494 0 40 DEAB CCOc1cccc(CNS(=O)(=O)c2c(C)noc2C)c1 56071310 ARMLDWQRSFLBJN-UHFFFAOYSA-N 310.375 2.169 0 40 DEAB O=C(O)[C@@H](NC[C@H]1CCCO1)c1cc(Br)cs1 41678021 IJZVBCVKIOLBRT-SCZZXKLOSA-N 320.208 2.405 0 40 DEAB in-vitro CCCn1nc(C(=O)N[C@@H]2CCCc3ccccc32)ccc1=O 22920925 HFNLOYRWSQKGEW-OAHLLOKOSA-N 311.385 2.461 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 110589819 XHDLMIHBMSHMHW-XUXIUFHCSA-N 301.452 2.094 0 40 DEAB Cn1c(CN2CCC(Nc3cccnn3)CC2)nc2ccccc21 105805975 LTYUXLFYRSFFRK-UHFFFAOYSA-N 322.416 2.440 0 40 DEAB O=C(COc1ccc(Br)cc1F)Nc1cn[nH]c1 35237407 WJQHXZXIWGWEGE-UHFFFAOYSA-N 314.114 2.329 0 40 DEAB CCCCc1nnc(NC(=O)CN(C)Cc2cc(C)on2)s1 89954893 JQMLEBBODJOVNH-UHFFFAOYSA-N 323.422 2.248 0 40 DEAB CN(C)c1cc(C(F)(F)F)nc(N[C@@H]2C[C@H]3CC[C@H]2O3)n1 108104825 MHHSNGFDVNPHGS-IWSPIJDZSA-N 302.300 2.293 0 40 DEAB Cc1cccc(CCNC(=O)[C@@H]2CCCN(c3ncccn3)C2)c1 58185664 BFTFTKVQKFTVHN-QGZVFWFLSA-N 324.428 2.360 0 40 DEAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccn1 44889623 FECKFNAZHOREGO-AWEZNQCLSA-N 313.357 2.063 0 40 DEAB CS(=O)(=O)c1ncc(-c2ccc(Br)cc2)cn1 3133981 UHPHXPSNZMFXOX-UHFFFAOYSA-N 313.176 2.310 0 40 DEAB O=C(Nc1ccc(N2CCCCC2)nc1)N1CCC(O)CC1 44951633 JRXIWHBYLLMERA-UHFFFAOYSA-N 304.394 2.061 0 40 DEAB COCCCn1c(N)c(C(=O)N2CCCC2)sc1=S 3289786 USVPTFHGSVKBLZ-UHFFFAOYSA-N 301.437 2.134 0 40 DEAB CCOc1ccc(OCC(=O)NCc2ccnc(OC)c2)cc1 48276659 JKDARNJLXZFQLM-UHFFFAOYSA-N 316.357 2.184 0 40 DEAB COC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 48383549 FDXXLDBOZDLWIV-STQMWFEESA-N 318.329 2.470 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)NC1CCCCC1 12996143 HEKROQYPAWBFBM-GFCCVEGCSA-N 321.373 2.251 0 40 DEAB C[C@H](SCC(=O)N1CCNC1=O)c1c(F)cccc1F 49065126 CXEJFWAJFKGSJG-QMMMGPOBSA-N 300.330 2.311 0 40 DEAB Cc1ccc2nc(CSc3nnc(C4CC4)n3N)cn2c1 8460322 HLKSUQAATCBWLL-UHFFFAOYSA-N 300.391 2.118 0 40 DEAB C[C@@H](c1cccc(F)c1)N1CCN(Cc2nccn2C)CC1 69508895 XZNADMYKMDLHOI-AWEZNQCLSA-N 302.397 2.438 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 8736165 OTOYQMCHEHQTBX-HNNXBMFYSA-N 315.373 2.377 0 40 DEAB CC(C)c1n[nH]c(SCc2nc3ccccc3c(=O)[nH]2)n1 14141317 VAFYROBHHSWFIN-UHFFFAOYSA-N 301.375 2.457 0 40 DEAB O=C1NC[C@H]2CN(Cc3cnc(-c4cccs4)s3)CCN12 91865002 NIYLEHNAGKLJHF-JTQLQIEISA-N 320.443 2.081 0 40 DEAB CC(C)CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 6609036 FVGVQJZNKUGWIK-UHFFFAOYSA-N 324.446 2.247 0 40 DEAB CC(C)Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)[nH]n1 69777133 KVJSTAWRJHHUKV-AWEZNQCLSA-N 301.394 2.110 0 40 DEAB CCc1nnc(NC(=O)Cc2cnn(-c3ccccc3)c2)s1 14898944 MUYNNZCRKFNZHR-UHFFFAOYSA-N 313.386 2.467 0 40 DEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCCCCC2)c1 4928180 FXFAILKDUGLFIG-UHFFFAOYSA-N 318.373 2.204 0 40 DEAB Cc1cc(-n2cc(C(=O)NCc3ccco3)nn2)ccc1F 67262004 JAESOPMIFVSQPM-UHFFFAOYSA-N 300.293 2.238 0 40 DEAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1 7042104 OMSZTTCTNDIDPT-NSHDSACASA-N 313.357 2.233 0 40 DEAB Cn1c(SCC(=O)NCC2CCCCC2)nnc1C1CC1 7235533 GOTNPBMWKNFYGB-UHFFFAOYSA-N 308.451 2.481 0 40 DEAB COc1ccccc1N1CCN(Cc2ncc(Cl)n2C)CC1 18034244 OEGVJUKJXLRDJX-UHFFFAOYSA-N 320.824 2.404 0 40 DEAB C[C@H](C(=O)NC1CCCC1)n1cc(Br)ccc1=O 7777631 VIEKUDIHXUETCU-SECBINFHSA-N 313.195 2.231 0 40 DEAB O=C(Cc1csc(NC(=O)c2cccs2)n1)NC1CC1 9614065 HECJNDWQWBCDDF-UHFFFAOYSA-N 307.400 2.278 0 40 DEAB CSCC[C@H](C)NC(=O)NC[C@](C)(O)c1ccc(C)o1 78942263 UPVUNGALMKTYDF-HZMBPMFUSA-N 300.424 2.236 0 40 DEAB CC(C)(CNC(=O)N1CCC[C@H]1C(C)(C)O)c1ccncc1 97114752 UAWIKVQNYYQYSA-AWEZNQCLSA-N 305.422 2.304 0 40 DEAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@@H]1C[C@@H]1C 97136154 WDSDTIQRTQTWCC-GZMMTYOYSA-N 300.355 2.149 0 40 DEAB OCCn1ncc2c(NC[C@@H]3CCCc4ccccc43)ncnc21 97200246 SNOBQASBAJRZNU-AWEZNQCLSA-N 323.400 2.351 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC(c2cnn(C)c2)CC1 97203624 MIHVXURIIPTQID-GASCZTMLSA-N 318.465 2.389 0 40 DEAB NC(=O)c1c(F)cccc1OCc1nc(-c2ccco2)no1 97376168 XUVZOXYQAJOWDK-UHFFFAOYSA-N 303.249 2.147 0 40 DEAB COC(=O)C(C)(C)C(C)(C)NC(=O)c1cnn(C)c1C(F)F 72502130 SKXFOHDRUFPJRB-UHFFFAOYSA-N 317.336 2.065 0 40 DEAB Cc1ccc(C)c2sc(NC(=O)CNC(=O)NC3CC3)nc12 95394902 LBRVZPFVUAHPHX-UHFFFAOYSA-N 318.402 2.313 0 40 DEAB O=S(=O)(Cc1ccccc1F)NCCc1cccc(O)c1 95432954 KFEQEHJQCGVYHE-UHFFFAOYSA-N 309.362 2.193 0 40 DEAB COCCN1CCC(NC(=O)c2ccc(Cl)s2)CC1 85468039 VJQSGZBNNFXPQO-UHFFFAOYSA-N 302.827 2.242 0 40 DEAB C[C@@H]1CCCN1CCNC(=O)Cc1ccc(OC(F)F)cc1 95961716 QAMYZLJAHJZXJT-GFCCVEGCSA-N 312.360 2.431 0 40 DEAB C[C@@H]1COCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 95951297 GGGPLHFFWAEYHL-CYBMUJFWSA-N 300.362 2.184 0 40 DEAB COCCNCc1nc(NCCOC)c2c(C)c(C)sc2n1 9986849 SCVDHYZYZXBJLQ-UHFFFAOYSA-N 324.450 2.102 0 40 DEAB COC(=O)c1ccnc(NS(=O)(=O)c2cc(F)ccc2C)c1 78804598 PRDKAAQRUFGUHE-UHFFFAOYSA-N 324.333 2.117 0 40 DEAB CCc1onc(C)c1C(=O)N1CCC(OC[C@H]2CCOC2)CC1 122111124 UULUNHDLVHTGLP-ZDUSSCGKSA-N 322.405 2.203 0 40 DEAB CC(C)(CNC(=O)[C@@H]1COCCO1)c1ccc(F)cc1Cl 79041223 BYHMXBPRHSGOEA-ZDUSSCGKSA-N 315.772 2.288 0 40 DEAB CC(C)N(C[C@H]1CCN(CCO)C1)C(=O)OCc1ccccc1 79411137 DYPVAJXRYQKNMC-KRWDZBQOSA-N 320.433 2.348 0 40 DEAB CCNS(=O)(=O)c1ccc(Br)c(OCC)c1 32601695 IBDPVSNYHLTKKZ-UHFFFAOYSA-N 308.197 2.146 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCC 217706957 UHBCSLGUEUHVLF-SNVBAGLBSA-N 314.407 2.284 0 40 DEAB COCC(=O)N1CC[C@H](c2nnc(-c3ccc(C)cc3)o2)C1 49170966 DIIMYPPJQYOYFF-ZDUSSCGKSA-N 301.346 2.007 0 40 DEAB biogenic,in-vitro COc1ccc(CNC[C@H]2CC(=O)N(C3CC3)C2)c(Cl)c1 563263284 YWLFVGCVDDMGDL-LLVKDONJSA-N 308.809 2.449 0 40 DEAB CC[C@H](C)CC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cn1 192261531 LWXZWOPOCYZSMY-QMMMGPOBSA-N 324.324 2.342 0 40 DEAB O=C([C@@H]1COCCO1)N1CCc2cc(Cl)cc(Cl)c2C1 84209187 MIDWSBLIJXMLTP-ZDUSSCGKSA-N 316.184 2.294 0 40 DEAB CC(C)N(CC(F)(F)F)C(=O)[C@H]1CC(c2cccnc2)=NO1 195580392 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Cc1cn[nH]c1[C@H]1COCCN1CCOc1ccc(F)cc1 257228912 FVVIWHKUQDJXHU-OAHLLOKOSA-N 305.353 2.310 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1 257318336 VNLQQCJGXCGYSZ-LBPRGKRZSA-N 317.414 2.482 0 40 DEAB Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)n1 257227412 FPDBUQMNRDWLGO-NSHDSACASA-N 309.366 2.035 0 40 DEAB Cc1ccc(SC[C@H](C)NC(=O)N[C@@H]2CCCNC2=O)cc1 390833696 LQAAEQVNQXYXIX-GXTWGEPZSA-N 321.446 2.053 0 40 DEAB C[C@H](NC(=O)c1cncc(C(=O)N[C@@H](C)C2CC2)c1)C1CC1 49601748 ROENJOLULOWGNY-QWRGUYRKSA-N 301.390 2.138 0 40 DEAB CCCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2C)C1=O 64388527 XYYUGRNOSJIJKH-CYBMUJFWSA-N 303.362 2.044 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)c2cnc(C3CCNCC3)o2)C1(C)C 1548548585 WWOWSOYCQVSHOH-SUMWQHHRSA-N 321.421 2.075 0 40 DEAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1cccc(-n2cccn2)c1 97018006 RXNCBBIXRYRLBL-MRXNPFEDSA-N 321.336 2.428 0 40 DEAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(C)=O 128565 TWEHAMOIFIXVHK-UHFFFAOYSA-N 308.378 2.279 0 40 DEAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 12113243 PULVRPUVYSLGIG-GDBMZVCRSA-N 318.417 2.097 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13119517 RBCLQHYNMDGQIU-LOWDOPEQSA-N 309.749 2.465 0 40 DEAB CC(C)(C)n1ncn(Cc2csc([C@H]3CCCO3)n2)c1=O 155965240 FTKBJCSARKRAHN-LLVKDONJSA-N 308.407 2.156 0 40 DEAB O=C(O)C[C@@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1 519868244 ZDWAMXGKCUWBTC-LBPRGKRZSA-N 317.320 2.091 0 40 DEAB COc1cc(OC)c(NC(=O)Cn2ccccc2=O)cc1Cl 11227923 YNRFRRGEIUYINL-UHFFFAOYSA-N 322.748 2.158 0 40 DEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2cc(C)no2)nn1 1888843018 DWWNHFWRFJJBOG-YIONKMFJSA-N 317.393 2.089 0 40 DEAB O=C(NC1CN(c2cc(C(F)(F)F)ccn2)C1)c1ccccn1 1888856578 YSQSBVZTOKZXFH-UHFFFAOYSA-N 322.290 2.114 0 40 DEAB O=C1N[C@@]2(CCOc3ccccc32)C(=O)N1Cc1ccccc1 36882662 MUNSAJOKNJPVED-GOSISDBHSA-N 308.337 2.416 0 40 DEAB C[C@@H](c1ccccc1)N(C)S(=O)(=O)c1ncn(C)c1Cl 27976705 QDJKRRKBZDLOHB-JTQLQIEISA-N 313.810 2.455 0 40 DEAB CN(c1ccccn1)C1CCN(c2ncnc3c2ccn3C)CC1 2081044746 DYJRHPGJDRALCI-UHFFFAOYSA-N 322.416 2.469 0 40 DEAB O=C(Cc1ccc(F)cc1)NCCn1cc(-c2cccnc2)cn1 585148386 PSDBWEUMEBRAFC-UHFFFAOYSA-N 324.359 2.443 0 40 DEAB C[C@](O)(CNC(=O)/C=C/c1ccoc1)c1ccc2c(c1)OCO2 206704513 IZCQWWMZLBHHTQ-RTZWDOBSSA-N 315.325 2.045 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(F)F)cc1 67458 HEMNZTJLDHUOCU-NSHDSACASA-N 312.272 2.089 0 40 DEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccco2)C[C@@H](C)O1 67718935 FGCQWMAEPAMPPX-KFWWJZLASA-N 321.421 2.063 0 40 DEAB Cc1cc(C)n2nc(CC(=O)Nc3ccc(F)cc3F)nc2n1 31547928 IYAMZDVGIZSGAQ-UHFFFAOYSA-N 317.299 2.201 0 40 DEAB O=C(Cn1nnc2ccccc21)Nc1ccc2oc(=O)ccc2c1 40555775 LYDVEFKMSIKRJO-UHFFFAOYSA-N 320.308 2.176 0 40 DEAB CCC(=O)Nc1c2c(nn1-c1ccc(C)cc1)C[S@](=O)C2 8553321 JUPTUGIYQUDACN-NRFANRHFSA-N 303.387 2.292 0 40 DEAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCOCC1 57631299 AAZJHKCZVZFNOJ-GFCCVEGCSA-N 303.280 2.033 0 40 DEAB O=C(NC1CCCC1)[C@@H]1C[C@H]2OCC[C@H]2N(Cc2ccoc2)C1 107710918 YFNZTHGMCAPOAF-DJIMGWMZSA-N 318.417 2.318 0 40 DEAB Cc1ccccc1-c1nnc2s/c(=C\c3ccco3)c(=O)n12 530995 ZHUMBCJDAFWGFV-LCYFTJDESA-N 309.350 2.267 0 40 DEAB CN(C)c1cccc(C(=O)NCCNC(=O)CC2CCCC2)c1 69493952 CNNCDZBXSLHMRL-UHFFFAOYSA-N 317.433 2.179 0 40 DEAB C[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)O 33452372 SWUWZNRMKJMKBD-VIFPVBQESA-N 307.277 2.201 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NCC2(c3ccccc3)CC2)C1 27967498 CTKTZZAPKIITJR-AWEZNQCLSA-N 308.447 2.285 0 40 DEAB CCc1cnc(CCNS(=O)(=O)c2ccc(F)cc2)s1 96428663 NMTOMLJAFJDRRG-UHFFFAOYSA-N 314.407 2.366 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCC(C)CC3)cc2)C1 57332293 GAWOPTRBBSMQSV-CQSZACIVSA-N 316.401 2.449 0 40 DEAB CCN(CC)S(=O)(=O)c1cc(C)cc2c(C)cc(=O)[nH]c12 12411661 RZNRQJQZPCEYEC-UHFFFAOYSA-N 308.403 2.175 0 40 DEAB CC(C)C[C@@H]1NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 42753690 GXMLRTUSWMQPKA-STQMWFEESA-N 310.781 2.340 0 40 DEAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(C)CC1 27975843 GPSGEDHRRJKPEH-KRWDZBQOSA-N 302.418 2.107 0 40 DEAB CC(C)COCCC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 42917154 MYQYSWBIHNEDAN-GFCCVEGCSA-N 320.389 2.257 0 40 DEAB CC(=O)Nc1ccc(NC(=O)C(C)C)c(N2CCOCC2)c1 22636610 KWLOLACRDQDDMG-UHFFFAOYSA-N 305.378 2.076 0 40 DEAB C[C@@H]1CCCN(Cc2ccc(C(=O)N3CCOCC3)cc2)C1 20458670 XYWQHNIJFDSURP-OAHLLOKOSA-N 302.418 2.391 0 40 DEAB COc1cc(C(C)=O)ccc1OCc1nnnn1-c1ccccc1 26466255 XUMYSVYOFNLCBF-UHFFFAOYSA-N 324.340 2.453 0 40 DEAB COc1ccc([C@@H](O)CNCc2cccc3c2OCO3)cc1 47700412 RVLFQKIPXWHNKZ-HNNXBMFYSA-N 301.342 2.247 0 40 DEAB CCCc1nc(CN2CCC(N3CCNC3=O)CC2)cs1 44976169 NXBUYYVLYMOCPT-UHFFFAOYSA-N 308.451 2.085 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3CCC(N(C)C)CC3)cnc21 44934987 ZSIAUSXREBUDDC-UHFFFAOYSA-N 315.421 2.178 0 40 DEAB COc1ncccc1CNCc1c(C(C)C)nn(C)c1OC 58391828 OOURKWPSXKPKLQ-UHFFFAOYSA-N 304.394 2.246 0 40 DEAB O=C(NCc1nnc2n1CCC2)N[C@H]1CCCc2ccccc21 48260898 AZVXEYYWWPLGOF-AWEZNQCLSA-N 311.389 2.101 0 40 DEAB Cc1ccccc1OCC(=O)OCC(=O)NCc1ccccc1 3435689 PAVJQKKUXHKXLT-UHFFFAOYSA-N 313.353 2.233 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)C1 13087161 JMDZUAQTRFXCBV-LBPRGKRZSA-N 311.403 2.124 0 40 DEAB CCSc1ncccc1C(=O)N[C@H](CCSC)C(=O)O 4284540 ZWPMMGBFRCEMNH-SNVBAGLBSA-N 314.432 2.130 0 40 DEAB O=C(OCc1nnsc1Cl)c1cc2ccccc2c(=O)[nH]1 8217028 MLOAMOXHLFLWSM-UHFFFAOYSA-N 321.745 2.390 0 40 DEAB Cn1cc(C(=O)NCCc2nc(C(C)(C)C)cs2)ccc1=O 70013953 OYJNEOMBHPWZQU-UHFFFAOYSA-N 319.430 2.112 0 40 DEAB CCn1cnnc1CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 65423373 FYFKXMDZIMDDAK-DGCLKSJQSA-N 302.378 2.263 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)NCCN1CCc2ccccc2C1 65404146 WBRSZNDDTYAHDI-UHFFFAOYSA-N 313.405 2.206 0 40 DEAB CC(C)[C@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 5326980 BVBNTWRCQOBAAO-JTQLQIEISA-N 307.785 2.154 0 40 DEAB O=C(c1ccccc1OC(F)F)N1N=CC[C@]1(O)C(F)(F)F 6402676 HYVVUZNDBRWLJN-NSHDSACASA-N 324.205 2.371 0 40 DEAB CCCCNC(=O)c1cc2c(=O)n(CCCC)ccc2[nH]c1=O 4705531 AGDBJGVSMANEHG-UHFFFAOYSA-N 317.389 2.020 0 40 DEAB COC(=O)c1c(SCCc2cccs2)nc(=O)[nH]c1C 69517773 KERJUIHMPWFLMA-UHFFFAOYSA-N 310.400 2.261 0 40 DEAB C[C@@H](C(=O)N1CCCC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 66850580 DPINFKGNYVCWJL-LRDDRELGSA-N 324.371 2.349 0 40 DEAB Cc1noc(C)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 15198121 BOYYPPZFFCRGPG-SECBINFHSA-N 322.386 2.186 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc1OCC(F)F 69699110 WJVWFBYQDBCCOJ-SNVBAGLBSA-N 312.316 2.056 0 40 DEAB Cc1ccc(CC(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)s1 69928535 ZAJDSRKENMDDRZ-OAHLLOKOSA-N 324.490 2.150 0 40 DEAB COc1ccc(NS(=O)(=O)c2cc(C(=O)O)cs2)cc1 15243173 JQGLPKQOIFQUEA-UHFFFAOYSA-N 313.356 2.256 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 69918882 ABJMSTNPWPLPJS-UHFFFAOYSA-N 319.796 2.199 0 40 DEAB Cn1ccnc1[C@H](NC(=O)c1ccccn1)c1ccccc1F 18236577 YQSWPMJJRPXTEI-OAHLLOKOSA-N 310.332 2.474 0 40 DEAB Cc1cc(C)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1 9015910 GSALAGZQILSCNZ-VXGBXAGGSA-N 310.444 2.265 0 40 DEAB Cc1ncc2c(n1)[C@]1(CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)C1)COC2 306132486 LKRKJFLPKCDCOQ-OLMMMNRUSA-N 311.429 2.471 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCCC[C@@H]1Cn1cccn1 71865184 UUMVONDBJHURLM-CYBMUJFWSA-N 300.362 2.443 0 40 DEAB Cn1cc([C@@H]2CCCN2CCS(=O)(=O)c2ccccc2)cn1 71797153 OLHFWMQWEHGULR-INIZCTEOSA-N 319.430 2.031 0 40 DEAB CCS(=O)(=O)NCc1c(C(=O)OC)sc2ccccc12 71796155 ZQIPXJCRTOVAOL-UHFFFAOYSA-N 313.400 2.127 0 40 DEAB CC[C@H](Nc1ccc(C)c(I)c1)C(N)=O 71902397 AUNCFOWGZQNHPD-JTQLQIEISA-N 318.158 2.275 0 40 DEAB COc1ccccc1/C=C/CNCC(C)(C)N1CCOCC1 71924517 XTLGJRNADKFQBI-SOFGYWHQSA-N 304.434 2.409 0 40 DEAB C/C(=C\c1ccccc1)CNC1CCN(S(C)(=O)=O)CC1 71924530 BIYOSKFKWFTEOI-WYMLVPIESA-N 308.447 2.104 0 40 DEAB Cc1cccc([C@H]2C[C@H]2C(=O)N2CCc3nnc(N)cc3C2)c1 75129049 TUYFWMXNEIATCY-HUUCEWRRSA-N 308.385 2.056 0 40 DEAB COc1c([C@@H]2CCCN2[C@@H](C)c2nnc(C)o2)c(C)nn1C 72253781 UJRNXFMUMFAKAF-JQWIXIFHSA-N 305.382 2.327 0 40 DEAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H](n3cncn3)C2)c(C)o1 72235085 AERQPKKWZQTKAC-GXTWGEPZSA-N 302.378 2.455 0 40 DEAB Cc1ccc(CC(=O)N[C@H](C(=O)O)c2ccc(F)c(F)c2)cn1 97036651 SJQLSHJWNDVVNY-HNNXBMFYSA-N 320.295 2.153 0 40 DEAB Cn1c(CCNC(=O)C2(O)CCCCC2)nc2c(F)cccc21 86539102 AISPIDHYPUEZCC-UHFFFAOYSA-N 319.380 2.066 0 40 DEAB CNC(=O)[C@@H](Cc1ccccc1)Sc1nncn1C(C)C 97085430 JBBXYRPSZRXNFM-CYBMUJFWSA-N 304.419 2.308 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1 97017432 VANYSEBUZGGUIV-VIFPVBQESA-N 306.343 2.340 0 40 DEAB COCCCN1CCC(NC(=O)Nc2cc(C)cc(C)n2)CC1 97143089 WTMBZTXXPTUHIC-UHFFFAOYSA-N 320.437 2.321 0 40 DEAB COc1ccc2cc(C(=O)N(C)C[C@H](O)C3CC3)c(C)nc2c1 87559011 FBARAKUQDUKCTJ-KRWDZBQOSA-N 314.385 2.395 0 40 DEAB CC(=O)NCCCSCC(=O)N1CCC[C@H]2CCCC[C@@H]21 89962653 PEMNGAJAVPZDLS-CABCVRRESA-N 312.479 2.427 0 40 DEAB COc1ccc(CCC(=O)N2CCC(C(=O)O)CC2)cc1F 95424053 MMOSKOSITJGVEQ-UHFFFAOYSA-N 309.337 2.090 0 40 DEAB Cc1nc(CCNC(=O)NCC(C)(C)[C@H](O)C(C)C)cs1 95436844 JAFKGMZROSYOFY-CYBMUJFWSA-N 313.467 2.336 0 40 DEAB Cc1n[nH]c(SCC(=O)N[C@H](c2ccccn2)C(C)C)n1 73845186 XOFXDLCYUBDYDG-ZDUSSCGKSA-N 305.407 2.114 0 40 DEAB OCCN(CCO)c1nc2cc(C(F)(F)F)ccc2s1 78988786 PVBMJMYYCNADRW-UHFFFAOYSA-N 306.309 2.106 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 78988382 HKPYOEBRFIOWIO-BDJLRTHQSA-N 324.371 2.413 0 40 DEAB COc1cccc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 95967696 KRTSAYXOUDKXNW-GFCCVEGCSA-N 320.414 2.345 0 40 DEAB COC(=O)[C@H](NC(=O)CC(F)(F)F)c1ccc(F)c(F)c1 89369122 AOPVNLFMYULQQY-SNVBAGLBSA-N 311.206 2.248 0 40 DEAB O=C(O)c1cc(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)no1 1548596714 DJHZKAFJMNEDCK-GFCCVEGCSA-N 322.361 2.038 0 40 DEAB Cc1cnc(CCNC(=O)c2cccc([C@H]3CCCN3)n2)s1 72365733 AFQFZYJLOVHYBL-GFCCVEGCSA-N 316.430 2.244 0 40 DEAB C[C@H](c1cccnc1)N(C(=O)COC[C@H]1CCCO1)C1CC1 79092929 HULYSMSXUWPSJN-CZUORRHYSA-N 304.390 2.329 0 40 DEAB CCOC(=O)C1=NN(c2cccc(Cl)c2)[C@@](C)(C(=O)O)C1 71979651 YMLKJJBPICCLOM-CQSZACIVSA-N 310.737 2.313 0 40 DEAB O=C1CCC(=O)N1CCSC(=S)N1CCCCCC1 3200214 FUJMWDVMGHUBNP-UHFFFAOYSA-N 300.449 2.030 0 40 DEAB biogenic O=C(CCc1cccc(C2CCNCC2)n1)N1CCCCC1 72366418 QONYKGJCMMGWKG-UHFFFAOYSA-N 301.434 2.494 0 40 DEAB O=C1C[C@H](CNC(=O)c2ccc(C3SCCS3)cc2)CN1 521394808 ZSOMLFJNCFJXIH-JTQLQIEISA-N 322.455 2.031 0 40 DEAB Cc1cc(C(=O)N2CCc3ccccc32)c2c(O)nn(C)c2n1 31780588 JYZIMURUDRFWPL-UHFFFAOYSA-N 308.341 2.185 0 40 DEAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCN(Cc2ccc(F)cc2)C1 72369998 MGCBVCNXTIBRLE-ZDUSSCGKSA-N 316.380 2.240 0 40 DEAB Cn1cc([C@H]2CCCCN2C(=O)c2ccc3cncn3c2)cn1 556480034 ZDMLVZQLNHGKMX-MRXNPFEDSA-N 309.373 2.435 0 40 DEAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2cccc(C)c2)cc1OC 72227407 KELIFKBAEGSSCF-IRXDYDNUSA-N 312.369 2.427 0 40 DEAB CC(C)N(Cc1ccccc1)[C@H]1CCCN(C(=O)[C@H](C)N)C1 79415531 WTCGRYPKYZKMFN-RDJZCZTQSA-N 303.450 2.235 0 40 DEAB Cc1nc(C)c(C(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)s1 238831434 FZRRYIUQUBOSRZ-GWCFXTLKSA-N 300.387 2.452 0 40 DEAB Cc1cccc(OCC(=O)Nc2nn3c(C)nnc3s2)c1C 41076415 YAGYTYRWWKTFDP-UHFFFAOYSA-N 317.374 2.129 0 40 DEAB Cc1nnc(CCNC(=O)N2CCCC[C@@H]2C(F)F)s1 562246843 KHKKSYDSSPOBKK-SECBINFHSA-N 304.366 2.218 0 40 DEAB CC[C@H]1CN(CC)CCN1C(=O)c1cc(-c2ccoc2)[nH]n1 566545974 CRULTGMHKOGWFW-ZDUSSCGKSA-N 302.378 2.226 0 40 DEAB Cn1c(CCNC(=O)Nc2cccnc2)nc2ccc(F)cc21 80767853 HYYVAAGQXWGRIF-UHFFFAOYSA-N 313.336 2.472 0 40 DEAB CC(C)(CNC(=O)N1CCC[C@@]2(CNC(=O)C2)C1)C1CCC1 570045183 VWRLEGRNFDQMKE-QGZVFWFLSA-N 307.438 2.124 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2cnn3ccccc23)c(C)c1 75162944 QOYBXCSAJVRKAH-UHFFFAOYSA-N 315.398 2.430 0 40 DEAB COc1ccc(-c2nnc(SCCCC(=O)O)[nH]2)cc1OC 224977218 IRSIIYLUFSIQQM-UHFFFAOYSA-N 323.374 2.446 0 40 DEAB CCc1cc(CNC(=O)NC[C@H]2CCO[C@@H]2C(C)(C)C)on1 96421589 ZWSSUMNXUBZPNZ-RISCZKNCSA-N 309.410 2.487 0 40 DEAB CC(C)[C@H](Cc1ccccc1)C(=O)NC[C@H](O)C1CCOCC1 96417844 NVTQUVSIWZKXBK-ROUUACIJSA-N 319.445 2.405 0 40 DEAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccco2)N1Cc1ccncc1 96056597 RQAISFQTTHVAGV-IAGOWNOFSA-N 311.385 2.440 0 40 DEAB CC(=O)NCCCNC(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1 96437581 STLJQEAKMGNISS-MLGOLLRUSA-N 321.396 2.444 0 40 DEAB COc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)ncn1 96184774 XGMXTHASRNDHEP-KGLIPLIRSA-N 316.430 2.400 0 40 DEAB c1ccc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)nc1 96189102 KXIORFNYGHXJMT-MRXNPFEDSA-N 312.417 2.337 0 40 DEAB O=C(NCCc1cccnc1)NCc1cccc(-n2cccn2)c1 96409635 UYYYHPPQYBWPII-UHFFFAOYSA-N 321.384 2.309 0 40 DEAB Cc1cccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)n1 96183284 UQEOYSQOQUWWGW-ZWKOTPCHSA-N 301.434 2.075 0 40 DEAB CC(=O)c1ccc(F)cc1NCC(=O)N1C[C@@H](C)O[C@H](C)C1 97371502 DAIOOOQRRNJUOH-GHMZBOCLSA-N 308.353 2.076 0 40 DEAB CO[C@@H]1CCN(C(=O)c2ccsc2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108554 CEBKPKBKZAIUMW-ARFHVFGLSA-N 320.458 2.319 0 40 DEAB CC(C)c1nnc2n1C[C@H](NC(=O)CSC(F)(F)F)CC2 95393662 GHXRYMILKRDKIG-MRVPVSSYSA-N 322.356 2.086 0 40 DEAB CN(Cc1cn2c(n1)CN(CC1CC1)CC2)Cc1ccco1 96059536 FXMWCVLOSSNFNG-UHFFFAOYSA-N 300.406 2.334 0 40 DEAB O=C(NC1Cc2ccccc2C1)N[C@@H]1CCC[C@H]2OCC[C@H]12 97377419 AJDBEPFNVPIRJT-BRWVUGGUSA-N 300.402 2.411 0 40 DEAB COC[C@H]1CN(CC(C)C)CC12CCN(C1CCOCC1)CC2 248218019 HBWBPFSPHCTVHE-QGZVFWFLSA-N 324.509 2.482 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)ccn1 257261290 LGOZEXKTNMOSJO-HNNXBMFYSA-N 322.372 2.372 0 40 DEAB Cn1cc(C(=O)N2CCO[C@H](c3cnccn3)C2)c2ccccc21 257298354 RLILSDUFRODMGA-KRWDZBQOSA-N 322.368 2.182 0 40 DEAB Cc1nccc([C@H]2CN(C(=O)c3sccc3C)CCO2)n1 257226201 FJPYFOPIWTUXQN-CYBMUJFWSA-N 303.387 2.369 0 40 DEAB O=C(NCc1ccc2c(c1)COC2)N[C@H](CO)c1ccccc1 352266402 WGEOWGVDXDNAKF-QGZVFWFLSA-N 312.369 2.250 0 40 DEAB Cn1cc([C@@H](O)C(=O)NC2(c3ccc(Cl)cc3)CCC2)cn1 286064628 WDDHBGNHRIGYKW-CQSZACIVSA-N 319.792 2.303 0 40 DEAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)Cc3ccccn3)C[C@H]21 585110017 VTGMDXUHPIHXEJ-CJNGLKHVSA-N 322.412 2.336 0 40 DEAB COCC[C@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1 585095051 BQARQDPXRJOYGN-HNNXBMFYSA-N 302.422 2.199 0 40 DEAB CCOC(=O)NCCC(=O)Nc1ccc2c(c1)OC(C)(C)O2 49307510 ZUGZQJWPPQKQKN-UHFFFAOYSA-N 308.334 2.269 0 40 DEAB CN(C(=O)CN1CCC(c2cn[nH]c2)CC1)C1CCCCC1 65467305 HYQGHBZCUQTAMB-UHFFFAOYSA-N 304.438 2.380 0 40 DEAB CN1CC[C@H](CN[C@H](C(N)=O)c2ccccc2)c2ccccc21 56216232 MMZKEXQIZUZBHD-QAPCUYQASA-N 309.413 2.426 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)n1cccn1 72234075 JLJSUZGOUWWZRR-KGLIPLIRSA-N 301.394 2.158 0 40 DEAB Cc1cccn2c(=O)cc(CN(CCCO)c3ccccc3)nc12 75106318 MZXYVSHMCMQUSC-UHFFFAOYSA-N 323.396 2.392 0 40 DEAB O=C(CCn1nnc2ccccc2c1=O)NC1CCCCCC1 425481 INYWDJMEDMOYBL-UHFFFAOYSA-N 314.389 2.021 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c(OC)c1 13946986 NHKAJFZMGQCRKD-TXEJJXNPSA-N 313.419 2.370 0 40 DEAB Cc1n[nH]cc1CNC[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 643585518 QYQXTXOTOHFDJI-ZTFGCOKTSA-N 315.417 2.416 0 40 DEAB Cc1ccc2oc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc(=O)c2c1 12779822 MGBBPBKFYJKSLN-TXEJJXNPSA-N 301.342 2.351 0 40 DEAB COC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)o1 25436347 CCAQGYQJNCUOEK-UHFFFAOYSA-N 314.385 2.384 0 40 DEAB CCOc1ccccc1-n1ccn(CC2CCC2)c(=O)c1=O 2086949988 IGIRIMMSDLWYBJ-UHFFFAOYSA-N 300.358 2.198 0 40 DEAB CCOC(=O)c1c(NC(=O)CC)sc2c1CCN(C(C)=O)C2 3964034 ZKPDEQVTGSHEQN-UHFFFAOYSA-N 324.402 2.178 0 40 DEAB CSCC[C@H](O)CNC(=O)c1ccc(OC(F)(F)F)cc1 1775967596 XLGHEPBDUKSANA-JTQLQIEISA-N 323.336 2.429 0 40 DEAB O=C(NCCCn1ncccc1=O)Nc1ccc(F)c(Cl)c1 23241909 BPANRUDEYWHGQA-UHFFFAOYSA-N 324.743 2.248 0 40 DEAB CCN(Cc1ccccc1)C(=O)c1nc(-c2cnccn2)no1 44121480 ZPPMYLSOKSNZCF-UHFFFAOYSA-N 309.329 2.189 0 40 DEAB O=C(NCc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 5999217 IZCXPHNJHKDKIP-CVEARBPZSA-N 323.396 2.177 0 40 DEAB biogenic CC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 40091344 FNNFZBLJPVFZJM-GFCCVEGCSA-N 322.430 2.382 0 40 DEAB CCn1ccnc1CN1CCN(c2cnc3ccccc3n2)CC1 69418280 GULPBRUZTCBBSO-UHFFFAOYSA-N 322.416 2.168 0 40 DEAB CCN(Cc1ccccc1)C(=O)c1ccccc1-n1cnnn1 20426754 GYTRQHCCDFERCC-UHFFFAOYSA-N 307.357 2.325 0 40 DEAB CCCOc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1 3672299 YOSWJYJEUQVMLH-UHFFFAOYSA-N 313.357 2.125 0 40 DEAB CCOCCCNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 57511390 APVUAOLOOGNUNA-UHFFFAOYSA-N 308.769 2.077 0 40 DEAB COC(=O)c1ccc(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)o1 2643507 ZTIBEBMKCFJZJP-QLJPJBMISA-N 320.345 2.067 0 40 DEAB COc1ccc(OCC(=O)NCCCN2CCCCCC2)cc1 10111076 DMFGYVYZWBUYEW-UHFFFAOYSA-N 320.433 2.456 0 40 DEAB Nc1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)s1 8066727 TVBOXIJYYORFPX-VHSXEESVSA-N 312.464 2.251 0 40 DEAB CNc1snc(C)c1C(=O)Nc1ccc2c(c1)NC(=O)CO2 21194413 IQVHFIHESQIMFB-UHFFFAOYSA-N 318.358 2.076 0 40 DEAB Cc1cc(NCc2ccnc(OCC(F)(F)F)c2)nc(N)n1 52105805 UJAXBZPKNVYGGW-UHFFFAOYSA-N 313.283 2.315 0 40 DEAB CCc1nnc(NC(=O)CNC(=O)c2cc(C)cc(C)c2)s1 21288566 XBGSRIIEJCIBMT-UHFFFAOYSA-N 318.402 2.086 0 40 DEAB NC(=O)[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc2cccnc12 75103872 LXMRHOFMFAFSLX-CHWSQXEVSA-N 312.373 2.400 0 40 DEAB CCC[C@@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccccc1 32941161 CGRSMOLKJPZQHQ-HUUCEWRRSA-N 303.406 2.435 0 40 DEAB Cc1ccc(C(=O)NCCOCc2ccccc2Cl)c(=O)[nH]1 75124194 ZPCCZZAXNBPEDF-UHFFFAOYSA-N 320.776 2.283 0 40 DEAB O=C(NC1CCCCC1)c1ccc(Cl)cc1-n1cnnn1 12391347 QQTNACKPUWPMKM-UHFFFAOYSA-N 305.769 2.378 0 40 DEAB O=C(NCCS(=O)(=O)c1ccccc1)c1ccccc1F 47386018 VVQWAUAAIZOBEO-UHFFFAOYSA-N 307.346 2.029 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2 102971623 HUJYLSHMKQOJDV-UPJWGTAASA-N 311.495 2.286 0 40 DEAB NC(=O)[C@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 794307 JXFFOLICBJXIKG-AWEZNQCLSA-N 310.353 2.104 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)CCO2)c1ccco1 42476157 HYHLYCDEDNSLDC-AWEZNQCLSA-N 300.358 2.247 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)N1CCc2sccc2C1 23757622 MWDWUJMHYAWVBB-UHFFFAOYSA-N 321.423 2.350 0 40 DEAB O=C1[C@@H]2CCCCN2C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 42754560 MTUGHZLYQWUDRI-QWHCGFSZSA-N 308.765 2.190 0 40 DEAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc2[nH]nnc2c1 12556755 MPDFYEXNLAFZET-UHFFFAOYSA-N 321.340 2.337 0 40 DEAB COC(=O)CCc1csc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)n1 102678929 NYBWXNPJOXBGEJ-JBLDHEPKSA-N 306.387 2.399 0 40 DEAB Cc1noc(C)c1CCNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 171721726 MRYVCLIPVLHFMO-MLGOLLRUSA-N 316.357 2.179 0 40 DEAB NC(=O)c1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1Cl 27005667 KTZVVMJSIYBTKN-CYBMUJFWSA-N 303.749 2.077 0 40 DEAB Cc1ccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)cc1 58173733 BRICFNBQSXLSJG-MRXNPFEDSA-N 303.406 2.324 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 110681817 ITCHTLCTQHPZPA-DPAVQSFQSA-N 315.417 2.356 0 40 DEAB CC(C)(C)c1nc(CN2CCN(Cc3ccco3)CC2)no1 44937664 MAGNLHLSCYNCOX-UHFFFAOYSA-N 304.394 2.278 0 40 DEAB COCCCN1CCCN(C(=O)Nc2ccccc2F)CC1 58390814 YORVSTGLSSZKTE-UHFFFAOYSA-N 309.385 2.402 0 40 DEAB COc1ccc([C@H](C)NC[C@H]2CNc3ccnn3C2)c(OC)c1 58312060 ALJBSDIEGAYEIP-STQMWFEESA-N 316.405 2.293 0 40 DEAB CC(C)Cc1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)no1 28015227 GFJSGDIPDIGSRU-UHFFFAOYSA-N 318.308 2.272 0 40 DEAB CN1N=C(C(=O)N2CCC[C@H]2CCc2ccccc2)CCC1=O 48366297 YUWKYNVAJUXKJD-HNNXBMFYSA-N 313.401 2.218 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](O)COc1ccccc1 69349472 REGRGVRGHAYYMJ-CYBMUJFWSA-N 318.373 2.276 0 40 DEAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(CCc1ccccc1)[C@H]1CCOC1 110672244 YZKQQWIAJGLMIR-BSDSXHPESA-N 315.413 2.414 0 40 DEAB COc1cccc(CC(=O)NCCc2ccc(C(=O)O)cc2)c1 13443076 FGPKRZAUACYHEF-UHFFFAOYSA-N 313.353 2.295 0 40 DEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccn(Cc2ccccc2)n1 17031536 YAXNRICJNHVGNE-HUUCEWRRSA-N 307.353 2.387 0 40 DEAB CCc1ccc(CN(C)C[C@]2(O)CCCN3CCCC[C@@H]32)nc1 63856460 CNBYQJJFMYTEOI-RTBURBONSA-N 317.477 2.455 0 40 DEAB Cc1cc(C)c(CCNc2nc3c(cnn3C)c(=O)[nH]2)c(C)c1 69562477 AQPPGBQTUDGYAQ-UHFFFAOYSA-N 311.389 2.236 0 40 DEAB COc1cc2cc(C(=O)NC[C@@H]3CCCO3)[nH]c2cc1OC 5204513 APVHIAUXMIGKDC-NSHDSACASA-N 304.346 2.094 0 40 DEAB Cc1cc(O)c2c(C)c(CC(=O)N3CCCC3)c(=O)oc2c1 4742653 BECDDWOSMGZYJX-UHFFFAOYSA-N 301.342 2.280 0 40 DEAB CN(Cc1cn2ccccc2n1)[C@H]1CCCN(c2cccnn2)C1 69951419 VLOZOBKSEIFAKF-INIZCTEOSA-N 322.416 2.225 0 40 DEAB CNS(=O)(=O)c1cccc([C@H](C)NCc2ccc(C)o2)c1 67010443 LSJULEAXTBGBSU-LBPRGKRZSA-N 308.403 2.347 0 40 DEAB Cc1ccc(CN2CCCC[C@@H]2C(=O)N2CCOCC2)cc1 67230185 FYBGLQHLOHVVDZ-QGZVFWFLSA-N 302.418 2.208 0 40 DEAB COc1ccc(OCCNC(=O)c2n[nH]c3ccccc23)cc1 7118737 SUKZKPXUKDKSJN-UHFFFAOYSA-N 311.341 2.380 0 40 DEAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1cccs1 7421010 LKQNRFAIENTIQD-NSHDSACASA-N 317.414 2.306 0 40 DEAB Cc1nnc2ccc(NCCCc3nc4ccccc4n3C)nn12 81009015 RLGUZBRJYTYACC-UHFFFAOYSA-N 321.388 2.364 0 40 DEAB CCCc1[nH]nc(O)c1[C@H]1OC(=O)c2c1ccc(OC)c2OC 9060086 RWSGRKKCRMACLA-ZDUSSCGKSA-N 318.329 2.345 0 40 DEAB NC(=O)CN(C(=O)C1CC(c2ccccc2)C1)C1CCCC1 71833082 IQSUZNFUUZZVQH-UHFFFAOYSA-N 300.402 2.437 0 40 DEAB CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)c(F)c1 71862705 JPKIWXHWORKIHX-CQSZACIVSA-N 323.368 2.403 0 40 DEAB CCOC(=O)c1cccnc1N1CCC[C@@H](c2nc(C)no2)C1 96011536 ZKIXPDIUACTWMF-GFCCVEGCSA-N 316.361 2.334 0 40 DEAB COc1ncnc(N(C)C)c1NC(=O)c1cc(C)ccc1F 89611938 YWHSPXQHYCCZHE-UHFFFAOYSA-N 304.325 2.251 0 40 DEAB COC(=O)c1cc(CN2CCC(C3CCOCC3)CC2)c[nH]1 93705127 DPZPQMAJMMTTFS-UHFFFAOYSA-N 306.406 2.440 0 40 DEAB C[C@H]1CN(CCC2CCN(Cc3c[nH]cn3)CC2)C[C@@H](C)O1 93844313 CDVYWZUPBTVDOH-GASCZTMLSA-N 306.454 2.121 0 40 DEAB COc1ccc(-n2ccc(C(=O)N3CCCSCC3)n2)cc1 83952402 QKVGBJPWAJLOPK-UHFFFAOYSA-N 317.414 2.460 0 40 DEAB CC(C)(C)c1ncc(CNC[C@@H]2CCc3nncn3C2)s1 75605498 BWHFLEDXJVYZRD-NSHDSACASA-N 305.451 2.384 0 40 DEAB Cc1cccc(N2CCN(C(=O)Nc3cnn(C)c3)CC2)c1C 76061633 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Cc1nc2scc(C3CC3)n2c1CN[C@H]1CCCCNC1=O 95435779 MXBRACKGPSNBAJ-LBPRGKRZSA-N 318.446 2.340 0 40 DEAB CC(C)OC1CCC(NC(=O)NC[C@@H]2CCCN(C)C2)CC1 95434916 KCULTCVYKHXGEX-FHERZECASA-N 311.470 2.364 0 40 DEAB CC(=O)NC[C@H]1C[C@H](C)N(C(=O)c2cccc3ncccc23)C1 1010228877 HVPYXUBMNXHCAB-GXTWGEPZSA-N 311.385 2.222 0 40 DEAB CCn1nncc1C(=O)N1CCC(Oc2cccc(F)c2)CC1 529626703 BVPIZRJSHWVXDH-UHFFFAOYSA-N 318.352 2.121 0 40 DEAB CCN1CCN(C(=O)c2cc(-c3ccc(F)cc3)on2)CC1 122962737 BKKBBYUDMCCXDY-UHFFFAOYSA-N 303.337 2.258 0 40 DEAB Cc1cc(C)n(CCN2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 76009483 MYQJCCZGFJSOSE-HNNXBMFYSA-N 322.453 2.489 0 40 DEAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ncc(F)cn2)C1 72203032 FJEGSQGMWJBMMZ-LLVKDONJSA-N 310.373 2.357 0 40 DEAB Cc1noc(C2CN(C(=O)c3ccc4ncsc4c3)C2)n1 49482300 BNPCTOVKLAIRAD-UHFFFAOYSA-N 300.343 2.227 0 40 DEAB C[C@]1(NC(=S)Nc2ccccc2Cl)CCS(=O)(=O)C1 48417005 AKHPCJWSXWYJLY-LBPRGKRZSA-N 318.851 2.204 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1cc(C)on1)O2 40805332 KGTJMXCCAXXJPZ-HNNXBMFYSA-N 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DEAB CC[C@@H](C)[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)C(N)=O 70698345 KTNUNGMHYHVBKD-FHYAELHMSA-N 317.414 2.326 0 40 DEAB CC(C)n1ncc2cc(NC(=O)c3ccc(C(N)=O)cc3)cnc21 15512814 ZULZTMHARXVZQT-UHFFFAOYSA-N 323.356 2.363 0 40 DEAB Cc1nc(N(C)CC(=O)NC2CC2)c2c3c(sc2n1)CCC3 9049459 HQHMHXPDOLDVGP-UHFFFAOYSA-N 316.430 2.203 0 40 DEAB O=C(OCn1nnc2ccccc2c1=O)C1(c2ccccc2)CC1 7490940 SERIJNTXNHVMCN-UHFFFAOYSA-N 321.336 2.024 0 40 DEAB CN(C)CCn1ccc2ccc(NC(=O)C3(O)CCCC3)cc21 80655332 GAIBWMVOFNHLRE-UHFFFAOYSA-N 315.417 2.447 0 40 DEAB CC1CCN(CCCNS(=O)(=O)c2cccs2)CC1 7728748 HNIAWYSYJGRJOZ-UHFFFAOYSA-N 302.465 2.148 0 40 DEAB COc1ccccc1[C@@H](NC(=O)C1CCC1)c1noc(C)n1 70982503 GFNOBCOSZCSTTD-CQSZACIVSA-N 301.346 2.392 0 40 DEAB CCN1CCO[C@@H](CNCc2cc(Br)cs2)C1 71880851 VAVIAVXWKNQIJK-NSHDSACASA-N 319.268 2.321 0 40 DEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCC[C@@H]1Cn1cccn1 71875500 KIHGOCZMKGKMPS-QZTJIDSGSA-N 324.428 2.367 0 40 DEAB Cc1cccc2nc(CNC(=O)c3ccc4[nH]cnc4c3)cn12 71890886 OTRCXNKDMNFNDC-UHFFFAOYSA-N 305.341 2.449 0 40 DEAB CC(C)(C)[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)CCC1=O 71861545 HXBDWWHHDUWLIJ-QWHCGFSZSA-N 308.422 2.247 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C(N)=O)c1ccccc1 71876682 QWACPMGFXZEZFJ-WBVHZDCISA-N 312.417 2.400 0 40 DEAB CCOc1cccc(CNC(=O)c2cccc(C(=O)O)n2)c1 97017629 CGEOFFTVTXBBRI-UHFFFAOYSA-N 300.314 2.109 0 40 DEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)C2CC=CC2)c1 97046195 AZAOTVDTONUQHJ-UHFFFAOYSA-N 310.357 2.184 0 40 DEAB O=C(NCC1CCCCC1)[C@@H]1CCCN1C[C@H](O)C(F)(F)F 97141833 DXWSCXHIGLHFIL-STQMWFEESA-N 322.371 2.071 0 40 DEAB Cc1nc(C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)no1 97114236 KMLACOHFMBXYBJ-NSHDSACASA-N 318.352 2.036 0 40 DEAB Cc1nc(CNC(=O)Nc2nnc(-c3ccccc3)s2)no1 72304733 IAZHVGJWWFJOHU-UHFFFAOYSA-N 316.346 2.218 0 40 DEAB CCOC(=O)N1CCN(C(=O)[C@@H](C)Sc2ccccc2)CC1 20238434 WWQMIIBMJGMCAZ-CYBMUJFWSA-N 322.430 2.468 0 40 DEAB C[C@H]1CCC[C@H](OCC(=O)NCCN(C)CC(F)(F)F)C1 95396008 CRYPVQCNYUIIMG-RYUDHWBXSA-N 310.360 2.192 0 40 DEAB Cc1nc(CN(C)[C@@H]2CCN([C@@H](C)c3cccnc3)C2)no1 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C=CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cnn(C)c2C)c1 1540783741 KWVQMILMTBRLMJ-LLVKDONJSA-N 312.373 2.344 0 40 DEAB COc1ccccc1[C@H]1CCN(C(=O)c2cnn3ncccc23)C1 559507471 SKZUDSGYCMPGFO-ZDUSSCGKSA-N 322.368 2.368 0 40 DEAB Cc1nc(C(C)(C)NC(=O)c2ccn(C)c(=O)c2)sc1C 76474780 IVRBULYLSSBHAJ-UHFFFAOYSA-N 305.403 2.124 0 40 DEAB Cc1noc([C@H](C)NC(=O)C[C@@H]2OCCc3ccccc32)n1 79357796 WTOMZNFOGAJQHX-HZMBPMFUSA-N 301.346 2.259 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1ccccc1OC(F)F 71282728 ZKSOCKDLLNNOPN-UHFFFAOYSA-N 309.228 2.029 0 40 DEAB Cc1nnc(NC(=O)CCn2sc3ccccc3c2=O)s1 40268058 ZLOGEUYRWLYCBL-UHFFFAOYSA-N 320.399 2.252 0 40 DEAB Cc1nnc(NC(=O)c2csc(-c3cnccn3)n2)s1 44124106 DHHZCFGVLHBYSU-UHFFFAOYSA-N 304.360 2.012 0 40 DEAB O=C(COc1ccc(NC(=O)C(F)(F)F)cc1)N1CCCC1 225586314 XBUPKHZRVVIBHZ-UHFFFAOYSA-N 316.279 2.189 0 40 DEAB COc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)O)c2)cc1 225145956 PZLHEWGJDOHVQV-UHFFFAOYSA-N 321.354 2.219 0 40 DEAB Cc1nc(CCCNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)n[nH]1 80973234 MYDZGOKPWYEKOT-NWDGAFQWSA-N 304.419 2.336 0 40 DEAB Nc1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1 226252709 SPMXIFYDPNUGRJ-UHFFFAOYSA-N 315.348 2.497 0 40 DEAB CCc1noc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 41123304 UMFAIDRFCRMIDK-ZDUSSCGKSA-N 317.393 2.199 0 40 DEAB CO[C@@H](C)CNC(=O)NC1CCN(Cc2cccc(C)c2)CC1 225509061 KYUYWVUMHDTUOR-HNNXBMFYSA-N 319.449 2.294 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958314 KFWNUOXBBDYDGY-LBPRGKRZSA-N 320.364 2.342 0 40 DEAB CCn1ncc2ccc(NC3CCN(CC(=O)OC)CC3)cc21 195566305 ACZKLDCAGHNJQH-UHFFFAOYSA-N 316.405 2.106 0 40 DEAB O=C(NCCOc1ccccc1)NC[C@@H](O)c1cccs1 75170605 VHRXQIPGJINGMM-CYBMUJFWSA-N 306.387 2.160 0 40 DEAB C[C@H](C(=O)NC[C@H](O)c1cccc(F)c1)N1CCCCCC1 96436249 ALYVNWIHNAWRDD-CJNGLKHVSA-N 308.397 2.240 0 40 DEAB O=C(CCn1cncn1)N[C@@H](c1ccc(F)cc1)C(F)(F)F 96411245 RABCKCJILFCOFC-LBPRGKRZSA-N 316.258 2.227 0 40 DEAB COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(C)s1)CC2 96206140 MJKLAZKBHBKDHS-CQSZACIVSA-N 308.447 2.031 0 40 DEAB CCOC(=O)Nc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1 98175206 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Cc1ccc(F)c(N2CCC[C@H](NC(=O)NC3CC3)C2=O)c1 96409631 QOFVLGWEGRMOSQ-ZDUSSCGKSA-N 305.353 2.091 0 40 DEAB Cc1occc1CNC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 96455021 BMGQHSNTFPIESA-NSHDSACASA-N 319.327 2.366 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC(O[C@@H]3CCOC3)CC2)o1 96450880 PGVPDTSQYQOEDH-DWTRPJMMSA-N 305.374 2.398 0 40 DEAB CO[C@H]1CN(C(=O)COc2ccc(F)cc2)Cc2cccn2C1 247844279 MDTPFHAMXKBIDH-MRXNPFEDSA-N 318.348 2.063 0 40 DEAB CC(C)N(C)S(=O)(=O)N1CCC[C@H]1CC(=O)c1ccccc1 252487311 VKNIMEQVRBKVCP-HNNXBMFYSA-N 324.446 2.309 0 40 DEAB CC(=O)N1CCC(c2ccnc(N3C[C@H](C)OC3=O)c2)CC1 257229817 FZOOOEWCKBOXJZ-NSHDSACASA-N 303.362 2.153 0 40 DEAB CCCn1ccnc1CN1CCC[C@@H]1c1cncc(NC)n1 257207579 BIJKZXARZFWGBA-CQSZACIVSA-N 300.410 2.462 0 40 DEAB CC(=O)N1CCN(Cc2cnn(C)c2C)[C@H](c2ccccc2)C1 257291998 QJNJYRUBKNMALQ-SFHVURJKSA-N 312.417 2.134 0 40 DEAB COc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 298088512 GNOSKZRYWWLROY-SWLSCSKDSA-N 304.390 2.006 0 40 DEAB CCOCc1nnc2n1CCN(C(=O)C1=CCCCC1)[C@@H]2C 585096803 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CCOc1ccc(CNC[C@@H]2CN(C3CC3)CCO2)cc1OC 106379870 UAGFZFXMWTZGDU-MRXNPFEDSA-N 320.433 2.047 0 40 DEAB CO[C@]1(C(=O)O)CCN(Cc2cccc(C(F)(F)F)c2)C1 530170291 XFOUSHZJTFBNAD-CYBMUJFWSA-N 303.280 2.381 0 40 DEAB OC[C@]1(Cc2cccc(F)c2)CN(Cc2cscn2)CCO1 643914314 OIQHZSULOXPLQV-INIZCTEOSA-N 322.405 2.088 0 40 DEAB Cn1ccnc1CN1CCC[C@@H](Nc2ccc(Cl)cn2)C1=O 541191896 PFPYTRMBOBGVRN-GFCCVEGCSA-N 319.796 2.072 0 40 DEAB Cc1ccccc1NC(=O)NCC1(OCCO)CCSCC1 828765467 RZRVKZGYOJMNJK-UHFFFAOYSA-N 324.446 2.391 0 40 DEAB CSc1nc(C)cc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)n1 1889070521 SQWBZFYIBXSVHK-LLVKDONJSA-N 308.451 2.248 0 40 DEAB COc1ccc(CCN(C)c2c(C)c(C)nc3ncnn23)cc1 2087045437 VIMXXIGWLLFAJJ-UHFFFAOYSA-N 311.389 2.429 0 40 DEAB COc1ccccc1CNC(=O)C(=O)NC1CCCCCC1 10327110 LZWFVUNBOQSTIL-UHFFFAOYSA-N 304.390 2.150 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1ccc(C2SCCS2)cc1 30886234 SIYMWJKFPCVUTN-VIFPVBQESA-N 311.428 2.457 0 40 DEAB CSCc1nnc(SCCC(=O)Nc2cc(C)on2)o1 40480254 LQVXYVZLCIVUIZ-UHFFFAOYSA-N 314.392 2.350 0 40 DEAB Cn1cc(-c2nc(C(=O)Nn3cnc4ccccc43)cs2)cn1 40553354 UTBYIKHBWCOXSU-UHFFFAOYSA-N 324.369 2.277 0 40 DEAB Cc1ccccc1C(=O)OCc1cc(=O)n2ccsc2n1 3542557 LGFFTCPAWXGETB-UHFFFAOYSA-N 300.339 2.421 0 40 DEAB C[C@]1(c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)NC(=O)NC1=O 40535848 ARNUIXVXMIFDLV-PIGZYNQJSA-N 313.357 2.036 0 40 DEAB CCn1cc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C)n1 6636776 IJVYRDWVDMMOCE-RTXFEEFZSA-N 307.394 2.280 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(C)C)c12 58482125 ILYZXAFHELBJAS-UHFFFAOYSA-N 317.345 2.090 0 40 DEAB Cc1noc(C)c1CN(C)Cn1c(=O)n(C)c2ccccc21 89529339 WYVLYEQGNGXKEW-UHFFFAOYSA-N 300.362 2.034 0 40 DEAB COC[C@H](C)CNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O 75124235 XDBZEQQOAMSEDN-CYBMUJFWSA-N 314.385 2.363 0 40 DEAB COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100186263 YVNQJCOHOOYXGB-DDUZABMNSA-N 317.385 2.180 0 40 DEAB CSc1nnnn1-c1cccc(NC(=O)c2ccccn2)c1 32816657 TVBZGNHRJXPTMR-UHFFFAOYSA-N 312.358 2.032 0 40 DEAB COc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100395171 QNIQQQCVACZBLR-KWRZAIAESA-N 324.380 2.118 0 40 DEAB CC[C@@H](CNC(=O)[C@@H]1CCCO1)N1CCc2ccccc2C1 32817237 YXJQMONNZFKGNR-IRXDYDNUSA-N 302.418 2.119 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccc3[nH]c(=O)oc3c2)cc1 9526602 XTYLBDBSGHUCNJ-UHFFFAOYSA-N 304.327 2.230 0 40 DEAB COc1ccc(CCNC(=O)c2cc(C3CC3)n[nH]2)cc1OC 33249890 SZYVYTFKYQTEBU-UHFFFAOYSA-N 315.373 2.277 0 40 DEAB biogenic O=C(c1cnsn1)N1CCC[C@@H](CN2CCCCCC2)C1 103093112 KFZCACCRLHWSEI-ZDUSSCGKSA-N 308.451 2.266 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c(OC)c1 53372565 SHGQJXSYXYMDFX-LSDHHAIUSA-N 305.374 2.026 0 40 DEAB Cc1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 107728866 HELMIZKCOVWXMQ-RHSMWYFYSA-N 314.389 2.224 0 40 DEAB CNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1393423 JSEIWIXNFSFSBT-UHFFFAOYSA-N 313.744 2.399 0 40 DEAB Cc1cccc(C(=O)Nc2ccccc2NS(C)(=O)=O)n1 24895652 SXGSTQOHDUXNIA-UHFFFAOYSA-N 305.359 2.014 0 40 DEAB C[C@@H]1CN(C(=O)Nc2nnc(Cc3ccccc3)s2)CCO1 43370686 MQDCHRKOTOEEAX-LLVKDONJSA-N 318.402 2.382 0 40 DEAB C[C@@H]1C[C@@H](N2CCN([C@H](C)c3ccc(F)cc3F)CC2)C(=O)O1 106656179 JKZDBKJZIIOIOH-XHBSWPGZSA-N 324.371 2.347 0 40 DEAB O=C(C[C@H]1CCCO1)Nc1ccc(CN2CCOC2=O)cc1 55788549 RWUIWVATNBDRGI-CQSZACIVSA-N 304.346 2.146 0 40 DEAB CSc1ccc(NC(=O)CNC(=O)NCc2ccco2)cc1 56205451 WIMWTXNOGHLPCD-UHFFFAOYSA-N 319.386 2.439 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cc(NC(=O)c3ccco3)n(C)n2)C1 57279303 YYAVSWGGDYRWJW-LLVKDONJSA-N 316.361 2.138 0 40 DEAB COc1ccc(C)cc1NC(=O)CSc1nnc(N)s1 3248300 IKWRCXLHKJMMJK-UHFFFAOYSA-N 310.404 2.168 0 40 DEAB CC(C)CC(=O)N[C@H](C(=O)N(C)Cc1cccnc1)C(C)C 48183206 UMMUKTSJTHRQCU-INIZCTEOSA-N 305.422 2.227 0 40 DEAB Cc1nc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)sc1C 58208889 KNMTXNKDFDNWAH-UHFFFAOYSA-N 319.434 2.301 0 40 DEAB COc1c(C)cnc(CN(C)C(=O)NC2CCC(O)CC2)c1C 58482837 BJFMBEFHPZIBCP-UHFFFAOYSA-N 321.421 2.152 0 40 DEAB COc1cc2c(cc1CNC1CCN(C(C)=O)CC1)O[C@H](C)C2 12796178 LOXSJYCESSYPCT-GFCCVEGCSA-N 318.417 2.119 0 40 DEAB Cn1cc([C@@H](C(=O)O)N2CCCC2)c2cc(C(=O)O)ccc21 36353792 NOTCZXMGIJURPW-AWEZNQCLSA-N 302.330 2.098 0 40 DEAB c1nc2c3c4c(sc3nc(NC[C@@H]3CCCO3)n2n1)CCC4 2395214 IYHIROWIKFENOX-VIFPVBQESA-N 315.402 2.419 0 40 DEAB O=C(c1cnn(C(=O)c2ccc(O)cc2)c1)c1ccccc1O 3418488 QWODNRUBTXOQTK-UHFFFAOYSA-N 308.293 2.214 0 40 DEAB C[C@@H](CCn1cncn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 90916701 OPDDOCKJICJAAH-KBPBESRZSA-N 323.441 2.046 0 40 DEAB CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccon2)c1 63974522 PGXDGVQHNWFSDU-UHFFFAOYSA-N 323.374 2.005 0 40 DEAB COc1ncc(Cl)c(N2CCC[C@@H](c3nc(C)no3)C2)n1 91454951 ASQUDWUYJRUCEN-SECBINFHSA-N 309.757 2.214 0 40 DEAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nncn2C)c1C 8314484 AJSSGHPYHYYFRZ-LLVKDONJSA-N 322.434 2.416 0 40 DEAB C[C@@H](CC(=O)NCC(=O)OCc1ccccc1)n1cccc1 69623180 LUUGFTVIDZYFTG-AWEZNQCLSA-N 300.358 2.299 0 40 DEAB CNC(=O)CN(C)Cc1c(-c2ccccc2)nc2sccn12 14269255 QDMKNHIANKNSQJ-UHFFFAOYSA-N 314.414 2.241 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4698602 OACTUHVDFYWCEF-XYOKQWHBSA-N 309.343 2.084 0 40 DEAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCc2c(ncn2C)C1 69740430 JKGLWINZAISFJK-CQSZACIVSA-N 324.428 2.146 0 40 DEAB CCc1[nH]ncc1C(=O)NCCc1nc2c(s1)CCCC2 69894416 HJQVOPIYPHFDDB-UHFFFAOYSA-N 304.419 2.280 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2ccc3cnncc3c2)CC1 408976895 GZMFANNPGJCBKZ-UHFFFAOYSA-N 313.357 2.045 0 40 DEAB O=C(CCc1nc(-c2cccnc2)no1)Nc1nccs1 15081896 QWJNCTCDLTUJMV-UHFFFAOYSA-N 301.331 2.159 0 40 DEAB Cc1noc(N)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 15374750 ZZEBCVLBXHPTEP-UHFFFAOYSA-N 317.345 2.358 0 40 DEAB CN(C[C@@H]1Cc2ccccc2O1)c1ccc(-c2nccn2C)nn1 67431799 OOSAOBRETXJXMP-AWEZNQCLSA-N 321.384 2.317 0 40 DEAB O=C(NC1CC1)c1ccc(=O)n(Cc2ccccc2Cl)c1 8937432 DIVXOCWXSJCCRG-UHFFFAOYSA-N 302.761 2.442 0 40 DEAB O=C(c1ccccc1-n1cccn1)N1CCC[C@H]1Cn1cccn1 71866549 XFSMPLREPWSJHK-HNNXBMFYSA-N 321.384 2.374 0 40 DEAB COc1ccc(C(=O)N[C@@H]2CCCc3cn(C(C)C)nc32)nn1 96002848 QXAFZJSMTXFLHY-GFCCVEGCSA-N 315.377 2.070 0 40 DEAB CCOC1CCN(C(=O)c2cc3c(C)nn(C)c3nc2C)CC1 71820701 SCGCEXHLCNPKMA-UHFFFAOYSA-N 316.405 2.226 0 40 DEAB c1csc(-c2n[nH]c(CSc3ncnc4nc[nH]c34)n2)c1 93904103 UUFWWATXJCFTQS-UHFFFAOYSA-N 315.387 2.492 0 40 DEAB COc1ccnc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c1 83984317 PDNFAKOTQWOHLN-ZDUSSCGKSA-N 314.345 2.328 0 40 DEAB Cc1ccc([C@H]2C[C@H]2C(=O)N2CCc3nnc(N)cc3C2)s1 72279502 GMVBTGDQEYTPBZ-NWDGAFQWSA-N 314.414 2.117 0 40 DEAB CO[C@@](C)(C(=O)N[C@H]1CCc2nc(C)cn2C1)c1ccccc1 72270303 UXERZMUAPGYKKF-MAUKXSAKSA-N 313.401 2.184 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)N(C)CCCn2ccnc2)C12CCC2 89985736 SMBHMJSQNSVZLJ-HUUCEWRRSA-N 320.437 2.262 0 40 DEAB C[C@@H](c1ccsc1)N1CCN(C(=O)NC2CCOCC2)CC1 97142581 HJYQJJHQQXRKKP-ZDUSSCGKSA-N 323.462 2.315 0 40 DEAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)CNC(=O)c1ccco1 95429607 ZQTLDLPHMLOVEL-LLVKDONJSA-N 316.332 2.294 0 40 DEAB CCCc1sc(C(=O)N2CCOC[C@H]2C(=O)O)cc1CC 88374390 PVDURIBAAFNDBD-NSHDSACASA-N 311.403 2.189 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)[C@H](C)CO)nn1-c1cccc(F)c1 95989147 REIAZTMEUKCCDK-PWSUYJOCSA-N 320.368 2.458 0 40 DEAB COc1ccc([C@H](C)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1F 95985157 YQZBMXYABFSFJB-NORZTCDRSA-N 324.396 2.121 0 40 DEAB CN(Cc1cccnc1)C[C@H]1CCCN(c2ncc(F)cn2)C1 95972394 MNCCKGODWOWECR-OAHLLOKOSA-N 315.396 2.359 0 40 DEAB Cc1ccc(CC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)cc1 95980351 UNJYMTAKCKOFKY-INIZCTEOSA-N 313.401 2.478 0 40 DEAB Cc1cccc(OC[C@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 95972693 SMZPHJMOQPFCLU-JKSUJKDBSA-N 315.417 2.337 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H](C)c1ccccn1 78940066 XCJVLFNFKAYMFI-DGCLKSJQSA-N 315.421 2.423 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(CC)o1)CC2 89286533 QPJYVDXXTMMWGI-HUUCEWRRSA-N 307.390 2.234 0 40 DEAB C[C@@H]1CCC[C@H](O[C@H](C)C(=O)NCCNC(=O)C2CCCC2)C1 110597421 BRZKPIUSQYAFTP-FMKPAKJESA-N 324.465 2.393 0 40 DEAB CC(C)c1csc(NC(=O)c2ccc(-n3cnnn3)cc2)n1 21470831 NDUNEIWUVJXYOP-UHFFFAOYSA-N 314.374 2.495 0 40 DEAB CCn1nc(CNC2(COC)CCOCC2)c2ccccc21 552083538 LFWJAHMUKZWJJK-UHFFFAOYSA-N 303.406 2.341 0 40 DEAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2cccnc2)C1 36358757 GUTONLCWSBXLOP-NSHDSACASA-N 316.386 2.498 0 40 DEAB COCc1nn2c(C)c(C(=O)OC)nnc2c1-c1ccccc1 39963876 OYDGONDXCXUVPF-UHFFFAOYSA-N 312.329 2.033 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)CC(C)(C)c1ccccc1 79094620 SSIBLMDIJYVTNI-ZDUSSCGKSA-N 311.447 2.294 0 40 DEAB O=C(O)COC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79390217 ZPKYCQCWJZNSGF-AWEZNQCLSA-N 307.346 2.136 0 40 DEAB O=C(NCC[C@@H]1CCCCN1C(=O)c1cc[nH]n1)C1CCCC1 72355255 CKFOJPYLSYVUMQ-AWEZNQCLSA-N 318.421 2.101 0 40 DEAB C[S@](=O)c1nncn1Cc1csc(-c2ccccc2F)n1 78995823 FTCLSUZDOXTDKK-OAQYLSRUSA-N 322.390 2.326 0 40 DEAB CC(C)Oc1ccc(CN2C[C@H]3C[C@@H](O)CN3C[C@H]2C)cc1 72324823 UTQHYDCGENFTLV-DJIMGWMZSA-N 304.434 2.113 0 40 DEAB O=C(NCCC[C@H]1CCCC[C@H]1O)c1cccc2nn[nH]c12 225482177 CLWQSOXRCQFGFN-BXUZGUMPSA-N 302.378 2.019 0 40 DEAB Cc1ccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)cc1 224264568 GPLLWJIFVALXJQ-UHFFFAOYSA-N 313.361 2.266 0 40 DEAB CCCn1nccc1C(=O)N1CCCC[C@@H]1c1nc(C)no1 41122678 FHGQGDCIVMMOAY-GFCCVEGCSA-N 303.366 2.352 0 40 DEAB CN(CC(N)=O)c1nc(-c2ccc(Cl)s2)nc2c1CCC2 521398509 LFJCAPNCCYDIBB-UHFFFAOYSA-N 322.821 2.269 0 40 DEAB C[C@@H](C(=O)N1CCCC[C@H]1c1nc(O)n[nH]1)c1ccccc1 329163227 GJKORNYNOHZGHL-YPMHNXCESA-N 300.362 2.368 0 40 DEAB CC[C@H](CNC(=O)N1CCC(CN)(c2ccccc2)CC1)OC 1577083976 KXIFZZXUEOGHNZ-MRXNPFEDSA-N 319.449 2.114 0 40 DEAB CC(C)C(CNC(=O)NCC1(N(C)C)CCOCC1)C(C)C 194841629 XAOVMJWMKMAOQJ-UHFFFAOYSA-N 313.486 2.325 0 40 DEAB O=C(NCCCn1ccnc1)c1cn(-c2ccc(F)cc2)cn1 227115354 PCKJDYFUEWTKNP-UHFFFAOYSA-N 313.336 2.028 0 40 DEAB CC[C@H](C)c1noc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 41122087 URAFEIXZFHDQSD-WCQYABFASA-N 307.394 2.468 0 40 DEAB O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CCCO1 61569015 ZUXKTKNUNYQHJF-OAHLLOKOSA-N 308.447 2.255 0 40 DEAB CS(=O)(=O)c1cc(NC(=O)c2cscn2)ccc1Cl 191418643 BSNFRPCYGARCOJ-UHFFFAOYSA-N 316.791 2.452 0 40 DEAB COCCn1cc(NC(=O)c2cc(C)cc(F)c2)ccc1=O 96476499 PLICHXRVSPIPJE-UHFFFAOYSA-N 304.321 2.195 0 40 DEAB O=C1C[C@]2(CCN(c3ncccn3)C2)CN1c1cccc(F)c1 96050735 JNZWOLDUEMERSF-KRWDZBQOSA-N 312.348 2.249 0 40 DEAB c1cncc(O[C@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)c1 96205976 WOLOYFHMIWZTCD-ZBFHGGJFSA-N 317.414 2.351 0 40 DEAB CCc1ncc(S(=O)(=O)N2CCCc3ncccc32)s1 333375276 DSKXPSKVWYGAAH-UHFFFAOYSA-N 309.416 2.242 0 40 DEAB Cc1ccccc1C(=O)[C@@](C)(Br)S(C)(=O)=O 96518607 SEMFMXHOSFEYSP-NSHDSACASA-N 305.193 2.333 0 40 DEAB CCOC[C@@H]1COCCC12CCN(C(=O)c1cscn1)CC2 96106398 BQPGRQSGNNSGGH-CYBMUJFWSA-N 324.446 2.439 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2ncn(C)c21 96044836 CJXBAXSFOBCVRJ-ZDUSSCGKSA-N 316.405 2.141 0 40 DEAB C[C@@H](C1CC1)N(C(=O)CS(=O)(=O)c1cccs1)C1CC1 96451873 YLWJDWIUHPOZIN-JTQLQIEISA-N 313.444 2.311 0 40 DEAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1cccs1 245289866 FUDXAWKHDIPSMN-UOVKNHIHSA-N 307.415 2.385 0 40 DEAB CCCCc1nc(CN2CCO[C@@H](c3nc(C)cn3C)C2)c[nH]1 257228041 FSAWZQCSGLXBNJ-OAHLLOKOSA-N 317.437 2.368 0 40 DEAB CCCn1nccc1-c1cnc([C@H]2CCCN(C(C)=O)C2)cn1 257318931 VPZOBPKFUUBYPM-AWEZNQCLSA-N 313.405 2.476 0 40 DEAB Cn1cc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cn1 257307811 TUFLQUYBVOREOW-HALDLXJZSA-N 311.385 2.350 0 40 DEAB COc1cc(N2CCC[C@@H](Oc3ncccc3F)C2)ncn1 278709880 JCYDLKVPFXMBFQ-LLVKDONJSA-N 304.325 2.067 0 40 DEAB Cc1ccccc1[C@H]1CN(Cc2ncccc2C)[C@H](CO)[C@@H]1O 585294552 IHKREFBGKANHJQ-BHIYHBOVSA-N 312.413 2.020 0 40 DEAB c1ccc(CN2Cc3ccnn3[C@H](COc3ccccn3)C2)nc1 585112310 OJZLQIXDFPNTPX-KRWDZBQOSA-N 321.384 2.309 0 40 DEAB CC(C)[C@]1(C)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 51382089 AIVFLGKLWHWJDG-WFASDCNBSA-N 310.781 2.340 0 40 DEAB CCNC(=O)[C@@H]1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1 65498123 JLIOBHVAUMXZKT-LLVKDONJSA-N 323.462 2.429 0 40 DEAB COc1ncccc1NC(=O)c1ccc(N2CCOCC2)cc1 63936720 NPRYBNMRYYRNAU-UHFFFAOYSA-N 313.357 2.179 0 40 DEAB O=C(NCc1ccccc1OCc1ccccc1)c1cnn[nH]1 69416167 RZJBQTKYBMKBCN-UHFFFAOYSA-N 308.341 2.314 0 40 DEAB C[C@@H]1CCN(C(=O)c2ccc(O)cc2O)C[C@@H]1n1ccnc1 97059787 RMIGOHKHFOKPKX-RISCZKNCSA-N 301.346 2.018 0 40 DEAB O[C@@H](CSCc1ccccc1Cl)CN1CCOCC1 190677900 KFRCEYVDXWWCKG-CYBMUJFWSA-N 301.839 2.266 0 40 DEAB O=C(Nc1ccccc1F)N[C@H]1CCN(C2CCOCC2)C1 1202010415 ZAJWXLCTCNDSAJ-LBPRGKRZSA-N 307.369 2.201 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NCc2cccs2)cc1 5929570 PUXLUZUFZJGAGS-UHFFFAOYSA-N 310.400 2.245 0 40 DEAB Cc1ccc(C)c(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 13999942 LQHKTXSSOCDZMI-OFQRWUPVSA-N 315.417 2.031 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1ccc(F)cc1Br 169192512 IMVLMFRBXRCINK-ZANVPECISA-N 302.187 2.491 0 40 DEAB CC(C)c1nccc(N2CCN(C(=O)c3ccco3)CC2)n1 106464404 KAOGVZURYWLWMF-UHFFFAOYSA-N 300.362 2.155 0 40 DEAB COc1cc2c(cc1OC)CN(c1ccc3nccn3n1)CC2 1888876210 JFSSWDSKMRJMFL-UHFFFAOYSA-N 310.357 2.309 0 40 DEAB COc1cccc(-c2noc(C(=O)NCc3ccncc3)n2)c1 1428897 LOSIXRHPPONAOQ-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB CCC(CC)CN1CCC(C(=O)N(C)C)(n2ccnc2)CC1 2055704334 NGUMOZUEZZJHQS-UHFFFAOYSA-N 306.454 2.199 0 40 DEAB C=CC(=O)N1CC[C@H](c2cc(Nc3ccccn3)nc(C)n2)C1 585292625 PTVBPRCPDLZHAC-ZDUSSCGKSA-N 309.373 2.426 0 40 DEAB CSc1nccc(N2CCC[C@@H](COc3cnccn3)C2)n1 2298187930 QSENRMBADPHJMW-GFCCVEGCSA-N 317.418 2.284 0 40 DEAB CN(C)C(C)(C)CNC(=O)Cc1csc(-c2ccccn2)n1 40473777 LEQKLOHSUXUKSF-UHFFFAOYSA-N 318.446 2.204 0 40 DEAB Cc1cc(C)n(-c2ccccc2CNC(=O)Cc2cc(C)[nH]n2)n1 89599157 QJQKSCWGKLPAKY-UHFFFAOYSA-N 323.400 2.380 0 40 DEAB Cc1c(C(=O)N2CCN(c3cnccn3)CC2)oc2ccccc12 11086440 GBTPACOGNOFASR-UHFFFAOYSA-N 322.368 2.494 0 40 DEAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)NC1CCCCC1 2482606 BIKCJVMIGIXVFQ-SUMWQHHRSA-N 309.406 2.326 0 40 DEAB biogenic C[C@]1(c2cccc(NC(=O)c3cccs3)c2)NC(=O)NC1=O 40535864 UFBODBVFMSUCSV-OAHLLOKOSA-N 315.354 2.055 0 40 DEAB Cn1c(=O)c(C[C@@H](O)C(Cl)(Cl)Cl)nc2ccccc21 1556712 XDKFGMKADKDCBJ-SNVBAGLBSA-N 321.591 2.207 0 40 DEAB COCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8476517 BPUYYFBAJNGMBQ-UHFFFAOYSA-N 322.368 2.311 0 40 DEAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nnc3n2CCCC3)C1(C)C 41140541 HZDYJTVCLIGMHD-DOMZBBRYSA-N 302.422 2.469 0 40 DEAB Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)n(C)n1 32828102 HRIFCGIMAZROBY-UHFFFAOYSA-N 316.386 2.415 0 40 DEAB CN(CCOc1ccccc1Cl)C(=O)c1ccc(=O)[nH]c1 21961417 KIYXEQDOWGELHF-UHFFFAOYSA-N 306.749 2.179 0 40 DEAB CCCN(CC)c1ccc(C(=O)NCc2nncn2CC)cc1 75126351 LUWQFIZDSTUAMR-UHFFFAOYSA-N 315.421 2.464 0 40 DEAB C[C@@H](NC(=O)CCNC(=O)c1ccco1)[C@H]1C[C@H]2CC[C@H]1C2 104657479 FFGIXKFWQSAGPK-ZOBORPQBSA-N 304.390 2.340 0 40 DEAB c1ccc2sc(N3CCO[C@@H](Cn4cccn4)C3)nc2c1 69392054 SVKGCPPCBDJOEG-GFCCVEGCSA-N 300.387 2.398 0 40 DEAB CCOc1cccc(CNCC2CCN(C[C@H](C)O)CC2)c1 69347350 AQHTXHCDKCZSJH-HNNXBMFYSA-N 306.450 2.268 0 40 DEAB CCN(Cc1ccccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 69323375 SDVAKKZTQHRQLS-OAHLLOKOSA-N 311.447 2.483 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 47464208 MTPMDDSNMFUKKK-UHFFFAOYSA-N 301.173 2.298 0 40 DEAB C[C@H](C(=O)NOCc1ccccc1)n1c(=O)oc2ccccc21 25039185 QSRZGQBTDBDHTL-GFCCVEGCSA-N 312.325 2.404 0 40 DEAB COCC(=O)Nc1cnn(Cc2ccc(Br)cc2)c1 27920933 LBVUTHILEZGIPD-UHFFFAOYSA-N 324.178 2.279 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@@H](C)S(C)(=O)=O 44687930 HPUXEIHYYJQGCY-PWSUYJOCSA-N 313.419 2.151 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1 44895000 QYHVVIOMCZUTKS-AAEUAGOBSA-N 314.389 2.190 0 40 DEAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCc2ccccc2C1 58281551 MGSOMCFDFFIAIO-IAGOWNOFSA-N 314.429 2.307 0 40 DEAB O=C(NCc1cccc(F)c1)NCc1nnc2n1CCCCC2 44914899 FTSIKODHHPVQBE-UHFFFAOYSA-N 317.368 2.143 0 40 DEAB O=C(Nc1cn[nH]c1)c1cc(Br)c2c(c1)OCCO2 58322872 HKEAYFNWZVACPJ-UHFFFAOYSA-N 324.134 2.196 0 40 DEAB C[C@H](NC(=O)NCCCn1cncn1)c1cccc(Cl)c1 47893135 KAKOBJKKWSWYHZ-NSHDSACASA-N 307.785 2.382 0 40 DEAB CNC(=O)[C@@H](Sc1ncnc2c1oc1ccccc12)C(C)=O 2381108 MNXUFGUFNZSLCG-ZDUSSCGKSA-N 315.354 2.172 0 40 DEAB O=C1CN(CC(=O)Nc2c(F)cccc2F)c2ccccc2N1 3534300 JWSHODCUHCILCZ-UHFFFAOYSA-N 317.295 2.362 0 40 DEAB COCCNC(=O)N(C)Cc1csc(Br)c1 48963576 QURUSNUGYXUPFN-UHFFFAOYSA-N 307.213 2.298 0 40 DEAB C[C@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 3888135 UEQADXFKBJNFCS-JTQLQIEISA-N 321.354 2.239 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccccc2)c1 8401533 NHKNFHJJIREQNU-GFCCVEGCSA-N 318.398 2.086 0 40 DEAB COCCn1nnnc1[C@@H](c1cccs1)N1CCCCCC1 20098571 XORFODNKZDWAST-CQSZACIVSA-N 321.450 2.346 0 40 DEAB CCCCn1c(SCc2ccc3c(c2)OCCO3)n[nH]c1=O 64338794 PKKSXMBAGMCJHJ-UHFFFAOYSA-N 321.402 2.435 0 40 DEAB NC(=O)N1CCCN(Cc2cc(F)cc(C(F)(F)F)c2)CC1 92754221 KEQGHEDRPDHHHC-UHFFFAOYSA-N 319.302 2.431 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CCC[C@H](Cn2cncn2)C1 69630443 DCHVRUQOBOLNDY-NEPJUHHUSA-N 302.382 2.012 0 40 DEAB Cc1ccccc1OCCN1CCN(C[C@H](O)C(C)(C)C)CC1 69624330 IOSYSFKVBCFOKE-SFHVURJKSA-N 320.477 2.398 0 40 DEAB Cc1ccccc1CNC(=O)c1nn(C)c(=O)c2ccccc12 5089793 YDRUZBRXPLKAOW-UHFFFAOYSA-N 307.353 2.172 0 40 DEAB CC(C)Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1 6173440 BGEWLDNJLCIOCV-UHFFFAOYSA-N 310.400 2.103 0 40 DEAB CN1CCc2ncnc(N(C)CCc3ccc(F)cc3)c2C1 65466764 YPSCDZLGMBZZMG-UHFFFAOYSA-N 300.381 2.283 0 40 DEAB COC[C@@H](C)NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 65428154 ZELIVJDKFSSAGD-OCCSQVGLSA-N 320.389 2.339 0 40 DEAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)cc1 5324620 RMCFYJMFLYGNHJ-XYOKQWHBSA-N 321.354 2.295 0 40 DEAB Cc1ccc(NS(=O)(=O)c2cn[nH]c2)cc1OCC(F)F 65611626 HVCQTBAYUUPOQH-UHFFFAOYSA-N 317.317 2.163 0 40 DEAB Cc1occc1C(=O)N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1 69894242 RZENRCVAKFGMPV-HNNXBMFYSA-N 324.340 2.421 0 40 DEAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1noc(CC(C)C)n1 69978937 HEMNDIAKECCZFP-CABCVRRESA-N 320.437 2.243 0 40 DEAB Cc1nn(CCNS(=O)(=O)c2ccccc2)c(C)c1Cl 8714491 DGMIFLZAEKYOKC-UHFFFAOYSA-N 313.810 2.132 0 40 DEAB O=C(NCCS(=O)(=O)c1ccccc1)N1CCCCCCC1 80068724 GEISJVYLVXZCQX-UHFFFAOYSA-N 324.446 2.436 0 40 DEAB O=S(=O)(NCc1ccnc(OCC2CC2)c1)c1ccccc1 67405078 TTWXEVCLCSGCDO-UHFFFAOYSA-N 318.398 2.349 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1cccc(Cl)c1 80496855 DKWUHDMYJRCKPQ-DGCLKSJQSA-N 312.797 2.274 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2ccccc2F)o1 7648888 MCNKYMPVJSLICH-JTQLQIEISA-N 304.321 2.340 0 40 DEAB COc1ccc(NC(=O)NCc2cn3c(C)cccc3n2)cn1 69037348 APKHTOIJRKXZPM-UHFFFAOYSA-N 311.345 2.368 0 40 DEAB CC(C)(C)[C@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 96407297 RCOYWFFZTQEKLO-KGLIPLIRSA-N 315.479 2.486 0 40 DEAB CN(C)c1nnc(SC2CCC3(CC2)OCCO3)s1 96010433 YVUOICDTIRTBHO-UHFFFAOYSA-N 301.437 2.382 0 40 DEAB COc1cccc(N2Cc3nn(C4CCCC4)c(=O)n3C2=O)c1 1547201088 JIYUQNIVQJVEJH-UHFFFAOYSA-N 314.345 2.157 0 40 DEAB O=C1N(c2ccccc2)Cc2nn(CCc3ccccc3)c(=O)n21 1547200994 GBHUZBJDJUEHOQ-UHFFFAOYSA-N 320.352 2.276 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)c1cc(F)c(Cl)nc1Cl)C(N)=O 71799822 WPPSEPAHIYTLQW-SVGQVSJJSA-N 322.167 2.157 0 40 DEAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccc3c(c1)OCO3)C2=O 9591401 JFQRLBIXPNHINS-GTNSWQLSSA-N 316.357 2.416 0 40 DEAB CC(=O)N1CC[C@@H](CN(C)C(=O)[C@H](C)Oc2cccc(C)c2)C1 89672895 UNXAGJJZMSFRIC-HOCLYGCPSA-N 318.417 2.089 0 40 DEAB Cc1occc1C(=O)N1CCN(CCC(=O)OC(C)(C)C)CC1 71819484 SRBIXJFKRMKDAG-UHFFFAOYSA-N 322.405 2.078 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)OCCO[C@H]2CCCC[C@@H]2C)c1C 71850396 FLZYWEIWRNLKSJ-FZMZJTMJSA-N 322.405 2.149 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cccnc1 71883052 SWARRFAYBOWYGM-CYBMUJFWSA-N 303.312 2.369 0 40 DEAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CC1(O)CCCCC1 71825004 FJTHYEKKMICDKE-GOSISDBHSA-N 314.385 2.075 0 40 DEAB CN(CCN1CCCC1)C(=O)C[C@H]1CCOc2ccccc21 71910554 UMLYLUHIEFONSF-OAHLLOKOSA-N 302.418 2.497 0 40 DEAB Nc1nc(CS[C@@H]2CCCCNC2=O)nc2ccccc12 72275807 LLAFEUBLWGENRD-GFCCVEGCSA-N 302.403 2.114 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)no1 72231932 NMNMWNLOISQCEC-CQSZACIVSA-N 300.362 2.112 0 40 DEAB CO[C@](C)(C(=O)N[C@@H]1CCc2nc(C)cn2C1)c1ccccc1 72270306 UXERZMUAPGYKKF-QAPCUYQASA-N 313.401 2.184 0 40 DEAB c1csc(-c2n[nH]cc2CN2CCCC3(C2)OCCO3)c1 97058855 ARALHCGWQDGXKZ-UHFFFAOYSA-N 305.403 2.477 0 40 DEAB O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)cc2Cl)C1 97063062 UPKVJGXCZACHNV-APPZFPTMSA-N 321.757 2.011 0 40 DEAB O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@H](O)C1 97100555 HRPMJRSSZQDOQM-WRWORJQWSA-N 324.249 2.344 0 40 DEAB CCn1ccnc1CNC[C@@H](c1cccs1)N1CCOCC1 72301261 OFMQHUGNVSGBNF-AWEZNQCLSA-N 320.462 2.128 0 40 DEAB O=c1cc(CN(Cc2ccccc2)CC(F)F)[nH]c2ccnn12 84535702 ZBGCRLFEIHTBPV-UHFFFAOYSA-N 318.327 2.290 0 40 DEAB O=C(c1ccn2ccnc2c1)N(CCO)Cc1ccsc1 95441454 VYZFVFIKMOGBOO-UHFFFAOYSA-N 301.371 2.031 0 40 DEAB CC[C@@H](CS(=O)(=O)c1ccccc1)NCc1ccccn1 95434270 WHSDWGULNQFZPZ-AWEZNQCLSA-N 304.415 2.424 0 40 DEAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccsc1 95437831 ZEPJNUZNZZWACJ-CYBMUJFWSA-N 307.346 2.401 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)s1 78973797 RDIGCVZOKDHUTA-AAEUAGOBSA-N 323.462 2.285 0 40 DEAB COC(=O)[C@H](NC(=O)C1=CCCCO1)c1ccccc1Cl 74226730 NOPKQXGUGVQEEF-CYBMUJFWSA-N 309.749 2.365 0 40 DEAB Cc1ccccc1CNC(=O)Nc1cccc(C(=O)N(C)C)n1 75094141 IBBVGPDJVYIDQU-UHFFFAOYSA-N 312.373 2.414 0 40 DEAB O=C(NCCN1CCOCC1)N(CC1CC1)C1CCCCC1 69719615 RFONVQMZDNQXPB-UHFFFAOYSA-N 309.454 2.073 0 40 DEAB CC(C)CNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20049216 DIJIVBLQGNJSSM-UHFFFAOYSA-N 304.799 2.097 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)[C@@H]2CCOC2)cc1 120117501 CDYFRMAYHKOFCQ-RRFJBIMHSA-N 311.447 2.172 0 40 DEAB CCOc1ccc(/C=C2/NC(=O)N(CC)C2=O)c(OCC)c1 409248033 FLMKCBCUDZCSAC-UKTHLTGXSA-N 304.346 2.397 0 40 DEAB O=C(Cc1ccc(F)cc1)N1[C@H]2CC[C@H]1[C@]1(CCCNC1=O)C2 306126115 DNIGGIANOIKDHB-MPGHIAIKSA-N 316.376 2.028 0 40 DEAB O=C(c1cc(-c2ccoc2)[nH]n1)N1CCC(c2ccncn2)CC1 556830921 ITNBJZYCCJOACS-UHFFFAOYSA-N 323.356 2.480 0 40 DEAB CN(CC(=O)O)CC1CCN(C(=O)OCc2ccccc2)CC1 79390916 NYUYHJLMARYDGW-UHFFFAOYSA-N 320.389 2.052 0 40 DEAB CC1CCC2(CC1)OC[C@@H](C(=O)O)N2C(=O)Cc1ccccc1 71979827 QBZPRDWYKOTSOQ-DBQDNQAGSA-N 317.385 2.448 0 40 DEAB CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)CC2(O)CCCCC2)C1 73761238 CJCGDZYBNUPSKZ-LSDHHAIUSA-N 324.465 2.271 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cnccn2)C1 72386169 HFFOIGNDVNSOFT-ZDUSSCGKSA-N 300.362 2.030 0 40 DEAB CNC(=O)c1cncc(/C=C/C(=O)N(C)CCc2ccccc2)c1 78876503 KIRXUJLVRHCWKO-CMDGGOBGSA-N 323.396 2.156 0 40 DEAB CN(CCO)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391660 ZSHOWMOZMRPPRU-JKSUJKDBSA-N 306.406 2.148 0 40 DEAB COC(=O)CS[C@@H]1CCN(C(=O)CSC2CCCC2)C1 217564279 APDOFZIVVUWQDJ-GFCCVEGCSA-N 317.476 2.169 0 40 DEAB CC(C)C(=O)Nc1cc(C(=O)N(C)Cc2cccs2)nn1C 46089010 WXQCUVJMBRIALS-UHFFFAOYSA-N 320.418 2.348 0 40 DEAB Cc1cc(C)cc(N2Cc3nc(N4CCOCC4)ncc3C2=O)c1 46088775 GVDLUKGBQYPSNM-UHFFFAOYSA-N 324.384 2.090 0 40 DEAB C[C@@H](NC(=O)C1CCC1)c1ccc(OCC(=O)NC2CC2)cc1 46336164 GLWQTCQETZVUID-GFCCVEGCSA-N 316.401 2.321 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675736 LLXDHEDUDHTVON-VIFPVBQESA-N 314.432 2.067 0 40 DEAB CC(C)Cn1cc(NC(=O)[C@@H]2NCCOc3ccccc32)cn1 1575673048 JCQLPVNULJGLHB-MRXNPFEDSA-N 314.389 2.201 0 40 DEAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@@]1(O)CCSC1 82967752 QOPWVKQTYOAVDM-INIZCTEOSA-N 318.398 2.248 0 40 DEAB CC(C)n1c(=O)sc2cc(S(=O)(=O)NC3CC3)ccc21 225706033 HKXPCQMNNXQRIC-UHFFFAOYSA-N 312.416 2.085 0 40 DEAB Cc1cc(CNC(=O)Nc2cc(F)cc(F)c2)nc(N(C)C)n1 191428229 ISTTURTZTKRCCK-UHFFFAOYSA-N 321.331 2.451 0 40 DEAB COCc1cnc2n1CCN(Cc1ccc3c(c1)OCO3)[C@@H]2C 96109526 NHSKGYSZRXVXHY-GFCCVEGCSA-N 315.373 2.335 0 40 DEAB COCC[C@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 247817062 BTYMHNOPFLWWJV-AWEZNQCLSA-N 319.401 2.433 0 40 DEAB Cc1cc2nccc(C3CCN(C(=O)c4cccn4C)CC3)n2n1 257245847 IRHMQKQUKPDIJH-UHFFFAOYSA-N 323.400 2.396 0 40 DEAB COc1cc(CCC(=O)N2CCC[C@H]2c2nc(C)cn2C)on1 257237301 HFXAOBGNTYIBDK-ZDUSSCGKSA-N 318.377 2.021 0 40 DEAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@H]1c1ccncn1 257335167 YIYBHKAJMIEFMR-HNNXBMFYSA-N 321.384 2.339 0 40 DEAB Cc1ccc(C[C@H]2CCCN(C(=O)Cn3ccnc3C)C2)cn1 257317418 VJRGIQBVUUFYRO-QGZVFWFLSA-N 312.417 2.376 0 40 DEAB CO[C@H]1CCCN(C(=O)c2cnc[nH]2)[C@H]1Cc1ccc(F)cc1 585274823 OSRUHJBPPLCICM-HOTGVXAUSA-N 317.364 2.411 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC[C@](O)(C(F)(F)F)C1 98013043 XXZUVGWRXJXTDX-GFCCVEGCSA-N 323.698 2.488 0 40 DEAB Cn1cc([C@@H]2CCCN2Cc2cn(-c3ccccc3)nn2)cn1 71797157 LSUOFFDDVKJQPS-KRWDZBQOSA-N 308.389 2.338 0 40 DEAB CCc1nsc(NC[C@@H](c2ccc(C)o2)N2CCOCC2)n1 80765772 LDNNPJXNPBBSRG-LBPRGKRZSA-N 322.434 2.487 0 40 DEAB CO[C@H]1CCCC[C@H]1NC(=O)NCCCc1c(C)noc1C 96461019 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DEAB Cc1nc(N[C@@H]2CCCNC2=O)c2c3c(sc2n1)CCC3 63993007 DHFHJZVGMYLEKY-SNVBAGLBSA-N 302.403 2.179 0 40 DEAB Nc1nc(CN2CCCC[C@@H]2Cn2cccn2)nc2ccccc12 69631944 KNOKYSZZDUPBIW-CQSZACIVSA-N 322.416 2.463 0 40 DEAB C[C@@H](CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1 69632231 HHQVUXJQNIHZJY-YJBOKZPZSA-N 316.445 2.300 0 40 DEAB COc1ccc(C(=O)[C@@H](C)Sc2nc(C)cc(=O)[nH]2)cc1 6143183 WFEILUZICRVPIR-SNVBAGLBSA-N 304.371 2.450 0 40 DEAB CCc1oc2ccccc2c1CN1C[C@@H](C(N)=O)O[C@H](C)C1 92006664 IEAZTYHOKMNWKB-BZNIZROVSA-N 302.374 2.070 0 40 DEAB CN(Cc1ccccn1)C(=O)c1ccccc1N1CCOCC1 69842940 FGAJYHUEMPKPIP-UHFFFAOYSA-N 311.385 2.190 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCC2)cc1 4372059 QUBSMYNKGLGIDA-ZDUSSCGKSA-N 322.430 2.050 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)C[C@@H]2C=CCC2)c1 69896272 CFVKRFGFGMCSHW-CQSZACIVSA-N 302.374 2.496 0 40 DEAB COCCCNC(=O)CN(C)C(=O)c1cc2ccccc2s1 65591939 FYVZHQCIWZNDNO-UHFFFAOYSA-N 320.414 2.126 0 40 DEAB Cc1csc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)n1 65541309 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307.741 2.060 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)Cc1c(C)noc1C 88269764 QHQYFSFMFMDDGK-TZMCWYRMSA-N 308.378 2.072 0 40 DEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H](C)C(=O)O 225476212 NDBCECKKWABTIB-SECBINFHSA-N 318.295 2.439 0 40 DEAB CCc1nc(CC)n(CC(=O)N(C)Cc2ccc(F)cc2)n1 84489968 MNGSBJDYWMXWKW-UHFFFAOYSA-N 304.369 2.201 0 40 DEAB Cn1ncnc1-c1cccc(OCCO[C@H]2CCCCO2)c1 225664562 DXSFJSXAEKHZMM-HNNXBMFYSA-N 303.362 2.404 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCCc2nncn2C2CC2)s1 96405466 GRLHMTWGAFNHNN-CHWSQXEVSA-N 316.430 2.445 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)Nc2cccn(C)c2=O)CC1 96435116 PGWWEECGFYYVGP-CYBMUJFWSA-N 307.394 2.198 0 40 DEAB Cc1nnnn1Cc1cc(Br)cc2cccnc12 96469660 BUCSPLRLBNWXQK-UHFFFAOYSA-N 304.151 2.341 0 40 DEAB O=C(c1ccncc1)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246176 CSZKHNVWUYYVCF-JKSUJKDBSA-N 308.385 2.075 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1N)[C@@H]1CCCN(C2CCC2)C1 333591657 PEJDPLPNHQCXEU-MUIFIZLQSA-N 322.497 2.209 0 40 DEAB CCOC(=O)[C@H]1CS[C@H](c2ccc(Br)o2)N1 98072864 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0 40 DEAB CN(C)CCCCN[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585290068 ZLKISWSNSLRDQB-RCCFBDPRSA-N 324.440 2.418 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccccc2Br)C1 62912614 GCPAOWAUHHMEHR-CYBMUJFWSA-N 312.163 2.386 0 40 DEAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)[nH]1 12417756 JDYDUSALXVAQRZ-NSHDSACASA-N 317.414 2.416 0 40 DEAB biogenic,in-vitro CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC 13610310 KYGFTNQGVMDZRC-GFCCVEGCSA-N 324.446 2.317 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c(OC)c1 13946985 NHKAJFZMGQCRKD-RYUDHWBXSA-N 313.419 2.370 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)NCCCn1ccnc1 13997873 QFVANSMTZXQMOO-UHFFFAOYSA-N 313.810 2.046 0 40 DEAB CCOc1ccc(CC(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1 245053428 OUACYQWFVKPEHK-DJIMGWMZSA-N 319.401 2.081 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)C(C)(C)C)c1 31408012 WOAPWDPZWODAGB-LLVKDONJSA-N 312.435 2.101 0 40 DEAB Brc1cc(CNCc2nnc3n2CCC3)cs1 30652310 UQDDJYBDXIEIOU-UHFFFAOYSA-N 313.224 2.338 0 40 DEAB Cn1cccc1C(=O)N1C[C@H](c2ccccc2)[C@H](c2ncon2)C1 238921048 TWROWSBNLXXHLW-HUUCEWRRSA-N 322.368 2.432 0 40 DEAB CCSc1ccccc1C(=O)N1C[C@@H](OC)C[C@@H]1C(=O)OC 225632009 AFWQXJBUUNLVTN-WCQYABFASA-N 323.414 2.201 0 40 DEAB Cc1ccc(S(=O)(=O)NCCc2cn3ccccc3n2)cc1 4248483 UCJIUBVUWSJTJG-UHFFFAOYSA-N 315.398 2.164 0 40 DEAB COC(=O)Cn1/c(=N/C(=O)c2ccco2)sc2ccccc21 100876271 RNOFLGXGLBZTMY-NXVVXOECSA-N 316.338 2.210 0 40 DEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1n[nH]c(Cc2ccccc2)n1 100473436 BZEIZDFJPIUMNA-BETUJISGSA-N 310.357 2.075 0 40 DEAB CC(C)CCN(C)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 45505750 OBPHSWWOXPPCRF-RMKNXTFCSA-N 304.390 2.068 0 40 DEAB C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)C1 68717006 CDFPBEUWKLZJDI-MNOVXSKESA-N 322.327 2.408 0 40 DEAB CCCNC(=O)C[S@@](=O)Cc1csc(-c2ccco2)n1 69439002 MNOCMFXDFVBYBR-HXUWFJFHSA-N 312.416 2.178 0 40 DEAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(CC)CC 1337949 LNEUZFBERRPFPK-UHFFFAOYSA-N 305.378 2.025 0 40 DEAB CC(NC(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F 2285601 QSEJOZAGULTILJ-UHFFFAOYSA-N 302.178 2.481 0 40 DEAB CCCn1c(=O)c(C(=O)Nc2cnccn2)c(O)c2ccccc21 100823764 DIJZRZNNQPKHLW-UHFFFAOYSA-N 324.340 2.159 0 40 DEAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OC 8469892 ICYAKBKYOIKHNI-UHFFFAOYSA-N 300.771 2.355 0 40 DEAB C[C@]1(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)CCOC1 96486073 AOXUXGZWIZYOQD-GUYCJALGSA-N 321.396 2.273 0 40 DEAB O[C@]1(c2ccccc2)[C@@H]2[C@@H]3[C@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H]([C@H]3C3OCCO3)[C@H]21 104202506 ZYWAORRECHWNCD-QATJKTSZSA-N 310.393 2.251 0 40 DEAB CCN1CCCC2(CCN(C(=O)c3csc(C)n3)CC2)C1=O 108535328 XYICJAWVBKXISU-UHFFFAOYSA-N 321.446 2.316 0 40 DEAB O=S(=O)(CCOc1ccccc1)NCCc1ccccc1 550106 YVLIMDRAXJVVSV-UHFFFAOYSA-N 305.399 2.228 0 40 DEAB Cn1ncc(CNC(=O)CCC2CC2)c1NC(=O)CCC1CC1 89741035 WEAGIBSFOBPWPF-UHFFFAOYSA-N 318.421 2.355 0 40 DEAB CNC(=O)c1ccc(Cn2nc(C)c(Br)c2C)o1 2787767 FZBKWLTWVNEATQ-UHFFFAOYSA-N 312.167 2.263 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ncccc2O)C1 22264871 GPBVUSYDTKDSTK-LLVKDONJSA-N 321.377 2.373 0 40 DEAB Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc(F)cc1F 46813510 MDMMCXFKUJVTFZ-UHFFFAOYSA-N 316.329 2.390 0 40 DEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1cnccc1O 103526153 JEWLTOSEUXVCMP-VDQHWBOFSA-N 302.374 2.447 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)on1 22693225 PIYVCFFOEWOKMO-SNVBAGLBSA-N 303.318 2.193 0 40 DEAB CCCCN1CCS(=O)(=O)c2c(Cl)c(F)nc(F)c21 12389676 QNMCSKSTZCRJDS-UHFFFAOYSA-N 310.753 2.407 0 40 DEAB Cc1cc(-n2cncn2)ccc1C(=O)n1cccc/c1=N\C(C)C 104245721 ZJLJNOSOTRMXTO-HEHNFIMWSA-N 321.384 2.375 0 40 DEAB COc1ncccc1NS(=O)(=O)c1ccc(F)c(F)c1 47521286 MNHLUPOSDMBGGV-UHFFFAOYSA-N 300.286 2.169 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2ccccn2)[C@@H]1c1cccc(F)c1 61720991 JKXUWGYKVZVOIT-BBRMVZONSA-N 313.332 2.379 0 40 DEAB Cc1cccnc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1299124 MKLHNTNNNBJYBJ-UHFFFAOYSA-N 321.336 2.219 0 40 DEAB Cc1cc(CN(C)C(=O)/C=C/c2c(C)nn(C)c2Cl)no1 25137959 OLSUCFPKNXZOFU-AATRIKPKSA-N 308.769 2.350 0 40 DEAB CC[C@@H]1CN(CCOc2cccc(C)c2)CCN1C[C@H](C)O 106906647 SAMFDMCCOVCRPX-DLBZAZTESA-N 306.450 2.151 0 40 DEAB COCCNC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1 170564450 VZIFHGMCMWMAFF-UHFFFAOYSA-N 300.362 2.213 0 40 DEAB COC(=O)C(C)(C)NC(=O)COc1ccc(C(F)(F)F)cc1 44489027 OPWLVHSYGFSZAJ-UHFFFAOYSA-N 319.279 2.152 0 40 DEAB CN(C)c1ccc(NC(=O)NC[C@@H]2Cc3ccccc3O2)cn1 48091389 GRIUYDIBMAQQIB-AWEZNQCLSA-N 312.373 2.273 0 40 DEAB CC(C)c1nn(C)cc1CNCCNC(=O)c1cccs1 44973844 TUAZWFCXAFMXCD-UHFFFAOYSA-N 306.435 2.125 0 40 DEAB Cn1cnnc1SCC(=O)N[C@@H]1CCCc2ccccc21 3395183 FLDAFTMDIPRLIP-CYBMUJFWSA-N 302.403 2.101 0 40 DEAB C[C@@H](NC[C@H](O)c1ccc(F)cc1)c1nnc2ccccn12 58341995 RSBYKGOIFKDEII-RISCZKNCSA-N 300.337 2.253 0 40 DEAB CN(C)C(=O)C[C@@H](NC(=O)c1ccnc(F)c1)c1ccccc1 58402068 OAJOCTJHNLWWEL-CQSZACIVSA-N 315.348 2.170 0 40 DEAB Cc1occc1C(=O)NCCNC(=O)c1ccccc1Cl 36396483 CIGYBVNOMLQTKW-UHFFFAOYSA-N 306.749 2.401 0 40 DEAB CNC(=O)c1cccc(N[C@H](C)C(=O)N2CCC(C)CC2)c1 36397399 XOLQMXDESTYWPU-CYBMUJFWSA-N 303.406 2.105 0 40 DEAB Cc1ccccc1NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 36394425 UJBYYEQHCLJSNR-ONGXEEELSA-N 300.280 2.391 0 40 DEAB O=C(CCn1cnc2sccc2c1=O)NCc1ccccc1 12750255 NVURMAWCSNVKGA-UHFFFAOYSA-N 313.382 2.165 0 40 DEAB Cc1cc(C(=O)CN2CCN(c3nccs3)CC2)c(C)[nH]1 48262199 IJLIMFIQLFNHHA-UHFFFAOYSA-N 304.419 2.093 0 40 DEAB C[C@H](NC(=O)NCCCn1cncn1)c1ccc(Cl)s1 48341379 ZAINFTVEUGUBFU-VIFPVBQESA-N 313.814 2.444 0 40 DEAB C[C@H](CN1CCCC1=O)NCc1csc(-c2ccccn2)n1 48382348 BZJPLWBYTXXOGS-GFCCVEGCSA-N 316.430 2.306 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@H](n2cccn2)C1 69327558 FVNIGIGGODHPJX-LBPRGKRZSA-N 311.345 2.344 0 40 DEAB CC(C)N(Cc1ccccc1)C(=O)N[C@H](C)c1nncn1C 69350915 IZGUHFONBSNZON-CYBMUJFWSA-N 301.394 2.496 0 40 DEAB O=C(COc1ccccc1C(=O)O)NCc1ccc(F)cc1 13080229 YMGGGLODONCCIW-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1C 8315182 XDOVTUCZOFDOPT-UHFFFAOYSA-N 310.810 2.364 0 40 DEAB CNC(=O)CN(C)C(=O)C1(c2cccc(C)c2)CCCCC1 63665043 UHYIGYYQOALZLA-UHFFFAOYSA-N 302.418 2.401 0 40 DEAB C[C@H](N)[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 70173156 XSJGOVNXORKRRQ-UWVGGRQHSA-N 312.211 2.044 0 40 DEAB NC(=O)COc1cccc(Cn2cc(-c3ccccc3)cn2)c1 63887538 LTSKOWLREITBDQ-UHFFFAOYSA-N 307.353 2.463 0 40 DEAB O=C(NCCCNC(=O)c1ccc[nH]c1=S)c1ccccc1 69663144 ZYDVFGAWAVZQAV-UHFFFAOYSA-N 315.398 2.294 0 40 DEAB CS(=O)(=O)c1ccc(-c2nc(Cn3ccnc3)cs2)cc1 69663574 WGOLMQQUWKYFMJ-UHFFFAOYSA-N 319.411 2.458 0 40 DEAB O=C(COn1nnc2ccc(Cl)cc21)NC1CCCCCC1 14352146 OGJFIRMDCBYARJ-UHFFFAOYSA-N 322.796 2.352 0 40 DEAB COc1ccc(NC(=O)NCCC(=O)Nc2ccccn2)cc1 14304617 QLBGZJBXXQZVBJ-UHFFFAOYSA-N 314.345 2.241 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3scnc3C)CC2)nn1 69778263 LOKXFXZEDMKQLO-UHFFFAOYSA-N 317.418 2.267 0 40 DEAB Cc1cc(C)c2nc(NS(=O)(=O)c3cnn(C)c3)sc2c1 66246934 NGPLZLWZHKNNPT-UHFFFAOYSA-N 322.415 2.447 0 40 DEAB Cc1ccc(C(=O)NCCCNC(=O)c2cccs2)cn1 4985732 KFORUKBQCKGPMX-UHFFFAOYSA-N 303.387 2.001 0 40 DEAB Cc1ccc(Cn2ccs/c2=N\C(=O)C2=COCCO2)cc1 15316532 WUQCEDIYWJCHRP-MSUUIHNZSA-N 316.382 2.222 0 40 DEAB Cc1ccccc1OCCN(C)S(=O)(=O)c1c(C)noc1C 15364192 MKVLOPKNGKYONG-UHFFFAOYSA-N 324.402 2.299 0 40 DEAB Cc1cc(C)n2nc(C(=O)N3C[C@H](C)Oc4ccccc43)nc2n1 69979864 FUFIIALXYMLXRK-LBPRGKRZSA-N 323.356 2.169 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)c1ccc(OCC(F)F)nc1 90396439 ADEGBEMWUNSRFJ-GFCCVEGCSA-N 314.332 2.367 0 40 DEAB CC(C)CC(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 19227971 QFPITPVUAMSIND-JTQLQIEISA-N 317.644 2.177 0 40 DEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC)cc1 9051455 VJWDFYQNHBUAEF-UHFFFAOYSA-N 318.398 2.261 0 40 DEAB Cc1n[nH]cc1CNC[C@@H](c1cccc(F)c1)N1CCOCC1 71834577 GMMPKCVKDRXCIN-KRWDZBQOSA-N 318.396 2.020 0 40 DEAB CC(C)=CCN1CCC(NC(=O)Cc2ccccc2O)CC1 71886038 PTNKWDSGCBFXMX-UHFFFAOYSA-N 302.418 2.482 0 40 DEAB CN(C[C@@H]1CCCCO1)c1ccc2nnc(C(F)(F)F)n2n1 71821700 ROIYBDXEEKNMQG-VIFPVBQESA-N 315.299 2.148 0 40 DEAB Cc1nn(C)cc1CN1CCC[C@H]1C(=O)NCC1CCCCC1 93765045 YLPBPGBEKBYTPD-KRWDZBQOSA-N 318.465 2.389 0 40 DEAB CC1(C)CN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CCO1 89919550 OAUAFCIHRXWWAC-MRXNPFEDSA-N 319.401 2.495 0 40 DEAB CN(C)C(=O)CCCC(=O)NC[C@@H]1CCCc2ccccc21 71905702 AGVPLEFYZBPDSQ-HNNXBMFYSA-N 302.418 2.481 0 40 DEAB CC[C@@H](C)CS(=O)(=O)NC[C@H](c1ccc(F)cc1)N(C)C 89942242 WFYFCMMTFUMPPL-IUODEOHRSA-N 316.442 2.394 0 40 DEAB Cc1ccc(C)c([C@@H](O)CN2CCC(C3OCCO3)CC2)c1 75684722 GMYUUFMOPRFTAQ-KRWDZBQOSA-N 305.418 2.422 0 40 DEAB C[C@@H](CCc1cccn1C)NC(=O)N[C@H]1CCN(CC2CC2)C1 76088509 ALAYQVRTZKSEKU-HOCLYGCPSA-N 318.465 2.130 0 40 DEAB NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2cnccc12 97009243 VDVCHSVGABMNFD-DOMZBBRYSA-N 319.430 2.031 0 40 DEAB Cc1ccc(NC(=O)Cc2noc(CC3(O)CCCC3)n2)cc1 97138578 WQZSWMWCDUYNNR-UHFFFAOYSA-N 315.373 2.407 0 40 DEAB COCC(=O)N[C@H](C(=O)N[C@@H](C)c1cc(C)ccc1C)C(C)C 78064387 XHFBBSVKFOZQNI-YOEHRIQHSA-N 320.433 2.268 0 40 DEAB Cc1cccc(NC(=O)N[C@H](C)C(=O)NCc2ccccc2)n1 97378692 HTUFEVZMVZROER-CYBMUJFWSA-N 312.373 2.216 0 40 DEAB O=C(NC[C@@H]1CCCN(C(=O)C2CC=CC2)C1)C1CC=CC1 84544131 YTOGVHGRQJBWEC-AWEZNQCLSA-N 302.418 2.274 0 40 DEAB COc1ccccc1NC(=O)NCC1(O)CCN(C(C)C)CC1 84597480 OSAQHYXQAIYVJJ-UHFFFAOYSA-N 321.421 2.052 0 40 DEAB Cc1ccc(C)c([C@H](C)NC(=O)NC[C@@H](O)c2cnn(C)c2)c1 78939783 OCOHQEZOZHOTMA-XJKSGUPXSA-N 316.405 2.131 0 40 DEAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC2(C1)OCCO2 84718091 AYBUXEXEJLSAKK-SWLSCSKDSA-N 302.374 2.078 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)Nc1cccnc1OC 79100440 RUCQKYYDZUNYLP-NWDGAFQWSA-N 321.377 2.334 0 40 DEAB Cn1cccc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 95965357 DGBPXBXJOZRMEU-HNNXBMFYSA-N 312.369 2.139 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCC[C@H](Oc2ccc(Cl)cn2)C1 95996336 REZPAFGQMYGZBG-JSGCOSHPSA-N 311.813 2.088 0 40 DEAB O=C(NCCn1ccnc1)Nc1ccc(OC2CCCC2)nc1 171156933 JILFESRUASHDCU-UHFFFAOYSA-N 315.377 2.421 0 40 DEAB O=C(NCc1ccccc1F)C1CCN(C(=O)NC2CC2)CC1 32913073 FMLMSZNAURXPSX-UHFFFAOYSA-N 319.380 2.026 0 40 DEAB CS(=O)(=O)c1ccc(OCCNCc2cccc(F)c2)cc1 78602403 IJONQBSQGKTBTK-UHFFFAOYSA-N 323.389 2.398 0 40 DEAB Cc1nc2c(s1)[C@@H](N(C)C(=O)COC[C@@H]1CCCO1)CCC2 79093001 LHOOQSOAISSWDC-JSGCOSHPSA-N 324.446 2.483 0 40 DEAB 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Cc1noc(CCCC(=O)N[C@@H](C)CN(C)c2ccccc2)n1 71840953 IBXFVYXTXMAESI-ZDUSSCGKSA-N 316.405 2.342 0 40 DEAB CNC(=O)c1cccc(N2CC[C@H](c3ccccc3OC)C2)n1 83882348 XXTTVQLBQQPITK-ZDUSSCGKSA-N 311.385 2.444 0 40 DEAB Cc1ccc(NC(=O)COCC(=O)NC2CCCCC2)cc1 9669290 GKXCULGHUQGRGI-UHFFFAOYSA-N 304.390 2.399 0 40 DEAB O=S(=O)(C[C@H]1CCOC1)N1CCCc2cc(F)c(F)cc21 71910734 TWCDOHLNFISHDU-JTQLQIEISA-N 317.357 2.084 0 40 DEAB CC(C)Cc1ccc(CC(=O)NC[C@H](O)C2CCOCC2)cc1 71915016 ZTXHQWOLMXBCGK-SFHVURJKSA-N 319.445 2.331 0 40 DEAB Cc1csc([C@H]2CCCCN2C(=O)CCn2cncn2)n1 72273786 QFRLSNJNJOPVOE-GFCCVEGCSA-N 305.407 2.187 0 40 DEAB O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccccc1 72275941 CGSFTHPXJOXKDP-UHFFFAOYSA-N 314.370 2.127 0 40 DEAB CC[C@@H](CSC)NC(=O)N1CCN(Cc2ccccn2)CC1 97096592 GAHFKINHBYMKNH-AWEZNQCLSA-N 322.478 2.050 0 40 DEAB O=C(NCCn1ccnc1)N[C@H]1CCO[C@@H](c2ccccc2)C1 97142093 ANKJMEVJBARPPW-JKSUJKDBSA-N 314.389 2.103 0 40 DEAB C[C@H](C(=O)Nc1nccs1)N1CCC(c2cn[nH]c2)CC1 97203582 HHTKZOGOVKXJEX-SNVBAGLBSA-N 305.407 2.073 0 40 DEAB COc1cccc([C@H](C)CC(=O)NC(C)(C)C(=O)N(C)C)c1 84542795 WHVQJIYACGMRBG-GFCCVEGCSA-N 306.406 2.172 0 40 DEAB CN1CCN(c2ccc(F)cc2NC(=O)NC2CC=CC2)CC1 95414254 ILUXGLPWYUJQTO-UHFFFAOYSA-N 318.396 2.418 0 40 DEAB C[C@]1(CO)CCC[C@H]1NS(=O)(=O)c1cccc2cnccc12 95442318 QDQBXZYNNCISRL-HZPDHXFCSA-N 320.414 2.064 0 40 DEAB COc1cc2c(cc1CNC(=O)c1ccncc1F)O[C@H](C)C2 95430990 HZNXYVZCENGEGN-SNVBAGLBSA-N 316.332 2.483 0 40 DEAB CC(C)[C@@H](Nc1ccc2nccnc2n1)c1nnc2n1CCC2 95415009 KBTQVDMPJXHOCG-CQSZACIVSA-N 309.377 2.372 0 40 DEAB CCN1CCC[C@@H](NC(=O)/C=C/c2cnc3ccccc3n2)C1 78766507 SKOLIYAVPMFWJO-BOLDSZDNSA-N 310.401 2.244 0 40 DEAB CCC1(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)COC1 84735408 CCXAQTZYVZEIEV-CQSZACIVSA-N 318.373 2.169 0 40 DEAB O=C(Nc1ccccc1C(=O)N1CCCC1)NC1CCOCC1 95951275 GGECBRZVCCYGOD-UHFFFAOYSA-N 317.389 2.223 0 40 DEAB C[C@H](c1ccccn1)N1CCN(C(=O)CCc2ccncc2)CC1 95943416 MFPDRWSLOGKTOI-MRXNPFEDSA-N 324.428 2.315 0 40 DEAB CCc1nsc(N2CCCN(C(=O)NCC3CCC3)CC2)n1 89295550 HCNJDGMFXVWESW-UHFFFAOYSA-N 323.466 2.122 0 40 DEAB O=C(Cc1cncc2ccccc12)Nc1c[nH]nc1[C@H]1CCNC1 1553867551 QFKXUUPAAQBGPA-ZDUSSCGKSA-N 321.384 2.216 0 40 DEAB Cc1ccc2c(c1)OCCC[C@@H]2NCc1nnnn1CC1CC1 546723647 NTAXZCHHORAAFC-HNNXBMFYSA-N 313.405 2.395 0 40 DEAB Cc1ccc(/C=C\C(=O)O)cc1S(=O)(=O)Nc1cccnc1 33447405 NKGGSIBFKHLRGF-SREVYHEPSA-N 318.354 2.289 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCC(=O)N1Cc1cccs1 72239709 QLIYHKJJHZTEBG-CYBMUJFWSA-N 304.371 2.149 0 40 DEAB CC(C)Cc1nc(Cn2cccc(C(F)(F)F)c2=O)no1 32789404 LVFJLMKIHHKFCV-UHFFFAOYSA-N 301.268 2.497 0 40 DEAB COC[C@H](C)NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814842 YDNUGSVHZXIBHB-LBPRGKRZSA-N 303.362 2.129 0 40 DEAB Cc1cc(C)c(OCc2ncc(CCC(=O)O)c(=O)[nH]2)c(C)c1 223444998 GMPPGXSGZIDILH-UHFFFAOYSA-N 316.357 2.291 0 40 DEAB COc1ccc(-n2cc(CNC(=O)C3CCCC3)nn2)cc1 87424403 PFEKLUQQSNSQJB-UHFFFAOYSA-N 300.362 2.082 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@H](C)O[C@H](C)C3)cc(=O)oc12 16729400 DNLLXNSBTRHASX-PHIMTYICSA-N 303.358 2.416 0 40 DEAB biogenic NC(=O)[C@H]1CCN(c2cc(SCc3ccccc3)ncn2)C1 521396771 BJCGCMBLTLRYDD-ZDUSSCGKSA-N 314.414 2.081 0 40 DEAB COc1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 42646634 KFCSBKHWCBAZIV-WCQYABFASA-N 320.389 2.337 0 40 DEAB NC(=O)C1(NC(=O)c2ccc3ccc(Cl)cc3n2)CCCC1 84111326 BODZMZMTIOCRLA-UHFFFAOYSA-N 317.776 2.416 0 40 DEAB COc1ccccc1CCn1ccc2c(cnc3ccnn32)c1=O 40387540 OHABSXIZCZVSHF-UHFFFAOYSA-N 320.352 2.296 0 40 DEAB O=C(Cc1ccsc1)N[C@@H]1CCCN(c2ccccn2)C1 130944916 BFWBBYRLLSYKLV-CQSZACIVSA-N 301.415 2.471 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)Cc1cn2c(C)cccc2n1 96404563 BMOJFYMVRWMGNV-UHFFFAOYSA-N 319.386 2.363 0 40 DEAB COCCn1cc(CC(=O)Nc2ccn(C)n2)c2ccccc21 95474014 ZIELGFZITAHUDX-UHFFFAOYSA-N 312.373 2.202 0 40 DEAB CCN1C[C@@H](COC)[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 96216519 GDMQVBRYGKSGSP-FUHWJXTLSA-N 308.466 2.384 0 40 DEAB COCCCNC(=O)CN1CCC(Nc2cccc(C)c2)CC1 96483374 TZXDEMWYGWWJII-UHFFFAOYSA-N 319.449 2.024 0 40 DEAB Cc1cccn2c(CN3CCS[C@@H]4COCC[C@@H]43)cnc12 91856287 DFSYIMBNOAVPEW-LSDHHAIUSA-N 303.431 2.349 0 40 DEAB CC(C)c1n[nH]c(C(=O)NC2=NO[C@@H](C)C2)c1Br 95448374 QDNROHNCJMUERV-LURJTMIESA-N 315.171 2.148 0 40 DEAB O=S(=O)(CCn1ccc(C(F)(F)F)n1)c1ccccc1 95438751 PBQFVWHHNOUUCM-UHFFFAOYSA-N 304.293 2.376 0 40 DEAB Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1cccs1)C2 96045475 VSPFHIIBRZLSJL-ZDUSSCGKSA-N 318.446 2.403 0 40 DEAB Cc1ccc(OC[C@@H]2CO[C@@H]3CN(Cc4ccc[nH]4)C[C@H]23)cn1 96219257 ROHJZIBWHWETGG-ZTFGCOKTSA-N 313.401 2.244 0 40 DEAB C[C@@H]1C[C@@H](N(C)CCS(C)(=O)=O)CCN1Cc1ccccc1 96414946 LAUZNIWSDPQBLC-WBVHZDCISA-N 324.490 2.016 0 40 DEAB Oc1cc([C@H]2CCCCN2CC2CCOCC2)nc2nccn12 257222461 DTJZBMZBBBYTMH-OAHLLOKOSA-N 316.405 2.389 0 40 DEAB OC[C@]12CO[C@@H]([C@H]3CC=CCC3)N1[C@@H]([C@@H]1CC=CCC1)OC2 255189859 SPRUPSYFVXDQNB-MEWRGDBZSA-N 305.418 2.445 0 40 DEAB CS(=O)(=O)CC1(CN2CCc3c([nH]c4ccccc34)C2)CC1 535764722 MNEDXHMLWONPJO-UHFFFAOYSA-N 318.442 2.351 0 40 DEAB Cc1cccc(C[C@H]2CCCN(C(=O)Cn3ccnc3C)C2)n1 257342795 ZQEJWBGSDIZITJ-MRXNPFEDSA-N 312.417 2.376 0 40 DEAB C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1CC(C)(C)O 275670303 ZMCHOSZDNGZVOI-LLVKDONJSA-N 317.355 2.382 0 40 DEAB Cc1ncsc1C(=O)N[C@@H](C)c1nnc2n1CCCCC2 46777878 JXXLHJFJEJBERK-JTQLQIEISA-N 305.407 2.260 0 40 DEAB CCc1c(/C(O)=N/S(C)(=O)=O)cnn1-c1ccc(C)cc1 48487038 WBLDZAUZADTKJV-UHFFFAOYSA-N 307.375 2.007 0 40 DEAB O=C(NCc1nc(Cc2ccccc2)no1)Nc1cccnc1 58014633 GNLHESGSUXXQQW-UHFFFAOYSA-N 309.329 2.377 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)c2occc2C)CC1 69770407 CCQFIXJRJUBZHS-UHFFFAOYSA-N 316.405 2.153 0 40 DEAB C[C@@H](NCC(=O)Nc1ccc(Cl)cn1)[C@@H](C)n1cccn1 69902008 RBYCBBYTTIUKKL-GHMZBOCLSA-N 307.785 2.109 0 40 DEAB CN(C)C[C@H]1CN(Cc2cc(-c3cccs3)on2)CCO1 70016294 VSOVPYPEUQOPDP-ZDUSSCGKSA-N 307.419 2.166 0 40 DEAB CN(C)C(=O)CCCC(=O)NC[C@H]1CCCc2ccccc21 71905703 AGVPLEFYZBPDSQ-OAHLLOKOSA-N 302.418 2.481 0 40 DEAB Cc1cnc(CCNC(=O)c2cc([C@@H]3CCCN3)ccn2)s1 72365734 HUICGVZEWXWZLI-ZDUSSCGKSA-N 316.430 2.244 0 40 DEAB COc1ccccc1C1(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)CC1 76050846 FNZSOHORXYKYBB-DZGCQCFKSA-N 302.418 2.135 0 40 DEAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(Cl)cc2Cl)N1 5728840 LGYVQDIUZSVOPB-WDEREUQCSA-N 312.156 2.405 0 40 DEAB COc1cccc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)c1OC 5937264 FQQBRCHGWQKNQX-RYYBZQDPSA-N 305.374 2.353 0 40 DEAB O=C(O)C[C@@H](CS(=O)(=O)c1ccc(O)cc1)c1ccccc1 11919415 ZEQRZNHYZRYMQT-ZDUSSCGKSA-N 320.366 2.424 0 40 DEAB COc1ccc(OCCCC(=O)NCCCN2CCCC2)cc1 13674956 DVAOLOBDRPGLKB-UHFFFAOYSA-N 320.433 2.456 0 40 DEAB COCCCNC(=S)Nc1ccc(Br)cn1 13838094 DUDSKQXNURPMSX-UHFFFAOYSA-N 304.213 2.167 0 40 DEAB O=C(Nc1cccc(-n2cnnc2)c1)[C@H]1OCOc2ccccc21 19375085 KMVUXUZVQYFECQ-INIZCTEOSA-N 322.324 2.314 0 40 DEAB C[C@@](O)(CN1CCC(Oc2ccccc2Cl)CC1)C(=O)O 518547214 YXYVEGDHUMPXML-OAHLLOKOSA-N 313.781 2.019 0 40 DEAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)N1CCCCCC1 4317049 YAGOUXKZAVGPJH-UHFFFAOYSA-N 321.446 2.143 0 40 DEAB Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCC(N)=O)c1 4987899 HCKZVMDEDRVTRR-UHFFFAOYSA-N 311.337 2.177 0 40 DEAB COc1cccc(N2C(=O)N(C)c3ccccc3S2(=O)=O)c1 1888977237 IUSGUMDEZIYJBE-UHFFFAOYSA-N 318.354 2.460 0 40 DEAB O=S(=O)(NCc1cn2ccccc2n1)c1cc(F)ccc1F 2960998 ZRZCQJIGFLGMBU-UHFFFAOYSA-N 323.324 2.091 0 40 DEAB Cc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(=O)n2c1 9830091 JIBONGVQKPOURC-UHFFFAOYSA-N 319.364 2.201 0 40 DEAB Cc1ccc(-n2nnnc2CNC(=O)c2cccc(C)c2)cc1 10592404 RCGASEMMSCMQMA-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB O=C(Cn1cnc2ccccc21)NC[C@@H]1COc2ccccc21 346512374 OUYRVVSXIXLSJO-CYBMUJFWSA-N 307.353 2.329 0 40 DEAB O=C(CCCOc1ccccc1)Nc1ccc(-n2cnnn2)cc1 22373208 GSSKIFUSLRGARO-UHFFFAOYSA-N 323.356 2.460 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O 419828 NBAZQKAVFCIKDQ-GFCCVEGCSA-N 320.348 2.260 0 40 DEAB Cc1ccc(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)cc1 31546737 ALIUCCBXTBRFIA-UHFFFAOYSA-N 308.334 2.034 0 40 DEAB CCC(=O)Nc1c2c(nn1-c1ccccc1C)C[S@@](=O)C2 4105833 XRODZQCYYWETDF-OAQYLSRUSA-N 303.387 2.292 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)NCCc1ccccc1 245790 HQYZOCRUOVTJQB-UHFFFAOYSA-N 310.353 2.344 0 40 DEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1c[nH]c(C)n1 69816537 IRXMACBLTPSZEA-UHFFFAOYSA-N 303.362 2.398 0 40 DEAB Cc1cnc(NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)s1 32913054 WLKJOBVKQHCFEP-LLVKDONJSA-N 310.423 2.220 0 40 DEAB CCOC(=O)c1sc(N2CCNCC2)nc1-c1ccccc1 21986850 CTCIRCSKMRHDGN-UHFFFAOYSA-N 317.414 2.396 0 40 DEAB O=C(CCc1cscn1)N1CCCC[C@@H]1Cn1cccn1 69970248 YNCWJGXXOBVOBN-CQSZACIVSA-N 304.419 2.354 0 40 DEAB Cc1ncsc1C(=O)NCCNc1ncnc2sccc12 53018578 MCOYCRPBPVXZQE-UHFFFAOYSA-N 319.415 2.298 0 40 DEAB O=C(O)C1=C[C@H](c2ccccn2)n2nc(-c3ccccc3)nc2N1 102335855 AYVKAIDELPKURO-CQSZACIVSA-N 319.324 2.324 0 40 DEAB COCCCNC(=O)c1cnc(SC)n1-c1ccc(F)cc1 22688515 DXYNJFXCGLOSKA-UHFFFAOYSA-N 323.393 2.500 0 40 DEAB CCN(C(C)=O)c1nc(CN(C)Cc2cc(C)on2)cs1 42132213 CANQJNDQWUCWOT-UHFFFAOYSA-N 308.407 2.444 0 40 DEAB CCN(CC)C(=O)c1nnc2sc(-c3ccc(F)cc3)nn12 57354701 LMSHRKVVCIAHGU-UHFFFAOYSA-N 319.365 2.474 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N(CC1CCCCC1)C1CC1 56844734 JNXYVRHDSAAMSK-HNNXBMFYSA-N 307.438 2.409 0 40 DEAB Cc1cc(C)nc(N/C=C2/N=C(c3ccc(F)cc3)OC2=O)n1 100114357 ALJDODJJLLERIQ-MDWZMJQESA-N 312.304 2.489 0 40 DEAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1cccc(Cl)c1Cl 62712129 GOUZJTABMCCOGV-IUCAKERBSA-N 320.197 2.221 0 40 DEAB Cc1ccc(NC(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1 58023416 ZSNYQPFWVRKBHQ-CQSZACIVSA-N 302.378 2.017 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H]2CCN(C(C)C)C2)c1 58277942 FZXJHZVYERREGZ-ZBFHGGJFSA-N 318.417 2.255 0 40 DEAB Cn1c(C(=O)N[C@H](Cc2ccccc2)C(N)=O)cc2ccccc21 58332993 ZBEQSLNEMMBHTA-OAHLLOKOSA-N 321.380 2.005 0 40 DEAB COc1ccc(COC[C@@H](O)CNC(=O)[C@@H]2CC=CCC2)cc1 58401535 ILYOIIYASSCEMU-CVEARBPZSA-N 319.401 2.045 0 40 DEAB Cc1noc(CCNC(=O)Nc2nc3ccccc3s2)n1 58403861 JVUMKZDMHQXKTD-UHFFFAOYSA-N 303.347 2.352 0 40 DEAB COc1ccc2c(c1)CCCN2C(=O)NCCc1cnn(C)c1 48234773 NOPNESONBUKVCI-UHFFFAOYSA-N 314.389 2.134 0 40 DEAB Cn1nccc1CNC(=O)NCc1coc(-c2cccs2)n1 12985232 FORQDTZGNXGAHN-UHFFFAOYSA-N 317.374 2.136 0 40 DEAB CCOc1ccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)cc1 7738489 BHWIWXWYRODKEX-UHFFFAOYSA-N 313.313 2.476 0 40 DEAB CS(=O)(=O)c1cccc(NC(=O)NC2CCSCC2)c1 69590802 SZRNKSUTKMLODZ-UHFFFAOYSA-N 314.432 2.107 0 40 DEAB CC(=O)N1CCCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 16443789 PKEYBOVKKJYBEV-UHFFFAOYSA-N 314.389 2.099 0 40 DEAB O=S1(=O)CCN(C2CCCCC2)c2c(F)nc(F)c(F)c21 13692971 UTAGNEZDUTXJHP-UHFFFAOYSA-N 320.336 2.425 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)c1cc(=O)[nH]c2ccccc12 13687118 SULRFZPCVDWMPF-UHFFFAOYSA-N 322.320 2.187 0 40 DEAB O=C(Cc1ccc(Cl)cc1)NCCNC(=O)c1ccco1 5015409 RYIPJCICQQBKKY-UHFFFAOYSA-N 306.749 2.022 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1ccnc(-c3ccccc3)n1)CC2 69631273 CXENOTRNQVJEOW-INIZCTEOSA-N 320.400 2.148 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2c(c1)OCO2 14137614 BDLQSNDTEPLCLM-UHFFFAOYSA-N 313.309 2.416 0 40 DEAB CN(C)C1(CNc2ncnc3c2cnn3C)CCCCCC1 14262290 IVWBGEPZCZETTQ-UHFFFAOYSA-N 302.426 2.430 0 40 DEAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2OC)o1 8393182 NCPSPNQRCZDOLR-MRVPVSSYSA-N 324.358 2.407 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1OC)C(=O)O 6934279 PAUYLFWERLEVTJ-ZANVPECISA-N 310.350 2.325 0 40 DEAB biogenic CCOc1ccc(CN2CCC(N3CCN(C)CC3)CC2)cc1 19370383 TYPOSOHFCISUJO-UHFFFAOYSA-N 317.477 2.297 0 40 DEAB CCO[C@@H](C)c1noc(CNC(=O)NC[C@H]2CC=CCC2)n1 75112164 JNYJDTACKXRVQH-RYUDHWBXSA-N 308.382 2.323 0 40 DEAB CO[C@@](C)(C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccccc1 71882638 BNSVJRHRAXNISW-QGZVFWFLSA-N 316.332 2.425 0 40 DEAB CCn1c(CCNC(=O)CCc2ccsc2)n[nH]c1=S 71882427 YILFTGFYHXQAOU-UHFFFAOYSA-N 310.448 2.314 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H](n2ccnc2CC)C1 71870714 VTKITXWISXIVLN-LLVKDONJSA-N 319.434 2.337 0 40 DEAB Cc1ncsc1CNC(=O)NCCC(=O)N1CCCCCC1 71803957 SMAZSGKINXZNNP-UHFFFAOYSA-N 324.450 2.043 0 40 DEAB CCC(=O)NCC(=O)Nc1ccc(Sc2nncs2)cc1 71847185 IUVRFRWDDOOPSW-UHFFFAOYSA-N 322.415 2.154 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1ccon1)c1ccc2ccccc2c1 96009017 QZTAJAAWJSLUCJ-QGZVFWFLSA-N 324.336 2.401 0 40 DEAB COc1ccccc1NC(=O)c1ccccc1S(C)(=O)=O 9484164 XMHWEFGDFCSMRA-UHFFFAOYSA-N 305.355 2.351 0 40 DEAB O=C(OCc1cc(=O)n2ccccc2n1)c1cc(Cl)c[nH]1 9454682 YMOSDAUQPHPNIE-UHFFFAOYSA-N 303.705 2.033 0 40 DEAB O=C(Cc1ccc[nH]1)NCCNc1ccc(C(F)(F)F)cn1 89767986 UAWGYKSWFJFGGQ-UHFFFAOYSA-N 312.295 2.199 0 40 DEAB OC[C@H]1CCCN1c1cc(NCCc2cccs2)ncn1 72276003 AZNHCPNATATSRV-GFCCVEGCSA-N 304.419 2.154 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(C(=O)C[C@H]3C=CCC3)CCO2)n1 76045846 DUUYRAZUOGRULN-STQMWFEESA-N 304.394 2.013 0 40 DEAB Cc1cc(C)n(CCCNCc2cn(C)nc2-c2ccncc2)n1 97159695 XBFGDNMBIQWETI-UHFFFAOYSA-N 324.432 2.475 0 40 DEAB O=C(NCCCO)c1cc2ccccc2cc1NC(=O)C1CC1 97176103 IPTOMSWXCQZJAX-UHFFFAOYSA-N 312.369 2.301 0 40 DEAB Cc1cc(F)ccc1NC(=O)N1CCN(C(=O)C2CC2)CC1 76028633 ZXQHDDTVWJWNTR-UHFFFAOYSA-N 305.353 2.220 0 40 DEAB COc1ccc(C)nc1NC(=O)NCCc1c(C)nn(C)c1C 97378737 UKVWSESZQMNUEV-UHFFFAOYSA-N 317.393 2.113 0 40 DEAB O=C(c1occc1-c1ccccc1)N1CCC[C@@H](c2nnn[nH]2)C1 95435104 JLHFVCUDZDOPJO-CYBMUJFWSA-N 323.356 2.480 0 40 DEAB NC(=O)Cc1ccccc1OCc1nnc(-c2cccs2)o1 95442503 PHKAZKPURLVINY-UHFFFAOYSA-N 315.354 2.405 0 40 DEAB Cc1ocnc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 95449236 PULSSZIPYFGJCA-DZGCQCFKSA-N 321.327 2.436 0 40 DEAB Cc1ccc(O)c([C@@H]2NC3(CCCC3)C(=O)N2CC2CC2)n1 95408378 MDZSUGHRVSRFMI-OAHLLOKOSA-N 301.390 2.249 0 40 DEAB Cn1cc([C@H](O)CN[C@H]2CC3(CCC3)Oc3ccccc32)cn1 95423303 BCKMMLAXHHBIGE-JKSUJKDBSA-N 313.401 2.490 0 40 DEAB COC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[C@@H](O)C1 95418629 YSRAYEOVGSWSBB-VXGBXAGGSA-N 304.173 2.274 0 40 DEAB O=C(c1ccc2c(c1)CCO2)N1CC[C@](CO)(c2ccccc2)C1 520679142 DGFZJOJCOJAECO-FQEVSTJZSA-N 323.392 2.398 0 40 DEAB COc1cccc(C(=O)CSc2nnc3ncccn23)c1 35312748 VTGOGGWGLLRKKK-UHFFFAOYSA-N 300.343 2.108 0 40 DEAB CC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3ncccn3)n2)C1 72359973 OFQLGKCCUSAUAL-CYBMUJFWSA-N 312.377 2.045 0 40 DEAB COC(=O)[C@]1(C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340183 GINHXZURABBCQZ-KEYYUXOJSA-N 305.349 2.311 0 40 DEAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CCCS1(=O)=O 78657764 QVFZEBLGAXUIMA-UHFFFAOYSA-N 321.320 2.200 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCc2cccc(F)c2)c1C 72239082 IYTWWRFQDDEAAH-UHFFFAOYSA-N 311.382 2.137 0 40 DEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)N(C1CCCC1)C1CC1)CS2 71872340 OLVNFRMNVYVUAW-CZUORRHYSA-N 308.447 2.374 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCCCn2cc(C)cn2)C12CCC2 73946772 YNRAAEHTZOKMBT-HUUCEWRRSA-N 320.437 2.229 0 40 DEAB O=C(Cc1ccsc1)N1CCC[C@@H](Oc2cnccn2)C1 225473819 FNXOSRKRUVXLHE-CYBMUJFWSA-N 303.387 2.151 0 40 DEAB Cn1cc(-c2ncc(CN3CCc4c(O)cccc43)cn2)cn1 575603091 MXXWABDNLQOROK-UHFFFAOYSA-N 307.357 2.145 0 40 DEAB Cc1ccccc1N1C[C@@]2(CCN(c3nncs3)C2)CC1=O 96238581 FQYYPQPIAFVPKT-INIZCTEOSA-N 314.414 2.480 0 40 DEAB c1cncc(-c2ncc3c(n2)[C@]2(CCN(CC4CC4)C2)COC3)c1 96080375 LRSVXDPUHTYNER-IBGZPJMESA-N 322.412 2.422 0 40 DEAB CC[C@@H](C(=O)c1ccc(Br)cc1)S(C)(=O)=O 96518025 SNKRRLHHJYSPBV-JTQLQIEISA-N 305.193 2.455 0 40 DEAB CN1C[C@@H](NC(=O)c2c(O)cc(Cl)cc2Cl)CCC1=O 96456621 DDPCAIFTPHMPGA-QMMMGPOBSA-N 317.172 2.050 0 40 DEAB CC(C)(C)[S@@](=O)CCNC(=O)Nc1ccc(Cl)nc1 96418350 YVHQPNNNKOVAPO-LJQANCHMSA-N 303.815 2.404 0 40 DEAB CN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccc(F)c1)C2 96229696 YQUXFCMUJZPDSC-KRWDZBQOSA-N 304.365 2.443 0 40 DEAB CCOCC(=O)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109351 ALCVKJHEWFONJR-QAPCUYQASA-N 318.417 2.263 0 40 DEAB C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@@H](O)Cc1ccccc1 97237130 OBFULDOECABDEG-BMIGLBTASA-N 321.323 2.392 0 40 DEAB Cn1cc(CCC(=O)NC[C@@H]2SCCc3ccccc32)cn1 96454675 WPQRIUXYJSCACL-INIZCTEOSA-N 315.442 2.500 0 40 DEAB Cc1ccc(C)c(-n2nnnc2SCN2CCCCC2=O)c1 96500540 KSPRJDBQOXCIAZ-UHFFFAOYSA-N 317.418 2.341 0 40 DEAB Cc1c(Br)cnc(O)c1I 521396156 XJOBGFGUJJFCHG-UHFFFAOYSA-N 313.920 2.463 0 40 DEAB O=C(NCCCc1ccc(Cl)s1)[C@@H]1CCc2[nH]nnc2C1 252498153 QVIYBNXNEXNNOJ-SECBINFHSA-N 324.837 2.374 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3ncccc3c2)[C@H]1O 257270225 MTGHFXSGXMAZPM-BRWVUGGUSA-N 314.385 2.235 0 40 DEAB O=C(CCCN1CCCC1)N1CCNC[C@H]1c1ccccc1 257305219 SOYHOENBYCFJJN-KRWDZBQOSA-N 301.434 2.036 0 40 DEAB CCCOC1CCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 257214842 CNQKFCXNWDMBEW-UHFFFAOYSA-N 314.389 2.299 0 40 DEAB COc1ccc(F)cc1C(=O)N1CC[C@@]2(CCCO2)[C@@H](OC)C1 257316037 VDWBWNCWCLUURZ-RDJZCZTQSA-N 323.364 2.244 0 40 DEAB CCn1cc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cn1 575410719 CGXPFUJMIIDABF-HUUCEWRRSA-N 310.357 2.073 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCCn2nc(C)cc2C)cc1 42776822 LHQJVSVEDWSORV-UHFFFAOYSA-N 301.346 2.315 0 40 DEAB O=C(CCc1ccccc1)N1CCC(Oc2cnccn2)CC1 90678012 KDNXNPJWGPYAQY-UHFFFAOYSA-N 311.385 2.479 0 40 DEAB CCc1cc(N2CC[C@@H](CNc3ccccn3)C2)n2ncnc2n1 97200916 RRVNGJMHWJBPLI-ZDUSSCGKSA-N 323.404 2.020 0 40 DEAB Cc1cc2c(N3CCN(CCc4ccccc4)CC3)nccn2n1 274625476 AQFJBHLSHVWDTK-UHFFFAOYSA-N 321.428 2.402 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)Nc2ccccc2F)n1 5326934 WADOTPKNRXSZRT-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB CCN(c1ccc(NC(=O)C2=NNC(=O)CC2)cc1)C(C)C 12533805 QXBXMTFHUWJVSF-UHFFFAOYSA-N 302.378 2.126 0 40 DEAB O=C(Cn1cnc2c([nH]c3ccccc32)c1=O)NC1CCCCC1 14000990 YIBTVGZSTDVFHS-UHFFFAOYSA-N 324.384 2.327 0 40 DEAB Cc1occc1-c1[nH]ncc1-c1ccnc(N2CCOCC2)n1 19583009 BNQUNQKDHXDEFS-UHFFFAOYSA-N 311.345 2.272 0 40 DEAB O=C1C[C@@H](NCc2ccncc2)C(=O)N1c1cccc(Cl)c1 19832326 WAWAVPCAFJCZBT-CQSZACIVSA-N 315.760 2.157 0 40 DEAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 16899761 APTZVNRMGRNUDZ-CYBMUJFWSA-N 321.398 2.177 0 40 DEAB COc1cc(C(C)=O)ccc1OCC(=O)OCc1cc(C)on1 5317696 WIXLTYKGMFKSQD-UHFFFAOYSA-N 319.313 2.316 0 40 DEAB Cc1ccc(C)c(NC(=O)CSc2nnnn2C2CC2)c1 15050140 AKMASEHFTSJYKL-UHFFFAOYSA-N 303.391 2.356 0 40 DEAB CC(=O)N[C@H]1CCOC2(CCN(Cc3csc(C)n3)CC2)C1 2037834905 GGLSHRJGCBKSCD-AWEZNQCLSA-N 323.462 2.101 0 40 DEAB CCn1c(O)nc2c(NCc3ccc(F)cc3F)ncnc21 2087045470 YUSCXLLQPJAWMZ-UHFFFAOYSA-N 305.288 2.442 0 40 DEAB C[C@H]1C[C@H]2CN(C(=O)Cc3noc4ccccc34)CC[C@@H]2O1 1565553022 GVYKERDLTMYYJG-HUBLWGQQSA-N 300.358 2.396 0 40 DEAB Cc1ccc(NC(=O)NCc2nnnn2-c2ccccc2)cc1 9615506 DOFVYCZDDDKYRV-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB COc1ccc(NC(=O)CSc2nc(C)c(C)c(=O)[nH]2)cc1 14944044 HLHJSEPGYJECFT-UHFFFAOYSA-N 319.386 2.126 0 40 DEAB C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@@H]2N 19461868 TWXVMGOZCGGXHQ-BJLQDIEVSA-N 321.424 2.321 0 40 DEAB CC(C)c1ccc([C@@H](C)NC(=O)N[C@H]2CCCNC2=O)cc1 69700918 KHHSROZZZPGVBW-DOMZBBRYSA-N 303.406 2.449 0 40 DEAB CCn1ncc(CN(C)C(=O)c2c(Cl)cnn2CC)c1C 2778212 PDBHUYAARFOLAG-UHFFFAOYSA-N 309.801 2.353 0 40 DEAB O=C(CSc1nc(=O)[nH]c2c1CCC2)c1ccc(F)cc1 4316904 PIWNZLDCSFKTCT-UHFFFAOYSA-N 304.346 2.373 0 40 DEAB CC(C)Oc1cccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)c1 101347700 VFZHDUBGBCJMHP-ZDUSSCGKSA-N 300.318 2.049 0 40 DEAB CN(C)c1cccc(CNC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)n1 101782829 KNRBJFMMLYOTNI-RYQLBKOJSA-N 322.412 2.285 0 40 DEAB CCOC(=O)c1ccoc1Cn1nnc(-c2ccc(F)cc2)n1 32667929 GNDUUQORDAVPRB-UHFFFAOYSA-N 316.292 2.297 0 40 DEAB O=C(CC1(C(=O)NC2CCCCC2)CCCC1)N1CCOCC1 32727506 VFBDJVRPYZEWRQ-UHFFFAOYSA-N 322.449 2.245 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2 32973930 JFNMAOIXQIXUTM-HDPALTEOSA-N 316.401 2.483 0 40 DEAB Cc1cc(C(=O)NCCCN2CCCC2=O)c2ccccc2n1 2649006 IMQDVQBDAKTAGL-UHFFFAOYSA-N 311.385 2.286 0 40 DEAB COC(=O)CN(Cc1ccc(OC(F)F)c(OC)c1)C1CC1 53137711 MHWOELPGHSTDRQ-UHFFFAOYSA-N 315.316 2.434 0 40 DEAB CCOC(=O)c1c(NC(=O)C2CCCC2)sc(C(N)=O)c1C 2764708 MITWIRPWHBHTMZ-UHFFFAOYSA-N 324.402 2.461 0 40 DEAB C[C@]12[C@@H]3[C@@H]4[C@H]5[C@@H]6[C@@H]7[C@@H]4[C@H]1[C@]1(CCC[C@H]71)[C@]6(O)[C@@]2(O)[C@]51CCC[C@H]31 104295033 YDNCVZPNUCHUSO-LFSYIWHWSA-N 310.437 2.437 0 40 DEAB Cc1nc(CC(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)cs1 22841762 XPKWMPJHSMOPOH-GXFFZTMASA-N 310.419 2.232 0 40 DEAB O=C(NCC(=O)N1CCc2sccc2C1)c1cccs1 12216142 NLAGQFLBCRIDBR-UHFFFAOYSA-N 306.412 2.124 0 40 DEAB CCOc1ccc(CN(C)C(=O)N[C@H](C)c2nncn2C)cc1 46963928 GAKFZTDKNZVLBQ-GFCCVEGCSA-N 317.393 2.116 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)NCCc1ccc(O)cc1 54117121 LZCXRFNFKZSISY-UHFFFAOYSA-N 322.364 2.178 0 40 DEAB NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 12543751 BAAQXROTVDBIKY-QGZVFWFLSA-N 313.376 2.174 0 40 DEAB CC(C)CNC(=O)c1ccc(NCC(=O)N(C)C)cc1Cl 55885686 VPVOFBQLEGKHND-UHFFFAOYSA-N 311.813 2.226 0 40 DEAB CCN(CC(=O)NC(C)(C)C)Cc1cc(C)c(C(=O)OC)o1 25916178 NQSDJMOWTLWHGN-UHFFFAOYSA-N 310.394 2.111 0 40 DEAB CN(C)C(=O)C[C@H](NC(=O)COC1CCCC1)c1ccccc1 57298730 UXSHBEQTOIPDSF-INIZCTEOSA-N 318.417 2.281 0 40 DEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]2c2cccc(F)c2)c1 69114104 RAFRNPNTWBMZLS-CYBMUJFWSA-N 309.366 2.085 0 40 DEAB COc1ccc(CC(=O)NCCCc2cn[nH]c2C)cc1OC 58245726 FHTAQIBGOAZLSO-UHFFFAOYSA-N 317.389 2.027 0 40 DEAB COc1nc(C(=O)N2CCOCC2(C)C)cc2ccccc12 58292815 ZNPYQDSQCCFNBH-UHFFFAOYSA-N 300.358 2.494 0 40 DEAB COc1ccccc1[C@@H](C)N(C)CC(=O)Nc1cc(C)nn1C 44949958 VKUNRSAKMKIVJB-CYBMUJFWSA-N 316.405 2.369 0 40 DEAB CCCCNC(=S)NNC(=S)N[C@@H]1CCC[C@H](C)[C@@H]1C 7679628 LMUJOZWEXIZBHA-SDDRHHMPSA-N 316.540 2.454 0 40 DEAB CCOCCCn1cnc2c3cc(F)ccc3n(C)c2c1=O 2329923 ZILGCZDKUTXHQF-UHFFFAOYSA-N 303.337 2.454 0 40 DEAB CCc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1 3324218 WULLITHOBPCTAJ-AWEZNQCLSA-N 317.389 2.154 0 40 DEAB COC[C@H](C)NC(=S)N[C@H](C)c1ccc(-n2ccnc2)cc1 13069301 XSUHUXZVXRJSGV-QWHCGFSZSA-N 318.446 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DEAB O=C(NCc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 9570707 WZDWFSABQCKRCJ-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB Cc1cnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2298034800 LTKOWXKFIXADPH-CYBMUJFWSA-N 324.375 2.259 0 40 DEAB Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(COC1=O)N2 20086344 NCVXCMXHZHFCJR-CQSZACIVSA-N 310.357 2.152 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@@H](c2ccco2)O1 32876 HILBEYXUJYJLAH-QFYYESIMSA-N 317.297 2.500 0 40 DEAB COCCN1C[C@H](C(=O)N[C@H](c2cccs2)C(C)C)CC1=O 45310639 RVUUOHDWYKOQHQ-DOMZBBRYSA-N 324.446 2.056 0 40 DEAB CCOC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 415463 DZEUOEQEZMMRGM-UHFFFAOYSA-N 324.358 2.409 0 40 DEAB C[C@H](NC(=O)c1ccccc1OCC(N)=O)c1cccs1 40473970 HSEWBYWIMOOIOW-JTQLQIEISA-N 304.371 2.103 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(N(C)C)c2)C1 16035344 SIFVVVPUZGRLSW-OKILXGFUSA-N 318.417 2.414 0 40 DEAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccco2)cc1 1380984 QLUCUMNNNUYELC-LLVKDONJSA-N 303.314 2.150 0 40 DEAB CCc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)cc1 2710872 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315.358 2.092 0 40 DEAB CC(C)[C@@H](C)NC(=O)Cn1c(S)nnc1-c1cccs1 17056421 UAWVIFOKULYPRX-SECBINFHSA-N 310.448 2.456 0 40 DEAB COCCOc1ncccc1NC(=O)Cc1ccc(OC)cc1 65477484 NOYJUDWUOQKEBT-UHFFFAOYSA-N 316.357 2.297 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)Cn1ccnc1 65410806 DHZPEKNQKHAKOU-JTQLQIEISA-N 313.810 2.212 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2C2CCCC2)c(=O)[nH]1 65541708 JMJFOSBDSVXZTR-OAHLLOKOSA-N 303.406 2.110 0 40 DEAB O=C(N[C@H]1CCOc2ccccc21)c1n[nH]c2ccccc2c1=O 69651967 WQISVJWFCOUQCR-ZDUSSCGKSA-N 321.336 2.177 0 40 DEAB CC(C)c1ccccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 6658594 NUSNSNZKNWUWEJ-OLZOCXBDSA-N 310.444 2.464 0 40 DEAB Cc1nnc(CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)o1 8718936 DZNCIYMVRZBMPY-UHFFFAOYSA-N 320.393 2.405 0 40 DEAB Cn1cc([C@@]2(C)CN(Cc3c[nH]nc3C(C)(C)C)CCO2)cn1 92016984 RTJJKPZHHHWCDE-QGZVFWFLSA-N 317.437 2.188 0 40 DEAB CC(C)n1ccnc1CN1CCCN(C(=O)c2ccoc2)CC1 69848728 RFWXKKRTXQCQNF-UHFFFAOYSA-N 316.405 2.405 0 40 DEAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)[nH]1 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Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@@H]2C[C@@H]2C)c1C 14637693 LYDKTHKXBTUVEL-GXFFZTMASA-N 310.419 2.148 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)NC2CCCCC2)nc1 14848607 BTQSHKCRBCXVAZ-UHFFFAOYSA-N 304.394 2.351 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Nc2c(C)noc2C)c1C 69978610 YORMEXIVWGOZEX-UHFFFAOYSA-N 324.358 2.187 0 40 DEAB CSc1ncccc1C(=O)NC[C@H](c1ccco1)N(C)C 7001875 MIBBHFPYMLBIOK-GFCCVEGCSA-N 305.403 2.429 0 40 DEAB Cc1ccc(C(=O)CCC(=O)NCc2nnc3ccccn23)cc1 19603799 ZRENEWXOOBTWNS-UHFFFAOYSA-N 322.368 2.317 0 40 DEAB COCCN(Cc1ccccc1)C(=O)c1ccc2[nH]nnc2c1 9318920 UCMBTEZRKXZDJX-UHFFFAOYSA-N 310.357 2.247 0 40 DEAB COc1ccc(O[C@H](C)C(=O)NC2(C(=O)O)CCCCC2)cc1 71802788 CLIZQERCBJKVGL-GFCCVEGCSA-N 321.373 2.366 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1Cn1cccn1 71866569 WRHVTFZRZUSDBN-OAHLLOKOSA-N 323.400 2.232 0 40 DEAB CC(C)(C)OC(=O)NCCCNC(=O)c1cc(Cl)ccn1 71799979 JWYDLLNETDSNPV-UHFFFAOYSA-N 313.785 2.380 0 40 DEAB COCc1cc(N[C@@H](CCO)C2CCCCC2)n2ncnc2n1 96429516 HIEUVXNJTUGUQO-AWEZNQCLSA-N 319.409 2.014 0 40 DEAB COc1ccc(C)cc1[C@H](O)CN[C@@H](C)[C@@H](C)n1cccn1 71882059 BJEXIBCHNMWLJF-SQWLQELKSA-N 303.406 2.473 0 40 DEAB CCOCCC(=O)N(C)Cc1cc(Br)cn1C 89986730 GGYAZGYEYUCFDL-UHFFFAOYSA-N 303.200 2.173 0 40 DEAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc2cc(C)ccn12 89949122 DIAAHGAMMMKHBH-RDJZCZTQSA-N 314.433 2.379 0 40 DEAB CS[C@@H]1CCC[C@@H]1NC(=O)N(CCO)Cc1ccccc1 83990489 CIZNGNGWOYYYOB-LSDHHAIUSA-N 308.447 2.475 0 40 DEAB Cc1cc([C@@H](C)NC(=O)N2CCC[C@H](CC(N)=O)C2)c(C)o1 84081628 AJBRXTASRLLCDP-DGCLKSJQSA-N 307.394 2.254 0 40 DEAB CN(C)C(=O)c1nn(-c2ccc(F)cc2)cc1Br 72287427 JWCUFVURYROFDJ-UHFFFAOYSA-N 312.142 2.476 0 40 DEAB CCc1n[nH]c([S@](=O)Cc2nnc(-c3ccccc3)s2)n1 97148250 WKZWBTIKLGTOOH-NRFANRHFSA-N 319.415 2.193 0 40 DEAB COc1ccc(F)cc1[C@H](C)NCc1c(C)nn(CCO)c1C 97159827 QPGLSUAAOFJXCM-NSHDSACASA-N 321.396 2.491 0 40 DEAB O=C1NCCN(Cc2cncs2)[C@H]1c1ccccc1Cl 97108652 VJIZUEHIUSGEPQ-ZDUSSCGKSA-N 307.806 2.470 0 40 DEAB Cc1nc(-c2c[nH]c(C(=O)N[C@H](C)c3ncon3)c2)cs1 97232912 MXAQCQSJSCCEFQ-SSDOTTSWSA-N 303.347 2.321 0 40 DEAB O=c1c(Br)nn(Cc2ccon2)c2ccccc12 84585419 LNGMQQWFGMJTLM-UHFFFAOYSA-N 306.119 2.195 0 40 DEAB COC(=O)c1cc(Cn2ccc3ccn(C)c3c2=O)oc1C 95462991 KPVSFXODUCBVCN-UHFFFAOYSA-N 300.314 2.076 0 40 DEAB C[C@H](NCc1cccc2c1OCO2)c1nnc2n1CCCC2 78880193 JTULBHOBBUGIGA-NSHDSACASA-N 300.362 2.194 0 40 DEAB Cc1cnn(CCCNC(=O)N[C@@](C)(CO)C2CCCCC2)c1 95410331 JLJCKNCERRSTTH-KRWDZBQOSA-N 322.453 2.212 0 40 DEAB Cc1ccc(C)c([C@@H](C)NC(=O)NC[C@@H](O)c2cnn(C)c2)c1 78939779 OCOHQEZOZHOTMA-CZUORRHYSA-N 316.405 2.131 0 40 DEAB Cc1cccc(S(=O)(=O)NC[C@@H]2CCCN(C)C2)c1Cl 95986741 IOXJQUZWHZUKJO-LBPRGKRZSA-N 316.854 2.269 0 40 DEAB COCc1nc2n(n1)C[C@H](NC[C@@H](C)c1ccc(F)cc1)CC2 95989007 AOUVGXYPRFJMSB-IUODEOHRSA-N 318.396 2.272 0 40 DEAB COc1cc(CCNC(=O)N2CCCC[C@@H]2CCO)ccc1F 95987599 POPOFTBGOAPMLU-CQSZACIVSA-N 324.396 2.323 0 40 DEAB Cc1ccc(OC(F)F)c(NC(=O)c2nc3ncccn3n2)c1 36618794 UOTYBYDODZMRIS-UHFFFAOYSA-N 319.271 2.286 0 40 DEAB C=CC[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@]21O3 485776 CVIIEVKDNDVREO-KQVLKZGSSA-N 311.337 2.002 0 40 DEAB biogenic CCOC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 34006738 OQAQLARGRIIKCB-JKSUJKDBSA-N 313.353 2.082 0 40 DEAB in-vitro C[C@@H]1C[C@H](N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 78394016 GQRZYASNEOWHBY-AGIUHOORSA-N 312.410 2.022 0 40 DEAB COc1ccc(NC(=O)N2CCOC[C@H]2CO)c2ccccc12 529254682 HGHYIDVZXDHZHH-GFCCVEGCSA-N 316.357 2.073 0 40 DEAB COc1ccc(CSCCCS(=O)(=O)N(C)C)cc1F 78552254 PKJDDAKABUWHIS-UHFFFAOYSA-N 321.439 2.349 0 40 DEAB CC[C@@](C)(O)CNC(=O)N[C@H]1CCCN(c2ccccc2F)C1 152453458 SBLOQKGKCFJBDT-SUMWQHHRSA-N 323.412 2.255 0 40 DEAB c1ccc(C[C@@H]2CC[C@@H](N[C@@H]3CCc4nnnn4CC3)C2)cc1 564809797 VSIWETCMMYLZDW-GVDBMIGSSA-N 311.433 2.379 0 40 DEAB CC(C)NC(=O)[C@H]1CCCN(c2nc3ccccc3n2C)C1 72389598 YJJCDTJIZMCVJT-ZDUSSCGKSA-N 300.406 2.314 0 40 DEAB O=C(N[C@@H]1CCCN(c2ccccc2)C1=O)c1cscn1 74684891 IGPMFIBCXUVDJW-GFCCVEGCSA-N 301.371 2.069 0 40 DEAB COc1ccc(F)cc1S(=O)(=O)N1CCOc2ccccc21 223023330 ULTAHUPDNQOEHG-UHFFFAOYSA-N 323.345 2.422 0 40 DEAB CCCNC(=O)Cn1ccc(=O)c2ccc(Br)cc21 225737544 DDJMRHMANQKKHA-UHFFFAOYSA-N 323.190 2.290 0 40 DEAB O=C1CCCN1CC[C@H]1CN(C(=O)c2cc[nH]n2)c2ccccc21 81644924 MVTKDLZSRQUFCV-ZDUSSCGKSA-N 324.384 2.166 0 40 DEAB COCCNC(=S)Nc1ncc(Br)cc1Cl 223883988 AEMMAHQGEULROU-UHFFFAOYSA-N 324.631 2.430 0 40 DEAB CS(=O)(=O)c1cc(NC(=O)c2ccncc2)ccc1Cl 191442463 VNYOSJCJHHFGEL-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)N[C@H]1CCC(=O)NC1 96454263 UWIZVPCLEKCMHB-NSHDSACASA-N 310.781 2.137 0 40 DEAB CCCC[C@H](NC(=O)NCc1nnc2n1CCC2)C1CCC1 96461911 SHDWCKASNWPOKK-ZDUSSCGKSA-N 305.426 2.382 0 40 DEAB CS(=O)(=O)c1cccc(OC[C@@H](O)c2ccccc2F)c1 95439097 KNEMTIZSBITERV-OAHLLOKOSA-N 310.346 2.342 0 40 DEAB c1ccc(N[C@@H]2CN(C3CCOCC3)C[C@@H]3CCCO[C@@H]32)nc1 97953508 LTQYSIHXWPBIQK-LESCRADOSA-N 317.433 2.152 0 40 DEAB Cn1cnc2c1[C@H](COCC1CC1)CN(C(=O)c1ccco1)C2 96060248 NJQABUKTWQRABK-ZDUSSCGKSA-N 315.373 2.179 0 40 DEAB COc1cnc(O[C@H]2CCN(Cc3sc(C)nc3C)C2)nc1 1206191969 AAYCGPUYYBMLJD-LBPRGKRZSA-N 320.418 2.212 0 40 DEAB COC(=O)Cn1nnc(-c2cccc(Oc3ccccc3)c2)n1 90514330 XZMPAOSYRVUFOE-UHFFFAOYSA-N 310.313 2.305 0 40 DEAB CCC1(C(=O)N(C)Cc2cc(-c3nn[nH]n3)cs2)CCC1 1590483763 WTHIRJSWBALPKV-UHFFFAOYSA-N 305.407 2.467 0 40 DEAB Cc1cccc(CN2CC[C@]3(CCN([C@@H]4CCOC4)C3)C2=O)c1 96159610 JSRGPKBCSAYGIF-IEBWSBKVSA-N 314.429 2.208 0 40 DEAB Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 247998918 BIUFLQJPWDSTDY-SAXRGWBVSA-N 302.422 2.406 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccc(F)c3)[C@@H]2C1 247845082 GPKUCBVVBZYUCC-SWLSCSKDSA-N 317.389 2.239 0 40 DEAB C[C@@]1(c2ncc(CNC(=O)c3cncs3)cn2)CCCCO1 257238732 HMHIHNASECVTEV-HNNXBMFYSA-N 318.402 2.279 0 40 DEAB Cc1cc(C)nc([C@H]2CN(C(=O)c3ccsc3)CCO2)n1 257267243 MGNKWOYKXNXRLN-CYBMUJFWSA-N 303.387 2.369 0 40 DEAB CS(=O)(=O)N1CCC[C@H](c2ccc(-c3nccs3)cn2)C1 257271070 MWQXUEPHSNIIHS-LBPRGKRZSA-N 323.443 2.344 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H](c2ccnc(O)n2)C1 257205554 AZPWTOXAKLYQEH-NSHDSACASA-N 323.356 2.078 0 40 DEAB CCn1ccnc1CN1CCCC[C@@H]1c1ccnc(NC)n1 257284768 PEFHPEAYVUVDRN-CQSZACIVSA-N 300.410 2.462 0 40 DEAB CCO[C@@H]1C[C@@](NC(=O)c2ccc(OC)cc2)(C(=O)O)C1(C)C 262693185 CREUFFQZFMUQAP-CXAGYDPISA-N 321.373 2.083 0 40 DEAB CC[C@@H](C(=O)O)N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 263568837 HDULYWABZPJQGR-LRDDRELGSA-N 322.405 2.443 0 40 DEAB Cn1cnc2c1C[C@@H](CO)N(Cc1cccc3ccccc13)C2 585094915 UDUGFPPFONGYGG-INIZCTEOSA-N 307.397 2.493 0 40 DEAB Cc1cc(C(=O)NCC2CCN(c3ncccn3)CC2)c(C)o1 43976791 RDZMGKYWZBHZDC-UHFFFAOYSA-N 314.389 2.333 0 40 DEAB O=C(Cc1ccsc1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827886962 BZECOSVHYGFMHL-STQMWFEESA-N 302.403 2.277 0 40 DEAB NC(=O)Cc1ccccc1NC(=O)c1cc(-c2ccccc2)[nH]n1 47256372 CURXWVHZBJOKBZ-UHFFFAOYSA-N 320.352 2.357 0 40 DEAB FC(F)(F)CN1CC[C@@H](NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)C1 106757834 PTMRQLBDYFMEJC-NNYUYHANSA-N 321.412 2.276 0 40 DEAB Fc1cnc(N2CCN(Cc3csc(C4CC4)n3)CC2)nc1 273728712 QPBUJNUECVGSHA-UHFFFAOYSA-N 319.409 2.272 0 40 DEAB O=C(NCCCc1ccccc1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13320916 SXLCHJRPJHBTEJ-XUWVNRHRSA-N 301.386 2.482 0 40 DEAB CC(C)(C)CC(=O)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19082716 ADGHNTHUKNGEIQ-CYBMUJFWSA-N 316.449 2.265 0 40 DEAB Cn1nccc1C(=O)N1CCC(c2cc3ncccc3cn2)CC1 19289100 VQHXTBZNVRWHJH-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1cc(Br)ccc1F 169215509 QZBZNKORJPRVSK-ZANVPECISA-N 302.187 2.491 0 40 DEAB O=C(NCC1CCN([C@@H]2CCOC2)CC1)Nc1ccccc1 575608748 VCAOAGJPJNRXSE-MRXNPFEDSA-N 303.406 2.309 0 40 DEAB CCOC(=O)c1c[nH]c2c(C(=O)OC)csc2c1=NC1CC1 953019294 MHUKDOPUXDLMCP-UHFFFAOYSA-N 320.370 2.256 0 40 DEAB COc1cccc(C(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)c1 8924544 BWDHGNOPQJRTTJ-AWEZNQCLSA-N 324.380 2.478 0 40 DEAB Cc1ccc(NC(=O)NCCCn2ncccc2=O)c(C)c1 23241895 VASMZULTPQRERT-UHFFFAOYSA-N 300.362 2.072 0 40 DEAB Cc1cc2ncc3c(n2n1)CC[C@H](NC(=O)/C=C/c1ccco1)C3 618257570 XYIZQIYEHKSGHS-DYLGSBMWSA-N 322.368 2.318 0 40 DEAB Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1cccc(F)c1 20059045 JNWONOXSHJEXJU-UHFFFAOYSA-N 321.333 2.105 0 40 DEAB N[C@@H](CSCc1oc(-c2ccccc2)cc1C(=O)O)C(=O)O 60919 OWKFSBMZASSGMV-NSHDSACASA-N 321.354 2.290 0 40 DEAB COC[C@@H](C)NC(=O)NCc1ccc(N2CCCCCC2)nc1 59036298 FTTCGAOSFAOHGY-CQSZACIVSA-N 320.437 2.296 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2F)c(O)c1 7485251 AVCXKDZKHQHKKT-UHFFFAOYSA-N 317.316 2.313 0 40 DEAB Cc1ccc([C@]2(C)NC(=O)N(C[C@H](O)c3ccccc3)C2=O)cc1 11377342 MJUDWDYDLJZEMB-LPHOPBHVSA-N 324.380 2.496 0 40 DEAB CCc1noc([C@H](C)N2CCN(C(=O)c3ccccc3)CC2)n1 69463951 XKUGAOIZSRVKIH-ZDUSSCGKSA-N 314.389 2.151 0 40 DEAB Cc1ccc(C(=O)NCCSCc2ccccc2)c(=O)[nH]1 40554908 RSVSZBMYJMTXIQ-UHFFFAOYSA-N 302.399 2.347 0 40 DEAB CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1CO 51149494 REPWEZZPCCYPNT-KBPBESRZSA-N 319.357 2.183 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2ccc(C(=O)NC3CC3)cc2)c1 69463993 BDDLPSOLMBTOJX-CQSZACIVSA-N 312.417 2.262 0 40 DEAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CCCN(c2ncccn2)C1 101374734 UUOJGTNVRHNESQ-VGWMRTNUSA-N 312.417 2.021 0 40 DEAB O=C(CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O)N1CCCCC1 6480186 XADPHFVQKPJYKZ-FMIVXFBMSA-N 319.386 2.064 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)N[C@H](C)[C@H](O)c2cccc(F)c2)n1 89591638 KBFVOXPZYPLIMU-IOASZLSFSA-N 319.380 2.438 0 40 DEAB O=S(=O)(NCc1cccnc1)c1ccc2c(c1)CCCC2 7059649 ULKPDDBQEQKBDC-UHFFFAOYSA-N 302.399 2.439 0 40 DEAB CC(C)(C)[C@H]1CCc2c(sc3nc(NN)nc(NN)c23)C1 380813 YNKLEAUYQZGIIQ-ZETCQYMHSA-N 306.439 2.414 0 40 DEAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)NCc1ccccn1)[C@H]2C(=O)O 101783339 NFGDPQAKJHWENP-VDERGJSUSA-N 314.385 2.391 0 40 DEAB O=c1c(NCc2cccc(F)c2)c(NCc2ccccn2)c1=O 101698204 KMTYQGDSPCUCIF-UHFFFAOYSA-N 311.316 2.041 0 40 DEAB O=C(C[C@H]1C=CCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1 32889026 YSHYQFDFFASMSD-LBPRGKRZSA-N 320.414 2.422 0 40 DEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@@H]2CC=CCC2)c1C 32820621 RMJINHYQEVXOQD-GFCCVEGCSA-N 308.403 2.246 0 40 DEAB Cc1c(Cl)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)nn1C 2778619 OKQBPMSVCHRKSC-UHFFFAOYSA-N 312.845 2.421 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1C 802717 DROKIYIEIHVQEJ-QWRGUYRKSA-N 313.419 2.110 0 40 DEAB O=C1Nc2c(Br)ccc(Br)c2C1=O 42577408 JYLCBTSWCOVUIR-UHFFFAOYSA-N 304.925 2.346 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N3CCC(CO)CC3)cnc21 61352497 KGEHWSHQTZRSRC-UHFFFAOYSA-N 317.393 2.248 0 40 DEAB CCCCc1nc(C)c(C(=O)NCCNC(=O)C2CC2)s1 42847232 QKYTUYLNZRVZIG-UHFFFAOYSA-N 309.435 2.050 0 40 DEAB CC(=O)N1CCc2cc(C(=O)NOCc3ccccc3)ccc21 25038755 XWTXTWMQURRNBV-UHFFFAOYSA-N 310.353 2.457 0 40 DEAB Cc1cc2ncn(CN3CCN(C(=O)C(C)C)CC3)c2cc1C 12533775 ZXNIWMHWAMVAJK-UHFFFAOYSA-N 314.433 2.411 0 40 DEAB CC(C)[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 34892043 YOENTGLLUANYOQ-NEPJUHHUSA-N 324.446 2.172 0 40 DEAB CC(=O)N(C)CC(=O)N[C@@H](C)CCc1ccc(OC(C)C)cc1 55701271 VXEGFPTUEZECJL-AWEZNQCLSA-N 320.433 2.389 0 40 DEAB CCCCNC(=O)[C@H](C)Nc1ccc(NC(C)=O)c(OC)c1 56162409 GCVFFDPXRCDHKL-NSHDSACASA-N 307.394 2.370 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@@H]1CCCO1 108356239 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40 DEAB Cc1ccc([C@@H](CNC(=O)Nc2c[nH]nc2C)N(C)C)cc1 71922251 YRINQMNXRLSREN-OAHLLOKOSA-N 301.394 2.451 0 40 DEAB O=C(NCCOc1ccc(C(F)(F)F)cn1)c1ccccn1 89878943 IOWJFFSVEKJBJT-UHFFFAOYSA-N 311.263 2.304 0 40 DEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(I)cn1 83446343 WUNKSXZCPFYBNP-POYBYMJQSA-N 302.115 2.281 0 40 DEAB Fc1ccc(NCc2ccon2)cc1-n1nnnc1C1CC1 96427577 YODIEWKAQSIYNB-UHFFFAOYSA-N 300.297 2.279 0 40 DEAB COC(=O)C1CCN(CCCN2C[C@H](C)S[C@@H](C)C2)CC1 97048462 BQGQRDXYFZHSEH-KBPBESRZSA-N 314.495 2.087 0 40 DEAB O=C(Nc1ccc2[nH]nnc2c1)c1ccc(Br)cn1 97015242 IMCORRPEMKARIH-UHFFFAOYSA-N 318.134 2.368 0 40 DEAB CC(C)CN([C@H]1CCCc2cccnc21)S(=O)(=O)N(C)C 97163842 AODWVYWPWJNNMB-AWEZNQCLSA-N 311.451 2.223 0 40 DEAB Cn1cnc(-c2ccc(NC(=O)CCc3ccncc3)cc2)n1 97108801 HFWRCKOHWAEUEE-UHFFFAOYSA-N 307.357 2.448 0 40 DEAB Cc1n[nH]c([C@H]2CN(C(=O)CCCc3cccs3)CCO2)n1 76045156 JJHPHQKVXMVQSX-CYBMUJFWSA-N 320.418 2.097 0 40 DEAB NC(=O)[C@@H](c1ccccc1)N1CC[C@H](CNc2ccccn2)C1 97200622 KTWRCNKIJSTWAS-RHSMWYFYSA-N 310.401 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CC(C)(C)c1ccc(OCCNC(=O)c2ccc(O)nn2)cc1 23746728 PDOKGLAFYCBXDI-UHFFFAOYSA-N 315.373 2.289 0 40 DEAB Cc1nn(C)c(C)c1C(=O)C(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107490852 MQPJSPSZOQSCLQ-IHRRRGAJSA-N 303.406 2.162 0 40 DEAB COc1ccc(-c2cc(C(=O)NCc3ccccn3)n(C)n2)cc1 35277016 GJWFEBGMDUKMLS-UHFFFAOYSA-N 322.368 2.421 0 40 DEAB Cc1cc(C)cc(NCC(=O)NC(=O)NCC(F)(F)F)c1 58019942 BRPTWHAZIDULAP-UHFFFAOYSA-N 303.284 2.103 0 40 DEAB CCCCNC(=O)CN1CCN(c2cccc(Cl)c2)CC1 58158041 WFRZDWXXHAHOIB-UHFFFAOYSA-N 309.841 2.378 0 40 DEAB CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cc[nH]n1 89840129 CSIFFGPWZMOWTL-HNNXBMFYSA-N 305.353 2.381 0 40 DEAB Cc1ncsc1CN1Cc2cncn2[C@@H](CCN(C)C)C1 306141326 VRZUEKCFYITWKY-ZDUSSCGKSA-N 305.451 2.157 0 40 DEAB O=C(Nc1cccnc1N1CCCCC1)c1cn2cccnc2n1 58249903 AEPDWBMFXGLVPY-UHFFFAOYSA-N 322.372 2.367 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCC1 58314428 KXWOENVNJFLEJZ-ZDUSSCGKSA-N 318.417 2.148 0 40 DEAB CN(C)C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCC3 2283513 UYFFPCSGNDRTOZ-UHFFFAOYSA-N 321.760 2.402 0 40 DEAB CSc1sc(NC(=O)c2cn3cccnc3n2)nc1C 69489029 DALIJARGZXEOCZ-UHFFFAOYSA-N 305.388 2.468 0 40 DEAB CCC(=O)NCCCN1CCN(c2ccccc2Cl)CC1 68124863 VGFGAGFRZZIXKR-UHFFFAOYSA-N 309.841 2.378 0 40 DEAB CN(Cc1c(F)cccc1Cl)Cn1nc2ccccn2c1=O 13007984 PRDRDQOFALXEFC-UHFFFAOYSA-N 320.755 2.378 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cccnc1N 13017534 TWSCGSKIIVOSJJ-UHFFFAOYSA-N 319.748 2.421 0 40 DEAB COCCNC(=O)[C@H](C)Oc1ccc(C)cc1Br 7839355 ULCQFXCAGMCLHB-JTQLQIEISA-N 316.195 2.287 0 40 DEAB Cc1ccccc1CN(C)[C@@H](C)C(=O)NC(=O)NC(C)(C)C 8494257 XAWZRKUVAPAATK-ZDUSSCGKSA-N 305.422 2.440 0 40 DEAB CN(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1F 7910735 MMDOJGWYQSCTHP-UHFFFAOYSA-N 307.369 2.026 0 40 DEAB CCOCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1 4091622 UQAVEXFWZRMFNB-OAHLLOKOSA-N 318.373 2.203 0 40 DEAB O=C(O)c1cc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)ccc1Cl 4181528 GFLFKUHYSVELRX-XXHBBNRNSA-N 317.728 2.350 0 40 DEAB COc1ccc(OCC(=O)NC[C@H](c2ccco2)N(C)C)cc1 13681815 CDFSCUSTRAOYGS-OAHLLOKOSA-N 318.373 2.086 0 40 DEAB Sc1nnc(-c2cccc(Cl)c2)n1CCN1CCOCC1 13723810 NPGQVGLQQHBZPR-UHFFFAOYSA-N 324.837 2.219 0 40 DEAB CCc1ccc([C@@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 39522430 RPLQAVPZSCUMTA-CVEARBPZSA-N 323.458 2.497 0 40 DEAB O=C(CCn1cnc2ccccc2c1=O)N1CCc2ccccc21 14093849 FMGFHIBNVGKGKK-UHFFFAOYSA-N 319.364 2.376 0 40 DEAB O=C(NCCCN1CCOCC1)Nc1ccc2c(c1)CCC2 65562204 PGWMARCLLLVRGV-UHFFFAOYSA-N 303.406 2.019 0 40 DEAB C[C@H](NC(=O)COC(=O)c1ccccc1O)c1cccs1 5784301 JMZNDLYOKVLHEW-JTQLQIEISA-N 305.355 2.488 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 69707093 ALKHNDVVYVLVJC-VXGBXAGGSA-N 321.812 2.245 0 40 DEAB COc1ccccc1NC(=O)Cn1cnc2ccsc2c1=O 8745664 LZOAVBYBRXXCHH-UHFFFAOYSA-N 315.354 2.105 0 40 DEAB CC(C)Cn1ccnc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 89856776 FMQIDZVZAYRUKM-CQSZACIVSA-N 313.357 2.259 0 40 DEAB COC(=O)C1(N(C)CC(=O)NC2CCC(C)CC2)CCCC1 89922644 SDUCSWIAYZOXKN-UHFFFAOYSA-N 310.438 2.099 0 40 DEAB Cc1ccccc1C1(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 75602623 NJTLYARGTHTWLJ-HNNXBMFYSA-N 310.401 2.482 0 40 DEAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1nc[nH]n1 19849982 RDKAHFDSSGKUAF-UHFFFAOYSA-N 309.738 2.330 0 40 DEAB CCn1nccc1C(=O)NCCCn1ncc2ccc(C)cc21 72239497 UDVRZGMFWONXTA-UHFFFAOYSA-N 311.389 2.381 0 40 DEAB CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CCCS1(=O)=O 72275854 XQOVEVFJSOCNJG-WTNCMQEWSA-N 323.414 2.439 0 40 DEAB CC(=O)Nc1nc(CN2CCC[C@H](c3ccnn3C)C2)cs1 72270556 RSFHTYPSURXVPC-LBPRGKRZSA-N 319.434 2.215 0 40 DEAB COc1cccc(C[S@](=O)Cc2nsc(N(C)C)n2)c1 97080203 JWKLNCOYDGIPKE-HXUWFJFHSA-N 311.432 2.062 0 40 DEAB COc1ccc(N2CCCC2=O)c(NC(=O)c2ccccn2)c1 72404029 DMXCCKUDNSDGEZ-UHFFFAOYSA-N 311.341 2.469 0 40 DEAB O=C(Nc1cc(Cl)cc2c1OCC2)N[C@@H]1C=C[C@H](CO)C1 97379763 CUVIKBSHXXWRQI-JOYOIKCWSA-N 308.765 2.333 0 40 DEAB CC(C)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 84597488 KADANQGNGMSPQE-HNNXBMFYSA-N 311.470 2.412 0 40 DEAB COC[C@H]1CCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439777 GKIRIVLMKRUHFT-LLVKDONJSA-N 321.801 2.420 0 40 DEAB Cn1cnc2cc(C(=O)NS(=O)(=O)CCC(C)(C)C)ccc21 95991799 NOQLSNPUIYXVHT-UHFFFAOYSA-N 323.418 2.069 0 40 DEAB COc1ccc(Br)cc1S[C@H]1CCNC1=O 95971779 INISVIQRUKSPBU-VIFPVBQESA-N 302.193 2.438 0 40 DEAB Cc1cnccc1NC(=O)N1CCCN(CC(F)(F)F)CC1 95981960 MCLXOSCNAKHOKR-UHFFFAOYSA-N 316.327 2.492 0 40 DEAB CC(C)[C@H](NC1CCOCC1)C(=O)N[C@H](C)c1ccncc1 95979842 IAFXHIYNLPFGIM-CJNGLKHVSA-N 305.422 2.052 0 40 DEAB O=S(=O)(Cc1coc(-c2cccc(Cl)c2)n1)c1nc[nH]n1 75093360 ZYOOAJIQSXMJNJ-UHFFFAOYSA-N 324.749 2.087 0 40 DEAB O[C@@H](CN1CCO[C@H](c2nccs2)C1)c1ccc(F)cc1 65594044 MZAHYXSEVDBRQC-KBPBESRZSA-N 308.378 2.389 0 40 DEAB CS(=O)(=O)N1CCC(c2cccc(-c3cccnc3)n2)CC1 72365165 UTXCJTPOEAYXGX-UHFFFAOYSA-N 317.414 2.283 0 40 DEAB CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1cccc(F)c1 77929817 GAUSKTCYMRVVMG-INIZCTEOSA-N 310.369 2.068 0 40 DEAB CCc1nnc(C2CCN(C(=O)c3cc(C)on3)CC2)s1 38666575 DIBSQHXHQMXCPO-UHFFFAOYSA-N 306.391 2.417 0 40 DEAB CNS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 72846923 YWQZBFQZLIEOMC-UHFFFAOYSA-N 311.407 2.003 0 40 DEAB CCNC(=O)NCCCOC(=O)C1(c2ccccc2F)CC1 77869019 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40 DEAB CO[C@H]1CN(C(=O)CCc2c(C)noc2C)CC[C@@]12CCCO2 257216417 CULMSBFOHALXOL-RDJZCZTQSA-N 322.405 2.021 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3ccccn3)C[C@@H]21 257342472 ZOTPNDCRIFSACJ-HYVNUMGLSA-N 309.417 2.218 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2cccs2)n1 257336348 YOAVLMWUCAVXMO-CYBMUJFWSA-N 305.403 2.312 0 40 DEAB Cc1nc2sccc2c(=O)n1CCNC(=O)[C@H]1CC=CCC1 253472971 QUQMVGPVXAVXCA-LBPRGKRZSA-N 317.414 2.239 0 40 DEAB COc1cccc([C@@H]2Cn3ccnc3CN2C(=O)c2cnco2)c1 257339337 ZBHDTAGSFCDVMV-AWEZNQCLSA-N 324.340 2.277 0 40 DEAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)CC(F)(F)F)C2)n1 390829471 ZIDQBUQQJYOHDG-JTQLQIEISA-N 303.284 2.026 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1C[C@H](O)C[C@H]1c1ccccc1 579092452 UAIFBWKVZGQXHH-CVEARBPZSA-N 309.369 2.302 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCN(Cc2ccccn2)CC1 53473521 VNSQFRMLQJWJFU-UHFFFAOYSA-N 318.808 2.032 0 40 DEAB Cc1cc(C)c2ccc(NC(=O)c3cnc(N(C)C)nc3)nc2n1 12223030 LGESNTYMXNXVLP-UHFFFAOYSA-N 322.372 2.355 0 40 DEAB Cc1nn(C)cc1S(=O)(=O)N1CCc2cc(Cl)ccc21 12239589 ICPGZCRSPDPPHP-UHFFFAOYSA-N 311.794 2.133 0 40 DEAB CCC(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14257862 JJIULVIHCFGAQX-UHFFFAOYSA-N 308.250 2.441 0 40 DEAB CC(C)[C@@H]1NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 14673561 IAUIDQRQVMYVKO-HNNXBMFYSA-N 317.389 2.004 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1C(F)(F)F 19575951 NEGDXXNUJDBBQV-IACUBPJLSA-N 314.351 2.345 0 40 DEAB CCn1cncc1C(=O)N[C@@H](C)COc1ccc(OC)cc1 19578491 WBWISZPJGDTHLH-LBPRGKRZSA-N 303.362 2.109 0 40 DEAB COc1ccc(CN2CCOC[C@H](Cc3ncccn3)C2)cc1 607855102 LXUOUPXZZYSDEK-MRXNPFEDSA-N 313.401 2.176 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ccc(C3CC3)nn2)CC1 1888890322 XPBRDLIJLWHFLJ-UHFFFAOYSA-N 304.394 2.411 0 40 DEAB O[C@](CN=c1[nH]cnc2ncccc12)(c1ccccc1)C1CC1 1889180500 PUVLSKBVEORTMP-GOSISDBHSA-N 306.369 2.156 0 40 DEAB Cc1ccc(OCCNS(=O)(=O)N2CCCC[C@H]2C)cc1 27974234 UIXRCNBOVATFIX-CQSZACIVSA-N 312.435 2.083 0 40 DEAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 25427241 GRZNQVBRZKRNNX-JTQLQIEISA-N 309.309 2.163 0 40 DEAB O=S(=O)(c1ccc(NC2CCC(O)CC2)cc1)C(F)F 35355176 LYHVPKGWOIAAPW-UHFFFAOYSA-N 305.346 2.398 0 40 DEAB CCOc1cc(C(=O)O)cc(I)c1O 7604055 IICSWFWTVNVOCV-UHFFFAOYSA-N 308.071 2.094 0 40 DEAB Cc1cccnc1OCC1CCN([C@@H]2CCCCNC2=O)CC1 585531905 HIMUXCOJXHJNDI-MRXNPFEDSA-N 317.433 2.150 0 40 DEAB Cn1c(N2CC(c3nnc4ccccn34)C2)nc2ccccc21 2298234997 WGSDPHQUVMMVQX-UHFFFAOYSA-N 304.357 2.220 0 40 DEAB C[C@@H]1CCCCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 40039931 SGOPACSJYCEZLP-LLVKDONJSA-N 322.792 2.466 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCO[C@H]1CCCC[C@H]1C 40105712 OGMJPUSKXQEGEM-MFKMUULPSA-N 316.423 2.165 0 40 DEAB COc1cccc2c1ccn2CC(=O)N[C@@H](CC(C)C)C(=O)O 40312990 BDKKAXJJDHDGDL-ZDUSSCGKSA-N 318.373 2.265 0 40 DEAB biogenic COc1ccc(CCN2C(=O)OC(C)(C)[C@@]2(C)O)cc1OC 49540 AJKCLNUXUQGFMJ-MRXNPFEDSA-N 309.362 2.186 0 40 DEAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(-n3cnnn3)c2)c1 7646192 XDAYPAZMADWFIC-ZDUSSCGKSA-N 323.356 2.377 0 40 DEAB CCOC(=O)c1c(C=O)c2sc(C)cc2n1CC(=O)OC 1350637 GMIFJMCMOGSYDU-UHFFFAOYSA-N 309.343 2.173 0 40 DEAB Nn1c(SCCOc2ccc(F)cc2)nnc1C(F)(F)F 3341433 RDRHSWSEUULCFI-UHFFFAOYSA-N 322.287 2.321 0 40 DEAB Cc1cccc(NC(=O)CSc2nnc(N)n2C2CC2)c1 31853861 KCHMMFDNCALRNY-UHFFFAOYSA-N 303.391 2.234 0 40 DEAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@H]1C=C[C@@H]2C12CC2 4156484 ZGPBKMNGWPVKJX-JLUCKKNBSA-N 309.321 2.117 0 40 DEAB O=C(NCc1ccccc1)NC1(C(=O)NC2CC2)CCCC1 45873028 VSBVRTKDLFTMPZ-UHFFFAOYSA-N 301.390 2.077 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c1 4832173 LYDHQTQMTPXRTF-BVIHXZOGSA-N 314.341 2.106 0 40 DEAB Cc1n[nH]c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1 11659229 AGYHVJJYQXXYKK-JTQLQIEISA-N 302.403 2.179 0 40 DEAB CCCc1noc(Cn2cnc3sc(CC)cc3c2=O)n1 29606085 LFCJTQTUIPPIAP-UHFFFAOYSA-N 304.375 2.404 0 40 DEAB CN(C)c1cc(CNC(=O)[C@@H]2COc3ccccc3C2)ccn1 46623622 SYKBREDCVBITTE-HNNXBMFYSA-N 311.385 2.015 0 40 DEAB CN1N=C(C(=O)N(Cc2ccco2)Cc2ccco2)CCC1=O 53176878 VVFKPPLOFJNCCZ-UHFFFAOYSA-N 315.329 2.010 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)Cn1c(C)csc1=O 22559279 NRTHDVVLCXYQBU-NSHDSACASA-N 306.387 2.104 0 40 DEAB COCC(=O)OCc1nc(N)c2c3c(sc2n1)CCCCC3 53727102 GNVANLOWWLFFEG-UHFFFAOYSA-N 321.402 2.232 0 40 DEAB C[C@H](C(=O)N1CCOCC1)N1CCC(Cc2ccccc2)CC1 37547717 AFNHYTROSHCHHP-MRXNPFEDSA-N 316.445 2.188 0 40 DEAB Cc1ccc(-n2ccnc2SCCC(=O)NC(N)=O)cc1C 54360127 SVUKXRACSSUHCF-UHFFFAOYSA-N 318.402 2.166 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 42513244 KIEOGQJFTQMSGO-HZMBPMFUSA-N 305.765 2.045 0 40 DEAB C[C@H](Cc1ccc(Br)cc1F)NS(C)(=O)=O 71889158 QMURUSZQJVHLPI-SSDOTTSWSA-N 310.188 2.068 0 40 DEAB COc1ccccc1OCCNC(=O)c1ccc2[nH]cnc2c1 12532206 DRXGUFBRCPQAGF-UHFFFAOYSA-N 311.341 2.380 0 40 DEAB CC(C)c1nn(C)cc1CNC[C@@H]1COc2ccccc2O1 42907646 FBTFQSHDHIUVQN-CQSZACIVSA-N 301.390 2.473 0 40 DEAB CCOC(=O)N1CCN(Cc2nc(C)c3ccccc3n2)CC1 24247940 DDJAANNTLYOOKA-UHFFFAOYSA-N 314.389 2.212 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100159449 IVAWDFYOOSCURA-IZKTWJBDSA-N 308.381 2.418 0 40 DEAB O=C(N[C@]1(C(=O)O)CCSC1)c1cc(Cl)c(Cl)[nH]1 43508547 BYVNHONFDUKKNA-SNVBAGLBSA-N 309.174 2.012 0 40 DEAB C[C@@H](NC(=O)NCc1ccco1)c1ccc2c(c1)NC(=O)CO2 47955075 SOFKJFGVPCTCNI-SNVBAGLBSA-N 315.329 2.171 0 40 DEAB COC(=O)COc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1 20244067 LWYNSPRTFTWYES-INIZCTEOSA-N 312.325 2.093 0 40 DEAB C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1ccccc1F 27555360 ZMHSMYXHXJAFQG-NSHDSACASA-N 320.389 2.424 0 40 DEAB Cc1cc(Br)ccc1C(=O)N1CC[C@@H](C(=O)O)C1 62119200 IXFVKITVRYKHEN-SECBINFHSA-N 312.163 2.304 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)CCc1ccc2c(c1)OCO2 44891534 JHTYKKVJVSHNKR-UHFFFAOYSA-N 301.346 2.337 0 40 DEAB Cn1ccc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)n1 58265805 PZDNIVKAUSWYAM-AWEZNQCLSA-N 316.380 2.410 0 40 DEAB CC[C@H](c1ccccc1)[C@H]1CCCN1CCC(=O)NC(N)=O 58209694 JUAAMOIEKHZJIT-HUUCEWRRSA-N 303.406 2.230 0 40 DEAB C[C@H](OCc1ccccc1)C(=O)NCc1ccc(N(C)C)nc1 44918726 MYQGXDLVVGQBIC-AWEZNQCLSA-N 313.401 2.369 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc(OCC(F)(F)F)cc2)C1 44979054 QZMYTVDIHVJQAL-QMMMGPOBSA-N 303.236 2.065 0 40 DEAB COc1c(CNC[C@@H](c2ccccc2)N(C)C)c(C)nn1C 58393353 HGMPMXDNSSKANX-INIZCTEOSA-N 302.422 2.130 0 40 DEAB CC(=O)NCCCCCC(=O)N1CCO[C@@H](c2ccccc2)C1 48273129 OXYCPTFQSBOCAB-QGZVFWFLSA-N 318.417 2.283 0 40 DEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NC(C)(C)C)c1 3552399 PZKXBQOCYBXRDT-UHFFFAOYSA-N 318.826 2.119 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCc1ccsc1 8232985 MWQKYXAUFHIEMR-HNNXBMFYSA-N 314.410 2.120 0 40 DEAB CS(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 13947207 HAUIDJLCXSNWKH-UHFFFAOYSA-N 309.218 2.075 0 40 DEAB CCN1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 65475124 GXWUJAUUIVOLNK-AWEZNQCLSA-N 306.454 2.408 0 40 DEAB CCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC 5307358 UJZQBDQIHYMVQI-UHFFFAOYSA-N 314.407 2.074 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)NCc1ccccc1 14197974 YCGSSMIUVRJALA-UHFFFAOYSA-N 312.369 2.500 0 40 DEAB CC(C)(C)c1cn2nc(N[C@H]3CCc4ncnn4C3)sc2n1 69515395 XRLRVXGCCCVHIK-VIFPVBQESA-N 317.422 2.107 0 40 DEAB CCC[C@@H](O)CC(=O)O[C@H](C)C(=O)N1CCc2ccccc21 69974250 GVUZBTXNOGHHON-TZMCWYRMSA-N 305.374 2.059 0 40 DEAB CCOC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 4673431 FIPFEOQLTKCEPN-AWEZNQCLSA-N 313.419 2.251 0 40 DEAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O 4648646 MQBCYTVYNVEQAX-KPKJPENVSA-N 321.354 2.380 0 40 DEAB CC(=O)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 6650166 PMFOLFXYHSAONJ-UHFFFAOYSA-N 307.309 2.378 0 40 DEAB Cc1ccc2[nH]c3c(c(=O)c2c1)CN(C(=O)C(F)(F)F)CC3 67172598 DVHXIIGOLHXJOC-UHFFFAOYSA-N 310.275 2.284 0 40 DEAB COC(=O)c1cccc(OCC(=O)NCCc2ccccc2)c1 7031021 ZGKCGUOGCHUYAK-UHFFFAOYSA-N 313.353 2.211 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccco2)cc1 8709164 ULXAPSOOQAHXME-SNVBAGLBSA-N 309.343 2.106 0 40 DEAB CNC(=O)c1cccc(C(=O)NCC2(CCOC)CCCC2)c1 83882331 WBHQYABHBLBEKK-UHFFFAOYSA-N 318.417 2.373 0 40 DEAB O=C(COc1cccc(-c2nc[nH]n2)c1)NCc1cccs1 71922433 KIKMRPPNYCAUSG-UHFFFAOYSA-N 314.370 2.228 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NCCc2cccs2)c1C 9337644 IQWDYFPFOJEHNO-UHFFFAOYSA-N 306.387 2.452 0 40 DEAB C[C@@H](OC(=O)COc1ccc2oc3ccccc3c2c1)C(N)=O 9785590 QRRBHKTTZCNVGL-SNVBAGLBSA-N 313.309 2.382 0 40 DEAB CC(C)(C)[C@@H]1CCCN(C(=O)C[C@H]2CCS(=O)(=O)C2)CC1 96407296 RCOYWFFZTQEKLO-ZIAGYGMSSA-N 315.479 2.486 0 40 DEAB Cc1ccc(C)c(NC(=O)c2cc(C)c3c(=O)[nH]c(O)nc3n2)c1 72292825 JQIDWUIUVXKKSP-UHFFFAOYSA-N 324.340 2.201 0 40 DEAB Cn1nc(C(C)(C)C)cc1C(=O)Nc1nc2c(s1)COCC2 75440490 LMVTWZAOPWWYFW-UHFFFAOYSA-N 320.418 2.499 0 40 DEAB CCc1nnc(CN2CCC(Oc3cccc(C)n3)CC2)o1 97082882 XSHSBXAUEQPLDU-UHFFFAOYSA-N 302.378 2.379 0 40 DEAB Cn1cc(N2CCC[C@H](Nc3nc(N)c4ccccc4n3)C2)cn1 97031870 IYGGPIQKMCWUPW-LBPRGKRZSA-N 323.404 2.026 0 40 DEAB COC(=O)[C@H]1CCC[C@H]1C(=O)Nc1ccccc1-n1ccnc1 97233301 KNGTUNZCKJDSOJ-OLZOCXBDSA-N 313.357 2.400 0 40 DEAB CCn1cc(C(=O)NCCCN(C)c2cccc(F)c2)cn1 72568536 LBTKXNSGMVOADI-UHFFFAOYSA-N 304.369 2.298 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 89938429 PHJDJLKNHQKYLK-NSHDSACASA-N 324.808 2.277 0 40 DEAB CCCn1cc([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)cn1 95408365 QZZIHZNDHRVQMK-HNNXBMFYSA-N 302.422 2.446 0 40 DEAB COCc1c(Cl)cccc1NC(=O)CN1CCCCC1=O 95414303 LWDUVAZQDBIIKT-UHFFFAOYSA-N 310.781 2.437 0 40 DEAB CC(=O)N1CC[C@H](NC(=O)[C@@H](O)c2ccccc2)c2ccccc21 95441646 NRQNKBNWUFOPNM-WMZOPIPTSA-N 324.380 2.334 0 40 DEAB C[C@@H]1CC[C@H](CO)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 95444608 CNXHFNCFSWHWNI-FROLJDDGSA-N 303.358 2.048 0 40 DEAB Cc1ccnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 95960461 ZAPJSBOLHYYCNO-GFCCVEGCSA-N 305.403 2.386 0 40 DEAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cccc(O)c2)C1 78904486 NQGCVDXXMKIIIE-XUHFEKCNSA-N 324.446 2.271 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2c(s1)CCCC2 78912656 IKEVQKIZQGUMIT-VIFPVBQESA-N 303.387 2.201 0 40 DEAB CC1(C)CN(C(=O)CCCOCc2ccccc2)CC[S@@]1=O 79070870 LXUNZKWWAVZZQT-JOCHJYFZSA-N 323.458 2.353 0 40 DEAB CC(=O)Oc1ccc(CN2CCC(n3cncn3)CC2)cc1 79059201 HLMKOBGTKVOZJV-UHFFFAOYSA-N 300.362 2.041 0 40 DEAB CC[C@@H](C)NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1322709 LJYAPZCCTUOXCS-SNVBAGLBSA-N 300.358 2.182 0 40 DEAB biogenic COc1cccc(-c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)n[nH]2)c1 32610847 MTKYFCYANUAAQF-VXGBXAGGSA-N 315.373 2.335 0 40 DEAB C[C@@](NC(=O)c1nccc2ccccc12)(C(N)=O)c1ccccc1 78979445 HSCZARPBERCEDT-IBGZPJMESA-N 319.364 2.365 0 40 DEAB CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(Cl)ccc21 181827792 RUFBDMNTAIAOTJ-UHFFFAOYSA-N 320.776 2.147 0 40 DEAB CCOc1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc1 38783885 ZDIFTAHKTGERED-UHFFFAOYSA-N 321.340 2.136 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4cccnc4)oc3c2)C1 70461396 LSQOJLYWQPRIDR-NSHDSACASA-N 323.308 2.327 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)CCn2nccc2C)C1 72385628 MQNCCESYGBENLT-CQSZACIVSA-N 301.394 2.019 0 40 DEAB Cc1cc(C)cc([C@H](NS(=O)(=O)c2ccco2)C(=O)O)c1 558735709 AXMFYJRQMMJKOD-ZDUSSCGKSA-N 309.343 2.001 0 40 DEAB Cc1cccc(CCN2CCN(c3cncc(F)c3)CC2)n1 566169623 FYHURWHFXWSSNM-UHFFFAOYSA-N 300.381 2.289 0 40 DEAB C[C@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C1CCCC1 72324395 WOFCRUMCNGZOQB-CYBMUJFWSA-N 317.433 2.207 0 40 DEAB C[C@@H]1CCC[C@](CNC(=O)N2CCOC(C)(C)C2)(N(C)C)C1 131783498 BTWQPFCLROULFB-PBHICJAKSA-N 311.470 2.317 0 40 DEAB COC(=O)[C@@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C 80328161 DGCRNPNDGDPJMJ-SECBINFHSA-N 321.764 2.032 0 40 DEAB O=C1NN=CC=C2C1=CNc1c(-c3ccc(Cl)cc3)cnn12 40397365 IENRRISMZUFKBK-UHFFFAOYSA-N 311.732 2.469 0 40 DEAB CCN(CC)CCNC(=O)c1cn(-c2ccc(F)cc2)cn1 227115364 LZLOXYVAIRTBEC-UHFFFAOYSA-N 304.369 2.083 0 40 DEAB COCCOCc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 47591085 WZBSSWHYWONETB-ZDUSSCGKSA-N 308.378 2.102 0 40 DEAB O=C(CNC1(C(=O)NCC2CC2)CCCC1)Nc1ccccc1 85938344 WLZOWTHDLZHOSJ-UHFFFAOYSA-N 315.417 2.054 0 40 DEAB CN(C)C(=O)c1ccc(CN2CCOc3cc(F)ccc32)[nH]1 191967608 LEOFPRZWHRRVOC-UHFFFAOYSA-N 303.337 2.255 0 40 DEAB CCN(c1ccc(C(=O)N[C@@H](C)C(C)C)cc1)S(C)(=O)=O 225209316 IACQAHTZJCNVOT-LBPRGKRZSA-N 312.435 2.247 0 40 DEAB Cc1noc(C)c1CCNC(=O)NC[C@](C)(O)c1cccs1 96417740 LPJYOSVMJYXTOV-HNNXBMFYSA-N 323.418 2.102 0 40 DEAB CS[C@H]1CCC[C@H](NC(=O)c2c(C)nn3cccnc23)C1 96409456 XOAIKZLMBQLXDG-RYUDHWBXSA-N 304.419 2.442 0 40 DEAB C[C@@H](NC(=O)CCc1cnn(C)c1)c1cccc(-n2ccnc2)c1 96432123 DKWMIPFQPVMFOR-CQSZACIVSA-N 323.400 2.416 0 40 DEAB c1ccc(-c2cn3c(n2)CO[C@@H](CNC2CCOCC2)C3)cc1 96112889 MTBAQTIDYFEOBB-INIZCTEOSA-N 313.401 2.218 0 40 DEAB biogenic,in-vitro NC(=O)CNC(=O)c1cccc(N[C@@H]2CCC[C@H](C3CC3)C2)c1 92154604 HIFYFKVVFSIZPK-DZGCQCFKSA-N 315.417 2.282 0 40 DEAB COc1ccc(CN2CCn3c(Cn4cccn4)cnc3C2)cc1 96061808 TZRMKMTWNMQGOV-UHFFFAOYSA-N 323.400 2.152 0 40 DEAB O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc[nH]n1 96408178 LMHJZQAXBCRMNA-SNVBAGLBSA-N 322.315 2.020 0 40 DEAB Cc1cccc(Cl)c1NC(=O)N[C@H](C)CN1CCOCC1 97095189 XNXHQOGZFSBHSS-GFCCVEGCSA-N 311.813 2.491 0 40 DEAB CC[C@H](CNC(=O)c1cc(C)n(C)n1)Oc1ccccc1F 96451709 GJXCPUIVKXFXEN-GFCCVEGCSA-N 305.353 2.455 0 40 DEAB c1ncn(Cc2nnc(SCc3ccc4c(c3)CCC4)o2)n1 96406966 BZNPZRVVIMNBCR-UHFFFAOYSA-N 313.386 2.490 0 40 DEAB CC(C)CN1CCC[C@]1(C(=O)N1CCCC1)c1cnccn1 257204814 AWJQOKCHRPMVJF-QGZVFWFLSA-N 302.422 2.046 0 40 DEAB CCN(CC)C(=O)[C@@H](C)n1cc(COc2ccccc2)nn1 257173445 NPZOAQGCZRUTIW-CYBMUJFWSA-N 302.378 2.287 0 40 DEAB COc1ccccc1[C@@H]1CN(C(=O)c2cccn2C)CCN1C 257274429 NLAVXLDGIPWXEE-INIZCTEOSA-N 313.401 2.163 0 40 DEAB CCN1C(=O)C[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1OC 257317684 VKUBRARGENZPSL-PBHICJAKSA-N 316.401 2.131 0 40 DEAB COc1ccc([C@H]2CN(Cc3cnn(C)c3C)CCN2C)cc1 257266352 MCQILGXHEGRRDZ-GOSISDBHSA-N 314.433 2.226 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2cnccn2)s1 257282073 OSFZSWSEIKYTGW-ZDUSSCGKSA-N 302.403 2.456 0 40 DEAB CN([C@H](C(=O)Nc1ccccc1)c1ccccc1)S(C)(=O)=O 260841229 KUCYNVJXEVGRCY-HNNXBMFYSA-N 318.398 2.258 0 40 DEAB O=C(O)[C@H]1CCO[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 263219514 QJUBSGNKWNUJOK-HOCLYGCPSA-N 309.406 2.295 0 40 DEAB O=C1CCCN1CC[C@@H]1CN(Cc2ccco2)Cc2ccnn21 585112920 YQSSGKHZXBRBGC-OAHLLOKOSA-N 314.389 2.046 0 40 DEAB CCN1CCC[C@@H](NC(=O)N2CCOc3ccc(F)cc3C2)C1 494393638 PKDCNZXIWVVJFB-OAHLLOKOSA-N 321.396 2.214 0 40 DEAB COCCCNC(=O)NCCCn1c(C)nc2ccccc21 42901561 ZLYGMYZKIQGOGT-UHFFFAOYSA-N 304.394 2.071 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](Oc2cnsn2)C1 828147203 VYUPYBFUMIGRHR-LLVKDONJSA-N 314.370 2.313 0 40 DEAB O=C(NCc1ccc(N2CCCCC2)nc1)Nc1nncs1 47497953 ZESODZIYVMNJKL-UHFFFAOYSA-N 318.406 2.245 0 40 DEAB CC(C)(C)c1nnc(NC(=O)NCCN2CCCCC2)s1 56736768 YQKIQAZGPDKKJT-UHFFFAOYSA-N 311.455 2.443 0 40 DEAB COC(=O)N1CCC[C@H](C(=O)Nc2nc(C3CC3)cs2)C1 104314128 QBRJAGSRVAJVCC-JTQLQIEISA-N 309.391 2.437 0 40 DEAB CCNC(=S)Nc1cccc(S(=O)(=O)N(CC)CC)c1 5940078 VGFHOSICGNNYPM-UHFFFAOYSA-N 315.464 2.023 0 40 DEAB Cc1cccc(CN2CCc3nc(C(C)C)[nH]c(=O)c3CC2)n1 19236315 WLEVCTCAOXBCHI-UHFFFAOYSA-N 312.417 2.198 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 169616477 ISDSLAVHEPKUHD-FWXGHANASA-N 323.348 2.031 0 40 DEAB COC(=O)c1ccc(CSc2ncnc3nc[nH]c23)cc1 12139022 JAVRHYFVZDKTHH-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB C[C@H](Sc1nncn1C)C(=O)NC[C@@H](C)c1ccccc1 12976526 HCGAZUFNFXDLJN-NEPJUHHUSA-N 304.419 2.216 0 40 DEAB CCn1c(S)nnc1[C@@H]1CC(=O)N(Cc2ccccc2)C1 1889104460 FRTXOUVPRWENHU-GFCCVEGCSA-N 302.403 2.103 0 40 DEAB COC[C@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2cn(C)nc21 1142541325 CHBNOIGMGJVJDY-RHSMWYFYSA-N 303.406 2.239 0 40 DEAB O=c1ccc(-c2ccc3c(c2)OCO3)nn1Cc1cccnc1 5380860 NVOHRMBVZNKQHJ-UHFFFAOYSA-N 307.309 2.082 0 40 DEAB COCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038568 PECGDOLJFYHDKH-UHFFFAOYSA-N 324.380 2.470 0 40 DEAB CCOc1ccc(-n2nnnc2CNC(=O)C(CC)CC)cc1 9570433 LIRKIISTOIXGGV-UHFFFAOYSA-N 317.393 2.113 0 40 DEAB Cc1nn(C)cc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 11923700 ZNJHHFSCYJFHQX-LBPRGKRZSA-N 307.419 2.028 0 40 DEAB C[C@H]1CN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@@H](C)O1 13959651 PBSWDSXGSJRPSU-BETUJISGSA-N 319.401 2.415 0 40 DEAB O=C(Cn1nnc2ccccc21)NCc1cncc(C2CC2)c1 575620447 SRBHCJVMQVSDLB-UHFFFAOYSA-N 307.357 2.020 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC(Nc2cccnn2)C1 618255787 IYMACNGGJGJRHW-UHFFFAOYSA-N 318.764 2.075 0 40 DEAB CCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21 5686894 FKBKBGAESKCVKF-UHFFFAOYSA-N 309.325 2.374 0 40 DEAB NC(=O)C1CCN(C(=O)CCCOc2ccccc2Cl)CC1 50256936 PDVNOKBNSCSSCI-UHFFFAOYSA-N 324.808 2.223 0 40 DEAB Cc1[nH]ccc(=O)c1OCC(=O)NCc1ccccc1Cl 40268467 BNWGEKFTKUWNKV-UHFFFAOYSA-N 306.749 2.032 0 40 DEAB O=C(NCCOC(=O)c1ccccc1Cl)c1ccncc1 2679761 LTFSZAGWQVJBSE-UHFFFAOYSA-N 304.733 2.322 0 40 DEAB Cc1cccc(C(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)c1 3131286 MTZNXGQGAJJWMV-UHFFFAOYSA-N 321.340 2.223 0 40 DEAB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCCC1 4834556 QUALBBCJPKPRSQ-UHFFFAOYSA-N 300.337 2.113 0 40 DEAB O=C(c1ccc(F)cc1Cl)N1CCN(c2cnccn2)CC1 11544460 ILZQAOLYOQZGDI-UHFFFAOYSA-N 320.755 2.232 0 40 DEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C)o1)n2CC 6907368 ZJKCDJYNVDOTKM-UHFFFAOYSA-N 316.361 2.275 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCO2 8222000 RELFCIUXRFGQHO-PWSUYJOCSA-N 304.346 2.049 0 40 DEAB O=C(c1nnc2sc(-c3ccc(F)cc3)nn12)N1CCCC1 57354607 HNZVDRPINLISKH-UHFFFAOYSA-N 317.349 2.228 0 40 DEAB CCCc1nnc(S)n1CC(=O)N1CCc2ccccc21 32901649 WKTSOIZJXXYPHR-UHFFFAOYSA-N 302.403 2.109 0 40 DEAB Cc1cccc(OCC(=O)Oc2cccc(-n3cnnn3)c2)c1C 21798492 ZMIYCVIGJDJKSS-UHFFFAOYSA-N 324.340 2.264 0 40 DEAB Cc1ccccc1OCCOC(=O)c1cccc(-n2cnnn2)c1 12095961 NBSGDQUZGAOWGC-UHFFFAOYSA-N 324.340 2.207 0 40 DEAB COc1ccc(Cn2nnnc2SCc2ccncc2)cc1 60710584 SDQSZCCPQVQRLX-UHFFFAOYSA-N 313.386 2.417 0 40 DEAB CN(C(=O)CCC(F)(F)F)c1ccccc1S(C)(=O)=O 83869789 IDUHSZBUEQACMS-UHFFFAOYSA-N 309.309 2.395 0 40 DEAB O=S1(=O)CC[C@@H](NCc2ccc(-c3ccccc3F)o2)C1 53994426 LTFSQKVECQMOMW-LLVKDONJSA-N 309.362 2.362 0 40 DEAB Cc1ccc(-c2nc(CC(=O)N3CCN(C)C[C@@H]3C)cs2)o1 89656204 JHBDILJTLGBARI-NSHDSACASA-N 319.430 2.417 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@H]2Cc3ccc(C)cc3S2)CC1 55199948 HNELLSAUBFWXEG-MRXNPFEDSA-N 318.442 2.093 0 40 DEAB Cc1ccsc1CN(C)c1cc(N2CCC[C@H]2CO)ncn1 106929000 OLXQVMAVNYADRG-ZDUSSCGKSA-N 318.446 2.444 0 40 DEAB CCOc1cc2c(cc1CNC(=O)[C@H]1CCCO1)O[C@H](C)C2 25395262 LKWGOMWLRIWXAE-BXUZGUMPSA-N 305.374 2.204 0 40 DEAB CCN(C)C[C@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 110632147 YEEFDXAVUKNBLG-QAPCUYQASA-N 316.445 2.491 0 40 DEAB CCN(Cc1nonc1C)S(=O)(=O)c1cc(C)ccc1C 28232929 QXGJGIBNIDSCQS-UHFFFAOYSA-N 309.391 2.206 0 40 DEAB CCNC(=O)NC1CCC(OC(=O)c2ccc(OC)cc2)CC1 58213186 ORPOFWVSMAODKS-UHFFFAOYSA-N 320.389 2.482 0 40 DEAB CNc1snc(C)c1C(=O)N[C@@H]1COc2ccccc2C1 58218482 WJEHPQNHZHPCNQ-NSHDSACASA-N 303.387 2.227 0 40 DEAB COc1ccc(CNC(=O)c2cc3ccccc3[nH]c2=O)cc1 12615946 RVTJXHULZWEWKL-UHFFFAOYSA-N 308.337 2.467 0 40 DEAB CC(C)N(CC(N)=O)C(=O)CCCc1nc2ccccc2s1 3371824 UTEUHFQISKWBEU-UHFFFAOYSA-N 319.430 2.341 0 40 DEAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cnccn3)n2)C1 12789916 JRNMFFWPYWNLBK-NSHDSACASA-N 317.418 2.417 0 40 DEAB O=C(NC1CCN(C(=O)c2cccs2)CC1)c1cccnc1 61720635 GNRLLLLIODZDOS-UHFFFAOYSA-N 315.398 2.178 0 40 DEAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CC1 8035044 NAJHWMIVORTKDV-UHFFFAOYSA-N 310.353 2.487 0 40 DEAB O=C(O)c1nnn(-c2ccc(F)c(F)c2)c1-c1ccccn1 65288248 FFJDQQUHAPFJRR-UHFFFAOYSA-N 302.240 2.306 0 40 DEAB O=C(NCc1ccc(F)cc1)N1CCCC[C@@H]1C1OCCO1 69257239 KZKIUYPPVYNTNZ-CQSZACIVSA-N 308.353 2.263 0 40 DEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(F)c1 6349600 ZHMJWTCMOHHKAN-ZDUSSCGKSA-N 302.309 2.269 0 40 DEAB CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N[C@H]1CCCNC1=O 70009556 QUPKYEGEGILYLB-NFGUQPCJSA-N 316.401 2.272 0 40 DEAB COc1c(CNC[C@H](C)N2CCc3ccccc32)c(C)nn1C 65474729 OSACNHPXIYSODN-ZDUSSCGKSA-N 314.433 2.278 0 40 DEAB C[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc2c(c1)CCCC2 65410774 QAWMCAWTWUZEOF-ZDUSSCGKSA-N 319.430 2.129 0 40 DEAB Cn1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)n1 14139138 UTLVRFSYQBXNDA-UHFFFAOYSA-N 303.347 2.103 0 40 DEAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)Nc1nncs1 69563872 BSRNHSZIAVOVNY-SNVBAGLBSA-N 305.407 2.357 0 40 DEAB CCc1nnc2ccc(S(=O)(=O)Nc3ccccc3)cn12 67172409 TXUYPEZZFHNKSY-UHFFFAOYSA-N 302.359 2.093 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)Cn2c(C)csc2=O)c1C 69619634 PHGCICRKODAULP-UHFFFAOYSA-N 322.386 2.223 0 40 DEAB O=S(=O)(NCc1ccco1)c1ccc2c(c1)N=C(O)CS2 15677254 NESFJKRNSZYVTN-UHFFFAOYSA-N 324.383 2.452 0 40 DEAB CCOCCN1CCN(CCc2ccc(OC)cc2)C[C@@H]1C 69926615 PQJSHJXQORIPEY-INIZCTEOSA-N 306.450 2.280 0 40 DEAB O=C(NCc1ccc(O)c(F)c1)c1cn(-c2ccccc2)nn1 71915911 AEQAIACSWQXTOH-UHFFFAOYSA-N 312.304 2.042 0 40 DEAB CC(C)COC[C@H](C)Nc1cnn(C)c(=O)c1Br 71903119 RNNFCSQJBPBCIQ-VIFPVBQESA-N 318.215 2.016 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1 9470584 NCFCGVXYHAWTGG-SNVBAGLBSA-N 303.387 2.479 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)NCCS(=O)(=O)CC)cc1 71794685 PYYDYCNBZUQRNQ-GFCCVEGCSA-N 312.435 2.044 0 40 DEAB COc1cc(CCNC(=O)Cc2ccccc2O)ccc1F 96492675 GCTMXBYPYRFQFW-UHFFFAOYSA-N 303.333 2.441 0 40 DEAB COC(=O)CCCN1CCC(C(=O)Nc2cccc(F)c2)CC1 96409563 LETLUGWLOTVMCX-UHFFFAOYSA-N 322.380 2.429 0 40 DEAB O=C(OCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C1CCC1 61096203 TXCLQXZBVKXZBK-OAHLLOKOSA-N 321.348 2.069 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H](c3cc(C)[nH]n3)C2)on1 84110807 LDKIKIALHZXRIW-STQMWFEESA-N 317.393 2.221 0 40 DEAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc2c(C)cccn12 89949137 NQFJFVJWFBSNJH-WBVHZDCISA-N 314.433 2.379 0 40 DEAB CC[C@H](NC(=O)c1ccnc(F)c1)c1nnc2n1CCCCC2 72271640 NLUQSSQRNKSZQV-LBPRGKRZSA-N 317.368 2.420 0 40 DEAB Cc1cnn(CCNCC(=O)N[C@@H](C)c2ccc(C)c(C)c2)c1 72253050 QGFYJPWLHFLJJD-INIZCTEOSA-N 314.433 2.275 0 40 DEAB CC(C)[C@@H](CN=[N+]=[N-])NS(=O)(=O)c1ccccc1[N+](=O)[O-] 72233708 JUFDUUZKNPZVQC-SECBINFHSA-N 313.339 2.208 0 40 DEAB C[C@@H](COCc1ccccc1)C(=O)N[C@H]1CCc2nccn2C1 72278691 ROHQBVMHLATKJT-HOCLYGCPSA-N 313.401 2.167 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)Cc3c(C)noc3Cl)C2)no1 72232284 PZUNYIDGIXZWJT-SNVBAGLBSA-N 324.768 2.277 0 40 DEAB CCOc1ncnc2c1CN(c1ncnc3ccsc13)CC2 97201820 KDCVVVFHGGYKHI-UHFFFAOYSA-N 313.386 2.443 0 40 DEAB Cc1ccc(C(=O)C(=O)N2CCc3c(ncn3C3CC3)C2)cc1 95393739 QWTXPGQONHHFDH-UHFFFAOYSA-N 309.369 2.294 0 40 DEAB CC(=O)c1ccc(OCC(=O)NCCCCCCC(=O)O)cc1 95469798 PQMRQUCOCSBBSH-UHFFFAOYSA-N 321.373 2.419 0 40 DEAB O=C(Cn1ccccc1=O)Nc1ccc(F)c(-n2cccc2)c1 75606978 RAYZLENZYGGCJA-UHFFFAOYSA-N 311.316 2.417 0 40 DEAB CC[C@@H](O)CCNC(=O)NCc1ccc(Br)cc1 95418940 PMPYQONJQQCMLM-GFCCVEGCSA-N 315.211 2.409 0 40 DEAB Cn1cc(-c2noc(-c3ccc(C(=O)NC4CC4)cc3)n2)cn1 95441000 XFELBWXAAYANOC-UHFFFAOYSA-N 309.329 2.029 0 40 DEAB COC(=O)c1oc([C@@H](C)N2CCC(NC(C)=O)CC2)cc1C 95432493 WVSOIJXRBBOXPB-LLVKDONJSA-N 308.378 2.036 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N[C@@H]1C[C@@H]1C1CCCCC1 95409960 XMTVWMAVUQGUKA-ZIAGYGMSSA-N 317.437 2.035 0 40 DEAB C[C@@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1CC(N)=O 95414994 FTEIXDWNQVOSKX-KGLIPLIRSA-N 310.438 2.371 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 74195050 URQBTMCEFVTTNO-AWEZNQCLSA-N 317.433 2.159 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H](C)N[C@@H](CCO)C(C)C 95941179 BPHYZSCNTMTGKZ-KGLIPLIRSA-N 308.422 2.409 0 40 DEAB CN(CCn1cccn1)[C@@H](CO)c1cccc(Br)c1 95980920 RQVWOFMOPWDHLZ-AWEZNQCLSA-N 324.222 2.311 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@@H]1CO)Oc1cccc(Cl)c1 74781135 NNQVMFXEJKMNJM-WCQYABFASA-N 312.797 2.274 0 40 DEAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)C3CC3)cc2)no1 25594825 KOOGEHDEZZEMOR-JTQLQIEISA-N 301.346 2.485 0 40 DEAB Cn1ncnc1CNc1cc(Cl)ccc1C(=O)N1CCCC1 86201032 UMHVSQKNZIINDZ-UHFFFAOYSA-N 319.796 2.317 0 40 DEAB Cc1ccc(CO)cc1NS(=O)(=O)c1c[nH]nc1C(C)(C)C 75093591 SDFWFCCXSOMWGG-UHFFFAOYSA-N 323.418 2.309 0 40 DEAB C[C@H](NCCn1cccn1)c1cccc(N2CCOC2=O)c1 89514765 GUFOCIIEBYOHJK-ZDUSSCGKSA-N 300.362 2.191 0 40 DEAB O=C(c1cnc[nH]1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901784 PUCXRYYFZXBXJX-MRVPVSSYSA-N 313.283 2.171 0 40 DEAB CCOc1ccc(CC(=O)Nc2c[nH]nc2[C@H]2CCNC2)cc1 1549747111 RHKHDTRKZPBZDC-ZDUSSCGKSA-N 314.389 2.067 0 40 DEAB O=C(Nc1ccc(Cl)cc1Cl)N1CCN(CCO)CC1 36644023 QVNHPOOVEKLQOR-UHFFFAOYSA-N 318.204 2.135 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCC(N(C)Cc2ccccc2)CC1 79415743 RFQOZXDMQKMCHI-KRWDZBQOSA-N 303.450 2.093 0 40 DEAB CCc1nc2n(n1)[C@H](CC(=O)Nc1ccccc1Cl)C(=O)N2 31813032 JPAPLRSMWXCSOU-SNVBAGLBSA-N 319.752 2.016 0 40 DEAB COCCCNC(=O)NCc1ccc(OC(F)(F)F)cc1 32869850 BFPKKFPMLDRDKB-UHFFFAOYSA-N 306.284 2.421 0 40 DEAB O=C(NCCc1ccco1)[C@@H]1CSCN1C(=O)C1CCCC1 78602976 OBQARZZJSCJGBT-AWEZNQCLSA-N 322.430 2.030 0 40 DEAB CCc1ccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1 46088781 PENDKJDRKHQAAJ-UHFFFAOYSA-N 324.384 2.036 0 40 DEAB Cc1noc(C)c1CO[C@H]1CCN(CCO[C@@H]2CCCCO2)C1 225531975 ICDFJUZQUFHAHU-DOTOQJQBSA-N 324.421 2.426 0 40 DEAB CC(C)[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 225193406 UAXWCEANEWUIHL-CHWSQXEVSA-N 312.435 2.002 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCC(c2nnc3n2CCC3)CC1 47288776 FBDRENSGTQRPQE-AWEZNQCLSA-N 300.406 2.287 0 40 DEAB CSc1c[nH]nc1NS(=O)(=O)CCc1ccc(C)cc1 225706851 SSLNKMRLXWMHII-UHFFFAOYSA-N 311.432 2.424 0 40 DEAB O=C(NCCc1ccccc1)c1cn(-c2cccc(F)c2)nn1 44167404 CDQPDCQFARSYTH-UHFFFAOYSA-N 310.332 2.379 0 40 DEAB O=c1[nH]c(-c2ccccc2)nc2nc(Br)cnc12 225733747 ZKAATOGIOJCRAS-UHFFFAOYSA-N 303.119 2.143 0 40 DEAB COc1ccc(-n2cnc(C(=O)NCCc3ccco3)c2)cc1 226752097 FQHLPUXIWCLUEF-UHFFFAOYSA-N 311.341 2.446 0 40 DEAB CONC(=O)CNC(=O)c1ccccc1Oc1cccc(C)c1 1585638671 OSRQYABKOFUEHK-UHFFFAOYSA-N 314.341 2.195 0 40 DEAB CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)P(=O)(OC)OC 199648421 IFBZQHCUBXFYBW-QMMMGPOBSA-N 311.271 2.140 0 40 DEAB NC(=O)CSCC(=O)NC1CCC(c2ccccc2)CC1 96411186 VDNRLLRRZOBBCW-UHFFFAOYSA-N 306.431 2.048 0 40 DEAB CC[C@H](O)c1ccc(OCC(=O)NCc2c(C)noc2C)cc1 95399786 KQRHWGIFOVNESF-INIZCTEOSA-N 318.373 2.430 0 40 DEAB Cc1nc2cc(NS(=O)(=O)c3cncc(F)c3)ccc2n1C 577691926 YZHDFVTYIXKFQX-UHFFFAOYSA-N 320.349 2.217 0 40 DEAB O=C(O)c1coc(N2CCN(C/C=C/c3ccccc3)CC2)n1 577614578 IMXFAXSPYMBYBK-QPJJXVBHSA-N 313.357 2.208 0 40 DEAB O=C([C@H]1C[C@@H]2CN(Cc3ccccc3F)C[C@H]1O2)N1CCCC1 96253198 TWEOEXYZVKSHMI-HLLBOEOZSA-N 318.392 2.037 0 40 DEAB CN(C)CCO[C@H]1CN(Cc2ccc(F)cc2)[C@@H]2CCCO[C@H]12 96057453 FJCKEDGBPJKYGA-SQNIBIBYSA-N 322.424 2.136 0 40 DEAB O=C(c1cccnc1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186427 HLDZYMZDWIELMV-IRXDYDNUSA-N 321.380 2.492 0 40 DEAB COc1ccc(-c2noc([C@@H](C)NC(C)=O)c2C(=O)O)cc1 96296922 ZBGLNLSGLMZJMR-MRVPVSSYSA-N 304.302 2.246 0 40 DEAB biogenic,in-vitro CN(C)c1nccc(NC(=O)[C@H]2CSc3ccccc32)n1 96425298 AEGWEFMADXSAAX-NSHDSACASA-N 300.387 2.371 0 40 DEAB COC(=O)c1nn(C2CCCC2)cc1I 238854226 MYDSVDXBSGZHBA-UHFFFAOYSA-N 320.130 2.389 0 40 DEAB COCCN1CC[C@]2(CCCN(Cc3ccc(F)cc3)C2)C1=O 96224038 UXOIHGHIALBEED-SFHVURJKSA-N 320.408 2.287 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)NC[C@@H](O)C(C)C)c1 96420162 XBUYOPVETNBCQM-OAHLLOKOSA-N 302.378 2.319 0 40 DEAB CCOC(=O)[C@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC)c21 96086864 NHMJTEVPTLYCNE-AWEZNQCLSA-N 317.389 2.467 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)cc1C 96184389 RZKFFVRGCXUGCS-MSOLQXFVSA-N 315.461 2.040 0 40 DEAB CCN(CC)C[C@H]1CN(CC2CCOCC2)Cc2cncn21 248253558 NFRKXXNHQQMBIP-KRWDZBQOSA-N 306.454 2.008 0 40 DEAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1cc(F)cc(F)c1)C2 248149824 SWWVWQNJNRLHCG-GFCCVEGCSA-N 324.371 2.148 0 40 DEAB CCCn1cc(C(=O)N2CCC(C)(c3ccn[nH]3)CC2)cn1 257321072 VZZITEZJVKDDPB-UHFFFAOYSA-N 301.394 2.210 0 40 DEAB c1cc([C@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)ncn1 257296678 RDWRGVAFOQQTIS-HNNXBMFYSA-N 324.432 2.246 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCNC[C@H]2c2ccccc2)s1 257264568 LVAXXWXSMUPVOL-HNNXBMFYSA-N 315.442 2.476 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)CCn2nccc2C)ccn1 257344784 ZYQXVHUMTJQPKB-HNNXBMFYSA-N 313.405 2.382 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C 260772478 YRJAEXAADSZIKC-SLEUVZQESA-N 323.414 2.249 0 40 DEAB CC(C)[C@H](Cn1ccnn1)NC(=O)Cc1ccccc1Cl 575609387 XAKZHZSEUKOYJL-AWEZNQCLSA-N 306.797 2.315 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCCCn1ccnc1 42897204 OZSVSTFKTIPHJE-GFCCVEGCSA-N 320.368 2.481 0 40 DEAB Cc1nnc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)s1 46469617 WYWCUDMBECJPCM-SNVBAGLBSA-N 308.411 2.279 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N2CCCC[C@H]2C)nc1 69739719 WIOZTZDBDOSTPC-CYBMUJFWSA-N 304.394 2.303 0 40 DEAB O=C(N1CCC[C@H]1Cn1nccn1)C1(c2ccc(F)cc2)CC1 670910382 CTXPJULFDQTFFL-HNNXBMFYSA-N 314.364 2.140 0 40 DEAB Cn1nccc1C(=O)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 169750671 HNJBNZIXCHDPEH-ZDUSSCGKSA-N 323.356 2.100 0 40 DEAB Cc1nc(C(=O)N2CC[C@H]3CN(c4ccccn4)C[C@H]32)cs1 1889116544 HEPHRQZWHDNWIP-GXTWGEPZSA-N 314.414 2.197 0 40 DEAB Cc1cc(OC[C@H]2CCCN(Cc3nnc(C)n3C)C2)ccn1 1776000587 YZZXOSRAHSQVQF-HNNXBMFYSA-N 315.421 2.118 0 40 DEAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(Cl)c(Cl)c1 33632808 OMVCAAVSAIZWNU-MRVPVSSYSA-N 310.202 2.451 0 40 DEAB CC1CC(C(=O)N2CCC3(CC2)CC(NC(=O)N(C)C)C3)C1 1565545809 PNWQXULRFIGGCG-UHFFFAOYSA-N 307.438 2.075 0 40 DEAB Cc1ccc(C(=O)NCc2nnnn2-c2ccc(C)cc2)cc1 10592407 MFXRWPRKPNXHLM-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB CN(C)c1ccc(CCNC(=O)c2ccc3c(c2)OCO3)cc1 23001466 LSTDBMYMDIGVMB-UHFFFAOYSA-N 312.369 2.454 0 40 DEAB Cc1ccccc1CN1CCC[C@@H](NS(=O)(=O)C2CC2)C1 1889133902 JAKBGKCZNYECTL-OAHLLOKOSA-N 308.447 2.041 0 40 DEAB COC(=O)c1c(NC(=O)CCCc2ccccc2)c(C)nn1C 72251739 RUOAQKRPVVUPFP-UHFFFAOYSA-N 315.373 2.477 0 40 DEAB COCCN(Cc1ccoc1)C(=O)c1ccc(C(=O)OC)cc1 85474287 KIELOWZAPOTOOW-UHFFFAOYSA-N 317.341 2.355 0 40 DEAB NC(=O)C1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CC1 24599505 ZYTGFGPWQJBKSU-UHFFFAOYSA-N 320.820 2.486 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@@H]1C 533972 BJKKIOXUJOGZMN-ZFWWWQNUSA-N 304.390 2.355 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(F)cc1)c1nnc2ccccn12 30994280 ONFHINYOSORAOO-LLVKDONJSA-N 313.336 2.429 0 40 DEAB CCOc1ccc(/C=C/C(=O)N2CCOCC2)cc1OCC 147555 HBNLWCQYAQSVOC-SOFGYWHQSA-N 305.374 2.356 0 40 DEAB CCn1c(CNc2c(C)cccc2C)nnc1SCC(N)=O 410679 BWNJGWIYYVJUNN-UHFFFAOYSA-N 319.434 2.104 0 40 DEAB Cc1ccc(S(=O)(=O)NCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 780159 QQBMQXDQPAAZBC-ZIAGYGMSSA-N 324.446 2.063 0 40 DEAB O=C(O)CCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 8187241 YAXJCHMIKIMUQX-UHFFFAOYSA-N 319.342 2.199 0 40 DEAB COc1ccc2c(c1)[n+]([O-])c(-c1ccccc1Cl)c(N)[n+]2[O-] 1616544 PFVBCRHKISLJPE-UHFFFAOYSA-N 317.732 2.018 0 40 DEAB COc1cc(C(=O)N2CCSCC2)ccc1OC(F)F 40542040 FCGKSYUATRNZDY-UHFFFAOYSA-N 303.330 2.486 0 40 DEAB C[C@@H](CCCNC(=O)c1ccco1)CNC(=O)c1ccco1 6794609 GEVLZTMYVZLPCC-LBPRGKRZSA-N 304.346 2.449 0 40 DEAB NC(=O)[C@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccccc1 46186793 OUGKJXRFBPEKCD-MRXNPFEDSA-N 318.323 2.240 0 40 DEAB COCCNC(=O)CSc1cc(C)c2ccc(OC)cc2n1 2625507 LINMDGWTLNGJQM-UHFFFAOYSA-N 320.414 2.407 0 40 DEAB COc1ccccc1NC(=O)Cn1c(C)nc2ccccc2c1=O 416083 XOWPAPKEBTYMAF-UHFFFAOYSA-N 323.352 2.352 0 40 DEAB Cc1ccc2c(CC(=O)NCc3nnc4n3CCC4)coc2c1C 22190599 FBTREHQDOAYPOF-UHFFFAOYSA-N 324.384 2.446 0 40 DEAB CC1(C)NC(=O)N(Cc2cc(Br)ccc2F)C1=O 47348535 NQONAEXTBJCLBQ-UHFFFAOYSA-N 315.142 2.419 0 40 DEAB CC[C@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 41881090 PWJJOBRNOOPXQN-GOEBONIOSA-N 313.405 2.106 0 40 DEAB CCN1CCC[C@H]1CNC[C@@H](O)COc1c(C)ccc(C)c1C 22921016 XBKYGHLSVYDCGL-ZWKOTPCHSA-N 320.477 2.425 0 40 DEAB NC(=O)c1cccc(C(=O)Nc2ccc(N3CCCC3)cn2)c1 23137756 ACRDDUQWAPLYES-UHFFFAOYSA-N 310.357 2.033 0 40 DEAB O=C(OCCO)c1nc(-c2ccccc2)n2c1CCCCC2 47732120 XODIDWYSJYANHS-UHFFFAOYSA-N 300.358 2.426 0 40 DEAB O=C(/C=C/c1ccco1)OCC(=O)N1CCc2ccccc2C1 3239894 SGUZTUXXQLCVGW-BQYQJAHWSA-N 311.337 2.421 0 40 DEAB O=C(NCc1cn2ccccc2n1)NC[C@H]1Cc2ccccc2O1 48016301 FLXDQDPOKJWAQV-OAHLLOKOSA-N 322.368 2.137 0 40 DEAB C[C@H](NC(=O)[C@H](C)S(=O)(=O)c1ccccn1)c1ccccc1 44946942 BFDLSDUBUKGVON-STQMWFEESA-N 318.398 2.121 0 40 DEAB O=C(NCCCn1ccnc1)N[C@H]1CCOc2ccccc21 44946421 DFMSFBIFLXGSDY-AWEZNQCLSA-N 300.362 2.096 0 40 DEAB CCCn1c(SCc2cccc3c2OCCO3)n[nH]c1=O 48325685 JXTVANJOYMDHDN-UHFFFAOYSA-N 307.375 2.045 0 40 DEAB CC(C)CO[C@@H](C)C(=O)Nc1ccc(OCC(=O)N(C)C)cc1 48790783 WVYAHPMRGAXZKI-ZDUSSCGKSA-N 322.405 2.153 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)C2CCN(C(N)=O)CC2)cc1 13042266 LVMDUJLUPDDUHN-GFCCVEGCSA-N 303.406 2.217 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCc1ccc(OC)cc1OC)C(=O)O 5156974 LUFXZELGPZHWKQ-YGRLFVJLSA-N 324.377 2.002 0 40 DEAB O=C(O)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl 20200004 YZATWMCOPGZJDF-UHFFFAOYSA-N 312.174 2.137 0 40 DEAB O=c1[nH]ncc(NCc2cnn(-c3ccccc3)c2)c1Cl 14315072 WJJOVIGYZNFTPC-UHFFFAOYSA-N 301.737 2.221 0 40 DEAB CC[C@](C)(O)CNC(=O)Nc1ccc(OCCOC)c(F)c1 66160963 OSHQFPAFZQATQZ-HNNXBMFYSA-N 314.357 2.133 0 40 DEAB Cc1nc2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)ccc2n1C 69809976 IEAOTKGJATWRBK-OAHLLOKOSA-N 323.400 2.383 0 40 DEAB COC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)ccc1OC 5645121 DNHHPIPUGQHANS-ZDUSSCGKSA-N 324.764 2.492 0 40 DEAB O=C(OCC(=O)N1CCCCCC1)c1n[nH]c2ccccc12 4824532 XJNGLYUBJBZTFG-UHFFFAOYSA-N 301.346 2.122 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H](C)n2ccnc2)n1 69951345 MMGBFLRNBHFURJ-CVEARBPZSA-N 315.421 2.339 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cc(F)cc2cccnc12 69900445 VCQPGUPFCRJNBJ-WCQYABFASA-N 301.365 2.460 0 40 DEAB Cc1cc(C)n(C2CN(Cc3nc(-c4ccccn4)no3)C2)n1 69974757 AIQAEMOAVGBSIV-UHFFFAOYSA-N 310.361 2.002 0 40 DEAB NC(=O)c1ccc(COC(=O)c2cncn2-c2ccccc2)cc1 16121247 JDAJDFRNYOFNNK-UHFFFAOYSA-N 321.336 2.328 0 40 DEAB C[C@@H](CO)NC(=O)N[C@@H](CC1CCOCC1)c1ccccc1 96004721 AWMCZIXMXZMGAH-BBRMVZONSA-N 306.406 2.224 0 40 DEAB COc1cccc2cc(CNC(=O)N3CCC[C@H](O)C3)oc12 71795687 XXLWZWOJEJTQGA-LBPRGKRZSA-N 304.346 2.108 0 40 DEAB Cc1ccsc1CNC(=O)[C@@H]1Cc2ccccc2C(=O)O1 23137925 ARJJZCVSDKDRJH-ZDUSSCGKSA-N 301.367 2.454 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1cc[nH]n1)c1ccccn1 89849339 LUTGPNFKHGWCIK-INIZCTEOSA-N 308.341 2.333 0 40 DEAB CC(C)(C)c1nc(C(=O)N[C@@H]2CCc3nccn3C2)cs1 72282641 MDGXVXATHKSYRT-SNVBAGLBSA-N 304.419 2.382 0 40 DEAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC2(CCC2)C1 97110721 LXSDJBCHHKPPBT-AWEZNQCLSA-N 302.374 2.266 0 40 DEAB COc1ccnc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 97150682 PKEYWWJCNIOOSN-NSHDSACASA-N 321.402 2.086 0 40 DEAB O=C(Nc1ccccn1)[C@H]1CCCN(c2ncccc2F)C1 97227495 HAKQQYPNWFCMNU-LBPRGKRZSA-N 300.337 2.471 0 40 DEAB C[C@H](C(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1)c1ccsc1 76052749 QDJDAJDRRVFDDG-KCQAQPDRSA-N 308.447 2.031 0 40 DEAB O=C(CSCc1cc(=O)n2ccsc2n1)OC1CCCC1 84618399 JSAFDJLEFWYWLS-UHFFFAOYSA-N 324.427 2.475 0 40 DEAB CC(C)CC[S@@](=O)CC(=O)NCc1cc(F)cc(F)c1 95417857 HIFJBUDDTWWYIT-FQEVSTJZSA-N 303.374 2.376 0 40 DEAB CC(C)(C)c1n[nH]c([C@@H]2CN(CCc3ccncc3)CCO2)n1 78893366 QSIFRFRSUUTLDL-AWEZNQCLSA-N 315.421 2.113 0 40 DEAB O=C(N[C@@H]1C=C[C@H](CO)C1)c1c(F)cccc1Br 88392114 MUQHLKNDOKVPHX-DTWKUNHWSA-N 314.154 2.255 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCN([C@@H](C)c2cccc(F)c2)CC1 95996132 SGIVMFYVSYMEOQ-BBRMVZONSA-N 307.413 2.014 0 40 DEAB COc1cccc(OC)c1C(=O)NC(=S)NC1CCCC1 21596218 LDPUZUNUHUPDDI-UHFFFAOYSA-N 308.403 2.251 0 40 DEAB CCc1ccc(CNC(=O)C(=O)NCc2ccccc2C)cc1 408707192 KNHLBHACWGPMSB-UHFFFAOYSA-N 310.397 2.490 0 40 DEAB CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2ccccc2O)C1 78394425 XWAMSWUKRAIFBR-GFCCVEGCSA-N 320.389 2.379 0 40 DEAB Cc1ccccc1[C@@H]1CN(c2cnn(C)c(=O)c2Cl)CCO1 78367502 CMEUWRTZOZWCAS-AWEZNQCLSA-N 319.792 2.320 0 40 DEAB CCOC(=O)[C@@H](NC(=O)c1cn[nH]c1)c1cccc(C)c1C 184082944 YOFZJQAKUFTYCE-AWEZNQCLSA-N 301.346 2.061 0 40 DEAB CCCn1ccc(C(=O)NCCCn2ncc3ccccc32)n1 72239443 BDFRAFXSGGATOZ-UHFFFAOYSA-N 311.389 2.463 0 40 DEAB CCc1cc2c(cc1C(=O)CCN1CCOCC1)OCCCO2 33339934 ALSPHYYPJLXMIZ-UHFFFAOYSA-N 319.401 2.315 0 40 DEAB CN(C[C@H]1CCCN1C)C(=O)c1ccc(-c2cc[nH]n2)s1 566614318 RGKLACFPBVSOMX-LLVKDONJSA-N 304.419 2.304 0 40 DEAB Cc1nnc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cn12 49408614 GUWKHASZUBDGAX-UHFFFAOYSA-N 322.777 2.492 0 40 DEAB CN1CCN(c2ccc(N)cc2NC(=O)c2cccs2)CC1 226260858 MTWNMSOWNNNMBL-UHFFFAOYSA-N 316.430 2.334 0 40 DEAB O=C1[C@H]2CN(c3ccccn3)C[C@H]2CN1Cc1cccc(F)c1 96245304 XSPDJUCMHRLMGN-HOCLYGCPSA-N 311.360 2.316 0 40 DEAB CCn1ncc2c1[C@@H](COC)CN(C(=O)c1cccs1)C2 96060162 XFDUOGUTCJNEEB-GFCCVEGCSA-N 305.403 2.351 0 40 DEAB CCO[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(C)n3)C2)C1 96107218 BUDXTXVCRLNTPL-PBHICJAKSA-N 304.390 2.190 0 40 DEAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccco1)CC2 96201555 MEVIYMRJHYFDKR-AWEZNQCLSA-N 318.417 2.272 0 40 DEAB c1cnc(NCC[C@@]23CCO[C@@H]2CCN(C2CCC2)C3)nc1 96207598 GKIOYPNBKKMAEA-WBVHZDCISA-N 302.422 2.312 0 40 DEAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2nncs2)C1 96193054 VVCKBNHIXZKZEJ-CQSZACIVSA-N 318.358 2.069 0 40 DEAB Cc1ccc(C)c(NC(=O)CS[C@@H]2NN[C@H]3C=CC=CN32)c1 96305913 GJARQDXHDWSJGW-GDBMZVCRSA-N 316.430 2.078 0 40 DEAB CN(C)C1CCN(C(C)(C)CN[C@H]2CCN3CCC[C@@H]3C2)CC1 96484340 VLFKBJYQSRUVMU-FUHWJXTLSA-N 322.541 2.007 0 40 DEAB C[C@H]1CS(=O)(=O)CCN1C(=O)NCC[C@@H](C)c1ccccc1 96417693 VUMKYWDDDYFURK-KGLIPLIRSA-N 324.446 2.009 0 40 DEAB C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](C)CN1CCOC1=O 97212923 BWNOGMGIYFPJRX-ZKQHCESOSA-N 306.337 2.186 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1cccs1)C2 96039060 JSYHVOMKDKNAHI-ZBFHGGJFSA-N 309.431 2.335 0 40 DEAB CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2cnn(C)c21 96060079 JIHLPRZCGOZXHZ-CYBMUJFWSA-N 305.403 2.258 0 40 DEAB CN(C)C(=O)[C@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1 96061135 CGOJBMXTSOEDIP-MRXNPFEDSA-N 320.408 2.428 0 40 DEAB COC(=O)CCN1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 245339369 SGSPCSRJUOESEF-STQMWFEESA-N 317.307 2.376 0 40 DEAB O=C(c1ccccc1)N1CC2(C1)OCC[C@H]2COc1cccnc1 247960061 WXWARLPFJAMJBE-INIZCTEOSA-N 324.380 2.392 0 40 DEAB C[C@@H](O)CN1CCN(Sc2nc3ccccc3s2)CC1 255189830 SKDNXVOLQGWCHX-LLVKDONJSA-N 309.460 2.302 0 40 DEAB Cc1cc(C)n2nc(C(=O)N3CC[C@@H](c4[nH]ncc4C)C3)cc2n1 257300522 RUPFZZQAQJVPOY-CYBMUJFWSA-N 324.388 2.007 0 40 DEAB Cc1cc(NC(=O)c2cccnc2O[C@@H]2CCOC2)sn1 253400920 MEMSVGVWJDAYDZ-SNVBAGLBSA-N 305.359 2.267 0 40 DEAB c1ccc(CN2CCC3(CC2)C[C@@H](Cc2cnccn2)CO3)nc1 257209013 BOPUMAFQTUGDBM-MRXNPFEDSA-N 324.428 2.485 0 40 DEAB O=S(=O)(NCc1cccc(Oc2ccccn2)c1)C1CC1 96104547 MPGSPKMQLHGXPE-UHFFFAOYSA-N 304.371 2.456 0 40 DEAB CCC1CCC(NC(=O)C(=O)NCc2ccccc2OC)CC1 298078887 BXBBXSATPAKDKY-UHFFFAOYSA-N 318.417 2.396 0 40 DEAB Cc1ccc(SC[C@@H](C)NC(=O)N[C@@H]2CCCNC2=O)cc1 390833697 LQAAEQVNQXYXIX-TZMCWYRMSA-N 321.446 2.053 0 40 DEAB CCc1cc(N2CCC(Nc3cc(CO)ccn3)CC2)ncn1 641436960 IXWYDAYGDSHKGA-UHFFFAOYSA-N 313.405 2.007 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575405435 HXYLSZBVVLQIJB-VNQPRFMTSA-N 311.385 2.329 0 40 DEAB C[C@H]1CCCN(CCCNS(=O)(=O)Cc2ccccc2)C1 45744702 JERQWIBPWJLOHU-HNNXBMFYSA-N 310.463 2.228 0 40 DEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1nnc(-c2cccs2)o1 102342615 SLJHBTOQBOKCJR-UWVGGRQHSA-N 315.354 2.249 0 40 DEAB CN(C)c1ccc(NC2=CC(=O)N(Cc3ccco3)C2=O)cc1 11613116 CGQMZNNNWZTVEY-UHFFFAOYSA-N 311.341 2.210 0 40 DEAB OC1(Cn2ccc3ncccc32)CCN(Cc2ccccn2)CC1 19401548 BBNLBSVQJQUONZ-UHFFFAOYSA-N 322.412 2.458 0 40 DEAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1cnc(N2CCCCC2)nc1 19575196 VGTHMCIEADFXIZ-NVXWUHKLSA-N 315.465 2.135 0 40 DEAB Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 11115914 IHHGURGERHLCON-UHFFFAOYSA-N 311.385 2.157 0 40 DEAB O=C(NCC1(O)CSCCSC1)c1cccc(Cl)c1 1888860397 SMHYTPCMMLOZBY-UHFFFAOYSA-N 317.863 2.281 0 40 DEAB CCc1ccc(C(=O)N2CCn3c(COC)cnc3[C@@H]2C)cn1 1565554862 HOOPZGMSYLJIFZ-LBPRGKRZSA-N 314.389 2.204 0 40 DEAB Cc1nc2scc(C)n2c(=O)c1NC(=O)c1ccccn1 8931908 QMMPKIIJZPXKGI-UHFFFAOYSA-N 300.343 2.020 0 40 DEAB Cn1nc(-c2ccccn2)cc1CNC(=O)/C=C/c1ccco1 1775966425 CUAJYNMCOFFFBZ-BQYQJAHWSA-N 308.341 2.405 0 40 DEAB O=C(c1ccccc1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19368919 YUOBPQIJEFGNMO-HNNXBMFYSA-N 322.412 2.142 0 40 DEAB O=S(=O)(NC[C@H](O)c1cccs1)c1cc(F)ccc1F 75156074 ZGIMAMDIFYBVGL-JTQLQIEISA-N 319.354 2.038 0 40 DEAB O=C(COc1ccccc1F)NC[C@@]1(O)CCc2ccccc21 75155659 OGMMXKRDPFQXHO-SFHVURJKSA-N 315.344 2.155 0 40 DEAB Cc1c(-c2ccccc2)nc(S[C@H]2CCN(C)C2=O)[nH]c1=O 97094764 SQAIMKRTRAFLSS-LBPRGKRZSA-N 315.398 2.068 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H]1COc2ccccc21 58728167 NXJDJPABBXBCFJ-INIZCTEOSA-N 320.348 2.363 0 40 DEAB COc1ccc2c(c1OC)C(=O)N(c1ccc3cn[nH]c3c1)C2=O 107260 IMVCXDQZUNTOKK-UHFFFAOYSA-N 323.308 2.381 0 40 DEAB Cn1c2ccc(F)cc2c2ncn(C[C@@H]3CCCO3)c(=O)c21 2445342 DBAIGGCECCWZSG-NSHDSACASA-N 301.321 2.206 0 40 DEAB CC[C@@H](C)[C@H](N)c1nnc(SCC(=O)N(CC)CC)o1 532818 OXBKCYUEMHCNHG-KOLCDFICSA-N 300.428 2.076 0 40 DEAB CN(CCOc1ccccc1Cl)C(=O)c1ccc[nH]c1=O 45581843 UHZNDYYKFZOYTL-UHFFFAOYSA-N 306.749 2.179 0 40 DEAB Cc1cccc2nc(CNC(=O)COCc3ccccc3)cn12 68571069 VXKKHSKKZYRPOO-UHFFFAOYSA-N 309.369 2.476 0 40 DEAB CCN(Cc1ccccc1)C(=O)c1nc2nc(C)cc(C)n2n1 40458975 RWDGHUZPBDMZOF-UHFFFAOYSA-N 309.373 2.403 0 40 DEAB COc1ccc(C2=NO[C@H](C(=O)NCc3ccco3)C2)cc1 1067620 XHWAHMAHZUZKSZ-HNNXBMFYSA-N 300.314 2.098 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1 4968788 JQEWYWOKRNPXLZ-UHFFFAOYSA-N 314.794 2.466 0 40 DEAB Cc1cccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)c1 6679935 IGFRGDHKOIWFJE-UHFFFAOYSA-N 310.400 2.265 0 40 DEAB COc1ccccc1CNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6698534 AOGQGFFRBGBKEL-BVIHXZOGSA-N 303.358 2.058 0 40 DEAB COc1ncccc1CNC(=O)N1CCc2ccc(O)cc2C1 45965927 GKWFZIOPNJHBNG-UHFFFAOYSA-N 313.357 2.064 0 40 DEAB Cc1ccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)c(C)c1 8344077 LXTZMHIKVSDTJT-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB CN(Cc1ccn(-c2ccccc2)n1)c1ncnc2c1cnn2C 52473706 LDAYDCQEKZJYMF-UHFFFAOYSA-N 319.372 2.185 0 40 DEAB CC(C)Oc1ccc(N2C[C@@H](C(=O)NC3CC3)CC2=O)cc1 9236654 TYOXFNFPWDZCRY-LBPRGKRZSA-N 302.374 2.105 0 40 DEAB CC[C@H](CNC(=O)[C@@H]1CCCO1)N1CCc2ccccc2C1 32817239 YXJQMONNZFKGNR-SJORKVTESA-N 302.418 2.119 0 40 DEAB Cc1cccc(CS(=O)(=O)[C@@H](C)C(=O)NC2CCCC2)c1 32929693 HHNFTEBZTAVQHO-ZDUSSCGKSA-N 309.431 2.357 0 40 DEAB Cc1ccccc1CN(C)C(=O)[C@H](C)NC(=O)c1ccco1 21923504 FUIUJCFDXRDHNB-ZDUSSCGKSA-N 300.358 2.365 0 40 DEAB COc1cccc(CSc2nnc(-c3ccncc3)n2N)c1 529990 MFUIQPHZEWQQFZ-UHFFFAOYSA-N 313.386 2.355 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(OC(F)F)c1 103155217 YGPJYSBLOZEZIL-FPQZTECRSA-N 323.295 2.263 0 40 DEAB O=S(=O)(NC[C@@H]1CCCN1)c1c(Cl)cccc1Cl 53254771 JKTGHDJCPWCIGE-QMMMGPOBSA-N 309.218 2.024 0 40 DEAB C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccccc1 22688691 LKVOPEWEWJLDPX-BBRMVZONSA-N 311.385 2.143 0 40 DEAB Cc1cnc(C(=O)N[C@H]2CCN([C@@H](C)c3ccccc3)C2)cn1 54226302 DEKKXAGVKYBSNL-HOCLYGCPSA-N 310.401 2.350 0 40 DEAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc2[nH]nnc2c1 24738360 WNURMZJUQDZBKC-UHFFFAOYSA-N 306.285 2.260 0 40 DEAB O=C(CN1CCc2ccccc2C1)Nc1ccc2c(c1)OCCO2 3232685 NGBUMGSJTQZVEL-UHFFFAOYSA-N 324.380 2.455 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 28776100 JULLWZFJHNESFX-UHFFFAOYSA-N 322.361 2.263 0 40 DEAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)N1CCOCC1 44089715 CESILSSPWIPXRO-ZDUSSCGKSA-N 302.374 2.284 0 40 DEAB CNc1nnc(SCc2csc(NC(C)=O)n2)s1 26681841 IZVHXAPNBVCAGN-UHFFFAOYSA-N 301.422 2.287 0 40 DEAB CCOCCCNC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 44302434 LFGVFRUXKDDXEY-ZDUSSCGKSA-N 324.446 2.143 0 40 DEAB CN(C)C(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 26937009 ZQAWIGFCGFMIOT-UHFFFAOYSA-N 317.433 2.424 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)no1 44633490 RTLPQMIPQPVKGJ-XJKSGUPXSA-N 314.341 2.487 0 40 DEAB O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc[nH]c1=O 58203471 SWHHJXAESALJJE-GOEBONIOSA-N 312.369 2.273 0 40 DEAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCc2nccs2)cc1 58280301 NNAVEDKTDCLTCD-UHFFFAOYSA-N 315.354 2.288 0 40 DEAB CC1(C)COCCN1C(=O)c1ccc(OCC(F)(F)F)nc1 58278118 YPYUOSHWGZXLSL-UHFFFAOYSA-N 318.295 2.274 0 40 DEAB Cn1cnc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)c1 58370364 YACPODSRUPKBMM-UHFFFAOYSA-N 321.280 2.120 0 40 DEAB CC(=O)N1CCCN(C(=O)c2cc(C(C)C)ccc2O)CC1 58342722 AAGRLLXCXAJZFQ-UHFFFAOYSA-N 304.390 2.210 0 40 DEAB CCC[C@@H](C)NC(=O)CN1CCN(c2ccccc2F)CC1 48614351 RFRGVBVDHCICNI-CQSZACIVSA-N 307.413 2.253 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCOCC2)c(C)c1 69202089 GMMQPWLTDZVEPE-CYBMUJFWSA-N 319.405 2.387 0 40 DEAB NC(=O)Nc1cccc(C(=O)NCCc2ccccc2F)c1 8352447 GNUMHGLBKLVPBS-UHFFFAOYSA-N 301.321 2.289 0 40 DEAB C[C@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CC(C)(C)O1 65464340 MEEVYKIEWLBPNJ-NSHDSACASA-N 301.346 2.376 0 40 DEAB COc1cc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)ccc1C 65626567 FVRKHZWDRZRDTL-MRXNPFEDSA-N 320.433 2.186 0 40 DEAB Cc1nc([C@H](NC(=O)c2cc(C(C)C)[nH]n2)c2ccccc2)n[nH]1 69581000 OIGFWEYSCSXYRR-OAHLLOKOSA-N 324.388 2.479 0 40 DEAB CCCCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624474 YGGRWZLMHXLQIZ-UHFFFAOYSA-N 321.373 2.431 0 40 DEAB biogenic Cc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1ccc(F)cc1 6774432 JAQUMDFCLBSRKQ-CQSZACIVSA-N 303.337 2.229 0 40 DEAB O=S(=O)(Nc1cnccc1-n1cccn1)c1ccc(F)cc1 69600713 MJJSISDSYMZOPS-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)c1ccccc1C 6915175 AEWYIKKBGWTTPE-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CC[C@@H]1CCCCN1C(=O)Cn1cnc2sccc2c1=O 7495014 PYFIJPQWLYQRAG-LLVKDONJSA-N 305.403 2.249 0 40 DEAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1 7699614 GEAYJXKPMOJJQH-SNVBAGLBSA-N 301.371 2.300 0 40 DEAB CCOC(=O)C1=C(CSc2ccccn2)NC(=O)N[C@@H]1CC 7699730 FNAGTZQJDDNQSO-SNVBAGLBSA-N 321.402 2.082 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)c1cnc(C)cn1 7778671 LHICRQPAWLLLNL-UHFFFAOYSA-N 300.318 2.004 0 40 DEAB CN1CCN(c2cccc(Cl)c2CNc2cnn(C)c2)CC1 92387601 YMQHDZHICVWLNG-UHFFFAOYSA-N 319.840 2.437 0 40 DEAB Cc1cccc(-n2nnc(CN)c2-c2ccc3c(c2)OCO3)c1 62244002 STTWCJILAWBAFI-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB CN(C)C(=O)CNc1cccc(C[S@](=O)c2ccccc2)c1 71913946 AXBJZBUQDXBEDD-JOCHJYFZSA-N 316.426 2.495 0 40 DEAB O=C(NCCc1cccs1)NCC[S@@](=O)c1ccccc1 89847809 UYKHUZYDUJDEPD-NRFANRHFSA-N 322.455 2.398 0 40 DEAB Cc1ccc(SCCNC(=O)CN2CCSC2=O)cc1 9503698 UGLYVKRNUCUKJD-UHFFFAOYSA-N 310.444 2.372 0 40 DEAB Cc1ccccc1[C@H](C)NC(=O)CNC(=O)OCC(F)(F)F 71894603 DROGHEJNVMJUKA-JTQLQIEISA-N 318.295 2.461 0 40 DEAB Cc1ccccc1-c1noc(CN2CCc3cncnc3C2)n1 71859663 NLIBMJXISVPHKL-UHFFFAOYSA-N 307.357 2.393 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)nc2C)C1 71825561 UGYISYLSCDFBKO-OAHLLOKOSA-N 314.389 2.217 0 40 DEAB Cc1ccc(NC(=O)N2CC[C@@H](CN3CCOCC3)C2)cc1 75498094 KKSINAVRVCMQKW-HNNXBMFYSA-N 303.406 2.181 0 40 DEAB O=C1[C@@H](Sc2ncnc3nc[nH]c23)CCN1c1ccccc1 72287750 LUFWXIFHFFLWIU-NSHDSACASA-N 311.370 2.251 0 40 DEAB Cc1ccccc1OCCC(=O)N1CCC[C@@H](n2cncn2)C1 72234702 RXTZPGHEZRZYJA-OAHLLOKOSA-N 314.389 2.219 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)NCc2cc(C(C)C)no2)o1 76088130 MKIYPZVFWGSEMB-INIZCTEOSA-N 321.377 2.406 0 40 DEAB CCN1CCc2c(cccc2NC(=O)c2cc(OC)no2)C1 97108254 TZNGINVJZORNNO-UHFFFAOYSA-N 301.346 2.314 0 40 DEAB CCc1ccc([C@H]2COCCN2C(=O)Nc2cnn(C)c2)o1 97114779 RTEYQVFNARJDFF-CYBMUJFWSA-N 304.350 2.181 0 40 DEAB CN1C[C@@H](C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)CC1=O 77651562 CSFKQMCFYLVWRC-YJBOKZPZSA-N 323.396 2.108 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccccc1F 95458943 JCDQLGYXAARKPA-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB CC[C@@H](C(=O)Nc1ccc2cn(CC)nc2c1)N1CCCC1=O 73125122 DVELOZJCMLSWJX-HNNXBMFYSA-N 314.389 2.396 0 40 DEAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1nc2c(s1)CCCC2 78912660 IKEVQKIZQGUMIT-SECBINFHSA-N 303.387 2.201 0 40 DEAB COC(CNC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)OC 85345124 RAXWBJHYKMUXNJ-UHFFFAOYSA-N 309.753 2.079 0 40 DEAB Cc1ccccc1[C@H](NCCN1C(=O)CNC1=O)C(C)(C)C 95985503 DVLUVVWVNSFZKT-HNNXBMFYSA-N 303.406 2.224 0 40 DEAB C[C@@H]1CC[C@@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1 95979827 HUYLZQRRHONJAB-ABAIWWIYSA-N 303.337 2.195 0 40 DEAB CCC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)O 95991862 HNWHPLNRDSNXII-GFCCVEGCSA-N 305.309 2.199 0 40 DEAB Cc1cccc([C@H](NCCN2C(=O)CNC2=O)C(C)(C)C)c1 95985699 FCJAADHFFZVTDT-HNNXBMFYSA-N 303.406 2.224 0 40 DEAB C[C@@H](NCCOc1cccnc1)c1ccc(S(C)(=O)=O)cc1 95968030 UEAFGCDQNXVLAI-CYBMUJFWSA-N 320.414 2.215 0 40 DEAB O=C1CC[C@@H](NCc2ccncc2)[C@H](c2cc(F)cc(F)c2)N1 36740091 BFSUBRLZRPXITQ-WBVHZDCISA-N 317.339 2.469 0 40 DEAB O=C(C1CC1)N1CCN(Cc2nc(-c3ccco3)cs2)CC1 38890830 ZUCIGCTXRCWVDL-UHFFFAOYSA-N 317.414 2.457 0 40 DEAB O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(-c3ccco3)cnc1CO2 306126847 FGWQEFUHOAMFIX-QGZVFWFLSA-N 313.357 2.054 0 40 DEAB CCC1(CNC(=O)N2CC[C@@H](N3CCOCC3)C2)CCCC1 127930731 UVPINVIYBYMSMM-OAHLLOKOSA-N 309.454 2.073 0 40 DEAB COc1cccc(C)c1NC(=O)N1CC[C@@H](c2n[nH]c(C)n2)C1 521985045 HZBYXUMVJBKZMU-GFCCVEGCSA-N 315.377 2.452 0 40 DEAB Cc1cccc(=O)n1CCCCNC(=O)N(C)CC1CCC1 78925680 LHPVSIFIPNKZRG-UHFFFAOYSA-N 305.422 2.378 0 40 DEAB CC[C@H](NC(=O)NCC(=O)NC(C)C)c1cc(F)ccc1F 77524915 QAUKCGSZPKKRSZ-ZDUSSCGKSA-N 313.348 2.240 0 40 DEAB O=S(=O)(Nc1cccc(F)c1)c1cnn(-c2ccccn2)c1 72238966 NLYTUURHQOIAGU-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB O=C1NCCN1C(=O)NC[C@@H](c1ccsc1)c1ccco1 675008007 LWQKBONWPHEARN-NSHDSACASA-N 305.359 2.208 0 40 DEAB COC(=O)C1(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 133825367 FAERQWSSVPDMJH-JTQLQIEISA-N 316.279 2.295 0 40 DEAB C[C@H](C(=O)NCc1ccn(C)n1)n1cc(-c2ccccc2)cn1 227165862 JLCITVVVZWEHNT-CYBMUJFWSA-N 309.373 2.161 0 40 DEAB C[C@@H]1C[C@H](C(=O)O)CN(C(=O)Cc2ccc3c(c2)CCCO3)C1 567878601 BUVRZEOLFUOSEH-DOMZBBRYSA-N 317.385 2.123 0 40 DEAB CN1CCN([C@@H](Cc2ccc(Cl)cc2Cl)C(=O)O)CC1 225145960 HKEUXQCJEPUBTD-ZDUSSCGKSA-N 317.216 2.237 0 40 DEAB COc1ccccc1OCCNS(=O)(=O)c1ccc(C)cc1 46543644 DSJKWNKDHUVWHK-UHFFFAOYSA-N 321.398 2.361 0 40 DEAB C[C@@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 194865965 XVKJJAWJYOWPII-PBHICJAKSA-N 322.474 2.251 0 40 DEAB CC1=C(C(=O)NCc2nnc(C3CC3)n2C2CC2)CCCO1 195566197 FNHFWYRSTAKZGR-UHFFFAOYSA-N 302.378 2.191 0 40 DEAB COCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cn1 225882992 KXPQTUGUCTZKDA-INIZCTEOSA-N 310.394 2.497 0 40 DEAB COC[C@@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225809804 ZWIKOAXCPYVNAX-SNVBAGLBSA-N 323.780 2.474 0 40 DEAB CN(C)c1nccc(NC(=O)[C@@H]2CSc3ccccc32)n1 96425297 AEGWEFMADXSAAX-LLVKDONJSA-N 300.387 2.371 0 40 DEAB CCOc1ncccc1NC(=O)Cn1cc(-c2ccccc2)nn1 95416601 HNXFVOXPANUDPB-UHFFFAOYSA-N 323.356 2.378 0 40 DEAB Cc1ccccc1[C@@H](O)CNS(=O)(=O)CCc1ccccc1 96428173 QZTRYSQRIQMLMM-KRWDZBQOSA-N 319.426 2.191 0 40 DEAB CC(C)C(=O)N[C@H]1COC2(CCN(Cc3nccs3)CC2)C1 96220612 CFJXFVMFKQVCBE-CYBMUJFWSA-N 323.462 2.039 0 40 DEAB C[C@H](CNC(=O)N1CCCC[C@H]1c1cn[nH]c1)Cn1cccn1 97234589 BXTIMIFJHXLCLM-HIFRSBDPSA-N 316.409 2.179 0 40 DEAB COc1cccc(N2CCC[C@H](NC(=O)c3cccnc3)C2)c1 96409262 FKSCMRAQFOSKCV-HNNXBMFYSA-N 311.385 2.489 0 40 DEAB O=S(=O)(NCc1ccncc1)c1ccc2c(c1)CCCC2 96316501 RYUVVYCGLIWMDU-UHFFFAOYSA-N 302.399 2.439 0 40 DEAB Cc1cc(CN2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)no1 96107837 KZAVCEUDFIWKRS-WBVHZDCISA-N 315.373 2.190 0 40 DEAB O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@H]1[C@H]1CCNC1 333783188 DYUPTYPURDGNIQ-BBRMVZONSA-N 312.417 2.096 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(C(C)C)no2)n1 257258960 KWFOLVNCEOIOQH-GFCCVEGCSA-N 304.350 2.043 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257229827 FZPRSKSJXGGRDC-ZDUSSCGKSA-N 317.364 2.409 0 40 DEAB C[C@H](CCO)NC(=O)c1coc(SCc2ccccc2)n1 585140469 FINJDIZHMZUJSJ-LLVKDONJSA-N 306.387 2.468 0 40 DEAB Cc1ccc2oc(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)cc2c1 585269132 MNUPZJXFASZSKO-XJKCOSOUSA-N 303.358 2.088 0 40 DEAB CN(C)C(=O)c1cn(CC(=O)C(C)(C)C)c(=O)c2ccccc12 585141731 ZLVGZEPOQLEBMP-UHFFFAOYSA-N 314.385 2.319 0 40 DEAB O=C(c1ncccc1O)N1CCO[C@@H](c2ccc(F)cc2)C1 69437672 SKRLKAHKXMJGOY-CQSZACIVSA-N 302.305 2.140 0 40 DEAB CN1C(=O)c2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2C1=O 36638456 UBLHKJJVGDYDFS-UHFFFAOYSA-N 320.308 2.041 0 40 DEAB O=C(CCc1cc(F)ccc1F)NCc1nncn1C1CC1 75134020 AZMQGGOGANFWKC-UHFFFAOYSA-N 306.316 2.140 0 40 DEAB CCc1ccc(S(=O)(=O)NCC(C)(C)C[C@H](C)O)s1 96492632 SFHCWFQWBROGHQ-JTQLQIEISA-N 305.465 2.386 0 40 DEAB COC(=O)[C@H](C)Sc1nc2ccccc2n1[C@H](C)C(=O)OC 5387144 RLBOBWWYCNIGEY-ZJUUUORDSA-N 322.386 2.424 0 40 DEAB CCCc1c(C)[nH]c2[nH]n(-c3ccc(OC)cc3)c(=O)c2c1=O 17052395 NIUVQJXNHAYUJO-UHFFFAOYSA-N 313.357 2.277 0 40 DEAB Cc1ccc(-c2n[nH]c(CNC(=O)c3cccnc3C)n2)cc1 19212998 MBXJJEHTGBYIAJ-UHFFFAOYSA-N 307.357 2.414 0 40 DEAB Cc1ccccc1NC(=O)NCC1(O)CSCCSC1 1888870043 BXOIHNSCYOCVCT-UHFFFAOYSA-N 312.460 2.328 0 40 DEAB Cc1cc(OCC2CCN(CCn3cccn3)CC2)ccn1 1775995578 ABIUDXYQNIBGBH-UHFFFAOYSA-N 300.406 2.378 0 40 DEAB O=C(C1CC1)N1CCC(Cn2cnc3ccccc3c2=O)CC1 1776007757 CVAOJZAEPTVDPI-UHFFFAOYSA-N 311.385 2.045 0 40 DEAB COc1cccc2s/c(=N/C(=O)c3cc(C)on3)n(C)c12 101025771 WRXWBWCKJFTJRC-CCEZHUSRSA-N 303.343 2.286 0 40 DEAB Cn1ncc(NC[C@H](O)c2ccc(Cl)cc2)c(Cl)c1=O 30860329 CCWVKDPSKOVCFS-NSHDSACASA-N 314.172 2.233 0 40 DEAB CCCCN1C(=O)C[C@@H](C(=O)NC)[C@H]1c1ccc(OC)cc1 40489333 FOFWXPXGGAFRRO-GDBMZVCRSA-N 304.390 2.131 0 40 DEAB CCOc1ccc(-c2noc(CN3CCO[C@@H](C)C3)n2)cc1 40497535 QBOJQHYXALGQJE-LBPRGKRZSA-N 303.362 2.356 0 40 DEAB Cc1cc(O)c2c(C)c(CC(=O)NCC(C)C)c(=O)oc2c1 8491010 UYLFWAIJUNCMSI-UHFFFAOYSA-N 303.358 2.430 0 40 DEAB biogenic O=C(Cc1ccc2c(c1)CCCC2)NCCNc1cnccn1 31368376 ZFTGLJVNTILHML-UHFFFAOYSA-N 310.401 2.126 0 40 DEAB O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1 2475312 BMWGHJJJCAITRO-UHFFFAOYSA-N 300.343 2.453 0 40 DEAB COc1cccc(C(=O)N2N=C(C(F)F)C[C@]2(O)C(F)F)c1 204554 LUPKSSAXWBGACL-ZDUSSCGKSA-N 320.242 2.116 0 40 DEAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 6727295 YKYWHJVZWKTUDA-JLUCKKNBSA-N 311.337 2.175 0 40 DEAB CC[C@@H](C)NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 8195884 HZVDQWDPKFPKPC-OLZOCXBDSA-N 312.435 2.064 0 40 DEAB CCc1ccc(O)c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 60321970 NLVIRYIUBFHSIW-UHFFFAOYSA-N 300.358 2.190 0 40 DEAB Cn1cc(-c2nnnn2-c2ccccc2)c(=O)c2ccccc21 340623 YUZJFTHFOPYYSB-UHFFFAOYSA-N 303.325 2.181 0 40 DEAB COCc1cc(C(=O)N2Cc3ccccc3N(C)C[C@H]2C)no1 81612208 ASXXEEAWEIFDFD-GFCCVEGCSA-N 315.373 2.302 0 40 DEAB C/C=C/c1ccc(OC[C@@H](O)CN[C@@H](C)COC)c(OC)c1 9363894 VQZCIAAAAFEKKS-RFMXEPQUSA-N 309.406 2.093 0 40 DEAB CN(C)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2)o1 32827133 RNOSSIBHJCUCAY-UHFFFAOYSA-N 301.364 2.019 0 40 DEAB CCCn1nc(C(=O)Nc2cccc3cccnc23)ccc1=O 32983127 VEGHQYLZDUHQFZ-UHFFFAOYSA-N 308.341 2.454 0 40 DEAB O=C(O)[C@@H]1CS[C@H](Cc2c(Cl)cccc2Cl)C(=O)N1 62712185 JAISNYFYCYURET-VHSXEESVSA-N 320.197 2.221 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ncccc3O)ccc21 22264141 HGHKNZZDQPGLDK-UHFFFAOYSA-N 324.340 2.078 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2cccc(C(N)=O)c2)n1 70012602 YBUZEZKWYNIDBY-KRWDZBQOSA-N 312.417 2.263 0 40 DEAB CCCCS(=O)(=O)NCC(=O)Nc1c(C)cc(C)cc1C 53644742 FXUBXZINVONUPM-UHFFFAOYSA-N 312.435 2.270 0 40 DEAB Cc1cc(=O)c(C(=O)NCC2CC2)nn1-c1ccccc1Cl 22971881 MSWQCXIHDYODAG-UHFFFAOYSA-N 317.776 2.334 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3cccs3)CC2)c1 24637797 YGUKHMODNCGZIO-UHFFFAOYSA-N 317.414 2.237 0 40 DEAB O=C(NCc1ccccc1CN1CCCCC1)C1=COCCO1 24650615 ZKDZXDJROGIYBA-UHFFFAOYSA-N 316.401 2.177 0 40 DEAB C[C@H](CCc1ccco1)Nc1cc(N2CCC[C@H]2CO)ncn1 106905802 CEDZSLHVNQLXFZ-KGLIPLIRSA-N 316.405 2.464 0 40 DEAB O=C(Nc1nc[nH]n1)c1ccc2nc(-n3cccc3)sc2c1 8990511 LTMJZDPVKLCZMV-UHFFFAOYSA-N 310.342 2.457 0 40 DEAB O=C1NC2(CCCCC2)C(=O)N1CCOc1cccc(F)c1 65537237 DYPCOMZGSXPGRW-UHFFFAOYSA-N 306.337 2.459 0 40 DEAB NC(=O)NCc1ccc(C(=O)OCCOc2ccccc2)cc1 25679348 YWHUEZQALHSXLV-UHFFFAOYSA-N 314.341 2.091 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@H](c1cccs1)N(C)C 27677005 DSFWTEZGKDFQBK-ZDUSSCGKSA-N 307.419 2.315 0 40 DEAB C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)[C@@H]1CCCO1 44910403 XPJIITYFEKWMIS-JSGCOSHPSA-N 320.389 2.167 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)N1CCC[C@@H](C2OCCO2)C1 69374284 UAVWWZCTLSRKTB-INDWDQIESA-N 323.414 2.072 0 40 DEAB Cc1cccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)c1 2322475 BFZGZTBKJOZBCP-UHFFFAOYSA-N 317.433 2.359 0 40 DEAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C)noc1C 48262049 SWMKIAUKARTLQV-UHFFFAOYSA-N 322.386 2.442 0 40 DEAB O=C(CNC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 12974137 NREOBGDIZFZLAM-UHFFFAOYSA-N 321.380 2.257 0 40 DEAB COCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48885232 ZQXIXHMGQOVJIS-GASCZTMLSA-N 304.434 2.427 0 40 DEAB C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCc3ccco3)cc2C1 49551647 VEZPBMVBKYMVDI-NSHDSACASA-N 300.358 2.065 0 40 DEAB O=C(CCn1ccnn1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69537205 VRSJEASVHFIVFS-WCQYABFASA-N 324.306 2.359 0 40 DEAB O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCCCCC1 17321120 BRNIESCRUQXWHN-UHFFFAOYSA-N 314.385 2.352 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2CC(=O)Nc2ccncc2)c1 69706046 OJNZMUHNDTZYFL-MRXNPFEDSA-N 313.405 2.080 0 40 DEAB O=C(COCCc1ccccc1)N[C@H]1CCC[C@@H]1n1ccnc1 69848973 KUJPBAAEUZXUIJ-IRXDYDNUSA-N 313.401 2.352 0 40 DEAB O=C(c1ccccc1OC(F)F)N1N=CC[C@@]1(O)C(F)(F)F 6402674 HYVVUZNDBRWLJN-LLVKDONJSA-N 324.205 2.371 0 40 DEAB FC(F)(F)COc1ccc(Nc2ccc3nnnn3n2)cc1 8725986 CABSHFHUVILQFW-UHFFFAOYSA-N 310.239 2.204 0 40 DEAB COc1ccc([C@@H](C)NC(=O)Cn2nnc3ccccc32)cc1 28236715 JZVWHTHYMWRWAD-GFCCVEGCSA-N 310.357 2.317 0 40 DEAB O=C1CC2(CCCC2)C(=O)N1Cc1nccn1CC(F)(F)F 89884679 ZIUSRLYQCJILIV-UHFFFAOYSA-N 315.295 2.265 0 40 DEAB Cc1cc(C)n(-c2cncc(N[C@@H]3c4ccccc4C[C@@H]3O)n2)n1 80584330 NHDISUPMHWQESL-MAUKXSAKSA-N 321.384 2.349 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 7984783 HTPYHGDLEZRZNZ-UHFFFAOYSA-N 301.346 2.004 0 40 DEAB CCOc1ccc(NC(=O)CSc2nc3n(n2)CCC3)cc1 28527302 WDGDQYRYNGBQGO-UHFFFAOYSA-N 318.402 2.354 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1cc(F)c(Cl)nc1Cl)C(N)=O 71799823 WPPSEPAHIYTLQW-YLWLKBPMSA-N 322.167 2.157 0 40 DEAB Cc1cc(N)nc(S[C@@H]2CCN(c3ccccc3F)C2=O)n1 71899869 OBMGBOFGUVBZBX-GFCCVEGCSA-N 318.377 2.404 0 40 DEAB C[C@@H]1CN(C2CCN(c3ncnc4ccccc34)CC2)CCO1 71821719 OUINPDJAZKBBDB-CQSZACIVSA-N 312.417 2.319 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccnc2)c1 71869938 ODJGYTZHVCOXLM-BBWFWOEESA-N 310.401 2.381 0 40 DEAB CCN1C[C@H](CN(C)c2cc(C)nc(N)n2)Oc2ccccc21 71886824 JMGGOGORHANDPK-ZDUSSCGKSA-N 313.405 2.091 0 40 DEAB CCN1CCCN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 71911873 OTENXNPKOCNPFB-SJORKVTESA-N 317.477 2.322 0 40 DEAB C[S@](=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1F 76060167 ZBRJSYMAXWTTJQ-LJQANCHMSA-N 313.375 2.364 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1 72232296 NAPIFBPXCJPLGW-NSHDSACASA-N 303.366 2.244 0 40 DEAB C[C@@H](CCc1ccco1)Nc1cc(N2CCC[C@@H]2CO)ncn1 72276007 CEDZSLHVNQLXFZ-UONOGXRCSA-N 316.405 2.464 0 40 DEAB CCN(CC(=O)O)C(=O)c1ccc(-n2nc(C)cc2C)cc1 97018050 IBISYXCYSOGWKC-UHFFFAOYSA-N 301.346 2.036 0 40 DEAB CCc1ccc(/C=C/S(=O)(=O)N2CCC[C@@H]2C(=O)O)cc1 97022306 QBIMHUHCQNICEM-CFRMROPGSA-N 309.387 2.099 0 40 DEAB Cc1ccc(CNC(=O)c2cnn(C)c2N)c(OCC(C)C)c1 97114157 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0 40 DEAB O=C(Cn1ccc(=O)c2ccccc21)NCCc1ccccc1 225717654 YPICNVLNYJQAQQ-UHFFFAOYSA-N 306.365 2.360 0 40 DEAB CSCC[C@H](NC(=O)Cn1c(C)cc2ccccc21)C(=O)O 40310366 AXIYKIOGPIHRHW-ZDUSSCGKSA-N 320.414 2.272 0 40 DEAB biogenic CC(C)(C)c1nnnn1CC(=O)Nc1ccc(F)c(Cl)c1 47256407 XPFMLBUCPIOURO-UHFFFAOYSA-N 311.748 2.402 0 40 DEAB CSCC(=O)N1CCN(c2cncc3ccccc23)CC1 194292730 WMQFMHLEFHCSNJ-UHFFFAOYSA-N 301.415 2.246 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1c[nH]c3ccccc13)C2 97198602 JCZHHRKBTGXUMW-CQSZACIVSA-N 308.385 2.347 0 40 DEAB Cn1cc(C(=O)N2CCC(Oc3ccccc3)CC2)ccc1=O 95954743 WNNHKQSSLPCGMS-UHFFFAOYSA-N 312.369 2.069 0 40 DEAB CNC(=O)c1cccc(Cn2cc(NC(=O)C(C)(C)C)cn2)c1 96435636 RQDCGLIYKKKVGH-UHFFFAOYSA-N 314.389 2.276 0 40 DEAB CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCSCC1 96117103 SEGOHQRBWHYHFM-UHFFFAOYSA-N 317.414 2.175 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)n1 257276125 NSLILYXSBKMWLW-AWEZNQCLSA-N 321.327 2.139 0 40 DEAB CO[C@H]1C[C@@H]2CN(C(=O)c3cc(C)nc4onc(C)c34)C[C@@H]2C1 257235127 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CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(CC)s2)c1C 7348422 QPULCCOEXKQXSA-UHFFFAOYSA-N 322.390 2.474 0 40 DEAB CC(C)(C)c1cc(=O)c2c(=O)n(-c3ccc(F)cc3)[nH]c2[nH]1 8021056 PKEALGIUBAAAPP-UHFFFAOYSA-N 301.321 2.444 0 40 DEAB CN(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 32780825 PEZKVKCGDVUYAX-WMZOPIPTSA-N 310.397 2.409 0 40 DEAB CCc1c(C(=O)NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)csc1C 102307005 NVQFNALNABGMEF-VXGBXAGGSA-N 318.398 2.215 0 40 DEAB CC[C@H](C(=O)OCn1nnc2ccccc2c1=O)c1ccccc1 428859 CRBOGZGTLAMYEL-AWEZNQCLSA-N 323.352 2.486 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Oc2ccc3ccc(=O)oc3c2)no1 9690335 DYOCIRXDQBEFSE-JTQLQIEISA-N 314.297 2.495 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2ccn[nH]2)cc1 52798198 AVUITHNEZXHQCR-UHFFFAOYSA-N 318.358 2.482 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 52765839 FIZIBBJNRJVKRA-WFASDCNBSA-N 313.357 2.335 0 40 DEAB C[C@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(F)cc1F 15366372 SOIUMWKEAHIQAX-VIFPVBQESA-N 320.295 2.470 0 40 DEAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCc1ccccc1 59245198 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320.396 2.176 0 40 DEAB Cc1ccc(C)c(OCCCCC(=O)N[C@@H](C)C(=O)N(C)C)c1 58158370 CCPZTFLZAKTYPH-HNNXBMFYSA-N 320.433 2.445 0 40 DEAB Cc1cc(NC(=O)NCc2nnc3ccccn23)ccc1N(C)C 58125605 QRIQGLRWAWEXMO-UHFFFAOYSA-N 324.388 2.425 0 40 DEAB Cc1cc(Br)c(O)c(C(=O)NC2=NCCS2)c1 47827105 MNPOKLHMODPFEK-UHFFFAOYSA-N 315.192 2.296 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1ccccc1 44950209 OJVPLXOAZPEPGV-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2cccs2)cc1C(=O)O 3331397 KZBQCACVOYEPRO-UHFFFAOYSA-N 311.384 2.233 0 40 DEAB Cc1nc(CNc2ccc(N3CCN(C)CC3)cn2)cs1 48231124 CHJCEDYTHRURFT-UHFFFAOYSA-N 303.435 2.210 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1 67619977 RBMYRJPSZSIPCZ-OAHLLOKOSA-N 304.390 2.168 0 40 DEAB O=c1[nH]nc(SC[C@H]2CCCCO2)n1CCc1ccccc1 7345972 FTYZUNQJEVDVCK-CQSZACIVSA-N 319.430 2.475 0 40 DEAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 69489126 OBZYKCOEIKTQHP-VXGBXAGGSA-N 324.808 2.140 0 40 DEAB CCc1cc(=O)[nH]c(N2CCN(c3cccc(Cl)c3)CC2)n1 5183588 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301.346 2.315 0 40 DEAB C[C@H](CC1CC1)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 97086271 VDUZJAQNUVCOSA-IUODEOHRSA-N 316.405 2.065 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2ccc(F)c(F)c2)cc1O 97095633 ZQCQTMTUULOQOJ-UHFFFAOYSA-N 320.295 2.347 0 40 DEAB CN(C[C@H]1CCCCO1)C(=O)c1cc(F)c(F)c(O)c1F 97080083 BDCIWSBMYZGUTL-MRVPVSSYSA-N 303.280 2.451 0 40 DEAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 97046139 FYTUPANYFSELKW-CYBMUJFWSA-N 322.372 2.215 0 40 DEAB Cn1cc(CNC[C@H](O)c2ccccc2)c(-c2cccnc2)n1 97159745 SOZAVWARTZXURE-KRWDZBQOSA-N 308.385 2.305 0 40 DEAB OCCn1ncc2c(N3CCC[C@@H]3c3ccccc3)ncnc21 97199994 QSCOUGJJMPXZIB-OAHLLOKOSA-N 309.373 2.160 0 40 DEAB CN(C(=O)CN1CCn2ccnc2C1)[C@H]1CCCc2ccccc21 97201081 PVEDTQWNJHCDCH-KRWDZBQOSA-N 324.428 2.235 0 40 DEAB Cc1n[nH]c(C)c1CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97234289 KYIGUOHYOCISAQ-CQSZACIVSA-N 302.382 2.186 0 40 DEAB CCOC(=O)[C@@H](C)N(C)C(=O)Cc1c(C)nn(CC(C)C)c1C 79095012 YXTGSEYMRCUKKX-CQSZACIVSA-N 323.437 2.108 0 40 DEAB O=C(NC1CC1)c1ccccc1NC(=O)C1SCCS1 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Cc1noc(C)c1CC(=O)NCc1nc(-c2ccccc2)no1 44442909 ZNDNBJPFDRXUSK-UHFFFAOYSA-N 312.329 2.200 0 40 DEAB CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[C@H]1O 569227574 ZYYJCIAWURSEHO-MCIONIFRSA-N 313.438 2.220 0 40 DEAB CC(C)OCc1cccc(NC(=O)N[C@H]2C(=O)NCC[C@H]2C)c1 193976072 STIFRZRXMBEBFB-IUODEOHRSA-N 319.405 2.258 0 40 DEAB COc1cc(OC)cc(C2=NN[C@@H]3CC(C)(C)CC(=O)[C@H]23)c1 228925182 XZHHKRWPCGWWFE-UKRRQHHQSA-N 302.374 2.385 0 40 DEAB CN(C)S(=O)(=O)NCC(C)(C)c1ccc(C(F)(F)F)cc1 190982783 FWMSSOJPRUCMJT-UHFFFAOYSA-N 324.368 2.379 0 40 DEAB CC(C)c1ccccc1S(=O)(=O)NCC(=O)NC(C)(C)C 190466809 ZZMPFVPKGNDLEL-UHFFFAOYSA-N 312.435 2.003 0 40 DEAB COCCc1nnc(NC(=O)CSCc2ccccc2)o1 75154670 CQFWZNBWDSINHR-UHFFFAOYSA-N 307.375 2.130 0 40 DEAB COc1ccc2c(c1)OCCN(C(=O)Cc1cncs1)C2 328681784 CRUUSVZQRODEDL-UHFFFAOYSA-N 304.371 2.115 0 40 DEAB Cn1cc(S(=O)(=O)N2CCC(=Cc3ccccc3)CC2)cn1 96455466 GTNFOOHBZWWMNU-UHFFFAOYSA-N 317.414 2.288 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 96246216 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323.711 2.453 0 40 DEAB CCCOc1ccc(N2C(=O)C[C@@H](N3CCCC3)C2=O)cc1 18190258 PYEYHZYACHLNPQ-OAHLLOKOSA-N 302.374 2.203 0 40 DEAB O=C(CSc1ncnc2nc[nH]c12)Nc1ccc(F)cc1F 7344103 BMVKEPWGUHLMNO-UHFFFAOYSA-N 321.312 2.362 0 40 DEAB COC(=O)c1ccc(CCC(=O)N2CCC(OC)CC2)cc1 68076989 DTTJZROSQDGVAA-UHFFFAOYSA-N 305.374 2.043 0 40 DEAB COc1ccccc1CNC(=O)[C@H](NC(C)=O)C1CCCC1 9389763 GKMCPIIHYODPCE-MRXNPFEDSA-N 304.390 2.006 0 40 DEAB CC[C@H](c1ccc(F)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 71915628 WHWRQAVLLOSISM-LSDHHAIUSA-N 314.426 2.290 0 40 DEAB C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)CCS1 96422094 FYYIGZHDQSOFCE-ZETCQYMHSA-N 318.320 2.006 0 40 DEAB COc1cc2c(cc1CNCCNc1ncccn1)O[C@@H](C)C2 71825405 AGRHJXRFSVYTGR-LBPRGKRZSA-N 314.389 2.010 0 40 DEAB CC(C)OCCCNC(=O)C[S@@](=O)Cc1ccc(F)cc1 71859194 AJNJTWYFEJDHIK-OAQYLSRUSA-N 315.410 2.006 0 40 DEAB COCCCN1CCC(NC(=O)c2c(F)cccc2F)CC1 71867497 CYKHNOBTMRYPED-UHFFFAOYSA-N 312.360 2.196 0 40 DEAB COc1cccc(CN(C)C(=O)C[C@](C)(O)C(F)(F)F)c1 72235915 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C[C@@H]1CN(c2ccc(NC(=S)NC3CC3)cn2)C[C@@H](C)O1 84713832 FEWRAPALXBAQEY-GHMZBOCLSA-N 306.435 2.144 0 40 DEAB CC[C@H](NC(=O)N1CCNC(=O)CC1)C(C)(C)c1ccccc1 84718779 GHMVXBUIYZJEIL-HNNXBMFYSA-N 317.433 2.274 0 40 DEAB CN(C)CCn1ccc2ccc(NC(=O)c3csnn3)cc21 73102751 APRAXBACFZLSFY-UHFFFAOYSA-N 315.402 2.307 0 40 DEAB CCN1CCc2nc(NC(=O)CCc3ccccn3)sc2C1 78714448 SWPJDUNWBGBDKC-UHFFFAOYSA-N 316.430 2.487 0 40 DEAB Cc1cc([C@H]2CN(C(=O)c3cncc(O)c3)CCO2)ccc1F 95979838 AUKWYMOJZDRFOB-MRXNPFEDSA-N 316.332 2.448 0 40 DEAB Cc1c(C(=O)N[C@H](C(=O)O)C(C)(C)C)cnn1-c1ccccc1 95970102 WNKTXUUIGKWZMY-CQSZACIVSA-N 315.373 2.410 0 40 DEAB COC(C)(C)CNC(=O)NCc1ccn(-c2ccc(F)cc2)n1 95978180 UOASVPANRFBZES-UHFFFAOYSA-N 320.368 2.236 0 40 DEAB O=C(NCCOC(=O)c1cccc(F)c1Cl)c1ccncc1 78948101 PHQRHKCLBHSBMW-UHFFFAOYSA-N 322.723 2.461 0 40 DEAB CN(C)C[C@H](O)COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 79066709 RHJLKACHRFFORA-ZBFHGGJFSA-N 318.417 2.283 0 40 DEAB CCC(CC)NC(=O)[C@H]1CC(=O)C[C@H]1C(=O)NC(CC)CC 79067375 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2.429 0 40 DEAB CC(C)N1CCOC[C@@]2(CCCN(C(=O)c3ccco3)C2)C1 96228749 IUIWQSZPZSQJEW-KRWDZBQOSA-N 306.406 2.243 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)NC[C@H](O)C(C)C)no1 96420127 WBCFTNVUEVAOEY-ZDUSSCGKSA-N 304.350 2.183 0 40 DEAB O=C(NCCCNC(=O)C1(c2ccccc2)CC1)C1CCC1 96451684 CORDHVBXAXKXAP-UHFFFAOYSA-N 300.402 2.141 0 40 DEAB C[C@@H](C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C 95397598 KTJKYAISSLMVMD-STQMWFEESA-N 317.433 2.163 0 40 DEAB Cc1cccc2nc(CN(C)[C@@H]3CCC[C@@H]3S(C)(=O)=O)cn12 96460096 GYYGNCLXMYQWFC-CABCVRRESA-N 321.446 2.040 0 40 DEAB O=C(Cc1ccsc1)N1C[C@@H](n2cccn2)[C@H]2OCCC[C@H]21 96064549 SUJGFFFOPFGPMO-FMKPAKJESA-N 317.414 2.118 0 40 DEAB Cn1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)cn1 96199584 WZJIIUIIQJFROD-QGZVFWFLSA-N 324.428 2.058 0 40 DEAB C[C@H]1C[C@H](NC(=O)Nc2cccnc2)C(=O)N1c1ccccc1 96434089 RBMJZLGURNVCHW-WFASDCNBSA-N 310.357 2.397 0 40 DEAB C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1C(=O)c2ccccc2C1=O 244289870 WUZUCOWLDUAZKC-XUJVJEKNSA-N 314.385 2.366 0 40 DEAB 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GVABWWMRAFEFTE-VIFPVBQESA-N 322.386 2.365 0 40 DEAB biogenic,in-vitro CCCCC(=O)N1CC2(C[C@@H](Oc3cncc(C)n3)CCO2)C1 575402890 DSDRWOWEKHAJII-AWEZNQCLSA-N 319.405 2.114 0 40 DEAB COc1nc(C)c(NS(=O)(=O)c2ccc(F)cc2)c(C)n1 585435961 HYEIGONUGWJUJG-UHFFFAOYSA-N 311.338 2.042 0 40 DEAB COCCN1CCC(CNC(=O)c2ccc3cc[nH]c3c2)CC1 89414438 KPHHPVHVCFJIMK-UHFFFAOYSA-N 315.417 2.256 0 40 DEAB Cc1nnc(CN2CCN(c3nc4ccccc4s3)CC2)o1 96971829 CKPYUHMDXPRROQ-UHFFFAOYSA-N 315.402 2.310 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 5018514 HRRAYUPUFBTSDL-FZKCQIBNSA-N 323.348 2.314 0 40 DEAB Cc1ccc(C(=O)O)cc1N1C(=O)C[C@@H](Nc2ccccc2)C1=O 16901088 CGSKEIPUBNKJGB-CQSZACIVSA-N 324.336 2.437 0 40 DEAB Cc1ccccc1C[C@]1(CO)CN(Cc2cscn2)CCO1 643914610 RZGGKFCDMLXIPW-QGZVFWFLSA-N 318.442 2.258 0 40 DEAB COc1cc(NC(=O)C(C)(C)C)ccc1NS(C)(=O)=O 29970740 CWWLEVMSQOQUHW-UHFFFAOYSA-N 300.380 2.051 0 40 DEAB O=C1O[C@H]2C[C@H]1N(C(=O)C1c3ccccc3Oc3ccccc31)C2 101453138 PBMOAXFCCGPPLQ-SMDDNHRTSA-N 321.332 2.451 0 40 DEAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccoc1 10901448 JNPDFQCBLZDMHA-UHFFFAOYSA-N 300.358 2.388 0 40 DEAB CC(C)CN1CCN([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 40466229 QNXNYEHVYSMPNJ-AWEZNQCLSA-N 314.433 2.258 0 40 DEAB CCS(=O)(=O)C(CCCc1ccccc1)S(=O)(=O)CC 1679104 KLHRERFWXNEEAA-UHFFFAOYSA-N 318.460 2.205 0 40 DEAB CC[C@@](C)(NC(=O)c1ccccn1)C(=O)NC1CCCCC1 246501 FGNPDLCIMWPXNM-QGZVFWFLSA-N 303.406 2.429 0 40 DEAB COc1ccc(NC(=O)CSc2nc(C3CC3)n[nH]2)cc1 11469128 NYYUEKRBAKKDFL-UHFFFAOYSA-N 304.375 2.422 0 40 DEAB Cc1[nH]nc(C(F)(F)F)c1N1C(=O)[C@H]2CCCC[C@H]2C1=O 101593234 LACLRVRRQXTGGN-OCAPTIKFSA-N 301.268 2.417 0 40 DEAB Cc1sc2ncn(CCC(=O)NC[C@@H]3C[C@@H]3C)c(=O)c2c1C 32388302 UOIUBVVQXSLCIL-CABZTGNLSA-N 319.430 2.237 0 40 DEAB CC(C)(C)c1noc(CCC(=O)NCCc2ccccn2)n1 32657685 CEZAEFHWRUNJMP-UHFFFAOYSA-N 302.378 2.054 0 40 DEAB CSc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102303622 SJHBBAFQUSGOOG-DJIHRAIXSA-N 305.355 2.001 0 40 DEAB CCOc1cccc(C(=O)Oc2cccc(-n3cnnn3)c2)c1 21798511 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2.140 0 40 DEAB CCS(=O)(=O)c1ccccc1NC(=O)NCc1ccco1 40527052 IWWYRACUEDBIMS-UHFFFAOYSA-N 308.359 2.395 0 40 DEAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCOCC1 40540054 UAMRPPROFCWEAH-UHFFFAOYSA-N 324.686 2.149 0 40 DEAB COCCNC(=O)[C@@H](OC(=O)c1ccco1)c1ccc(C)cc1 4900537 QRNRHYNPKGMBFQ-HNNXBMFYSA-N 317.341 2.249 0 40 DEAB Nc1c(C(=O)N2CCCCC2)nnn1-c1ccc(Cl)cc1 4984422 AAYDJQBVIIXOLM-UHFFFAOYSA-N 305.769 2.129 0 40 DEAB O=C(CN1CCc2ccccc2C1)Nc1ccc2c(c1)OCO2 6229586 URDXUQCOWKJXPV-UHFFFAOYSA-N 310.353 2.412 0 40 DEAB CC[C@](C)(NC(=O)c1ccccn1)C(=O)NC1CCCCC1 246500 FGNPDLCIMWPXNM-KRWDZBQOSA-N 303.406 2.429 0 40 DEAB CCc1nnc2n1C[C@H](CNCc1nc3ccccc3o1)CC2 69665014 ZFPFBIRDFLXTSJ-LBPRGKRZSA-N 311.389 2.334 0 40 DEAB O=C(N[C@H]1CCc2ccc(F)cc21)N1CC[C@H](N2CC=CC2)C1 101387746 RXAIGYVYBQSQOM-RDJZCZTQSA-N 315.392 2.469 0 40 DEAB O=C(CSc1nnc(-c2cccnc2)o1)Nc1nccs1 10188215 YCCSGVRTZCNCFU-UHFFFAOYSA-N 319.371 2.319 0 40 DEAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)[C@@H]1CCc2ccccc21 29483068 PJZSMBGVDGGVDB-QGZVFWFLSA-N 323.396 2.343 0 40 DEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1cccc(OC(F)F)c1 101722343 HGRUVSWMNLCJIK-SNVBAGLBSA-N 323.295 2.481 0 40 DEAB CC1=C(C)C[C@H]2C(=O)N(NC(=O)c3csc(C)c3)C(=O)[C@H]2C1 102306870 UQAJZGXXGXJMID-BETUJISGSA-N 318.398 2.433 0 40 DEAB CCN(C(=O)[C@@H]1CCCc2ccccc21)[C@H](C)CS(C)(=O)=O 69740807 WIGGUQQKDVHQAH-CZUORRHYSA-N 323.458 2.388 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@@H]2CCCC[C@@H]21 46494755 VHACIQQPCUUYTD-LSDHHAIUSA-N 317.385 2.170 0 40 DEAB Cc1oc(-c2cccs2)nc1C(=O)O[C@H](C)C(=O)N(C)C 46540928 DYJQFAGGEXGSKV-SECBINFHSA-N 308.359 2.345 0 40 DEAB CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 2917275 TWJLXCLGVKSOFN-UHFFFAOYSA-N 312.373 2.025 0 40 DEAB aggregator CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccccc2)C1 101038514 HFBDLIGBWDZLIQ-LSDHHAIUSA-N 305.422 2.285 0 40 DEAB CN(Cc1ccc(Br)cc1)C(=O)c1ccc(O)nn1 23490424 XKQNIYHWBICOTA-UHFFFAOYSA-N 322.162 2.217 0 40 DEAB Cc1cc(CNC(=O)c2ccnc(-n3cncn3)c2)ccc1F 54673494 NWFKDHBYWXXOAO-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB O=C(NCC1(c2ccc(F)cc2)CC1)N[C@H]1C[C@H]2CC[C@H]1O2 108105444 IXIUMOCNJQCTBG-QLFBSQMISA-N 304.365 2.476 0 40 DEAB CCn1ncc2c(C(=O)OCCO)cc(-c3cccs3)nc21 58162587 RZIZQYMPARWPGN-UHFFFAOYSA-N 317.370 2.329 0 40 DEAB CCc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)o1 44913751 RNALUONYEQDJJN-UHFFFAOYSA-N 315.373 2.004 0 40 DEAB CCCCCCNS(=O)(=O)c1ccc(CNC(C)=O)cc1 12770626 ALZOZXCZYDKCNR-UHFFFAOYSA-N 312.435 2.181 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Nc2nc(C)cs2)c1 62639934 LUAORDGIYXYALO-UHFFFAOYSA-N 312.372 2.039 0 40 DEAB COc1cccc(CN(C)C(=O)CCNC(=O)c2ccco2)c1 7982272 ALYNJIDEVBQGDT-UHFFFAOYSA-N 316.357 2.067 0 40 DEAB CC1CCN(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)CC1 91242173 HBPMIPUSMOFFLZ-HNNXBMFYSA-N 324.446 2.214 0 40 DEAB CC(C)(C)OC(=O)NCC(=O)Nc1ccnn1C1CCCC1 69530342 UBGYXJVITKYVHQ-UHFFFAOYSA-N 308.382 2.461 0 40 DEAB COc1ccc2c(COC(=O)c3cccn3C)cc(=O)oc2c1 4414915 XAYNWOWKSDQEGW-UHFFFAOYSA-N 313.309 2.497 0 40 DEAB CCOCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 4454877 BDLYHQOWTVYYEY-UHFFFAOYSA-N 307.375 2.113 0 40 DEAB CC(C)[C@@H](C(=O)N1CCCCC1)n1nnc2ccccc2c1=O 5307893 JTHPQWZFYFPHFD-HNNXBMFYSA-N 314.389 2.001 0 40 DEAB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cnccn1 14125645 KTLDDHKYIHSFCZ-UHFFFAOYSA-N 318.764 2.219 0 40 DEAB NC(=O)c1ccc(COC(=O)c2cc(Br)c[nH]2)cc1 14199571 SUCLOMSDVIWGCY-UHFFFAOYSA-N 323.146 2.233 0 40 DEAB CNC(=S)NC1CCN(c2nc3ccccc3s2)CC1 65710898 ODQXCIXNLBWOAV-UHFFFAOYSA-N 306.460 2.359 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)N[C@H](C)C(=O)N1CCOCC1 91373354 VMQKPHYAQBSKET-QWHCGFSZSA-N 310.825 2.108 0 40 DEAB C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1ccccc1 6647352 LTPBJIDZAGCSNL-CYBMUJFWSA-N 307.353 2.274 0 40 DEAB O=C(c1cscn1)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91765736 VSNVDIDKDXXUDC-ZANVPECISA-N 310.325 2.369 0 40 DEAB CCSCc1ccc(C(=O)NCCc2nncn2C)cc1 69813898 VSKNTAHWSCFGBS-UHFFFAOYSA-N 304.419 2.041 0 40 DEAB C[C@@H](O)CN1CCN(Cc2csc(C3CCCC3)n2)CC1 69652251 FAEDMORKAMYTOA-CYBMUJFWSA-N 309.479 2.299 0 40 DEAB CCn1nnnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C 9077051 KNCBUIWZGQKQJP-QWRGUYRKSA-N 317.418 2.151 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)CCCSC(C)(C)C)C1 89954618 YWJKKKSPDOODRF-CYBMUJFWSA-N 300.468 2.425 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)NCc2cc3ccccc3[nH]2)C1 89919445 ASPOVTVNYLJNEK-QGZVFWFLSA-N 315.373 2.263 0 40 DEAB CN(CCN1CCCCCC1)C(=O)c1cccc2ccnn12 72144487 CBCAQIBWAHYOAU-UHFFFAOYSA-N 300.406 2.282 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)c2cnn(C(C)C)c2n1 84083459 GOTQHERNSKXXQY-CABCVRRESA-N 316.405 2.354 0 40 DEAB O=C(CCc1cccc(Cl)c1)Nc1nc2ncccn2n1 71795798 GWJKHTAIDDMUAW-UHFFFAOYSA-N 301.737 2.349 0 40 DEAB CC1CCC(N2CCC(NC(=O)NC[C@@H]3CCOC3)CC2)CC1 96404059 DRYFWQLOWGBWKY-CKDBGZEDSA-N 323.481 2.365 0 40 DEAB CN(CC(F)(F)F)C(=O)COc1ccc(-n2cccn2)cc1 96451848 MXLGBQREBJDOFA-UHFFFAOYSA-N 313.279 2.272 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H](c2ncc[nH]2)C1 75552832 GPIFWULJZZUIKR-OAHLLOKOSA-N 311.385 2.293 0 40 DEAB CO[C@](C)(C(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccccc1 71882639 BNSVJRHRAXNISW-KRWDZBQOSA-N 316.332 2.425 0 40 DEAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCn2ncnc21 71839405 JRLOGNYMYABJMH-UHFFFAOYSA-N 311.267 2.051 0 40 DEAB Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1Cl 71847495 PNHGKDJTHLJKQI-GFCCVEGCSA-N 309.797 2.311 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cs1 71869892 CVRTVTGNBGIPIQ-CQSZACIVSA-N 318.446 2.444 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n1 76049260 QUXYRCLSSNKISC-AWEZNQCLSA-N 318.425 2.108 0 40 DEAB COc1c([C@H]2CCCN2Cc2nc(C3CC3)no2)c(C)nn1C 72253748 MGJFMXAGKNQDGK-GFCCVEGCSA-N 317.393 2.335 0 40 DEAB O=C(c1c(F)ccc(F)c1F)N1CCN(c2ccncc2)CC1 97096736 IIMYOAYZRXAPCS-UHFFFAOYSA-N 321.302 2.461 0 40 DEAB Cc1cnc(CN2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)cn1 84258416 CIJHFLWLZPKKJQ-AWEZNQCLSA-N 306.410 2.226 0 40 DEAB NC(=O)[C@@H]1CCCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 97113856 SVDNISYCDASOAL-OLZOCXBDSA-N 321.387 2.037 0 40 DEAB NC(=O)c1cccc(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)c1 77491674 XCMWBAYOWKPRNR-UHFFFAOYSA-N 313.744 2.266 0 40 DEAB O[C@H]1CCC[C@H]1NCc1cc(Br)cc2c1OCC2 97377850 LMYUDBMDBBUSOU-OLZOCXBDSA-N 312.207 2.387 0 40 DEAB Cc1cc(C)nc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1 97378630 UQYDPMMMZPLZMB-LBPRGKRZSA-N 316.361 2.118 0 40 DEAB CC(C)(C)C(=O)NCCc1nc(COc2ccccc2)no1 78773746 RCSADMDSPOMSLT-UHFFFAOYSA-N 303.362 2.353 0 40 DEAB COC(=O)[C@@H](CSc1ccc2ccccc2n1)NC(C)=O 78879588 ZOLGFNXMWJQRSV-CYBMUJFWSA-N 304.371 2.005 0 40 DEAB O=C(NC[C@@H](O)c1ccc(Cl)cc1Cl)c1csnn1 95417396 DTDFYUWBRKLMFU-SNVBAGLBSA-N 318.185 2.308 0 40 DEAB Cn1cc(NC(=O)[C@@H]2SCCc3ccccc32)cc1C(N)=O 95404092 FYYOWAZNYQFUKK-CQSZACIVSA-N 315.398 2.093 0 40 DEAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NCCCCn1ccnc1 98014421 HRZILXURUWXWLU-KFWWJZLASA-N 320.437 2.166 0 40 DEAB O=C1COc2ccc(C(=O)Nc3ccc4[nH]ncc4c3)cc2N1 73572750 BVHVUAALYZBWLE-UHFFFAOYSA-N 308.297 2.146 0 40 DEAB CCOC(=O)N1CCC(N[C@@H](CO)c2ccccc2F)CC1 95989983 PCZRJKWUSPTCBQ-HNNXBMFYSA-N 310.369 2.070 0 40 DEAB CCc1cc(=O)[nH]c(CN(C)Cc2csc([C@H](C)OC)n2)n1 89282851 ZCHHAPDEWYDKBG-JTQLQIEISA-N 322.434 2.128 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1C1CCCCC1 79985354 BAWCIPMJPIZPOY-WBVHZDCISA-N 323.481 2.461 0 40 DEAB CCc1nc(C[S@@](=O)[C@H](C)C(=O)NCC(C)C)cs1 64823739 HKGQGESCFBUOTR-DGIBIBHMSA-N 302.465 2.115 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2 408667046 PYGRBVUEZHRERP-QFWNWRTJSA-N 301.342 2.221 0 40 DEAB O=C(N[C@@H]1CCN(Cc2cncs2)C1)c1ccc(F)cc1 1009918645 IAUITKHNJDSCJH-CYBMUJFWSA-N 305.378 2.287 0 40 DEAB CNC(=O)c1ccc(-c2ccccc2CN2CCOCC2)o1 32511843 LUSQKHQPPOPPCH-UHFFFAOYSA-N 300.358 2.138 0 40 DEAB Cc1cc(F)ccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 76332022 NVKJYCDTYRCMJM-CYBMUJFWSA-N 322.428 2.139 0 40 DEAB CC(C)CCNC(=O)c1c(-n2cnnn2)sc2c1CCCC2 32104661 RGAFCJZPHSMRCQ-UHFFFAOYSA-N 319.434 2.379 0 40 DEAB COc1ccc(CN2CCOC[C@H](Oc3ccccc3)C2)cn1 77265860 FDCJPPQZBXRQFJ-QGZVFWFLSA-N 314.385 2.370 0 40 DEAB biogenic,in-vitro CCN(CCN)C1CCN(C(=O)OCc2ccccc2)CC1 79391789 VLVOHPTYECSDBE-UHFFFAOYSA-N 305.422 2.068 0 40 DEAB CCOc1ccc(/C=C/C(=O)NCCC(=O)OC)cc1OCC 32988943 NUMHLZNUALNHJF-VQHVLOKHSA-N 321.373 2.177 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)c1noc2c1CCCC2 79028391 QNFAZIMSNXTQDW-CQSZACIVSA-N 300.358 2.325 0 40 DEAB CCCc1nc(NCCCN(C)C)c2c(n1)c(C)nn2CC 72237838 YZIIRTSYASEOLQ-UHFFFAOYSA-N 304.442 2.471 0 40 DEAB O=C(NCCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)C1CCCCC1 73755086 VBLYAFRJBNTQHX-HZPDHXFCSA-N 319.449 2.291 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 79311253 LTOCZLLLMGMWQY-SNVBAGLBSA-N 314.311 2.094 0 40 DEAB CC(C)(C)O[C@@H](O)N[C@H](Cc1ccc(Cl)cc1)C(=O)O 1537785281 RFINNQPEUBQDTL-DGCLKSJQSA-N 301.770 2.016 0 40 DEAB CC(C)Cc1ccc(CS(=O)(=O)[C@@H](C)c2nnnn2C)cc1 195577221 PILPYNNYCQLDJO-LBPRGKRZSA-N 322.434 2.085 0 40 DEAB O=C(NCc1cccnc1)c1ccnc(O[C@H]2CCSC2)c1 225719446 VYDBANPKBAYLGY-AWEZNQCLSA-N 315.398 2.291 0 40 DEAB CCOC[C@@H]1CCC[C@]12CN(C(=O)c1ccc(C)nc1)CCO2 96160872 LVHHFKAAUKPFJF-WMZOPIPTSA-N 318.417 2.438 0 40 DEAB CN1Cc2ccccc2CC2(CCN([C@@H]3CCOC3)CC2)C1=O 96161316 HBJGSGGBYWGABK-QGZVFWFLSA-N 314.429 2.072 0 40 DEAB O=C(c1ccco1)N1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 96187184 LEEWSPPOSWSCCB-INWMFGNUSA-N 314.341 2.126 0 40 DEAB COCCN1CC[C@H]2OCCC[C@]2(COCc2cccnc2)C1 96040120 IDIYRJKYAQCZTE-QZTJIDSGSA-N 320.433 2.116 0 40 DEAB COc1ccc2c(c1)nc1n2[C@@H](CNCc2cccnc2)COC1 96112678 FZCVURZPXAHBGW-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)[C@@H](O)Cc1ccccc1 331208106 FPTBSXDIFVKYNH-IWCQGFGOSA-N 305.418 2.156 0 40 DEAB CC[C@](C)(NCC(=O)NCc1cccnc1)c1nccs1 96443439 MQCOQKCZBDIYQH-HNNXBMFYSA-N 304.419 2.069 0 40 DEAB C[C@H]1CCO[C@@H]1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 96487346 BFRVZTWXLDRXBP-NHYWBVRUSA-N 303.337 2.053 0 40 DEAB COc1cc(OC)c([C@@H](O)CCC2OCCCO2)cc1OC 95728599 SUKFNMSOXZCPFI-LBPRGKRZSA-N 312.362 2.289 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 96476232 IDKJLUONJGXPJK-LBPRGKRZSA-N 316.357 2.039 0 40 DEAB CN1CCC[C@@H]1CCN1CCOC[C@@H]1CC(=O)c1ccccc1 97095941 ADLYBIRYGBHAFO-MSOLQXFVSA-N 316.445 2.445 0 40 DEAB O=S(=O)(NCCc1nc2ccccc2s1)c1cccnc1 96444905 CLXNKYSEPSVTQT-UHFFFAOYSA-N 319.411 2.212 0 40 DEAB C[C@H]1CN(CC2CC2)CC[C@]12CC[C@@H](C(=O)NCC1CC1)O2 96061303 MNIXOIYNFUSWQU-QANKJYHBSA-N 306.450 2.182 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](c2ccncn2)C1 257241149 HWUOBLYMVRTAKN-GFCCVEGCSA-N 312.373 2.363 0 40 DEAB CCCc1cc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)no1 257227596 FQAQVINBGHNBOY-HOCLYGCPSA-N 308.378 2.037 0 40 DEAB O=C(c1ccc(Br)o1)N1CC[C@H](c2ncon2)C1 253472789 PJTLADKLWFAXSS-ZETCQYMHSA-N 312.123 2.055 0 40 DEAB O=C(c1cccc2cccnc12)N1CCO[C@H](c2cnccn2)C1 257330834 XQFVXVJBQJCABT-INIZCTEOSA-N 320.352 2.239 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257295045 QWRPPHTYJOMPDA-LBPRGKRZSA-N 323.393 2.192 0 40 DEAB COc1ccc(OCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 257218644 DDYOMOKNBCTXOP-CYBMUJFWSA-N 315.373 2.203 0 40 DEAB CO[C@@H](C)CS(=O)(=O)Nc1ccc2nc(O)cc(C)c2c1 585141406 VKQKUBWNWAPSHV-JTQLQIEISA-N 310.375 2.025 0 40 DEAB Cc1noc([C@@H]2CCC3(CCN(C(=O)C4CC(F)C4)CC3)O2)n1 585113466 NDADYYWRTNFNAK-BPCQOVAHSA-N 323.368 2.339 0 40 DEAB Cn1cncc1C(=O)N[C@H](c1ccccc1)C1(CO)CC=CC1 585141330 SUTUUVZXDCOTLP-MRXNPFEDSA-N 311.385 2.220 0 40 DEAB CCOCc1nnc2n1CCN(C(=O)C1=CCCCC1)[C@H](C)C2 585098265 SRRFYGJPKVRMOT-CYBMUJFWSA-N 318.421 2.088 0 40 DEAB C[C@H](c1nnc(N)s1)n1nc(C(F)(F)F)c2c1CCC2 675032512 YGTDZBLPHQGDQH-RXMQYKEDSA-N 303.313 2.434 0 40 DEAB C[C@H]1CCCCN1CCNC(=O)c1cc(F)cc2[nH]cnc12 53810268 VZDPKNHHIQEBFW-NSHDSACASA-N 304.369 2.306 0 40 DEAB CCc1nc(C)c(C(=O)NCCNC(=O)c2cccs2)s1 50332016 ZZEJKSSDTTUUJI-UHFFFAOYSA-N 323.443 2.235 0 40 DEAB Cc1nc(CNC(=O)N2CCC[C@H](N3CCCC3)C2)cs1 65413007 YPPXSZJFZPDWQB-AWEZNQCLSA-N 308.451 2.221 0 40 DEAB FC(F)(F)c1ccnc(NCc2nc(-c3ccco3)n[nH]2)n1 69773192 KEPHYHYRKAGICO-UHFFFAOYSA-N 310.239 2.486 0 40 DEAB CC(C)NS(=O)(=O)[C@@H]1CCN([C@@H](C)Cc2ccsc2)C1 97084470 ZXNOPKSLNQIIJK-GXTWGEPZSA-N 316.492 2.081 0 40 DEAB Cc1nc(Nc2ccccc2)cc(N2CCC[C@H](C(N)=O)C2)n1 891493788 WRKZIGXKJPSLLM-ZDUSSCGKSA-N 311.389 2.230 0 40 DEAB CC[C@@H]1CN(C(=O)C2CCCC2)[C@H](CO)[C@@H]1CN(CC)CC 1772595050 SFFPZZYUOVVROR-DJIMGWMZSA-N 310.482 2.364 0 40 DEAB C[C@@]1(C(=O)NC2CCN(Cc3cccc(F)c3)CC2)CCCO1 12201729 XMOGRJWTMKFGEX-SFHVURJKSA-N 320.408 2.475 0 40 DEAB CC[C@H](C)NC(=O)Cn1cccc2cc([C@H]3CCCNC3)nc1-2 12241873 VXABRGGIUDEMJK-ZFWWWQNUSA-N 314.433 2.370 0 40 DEAB C/C=C/Cn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12362785 RYUGQMFJMJEGPY-AATRIKPKSA-N 322.434 2.138 0 40 DEAB biogenic CC(C)[C@@H](NC(=O)C1CC1)c1cc(=O)[nH]c(-c2cccnc2)n1 19445623 YOSMAEWCNNDYBM-OAHLLOKOSA-N 312.373 2.055 0 40 DEAB CO[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)CC[C@]12CCCO2 257248466 JDTWIWBMYASEAT-SJLPKXTDSA-N 318.417 2.203 0 40 DEAB O=C(NC[C@H]1CCCO1)c1ccc(Br)cc1F 19508182 BHRLNUSJLMNBPK-SECBINFHSA-N 302.143 2.497 0 40 DEAB Clc1cnccc1OCC1CCN(CCn2ccnn2)CC1 1849466851 CJEBUUBRPPTLGG-UHFFFAOYSA-N 321.812 2.118 0 40 DEAB COCCn1/c(=N/C(=O)c2ccno2)sc2cccc(F)c21 101120991 XKFUABJVXCJTQQ-VKAVYKQESA-N 321.333 2.217 0 40 DEAB O=C(NCC1CCN(c2ncccn2)CC1)c1ccsc1 43976733 BXPDMOIBHUWWHL-UHFFFAOYSA-N 302.403 2.185 0 40 DEAB O=C(CSCc1ccccc1)N1CC(Nc2ccncn2)C1 618256459 RSRORXKLYNUKSQ-UHFFFAOYSA-N 314.414 2.033 0 40 DEAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)[C@@H]1CCOC1 585147928 IJPJFAWWIDESAL-CABCVRRESA-N 301.342 2.133 0 40 DEAB CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 38609 NBYSTXJLKFMDBD-CABCVRRESA-N 318.373 2.499 0 40 DEAB Cc1ccc([C@](O)(CCNC(=O)N2CCC2)C(F)(F)F)o1 45436047 LOICUGDFMDJDCU-GFCCVEGCSA-N 306.284 2.143 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)CCc2ccccn2)cc1 1758906 UABVNDAVFWBXSK-UHFFFAOYSA-N 304.371 2.056 0 40 DEAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(F)c(F)c1 40510774 CIEVBOWEPDNGHI-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB O=C(COC(=O)Cn1cnc2ccccc21)Nc1ccccc1 3293162 QBOZKQMHVFSYKV-UHFFFAOYSA-N 309.325 2.218 0 40 DEAB CCOC(=O)c1cnc(SCc2ccc(C#N)cc2)nc1N 3339957 ZIXXIZOGUGCJDQ-UHFFFAOYSA-N 314.370 2.399 0 40 DEAB O=C(Cc1ccccc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 46069166 CWMWQXTUWRWEPW-LJQANCHMSA-N 324.424 2.107 0 40 DEAB C[C@H]1CN(c2ccc(C(=O)O)cn2)CCN1C(=O)OC(C)(C)C 6744056 OLQYDWGOSNEFKE-NSHDSACASA-N 321.377 2.225 0 40 DEAB N=C1O[C@H](c2ccc([C@H]3OC(=N)C(O)=C3O)cc2)C(O)=C1O 104239980 LUVGEWJRZDBOAQ-VXGBXAGGSA-N 304.258 2.439 0 40 DEAB Cc1cccc(OCCN(C)C(=O)c2ccc(C)[nH]c2=O)c1 75118998 GVFOHPDMJFRSLB-UHFFFAOYSA-N 300.358 2.143 0 40 DEAB COCCN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)C1CC1 75118070 FDTSNYURTXDCBV-UHFFFAOYSA-N 312.369 2.293 0 40 DEAB CC(=O)c1c(C)cc(C)c(Cn2cnnc2[S@](C)=O)c1C 103922997 SXTLDFQMZJGTKB-OAQYLSRUSA-N 305.403 2.192 0 40 DEAB Cc1nc2ccccc2nc1CN1CCC(NC(=O)C2CC2)CC1 42294349 LMLQBGORBIDLSH-UHFFFAOYSA-N 324.428 2.429 0 40 DEAB Cc1ncc(CN2C[C@@H]3ON=C(c4ccccc4C)[C@H]3C2)cn1 57823068 XCGODBKYGKTDDD-IRXDYDNUSA-N 308.385 2.328 0 40 DEAB Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2O)cc1 12322032 PLBQJLSZRFHIMD-UHFFFAOYSA-N 311.345 2.018 0 40 DEAB COc1cc(CNC(=O)c2ccc(-n3ccnc3)cc2)ccn1 24050928 ZWKFZWOURYASCX-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB C[C@@H](NC(=O)NCCNc1cnccn1)c1ccc(F)c(F)c1 42808967 SIAYBJAXILDWIK-SNVBAGLBSA-N 321.331 2.227 0 40 DEAB Cc1ccnc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)c1 12324941 JVRRUYPFWJWQFW-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB O=C(Nc1ccccc1-n1cnnn1)c1ccc(F)c(F)c1 47327135 QYBBMGPQFKBPCW-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB C[C@@H](Oc1cccc(F)c1)C(=O)NC1CCN(C2CC2)CC1 24747650 UKWVTNVUJBMCMZ-GFCCVEGCSA-N 306.381 2.336 0 40 DEAB Cc1ccc(O)c(/C=C2\NC(=S)N(C3CCCCC3)C2=O)n1 102091335 YVAGGGHFNPFPJC-LCYFTJDESA-N 317.414 2.486 0 40 DEAB O=C(Nc1ccc(O)cc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 57559899 KWDBBCWSUGOJMF-OAHLLOKOSA-N 324.380 2.422 0 40 DEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)ccc1OC 25263125 IOSKNWPBCKNTHJ-HUBLWGQQSA-N 321.421 2.264 0 40 DEAB CC(C)c1cc(NC(=O)c2cccc(S(C)(=O)=O)c2)[nH]n1 58141201 YCBXNJCNEXXVOX-UHFFFAOYSA-N 307.375 2.189 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H]2CN2CCCC2)cc1 58357373 APMDKQHNAVJAAO-INIZCTEOSA-N 302.418 2.325 0 40 DEAB C[C@H]1CN(c2ccc(C(=O)NCc3ccoc3)cn2)C[C@@H](C)O1 48250551 PUXGLEQNHFOSNG-BETUJISGSA-N 315.373 2.218 0 40 DEAB O=C(Cc1csc(NC(=O)C2CC2)n1)Nc1nccs1 12986728 CGCYQYJNNOGZLY-UHFFFAOYSA-N 308.388 2.129 0 40 DEAB CN1CCO[C@H](CNCc2ccc(F)c(Br)c2)C1 69371152 VHMIXDHMKFDRPA-LLVKDONJSA-N 317.202 2.008 0 40 DEAB Cn1nc(C(=O)Nc2ccc(F)cc2F)c2ccccc2c1=O 3613018 XKXHCYWXKGYDHX-UHFFFAOYSA-N 315.279 2.464 0 40 DEAB Cc1cnc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1 3613604 YUSIDBJQOGNNBM-UHFFFAOYSA-N 310.401 2.364 0 40 DEAB Ic1cccc(CN2CCOCC2)c1 20230814 AXOCSNJJTDANIB-UHFFFAOYSA-N 303.143 2.123 0 40 DEAB CC(=O)Nc1nc(CN2CCC(c3cn[nH]c3)CC2)cs1 69417771 FRNAIBDIMDMLSM-UHFFFAOYSA-N 305.407 2.204 0 40 DEAB Cc1cc(NC(=O)CSc2nnc3n2CCCCC3)no1 6097136 WTZHYZFURCYDNL-UHFFFAOYSA-N 307.379 2.032 0 40 DEAB CC1(C)COC2(CCN(C(=O)Nc3ccncc3)CC2)OC1 69433596 SHDYECTWZBDVOU-UHFFFAOYSA-N 305.378 2.479 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@@H]2C)c(C)n1Cc1ccccn1 65463990 GSHYVIOWVDYSBO-AWEZNQCLSA-N 313.401 2.409 0 40 DEAB CN(C[C@H]1CCCN1c1ncnc2c1cnn2C)c1ccccc1 65434021 JPVDVNPWSGILQU-OAHLLOKOSA-N 322.416 2.469 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccco2)c1C 14182755 QNXWQQGFIIRWPR-UHFFFAOYSA-N 305.286 2.051 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)n(C)c2ccccc21 14169418 DVNOYKYGCHHVDD-ZDUSSCGKSA-N 321.380 2.318 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C2 69615171 WJOFPPOOSNBYSZ-IUODEOHRSA-N 302.422 2.421 0 40 DEAB Cc1cc(NC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)no1 69703731 DNVFCXOKWRGEKI-SNVBAGLBSA-N 311.407 2.259 0 40 DEAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)C1CCN(C)CC1 83003668 HWOFGHJQJIVAGK-CQSZACIVSA-N 301.434 2.195 0 40 DEAB CC(C)(O)CN1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 69920042 WICOXKLMZAMPEK-KRWDZBQOSA-N 316.445 2.022 0 40 DEAB CCCc1nc(Cn2c(NC[C@H](C)O)nc3ccccc32)no1 67096545 JPYKOOLZYZIZIY-NSHDSACASA-N 315.377 2.213 0 40 DEAB Cc1ccccc1CNC(=O)COC(=O)c1cccc(C)c1N 7122088 MKGQJUAJSWJGHP-UHFFFAOYSA-N 312.369 2.359 0 40 DEAB CNC(=O)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 7312692 ZGMOHRGVTZFFJQ-UHFFFAOYSA-N 302.305 2.446 0 40 DEAB Cc1nc2ccc(C(=O)O[C@H](C)C(=O)NC3CC3)cc2nc1C 7558373 NOUDTENOPBUSCU-LLVKDONJSA-N 313.357 2.071 0 40 DEAB COCCN(CCOC)c1nc2cc(C)nn2c2ccccc12 7813485 YFWBHWZIIXJCSN-UHFFFAOYSA-N 314.389 2.290 0 40 DEAB CCCC(=O)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000848 NRFSNUBKAKLZBX-CYBMUJFWSA-N 301.346 2.437 0 40 DEAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)N1CCNC1=O 9469287 VAPRWIVCZZVKAB-SSDOTTSWSA-N 319.308 2.133 0 40 DEAB Cc1cc(C)n2nc(CC(=O)N3CCCC[C@@H]3C(C)C)nc2n1 71910096 GDROYZPCRYWESO-CQSZACIVSA-N 315.421 2.321 0 40 DEAB O[C@H](c1ccccc1)C1CCN(c2nccn3cnnc23)CC1 72289803 IYOVKFBSWNUNCF-OAHLLOKOSA-N 309.373 2.074 0 40 DEAB CCc1csc([C@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)n1 72282281 MZPUTVAERWIZFC-NSHDSACASA-N 317.414 2.414 0 40 DEAB CC(C)[C@@H](NC(=O)NCCn1ccnn1)c1ccc(F)cc1F 97082935 VVKBVOXMTSNJAP-CQSZACIVSA-N 323.347 2.253 0 40 DEAB CC(C)(CN[C@@H]1CCC[C@@H]1S(C)(=O)=O)CC1CCOCC1 97033388 MVFUTTXTDKQTHE-CABCVRRESA-N 317.495 2.385 0 40 DEAB Cc1ccccc1CS(=O)(=O)N[C@@H]1c2ccccc2C[C@@H]1O 84243982 KPCHXQTVZPIJBR-DLBZAZTESA-N 317.410 2.073 0 40 DEAB O=C(NCC1(c2ccncc2)CC1)c1ccccc1-n1ccnn1 97107493 UJFNNKRDHOPFEI-UHFFFAOYSA-N 319.368 2.124 0 40 DEAB COc1cccc(CS(=O)(=O)Nc2ccnn2CC2CC2)c1 97140292 AOLYKEUXBYZDMR-UHFFFAOYSA-N 321.402 2.244 0 40 DEAB CCc1nc([C@H](C)NCC(=O)Nc2cc(C)nn2C)cs1 97112256 YNVOLNFRXXYYRS-JTQLQIEISA-N 307.423 2.037 0 40 DEAB Nc1cc2c(nn1)CCN(C(=O)CCc1c[nH]c3ccccc13)C2 89866597 AKBIZCFISUTVIV-UHFFFAOYSA-N 321.384 2.058 0 40 DEAB CN(C)c1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)O)cc1 72434077 UAZRQIHCOCMYOU-INIZCTEOSA-N 312.369 2.178 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 89938389 CDHOPSIOPHNELK-LBPRGKRZSA-N 304.438 2.292 0 40 DEAB CC(C)[C@H]1CN(C(=O)NCCOCC(F)(F)F)CCS1 76085471 IUFMQVLCOYHAHL-SNVBAGLBSA-N 314.373 2.348 0 40 DEAB COc1cc(CCNC(=O)N[C@H]2CCCC[C@H]2CO)ccc1F 95460438 FSTGQUKXPLMJHZ-ZFWWWQNUSA-N 324.396 2.227 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1oc(C)cc1C)CC2 95408001 FEFHVTRHFXVNGY-KGLIPLIRSA-N 307.390 2.289 0 40 DEAB O=S1(=O)CC[C@H](N(Cc2ccon2)Cc2ccccc2F)C1 84716150 BTBBNNOVHUHERR-AWEZNQCLSA-N 324.377 2.003 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(=O)[nH]1 76044335 VKABTNFXANLNIN-LBPRGKRZSA-N 316.361 2.167 0 40 DEAB CC1(C)C(=O)NCCN1C(=O)c1cc(Cl)sc1Cl 21009537 TUNQMDNTDIPAHB-UHFFFAOYSA-N 307.202 2.406 0 40 DEAB CCO[C@H]1C[C@@H](N(C)C(=O)c2nccnc2N)C12CCCCC2 76023012 BIDFMQYAACDZKX-OLZOCXBDSA-N 318.421 2.259 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)NCc2ccc[nH]2)[C@@H]1c1ccccc1 74121703 QATNDCKCSRHNRO-WBVHZDCISA-N 311.385 2.241 0 40 DEAB O=S(=O)(C[C@H]1CCCCN1)c1ccc(Br)cc1 95908569 WGDOWJROEUCTKV-LLVKDONJSA-N 318.236 2.365 0 40 DEAB Cn1cc(/C=C/C(=O)NS(=O)(=O)CC2CC2)c2ccccc21 95962593 KYVLLHPMZMNVLH-CMDGGOBGSA-N 318.398 2.048 0 40 DEAB CC(C)(C)S(=O)(=O)CC(=O)Nc1cncc2ccccc12 95981894 XAFYCLAHJXTXAQ-UHFFFAOYSA-N 306.387 2.387 0 40 DEAB CCc1nnc(Cn2nnc(-c3ccc(C(C)C)cc3)n2)n1C 89296180 ZULGGZPQIUBAIR-UHFFFAOYSA-N 311.393 2.203 0 40 DEAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(C2CC2)[nH]n1 30517413 JMHJXENWVGPBRO-UHFFFAOYSA-N 324.384 2.344 0 40 DEAB O=C1N=C(O)[C@@](CCN2CCCCC2)(c2ccccc2)C(=O)N1 31938252 IEJANWYSGVNAOH-UHFFFAOYSA-N 315.373 2.007 0 40 DEAB CC1CCN(C(=O)c2cnc(C[C@@H]3CCCN(C)C3)cn2)CC1 72387199 PZWJUJPTMUHPAT-HNNXBMFYSA-N 316.449 2.233 0 40 DEAB Cc1noc(C)c1CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1 561189457 CLGORHBCCBVWNH-MRXNPFEDSA-N 313.401 2.430 0 40 DEAB CN1CCC[C@H]1c1ccnc(C(=O)NCC2CCOCC2)c1 72387070 RXXIVLVSLVSMND-INIZCTEOSA-N 303.406 2.005 0 40 DEAB N[C@@]1(C(=O)O)C[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21 71186800 UOOVYTTYBFNPLU-LPHOPBHVSA-N 323.348 2.144 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)Cc1ccc2c(c1)CCO2 225601260 JIUGFZGFEIGDJE-NSHDSACASA-N 313.401 2.333 0 40 DEAB CC1(C)CC(NC(=O)C(=O)Nc2cccc(F)c2)CC(C)(C)N1 42645729 GQCVTMVYEODMMG-UHFFFAOYSA-N 321.396 2.190 0 40 DEAB Cc1cc(C)n(CCNS(=O)(=O)/C=C/c2ccccc2)n1 44159150 IQVKBCYMALYMKY-DHZHZOJOSA-N 305.403 2.090 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCCOC(C)C 222746636 YRWNRZQPZHPZJV-OAHLLOKOSA-N 320.433 2.355 0 40 DEAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCCN(C)C 224473097 BQBPITTUIOZNDQ-AWEZNQCLSA-N 304.434 2.401 0 40 DEAB CCc1[nH]nc(CN2CCCN(Cc3ccccn3)CC2)c1C 20538738 LMKQMYRSUUWUJM-UHFFFAOYSA-N 313.449 2.383 0 40 DEAB CCc1cc(NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)n(C)n1 95413311 RDACSDUFQMQBQZ-JQWIXIFHSA-N 306.366 2.209 0 40 DEAB O=C(c1ccoc1)N1CCC[C@@]2(C[C@H](n3ccnc3)CO2)C1 96073903 BOHSFIKAHTYUKJ-GOEBONIOSA-N 301.346 2.113 0 40 DEAB O=C(c1cccnc1)N1CCC2(CC1)C(=O)Nc1ccccc12 96052482 UDNRWMPXHMVTOG-UHFFFAOYSA-N 307.353 2.208 0 40 DEAB O=C1C[C@@]2(CCN(c3cnccn3)C2)CN1c1cccc(F)c1 96238664 SKJQKDOUAQAGSO-QGZVFWFLSA-N 312.348 2.249 0 40 DEAB O=C(NCc1ccccc1OCCO)c1ccc(Cl)cn1 96474063 BVSPTNLFYHGPGK-UHFFFAOYSA-N 306.749 2.036 0 40 DEAB COC[C@@]12CCO[C@@H]1CCN(C(=O)Cc1ccc(C)cc1)C2 96110322 OLSCACQQBBUPHC-AEFFLSMTSA-N 303.402 2.192 0 40 DEAB c1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 96219345 RDRFNLKMUOMENY-FUHWJXTLSA-N 310.401 2.322 0 40 DEAB COC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2ccnn2C1 96188893 JATCDXQSKLVZHR-OAHLLOKOSA-N 301.390 2.170 0 40 DEAB O[C@@]1(CNC2CCN(c3ccccn3)CC2)CCc2ccccc21 90795920 KCZSSNKGKAVXOY-HXUWFJFHSA-N 323.440 2.474 0 40 DEAB CN(C)CCn1ccc2ccc(NC(=O)[C@@H]3CCCO3)cc21 96418436 HVJNDNPILWYXHY-INIZCTEOSA-N 301.390 2.320 0 40 DEAB CC[C@@H](C(=O)Nc1ccc(-c2ccccn2)cn1)N1CCCC1=O 96486088 VJGBEVSCXHQJRX-HNNXBMFYSA-N 324.384 2.483 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)n1 257222900 DVBHEGVZHLENAG-HNNXBMFYSA-N 312.421 2.445 0 40 DEAB CC(C)CNC(=O)[C@H](C)n1cc(COc2ccccc2)nn1 257173335 KERQCXHEMCHYCI-ZDUSSCGKSA-N 302.378 2.190 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCN(CC3CCOCC3)C2)c1 585268862 BTUOSKXCSCULFQ-GOSISDBHSA-N 305.418 2.237 0 40 DEAB O=C(CC1CCCC1)NCC1CCN(c2ncccn2)CC1 43976743 RPNUYWMHVMXPBD-UHFFFAOYSA-N 302.422 2.390 0 40 DEAB Cc1noc(C)c1CN1CCN(C[C@H](O)c2ccccc2)CC1 65681380 QCFQJTQOTCQELD-SFHVURJKSA-N 315.417 2.143 0 40 DEAB CN(CCNC(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C1CC1 63116572 FQRCPPXMRDKRBY-UHFFFAOYSA-N 304.438 2.340 0 40 DEAB CC(C)c1nc2n(n1)C[C@H](NCc1nnc(C(C)C)o1)CC2 70018874 FYZMOJFKFGCLAG-LLVKDONJSA-N 304.398 2.013 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 71825643 ZDFDLFAVTWQDTG-GFCCVEGCSA-N 320.418 2.185 0 40 DEAB O=C1[C@@H]2CCCN2C(=O)N1Cc1ccnn1CCc1ccccc1 97045977 YDWSDRLAAGKIRR-INIZCTEOSA-N 324.384 2.052 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NCC(=O)NC(C)(C)C 88676991 GAZOWKBLCQQIGJ-ZBFHGGJFSA-N 303.450 2.011 0 40 DEAB Cc1cc(CNC2(CO)CCOCC2)sc1Br 95420645 OXLXHIICWLDGJF-UHFFFAOYSA-N 320.252 2.450 0 40 DEAB OCCN1CCCN(Cc2ccc(Cl)cc2Cl)CC1 19851423 OUNVQIRIRNXYNC-UHFFFAOYSA-N 303.233 2.493 0 40 DEAB CCCNC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 5492746 BJKHZKRBDVCHBV-UHFFFAOYSA-N 319.434 2.404 0 40 DEAB CC[C@@H](Cn1nc(-c2cccs2)oc1=O)NC(=O)C(C)C 12185363 JPXODHOMEGDKDI-JTQLQIEISA-N 309.391 2.116 0 40 DEAB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc[nH]1 19418528 KVVAQRVUJRMXES-UHFFFAOYSA-N 318.373 2.376 0 40 DEAB CCOc1ncccc1-c1noc(CN2C[C@H](C)O[C@@H](C)C2)n1 19531583 IGRUGFKMBNGHHG-RYUDHWBXSA-N 318.377 2.140 0 40 DEAB Cc1c(-n2cnn([C@@H](C)C(=O)O)c2=O)cccc1C(F)(F)F 675083727 LFLYEYLRIPDGAC-QMMMGPOBSA-N 315.251 2.007 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cc1 1888860512 QCVSPAMBVMXSRP-GJZGRUSLSA-N 320.458 2.100 0 40 DEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccccn1 244969147 HASVESDEUYZAIL-JOCQHMNTSA-N 316.336 2.131 0 40 DEAB Cn1cc(S(=O)(=O)NCc2cc(-c3ccoc3)cs2)cn1 1775969623 CVOMVYUOWQOGTL-UHFFFAOYSA-N 323.399 2.220 0 40 DEAB Cc1ccc(-n2c(S)nnc2-c2cn(C)nn2)c(Cl)c1 1775968659 JLRDJIQLUHYWRK-UHFFFAOYSA-N 306.782 2.313 0 40 DEAB O=C(CC(F)(F)F)N1CCC[C@H](Oc2ncc(Cl)cn2)C1 575610286 VDCVUJZMXGMATN-VIFPVBQESA-N 323.702 2.452 0 40 DEAB CCOC(=O)C1CCN(c2nccc(C(F)(F)F)n2)CC1 2566974 HWGLRBSZHOOUNW-UHFFFAOYSA-N 303.284 2.275 0 40 DEAB COc1ccc(C(=O)NCCc2nc(C)cs2)cc1OC 31849048 QVEQGEWSAFGWTM-UHFFFAOYSA-N 306.387 2.441 0 40 DEAB COC(=O)/C=C/C(C(=O)OC)=C(\C)NCc1ccc(F)cc1 100925688 XJWWSYBVIJCORI-LSHJULRISA-N 307.321 2.092 0 40 DEAB Cc1ccc2[nH]c(=O)c(I)c(O)c2c1 6694398 XKDLTWPJHFTHIV-UHFFFAOYSA-N 301.083 2.147 0 40 DEAB O=C(O)c1cccc(Nc2nc3ccccc3n3nnnc23)c1 6752117 IUGKPRRENPTKRK-UHFFFAOYSA-N 306.285 2.114 0 40 DEAB CCCc1nnc(SCC(=O)Nc2ccccn2)n1CC 7365854 AJDMGECOSWAQFO-UHFFFAOYSA-N 305.407 2.376 0 40 DEAB NC(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CCCc2ccccc21 60291852 WVQFPYJIULZMQP-GDBMZVCRSA-N 300.402 2.363 0 40 DEAB O=C1CC[C@]2(C(=O)NCC(F)(F)F)Sc3ccccc3N12 32902318 CXIAJMQXWBXBMG-GFCCVEGCSA-N 316.304 2.294 0 40 DEAB CCOC(=O)N[C@H](C(=O)NCCc1ccc(F)cc1)C(C)C 32911677 XZZOYNBHBPCYHL-AWEZNQCLSA-N 310.369 2.255 0 40 DEAB Cc1noc(CNC(=O)c2ccc(C)c(Br)c2)n1 89643119 ZUYGWZZRNVTFEF-UHFFFAOYSA-N 310.151 2.379 0 40 DEAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCC(C(N)=O)CC1 22017662 DIRORWMQNCMIPO-CYBMUJFWSA-N 318.417 2.303 0 40 DEAB O=C(O)[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C[C@@]23C=C[C@H]1O3 103441561 QPIMZZREQHWMAF-NNFUDEMPSA-N 321.332 2.211 0 40 DEAB CC(C)c1nc(CN(C)C[C@@H]2COc3ccccc3O2)no1 53603259 NWTPYDXYEXKBFF-GFCCVEGCSA-N 303.362 2.465 0 40 DEAB O=C(NCc1ccoc1)NCC1(N2CCSCC2)CCCC1 47008898 HHXHRNXQGDGMSY-UHFFFAOYSA-N 323.462 2.440 0 40 DEAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(c2ncccn2)CC1 23903562 VRWOEFPBXAYAAU-GFCCVEGCSA-N 316.409 2.040 0 40 DEAB CCOC(=O)c1cc2cc(C(=O)NC[C@H]3CCCO3)ccc2[nH]1 24538805 OPZPDPIKOMZWKG-CYBMUJFWSA-N 316.357 2.253 0 40 DEAB CCc1ccc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)cc1 25235187 FAURFMBHMOFMSX-UHFFFAOYSA-N 312.369 2.440 0 40 DEAB CC(C)Sc1ccccc1C(=O)Nc1cnn(CC(N)=O)c1 55997097 ABVPXSBTEQYDEC-UHFFFAOYSA-N 318.402 2.121 0 40 DEAB Cn1cc(NC(=O)C2(CC(=O)NC(C)(C)C)CCCC2)cn1 25309721 IIFZJWDGHUVENN-UHFFFAOYSA-N 306.410 2.224 0 40 DEAB O=C1CCc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)ccc2N1 27057432 XUTKPUJHYYVKCU-QWHCGFSZSA-N 314.341 2.177 0 40 DEAB NC(=O)COc1ccc(CNCc2cc(F)cc(F)c2)cc1 27217772 YPNUBGYIPCMWDD-UHFFFAOYSA-N 306.312 2.119 0 40 DEAB COc1ccc(NS(=O)(=O)c2cc(OC)ccc2N)cc1 3209108 WFMAWHHHGMMNEZ-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB Cc1cnn(CC(=O)Nc2cccc(NC(=O)NC3CC3)c2)c1 58228137 SNRSUVFLFLPSLE-UHFFFAOYSA-N 313.361 2.114 0 40 DEAB Cc1ccc(CC(=O)NCCC(=O)Nc2ccc(C)cn2)cc1 58379056 CTAUMIVFXJFNEU-UHFFFAOYSA-N 311.385 2.386 0 40 DEAB CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccc(F)cc2)CC1 20179245 RMXUHKONZAXAQJ-HNNXBMFYSA-N 323.412 2.378 0 40 DEAB COc1c(CNCc2ccc(-n3ccnc3)cc2)c(C)nn1C 58405189 HUYUUUFCAXHXBZ-UHFFFAOYSA-N 311.389 2.213 0 40 DEAB Cc1cc(C)cc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1 12783489 JPFCRZDFMPTYKO-UHFFFAOYSA-N 314.389 2.027 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)N2CCCCCCC2)cn1 48290015 FJLMQOTVTXYXQK-UHFFFAOYSA-N 311.407 2.283 0 40 DEAB CCNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 48383506 LBYMQSOSDADMJZ-UONOGXRCSA-N 316.357 2.042 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1C 8339610 YULZLUPPXFZKSZ-UONOGXRCSA-N 319.405 2.145 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc3c(c2)OCO3)C1 3437020 ITWWQRHEVRHYCE-VXGBXAGGSA-N 319.357 2.077 0 40 DEAB CONC(=O)c1cnn(-c2ccc(Br)cc2)c1C 12986377 QKJFFFOALRVEDM-UHFFFAOYSA-N 310.151 2.234 0 40 DEAB CNCC1CCN(S(=O)(=O)c2ccc(C)cc2Cl)CC1 63159789 XYYMCOXANWWNMS-UHFFFAOYSA-N 316.854 2.269 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)O 13758516 AWWFLAVCZRAGFN-ZANVPECISA-N 310.350 2.325 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc2c(c1)OCCO2 4302422 RICMUIQESYWXLF-LBPRGKRZSA-N 322.361 2.167 0 40 DEAB Cc1ccc(N2C[C@H](C(=O)NCCCOC(C)C)CC2=O)cc1 4384608 CHQZBEOYZLZLPB-OAHLLOKOSA-N 318.417 2.279 0 40 DEAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCCn3ccnc3)cnc12 13816326 CIQXOKNPLWENAP-UHFFFAOYSA-N 307.357 2.473 0 40 DEAB COCCN(Cc1cccnc1)C(=O)N[C@H](C)c1ccccn1 69727722 NXKKEKXHRDQMQD-CQSZACIVSA-N 314.389 2.396 0 40 DEAB Cc1nc(CC(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)cs1 19297460 UHPFRGAGOMMIKC-OAHLLOKOSA-N 318.398 2.367 0 40 DEAB O=c1cc(CSc2nnc3ccccn23)nc2sccn12 5212882 YZHJVIGSDNUAMQ-UHFFFAOYSA-N 315.383 2.091 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)NCc1ccccc1F 5243926 JHSCIBIVFZGGRA-UHFFFAOYSA-N 314.316 2.440 0 40 DEAB O=C1CC[C@]2(C(=O)NC34CC5CC(CC(C5)C3)C4)SCCN12 5262190 BABZXFPABCVSQL-COCYGOQVSA-N 320.458 2.137 0 40 DEAB CCc1ncc(C(=O)NCCNC(=O)C2CCCCC2)s1 65407632 DNYBYFIVTJOGNA-UHFFFAOYSA-N 309.435 2.132 0 40 DEAB CN(C)C(=O)Cn1cnc2cc(-c3ccccc3)sc2c1=O 14094053 BPVIYCFTGZZDGJ-UHFFFAOYSA-N 313.382 2.213 0 40 DEAB CCOC(=O)C1(NC(=O)C2CCCC2)Cc2ccccc2C1 69842066 ZXDXXTRISNAEOX-UHFFFAOYSA-N 301.386 2.394 0 40 DEAB Cc1nccn1-c1ccc(CNC(=O)/C=C/c2ccco2)cn1 65659245 CLENLJDZSMPYRI-FNORWQNLSA-N 308.341 2.498 0 40 DEAB Cc1ccc([C@H](CNC(=O)NCc2cccnc2)N(C)C)cc1 65625847 NLMNRQLFHIRNFQ-KRWDZBQOSA-N 312.417 2.492 0 40 DEAB CCN(C)Cc1cccc(CNC(=O)CCCOCCOC)c1 65613092 MCCKLRGAIDRROY-UHFFFAOYSA-N 322.449 2.198 0 40 DEAB COc1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc(OC)c1 66157786 BLORXTIORMARRW-AWEZNQCLSA-N 319.405 2.406 0 40 DEAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 66313011 ONWMPGZHGMEESY-ZYHUDNBSSA-N 320.345 2.034 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3nccs3)ccc21 7276900 MIQGICHWWYRTQE-UHFFFAOYSA-N 314.370 2.434 0 40 DEAB Cc1noc(-c2cccnc2N2CC[C@@H](Cc3cnn(C)c3)C2)n1 80673655 UDMPCKZWJHVIHW-ZDUSSCGKSA-N 324.388 2.243 0 40 DEAB CCS(=O)(=O)NCCSc1nc2ccccc2s1 68043126 OVGYSOFJWRCVLD-UHFFFAOYSA-N 302.446 2.328 0 40 DEAB O=C(NCc1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCC3 7608844 AALCHVNOEUEIIK-UHFFFAOYSA-N 319.364 2.273 0 40 DEAB biogenic CN(C)C(=O)N1Cc2cccn2[C@@H](CCOc2ccccn2)C1 306141574 WAUFAHDXWBZRTM-HNNXBMFYSA-N 314.389 2.391 0 40 DEAB CC[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCOCC1 127584616 UEHDJJZDMRHOEE-AVGNSLFASA-N 322.371 2.335 0 40 DEAB COc1ccccc1OCCNc1nnnn1-c1ccccc1 7984744 XBNUPXBTIHLVNX-UHFFFAOYSA-N 311.345 2.162 0 40 DEAB O=C(c1cnc2sccn2c1=O)N1CC2(CCCCC2)C1 96003913 IWOSSSKSBIHQQE-UHFFFAOYSA-N 303.387 2.162 0 40 DEAB Cc1cccc(CC(=O)NCCc2noc(-c3ccccn3)n2)c1 89669451 BKQGKPJKIWJYJJ-UHFFFAOYSA-N 322.368 2.341 0 40 DEAB Brc1ccc(Cc2nnnn2C[C@H]2CCCO2)cc1 71907480 BFIDVMKJUOZHKQ-GFCCVEGCSA-N 323.194 2.205 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2c(C)nn(C)c2C)cc1C 9528572 WHMPKXKOQKDWJJ-UHFFFAOYSA-N 307.419 2.132 0 40 DEAB CCNC(=O)CN(CC)C(=O)N[C@H]1CCc2cc(Cl)ccc21 71803171 HXORDQHKLRDICK-AWEZNQCLSA-N 323.824 2.495 0 40 DEAB CCCCc1nc(C)c(C(=O)N2CCCn3ncnc32)s1 71839401 YWVKHLSBSPSXFV-UHFFFAOYSA-N 305.407 2.436 0 40 DEAB COc1cc(CNC(=O)NC[C@H]2CCCN(C(C)C)C2)ccn1 71857215 GBCHXBVHJQUXPD-OAHLLOKOSA-N 320.437 2.010 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72232322 IWQAWGDXYPPAKB-SNVBAGLBSA-N 321.406 2.204 0 40 DEAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCc3nccn3C2)s1 72280502 YZWKIWICQOLRIE-UPJWGTAASA-N 301.415 2.488 0 40 DEAB CC1(CCNC(=O)NC[C@@H]2C[C@H]2c2ccccc2)OCCO1 97115796 OLBZRULZAQWUQT-GJZGRUSLSA-N 304.390 2.242 0 40 DEAB C[C@H](CCc1cccn1C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 76088506 ALAYQVRTZKSEKU-GDBMZVCRSA-N 318.465 2.130 0 40 DEAB C[C@@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)CC1(C)OCCO1 84637144 QLCSOVVFFDSRHV-KOLCDFICSA-N 310.221 2.476 0 40 DEAB c1ccc(-c2cc(N3CCN(C4CC4)CC3)n3ncnc3n2)cc1 95381819 XPGBBEDFYVMYMZ-UHFFFAOYSA-N 320.400 2.076 0 40 DEAB COc1ccccc1N1CCC[C@H](Nc2nc(C)ns2)C1=O 95403255 IFBAOUZBZSWZNJ-NSHDSACASA-N 318.402 2.463 0 40 DEAB Cn1ccnc(N2CC(OCc3cccc4ccccc34)C2)c1=O 95409133 FXXCFPDEZKEVES-UHFFFAOYSA-N 321.380 2.339 0 40 DEAB C[C@H]1C[C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1 95455982 OFCJNJFCFZUEOV-SWLSCSKDSA-N 314.389 2.461 0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)Nc2ccc(F)cc2)C1 22024308 OQMTVSPFKPWJNN-OAHLLOKOSA-N 309.385 2.304 0 40 DEAB CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCC[C@@H]1S(C)(=O)=O 85295021 DKTRSAXTIQHKMJ-GJZGRUSLSA-N 320.414 2.206 0 40 DEAB CNc1ncc(C(=O)NCc2cccnc2OC(C)C)s1 95978321 WIQQFYQOCRMMSJ-UHFFFAOYSA-N 306.391 2.297 0 40 DEAB O=C(NC[C@@H]1CCCS1)N1CCc2ccccc2[C@H]1CO 95966619 ZGVFENGXSIBCSB-DZGCQCFKSA-N 306.431 2.183 0 40 DEAB C[C@@H](NC(=O)N(Cc1ccccc1)CC(C)(C)O)[C@@H]1CCOC1 95987566 QXBQIAWNEIHDNS-GDBMZVCRSA-N 320.433 2.394 0 40 DEAB COCC[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CO)C(C)C 95966626 LBFYNFGFHMMSQM-IAGOWNOFSA-N 320.433 2.349 0 40 DEAB CC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN2C(C)=O)c1 89292098 XKNXTKJIIADWFG-AWEZNQCLSA-N 308.765 2.492 0 40 DEAB CCOC(=O)Cc1csc(NC(=O)Cc2c(C)noc2C)n1 36359427 WXOBYMPTOZJHKO-UHFFFAOYSA-N 323.374 2.035 0 40 DEAB CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 32604747 LBIYSSBWQVJYQO-WOPDTQHZSA-N 313.781 2.092 0 40 DEAB COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340186 YVNQJCOHOOYXGB-QIIPPGSGSA-N 317.385 2.180 0 40 DEAB CC[C@H]1OCCC[C@H]1C(=O)N1CC(=O)N(C)c2ccccc21 559252395 RYXDZEJKSZKQQP-IUODEOHRSA-N 302.374 2.201 0 40 DEAB NC(=O)C1CCC(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)CC1 79036311 BDKFESDQPAPQCV-NEXFUWMNSA-N 307.438 2.110 0 40 DEAB O=C(CC1(C(F)(F)F)CC1)NCc1cc2n(n1)CCCO2 565843290 KPJNOVTVKZKRCU-UHFFFAOYSA-N 303.284 2.014 0 40 DEAB O=C(Cc1ccc(NC(=O)NC2CC2)cc1)NCC(F)(F)F 44035987 WDRNPJUJDYOFCG-UHFFFAOYSA-N 315.295 2.192 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1cccc(C)n1)O2 40805324 ZJWMZVRARPRIPC-QGZVFWFLSA-N 311.341 2.427 0 40 DEAB CCO[C@@H]1C[C@@](O)(CNC(=O)C2CCC(F)(F)CC2)C1(C)C 191772507 NVRDZJRCXIGQJH-IUODEOHRSA-N 319.392 2.494 0 40 DEAB C[C@@]1(C(=O)NCCCn2cccn2)CC(c2cccs2)=NO1 226747468 AUHFCZCNSFBZKO-HNNXBMFYSA-N 318.402 2.034 0 40 DEAB Cn1cc([C@@](C)(O)CNCc2ccsc2C(F)(F)F)cn1 527666658 UNPBMCRDHOZDCO-LBPRGKRZSA-N 319.352 2.498 0 40 DEAB C[C@H](O)c1ccc(CCNS(=O)(=O)c2ccccc2)s1 225688402 HIOBDAWRJGWEPF-NSHDSACASA-N 311.428 2.322 0 40 DEAB Cc1c2n(-c3ccc(O)cc3)ncn2c(=O)n1-c1ccccc1 226820499 IOUBJGXMKZFGMK-UHFFFAOYSA-N 306.325 2.290 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)N1CC=C(c2cccs2)CC1 96410468 FUDWMGNJKXNSFB-CYBMUJFWSA-N 319.430 2.216 0 40 DEAB CCO[C@@H]1C[C@H](N(C)CCCS(C)(=O)=O)C12CCCC2 96419735 DCXVYWGJWMSVRA-UONOGXRCSA-N 303.468 2.091 0 40 DEAB Cc1cnc(N2CC[C@]3(CCCN(c4ccc(C)nn4)C3)C2)nc1 96217002 HKVRWURLTSMUKJ-SFHVURJKSA-N 324.432 2.380 0 40 DEAB CCc1nc(C[S@@](=O)[C@@H](C)C(=O)NCC(C)C)cs1 96402531 HKGQGESCFBUOTR-OVWNDWIMSA-N 302.465 2.115 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)CC(=O)c1cccs1 95435143 VZMRHLUFUMKNDR-VIFPVBQESA-N 305.403 2.490 0 40 DEAB CCn1cc(C(=O)NC[C@@](C)(O)c2ccco2)c(C(C)C)n1 96459330 UDTLCNWMMAFLIS-MRXNPFEDSA-N 305.378 2.257 0 40 DEAB CCc1cc(NC(=O)N[C@@H](C)CCc2cccn2C)n(C)n1 96434942 ZNEMMTLMCKBSAS-LBPRGKRZSA-N 303.410 2.464 0 40 DEAB O=C(NCCCOC[C@H]1CCOC1)N1CCc2ccccc2C1 96419957 FMGQMOQENZGQTD-OAHLLOKOSA-N 318.417 2.198 0 40 DEAB CC(=O)N1CCC2(CCOC[C@H]2COc2ccccn2)CC1 96207245 SZWHCNJCXQZIKN-HNNXBMFYSA-N 304.390 2.126 0 40 DEAB CC(C)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCS1 96432292 TVKQZUZBJMDZFC-AWEZNQCLSA-N 316.430 2.481 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)s1 96403403 NVAHRGXAARJJMX-IJLUTSLNSA-N 318.398 2.406 0 40 DEAB COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cccc32)cc1 95116012 CIIGCMIUZOVGAL-SFHVURJKSA-N 311.337 2.416 0 40 DEAB Cc1cccc2c(CC(=O)N3CCC(n4ccnn4)CC3)c[nH]c12 96487044 GDTCAWFJHWWGNE-UHFFFAOYSA-N 323.400 2.474 0 40 DEAB CN(C)[C@@H]1COC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 96063052 ZBDXXRWSHBIBMM-INIZCTEOSA-N 320.408 2.080 0 40 DEAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@@H](C)COCC(C)C 96426370 KUZJPKPXRTZFAA-AWEZNQCLSA-N 316.405 2.367 0 40 DEAB CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2csnn2)n1 96296217 NFYYCHNNSPNHCZ-NSHDSACASA-N 307.423 2.132 0 40 DEAB biogenic,in-vitro C[C@@H](CN1CCN(C)CC1)N[C@@H]1CSCCc2ccccc21 96477278 GRPHIAPRPHTPOQ-MAUKXSAKSA-N 319.518 2.243 0 40 DEAB O=C(c1ccnc(N2CCCC2)c1)N1CCC[C@@H]1c1ccncn1 257300442 RUHHFCBBKDPWBO-MRXNPFEDSA-N 323.400 2.449 0 40 DEAB C[C@@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCCC1 253590673 DFSXMMCLLUZOIE-CQSZACIVSA-N 314.433 2.462 0 40 DEAB CNc1cc(C)nc([C@H]2COCCN2C(=O)c2ccsc2)n1 257273475 NGTAIRWZFFGFEH-GFCCVEGCSA-N 318.402 2.102 0 40 DEAB CC(C)(C)SCCN1CCC[C@@H](C(=O)N2CCOCC2)C1 252508856 XWABVNLVACMCAQ-CQSZACIVSA-N 314.495 2.089 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)Cc2ccc(C)s2)n1 257304650 SMMVUPWKXXQZFR-ZDUSSCGKSA-N 305.403 2.231 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 257344767 ZYPJMURBTCNHKL-LLVKDONJSA-N 309.366 2.035 0 40 DEAB CCCn1nccc1-c1nccnc1[C@@H]1CCCN(C(C)=O)C1 257239690 HQIZKCKOYYXHMN-CQSZACIVSA-N 313.405 2.476 0 40 DEAB Cc1cc([C@H]2CCCCN2C(=O)c2c[nH]cn2)nc2nccn12 257302582 SDLXZANJLZQESQ-CQSZACIVSA-N 310.361 2.128 0 40 DEAB Cc1cc(CC[C@@H]2CN(C(=O)c3ccsc3)CCO2)ncn1 257325016 WRCOEPBVOXRNIE-OAHLLOKOSA-N 317.414 2.320 0 40 DEAB CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(CC(=O)O)[C@H]3C[C@H]21 257203951 ASIJMZKVYOHLDJ-CXUGXGMPSA-N 317.385 2.463 0 40 DEAB C[C@]1(c2cc[nH]n2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 257301435 RYKNVUSZUATJCF-HNNXBMFYSA-N 323.393 2.291 0 40 DEAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 61328619 MMHNWDDVYLCXAQ-ZRUFSTJUSA-N 323.466 2.063 0 40 DEAB CC(C)N(C)c1cccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 68163742 MXESWOCMWFLSPP-ZDUSSCGKSA-N 324.446 2.295 0 40 DEAB CCN(CC)C[C@@H]1CCN(C(=O)Nc2c(C)nn(C)c2C)C1 1548453324 FZOLKYYGMFIALT-AWEZNQCLSA-N 307.442 2.233 0 40 DEAB CNC[C@H]1CCN(C(=O)c2ccc(Br)cc2C)C1 71142834 HSIIOXIVLARTNC-LLVKDONJSA-N 311.223 2.439 0 40 DEAB Cc1cc2c(N(C)Cc3ccc4c(c3)OCCO4)nccn2n1 548479948 QNWKETGIVSRPJA-UHFFFAOYSA-N 310.357 2.445 0 40 DEAB Cc1nc2cc([C@@H]3CCN(Cc4cccnc4)C3)nn2c(O)c1C 12222895 GNHKREWISPMGCX-OAHLLOKOSA-N 323.400 2.436 0 40 DEAB CC(C)OC(=O)Cn1c([C@H]2CCCNC2)cc2cccnc21 19450384 HDMOPGJLHRVCJA-AWEZNQCLSA-N 301.390 2.455 0 40 DEAB CC(C)[C@H](Cn1ccnn1)NC(=O)C1(c2ccc(F)cc2)CC1 575606921 HJGJDJXCXBRBAH-HNNXBMFYSA-N 316.380 2.290 0 40 DEAB Cc1nsc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889077195 DQXJOVJAYMKKQV-UHFFFAOYSA-N 324.841 2.395 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CC(Cn2ccnc2)C1 1889139407 ILWNGDXHLFKOFE-UHFFFAOYSA-N 307.756 2.377 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C[C@H]2CCCO2)CC1 1849465529 AERTVIJCAYHIMX-CQSZACIVSA-N 310.829 2.210 0 40 DEAB O=C(CCn1nnc2ccccc2c1=O)OC1CCCCC1 27445880 SUILKRBWCDOSME-UHFFFAOYSA-N 301.346 2.058 0 40 DEAB O=S(=O)(NCCn1cc(-c2ccoc2)cn1)c1cccs1 575615083 MGNXSHUMKSOTHZ-UHFFFAOYSA-N 323.399 2.183 0 40 DEAB O=C(O)CCC(=O)Nc1cccc(NC(=O)c2nccs2)c1 260939 OVZQFZQEDYDCPD-UHFFFAOYSA-N 319.342 2.199 0 40 DEAB C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccccn1 28780797 SKQOEQYKQNUBOI-LBPRGKRZSA-N 318.398 2.117 0 40 DEAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2C)cc1 4280276 CDVQOWBNNPSLBF-BBRMVZONSA-N 306.406 2.259 0 40 DEAB CCCC[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1cccc(C)c1 75106100 FKXAPYRNOCCZMZ-HOCLYGCPSA-N 318.417 2.280 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)Nc1ccc2c(c1)OCO2 46062583 IQWIYTZRAXKVRI-GFCCVEGCSA-N 314.345 2.348 0 40 DEAB CCOc1ccc(CN(C)C[C@@H](O)COC[C@@H]2CCCO2)cc1 2630963 ZWKJUCDJQFBPCW-AEFFLSMTSA-N 323.433 2.074 0 40 DEAB NC(=O)c1cnc(N2CCOc3ccccc3C2)c(Cl)c1 69350985 TYNYXPMVIRHECT-UHFFFAOYSA-N 303.749 2.233 0 40 DEAB COC(=O)CCCN(C)C(=O)c1ccc2nc(C)c(C)nc2c1 32900492 BMLJVXZYVQDALU-UHFFFAOYSA-N 315.373 2.272 0 40 DEAB CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)c1cnccn1 103163738 PEXZVTLYKOHGFJ-PBFPGSCMSA-N 302.422 2.244 0 40 DEAB CC[C@@H](NC(=O)c1nnn2cc(C)nc(O)c12)c1cccs1 75163996 CIPOBZMAEQKOTP-SECBINFHSA-N 317.374 2.081 0 40 DEAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc2[nH]nnc2c1 22389742 KQTIACDDJLYPNR-UHFFFAOYSA-N 308.345 2.205 0 40 DEAB COc1cccc(NC(=O)c2ccc(F)cc2-n2cnnn2)c1 12322665 KATJWYBZCBGSIT-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)c2sccc2Br)C1 104286889 LJNYSWDUNGQIRQ-LLVKDONJSA-N 318.192 2.447 0 40 DEAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccccc1 89845747 ZBWWKGCSSWOGPP-INIZCTEOSA-N 311.337 2.104 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 106577555 RXEGXUDJHCMGIV-ZWKOTPCHSA-N 314.429 2.158 0 40 DEAB COC(=O)c1cn(CN(C2CC2)[C@H]2CCc3ccccc32)nn1 57089960 CMTHYDZZUMQKRK-INIZCTEOSA-N 312.373 2.174 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N[C@H]2C[C@H]3CC[C@H]2O3)cn1 108104751 FLHBFSIGPWDKSO-FRRDWIJNSA-N 310.419 2.386 0 40 DEAB C[C@@H](c1cccc(O)c1)N(C)S(=O)(=O)N(C)[C@H](C)C1CC1 108127282 ISTVZIAULBDUDM-NEPJUHHUSA-N 312.435 2.360 0 40 DEAB COc1ccccc1CNC(=O)[C@H](C)c1c(C)nn(C)c1C 58156494 OFDBUTYYPKGNRY-LLVKDONJSA-N 301.390 2.465 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCCN1CCCc2ccccc21 58283821 PULWCAUBKIATJW-UHFFFAOYSA-N 312.417 2.220 0 40 DEAB COC(=O)C1=C(C(F)(F)Cl)NC(=O)N[C@H]1c1ccccc1 3366304 IERLZXMAEHWZNP-VIFPVBQESA-N 316.691 2.299 0 40 DEAB CCC(C)(C)NS(=O)(=O)c1cc(OC)c(OC)cc1C 27939503 UDKWRFUQUMLGMD-UHFFFAOYSA-N 301.408 2.479 0 40 DEAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 48325259 ZQJFWKVJYZOXJI-OAHLLOKOSA-N 302.418 2.382 0 40 DEAB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccccc1O 12865997 LVQZJXIFALPLNE-UHFFFAOYSA-N 302.305 2.242 0 40 DEAB CN(C(=O)CNC(=O)NCc1ccc(F)cc1)c1ccccc1 12930620 YSDGYXBISARPMC-UHFFFAOYSA-N 315.348 2.288 0 40 DEAB C[C@H]1CCCN(c2nc3nonc3nc2N2CCC[C@@H](C)C2)C1 13151807 MLRJYIIBDKQVBE-TXEJJXNPSA-N 316.409 2.485 0 40 DEAB COc1ccc(CC(=O)NC2(C(=O)O)CCCCC2)c(OC)c1 13168601 JODKQAVQHRYHQS-UHFFFAOYSA-N 321.373 2.150 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)cc2C(N)=O)C1 13112802 RALGILVOQDHDKN-PHIMTYICSA-N 324.808 2.322 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@@H]2c3ccccc3O[C@@H]3CCCC[C@]123 4028837 SEVNYVDCZGGKSS-FSZRXZPDSA-N 315.369 2.358 0 40 DEAB biogenic C[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@H](C)O1 17324372 ZOZMHCIXJFOOMA-STQMWFEESA-N 302.374 2.063 0 40 DEAB CC(C)(CNS(=O)(=O)c1cccc(F)c1)N1CCCCC1 8945892 RJFCDNDZPCCRIX-UHFFFAOYSA-N 314.426 2.369 0 40 DEAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](n2cccn2)C1 69629764 JUTSVUOBYOLTMG-CQSZACIVSA-N 322.368 2.202 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1Cn1cccn1 69770563 IQAXQTULSUFWKP-IUODEOHRSA-N 315.421 2.028 0 40 DEAB CCOC(=O)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 5439874 HBLCHKAFIVXLFQ-UHFFFAOYSA-N 304.346 2.095 0 40 DEAB Cc1cc(C)cc(C2(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)c1 69842129 LOGLXVASEBAAPK-HNNXBMFYSA-N 321.442 2.028 0 40 DEAB COCCNc1nc2ccccc2c2nc(-c3cccnc3)nn12 6805424 NDHGPSLJGGBFRT-UHFFFAOYSA-N 320.356 2.398 0 40 DEAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1Cn1cccn1 69930054 LOFMLFPRVKTCOW-LBPRGKRZSA-N 322.796 2.457 0 40 DEAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2cccnc2)C1 89702329 QJAYYHZOSMOIRB-MRXNPFEDSA-N 314.389 2.001 0 40 DEAB O=C(Nc1ccccc1)c1sccc1S(=O)(=O)NC1CC1 29959771 AVMPBLMMRKAWKK-UHFFFAOYSA-N 322.411 2.441 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCC[C@H](n2cccn2)C1 71186017 VCTHVSKSJRHXDY-LBPRGKRZSA-N 313.336 2.376 0 40 DEAB O=C(NCc1nnc2n1CCCCC2)C1=Cc2ccccc2OC1 89857858 DBJKLKUXHSQNOL-UHFFFAOYSA-N 324.384 2.097 0 40 DEAB O=C1Cc2cc(S(=O)(=O)NCC3CCCCC3)ccc2N1 9579296 PISZORYOBUYNOK-UHFFFAOYSA-N 308.403 2.040 0 40 DEAB O=C(O)CNC(=O)Cc1csc(-c2ccc(Cl)s2)n1 72291211 QQSLOHBWDIHGQW-UHFFFAOYSA-N 316.791 2.268 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H](CCC(=O)O)C1 97045084 URWBOEUKLLUISR-GXFFZTMASA-N 308.378 2.498 0 40 DEAB CN(CCN1CCOC1=O)Cc1cn(C)nc1-c1cccs1 97034023 BJEZNRCINZQQTC-UHFFFAOYSA-N 320.418 2.033 0 40 DEAB CCOCc1nn(C(F)F)cc1I 408715833 FLMVXQRINVHLAN-UHFFFAOYSA-N 302.062 2.419 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 78737330 VHKLJBBFZWSEBT-GFCCVEGCSA-N 315.377 2.311 0 40 DEAB CC(=O)CCCCCCC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 95449998 UZUVHUPTPNRZEA-HUUCEWRRSA-N 308.422 2.186 0 40 DEAB Cc1[nH]ccc1C(=O)Nc1cc(Br)c(=O)n(C)c1 88214037 SDOOXFGJGFUINC-UHFFFAOYSA-N 310.151 2.037 0 40 DEAB Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)NC(=O)[C@@H]2CC(=O)N(C)C2)c1 95955418 IVWKPVJFXAWNOJ-MIGQKNRLSA-N 300.402 2.082 0 40 DEAB CCc1sc([C@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)cc1C 95979505 IRJSPHSTJXRKJF-AAEUAGOBSA-N 324.446 2.043 0 40 DEAB COC(=O)C1=C(C)N(CC2CC2)C(=O)N[C@H]1c1scnc1C 95962518 KAYURLVZGGXNPP-GFCCVEGCSA-N 321.402 2.375 0 40 DEAB COC(=O)c1ccsc1N1CC[C@H](Sc2ncc[nH]2)C1=O 75077327 WJVBNPHMHNUITH-VIFPVBQESA-N 323.399 2.155 0 40 DEAB COc1cccc(-c2nnc3sc(NC(=O)C(C)C)nn23)c1 20902157 KCTVLTCHOPJOLB-UHFFFAOYSA-N 317.374 2.456 0 40 DEAB C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@H]21 408649926 LUMNDUXOBQBCGH-CDMKHQONSA-N 318.760 2.182 0 40 DEAB C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(Cc2ccccn2)C1=O 120290457 OJTPOYMVVYFGEW-MRXNPFEDSA-N 317.295 2.327 0 40 DEAB CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)[C@H](C)CC 77844518 GXDGWVOGHIEXBB-SJKOYZFVSA-N 306.406 2.101 0 40 DEAB CC[C@@H](C(=O)NC[C@@]1(OCCO)CCSC1)c1ccccc1 1565519917 TXGDAIVWRVAMDA-WBVHZDCISA-N 323.458 2.181 0 40 DEAB CCN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1 79391684 DKKKNTGBCSBRBJ-QGZVFWFLSA-N 320.433 2.492 0 40 DEAB Cc1c(CNC(=O)C2(c3ccccc3)CCOCC2)cnn1C 72265162 VLIOGMWITWDGMM-UHFFFAOYSA-N 313.401 2.093 0 40 DEAB O=C(O)COc1ccc(CNCc2ccc3c(c2)OCO3)cc1 72238796 LEHOWUULJSZBLV-UHFFFAOYSA-N 315.325 2.169 0 40 DEAB COc1ccc(C(=O)NCC[C@H](O)c2ccco2)cc1OC 72242725 COVPFCVPRUWLKT-LBPRGKRZSA-N 305.330 2.150 0 40 DEAB COc1ccc(C[S@](=O)Cc2nnc(C)n2C)cc1Cl 191212119 JWKRMGOLFWDOMK-FQEVSTJZSA-N 313.810 2.234 0 40 DEAB 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DEAB CCNC(=S)N1CCN(c2nc3ccccc3n2CC)CC1 1370916 NPDFDXNPWZIKKB-UHFFFAOYSA-N 317.462 2.073 0 40 DEAB CC(C)(CCCCC(C)(C)NC1=NCCO1)NC1=NCCO1 1638854 ZOXHZXACHGARII-UHFFFAOYSA-N 310.442 2.056 0 40 DEAB CO[C@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1ccc(C)cc1 1674559 NTWNRZOZJNNQKF-QZTJIDSGSA-N 314.337 2.405 0 40 DEAB Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)O 4130230 CSGYLSSUDFQXJR-UHFFFAOYSA-N 312.782 2.257 0 40 DEAB Cc1ccccc1OCC(=O)O[C@H](C)C(=O)NC1CCCC1 7601321 BZXFIQLDGMDBEC-CYBMUJFWSA-N 305.374 2.364 0 40 DEAB Sc1nnc(-c2ccco2)n1-c1ccc(Cn2cncn2)cc1 20728642 LRZXNQBVWXXKIV-UHFFFAOYSA-N 324.369 2.456 0 40 DEAB C[C@H]1CN(C(=O)CN2CCSC[C@@H]2c2ccccc2)CCO1 75139853 ANCZDBVNCQUOMX-GOEBONIOSA-N 320.458 2.024 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ncoc1C(C)C 102729122 WJOZJMWSUZJZMI-FIQHERPVSA-N 306.362 2.116 0 40 DEAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)NC(=O)NC1CCCC1 102249441 JAVHWSZUKYOSCI-RWMBFGLXSA-N 322.405 2.124 0 40 DEAB CCn1nnc2cc(C(=O)Nc3cccc(C(=O)OC)c3)ccc21 9747065 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313.492 2.401 0 40 DEAB c1ccc(CN2CCC[C@@]3(CCN([C@H]4CCOC4)C3)C2)nc1 248084838 JZBYUBQNIKTYPJ-ZWKOTPCHSA-N 301.434 2.158 0 40 DEAB c1cc(CN2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)co1 247984457 YQRWNQWHZYHVKS-KRWDZBQOSA-N 321.417 2.456 0 40 DEAB CC(C)n1nccc1CN1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257203424 APZJNMKGGQBIPX-GOEBONIOSA-N 304.438 2.297 0 40 DEAB O=C(c1ccccn1)N1C[C@@H](c2ccccc2)[C@@H](c2ncon2)C1 253473235 SYQBZIDHMQOSQC-GJZGRUSLSA-N 320.352 2.488 0 40 DEAB CN(Cc1ccc(-c2ccccc2C(=O)O)cc1)S(C)(=O)=O 257285722 PIMFXPNYFYDBQB-UHFFFAOYSA-N 319.382 2.443 0 40 DEAB CC(C)c1nnc(CCC(=O)N2CCC[C@H]2c2cnccn2)o1 257287603 PQQSTVCDAUYPDE-ZDUSSCGKSA-N 315.377 2.279 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H](O)[C@H](Cc3ccccc3F)C2)on1 585277733 ORZJFYPHLZPWAJ-UKRRQHHQSA-N 318.348 2.188 0 40 DEAB CS[C@H](C)C(=O)Nc1ccc(CCN2CCOCC2)cc1 56040160 YVRRXEYXSWYELU-CYBMUJFWSA-N 308.447 2.251 0 40 DEAB O=C(NCC1(O)CCOCC1)C1(c2cccs2)CCCC1 70638901 GMEHXAIJDXAEBL-UHFFFAOYSA-N 309.431 2.218 0 40 DEAB CCc1ccc(CCNC(=O)CSc2nccn2C)cc1 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2.350 0 40 DEAB COc1cc(CN[C@@H](C)Cn2cccn2)c2c(c1)C[C@@H](C)O2 69376748 LKGIFUBPBNVGNP-QWHCGFSZSA-N 301.390 2.393 0 40 DEAB C[C@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1cccnc1 69383196 ATOAEMURAUSSTG-LLVKDONJSA-N 318.402 2.012 0 40 DEAB O=C(COc1c(Cl)cccc1Cl)NC(=O)NC1CC1 6918358 ONQNLBWYBNCBDW-UHFFFAOYSA-N 303.145 2.360 0 40 DEAB COc1cccc(CC(=O)OCC(=O)NCc2ccccc2)c1 5985801 CUKKCZWHNWGJOA-UHFFFAOYSA-N 313.353 2.097 0 40 DEAB Cc1ccc(CNCCS(=O)(=O)N2CCc3ccccc32)o1 67253842 KIJLBLYPDDWDIU-UHFFFAOYSA-N 320.414 2.070 0 40 DEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(C)on1 70693372 ZWIUMZPUMGYRNO-HNNXBMFYSA-N 313.357 2.458 0 40 DEAB CC(C)CCO[C@H](C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 89821167 CTGZVFQIZJHORN-CABCVRRESA-N 313.438 2.282 0 40 DEAB c1ccc(-n2cccn2)c(CNCc2nnc3n2CCCCC3)c1 89813995 LFVSSZZWOAGPSE-UHFFFAOYSA-N 322.416 2.480 0 40 DEAB CC(C)CCNC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 89821153 NDWQWSRGJRCWJQ-AATRIKPKSA-N 316.405 2.481 0 40 DEAB CCNC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 89977417 HLVFNSXFRVUQHD-QWRGUYRKSA-N 315.200 2.349 0 40 DEAB COc1ccccc1CNC(=O)c1c(O)[nH]c2ccccc2c1=O 9043410 YVKGPMCCOUQJTN-UHFFFAOYSA-N 324.336 2.172 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N[C@H](C)CN2CCOCC2)cc1F 87037613 UYZBRKNUXBEXNW-KGLIPLIRSA-N 323.412 2.215 0 40 DEAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1cc(Cl)cc(Cl)c1 62712176 PUPMPBBWPYRJNY-UWVGGRQHSA-N 320.197 2.221 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)Cn1ccc(C(F)(F)F)n1 78379095 SEKPPEPVRYLSMC-JTQLQIEISA-N 312.295 2.307 0 40 DEAB COc1ccc(CC(=O)N2C[C@@H](C)OC(C)(C)C2)c(OC)c1 71831137 OMYGDMIGJFIRPN-GFCCVEGCSA-N 307.390 2.272 0 40 DEAB Cc1[nH]ncc1CCCNCc1csc(-c2ncccn2)n1 71809772 JQTRNINGRDZUSU-UHFFFAOYSA-N 314.418 2.354 0 40 DEAB CN(C)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 71846639 ZHRXRBODTRQMEI-UHFFFAOYSA-N 316.380 2.382 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@@H]1CCC(=O)N1Cc1ccco1 72239654 DJMYOHKAEVRZHW-HNNXBMFYSA-N 316.332 2.226 0 40 DEAB c1cncc(Cn2cc(CNc3nc4ccccc4o3)nn2)c1 97085385 YKNFCCHTRJVYCX-UHFFFAOYSA-N 306.329 2.475 0 40 DEAB c1cc(N2CCOCC2)ncc1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 97046012 DDEUZQDOBCYLTF-UAGQMJEPSA-N 315.417 2.288 0 40 DEAB CC[S@@](=O)c1ccccc1C(=O)N1CCc2cnccc21 97163989 GUYGBHIWMYLGRT-NRFANRHFSA-N 300.383 2.412 0 40 DEAB CCNC(=O)CCCC(=O)Nc1cccc(CCOC(C)=O)c1 95467886 MBTTWUQSUKHQON-UHFFFAOYSA-N 320.389 2.037 0 40 DEAB Cc1nc2ccccc2n(CCCNC(=O)C2CC=CC2)c1=O 95456644 SZFUMYWTZGRCEX-UHFFFAOYSA-N 311.385 2.177 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](N[C@H](CCO)C(C)(C)C)C1 95940727 CEXUGJJANOSHRN-QWHCGFSZSA-N 300.443 2.383 0 40 DEAB Cc1ccc(F)cc1C(=O)NCCCNCc1cccnc1 95946629 DYWBFPZOAATUEV-UHFFFAOYSA-N 301.365 2.439 0 40 DEAB CN(CCS(=O)(=O)c1ccccc1)c1nc2ccccc2[nH]1 95974649 JZTOHFXFMMBRDG-UHFFFAOYSA-N 315.398 2.473 0 40 DEAB Cc1cc(Oc2ccc(NC(=O)c3ccc(=O)n(C)c3)cc2)n[nH]1 89599227 HRKVQWSQOQAHAY-UHFFFAOYSA-N 324.340 2.461 0 40 DEAB COc1ccc(-c2cnc(CCC(=O)N3CCOCC3)o2)cc1 64022230 BVNLUZDGVWXTCS-UHFFFAOYSA-N 316.357 2.142 0 40 DEAB Cc1cn[nH]c1[C@]1(C)CCCN(S(=O)(=O)c2ccccc2)C1 72388847 ISKVWAGGHBMLLO-MRXNPFEDSA-N 319.430 2.461 0 40 DEAB Cc1cc([C@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)s1 31951280 LVSWEGOTWUSZEG-JTQLQIEISA-N 308.403 2.081 0 40 DEAB CCN(Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)N 79415501 TVSXZBNHJPRRAT-BHYGNILZSA-N 303.450 2.283 0 40 DEAB Cc1cccc2sc(NC(=O)[C@H]3CSCCC(=O)N3)nc12 75171310 HVIFJYLBKFUNLB-SECBINFHSA-N 321.427 2.165 0 40 DEAB Cn1c(Cl)nc2ccc(C(=O)NCCN3CCCCC3)cc21 225988072 KUSPXZILLUUEOC-UHFFFAOYSA-N 320.824 2.442 0 40 DEAB O=C(NCCOC[C@H]1CCCO1)NC[C@@H]1C[C@@H]1c1ccccc1 195530349 QGPHSPPFCIIZSC-GVDBMIGSSA-N 318.417 2.285 0 40 DEAB Cc1cc(C(=O)NC[C@](C)(Cc2ccccc2)[C@@H](C)O)on1 192056430 KRAAYUQRHDGVCK-DYVFJYSZSA-N 302.374 2.343 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N(CCO)Cc1cccc(Br)c1 195580548 NQIPJFVMBNEMBS-ZWNOBZJWSA-N 312.207 2.426 0 40 DEAB CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 97378790 XAUPCQMMWTUZBX-OAGGEKHMSA-N 306.406 2.223 0 40 DEAB O=C(Nc1nc(Cc2ccc(F)cc2)n[nH]1)c1ccncc1F 97237358 ZLERYQHOAMGKOL-UHFFFAOYSA-N 315.283 2.321 0 40 DEAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccccn2)N1Cc1ccncc1 96056601 LXTQXVIVGVXUMX-QZTJIDSGSA-N 322.412 2.242 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 96425578 TVMYZBUIYVHOEB-HOCLYGCPSA-N 323.458 2.463 0 40 DEAB CCn1ccnc1[C@@H](Nc1ncc(F)cn1)C1CCOCC1 577130632 IQBSQSONFJZGHD-ZDUSSCGKSA-N 305.357 2.412 0 40 DEAB Cc1c(C(=O)O[C@H](C)Cn2cccn2)cnn1-c1ccccn1 96485449 QHSLZPIFXIXRFG-GFCCVEGCSA-N 311.345 2.018 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2ccsc2)Cc2cnn(C)c21 96060078 JIHLPRZCGOZXHZ-ZDUSSCGKSA-N 305.403 2.258 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@@H](O)c2ccsc2)cn1 96417756 IPTIISYGDDFPEG-CQSZACIVSA-N 305.403 2.027 0 40 DEAB O=C1N(Cc2cccnc2)CC[C@@]12CCN(Cc1ccoc1)C2 96050502 XRYFSSFVMGLQNH-GOSISDBHSA-N 311.385 2.299 0 40 DEAB CN1C(=O)CC[C@]12CCCN(c1nccc(C(F)(F)F)n1)C2 96071169 OUUVXAMHYYIRMV-ZDUSSCGKSA-N 314.311 2.087 0 40 DEAB O=C(NC1CCCC1)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 96184735 OHRLUMNUHBKUOX-DLBZAZTESA-N 314.433 2.382 0 40 DEAB O=C(O)COc1ccc(CN2CCC[C@@H]2c2ccncn2)cc1 257340481 ZGINPHWMSAEPAV-MRXNPFEDSA-N 313.357 2.277 0 40 DEAB COC(=O)[C@@]1(F)CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 253417367 POKOOXBODDBTLB-GRDNDAEWSA-N 305.349 2.294 0 40 DEAB O=C1C[C@H](c2cc(O)n3nccc3n2)CN1c1ccc(F)cc1 257205825 BATAZARQXMOQJL-JTQLQIEISA-N 312.304 2.095 0 40 DEAB Cc1cn(C)c([C@H]2CCN(S(=O)(=O)c3ccccc3C)C2)n1 257225107 FEVLAGZOQYXXSY-AWEZNQCLSA-N 319.430 2.215 0 40 DEAB O=C(c1cccc(Oc2ccccn2)c1)N1CC(n2ccnn2)C1 252572189 YXOVUUYIKVCQGR-UHFFFAOYSA-N 321.340 2.163 0 40 DEAB COc1cccc(C[C@H]2CN(C(=O)c3ccccn3)CCO2)c1 257288752 PVLOZBBOJPPQND-INIZCTEOSA-N 312.369 2.174 0 40 DEAB COc1ccccc1CC(=O)Nc1cc(-n2ccnc2C)ncn1 96119980 XWUWSTPWAAACHU-UHFFFAOYSA-N 323.356 2.161 0 40 DEAB Cn1cc(-c2ncccc2CNC(=O)Cc2cccs2)cn1 575606889 GNCRDSPWJYYCLF-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CCCO1 42866039 MOKYGUYFEKYYCC-VIFPVBQESA-N 317.183 2.363 0 40 DEAB CCc1onc(C)c1NC(=O)NCc1nc2c(s1)COCC2 930573625 NKFKIWBJQCUFDD-UHFFFAOYSA-N 322.390 2.396 0 40 DEAB Cc1ccc2nc(COC(=O)C[C@@H](C)C3CC3)cc(=O)n2c1 68175361 NMTDFDIFLGUSJY-GFCCVEGCSA-N 300.358 2.482 0 40 DEAB CC(C)n1nnnc1-c1ccccc1NC(=O)[C@H]1OCC[C@H]1C 96010232 JAGWIINVUAAYHS-RISCZKNCSA-N 315.377 2.285 0 40 DEAB Cn1cc([C@@](C)(O)CN[C@H]2CCCc3cc(F)ccc32)cn1 97033363 VHVUXDXJKBVCRA-IRXDYDNUSA-N 303.381 2.434 0 40 DEAB CCn1c(C)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 558875662 VRTCYTBMIFBBJE-ZDUSSCGKSA-N 305.382 2.007 0 40 DEAB C[C@@H](Oc1ccccn1)C(=O)N1CCC2(CCC(O)CC2)CC1 571393999 BSWIMPBRLODHJD-CQSZACIVSA-N 318.417 2.393 0 40 DEAB O=C(CCOCc1ccccc1)N[C@@H]1c2ccccc2C[C@@H]1O 81701457 UGNDEFGDTUBJMU-PKOBYXMFSA-N 311.381 2.368 0 40 DEAB Brc1cnc(N2CCC[C@H](n3ccnc3)C2)nc1 95394298 KHFGKAQOQYVROV-NSHDSACASA-N 308.183 2.277 0 40 DEAB O=C(Cc1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1 1775973611 OZJZADQJWAIKQL-UHFFFAOYSA-N 315.348 2.228 0 40 DEAB c1cncc(-c2nc(N3CCOCC3)ncc2-c2ccncc2)c1 12232692 QDXHETPTXYMODQ-UHFFFAOYSA-N 319.368 2.437 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C)cc1 12887298 DVDFRWPIPLDCRY-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB C[C@@H]1Oc2ccccc2N(CC(=O)NC2CCCCC2)C1=O 15951986 ICJPBJYMDTXXTK-LBPRGKRZSA-N 302.374 2.249 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC[C@@]1(C)C(=O)NC1CCCC1 19746732 BVJILMTVVPUUFZ-KRWDZBQOSA-N 319.405 2.345 0 40 DEAB COC1(CNC(=O)NCCOc2ccccc2)CCSCC1 225594453 MPYVSYKLVJTDIE-UHFFFAOYSA-N 324.446 2.277 0 40 DEAB CCS(=O)(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 8840826 JZZMZHXLLRHTMR-UHFFFAOYSA-N 310.419 2.383 0 40 DEAB O=C(NC[C@H](O)c1ccsc1)c1ccc2nsnc2c1 56906275 FBDGVSDNTHEMSF-LBPRGKRZSA-N 305.384 2.216 0 40 DEAB CCOc1ccc(-c2cccc(NS(=O)(=O)CC)c2)nn1 5204263 PBKRSMNPESOZLX-UHFFFAOYSA-N 307.375 2.304 0 40 DEAB CN(C)[C@@H]1CCOC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 2055793577 YRWFRYJCXCLERP-MRXNPFEDSA-N 319.449 2.049 0 40 DEAB Cc1ccc(N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)nc1 19857038 NGIGZMMRXWQSRF-LLVKDONJSA-N 316.308 2.006 0 40 DEAB CC(C)(C)C(=O)N[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 436119219 BLNZUTVBJWIWLE-HNNXBMFYSA-N 323.481 2.062 0 40 DEAB O=C(NCC[C@H](O)c1ccco1)c1cc(=O)c2ccccc2o1 77111095 KAJSFWJUEQCRGK-LBPRGKRZSA-N 313.309 2.240 0 40 DEAB COC[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 20058094 QKUAUDHPDJEHBM-ZDUSSCGKSA-N 308.397 2.189 0 40 DEAB O=C(O)[C@H]1CS[C@@H](c2cc(F)ccc2Br)N1 76433 UAVIBZFBXKULRR-BDAKNGLRSA-N 306.156 2.376 0 40 DEAB Cc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1 156990 OWFJEUOLFWDDLQ-UHFFFAOYSA-N 315.350 2.022 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OC 269995 XTHZBJOZPGTQHB-RYUDHWBXSA-N 313.419 2.370 0 40 DEAB NC(=O)N[C@@H](CC(=O)Nc1ccccn1)c1ccccc1Cl 40475392 XMDBFVYGRLDDES-LBPRGKRZSA-N 318.764 2.473 0 40 DEAB Cn1ncnc1CNc1ccc(Cl)cc1C(=O)N1CCCC1 75105179 QJNUNHZMRCSDNB-UHFFFAOYSA-N 319.796 2.317 0 40 DEAB Nc1nnc(SCC(=O)NC2CCCCCCC2)s1 11479881 MBQXPHUPECBMOJ-UHFFFAOYSA-N 300.453 2.442 0 40 DEAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2nccs2)cc1 40555960 CPRMONPBMXFAEK-UHFFFAOYSA-N 303.387 2.091 0 40 DEAB COc1ccccc1N1CCN(c2ccc(Cl)nn2)CC1 1325959 NVOUARGRHDIUQA-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB c1ccc(CNc2nc(N3CCCCC3)c3nccnc3n2)nc1 31818438 DCMNOXVCEYBBDR-UHFFFAOYSA-N 321.388 2.417 0 40 DEAB Cc1nc(N[C@H]2CCS(=O)(=O)C2)c2c3c(sc2n1)CCC3 8401310 HWHZKMBUQXBPGV-VIFPVBQESA-N 323.443 2.087 0 40 DEAB C[C@@H](C(N)=O)S(=O)(=O)Cc1ccccc1Oc1ccccc1 46114851 RSSIQNCVEFLQPQ-LBPRGKRZSA-N 319.382 2.268 0 40 DEAB CCN1CC2(CCC1=O)CCN(C(=O)c1cnccc1C)CC2 108534082 WFQZLFPGVXPTFM-UHFFFAOYSA-N 315.417 2.255 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@H]1C 46256357 QLLZWGQQNPTCHI-CYBMUJFWSA-N 313.401 2.279 0 40 DEAB CC(C)(C)c1cn2nc(N3CCC4(CC3)OCCO4)sc2n1 32923389 KOBFIJGFKRPXPL-UHFFFAOYSA-N 322.434 2.432 0 40 DEAB Cn1ccnc1CN(C(=O)c1cnn(-c2ccccc2)c1)C1CC1 32932482 YTIFKPLLCJRRSB-UHFFFAOYSA-N 321.384 2.411 0 40 DEAB Cc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)cs1 539015 WYUIDNMKJPOLKB-UHFFFAOYSA-N 324.427 2.139 0 40 DEAB CN(C)C(=O)CN(C)C(=O)c1cc(Cl)nc2ccccc12 37250641 KPPYGRZXLJWKBR-UHFFFAOYSA-N 305.765 2.048 0 40 DEAB CC(C)C[C@H]1NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 42753692 GXMLRTUSWMQPKA-CHWSQXEVSA-N 310.781 2.340 0 40 DEAB CNC(=O)NC(=O)[C@@H](NCc1cccs1)c1ccccc1 24148578 JQAWCWRQNNMJCV-ZDUSSCGKSA-N 303.387 2.035 0 40 DEAB COc1ccc(CC(=O)Nc2ccc(-n3cncn3)cc2)cc1 24746620 HMAISKPFDYDELT-UHFFFAOYSA-N 308.341 2.457 0 40 DEAB Cc1c([C@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)cnn1C 25001689 AFOSTVMCILQPFA-JTQLQIEISA-N 310.357 2.061 0 40 DEAB CCn1cc(NC(=O)NC[C@H]2COc3ccccc3C2)cn1 43645991 YZNNEIAFPLVVFM-LBPRGKRZSA-N 300.362 2.276 0 40 DEAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@H](C)c1nc(C)no1 107323586 LXZYRGKRKJKJQH-MPKXVKKWSA-N 306.410 2.066 0 40 DEAB O=C(NC[C@@H]1CCCO1)Nc1ccc(OCC(F)(F)F)nc1 47579692 HWDOMSVADFMOBX-JTQLQIEISA-N 319.283 2.323 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)NC3=NCCS3)c12 10032787 VCTDKOHLSBKDRK-UHFFFAOYSA-N 302.359 2.241 0 40 DEAB Cc1cccc2nc(C(=O)OCc3ccc(C(N)=O)cc3)cn12 12547249 YZUTYAXFKPDFSI-UHFFFAOYSA-N 309.325 2.099 0 40 DEAB CCN(CC)CCn1cc(NC(=O)Cc2cccs2)cn1 58293844 CFDWHQRJOSGHJL-UHFFFAOYSA-N 306.435 2.468 0 40 DEAB COc1ccc(C(N)=O)cc1NC(=O)C1=Cc2ccccc2OC1 58280185 XZHUJZKSULDCHA-UHFFFAOYSA-N 324.336 2.209 0 40 DEAB Cc1cccc(CS(=O)(=O)c2nnc([C@@H](N)CC(C)C)o2)c1 2365754 HQUOFLXWQIAXGQ-ZDUSSCGKSA-N 323.418 2.398 0 40 DEAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc2c(c1)OCO2 62001529 HIVLLLMSCJPNTB-AEFFLSMTSA-N 308.337 2.340 0 40 DEAB biogenic O=C(O)[C@@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 62119118 TZOBRCABHQEZBI-MRVPVSSYSA-N 318.156 2.305 0 40 DEAB O=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)ccc1F 12880509 PUFWLGQNSSBOBY-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CN(C)C(=O)c1cc(NCC(=O)N2CCCCC2)ccc1Cl 68964023 UXHCGTOOQKQJTM-UHFFFAOYSA-N 323.824 2.466 0 40 DEAB O=C(CSc1nncc2ccccc12)NCC(F)(F)F 13005911 IBITZEMPRFJZLU-UHFFFAOYSA-N 301.293 2.400 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2Cc2nc(C3CC3)no2)n1 70010596 BVTCLAWLSCAMQL-CQSZACIVSA-N 301.394 2.425 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2c(C)noc2C)n1 70011407 QSZGILVSELCJCD-AWEZNQCLSA-N 302.378 2.410 0 40 DEAB COc1ccc(C(=O)Nc2nc(CC(=O)O)cs2)cc1OC 13406158 IMLACUXSWYHVFF-UHFFFAOYSA-N 322.342 2.040 0 40 DEAB biogenic,in-vitro Cc1ccc([C@@H](CNC(=O)Nc2ccn(C)n2)N(C)C)cc1 69528161 UGQHVXSKVOLPIB-CQSZACIVSA-N 301.394 2.153 0 40 DEAB O=C(CN1CCC(Cc2ccccc2)CC1)NC[C@H]1CCCO1 8307188 NATXJZZDKKGXKY-GOSISDBHSA-N 316.445 2.236 0 40 DEAB COC[C@H](O)CN(C)C(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 65444464 GPTNJYTXWRNWAX-OCCSQVGLSA-N 324.421 2.250 0 40 DEAB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1ccc(=O)[nH]c1 69457595 FFHGNASMQFMWSP-UHFFFAOYSA-N 301.321 2.367 0 40 DEAB CCOc1ccccc1NC(=O)c1ccc(-n2cncn2)nc1 5476086 NUFQKAMPFGDRQQ-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB Cc1ccc(N(C)C2CCN(C(=O)c3ccoc3)CC2)nn1 69699691 XAJQAZQUHQMKGO-UHFFFAOYSA-N 300.362 2.119 0 40 DEAB CN1C(=O)C[C@@H](NC(=O)N2CCC2)[C@H]1c1ccc(Cl)cc1 92353112 GUCVOZAHFODZGW-TZMCWYRMSA-N 307.781 2.027 0 40 DEAB C[C@@H](Sc1nnc(N)s1)C(=O)NCc1ccc(F)cc1 15699502 SUZTVHMTZMIGSA-SSDOTTSWSA-N 312.395 2.056 0 40 DEAB CCS(=O)(=O)NCCSc1nc(C)c(C)n1CC(C)C 68044361 WUMVQPKSAHHNQF-UHFFFAOYSA-N 319.496 2.187 0 40 DEAB CCc1sc2nc(N3CCOCC3)n3ncnc3c2c1C 8991062 FEZXKJVNTYZWNC-UHFFFAOYSA-N 303.391 2.046 0 40 DEAB CN1CN=C(SCc2cccc(Br)c2)NC1 9026304 AELSHAORLWXOCB-UHFFFAOYSA-N 300.225 2.488 0 40 DEAB O=C(NCCCOC[C@H]1CCOC1)[C@@H]1Cc2ccccc2S1 71920708 YTHBORDHAQCSRA-CJNGLKHVSA-N 321.442 2.263 0 40 DEAB CS(=O)(=O)CCC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 83984573 YFQRXKYXTOZEDN-DOTOQJQBSA-N 321.442 2.349 0 40 DEAB CN(C)C(=O)c1ccccc1NC(=O)CC1(C(=O)O)CCCC1 71804948 QNAWDJKOXVOCBG-UHFFFAOYSA-N 318.373 2.362 0 40 DEAB CCc1nnsc1C(=O)N1CCCC[C@@H]1Cn1cc(C)cn1 71865776 FDJHOBOSQKAHKC-GFCCVEGCSA-N 319.434 2.300 0 40 DEAB Cc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)on1 9710521 WWZFDJYDOXEJJS-UHFFFAOYSA-N 310.317 2.224 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2csc(COC)n2)no1 72299639 MFTHWWMNHOAILT-JTQLQIEISA-N 322.390 2.212 0 40 DEAB C[C@H](Cc1cccs1)NC(=O)Nc1cncnc1N(C)C 97083114 KLJJLCZLJORANX-SNVBAGLBSA-N 305.407 2.357 0 40 DEAB COC[C@@H](C)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 97048627 NHBONJXNHVUZSM-SNVBAGLBSA-N 319.327 2.348 0 40 DEAB O=C1CC[C@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)N1 84263287 DBTXUCZUPDPONC-GFCCVEGCSA-N 313.184 2.157 0 40 DEAB O=C(OCC[C@H]1CCCCO1)c1cccc(-n2ccnc2)n1 97166117 JQPJKNKUODCUAX-CYBMUJFWSA-N 301.346 2.383 0 40 DEAB Cc1nc(C)c(C(=O)N[C@@H](C(=O)O)c2ccccc2F)s1 97231161 ADGPHKNOMARESR-LLVKDONJSA-N 308.334 2.455 0 40 DEAB C[C@@H](NCc1nnc(C2CC2)n1C)c1ccc(-n2ccnn2)cc1 97230817 PAIZDNRDUMOBPQ-GFCCVEGCSA-N 323.404 2.124 0 40 DEAB CCN(Cc1nsc(N(C)C)n1)Cc1cccc2c1OCO2 95431167 SQAKZEPSBAOYJR-UHFFFAOYSA-N 320.418 2.355 0 40 DEAB CN([C@@H](CO)c1cccc(F)c1)S(=O)(=O)c1cccs1 95432970 WZENPZIEBHGPPS-LBPRGKRZSA-N 315.391 2.241 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N[C@@H]1CCC[C@@H](C2CC2)C1 95409963 XBMALZSUEXBWBF-ZIAGYGMSSA-N 317.437 2.035 0 40 DEAB C[C@@H](Sc1nnc(C(C)(C)C)o1)c1nc(-c2nc[nH]n2)no1 78899260 OEPVIASOUXCJGV-ZCFIWIBFSA-N 321.366 2.389 0 40 DEAB CC1(C)CN(C(=O)c2ccnc3ccccc23)CC[S@]1=O 88293271 VEJITSORIHGXFO-NRFANRHFSA-N 302.399 2.218 0 40 DEAB Cc1nnc(CCCS(=O)(=O)CCCc2ccccc2)o1 95997311 GUJOXLAZPRJTEU-UHFFFAOYSA-N 308.403 2.358 0 40 DEAB O=C(CNC(=O)c1cccc(O)c1)N[C@H](c1ccccc1)C1CC1 95945644 XRPPVHXMJFWMOG-GOSISDBHSA-N 324.380 2.390 0 40 DEAB O=C(CCC(=O)c1cccs1)N[C@@H]1c2ccccc2C[C@H]1O 75092598 GJLLENFJTQOILF-RHSMWYFYSA-N 315.394 2.486 0 40 DEAB Cc1nc(C)c(CC(=O)Nc2nc(C(C)C)cs2)c(=O)[nH]1 31228268 VNMZPQSVDQKUMX-UHFFFAOYSA-N 306.391 2.148 0 40 DEAB COc1ccc(CN2CCOC[C@@H]2CC(=O)c2ccco2)cn1 121116732 AHTLFJFOEWKNFY-AWEZNQCLSA-N 316.357 2.157 0 40 DEAB CN1CCC(CCNS(=O)(=O)c2ccc(Cl)cc2)CC1 120965163 AVLMCTWVNHDKBA-UHFFFAOYSA-N 316.854 2.350 0 40 DEAB O=C(O)CN1C(=O)[C@H](c2ccccc2)N(Cc2ccccc2)C1=O 533255272 UMOCKKGGFNLJPT-INIZCTEOSA-N 324.336 2.277 0 40 DEAB O=C(O)c1ccc(-n2cc(I)cn2)cc1 70677501 VQSGEJDBCRGJAK-UHFFFAOYSA-N 314.082 2.175 0 40 DEAB C[C@H](Cn1cc(Cl)cn1)C(=O)N[C@@H]1CCCc2c1cnn2C 71195556 IJSSMNJDBAEMSJ-ZWNOBZJWSA-N 321.812 2.100 0 40 DEAB CCc1noc(CC)c1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O 183098306 NVKTUXLOHACSRZ-HIFRSBDPSA-N 314.451 2.245 0 40 DEAB CC(=O)Nc1ccc(N[C@@H]2CCCn3nc(C(=O)O)cc32)cc1 72329841 WINLLTRZLJYLAR-CYBMUJFWSA-N 314.345 2.487 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(c2ccc3nc(-c4cccnc4)oc3c2)C1 70461395 LSQOJLYWQPRIDR-LLVKDONJSA-N 323.308 2.327 0 40 DEAB Cc1noc(C2CN(CC(=O)Nc3ccc(F)c(Cl)c3)C2)n1 49482636 ODTXOOWMHMMSHH-UHFFFAOYSA-N 324.743 2.208 0 40 DEAB CC(C)(C)OC(=O)Cc1ccccc1NC(=O)N1CC[C@H](O)C1 72569206 UCXADCHUHHSYHY-ZDUSSCGKSA-N 320.389 2.169 0 40 DEAB CCCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 42744608 HXVGZVQLBJSQPP-UHFFFAOYSA-N 318.417 2.464 0 40 DEAB COC(=O)C(C)(C)[C@H]1CCCN(C(=O)CCc2ccncc2)C1 89367135 VACFKHNQLGPKCR-HNNXBMFYSA-N 318.417 2.452 0 40 DEAB C[C@H](NC(=O)NC[C@@H](C)Sc1ccccc1)c1nncn1C 80621576 ICWGEUIFUBMJGE-NEPJUHHUSA-N 319.434 2.356 0 40 DEAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccsc1 84547353 QUEBPFCORZVFLM-UHFFFAOYSA-N 314.388 2.152 0 40 DEAB COc1ccc2cc(C(=O)N3CCCN(C4CC4)CC3)[nH]c2c1 61604649 SPRXRULFHQOKRW-UHFFFAOYSA-N 313.401 2.487 0 40 DEAB O=C(c1cccc(NCc2ccsc2)n1)N1CCC[C@H]1CO 190079745 OVOLWRINWBKZEU-ZDUSSCGKSA-N 317.414 2.352 0 40 DEAB CSc1cncc(N2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)n1 97095885 FZVYJSFIGMSCCZ-YPMHNXCESA-N 318.446 2.178 0 40 DEAB C[C@H](O)CN(C)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 95398030 ZXVADXGKYPLCCE-VIFPVBQESA-N 312.295 2.374 0 40 DEAB CC(C)CN1c2ccccc2[C@@H]2CN(S(C)(=O)=O)CC[C@@H]21 96251740 BDAJEANXGYRSMA-HOCLYGCPSA-N 308.447 2.280 0 40 DEAB O=C(Nc1c(F)cccc1F)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 238841020 HULRSCLALIHISI-ICCXJUOJSA-N 312.316 2.423 0 40 DEAB CC(C)N(C)CC(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 96449996 DMZUFSZBMOQWBB-BMIGLBTASA-N 316.804 2.357 0 40 DEAB O=C(COc1ccccc1F)Nc1cnn([C@@H]2CCOC2)c1 96123078 IKLQKHXEDBLCFV-GFCCVEGCSA-N 305.309 2.001 0 40 DEAB CCOC[C@H]1CC2(CCN(C(=O)c3ccccn3)CC2)CO1 96105885 LFTOJSRGXBIWIO-CQSZACIVSA-N 304.390 2.129 0 40 DEAB C[C@@H](O)[C@@H]1CCN(C(=O)NCCCN(C)c2ccc(F)cc2)C1 96502511 JGJSKXGCGWCXHW-ZIAGYGMSSA-N 323.412 2.064 0 40 DEAB Cn1cccc1C(=O)N1C[C@@H]2CCN(c3cccnc3)C[C@@H]2C1 96246180 HEVNMMMRQONNTO-LSDHHAIUSA-N 310.401 2.019 0 40 DEAB CS(=O)(=O)N1CCCC12CCN(Cc1ccsc1)CC2 96049344 SKIVBNLAPWAJNY-UHFFFAOYSA-N 314.476 2.138 0 40 DEAB Cc1cc(CCNC(=O)CSCc2ccccc2)nn1C 245171717 XRMXGPCUDKIXFM-UHFFFAOYSA-N 303.431 2.321 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2ccc(F)cc2)[C@H]1O 257302105 SBOJIJXDPUOXLQ-BFYDXBDKSA-N 309.381 2.145 0 40 DEAB CO[C@@H]1CC[C@H](NC(=O)NC[C@@H](O)c2cc(C)cc(C)c2)C1 252504776 VKYZXCSZGNAIGV-ARFHVFGLSA-N 306.406 2.204 0 40 DEAB c1ccc(OCCN2CCO[C@H](CCc3ccncn3)C2)cc1 257310094 UDQVCGCFKUQGSR-GOSISDBHSA-N 313.401 2.189 0 40 DEAB CS(=O)(=O)c1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 257294604 QUVZCVONFYLESG-MRXNPFEDSA-N 317.414 2.217 0 40 DEAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cc(-c2ccco2)on1 96122998 XMUHDDZBGWRKQE-LLVKDONJSA-N 314.301 2.345 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)CCc2cccc(Cl)c2Cl)C1 41126101 SSKXFBMGTMTXMN-JTQLQIEISA-N 315.200 2.260 0 40 DEAB O=C(c1ccc(Cl)s1)N1CCN(c2cnsn2)CC1 585148965 SIHWWXUHERYTMG-UHFFFAOYSA-N 314.823 2.215 0 40 DEAB Cc1cc(C)c(CCNC(=O)N2CCC(C(N)=O)CC2)c(C)c1 56423236 BWQXNZIRCPGNQC-UHFFFAOYSA-N 317.433 2.061 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1ccoc1C 69847318 ONQNAGSCNMMZFM-QGZVFWFLSA-N 312.369 2.178 0 40 DEAB C[C@@H](c1ccc(F)cc1F)N1CCN([C@@H]2C[C@@H](C)OC2=O)CC1 69531226 JKZDBKJZIIOIOH-BFQNTYOBSA-N 324.371 2.347 0 40 DEAB C[C@@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1nncn1C 69698639 VFTNDVOWDUYVGO-DGCLKSJQSA-N 317.368 2.214 0 40 DEAB C[C@H](C(=O)Nc1ccccc1SC(F)F)S(C)(=O)=O 78674961 ASIKPUCVYPDXNN-SSDOTTSWSA-N 309.359 2.373 0 40 DEAB C[C@@H](NCc1ccnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 97234105 LXXLCRKSJPJKPN-OCCSQVGLSA-N 308.426 2.298 0 40 DEAB Cc1ccc(C(=O)O)c(OCC(=O)NCCc2ccccc2)c1 13084499 ZSBBBFUMSOOMGU-UHFFFAOYSA-N 313.353 2.431 0 40 DEAB CCNC(=O)[C@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714005 YZARPNVRPALYOT-LBPRGKRZSA-N 318.826 2.021 0 40 DEAB O=C(CCc1ccccc1F)N1CCC(n2ccnn2)CC1 163229261 OKXYTBFZCJQRJC-UHFFFAOYSA-N 302.353 2.214 0 40 DEAB Cc1cccc(OC[C@H]2CCCN(Cc3nnc(C)n3C)C2)n1 1849304467 IVDSCHRZVZLWNE-HNNXBMFYSA-N 315.421 2.118 0 40 DEAB COC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1Cl)C(C)C 25366964 MYIIXNHAMSHHBR-LBPRGKRZSA-N 319.810 2.124 0 40 DEAB COCCC(=O)N1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037913154 WIUGTBQJRUCPAL-GOSISDBHSA-N 321.417 2.072 0 40 DEAB Fc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1F 1204225470 XWDDZZJYTFEHNV-KBPBESRZSA-N 316.355 2.323 0 40 DEAB Cc1nnc(SCc2ccc(Cl)c(Cl)c2)n(N)c1=O 2455518 RGEWKMZQKXRJJS-UHFFFAOYSA-N 317.201 2.260 0 40 DEAB Cc1ccnc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 4272563 UDEQYHBBULHTPL-ZDUSSCGKSA-N 310.357 2.317 0 40 DEAB CCOC(=O)c1cnc2c(OC)cccc2c1N[C@H](C)CO 4745250 FCVYPTALRWXUGP-SNVBAGLBSA-N 304.346 2.213 0 40 DEAB COc1ccccc1CN[C@H]1CCc2onc(CN(C)C)c2C1 2055734877 UXWYQCSGLQNYQK-AWEZNQCLSA-N 315.417 2.392 0 40 DEAB c1ccc(CNc2ncnc3c2ncn3C[C@@H]2CCCO2)nc1 2298071706 USALXRNLDGZSNY-ZDUSSCGKSA-N 310.361 2.012 0 40 DEAB Cc1cc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)ncn1 2298183908 YSESORBMVAPDJX-CYBMUJFWSA-N 324.375 2.259 0 40 DEAB CC(C)(C)C(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1 225731108 MTYQKZZAOWFDKK-UHFFFAOYSA-N 316.327 2.190 0 40 DEAB COc1ccc(CNC(=O)/C=C/c2c(C)nn(C)c2Cl)cn1 10991840 YZIHALQWXDHYBU-AATRIKPKSA-N 320.780 2.115 0 40 DEAB CCCN(Cc1ccc(C)cc1)C(=O)CN1CCN(CC)CC1 40465704 OMWYWSDFOARTHV-UHFFFAOYSA-N 317.477 2.371 0 40 DEAB COc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cn1 11167323 OBJHJCDFCCGJTC-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB CCC(=O)Nc1ccc(NC(=O)Cn2nnc3ccccc32)cc1 419360 OKVCKAWIABMZLE-UHFFFAOYSA-N 323.356 2.419 0 40 DEAB COCCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1 15682343 XRNAOPNJIRBMQJ-UHFFFAOYSA-N 316.340 2.304 0 40 DEAB Cn1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCCC3)n1 998640 VUHKZDIOVFRMJI-UHFFFAOYSA-N 318.402 2.102 0 40 DEAB CC(C)N(C(=O)CSc1nc2ccccc2[n+]([O-])n1)C(C)C 2559190 UAKNDOMQWXHGJA-UHFFFAOYSA-N 320.418 2.001 0 40 DEAB C[C@@H](Sc1nccn1C)C(=O)NC(=O)NC1CCCCC1 4804838 ROVXZIVUMIXTRE-SNVBAGLBSA-N 310.423 2.059 0 40 DEAB CCCc1nnc2sc(NC(=O)COc3ccccc3)nn12 6818212 NXXYSKXKOYXKNI-UHFFFAOYSA-N 317.374 2.156 0 40 DEAB CN(C(=O)Cn1nnc(-c2cccc(F)c2)n1)C1CCCCC1 7149167 GNPOSAWFCUEZAZ-UHFFFAOYSA-N 317.368 2.270 0 40 DEAB Cc1nn(C)c2cnn(CCCNC(=O)c3ccccc3F)c12 57279028 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40 DEAB Cc1cccc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1 57352353 UULIHKFVISRVIQ-UHFFFAOYSA-N 314.389 2.052 0 40 DEAB Nc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 3273517 WXACCYZJWPIPRH-NSHDSACASA-N 320.443 2.406 0 40 DEAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)NC1CC1 57774582 AUUDYZWLKUVSDH-UHFFFAOYSA-N 307.357 2.382 0 40 DEAB C[C@H](NC(=O)[C@H](C)n1cccn1)c1ccc2c(c1)OCCO2 44679236 DQTCRGSEDOONFW-RYUDHWBXSA-N 301.346 2.093 0 40 DEAB Cc1cccc(OCC(=O)NCCc2nccn2C(F)F)c1 58267375 MYMNNOFLJNJKOQ-UHFFFAOYSA-N 309.316 2.324 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCC(C(=O)NC(C)C)CC2)c1 58245615 YFSOXCROQUUUOV-UHFFFAOYSA-N 304.390 2.077 0 40 DEAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)[C@@H]1CCCO1 27866706 PNDLVOMADGJEKS-GWCFXTLKSA-N 320.414 2.418 0 40 DEAB C[C@H](C(=O)NC(N)=O)N1Cc2ccccc2-c2ccccc2C1 58324738 WDBXXFUFTRFRKB-GFCCVEGCSA-N 309.369 2.253 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@@H]1CN1CCCC1 58313423 HIODQZWHCMJRHU-MRXNPFEDSA-N 302.418 2.325 0 40 DEAB NC(=O)N[C@@H](CC(=O)N1CCCCC1)c1ccccc1Cl 12739364 WJNBSMBXGKBAEY-ZDUSSCGKSA-N 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O=C(Nc1cccnc1-n1cncn1)c1ccc(F)cc1F 58200775 HSDFFPSPWFRRBZ-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB Cc1ccc(SCCC(=O)OCC(=O)NC(=O)C(C)C)cc1 3346024 DZZBZPYIJZCSPY-UHFFFAOYSA-N 323.414 2.319 0 40 DEAB COc1cc(CCNC(=O)[C@H]2CCCO2)ccc1OC(F)F 28018481 WKKPRGVTJXTQDW-GFCCVEGCSA-N 315.316 2.134 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 10681558 JKUJSHHZXMEIAX-MRVPVSSYSA-N 310.202 2.403 0 40 DEAB COc1ccc(OCCC(=O)OCC(=O)c2ccc[nH]2)cc1 3442785 YRNWDDXLZQMGSB-UHFFFAOYSA-N 303.314 2.218 0 40 DEAB COc1ccc(OCC(=O)NC2CCCCC2)c(C(=O)O)c1 13086709 HILFESPKXNSSOC-UHFFFAOYSA-N 307.346 2.221 0 40 DEAB O=C(O)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 13167476 CUTCFLPWYLVHNO-UHFFFAOYSA-N 315.728 2.181 0 40 DEAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccccc1 13269310 PQHAHJDEWJQLPC-UHFFFAOYSA-N 317.366 2.277 0 40 DEAB O=C(CSc1nnc2n1CCCCC2)NCc1ccccc1 6098200 DXABCZLVSBLWDE-UHFFFAOYSA-N 316.430 2.413 0 40 DEAB CCn1nc(C)c(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1C 69489769 YKQNUHLLBGXBJD-LSDHHAIUSA-N 304.438 2.219 0 40 DEAB C[C@H](Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 65625630 LXQMBOZLCZQBNE-OAHLLOKOSA-N 312.417 2.297 0 40 DEAB CCc1cc(C(N)=O)c(NS(=O)(=O)Cc2ccccc2)s1 27916641 TVILMFMLOJJNDG-UHFFFAOYSA-N 324.427 2.351 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)C2CCCCC2)c1 6636248 SVNNOARAYBNGMB-UHFFFAOYSA-N 310.419 2.456 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnsc1Cl 69870925 MCEYZXLJTKTQED-VXGBXAGGSA-N 314.842 2.167 0 40 DEAB CCCn1c(C)cc(C(=O)COC(=O)c2cnccn2)c1C 7778674 VFARWULJTUSYLM-UHFFFAOYSA-N 301.346 2.345 0 40 DEAB Cc1ccc(C)c(OC[C@H](O)CN(C)c2cnn(C)c2)c1C 81088618 NTWZFHVBARNDJK-MRXNPFEDSA-N 303.406 2.221 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC=CCC2)c1 7843218 QKXTYXLAODGTPM-GFCCVEGCSA-N 308.403 2.232 0 40 DEAB COC(=O)CNc1cc(Cl)ccc1N1CCC(CO)CC1 83891298 JYUUIFKWDYMDLQ-UHFFFAOYSA-N 312.797 2.134 0 40 DEAB COCCNC(=O)c1cc(C)nc2c1cnn2C1CCCC1 71286830 DTXOBYBRBFYANJ-UHFFFAOYSA-N 302.378 2.231 0 40 DEAB COc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)c1 9235153 DCEDOLLTQDSVRR-CQSZACIVSA-N 320.414 2.440 0 40 DEAB Cc1cc(Cl)c(C(=O)Nc2c(N(C)C)nc[nH]c2=O)cc1C 96004470 KKEWLBBZYKVMIF-UHFFFAOYSA-N 320.780 2.358 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1n[nH]c(=O)c2ccccc12 19620488 AQUMPLLRYBIRPS-NSHDSACASA-N 311.341 2.267 0 40 DEAB CCc1cccc(CC)c1NC(=O)CN1CCCC[C@@H]1C(N)=O 9365585 UMBDIOXLQXFLFP-OAHLLOKOSA-N 317.433 2.090 0 40 DEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1C[C@H]2CCC[C@H]2C1 96462223 BSFQRDBRYOCZKZ-TXEJJXNPSA-N 303.406 2.248 0 40 DEAB O=C(c1ccncc1F)N1CCN(c2ccncc2Cl)CC1 89884890 SDNUZWJVDLBRRK-UHFFFAOYSA-N 320.755 2.232 0 40 DEAB CCOc1ccc(Nc2ncccc2C(=O)NC[C@H](C)O)cc1 96968452 VYXKNSNWCBASND-LBPRGKRZSA-N 315.373 2.335 0 40 DEAB CC[C@H]1C(=O)NCCN1C(=O)Nc1cc(Cl)ccc1N(C)C 89948218 KUTVISBHUHHXPA-LBPRGKRZSA-N 324.812 2.148 0 40 DEAB C[C@]1(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1(Cl)Cl 89919226 YPKGJCLCPMDPTO-GFCCVEGCSA-N 312.156 2.446 0 40 DEAB NC(=O)c1csc(C(=O)NCC2(c3ccccc3F)CC2)c1 72290310 HNLXOFYOKDGKOI-UHFFFAOYSA-N 318.373 2.448 0 40 DEAB Cc1nnc([C@H](C)NC[C@@H](c2cccs2)N2CCOCC2)o1 72276600 HIAKYKPIBJCTGH-AAEUAGOBSA-N 322.434 2.164 0 40 DEAB Cc1cc(C(=O)NCc2cccs2)nc(N2CCCC2)n1 72241123 QWEDSQBCKDLKQJ-UHFFFAOYSA-N 302.403 2.377 0 40 DEAB CC(=O)NC[C@H]1CN(c2cc(C(C)C)nc(C(C)C)n2)CCO1 97022373 RIGVOJAVLGCAIP-AWEZNQCLSA-N 320.437 2.065 0 40 DEAB Cc1cc(F)c(S(=O)(=O)NCC(C)(C)C[C@H](C)O)cc1F 97086328 UREPRYYNNHJMAC-JTQLQIEISA-N 321.389 2.349 0 40 DEAB Cn1cc(CCC(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc21 97035297 WTRVEBFLFZLVSG-AWEZNQCLSA-N 314.385 2.434 0 40 DEAB C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCO 97464351 QVWAVRMEIJSHSX-MRVPVSSYSA-N 304.209 2.038 0 40 DEAB CCc1ccc(CNC(=O)C[S@](=O)c2ccc(O)cc2)s1 95417815 SUNGCYRGKQPBEK-OAQYLSRUSA-N 323.439 2.440 0 40 DEAB CC(C)N1CCC[C@H](N2CCC(C(=O)OC(C)(C)C)CC2)C1=O 95407282 JDVIQHIKDDHHTA-HNNXBMFYSA-N 324.465 2.440 0 40 DEAB C[C@]1(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)CCCO1 95439797 BWSMVKARUCVFOU-CYBMUJFWSA-N 321.801 2.468 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@H](C)c2ccccc2)C1 95949771 WXRYXEOLUSXCMT-XJKSGUPXSA-N 303.406 2.100 0 40 DEAB O=C(NCc1ccc2c(c1)CCC2)N1CCCC2(C1)OCCO2 95982062 FIXUUHANXBZJNL-UHFFFAOYSA-N 316.401 2.224 0 40 DEAB C[C@H]1CCCN1CC(=O)NCC1(c2ccc3c(c2)OCO3)CC1 78965933 ARCYZJQEGLPBOY-ZDUSSCGKSA-N 316.401 2.047 0 40 DEAB COC(=O)[C@@H]1CCN(C(=O)c2cscn2)c2ccccc21 89226548 GHAHKMSHPGHXCZ-LLVKDONJSA-N 302.355 2.450 0 40 DEAB C[C@@H](CC(=O)N[C@H]1CCN(C(N)=O)C1)Cc1ccc(Cl)cc1 89242260 ITFJBXTYQYTTKK-RISCZKNCSA-N 323.824 2.178 0 40 DEAB CO[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1CO)c1ccc(F)cc1 89407053 VMYSTRPTWBYJDI-FVQBIDKESA-N 324.396 2.364 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n[nH]1 89598996 OXERQWSJIMVPTO-LBPRGKRZSA-N 304.419 2.432 0 40 DEAB Cc1cccc(C(N)=O)c1NCc1nccn1CC(F)(F)F 79062245 CMFCVUOHBNNGNW-UHFFFAOYSA-N 312.295 2.465 0 40 DEAB O=C(c1cnn2c1CCCC2)N1CCCCC[C@H]1c1ncon1 189570618 FMZFEVBRHXGGOO-AWEZNQCLSA-N 315.377 2.360 0 40 DEAB COCc1ccc(S(=O)(=O)Nc2nccc(C3CC3)n2)cc1 530157807 VBFBSOOZBAMNRS-UHFFFAOYSA-N 319.386 2.301 0 40 DEAB Cc1cc([C@@H](C)NC(=O)N(C)CC2(O)CCOCC2)c(C)o1 187999762 BZAAMYXQUPIFCF-GFCCVEGCSA-N 310.394 2.140 0 40 DEAB O=C(NCc1cccs1)c1ccnc(O[C@@H]2CCOC2)c1 182262577 AOLROQMWORZFEP-GFCCVEGCSA-N 304.371 2.241 0 40 DEAB Cc1cc(Nc2ccc(N3CCCC3=O)cc2)n2ncnc2n1 32888195 VQNBGFNZEWRAAW-UHFFFAOYSA-N 308.345 2.303 0 40 DEAB CC1(C)OCC2(CO1)CN(C(=O)Nc1ccc3c(c1)OCO3)C2 70971976 BYCOGZGAUTXYJR-UHFFFAOYSA-N 320.345 2.032 0 40 DEAB O=C(c1cccnc1)N1CC[C@H](c2nnc(-c3ccncc3)o2)C1 49171080 KGOZMORIVFCARV-AWEZNQCLSA-N 321.340 2.156 0 40 DEAB biogenic,in-vitro CCCC[S@](=O)Cc1ccc(S(C)(=O)=O)c(OC)c1 86968162 BWTUELHGIYXYKC-GOSISDBHSA-N 304.433 2.148 0 40 DEAB COCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225283424 KQUGAIFHRKOMPT-UHFFFAOYSA-N 307.419 2.055 0 40 DEAB COc1cccc(-c2noc(CN(C)C(=O)c3cccnc3)n2)c1 225433542 MSMBCCVGYGEAFH-UHFFFAOYSA-N 324.340 2.412 0 40 DEAB CCSC1(CNC(=O)NCCn2cccc2)CCOCC1 84441240 OSDIZVKSTBKIFR-UHFFFAOYSA-N 311.451 2.090 0 40 DEAB Cn1cc([C@](C)(O)CNCc2ccsc2C(F)(F)F)cn1 527666656 UNPBMCRDHOZDCO-GFCCVEGCSA-N 319.352 2.498 0 40 DEAB O[C@@H](CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(F)(F)F 97378159 GWLCIGOPPQAPIB-UONOGXRCSA-N 317.307 2.422 0 40 DEAB CNC(=O)N1CCC2(CC1)C(=O)N(C(C)C)c1ccc(F)cc12 96261750 QVAQRQDDZOKUGY-UHFFFAOYSA-N 319.380 2.254 0 40 DEAB CCCN1CCc2nc(N3CCCC3)nc(NC3CC3)c2C1 96254125 XTWLMCCEZYTLQH-UHFFFAOYSA-N 301.438 2.419 0 40 DEAB CC(C)CN1C[C@H]2CN(S(C)(=O)=O)c3ccccc3[C@@H]2C1 96251762 CVYQJLOHKXPXSX-DZGCQCFKSA-N 308.447 2.138 0 40 DEAB CCS[C@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CC)c2)C1 96452726 SUDMIEYHFJHOAI-NEPJUHHUSA-N 317.480 2.246 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 96184812 KUNYXJANRYDVFH-CVEARBPZSA-N 308.385 2.278 0 40 DEAB COCC[C@H]1CO[C@@]2(CCN(C(=O)c3ccc(C)nc3)C2)C1 96218287 VGKULLIMIIEWFC-PBHICJAKSA-N 304.390 2.048 0 40 DEAB Cc1cc(O)nc([C@H](C)N2CCO[C@@H](c3nc(C)cs3)C2)n1 248794261 YLEUWIYKNQRDOC-NWDGAFQWSA-N 320.418 2.390 0 40 DEAB CC(C)N1CCC[C@@H]1C(=O)N1CCC(C)(c2ccn[nH]2)CC1 257205643 AZZPNVAMGBKPLH-CQSZACIVSA-N 304.438 2.163 0 40 DEAB O=C(c1cccs1)N1CCO[C@@H](CCc2ccncn2)C1 257277717 NZCNYQKDQYSHPB-ZDUSSCGKSA-N 303.387 2.012 0 40 DEAB O=C(c1ccc(-n2cccn2)nc1)N1CCCC[C@H]1c1ccn[nH]1 257293670 QQQJBNXGWGTZOL-HNNXBMFYSA-N 322.372 2.358 0 40 DEAB Cc1cnc(C2(C)CCN(C(=O)c3cnn(C)c3)CC2)s1 257222773 DUQTVNHDAUURFQ-UHFFFAOYSA-N 304.419 2.379 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 257241336 HXRUAWWOMIIYIP-CQSZACIVSA-N 316.405 2.282 0 40 DEAB COc1ccc(CCNC(=O)NCC[C@H](O)c2ccoc2)cc1 90613360 ZFHWZZXAKLCMKT-INIZCTEOSA-N 318.373 2.254 0 40 DEAB Cc1cc(C(F)(F)F)nc(NCCc2csc(O)n2)n1 390835251 HVGWAADPGNVAMQ-UHFFFAOYSA-N 304.297 2.621 0 40 DEAB C[C@@H](Cc1csc2ccccc12)NC(=O)c1cn(C)nn1 575621829 VPWUXBOPPBYBLA-JTQLQIEISA-N 300.387 2.391 0 40 DEAB COC(=O)c1cc2cccnc2n1S(=O)(=O)c1ccccc1 725325400 MHCQXKWIIYYNGB-UHFFFAOYSA-N 316.338 2.060 0 40 DEAB Cn1c(NC(=O)Cc2cn(C)c3ccccc23)nnc1C1CC1 585113385 YVMJZJDRAGOULP-UHFFFAOYSA-N 309.373 2.365 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](O)c1cccc(Cl)c1 44919203 KZHGLXKJBRRAGS-LLVKDONJSA-N 311.794 2.217 0 40 DEAB Cn1nccc1CNC(=O)NCCCn1ccc2ccccc21 45680457 DJQLFMULTBFYOL-UHFFFAOYSA-N 311.389 2.264 0 40 DEAB CC[C@@H](C)N(C)CCNC(=O)c1cc2ccccc2oc1=O 66137376 UWMXVTLZSQXQQR-GFCCVEGCSA-N 302.374 2.253 0 40 DEAB Cn1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)cn1 69676117 XFHAULMBTHPRFR-UHFFFAOYSA-N 314.370 2.283 0 40 DEAB O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCC2(CCC2)C1 97110719 LXSDJBCHHKPPBT-CQSZACIVSA-N 302.374 2.266 0 40 DEAB Cc1cc(CN[C@H]2c3ccccc3C[C@H]2O)ccc1-n1cncn1 85332988 IUDDFOSURUCYME-MOPGFXCFSA-N 320.396 2.324 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)[C@H]1CC=CCC1 75166793 CKQIKQFPEBLDBW-GJZGRUSLSA-N 304.390 2.125 0 40 DEAB COC1=C(Br)C(=O)N/C1=C(\OC)c1ccccc1 16952566 FJPAOTNNRMGABB-KHPPLWFESA-N 310.147 2.384 0 40 DEAB O=C(c1ncoc1-c1ccc(F)cc1)N1CCN2CCC[C@H]2C1 12145537 ACJLNOVQJDBYAL-AWEZNQCLSA-N 315.348 2.401 0 40 DEAB O=CN1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 13687440 ORPCFXCRISJPIQ-UHFFFAOYSA-N 324.380 2.180 0 40 DEAB CC(C)c1nnc(Cn2ccnc2[C@H](O)c2ccccc2)n1C 154806958 MJOJQECGYXOAQN-OAHLLOKOSA-N 311.389 2.265 0 40 DEAB O=C(/C=C/C(=O)NCCc1ccccc1)NCCc1ccccc1 1686393 FUKVHJYNSXXDCO-VAWYXSNFSA-N 322.408 2.260 0 40 DEAB COc1cncc(O[C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)n1 225498975 HKALDQGJBFYGAC-KBPBESRZSA-N 317.389 2.211 0 40 DEAB CC(C)C(=O)Nc1ccc(SCC(=O)NC2CCCC2)nn1 13702070 JFJHVXJAANNEPV-UHFFFAOYSA-N 322.434 2.222 0 40 DEAB CN([C@H]1CCCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 558487129 MDJDLFCZGJJPMC-ZDUSSCGKSA-N 323.414 2.005 0 40 DEAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)NC2CC2)s1 5151376 AYZJNZZDQKIBQW-JTQLQIEISA-N 309.387 2.230 0 40 DEAB COCc1nsc(N2CCC(N(C)c3ccccn3)CC2)n1 1889090354 OLLNDOHVLJNECD-UHFFFAOYSA-N 319.434 2.185 0 40 DEAB Cc1ncc(CO)c2cc(C(=O)NC3CCCCC3)c(=N)oc12 2087097721 BETGAFWXVSLORP-UHFFFAOYSA-N 315.373 2.170 0 40 DEAB COc1cc([C@@H]2CC(=O)c3cn[nH]c3C2)cc(OC)c1OC 8996968 MEJQODSXZCZVLV-VIFPVBQESA-N 302.330 2.348 0 40 DEAB Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)ccc1F 9572796 YZCFQHUVSLGGMM-UHFFFAOYSA-N 320.345 2.430 0 40 DEAB Cc1ccc(Cn2nc(C(=O)NCc3ccco3)ccc2=O)cc1 11782067 NITCQDHALGFDCN-UHFFFAOYSA-N 323.352 2.123 0 40 DEAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3csc(C)n3)C2)C1 2055837469 GOILXAQSYNMEBU-WFASDCNBSA-N 310.419 2.252 0 40 DEAB O=S(=O)(NCc1cncc(-c2ccco2)c1)c1cccnc1 575617984 GCECHBHPLHRGDE-UHFFFAOYSA-N 315.354 2.215 0 40 DEAB COc1ccccc1CCNC(=O)c1cnn(C)c1-n1cccc1 30925489 OWLWZJGVBKFMFY-UHFFFAOYSA-N 324.384 2.192 0 40 DEAB CSc1cccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)c1 2462094 KSXDTYFVTHBTRA-MNOVXSKESA-N 314.457 2.089 0 40 DEAB Cc1cnc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cn1 40461949 HBMPGADXKAVJNH-CQSZACIVSA-N 316.430 2.413 0 40 DEAB C[C@H](Oc1ccc(Br)cc1Br)C(N)=O 3515733 HJOHEEADTJWECY-YFKPBYRVSA-N 322.984 2.464 0 40 DEAB COCCn1c(SCC(=O)NCc2ccco2)nc(C)c1C 46028961 ZEGJPBMSDXTAOT-UHFFFAOYSA-N 323.418 2.148 0 40 DEAB Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2 20728254 ARCXOKOBWCIPOS-LLVKDONJSA-N 319.752 2.070 0 40 DEAB COc1ccc(C)cc1NC(=O)c1ccccc1OCC(N)=O 8328649 XQWGDJRXJUFKDQ-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB COc1ccc(CCNC(=O)c2ccc(C)nc2)cc1OC 20717509 NGEWJPHPDPJQCJ-UHFFFAOYSA-N 300.358 2.380 0 40 DEAB NC(=O)C1CCN(C(=O)c2cc3ccc(F)cc3s2)CC1 20901885 IJFQUOBZVUSWCF-UHFFFAOYSA-N 306.362 2.378 0 40 DEAB COC[C@@H](C)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 32481385 ZAIUUNDMJFICBK-LLVKDONJSA-N 321.352 2.350 0 40 DEAB CCCCOC(=O)c1ccc([C@H]2N=c3ccc(N)cc3=N2)cc1 103533927 AWGNJCCDKWVJRV-KRWDZBQOSA-N 309.369 2.177 0 40 DEAB CC(C)c1nc2n(n1)C[C@@H](NCc1nnc(C(C)C)o1)CC2 70018879 FYZMOJFKFGCLAG-NSHDSACASA-N 304.398 2.013 0 40 DEAB CC(=O)Nc1ccc(NC(=O)C(C)(C)C)c(N2CCOCC2)c1 22636614 RMSHIQSPEWFOJX-UHFFFAOYSA-N 319.405 2.466 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2nccs2)C1 172092221 WUEFHDVBGOJOLZ-LBPRGKRZSA-N 304.419 2.432 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 55449097 DKAGUDWLMJDDMO-KBMXLJTQSA-N 317.385 2.398 0 40 DEAB O=C(Nc1ccc(O)cc1)c1cc(-n2cnnn2)ccc1Cl 12321232 WHSUGGRRHAMFRM-UHFFFAOYSA-N 315.720 2.274 0 40 DEAB Cc1cccc(N2CCN(CCCCC(=O)N(C)C)CC2)c1 69378961 PMQHFARBWNYHKL-UHFFFAOYSA-N 303.450 2.376 0 40 DEAB C[C@@H](OC(=O)c1cccc(Cl)c1N)C(=O)NCc1ccco1 22988828 ZEONKANUBXLDGI-SECBINFHSA-N 322.748 2.377 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@H](C)N1CCCC1 69369677 CWXAOOTZICWSFZ-GFCCVEGCSA-N 317.389 2.386 0 40 DEAB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccsc1 23219223 PTEQYAZAGPVWLK-ZDUSSCGKSA-N 324.402 2.298 0 40 DEAB C[C@@H](NC(=O)c1ccc(O)nn1)c1ccccc1Br 23525668 JYILKTAOUFDAPI-MRVPVSSYSA-N 322.162 2.436 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)N2CCSCC2)[C@@H]1c1ccccc1 57355552 PZIYFHDFWNXHEI-ZBFHGGJFSA-N 318.442 2.172 0 40 DEAB COC1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CC1 55208544 QUDOBVTXGZSNGE-AWEZNQCLSA-N 316.401 2.215 0 40 DEAB O=C(NC1CCCCC1)c1c(O)n2c3c(cccc3c1=O)CC2 1322874 HISUANHPHNSJQT-UHFFFAOYSA-N 312.369 2.326 0 40 DEAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1ccc(Cl)c(Cl)c1 62712164 AMUWTPNREZFCJZ-UWVGGRQHSA-N 320.197 2.221 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@H](C)n1nc(C)cc1C 110676868 AJCNHTAUCWLCBP-RRFJBIMHSA-N 321.421 2.299 0 40 DEAB Cc1cc2nc(O)c(C(=O)N[C@H]3CCc4ccccc43)cn2n1 58166351 AALUMUKDJAEXIR-AWEZNQCLSA-N 308.341 2.161 0 40 DEAB C[C@H](c1cccc(F)c1)N1CCC[C@H](CNS(C)(=O)=O)C1 58404711 DQJYMJAJFNYYCM-CHWSQXEVSA-N 314.426 2.148 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1)OCC(=O)N2 48300742 TVYYHVIMJCSDHU-LLVKDONJSA-N 314.341 2.362 0 40 DEAB O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(Cl)cn1 3507666 XPUKGMMAAVYNMH-UHFFFAOYSA-N 306.705 2.236 0 40 DEAB COC(=O)C1CCN(C(=O)CCOc2cccc(C)c2)CC1 13145853 IBWGMJKAHBAGEV-UHFFFAOYSA-N 305.374 2.176 0 40 DEAB COCCN(CCO)Cc1cc(Br)ccc1F 69537758 NYXXQZOZFMEZGX-UHFFFAOYSA-N 306.175 2.029 0 40 DEAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(N)=O)cn1 63474307 BEYHFSRHDBBMKM-SECBINFHSA-N 301.371 2.002 0 40 DEAB Cn1cc([C@H]2[C@@H](C(=O)O)CCC(=O)N2Cc2ccsc2)cn1 69738543 URLKSZMOKSFRHK-JSGCOSHPSA-N 319.386 2.046 0 40 DEAB Cn1cc(CCCOC(=O)c2cccc(-n3cccn3)c2)cn1 89755649 JZVVECHWCSJVDH-UHFFFAOYSA-N 310.357 2.395 0 40 DEAB C[C@@H](OC(=O)c1cc2c(s1)-c1ccccc1OC2)C(N)=O 4495032 SXBFBDPEGGXNRU-MRVPVSSYSA-N 303.339 2.338 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1csc(C(C)C)n1)C2 65463435 WYLBJIMXQGHLAQ-LBPRGKRZSA-N 318.446 2.445 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 65489183 SRIMKKIMJHYZBM-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1nnc(C)s1 14774867 MIGCBRLVJZSYNP-UHFFFAOYSA-N 314.370 2.302 0 40 DEAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1cccnc1 5939045 MSWYHCAJAYKJQN-UHFFFAOYSA-N 312.325 2.454 0 40 DEAB CNC(=O)NC(=O)CSc1nc(-c2ccccc2)cs1 5971823 RUFSWBPLAWZVQZ-UHFFFAOYSA-N 307.400 2.358 0 40 DEAB CC(C)Cn1ccnc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 89856775 FMQIDZVZAYRUKM-AWEZNQCLSA-N 313.357 2.259 0 40 DEAB CCCCn1c(SCC(=O)Nc2ccccc2)n[nH]c1=O 7345464 VTTVUNFYRIHPBE-UHFFFAOYSA-N 306.391 2.102 0 40 DEAB NC(=O)N1CCCN(CCCSCc2ccccc2)CC1 90524956 XAVGTAGHVUDSPV-UHFFFAOYSA-N 307.463 2.396 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C[C@@H]3OC(=O)[C@@H]1[C@H]3C2 408667048 PYGRBVUEZHRERP-UFNBPRGBSA-N 301.342 2.221 0 40 DEAB CN(CC(=O)Nc1sccc1C(N)=O)Cc1ccccc1F 7911576 RTXKDYQXOADPOZ-UHFFFAOYSA-N 321.377 2.057 0 40 DEAB Cc1noc(Cl)c1CC(=O)NCC(=O)OC1CCCCC1 81436949 FXIXMKQGIQDLQA-UHFFFAOYSA-N 314.769 2.171 0 40 DEAB NCCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 19737114 MMHPLOLOUSDDIC-UHFFFAOYSA-N 320.400 2.400 0 40 DEAB in-vitro CN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccccc1 9450529 SDCSNNNDPWHRJW-UHFFFAOYSA-N 311.385 2.144 0 40 DEAB CN(C)c1cc(CNC(=O)[C@H]2CCCOC2)c2ccccc2n1 96441239 QIZZDQRQXJUOBB-ZDUSSCGKSA-N 313.401 2.344 0 40 DEAB C[S@](=O)c1nncn1Cc1csc(Cc2ccccc2)n1 71804160 URIMYQQSYDVFNC-OAQYLSRUSA-N 318.427 2.111 0 40 DEAB O=C(CCc1cccnc1)NC[C@]1(O)CCCc2ccccc21 71889217 MMDDTXDPTUFVOU-LJQANCHMSA-N 310.397 2.355 0 40 DEAB Cc1noc(C)c1NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 71882736 WUABVPXXPUWELY-LBPRGKRZSA-N 323.418 2.322 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2c(C)noc2C)c1 71865733 MWXQLQVESIHJPV-CQSZACIVSA-N 302.378 2.491 0 40 DEAB CCc1noc(CC)c1CC(=O)Nc1ccc(N(C)C)cn1 87209053 PAGLFKCRIBGLKO-UHFFFAOYSA-N 302.378 2.442 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)n1 84110632 LGJZIXRURYGHMQ-NSHDSACASA-N 319.796 2.490 0 40 DEAB Cc1noc(-c2ccccc2C(=O)O[C@@H](C)Cn2cccn2)n1 97056199 RGRAIUFYOVIOHG-NSHDSACASA-N 312.329 2.487 0 40 DEAB CCn1c(C)nnc1CN[C@@H](C)c1cn(-c2ccccc2)nn1 97112540 FOMUUDNOYISQEV-LBPRGKRZSA-N 311.393 2.038 0 40 DEAB CC(=O)N(C)c1nc(CN2CCC[C@@H]2c2noc(C)n2)cs1 72301219 XOSXSMGVBAMPNM-GFCCVEGCSA-N 321.406 2.154 0 40 DEAB CC(=O)NC[C@@H](C)OC(=O)c1c[nH]nc1-c1c(F)cccc1F 97380184 WQKMZAOXDHLSHP-MRVPVSSYSA-N 323.299 2.036 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)N[C@H]1COc2ccccc21 84581766 QXJDTNODOYVFOH-HIFRSBDPSA-N 310.353 2.423 0 40 DEAB CCC[C@H](C)c1cc(NS(=O)(=O)c2cnn(CC)c2)n[nH]1 79106582 GFQGPUFYJQPOPB-JTQLQIEISA-N 311.411 2.331 0 40 DEAB Cc1cc(C)c(NC(=O)CNc2cnccc2C(N)=O)c(C)c1 95469184 OQEZRULOYYNNSC-UHFFFAOYSA-N 312.373 2.156 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1 95455983 OFCJNJFCFZUEOV-DOMZBBRYSA-N 314.389 2.461 0 40 DEAB Cc1ccc(CN(C(=O)CN2CCO[C@H]3CCC[C@@H]32)C2CC2)o1 79354418 TXLJRCWCFMHGPB-IRXDYDNUSA-N 318.417 2.332 0 40 DEAB O=C(NNc1cccnc1Cl)c1cn(-c2ccccc2)nn1 85684451 RSIHVXQBZNVKRX-UHFFFAOYSA-N 314.736 2.073 0 40 DEAB Cc1cc(C)c2nnc(SCC(=O)NC3CCCCC3)n2n1 32604022 HYDVZBGBQYLANX-UHFFFAOYSA-N 319.434 2.282 0 40 DEAB O=Cc1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 408662187 MSXJWZFRJCIWRS-INIZCTEOSA-N 323.348 2.453 0 40 DEAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCCn1ccnc1 30865484 ZFCCWRGIMYQATQ-HNNXBMFYSA-N 305.353 2.386 0 40 DEAB CCOC(=O)c1c(N)sc2c1CCN(C(=O)CC(C)C)C2 35572284 PQJDYMLHVXQGKX-UHFFFAOYSA-N 310.419 2.438 0 40 DEAB CCN(C(=O)[C@@H](N)C(C)C)[C@H]1CCN(Cc2ccccc2)C1 79390957 MSNTYAIUUBUPOR-IRXDYDNUSA-N 303.450 2.093 0 40 DEAB O=C1OCCN1CCN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 78922791 YTIIEOUWRMOEIE-CYBMUJFWSA-N 314.389 2.195 0 40 DEAB Cc1ccccc1-c1cncc(C2CCN(C(=O)CO)CC2)n1 72359753 YFFMIFVVPNDAJX-UHFFFAOYSA-N 311.385 2.150 0 40 DEAB Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C(C)C)on1 72341118 TWHCMDPMBMEDCD-UHFFFAOYSA-N 301.394 2.315 0 40 DEAB CS(=O)(=O)c1cc(Cl)ccc1N1CCC(C(=O)O)CC1 39320698 FTKAQFIHAKLKBG-UHFFFAOYSA-N 317.794 2.045 0 40 DEAB CN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1 79391653 JBNIHBYFFMHBSP-MRXNPFEDSA-N 306.406 2.102 0 40 DEAB O=S(=O)(NCC1CCOCC1)c1ccc2c(c1)CCCC2 74861200 QWYODKDUUYYBDX-UHFFFAOYSA-N 309.431 2.270 0 40 DEAB CC(C)(C)[C@H](O)CCNC(=O)c1ccc(Cn2cccn2)cc1 72243163 IDVBGUFVKBGJCE-MRXNPFEDSA-N 315.417 2.458 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H](Oc2cnccn2)C1 225792332 UPXNVBPPYZQHGK-CQSZACIVSA-N 322.368 2.180 0 40 DEAB Cc1ccc(NC(=O)CSC[C@@H]2CN(C)CCO2)cc1F 567848969 HAIFUCKRAKOPKD-ZDUSSCGKSA-N 312.410 2.136 0 40 DEAB COc1cccc(OC)c1CNC(=O)COc1ccccc1 222950450 QGGNMGLGRDSVNB-UHFFFAOYSA-N 301.342 2.399 0 40 DEAB O=C(O)c1cnc(-c2cccc(Cl)c2)nc1N1CCOCC1 49469321 HZGRUVCFVWPJNU-UHFFFAOYSA-N 319.748 2.332 0 40 DEAB COCC1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 75156374 JKPPKABVEOXJEO-UHFFFAOYSA-N 301.383 2.014 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)N1CCC2(CC1)OCCCO2 75156665 VOTNSZPOXSWJGQ-UHFFFAOYSA-N 320.345 2.176 0 40 DEAB Cc1ccc(NC(=O)N(CCN(C)C)CC(C)C)cc1C(N)=O 85582249 XPKCPVNROLSFPI-UHFFFAOYSA-N 320.437 2.145 0 40 DEAB CCC[C@H]1C[C@@H](C(=O)NCc2nc3cccnc3[nH]2)CCO1 193180393 ZRCNBUGNAOBTSU-RYUDHWBXSA-N 302.378 2.169 0 40 DEAB CN(C)[C@@H]1CCN(Cc2cccc(F)c2)[C@H]1Cc1cnn(C)c1 96200923 LIZZNAZYSUZLCK-MSOLQXFVSA-N 316.424 2.306 0 40 DEAB Cn1cc(CN2CCC3(CC2)CN(c2ccccc2)C3=O)cn1 96202913 XVTJPYJXKMNZKP-UHFFFAOYSA-N 310.401 2.049 0 40 DEAB Cc1cc(C)c(-c2cc(NC(=O)c3[nH]nnc3C)n[nH]2)cc1C 330032207 JLTWQLPPLMXEMM-UHFFFAOYSA-N 310.361 2.681 0 40 DEAB O=C(c1ccco1)N1CCc2ncnc(-c3ccncc3)c2CC1 96255241 MAHPHSDOOFHAFB-UHFFFAOYSA-N 320.352 2.373 0 40 DEAB CN(C)CCN1CCN(Cc2ccco2)Cc2cccnc21 96198827 DKIJIDNCWOTFLP-UHFFFAOYSA-N 300.406 2.058 0 40 DEAB CC(C)S(=O)(=O)CCN1CC=C(c2ccc(O)cc2)CC1 95408321 MNSXBWICLJYGAV-UHFFFAOYSA-N 309.431 2.305 0 40 DEAB Nc1ccc2c(c1)C1(CCOCC1)C(=O)N2Cc1cccnc1 96080454 MUUMCAHLUFUFSR-UHFFFAOYSA-N 309.369 2.259 0 40 DEAB CN(Cc1ncc[nH]1)c1ccccc1S(=O)(=O)C(F)(F)F 95398670 HODPNHAMUMGIEK-UHFFFAOYSA-N 319.308 2.340 0 40 DEAB O=C(c1ccoc1)N1CCO[C@H]2[C@@H](Oc3ccccn3)CC[C@@H]21 97953763 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O=C(N[C@H](c1ccccc1)C1(CO)CC=CC1)c1cc(=O)cc[nH]1 823795584 CVCYJOJGKVEJBZ-QGZVFWFLSA-N 324.380 2.175 0 40 DEAB Cc1noc2ncc(C(=O)N(C[C@H]3CCOC3)C3CC3)cc12 61570432 WQRRCOHFFNTMDY-LLVKDONJSA-N 301.346 2.172 0 40 DEAB CN1C[C@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1=O 67090899 CJNNKKCVFMGJKH-SSDOTTSWSA-N 304.243 2.261 0 40 DEAB O=C(Cc1c(F)cccc1Cl)Nc1c[nH]nc1[C@@H]1CCNC1 1549748610 XZFRSVCRXBDRDF-SECBINFHSA-N 322.771 2.460 0 40 DEAB CCOC(=O)CCCS(=O)(=O)NCc1ccc(Cl)cc1 69601970 YPFYINKTCGNYAO-UHFFFAOYSA-N 319.810 2.103 0 40 DEAB CCn1c(SCC(C)C)nc2cc(S(N)(=O)=O)ccc21 5083914 OAAQPTLQLYTSGB-UHFFFAOYSA-N 313.448 2.452 0 40 DEAB CC(C)CN1CC(=O)N2CCC[C@H](c3ccccc3)N2C(=O)C1 5707520 FOWZGRHCVKGPGV-MRXNPFEDSA-N 315.417 2.065 0 40 DEAB O=C(NCCC[C@H]1CCOC1)c1cc(-c2ccccn2)n[nH]1 12147407 RPEHFNKXRTUHTA-LBPRGKRZSA-N 300.362 2.018 0 40 DEAB CCc1cccc2c(O)c(C(=O)NC[C@H]3CCCO3)cnc12 12498634 XTEYZUJNAZUIMP-GFCCVEGCSA-N 300.358 2.412 0 40 DEAB CC(C)(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 19082161 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2.385 0 40 DEAB COC(=O)C[C@@H](C(=O)OC)c1ccc(Br)cc1 57351447 ZLHNNMQIYVSBBL-SNVBAGLBSA-N 301.136 2.269 0 40 DEAB CCc1nnsc1C(=O)NCCOc1ccc2c(c1)CCC2 56008895 AFOLGGJASYOQFU-UHFFFAOYSA-N 317.414 2.398 0 40 DEAB C[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)[C@H]1COc2ccccc21 108132335 CEWAMPUSJVUINK-FBJIUUNASA-N 324.446 2.007 0 40 DEAB Cn1c(SCc2nnc(C3CC3)o2)nnc1-c1ccncc1 58161547 DYEMGQAQYOTWNM-UHFFFAOYSA-N 314.374 2.430 0 40 DEAB COc1ccc(CN(C)CC(=O)Nc2cc(C)no2)cc1F 44896556 VVIKRDLEEKMFLK-UHFFFAOYSA-N 307.325 2.201 0 40 DEAB Cc1cc(=O)n2nc(NCC3(N(C)C)CCCCC3)sc2n1 12812585 BXXHBCTTYXJTTB-UHFFFAOYSA-N 321.450 2.136 0 40 DEAB CSc1ncccc1C(=O)OCC(=O)NC1CCCCC1 3463825 XDYXOCNRIVJAPW-UHFFFAOYSA-N 308.403 2.409 0 40 DEAB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3nc(C)nn32)c(Cl)c1 13733018 XBSODOGOSNPYAQ-NSHDSACASA-N 319.752 2.070 0 40 DEAB CN(C)[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)c1ccccc1 70039915 FYPVKWGKDLLVKQ-SJORKVTESA-N 312.417 2.177 0 40 DEAB CC[C@@H]1CCCCN1C(=O)N[C@@H](CCSC)C(=O)OC 4301479 AUKPPWQMRAQPGL-NEPJUHHUSA-N 302.440 2.255 0 40 DEAB Cc1cc(C)n2nc(SCC(=O)N3CCCCCC3)nc2n1 4523742 DOUHZABPXWDEKW-UHFFFAOYSA-N 319.434 2.236 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCCc3ccccc32)C1 69520609 ROWARTGGLSLVOU-HOCLYGCPSA-N 315.417 2.361 0 40 DEAB CCn1nc(C)cc1C(=O)N(C)Cc1ccc(C(=O)OC)cc1 69581811 JBORIVFMYSVVIM-UHFFFAOYSA-N 315.373 2.270 0 40 DEAB O=C(C[C@@H]1C=CCC1)N1CCN(C(=O)c2cccc(O)c2)CC1 69517214 VSSYHSOJJNFKOF-CQSZACIVSA-N 314.385 2.033 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCCC[C@@H]1C1OCCO1 69520441 RZBDTUXRKLFDMP-QLFBSQMISA-N 310.438 2.003 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2cc3cc(C)ccc3[nH]2)CC1 4704299 MJSAHUGITSKHME-UHFFFAOYSA-N 315.373 2.391 0 40 DEAB O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)c1cc(Cl)ccn1 69654861 ZVNYQZSXYTUJPV-UHFFFAOYSA-N 316.704 2.331 0 40 DEAB CC(=O)Nc1ccc2c(COC(=O)[C@@H]3C[C@H]3C)cc(=O)oc2c1 6946779 BBFVQPHUXGCYDQ-YMTOWFKASA-N 315.325 2.451 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)ccn2)c1 8659808 AWZKTYYDFXSABI-UHFFFAOYSA-N 308.359 2.208 0 40 DEAB CCn1cnnc1C1CCN(C(=O)/C=C/c2ccco2)CC1 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322.455 2.383 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 76020754 VZJFMIJMZZQHAA-CYBMUJFWSA-N 321.425 2.043 0 40 DEAB CN(Cc1nc2ccccc2n1C)C(=O)Nc1nncs1 76091952 GZIZHCROIGQVQD-UHFFFAOYSA-N 302.363 2.089 0 40 DEAB Cc1cc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)on1 95479639 IHHWKOIHMKVCCU-UHFFFAOYSA-N 321.753 2.203 0 40 DEAB Cn1cc(-c2cccc(CNC(=O)[C@@H](O)c3ccccc3)c2)cn1 95448114 VJCCONKTYWYCIR-SFHVURJKSA-N 321.380 2.437 0 40 DEAB CCOc1cc(/C=C/C(=O)N2CCOC(C)(C)C2)ccc1O 95456820 SCGLKALWIJPJAL-SOFGYWHQSA-N 305.374 2.442 0 40 DEAB C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)CCO1 95455596 PQKKAIGSXGVRKJ-NMFUWQPSSA-N 317.385 2.245 0 40 DEAB CCc1ccc([C@@H](O)CN2CCN(c3ccccn3)CC2)cc1 65255237 JUAOWLOHBKXMFM-SFHVURJKSA-N 311.429 2.500 0 40 DEAB CN1CCN(S(=O)(=O)c2ccccc2F)Cc2ccccc21 78459185 LVQASVFGDDSZRD-UHFFFAOYSA-N 320.389 2.466 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H](C)Cn1cccn1 78771212 JNDQDKUJTOJAKW-WFASDCNBSA-N 315.421 2.233 0 40 DEAB O=C(Nc1ncccn1)C1CCN(CCc2ccccc2)CC1 95952953 UHDUFVZHCOTDMX-UHFFFAOYSA-N 310.401 2.370 0 40 DEAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@H]3CC=CCC3)CCO2)n1 78889119 IKTZVLDMLZNXRZ-QWHCGFSZSA-N 304.394 2.184 0 40 DEAB CC(C)NC(=O)C[C@H](C)NC(=O)N1CCC[C@@H](C(F)(F)F)C1 78947033 ZQAKPGUKUQDIQN-WDEREUQCSA-N 323.359 2.274 0 40 DEAB CCS[C@H]1CCC[C@@H]1NC(=O)COc1c(C)nn(C)c1C 89275111 PNQOYKYVDFUULC-STQMWFEESA-N 311.451 2.206 0 40 DEAB CC(=O)Nc1ccc(C(=O)NC[C@@](C)(O)c2ccc(C)o2)cc1 78941859 PKRGFDSYMQJACE-QGZVFWFLSA-N 316.357 2.184 0 40 DEAB Cc1n[nH]c2ncc(NC(=O)[C@@H](C)OC[C@@H]3CCCCO3)cc12 174385135 ZULBJZOKKRGALJ-YPMHNXCESA-N 318.377 2.179 0 40 DEAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@@](O)(c2ccc(C)cc2)C1 408562811 DAIVQIFFQITYML-HKUYNNGSSA-N 324.380 2.482 0 40 DEAB Cc1sc(-n2cccc2)nc1C(=O)NCCn1cccc1 524735120 WNTJHKGYHPJJGL-UHFFFAOYSA-N 300.387 2.474 0 40 DEAB COCc1nc(C)cc(NCc2cccc(Cn3cncn3)c2)n1 75046810 UUSSDBSQUCILQM-UHFFFAOYSA-N 324.388 2.183 0 40 DEAB Cc1ccc2c(cnn2CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 40758705 QNECOVQOWZLZPD-ZIAGYGMSSA-N 301.390 2.371 0 40 DEAB CCNC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(N)c1 225441054 RDUCSXNVDFYUGR-UHFFFAOYSA-N 324.428 2.345 0 40 DEAB CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)C(C)C 222983344 TWYKUWGUZHFWRC-ZDUSSCGKSA-N 306.406 2.204 0 40 DEAB CSC[C@](C)(O)CNC(=O)c1ccc(Br)cc1 75157263 MOWPNXXNNMRMTL-GFCCVEGCSA-N 318.236 2.293 0 40 DEAB CS[C@H]1CCC[C@H]1N(C)S(=O)(=O)c1c[nH]c(C(C)C)n1 80767014 MATHNSAHKSUMOM-MNOVXSKESA-N 317.480 2.438 0 40 DEAB CCOC1CN(C(=O)Nc2cnc3c(cnn3C(C)C)c2)C1 575326604 UKLJLHLYXBPQPB-UHFFFAOYSA-N 303.366 2.265 0 40 DEAB O=C(NCC1CC1)c1nnn(-c2ccccc2)c1-n1cccc1 225584847 SXSZOMBZFUHOBP-UHFFFAOYSA-N 307.357 2.198 0 40 DEAB Cc1cc(O)nc([C@H](C)N2CCC[C@H](Cc3nccn3C)C2)n1 192711674 TYQXQHYUTYIBQH-UONOGXRCSA-N 315.421 2.240 0 40 DEAB Cc1ccc(CN2CCC3(CC2)C[C@@H](NC(=O)C(C)C)CO3)o1 96220620 WEOLARVUKLCIJM-OAHLLOKOSA-N 320.433 2.484 0 40 DEAB CC(C)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 96251887 FVRRYZJZLFNMDK-IAGOWNOFSA-N 322.474 2.072 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)[C@H](c2ccccc2)CO1 96433389 ASQIZKXYMCLMNW-DYVFJYSZSA-N 324.380 2.388 0 40 DEAB CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc(F)cc1 96519668 NGAJORZBXIXMRO-SECBINFHSA-N 301.166 2.425 0 40 DEAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)CCn1ccnn1 332090547 AYRWPFSMLOCHQZ-NEPJUHHUSA-N 302.353 2.342 0 40 DEAB O=C(CNC(=O)c1ccc2n[nH]cc2c1)Nc1cccc(F)c1 530836692 NRCJMMNOZIJRIM-UHFFFAOYSA-N 312.304 2.071 0 40 DEAB Cn1cc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)cn1 96199583 WZJIIUIIQJFROD-KRWDZBQOSA-N 324.428 2.058 0 40 DEAB COc1ccc(C(=O)[C@](C)(Br)S(C)(=O)=O)cc1 96518617 IJJFIIGGCUJTQF-LLVKDONJSA-N 321.192 2.034 0 40 DEAB C[C@H]1c2nc(C(=O)NC3CC3)cn2CCN1Cc1ccsc1 253591104 JPVSMOGKNYBMAA-NSHDSACASA-N 316.430 2.414 0 40 DEAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCCNCC1 257198007 PXNCJHZCEJRQAF-JTQLQIEISA-N 301.312 2.281 0 40 DEAB CN(C)c1cccc([C@H]2CN(Cc3ncccc3F)CCO2)n1 257223566 DXYJFWYRRUBHNP-MRXNPFEDSA-N 316.380 2.255 0 40 DEAB COc1ccc(C)cc1CC(=O)N1C[C@H]2C[C@H](OC)C[C@H]2C1 257201161 AGOCKONCWGBICF-ZSHCYNCHSA-N 303.402 2.430 0 40 DEAB CN(C)CCCC(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257205489 AZHLIXIYWSTTET-HYVNUMGLSA-N 317.433 2.039 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cnc3ccccc3c2)n1 257271003 MWLNXERLHJDRBM-INIZCTEOSA-N 322.368 2.480 0 40 DEAB Oc1cc(C[C@H]2COCCN(CC3CCCCC3)C2)ncn1 257300618 RVCAWCRJKCLSBH-OAHLLOKOSA-N 305.422 2.253 0 40 DEAB C/C=C(\C)C(=O)NCc1ccccc1CN1CCC[C@H]1CO 274560963 WHKJAXQTZCHUJU-ZTWVHDNBSA-N 302.418 2.226 0 40 DEAB Cc1cc(OC2CCN(C(=O)c3ccccn3)CC2)nc(C)n1 575413827 TVWKFLKPAOCUNS-UHFFFAOYSA-N 312.373 2.172 0 40 DEAB c1ccc(CN2Cc3ccnn3[C@H](CCN3CCCC3)C2)nc1 585112761 VXZVOGVJERFFOG-GOSISDBHSA-N 311.433 2.321 0 40 DEAB CO[C@@H]1CN(CC2(O)CCOCC2)CC[C@@H]1Cc1ccccc1 585279787 OZAPLNGUGVNIPI-QZTJIDSGSA-N 319.445 2.108 0 40 DEAB Cn1nccc1CN[C@H]1CC[C@H](Oc2ccc(Cl)cc2)[C@@H]1O 585284509 LODKKACNJSPVMU-HRCADAONSA-N 321.808 2.134 0 40 DEAB CCN1CCC(NC(=O)CN2CCC[C@@H]2C2CCCC2)CC1 56308840 XRPBBPQYNJATQN-QGZVFWFLSA-N 307.482 2.242 0 40 DEAB c1cc2c(cc1CNCc1cnc(N3CCCC3)nc1)OCO2 48681142 LMLFZGOXXDLFAF-UHFFFAOYSA-N 312.373 2.095 0 40 DEAB O=C(COC(=O)C1(O)CCCC1)N[C@H](c1ccccc1)C1CC1 61248902 TVQSYBOWESBQFU-MRXNPFEDSA-N 317.385 2.102 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 75582352 KJWHORWUJLBRQG-SMDDNHRTSA-N 315.421 2.270 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c(OC(F)F)c1 13960247 YGPJYSBLOZEZIL-LFSVMHDDSA-N 323.295 2.263 0 40 DEAB Cc1cnn(CC(=O)N2CCCC[C@@H]2CN2CCCCCC2)c1 19239914 CHXJKEJFCXKNCV-QGZVFWFLSA-N 318.465 2.449 0 40 DEAB O=C(c1ccn(C(F)F)n1)N1CCC(Oc2cccnc2)CC1 19339835 FWZHIYXDYFEIPQ-UHFFFAOYSA-N 322.315 2.357 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)[C@H]1CCOC1 1888900967 PBTIDBQVFRZLBJ-WDEREUQCSA-N 307.371 2.194 0 40 DEAB Cc1cnc(N(C)[C@H]2CCCN(C[C@H]3CCCCO3)C2)nc1 2086850139 HBUYBJSTSKNENI-JKSUJKDBSA-N 304.438 2.255 0 40 DEAB Cn1cc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)nn1 585150141 CBPFHGXBLMQNIV-UHFFFAOYSA-N 322.372 2.267 0 40 DEAB Cc1cc(C(=O)NC[C@@H](O)c2ccc3c(c2)OCCO3)c(C)o1 240104279 UOHLUDZTPYCJFK-CQSZACIVSA-N 317.341 2.131 0 40 DEAB CCN[C@H](CC(=O)Nc1cccc(Cl)c1Cl)C(=O)O 5258252 YGRCWTQXHXKNBR-SECBINFHSA-N 305.161 2.385 0 40 DEAB Cc1cc(NC(=O)CN2CCCN(C)c3ccc(F)cc32)no1 96419596 NGEXJOOJINTKRV-UHFFFAOYSA-N 318.352 2.407 0 40 DEAB Cc1cc(C(=O)N2CCN(c3nccc4occc34)CC2)on1 91454505 MOYNYZQBHMVXEX-UHFFFAOYSA-N 312.329 2.087 0 40 DEAB Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 256123 MAOOMMDYWATBES-UHFFFAOYSA-N 322.361 2.051 0 40 DEAB Cc1nc(CCNC(=O)[C@H]2CC(=O)Nc3ccccc32)cs1 40489830 KEXWYCPGQZATDE-ZDUSSCGKSA-N 315.398 2.236 0 40 DEAB Cc1ccc(N2C[C@H](C(=O)NCCc3ccccn3)CC2=O)cc1 28875875 COSNUYGOAYEWNH-OAHLLOKOSA-N 323.396 2.102 0 40 DEAB Cc1nc(COc2ccccc2C(=O)NC[C@H]2C[C@@H]2C)no1 40523805 AIYUMFRQIAHJIN-CMPLNLGQSA-N 301.346 2.343 0 40 DEAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H](C(=O)NCc1cccnc1)[C@H]2C(=O)O 4181542 WYAPBKMAHCVPIV-XNISGKROSA-N 312.369 2.167 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nncn1C 6063384 KXTZZQMVVCOILU-WDEREUQCSA-N 302.403 2.274 0 40 DEAB CCCCN1C(=O)[C@@]2(CC(=O)Nc3[nH]ncc32)c2ccccc21 20731266 WOMVCKXAIKCIJP-KRWDZBQOSA-N 310.357 2.185 0 40 DEAB CSCC[C@H](NC(=O)c1ccccc1)C(=O)N1CCCC1 21003861 XBBXLUSKGPJCNT-AWEZNQCLSA-N 306.431 2.161 0 40 DEAB COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@H]1N2Cc1ccc(F)cc1 100186249 GINHXZURABBCQZ-CKEIUWERSA-N 305.349 2.311 0 40 DEAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)o1 42058137 ARLPAYQYYKAWFK-GXFFZTMASA-N 313.357 2.291 0 40 DEAB CCOc1ccccc1CNC(=O)N1CCC[C@H](N(C)C)C1 75128147 ZZMOHEHBHAEEPV-HNNXBMFYSA-N 305.422 2.321 0 40 DEAB CC(=O)NCCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 75126276 MMNRXUKXSLVMTR-UHFFFAOYSA-N 301.390 2.236 0 40 DEAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cccc[n+]1[O-] 47295567 RVFXSQATPMCFPG-UHFFFAOYSA-N 317.433 2.239 0 40 DEAB Fc1ccc(Nc2nc3nonc3nc2N2CCCC2)cc1 34138560 LVCIOVPEVOIEIU-UHFFFAOYSA-N 300.297 2.496 0 40 DEAB COc1ccccc1CN(C)S(=O)(=O)c1c(C)noc1C 25653121 RRVGGVDVPRSQIT-UHFFFAOYSA-N 310.375 2.121 0 40 DEAB Cc1cc(C(=O)COC(=O)c2ccccc2NCCO)c(C)[nH]1 23390227 XTVTTYCZCAVMNL-UHFFFAOYSA-N 316.357 2.075 0 40 DEAB NC(=O)NC(=O)CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 25458907 JAQBAKZRLQANFP-QGZVFWFLSA-N 323.396 2.219 0 40 DEAB NC(=O)COc1c(Br)cccc1Br 43639399 UOTYKJRXIZNRIZ-UHFFFAOYSA-N 308.957 2.076 0 40 DEAB CCOC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 12568312 CMPKZHVWBAKWFX-UHFFFAOYSA-N 301.346 2.190 0 40 DEAB CN(C[C@@H]1CCCOC1)C(=O)/C=C/c1ccc2c(c1)OCO2 107650937 HCFVBRYIMSHYPA-DYLGSBMWSA-N 303.358 2.314 0 40 DEAB O=C(CNC(=O)c1cccc(Cl)c1)Nc1ccccc1O 57026296 OFQQOYKELJZAOZ-UHFFFAOYSA-N 304.733 2.414 0 40 DEAB O=C1CS(=O)(=O)N(Cc2ccc(F)cc2)c2ccccc21 57352139 JDBJSXHXTAFSSU-UHFFFAOYSA-N 305.330 2.358 0 40 DEAB CC1([C@H]2CCCN(C[C@@H](O)c3ccccc3F)C2)OCCO1 108497265 BSXVUZBTKWPDCA-XJKSGUPXSA-N 309.381 2.334 0 40 DEAB CCOCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1 2191238 VPXAHKYDGPXFBJ-UHFFFAOYSA-N 320.374 2.285 0 40 DEAB CN(C)C(=O)[C@@H](c1ccccc1)N1CCC(c2ccn[nH]2)CC1 58250813 ANIGHRGJFVSOIG-QGZVFWFLSA-N 312.417 2.419 0 40 DEAB O=C(NCCNc1cc(=O)oc2ccccc12)c1cccnc1 10313694 FGNIZWSCSSZADV-UHFFFAOYSA-N 309.325 2.030 0 40 DEAB CCOC(=O)N[C@H](CNC(=O)CCc1cccnc1)CC(C)C 36397201 CNRAWAJNALTHFF-HNNXBMFYSA-N 321.421 2.291 0 40 DEAB CN(Cc1ccsc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 48235977 ZCNLROMMPJTBPJ-CQSZACIVSA-N 301.367 2.488 0 40 DEAB COc1ccc(OCCNC(=O)c2cc(C(C)=O)cn2C)cc1 12810334 PJJNUNWPMLZMPD-UHFFFAOYSA-N 316.357 2.045 0 40 DEAB CCOC(=O)c1ccc(NC(=O)NCCCN2CCCC2)cc1 12865933 LIASCJRVQJSEFM-UHFFFAOYSA-N 319.405 2.471 0 40 DEAB CCc1cccc(NC(=O)CN2CCC(C(=O)OC)CC2)c1 7637016 ZMFZFXMJQZBRAT-UHFFFAOYSA-N 304.390 2.073 0 40 DEAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c(C)c1 6081098 DCNDCWLSGDLLHL-LLVKDONJSA-N 318.402 2.165 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4285112 LSHCUSUSIWHWEY-GOSISDBHSA-N 314.385 2.385 0 40 DEAB NC(=O)[C@H](c1ccccc1)N1CCC(CN2CCCC2)CC1 69491384 WGVVZHBIPNZFBA-KRWDZBQOSA-N 301.434 2.021 0 40 DEAB O=C(C[C@H]1Sc2ncnn2C1=O)Nc1ccc(Cl)cc1 4304715 OEXSWCFRUVZCEN-SECBINFHSA-N 308.750 2.075 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nc(-c3cccnc3)no2)c1 69453359 XOXQQIWZXFVZAV-OLZOCXBDSA-N 312.377 2.376 0 40 DEAB CCn1cc(NC(=O)C2CCN(Cc3cccnc3)CC2)cn1 69460529 BPFNPCMPPLOXLX-UHFFFAOYSA-N 313.405 2.149 0 40 DEAB CN(Cc1ccc(Cl)s1)Cn1nc2ccccn2c1=O 14138124 OJBRNAQSIQLKAR-UHFFFAOYSA-N 308.794 2.300 0 40 DEAB CCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC 20448836 STEIBVYGVZJAQZ-LBPRGKRZSA-N 324.446 2.317 0 40 DEAB Cc1ccn2cc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)nc2c1 14267284 MIGVSSDMGDKRMW-UHFFFAOYSA-N 307.313 2.065 0 40 DEAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1cnccn1 14247069 VPIKDGGISBUMOB-UHFFFAOYSA-N 324.262 2.021 0 40 DEAB CCCN1CCC(NS(=O)(=O)c2ccc(C)c(C)c2)CC1 14252395 VPLZZAGNAFUNJZ-UHFFFAOYSA-N 310.463 2.456 0 40 DEAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cnnn2)cc1 7071433 OJHHKYQKOYQZLB-INIZCTEOSA-N 307.357 2.404 0 40 DEAB Cc1nc(CN(C)CC(=O)N2CCCCC2)nc2ccccc12 69592148 BSKSMMAWZFRHRF-UHFFFAOYSA-N 312.417 2.383 0 40 DEAB CC(C)NC(=O)CNC(=O)Cc1csc(-c2cccs2)n1 9613614 VJCYPSYCAWVQAC-UHFFFAOYSA-N 323.443 2.055 0 40 DEAB CO[C@H](C)c1cccc(NC(=O)C(=O)NC2CCSCC2)c1 69896004 TXWWUZLPCRZRLF-LLVKDONJSA-N 322.430 2.344 0 40 DEAB Cn1nccc1C(=O)N1CCOc2ccc(C(F)(F)F)cc21 89741102 ICJXCPFITDGGRM-UHFFFAOYSA-N 311.263 2.478 0 40 DEAB COc1ccc(-c2nc(C(=O)O[C@@H]3CCOC3=O)cs2)cc1 19175820 LWCRVZOOPQNTDD-GFCCVEGCSA-N 319.338 2.291 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN1c1ccnc(C2CCCC2)n1 96011511 SLVXGQICSISGEE-CQSZACIVSA-N 300.406 2.382 0 40 DEAB O=C(c1ccccc1Cl)N1CCN([C@H]2CCC[C@H]2O)CC1 72235828 MHRNGESLAWLLOA-LSDHHAIUSA-N 308.809 2.011 0 40 DEAB O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NC1CCCC1 72271673 AIBWUGUCJXVTGN-QFIPXVFZSA-N 323.414 2.014 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2ccnc(N(C)C)c2)no1 72299158 ZKELIHBAYITPCL-GFCCVEGCSA-N 315.377 2.070 0 40 DEAB CC[C@@H](C)N(CC(=O)O)Cc1nc(Cc2ccccc2)no1 89942272 XYSPGFGWBHYJPE-GFCCVEGCSA-N 303.362 2.346 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)CN2CCCC2=O)s1 96415549 XETWEFIJABMMCZ-RYUDHWBXSA-N 323.462 2.298 0 40 DEAB O=C(NCCCOCC1CCOCC1)N1C[C@H]2CC=CC[C@H]2C1 96440731 MUKSQMSRLYRSCK-CALCHBBNSA-N 322.449 2.427 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3sccc3c2=O)[C@@H]1C 9513272 DWNXQWAGURSLLQ-NQBHXWOUSA-N 319.430 2.399 0 40 DEAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCO[C@@H]3CCC[C@@H]31)C2 71846780 LWOAOWYJLWCCGN-VNQPRFMTSA-N 317.385 2.026 0 40 DEAB CC1(C)NC(=O)N(CCN(Cc2ccsc2)C2CC2)C1=O 71836942 GUXITVOXHJAUKF-UHFFFAOYSA-N 307.419 2.043 0 40 DEAB CCc1nc(CN2CCC[C@@H](NCc3cnc(C)s3)C2)no1 71882272 KWJQRYVAVFIHKM-GFCCVEGCSA-N 321.450 2.151 0 40 DEAB Cn1cc([C@@](C)(O)CN[C@@H]2CCCc3cc(F)ccc32)cn1 97033361 VHVUXDXJKBVCRA-SJORKVTESA-N 303.381 2.434 0 40 DEAB O=C(Nc1ccncc1F)N[C@H]1CCN(c2ccccn2)C1 97135827 ZBXQMBWTYJGXMP-NSHDSACASA-N 301.325 2.016 0 40 DEAB CC(C)c1cc(C(=O)N2CCOC[C@@H]2c2cccn2C)n[nH]1 97144004 BPLGWRBHKMEAAX-OAHLLOKOSA-N 302.378 2.085 0 40 DEAB CCCn1nc2c(cc1=O)CN(Cc1nc3ccccc3o1)CC2 72302278 YQQTXLLVLCEIFF-UHFFFAOYSA-N 324.384 2.353 0 40 DEAB COc1cc(/C=C/C(=O)Nc2c[nH]c(=O)cc2C)cc(OC)c1 72312109 ZABZYTROXPFGQT-SNAWJCMRSA-N 314.341 2.352 0 40 DEAB O=C(/C=C/c1ccc(Cl)cc1)NC1CCS(=O)(=O)CC1 76093443 UYGBPYCGRNTKSN-ZZXKWVIFSA-N 313.806 2.047 0 40 DEAB C[C@@H]1CC(C)(C)c2ccccc2N1CC(=O)N1CCOCC1 95468479 UHWSTILLFQASME-CQSZACIVSA-N 302.418 2.422 0 40 DEAB CCn1nc(C)c(C(=O)NC[C@H](C(=O)O)c2ccccc2)c1C 95425548 NKPHZIMDQUFSIR-AWEZNQCLSA-N 315.373 2.118 0 40 DEAB O=C([C@@H](O)c1ccccc1)N1CCC(Nc2cccnc2)CC1 73291998 AQSHUSNADBQFCQ-KRWDZBQOSA-N 311.385 2.218 0 40 DEAB CN(C(=O)c1ccc2[nH]ccc2c1)[C@@H]1CCC[C@@H]1S(C)(=O)=O 85295020 DKTRSAXTIQHKMJ-CABCVRRESA-N 320.414 2.206 0 40 DEAB CCCCn1nccc1NC(=O)C(=O)N1C[C@@H]2CC=CC[C@H]2C1 95972325 JHLQLTDNAREJQC-KBPBESRZSA-N 316.405 2.046 0 40 DEAB C[C@H](OC(=O)c1sccc1-n1cnnn1)c1nccs1 78975987 CFNKELNYSKAFFF-ZETCQYMHSA-N 307.360 2.098 0 40 DEAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)C)n2C)cc1 9964065 HMDAMVSTEKBARG-LLVKDONJSA-N 304.419 2.359 0 40 DEAB O=C(NCCCn1ccnc1)Nc1ccc2oc(=O)ccc2c1 65752199 ACRKRWAVEWNSID-UHFFFAOYSA-N 312.329 2.201 0 40 DEAB Cc1nn(CC(=O)NC2CCCC2)c(C)c1Br 28575456 PIBUXGXDDAQMEB-UHFFFAOYSA-N 300.200 2.321 0 40 DEAB CCOc1cc(C=O)ccc1OCC(=O)Nc1nccs1 408599912 OFNUIXWWDSMCQV-UHFFFAOYSA-N 306.343 2.372 0 40 DEAB CNc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)O 217712655 KBURZGLNLPDXCS-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB Cc1onc(C(=O)NCC(C)(C)N2CCCCC2)c1CN(C)C 36748788 CWUVVAUPVBEEFK-UHFFFAOYSA-N 322.453 2.039 0 40 DEAB COc1cc(-c2nc(-c3cnn(C)c3)no2)cc(OC)c1OC 78774287 UNQMCDIAMXODBL-UHFFFAOYSA-N 316.317 2.163 0 40 DEAB COC[C@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 39977595 DCASNCIMQFLGDH-IINYFYTJSA-N 312.797 2.058 0 40 DEAB COC(=O)[C@H](c1ccccc1F)N1CC[C@H](N2CCCC2)C1 72601177 QYLZGMZFXOTLLI-BBRMVZONSA-N 306.381 2.210 0 40 DEAB O=C(NC/C=C/c1ccccc1)NCCC(=O)N1CCCC1 79035989 ZBBIUZPMLQOQRP-RMKNXTFCSA-N 301.390 2.012 0 40 DEAB CC(=O)N1CC(c2cc(Nc3ncc(C)s3)nc(C)n2)C1 72382676 OVTKNSUMNJRLRR-UHFFFAOYSA-N 303.391 2.239 0 40 DEAB Cc1nc(-c2cccc(Br)c2)[nH]c(=O)c1CC(=O)O 41084623 LRODZEDKXQWSHX-UHFFFAOYSA-N 323.146 2.135 0 40 DEAB C[C@@H]1CN(c2cncc(N3CCS[C@H](C)C3)n2)CCS1 225540117 QGKNPOUTECEXNT-VXGBXAGGSA-N 310.492 2.360 0 40 DEAB Cc1cc(F)c(Br)cc1NC(=O)[C@H]1COCCO1 191175888 DRJVJTDFELMEDD-LLVKDONJSA-N 318.142 2.251 0 40 DEAB Cc1cc(C(=O)NC2(CF)CCOCC2)nn1[C@@H](C)C1CC1 575997822 BHOOOQSCTBWCBT-LBPRGKRZSA-N 309.385 2.411 0 40 DEAB Cc1ccccc1-c1cc(N[C@H]2CCO[C@@H]2C)n(CCO)n1 97231982 JMVVMHJXSRBVOK-HIFRSBDPSA-N 301.390 2.440 0 40 DEAB Cc1ccc2c(c1)nc1n2[C@@H](CNC2CCOCC2)COC1 96112811 XFHZCOKVJKLGPB-AWEZNQCLSA-N 301.390 2.185 0 40 DEAB biogenic,in-vitro Cc1nc2c(c(NC(C)C)n1)CCN(C1CCOCC1)CC2 96254627 MSKURDLYDCTMDS-UHFFFAOYSA-N 304.438 2.185 0 40 DEAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)NCC[S@@](C)=O 96408824 MHWMUADDONGWCW-XMHCIUCPSA-N 318.442 2.449 0 40 DEAB Cc1cc(CNC(=O)N2CCOC[C@@H]2c2nc(C)cs2)on1 97102790 NQBVVVGHUHNDNF-GFCCVEGCSA-N 322.390 2.031 0 40 DEAB COC[C@@H]1CN(CC2CCOCC2)Cc2ncn(CC3CC3)c21 96060292 NPUOSHOFTLGPJG-INIZCTEOSA-N 319.449 2.265 0 40 DEAB O=C(N[C@@H]1CCCc2occc21)[C@@H]1CCCN1C(=O)C1CC1 96405395 GIJIVTMIYRXMNQ-KGLIPLIRSA-N 302.374 2.174 0 40 DEAB CC(C)NC(=O)[C@@H]1CN(Cc2ccsc2)Cc2ccnn2C1 96188761 VPBHZQRHHCYFDN-CQSZACIVSA-N 318.446 2.101 0 40 DEAB COC(=O)NCCC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 96413830 NNHSWHCMXVLMOE-CABCVRRESA-N 304.390 2.260 0 40 DEAB COc1ccnc2c(NC(=O)N3CCCN(C)CC3)cccc12 96499976 MAIXCNFDJKVTFT-UHFFFAOYSA-N 314.389 2.413 0 40 DEAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3cccnc3)O2)n1 96057358 XJBHFEHBKRVRIT-KFWWJZLASA-N 300.362 2.268 0 40 DEAB Cn1cccc1C(=O)NCc1cncc2c1CCN(CC1CC1)C2 96189502 JNRNMMQQDMFJCO-UHFFFAOYSA-N 324.428 2.118 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2c2ncc(F)cn2)N1c1ccsc1 96184124 HXPGQIRQWFVZDS-NWDGAFQWSA-N 304.350 2.061 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@@H](c2ccncc2)C1 257203908 ASDRFMZUKLBYSA-MRXNPFEDSA-N 312.325 2.024 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 257233493 GPNJWKYHKCWURZ-CYBMUJFWSA-N 300.362 2.410 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H](c3ccnc(C)n3)C2)cn1 257294376 QTVJYRUHDZKWJW-AWEZNQCLSA-N 312.373 2.208 0 40 DEAB Cc1cc([C@@H]2CCCCN2C(=O)c2c[nH]cn2)nc2ccnn12 257342262 ZNVARNYWRQJXCZ-AWEZNQCLSA-N 310.361 2.128 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3cncnc3)CC2)cn1 257216016 CSSDXUNMIJDLER-AWEZNQCLSA-N 312.421 2.153 0 40 DEAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cccc2ccoc12 457350467 RTGDNOWEUIGOBM-JTQLQIEISA-N 311.359 2.307 0 40 DEAB NC(=O)CC[C@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 585278238 OFVQAJKUCHHNDD-OAHLLOKOSA-N 314.788 2.072 0 40 DEAB Cc1cc(C(=O)NCCN2c3ccccc3CC[C@H]2C)n(C)n1 65433897 UTHJFLSHRYIVKO-CQSZACIVSA-N 312.417 2.300 0 40 DEAB C[C@H](OC(=O)[C@@]1(C)CCCO1)c1ccc(-n2cncn2)cc1 95450012 WOXLCCBFLIHCEN-BLLLJJGKSA-N 301.346 2.441 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)NCCc1cscn1 71896339 LMEDGXOLVGEOQN-UHFFFAOYSA-N 318.398 2.256 0 40 DEAB CC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccc(F)cc1 11025556 WLCZBTQXUNFIRA-NSHDSACASA-N 301.325 2.137 0 40 DEAB COCCNC(=O)c1cc(-c2cccnc2)c2cnccc2n1 19593522 WXNQRVOOFMLWHV-UHFFFAOYSA-N 308.341 2.068 0 40 DEAB O=C(Nc1cccc([C@H]2CCc3nncn3C2)c1)c1cnccn1 19699152 WZMFTXAICFTMHM-ZDUSSCGKSA-N 320.356 2.050 0 40 DEAB O=C(NC[C@@]1(O)CCCc2occc21)c1noc2c1CCCC2 1888843058 OFPINOPVLHSYQT-KRWDZBQOSA-N 316.357 2.100 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2F)cc1 31311051 HGDCWCAKFCFCSR-INIZCTEOSA-N 320.339 2.494 0 40 DEAB Cc1cc(CN2CCN(Cc3ccncc3F)[C@@H](C)C2)no1 2086894068 OWOADWSUNVGJHL-LBPRGKRZSA-N 304.369 2.223 0 40 DEAB CC(C)C(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 1565542403 YWKOTZBGWMVDRJ-INIZCTEOSA-N 313.401 2.317 0 40 DEAB COc1ccc(N(C(=O)CC(C)C)[C@H]2C=CS(=O)(=O)C2)cc1 4165499 IWOCLIZZOLCRQY-AWEZNQCLSA-N 323.414 2.385 0 40 DEAB Cc1ccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3C)c(O)nc2c1 16689964 BJGGPNNGHSJMMY-VXGBXAGGSA-N 315.373 2.017 0 40 DEAB CO[C@H](CCSC)CNC(=O)Nc1ccc2c(c1)OCO2 1775966978 ACLXRPUPVJESNG-LLVKDONJSA-N 312.391 2.305 0 40 DEAB CC(=O)Nc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 15655813 AMXGVSNNFIBRPX-UHFFFAOYSA-N 324.384 2.002 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N(CCO)Cc1ccccc1 29466 NUGNFGUSMSHGMP-UHFFFAOYSA-N 309.362 2.009 0 40 DEAB C[C@]1(c2ccco2)NC(=O)N(CCOc2ccccc2F)C1=O 30343038 OINZUNHEWPKPCQ-MRXNPFEDSA-N 318.304 2.265 0 40 DEAB COC(=O)c1ccccc1N1C(=O)C(Cl)=C(Cl)C1=O 145745 UMGALSYICNNFQG-UHFFFAOYSA-N 300.097 2.036 0 40 DEAB COc1ccc(CN(C)[C@@H](C(N)=O)c2ccccc2)cc1F 40481515 JEGQBTFWGBMNSR-MRXNPFEDSA-N 302.349 2.493 0 40 DEAB COc1cc(C(=O)OCCN2CCCCC2)cc(OC)c1OC 359264 ZJXGIQFNKWWYQP-UHFFFAOYSA-N 323.389 2.355 0 40 DEAB O=C(NCCN1CCc2ccccc2C1)c1n[nH]c2ccccc12 31339232 COSBFJMTHRMLNX-UHFFFAOYSA-N 320.396 2.351 0 40 DEAB CC(CO)(CO)NC(=S)Nc1ccc(Cl)c(Cl)c1 3131747 SOYMSVZGGYMBDL-UHFFFAOYSA-N 309.218 2.023 0 40 DEAB O=S(=O)(NCc1ccc(F)cc1)c1cccc2nsnc12 215219 LENMOENIEARJHA-UHFFFAOYSA-N 323.374 2.309 0 40 DEAB O=C1CC[C@H](C(=O)OCc2csc(-c3ccccc3)n2)N1 11699290 PLVIBMKLOKUGQO-GFCCVEGCSA-N 302.355 2.132 0 40 DEAB Cc1nc(C)c(C(=O)N2CCN(C(=O)C3CCCC3)CC2)s1 29327725 KFLZXSKXEQMVLD-UHFFFAOYSA-N 321.446 2.235 0 40 DEAB O=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2 100621554 QQLOJIMQTXJLTF-SJJUBHFPSA-N 304.434 2.091 0 40 DEAB Cc1ccc(Cn2nc(C)c(C(=O)N3CCOCC3)c2C)cc1 20894811 MVUONYRDPYBBJE-UHFFFAOYSA-N 313.401 2.329 0 40 DEAB CN(Cc1ccco1)C(=O)CCCNC(=O)c1ccccc1 32522944 MQVUCINVDOTGQR-UHFFFAOYSA-N 300.358 2.448 0 40 DEAB CCN1CCCC2(CCN(C(=O)c3ccncc3F)CC2)C1=O 108531475 JXUXHXXKVVDGGA-UHFFFAOYSA-N 319.380 2.085 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc3ccc(=O)oc3c2)no1 9690334 DYOCIRXDQBEFSE-SNVBAGLBSA-N 314.297 2.495 0 40 DEAB O=C(NCc1ccc(Cl)cc1)C(=O)NCc1cccs1 9908709 SPPBCOSIBQVSKJ-UHFFFAOYSA-N 308.790 2.334 0 40 DEAB CC1(C)C(=O)N(CCC(=O)NCc2cccnc2)c2ccccc21 57355666 HHYGNVQIUJBVID-UHFFFAOYSA-N 323.396 2.412 0 40 DEAB COCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 22845233 JKUJTLCFAQGFOT-UHFFFAOYSA-N 305.359 2.353 0 40 DEAB NC(=O)CNC(=O)c1ccccc1SCc1ccccc1 59483617 XIVMJSXFCZCPAX-UHFFFAOYSA-N 300.383 2.194 0 40 DEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)NC2CCCC2)no1 8081443 YVGFUHZZWXXARW-JTQLQIEISA-N 311.407 2.102 0 40 DEAB Cc1ccc(/C=C/c2nn(CN3CCOCC3)c(=S)[nH]2)o1 22756756 ZJAHPTHEXJPSMT-SNAWJCMRSA-N 306.391 2.302 0 40 DEAB O=C(Nc1ccccc1F)[C@H]1CC(=O)N(Cc2ccccn2)C1 47667192 DEIIFOAYTWGGNZ-LBPRGKRZSA-N 313.332 2.208 0 40 DEAB CN(C)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 12543674 CHGMXKXDYMXQMP-UHFFFAOYSA-N 322.372 2.045 0 40 DEAB O=C(COc1ccc2ccccc2c1)NCc1nncn1C1CC1 75134010 GGNPJRJLLUVZQK-UHFFFAOYSA-N 322.368 2.461 0 40 DEAB CCOc1ccc(CNC(=O)N2CCC[C@@H](CO)C2)cc1F 75133493 JLALBSSZVDVXSS-CYBMUJFWSA-N 310.369 2.138 0 40 DEAB CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1 57355468 BBNDXOHKXOPFEZ-WBVHZDCISA-N 318.417 2.139 0 40 DEAB Cc1ccc(C(=O)NC(C(=O)N(C)C)=C(Cl)Cl)cc1 3135534 YVHOGFXKRGDSOR-UHFFFAOYSA-N 301.173 2.460 0 40 DEAB CNC(=O)c1cc(NC(=O)NCc2ccncc2)ccc1Cl 47813568 LJXAQTLACYNCHE-UHFFFAOYSA-N 318.764 2.416 0 40 DEAB NC(=O)c1cccc(NC(=O)NCCOc2ccc(F)cc2)c1 43714938 AXTWKZNTBAPXFK-UHFFFAOYSA-N 317.320 2.125 0 40 DEAB Cc1cc(NC(=O)CCN2CCC[C@@H]2c2cccn2C)no1 58068068 NQUCHSFJFOKDBE-CQSZACIVSA-N 302.378 2.487 0 40 DEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N(C)Cc1ccccc1 12771482 NLCXQGHNQCIVRA-UHFFFAOYSA-N 317.414 2.332 0 40 DEAB COc1ccc2cc(C(=O)O[C@H]3CCOC3=O)c(C)nc2c1 10725554 JSZWLQYMKKGGEW-AWEZNQCLSA-N 301.298 2.024 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)NCc1cn2cc(Br)ccc2n1 48750061 UYYQNXIPFWXTEE-KCJUWKMLSA-N 308.179 2.369 0 40 DEAB O=C1CCc2cc(S(=O)(=O)N3CCCCCC3)ccc2N1 3907507 XDUWCSGQAXITEZ-UHFFFAOYSA-N 308.403 2.136 0 40 DEAB COc1ccc(CNS(=O)(=O)c2ccc(Cl)nc2)cc1 8474753 PTZYSDHCZQCOPG-UHFFFAOYSA-N 312.778 2.222 0 40 DEAB Cc1cc(Nc2cccc(CN3CCOCC3)c2)n2ncnc2n1 69508811 DITHEXVEWWATLD-UHFFFAOYSA-N 324.388 2.009 0 40 DEAB COc1ccc(CCCN(C)CC(=O)Nc2nncs2)cc1 65589669 NJMJSGDXZIMYMS-UHFFFAOYSA-N 320.418 2.050 0 40 DEAB C[C@H](CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 69632242 HHQVUXJQNIHZJY-CRAIPNDOSA-N 316.445 2.300 0 40 DEAB CCc1ccsc1C(=O)N1CCC(c2nncn2C)CC1 65614361 VYVBRCPLOAICMA-UHFFFAOYSA-N 304.419 2.459 0 40 DEAB CC(C)CCN1CN(n2cnnc2)c2nc3ccccc3n2C1 20637289 IPHSSAKCVLQCIL-UHFFFAOYSA-N 311.393 2.174 0 40 DEAB O=C(Cc1noc2ccccc12)NCc1ccc2c(c1)OCO2 6836213 GTCPKJUYSAYECH-UHFFFAOYSA-N 310.309 2.415 0 40 DEAB CC(=O)NCCNC(=O)c1ccccc1OCc1ccccc1 6859400 SFXCJRCPGDTMJU-UHFFFAOYSA-N 312.369 2.132 0 40 DEAB O=C(Nc1ccc(F)cn1)[C@@H]1CSCN1C(=O)C1CCCC1 69846525 BHTJMXVVVNHBSV-LBPRGKRZSA-N 323.393 2.251 0 40 DEAB Cc1ccccc1N1C(=O)C[C@H](NCCc2ccc(O)cc2)C1=O 18088159 PGXRADMQFBMASA-INIZCTEOSA-N 324.380 2.165 0 40 DEAB CCCN(C(=O)Nc1ccccc1F)[C@H]1CCS(=O)(=O)C1 6934878 YNJQSBGWWHWZEO-NSHDSACASA-N 314.382 2.257 0 40 DEAB Cc1conc1NS(=O)(=O)c1cc(Cl)cc2c1OCC2 96009592 XAWWGXRQRHTDNG-UHFFFAOYSA-N 314.750 2.372 0 40 DEAB CC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cs1 19796532 RJRKESNJEXAVOQ-SSDOTTSWSA-N 303.343 2.488 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2occc2C)c1C 9477856 KUGOSPNGNHDZQB-UHFFFAOYSA-N 319.313 2.359 0 40 DEAB CN1CC[C@@H](N(C)c2nccc(Oc3ccc(F)cc3)n2)C1=O 71915192 XTQLBZQBHDIKNB-CYBMUJFWSA-N 316.336 2.075 0 40 DEAB C[C@@H](C(=O)NCCNC(=O)c1ccccc1O)c1ccsc1 89913461 TYXJYIZXUNPDGS-LLVKDONJSA-N 318.398 2.103 0 40 DEAB Cc1n[nH]c(C)c1CNC(=O)C[C@H]1OCCc2sccc21 84019456 DAIWHULVZKHKFS-CYBMUJFWSA-N 305.403 2.408 0 40 DEAB Cc1nnc(NC(=O)N(C)Cc2nccn2C(F)F)s1 76027648 FVVOCFGXLYVWIK-UHFFFAOYSA-N 302.310 2.102 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1ncnc2c1CCC2 72268346 GYGPZGUCZCHZFU-HZPDHXFCSA-N 314.433 2.335 0 40 DEAB O=C(NCc1cccc(CN2CCCC2)c1)C1CCOCC1 72277111 LPWDOHCFTWYDAZ-UHFFFAOYSA-N 302.418 2.325 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)no1 72231933 NMNMWNLOISQCEC-AWEZNQCLSA-N 300.362 2.112 0 40 DEAB c1csc([C@H](CNc2nc(C3CC3)no2)N2CCOCC2)c1 72289962 CUTYUOHWZTVKRL-LBPRGKRZSA-N 320.418 2.494 0 40 DEAB CCOc1ccc(C(=O)N(C)CC[C@@H]2CCCCN2C)cn1 72297698 MWARGTICMZWLLD-HNNXBMFYSA-N 305.422 2.427 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCc2nccn2C1 97197480 JEYDZMAFURWRIY-OAHLLOKOSA-N 308.385 2.277 0 40 DEAB C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1Cl 72300574 LNPAYTCEBZSCFF-RISCZKNCSA-N 316.854 2.100 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC(N2CCCC2)CC1 84541318 BRFYQXACKPYJJE-UHFFFAOYSA-N 308.447 2.077 0 40 DEAB CCc1ccc([C@@H]2CCCN2C(=O)NCC(=O)NCC(C)C)o1 95398389 QGGLLILMOQNUDG-AWEZNQCLSA-N 321.421 2.461 0 40 DEAB CCS(=O)(=O)N(CCc1cccs1)Cc1cc(C)on1 95453578 AEWCGGOXEFOHDF-UHFFFAOYSA-N 314.432 2.439 0 40 DEAB O=S(=O)(Nc1noc(C2CC2)n1)c1ccc2c(c1)CCC2 95466361 NAKQKEMIEJMFKI-UHFFFAOYSA-N 305.359 2.237 0 40 DEAB C(CN[C@@H]1CC[C@@H]2SCCS[C@@H]21)COC[C@@H]1CCOC1 95985042 OGZXILHHUGCFJD-LJISPDSOSA-N 317.520 2.399 0 40 DEAB Cc1nc([C@H]2CN(CCOc3ccccc3C)CCO2)no1 95958155 PUPGGSMQOTWXDD-OAHLLOKOSA-N 303.362 2.139 0 40 DEAB CC(C)[C@H]1CN(C(=O)CCCS(C)(=O)=O)c2ccccc2N1 75093021 NGZPFPXVQJFPIF-CQSZACIVSA-N 324.446 2.295 0 40 DEAB Cc1cc(C)c(S(=O)(=O)Nc2c(C)noc2C)cc1C(=O)O 89570273 UGRZZHLQIDEZSJ-UHFFFAOYSA-N 324.358 2.407 0 40 DEAB CNC(=O)NCC(=O)N[C@H](c1ccccc1)c1ccc(C)cc1 89564945 JDQGMWGTZXGAPT-QGZVFWFLSA-N 311.385 2.130 0 40 DEAB Cc1cccc(-c2c(-c3ccccc3)ncn2C(CO)CO)n1 65371255 SDWCJVRWNTWGGD-UHFFFAOYSA-N 309.369 2.446 0 40 DEAB NNc1nc2ccccc2c(=O)n1CCc1c[nH]c2ccccc12 408712827 VCGHKBHDCJHDMG-UHFFFAOYSA-N 319.368 2.406 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCCCn2cc(C)cn2)C12CCC2 73946767 YNRAAEHTZOKMBT-GJZGRUSLSA-N 320.437 2.229 0 40 DEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 6252778 IRMPITCUTYXXON-GJZGRUSLSA-N 312.369 2.494 0 40 DEAB biogenic CC(C)N(C(=O)CN)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79391130 XCNCNHFCRIYMRE-STQMWFEESA-N 313.442 2.018 0 40 DEAB CCn1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c(C)n1 71282780 NRFSYPYHZANDSQ-SNVBAGLBSA-N 303.366 2.406 0 40 DEAB CO[C@@H]1CCC[C@H]1[C@H]1COCCN1Cc1ccccc1C(=O)O 568064580 IVWMHMPAKHEHPN-GVDBMIGSSA-N 319.401 2.401 0 40 DEAB O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(C(=O)Cc1ccccc1)C2 225478087 SYHCQDVVWMZXHK-HOCLYGCPSA-N 322.364 2.230 0 40 DEAB biogenic,in-vitro CC(=O)Nc1ccc(CN2CC[C@H](c3nnc(C)o3)C2)cc1 49169255 NTNWCDWNIPWASS-AWEZNQCLSA-N 300.362 2.326 0 40 DEAB biogenic,in-vitro C[C@@H](Oc1cccc(Cl)c1)C(=O)NCC1(C)OCCCO1 191104036 NHDGCAOAVXYAPF-LLVKDONJSA-N 313.781 2.377 0 40 DEAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccc(C)n1)C2 96056754 WQPGENCDUFVYRR-RDJZCZTQSA-N 304.390 2.048 0 40 DEAB Cc1ccc([C@H]2[C@H](C(=O)N3CCSCC3)CC(=O)N2C)cc1 96181394 YJAIDNNEJWYEID-ZBFHGGJFSA-N 318.442 2.090 0 40 DEAB CC(C)(C)OC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 90635732 PBGXIMKODXATQR-UHFFFAOYSA-N 315.366 2.219 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 96192070 FOPHVFZFFCPPJJ-LBPRGKRZSA-N 300.358 2.374 0 40 DEAB Cc1ccc(OCC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1 96425512 FRZLCBCAJBXHFT-ZDUSSCGKSA-N 315.417 2.472 0 40 DEAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccco1 96060543 YIEFHTBEDZTOLK-HNNXBMFYSA-N 302.378 2.027 0 40 DEAB Cc1nc2[nH]nc(N)c2c(C)c1-c1ccc(S(C)(=O)=O)cc1 96163006 GGHVHRNAYKTKQJ-UHFFFAOYSA-N 316.386 2.227 0 40 DEAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NC(C)C)C1 96252895 PGIYGPJQZVVERZ-IXDOHACOSA-N 302.418 2.109 0 40 DEAB O=C(N1CCCC1)N1CC[C@@H]2OCCC[C@@]2(COCC2CC2)C1 96039937 KTFVTIYDLWBIAZ-WMZOPIPTSA-N 322.449 2.500 0 40 DEAB C[C@H](Cc1ccsc1)NS(=O)(=O)CC[C@@H]1CCCO1 96472490 MMOCFVBJKBBQDI-YPMHNXCESA-N 303.449 2.168 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)n1 257230896 GEKTXGDLSFQJRT-CQSZACIVSA-N 314.389 2.339 0 40 DEAB C1=C(CN2CCO[C@H](c3cnccn3)C2)COc2ccccc21 257207872 BJSIXPCTBGSBSE-SFHVURJKSA-N 309.369 2.326 0 40 DEAB CNc1cccc([C@H]2CN(C(=O)c3cncc(C)c3)CCO2)n1 257324257 WNWOSWMLZJRFTI-OAHLLOKOSA-N 312.373 2.040 0 40 DEAB c1cc2c(cc1-c1csc(CN3CCOCC3)n1)OCCO2 265462460 GOIPXWBVGAUMMY-UHFFFAOYSA-N 318.398 2.414 0 40 DEAB CO[C@@]1(COc2cccc(C)c2)CCN(C(=O)c2cnc[nH]2)C1 585274816 ONIGOYYQVNEVLD-KRWDZBQOSA-N 315.373 2.028 0 40 DEAB Cc1nccc(N2CC[C@H](Cc3ccccc3F)[C@H](O)C2)n1 585279586 VVQYYBANRURIOX-GDBMZVCRSA-N 301.365 2.354 0 40 DEAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 63702429 XTMLIPDCGHKMNE-DLBZAZTESA-N 302.418 2.051 0 40 DEAB O=C1CC[C@H](C(=O)NCC2(c3c(F)cccc3F)CCCC2)N1 69708638 WQOYKISKRXHMKS-CYBMUJFWSA-N 322.355 2.171 0 40 DEAB CCCCN(CCO)S(=O)(=O)c1cnc2ccsc2c1 95432872 WQXNPKJGNLPEQS-UHFFFAOYSA-N 314.432 2.079 0 40 DEAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCCc1ccc(O)cc1 95427486 NNFLZAHRMBMQSI-LLVKDONJSA-N 301.390 2.270 0 40 DEAB CCCc1cc(NS(=O)(=O)Cc2ccccc2F)n(C)n1 97140377 DKUFCKOKUYOASH-UHFFFAOYSA-N 311.382 2.454 0 40 DEAB Cc1cc(C)n([C@H](CNC(=O)[C@@H]2CCOC2)c2cccs2)n1 585368998 MTVMOUSNLHPEDE-ZIAGYGMSSA-N 319.430 2.304 0 40 DEAB COC(=O)C[C@H]1CN(Cc2cc(F)ccc2Cl)CCO1 98060041 XDFGYGZKXPZQPH-LBPRGKRZSA-N 301.745 2.243 0 40 DEAB CC(C)N1C(=O)C[C@H](Nc2ccnc(-c3ccccc3)n2)C1=O 101455122 WRSVHIWBSVDVIL-ZDUSSCGKSA-N 310.357 2.091 0 40 DEAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3csc(C)n3)C2)n1 575413952 XQICUOFHMYUOJG-GFCCVEGCSA-N 318.402 2.152 0 40 DEAB Cc1occc1-c1nnc(SCC(=O)N2CCCCC2)n1C 4948130 QSMFJMSBOMHXHI-UHFFFAOYSA-N 320.418 2.488 0 40 DEAB Cc1ccc(NC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cc1 18181379 NSXPCCJDJJXAIJ-INIZCTEOSA-N 309.369 2.439 0 40 DEAB Cc1nnsc1C(=O)NCc1cc(-c2cccs2)on1 36662375 KERFDDRZLFNFEL-UHFFFAOYSA-N 306.372 2.493 0 40 DEAB O=C(NC1CCCCC1)C1=C(O)CN(c2ccccc2)C1=O 217436910 VJYDPAQZXCPIFQ-UHFFFAOYSA-N 300.358 2.294 0 40 DEAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc2[nH]ccc2c1 575617510 DTGMOFOEKCRLCI-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB O=C(Cc1ccsc1)NCc1cn(-c2cccs2)nn1 575617780 WVCSYFNOVCNPFU-UHFFFAOYSA-N 304.400 2.249 0 40 DEAB O=C(NC1CC1)C1CCN(c2ccncc2Br)CC1 368376767 ITZWGCNILIHHOW-UHFFFAOYSA-N 324.222 2.339 0 40 DEAB O=C(NCC[C@@H](O)c1cccs1)[C@@H]1COc2ccccc2O1 77113733 MGOKKIZDJYVJFM-RISCZKNCSA-N 319.382 2.128 0 40 DEAB Cn1cc(NC(=O)c2ccccc2OC[C@H]2CCCO2)cn1 25308460 PBHISWIXPKQTNW-CYBMUJFWSA-N 301.346 2.230 0 40 DEAB Cc1cccc(C2(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)CCC2)c1 40050481 DQGAQGDZZGLUFF-HNNXBMFYSA-N 321.442 2.062 0 40 DEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2[nH]cnc2c1 31038530 GEDQKDMFHOYPQG-GFCCVEGCSA-N 309.325 2.133 0 40 DEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@@H]1CC=CCC1 98055402 AGXWMECPZVTFLW-WISAJEAXSA-N 323.400 2.452 0 40 DEAB CS[C@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 78869016 AXGIFRUVYYIGHB-SKDRFNHKSA-N 312.822 2.313 0 40 DEAB O=C(NCCc1ncno1)Nc1ccc(C(F)(F)F)cc1 79058402 SWKZHZWYFDPRHZ-UHFFFAOYSA-N 300.240 2.453 0 40 DEAB Cc1oncc1NC(=O)Nc1cccc(N2CCNC2=O)c1 95467259 BNFWKHDWARUSGI-UHFFFAOYSA-N 301.306 2.157 0 40 DEAB C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(F)cc2F)C1 25131840 YPMHETKEVBKQDU-LLVKDONJSA-N 310.344 2.343 0 40 DEAB O=C(O)CSc1nc2ccccc2c(=O)n1Cc1ccco1 3912044 WRLRKHUXPACMHS-UHFFFAOYSA-N 316.338 2.215 0 40 DEAB CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cccc2c1CCN2C 108132561 NOVVQPINBXGBKO-BLLLJJGKSA-N 303.406 2.304 0 40 DEAB COc1ccc(C2(C(=O)OCC(=O)NC3CC3)CCCC2)cc1 57574851 CAOMBRFFAVKUBK-UHFFFAOYSA-N 317.385 2.329 0 40 DEAB Cc1cc(Oc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)n[nH]1 95413778 FBAVPLJVHBQQSP-NSHDSACASA-N 312.333 2.302 0 40 DEAB COc1ccc2nc(C)c(C(=O)NC[C@@H]3CCCO3)cc2c1 27396844 HJYBEWCLFKVJHP-AWEZNQCLSA-N 300.358 2.461 0 40 DEAB N=C(NCc1ccccc1CN1CCOCC1)NC1CCCC1 58064528 DRHXFEIYNLWTTO-UHFFFAOYSA-N 316.449 2.075 0 40 DEAB COc1cccc(/C=C2\NC(=S)N(CC(C)C)C2=O)c1O 10025396 JUFXNJBLAPBDGV-XFFZJAGNSA-N 306.387 2.114 0 40 DEAB Cc1cccc(N(CC(=O)N2CCC[C@@H](C)C2)S(C)(=O)=O)c1 10541317 CTNGNQPAOLKUPN-CQSZACIVSA-N 324.446 2.020 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)NCc3ccccn3)ccc21 28200189 VTZZFZOFPUZMGW-UHFFFAOYSA-N 322.368 2.050 0 40 DEAB Cc1cc(C)c(CNC(=O)CCOCc2ccccc2)c(=O)[nH]1 75121418 UAFRUGBIARXDAJ-UHFFFAOYSA-N 314.385 2.215 0 40 DEAB CC1(C)OC(=O)C2(Cc3ccccc3N3CCCC[C@H]32)C(=O)O1 2334746 YEQHGRUULNKIHC-AWEZNQCLSA-N 315.369 2.424 0 40 DEAB biogenic CCN(CC)C(=O)c1ccc(NC(=O)Cn2ccnc2)cc1 10809644 DUNYFRNCTITWDB-UHFFFAOYSA-N 300.362 2.004 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)C1(c2ccc(Cl)cc2)CC1 58953675 QQYIWOOEHKHBTD-ZDUSSCGKSA-N 322.836 2.209 0 40 DEAB Cc1ccc(S(=O)(=O)NC2CCN(C3CC3)CC2)cc1C 12788035 FCLNRLQEXSOLII-UHFFFAOYSA-N 308.447 2.209 0 40 DEAB COC(=O)CCCN1CCN(CCCc2ccccc2)CC1 75105387 WGFINCSJPSRXGT-UHFFFAOYSA-N 304.434 2.190 0 40 DEAB C[C@@H](OCC1CC1)C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 95424128 MQMSWWQDJRVAKG-YGRLFVJLSA-N 309.337 2.273 0 40 DEAB Cc1ccc(-c2noc(CN3CCN(C)C[C@@H]3C)n2)cc1F 89644100 MDKRTHXAHQCYCM-LBPRGKRZSA-N 304.369 2.320 0 40 DEAB O=S(=O)(c1ccc(C(F)(F)F)cc1)N1[C@@H]2CC[C@@H]1COC2 101467136 HTKGBOXPCQHGKB-GHMZBOCLSA-N 321.320 2.257 0 40 DEAB CC[C@@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102846270 GCWRYXUNDCRBDV-MZWRDOSVSA-N 302.422 2.488 0 40 DEAB O=c1n(Cc2coc(-c3ccc(F)cc3)n2)nc2ccccn12 89878856 KHQUZGLLBTYBHA-UHFFFAOYSA-N 310.288 2.338 0 40 DEAB c1cnc(N[C@H]2CO[C@]3(CCN(Cc4cccs4)C3)C2)nc1 107226377 YZURFVWBQNALLG-CZUORRHYSA-N 316.430 2.384 0 40 DEAB Cc1sc2ncnc(NCc3nnc4n3CCC4)c2c1C 12895942 ZPYLUROXXKVQPJ-UHFFFAOYSA-N 300.391 2.458 0 40 DEAB O=C(NCc1ccc(F)cc1)c1cn(-c2ccc(F)cc2)nn1 38652796 IFHXZKQPIQMIIS-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB C[C@H](NC(=O)N1CCC(c2ccccc2)CC1)c1nncn1C 65440752 ONEOFYMTTJLSEY-ZDUSSCGKSA-N 313.405 2.465 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)N[C@@H]1CCCC[C@H]1C 5352545 ZSWWSKQEHSLEKS-IJLUTSLNSA-N 302.440 2.159 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1ccccc1F 14162948 DCPLFBIKFJSCSP-UHFFFAOYSA-N 317.345 2.396 0 40 DEAB O=S(=O)(/C=C/CN1CCOCC1)c1ccc2ccccc2c1 19899404 QJSAFRMOKPIQAV-QLKAYGNNSA-N 317.410 2.459 0 40 DEAB O=C(CNc1cccc(C(=O)N2CCCC2)c1)N1CCCCC1 66095433 VQDFBYNSFFOXAI-UHFFFAOYSA-N 315.417 2.347 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)N1C[C@H](C(N)=O)CC[C@H]1C 71823469 FNTDMZWUZHAGKG-ICGPHACGSA-N 316.401 2.129 0 40 DEAB O=C(CCOc1ccc(F)cc1)N1CCC[C@H]1Cn1cccn1 71866452 JRYLHDHIWGVFFP-HNNXBMFYSA-N 317.364 2.482 0 40 DEAB CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 5936883 OPZCDNPJXMVMDA-UHFFFAOYSA-N 304.371 2.470 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(Cc2cccnc2)CC1 71835243 RYWPHJRBEMIQMN-HZPDHXFCSA-N 311.385 2.123 0 40 DEAB O=C(NCCc1cccc(F)c1)c1n[nH]c(=O)c2ccccc12 7041148 FLNSASCJIXBXRH-UHFFFAOYSA-N 311.316 2.035 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 7405077 SNKFMGXMZJCUFA-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cc1nc(N2CCC[C@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 80772807 ZXFNCILDBFJCGL-ZDUSSCGKSA-N 313.405 2.009 0 40 DEAB O=C(c1c(F)cccc1F)N1CCN(C[C@H]2CCCCO2)CC1 69027537 SOSDPNAAFAKDFS-CYBMUJFWSA-N 324.371 2.292 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)cc1 69350544 GUCAVXNWSLGAOC-OCCSQVGLSA-N 306.431 2.425 0 40 DEAB COc1ccc2[nH]cc(CC(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2c1 95991972 CPIFWJLBEFVCJH-PWSUYJOCSA-N 316.357 2.089 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(CCO)C1CC1 95944972 HFJDBKRUSALLLZ-AWEZNQCLSA-N 318.417 2.281 0 40 DEAB Cc1nnc2n1CCN(C(=O)c1ccc(-n3cccc3)cc1)C2 69562813 BNLKEATWGKTDDF-UHFFFAOYSA-N 307.357 2.033 0 40 DEAB C[C@@H](NC(=O)N1CC[C@H](c2cccc(F)c2)C1)c1nncn1C 69698635 VFTNDVOWDUYVGO-YPMHNXCESA-N 317.368 2.214 0 40 DEAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 69947727 BHMWNJZBZIAZTG-UONOGXRCSA-N 316.409 2.023 0 40 DEAB Cc1ocnc1C(=O)N(CCC(=O)O)Cc1ccc(F)c(F)c1 97035616 ASBOQNLMUNERSR-UHFFFAOYSA-N 324.283 2.378 0 40 DEAB Cc1nn(C)c(C)c1OC(=O)c1cc(OCC(F)F)ccn1 97046817 LXQXREZQTLFHMR-UHFFFAOYSA-N 311.288 2.295 0 40 DEAB Cc1nc(Cl)cc(N2CCN(C(=O)C3CC3)CC2(C)C)n1 97141284 BPVAXUXXALZGFA-UHFFFAOYSA-N 308.813 2.276 0 40 DEAB Cc1nc(C(=O)N2CCC[C@H]2Cn2cnc3ccccc32)c[nH]1 89497076 AHQAYNPKMRCKQW-ZDUSSCGKSA-N 309.373 2.373 0 40 DEAB CC(C)c1nc(CN2CCN(c3nccs3)[C@H](C)C2)no1 95351855 RSNPOMDDUBOWEO-LLVKDONJSA-N 307.423 2.360 0 40 DEAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1cccs1 20152350 DHSDNESYHFVIFT-UHFFFAOYSA-N 322.367 2.279 0 40 DEAB CC(C)(C)OC(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 409421783 QNRZKOZQMDNJCQ-MRVPVSSYSA-N 320.315 2.428 0 40 DEAB c1ccc(-n2nnnc2C2(N3CCOCC3)CCCCC2)cc1 22436517 WYBBZRPNRMKWRG-UHFFFAOYSA-N 313.405 2.154 0 40 DEAB C[C@H](NC(=O)N1C[C@@H](C)O[C@@H](CO)C1)c1ccc(Cl)s1 188624273 YXCVAFYDOISQDH-KXUCPTDWSA-N 318.826 2.254 0 40 DEAB COc1ccc(OC)c2c1cc(C(=O)N1CCSCC1)n2C 72400672 JOQFOFFXXKBBRH-UHFFFAOYSA-N 320.414 2.385 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2cscn2)cc1 129073115 WWTAHBJREJAIRZ-LLVKDONJSA-N 324.427 2.044 0 40 DEAB CCN(C[C@@H]1CCN(CC(=O)O)C1)C(=O)OCc1ccccc1 79413772 ZUNMDYOREUSKOO-OAHLLOKOSA-N 320.389 2.052 0 40 DEAB Cc1cc(N2CCC[C@@H](c3nccnc3-n3ccnc3)C2)ncn1 72359252 ZXZASXPUBYXUMA-CQSZACIVSA-N 321.388 2.145 0 40 DEAB O=C(c1ncn[nH]1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219328940 STEDVTGLRHNDKU-LBPRGKRZSA-N 324.356 2.403 0 40 DEAB Cc1cncnc1C1CCN(C(=O)[C@@]2(C)CCCCN2C)CC1 72367291 KYEBPTTZEFQHFH-GOSISDBHSA-N 316.449 2.365 0 40 DEAB Cn1c(C(=O)O)c([C@@H](C(=O)O)N2CCCC2)c2ccccc21 36358291 VHVMSPQJYMTQFR-AWEZNQCLSA-N 302.330 2.098 0 40 DEAB O=C(O)[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cn2)C1 71405194 ICCVCQBJZHBQOZ-YUMQZZPRSA-N 313.151 2.284 0 40 DEAB CC(C)(Cc1cccc(Cl)c1)C(=O)NCCS(C)(=O)=O 84744089 SHPJXQZRBBPECB-UHFFFAOYSA-N 317.838 2.070 0 40 DEAB CC(C)N1NC2(CCN(Cc3ccccc3)CC2)NC1=S 225350195 SVGKGGSFQHDCJQ-UHFFFAOYSA-N 304.463 2.082 0 40 DEAB O=C(CN1CCCCCCC1=O)N[C@H]1C[C@H]1c1ccccc1 67515741 QPSKZDSLXRRQTQ-HOTGVXAUSA-N 300.402 2.451 0 40 DEAB CCC[C@@H](N)C(=O)N1CCN([C@H](C)c2cccc(OC)c2)CC1 195543796 QVCXPZIJHXGQSC-RHSMWYFYSA-N 319.449 2.028 0 40 DEAB CCN(C)[C@@H](C(=O)NCCc1nccs1)c1ccccc1 69418852 NZHMCCNCYSXBFT-OAHLLOKOSA-N 303.431 2.495 0 40 DEAB O=C(CNC1(c2nccs2)CCCC1)NCC(F)(F)F 81577893 XHUWBMHKZVHVJT-UHFFFAOYSA-N 307.341 2.181 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@@](C)(O)c2cccs2)cn1 96417754 LJHNPNALORAXKQ-MRXNPFEDSA-N 319.430 2.201 0 40 DEAB C[C@H](NC[C@H]1Cc2ccccc2O1)c1ccc(-n2cnnn2)cc1 96476520 NPGHRTOOFBDTEH-SUMWQHHRSA-N 321.384 2.317 0 40 DEAB O=C1CC[C@]2(CCCN(CCO)CC2)N1Cc1ccccc1 96218169 AMPBUOSDXBFTJS-SFHVURJKSA-N 302.418 2.026 0 40 DEAB COc1ccccc1CC(=O)Nc1cnn(C2CCOCC2)c1 96123368 HOXYCTZVLMXQTO-UHFFFAOYSA-N 315.373 2.424 0 40 DEAB O=c1sc2c(n1Cc1ncn(-c3ccccc3)n1)CCCC2 92261835 GLVMJFBOBOIGOT-UHFFFAOYSA-N 312.398 2.418 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCc1ccncc1 96461725 PRQFXUMCEMBXBF-HUUCEWRRSA-N 304.390 2.252 0 40 DEAB Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)NC4CCC4)O[C@@H]3C2)o1 96220451 WHGFOFJRDXRDCS-RRQGHBQHSA-N 318.417 2.236 0 40 DEAB CC[C@](C)(O)CNC(=O)NCc1cc(Cl)cc2c1OCC2 97375449 KBTXXDFABKOIPI-HNNXBMFYSA-N 312.797 2.235 0 40 DEAB c1ccc(-n2ncc(CSc3ncnc4nc[nH]c34)n2)cc1 96410891 KKSPLRAWKJBOGZ-UHFFFAOYSA-N 309.358 2.226 0 40 DEAB Nc1nc(C[C@H]2COc3ccccc3C2)cc(N2CCCC2)n1 91950561 AGCGNQPHVHUMCA-ZDUSSCGKSA-N 310.401 2.453 0 40 DEAB CS(=O)(=O)c1nccn1Cc1ccccc1C(F)(F)F 96447810 JFQCJURUVCXDNO-UHFFFAOYSA-N 304.293 2.354 0 40 DEAB CN(CCN1CCOC1=O)C(=O)c1ccc(F)c(Cl)c1F 97376754 GRKPEQNEDZSOLG-UHFFFAOYSA-N 318.707 2.142 0 40 DEAB c1csc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)n1 96189094 ZMASHAWQPYUTIQ-AWEZNQCLSA-N 318.446 2.398 0 40 DEAB Cc1cc(O)nc([C@H]2CN(Cc3sccc3C)CCO2)n1 257285950 PJNIWKPFVKVNCF-GFCCVEGCSA-N 305.403 2.434 0 40 DEAB O=C(c1cnc(O)c(Cl)c1)N1CCO[C@H](c2ccncc2)C1 257223626 DYEXSBUPYBFAMM-ZDUSSCGKSA-N 319.748 2.049 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 257267995 MJUYTWXQTDAESJ-ZDUSSCGKSA-N 311.389 2.026 0 40 DEAB Cc1nccc([C@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 257207550 BIGJUAYEXFSVSL-AWEZNQCLSA-N 323.400 2.472 0 40 DEAB COCC(=O)N1CCC[C@](C)(c2nc(C)n3ccsc23)C1 257308480 TWWIFBUMUJRQKG-HNNXBMFYSA-N 307.419 2.231 0 40 DEAB O=C(CSc1nnc(-c2ccco2)[nH]1)N[C@H]1C[C@H]2CC[C@H]1C2 250071204 AYOJKJRRRSZSBR-DCAQKATOSA-N 318.402 2.462 0 40 DEAB c1cc(CN2CCN(C3CCCC3)CC2)nc([C@H]2CCCO2)n1 257316220 VEQNXFAZPUSFEE-QGZVFWFLSA-N 316.449 2.388 0 40 DEAB Cc1cnccc1OC1CCN(C(=O)[C@H](C)n2cccn2)CC1 278336277 MIVFHAKIPUBGTH-AWEZNQCLSA-N 314.389 2.218 0 40 DEAB CN1CCc2cc([C@@H](O)CNC(=O)/C=C/c3ccco3)ccc21 96362167 QIFQMVDONUKJCJ-UABRLCRWSA-N 312.369 2.135 0 40 DEAB CCN1C(=O)CC[C@]12CCCN(Cc1cnn(CC)c1)CC2 585100622 QHLILJIPKUFIQU-KRWDZBQOSA-N 304.438 2.270 0 40 DEAB CC(C)c1ccc(OCCC(=O)N2CCC(C(N)=O)CC2)cc1 71834951 WISFXNYSVICWHG-UHFFFAOYSA-N 318.417 2.303 0 40 DEAB Cc1cc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 74447991 QXHYOASYVCNHHL-INIZCTEOSA-N 312.417 2.455 0 40 DEAB CCCc1nc(CN2CCC[C@@H](CNC(=O)C(C)C)C2)no1 60361041 WNWPOHYVEQNHTA-ZDUSSCGKSA-N 308.426 2.006 0 40 DEAB c1n[nH]cc1CCCN1CCC[C@@H](c2noc(C3CC3)n2)C1 78890764 OGTOKWPCBXHZEN-CQSZACIVSA-N 301.394 2.482 0 40 DEAB C[C@@H](CNC(=O)NCc1cccnc1)N(C)Cc1ccccc1 78923920 LEBJLJNYXCLUPV-HNNXBMFYSA-N 312.417 2.401 0 40 DEAB CC[C@H](CO)N1CCN(Cc2nc(Cl)ccc2Cl)CC1 96012967 APQCBNLRFQWCPD-LLVKDONJSA-N 318.248 2.277 0 40 DEAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)no1 15998537 LLAQVDOHRHHVNI-UHFFFAOYSA-N 316.285 2.232 0 40 DEAB COc1cccc(C(=O)N2CCCC[C@@H]3[C@H]2CCN3C)c1OC 19712571 NHSJPUDRAZZWKI-HUUCEWRRSA-N 318.417 2.403 0 40 DEAB N=C(N)Sc1cn(CC(=O)N2CCCC2)c2ccccc12 19723581 VSKPLTYTRWVLMR-UHFFFAOYSA-N 302.403 2.249 0 40 DEAB CCc1nc2ccccc2n1C1CCN(C(=O)[C@H](C)N)CC1 158186611 BXHRHPMTANVJQC-LBPRGKRZSA-N 300.406 2.109 0 40 DEAB Cn1cccc1[C@]1(O)CCC[C@H]2CN(C(=O)c3ccco3)C[C@H]21 248082666 ARLGVIAOSKEACO-IYOUNJFTSA-N 314.385 2.378 0 40 DEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 10221460 DXWZHLWNQIAVQY-UKRRQHHQSA-N 317.433 2.308 0 40 DEAB CCOC(=O)NCc1nnc2ccc(-c3ccsc3)nn12 238903364 RRHJERLMESJJMV-UHFFFAOYSA-N 303.347 2.099 0 40 DEAB CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@H]2C1 2037843408 CKDHFZVWTFGMMG-JKSUJKDBSA-N 302.418 2.228 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cc(C3CC3)on1)C2 1146921938 RSBPCSKQNWVNAP-WBVHZDCISA-N 320.389 2.210 0 40 DEAB CN(c1ccccn1)C1CCN(c2nc3cccnc3n2C)CC1 2086889433 XUYYTHPYZUQCFP-UHFFFAOYSA-N 322.416 2.469 0 40 DEAB COCCNC(=O)NC[C@H](c1csc2ccccc12)N(C)C 575619492 FYVLNPOFMFQGQM-CQSZACIVSA-N 321.446 2.450 0 40 DEAB O=C(/C=C/c1ccco1)NCC[C@@H](O)c1ccc2c(c1)OCO2 90612491 HRNULBQACDHNEL-YVARQFDVSA-N 315.325 2.261 0 40 DEAB C[C@]1(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC1(Cl)Cl 50445825 KOZRSNJVYDOUNW-NOZJJQNGSA-N 319.232 2.088 0 40 DEAB C[C@@H](OCC(F)(F)F)C(=O)NC[C@@H]1COc2ccccc2C1 40523541 HJFRRKBHWUORFV-GHMZBOCLSA-N 317.307 2.321 0 40 DEAB C[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)Nc1ccccc1 40555976 OCWCPZKZVFWEQA-CYBMUJFWSA-N 318.398 2.133 0 40 DEAB c1cncc(CNc2nc(N3CCCCC3)c3nccnc3n2)c1 31819406 QZQOHLJTDVHQNP-UHFFFAOYSA-N 321.388 2.417 0 40 DEAB CC(C)Cc1ccc([C@@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 51259138 RYYVOXQJYVBHSB-AWEZNQCLSA-N 304.390 2.249 0 40 DEAB CC(=O)C(Sc1nc2sc(C)c(C)c2c(=O)[nH]1)C(C)=O 101403159 SSKZOQPDHDLLSD-UHFFFAOYSA-N 310.400 2.240 0 40 DEAB O=C(c1ccc(O)nn1)N1CCC(OCc2ccccc2)CC1 32850869 MIEUSAZWDQANHG-UHFFFAOYSA-N 313.357 2.004 0 40 DEAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@@H]1CCCO1 21963151 ACNCJQJJASVTOV-JCVNQNCUSA-N 314.385 2.122 0 40 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C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccccc1Cl 56017509 QKCACFDDBHDIGJ-SXDPYWSBSA-N 306.793 2.466 0 40 DEAB C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[C@H](CCO)C1 89913480 DRAMCJVPXAIFAI-LSDHHAIUSA-N 300.406 2.423 0 40 DEAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(CCc1ccccc1)[C@@H]1CCOC1 110672247 YZKQQWIAJGLMIR-BRSBDYLESA-N 315.413 2.414 0 40 DEAB O=C(COC(=O)c1ccnc(Cl)c1)NCc1ccccc1 27442706 SZGXCUMTIWJIFG-UHFFFAOYSA-N 304.733 2.208 0 40 DEAB O=C1CCc2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)ccc2N1 27057436 XUTKPUJHYYVKCU-STQMWFEESA-N 314.341 2.177 0 40 DEAB CC(C)CNC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58290248 LYICWNWGXNXDPT-UHFFFAOYSA-N 313.419 2.021 0 40 DEAB CC[C@@](C)(NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)OC 58282517 UUFLEXZROKQFTM-SWLSCSKDSA-N 311.765 2.101 0 40 DEAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@@H](C)C(C)(C)O)cc1 58289761 IIEYCUBUIFKFIF-LBPRGKRZSA-N 321.421 2.240 0 40 DEAB O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)C1CCC1 58368011 CLWVZPHGZVLFIB-UHFFFAOYSA-N 317.385 2.380 0 40 DEAB CC(=O)c1ccc(OC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3561970 GLCPOHKUHUPUQA-UHFFFAOYSA-N 322.320 2.355 0 40 DEAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CCOc1ccccc1 3594628 IUESUTULOVQDNH-IBGZPJMESA-N 322.364 2.459 0 40 DEAB CC[C@@H](NCc1ccccn1)c1ccccc1OCC(=O)NC 48750062 MHQQMQKVMULGAS-MRXNPFEDSA-N 313.401 2.447 0 40 DEAB CCCCN(C(=O)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5024465 XEEPBFJOIPJPAQ-CYBMUJFWSA-N 311.403 2.475 0 40 DEAB CSCC[C@H](NC(=O)N1CCCc2ccccc21)C(=O)O 13723350 NZFCNGDSJMGYPE-LBPRGKRZSA-N 308.403 2.355 0 40 DEAB CNc1snc(C)c1C(=O)NC[C@@H]1Cc2ccccc2O1 65428559 XEGFILFEVHNXHK-NSHDSACASA-N 303.387 2.227 0 40 DEAB Cc1noc2ncnc(N3CCN(c4ccccc4F)CC3)c12 8595874 OLOZQYQVUBTYTF-UHFFFAOYSA-N 313.336 2.392 0 40 DEAB O=c1n(Cc2ncc(-c3ccccc3)o2)nnn1-c1ccccc1 14241124 UIBOUZAINBYWPI-UHFFFAOYSA-N 319.324 2.132 0 40 DEAB CC(C)c1nc2c(n1C)CCN(CCC(=O)NC1CCCC1)C2 69625010 MGMWZAPFRAXQOV-UHFFFAOYSA-N 318.465 2.351 0 40 DEAB COCCOc1ncccc1C(=O)Nc1ccc(Cl)nc1 69705352 MKSLFRLTIXRTIB-UHFFFAOYSA-N 307.737 2.408 0 40 DEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2C[C@H]2C)n1 6832221 AUBVBJNLJNZQBH-GHMZBOCLSA-N 313.361 2.205 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1Cc1cc(F)cc2cccnc12 69900441 VCQPGUPFCRJNBJ-AAEUAGOBSA-N 301.365 2.460 0 40 DEAB CNS(=O)(=O)CCCSc1nc2ccc(Cl)cc2[nH]1 69975698 GVDJQLIUXWXNKU-UHFFFAOYSA-N 319.839 2.248 0 40 DEAB COc1cccc(SCC(=O)N2CCN(C3CC3)CC2)c1 67630361 PTPPAMDUAUJYRO-UHFFFAOYSA-N 306.431 2.094 0 40 DEAB CC(C)n1ccc(CC(=O)NC[C@@H](C)CN2CCCCC2)n1 71916697 FALAHXUKQPNTSY-OAHLLOKOSA-N 306.454 2.245 0 40 DEAB CCc1ccc(-c2noc(CNC(C)(C)C(=O)N(C)C)n2)cc1 71907362 NAJLBYSYFFCHQH-UHFFFAOYSA-N 316.405 2.255 0 40 DEAB Cc1nc([C@@H](C)NC(=O)NCCNC(=O)C2CCCC2)cs1 75607105 LDKUOXLKRIBWHV-SNVBAGLBSA-N 324.450 2.118 0 40 DEAB Cc1nnc(-c2ccccc2NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)o1 71285508 ZPNIIJWHFZXZBC-VXGBXAGGSA-N 315.329 2.340 0 40 DEAB COCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)CC(C)C 9237599 GIVLPUWWTKNJFG-UHFFFAOYSA-N 316.401 2.468 0 40 DEAB O=C(CC1(O)CCCC1)NCc1cccnc1N1CCCCC1 76017713 OTPQBJJQECFFSR-UHFFFAOYSA-N 317.433 2.383 0 40 DEAB Cn1cc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cn1 96305158 NDNMWENOMAZCEU-LFYBBSHMSA-N 319.267 2.366 0 40 DEAB O=C(Nc1cnn(CC(F)F)c1)c1c(O)cc(F)cc1F 96421724 REFNUYUFYSZBAO-UHFFFAOYSA-N 303.215 2.384 0 40 DEAB CN(C)c1cc2c(nn1)CCN(C(=O)[C@@H]1CCc3ccccc31)C2 71860239 PWZTZWDMLWIRLW-MRXNPFEDSA-N 322.412 2.157 0 40 DEAB COC(=O)NCc1ccc(NC(=O)c2ccc(C)n2C)cc1 72287147 IVXOZEFJTZYYDV-UHFFFAOYSA-N 301.346 2.442 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)n1cccn1 72234076 JLJSUZGOUWWZRR-ZIAGYGMSSA-N 301.394 2.158 0 40 DEAB COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 72283215 IETPGPIUQOOBEY-GFCCVEGCSA-N 324.808 2.472 0 40 DEAB Cc1ccc(NC(=O)N2CCN(Cc3nnc(C)o3)CC2)cc1 97081879 KXUGAKWRQGJGJJ-UHFFFAOYSA-N 315.377 2.036 0 40 DEAB Cc1cc(NS(=O)(=O)c2cc(Cl)cc3c2OCC3)no1 97085655 QIGCOFSTYDCINA-UHFFFAOYSA-N 314.750 2.372 0 40 DEAB O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1CCCn1ccnc1 97114886 KARHQFUJADFRKY-AWEZNQCLSA-N 315.348 2.030 0 40 DEAB Cc1ccnc(NC[C@H]2CCN(Cc3ccc(C(N)=O)cc3)C2)c1 97200728 LYZRJCRCPUYJOZ-MRXNPFEDSA-N 324.428 2.423 0 40 DEAB Fc1cccnc1N1CCN(Cc2cn3ccccc3n2)CC1 84483114 NCTIRXHNODLQAE-UHFFFAOYSA-N 311.364 2.191 0 40 DEAB c1ccc(-c2nnc3ccc(N4CC[C@]5(CCOC5)C4)nn23)cc1 95410710 HWCYIJWYRMJILT-SFHVURJKSA-N 321.384 2.408 0 40 DEAB C[C@@]1(CNC(=O)NCc2nc(-c3ccco3)n[nH]2)CCCS1 95412543 MPNAFNRULQAOEZ-AWEZNQCLSA-N 321.406 2.150 0 40 DEAB C[C@@H](CO)NC(=O)NCCCO[C@@H]1CCCc2ccccc21 73221236 WVEPKKTYMSJPEF-XJKSGUPXSA-N 306.406 2.151 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CSC(=O)N2)c(OCC2CC2)c1 88201205 XXLXEDGQBGIVKM-ZDUSSCGKSA-N 320.414 2.225 0 40 DEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)CC1CC1 95953244 ZVKWXNZKQJIJIR-KRWDZBQOSA-N 300.402 2.391 0 40 DEAB CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(OC)c1)C(=O)O 95969878 QIBSCBHHGBNZGW-PUPMMZHASA-N 305.374 2.414 0 40 DEAB CC(C)Oc1cccc(CC(=O)NC2(CCO)CCOCC2)c1 95997291 GHSSHKMIFCVOPZ-UHFFFAOYSA-N 321.417 2.064 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1O 95997836 PVXZSBDUTUZKRB-HNNXBMFYSA-N 316.401 2.364 0 40 DEAB COCC(C)(C)NC(=O)c1sc(-c2cnn(C)c2)nc1C 95959817 VFPRDWLPGODJLH-UHFFFAOYSA-N 308.407 2.007 0 40 DEAB Nc1nc(Cl)nc2cc(I)ccc12 26899406 XDHRXINRZRSOIN-UHFFFAOYSA-N 305.506 2.470 0 40 DEAB Cc1csc(NC(=O)CCSc2ccc3nncn3n2)n1 524733618 YRXXPGBRWVUDFC-UHFFFAOYSA-N 320.403 2.010 0 40 DEAB COc1ccc(-c2noc(CC3CCNCC3)n2)cc1OC 72328580 ZMYXPUAKDUBJER-UHFFFAOYSA-N 303.362 2.296 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1ccncc1)c1noc(C)n1 70982458 QBOOTBPTDPNINM-HNNXBMFYSA-N 324.340 2.301 0 40 DEAB CCn1ncc(-c2nn3c(-c4cccnc4)nnc3s2)c1C 61721015 HVWFWWKXCRFIAA-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB COc1ccc(-c2cc3c(cc2CC(=O)O)OCCO3)cn1 520839655 NDBPYTSXOCZSSL-UHFFFAOYSA-N 301.298 2.156 0 40 DEAB COCCOc1ccc(NC(=O)C2(OC)CCCC2)c(C)n1 225887620 KNJKNRUTRKOPMD-UHFFFAOYSA-N 308.378 2.313 0 40 DEAB CCS(=O)(=O)N[C@H](C)c1noc(-c2ccc(Cl)cc2)n1 80279454 WSPQXAOABZBMLE-MRVPVSSYSA-N 315.782 2.390 0 40 DEAB COC[C@@H](C)NC(=O)C1CCN(Cc2sccc2C)CC1 199419772 YXSDMZDCJPYOEG-CYBMUJFWSA-N 310.463 2.420 0 40 DEAB O=c1[nH]ncc(NCc2cnn(Cc3ccccc3)c2)c1Cl 44976265 ZFIYRLJRUITCTD-UHFFFAOYSA-N 315.764 2.280 0 40 DEAB O=C(Cc1noc2ccccc12)NCc1cnn2ccccc12 75162691 OQDFVNHZQWCTHF-UHFFFAOYSA-N 306.325 2.334 0 40 DEAB COCCOc1cccc(NC(=O)N[C@]23C[C@H]2COC3(C)C)c1 528925555 YKHLYLBMFKCDDU-YVEFUNNKSA-N 320.389 2.401 0 40 DEAB O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC(CC(F)F)C1 575742702 QMYWCDBYADUZBR-HNNXBMFYSA-N 323.387 2.407 0 40 DEAB Cc1cccc2c1[C@H](C)C[C@H]2NC[C@@H]1CCN(S(C)(=O)=O)C1 90797318 RQYVGAHFIUUQAZ-IJEWVQPXSA-N 322.474 2.414 0 40 DEAB O=C(N1CCCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 96038706 JWUZKWCDSDMYDE-NVXWUHKLSA-N 320.458 2.352 0 40 DEAB Cc1ccc([C@H]2[C@@H](C(=O)N3CCSCC3)CC(=O)N2C)cc1 96181396 YJAIDNNEJWYEID-HOCLYGCPSA-N 318.442 2.090 0 40 DEAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2 96116200 KJTDPTPNDROPCQ-NSHDSACASA-N 305.330 2.128 0 40 DEAB biogenic O=C(C1CC1)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238777 HFUODXKQCNWZAG-KRWDZBQOSA-N 302.349 2.191 0 40 DEAB CCOC[C@H]1CN(C(=O)c2ccc(C)o2)Cc2cn(C)nc21 96044695 CGUKDQCRGVVRCE-CYBMUJFWSA-N 303.362 2.098 0 40 DEAB Cc1nc(S)sc1CC(=O)N1CCO[C@@H]2CCCC[C@H]21 49342098 LTJZPDVOWKRJPZ-GHMZBOCLSA-N 312.460 2.453 0 40 DEAB C[C@H](c1ccccc1)n1ccc(NC(=O)c2ccc(=O)n(C)c2)n1 96471206 HAWKLEXXQHSHDE-CYBMUJFWSA-N 322.368 2.443 0 40 DEAB Cc1cc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)no1 257279956 OIWUJJVPZMJSAZ-MRXNPFEDSA-N 316.361 2.119 0 40 DEAB CN(C)C(=O)CN1CCOC[C@H](Cc2cccc3occc23)C1 257229069 FWOYQZSWLPYLMP-CQSZACIVSA-N 316.401 2.012 0 40 DEAB CCOC[C@@H]1CCOC12CN(Cc1ccc3c(c1)OCO3)C2 253382810 JIPIQWJCKKBURR-AWEZNQCLSA-N 305.374 2.043 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3c(s2)CCC3)n1 257344748 ZYNMIUBUGAWOTC-LBPRGKRZSA-N 317.414 2.482 0 40 DEAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2cncs2)C1 257252745 JVZRSTKMYQBCFN-GFCCVEGCSA-N 302.403 2.401 0 40 DEAB Cc1ccc([C@H](CNc2ncnc3c2ncn3C)N(C)C)cc1 624504174 GQQLZESSWNOVKF-AWEZNQCLSA-N 310.405 2.387 0 40 DEAB O=C(CSc1ncn[nH]1)NCC1(c2ccccc2)CCC1 42142207 OSLYVJUTGJURAK-UHFFFAOYSA-N 302.403 2.135 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)Nc2nnc(C)s2)n1 44971727 IRQYZEZMNXTXFF-MRVPVSSYSA-N 308.411 2.118 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1 55580790 SZCVLCYHRZCBJE-UHFFFAOYSA-N 323.349 2.426 0 40 DEAB CC(=O)c1cc(C(=O)N[C@@H](C)CN(C)c2ccccc2)n(C)c1 65925382 KLAQSFREWPNDKL-ZDUSSCGKSA-N 313.401 2.482 0 40 DEAB C[C@@H](OCC1CC1)C(=O)Nc1cccc(-c2nncn2C)c1 68352699 YRNYSSPDUSLSCT-LLVKDONJSA-N 300.362 2.236 0 40 DEAB c1ccc(-n2ncc3c(N4CCN(C5CC5)CC4)ncnc32)cc1 65411547 HALLSBHKZVXRCN-UHFFFAOYSA-N 320.400 2.100 0 40 DEAB Cc1ccnc(N2CCN(Cc3cc(F)cc(F)c3)CC2)n1 1204232943 VKRNUFDJOFQXRY-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB CSc1ncc(C(=O)NC(C)(C)CN2CCC[C@@H](C)C2)cn1 12203331 JCCQKBNFUHGBEX-GFCCVEGCSA-N 322.478 2.439 0 40 DEAB C[C@H]1CCc2nn(CC(=O)Nc3ccc(F)cc3)c(=O)cc2C1 12414924 VBDNFFOQMKEOIX-NSHDSACASA-N 315.348 2.146 0 40 DEAB CCc1nnc(SCC(=O)NCc2ccccc2)n1CC 13992613 WTJRLERAWRYIEV-UHFFFAOYSA-N 304.419 2.269 0 40 DEAB COc1cc(CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1 16310363 IOWLYCAEDGOCHB-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB COC(=O)c1coc(Cn2ccnc2[C@H](O)c2ccccc2)c1 154743643 YCCYMZXIEOWSPO-OAHLLOKOSA-N 312.325 2.393 0 40 DEAB CCn1nccc1CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 154894896 XTIHRTRBJPRVAI-CYBMUJFWSA-N 308.426 2.392 0 40 DEAB COc1ccc(S(=O)(=O)NCCCN(C)C)c2ccccc12 18005012 HUGMICPTCAOHMP-UHFFFAOYSA-N 322.430 2.078 0 40 DEAB C[C@H](OC(=O)c1cccc(Cl)c1N)C(=O)NCc1ccco1 22988829 ZEONKANUBXLDGI-VIFPVBQESA-N 322.748 2.377 0 40 DEAB COc1cccc(NC(=O)N2CCCN([C@H]3CCOC3)CC2)c1 1565522829 RWRGKVQCSJMYPF-HNNXBMFYSA-N 319.405 2.024 0 40 DEAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@]1(C)C[C@@]2(C)CC1=O 4577633 BMYHFWLOJVCQEQ-DTTOXWODSA-N 313.353 2.190 0 40 DEAB CCC(=O)Nc1ccc(SCc2ccc(C(=O)OC)o2)nn1 11739002 MQMZKTBKURMFKD-UHFFFAOYSA-N 321.358 2.497 0 40 DEAB CSc1ccc([C@@H](O)CNc2ncnc3c2cnn3C)cc1 1775972669 QMICHUDGGRSIKP-ZDUSSCGKSA-N 315.402 2.231 0 40 DEAB O=C(NC[C@]1(O)C=CCCC1)c1ccc(Br)o1 585146637 OOVQVXFBEITNTP-LBPRGKRZSA-N 300.152 2.243 0 40 DEAB CCc1nn2c(=O)cc(CN3CCC[C@H](CC)C3)nc2s1 30143897 FVOHRMCVNWIJPZ-NSHDSACASA-N 306.435 2.335 0 40 DEAB C[C@@H]1CN(C(=O)COCc2nc3ccccc3s2)C[C@@H](C)O1 40464629 MEDTUOYTILZQQX-VXGBXAGGSA-N 320.414 2.449 0 40 DEAB Oc1ccc(-c2cn3nc(N4CCOCC4)sc3n2)cc1 1414180 FLAWCKSJYUCTFH-UHFFFAOYSA-N 302.359 2.000 0 40 DEAB O=C1SCCN1CC(=O)N1CCCc2c(F)cc(F)cc21 40516335 YAINUCIJQOHMHL-UHFFFAOYSA-N 312.341 2.413 0 40 DEAB O=C(NC1CC1)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 3569811 HDCRWUSHXKSJGB-UHFFFAOYSA-N 316.382 2.380 0 40 DEAB O=C(c1cnc2ccccn2c1=O)N1CCCc2ccccc21 4076846 WFTDCVJBPHFZKZ-UHFFFAOYSA-N 305.337 2.288 0 40 DEAB C[C@H](c1ccccc1)n1cc(C(=O)NCc2ccccn2)nn1 4093360 OHRATARZZNZJER-CYBMUJFWSA-N 307.357 2.212 0 40 DEAB COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCSC1 4941065 MMRPEGCIUDNAES-UHFFFAOYSA-N 307.824 2.352 0 40 DEAB C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)C[C@@H](C)O1 11666756 HQDDSLGKGCTLKU-GPCCPHFNSA-N 323.776 2.057 0 40 DEAB CCc1ccc(CNC(=O)N2CCC(N(C)C(C)=O)CC2)s1 101792246 GLKXPDRGDQRSPP-UHFFFAOYSA-N 323.462 2.463 0 40 DEAB CN(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 32780830 PEZKVKCGDVUYAX-SJLPKXTDSA-N 310.397 2.409 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)/C=C/c1cnn(-c2ccccc2)c1 32913240 QZYDPKSULNNPEJ-HVHJFMEUSA-N 321.384 2.287 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)c1oc2ccc(OC)cc2c1C 9722911 ITTMTWYYMZXVED-NSHDSACASA-N 318.373 2.394 0 40 DEAB CC(C)(C)OC(=O)N1CCN([C@H](CN)c2ccc(F)cc2)CC1 20179246 RMXUHKONZAXAQJ-OAHLLOKOSA-N 323.412 2.378 0 40 DEAB Cn1cnn(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1=S 29896452 ILCBEVRUYKGAST-CYBMUJFWSA-N 308.382 2.121 0 40 DEAB COc1cc(C)nc(NC(=S)N(C)C(=O)c2ccccc2)n1 520157 FDZKCQSEXXLYPM-UHFFFAOYSA-N 316.386 2.263 0 40 DEAB Cc1cc(CN2CCN(C(=O)Cc3ccccc3F)CC2)on1 53353792 SFQCLGIQSLOPDY-UHFFFAOYSA-N 317.364 2.009 0 40 DEAB CC(=O)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 42036356 OSZZIFTYJCEMDY-SNVBAGLBSA-N 312.295 2.474 0 40 DEAB O=C(c1ccccc1)[C@H](C(=O)N1CCCCC1)n1ccccc1=O 819371 WJOUKXWMSJAPEF-QGZVFWFLSA-N 324.380 2.285 0 40 DEAB CN(C)CCOC(=O)c1cccc(COCC(F)(F)F)c1 2751680 FWRPQOGYNACCHQ-UHFFFAOYSA-N 305.296 2.484 0 40 DEAB O=C1CCc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc2N1 23043499 ZAOVFBFFWZQCQY-UHFFFAOYSA-N 321.329 2.478 0 40 DEAB CCCCn1nc(C(=O)NCc2ccc(C)c(F)c2)ccc1=O 24284573 OIBMFGIJXTZDNW-UHFFFAOYSA-N 317.364 2.421 0 40 DEAB CCCCNC(=O)NCc1ccc(Cn2ccccc2=O)cc1 55086221 QURLFODIODAXRO-UHFFFAOYSA-N 313.401 2.496 0 40 DEAB C[C@@H]1[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)CCC[C@H]1C 108926310 GEVGUBGXFJVHDY-IPYPFGDCSA-N 313.401 2.337 0 40 DEAB COc1ccc(OCCNc2ccc(F)c(C(N)=O)c2)cc1 55850532 DXXTYYBFHCUUES-UHFFFAOYSA-N 304.321 2.424 0 40 DEAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1ccc(=O)[nH]c1 57093737 UOJBFZUGOBOKEC-ZDUSSCGKSA-N 314.389 2.134 0 40 DEAB CNc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1 3321271 WZZOAMQNYRIVJS-UHFFFAOYSA-N 324.380 2.470 0 40 DEAB CCCc1nc(Cn2c(-c3ccccc3C)noc2=O)no1 58280172 IYVVRKKZAFUOOY-UHFFFAOYSA-N 300.318 2.196 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)c(Cl)c1 58292082 LUYXSVSUFKGKCH-UHFFFAOYSA-N 317.794 2.301 0 40 DEAB Cc1nc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)sc1C 58368311 FSAATUCVBOXDCE-RNCFNFMXSA-N 311.432 2.152 0 40 DEAB CN(C)c1ccc(C(=O)NCCC(=O)N2CCCCCC2)cc1 58357982 DTFGKNQDIROQGB-UHFFFAOYSA-N 317.433 2.275 0 40 DEAB O=C([C@@H]1CCCO1)N1CCCN(Cc2ccccc2F)CC1 58307950 ICTFOSDIGMBBNE-INIZCTEOSA-N 306.381 2.039 0 40 DEAB Cn1ccc(NC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 58394324 KHHKRZLQYFESLD-LLVKDONJSA-N 308.382 2.006 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)Cc2cccs2)cc1F 36394864 RZUMEFGOBSNMAY-UHFFFAOYSA-N 320.389 2.284 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)CCOc2ccccc2Cl)C1 62913157 SEOXZRWSLOSNFO-HNNXBMFYSA-N 311.765 2.432 0 40 DEAB O=C(NCC1(O)CCCCC1)Nc1cccnc1N1CCCC1 69439301 HCTLMCJBVXWUOQ-UHFFFAOYSA-N 318.421 2.499 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 7848140 ADFIPPHDDURCRO-UHFFFAOYSA-N 315.348 2.319 0 40 DEAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)C1CCC1 7973336 FEZWEOFGEDHIRQ-UHFFFAOYSA-N 300.280 2.301 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cnccn1 68889810 JOMXZCCVQAVIFP-AWEZNQCLSA-N 300.362 2.027 0 40 DEAB Cc1ccc(N2C[C@@H](C(=O)NCCCOC(C)C)CC2=O)cc1 4384609 CHQZBEOYZLZLPB-HNNXBMFYSA-N 318.417 2.279 0 40 DEAB O=C(CN1CCC[C@H]1CN1CCCCC1)NCc1ccccc1 69077898 NWXJZLFMPZDFDF-SFHVURJKSA-N 315.461 2.253 0 40 DEAB CCn1nnnc1SCC(=O)Nc1cc(Cl)ccc1F 14013399 QNQATBHNLLIMDL-UHFFFAOYSA-N 315.761 2.216 0 40 DEAB O=C(Nc1ccccc1OCCn1ccnc1)[C@@H]1CCCO1 65564172 PRADDDKWAOQDSB-HNNXBMFYSA-N 301.346 2.080 0 40 DEAB Cc1ccc(C)c(OCC(=O)NN2C(=O)c3ccccc3C2=O)c1 4575082 BWGLDRIHRROTNS-UHFFFAOYSA-N 324.336 2.010 0 40 DEAB Cc1nn2c(=O)c(NC(=O)c3ccc(Cl)cc3)cnc2s1 4784038 CDYNJYJDFHBRGN-UHFFFAOYSA-N 320.761 2.365 0 40 DEAB CC[C@@]1(C)Cc2c(sc3c2C(NN)=N[C@@H](SC)N3)CO1 4811985 WUDIAMAPLHOFLU-OLZOCXBDSA-N 312.464 2.272 0 40 DEAB Cc1ccc(C)c(C(=O)COC(=O)c2nc3nccc(C)n3n2)c1 5884957 LALCLVBLXWUVDJ-UHFFFAOYSA-N 324.340 2.089 0 40 DEAB CN(C)c1ccc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cn1 69568654 DXXBJSSLUFGIOL-OAHLLOKOSA-N 317.437 2.240 0 40 DEAB c1ncn(C[C@H]2CCCN2Cc2nc(-c3ccsc3)no2)n1 69620714 RGGHMCPSWIYPPI-GFCCVEGCSA-N 316.390 2.054 0 40 DEAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCc2c(ncn2C)C1 69742687 MRFQIJKLWCQXAV-CQSZACIVSA-N 324.428 2.146 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1ccc(C)nc1 69872149 LDSAASRJMSNETF-SJORKVTESA-N 301.434 2.408 0 40 DEAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1ccc(C(N)=O)nc1 89702018 SPFCYBYEKZRZPA-QWRGUYRKSA-N 301.371 2.293 0 40 DEAB Cc1cc(C(=O)NCC(=O)N2CCC[C@H]2c2ccc[nH]2)c(C)o1 84081534 PJIWUTDGVCFAIU-HNNXBMFYSA-N 315.373 2.318 0 40 DEAB CNc1nc(C(=O)N(C)[C@H](CCO)c2ccccc2)cs1 96003117 UEXCHHXHEQUPLR-CYBMUJFWSA-N 305.403 2.381 0 40 DEAB CC[C@@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1n[nH]c(O)n1 75410087 MDGYESZXJPSDBW-QWHCGFSZSA-N 300.362 2.227 0 40 DEAB CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@H](C)c1cccnc1 96440889 SNRGRKDYJXXGGW-QWHCGFSZSA-N 306.410 2.087 0 40 DEAB CNc1cc2c(nn1)CCN(C(=O)c1cc(C)sc1C)C2 71860120 RGKZGVWVGKJUFI-UHFFFAOYSA-N 302.403 2.395 0 40 DEAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2ncc(C)s2)o1 72241087 SLGSBFIWQUYPFW-GFCCVEGCSA-N 319.386 2.483 0 40 DEAB Cc1nc([C@H](C)NC(=O)N[C@H](C)C(=O)NC(C)(C)C)cs1 72271592 SBYJXELIZNIEQY-DTWKUNHWSA-N 312.439 2.115 0 40 DEAB Cc1cc(C(=O)OCc2nc3ccc(F)cc3o2)cc(=O)[nH]1 97037845 UPYZKCVXKQQDIO-UHFFFAOYSA-N 302.261 2.321 0 40 DEAB Cc1cnc([C@H](C)CNC(=O)N[C@@H]2CC[C@H](N(C)C)C2)s1 97110449 XWDHKNXCABSOKY-RTXFEEFZSA-N 310.467 2.337 0 40 DEAB Cc1ccc(-n2cc(S(=O)(=O)Nc3cccnc3)cn2)cc1 72303846 HPHFEVZSMVOKMZ-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB C[C@@H](N)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 97234206 YHIZYRFWZCMAJC-SFYZADRCSA-N 307.341 2.215 0 40 DEAB C[C@@H](CNCc1ncnn1C)c1cccc(Br)c1 97230464 SZIKSCCOPQKNSG-JTQLQIEISA-N 309.211 2.471 0 40 DEAB CC(C)=CC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1=O 95397788 INTGYQUARBLDHP-LLVKDONJSA-N 324.327 2.476 0 40 DEAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCOC2(CCCC2)C1 95421844 PUVURKVZKJHZJN-GFCCVEGCSA-N 306.410 2.144 0 40 DEAB COCCCNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 95943119 CSEXEDUFVMVKEM-ZDUSSCGKSA-N 311.451 2.173 0 40 DEAB CCC[C@@H](C)c1cc(NS(=O)(=O)c2cnn(CC)c2)n[nH]1 79106578 GFQGPUFYJQPOPB-SNVBAGLBSA-N 311.411 2.331 0 40 DEAB Cn1nc(-c2ccccc2Cl)cc1C(=O)N=c1[nH]cc[nH]1 79481637 MYAWWRUHCPGKSH-UHFFFAOYSA-N 301.737 2.138 0 40 DEAB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCc1ccncc1 67889760 YZIMUANBWYYYQG-PBHICJAKSA-N 315.417 2.351 0 40 DEAB biogenic,in-vitro Cc1c(F)cccc1NC(=O)C1CCN(C(=O)N(C)C)CC1 73392924 KGMPWAFXLAFLBZ-UHFFFAOYSA-N 307.369 2.466 0 40 DEAB COc1ccc([C@@H]2[C@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 72242098 SETYCMRVBIHVAK-NVXWUHKLSA-N 318.417 2.377 0 40 DEAB COC(=O)c1ncn(Cc2nc(-c3cccs3)oc2C)n1 78995506 DLCCRHJIJJGJFO-UHFFFAOYSA-N 304.331 2.138 0 40 DEAB COC(=O)c1ccc(-c2noc(CCc3cnn(C)c3)n2)cc1 78775026 LEMFILOJRRUIDW-UHFFFAOYSA-N 312.329 2.042 0 40 DEAB C[C@]1(C(=O)NCc2cccnc2)CC(c2ccc(F)cc2)=NO1 226749345 RMPHBACFCRHIIE-QGZVFWFLSA-N 313.332 2.420 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1 339579600 DUZSAIMXTYFTRS-UHFFFAOYSA-N 312.369 2.018 0 40 DEAB CC(C)N1C[C@@H]2C[C@@H](CC(=O)NCc3cccs3)O[C@@H]2C1 96208178 BOCOSXISEAOOSS-KCQAQPDRSA-N 308.447 2.252 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)CCCc1cccs1)CC2 97198479 MUNFBYALKUXULH-GFCCVEGCSA-N 304.419 2.102 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)C1(c2ccccc2F)CC1 96412357 FUDOICGBMXVQHQ-UHFFFAOYSA-N 322.380 2.498 0 40 DEAB Cc1cc(C(=O)Nc2cc(N(C)C)ncn2)nn1[C@@H](C)C1CC1 333915096 YUMYVRVRZWFVST-NSHDSACASA-N 314.393 2.271 0 40 DEAB CC(=O)N1CCC[C@@]2(CN(Cc3ccc(F)cc3)CCO2)C1 96049108 TXPPICLIYYPGLG-QGZVFWFLSA-N 306.381 2.039 0 40 DEAB O=C(c1ncccc1O)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 97102397 KZNNIUOCXWGPES-OAHLLOKOSA-N 316.332 2.265 0 40 DEAB COc1cc([C@H](OCC(=O)O)C(F)(F)F)cc(OC)c1OC 95096383 IIUMXURAMXMOGH-LBPRGKRZSA-N 324.251 2.417 0 40 DEAB CN(C)C(=O)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 96226277 AHFUZKPLUALWAR-QGZVFWFLSA-N 321.396 2.179 0 40 DEAB CC[C@H]1N(Cc2ccc3c(c2)OCO3)CCC[C@]12CCC(=O)N2 96070413 IRCZAABQTLDAET-AEFFLSMTSA-N 316.401 2.439 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)C2 97199089 IGSPAFZDTQXZFT-CYBMUJFWSA-N 315.421 2.196 0 40 DEAB CC(C)c1ccc(NC(=O)CCNC(=O)c2ccnn2C)cc1 96192382 RZGQGNNFPFXGHM-UHFFFAOYSA-N 314.389 2.302 0 40 DEAB CS(=O)(=O)N1CCC[C@]12CCCN(Cc1ccsc1)C2 96215010 MIZFLAJWNJLYIP-AWEZNQCLSA-N 314.476 2.138 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)C1 41129723 BDBQPXIIURXYJW-YWNRKNDBSA-N 313.184 2.340 0 40 DEAB CCn1nc(C)c(CNCc2cc(C(F)(F)F)nn2C)c1F 256050178 DBGIZHYPLVVADG-UHFFFAOYSA-N 319.306 2.393 0 40 DEAB CNc1cc(C)nc([C@@H]2CN(Cc3cc(C)on3)CCO2)c1 257252349 JUNFWLYAIUSMRJ-INIZCTEOSA-N 302.378 2.302 0 40 DEAB CN1CCO[C@@](Cc2ccccc2)(C(=O)Nc2nccs2)C1 257225587 FGXBEIMFDLZSSO-MRXNPFEDSA-N 317.414 2.025 0 40 DEAB Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 257244014 IJMHMOXUJQRMMS-CQSZACIVSA-N 317.414 2.353 0 40 DEAB C[C@]1(O)CN(c2cnccn2)CC[C@@H]1Oc1cccc(F)c1 257225960 FIPFDPBONRLPPK-HOCLYGCPSA-N 303.337 2.024 0 40 DEAB CCc1nc(NC(=O)CNC(=O)c2ccsc2)sc1C 48924923 OJUXUOJKJSYSBQ-UHFFFAOYSA-N 309.416 2.444 0 40 DEAB CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cc(C)ncn2)C1 1548954551 VMRFAHODHJPTJQ-CABCVRRESA-N 301.394 2.087 0 40 DEAB O=S(=O)(N[C@@H]1CCCNC1)c1cccc(Cl)c1Cl 71397496 OZNGUYQYWKBZLX-MRVPVSSYSA-N 309.218 2.024 0 40 DEAB O=C(C1CCCCC1)N1CCN(C[C@H](O)c2ccco2)CC1 85436730 SEFLBUGXCDWECL-HNNXBMFYSA-N 306.406 2.038 0 40 DEAB C[C@H]1[C@@H]2[C@@H](c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C 13116331 FVKZTBYVXUIROP-MYPMTAMASA-N 316.405 2.053 0 40 DEAB CCc1nn2c(=O)cc(COc3ccc(OC)cc3)nc2s1 13367666 XREFCSOGSWEDAD-UHFFFAOYSA-N 317.370 2.301 0 40 DEAB COc1cc(CN2CCC(CCN)CC2)cc(OC)c1OC 15423985 MPBXADOUKIAZMR-UHFFFAOYSA-N 308.422 2.273 0 40 DEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccncc1)C(=O)C2 16779342 LGDPTCUQJFXBGD-NHYWBVRUSA-N 308.403 2.219 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCC[C@H](C)C2)cc1 3253542 YRIYZRYXJKVNIH-LBPRGKRZSA-N 318.373 2.060 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)Nc1nc(C)cs1 10554052 WYBHKDQOFBZUEL-UHFFFAOYSA-N 319.386 2.219 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)OCCO2 28090026 HGCMRWKQLPQOQM-UHFFFAOYSA-N 311.765 2.328 0 40 DEAB Cc1cccc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)c1 2070386735 SIZXHAXPGSZLMU-OAHLLOKOSA-N 308.447 2.041 0 40 DEAB O=C(c1ccc2ncsc2c1)N1CC(Nc2ccncn2)C1 606440681 PUGIYCQPAGZRIN-UHFFFAOYSA-N 311.370 2.023 0 40 DEAB COc1ccc(CNC(=O)[C@H](OC(C)=O)c2ccccn2)cc1 1345054 RPBQTXSJNDXFAJ-MRXNPFEDSA-N 314.341 2.011 0 40 DEAB CCO[C@@H](C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 40525177 DOMBNJBKLUVNRR-LBPRGKRZSA-N 307.394 2.258 0 40 DEAB C[C@@H](OC(=O)c1cc2c(s1)CCC2)C(=O)Nc1ncccn1 11508187 CEZDCPHLTZRIAM-SECBINFHSA-N 317.370 2.211 0 40 DEAB COc1ccc2ccc(OC)c([C@@H]3CC(=O)Nc4ncnn43)c2c1 6647295 OGZRMHKMKPTYES-ZDUSSCGKSA-N 324.340 2.380 0 40 DEAB OC1CCN(CCOc2cccc(Br)c2)CC1 32185172 SQZBAQZDHGURKC-UHFFFAOYSA-N 300.196 2.285 0 40 DEAB in-vitro CCNC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2nc1C 29282264 KSRFUGFHRRYUBJ-SNVBAGLBSA-N 318.402 2.265 0 40 DEAB Cc1ccc(NC(=O)CN(C)CC(=O)NC(C)(C)C)c(C)c1 7648747 QKIAYLMBKMHPIR-UHFFFAOYSA-N 305.422 2.088 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1C[C@@H](O)c1ccc(Cl)cc1 29303135 GGQIHFOIXWIPKE-CQSZACIVSA-N 316.744 2.077 0 40 DEAB Cc1nn(C)c(=O)c(N)c1-c1cc(-c2ccc(Cl)cc2)[nH]n1 104269741 APYIFUWUUOETCE-UHFFFAOYSA-N 315.764 2.381 0 40 DEAB CN(C(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C1CCCC1 102194122 WIKOHHUCZHUCJQ-UHFFFAOYSA-N 317.414 2.237 0 40 DEAB CN(CC(=O)Nc1ccccc1-c1cccs1)S(C)(=O)=O 46181868 GNMFOVNTHZECRL-UHFFFAOYSA-N 324.427 2.245 0 40 DEAB CCn1c(NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 29604992 ODNSPXOTCCENTO-LLVKDONJSA-N 312.373 2.006 0 40 DEAB O=C(O)C1=C[C@H](c2ccc(-c3ccccc3)cc2)n2nnnc2N1 101675748 AGEGMBHGYHPHDP-OAHLLOKOSA-N 319.324 2.324 0 40 DEAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(O)c1 2633390 ZPUYXGZBTFGZEH-UHFFFAOYSA-N 311.337 2.447 0 40 DEAB CCOC(=O)c1nnc2c(-c3ccccc3)c(CC)nn2c1N 9287636 CLCWODBMYAAZBZ-UHFFFAOYSA-N 311.345 2.113 0 40 DEAB Cc1ccc(-c2cnnc(NCc3cn4cccnc4n3)n2)o1 12317088 YKMWTFATBWTCIX-UHFFFAOYSA-N 307.317 2.095 0 40 DEAB COc1ccc(CC(=O)NCCCc2nc(C(C)C)no2)cc1 61458792 ZNQICDCLDCJAEW-UHFFFAOYSA-N 317.389 2.493 0 40 DEAB O=C(Nc1ccccn1)N1CC[C@@H](OCCN2CCCCC2)C1 89883855 FXAYFCXDZYBLOR-OAHLLOKOSA-N 318.421 2.190 0 40 DEAB O=C(NCc1nnc2n1CCC2)Nc1ccc(F)cc1Cl 43262824 YEVXACKDJMBXFH-UHFFFAOYSA-N 309.732 2.339 0 40 DEAB O=C1[C@H]2C=CC=C[C@H]2C(=O)N1CCc1c[nH]c2ccc(O)cc12 100249519 YKZAKWOJHOIPNI-OKILXGFUSA-N 308.337 2.143 0 40 DEAB COc1cccc(-c2noc(CN3C[C@H](C)OC[C@H]3C)n2)c1 89930147 BOWBILLFMAUVDB-NEPJUHHUSA-N 303.362 2.354 0 40 DEAB Cc1cc(CN2CCN(C(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)no1 106552935 AJGMPOPIWCURKC-JYJNAYRXSA-N 317.433 2.454 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)NCc1ccccc1 56336579 DOYKFJJNPRQJON-UHFFFAOYSA-N 312.417 2.355 0 40 DEAB O=C(NCCc1cn2ccccc2n1)NCCc1cccs1 26288049 FRYAGYLGAQMDCB-UHFFFAOYSA-N 314.414 2.480 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1ccc(OC)c(OC)c1 24486487 ANIRVZCXDGTGRS-UHTWSYAYSA-N 321.373 2.080 0 40 DEAB COCCCC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 44966822 ARJGCIPRYNMSDO-BETUJISGSA-N 307.394 2.060 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCCCC3)n2)s1 58329790 HNXJGUSVWAATKI-UHFFFAOYSA-N 317.414 2.293 0 40 DEAB Cc1cccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)c1C 28200084 YXIAMWAQFNTQSJ-HNNXBMFYSA-N 323.396 2.368 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)COc2nnc3ccccn23)c1C 12909053 HWRGMXLYGYTVCU-UHFFFAOYSA-N 312.329 2.139 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 13084272 BGMOYRKTMXRTJN-FZMZJTMJSA-N 321.373 2.467 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1nnc([C@@H]2CCCO2)s1 36357603 RZBRSLDYGKTLOQ-JTQLQIEISA-N 308.363 2.176 0 40 DEAB O=C(/C=C/c1cnccn1)NC1CCN(CC2CCCC2)CC1 63272173 VPSIUXFPNBOHPF-AATRIKPKSA-N 314.433 2.261 0 40 DEAB C[C@@H](CO)NC(=O)c1ccc2nc(-n3cccc3)sc2c1 13655367 OHPYPDAJBDLNJA-JTQLQIEISA-N 301.371 2.198 0 40 DEAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccco3)cc2c1 13770064 MQLIQPDQGBBAAQ-UHFFFAOYSA-N 312.325 2.402 0 40 DEAB COc1cccc(OC)c1OC[C@@H](C)CNC[C@@H]1CCCO1 4337767 ZFYZNUCKNAWSDJ-KBPBESRZSA-N 309.406 2.487 0 40 DEAB Cc1cc(CN2CCN(CCOc3cccc(F)c3)CC2)no1 69533775 ZNJBXTZACAOSMP-UHFFFAOYSA-N 319.380 2.319 0 40 DEAB CC(C)(NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1)C(=O)O 65430156 GRNBXJANPSDNGQ-UHFFFAOYSA-N 307.737 2.323 0 40 DEAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccc2[nH]nnc2c1 14084828 APWGXKPTGVBGEN-UHFFFAOYSA-N 320.356 2.197 0 40 DEAB CCC(CC)CN(CC)C(=O)c1cc(C)nc2c1c(=O)[nH]n2C 65592751 UPXBGJCEBIJCNW-UHFFFAOYSA-N 318.421 2.468 0 40 DEAB COc1ccc(-c2nc(CNC(=O)c3ccccc3)n[nH]2)cc1 69744946 MBNDKRDPLIZMDZ-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB CNC(=S)N(C)CCCc1cc(-c2ccccc2)n(C)n1 65711026 OZLICDRMZHWGFP-UHFFFAOYSA-N 302.447 2.456 0 40 DEAB CC(C)(C)c1nnc(Nc2ccc(F)c(Cl)c2)n(N)c1=O 6585068 GHKKBFPVRISAQX-UHFFFAOYSA-N 311.748 2.186 0 40 DEAB O=C(CCc1ccccc1O)N1CCN(c2nccs2)CC1 14350706 MQBAFUYYEFWRLC-UHFFFAOYSA-N 317.414 2.130 0 40 DEAB NC(=O)NC(=O)[C@@H](c1ccccc1)N1CCCc2ccccc21 7115053 HAPLKKREQGGXHM-MRXNPFEDSA-N 309.369 2.375 0 40 DEAB CN(C)c1cc(C(F)(F)F)nc(NC2(CO)CCCC2)n1 81012848 JOSQKEHKVQACQG-UHFFFAOYSA-N 304.316 2.278 0 40 DEAB CN(CCOc1ccc(Cl)cc1Cl)[C@]1(CO)CCOC1 96007182 KBZIEDPDKBWBHR-AWEZNQCLSA-N 320.216 2.455 0 40 DEAB Cc1nc([C@@H]2COCCN2C(=O)Cc2ccccc2Cl)no1 96000931 CUTAIIDRJNQDRE-ZDUSSCGKSA-N 321.764 2.174 0 40 DEAB Cc1c([C@H](C)NCCCNS(C)(=O)=O)oc2ccccc12 96476478 HLTCHZDVCGQNFL-LBPRGKRZSA-N 310.419 2.331 0 40 DEAB O=C(NO[C@@H]1CCCCO1)[C@H]1CCCN1Cc1ccccc1 72059784 URIVBKBOWZDJQR-HZPDHXFCSA-N 304.390 2.225 0 40 DEAB Cc1nccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)n1 75602353 OIOSFDQCWYMGPU-GFCCVEGCSA-N 319.796 2.458 0 40 DEAB C[C@H]1CCCN(c2ccccc2OS(=O)(=O)c2c[nH]cn2)C1 76018126 IPRWUMAYQBGNGR-LBPRGKRZSA-N 321.402 2.414 0 40 DEAB O=C1COc2cc(NC3CCN(c4ccccn4)CC3)ccc2N1 97113773 MVNDFULRIJWYKP-UHFFFAOYSA-N 324.384 2.493 0 40 DEAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](O)C1 72427670 KEGVYTIRQDTRSL-INIZCTEOSA-N 317.410 2.499 0 40 DEAB C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H]1N(C)C 78896629 LYVQQNOZMLTGGT-WBVHZDCISA-N 316.445 2.143 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@H]2CCCOC2)c2ccccc21 95401705 GDKVRSDSUFLOAN-AWEZNQCLSA-N 302.374 2.203 0 40 DEAB CC(C)C[C@H](C(=O)NCCN1CCCCC1)N1CCCCC1=O 79069687 XUBKRVFAWJUDMD-MRXNPFEDSA-N 323.481 2.016 0 40 DEAB CCc1cnc(CNC(=O)NCCc2ccc(O)cc2)s1 73948795 DALKEEUYXQYFNU-UHFFFAOYSA-N 305.403 2.453 0 40 DEAB COc1cc(CCC(=O)Nc2ccc(NC(C)=O)cc2)on1 79486478 JDMVWGYRZQKUEX-UHFFFAOYSA-N 303.318 2.213 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 95950662 JBRZTKCLDUJLDL-NSHDSACASA-N 319.386 2.144 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1ccc2ccccc21 9519989 CWJZKTIEGRHAKC-CQSZACIVSA-N 302.374 2.345 0 40 DEAB biogenic CC1=C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)O)c(C)c2)C1 505816669 ZNXUADSMNPSJDS-JTQLQIEISA-N 309.387 2.280 0 40 DEAB Cn1ncnc1SCc1cn(-c2ccc(F)c(Cl)c2)nn1 185765976 FIEDCZUUVVZRJC-UHFFFAOYSA-N 324.772 2.481 0 40 DEAB CC(C)n1ccc(CN2CC3(CCOCC3)CC[C@H]2CO)n1 528640624 PCXDWTWTSPGAGI-INIZCTEOSA-N 307.438 2.218 0 40 DEAB O=C1N(c2ccccc2)C[C@H]2CN(Cc3cccnc3)CCN12 77266510 XKZYNFGJGVWNIN-QGZVFWFLSA-N 308.385 2.208 0 40 DEAB biogenic,in-vitro Cc1nnnn1-c1cccc(C(=O)NCc2ccc(F)cc2)c1 71284520 JQVUAPNIGRLDFH-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB Cc1ccccc1CN1CCC(C(=O)N2CCOCC2)CC1 39755219 XVJAZEDJHGYLLX-UHFFFAOYSA-N 302.418 2.066 0 40 DEAB COc1ccc(N[C@@H](C)C(=O)Nc2ccnn2C(C)C)cn1 79029520 GEDGLXDCVYUHOJ-NSHDSACASA-N 303.366 2.307 0 40 DEAB OCCN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72343738 FJFHBKGXFIOJLX-AWEZNQCLSA-N 301.365 2.454 0 40 DEAB CNC(=O)c1ccc([C@H]2CN(C3CCCCC3)CCO2)nc1 72380865 PCPCZOCCEDOORV-MRXNPFEDSA-N 303.406 2.147 0 40 DEAB CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 41123233 AICLCFIAFOBNSJ-LBPRGKRZSA-N 317.393 2.021 0 40 DEAB CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CCC 225725956 QINCZSNMHAULFE-UHFFFAOYSA-N 314.432 2.161 0 40 DEAB CC1=CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 136175797 FPZBNFZQVVSNKM-CMPLNLGQSA-N 318.760 2.326 0 40 DEAB CCc1noc([C@H]2CCCN(C(=O)c3c(C)nn(C)c3C)C2)n1 40714400 MESGBSZOAOMCEL-LBPRGKRZSA-N 317.393 2.002 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc2[nH]nnc2c1 47189371 HLULUXCQDYZGAY-IAQYHMDHSA-N 302.378 2.283 0 40 DEAB O=S1(=O)CC[C@@H](CNC(=S)Nc2ccccc2Cl)C1 44665784 FDIDMRYHSNLGOC-VIFPVBQESA-N 318.851 2.061 0 40 DEAB C[S@](=O)c1ccc(NC(=O)NCCc2ccccn2)cc1F 80129560 NTPSKKMTRBFDQM-JOCHJYFZSA-N 321.377 2.322 0 40 DEAB O=C(NCc1cncc2c1CCN(CC1CC1)C2)c1ccco1 96067423 URQDNHSUKGGLFY-UHFFFAOYSA-N 311.385 2.373 0 40 DEAB Cc1cccc(NC[C@@H]2CCN(c3ncnc4c3cnn4C)C2)n1 97201003 IQRMPWPAGCFSLV-ZDUSSCGKSA-N 323.404 2.005 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(Cc4cncn4C)C3)CC2=O)cc1 96238483 RHHJFAPJMTZUAV-IBGZPJMESA-N 324.428 2.358 0 40 DEAB c1csc(CN2CCc3ncnc(NC4CCC4)c3CC2)n1 96255755 TTYVFOZVAPEUQB-UHFFFAOYSA-N 315.446 2.498 0 40 DEAB Cc1noc([C@H]2CCC3(CCN(C(=O)c4ccco4)CC3)O2)n1 96109937 OSSCQVUGJIANQE-GFCCVEGCSA-N 317.345 2.498 0 40 DEAB O=C(c1cccc(Br)c1)N1CC(N2CCCC2)C1 697776316 VJGZPSIRTXFLHB-UHFFFAOYSA-N 309.207 2.369 0 40 DEAB Cc1cc(CN2CC3(C[C@H](OCC4CC4)CS3)C2)n(C)n1 248032205 LMGIUISCNKVWFW-HNNXBMFYSA-N 307.463 2.215 0 40 DEAB CC(=O)NCc1cccc([C@@H]2CCCN2C(=O)c2cccnc2)n1 257206830 BFBMAYRMNWWPCX-KRWDZBQOSA-N 324.384 2.090 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]2NCCCC[C@@H]21 257329330 XJLFTPWZYXNUGG-CVEARBPZSA-N 305.422 2.357 0 40 DEAB O=S(=O)(CCc1ccccc1)NCC[C@H](O)c1ccccc1 85436462 XLLODVMADWIBDJ-KRWDZBQOSA-N 319.426 2.272 0 40 DEAB CCOCC(=O)N1CC[C@@](COc2ccccc2C)(OC)C1 585274965 SHDCXVPRKUOSKH-QGZVFWFLSA-N 307.390 2.028 0 40 DEAB Cc1cc(C(=O)NCCc2cn3c(C)cccc3n2)ns1 585140488 FWGVUEGWUYOUPF-UHFFFAOYSA-N 300.387 2.380 0 40 DEAB CCO[C@H]1COCC[C@H]1NC(=O)NCc1cccc2occc12 685938987 RYBCYEOQYFIJLN-ZBFHGGJFSA-N 318.373 2.426 0 40 DEAB COc1ccc(C(=O)NCCNC(=O)Nc2ccccc2)cc1 47321162 MWRLVGWZGDZZNZ-UHFFFAOYSA-N 313.357 2.247 0 40 DEAB C[C@@H](NC(=O)C1CCOCC1)C(=O)NC(C)(C)CC(C)(C)C 66821023 HZPQJCGBFRDXQD-GFCCVEGCSA-N 312.454 2.249 0 40 DEAB Nc1ccc(C[C@H]2CCCN(C(=O)Cc3ccccc3)C2)nn1 72387377 QFNPKAKMPJSGES-OAHLLOKOSA-N 310.401 2.083 0 40 DEAB Cc1n[nH]c([C@H]2CN(C(=O)c3sccc3C3CC3)CCO2)n1 76044713 RHKLIGWVKBBCOV-GFCCVEGCSA-N 318.402 2.266 0 40 DEAB CN(C)c1ncc(Br)cc1C(=O)NCC1CCC1 78680255 VDBAZDMYDOOFIH-UHFFFAOYSA-N 312.211 2.440 0 40 DEAB CCCNC(=O)N(CC)S(=O)(=O)c1ccc(Cl)cc1 1618707 IDWPUWOESPFVNC-UHFFFAOYSA-N 304.799 2.470 0 40 DEAB O=C(Nc1ncnc2sccc12)[C@@H]1COc2ccccc2O1 5299476 WMJXMQPYYPOGBP-LBPRGKRZSA-N 313.338 2.470 0 40 DEAB CCOC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 5904927 YKYWHJVZWKTUDA-HGSJOUDDSA-N 311.337 2.175 0 40 DEAB Cc1ccc2[nH]cc(NC(=O)NC[C@H]3CCCO3)c(=O)c2c1 13565928 WCLIUJWWSKWBJA-LLVKDONJSA-N 301.346 2.137 0 40 DEAB CC(=O)N1N=C(c2cccs2)Sc2c1ncn2C(C)=O 16777558 PHZHWAJVTWLVBF-UHFFFAOYSA-N 306.372 2.425 0 40 DEAB CC(=O)N1CC[C@@H](C(=O)NCC(C)(C)c2ccc(F)cc2)C1 19748079 RBYLKYOQBVPZBO-CYBMUJFWSA-N 306.381 2.088 0 40 DEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 169619874 VNRZMUSBXJXIPM-NOOOWODRSA-N 311.696 2.072 0 40 DEAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccnc2)C1=O 6327928 BJUOCCJKOJHVLQ-IZZDOVSWSA-N 306.343 2.070 0 40 DEAB CN(C)c1ccc(O[C@H]2CCN(C(=O)CC3CCCC3)C2)nn1 225444284 RJCADJLPLRISET-AWEZNQCLSA-N 318.421 2.103 0 40 DEAB c1cnc(OCC2CCN(c3cc(C4CC4)ncn3)CC2)cn1 1889096069 YKIICBYNDRAUHK-UHFFFAOYSA-N 311.389 2.439 0 40 DEAB COC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2cn(C)nc21 1204222179 WQHLPVKUQJRRJB-CYBMUJFWSA-N 307.344 2.444 0 40 DEAB 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OWNZLDXVEJQWRL-RWMBFGLXSA-N 323.462 2.063 0 40 DEAB Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)O 3881285 BSKLZAJYYTUMBV-UHFFFAOYSA-N 301.345 2.457 0 40 DEAB in-vitro CC(C)CN1CCO[C@@H](CNC(=O)c2c(F)cccc2F)C1 32270272 DKYKFPSEXPNYET-LBPRGKRZSA-N 312.360 2.051 0 40 DEAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1cccc2[nH]ccc12 101618632 BBSGGFYOXLATCS-RWMBFGLXSA-N 309.369 2.435 0 40 DEAB CCc1nccn1[C@@H]1CCCN(C(=O)COCC(F)(F)F)C1 75131031 ODPOEQCQXBRWAM-LLVKDONJSA-N 319.327 2.188 0 40 DEAB O=C(OCCCc1ccccc1)c1cccc(-n2cnnn2)c1 32667666 HZMQHKOOYUDQDC-UHFFFAOYSA-N 308.341 2.452 0 40 DEAB C[C@H](Sc1nc(COc2ccc(Cl)cc2)n[nH]1)C(N)=O 21262183 WKZDWWCSQAKPHA-ZETCQYMHSA-N 312.782 2.003 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)O 2649902 PNLYHBJRTHVJIN-UHFFFAOYSA-N 305.355 2.172 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)NC[C@@]2(O)CCSC2)c(C)c1 89612124 BLNNUXJCBYICRI-YOEHRIQHSA-N 322.474 2.402 0 40 DEAB COc1cccc(-n2ccc3nc(N4CCCC4)ncc3c2=O)c1 22608911 CLHGKIRFUMBEDX-UHFFFAOYSA-N 322.368 2.390 0 40 DEAB CONC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 53791362 COZLVQXAOIQEQD-AWEZNQCLSA-N 322.364 2.288 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccc(Br)cc1 37518035 JJSVRERXZLDOEU-XROYCOCOSA-N 312.163 2.347 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 102305741 YNTFPZKHCJCOIL-YDMUCJKGSA-N 317.385 2.359 0 40 DEAB CCCC(=O)NCC(=O)N1CCC[C@H]1c1cccc(OC)c1 54151532 HAMMEKVSQFPFME-HNNXBMFYSA-N 304.390 2.275 0 40 DEAB O=C1NC(=O)[C@@H]2[C@@H]1ON(c1ccc(Cl)cc1)[C@@H]2c1ccco1 100885156 JOZFRLCLDICRRS-XQQFMLRXSA-N 318.716 2.067 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@H](C)C2)cc1 22534021 URFZDXKMVFQHTM-LBPRGKRZSA-N 311.403 2.035 0 40 DEAB CCCc1nc(C)c(C(=O)N[C@H](C(N)=O)c2ccccc2)s1 42876690 RAWRFWDONIUSLE-ZDUSSCGKSA-N 317.414 2.360 0 40 DEAB Cc1ccc(-c2n[nH]cc2CNCC(C)(C)N2CCOCC2)o1 42903911 VVNJJRPZJFSNNI-UHFFFAOYSA-N 318.421 2.179 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCOc2ccccc21 43166126 VWBHRLNYWOJYLH-AWEZNQCLSA-N 300.362 2.085 0 40 DEAB O=C([C@H]1CCCN(c2ncccn2)C1)N1CCc2ccccc2C1 27605402 ISEGHECPFFEZMT-KRWDZBQOSA-N 322.412 2.278 0 40 DEAB C[C@@H]1CN(CCCNC(=O)Nc2ccccc2F)C[C@@H](C)O1 24989641 OITMCHWUPWTIQX-CHWSQXEVSA-N 309.385 2.447 0 40 DEAB CCOc1cc(-c2ccccc2)sc1C(=O)OCC(N)=O 56231811 DSSPOBXRIVGYRX-UHFFFAOYSA-N 305.355 2.456 0 40 DEAB C[C@H](O)CC(C)(C)CNC(=O)Nc1cnn(CC(F)(F)F)c1 76070533 KBRLDHWWVADZHA-VIFPVBQESA-N 322.331 2.364 0 40 DEAB O=C(c1ccc2c(c1)CCC2)N1CCN(C[C@@H]2CCCO2)CC1 57948648 OOJBQBNJSOUVFK-SFHVURJKSA-N 314.429 2.112 0 40 DEAB CC[C@H]1CCCCN1C(=O)CN1CCN(c2nccs2)CC1 44894406 HLFNSPBGCNJRLU-AWEZNQCLSA-N 322.478 2.056 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N(C)CC2CC2)c(Cl)c1 58268683 FTBLOLUMJPPFQY-UHFFFAOYSA-N 317.794 2.157 0 40 DEAB CN(C)c1ncccc1CNC(=O)Nc1nnc(C2CC2)s1 44944939 HSSQPYMZASCPBX-UHFFFAOYSA-N 318.406 2.198 0 40 DEAB C[C@H](CNC(=O)c1cccnc1)N1CCc2sccc2C1 44912140 HBSOTUMWMZHQLZ-GFCCVEGCSA-N 301.415 2.320 0 40 DEAB Cc1nnc(NC(=O)c2ccc3c(c2)NC(=O)CS3)s1 3336397 VLMVEOAZXADLHN-UHFFFAOYSA-N 306.372 2.143 0 40 DEAB C[C@@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccccn1 48230607 ZNGSUYUCPGOOSR-CYBMUJFWSA-N 319.430 2.183 0 40 DEAB CCCNC(=O)NC(=O)CN1CCC[C@@H]1c1ccc(F)cc1 12815709 SEZRYNOVXKLTHP-CQSZACIVSA-N 307.369 2.198 0 40 DEAB c1ccc(-n2nnnc2NCCc2ccc3c(c2)OCO3)cc1 12803806 NLGNVSJCZTYYRM-UHFFFAOYSA-N 309.329 2.046 0 40 DEAB COc1cccc(CNC(=O)COC(=O)c2ccccc2F)c1 6059188 MLDFODPPTOZOAQ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cc1cccc(Nc2nc(N3CCOCC3)c3cnn(C)c3n2)c1 4272787 HLLJLMGHPCKGNY-UHFFFAOYSA-N 324.388 2.252 0 40 DEAB FC(F)CN1CCN(Cc2ccc(-n3ccnc3)cc2)CC1 69489878 PVHSYXOVXGBPST-UHFFFAOYSA-N 306.360 2.255 0 40 DEAB COCCCN1C(=O)CC[C@@H](C(=O)O)[C@H]1c1cccc(F)c1 69492062 QOXBCINYYCMQBC-UKRRQHHQSA-N 309.337 2.227 0 40 DEAB CCCC(=O)NCC(=O)NCC1(c2ccc(F)cc2)CCC1 69536686 YIHAHPLBKKLELH-UHFFFAOYSA-N 306.381 2.280 0 40 DEAB Cc1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3C(=O)O2)no1 5205569 JPIVLFMYIUBUMD-NSHDSACASA-N 306.705 2.357 0 40 DEAB CN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1 4400759 BWDZIHJWKQVMSC-UHFFFAOYSA-N 324.380 2.439 0 40 DEAB COc1ccccc1C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 14072822 MJJFQRICBARPKJ-AWEZNQCLSA-N 303.289 2.218 0 40 DEAB C[C@@H](NCC(=O)NC(=O)NCc1ccccc1)c1cccs1 14169642 ACTIJGNWLHOUOP-GFCCVEGCSA-N 317.414 2.425 0 40 DEAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 4570343 VOSUHBRSMNYVQT-LLVKDONJSA-N 302.286 2.415 0 40 DEAB O=C(CCS(=O)(=O)c1ccccc1)N1CCc2ccccc21 4503017 IOTWVRZLLVXVIR-UHFFFAOYSA-N 315.394 2.440 0 40 DEAB NC(=O)N[C@@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 14203492 ASLDWGXCPQCFPP-KRWDZBQOSA-N 323.396 2.371 0 40 DEAB O=C1NC[C@H]2CN(Cc3cnc(C4CCCC4)s3)CCN12 91864305 JKIVPQQPASEHGS-LBPRGKRZSA-N 306.435 2.010 0 40 DEAB CC1CCC(NC(=O)COC(=O)c2ccc3c(c2)OCO3)CC1 6609729 GXFRQUHJSSXUGW-UHFFFAOYSA-N 319.357 2.267 0 40 DEAB CC1(NC(=O)NCc2nnc3ccccn23)Cc2ccccc2C1 92149094 VGBRWKGGFISJMY-UHFFFAOYSA-N 321.384 2.086 0 40 DEAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H]1Cn1cccn1 69923101 CPXGBUHCSPBZOS-CQSZACIVSA-N 323.356 2.238 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 7406997 DHWCBLOWMRBQQI-APIJFGDWSA-N 320.433 2.247 0 40 DEAB COC(=O)c1cccc(COC(=O)c2ccc(CO)cc2)c1 7430046 BAAANJDVWMTSFV-UHFFFAOYSA-N 300.310 2.323 0 40 DEAB COCCN1CC[C@H](CNC(=O)CCc2ccc(C)cc2C)C1 68493597 JMWPBCNMQQNRNK-QGZVFWFLSA-N 318.461 2.321 0 40 DEAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccccc1C(N)=O 9217717 KSMRIPFGAUFENE-UHFFFAOYSA-N 323.396 2.485 0 40 DEAB COC(=O)[C@H](NC(=O)c1cnn(C)c1)c1ccc2ccccc2c1 96009079 KFDDGZDNEVQCFC-MRXNPFEDSA-N 323.352 2.217 0 40 DEAB CC[C@@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)N(C)C 96009263 FHZULARCHIFRPS-HNNXBMFYSA-N 305.422 2.100 0 40 DEAB C[C@H](CCNC(=O)N(C)CC1CCOCC1)N1CCCCC1 96011054 QIJWBNBJQUYEJW-OAHLLOKOSA-N 311.470 2.319 0 40 DEAB CC(C)(CO)N1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 9306293 FODZHJLCTANCRR-UHFFFAOYSA-N 315.369 2.205 0 40 DEAB COc1cc(OC)c(NC(=O)N[C@H](C)[C@@H](C)CO)cc1Cl 71921082 JPRKNGVAYGXRTN-DTWKUNHWSA-N 316.785 2.496 0 40 DEAB COCCC(=O)NCC1(NC(=O)OC(C)(C)C)CCCCC1 72089308 GMGFWNVCRIVMFV-UHFFFAOYSA-N 314.426 2.367 0 40 DEAB O=c1[nH]c(CSC2=N[C@H]3CCCC[C@@H]3N2)nc2ccsc12 9548189 XKQQVHWELOCCTL-IUCAKERBSA-N 320.443 2.488 0 40 DEAB CSc1ccsc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 71884239 WOMWZRNKHHKORD-NSHDSACASA-N 320.439 2.296 0 40 DEAB C[C@H](NC(=S)NC1CC1)c1cccc(N2CCOC2=O)c1 71831282 RXNSPNLFNKELJV-JTQLQIEISA-N 305.403 2.331 0 40 DEAB CCOc1ccccc1CCC(=O)N[C@@H]1CCc2nccn2C1 72278509 WMQJTTAFNNENME-OAHLLOKOSA-N 313.401 2.346 0 40 DEAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccnc(-n2ccnc2)c1 97164131 PHIZMUKYMSPWKZ-HUUCEWRRSA-N 323.356 2.414 0 40 DEAB COC(=O)[C@@]1(F)CCN(C(=O)NC[C@H](C)c2cccs2)C1 84638344 KAMUGIUXKBFRAI-IINYFYTJSA-N 314.382 2.148 0 40 DEAB c1ccc(-n2ccc(CSCCN3CCOCC3)n2)cc1 95446213 GOUWQBNMATZXCZ-UHFFFAOYSA-N 303.431 2.438 0 40 DEAB COc1ccccc1C[C@H]1CCCN1c1cc(C(N)=O)ccn1 95407467 FYXVOHWIIIHXCZ-OAHLLOKOSA-N 311.385 2.401 0 40 DEAB CCN1CCCN(C(=O)NC[C@@H](OC)c2ccc(F)cc2)CC1 95427796 VGQXOMSXGLQUKZ-MRXNPFEDSA-N 323.412 2.250 0 40 DEAB CC1CC(NC(=O)NCc2ccc(C(=O)NC3CC3)cc2)C1 95406300 RACXMBMJXPIJNP-UHFFFAOYSA-N 301.390 2.177 0 40 DEAB CN(C[C@H](O)c1ccc(F)cc1)[C@@H]1Cc2ccccc2[C@@H]1O 95987243 SZCOEVZDTCITKO-SQNIBIBYSA-N 301.361 2.449 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccccn1 95954463 ULVXRLKEWRATGS-SFHVURJKSA-N 323.396 2.013 0 40 DEAB COC(=O)c1cn(CCC(F)(F)F)nc1Br 408717460 AYZWUAYLQRPCPP-UHFFFAOYSA-N 301.062 2.385 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](OC)c2ccccc2)C1 60999655 KEUFTHNOCWZSQY-HUUCEWRRSA-N 305.374 2.176 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)o1 32644065 ZRONWMAKMGTFCS-UHFFFAOYSA-N 314.750 2.093 0 40 DEAB Cc1nc([C@@](C)(NC(=O)c2ccnn2CC(C)C)C2CC2)no1 519159158 HGYIJSSDWAWKNC-INIZCTEOSA-N 317.393 2.286 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2ccncc2)nc(N2CCCC2)n1 72239864 MPYTYEAFFADVIK-ZDUSSCGKSA-N 311.389 2.271 0 40 DEAB CC(C)N(C[C@@H]1CCCN1CC(=O)O)C(=O)OC(C)(C)C 79410647 YJHDPAZVKYQWSV-LBPRGKRZSA-N 300.399 2.181 0 40 DEAB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CCCO3)c2O1 32817696 IEUUXCXOJRITSH-AWEZNQCLSA-N 305.374 2.074 0 40 DEAB O=C(O)c1cnc(COc2c(F)c(F)c(F)c(F)c2F)nc1 217381076 DPQLJOIIQSBPMX-UHFFFAOYSA-N 320.173 2.449 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCOc1ccc(F)cc1)C2 72278990 AHSOVENYPGNMRI-CQSZACIVSA-N 317.364 2.231 0 40 DEAB Cc1cc(N)cc(-c2nn3c(C(F)(F)F)nnc3s2)c1O 73634337 RCRSMTBARUJLFE-UHFFFAOYSA-N 315.280 2.468 0 40 DEAB Cc1ccccc1CNC(=O)[C@@]1(C)Oc2ccccc2NC1=O 40776369 RTQKJLJEXZUWMN-GOSISDBHSA-N 310.353 2.401 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)NCC2=CCCCC2)cc1 224343053 XOMGJKCSWIUTJC-UHFFFAOYSA-N 323.414 2.393 0 40 DEAB O=C([C@@H]1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCCC1 223398803 YOCNXEAVASAZKE-INIZCTEOSA-N 311.385 2.281 0 40 DEAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(C)(C)C 42646525 YMOFCQLKURRPBF-UHFFFAOYSA-N 306.406 2.465 0 40 DEAB Cc1ccc(Br)cc1S(=O)(=O)n1cccn1 41091856 NNASGGNSYZYSSF-UHFFFAOYSA-N 301.165 2.191 0 40 DEAB O=C(N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccsc1 191551363 IVMOBYBZQSKTBM-CQSZACIVSA-N 318.373 2.418 0 40 DEAB CCCOC(=O)c1cccc(NC(=O)c2cccc[n+]2[O-])c1 46085477 XHGMNVPKAQXQAN-UHFFFAOYSA-N 300.314 2.139 0 40 DEAB CN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3c(F)cccc32)C1 195570364 ZXNGAGFPNCGSPP-BLLLJJGKSA-N 305.397 2.406 0 40 DEAB CCS(=O)(=O)[C@@](Cl)(Br)C(=O)C(C)(C)C 96518215 SOJIEARGNBEIBB-MRVPVSSYSA-N 305.621 2.324 0 40 DEAB CC(C)n1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccc21 95476411 NPCQMMXUCLUOKW-LBPRGKRZSA-N 320.414 2.139 0 40 DEAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N1CC[C@@](C(=O)O)(c2ccccc2)C1 578445069 OQYKQXTTXLGXKB-BFIPOCKSSA-N 311.381 2.454 0 40 DEAB CCc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[nH]n1 96436243 MNALNANSTAWESC-CHWSQXEVSA-N 313.357 2.486 0 40 DEAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Cn1ccccc1=O 96433007 NYRUNGKLRGXKSD-MRXNPFEDSA-N 316.376 2.371 0 40 DEAB c1ccc(O[C@H]2CO[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96107355 XDEFXRXBTGJTGT-PBHICJAKSA-N 312.373 2.079 0 40 DEAB Cc1ccc(CNC(=O)c2cc(C(C)C)nc(N(C)C)n2)o1 96101180 FFGMSJNGXCZWCH-UHFFFAOYSA-N 302.378 2.497 0 40 DEAB Cc1noc([C@]23COC[C@H]2CN(Cc2ccc(C)s2)C3)n1 96110035 MRONUOSAEJINIJ-IUODEOHRSA-N 305.403 2.148 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)NC[C@@H](C)Sc1ccccc1 96439841 FVXQCPZROILSRR-CHWSQXEVSA-N 319.434 2.147 0 40 DEAB CN(C(=O)c1cc(-c2ccncc2)on1)[C@@H](CO)C(C)(C)C 97374797 VNFRUTHUSWVTKY-AWEZNQCLSA-N 303.362 2.216 0 40 DEAB Cc1cccc(CN2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)n1 247865191 ILKTXEXVGGOCBI-ZWKOTPCHSA-N 322.412 2.160 0 40 DEAB Cc1nccc(N2CCC[C@H]2c2nccnc2-c2nccn2C)n1 257312446 UNZKCUCJRSNUGL-ZDUSSCGKSA-N 321.388 2.317 0 40 DEAB O=C(CCc1cccs1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257293741 QQZMEVRINYBVPD-GJZGRUSLSA-N 319.430 2.102 0 40 DEAB c1ccc(Nc2nccc([C@H]3CCN(c4ncccn4)C3)n2)nc1 257275489 NPPKNRMGOPYHCW-ZDUSSCGKSA-N 319.372 2.399 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257254314 KCNZROQZOIGXFY-GFCCVEGCSA-N 313.405 2.435 0 40 DEAB O=C(NCCn1cnc(C2CC2)cc1=O)c1cc2ccccc2[nH]1 390829007 VUVQJTPWVXVJRA-UHFFFAOYSA-N 322.368 2.032 0 40 DEAB CC(C)N(C)CC1CCN(C(=O)[C@H](C(=O)O)C2CCCC2)CC1 663094474 BNWSARDMSURMEF-MRXNPFEDSA-N 324.465 2.456 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983890 JRPUIUQUGVUJRL-MFKMUULPSA-N 324.783 2.420 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCOc1ccc(F)cc1 65540786 MOBBHKAHHROOPH-QWHCGFSZSA-N 322.380 2.097 0 40 DEAB COc1cc(NC(=O)CC2CCCC2)c(C(N)=O)cc1OC 58183843 MXQIOYNRZDSLMY-UHFFFAOYSA-N 306.362 2.322 0 40 DEAB Cn1cc([C@H](OC(=O)c2cc(C3CC3)[nH]n2)C(F)(F)F)cn1 73839634 LGLYMJGJKCYYGH-NSHDSACASA-N 314.267 2.481 0 40 DEAB Cc1n[nH]cc1CNCc1cccnc1OCC(F)(F)F 97159188 GGZGMJVALUGKFY-UHFFFAOYSA-N 300.284 2.344 0 40 DEAB CCOc1ccc(CN2CCCN(C(C)=O)CC2)cc1OC 95453934 KMGGPNNDEWBEBY-UHFFFAOYSA-N 306.406 2.148 0 40 DEAB CCn1c(=O)n(CC)c2cc(NC(=O)c3ccncc3)ccc21 5002173 BKEHPNADWHAQIA-UHFFFAOYSA-N 310.357 2.490 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1ccncc1 13226896 ZKOYZCDSUUEVRG-DZGCQCFKSA-N 319.368 2.335 0 40 DEAB Cc1cccc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)c1 2087144463 GYKBQJCHNNOYAG-UHFFFAOYSA-N 322.474 2.383 0 40 DEAB CS(=O)(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305578 MFFGPERTRZYETK-CQSZACIVSA-N 322.455 2.401 0 40 DEAB Cc1ccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(=O)[nH]2)cc1 7418780 VFLLKHQKIVTCLO-UHFFFAOYSA-N 323.356 2.133 0 40 DEAB C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)NNC(=O)c1ccccn1 224784696 GNTBLBTUSLQJHI-LLVKDONJSA-N 323.469 2.253 0 40 DEAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccoc1 225582859 ZAZSGBGOVJNQMQ-UHFFFAOYSA-N 310.357 2.450 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@@H](OCCO)c1cccs1 575621856 WFOUXMPEJMPWHT-CQSZACIVSA-N 323.389 2.296 0 40 DEAB C[C@H]1CN(c2ncnc3ccccc23)CCN1Cc1cnn(C)c1 2298060335 ROZMIJYZIKLLKA-AWEZNQCLSA-N 322.416 2.074 0 40 DEAB Cn1cc(CCN2CCN(c3ccccc3Cl)CC2)cn1 1356 WBFVWQJVMMIQFI-UHFFFAOYSA-N 304.825 2.438 0 40 DEAB in-man CCOC(=O)c1cc[n+](Cc2ccc3nsnc3c2)cc1 364117 HLWSJOREBXDZQI-UHFFFAOYSA-N 300.363 2.204 0 40 DEAB CCCOc1ccc(S(=O)(=O)N[C@@H](C)Cn2cccn2)cc1 45742086 IOGJEFSSUHNNQQ-ZDUSSCGKSA-N 323.418 2.039 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@@H](C)OCc2ccccc2)c(=O)[nH]1 32766768 XHETZNVBNPUFPJ-CQSZACIVSA-N 314.385 2.213 0 40 DEAB CC1CCN(C(=O)c2ccc3c(=O)n(C)c(S)nc3c2)CC1 102362047 KGGJQMMCCJRJIK-UHFFFAOYSA-N 317.414 2.094 0 40 DEAB CCOc1nn(CC)cc1C(=O)Nc1ccc2c(c1)OCCO2 9070492 OIWILGBSZYHABO-UHFFFAOYSA-N 317.345 2.325 0 40 DEAB CCC[C@@H](NC(=O)c1ccccc1Br)c1nnn[nH]1 75107659 LNRWEANYVHFXDC-SNVBAGLBSA-N 324.182 2.233 0 40 DEAB Cc1noc(C2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 53639448 YIDUOUXUDQZMSD-UHFFFAOYSA-N 305.382 2.438 0 40 DEAB OC[C@@H]1[C@H]2[C@H]3CCC[C@@H]3[C@H]3[C@H]2[C@@H]2[C@@H]4[C@H]3[C@H](O)[C@@H]3CC[C@@H]([C@H]21)[C@H]43 104293433 AKYMTYCUHLPLQZ-CRUSUWMNSA-N 300.442 2.396 0 40 DEAB O=S(=O)(NCc1ccc2c(c1)OCCO2)c1cccc(F)c1 25655311 HONFMMNCHPAZTK-UHFFFAOYSA-N 323.345 2.075 0 40 DEAB CC(C)NC(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 54055837 VNBIXNHFQYFEOH-UHFFFAOYSA-N 318.417 2.219 0 40 DEAB COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1ccc(OC)cc1 54394646 KHIBSIPSWWXZJH-AWEZNQCLSA-N 320.389 2.051 0 40 DEAB Cc1cccc(OC[C@@H](C)NC(=O)NCCc2cnn(C)c2)c1 54616634 GDCUSYFNLSPNGP-CQSZACIVSA-N 316.405 2.038 0 40 DEAB CC[C@@H]1CCCCN1C(=O)c1cccc(NS(C)(=O)=O)c1 23982747 NDLVERQFYVNCMO-CQSZACIVSA-N 310.419 2.463 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1cccc(F)c1 101214329 MUXOLZVGXFGWAU-MWDXBVQZSA-N 306.333 2.044 0 40 DEAB COCCN1CCN(Cc2nc(C)c3ccccc3n2)C[C@@H]1C 106907000 IJLILIPWCMXTIG-AWEZNQCLSA-N 314.433 2.091 0 40 DEAB C[C@H]1CN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H](C)O1 43993088 GODSFJDGXIKGQL-TXEJJXNPSA-N 305.378 2.030 0 40 DEAB CC1(C)NC(=O)N(CCCSc2ncc3ccccn23)C1=O 44955856 HQARKPBXXYCQOT-UHFFFAOYSA-N 318.402 2.147 0 40 DEAB Cc1ccc(CNC(=O)C[C@@H](NC(N)=O)c2ccccc2)cc1 12615714 WJAAIOXTCRVSPM-MRXNPFEDSA-N 311.385 2.411 0 40 DEAB CCCCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 36383659 IBLWXZMSWSJDPV-UHFFFAOYSA-N 321.396 2.099 0 40 DEAB Nc1nccnc1C(=O)NCc1csc(-c2ccccc2)n1 10894169 DHRRBVDQMCDQDJ-UHFFFAOYSA-N 311.370 2.112 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2csc(C)n2)c1 70009410 GGBPILFJEUBHPL-AWEZNQCLSA-N 304.419 2.190 0 40 DEAB CN(CC1=NS(=O)(=O)c2ccccc2N1)c1ccc(F)cc1 69374682 IUVJUDUHKWGZDH-UHFFFAOYSA-N 319.361 2.475 0 40 DEAB COC(=O)[C@H](C)OC(=O)c1nn(-c2ccccc2)c2c1CCC2 12919427 KUYOZTCCMKNOGJ-NSHDSACASA-N 314.341 2.079 0 40 DEAB O=C(O)c1nc(-c2cn(-c3nccs3)cn2)n2ccccc12 110066239 KQUQZZAENWKKRJ-UHFFFAOYSA-N 311.326 2.342 0 40 DEAB COc1cn(C)c(C(=O)Nc2nc3ccccc3s2)cc1=O 49548703 LWIXBDRDLHBTQN-UHFFFAOYSA-N 315.354 2.256 0 40 DEAB CCCN1CCCN(C(=O)Nc2ccc3c(c2)OCO3)CC1 69464301 QHJLIYJJUVJSBS-UHFFFAOYSA-N 305.378 2.365 0 40 DEAB c1cnc(N2CCCN(c3ncnc4ccsc34)CC2)nc1 69562181 KDUIPAJLGWZWBL-UHFFFAOYSA-N 312.402 2.198 0 40 DEAB C[C@H](Sc1nnc(NCCc2cccs2)s1)C(N)=O 14022155 LOHHIHKEKQYPMD-ZETCQYMHSA-N 314.461 2.220 0 40 DEAB Cc1cnn(CC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)c1 77615213 OUSCOWQTOWLQJY-INIZCTEOSA-N 315.417 2.339 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)C(Cl)(Cl)Cl)C1 5592566 GSOIICVLPSMMHH-ZETCQYMHSA-N 302.585 2.158 0 40 DEAB CCc1cccc(CC)c1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 6658468 VVJIELRLSVZEOB-STQMWFEESA-N 324.471 2.465 0 40 DEAB O=C(COc1ccc2ccc(=O)oc2c1)Nc1nccs1 6759285 UIEFNYLEGNJIBI-UHFFFAOYSA-N 302.311 2.267 0 40 DEAB biogenic C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)NC1CC1 6913600 YWKOAJVEYGHTHH-SECBINFHSA-N 320.393 2.380 0 40 DEAB COc1ccc2c(c1)[C@H](N[C@H]1CC(=O)N(C3CC3)C1)CCCO2 90182363 CFLDLFKFCQLSAF-BLLLJJGKSA-N 316.401 2.262 0 40 DEAB CCOC(=O)CCCCCCCC[C@H](O)CN1CCOCC1 28294122 SASTWVBSARGFAN-INIZCTEOSA-N 315.454 2.363 0 40 DEAB CCCCNC(=O)NC(=O)COC(=O)c1cc(C)cc(C)c1 15713985 ZAEGPJYANOWKPK-UHFFFAOYSA-N 306.362 2.086 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cccnc2)C1 67801271 YORIYSJOICNDHG-CYBMUJFWSA-N 305.378 2.211 0 40 DEAB CCN(Cc1ccc(C(=O)N2CC[C@H](CO)C2)cc1)C(C)C 179672333 GYTYUJHNXXGWDU-INIZCTEOSA-N 304.434 2.371 0 40 DEAB CCN(CCO)c1cc(C(F)(F)F)nc(-c2cccnc2)n1 71909844 OEJZMVJODKUMHR-UHFFFAOYSA-N 312.295 2.376 0 40 DEAB COc1ccc(NC(=O)CN(C)C2CC2)cc1Br 71900774 AFCMVNPBOLHUKR-UHFFFAOYSA-N 313.195 2.490 0 40 DEAB COCc1cc(NC(=O)N2CCc3ccccc3CC2)ncn1 93328761 CAPFZASYGCCSQB-UHFFFAOYSA-N 312.373 2.256 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)/C=C/c1ccncc1 71903974 CZHLQVBXWRMFEG-AATRIKPKSA-N 310.401 2.080 0 40 DEAB O=C1[C@H](Nc2ncccn2)CCN1c1ccc(F)c(Cl)c1 96494584 NHFIOQWMNWRERS-GFCCVEGCSA-N 306.728 2.487 0 40 DEAB Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(C)on3)C2=O)cc1 96425901 CERXBAHBIMGAIJ-CQSZACIVSA-N 313.357 2.217 0 40 DEAB CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)[C@@H](c2ccccc2)C1 71830463 ZEURHHFYAHFDAB-KZNAEPCWSA-N 324.428 2.039 0 40 DEAB c1cncc(-c2noc(CN3CCCC[C@H]3Cn3cccn3)n2)c1 71877646 KVFOSWCXQLBOCR-HNNXBMFYSA-N 324.388 2.383 0 40 DEAB O[C@@H](CN1CCC[C@H]1Cn1cccn1)c1cc(F)ccc1F 71875668 PIRBFAVZGTWXPV-BBRMVZONSA-N 307.344 2.359 0 40 DEAB CC(C)[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1nnc2n1CCC2 89801883 MYQOHWABJNFUSH-FZMZJTMJSA-N 305.426 2.361 0 40 DEAB O=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nn2)c1 89857596 ZIGMJYVKPVBOFE-UHFFFAOYSA-N 308.297 2.218 0 40 DEAB COCc1noc([C@@H](C)S(=O)(=O)c2ccccc2Cl)n1 97085289 YVLNKBWTSHVIJQ-MRVPVSSYSA-N 316.766 2.404 0 40 DEAB NC(=O)[C@@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)cc1 97146953 ZUQLMMCUAGVLJX-LBPRGKRZSA-N 314.307 2.294 0 40 DEAB CCN1CCC(NC(=O)Nc2ccc(-c3ncno3)cc2)CC1 89977197 SETNWIUDQWJITL-UHFFFAOYSA-N 315.377 2.342 0 40 DEAB CCO[C@H]1C[C@@H](N(C)CCS(C)(=O)=O)C12CCCCC2 76040441 XRHKXCBTDLPLIB-KGLIPLIRSA-N 303.468 2.091 0 40 DEAB Cc1cccc(N2CCN(CC(C)(C)S(C)(=O)=O)CC2)c1C 95982271 WUJDLMRCTRLZEA-UHFFFAOYSA-N 324.490 2.249 0 40 DEAB CC(C)(CNc1nnnn1-c1ccccc1)N1CCCCC1 9951112 KFDFZMHPQSOETJ-UHFFFAOYSA-N 300.410 2.339 0 40 DEAB O=C1c2cccn2[C@@H]2CN(Cc3cccnc3)C[C@@H]2N1CC1CC1 306130517 JITNQOIOXMEXIP-MSOLQXFVSA-N 322.412 2.174 0 40 DEAB Cc1occc1C(=O)NCc1ccnc(OC2CCOCC2)c1 79095860 KOYDDAFXYFQHJC-UHFFFAOYSA-N 316.357 2.471 0 40 DEAB Cc1cc(-c2nnc(NC(=O)c3snnc3C)o2)c(C)o1 56907256 UMCUAUHMBYJVGJ-UHFFFAOYSA-N 305.319 2.359 0 40 DEAB Cc1nc(N2CC[C@]3(CCc4ccccc4O3)C2)cc2nncn12 521210993 FWWIFVLUWLQUCG-GOSISDBHSA-N 321.384 2.407 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306123598 AREFWMYDDMCJLP-CYBMUJFWSA-N 322.380 2.407 0 40 DEAB CN1C(=O)C[C@H](C(=O)NCc2ccco2)[C@H]1c1ccc(F)cc1 72242184 HISCOILYNCNHPE-GOEBONIOSA-N 316.332 2.255 0 40 DEAB Cc1ccc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c(C)c1 79094123 CRSYOOJTEHTHMH-ZDUSSCGKSA-N 309.431 2.341 0 40 DEAB CCOC(=O)C1=NN(c2ccc(C)c(C)c2)[C@@](C)(C(=O)O)C1 71979541 IUPJHGDBRXFKSF-MRXNPFEDSA-N 304.346 2.276 0 40 DEAB CC(C)c1nnc(CN(CCC(N)=O)c2ccc(F)cc2)o1 77279428 LXIWNQYXWXHWNR-UHFFFAOYSA-N 306.341 2.214 0 40 DEAB CNc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 217712270 NWDWBERXTKICMZ-UHFFFAOYSA-N 306.343 2.227 0 40 DEAB COc1cn(C)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1=O 49549585 AYTWINYREXECKM-UHFFFAOYSA-N 310.712 2.439 0 40 DEAB N[C@@H]1CC[C@H](C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)C1 521394630 FRXGHWLPJQCINJ-PLMOITTCSA-N 317.216 2.270 0 40 DEAB CCCCNS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 225147754 QVCFIHKPIAZDRQ-UHFFFAOYSA-N 316.448 2.445 0 40 DEAB O=C(NCc1nccc(N2CCCC2)n1)c1c(F)cccc1F 224149887 FRHKEAFISQHNRZ-UHFFFAOYSA-N 318.327 2.285 0 40 DEAB O=C(NCc1coc(-c2ccccc2)n1)N1[C@H]2CC[C@H]1COC2 574285931 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LIVWRIPLHMFRCJ-UHFFFAOYSA-N 310.313 2.051 0 40 DEAB Cc1cc(=O)oc2cc(NC(=O)[C@H](N)COC(C)(C)C)ccc12 136173709 UKLAVLVZOVOZEF-CYBMUJFWSA-N 318.373 2.182 0 40 DEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2cccc(O)c2)c1C 40267841 IQOCWEMIJKSKQL-UHFFFAOYSA-N 315.358 2.299 0 40 DEAB Cc1nc(N(C)C)nc(C)c1NC(=O)Cc1ccc(F)cc1 224294297 PRIXLXLIEWVMGW-UHFFFAOYSA-N 302.353 2.480 0 40 DEAB C[C@H]1C[C@H](C)CN(c2ncnc3c2cnn3C2CCNCC2)C1 228923288 PADNVIDOLHOIIB-STQMWFEESA-N 314.437 2.233 0 40 DEAB CC1=CC[C@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 136175768 FPZBNFZQVVSNKM-ZYHUDNBSSA-N 318.760 2.326 0 40 DEAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(N)=O)cc1 225622227 AFPWHEWGRRTDFO-QGZVFWFLSA-N 322.405 2.475 0 40 DEAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(NC(=O)C(C)C)cc2)C1 45953801 WTEKSJSNYSGZJU-LBPRGKRZSA-N 318.373 2.197 0 40 DEAB CCC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)O 195551829 OLOLZXHLOHTCIN-CYBMUJFWSA-N 319.361 2.374 0 40 DEAB Cc1nscc1C(=O)N(C)Cc1ccc2c(c1)OCCO2 195557012 VXJKATRHDZNSGT-UHFFFAOYSA-N 304.371 2.495 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H](C)CC1 195574867 VKSNVEYSMYVAKR-FRRDWIJNSA-N 304.456 2.078 0 40 DEAB C[C@H](C(=O)N(C)C)S(=O)(=O)N1CCCCCc2ccccc21 573910293 WILCGKRAQPXPCV-CYBMUJFWSA-N 324.446 2.026 0 40 DEAB COCCN(C)c1ccc(CN2CC[C@H]3OCCC[C@@H]3C2)cn1 191379466 CIUOTKMFCOEOGG-IAGOWNOFSA-N 319.449 2.165 0 40 DEAB O=C([C@@H]1CC[C@H]1c1ccc(F)cc1)N1CC[C@H](c2nc[nH]n2)C1 529506301 KWJWEXJSEDGFNO-AEGPPILISA-N 314.364 2.454 0 40 DEAB CC[C@@](C)(NC(=O)CCc1csc2nc(C)cn12)C(=O)OC 96476083 NONIPTNLJKWKIN-OAHLLOKOSA-N 323.418 2.095 0 40 DEAB CCO[C@H]1C[C@H](N(C)Cc2nc(CCOC)no2)C12CCCC2 96419728 AZZRDWYLBVSTJA-KBPBESRZSA-N 323.437 2.428 0 40 DEAB O=C(NCC1CC1)[C@H]1CN(Cc2ccco2)CC12CCOCC2 96052121 PDHQGBBTCBOBJU-MRXNPFEDSA-N 318.417 2.034 0 40 DEAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1 96041002 NEFVUXUCLAAUHF-BPUTZDHNSA-N 320.458 2.396 0 40 DEAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccccn1)C2 96039373 MGQWBKBPNCTHDN-FUHWJXTLSA-N 318.417 2.058 0 40 DEAB C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)c1ccc(F)c(F)c1 96432604 FUDATSARTQKJGT-JTQLQIEISA-N 306.312 2.197 0 40 DEAB CC(=O)N1CCC2(CC1)CO[C@@H](COCc1ccccn1)C2 96106182 ZLUIBZKIGRYIFF-MRXNPFEDSA-N 304.390 2.016 0 40 DEAB NC(=O)CCCOC(=O)c1ccc(F)cc1Br 96447640 MZWITKCYWGFPRW-UHFFFAOYSA-N 304.115 2.011 0 40 DEAB COCC[C@@H]1CN(C(=O)COC2CCCC2)Cc2cccn21 247846079 MRAFTWLCBZETPX-OAHLLOKOSA-N 306.406 2.367 0 40 DEAB CN1CCO[C@](Cc2ccccc2)(C(=O)Nc2nccs2)C1 257225586 FGXBEIMFDLZSSO-INIZCTEOSA-N 317.414 2.025 0 40 DEAB Cn1cnc(CNC(=O)c2cncc(Cc3ccc(F)cc3)c2)c1 257290580 QDMRRGFPEXIWBX-UHFFFAOYSA-N 324.359 2.475 0 40 DEAB O=C(NCC[C@H](O)c1ccoc1)C(=O)Nc1ccccc1Cl 90613219 VFVUVADDFAPIIY-ZDUSSCGKSA-N 322.748 2.111 0 40 DEAB Cc1ncc(C(=O)N(C)S(=O)(=O)Cc2ccccc2)s1 65531554 TVFJVEQKWAVSJP-UHFFFAOYSA-N 310.400 2.054 0 40 DEAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCN(CC3CC3)C2)c1 69876880 JEQPKMQSSWALMM-MRXNPFEDSA-N 301.390 2.495 0 40 DEAB CC(C)n1nccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 70737272 JMNBBCJGLMGETA-UHFFFAOYSA-N 323.374 2.036 0 40 DEAB O=C(CCC1CCCC1)N1CCN(C[C@H](O)c2ccco2)CC1 85436734 OBVQPFDTCKKYEN-INIZCTEOSA-N 320.433 2.428 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 5184209 VFUQGGUQKRPUGM-UHFFFAOYSA-N 307.353 2.465 0 40 DEAB biogenic CCN1/C(=C/C=C2\C(=O)N(C)C(=S)N2C)Oc2ccccc21 13161653 WNJNWGNAPMBUPT-FNIWZSMSSA-N 315.398 2.319 0 40 DEAB O=C(N1CC(Cn2cncn2)C1)C1(c2cccs2)CCCC1 827661508 ZUEUWRZHAQPULT-UHFFFAOYSA-N 316.430 2.310 0 40 DEAB COC(=O)C[C@H](NC(=O)c1cnn(C)c1)c1ccc(Cl)cc1 30991916 KDFJHIGKTRBNPK-ZDUSSCGKSA-N 321.764 2.108 0 40 DEAB COC(=O)c1c(NC(=O)c2ccn(C)n2)sc2c1CCCC2 13667510 TXRMLQDCWGRDJK-UHFFFAOYSA-N 319.386 2.399 0 40 DEAB O=C(/C=C/c1cccs1)N1CC[C@@H](Oc2ccncn2)C1 575610314 IXZRXHRHDHOBII-AAOUONPWSA-N 301.371 2.231 0 40 DEAB COc1ccc(F)cc1C(=O)NCc1nnc2n1CCCCC2 40489067 SVJAFCNNRKBYMC-UHFFFAOYSA-N 318.352 2.082 0 40 DEAB O=C(NCCCn1cncn1)N1CCC[C@@H]1c1cccs1 45648622 HYDILHRGDPAWJP-GFCCVEGCSA-N 305.407 2.276 0 40 DEAB O=C(NCc1ccccc1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100745659 IZCXPHNJHKDKIP-HOTGVXAUSA-N 323.396 2.177 0 40 DEAB Cc1nc(COc2ccccc2C(=O)NC[C@@H]2C[C@H]2C)no1 40523807 AIYUMFRQIAHJIN-PWSUYJOCSA-N 301.346 2.343 0 40 DEAB CO[C@]1(O)C(=O)c2ccccc2O[C@@]1(OC)c1ccccc1 1621492 LSDQPHGAMNDNCK-SJORKVTESA-N 300.310 2.096 0 40 DEAB c1cc(CSC2=NCCN2)ccc1CSC1=NCCN1 1633984 QNBQBGUMEMAOPZ-UHFFFAOYSA-N 306.460 2.071 0 40 DEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)Nc1nccs1 31740235 JWFPUKWYSAASRV-UHFFFAOYSA-N 320.761 2.145 0 40 DEAB O=C(CN1CCc2ccccc21)NC(=O)NC1CCCCC1 2616635 AYORRPRMNPMAEG-UHFFFAOYSA-N 301.390 2.208 0 40 DEAB CCCC[C@H](CN)NS(=O)(=O)c1cccc2cnccc12 59510434 CYFIUPHXLRDBFV-CYBMUJFWSA-N 307.419 2.031 0 40 DEAB COc1ccccc1CNC(=O)CNC(=O)c1cccc(C)c1 7985870 XLNDRKPYGUWYED-UHFFFAOYSA-N 312.369 2.050 0 40 DEAB COc1cccc(-c2cc(C(=O)NCCc3ccccn3)n[nH]2)c1 57413821 GRHXDVHYEXOWRD-UHFFFAOYSA-N 322.368 2.453 0 40 DEAB NNc1nc(Nc2ccc(F)cc2)nc(N2CCCCC2)n1 8573160 IHIKQMOBGBVZLN-UHFFFAOYSA-N 303.345 2.030 0 40 DEAB NC(=O)[C@H]1CCN(c2nc(-c3ccncc3)nc3ccccc23)C1 52393604 WOTRHUNRDGESSV-ZDUSSCGKSA-N 319.368 2.003 0 40 DEAB C[C@@H]1CN(C(=O)CCNc2cnc3ccccc3n2)C[C@@H](C)O1 52445408 MYDUDTAEULHKCT-CHWSQXEVSA-N 314.389 2.068 0 40 DEAB COc1ccc([C@@H](CNC(=O)Nc2cc(C)on2)N(C)C)cc1 32841332 NTVFRZDOORZTSM-CQSZACIVSA-N 318.377 2.416 0 40 DEAB CN(Cc1nccs1)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 80537058 LVUAVVRQJVDFOU-LBPRGKRZSA-N 323.462 2.386 0 40 DEAB CC1CCN(c2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)CC1 32918819 UHYPCPOISPQIEP-CYBMUJFWSA-N 304.394 2.014 0 40 DEAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1nnc2ccccn12 52757262 OLKUAAIQQMTITN-SECBINFHSA-N 302.284 2.499 0 40 DEAB CC(C)[C@H](C)NC(=O)CCNS(=O)(=O)/C=C/c1ccccc1 21872567 HQSMKDNLUDFYES-WONIAPNHSA-N 324.446 2.128 0 40 DEAB COc1ccc(CN2C[C@H]3[C@@H](CC(=O)NC(C)C)[C@H]3C2)cc1 107745876 RCKYZRRYZKRQHG-BJWYYQGGSA-N 302.418 2.288 0 40 DEAB Fc1ccc(OCCCN2CCN(c3cnccn3)CC2)cc1 42632985 ZULJFDJKTWQNSS-UHFFFAOYSA-N 316.380 2.207 0 40 DEAB CC(=O)Nc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)ccc1F 42734020 YMHMOQNRUPIYAQ-NWDGAFQWSA-N 320.320 2.390 0 40 DEAB Cc1sc2ncc(C(=O)Nc3ccccc3O)c(=O)n2c1C 61719732 SGPTXBYFFDVQTR-UHFFFAOYSA-N 315.354 2.331 0 40 DEAB CCCNC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 25425767 RSIWBCJFFFODQO-UHFFFAOYSA-N 315.373 2.388 0 40 DEAB COc1ccc(CC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20137301 HSIIRYKVHBMPPF-UHFFFAOYSA-N 301.298 2.280 0 40 DEAB O=C(c1ccco1)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107519991 PTRGJZBODSWKNQ-WBVHZDCISA-N 312.369 2.005 0 40 DEAB Cc1nnc2ccc(N3C[C@H](C)O[C@@H](c4ccsc4)C3)nn12 107519383 AXIOHZIIQNDBDY-GXFFZTMASA-N 315.402 2.461 0 40 DEAB COCCn1cnnc1S[C@@H](C)C(=O)c1ccc(F)cc1 58195988 AXYCVNUMLWMFNQ-JTQLQIEISA-N 309.366 2.427 0 40 DEAB Cc1cc(CNC(=O)N2CCC(CN(C)C(C)C)CC2)on1 58172229 VQHXWYCSZLYMBG-UHFFFAOYSA-N 308.426 2.245 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)Cn2nnnc2C(C)(C)C)c1C 58151919 BPQOCTIAMRBOBP-UHFFFAOYSA-N 303.366 2.001 0 40 DEAB Cc1cccc(C(C)(C)CNC(=O)CNC(=O)c2ccoc2)c1 58213065 BZFIXEMEMHOCCE-UHFFFAOYSA-N 314.385 2.412 0 40 DEAB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1cnccn1 3315764 RTFVCETVRSNTIP-UHFFFAOYSA-N 313.357 2.071 0 40 DEAB C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(N)=O 12976648 XQTZRJPHWAYKAO-SNVBAGLBSA-N 323.414 2.425 0 40 DEAB Cc1ccc(NC(=O)C2CCCC2)cc1S(=O)(=O)N(C)C 12988907 OPNPOMZZXGFWLU-UHFFFAOYSA-N 310.419 2.374 0 40 DEAB COc1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1 49170445 IGNJIPZKAAPPGA-HNNXBMFYSA-N 316.401 2.074 0 40 DEAB Cc1cccc(OS(=O)(=O)c2ccc(C(N)=O)cc2)c1C 16727364 GKECYIBZCDEPME-UHFFFAOYSA-N 305.355 2.170 0 40 DEAB C[C@@H](NC(=O)NCCc1ccccn1)[C@H](O)c1ccc(F)cc1 69698576 WLSPXHLNRLWYCJ-WBMJQRKESA-N 317.364 2.185 0 40 DEAB CN(C(=O)Cn1cnc2sccc2c1=O)C1CCCCC1 8244319 AVECYTGZKYGTFS-UHFFFAOYSA-N 305.403 2.249 0 40 DEAB COc1ccc([C@@H](O)CNCc2c(C)nn(C)c2Cl)cc1 65463746 DPKOGDUWPKURCY-AWEZNQCLSA-N 309.797 2.214 0 40 DEAB C[C@@]1(C(=O)O[C@H](C(N)=O)c2ccccc2)CC1(Cl)Cl 14071169 NUNMXISEPDBPPF-CABZTGNLSA-N 302.157 2.340 0 40 DEAB CCc1ccsc1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 65548993 UKQYEDWDRNTTCB-ZDUSSCGKSA-N 302.399 2.137 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1cccc(Cl)c1 14157824 KXHSITAWOMHPLE-SNVBAGLBSA-N 320.828 2.366 0 40 DEAB O=C(O)c1cc(S(=O)(=O)N2Cc3ccccc3C2)cs1 6668828 JPYPGPPSQHMACH-UHFFFAOYSA-N 309.368 2.151 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)n1 69779932 XBDMREVTHXVPPQ-KBPBESRZSA-N 320.437 2.211 0 40 DEAB COc1ccc(-c2nnc(SC[C@H]3CCOCO3)n2C)cc1 5847400 SNFJIOZEYZQZDU-CYBMUJFWSA-N 321.402 2.346 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(c2ncccn2)C1 4966171 CMEWYRRJIUMKNR-KFWWJZLASA-N 302.422 2.388 0 40 DEAB Cc1occc1-c1nnc(SCC(=O)NC[C@H]2CCCO2)o1 7195896 UHSOJZRTTXHKLD-SNVBAGLBSA-N 323.374 2.025 0 40 DEAB NC(=O)C[C@@H]1CCCCN1c1cnc2cc(F)c(F)cc2n1 89764950 SZSTWRMKLFMFGK-VIFPVBQESA-N 306.316 2.142 0 40 DEAB Cc1cccc(OCCNC(=O)CSc2nncs2)c1 9112941 YESSJFSBOSBBKI-UHFFFAOYSA-N 309.416 2.134 0 40 DEAB C[C@H]1CN(c2ccc(NC(=O)Nc3ccn(C)n3)cc2)CCO1 96013210 MXZGAUJYPFFHHG-LBPRGKRZSA-N 315.377 2.289 0 40 DEAB CS(=O)(=O)[C@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 96364961 NIUHACOLMDCGHP-HNNXBMFYSA-N 303.383 2.099 0 40 DEAB COCCCCC(=O)NC1CCN(c2cccc(C)n2)CC1 96408200 XDLXPWQEEFNJCE-UHFFFAOYSA-N 305.422 2.292 0 40 DEAB CCO[C@H](C)c1noc(CN2CCC[C@H](c3ccnn3C)C2)n1 72290816 LZHYOKLVBFJHHJ-OLZOCXBDSA-N 319.409 2.280 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCn1ccc2ccccc21 71829721 BREUNOXPDMLWIW-UKRRQHHQSA-N 313.401 2.144 0 40 DEAB O=C(CCCNC(=O)c1ccco1)Nc1ccc2[nH]ncc2c1 71832423 MEKIEMATYZEWBF-UHFFFAOYSA-N 312.329 2.305 0 40 DEAB O=C(Nc1cccc2[nH]cnc12)[C@H]1CCCN(C(=O)C2CC2)C1 72288808 JVJMIBLEXJBQMD-LBPRGKRZSA-N 312.373 2.150 0 40 DEAB Cc1cc(Cl)c(C(=O)NC2CCS(=O)(=O)CC2)cc1C 97080364 HGVFVLRSHUVVKN-UHFFFAOYSA-N 315.822 2.264 0 40 DEAB CN(C)CCN(Cc1cccs1)C(=O)c1ncccc1O 97377915 YRWMSKDICLNEFE-UHFFFAOYSA-N 305.403 2.053 0 40 DEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCS[C@H](C)[C@@H]1C 89920041 CBRKOVPKVWIKBA-OZVIIMIRSA-N 318.442 2.317 0 40 DEAB CO[C@@H](CNC(=O)N1CCC(c2ccn[nH]2)CC1)C(C)(C)C 95460005 KWFCMYKSNFTAQK-AWEZNQCLSA-N 308.426 2.360 0 40 DEAB Cn1cc(CCCNC(=O)Nc2cc(C3CCC3)nn2C)cn1 95418852 PRYJENSECLMSGF-UHFFFAOYSA-N 316.409 2.175 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCS[C@@H]2COCC[C@@H]21 95426778 AQFXYVNXARTQGP-DZGCQCFKSA-N 318.398 2.103 0 40 DEAB C[C@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@@H](c2ccco2)C1 76089355 MVSVYPABCFBVME-QWHCGFSZSA-N 313.419 2.404 0 40 DEAB CN(C)c1ncccc1CNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95994880 GIANTEHBQVJXAH-ZDUSSCGKSA-N 320.437 2.293 0 40 DEAB C[C@@H](CO)NC(=O)c1cc(-c2ccco2)nn1-c1ccccc1 95972145 NRMCMANTRJYFCT-LBPRGKRZSA-N 311.341 2.243 0 40 DEAB C[C@H](C(=O)NC1CCN(C(N)=O)CC1)c1cccc(Cl)c1 78878230 OXUUWLLJWPTSDB-JTQLQIEISA-N 309.797 2.103 0 40 DEAB C[C@H](C(=O)N1CCOCC1)N1C(=O)c2cccc3cccc1c23 409409590 IKUKFOUWDGMFNX-GFCCVEGCSA-N 310.353 2.047 0 40 DEAB O=C(C1CC1)N1CC[C@@]2(CCn3c(-c4cccnc4)cnc32)C1 306124503 BRVIELOLNGUXCC-GOSISDBHSA-N 308.385 2.229 0 40 DEAB CC[C@@H](NC(=O)c1c(F)cccc1F)C1=CCCN(CCO)C1 67695813 WGKGFMYJZAMWES-OAHLLOKOSA-N 324.371 2.098 0 40 DEAB O=C(CN1CCO[C@H]2CCC[C@@H]21)NCc1ccc(Cl)cc1 79354341 LKCSKTBOYADEFQ-GJZGRUSLSA-N 308.809 2.210 0 40 DEAB CCCNC(=O)Cn1cc(Br)c(C(C)(C)C)n1 521396168 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CCC1(CNC(=O)c2cccc3oc(O)nc23)CCOCC1 569865382 WHVJWSHTXUBZTO-UHFFFAOYSA-N 304.346 2.470 0 40 DEAB CCCOC(=O)c1cccc(NC(=O)c2ccc[n+]([O-])c2)c1 46085476 WHAKRMYMQKNJGK-UHFFFAOYSA-N 300.314 2.139 0 40 DEAB CC[C@H](C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)c1ccccc1 61649629 OGLBXLGYTQHPLV-BBWFWOEESA-N 302.418 2.160 0 40 DEAB CC(C)c1nnc(C(=O)N[C@@H](C)c2nnc3ccccn23)s1 225799523 DYSWFWYWRRTMPE-VIFPVBQESA-N 316.390 2.195 0 40 DEAB Cc1noc(C)c1CN1C[C@]2(CCN(CC3CC3)C2)CC1=O 96050959 CKRPMCWRJYMXJF-QGZVFWFLSA-N 303.406 2.126 0 40 DEAB Cc1ccccc1NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O 96344791 ZQWDICGMHRATLT-OAHLLOKOSA-N 323.352 2.074 0 40 DEAB Cc1ncc(S(C)(=O)=O)c(N[C@H](C)Cc2ccsc2)n1 95382336 DNBOEKUUANJURF-SECBINFHSA-N 311.432 2.293 0 40 DEAB COC(=O)c1[nH]c(C)cc1NC(=O)c1cc(C(C)(C)C)nn1C 96408076 YIRPXBNCSXZQTD-UHFFFAOYSA-N 318.377 2.393 0 40 DEAB CC1(C)CC(=O)N(CC(=O)NCc2cccnc2)c2ccccc21 96183214 BULKOYILBVUSTM-UHFFFAOYSA-N 323.396 2.412 0 40 DEAB Cc1cc(C(=O)NCc2nccn2CCCc2ccccc2)n[nH]1 96459381 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IIEYMDYVPRORMW-UHFFFAOYSA-N 320.443 2.106 0 40 DEAB C[C@H](N[C@@H]1CCc2ncnn2C1)c1nnc(-c2cccs2)o1 69596520 RCXIMTLYXYKRSC-VHSXEESVSA-N 316.390 2.055 0 40 DEAB COc1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 6608574 YDMCKWLBCYZIQH-UHFFFAOYSA-N 309.325 2.044 0 40 DEAB Cn1cccc1C(=O)OCC(=O)N1CCSc2ccccc21 8773534 AEJPSTAJICSWHX-UHFFFAOYSA-N 316.382 2.321 0 40 DEAB CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(C)(C)C)c1 69743409 NKHGEIUZMIVBEI-NSHDSACASA-N 312.435 2.149 0 40 DEAB O=C1CC[C@@H](C(=O)NCC2(c3c(F)cccc3F)CCCC2)N1 69708637 WQOYKISKRXHMKS-ZDUSSCGKSA-N 322.355 2.171 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1 69895753 YUBZUSOHGFFNIP-SOUVJXGZSA-N 322.474 2.075 0 40 DEAB CCOC(=O)c1sc2ccsc2c1CNS(C)(=O)=O 69876448 IRWMPYZCCUPCHW-UHFFFAOYSA-N 319.429 2.189 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)NC(C2CC2)C2CC2)c1 69818391 VCHUZGHOTGYMPS-CHWSQXEVSA-N 304.438 2.035 0 40 DEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(-n2cnnn2)c1 72288099 GDDRPWWKLIITBY-WWGRRREGSA-N 311.389 2.456 0 40 DEAB CCn1nccc1CNC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 97054909 WBJQFQPOKSTQDP-CRAIPNDOSA-N 312.417 2.212 0 40 DEAB Cc1ccnc([C@@H](NS(=O)(=O)c2cccs2)C2CC2)n1 97046155 OROGGYTWQKBRJM-LBPRGKRZSA-N 309.416 2.276 0 40 DEAB CCCCOC(=O)[C@@H](C)NC(=O)Cc1cn2cccc(C)c2n1 72303214 SNJCWDNJMXDFBU-CYBMUJFWSA-N 317.389 2.033 0 40 DEAB Cc1nc([C@H]2CCCN2Cc2cccc3c2OCCO3)no1 75573109 FSRJVYIIAKCGSP-CYBMUJFWSA-N 301.346 2.486 0 40 DEAB Cc1nc(CN[C@H](C)c2nc(-c3cccc(F)c3)no2)no1 97374551 LIZOLBVWYFQYJE-MRVPVSSYSA-N 303.297 2.418 0 40 DEAB Cc1nnc(CN2CC[C@@H](C)N(Cc3ccccc3)CC2)o1 76119852 UEZYSQYOMGMJRX-CQSZACIVSA-N 300.406 2.474 0 40 DEAB C[C@H](CNC(=O)[C@@H](C)N1CCSCC1)Nc1ccccc1 95978936 ZXMXJOFNDAWYDD-ZIAGYGMSSA-N 307.463 2.041 0 40 DEAB C[C@@H](NCc1ncnn1C)c1ccc(F)cc1OC(F)F 95968777 HBLVNIZKINZKAR-MRVPVSSYSA-N 300.284 2.406 0 40 DEAB Cc1nc(CNC(=O)N(CCO)Cc2ccccc2)sc1C 74919136 JCLYYMQJUYOGDF-UHFFFAOYSA-N 319.430 2.464 0 40 DEAB O=C1c2cccn2[C@@H]2CN(Cc3ccncc3)C[C@@H]2N1CC1CC1 306137794 RGPINEBKMUOKOB-MSOLQXFVSA-N 322.412 2.174 0 40 DEAB Cc1ccc(-c2nnn(Cc3nc(N)c4ccccc4n3)n2)cc1 31649168 MFKCXRRVRXCMOT-UHFFFAOYSA-N 317.356 2.222 0 40 DEAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 32639790 FUSBUXWXJJABIO-OCCSQVGLSA-N 324.471 2.398 0 40 DEAB Cn1c(C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)cnc1O 521396253 CRCVABMNISZSST-GZMMTYOYSA-N 309.728 2.204 0 40 DEAB O=C(CN1CCCNC1=O)O[C@@H]1CCc2ccc(Cl)cc21 78442840 GSUPBUXWQGUKRC-CYBMUJFWSA-N 308.765 2.286 0 40 DEAB C[C@H](Nc1ncccc1S(N)(=O)=O)c1ccc(F)c(F)c1 79037594 VDFHKIPUVSURGA-QMMMGPOBSA-N 313.329 2.180 0 40 DEAB CC(C)N(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)[C@H](C)N 79404505 LOKPEQNBDPEOIP-RDJZCZTQSA-N 303.450 2.093 0 40 DEAB Cc1cc(C)cc([C@@H](NS(=O)(=O)c2ccco2)C(=O)O)c1 558735704 AXMFYJRQMMJKOD-CYBMUJFWSA-N 309.343 2.001 0 40 DEAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3CCO)n2)n1 72380435 VKWOVWVXXGUCNP-OAHLLOKOSA-N 313.405 2.361 0 40 DEAB Cc1cccnc1Nc1cccc([C@@H]2CCCN2CC(N)=O)n1 72383062 XIUJIBLKWHYCLH-AWEZNQCLSA-N 311.389 2.151 0 40 DEAB CC(C)(C)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1 36644022 NQMWIJLAXUYAQI-UHFFFAOYSA-N 305.422 2.126 0 40 DEAB O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 72265562 IZUPNTFSLGOKMC-AEGPPILISA-N 303.358 2.310 0 40 DEAB C[C@H](Cc1ccccc1)OC(=O)c1cnc2ccccn2c1=O 79334972 OCJGVCPJNHIFAW-CYBMUJFWSA-N 308.337 2.483 0 40 DEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 81238764 LGVQGQYVQSZEBD-ZIAGYGMSSA-N 317.433 2.495 0 40 DEAB CC(C)(CSc1cnn[nH]1)CN1C(=O)c2ccccc2C1=O 521395049 YUWUYOYDNQIQIV-UHFFFAOYSA-N 316.386 2.219 0 40 DEAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)C(=O)O 570970809 RWYWBSOFTRSKSC-ZCFIWIBFSA-N 318.251 2.323 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)OCc2ccccc2)CC12CCOCC2 85347744 LEWBEPAKAYGKGR-AWEZNQCLSA-N 319.357 2.136 0 40 DEAB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96077560 ZTCZRVOCETYDRA-HNNXBMFYSA-N 307.419 2.295 0 40 DEAB O=C(c1ncccc1O)N(CCCO)Cc1cccc(Cl)c1 97102515 JPYTYRUFMMZIBJ-UHFFFAOYSA-N 320.776 2.465 0 40 DEAB c1cnc(N[C@H]2CO[C@]3(CCCN(Cc4ccoc4)C3)C2)nc1 96048332 DBQXZXVFMHHACF-NVXWUHKLSA-N 314.389 2.305 0 40 DEAB Cc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)s1 96053993 MVHKNHOVDSLGRA-ZIAGYGMSSA-N 300.431 2.415 0 40 DEAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cccs1 96098587 PBVKAOZITPNHOC-UHFFFAOYSA-N 318.402 2.244 0 40 DEAB CC[C@]1(C)Oc2ccc(NC(=O)Cc3cnn(C)c3)cc2O1 97104338 QNKPGURLWSVXRP-MRXNPFEDSA-N 301.346 2.499 0 40 DEAB CCOC(=O)C1(NCc2nc(C)c(C)o2)Cc2ccccc2C1 96424472 RGVDLRALVDDTMP-UHFFFAOYSA-N 314.385 2.482 0 40 DEAB Fc1cnc(N[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)nc1 96048527 OTFFWIMDPFXUBN-GOEBONIOSA-N 306.385 2.061 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC[C@H]1c1nnc2ccccn12 96117154 ZUFZFNUZAMBWJK-LBPRGKRZSA-N 311.345 2.311 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575403136 IYFLUMGZPICSEP-HNNXBMFYSA-N 318.442 2.485 0 40 DEAB CC(C)Oc1ccc(CCNC(=O)[C@@H]2CCN(C)[C@@H]2C)cc1 585140860 KFATTWDFTJOSDY-RHSMWYFYSA-N 304.434 2.473 0 40 DEAB CCN(CC)CC[C@H]1CN(CC2CCOCC2)Cc2ccnn21 585112444 QSGLAAXLYASMLQ-SFHVURJKSA-N 320.481 2.398 0 40 DEAB COc1cc(CNCc2c(C)nn(C)c2N(C)C)ccc1C 65565483 WPGPIUCKZKZLSE-UHFFFAOYSA-N 302.422 2.401 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)NCC[C@H]2CCCO2)c1 65541295 FMVFUFPRTVPROX-UKRRQHHQSA-N 305.374 2.342 0 40 DEAB Cc1ccc(C)c2c(C)c(C(=O)N3CCC[C@@H]3C(N)=O)oc12 56969473 RWWQRAZGLZBYPO-GFCCVEGCSA-N 300.358 2.448 0 40 DEAB CCO[C@H](C)c1nc(C(=O)N[C@@H]2CCc3nccn3C2)cs1 72292182 PDMKHNBKCFXSSH-GHMZBOCLSA-N 320.418 2.182 0 40 DEAB Cc1occc1C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 89540627 GHVXYXQTNWKGDR-OAHLLOKOSA-N 306.749 2.372 0 40 DEAB CCOC(=O)c1cn(-c2ccc(C(F)(F)F)cc2)[nH]c1=O 164151115 ZJGRSRLRHHLTNC-UHFFFAOYSA-N 300.236 2.361 0 40 DEAB Cc1cnc(-c2nnc(CNC(=O)CC3CCCC3)o2)cn1 19239255 CLFVJSPMHDPULM-UHFFFAOYSA-N 301.350 2.032 0 40 DEAB CCCC[C@H](c1nnnn1C(C)(C)CC)N1CCN(C)CC1 19502103 ZQUUFVMBKQKKHT-CQSZACIVSA-N 308.474 2.297 0 40 DEAB Cn1cccc1[C@]1(O)CCC[C@H]2CN(C(=O)c3ccco3)C[C@@H]21 12233459 ARLGVIAOSKEACO-DEYYWGMASA-N 314.385 2.378 0 40 DEAB O=C(Nc1cnc2ccccc2c1)c1cccc(-n2cnnn2)c1 418390 BKHIUIHGKIWMST-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB CCc1cnc(N2CCC(COc3ccc(C)nn3)CC2)nc1 1775995849 LDUUXQUVEYEEOD-UHFFFAOYSA-N 313.405 2.433 0 40 DEAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 40498559 QHPRCSXMTBJKOK-JHJVBQTASA-N 301.452 2.142 0 40 DEAB O=C(c1cc(-c2ccccc2)no1)N1CCC2(CC1)OCCO2 32931375 GXVFMKJSHMCJSJ-UHFFFAOYSA-N 314.341 2.321 0 40 DEAB CC(=O)N1CCc2cc(NC(=O)CC(C)(C)CC(=O)O)ccc21 4788850 SSTHNMMZWFFZRH-UHFFFAOYSA-N 318.373 2.425 0 40 DEAB COCCNC(=O)c1csc(NC(=O)Nc2ccccc2)n1 9317121 XYTZXNOOFRGZMN-UHFFFAOYSA-N 320.374 2.163 0 40 DEAB Cn1cc(C(=O)NC[C@@H](c2ccco2)c2cccs2)nn1 585147685 GVTMMDHKZJPLLR-JTQLQIEISA-N 302.359 2.032 0 40 DEAB O=C(Cn1cnc2ccccc21)NC[C@H]1COc2ccccc21 346512378 OUYRVVSXIXLSJO-ZDUSSCGKSA-N 307.353 2.329 0 40 DEAB O=C(NCc1cccs1)NC[C@]1(O)CCc2ccccc21 75155786 KRUGPMRSSITTGC-MRXNPFEDSA-N 302.399 2.381 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)NCCc1ccccc1F 40061740 UXRLUJZAGDERTB-UHFFFAOYSA-N 314.426 2.467 0 40 DEAB COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 51347 WZCYBAPHQGWHEL-XNTDXEJSSA-N 308.362 2.466 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CCO1 30848239 CEXQXYMXZVAGJW-CQSZACIVSA-N 303.337 2.262 0 40 DEAB Cc1ccc(CNC(=O)c2cccc(N3CCOC3=O)c2)n1C 40553312 AIYUDOLVKZNRBT-UHFFFAOYSA-N 313.357 2.220 0 40 DEAB O=C(Nc1cccc2cccnc12)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4705897 RDUVQHCMRVEVJK-RQJABVFESA-N 312.325 2.052 0 40 DEAB in-vitro COC(=O)[C@H](CSCSC)NC(=O)NC1CCCCC1 6384977 BXGHWVSZIDPPNU-NSHDSACASA-N 320.480 2.214 0 40 DEAB CN(C)S(=O)(=O)c1csc(C(=O)Nc2ccccc2)c1 6680238 BNUHDODIMHMYMH-UHFFFAOYSA-N 310.400 2.251 0 40 DEAB CCOc1ccccc1CCC(=O)O[C@@H](C)C(=O)NC1CC1 7625223 YOYBTXXAFZFDDU-LBPRGKRZSA-N 305.374 2.228 0 40 DEAB O[C@@H](COc1ccc(F)cc1)CN1CCC(N2CCCC2)CC1 51924683 VTEQUOQXCATGIS-QGZVFWFLSA-N 322.424 2.126 0 40 DEAB O=C(Nc1nncs1)c1cc(Br)ccc1O 21214088 ASSPHVFOYFTDQL-UHFFFAOYSA-N 300.137 2.259 0 40 DEAB O=C(NCCc1cn2ccccc2n1)NOCc1ccccc1 29728595 OLISRXXNAVAPAA-UHFFFAOYSA-N 310.357 2.308 0 40 DEAB COC(=O)C(C)(C)NC(=O)CNc1cccc(C(F)(F)F)c1 71903786 UWFHAGBDTVYMGO-UHFFFAOYSA-N 318.295 2.185 0 40 DEAB COc1ccc(CNC(=O)Cc2cn3ccsc3n2)cc1 9219916 CSPDDSVQEFSNJX-UHFFFAOYSA-N 301.371 2.263 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CNC(=O)C1CC1 53543825 LDLDYFPRVZBTQD-CYBMUJFWSA-N 304.390 2.244 0 40 DEAB CN(Cc1nc(O)c2cnn(C)c2n1)[C@H]1CCc2ccccc21 54418012 RIRSXIGSZLBPDO-AWEZNQCLSA-N 309.373 2.188 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]3CCCC[C@H]32)c(=O)[nH]1 54573558 FBDMIXIYRYWEMD-DZGCQCFKSA-N 303.406 2.110 0 40 DEAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCO 104482097 JUCVJOSPMQSYGQ-IENTYSSBSA-N 316.239 2.219 0 40 DEAB COc1ccc(CCNC(=O)NCc2cccnc2)cc1OC 25054040 UFYOYANNXPYTBJ-UHFFFAOYSA-N 315.373 2.141 0 40 DEAB Cc1c(C(=O)NC[C@H]2CCCOC2)cnn1-c1ccccc1F 55922902 QLUGNRQOPHMVAZ-CYBMUJFWSA-N 317.364 2.476 0 40 DEAB Cc1nc(-c2ccc(NC(=O)Cn3cccnc3=O)cc2)oc1C 56133118 QHJZRFKJUNXCAJ-UHFFFAOYSA-N 324.340 2.154 0 40 DEAB COC(=O)C1CCN(C(=O)[C@H](C)Oc2cccc(C)c2C)CC1 20484913 WDUPGDYXEGXJGQ-AWEZNQCLSA-N 319.401 2.482 0 40 DEAB CCN(CC)C(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1 57881793 CTOCDZZUSSMYIJ-UHFFFAOYSA-N 323.868 2.326 0 40 DEAB CN(C)[C@H](CNc1cncc(-n2cccn2)n1)c1ccsc1 58077479 MPRMQEJBLTXUOW-CYBMUJFWSA-N 314.418 2.439 0 40 DEAB O=C(NC[C@@H]1CCCO1)NC[C@H](c1ccco1)N1CCCCC1 44892505 PXCINJUHWUBHLK-LSDHHAIUSA-N 321.421 2.285 0 40 DEAB O=C(Nc1ccccn1)c1cccc(NC(=O)[C@H]2CCCO2)c1 12527757 HDIAFWISADDROZ-CQSZACIVSA-N 311.341 2.451 0 40 DEAB COc1ccc([C@H]2CCN(CC(=O)NCc3ccco3)C2)cc1 58281591 GYOOZEOTURKVKA-HNNXBMFYSA-N 314.385 2.394 0 40 DEAB CCN(CC)Cc1nc(C2(NC(=O)C3CC3)CCCC2)no1 58379398 JJAKAAFFGVORGC-UHFFFAOYSA-N 306.410 2.207 0 40 DEAB Cc1nnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1 36398389 NJYSKQWBNCELIW-LLVKDONJSA-N 306.322 2.117 0 40 DEAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@H]1CCN(C)C(=O)C1 45262360 KLTVTSIJRZHWSW-MNOVXSKESA-N 310.344 2.353 0 40 DEAB O=C(NCc1cccs1)Nc1ccc(N2CCOCC2)nc1 48261765 KSHNJLOJJGTSIL-UHFFFAOYSA-N 318.402 2.301 0 40 DEAB Cc1cc(C)c(CNc2ncc(S(N)(=O)=O)s2)c(C)c1 69515732 FGDIYMDADWNHSQ-UHFFFAOYSA-N 311.432 2.328 0 40 DEAB Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c(C)n1CC1CC1 69511391 NPLSFYXJIHKETI-UHFFFAOYSA-N 313.405 2.071 0 40 DEAB O=C(O)C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 38026977 VKMTZYPYQPFQOG-NSHDSACASA-N 317.794 2.358 0 40 DEAB C[C@H](Sc1ncccc1Cl)c1nc(N)nc(N(C)C)n1 12907054 QXWSGWFJTJHKME-ZETCQYMHSA-N 310.814 2.422 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)NCCCc1ccccc1 8516627 SMECFQYKKMWVQD-UHFFFAOYSA-N 321.380 2.146 0 40 DEAB Cc1nn2c(=O)c(CCC(=O)O)c(C)[nH]c2c1-c1ccccc1 3882738 YILLPNWQRYWGAB-UHFFFAOYSA-N 311.341 2.324 0 40 DEAB Cc1ccc(-n2cnnc2S(=O)(=O)CCOC(C)C)c(C)c1 83026170 JLVWMLRBZAMDQT-UHFFFAOYSA-N 323.418 2.083 0 40 DEAB CN1N=C(C(=O)NC2(c3ccc(F)cc3)CCCC2)CCC1=O 64850837 HIVNZJSQMMYUDV-UHFFFAOYSA-N 317.364 2.319 0 40 DEAB Cc1ccccc1N1C(=O)/C(=C/NCCO)c2ccccc2C1=O 6174306 CHOLMXOISZUPNG-FOWTUZBSSA-N 322.364 2.105 0 40 DEAB Cn1c(SCc2nnc(-c3cccc(Cl)c3)o2)n[nH]c1=O 69813759 ZEVNDXSNCLOBSY-UHFFFAOYSA-N 323.765 2.104 0 40 DEAB Nc1nc(N)nc(SCc2ncc(-c3ccc(F)cc3)o2)n1 14046584 GHRKKADVQUCKJF-UHFFFAOYSA-N 318.337 2.122 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(c2nccs2)CC1 65529760 RFLGKHNIUSUEDK-RYUDHWBXSA-N 303.387 2.188 0 40 DEAB CN(CC(=O)Nc1ccccc1)CC(=O)Nc1cccc(F)c1 6882126 PJVIGMCFUGGAIG-UHFFFAOYSA-N 315.348 2.335 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2c(C)cc(=O)oc2C)cc1 9112154 GFQCYMOOAUWFGI-UHFFFAOYSA-N 300.314 2.467 0 40 DEAB CCNc1cc2c(nn1)CCN(C(=O)CCc1ccsc1)C2 70011268 GXKPASQPCQVKJJ-UHFFFAOYSA-N 316.430 2.487 0 40 DEAB Cn1cccc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)c1=O 96435154 CWYTZAVTJHPXMU-SECBINFHSA-N 303.284 2.192 0 40 DEAB COc1ccccc1[C@H](O)CNCc1cccc2c1OCO2 71819630 QCZOZIVPEIVRTG-CQSZACIVSA-N 301.342 2.247 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 72297006 NFEWZKMQFJZZBQ-LDYMZIIASA-N 301.325 2.273 0 40 DEAB Cc1cccc2[nH]c(CNC(=O)N3CCC[C@H]3C(C)(C)O)nc12 97114746 GQWSCMHUSPQRGA-ZDUSSCGKSA-N 316.405 2.316 0 40 DEAB Cc1cc(=O)[nH]c(C)c1C(=O)OCc1cn2cccc(C)c2n1 72312564 NDTVINZCDIFSEW-UHFFFAOYSA-N 311.341 2.305 0 40 DEAB Cc1cc(=O)c(C(=O)Nc2cc(Br)ccc2O)c[nH]1 97228197 YPOQLLGAWMWTHU-UHFFFAOYSA-N 323.146 2.404 0 40 DEAB C[C@@H](Cc1ccsc1)NS(=O)(=O)CC1CCOCC1 76062151 KRTCFGNFLKAZIU-NSHDSACASA-N 303.449 2.025 0 40 DEAB CC(C)c1ccc2c(c1)[C@H](NC(=O)NCCC(N)=O)CCC2 95447768 GRLZBQLWPDELMU-OAHLLOKOSA-N 303.406 2.362 0 40 DEAB C[C@H](NC(=O)CS[C@H]1CCc2c(F)cccc21)C(=O)N(C)C 95418073 SIZJUDDJUYVQAD-HZMBPMFUSA-N 324.421 2.139 0 40 DEAB CCc1ncc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)cn1 95448164 BYXXFUXRWVGIFI-GFCCVEGCSA-N 312.373 2.104 0 40 DEAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2ccnn2C)C3)c1 306130761 JORHIAGEGVJGME-UHFFFAOYSA-N 321.384 2.248 0 40 DEAB O=C(Nc1cccc(F)c1)[C@H]1CCCN(c2ncccn2)C1 35311963 NXOFOYOIACFPTH-LBPRGKRZSA-N 300.337 2.471 0 40 DEAB Cn1cc(-c2nnc3sc(Cc4ccc(F)cc4)nn23)cn1 72405120 CCTRDXIOAPSOFD-UHFFFAOYSA-N 314.349 2.316 0 40 DEAB Cc1nn(C)cc1-c1cc(C(=O)O)n2nc(C)c(Cl)c2n1 36615708 YPPIMWGJHCOKDT-UHFFFAOYSA-N 305.725 2.098 0 40 DEAB COCCNC(=O)Cc1csc(COc2ccc(C)cc2)n1 32193290 LNNSKFSOYKLJBY-UHFFFAOYSA-N 320.414 2.336 0 40 DEAB CC(C)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C 72320774 DGEUBIRLCXVMCO-PBHICJAKSA-N 321.465 2.462 0 40 DEAB biogenic,in-vitro COCCCNS(=O)(=O)c1cc(C(C)C)ccc1OC 74934735 FWWZSLWAGYAZSE-UHFFFAOYSA-N 301.408 2.133 0 40 DEAB O=C(c1cccs1)N1CCC[C@@H](c2ccnc3ncnn23)C1 72334876 FCAICFAFXQTSTQ-LLVKDONJSA-N 313.386 2.206 0 40 DEAB O=C(N[C@H]1CCCN(c2ccccc2)C1=O)c1cscn1 74684889 IGPMFIBCXUVDJW-LBPRGKRZSA-N 301.371 2.069 0 40 DEAB O=C(NC1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C1CC1 48386515 QIELGNGVDMLFEO-UHFFFAOYSA-N 311.385 2.299 0 40 DEAB COc1cccc(CCNC(=O)[C@@H]2CCc3[nH]c(C)nc3C2)c1 225518364 SZUJFFMABOFIPP-CQSZACIVSA-N 313.401 2.191 0 40 DEAB CCNC(=O)c1cc2nc(C(=O)O)n(C3CC3)c2cc1Cl 225731342 QQWJZPZFBLAFQJ-UHFFFAOYSA-N 307.737 2.473 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 225215794 SKMGXGFOKHUILF-SECBINFHSA-N 318.826 2.486 0 40 DEAB CC(C)OCc1cccc(NC(=O)N[C@@H]2C(=O)NCC[C@H]2C)c1 193976105 STIFRZRXMBEBFB-DOMZBBRYSA-N 319.405 2.258 0 40 DEAB CC(C)NC(=O)[C@H]1CN(Cc2ccoc2)CC12CCOCC2 96078601 BKFZUZANIAIQSR-OAHLLOKOSA-N 306.406 2.033 0 40 DEAB Cn1cc(CN2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)cn1 96110649 VKKQHANJDGATJF-IAGOWNOFSA-N 314.408 2.123 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 96053922 IJLOLRJWONVDFE-TXEJJXNPSA-N 319.455 2.409 0 40 DEAB COc1cnc(O[C@@H]2CCN(Cc3ccccc3F)C2)nc1 1203359839 KLAQKTOOFRUBRB-CYBMUJFWSA-N 303.337 2.278 0 40 DEAB CN(C)c1ncnc2c1CN(c1ncnc3ccsc13)CC2 97201981 PHSUITFEHPEHLM-UHFFFAOYSA-N 312.402 2.110 0 40 DEAB Cc1ccc(OC[C@@H](O)Cn2cc(Br)cn2)cc1 95438768 DCLMXHKBWDYTCL-LBPRGKRZSA-N 311.179 2.394 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(Cc1cccc(OC)c1)CC2 96421788 DMAHSPSVYCMKQC-IRXDYDNUSA-N 305.418 2.447 0 40 DEAB CN1CCC2(CC1)CN(C(=O)c1cnccn1)Cc1ccccc12 96242389 BYDVRYBGEPIYBR-UHFFFAOYSA-N 322.412 2.096 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@](O)(/C=C/c2ccccc2)[C@H](N)C1 95951392 HWCDIWRBWBGUPO-NKUAOLACSA-N 318.417 2.399 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)o1 96186482 FBZUROFXSAZMPS-HOTGVXAUSA-N 314.389 2.091 0 40 DEAB CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@H]2CCCOC2)cc1 96422340 XPCHEAAPCWMBGS-HNNXBMFYSA-N 318.417 2.371 0 40 DEAB CCO[C@H]1CO[C@@]2(CCCN(C(=O)c3cccc(OC)c3)C2)C1 96107220 IJPLOWZMKVHHBC-AEFFLSMTSA-N 319.401 2.495 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@H]2c2cccc(F)c2)cc1 242574946 NLISCQDDKOTVIM-OAGGEKHMSA-N 305.374 2.401 0 40 DEAB CCc1cccc(CC)c1NC(=O)C[C@H]1SC(NC)=NC1=O 255190183 VMRLCCHHDDAWBY-GFCCVEGCSA-N 319.430 2.357 0 40 DEAB Clc1cccc(OCCc2cc([C@@H]3CNCCO3)n[nH]2)c1 257324055 WMYIVDONHAOWGC-HNNXBMFYSA-N 307.781 2.346 0 40 DEAB Nc1cnc(C[C@H]2CCCN(C(=O)c3cscn3)CC2)cn1 257263237 LOZNZLNGJYLXQR-NSHDSACASA-N 317.418 2.000 0 40 DEAB COc1ccc(F)cc1C(=O)N1CCCC[C@H]2CNCC[C@H]21 257231612 GHLJQDAYGDTQGM-SWLSCSKDSA-N 306.381 2.439 0 40 DEAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)Cc3ccccc3)C2)n1 390828352 QPPDJICTLLQVQP-INIZCTEOSA-N 311.385 2.316 0 40 DEAB CCC1CCC(NC(=O)C(=O)NCc2ccc(OC)cc2)CC1 298136231 ZYCWEFLDECZHPU-UHFFFAOYSA-N 318.417 2.396 0 40 DEAB Cc1cc(C[C@@H](C)NC[C@@H](O)COc2ccc(Cl)cc2)n[nH]1 572274881 RBVXMIVTICNATE-IAQYHMDHSA-N 323.824 2.332 0 40 DEAB O=C1CCCN1CC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21 585112140 IWJPBWHACHIIGR-GOSISDBHSA-N 324.428 2.453 0 40 DEAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H](C(=O)O)C1 41565002 JINRKKBYQYYDRV-ZJUUUORDSA-N 313.300 2.055 0 40 DEAB CNC(=O)C1CCN(c2ccc3cc(Cl)cnc3n2)CC1 891644214 TVLBDBCRRDEEJN-UHFFFAOYSA-N 304.781 2.246 0 40 DEAB CC[C@@H]1COCCN1C(=O)Nc1nnc(C(F)(F)F)s1 96433839 VNHBKEGBTHJYKV-ZCFIWIBFSA-N 310.301 2.200 0 40 DEAB COc1ccccc1CC(=O)N1CC[C@H](Oc2nccs2)C1 585320818 UHXRQLROVFCIHD-ZDUSSCGKSA-N 318.398 2.374 0 40 DEAB O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCCO2 12241661 XZJXRNMNXBJFNY-YNEHKIRRSA-N 323.414 2.172 0 40 DEAB c1cc(-c2cnc(N3CCOCC3)nc2[C@@H]2CCCO2)ccn1 19405708 COSIRGFKMBGOHW-HNNXBMFYSA-N 312.373 2.227 0 40 DEAB Clc1cnc(OC2CCN(CC3CCOCC3)CC2)nc1 1888834540 FVUQPUBMWJUWPQ-UHFFFAOYSA-N 311.813 2.400 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC[C@H](COc2ncccn2)C1 1775995007 ICJWKEDISHGVJF-ZDUSSCGKSA-N 316.361 2.013 0 40 DEAB CCC(CC)C(=O)NCc1nnnn1-c1ccc(Cl)cc1 9570692 QVQDJAVTZFXVHC-UHFFFAOYSA-N 307.785 2.368 0 40 DEAB COc1ccc(NS(=O)(=O)c2ccccc2N)cc1OC 20019553 CLNTXNCXXVPLTI-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)NC[C@@H](O)c1ccoc1 75171858 RDDBLDYKFSOTSK-CYBMUJFWSA-N 315.778 2.086 0 40 DEAB CC[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 40091345 FNNFZBLJPVFZJM-LBPRGKRZSA-N 322.430 2.382 0 40 DEAB O=C(Cn1ncc(=O)c2ccccc21)N[C@H]1CCc2ccccc21 40476175 GQYHQDRVQUARSK-INIZCTEOSA-N 319.364 2.200 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CC=CCC2)cc1C(=O)O 45630225 HRVZUXWLHARMRU-GFCCVEGCSA-N 309.387 2.328 0 40 DEAB CCc1cc2c(N3CCN(C(=O)N(C)C)CC3)ncnc2s1 40520130 SKXZHMGUFXVZBI-UHFFFAOYSA-N 319.434 2.057 0 40 DEAB O=C(COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)NCc1ccc(F)cc1 100919023 JEUPBRFQQQWCQK-KCQAQPDRSA-N 303.333 2.197 0 40 DEAB O=C(OCCN1CCOC1=O)c1cccc(-n2cccc2)c1 29392875 BJAKDOXOOQAFJP-UHFFFAOYSA-N 300.314 2.086 0 40 DEAB CC(=O)N[C@H](CC(=O)NCCc1ccccn1)c1cccs1 32657276 QEBDMRDVZWZIHU-CQSZACIVSA-N 317.414 2.069 0 40 DEAB COC[C@H](C)NC(=O)c1ccc(OCc2ccncc2)cc1 29753785 LTOFVABXWKMAKX-ZDUSSCGKSA-N 300.358 2.425 0 40 DEAB Cc1ccc(OCC(=O)N2CCC(c3nc(C)no3)CC2)cc1 41123089 CPCXXGJWFURXOA-UHFFFAOYSA-N 315.373 2.471 0 40 DEAB Cc1nc(SCC(=O)NC(=O)NC(C)(C)C)nc(C)c1C 2621237 GSIMVNYSVDCKOB-UHFFFAOYSA-N 310.423 2.118 0 40 DEAB COc1cc(C(=S)N2CCCCC2)ccc1OCC(=O)O 9189021 GGXNFAQPDMXVQQ-UHFFFAOYSA-N 309.387 2.320 0 40 DEAB CCOc1ccccc1C(=O)NCC(=O)N1CCC(C)CC1 2642848 KTBYUWLDJZVOJP-UHFFFAOYSA-N 304.390 2.074 0 40 DEAB O=C(N=c1[nH]c2ccccc2[nH]1)c1c[nH]c2ccccc2c1=O 53756928 ZPAMEVNETNOYDW-UHFFFAOYSA-N 304.309 2.079 0 40 DEAB NC(=O)[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 12259228 FPBNQVFPBNNCDR-LBEMJPCMSA-N 315.369 2.152 0 40 DEAB O=C(c1cc(Br)c[nH]1)N(CCO)Cc1ccccc1 37499693 DGYGMMITYVLTLF-UHFFFAOYSA-N 323.190 2.412 0 40 DEAB in-vitro CC(C)(C)c1ccccc1NC(=O)CCN1C(=O)CCC1=O 21587084 XAEVJCOVZZKXAK-UHFFFAOYSA-N 302.374 2.462 0 40 DEAB CCSc1nnc(NC(=O)NCc2ccccc2CO)s1 58023851 YGCWFUZSULDYDF-UHFFFAOYSA-N 324.431 2.464 0 40 DEAB O=C(NC1CC1)c1occc1CS(=O)(=O)c1ccccc1 27481816 GVPOYOFGEIGWNB-UHFFFAOYSA-N 305.355 2.146 0 40 DEAB CCCc1cc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)sc1C 7478497 PEZVSZGPVPVEAV-SECBINFHSA-N 324.402 2.106 0 40 DEAB CC(C)c1ccc(OCCC(=O)NCc2nncn2C)cc1 58378404 LCZBGXADSRNLSW-UHFFFAOYSA-N 302.378 2.024 0 40 DEAB CN(CC(=O)OCc1cccc2cccnc12)c1ncccn1 23174062 NSZFWBYCSUMKTL-UHFFFAOYSA-N 308.341 2.204 0 40 DEAB COc1cc(OC)cc(C(=O)NCCc2cccc(O)c2)c1 58403512 CBVYIMMLQLTECN-UHFFFAOYSA-N 301.342 2.382 0 40 DEAB CC(C)c1csc(NC(=O)c2ccc(OCC(N)=O)cc2)n1 10639556 POIKYKLKOKNVEP-UHFFFAOYSA-N 319.386 2.383 0 40 DEAB C[C@@H]1CCCCN1C(=O)NCCc1nnc2n1CCCCC2 45385426 BLYLTKNOOMOHEG-CYBMUJFWSA-N 305.426 2.131 0 40 DEAB CN(C)S(=O)(=O)c1ccc(CN2CCC[C@@H]2c2ccc[nH]2)o1 48262165 TZCXFMJJAMFCQN-CQSZACIVSA-N 323.418 2.195 0 40 DEAB OCCn1ncc2c1CCC[C@@H]2Nc1ncnc2ccccc12 48331720 ZMFKXYRAEHNEEZ-HNNXBMFYSA-N 309.373 2.308 0 40 DEAB Cc1cc(C(=O)Nc2nccs2)ccc1N1CCNC1=O 48362975 XHGWGUFGYURELV-UHFFFAOYSA-N 302.359 2.233 0 40 DEAB Cc1nn(C)c2ncc(CNC[C@@H]3Cc4ccccc4O3)cc12 48353680 YDERWLXBIVUKDX-HNNXBMFYSA-N 308.385 2.370 0 40 DEAB COCCN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 409125316 JRVNQJUNOJEGBD-UKTHLTGXSA-N 323.370 2.387 0 40 DEAB Cc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1C 12983031 BEDSXEHQWNEEJW-UHFFFAOYSA-N 324.388 2.121 0 40 DEAB Cc1ccccc1C(C)(C)CNC(=O)[C@@H]1CCCN(C(N)=O)C1 69486815 BZXNVUIEXCXAES-CQSZACIVSA-N 317.433 2.180 0 40 DEAB Cc1nn2c(=O)cc(CSc3ccc(O)cc3)nc2s1 49493931 DJDQWQBPSRTJHS-UHFFFAOYSA-N 305.384 2.457 0 40 DEAB O=C1CC[C@H](C(=O)OCc2nc3ccccc3n2C(F)F)CN1 49634009 ARONUKASXYSMRE-VIFPVBQESA-N 323.299 2.001 0 40 DEAB CNC(=O)NC(=O)CSc1nc(C)c(C)n1C1CCCC1 5090164 BISSQRDYESQCJI-UHFFFAOYSA-N 310.423 2.163 0 40 DEAB Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3ccccc3)N2)cc1 9668440 CNWCAJKOPWPTJJ-OAHLLOKOSA-N 322.368 2.290 0 40 DEAB COc1cc(CN2CC[C@H](NC(=O)C(C)(C)C)C2)cc(OC)c1 89621290 KYOQHTSQXODFAZ-AWEZNQCLSA-N 320.433 2.440 0 40 DEAB CCC[C@@H](C)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 5705890 BSFXJVGHKDRBBJ-WAFBPQNNSA-N 319.357 2.277 0 40 DEAB Cc1cccc(NC(=O)CN(C)Cc2nc(CC(C)C)no2)n1 69349521 YLDOOTBVHCJCQT-UHFFFAOYSA-N 317.393 2.042 0 40 DEAB O=C(Cn1ccccc1=O)N1CCCC[C@H]1Cc1ccccc1 69557963 CBWSHLCMJWSTFI-KRWDZBQOSA-N 310.397 2.472 0 40 DEAB CCc1nnc2n1C[C@H](CNCc1ncc(C(C)(C)C)o1)CC2 69664940 CQBBUKVVPOWHIN-LBPRGKRZSA-N 317.437 2.478 0 40 DEAB CC(C)c1cc(C(=O)N2CCN(c3ccccn3)CC2)no1 82315710 ICMQJARWAMTWQC-UHFFFAOYSA-N 300.362 2.155 0 40 DEAB C[C@H](NCC(=O)N(C)Cc1cccs1)[C@@H](C)n1cccn1 69920070 DHEYSHNNFWJUIW-QWHCGFSZSA-N 306.435 2.142 0 40 DEAB COc1ccccc1OCC(=O)Nn1c(C)cc(C=O)c1C 408568035 RRGGVOFHCLSOGG-UHFFFAOYSA-N 302.330 2.075 0 40 DEAB Nc1cc(=O)[nH]c(SCCCC(=O)c2ccc(F)cc2)n1 8705629 YEGGFQCAJKKDDH-UHFFFAOYSA-N 307.350 2.246 0 40 DEAB Cc1cc(C)c(CNC(=O)c2ccnc3ccccc23)c(=O)[nH]1 84072803 RNFCEACSQMTKOQ-UHFFFAOYSA-N 307.353 2.470 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1F 19422903 IDWWBMJBLPPLNL-SNVBAGLBSA-N 316.126 2.277 0 40 DEAB O=C(NCCCOCC1CCOCC1)NCc1cccs1 76019922 OLSBOVVSOZRLBP-UHFFFAOYSA-N 312.435 2.381 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 72235157 JKCGHNZYLSSTNC-HNNXBMFYSA-N 314.389 2.137 0 40 DEAB O=C(c1ccc(Cl)cc1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72281277 OGQUVRYVOBYWMA-HUUCEWRRSA-N 308.809 2.011 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1ccc2ccccc21 71829720 BREUNOXPDMLWIW-ZFWWWQNUSA-N 313.401 2.144 0 40 DEAB CCCCN(C)S(=O)(=O)Nc1cc(F)c(OC)c(F)c1 72292294 NACCAPKUIZZYAW-UHFFFAOYSA-N 308.350 2.362 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1ccn[nH]1)c1ccc2ccccc2c1 97085012 VAQBXPSFYGHRHN-QGZVFWFLSA-N 323.352 2.136 0 40 DEAB Cc1cccc(C)c1-n1nnnc1SCN1CCCCC1=O 97080533 UVPZNYTUDHSHQB-UHFFFAOYSA-N 317.418 2.341 0 40 DEAB Cc1n[nH]cc1CNC1CCN(C(=O)c2ccccc2F)CC1 97159606 JCVVMXMBTCGZJQ-UHFFFAOYSA-N 316.380 2.252 0 40 DEAB O=C(NCCNc1ncccn1)[C@H]1SCCc2ccccc21 72302802 FPITUANWDKLSII-AWEZNQCLSA-N 314.414 2.035 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@H]3CC=CCC3)CCO2)n1 78889113 IKTZVLDMLZNXRZ-STQMWFEESA-N 304.394 2.184 0 40 DEAB OCCCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 97372239 VKDOQDBKZWJGJI-UHFFFAOYSA-N 301.177 2.046 0 40 DEAB C[C@H]1CCCN(C(=O)[C@H](C)n2cc(Br)cn2)C1 28224549 HPLNJALBHRSPJN-UWVGGRQHSA-N 300.200 2.465 0 40 DEAB c1ccc2c(c1)CC[C@H]2NC[C@@]1(N2CCOCC2)CCSC1 95420886 DMKZDBKOFRVVMP-MSOLQXFVSA-N 318.486 2.471 0 40 DEAB CC(=O)c1csc(C(=O)N[C@@H](CO)Cc2ccccc2)c1 95452597 ZDAAOFUMNWPHQG-CQSZACIVSA-N 303.383 2.284 0 40 DEAB Cc1ccoc1C(=O)Nc1ccc(CN2CCOCC2)cn1 95443705 MNBWFTVSVYEJRQ-UHFFFAOYSA-N 301.346 2.068 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)OC[C@H]2COC(C)(C)O2)c1 95450753 KCIWTYKIBDBSPJ-NSHDSACASA-N 311.309 2.092 0 40 DEAB CC[C@H](NC[C@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 84718746 ROVCGQJFOOAQSK-OLZOCXBDSA-N 317.393 2.064 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCCCCn2ccnc2)C12CCC2 84800786 KGSMIVOKMFVOPF-LSDHHAIUSA-N 320.437 2.310 0 40 DEAB CO[C@]1(C)C[C@@H](NC(=O)c2cccc(-n3cncn3)c2)C1(C)C 73265911 VVGCMKZWAVNKFC-RHSMWYFYSA-N 314.389 2.201 0 40 DEAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1ccccc1OCCO 95987946 QEYWUNINMWWQEP-OIISXLGYSA-N 305.418 2.351 0 40 DEAB 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0 40 DEAB O=C(Cc1ccccc1Cl)N1CCC[C@H]1Cn1nccn1 675007858 VWYDHZJEOYLDKD-ZDUSSCGKSA-N 304.781 2.165 0 40 DEAB COc1cccc2c1cc(C(=O)NCCn1ccnc1C)n2C 12147304 CRHYWMJXGSXBEI-UHFFFAOYSA-N 312.373 2.122 0 40 DEAB COc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1OC 19987486 ZHGWWAAMLZNOMU-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB CC(C)Oc1ccc(/C=C(/C#N)C(=O)NC(N)=O)cc1Cl 6345870 RKTWAYDCOPOFLF-YHYXMXQVSA-N 307.737 2.229 0 40 DEAB CCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)NC(N)=O 7127048 ZGSCQEFYVRLTQB-JTQLQIEISA-N 318.402 2.246 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1F 1614936628 AYBQQCNKXXVQSK-ZMSDIMECSA-N 307.365 2.163 0 40 DEAB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]21 4320393 LLBBWARKCUMGMJ-BASLNEPJSA-N 318.332 2.041 0 40 DEAB CCOc1nn(CC)cc1C(=O)Nc1ccc2c(c1)OCO2 9070488 KPDDCUDPARTBLJ-UHFFFAOYSA-N 303.318 2.283 0 40 DEAB COc1cc(OC)cc(C(=O)NC[C@@H](c2ccco2)N(C)C)c1 10328229 IAPOTEQCFCGLFI-HNNXBMFYSA-N 318.373 2.330 0 40 DEAB CCCNC(=O)Cc1csc(NC(=O)c2ccccc2)n1 14063317 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320.267 2.312 0 40 DEAB COc1ccc(Cc2nnc(NC(=O)[C@@H]3CCCO3)s2)cc1 804588 GLZGJTWFQGXTSA-LBPRGKRZSA-N 319.386 2.255 0 40 DEAB NC(=O)c1cccnc1NC[C@H](c1ccco1)N1CCCCC1 22977031 KKASGDYCLADPOE-CQSZACIVSA-N 314.389 2.413 0 40 DEAB Cn1cc(C(=O)N=c2[nH]c3ccccc3[nH]2)c2ccccc2c1=O 61720674 RHLYOSHCOXQNPK-UHFFFAOYSA-N 318.336 2.089 0 40 DEAB COCCNC(=O)CSCc1ccccc1Br 66315234 RAOQGLRDISWWTK-UHFFFAOYSA-N 318.236 2.445 0 40 DEAB Cc1c[nH]/c(=N/C(=O)c2cc(N3CCCC3=O)ccc2Cl)[nH]1 89852496 HOASIFHCIVOZCC-UHFFFAOYSA-N 318.764 2.173 0 40 DEAB CCc1sc(C(=O)NCC(=O)NCc2ccco2)cc1C 24650201 CJXUBMPIWUKDIH-UHFFFAOYSA-N 306.387 2.258 0 40 DEAB CCn1nc(C)c2ncnc(N3CCN(c4ccccc4)CC3)c21 57312428 WSCXATAIUGIUAU-UHFFFAOYSA-N 322.416 2.481 0 40 DEAB C[C@@H](CCC1CCCCC1)NC(=O)NCCCS(C)(=O)=O 89895327 DPCHCZCCAKFNGB-ZDUSSCGKSA-N 318.483 2.469 0 40 DEAB COc1ccc(C)cc1C1(CNC(=O)N2CCC2)CCOCC1 56962030 JVPFGTMUUGQEKU-UHFFFAOYSA-N 318.417 2.467 0 40 DEAB COc1ccc(CNC(=O)c2nc(SC)ncc2Cl)cn1 44012093 ZULMKWRAGJQTFU-UHFFFAOYSA-N 324.793 2.186 0 40 DEAB O=C(COc1ccc(F)cc1F)NCCc1cccc(O)c1 58178099 IOXUSGHEZGXBCJ-UHFFFAOYSA-N 307.296 2.408 0 40 DEAB Cc1nc2ccc(NCC(=O)N3CCO[C@@H](C)C3)cc2s1 44892980 WTLCIYCZLZSCOJ-JTQLQIEISA-N 305.403 2.264 0 40 DEAB CC[C@@H](CCNC(=O)Cc1ccccc1OC)N1CCCC1=O 58266805 SILRZLGOMHLTGI-HNNXBMFYSA-N 318.417 2.145 0 40 DEAB O=C(NCCCCN1CCOCC1)c1ccc2ncsc2c1 44952667 LPHSVVHBBJXESS-UHFFFAOYSA-N 319.430 2.139 0 40 DEAB CNC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1 58342455 XPYQNWQNHSKRKQ-UHFFFAOYSA-N 310.400 2.217 0 40 DEAB COC(=O)[C@H](C)CN(C)C(=O)c1cc2ccccc2c(OC)n1 58393143 XVWYDLBFHYPXCP-LLVKDONJSA-N 316.357 2.125 0 40 DEAB C[C@H](Sc1nnc(NCCc2ccccc2)s1)C(N)=O 10775504 UGRMGSFMBYJFKM-VIFPVBQESA-N 308.432 2.159 0 40 DEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1 12755341 ZIHOYUYGXLNYQO-LBPRGKRZSA-N 324.446 2.086 0 40 DEAB O=C(NCCCn1ccnc1)[C@@H]1COc2ccc(Cl)cc2C1 48299626 MYIWMQDSXZDZOX-ZDUSSCGKSA-N 319.792 2.294 0 40 DEAB C[C@@H]1C[C@H]1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 3410362 FQPQBYQPTGBKAM-BXUZGUMPSA-N 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Cc1cccc(CNC(=O)Nc2ccnc(C(=O)N(C)C)c2)c1 77718100 PXIVFHCQJZZVMJ-UHFFFAOYSA-N 312.373 2.414 0 40 DEAB CCc1nnsc1C(=O)Nc1cccc(-c2nncn2C)c1 32817510 ZFLGXLDOLVDGRO-UHFFFAOYSA-N 314.374 2.148 0 40 DEAB CCN(CC)[C@@H](CNC(=O)c1cnccn1)c1ccsc1 31987649 BVBSBKHTFYLDOI-AWEZNQCLSA-N 304.419 2.351 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(NC3CC3)ncn2)C1 79439482 GCNDRINEZNODLG-GFCCVEGCSA-N 319.409 2.472 0 40 DEAB O=C(c1ccccc1F)N1CCC(O)(c2cccnc2F)CC1 72340007 CSMIZDVKMVHNIF-UHFFFAOYSA-N 318.323 2.484 0 40 DEAB CO[C@@H]1CCC[C@@H]1OC(=O)C1CCN(C(=O)N2CCCC2)CC1 78985239 FJIVLXKRUDQCKY-CABCVRRESA-N 324.421 2.025 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@](O)(CN)c2ccccc2)C1 72208101 QRWKUVKFTZFVNW-QAPCUYQASA-N 320.433 2.480 0 40 DEAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCC(N)=O)cc1 225729626 MZNGMOPLMOKWIL-MRXNPFEDSA-N 308.378 2.085 0 40 DEAB COc1ccc2cc(C(=O)NC[C@@H]3CCCO3)c(C)nc2c1 138220961 AQNXCVSPNWOARK-AWEZNQCLSA-N 300.358 2.461 0 40 DEAB Cc1ccc(CCNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cc1 41546454 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DEAB COc1cccc(C(=O)CSc2ncnc3c2cnn3C)c1 11677715 KSENWJNQNWIHIL-UHFFFAOYSA-N 314.370 2.347 0 40 DEAB O=C(COc1ccccc1)NCCc1nc(-c2ccccc2)no1 32593584 HEOPFSNFIKIILI-UHFFFAOYSA-N 323.352 2.474 0 40 DEAB NC(=O)NCc1ccc(C(=O)NCc2ccccc2Cl)cc1 21555808 JFXQEWDTEJYLRE-UHFFFAOYSA-N 317.776 2.438 0 40 DEAB O=C(NCc1cccs1)C(=O)NCc1ccccc1Cl 10326639 PYOFNEXJKFRLKZ-UHFFFAOYSA-N 308.790 2.334 0 40 DEAB COCCn1cnnc1S[C@@H](C)c1nc(-c2ccco2)no1 32809256 BZTWGNAZTGYCDJ-VIFPVBQESA-N 321.362 2.421 0 40 DEAB CCOC(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1 58087940 BVBXYFSKQXFRKV-UHFFFAOYSA-N 310.781 2.183 0 40 DEAB CC[C@H](C(N)=O)N(C)CC1(C)CCN(Cc2ccccc2)CC1 69871662 BHCDPBRUFLRYSG-QGZVFWFLSA-N 317.477 2.484 0 40 DEAB CCN(CC)[C@H](C)CNC(=O)COCc1cccc(OC)c1 46766972 BTFFNKOWVXOUFD-CQSZACIVSA-N 308.422 2.058 0 40 DEAB COCCS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl 37310431 PAIVEXNICBEYFN-UHFFFAOYSA-N 313.158 2.112 0 40 DEAB in-vitro O=C(Nc1ccc(F)cc1OC(F)F)c1nc2ncccn2n1 2808935 OYPBFPMKSCXHKH-UHFFFAOYSA-N 323.234 2.117 0 40 DEAB c1ccc(-c2nnc3ccc(NCCn4cccn4)nn23)cc1 75127311 GLKKHZLBEBRHAE-UHFFFAOYSA-N 305.345 2.100 0 40 DEAB CCn1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1=O 47230560 AXXOCPNYBVJAMH-UHFFFAOYSA-N 310.309 2.227 0 40 DEAB CCc1cccc(C)c1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 103037334 NSRKZZXYNPJBJW-NWDGAFQWSA-N 310.444 2.211 0 40 DEAB CNC(=O)[C@@H]1CCCN1Cc1nnc(-c2ccc(Cl)cc2)o1 67978831 VTBCDMHGGSNULI-LBPRGKRZSA-N 320.780 2.100 0 40 DEAB C[C@@H]1Oc2ccc(NC(=O)c3cn4ccccc4n3)cc2NC1=O 24390230 FEKCAZHPJBTDPI-JTQLQIEISA-N 322.324 2.306 0 40 DEAB C[C@H](NC(=O)c1ccoc1)C(=O)NCCO[C@@H]1CCCC[C@@H]1C 106113026 PVNGHKAAARFAAV-KCQAQPDRSA-N 322.405 2.109 0 40 DEAB O=C(C=C(C1CC1)C1CC1)N[C@@H]1CCCN(c2ncccn2)C1 55418211 PMPGHSZOYSBHOE-OAHLLOKOSA-N 312.417 2.308 0 40 DEAB Cc1cc(OCCN2CCOCC2)cc2c1C(=O)CC(C)(C)O2 20507300 JCEKYXQSPSFHAN-UHFFFAOYSA-N 319.401 2.450 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1 106778981 UKPPWCQFUNBRBE-IAGOWNOFSA-N 302.418 2.323 0 40 DEAB CC(C)N1C[C@H](C(=O)NCCCCCN2CCCCC2)CC1=O 69739300 HKVBRGIGDOBBFF-MRXNPFEDSA-N 323.481 2.016 0 40 DEAB Cc1ccc(-c2noc([C@@H](C)N3CC[C@@H](C(N)=O)C3)n2)cc1F 106824370 YICDXRLCZJCXNL-ZYHUDNBSSA-N 318.352 2.052 0 40 DEAB O=C(NCc1cccnc1)c1cn(-c2ccccc2Cl)nn1 57511496 GCLLNHFPUCWLFZ-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB O=C(O)[C@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 70458309 HDCQJYGJEUIPQF-NSHDSACASA-N 305.309 2.172 0 40 DEAB COCCOc1ccc(NC(=O)[C@@H](C)n2cncn2)cc1Cl 58052530 OMFONTOXILWFQN-SNVBAGLBSA-N 324.768 2.156 0 40 DEAB O=C(NCc1cn2c(n1)CCCC2)c1cnc2ccccc2n1 58304884 AMUCCYKRVVJISO-UHFFFAOYSA-N 307.357 2.093 0 40 DEAB CC(C)NC(=O)CN(C)Cc1cc(Cl)cc2c1OCOC2 7794992 NJHJLASCGDBLBZ-UHFFFAOYSA-N 312.797 2.163 0 40 DEAB CCc1noc(C)c1C(=O)NCCOc1ccc(OC)cc1 48265179 YBTPWSUSRPQBAK-UHFFFAOYSA-N 304.346 2.363 0 40 DEAB NC(=O)c1cnc(NCc2cn3ccccc3n2)c(Cl)c1 48272521 JZZIOJDTKMALFP-UHFFFAOYSA-N 301.737 2.094 0 40 DEAB COC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccco2)cc1 7897482 OGROUJNZBBAHDY-LLVKDONJSA-N 303.314 2.322 0 40 DEAB CN1C(=O)/C(=C\c2c(Cl)nc3sccn23)N(C)C1=S 3419336 KFTUJXFWPOWMLR-FNORWQNLSA-N 312.807 2.079 0 40 DEAB C[C@H](c1ccccc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C 16345290 HFGGCMLBWQAEDF-CQSZACIVSA-N 319.449 2.053 0 40 DEAB Cc1ccc(OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 20915655 FYHZIJSKJQCWQK-HNNXBMFYSA-N 313.353 2.330 0 40 DEAB CC(C)CNC(=O)C[S@@](=O)Cc1coc(-c2ccccc2)n1 64810900 IHEBZRHABZNBDW-JOCHJYFZSA-N 320.414 2.363 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 170620966 QKVLBDTVSNTDJH-LALPHHSUSA-N 320.414 2.136 0 40 DEAB CC(=O)c1cccc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)c1 6503430 VENIYLJYZMHWDI-UHFFFAOYSA-N 309.325 2.205 0 40 DEAB O=C1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 6588868 NECCRLARFQAYIY-UHFFFAOYSA-N 308.186 2.347 0 40 DEAB OCCNCCNCc1ccccc1OCc1ccccc1F 23468442 FUOHUYCGVFQKIC-UHFFFAOYSA-N 318.392 2.076 0 40 DEAB O=C(Cc1cccc(F)c1)Nc1ccc(N2CCOCC2)nc1 14728950 LKQBQOWGRPTTOK-UHFFFAOYSA-N 315.348 2.239 0 40 DEAB Cc1ccccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 14941705 VFOLPHAEFUKKGB-UHFFFAOYSA-N 317.410 2.470 0 40 DEAB CCc1noc(C)c1C(=O)OCc1nc2ccccc2c(=O)[nH]1 7048003 VMXDQLZLLBIMJL-UHFFFAOYSA-N 313.313 2.139 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cc3c(s2)CCC3)c(=O)[nH]1 7118154 PGOYYRZABBZBNA-UHFFFAOYSA-N 302.399 2.472 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1cnc(C(C)(C)C)s1)CC2 69918908 WWLQIDYSMGBRLE-LLVKDONJSA-N 305.451 2.445 0 40 DEAB Cc1cc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccc[nH]2)c(C)o1 84081531 PJIWUTDGVCFAIU-OAHLLOKOSA-N 315.373 2.318 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1ccc(C)s1)C2 71864861 ULRFMCLOZPGWTM-NEPJUHHUSA-N 316.430 2.356 0 40 DEAB Cc1ccc(CN(C)C(=O)CN2CC(=O)Nc3ccccc32)o1 71862830 JIPJMFANHNDTBR-UHFFFAOYSA-N 313.357 2.005 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1cccc(Cl)c1 71823421 RNKNCEGKDXKJOS-CFLAWFISSA-N 306.793 2.466 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2CC(=O)N2CCc3ccccc32)c1 71875789 IHAWOGFIGILSHP-KRWDZBQOSA-N 324.428 2.245 0 40 DEAB c1ccc2[nH]c(N3CCCN(CCCn4ccnc4)CC3)nc2c1 97034139 UELRVZRMHOLJIE-UHFFFAOYSA-N 324.432 2.362 0 40 DEAB Cc1nc(Cn2cc(CCCO)c(C(F)(F)F)n2)oc1C 97047984 SJLLMAXVWIRSNK-UHFFFAOYSA-N 303.284 2.480 0 40 DEAB COc1ccc(CCCC(=O)N2CCc3[nH]ncc3C2)cc1F 84580848 FLZDHRGFUGGVTE-UHFFFAOYSA-N 317.364 2.465 0 40 DEAB CCc1noc([C@H](C)N[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 76056425 NIHWAFHAXIMQSK-RWMBFGLXSA-N 308.426 2.176 0 40 DEAB O=c1ccc(C(F)(F)F)nn1Cc1ccc(-n2cccn2)cc1 95437156 LBBIRKRHGMITHW-UHFFFAOYSA-N 320.274 2.496 0 40 DEAB CC(=O)CCCCCCC(=O)N1CC(=O)N[C@H]2CCCC[C@@H]21 95449995 UZUVHUPTPNRZEA-GJZGRUSLSA-N 308.422 2.186 0 40 DEAB COCc1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C[C@H](C)N2 95471711 VMDZWAIGLVZWQN-GXFFZTMASA-N 318.377 2.235 0 40 DEAB CCOC(=O)NCCC(=O)N1CC=C(c2ccc(OC)cc2)C1 95456657 ZWARXLBVMZVXEV-UHFFFAOYSA-N 318.373 2.057 0 40 DEAB Cc1ncsc1C(=O)N1CCN(c2ccncc2Cl)CC1 95437742 YNOPDDKCDDBRKP-UHFFFAOYSA-N 322.821 2.462 0 40 DEAB Cc1nc(CCN[C@@H](C)c2ccc(-n3cnnn3)cc2)cs1 95419981 SDWOYGFZFZYXAS-NSHDSACASA-N 314.418 2.321 0 40 DEAB O=C(NC1CC1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 97943938 HHXYGVICBLLGGU-CYBMUJFWSA-N 318.764 2.095 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 73381115 WXUIQHLAOOLLTQ-TXEJJXNPSA-N 306.410 2.296 0 40 DEAB C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnc(Cl)n2C)[C@@H]1C 79108315 ZORHYBSRJNIVGD-OPRDCNLKSA-N 305.831 2.177 0 40 DEAB Cc1cccc(C2(NC(=O)[C@H]3CCC(=O)NC3)CCCC2)c1 66511545 SLAWBWFOJGFHNW-AWEZNQCLSA-N 300.402 2.407 0 40 DEAB CC1(C)Cc2n[nH]cc2CN(c2ncnc(C(C)(C)C)n2)C1 1550631104 QPMXCUHBFRYRQG-UHFFFAOYSA-N 300.410 2.481 0 40 DEAB COc1cccc(C(=O)N2[C@H](C(=O)O)COC23CCCCC3)c1 71979755 RTCWHSBUFBQRPW-AWEZNQCLSA-N 319.357 2.281 0 40 DEAB CS(=O)(=O)c1ccc(-c2cnc([C@H]3CCCNC3)cn2)cc1 72365393 JOTMUZOMCGUDFX-ZDUSSCGKSA-N 317.414 2.014 0 40 DEAB CCCC(=O)NCC(=O)NCc1cccc(C(F)(F)F)c1 32928457 CFHFFYDUANKVEW-UHFFFAOYSA-N 302.296 2.238 0 40 DEAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2cccs2)cc1OC 72227047 QBWMUEPGIWXQDB-CABCVRRESA-N 318.398 2.176 0 40 DEAB Cc1ccc2nc(CNC(=O)[C@H]3CCc4cnc(C)n4C3)[nH]c2c1 565073162 DEMOPZUTTJAKCP-ZDUSSCGKSA-N 323.400 2.255 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)nn2)n1 75163904 QWFJKDWOOCLJPZ-UHFFFAOYSA-N 313.386 2.271 0 40 DEAB O=C(OCCc1cccs1)[C@H]1CCCN(C(=O)C2CC2)C1 78556564 ZSNNZDKGLJUROJ-ZDUSSCGKSA-N 307.415 2.482 0 40 DEAB CCC(=O)N[C@@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 33909680 VJEWQZCTQBQROB-MRTMQBJTSA-N 317.644 2.318 0 40 DEAB Cc1ccc(CNCCOc2ccc(S(C)(=O)=O)cc2)o1 78602388 KNYZKJJKWKHHCY-UHFFFAOYSA-N 309.387 2.160 0 40 DEAB Clc1cn[nH]c1-c1nn2c(-c3cccnc3)nnc2s1 72402858 HTKHJAPEKLJNGD-UHFFFAOYSA-N 303.738 2.291 0 40 DEAB Cc1nn(C)c2cn([C@H](C)C(=O)Nc3cnn(C(C)C)c3)nc12 40715049 KBYZMKUVOCADQP-LLVKDONJSA-N 315.381 2.055 0 40 DEAB CC(C)Cc1noc([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1 41122659 LKNLBLWAKFPDMR-QWHCGFSZSA-N 307.394 2.153 0 40 DEAB Cc1ccccc1[C@@H]1CCCN1C(=O)COCc1nncn1C 569596054 ZJVPBDXCCALGBQ-HNNXBMFYSA-N 314.389 2.004 0 40 DEAB Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2c[nH]nn2)c1 133597231 OQJOJIMVSXJLJB-ZFWWWQNUSA-N 300.362 2.233 0 40 DEAB Cc1nc(C)c(C(=O)NCc2ccnc(N3CCCC3)n2)s1 224199354 ZAIBQXYPWONRCD-UHFFFAOYSA-N 317.418 2.080 0 40 DEAB COc1cccc2cc(C(=O)NC[C@@H](O)c3ccoc3)oc12 75171726 HZQFIDFPPHQEKX-GFCCVEGCSA-N 301.298 2.498 0 40 DEAB O=C(COC(=O)c1cccnc1C(F)(F)F)NC1CCCC1 195577738 CTAMBVDNYRFLBK-UHFFFAOYSA-N 316.279 2.316 0 40 DEAB CN(c1ccc(CC(=O)NC2CCCCC2)cc1)S(C)(=O)=O 225976242 HFYVARMFAQQPBE-UHFFFAOYSA-N 324.446 2.074 0 40 DEAB O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CCN(CC1CC1)C2 96038798 PMTXBFCGBZYQTG-NVXWUHKLSA-N 320.458 2.255 0 40 DEAB O=C(C[C@@H]1C[C@H]2CN(CC3CC3)C[C@H]2O1)NCc1cccs1 96219235 DXCFGTVLHJSTGE-OFQRWUPVSA-N 320.458 2.254 0 40 DEAB c1cc(CNc2nccn3cnnc23)cc(OC2CCCC2)n1 96436722 ODIDZRILIQIOEA-UHFFFAOYSA-N 310.361 2.453 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc3nccnc3c1)CC(=O)O2 95472390 BCSMNBKQLFSQOP-LLVKDONJSA-N 307.309 2.068 0 40 DEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccoc3)CC[C@@H]12)N1CCCC1 96206228 PBJZQUMZRZGSRP-ZACQAIPSSA-N 318.417 2.129 0 40 DEAB CC1CCN(C(=O)[C@@H](C)Nc2cnn(CC(F)F)c2)CC1 97377333 IGDTZCMOPZSEAG-LLVKDONJSA-N 300.353 2.207 0 40 DEAB CC1CCN(C[C@H](O)COc2ccccc2-c2nnco2)CC1 95439088 BANYZBMTQIEDCQ-AWEZNQCLSA-N 317.389 2.208 0 40 DEAB O=C(NCC[S@](=O)c1ccccc1)NOCc1ccccc1 96408738 OJHWQDDVQRJDPJ-JOCHJYFZSA-N 318.398 2.225 0 40 DEAB CC[C@@](Br)([C@H](O)c1ccccc1)S(C)(=O)=O 96521454 JIOOKOYVHRJDGT-MNOVXSKESA-N 307.209 2.266 0 40 DEAB CCOC[C@@H]1CN(c2ccncn2)Cc2cnn(CC3CC3)c21 96044732 KMLPTINWHYAWNI-HNNXBMFYSA-N 313.405 2.223 0 40 DEAB Cn1ccc2cc(C(=O)NCCc3nnc4ccccn34)ccc21 95480923 QXYKRVWLFQABQM-UHFFFAOYSA-N 319.368 2.194 0 40 DEAB CCc1ccc([C@H]2COCCN2c2cc(Cl)nc(N)n2)o1 96453868 FWEIELHFFKUQFN-SNVBAGLBSA-N 308.769 2.446 0 40 DEAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(CC2CCNCC2)n1 257202089 AKJWTYXTTZVWJT-UHFFFAOYSA-N 316.380 2.354 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 257223311 DWUSCVPFZZTUFM-ZDUSSCGKSA-N 305.403 2.231 0 40 DEAB CCCn1ccnc1CN1CCO[C@H](c2cc(N)cc(C)n2)C1 257325859 WUTNAANZGPKVAJ-INIZCTEOSA-N 315.421 2.152 0 40 DEAB Cc1cn(C)c([C@H]2CCN(Cc3ccc4c(c3)OCCO4)C2)n1 257322426 WFXXKPGNVJNOLU-HNNXBMFYSA-N 313.401 2.489 0 40 DEAB COCCC(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCC[C@@H]21 257299116 ROUQQDUNTPSHAY-BQFCYCMXSA-N 302.418 2.160 0 40 DEAB CCn1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C(=O)O)cn1 66584825 AFVYMEFQPWDWIS-UHFFFAOYSA-N 323.374 2.019 0 40 DEAB C[C@H]1CN(CC2CCOCC2)C[C@H](C)N1CC1CCOCC1 187111991 DNJWMKHDFFASAJ-HOTGVXAUSA-N 310.482 2.234 0 40 DEAB O=C(O)C1(C[C@H]2CC(c3ccccc3F)=NO2)CCNCC1 19347995 RWUMVFAZMQCIIT-LLVKDONJSA-N 306.337 2.163 0 40 DEAB CCC(CC)C(=O)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19500152 AJVKTIDYXQTDQG-CQSZACIVSA-N 316.449 2.265 0 40 DEAB C[C@@H]1CNCC[C@]1(O)Cc1cc(F)cc(Br)c1 169205733 YEGMEWWFCQQOSG-RNCFNFMXSA-N 302.187 2.491 0 40 DEAB OCC[C@H]1CCCCN1Cc1nnc(Cc2ccccc2)o1 78776824 LVSSCUGXTKANAO-OAHLLOKOSA-N 301.390 2.397 0 40 DEAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)[C@H]1CC=CCC1 252490558 KWWAVSWDTIXRHA-AWEZNQCLSA-N 318.396 2.305 0 40 DEAB Cc1cccc(OCCN2C(=O)C(=O)N(C3CCCC3)C2=O)c1 5628513 YWPMXWOBJZZFHX-UHFFFAOYSA-N 316.357 2.107 0 40 DEAB CCC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888853064 BMTGKGVVYFZZAA-HOTGVXAUSA-N 322.412 2.448 0 40 DEAB CSc1nc(C2CC2)cc(N2CCN(C(=O)C3CC3)CC2)n1 1888853480 KOXMUQNFHYEOLQ-UHFFFAOYSA-N 318.446 2.135 0 40 DEAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1ccccc1F 35306758 XBRZAADDLPQETC-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cc1ccc([C@@H]2CN(c3ncnc4c3ncn4C)CCO2)cc1 1776001268 IUMQNTNXMULUGQ-AWEZNQCLSA-N 309.373 2.250 0 40 DEAB OC[C@]12CCCC[C@H]1CN(c1nccc(C(F)(F)F)n1)C2 2086850081 AQEKFFWMYJPZBB-GXFFZTMASA-N 301.312 2.484 0 40 DEAB C[C@](O)(CNC(=O)c1ccc2nsnc2c1)Cc1ccco1 206614427 GVSCQDHSRRQJNW-OAHLLOKOSA-N 317.370 2.008 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC(Nc2ccncn2)CC1 1156216582 IOFBLYXWPHSHSP-UHFFFAOYSA-N 300.337 2.332 0 40 DEAB COC(=O)c1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 15912304 ANOWDTSIESQBLY-UHFFFAOYSA-N 310.309 2.072 0 40 DEAB O=C(NCc1ccco1)c1csc(Nc2ncccn2)n1 49032181 OYZHMULREBABGY-UHFFFAOYSA-N 301.331 2.200 0 40 DEAB Cc1ccccc1NC(=O)[C@@H]1C[C@H](O)CN1C(=O)OCC(C)C 260624 FQFDMELHLFNWNC-ZFWWWQNUSA-N 320.389 2.161 0 40 DEAB CCOC(=O)CSc1nnc(COc2ccccc2C)n1C 420481 KZIVGCYCZOAYPY-UHFFFAOYSA-N 321.402 2.358 0 40 DEAB O=C(Nc1ccc(Cl)cn1)C1CCN(c2ncccn2)CC1 40544303 BAJDOQYEHMOOMV-UHFFFAOYSA-N 317.780 2.380 0 40 DEAB O=C(NC(=S)N1CCOCC1)C12CCC3C[C@H](C[C@@H](C3)C1)C2 1879443 UMSXWPSYLFTPBQ-YXXKGXSTSA-N 322.474 2.326 0 40 DEAB Cc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c(C)o1 3320034 DAUBUMZAHOANNR-UHFFFAOYSA-N 317.297 2.421 0 40 DEAB O=C(CSc1nncn1-n1cccc1)Nc1ccccc1F 4518370 YVLZOLGHBUNAHV-UHFFFAOYSA-N 317.349 2.261 0 40 DEAB Cn1nc(C(=O)N2CCCCC2)cc1NC(=O)c1ccccc1 40761776 CKQOPQCIVMTPQR-UHFFFAOYSA-N 312.373 2.299 0 40 DEAB CCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OC)c1 4710793 OKHPUQDNAKLACD-UHFFFAOYSA-N 306.362 2.048 0 40 DEAB CCCn1nnnc1SCC(=O)Nc1ccc(CC)cc1 4882683 JSQSTBQFZZNQAD-UHFFFAOYSA-N 305.407 2.376 0 40 DEAB CC(C)CNC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020413 DOHXWLPGUBLKKQ-QLFBSQMISA-N 320.433 2.125 0 40 DEAB CC(C)N(C(=O)CN(C)CC(=O)Nc1cccc(F)c1)C(C)C 8119751 KHBCHCCPIBJJRP-UHFFFAOYSA-N 323.412 2.341 0 40 DEAB O=C(Cc1ccsc1)N[C@@H]1CCS(=O)(=O)c2ccccc21 21497180 ZOZCGYAQOKKTBG-CYBMUJFWSA-N 321.423 2.326 0 40 DEAB CCc1nnc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)s1 538829 ITFPZSPGEIQAFG-HNNXBMFYSA-N 317.370 2.211 0 40 DEAB CCCNC(=O)C1(NCCOCC(F)(F)F)CCCCC1 75105613 RMVHYZWPKMPRIU-UHFFFAOYSA-N 310.360 2.384 0 40 DEAB O=C(CN1CCc2cncnc2C1)N1CCC[C@H]2CCCC[C@@H]21 69493377 QLWRHFIRFQQZQP-PBHICJAKSA-N 314.433 2.016 0 40 DEAB CCCCN1CCn2c(nc3cc(C(=O)NCC)ccc32)C1 23411470 DMXJQNMRCLTAFX-UHFFFAOYSA-N 300.406 2.402 0 40 DEAB C[C@H](NCc1ccccc1N1CCOCC1)[C@@H](C)n1cccn1 69437982 JSKQWZKLIRPAHL-JKSUJKDBSA-N 314.433 2.459 0 40 DEAB Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 56001249 DLVZVMSSRYZAOC-LSDHHAIUSA-N 307.415 2.093 0 40 DEAB CN1CC[C@@H](CN[C@H](C(N)=O)c2ccccc2)c2ccccc21 56216233 MMZKEXQIZUZBHD-YJBOKZPZSA-N 309.413 2.426 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3)on1 27019324 CXRPUUHXWMFJMR-SNVBAGLBSA-N 314.345 2.307 0 40 DEAB Cc1ccccc1CN1CCCN(C(=O)c2cnsn2)CC1 47831335 LQYWDPGNGRDQMR-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c(C)s1 58292896 DFOBONYHVAPTCS-JTQLQIEISA-N 306.387 2.393 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1cccc(Br)c1 58406338 FXSOSHSHKVADHD-IUCAKERBSA-N 313.195 2.151 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)COc1ccccc1 3388614 XZBUJCOPOLKCLQ-DZGCQCFKSA-N 305.374 2.304 0 40 DEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(F)cc2Cl)cn1 3361636 YWLZQZVRZZKVJV-UHFFFAOYSA-N 323.711 2.373 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@]1(O)CCCc2ccccc21 66931555 KSRPTBJAKHIKEW-SFHVURJKSA-N 314.385 2.174 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)O[C@@H](C)C(=O)N1CCC(C)CC1 12734255 DOWHMEBIHNBCKD-ZDUSSCGKSA-N 321.373 2.060 0 40 DEAB COc1cc(/C=C/C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(OC)c1 23199812 BTGHBNDZIUHWRA-FBVTZJDUSA-N 305.374 2.353 0 40 DEAB COc1cc(OC)cc(C(=O)NCc2ccc(C(=O)O)cc2)c1 13091868 RTASXOLAEOSTRY-UHFFFAOYSA-N 315.325 2.332 0 40 DEAB CC(C)(C)OC(=O)N1CCC(CSc2n[nH]c(N)n2)CC1 69570665 QXROPXNPCURUBS-UHFFFAOYSA-N 313.427 2.126 0 40 DEAB O=C(C[S@@](=O)Cc1cccc(Cl)c1)NCc1ccco1 69515127 WRWRMKYFLKTDDQ-HXUWFJFHSA-N 311.790 2.498 0 40 DEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2c1OCCC2 82353805 HBZUXJODKABLSS-UHFFFAOYSA-N 307.375 2.152 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4155832 NUTITIYKYJGJGB-PKIAMQTDSA-N 316.357 2.330 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2O)[C@@H]1C 5078538 MWWPCHDXURECTG-BZPMIXESSA-N 305.374 2.490 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)c1 69709338 UTMICRILAUNJID-OAHLLOKOSA-N 313.405 2.130 0 40 DEAB CC(C)(C(=O)OCn1nnc2ccccc2c1=O)c1ccccc1 6289947 QCUAOVURJGOZCA-UHFFFAOYSA-N 323.352 2.270 0 40 DEAB CC[C@@H](CNC(=O)CN1CCn2ccnc2C1)c1ccccc1 65496483 DYBDJNGGPPKRJM-HNNXBMFYSA-N 312.417 2.009 0 40 DEAB Cc1csc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)n1 65440115 GQFMEDSOOYQUHM-GFCCVEGCSA-N 318.402 2.498 0 40 DEAB Cc1ccc(-c2cc(CN[C@H]3CCc4ncnn4C3)on2)cc1 69873037 AHOHCXSBCHAPBY-AWEZNQCLSA-N 309.373 2.346 0 40 DEAB O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1cccc(O)c1 6508788 GZKQCZKTBHTSMJ-UHFFFAOYSA-N 309.325 2.200 0 40 DEAB CN(Cc1nnsc1Cl)[C@@H]1CCCN(c2cccnn2)C1 69920553 QXSRLKDWKGWLNC-SNVBAGLBSA-N 324.841 2.082 0 40 DEAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1cccnc1 15826863 MEMKLYJZEVGAEE-UHFFFAOYSA-N 311.341 2.226 0 40 DEAB Cc1cc(C(=O)OCC(=O)c2ccc3c(c2)OCCCO3)on1 7547438 WXLVCEUQUYWMKJ-UHFFFAOYSA-N 317.297 2.184 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCC[C@H]1CCCCO1 96002176 VVDYYXVRUOYLHD-SWLSCSKDSA-N 322.453 2.226 0 40 DEAB Cc1ccc(NC(=O)COc2ccccc2C(N)=O)c(F)c1 9386603 VSWDQJYLESJRDL-UHFFFAOYSA-N 302.305 2.251 0 40 DEAB COc1ccccc1CC(=O)N[C@H](c1nc(C)n[nH]1)C(C)C 96418551 NBKKFOCSQNBTIF-HNNXBMFYSA-N 302.378 2.178 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 71855917 QNDJAYYOHKXWDN-LRDDRELGSA-N 310.353 2.173 0 40 DEAB O=C(Cc1ccc(F)cc1)NCc1nc(-c2ccco2)n[nH]1 71858689 ATKJHICWMZMSGQ-UHFFFAOYSA-N 300.293 2.063 0 40 DEAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN2CCCC[C@H]2C1 71839669 KMMBCVGKIZQELU-SFHVURJKSA-N 324.428 2.112 0 40 DEAB CCOc1ccc(CNC(=O)N2CCC(CO)CC2)cc1F 72268270 RDIZFVPAJPWIRI-UHFFFAOYSA-N 310.369 2.138 0 40 DEAB Cc1c(CNC(=O)Nc2cc(C3CCCC3)nn2C)cnn1C 97081595 GJISLCUBABFJCL-UHFFFAOYSA-N 316.409 2.441 0 40 DEAB CCc1nnc2n1C[C@H](NCc1c[nH]nc1-c1ccccc1)CC2 97199500 LBGMHDSIGFBRLJ-OAHLLOKOSA-N 322.416 2.335 0 40 DEAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN1CCO 72309098 JMZALSLGALBMOI-LBPRGKRZSA-N 303.189 2.389 0 40 DEAB Cn1cc(CCC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)cn1 84318315 FIOIZZAVUZMBKW-APWZRJJASA-N 309.413 2.373 0 40 DEAB COCCOc1cccc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)c1 89937579 OPCJWAXKBYOCDQ-RDTXWAMCSA-N 320.433 2.058 0 40 DEAB O=C(NCCc1nnc2ccccn12)[C@H]1C[C@@H]1c1ccccc1 84525421 RFKDOXFHJNBQJG-CABCVRRESA-N 306.369 2.192 0 40 DEAB Cn1nc(C2CCC2)cc1NC(=O)N1CC[C@@H](N2CCCC2)C1 95418843 YPXRDIRHZUFSAA-CQSZACIVSA-N 317.437 2.390 0 40 DEAB CC1(C)C[C@@H](NCCCNC(=O)c2cccc(O)c2)C(C)(C)O1 95421575 KMJNQBFNYLYTHM-OAHLLOKOSA-N 320.433 2.448 0 40 DEAB CC[C@H](CCNC(=O)c1cc(F)ccc1O)N1CCCC1=O 95409024 NMONMXXQKADEFX-GFCCVEGCSA-N 308.353 2.052 0 40 DEAB COC(=O)[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](N2CCCCC2)C1 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O=C(CCNC[C@H]1COc2ccccc2O1)Nc1ccccc1 558657290 SXOASVURWLHULN-HNNXBMFYSA-N 312.369 2.445 0 40 DEAB CC(C)(NC(=O)CSCC(N)=O)c1ccc(F)cc1Cl 73157401 HXLQKACGXQQDBW-UHFFFAOYSA-N 318.801 2.049 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCNC[C@H]2c2ccccc2)cc1 35418733 MSXGZTKZSFRUAM-KRWDZBQOSA-N 316.426 2.330 0 40 DEAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccccn1 42646144 SNXWQSZQQCUDOK-UHFFFAOYSA-N 317.776 2.341 0 40 DEAB CN1CCC[C@@](O)(CN2CCc3[nH]c4ccc(F)cc4c3C2)C1 46087382 LJEFARVQKXZXRN-SFHVURJKSA-N 317.408 2.122 0 40 DEAB Cc1ccc(S(=O)(=O)NCCCN2CCC[C@H](C)C2)cc1 45744791 VABUYVJEGUMGJL-HNNXBMFYSA-N 310.463 2.395 0 40 DEAB CCN(CC)C(=O)Cc1ccc(-c2nn3cnnc3s2)cc1 41126906 NFIITSQGHGUSHP-UHFFFAOYSA-N 315.402 2.264 0 40 DEAB Cc1cccc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)c1Cl 195555358 VLMKSEUMIAOHTI-QWRGUYRKSA-N 302.827 2.149 0 40 DEAB Cc1ccnc(NCC2CCN(S(=O)(=O)C(F)F)CC2)c1 225472589 SQDPBYVYKKDUGR-UHFFFAOYSA-N 319.377 2.066 0 40 DEAB COc1cc2c(cc1CN1CC[S@](=O)C[C@@H](C)C1)O[C@@H](C)C2 571740392 NVXPHIRMGMIZTK-MZFXBISCSA-N 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CC(C)CCN1C[C@@H]2Oc3cc(F)ccc3C(=O)N(C)[C@@H]2C1 514288658 OQZZNLPTMCLZSE-ZBFHGGJFSA-N 306.381 2.389 0 40 DEAB biogenic,in-vitro O=C(c1cc2cc(F)ccc2o1)N1CC[C@H](N2CCCC2=O)C1 579185861 WOAJCMUNAKMANF-ZDUSSCGKSA-N 316.332 2.409 0 40 DEAB C[C@H](NS(=O)(=O)c1cnn(C)c1)c1c(F)cccc1Cl 96449254 JAQZKNKUEJCRAW-QMMMGPOBSA-N 317.773 2.252 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2ccsc2)[C@H]1c1cccnc1 96421731 MJFPFLIEEDCGIX-TZMCWYRMSA-N 301.371 2.301 0 40 DEAB CC(C)Cn1cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cn1 96435524 YKJISONVWXNHBZ-OAHLLOKOSA-N 305.426 2.241 0 40 DEAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3ccccn3)CCO2)n1 257215088 COQSOLVESVTDOF-SFHVURJKSA-N 312.417 2.425 0 40 DEAB Cn1ccnc1-c1cncc([C@@H]2CCCN(c3cnccn3)C2)n1 257256997 KNQXYLPMMOLKLS-CYBMUJFWSA-N 321.388 2.051 0 40 DEAB O=C(NCC1CCN(c2ncc(F)cn2)CC1)c1cccs1 252478983 AYRUPFZWHLZAGX-UHFFFAOYSA-N 320.393 2.324 0 40 DEAB Cc1ccc(CCC(=O)N2CC(Nc3ncccn3)C2)cc1F 253472309 LHYFQMGGVQEKLQ-UHFFFAOYSA-N 314.364 2.180 0 40 DEAB COc1ccc(C(=O)NC(C)(C)COCc2ccccc2)nn1 252496818 PSHZLTRVOTZWDJ-UHFFFAOYSA-N 315.373 2.210 0 40 DEAB COc1ccc(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)c(OC)c1 257266645 MDWPCCOAIAXKLJ-ROUUACIJSA-N 321.417 2.474 0 40 DEAB CCCCCCNC(=O)C(=O)NCCc1ccc(OC)cc1 298125742 CLGZTUPGZXQVKK-UHFFFAOYSA-N 306.406 2.050 0 40 DEAB C[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc(F)c2)C1 45744785 CUMJHPODYCAEGH-CYBMUJFWSA-N 314.426 2.226 0 40 DEAB CCCc1c(/C(O)=N/S(C)(=O)=O)cnn1Cc1ccccc1 48487119 XRNCKXYKFZVSPE-UHFFFAOYSA-N 321.402 2.148 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)Cc2ccccc2)n1 56071797 JUGJWWVKEUFXPS-CYBMUJFWSA-N 321.446 2.256 0 40 DEAB O=C(NCCc1nncn1C1CC1)c1cc2c(F)cccc2[nH]1 71893203 DDWSEWKZTACEJM-UHFFFAOYSA-N 313.336 2.206 0 40 DEAB Cc1nc(C)c(C(=O)NCc2ccc(-n3ccnc3C)nc2)o1 76061102 MAYGAIQLHPMPFS-UHFFFAOYSA-N 311.345 2.111 0 40 DEAB Cn1cc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)cn1 655265649 DRCPWNVWCTXIMQ-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB O=C(c1cncnc1)N1CCC(c2ccc3cccnc3n2)CC1 655270013 UJQSMJHZYUMVCB-UHFFFAOYSA-N 319.368 2.440 0 40 DEAB Cc1cc(Br)cn(CCOC[C@H]2CCCO2)c1=O 97238198 LMXUJNUJSLZPQF-GFCCVEGCSA-N 316.195 2.115 0 40 DEAB Cc1cccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)c1 5170744 JGMIYWYLCSKUOR-UHFFFAOYSA-N 308.341 2.240 0 40 DEAB Cc1ncc(C(=O)N[C@@H](c2ccccc2)c2ccnn2C)c(C)n1 12194141 VHYNAQIVTAMJEQ-KRWDZBQOSA-N 321.384 2.346 0 40 DEAB Cc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1 16713488 KPTCEIBWVHKTQB-UHFFFAOYSA-N 319.382 2.187 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N[C@H](C)Cc2ccccn2)c1 19134469 QEWFZKFCGZNAOO-GFCCVEGCSA-N 308.378 2.439 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccccc1C(F)(F)F 19575953 NEGDXXNUJDBBQV-FPMFFAJLSA-N 314.351 2.345 0 40 DEAB CCOC(=O)C1(C(=O)OCC)CCN(c2ccccc2)CC1 1705178 RWFALVQKXOOBSV-UHFFFAOYSA-N 305.374 2.399 0 40 DEAB COc1ccc(CN2CC[C@H](Oc3ncc(OC)cn3)C2)cc1 1203959692 ZABHIEKSXAHWIA-HNNXBMFYSA-N 315.373 2.147 0 40 DEAB COc1cc(F)c(S(=O)(=O)NC2CCCC2)cc1OC 27937222 FAUPAKNOTNHVMH-UHFFFAOYSA-N 303.355 2.064 0 40 DEAB CNC(=O)COc1cccc(NC(=O)CCc2ccsc2)c1 31521741 JRLUZYWGHPCKKL-UHFFFAOYSA-N 318.398 2.444 0 40 DEAB CC(C)N1C[C@]2(CCN(Cc3ccc(F)cc3)C2)COCC1=O 2037981074 SZGXDKWHMNNMJS-GOSISDBHSA-N 320.408 2.285 0 40 DEAB O=C(CCc1ccccc1)NCc1nnnn1C1CCCCC1 10594266 UHZBQMZMNVTDBL-UHFFFAOYSA-N 313.405 2.427 0 40 DEAB Cc1cnccc1OCC1CCN(CCC2OCCO2)CC1 2086875445 HXPJVOFYIOBTLN-UHFFFAOYSA-N 306.406 2.244 0 40 DEAB O=C(Cn1cncn1)Nc1ccccc1-c1cn2ccsc2n1 206894148 NDYOEFYYOQRZMW-UHFFFAOYSA-N 324.369 2.293 0 40 DEAB COc1ncccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 40058682 QXFBJSVHUNJBOZ-NSHDSACASA-N 314.341 2.352 0 40 DEAB CCc1nn2c(=O)cc(CN3CCC[C@@H](CC)C3)nc2s1 30143895 FVOHRMCVNWIJPZ-LLVKDONJSA-N 306.435 2.335 0 40 DEAB CNC(=O)COc1cccc(N[C@@H](C)c2nc(C(C)C)no2)c1 30493094 OSUSWZUYKMGSBG-NSHDSACASA-N 318.377 2.491 0 40 DEAB O=C(NCC(F)(F)F)C1CCN(c2ccc(Cl)nn2)CC1 30810252 AQSMXQHSXHEWFQ-UHFFFAOYSA-N 322.718 2.025 0 40 DEAB CN(CCOc1ccccc1Cl)CC(=O)NCC(F)(F)F 40468515 LDPVBSHVKBNMHR-UHFFFAOYSA-N 324.730 2.329 0 40 DEAB Cc1nnsc1C(=O)OCc1nnc(-c2cccs2)o1 40463381 TXSINGGXTMFDSX-UHFFFAOYSA-N 308.344 2.315 0 40 DEAB COc1ccc2c(c1)C(=O)[C@@H]([C@]1(O)C(=O)Nc3ccccc31)CC2 70333 SISBGYPFGBWATJ-KXBFYZLASA-N 323.348 2.280 0 40 DEAB CC(=O)c1ccc(N2CCN(C(=O)NCC(C)C)CC2)cc1 17116660 NHAUARHUDINFKW-UHFFFAOYSA-N 303.406 2.377 0 40 DEAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NCC(C)C)c1 1379773 MKKBUSOCFJXCRA-HNNXBMFYSA-N 319.405 2.464 0 40 DEAB Cc1cccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)c1 40520389 ZXNLXOSZNZHBHM-UHFFFAOYSA-N 315.373 2.384 0 40 DEAB O=C(O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 4671155 SGSFDZFGKIKSNA-CQSZACIVSA-N 305.355 2.181 0 40 DEAB CCc1cccc(CC)c1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4892453 NTFUABHGAJEVJE-QPSCCSFWSA-N 315.369 2.404 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 6742198 MRNPQSVWVSKEAR-PKIAMQTDSA-N 316.357 2.330 0 40 DEAB COc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1OC 6743114 XHLFNVPBYCNQPZ-AGIUHOORSA-N 323.414 2.194 0 40 DEAB CCCCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)NC1=S 105001264 DEXOMFWQPZDKEI-FLIBITNWSA-N 306.387 2.259 0 40 DEAB Cc1noc(C)c1C[S@@](=O)CC(=O)NC1CCC(C)CC1 69520087 VOAIBDNJDQDDJU-GMJXJOIKSA-N 312.435 2.235 0 40 DEAB CNC(=O)C1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 69599887 RHCMOOIUSORDDK-LBPRGKRZSA-N 314.389 2.256 0 40 DEAB Cc1ccc(-c2nnc(CN(CC(N)=O)C3CCCC3)o2)cc1 52826649 KXWXEOLJUCQCBI-UHFFFAOYSA-N 314.389 2.275 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)o1 89652375 LHUKCHMXDORZDB-DYZYQPBXSA-N 319.405 2.130 0 40 DEAB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(=O)[nH]c1 71911491 BMWBKTPNEAVDQQ-UHFFFAOYSA-N 310.275 2.253 0 40 DEAB NC(=O)[C@@H](NC(=O)COc1ccccc1Cl)c1ccccc1 12050920 KLYFXIFXGDRMIB-HNNXBMFYSA-N 318.760 2.062 0 40 DEAB O=C(NCc1ccccc1)C(=O)NCc1ccccc1Cl 9855309 RJDHEDBPZKGOEB-UHFFFAOYSA-N 302.761 2.273 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)OC 534710 MVOHAMLHTLVPNH-YGRLFVJLSA-N 324.377 2.413 0 40 DEAB C[C@@H](C(=O)N(Cc1cscn1)c1ccccc1)S(C)(=O)=O 71903605 IWRWNRAASZAVJL-NSHDSACASA-N 324.427 2.109 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 37410276 VFEITMRSMVIBAN-LLVKDONJSA-N 301.264 2.324 0 40 DEAB O=C(Nc1cccc(F)c1)N1CCC(CN2CCOCC2)CC1 47324123 WGBDFPPPZBTFQC-UHFFFAOYSA-N 321.396 2.402 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3c[nH]ccc3=O)cc2)n1 61621289 DNKDNEFKWGWHPT-UHFFFAOYSA-N 322.368 2.489 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1ccc(Br)cc1F 37500226 SRJSPBLILWLGMY-UHFFFAOYSA-N 318.142 2.270 0 40 DEAB CCOC(=O)CN(C(=O)c1cc2c(C)nn(C)c2s1)C1CC1 57373325 UBPZDKLIZIEOIU-UHFFFAOYSA-N 321.402 2.111 0 40 DEAB Cc1ccccc1C1(C(=O)N2CCO[C@H](C)C2)CCOCC1 57385210 OLUHTEJOXZHZKZ-OAHLLOKOSA-N 303.402 2.291 0 40 DEAB Cc1cc(C)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)n1 1994218 KMAMCFNQSXHQCU-UHFFFAOYSA-N 305.765 2.461 0 40 DEAB O=C(COC(=O)c1ccc(O)cc1)NCc1ccc(F)cc1 3274352 MASQEFCLDPJZAI-UHFFFAOYSA-N 303.289 2.005 0 40 DEAB COc1ccc(CN(C)C(=O)/C=C/c2cnn(C)c2)c(OC)c1 44868376 ZZKDEUAQKIRTDK-VMPITWQZSA-N 315.373 2.109 0 40 DEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 44830402 VKTPYLNMWGTWPK-VXGBXAGGSA-N 320.320 2.390 0 40 DEAB Cc1noc(-c2cccnc2NCCCNC(=O)C2CCC2)n1 89721291 QTNJGJHYKCNBTR-UHFFFAOYSA-N 315.377 2.158 0 40 DEAB C[C@@H](NCc1cccs1)C(=O)NCc1ccc2c(c1)OCO2 3285320 PCLCLVIGKQGMTD-LLVKDONJSA-N 318.398 2.271 0 40 DEAB CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CCCC)C(=O)[C@H]13)O2 2145909 NHVQBSVEVDLWGA-ZXFNITATSA-N 321.417 2.302 0 40 DEAB biogenic CC[C@H](C)NC(=O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1 408998129 KHPUWLVESMQSJZ-JSGCOSHPSA-N 318.373 2.229 0 40 DEAB CC(C)(C)c1noc(CCC(=O)N[C@H]2CCN3CCCC[C@H]23)n1 44942105 RNWVXPFHRZWRRU-QWHCGFSZSA-N 320.437 2.043 0 40 DEAB Cc1ccsc1CNC(=O)C1CCN(C(=O)N(C)C)CC1 48032801 OADJRXRREZBSGK-UHFFFAOYSA-N 309.435 2.066 0 40 DEAB CC(=O)NCCNc1nc(-c2cccnc2)nc2ccccc12 3358115 SNRAQAUEWWLKMA-UHFFFAOYSA-N 307.357 2.240 0 40 DEAB C[C@@H](OCCCNC(=O)c1ccc[nH]c1=O)c1ccccc1 12741962 ZQJCRECIXJDQGV-CYBMUJFWSA-N 300.358 2.273 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)Nc1ncccc1C 12775009 XTGMLAKMVGXKSJ-UHFFFAOYSA-N 313.357 2.157 0 40 DEAB O=C(Nc1ncccc1O)c1[nH]nc(C2CC2)c1Br 49168342 ZOYJMMCXEWKPBD-UHFFFAOYSA-N 323.150 2.403 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H]1Cn1cccn1 70039870 IZGRRUJZKDZECR-RISCZKNCSA-N 302.378 2.283 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cnn(C)c2C2CC2)c1 70013772 GRQNABVRLFEEFT-CQSZACIVSA-N 313.405 2.107 0 40 DEAB O[C@@H](COCc1ccco1)CN1CCOc2ccccc2C1 69323153 SMKVLASOWMGRJJ-OAHLLOKOSA-N 303.358 2.052 0 40 DEAB CCCCOCCCNC(=O)N[C@H](C(=O)OC)[C@H](C)CC 5163102 XAHJMFMRXKERND-OLZOCXBDSA-N 302.415 2.080 0 40 DEAB CC[C@H](C)NC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 65539402 KPULJTUULDBGBJ-QMMMGPOBSA-N 304.799 2.240 0 40 DEAB CCc1ncc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)s1 65530156 ZPUHQMYDINQHKP-SNVBAGLBSA-N 306.391 2.417 0 40 DEAB CC1CCN(c2ccc(CNC(=O)CN(C)C(C)C)cn2)CC1 65521800 WJUJGYRJFNKEIR-UHFFFAOYSA-N 318.465 2.274 0 40 DEAB CN(C)C(=O)CN1CCC(OC(=O)c2ccc(Cl)cc2)CC1 69701885 GKSGSDFOLQRNOL-UHFFFAOYSA-N 324.808 2.049 0 40 DEAB COc1cc(C(=O)N(CCN(C)C)C[C@@H]2CCCO2)ccc1C 65626566 FVRKHZWDRZRDTL-INIZCTEOSA-N 320.433 2.186 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 5450763 BSWLUSVVOOVZIR-MFKMUULPSA-N 316.361 2.065 0 40 DEAB C[C@H](c1ccccc1Br)N1CCN(CCO)CC1 69928249 WOPJWLSVITUYKX-GFCCVEGCSA-N 313.239 2.120 0 40 DEAB COc1ccccc1CCNC(=O)c1cccc(NC(C)=O)n1 8747698 FSHOGZMUZQSKSK-UHFFFAOYSA-N 313.357 2.021 0 40 DEAB Cc1ccc2c(CC(=O)N(CC(N)=O)C(C)C)coc2c1C 70688932 ZVEGKRKYZDCJMB-UHFFFAOYSA-N 302.374 2.314 0 40 DEAB O=c1[nH]nc(SCc2ccc(-n3cccn3)cc2)n1C1CC1 8878749 SPLZXVFMCHTBTC-UHFFFAOYSA-N 313.386 2.384 0 40 DEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N[C@@H](C)C(C)C)c1 9253992 LUXQHRJPJLMYHE-JTQLQIEISA-N 305.378 2.378 0 40 DEAB CC(C)n1nnc(-c2ccc(C(=O)Nc3nncs3)cc2)n1 96232208 MUENAJPPJDUDRX-UHFFFAOYSA-N 315.362 2.025 0 40 DEAB CC(C)(C)c1nc(CN2CC[C@]3(CCCO3)CCC2=O)no1 72151942 BWGTUTOBJVTTJG-INIZCTEOSA-N 307.394 2.429 0 40 DEAB COCCOCC(=O)Nc1ccc(Br)c(F)c1 96425640 FUCMXTSSIMQEFX-UHFFFAOYSA-N 306.131 2.190 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCCc3ccccc32)C1 96426638 REERMJIMOFBTLL-UKRRQHHQSA-N 302.374 2.063 0 40 DEAB Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)on1 71835178 YUYDJEYEBBEGSQ-LSDHHAIUSA-N 315.373 2.024 0 40 DEAB CCc1nc(CN2CCCN(C(=O)CSC)CC2)cs1 71863997 HIEPGCHTOVGVPX-UHFFFAOYSA-N 313.492 2.103 0 40 DEAB Cc1cc(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)on1 71894442 KIWSPMQNZJDCPG-JTQLQIEISA-N 311.382 2.216 0 40 DEAB O=C(NCCc1cscn1)c1ccn(-c2ccccc2F)n1 71896341 DPKLYXSKECKOEG-UHFFFAOYSA-N 316.361 2.440 0 40 DEAB COCCN1CCC(NC(=O)C2(c3ccc(F)cc3)CC2)CC1 71830712 KLCBEVDDSZQRKW-UHFFFAOYSA-N 320.408 2.084 0 40 DEAB COc1ccc2[nH]cc(C3CCN([C@H](C)C(N)=O)CC3)c2c1 71824861 XSEVBGSXZKPVBY-LLVKDONJSA-N 301.390 2.230 0 40 DEAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)on1 71835179 YUYDJEYEBBEGSQ-GJZGRUSLSA-N 315.373 2.024 0 40 DEAB COc1ccsc1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 72268096 BCERUICHYJDFLK-LBPRGKRZSA-N 320.418 2.442 0 40 DEAB O=C(O)C[C@H](NC(=O)c1ccon1)c1ccc(Cl)c(F)c1 97036504 JOWLLNJLPPGGKB-NSHDSACASA-N 312.684 2.413 0 40 DEAB Cn1nnnc1Sc1ccnc2cc(Br)cnc12 97085156 LPOCEDVTARGBOW-UHFFFAOYSA-N 323.179 2.067 0 40 DEAB CNC[C@H]1CCCN1Cc1ccc(OC)c(OC(F)F)c1 97020362 DDORDYSIKKDZPB-GFCCVEGCSA-N 300.349 2.480 0 40 DEAB CNC(=O)CSCc1ccc(I)cc1 76068391 WSVZVNQWOORULA-UHFFFAOYSA-N 321.183 2.270 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)N1CC[C@H]([C@@H](C)O)C1 97107890 QHUPKZPTPFDKCB-ZNMIVQPWSA-N 306.406 2.175 0 40 DEAB Cc1cc(F)ccc1NC(=O)C(=O)NCCc1cccc(O)c1 76018328 QGNHPBGGPGEMPR-UHFFFAOYSA-N 316.332 2.137 0 40 DEAB CCCc1nnc(SCC(=O)Nc2nnc(CC)s2)o1 20033909 FGXYCAKZLRIQAT-UHFFFAOYSA-N 313.408 2.167 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1C(=O)C[C@@H](C)c1ccc(F)cc1F 95450104 SZQDTBOUOKUBED-NTZNESFSSA-N 313.344 2.067 0 40 DEAB COc1cccc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c1 95452007 MOKGFKSFOUASCR-HNNXBMFYSA-N 315.373 2.249 0 40 DEAB CCOCCOc1c(Cl)cccc1NC(=O)N(C)CCO 78801333 DVQXCGUDBOHHRR-UHFFFAOYSA-N 316.785 2.211 0 40 DEAB Cc1c(Br)cccc1C(=O)N(CC(=O)O)C1CC1 88440251 KIUUDVMTQJPGMV-UHFFFAOYSA-N 312.163 2.447 0 40 DEAB NC(=O)c1ccc(NC(=O)NC[C@H]2C[C@H]2c2ccccc2)cn1 95980621 AZTCVCOVARPDHR-OCCSQVGLSA-N 310.357 2.106 0 40 DEAB COCCCOC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 95943779 WQKDQPGRVBUDEZ-KKUMJFAQSA-N 319.405 2.194 0 40 DEAB CCn1cnnc1CNC(=O)Nc1ccc(SC)c(F)c1 78938029 RYQXBVPPTFXBIT-UHFFFAOYSA-N 309.370 2.481 0 40 DEAB O=C(NCC[S@](=O)Cc1ccccc1)c1cccc(Cl)n1 78913115 YTLJWMJFQMBGRT-OAQYLSRUSA-N 322.817 2.414 0 40 DEAB COc1c(NC(=O)[C@@H]2CCN(C3CCCCC3)C2)c(C)nn1C 75094558 JUUOAJIJHRKTIY-CYBMUJFWSA-N 320.437 2.330 0 40 DEAB Cc1noc(C)c1CCN1C(=O)N[C@](C)(c2ccccc2)C1=O 89529222 QKEAPMRLQRAIEW-QGZVFWFLSA-N 313.357 2.301 0 40 DEAB c1cc(O[C@H]2CCN(Cc3nc(-c4ccoc4)no3)C2)ccn1 79105507 CPLCOXJFBSTWRL-AWEZNQCLSA-N 312.329 2.378 0 40 DEAB Cc1cc(-c2csc(NC(=O)[C@H]3COCCO3)n2)c(C)o1 79852582 ZQQIHABYLYGITH-GFCCVEGCSA-N 308.359 2.374 0 40 DEAB Cc1ccccc1[C@@H](O)CNC(=O)c1noc2c1CCCC2 79028393 QNFAZIMSNXTQDW-AWEZNQCLSA-N 300.358 2.325 0 40 DEAB CCN([C@H](C)CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCC2 61181335 OCYHWGLGPNDFOH-LLVKDONJSA-N 311.403 2.049 0 40 DEAB C[C@@H](C(=O)N1CCCC1)S(=O)(=O)c1cccc(Cl)c1 78978834 HPLLUIDLPHLSKW-JTQLQIEISA-N 301.795 2.125 0 40 DEAB O=C1NC(=O)[C@@H](Cc2ccc(O)c(Br)c2)S1 218824164 VNTSHQHJVZCMIK-MRVPVSSYSA-N 302.149 2.049 0 40 DEAB Cc1noc(C)c1Cc1nn2c(-c3cccnc3)nnc2s1 71286507 MAHBIOXQKZPYPP-UHFFFAOYSA-N 312.358 2.443 0 40 DEAB Cc1nnsc1-c1nnc2sc(-c3cccnc3)nn12 79492063 RUCXVGFGUZKFRQ-UHFFFAOYSA-N 301.360 2.075 0 40 DEAB CCN(C[C@H]1CCN(C(=O)c2ccccn2)C1)CC(F)(F)F 81447581 JTAVARLGWBXFFJ-GFCCVEGCSA-N 315.339 2.428 0 40 DEAB CCCOCc1cc(C(=O)N2CCOCC2)ccc1OCC 224709020 WDYKNJIIVCJICU-UHFFFAOYSA-N 307.390 2.484 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1)C(=O)NC1CCCCC1 46467007 ALSHZZOVRYLDFA-CYBMUJFWSA-N 304.390 2.019 0 40 DEAB CC(C)(CCC(=O)O)NC(=O)c1ccn(-c2ccc(F)cc2)n1 195541756 NTPFKUFBGXSKCT-UHFFFAOYSA-N 319.336 2.385 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958320 HCSQHDHIBRCQIA-NSHDSACASA-N 306.337 2.254 0 40 DEAB O=C(Nc1nc2c(s1)COCC2)c1ccc2nsnc2c1 75166210 POKQGTKSGACKFR-UHFFFAOYSA-N 318.383 2.473 0 40 DEAB CC(C)c1nnc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)o1 131798580 ZXABNGSYEOAWCR-UHFFFAOYSA-N 319.390 2.123 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](Oc2cnccn2)C1 225468391 XYQWSCVURSRTFB-ZDUSSCGKSA-N 323.356 2.037 0 40 DEAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 223602110 GHTUIPODPXYUHK-ZIAGYGMSSA-N 303.387 2.030 0 40 DEAB Cc1ccc(NC(=O)NCc2ccnc(N(C)C)n2)cc1F 224238459 HUDXZVGLJSGAOG-UHFFFAOYSA-N 303.341 2.312 0 40 DEAB CCc1ncncc1C(=O)O[C@@H]1CCN(Cc2ccccc2)C1 96409080 XULJGCXJJYLXNT-OAHLLOKOSA-N 311.385 2.470 0 40 DEAB O=S(=O)(NCc1cc(C2CC2)n(C2CCCC2)n1)C1CC1 96104098 YUCVEPZUKAFWLV-UHFFFAOYSA-N 309.435 2.457 0 40 DEAB Cn1ccc(CNC(=O)N2CCO[C@@H](Cc3ccccc3)C2)c1 96494018 YFHULKQRTIZGIN-KRWDZBQOSA-N 313.401 2.178 0 40 DEAB Cn1cncc1CCNc1cc(-c2ccccc2)nc2ncnn12 97373080 XGIILZQMUPVVRV-UHFFFAOYSA-N 319.372 2.179 0 40 DEAB Cc1cccc([C@@H](O)[C@@](C)(Br)S(C)(=O)=O)c1 96521296 DPAZTQXOWNZCHM-MNOVXSKESA-N 307.209 2.184 0 40 DEAB O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccccc1)C2 96224578 NFBQCYZMZPHJST-IBGZPJMESA-N 322.412 2.496 0 40 DEAB C[C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)C[C@@H](C)O1 48418300 WNVCCLMKXQYJDJ-VXGBXAGGSA-N 317.838 2.223 0 40 DEAB CCCOc1ccc(CCC(=O)N[C@H]2CCC(=O)N(C)C2)cc1 96431189 KIQAJVHOGBAKCL-HNNXBMFYSA-N 318.417 2.145 0 40 DEAB C[C@H](C(=O)NCC(F)(F)F)N(C)Cc1ccc(Cl)nc1 96453061 UTPIMJUYMWJUGR-MRVPVSSYSA-N 309.719 2.234 0 40 DEAB O=S(=O)(Nc1ccon1)c1cc(Cl)cc2c1OCC2 96501917 BGKBMGIQEFKRPY-UHFFFAOYSA-N 300.723 2.064 0 40 DEAB CCS[C@@H]1CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 96451462 GFBYKLCBDHSNJZ-NWDGAFQWSA-N 300.468 2.329 0 40 DEAB O=C(c1ccoc1)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238891484 QQQBVTAROUEHMC-SSDOTTSWSA-N 301.224 2.311 0 40 DEAB COc1cc(N2CCN(Cc3cc(F)ccc3F)CC2)ncn1 184080757 QSUBXSSEUGBKQP-UHFFFAOYSA-N 320.343 2.086 0 40 DEAB Cc1cc(CNc2cc(CC[C@@H]3CCCCN3)ncn2)on1 257324321 WODCSBZEPDKTDF-ZDUSSCGKSA-N 301.394 2.460 0 40 DEAB CCC(=O)N1CCC[C@@H](c2nccnc2-c2cnc(C)n2C)C1 257241563 HYOCCXHPJNDDRX-CYBMUJFWSA-N 313.405 2.302 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CC[C@H](c2ccn[nH]2)C1 257205874 BAXUHFHXYZNUIF-ZDUSSCGKSA-N 309.373 2.084 0 40 DEAB O=C(Cc1ccccc1)N1CCOC[C@@H](Cc2ccccn2)C1 257305316 SPKBKTVPKGHEIN-KRWDZBQOSA-N 310.397 2.342 0 40 DEAB COc1ccc(CN2CCO[C@@H](c3cnccn3)C2)c(F)c1 257260220 LBVVEXFRMSCSNH-MRXNPFEDSA-N 303.337 2.198 0 40 DEAB O=S(=O)(NCC[C@@H](O)c1ccoc1)c1ccccc1Cl 90613095 OWHITYFAWNQLQN-GFCCVEGCSA-N 315.778 2.335 0 40 DEAB O=C(Cc1cccnc1)N1CC[C@H](Oc2ccncc2Cl)C1 575609912 BEWUZJMGKOKNTR-ZDUSSCGKSA-N 317.776 2.352 0 40 DEAB Cc1ccc(OC[C@]2(O)CCN(C(=O)c3ccncc3)C2)cc1 585268923 DPZVHBYXQPGSDQ-SFHVURJKSA-N 312.369 2.046 0 40 DEAB Cc1cccc(O[C@@H]2CCC[C@H](NCCN3CCCC3)[C@H]2O)c1 585288886 KWZSXAZWRUGTMJ-IPMKNSEASA-N 318.461 2.341 0 40 DEAB Cc1nc2cc(NC(=O)CN3CCCCCC3=O)ccc2[nH]1 55551701 URQDMQZIHLKFBK-UHFFFAOYSA-N 300.362 2.212 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)Cc1coc2cc(OC)ccc12)C(N)=O 70698513 UCTICIVQQFELBF-QLJPJBMISA-N 318.373 2.000 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)CSc1nccc(=O)[nH]1 6309477 XNAUUPXSUZHTFU-UHFFFAOYSA-N 309.778 2.463 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H]3CCCC[C@H]32)cc1 13996949 KBBYFBBNPXYOHV-ILXRZTDVSA-N 307.415 2.373 0 40 DEAB CC(C)n1nccc1NC(=O)c1nn2cccnc2c1Cl 19454615 GCSFTIIARTVFMR-UHFFFAOYSA-N 304.741 2.412 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccccn2)cc1C 19571446 HCFSREMPUKUKIY-CYBMUJFWSA-N 320.414 2.308 0 40 DEAB CCC(=O)N1CCC(c2nc(C)c3c(n2)N(C)CCC3)CC1 19705648 XCTGWXFSOHPUJD-UHFFFAOYSA-N 302.422 2.283 0 40 DEAB CO[C@@H]1COC[C@@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H]1O 643585498 QHQQYRXGRBLOGZ-HONMWMINSA-N 320.216 2.105 0 40 DEAB CC(C)(C)c1cn2nc(C(=O)N3CCSCC3)ccc2n1 1888860343 CSSHXXXTZKVFPG-UHFFFAOYSA-N 304.419 2.216 0 40 DEAB Cc1nc2ccccc2nc1N1CCN(c2ccncn2)CC1 1150783124 GTSRXBOPVWKQJM-UHFFFAOYSA-N 306.373 2.055 0 40 DEAB Cc1nnc(N2CCC(S(=O)(=O)c3ccccc3)CC2)s1 1776007789 FNMRYIMVZWMKSN-UHFFFAOYSA-N 323.443 2.289 0 40 DEAB Cc1nc(O)sc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 32902713 XTOCLKBSZXVOSR-SSDOTTSWSA-N 316.379 2.336 0 40 DEAB CCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](OC)CO3)cn1 1614927416 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NGPMANOBOBIRCG-UHFFFAOYSA-N 302.355 2.394 0 40 DEAB O=C(COC(=O)c1ccc2c(c1)CCC(=O)N2)Nc1ccccc1 21762494 RNLMRMSMERTZOU-UHFFFAOYSA-N 324.336 2.367 0 40 DEAB Cc1c(C(=O)NC[C@@H]2CCOC2)cnn1-c1ccccc1F 41368396 XGUPEKMMPVWAHZ-LBPRGKRZSA-N 303.337 2.086 0 40 DEAB CC[C@@H]1CCc2nc(NC(=O)[C@H](C)S(C)(=O)=O)sc2C1 46785777 LCUIMZVRHRYTKR-DTWKUNHWSA-N 316.448 2.030 0 40 DEAB C[C@@H](NC(=O)NCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 46914720 ADDNDEHLZMEFDI-MRVPVSSYSA-N 315.295 2.494 0 40 DEAB Cn1cc(CNC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cn1 2804162 JYNRWFSVCRZTMP-GFCCVEGCSA-N 316.405 2.489 0 40 DEAB O=C(O)CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 781734 QTKDRUABFJMKRT-UHFFFAOYSA-N 302.286 2.335 0 40 DEAB CC1(C)NC(=O)N(CNc2cccc(Br)c2)C1=O 3097235 WXJZQTWNYVNNKQ-UHFFFAOYSA-N 312.167 2.149 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](CC(C)C)N1CCCC1 42558961 IZEIFPUATPOJRQ-INIZCTEOSA-N 320.481 2.206 0 40 DEAB CC(C)(C)OC(=O)NC1CCN(C(=O)c2cccnc2)CC1 53774376 DGGQGJIRWFWWPN-UHFFFAOYSA-N 305.378 2.211 0 40 DEAB CCc1nc(CNC(=O)c2ccccc2Br)no1 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0 40 DEAB Cc1ncsc1C(=O)N(C)Cc1ccc2c(c1)OCCO2 44939269 JZACTBOHPIJLLW-UHFFFAOYSA-N 304.371 2.495 0 40 DEAB CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cc1 44967911 GNQXVWKCJMGRMS-LBPRGKRZSA-N 317.393 2.163 0 40 DEAB O=C(Cn1ccccc1=O)Nc1nc(-c2cccnc2)cs1 48289606 VUIYCQBDTAPARW-UHFFFAOYSA-N 312.354 2.006 0 40 DEAB COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1OC(F)F 12850531 BUFMLXJHACRCKV-UHFFFAOYSA-N 310.256 2.237 0 40 DEAB CCc1ccc([C@H]2N=C(N)Nc3nc(=O)c4ccccc4n32)cc1 20192259 OTVOVJAQIFVVLA-HNNXBMFYSA-N 319.368 2.246 0 40 DEAB O=C(CC1CC1)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306128241 GUYPCFXZTGBKEJ-ZDUSSCGKSA-N 320.364 2.017 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1cc(OC)ccn1 110691259 YTMIUWIGVHFPAX-KCXAZCMYSA-N 304.390 2.396 0 40 DEAB COc1ccc(NC(=O)c2cc(O)c(OC)cn2)c(OC)c1 16968349 QKAAWJFBVOZURM-UHFFFAOYSA-N 304.302 2.065 0 40 DEAB NC(=O)c1cc(NC(=O)CCCn2cccn2)ccc1Cl 63475066 SCXGJIZZKHBARP-UHFFFAOYSA-N 306.753 2.054 0 40 DEAB O=C(c1ccc(N2CCOCC2)cc1)N1CCCSCC1 64034800 NJHMUJAFWDTBTC-UHFFFAOYSA-N 306.431 2.102 0 40 DEAB CCN1C[C@H](C(=O)NCCc2c[nH]c3cc(C)ccc23)CC1=O 69485711 VGNZYESXFQPMQN-CQSZACIVSA-N 313.401 2.003 0 40 DEAB COC[C@H](C)NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 65428140 ZELIVJDKFSSAGD-GXTWGEPZSA-N 320.389 2.339 0 40 DEAB COc1ccc(C(=O)Nc2cnc3ccc(C)cn3c2=O)cc1 408610802 UMZUJNGDYKKOEO-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)[C@H]2CC=CCC2)CC1 69772071 VZVSFOFHZADTCT-INIZCTEOSA-N 316.449 2.294 0 40 DEAB CNS(=O)(=O)c1cccc(CNCc2ccccc2C)c1 66988939 KDMFGAOOQXKVHK-UHFFFAOYSA-N 304.415 2.193 0 40 DEAB O=C(NC[C@H](O)C(F)(F)F)c1c(O)cc(Cl)cc1Cl 80034970 ACETUUNMNLQASI-ZETCQYMHSA-N 318.078 2.352 0 40 DEAB O=C(Cn1nc(-c2cccs2)oc1=O)NC1CCCCC1 7250622 SFICXTWLDGBGIO-UHFFFAOYSA-N 307.375 2.014 0 40 DEAB CN(CC1CCOCC1)C1CCN(CCc2ccccn2)CC1 80969098 LIMQKWMWJAMWQT-UHFFFAOYSA-N 317.477 2.447 0 40 DEAB CCOc1ccccc1CNC(=O)N[C@@H](C)C(=O)N[C@H](C)CC 68404492 QEMNLXFRTVMFDZ-OLZOCXBDSA-N 321.421 2.188 0 40 DEAB CCOC(=O)[C@@H](OC(=O)CCNc1ccccc1)[C@H]1CCOC1 71913696 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320.343 2.086 0 40 DEAB NCC1CCC(C(=O)Oc2ccc(CCC(=O)O)cc2)CC1 1112 FHRSHSOEWXUORL-UHFFFAOYSA-N 305.374 2.374 0 40 DEAB biogenic,in-vitro Cc1cnn(C[C@H]2CCCN2c2nc(C)cc(N(C)C)n2)c1 71859605 LFOPGYZACMOHEO-CQSZACIVSA-N 300.410 2.025 0 40 DEAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCOCC(=O)O 517382300 VKTINKABZOJSOQ-BXUZGUMPSA-N 313.781 2.203 0 40 DEAB CC(C)OCCCNc1nnnc2c1cnn2-c1ccccc1 56907322 NLYFJLIRAWIVNF-UHFFFAOYSA-N 312.377 2.438 0 40 DEAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C(=O)O 33453503 LARBWXKOICWGSS-MRVPVSSYSA-N 308.334 2.461 0 40 DEAB Cc1cc(C)n(CCCNc2nc(C)nc3c(C)nn(C)c23)n1 32650608 ZYHAWFQAMVEJTK-UHFFFAOYSA-N 313.409 2.296 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2cc(C)ccc2OC)C1 39984870 RBBATYHNFSCAKZ-AWEZNQCLSA-N 319.401 2.348 0 40 DEAB COc1ccc(C)nc1NC(=O)NCCCn1nc(C)cc1C 127981087 ISVRMXBNNVAFFH-UHFFFAOYSA-N 317.393 2.424 0 40 DEAB COc1ccc([C@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218097839 SXJFNECNOKYECL-ULQDDVLXSA-N 317.410 2.210 0 40 DEAB C[C@@H]1CN(C(=O)C2=CCCCO2)c2ccccc2N(C)C1=O 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CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 5017896 PMZKFJJGARWNHV-JLUCKKNBSA-N 311.337 2.175 0 40 DEAB CCCNC(=O)CSc1nnc(-c2ccncc2)n1CCC 5430396 HCAWCUVHZHCRKR-UHFFFAOYSA-N 319.434 2.368 0 40 DEAB NC(=O)COc1ccc([C@H]2NN=C(c3ccccc3)S2)cc1 5899925 RQFRUEQUQANEHJ-INIZCTEOSA-N 313.382 2.248 0 40 DEAB COc1cc(C=O)ccc1OCC(=O)NCc1cccs1 3433360 FERAQJDCDVPWRA-UHFFFAOYSA-N 305.355 2.264 0 40 DEAB OC1CCC(NC[C@@H](O)COCc2ccccc2Cl)CC1 5936063 AAVIVBAPVULPGI-YMAMQOFZSA-N 313.825 2.111 0 40 DEAB C[C@H](Nc1ccc2nnnn2n1)c1ccccc1Br 12868307 HJPAMTQLIRCEMC-QMMMGPOBSA-N 319.166 2.455 0 40 DEAB COC(=O)C1(NC(=O)c2cc(C)cc(Br)c2)CC1 130291840 QMQRKPZPVDFFFI-UHFFFAOYSA-N 312.163 2.193 0 40 DEAB CCN1CCO[C@@H]2CN(C(=O)[C@H]3CC[C@H](C)CC3)CC[C@@H]2C1 1565553334 UNFYYZITNICEDN-QBPKDAKJSA-N 308.466 2.382 0 40 DEAB Cc1c(C(=O)C(=O)NCc2cccnc2)c2ccccc2n1C 4062550 XGMWPEFOZAVEFS-UHFFFAOYSA-N 307.353 2.381 0 40 DEAB Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CCOC2)CC1 585527563 UBEYMOMWYZQNDM-OAHLLOKOSA-N 304.390 2.044 0 40 DEAB COC(=O)CN(C(=O)c1ccc(OC)cc1)n1c(C)ccc1C 34776625 MIHLVWBRZSLBPH-UHFFFAOYSA-N 316.357 2.065 0 40 DEAB CC(=O)N[C@@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 81278406 HALDYESKHWVAGA-INIZCTEOSA-N 303.383 2.316 0 40 DEAB COc1cn(-c2ccccc2)nc1C(=O)N1C[C@H](C)OC[C@@H]1C 40499012 JXTIMNYLWKBTJR-STQMWFEESA-N 315.373 2.130 0 40 DEAB CCCNC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(C)o2)C1 50724896 INLWNOZJTAFZFB-VFNNOXKTSA-N 304.390 2.366 0 40 DEAB COc1cccc(C(=O)Nn2c(C)nc3ccccc3c2=O)c1 182540 IFTBYGUWUSEZIH-UHFFFAOYSA-N 309.325 2.097 0 40 DEAB CCc1nn(C)cc1C(=O)Nc1cccc(N(C)C(C)=O)c1 92487880 PXPFWNGZQFSZJX-UHFFFAOYSA-N 300.362 2.218 0 40 DEAB COc1ccc(OCCSc2nc3c(N)ncnc3[nH]2)cc1 2503564 HDCHMZUARAIEQF-UHFFFAOYSA-N 317.374 2.115 0 40 DEAB Cc1cnc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)cn1 32428048 HPLUPJKZWKHITK-GFCCVEGCSA-N 316.430 2.023 0 40 DEAB CS(=O)(=O)N1CCc2cc(C(=O)Nc3ccccc3)ccc21 381696 UDAGPYPMUHLLJW-UHFFFAOYSA-N 316.382 2.261 0 40 DEAB COc1ccc(Cl)cc1CC(=O)N1CCCC[C@H]1C(=O)O 36968268 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Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1cccs1)N(C)C 22968721 DPQIZTADDSTIRD-AWEZNQCLSA-N 320.462 2.060 0 40 DEAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NCc1cccs1 22544726 DJYDILGZPYNNFK-SNVBAGLBSA-N 324.431 2.126 0 40 DEAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1O 24832398 HQUFYEHZFXGKFE-UHFFFAOYSA-N 303.289 2.256 0 40 DEAB COc1ccc(C2(CNCc3ncc[nH]3)CCOCC2)cc1 67694228 GAESRLYRINWCIH-UHFFFAOYSA-N 301.390 2.256 0 40 DEAB CC[C@@H]1CN(C(=O)[C@H](C)c2ccsc2)C[C@@H]1N1CCOCC1 107323220 MPDYUSWIAACXOA-FMKPAKJESA-N 322.474 2.421 0 40 DEAB CCCc1noc(CN2CCN(c3ccccc3F)CC2)n1 55662803 GYUQVLFELVWMCR-UHFFFAOYSA-N 304.369 2.483 0 40 DEAB O=C(NCCC1=CCCCC1)N1CCN(c2cnccn2)CC1 44895218 YCYBKDVQPLPZTD-UHFFFAOYSA-N 315.421 2.199 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)NC1CCN(C(C)=O)CC1 44870903 OIDOLDWRPYYKPB-FNORWQNLSA-N 316.401 2.144 0 40 DEAB Cc1cccc(C)c1NC(=O)C1(NC(=O)[C@@H](C)O)CCCC1 3176160 GONYVJAJXHIJRZ-CYBMUJFWSA-N 304.390 2.052 0 40 DEAB CCCN(CC(F)F)C(=O)CCc1nc2ccccc2c(=O)[nH]1 58225227 ZMBZESVUNOLZIH-UHFFFAOYSA-N 323.343 2.359 0 40 DEAB O=C(NCc1ccnc(N2CCCCC2)c1)NC[C@H]1CCCO1 44966237 OBBUKCQIBHCMID-OAHLLOKOSA-N 318.421 2.050 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccs1 44911764 SCZUCBSDNIZSJN-RKDXNWHRSA-N 320.336 2.336 0 40 DEAB Cc1ccc2nc(CN(C[C@H](C)O)c3ccccc3)cc(=O)n2c1 58330367 GFSJBANHTXINRB-HNNXBMFYSA-N 323.396 2.390 0 40 DEAB COc1cccc(C(=O)N2CCN(c3nccs3)CC2)c1 10669149 XYVSOGRVCAAAGY-UHFFFAOYSA-N 303.387 2.114 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H]1Cn1cccn1 70021019 SPSVOEZLDUUEJM-CYBMUJFWSA-N 307.357 2.131 0 40 DEAB COC[C@H](O)CN(C)Cc1csc(Cc2ccccc2)n1 70039645 URVCJRGRIOQMGH-OAHLLOKOSA-N 306.431 2.173 0 40 DEAB COC(=O)c1ccc(-n2ncc(NC3CC3)c(Cl)c2=O)cc1 48314293 ISACPDQWSLMQFV-UHFFFAOYSA-N 319.748 2.247 0 40 DEAB CN(C)[C@H](CNC(=O)c1ccc2[nH]nnc2c1)c1cccs1 12814174 YMFITXCAVYWOED-CYBMUJFWSA-N 315.402 2.052 0 40 DEAB O=C(O[C@@H]1CCOC1=O)c1ccc(C(=O)c2ccccc2)cc1 3489169 AQKJCVRVEQKQAU-OAHLLOKOSA-N 310.305 2.390 0 40 DEAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OCO2 3413147 HAARLSWHZDXTQC-SSDOTTSWSA-N 309.372 2.386 0 40 DEAB CN1CCN(C(=O)COCC(F)(F)F)[C@H](c2ccccc2)C1 69350419 SAQQAIBZJHQLSI-ZDUSSCGKSA-N 316.323 2.081 0 40 DEAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC(=O)N(C)C1 69348998 CBSVCZGGPGWZMH-VHSXEESVSA-N 312.822 2.168 0 40 DEAB C[C@@H]1NCCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 91496893 PSUSVKLYDMHRGI-ONGXEEELSA-N 322.352 2.124 0 40 DEAB Cc1ncc2c(n1)CN(Cc1nc(-c3ccsc3)no1)CC2 69420792 BTQJRTNJIQOBKP-UHFFFAOYSA-N 313.386 2.455 0 40 DEAB Cc1nc(S[C@@H](C)C(=O)NC(N)=O)n(C2CCCC2)c1C 5090292 YWLRXKPDIZIWQX-JTQLQIEISA-N 310.423 2.291 0 40 DEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CC(N)=O 69566660 KDPYPGWVLWEPQI-YPMHNXCESA-N 324.808 2.364 0 40 DEAB O=C(/C=C/c1ccccn1)NCc1ccccc1N1CCOCC1 65474412 RRSBJHHKVVBAHG-CMDGGOBGSA-N 323.396 2.248 0 40 DEAB CC(C)CN1CCC(C(=O)NCCN2CCC[C@@H](C)C2)CC1 65405234 VSCXVZWFXIGFQU-MRXNPFEDSA-N 309.498 2.203 0 40 DEAB COc1ccc(C(=O)COC(=O)c2cnc(C)cn2)cc1Cl 5315449 CAERXORHOSMASZ-UHFFFAOYSA-N 320.732 2.487 0 40 DEAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cccn2C)cc1 4564281 LYAKSYAFRUJUII-UHFFFAOYSA-N 314.341 2.413 0 40 DEAB CCN1CCCC[C@@H]1CNC(=O)Cc1ccc(NC(C)=O)cc1 69619786 FCXGIAXWZKEBNV-QGZVFWFLSA-N 317.433 2.178 0 40 DEAB CCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 5505156 YQDZSXGDILANKC-CQSZACIVSA-N 320.414 2.441 0 40 DEAB COC(=O)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 6626350 MQDPEBBDHHHEML-OAHLLOKOSA-N 319.382 2.020 0 40 DEAB Cc1csc(=O)n1CC(=O)N[C@@H]1CCCc2ccccc21 5798184 AJSUDHWJFZBBRT-CQSZACIVSA-N 302.399 2.412 0 40 DEAB O=C1OCc2cc(NC(=O)[C@@H]3COc4ccccc4O3)ccc21 4923175 HOVLAKHAVDCMKT-HNNXBMFYSA-N 311.293 2.136 0 40 DEAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccc(C)o2)c1 67010444 LSJULEAXTBGBSU-GFCCVEGCSA-N 308.403 2.347 0 40 DEAB Cc1cc(C(=O)NCCc2nc3c(s2)CCCC3)n(C)n1 69846531 SADVLRCYNBBOCG-UHFFFAOYSA-N 304.419 2.036 0 40 DEAB CCCC12CN3CC(CCC)(CN(C1)C31CCN(C)CC1)C2=O 19331118 BASIREGGTDZVRR-UHFFFAOYSA-N 319.493 2.195 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccccc1SCC(N)=O 8752766 UAYCICYAPBRHQD-UHFFFAOYSA-N 305.359 2.121 0 40 DEAB COc1cc(C)c([C@@H]2CC(=O)N=C3N=CNN32)cc1C(C)C 409379453 XUJKVBQQHSYSIY-ZDUSSCGKSA-N 300.362 2.303 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@@H]2c2cnn(C)c2)n1 71796769 VHISRTWXLHHWNU-CYBMUJFWSA-N 317.393 2.223 0 40 DEAB c1cc2c(cc1OCCN[C@H]1CCN3CCC[C@@H]3C1)OCO2 96484322 TZNLCWQNZVXJKX-UONOGXRCSA-N 304.390 2.011 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(CCOC2CCCCCC2)C1 96419559 FVHRWWYODWACLU-OAHLLOKOSA-N 309.454 2.215 0 40 DEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN2CCCC[C@H]2C1 71839963 GRVFGAGXJHWKEB-SFHVURJKSA-N 324.428 2.242 0 40 DEAB Cc1ccc2oc(=O)n(CN(C[C@H]3CCOC3)C3CC3)c2c1 71817268 QOCFYKVKCAWNJF-CYBMUJFWSA-N 302.374 2.361 0 40 DEAB CCCCc1nc(CN[C@]2(CO)CCc3ccccc32)no1 89954863 SXBUCZWIBMGGNJ-KRWDZBQOSA-N 301.390 2.336 0 40 DEAB CCCc1ncc(C(=O)N2CCS[C@@H]3COCC[C@H]32)s1 89960532 IFGKZUZTBCZZSA-ZYHUDNBSSA-N 312.460 2.442 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)N3CCCCCC3)C2)no1 72284676 HZUXPSCLEYQOGK-UKRRQHHQSA-N 320.437 2.349 0 40 DEAB C[C@H](c1ccsc1)N1CCN(C(=O)NC2CCOCC2)CC1 97142582 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CCO[C@H]1C[C@@H](NC(=O)Cc2cnn(C)c2)C12CCCCC2 98016447 YXNSMBSVYLOBSB-CABCVRRESA-N 305.422 2.207 0 40 DEAB CCCN1CCC[C@@H]1C(=O)Nc1cccc(N2CCOC2=O)c1 95957891 CDZXTQHBWUGUEV-OAHLLOKOSA-N 317.389 2.456 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc(Cl)ccn3)[C@@H]2C1 95974330 PZKGILRMOSBZEH-MRVWCRGKSA-N 310.781 2.144 0 40 DEAB Cn1c(CCCNc2ncnc3[nH]cnc23)nc2ccccc21 79047791 DKAVGZPZZWDWBT-UHFFFAOYSA-N 307.361 2.284 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@H]2CCCC[C@@H]21 74814189 QVVIUVJQTXPOMW-OLZOCXBDSA-N 316.467 2.174 0 40 DEAB CN(C)c1ccccc1NC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 89326817 IIDYRHDTORMVSK-DZGCQCFKSA-N 316.405 2.028 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1C1CCCCC1 79972116 SIAKLMARSIVBQD-GJZGRUSLSA-N 307.438 2.409 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306137910 RJVGTLKKKDKSQQ-MRXNPFEDSA-N 318.417 2.406 0 40 DEAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cc2ccccc2s1 75161487 LBDMUJQSWASIJS-LLVKDONJSA-N 300.383 2.394 0 40 DEAB C[C@@H]1CN(CCCS(C)(=O)=O)c2cc(Cl)ccc2O1 76005406 CQPZIZCWQLFBPI-SNVBAGLBSA-N 303.811 2.362 0 40 DEAB COc1ccccc1Oc1ccc(C(=O)N2CCN(C)CC2)o1 72265321 SYZVNMWGEPWTSE-UHFFFAOYSA-N 316.357 2.468 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)[C@H](C)n3cccn3)c2c1 79050995 OMFSEICZTWORDU-LBPRGKRZSA-N 312.373 2.293 0 40 DEAB C[C@@H]1CN(C(=O)c2cccnc2-n2cccn2)c2cccnc2O1 189062039 AFMCGWXXXKSFCG-GFCCVEGCSA-N 321.340 2.090 0 40 DEAB CCn1cc(CNC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 189606930 QSDWGVPNWIPFNP-QWHCGFSZSA-N 305.344 2.476 0 40 DEAB Cc1cnc2cc(C(=O)Nc3ccc4nc(O)n(C)c4c3)ccn12 1567946767 WXHLSFUBMBIZJA-UHFFFAOYSA-N 321.340 2.487 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1ccccc1 44289929 WRYKUICDTQDMRY-LBPRGKRZSA-N 301.371 2.386 0 40 DEAB CCN([C@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 563490588 KHMXXYHESWXDAY-ZDUSSCGKSA-N 323.414 2.005 0 40 DEAB CCO[C@@H](C)c1noc(CS(=O)(=O)c2ccoc2C)n1 191090268 WGHLLFAFXVRZLY-VIFPVBQESA-N 300.336 2.042 0 40 DEAB Cc1cccc2c1cnn2CCC(=O)N1C[C@H](C)O[C@@H](C)C1 40758324 HGYSPTYOLQDRKH-KBPBESRZSA-N 301.390 2.371 0 40 DEAB Cc1cc(NC(=O)CSCCC(=O)OC(C)(C)C)no1 225642366 PDJFTEVMIXVAFK-UHFFFAOYSA-N 300.380 2.387 0 40 DEAB O=C(O)COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225589434 NQJNSVZHYSSXPN-UHFFFAOYSA-N 312.536 2.459 0 40 DEAB COC(=O)c1cc(-n2cnnc2)ccc1N1CCCC[C@@H]1C 226277654 OMWDFJMWSZOKIA-LBPRGKRZSA-N 300.362 2.433 0 40 DEAB OCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccs1 223562401 CLHBPEXTJHOHOX-QWHCGFSZSA-N 305.428 2.108 0 40 DEAB CC[C@@H](Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1)C(N)=O 190796612 KTZIEPRQIACMEU-QGZVFWFLSA-N 318.465 2.201 0 40 DEAB C[C@H]1[C@H](C)[S@@](=O)CCN1C(=O)[C@H](C)CCOc1ccccc1 195531898 JWNNNONSXUIANM-SGRMJCNGSA-N 323.458 2.460 0 40 DEAB CCn1nncc1C(=O)N1CC[C@@](F)(c2cc(F)cc(F)c2)C1 332101541 GQKCXBRHZZBLGN-HNNXBMFYSA-N 324.306 2.287 0 40 DEAB c1cncc(O[C@H]2CN(Cc3ccoc3)[C@H]3CCCO[C@H]23)c1 96058077 ASROFTVAYQWGAI-ULQDDVLXSA-N 300.358 2.485 0 40 DEAB Cc1cnc(N2CCC3(CCN(CC(C)C)C3=O)CC2)nc1 96157733 RFISGLNBXARKKS-UHFFFAOYSA-N 302.422 2.260 0 40 DEAB C[C@@H](CC(=O)c1ccc(F)cc1)NS(=O)(=O)c1cccnc1 96496831 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NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)O)c1 262104330 DACQCAANBGGRDY-CYBMUJFWSA-N 319.361 2.037 0 40 DEAB Cc1csc(C(=O)N[C@H]2CCc3nc(N(C)C)ncc3C2)c1 618257468 XDLRTMPTQALSNW-LBPRGKRZSA-N 316.430 2.200 0 40 DEAB COC[C@H]1CN(C(=O)Cc2noc3ccccc23)CC(C)(C)O1 285040370 NODQCRRLGPVMFW-GFCCVEGCSA-N 318.373 2.023 0 40 DEAB O=C(NCCc1csc(-n2cccn2)n1)c1ccsc1 90609493 WKPQZQHCJYJBLP-UHFFFAOYSA-N 304.400 2.363 0 40 DEAB O=C(CCF)N1Cc2cccn2C[C@@H](OCc2ccccn2)C1 585095204 HOAICGRCLLNQJU-MRXNPFEDSA-N 317.364 2.170 0 40 DEAB Cc1cc(C)nc(N2CC[C@@](O)(COc3ccc(F)cc3)C2)n1 585278612 UQLPPXDWJZPDIB-KRWDZBQOSA-N 317.364 2.253 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2ccccn2)n1 44946362 IGMGRUHCFKWZNO-LBPRGKRZSA-N 301.394 2.030 0 40 DEAB O[C@H](Cn1nnc(-c2ccccc2)n1)c1ccc(F)cc1F 57265791 ZJCFGEPYZGBBKW-CQSZACIVSA-N 302.284 2.352 0 40 DEAB COc1ccc(CCNC(=O)NC[C@@H](O)C2CCCCC2)cc1 69225625 TVDQENVLESHKAX-QGZVFWFLSA-N 320.433 2.478 0 40 DEAB Cn1cc(C(N)=O)cc1C(=O)O[C@H]1CCc2ccc(F)cc21 95410471 HXBOMEXXITTYCY-AWEZNQCLSA-N 302.305 2.107 0 40 DEAB Cc1cnn(CCC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c1 95960565 NVDUCGSJRWNCGT-CQSZACIVSA-N 319.336 2.053 0 40 DEAB O=C([C@H]1CC=CCC1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025382 CILHBRIHWUTPAJ-HOCLYGCPSA-N 319.426 2.418 0 40 DEAB O=C(NC[C@@]1(O)CCSC1)C1(c2ccc(Cl)cc2)CC1 96446904 QLDSSQLTQJYYFF-AWEZNQCLSA-N 311.834 2.356 0 40 DEAB CC(C)(C)NS(=O)(=O)c1ccc(-c2nnc(S)o2)cc1 13534714 ZKEBWFWIABHNGD-UHFFFAOYSA-N 313.404 2.102 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169293740 KLUOKEFZKFKDQD-YIKOMLBNSA-N 311.337 2.175 0 40 DEAB C[C@@H](Sc1cnn[nH]1)C(=O)Nc1ccc2c(c1)OCCCO2 268176322 ROPUBCJJIXVLFM-SECBINFHSA-N 320.374 2.085 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)CCCn2ccnc2)ccn1 1848352306 VMXGOPQSWWSAAU-HNNXBMFYSA-N 313.405 2.464 0 40 DEAB O=C(Cn1cccnc1=O)N[C@H](c1cccs1)C1CCCC1 32397977 DJYOXUZYYMVTQL-HNNXBMFYSA-N 317.414 2.353 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c(C)c1 2710787 MCJOVQLCUNBOCS-VXGBXAGGSA-N 320.414 2.121 0 40 DEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1OC 9820582 POJMOSHNRXNERO-OAHLLOKOSA-N 310.353 2.013 0 40 DEAB O=C(CCS(=O)(=O)Cc1ccccc1)NCc1ccccc1 10620729 RJTMXICUEUTMAK-UHFFFAOYSA-N 317.410 2.308 0 40 DEAB Cc1ccsc1CCC(=O)NCCOCCn1ccnc1 606440815 TUXLXBCQDJYKQO-UHFFFAOYSA-N 307.419 2.019 0 40 DEAB O=C(C[C@H]1C=CCC1)Nc1nc(CN2CCOCC2)cs1 40487754 AQSIRJPQPZXJHT-LBPRGKRZSA-N 307.419 2.270 0 40 DEAB CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC(n2ccnc2)CC1 83897685 SWRDJZWYQWGPJH-GJZGRUSLSA-N 306.410 2.187 0 40 DEAB O=C(NCc1ccoc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 45783716 BDFKLCYVCPPWEL-OAHLLOKOSA-N 314.341 2.327 0 40 DEAB Cc1nn(CN(C)Cc2cnn(C)c2)c(C)c1Br 68613719 DCJIUBNJHKKBRD-UHFFFAOYSA-N 312.215 2.085 0 40 DEAB CNC(=O)CCn1nc(-c2ccccc2)c2ccccc2c1=O 204015 UXSLBFSKUHZQHL-UHFFFAOYSA-N 307.353 2.200 0 40 DEAB O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1cccnc1 4943244 ZRNKQHPLUJDZRI-UHFFFAOYSA-N 306.285 2.260 0 40 DEAB C[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)N1CCOC[C@@H]1C 71900313 BZAPAJSFZKEMFR-RYUDHWBXSA-N 319.380 2.146 0 40 DEAB Cc1nc(Cl)cc(N2CCN(C3=NC[C@@H](C)S3)CC2)n1 71922398 BYQZTZVDEFKTEG-SECBINFHSA-N 311.842 2.052 0 40 DEAB O=C1CCc2cc(C(=O)Nn3cnc4ccccc43)ccc2N1 32855786 BFRLDOWNMONFGQ-UHFFFAOYSA-N 306.325 2.305 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(F)cc2)C1 32934328 VKMUETCDLIBKPO-DZGCQCFKSA-N 319.380 2.280 0 40 DEAB Cc1cc2c(c(Br)c1N)=N[C@@H](c1ccc(F)cc1)N=2 103533585 GOAMDCGGKHJEEG-AWEZNQCLSA-N 320.165 2.430 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1 89656303 FRIZCHLUIOEGRC-NSHDSACASA-N 305.403 2.258 0 40 DEAB CCn1c(=O)n(CC(=O)N(C)Cc2ccco2)c2ccccc21 21972824 HNJVWODIAPKDKU-UHFFFAOYSA-N 313.357 2.075 0 40 DEAB COc1ccc2cc(CN(C)C(=O)c3nccnc3N)ccc2c1 22275983 GTZIXLGQCFVIBO-UHFFFAOYSA-N 322.368 2.493 0 40 DEAB CCO[C@]12NC(=O)CC(=O)N1C(c1ccc(Cl)cc1)=CS2 12322645 TYNGNPHDRROGGB-AWEZNQCLSA-N 324.789 2.382 0 40 DEAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCC1=O 22626198 QXMCVCKFBLSUJA-LBPRGKRZSA-N 324.808 2.236 0 40 DEAB CCN(Cc1ccc(C(=O)N2CC[C@@H](CO)C2)cc1)C(C)C 179672348 GYTYUJHNXXGWDU-MRXNPFEDSA-N 304.434 2.371 0 40 DEAB Cc1cccc(-c2nn(CN3CCOCC3)c(=S)n2C)c1 23381583 KPDATCPNQRWNJP-UHFFFAOYSA-N 304.419 2.216 0 40 DEAB O=C1c2ccccc2C(=O)N1CN1CCC[C@H]1c1cccnc1 24758618 RJCFKKXXDMTNFD-INIZCTEOSA-N 307.353 2.472 0 40 DEAB CCn1c(C)cc(C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 102903024 IOCYRAQMLUWMOX-OKILXGFUSA-N 314.385 2.259 0 40 DEAB C[C@H]1CN(CCCNC(=O)Nc2ccccc2F)C[C@@H](C)O1 24989644 OITMCHWUPWTIQX-BETUJISGSA-N 309.385 2.447 0 40 DEAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NO[C@@H]1CCCCO1 106517776 FOLCIJDLUPNMDU-ARXVPCOYSA-N 309.406 2.282 0 40 DEAB C[C@H](NC(=O)CNc1cc(Cl)ccc1C(N)=O)c1ccco1 25746374 ILMXNEBEWHZJAY-VIFPVBQESA-N 321.764 2.321 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)NCCN1CCC[C@H](C)C1 65396380 CKKJOZZWXLUESJ-AWEZNQCLSA-N 306.454 2.488 0 40 DEAB O=C(CN1CCN(c2nccs2)CC1)Nc1cccc(F)c1 57463015 HQVUPALCMKDXOW-UHFFFAOYSA-N 320.393 2.043 0 40 DEAB C[C@@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NCc1ccco1 58014145 QFECHNXUVMXBIF-SECBINFHSA-N 322.748 2.377 0 40 DEAB O=C(CCSc1nc2ncccn2n1)Nc1ccc(F)cc1 58208915 WRRPLWLZWFLQAV-UHFFFAOYSA-N 317.349 2.384 0 40 DEAB COc1ccc(C(=O)NCc2ccnc(OC)c2)c(OC)c1 48285967 VVXDXUSSBVLKCW-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB O=C(NC[C@H]1CCOC1)Nc1ccc(OCC(F)(F)F)nc1 48201466 JBYAMWNMLKEGTQ-SECBINFHSA-N 319.283 2.181 0 40 DEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O 3460376 YQXMZYOVRDVEDD-SFHVURJKSA-N 323.352 2.092 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3436847 FXCRQLKMXCWRBQ-DGCLKSJQSA-N 319.357 2.267 0 40 DEAB CC[C@H](C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC 12900723 NNMIXCYAZIILED-WFASDCNBSA-N 304.390 2.342 0 40 DEAB biogenic CCNC(=O)CN(CC)C(=O)NCC1(c2ccccc2C)CC1 69389797 LRXLKYWKOUUSBM-UHFFFAOYSA-N 317.433 2.194 0 40 DEAB CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@H]4C2=O)cc1 3881822 GSGREUANUSWPFE-LDDOYCOJSA-N 313.353 2.181 0 40 DEAB biogenic CCN(CC)C(=O)c1cc(Cl)ccc1NS(C)(=O)=O 69417424 SSSWLWDOXOTIHU-UHFFFAOYSA-N 304.799 2.194 0 40 DEAB CCCc1noc([C@H](C)N2CCN(Cc3cc(C)on3)CC2)n1 69491375 ZECNUCXBVOJWMJ-ZDUSSCGKSA-N 319.409 2.197 0 40 DEAB Cc1cccc(C2(C(=O)N3CCn4c(C)nnc4C3)CCC2)c1 69459710 PQHTUHVUGGGXTJ-UHFFFAOYSA-N 310.401 2.359 0 40 DEAB CCN(CCNC(=O)c1cc(C)n(C)n1)c1cccc(C)c1 65402527 QGRHOAUHOBNQOZ-UHFFFAOYSA-N 300.406 2.293 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1cc(-c2cccc(Cl)c2)no1 65536526 GDLPACCGIAQUOW-QMMMGPOBSA-N 308.721 2.286 0 40 DEAB CO[C@H](C)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 65611641 QBUOMSCLGXGMNT-GFCCVEGCSA-N 322.430 2.157 0 40 DEAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C(N)=O)C(C)C 69623747 ZZAGBRRUEBLPGN-GXFFZTMASA-N 312.797 2.042 0 40 DEAB Cc1ccccc1Cn1nnc(C(=O)NCc2ccccc2)c1N 6772540 UNFKVZDOOHLXFZ-UHFFFAOYSA-N 321.384 2.147 0 40 DEAB CC(C)n1c(CNC[C@H]2CCS(=O)(=O)C2)nc2ccccc21 69895879 YKDHFDPBGCUKFA-CYBMUJFWSA-N 321.446 2.142 0 40 DEAB COc1ccccc1S(=O)(=O)N[C@@H]1CCOc2ccccc21 69822346 CSYVTCAAEKRSBG-CYBMUJFWSA-N 319.382 2.497 0 40 DEAB CCCCn1nnnc1CN1CCCC[C@H]1Cn1cc(C)cn1 69814903 XHQTZQLSQLDGGS-HNNXBMFYSA-N 317.441 2.033 0 40 DEAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCC(C)CC2)n1 16039483 YSCICRYOFYAIDN-UHFFFAOYSA-N 309.435 2.073 0 40 DEAB CCOc1ccc(CC(=O)OCC(=O)NC2CCCC2)cc1 9033460 ZMGMERRVOZQTLJ-UHFFFAOYSA-N 305.374 2.230 0 40 DEAB CC[C@@]1(C)Cc2ccccc2-c2nc(NCCCO)[nH]c(=O)c21 9008017 OOZLGRFMKGSZOX-SFHVURJKSA-N 313.401 2.455 0 40 DEAB COC(=O)[C@@H](NC(=O)Cc1ccon1)c1ccc2ccccc2c1 96009018 QZTAJAAWJSLUCJ-KRWDZBQOSA-N 324.336 2.401 0 40 DEAB Cc1n[nH]c(=O)nc1NCCc1csc(-c2ccccc2)n1 19689570 DXCVMEYAGUVODE-UHFFFAOYSA-N 313.386 2.251 0 40 DEAB Cc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1C 9722501 ZZYTXGVQRLMNIF-UHFFFAOYSA-N 318.402 2.254 0 40 DEAB O=C1NC2(CCSCC2)C(=O)N1CN(C1CCCC1)C1CC1 71795904 RQNLBERXWXPKNQ-UHFFFAOYSA-N 323.462 2.169 0 40 DEAB CCn1c(C)cc(C(=O)O[C@H](C)C(=O)Nc2ncccn2)c1C 71793268 OKXVMZWZRORDQV-GFCCVEGCSA-N 316.361 2.099 0 40 DEAB CC(C)[C@H](C)CC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 96410239 FYYLGEMYFZBWIE-GFCCVEGCSA-N 312.435 2.357 0 40 DEAB NC(=O)C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 9513591 NYCYACUUUPTGFC-UHFFFAOYSA-N 315.200 2.260 0 40 DEAB CC(C)OCCC(=O)NCCc1csc(N2CCCC2)n1 89887818 NLXOLWXLBJNZLG-UHFFFAOYSA-N 311.451 2.217 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n[nH]1 84110450 PIWYQGDZRAPWQQ-LSDHHAIUSA-N 321.421 2.010 0 40 DEAB C[C@@H](CO)S(=O)(=O)CCCc1ccccc1Br 97085303 CKTSPFCRVUMCJG-JTQLQIEISA-N 321.236 2.177 0 40 DEAB Cc1ccc2[nH]c(C(=O)N3CCc4nnc(N)cc4C3)cc2c1 84208217 MFQDZIZQAAWSGW-UHFFFAOYSA-N 307.357 2.047 0 40 DEAB CCOCCC1(CNC(=O)Nc2cccn(C)c2=O)CCC1 89986805 CZIRQDVYTRTMRH-UHFFFAOYSA-N 307.394 2.104 0 40 DEAB COC1CCC(OC(=O)c2ccc(-n3ccnn3)cc2)CC1 89982473 WEFMBVCPVQADLV-UHFFFAOYSA-N 301.346 2.382 0 40 DEAB Cc1cccc([C@H](C)CNC(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1 97162002 GWJPWUAHAZBIBR-INMHGKMJSA-N 320.433 2.280 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](C)c1c(C)noc1C 97229924 SFUFPMZZEXTKRK-JTQLQIEISA-N 318.377 2.224 0 40 DEAB CC[C@H](N[C@@H](C)c1ccc(OC)c(Br)c1)C(N)=O 75610823 QNEVQVOCYNOCPX-KWQFWETISA-N 315.211 2.372 0 40 DEAB CCCc1cc(NC(=O)c2ccc(-c3noc(O)n3)cc2)n[nH]1 95398083 KZZLFZFFLZYGQW-UHFFFAOYSA-N 313.317 2.370 0 40 DEAB CC(C)(C)[C@H](NC(=O)N[C@@H]1CCCNC1=O)c1cccc(F)c1 95408149 RCLFOUKQDUVTAG-ZIAGYGMSSA-N 321.396 2.491 0 40 DEAB O=c1c2ccccc2cnn1CN1CCO[C@@H](c2ccccc2)C1 29893422 KFHXOBRFIWUCBT-GOSISDBHSA-N 321.380 2.428 0 40 DEAB Cn1ccnc1[C@H]1N(C(=O)CC2(O)CCCCC2)CC1(C)C 514712006 USQWZTGSHPQABA-CQSZACIVSA-N 305.422 2.415 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](O)(CN)c1ccccc1 72207999 DBFWNSCDJLQVOI-PBHICJAKSA-N 306.406 2.232 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCCCn2cc(C)cn2)C12CCC2 73946761 YNRAAEHTZOKMBT-LSDHHAIUSA-N 320.437 2.229 0 40 DEAB CC(=O)NCCC(=O)NCCOc1cccc(C(C)(C)C)c1 70962192 SCAIVRCXFPOFLT-UHFFFAOYSA-N 306.406 2.005 0 40 DEAB CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccn2C)C1 78393920 LKTCTGGKGHDCFW-ZDUSSCGKSA-N 321.421 2.497 0 40 DEAB Cc1cc(C(=O)N2CCSCC2)nc(N2CCCCCC2)n1 72241522 PPVSLOQMNBRUIT-UHFFFAOYSA-N 320.462 2.354 0 40 DEAB CCO[C@H]1C[C@@](O)(CNC(=O)c2ccncc2Cl)C1(C)C 225612679 YXHHHIOZXSMOKE-SWLSCSKDSA-N 312.797 2.031 0 40 DEAB COC(CNC(=O)c1cccc(Br)c1C)OC 88441307 QQGOFSQVRJTUDW-UHFFFAOYSA-N 302.168 2.106 0 40 DEAB COc1ncccc1CN(CCC(N)=O)c1ccc(F)cc1 225615060 OZVOYRVVKSKDMS-UHFFFAOYSA-N 303.337 2.111 0 40 DEAB COc1ccccc1CN1CCc2nc(SC)nc(O)c2C1 96531494 DODLQMBMIWZWLA-UHFFFAOYSA-N 317.414 2.471 0 40 DEAB O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1nncs1 97379355 RRCLHPXCONIWGF-UHFFFAOYSA-N 323.321 2.499 0 40 DEAB O=C1COC2(CCN(Cc3cccs3)CC2)CN1CC1CC1 96201382 XWEZRHZGRLFKLF-UHFFFAOYSA-N 320.458 2.352 0 40 DEAB CC(C)CCN1C[C@H]2O[C@H](C[C@@H]2C(=O)Nc2cccnc2)C1 96253367 HHLIVXQIIDPOOH-OWCLPIDISA-N 303.406 2.156 0 40 DEAB Cc1cccc2c1OC[C@@H](NC(=O)[C@H]1CCC(=O)c3cccn31)C2 332858047 UCQKSCWPGLKXJV-GOEBONIOSA-N 324.380 2.434 0 40 DEAB CNC(=O)[C@H](NCCc1ccc2c(c1)CCO2)c1ccccc1 96443289 WOVOEZZKMTVZIL-GOSISDBHSA-N 310.397 2.241 0 40 DEAB C[S@@](=O)c1cccc(NC(=O)NCCc2cccc(O)c2)c1 96411512 BGOHORAOJFGTOQ-QFIPXVFZSA-N 318.398 2.494 0 40 DEAB CC(=O)c1cc(C(=O)NCc2nc3cccc(C)c3n2C)n(C)c1 96483093 KNTCJMHCSOOWFX-UHFFFAOYSA-N 324.384 2.353 0 40 DEAB O=C(c1cccnc1)N1CC2(CCN(Cc3ccsc3)C2)C1 96202766 GIMOUOBLXZFHSM-UHFFFAOYSA-N 313.426 2.491 0 40 DEAB COc1cccc(C(=O)N2CCCc3c(OC)nn(C)c3C2)c1 96254467 CWQZSXFWNOJMQP-UHFFFAOYSA-N 315.373 2.026 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 96455265 LDRLIBIIAMQADK-SECBINFHSA-N 315.299 2.452 0 40 DEAB Cn1cc(C(C)(C)NC(=O)c2ccnc(OCC(F)F)c2)cn1 95442997 NFXVCMFOEPKOFO-UHFFFAOYSA-N 324.331 2.124 0 40 DEAB COCCC(=O)N1CCC(N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 245289829 FKEQMTHRJDGYOI-QRIFCXAISA-N 320.477 2.428 0 40 DEAB CN1CCC(NC(=O)c2ncccc2-c2cccc(CN)c2)CC1 257228002 FRXZTTCUPSIIFD-UHFFFAOYSA-N 324.428 2.031 0 40 DEAB c1ccc(C[C@H]2CC3(CCN(c4ncccn4)CC3)CO2)nc1 257222553 DTSLGRFWFXTQFM-INIZCTEOSA-N 310.401 2.490 0 40 DEAB c1cncc(N2CCC3(CCO[C@@H]3Cc3cncnc3)CC2)c1 257271268 MXPOCVOZJQPCAA-QGZVFWFLSA-N 310.401 2.490 0 40 DEAB CC(=O)Nc1nc2nc(C3CCN(C(C)=O)CC3)ccc2s1 257253509 JZFDKYYHGJSAPI-UHFFFAOYSA-N 318.402 2.376 0 40 DEAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCCN(C)C 257173679 UZPDCRGACWDAJA-UHFFFAOYSA-N 301.365 2.488 0 40 DEAB Cc1nc([C@@H]2CCCN2CC2CCOCC2)cc(N(C)C)n1 257219532 DHCMYBJCYJYPNN-INIZCTEOSA-N 304.438 2.415 0 40 DEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(Cc3c[nH]cn3)CC[C@H]21 257267956 MJQNXZLTRQPXRF-GUDVDZBRSA-N 324.428 2.246 0 40 DEAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCOC[C@@H]1CO 85469644 SINUERMUJWVVRL-HNNXBMFYSA-N 313.353 2.312 0 40 DEAB CCO[C@@H]1C[C@@](NC(=O)c2ccoc2CC)(C(=O)O)C1(C)C 263538563 PTDIAHWNDRBTPO-MLGOLLRUSA-N 309.362 2.230 0 40 DEAB O=C(CCF)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575402346 AYXBZZQCBMNSBA-JTQLQIEISA-N 314.357 2.046 0 40 DEAB CO[C@H](CN1C(=O)N[C@@](C)(c2cccnc2)C1=O)C1CCCC1 585098113 KXKZUAVOFYOWBA-PBHICJAKSA-N 317.389 2.054 0 40 DEAB Cn1cc(C(=O)NC[C@H](c2ccco2)c2cccs2)nn1 585147687 GVTMMDHKZJPLLR-SNVBAGLBSA-N 302.359 2.032 0 40 DEAB CC(=O)N1CCC2(CC1)OCC[C@H]2CCOc1ccccn1 585105203 QBQZTSWHZRKYJF-OAHLLOKOSA-N 304.390 2.268 0 40 DEAB Cc1ncsc1C(=O)NCCNC(=O)c1ccccc1Cl 46581397 WWRMJKFOYLICQP-UHFFFAOYSA-N 323.805 2.265 0 40 DEAB O=C(NCCCCN1CCOCC1)c1ccc2ccccc2n1 48285556 LEVPNDCQMSQIMD-UHFFFAOYSA-N 313.401 2.077 0 40 DEAB CC(C)N(C)C(=O)NC[C@@H]1CC(=O)N(C)[C@@H]1c1ccccc1 96500369 RAQDJAOAZNRKQZ-GOEBONIOSA-N 303.406 2.256 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC[C@@H](C)c1ccc(F)c(F)c1 97230757 BRNWWCRBFYQDFM-MNOVXSKESA-N 305.390 2.481 0 40 DEAB COc1cccc(-n2cnnc2SCC(=O)NCC(C)C)c1 5895382 YQSVBICQHONCFN-UHFFFAOYSA-N 320.418 2.140 0 40 DEAB Cc1cc(SCC(=O)O)nc2nn(CC(F)F)c(C)c12 12398880 OBEMULRQKOJVPB-UHFFFAOYSA-N 301.318 2.490 0 40 DEAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1ccc(F)cc1 19286357 WRTOLYREEMTYNQ-LSDHHAIUSA-N 313.376 2.349 0 40 DEAB Cc1nc(C(=O)N2CC[C@H]3CN(c4ccccn4)C[C@@H]32)cs1 1889116545 HEPHRQZWHDNWIP-JSGCOSHPSA-N 314.414 2.197 0 40 DEAB O=C([C@H]1CN(Cc2ccccc2Cl)CCO1)N1CCCC1 1889128275 OGRSJRRZGDPHTH-OAHLLOKOSA-N 308.809 2.163 0 40 DEAB O=C(c1ccns1)N1CC2(C[C@H](N3CCCCC3)CS2)C1 2056223752 DHNFVJBAULVSLB-LBPRGKRZSA-N 323.487 2.329 0 40 DEAB O=C(N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1)C1(F)CC1 1565548466 COOKQZGPHGLWTM-OKILXGFUSA-N 306.356 2.218 0 40 DEAB COc1ccc([C@H](O)CNC(=O)/C=C/c2ccoc2)cc1OC 211088372 MOIMWNBTYUKSPX-BOTMBNHJSA-N 317.341 2.160 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)[C@@H]1CCOC1 585147930 IJPJFAWWIDESAL-HUUCEWRRSA-N 301.342 2.133 0 40 DEAB Cc1cc2ncnc(N3C[C@H]4CN(c5ccccn5)C[C@@H]4C3)c2[nH]1 2298086645 MEHHRESACHLUGU-ZIAGYGMSSA-N 320.400 2.234 0 40 DEAB NC(=O)CSc1nnc(CCc2nc3ccccc3s2)o1 49029060 KVHFMHOVSMMQOT-UHFFFAOYSA-N 320.399 2.042 0 40 DEAB NC(=O)c1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1 30512682 CKFUXLAECKQYAQ-UHFFFAOYSA-N 319.320 2.290 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)NCc1ccccc1 104682 QPBVINCLXXUTEA-UHFFFAOYSA-N 307.353 2.021 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2nncn2C)c2ccc(F)cc2n1 69493706 XZTDWYYPAHQQOB-JTQLQIEISA-N 313.336 2.302 0 40 DEAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)Cn1cccnc1=O 69485515 TYDLHUYZJAXRKZ-UHFFFAOYSA-N 311.385 2.130 0 40 DEAB Cc1ccc(C(=O)NCCC(=O)N2CCCc3ccccc32)cn1 40542488 WQEAWMCEEIOKDE-UHFFFAOYSA-N 323.396 2.489 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)NCc2cccs2)cc1 40526565 XXGXMDMLYUAXAL-UHFFFAOYSA-N 310.400 2.473 0 40 DEAB CCOc1ccccc1-c1nccn1C[C@@H]1CN(C)CCN1C 82091436 ZRLMPCUMBZSZTH-HNNXBMFYSA-N 314.433 2.195 0 40 DEAB O=C(O[C@@H]1CN2CCC1CC2)[C@](O)(Cc1ccccc1)C1CC1 1640684 CFCSBBISFREYTC-MJGOQNOKSA-N 315.413 2.008 0 40 DEAB COc1ccc(OC)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 3900956 LUWPAVDRGWNLNI-CJXOWJITSA-N 313.353 2.405 0 40 DEAB NS(=O)(=O)c1ccc(Nc2ncnc3ccccc23)cc1 11859751 YHJYUIRVMVPFOP-UHFFFAOYSA-N 300.343 2.021 0 40 DEAB CCC(C)(C)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102171289 RSBYKOCDKJEFTJ-UHFFFAOYSA-N 305.403 2.141 0 40 DEAB Nc1nc(Cl)cc(N2CCCN(Cc3cccs3)CC2)n1 29619808 PBPHGRKQWUAFFP-UHFFFAOYSA-N 323.853 2.486 0 40 DEAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1ccccn1 29730437 JUMNRICVDYFMKT-GFCCVEGCSA-N 313.357 2.413 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)ccc2Cl)C1 41129218 MXZVOBBLOWEPLP-YEQXMLPJSA-N 313.184 2.340 0 40 DEAB Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 32815975 SOLHGKZIDRCFBX-VIFPVBQESA-N 318.270 2.483 0 40 DEAB Cc1cc(NC(=O)Cn2ncc3ccccc3c2=O)ccc1F 103025503 FMNKIHDRYGHOGP-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB Cn1c(S)nc2cc(C(=O)NCCC(C)(C)C)ccc2c1=O 103155781 ORVCNKFKZSTANV-UHFFFAOYSA-N 319.430 2.388 0 40 DEAB CCCCCCN(C)CC(=O)Nc1cc(C(N)=O)ccc1OC 69772386 KFAXOGPQDRLHNI-UHFFFAOYSA-N 321.421 2.245 0 40 DEAB Cc1nc(CNC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)cs1 42118135 GWNAUSSVHVHMBG-ZDUSSCGKSA-N 321.402 2.115 0 40 DEAB COc1ccc2nc(-n3nc(C)c(C(N)=O)c3C)sc2c1 57351363 KLVXHWRDKQPXHQ-UHFFFAOYSA-N 302.359 2.206 0 40 DEAB Cn1ncc(Br)c1C(=O)Nc1ccccc1C(=O)O 853019 FPJRAVGWEMKZST-UHFFFAOYSA-N 324.134 2.133 0 40 DEAB Nc1nccnc1C(=O)NCCc1ccccc1C(F)(F)F 54196989 LHTPQEIRDLRRMD-UHFFFAOYSA-N 310.279 2.050 0 40 DEAB c1cncc(CN(Cc2cn3cccnc3n2)C[C@H]2CCCO2)c1 89794002 SVZKGKQPOFIYHL-QGZVFWFLSA-N 323.400 2.306 0 40 DEAB O=C(CCCc1ccccn1)N[C@H]1COc2ccccc2C1=O 89857699 NDROFIZNMJLURD-HNNXBMFYSA-N 310.353 2.164 0 40 DEAB C1CO[C@@H]2CCN(C3CCOCC3)C[C@]2(COCC2CC2)C1 107771384 DVHZQLDZPYBQJF-MSOLQXFVSA-N 309.450 2.463 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)Cc1cccs1 55222068 YVCTWVZWONWPRV-AWEZNQCLSA-N 315.398 2.315 0 40 DEAB O=C1N[C@]2(C[C@@H]3CC[C@@H]2N3Cc2ccncc2)Nc2ccccc21 100119514 DISJTXFLJNDMLU-FNHZYXHNSA-N 320.396 2.370 0 40 DEAB CCOC(=O)c1nnsc1NC(=O)Nc1ccc(OC)cc1 1417013 ZSRKKSGXBWZQMB-UHFFFAOYSA-N 322.346 2.367 0 40 DEAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)n1 27655233 RONJBYKSLWZRMM-INIZCTEOSA-N 323.396 2.420 0 40 DEAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc2c1OCCO2 12543012 IHAKZRYGLNMLHS-INIZCTEOSA-N 312.325 2.321 0 40 DEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1 1789669 JNSQTIYAHFVZLZ-UHFFFAOYSA-N 313.762 2.023 0 40 DEAB COC(=O)N1CCC(NC(=O)c2cc3c(s2)CCC3)CC1 57455279 HABRDWJHTKVZFV-UHFFFAOYSA-N 308.403 2.197 0 40 DEAB COC(=O)[C@@H]1CCCCN1Cc1nnc(-c2ccccc2)o1 27561212 DLGIRESBLVREPF-ZDUSSCGKSA-N 301.346 2.264 0 40 DEAB O=C(NC[C@H]1CCCO1)NC[C@H](c1cccs1)N1CCCC1 44892565 ULNYLIVWTBWNRX-ZIAGYGMSSA-N 323.462 2.363 0 40 DEAB C[C@@H](NC[C@@H](O)c1ccc(F)cc1)c1nnc2ccccn12 58341997 RSBYKGOIFKDEII-BXUZGUMPSA-N 300.337 2.253 0 40 DEAB O=C(CCn1cncn1)N(Cc1ccccc1)Cc1ccco1 58406177 PMTCXTQCUGGHJB-UHFFFAOYSA-N 310.357 2.490 0 40 DEAB CCOC(=O)c1cnn(CN2CCOCC2(C)C)c1C(F)F 66448584 SJPLYSQATYGDBG-UHFFFAOYSA-N 317.336 2.066 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)s2)C[C@@H](C)O1 12810673 DWHKUUOBFVGYER-NXEZZACHSA-N 308.403 2.346 0 40 DEAB CCc1cc(=O)[nH]c(-c2ccc(N[C@@H](CO)CC(C)C)nc2)n1 83820250 ODZJKDPPWJYXKT-CQSZACIVSA-N 316.405 2.213 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(F)c1 61718955 JYEDBOYQUWNPAY-YPMHNXCESA-N 319.361 2.440 0 40 DEAB COc1ccc([C@H](CC(=O)O)NC(=O)C2CCC2)cc1OC 13182405 ATFMVZMFJXZRRM-LBPRGKRZSA-N 307.346 2.136 0 40 DEAB CC(C)(C)c1nsc(NC(=O)c2cn3cccnc3n2)n1 69536192 ABFJSNLHCLGOFR-UHFFFAOYSA-N 302.363 2.131 0 40 DEAB CCCN1CC(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 4029711 MUQGCYYORAJABU-SFHVURJKSA-N 311.385 2.020 0 40 DEAB biogenic O=C(COC(=O)c1ccccn1)NCc1cccc(Cl)c1 5059956 RTQWWVRKRAOPGS-UHFFFAOYSA-N 304.733 2.208 0 40 DEAB Cc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1Cl 4392610 OPWQSSRKWOAADX-SNVBAGLBSA-N 301.795 2.412 0 40 DEAB C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(C(N)=O)cc1 6291360 HDSAVWJMBQJSKD-AAEUAGOBSA-N 316.357 2.012 0 40 DEAB CCC(CC)CN(CC)C(=O)Cc1c(C)[nH]c2ccnn2c1=O 65553212 CMLYGOKHYXXDPR-UHFFFAOYSA-N 318.421 2.158 0 40 DEAB CCC[C@H](C)NC(=O)COC(=O)Cc1ccc(OC)c(OC)c1 6424306 YXGDNOALDKZYLU-LBPRGKRZSA-N 323.389 2.094 0 40 DEAB C[C@@H](NCc1cccnc1)c1ccc(NS(C)(=O)=O)cc1 65932814 TWLVYVPWAGXEGQ-GFCCVEGCSA-N 305.403 2.304 0 40 DEAB Cc1cnc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)s1 6888500 PZDVBYGKAYHOIG-SECBINFHSA-N 315.354 2.075 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1ccccc1 69895439 PSZNBBRXHNLRIW-UXLLHSPISA-N 306.365 2.233 0 40 DEAB O=C(NCCCCNc1ccccn1)[C@H]1Cc2ccccc2O1 69816506 SOPFMNMIYPCXQI-MRXNPFEDSA-N 311.385 2.394 0 40 DEAB Cc1ccccc1[C@@H](C(C)C)N(C)C(=O)CSCC(N)=O 71900797 SBZIZIFPTVITNY-MRXNPFEDSA-N 308.447 2.369 0 40 DEAB Cc1noc(C)c1CC(=O)NCCn1c(C(C)C)n[nH]c1=S 75400796 YJCNKGPFMGXECW-UHFFFAOYSA-N 323.422 2.028 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccco1 18208856 PZTCUWGYEQNDAY-NSHDSACASA-N 307.371 2.483 0 40 DEAB CCCCN1CCc2ccc(NC(=O)[C@@H]3COCCO3)cc21 89954719 GNZHWACAIWFIJG-INIZCTEOSA-N 304.390 2.203 0 40 DEAB CNC[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 71143206 CUPXFMSNKHNSSM-VIFPVBQESA-N 315.186 2.270 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)no1 76044028 PHMWWJIMLMZNDF-NSHDSACASA-N 306.391 2.303 0 40 DEAB CCc1c(C)nn(-c2nc(C)cc(C)n2)c1OC(=O)C1CC1 9306000 NJAWDYBNTNXRIC-UHFFFAOYSA-N 300.362 2.465 0 40 DEAB C[C@H](NS(=O)(=O)CCn1cnc2ccccc21)c1ccco1 9470674 AWPRPQIWSAKXAA-LBPRGKRZSA-N 319.386 2.310 0 40 DEAB CCn1cc(NC(=O)c2cccc(OCC(F)(F)F)n2)cn1 96416422 BWAWEHQNUWPXRY-UHFFFAOYSA-N 314.267 2.491 0 40 DEAB COc1ccc(CN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cc1F 96460102 FQHMSVMCOSWZNL-HIFRSBDPSA-N 315.410 2.232 0 40 DEAB CC(C)(C)c1nnnn1CC(=O)N1CCC[C@H]1c1ccsc1 71839274 BLQNRVLFZPMUGW-LBPRGKRZSA-N 319.434 2.396 0 40 DEAB CNc1cc2c(nn1)CCN(C(=O)c1cc3c(s1)CCC3)C2 71860125 MYCAIJOJNONHNE-UHFFFAOYSA-N 314.414 2.267 0 40 DEAB O=C(C[S@](=O)Cc1cccc(C(F)(F)F)c1)NCC1CC1 71858904 HLKRTQNATIADNP-NRFANRHFSA-N 319.348 2.480 0 40 DEAB C[C@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1 71879883 NPNUQCKWLLXSOF-QMMMGPOBSA-N 315.349 2.338 0 40 DEAB Cc1nc2ncnn2c(O)c1NC(=O)c1ccc(Cl)cc1 9878615 TVGXGAMZSJEJIH-UHFFFAOYSA-N 303.709 2.044 0 40 DEAB C1CO[C@H](COCCN2CCC[C@@H]2c2noc(C3CC3)n2)C1 76047522 VKJDWEPOOLGPGQ-UONOGXRCSA-N 307.394 2.280 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)NCc1c(C)cc(C)[nH]c1=O 72278064 IEMHDHFCNQFUHI-UHFFFAOYSA-N 316.405 2.262 0 40 DEAB CC[C@H](NS(=O)(=O)CCOC)c1ccccc1OC(F)F 72294010 DOIZKHXKLZNICT-NSHDSACASA-N 323.361 2.305 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)no1 72280892 HKWUNYKUFGYQQZ-LBPRGKRZSA-N 313.361 2.065 0 40 DEAB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(-n2cncn2)c1 72285738 BFLQPYCNELSUHW-CYBMUJFWSA-N 307.357 2.286 0 40 DEAB COCCN(CC(=O)OC)Cc1sccc1Br 72284580 WUFXDWIJOSOKBZ-UHFFFAOYSA-N 322.224 2.132 0 40 DEAB CC(C)c1ccccc1OCCNC(=O)NCc1ccnn1C 72277810 WIRKQMJBLCCSPB-UHFFFAOYSA-N 316.405 2.422 0 40 DEAB CCCN(C(=O)c1ccn(C)c(=O)c1)[C@H]1C[C@@H](OCC)C1(C)C 72293422 LQPXCSSLMRMFNL-LSDHHAIUSA-N 320.433 2.441 0 40 DEAB CC[C@@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 97086455 LAAUCOPWBIYZBX-VIFPVBQESA-N 315.204 2.435 0 40 DEAB CCCCOc1ccccc1CN1CCN2C(=O)NC[C@@H]2C1 97162173 NQJMJFLFZHZSIR-OAHLLOKOSA-N 303.406 2.075 0 40 DEAB COc1cc(C(=O)Nc2cnn(-c3ncccc3Cl)c2)on1 97108294 HGMHDXPXVWEHGY-UHFFFAOYSA-N 319.708 2.170 0 40 DEAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCCCF 97136147 IJISNGFSBCWZGX-UHFFFAOYSA-N 306.334 2.100 0 40 DEAB Clc1cn[nH]c1-c1nn2c(-c3ccncc3)nnc2s1 72401104 MPZODOOZPMCRRD-UHFFFAOYSA-N 303.738 2.291 0 40 DEAB Nc1ccc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc2n1 84405240 YFFWWNDOWLKHSF-UHFFFAOYSA-N 324.363 2.073 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H]1COc2ccccc21 84544145 NXJDJPABBXBCFJ-MRXNPFEDSA-N 320.348 2.363 0 40 DEAB Cc1cscc1C(=O)N1CCN(C(=O)c2ccncc2)CC1 95433525 HTTBATFPCHKGSR-UHFFFAOYSA-N 315.398 2.050 0 40 DEAB CNS(=O)(=O)c1ccccc1CNc1nc2ccccc2[nH]1 95447148 QYYAZNZYQVCWAV-UHFFFAOYSA-N 316.386 2.083 0 40 DEAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cscn1 95452381 NWKUMADRSSAYLY-NSHDSACASA-N 304.371 2.347 0 40 DEAB O=C(OCCn1cncn1)c1ccc2ccc(Cl)cc2n1 79052995 KBYAWPSKOCFLPN-UHFFFAOYSA-N 302.721 2.337 0 40 DEAB O=C(c1ccncc1)N1CC(n2cc(-c3ccccc3)nn2)C1 95997943 NNTSDPWJRINGFP-UHFFFAOYSA-N 305.341 2.037 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC(N2CCCC2)CC1 95954439 BXDSHUVPAGIDIN-UHFFFAOYSA-N 313.401 2.457 0 40 DEAB C[C@@H](CNC(=O)CCc1ccccc1Br)C(=O)O 95970583 JXCNHAPUMQYADM-VIFPVBQESA-N 314.179 2.219 0 40 DEAB CS(=O)(=O)c1nccn1CCSc1ccccc1F 95988653 LPIKXBVOHDIQDQ-UHFFFAOYSA-N 300.380 2.218 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)c2c(C)noc2n1 89582816 ZVIVCZSUYFWWAQ-JTQLQIEISA-N 303.362 2.479 0 40 DEAB c1ccc(CO[C@@H]2CN(c3ncccn3)Cc3cccn3C2)nc1 306133541 MPABMWDCRLNIMA-KRWDZBQOSA-N 321.384 2.279 0 40 DEAB CC(C)C[C@H]1COCCN1C(=O)NCCc1nc(C(C)C)no1 79306078 CXMUCYKOYBKMHJ-ZDUSSCGKSA-N 324.425 2.192 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 31393872 QSBMPGASBZJLGL-IAQYHMDHSA-N 302.374 2.391 0 40 DEAB CC(C)Oc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@H]2C)cc1 72324825 UTQHYDCGENFTLV-HYVNUMGLSA-N 304.434 2.113 0 40 DEAB COC(=O)CC(=O)C1CCN(C(=O)OCc2ccccc2)CC1 79033422 QPXYTRJWAYSYDM-UHFFFAOYSA-N 319.357 2.167 0 40 DEAB C[C@@H]1Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2NC1=O 71538857 CZIDSHLIBGHCJH-JTQLQIEISA-N 318.354 2.207 0 40 DEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Cl 79763243 SBERBPLYDRNHCX-ZDUSSCGKSA-N 320.751 2.306 0 40 DEAB COCN1C(=O)CCc2cc(NC(=O)c3ccoc3)ccc21 191328763 QVFLEWJPCVAXMG-UHFFFAOYSA-N 300.314 2.415 0 40 DEAB CCN1C[C@H](c2nc([C@H]3CCO[C@@H]3C(C)(C)C)no2)CC1=O 190362713 GQCTVSSZNVKWOC-MDZLAQPJSA-N 307.394 2.324 0 40 DEAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCC[C@@H](C2CC2)C1 195540128 WWTQSGYOEBDFAQ-MRVWCRGKSA-N 316.467 2.078 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 222993833 URZOFGASSGBFMC-UONOGXRCSA-N 302.403 2.029 0 40 DEAB CON(C)C(=O)c1ccc(Br)nc1Br 228941663 CVTIDJCVFYFSRF-UHFFFAOYSA-N 323.972 2.240 0 40 DEAB O=S(=O)(NC[C@@]1(O)C=CCCC1)c1ccc2c(c1)CCCC2 606440468 XHIRMGFINGRRSX-QGZVFWFLSA-N 321.442 2.315 0 40 DEAB Cc1cc(C(=O)Nc2nnn(Cc3ccccc3F)c2C)no1 192367485 YKSOZNSYZSMGIQ-UHFFFAOYSA-N 315.308 2.323 0 40 DEAB O=S(=O)(CC1CCNCC1)c1ccc(Br)cc1 95908549 RZFVWYLHZUKLGM-UHFFFAOYSA-N 318.236 2.222 0 40 DEAB CO[C@H]1CCN(Cc2nccs2)[C@@H]2CN(CC3CC3)C[C@H]12 96109432 JRQJFHZVWNASAR-ZNMIVQPWSA-N 307.463 2.074 0 40 DEAB Cc1ncsc1CCC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 576207349 PJJWYBFCZUWYKG-WBMJQRKESA-N 324.446 2.181 0 40 DEAB OC[C@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 95433511 ZCLYVVLYFOZDRE-GXTWGEPZSA-N 317.351 2.313 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 95407027 HAYFPHAYJOVRNT-UONOGXRCSA-N 311.809 2.034 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCc1ccncc1 96461724 PRQFXUMCEMBXBF-GJZGRUSLSA-N 304.390 2.252 0 40 DEAB O=C(CCn1cncn1)NCCc1c[nH]c2ccc(Cl)cc12 96431371 QEYSVLFSRZYHHV-UHFFFAOYSA-N 317.780 2.162 0 40 DEAB CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1ccccc1F 96451710 YKKWCRNQKNOXRQ-ZDUSSCGKSA-N 318.348 2.112 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(C)s1)CC2=O 95117796 NLRAPGZBSJBZGT-SECBINFHSA-N 317.366 2.444 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@H]2CCC(=O)N(C)C2)c(C)c1 96415345 OFAVWCPQQHMKQT-AWEZNQCLSA-N 303.406 2.032 0 40 DEAB CCCS(=O)(=O)NC1CCN(Cc2ccc(CC)o2)CC1 96489685 VLYVJYATHFBDQR-UHFFFAOYSA-N 314.451 2.136 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)[nH]c2=O)C1(CC)CC 96454645 VGPHWKKGOGRYKY-UONOGXRCSA-N 306.406 2.397 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1cc(OC)ccn1 247924184 YTMIUWIGVHFPAX-MAZHCROVSA-N 304.390 2.396 0 40 DEAB O=C(CCn1nnc2ccccc21)N1CCCC[C@@H]1c1ccn[nH]1 257259686 KZNBQUMRKNZSFS-OAHLLOKOSA-N 324.388 2.298 0 40 DEAB Cc1cc2nc(C3CCN(C(=O)c4cnco4)CC3)ccn2n1 257254485 KDGHBTULIJTAHW-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCC[C@H]1c1ccnc(O)n1 257294141 QSSUPUIOSGAAIR-LBPRGKRZSA-N 314.345 2.026 0 40 DEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)cnn1C(C)C 262871699 GDZPRTGXWYBEDM-OUCADQQQSA-N 305.378 2.098 0 40 DEAB Cc1nc(-c2ccccc2)sc1CNC(=O)c1c[nH]c(=O)[nH]1 96342228 ZBBXKWGEZSGZLF-UHFFFAOYSA-N 314.370 2.065 0 40 DEAB O[C@@H]1[C@@H](NCCCn2cccn2)CCC[C@H]1Oc1ccccc1 585288615 FQSMMGKLSSZQMX-RCCFBDPRSA-N 315.417 2.224 0 40 DEAB Cc1noc(Cl)c1CC(=O)Nc1ccc(-n2cncn2)cc1 58392978 SYDGMTGBIXSZKG-UHFFFAOYSA-N 317.736 2.398 0 40 DEAB CC(C)c1noc([C@H](C)Sc2nnnn2C2CCOCC2)n1 69810679 BSOHEXNMCCLWHA-VIFPVBQESA-N 324.410 2.384 0 40 DEAB CCONC(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 73084003 FEXGVGFWUVZIGF-NSHDSACASA-N 309.757 2.012 0 40 DEAB Cc1cncc(C(=O)Nc2cn(C)cc(Br)c2=O)c1 96005867 YRVPAZNQUXDJGQ-UHFFFAOYSA-N 322.162 2.104 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC(Oc2ncc(F)cn2)CC1 1228850234 VEBVIIRLRCLNLS-UHFFFAOYSA-N 319.311 2.438 0 40 DEAB Cn1nc(-c2ccccn2)cc1CNC(=O)Cc1cccs1 1775966511 IUQFLUSPLWAUPY-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB CCCNC(=O)CSc1nnc(-c2ccccc2OC)n1C 5130757 FTVKGKKPZRGRKL-UHFFFAOYSA-N 320.418 2.109 0 40 DEAB Cc1ccc(C(=O)NC(C)C)cc1N1CCCCS1(=O)=O 5439653 MFXDVTLHIQMJBW-UHFFFAOYSA-N 310.419 2.063 0 40 DEAB COCC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 19592805 ZFINPAIIDHKRGT-JTQLQIEISA-N 307.375 2.151 0 40 DEAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(F)c(Br)c1 169196636 BOVXFABWJBXKKS-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB CCN1CCN(CCOc2ccc(Br)cc2)CC1 42205874 JMFWUNDKHQUVTE-UHFFFAOYSA-N 313.239 2.465 0 40 DEAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1(C(=O)O)CC1 154840412 USWRXRSPUKSQMJ-UHFFFAOYSA-N 318.373 2.184 0 40 DEAB CCN1CCN([C@@H](c2nnnn2C(C)(C)CC)C(C)C)CC1 35310853 KOSBACJHLCQKHD-CQSZACIVSA-N 308.474 2.153 0 40 DEAB O=C(NCc1cnn2c1CCCC2)c1noc2c1CCCC2 225611284 REFXNBQPZAQOQU-UHFFFAOYSA-N 300.362 2.016 0 40 DEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(C(=O)C(C)C)C3)nc1 1888856761 CXLJQAAIKPKEKF-RHSMWYFYSA-N 303.406 2.449 0 40 DEAB CN(CCCN(C)C(=O)c1ccccc1F)C(=O)c1cocn1 1066673339 CBVZKOHDBBMJCR-UHFFFAOYSA-N 319.336 2.048 0 40 DEAB COc1ccc(C(=O)N2CCC(Oc3ccncc3)CC2)cn1 245015170 LOVYDRMOFPSIFE-UHFFFAOYSA-N 313.357 2.169 0 40 DEAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)NCCO2 9171889 ZNSCHTKODDZHBM-UHFFFAOYSA-N 312.325 2.070 0 40 DEAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)NCc1ccccc1 10256326 LSZOMBPDTBKFNT-QGZVFWFLSA-N 323.396 2.464 0 40 DEAB NC[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 50247805 PQERABFAXFRRHG-VIFPVBQESA-N 302.205 2.213 0 40 DEAB C[C@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)C[C@@H](C)O1 30807185 JDGOLJLEZSKVLG-TXEJJXNPSA-N 317.414 2.383 0 40 DEAB COC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccccc1Cl 31375939 CIDXXLWVCKYCDP-OLZOCXBDSA-N 311.765 2.239 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C[C@@H](C)O1 28654555 LDAPYMAKVFEGNH-PHIMTYICSA-N 320.414 2.370 0 40 DEAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc[n+]1[O-] 58983546 VPNNBEQJTNFUTL-HNNXBMFYSA-N 312.369 2.176 0 40 DEAB CC(C)(C)NC[C@@H](CN1CCOCC1)C(=O)c1ccccc1 1581613 GXARQECPYTZJAV-INIZCTEOSA-N 304.434 2.206 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 7405412 HWUWXMURCVFAIJ-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100395121 HGGBDSRGLYPJOH-KPLDXPABSA-N 308.381 2.418 0 40 DEAB CN1C(=O)[C@H]2[C@@H](c3ccccc3)N(c3ccccc3)O[C@H]2C1=O 101996583 JJOJNMDLZMOZAF-ARFHVFGLSA-N 308.337 2.163 0 40 DEAB CN(C(=O)Nc1ccc(Cl)cc1)C1CCS(=O)(=O)CC1 59916552 YDXRSXOGTVORIW-UHFFFAOYSA-N 316.810 2.381 0 40 DEAB O=c1cc(-c2ccco2)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c12 8021181 YRMIMDSCPLFEIP-UHFFFAOYSA-N 311.272 2.406 0 40 DEAB Cc1ccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)cc1 8558303 YNUJLVWUGOLRRL-UHFFFAOYSA-N 312.435 2.066 0 40 DEAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)NC3=O)c(C)c1 469975 OOZCCFQXEHLXMJ-UHFFFAOYSA-N 324.336 2.205 0 40 DEAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1c(F)cccc1Cl 46107842 LQXOZKHFNRQQAD-MRVPVSSYSA-N 319.785 2.061 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)c1nc(C(C)C)no1 46174009 XFPIPYJMTGRCCV-SNVBAGLBSA-N 313.379 2.474 0 40 DEAB NNc1nc2ccccc2c(=O)n1Nc1nc2ccccc2s1 10494070 KSRSVOVFAICTQT-UHFFFAOYSA-N 324.369 2.167 0 40 DEAB OCCCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 52723604 JWKJBJCFGVFVHB-UHFFFAOYSA-N 302.340 2.205 0 40 DEAB Cc1ccc(OCc2nc(C(=O)Nc3nc[nH]n3)cs2)cc1 23141592 YUSSLNARDDLCSC-UHFFFAOYSA-N 315.358 2.401 0 40 DEAB CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@@H](CN)C1 12359104 KMWBSXFVUCPBFD-GFCCVEGCSA-N 302.415 2.114 0 40 DEAB Cc1ccc(Cn2[nH]cc/c2=N\C(=O)Cc2c(C)noc2C)o1 105595305 DGQOSNVXAMKKRK-OBGWFSINSA-N 314.345 2.041 0 40 DEAB O=C(N[C@H]1CCCc2ccccc21)c1cccnc1-n1cncn1 24430608 CMOJNYGALAGHMG-INIZCTEOSA-N 319.368 2.470 0 40 DEAB O=C(CCNC(=O)c1cccc2cc[nH]c12)Nc1ccncc1 76065637 MDIAYVYASXZYIS-UHFFFAOYSA-N 308.341 2.322 0 40 DEAB CCc1cc(NC(=O)N2CCC(OCC3CC3)CC2)n(C)n1 76070458 XGQWVXCYPNAHFG-UHFFFAOYSA-N 306.410 2.405 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cccn1C 76042801 YHSJBVZLBGMOIB-PBHICJAKSA-N 302.422 2.243 0 40 DEAB COc1cc(/C=C/C(=O)NCCCC(=O)O)ccc1OC(C)C 62714696 UNJNQQTXIREEQJ-VQHVLOKHSA-N 321.373 2.477 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(C[C@@H](O)c1ccccc1)C1CC1 108356233 NPSCZLNPHJZXKG-YYIAUSFCSA-N 316.401 2.214 0 40 DEAB Cc1cc(C(=O)OCc2ccco2)ccc1N1CCNC1=O 58305502 OERXMVDASSRAIT-UHFFFAOYSA-N 300.314 2.475 0 40 DEAB O=C(CSc1cccc[n+]1[O-])NCc1cc2ccccc2[nH]1 58357430 RWUXMONCUQMESL-UHFFFAOYSA-N 313.382 2.210 0 40 DEAB CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)NC(C)C)cc1 12521746 WHTWBIHAYLQPIU-CYBMUJFWSA-N 305.422 2.494 0 40 DEAB CCC(C)(C)NS(=O)(=O)c1cc(OC)c(OC)cc1F 27939509 KBKYSDODMMUPPO-UHFFFAOYSA-N 305.371 2.310 0 40 DEAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1CC(=O)OC(C)(C)C 58430273 RKAWYKWBBRPMJS-AAEUAGOBSA-N 304.390 2.196 0 40 DEAB COc1cccc(-c2nc(NCCO)c3ccccc3n2)c1O 2385977 WMVVTQBOTOHEKN-UHFFFAOYSA-N 311.341 2.415 0 40 DEAB O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCc1ccccc1 58709183 OOMNXLOQSAJWPX-UHFFFAOYSA-N 321.380 2.257 0 40 DEAB O=C(CCN1CCCC[C@@H]1CCO)N1CCc2ccccc21 69249643 QQDSIIRTOXYZRO-MRXNPFEDSA-N 302.418 2.203 0 40 DEAB O=C(NC[C@@H]1CCOC1)N1CCCN(Cc2cccs2)CC1 48367433 UWRWTQIPWYNJPC-AWEZNQCLSA-N 323.462 2.002 0 40 DEAB O=C(c1cnn(-c2ncccn2)c1)c1cc(Cl)ccc1O 48302800 DTEKHWPTGPAVNR-UHFFFAOYSA-N 300.705 2.252 0 40 DEAB COC(=O)[C@@H](NC(=O)COC1CCCCC1)c1ccccc1 69451785 PAMAJIUNTUNJHA-INIZCTEOSA-N 305.374 2.366 0 40 DEAB O=C(CCn1ccnn1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 69537200 VRSJEASVHFIVFS-AAEUAGOBSA-N 324.306 2.359 0 40 DEAB Cc1[nH]ncc1CCCNC(=O)N[C@@H]1CCOc2ccccc21 65440896 PMJKOUJVFJAAOA-OAHLLOKOSA-N 314.389 2.474 0 40 DEAB Cc1nnc(SCC(=O)NC(=O)OCc2ccccc2)s1 14016935 ZHHMHRQSJQHEMR-UHFFFAOYSA-N 323.399 2.392 0 40 DEAB Cc1ccc(C)n1-c1c(C(=O)NCCc2cccnc2)cnn1C 65520127 GFAWGHBTWXUARW-UHFFFAOYSA-N 323.400 2.195 0 40 DEAB COc1ccnc(N2CCN(Cc3ccc(Cl)cc3)CC2)n1 14136047 YUWLWPGFZMDHCJ-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB CC(C)n1cnnc1SCCN1C(=O)c2ccccc2C1=O 5417438 SMFDGZDTXJCZRU-UHFFFAOYSA-N 316.386 2.247 0 40 DEAB CCn1ncc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1C 6634211 DOIJAWZOADSSFE-UHFFFAOYSA-N 323.462 2.459 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)[C@H]2CCCN(C(N)=O)C2)c(C)c1 66445701 SQGJQPRKDQIAPS-HOCLYGCPSA-N 317.433 2.141 0 40 DEAB CC(C)n1c(CNC(=O)c2n[nH]c3ccccc23)n[nH]c1=S 66640041 OGQHZEZSVPZUTL-UHFFFAOYSA-N 316.390 2.328 0 40 DEAB CC(=O)Nc1ccc2c(COC(=O)[C@H]3C[C@H]3C)cc(=O)oc2c1 6946773 BBFVQPHUXGCYDQ-OTYXRUKQSA-N 315.325 2.451 0 40 DEAB Cc1ccc([C@@H](OC[C@H](O)CNCCO)c2ccccc2)cc1 6936164 AFNARYZLVYNTOL-MOPGFXCFSA-N 315.413 2.044 0 40 DEAB O=C(COC(=O)c1ccco1)c1ccc2c(c1)OCCCO2 7197465 QSMYGLJLKBVYIM-UHFFFAOYSA-N 302.282 2.481 0 40 DEAB COc1ccc(CCC(=O)OCC(=O)N[C@H](C)C(C)C)cc1 7201370 LECYQIXJGYTUFP-CYBMUJFWSA-N 307.390 2.332 0 40 DEAB COc1cccc(NC(=O)CSc2nc(C)cc(N)n2)c1 8735440 MXPKEQBIOSRUDZ-UHFFFAOYSA-N 304.375 2.107 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)/C=C/c1nc2ccccc2s1)C(N)=O 70698347 KTNUNGMHYHVBKD-AZZDBCTDSA-N 317.414 2.326 0 40 DEAB CCc1n[nH]c([C@H]2CN(C(=O)c3cc(C)sc3C)CCO2)n1 83829987 QOJBHZCJKXJUMT-GFCCVEGCSA-N 320.418 2.259 0 40 DEAB CC(=O)c1c(F)cccc1N1CCC[C@H](N2CCNC2=O)C1 78726093 HPZYBPCIUURCBH-LBPRGKRZSA-N 305.353 2.022 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H]2CSc3nc(C)nn32)cc1 9614809 GCSQWDHRRLMRIO-NSHDSACASA-N 309.416 2.016 0 40 DEAB C[C@@H](C(=O)N1CCN(CC2CC2)CC1)n1cnc2ccccc21 71829918 IMFRFIAQSKHTBN-AWEZNQCLSA-N 312.417 2.152 0 40 DEAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 71888304 LXGSKYVCZXYJPA-NXEZZACHSA-N 318.764 2.213 0 40 DEAB CC(C)OCCCNC(=O)C[S@@](=O)Cc1ccccc1F 71858946 CAUHBDAXAGRYLK-OAQYLSRUSA-N 315.410 2.006 0 40 DEAB O=[N+]([O-])c1cc(F)ccc1NCC/N=C(\O)c1ncccc1O 71893776 NHEMXLNPOOJSLA-UHFFFAOYSA-N 320.280 2.251 0 40 DEAB Cc1cc(C)cc(OCC(=O)Nc2sccc2C(N)=O)c1 9723223 MCFZTYKBULSJNK-UHFFFAOYSA-N 304.371 2.481 0 40 DEAB CCCN(C(=O)c1ccc(=O)n(C)c1)[C@@H]1C[C@H](OCC)C1(C)C 78869542 UIRALHHUYWTMOY-CABCVRRESA-N 320.433 2.441 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)CC(F)F)C2=O)c1 78993243 UDBDJAAFIRXEEB-ZDUSSCGKSA-N 314.332 2.006 0 40 DEAB Cn1cc(S(=O)(=O)Oc2cccc3cccnc23)nc1Cl 79108286 DJCLJZNHDGHCAX-UHFFFAOYSA-N 323.761 2.389 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)NCC1(N(C)C)CCCCC1 72273120 MSQMUDGPZLRIIK-MDZDMXLPSA-N 318.465 2.431 0 40 DEAB Cc1ccc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c(F)c1 97163978 JGTHIZCXOMSSJC-ZDUSSCGKSA-N 305.309 2.039 0 40 DEAB CCCc1ccc(S(=O)(=O)NC2(C(N)=O)CCCCC2)cc1 72313030 HFCDURIWQIJIIZ-UHFFFAOYSA-N 324.446 2.106 0 40 DEAB COC[C@H]1CCCN1S(=O)(=O)c1cc(C)c(F)cc1F 84675236 VKOLCEGYOFPSHW-SNVBAGLBSA-N 305.346 2.073 0 40 DEAB Cc1ccc(-c2noc([C@@H](C)SC[C@H](O)CO)n2)cc1F 95407583 PNDBQOYMTBOAGO-MWLCHTKSSA-N 312.366 2.332 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc[nH]1 95449709 RUADMYANGMFTHW-ZDUSSCGKSA-N 321.739 2.343 0 40 DEAB CC(C)CC1(C(=O)N2CCN(C(=O)N(C)C)CC2)CCCC1 95964738 IPVCSSAGCTVQAZ-UHFFFAOYSA-N 309.454 2.419 0 40 DEAB COc1ccc(NC(=O)N(C)C2(CCO)CCOCC2)cc1 95996715 CWCCFSUKBOBPBR-UHFFFAOYSA-N 308.378 2.091 0 40 DEAB COc1ccc([C@H](CO)N(C)C(=O)N[C@H]2C=CCCC2)cc1 95978907 PCQFVZRBTFDMJN-HOCLYGCPSA-N 304.390 2.479 0 40 DEAB Cc1ccc(O[C@H](C)CNC(=O)N2CCC(CO)CC2)cc1 74783871 RCANKQZTQSYWAK-CQSZACIVSA-N 306.406 2.176 0 40 DEAB C[C@@H](CC(=O)N[C@@H]1CCN(C(N)=O)C1)Cc1ccc(Cl)cc1 89242258 ITFJBXTYQYTTKK-BXUZGUMPSA-N 323.824 2.178 0 40 DEAB CC[C@H](C)S(=O)(=O)NCc1ccc(-n2nc(C)cc2C)nc1 75106903 SYIJPPXBZLXBIC-ZDUSSCGKSA-N 322.434 2.102 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306137909 RJVGTLKKKDKSQQ-INIZCTEOSA-N 318.417 2.406 0 40 DEAB NC(=O)C1CCN(c2ncc(-c3ccncc3)c(C3CC3)n2)CC1 72340324 BAVONYZSIRCIJI-UHFFFAOYSA-N 323.400 2.118 0 40 DEAB CC1=C[C@@]2(Nc3cc(C(C)(C)C)ccc3O2)C(C(N)=O)=C(N)O1 40545362 RPCWLLPPBDYLDA-KRWDZBQOSA-N 315.373 2.074 0 40 DEAB Cc1ccc(C(=O)OC[C@H]2CCC(=O)N2)cc1Br 80120336 YCNWXXURZQEQMK-SNVBAGLBSA-N 312.163 2.193 0 40 DEAB O=C1C[C@H](NC(=O)C2(Cc3cccs3)CCCCC2)CN1 569863936 GSNRFGWYBBSNLL-LBPRGKRZSA-N 306.431 2.246 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 138259171 DHOGJTUTMFDBHP-YUELXQCFSA-N 323.414 2.081 0 40 DEAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(N)=O)cc1 225687989 ZAXQREWLJNQDTM-KRWDZBQOSA-N 322.405 2.331 0 40 DEAB O=C(NCc1cnn2ccccc12)C(=O)c1c[nH]c2ccccc12 75162793 AFWPWLUUSOKROT-UHFFFAOYSA-N 318.336 2.315 0 40 DEAB O=C(OCCc1cnccn1)c1c[nH]nc1-c1ccc(F)cc1 195565742 GVIKBFRMJNRNPX-UHFFFAOYSA-N 312.304 2.405 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@](C)(C(=O)O)c1ccccc1 193091152 ZYADZLXKIJVVTI-MRXNPFEDSA-N 302.330 2.064 0 40 DEAB Cn1cnc2c1[C@H](COCC1CCOCC1)CN(C1CCC1)C2 96045016 FJIUFWDNCKVGOV-HNNXBMFYSA-N 319.449 2.315 0 40 DEAB CCc1ccc(CN2CCc3ncc(CN(C)C)n3CC2)o1 96196779 OPKPRXGYPVHTBE-UHFFFAOYSA-N 302.422 2.158 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)n1 96042725 DBINXOKOOFOKKE-QJPTWQEYSA-N 306.391 2.187 0 40 DEAB CS(=O)(=O)CC1(CNCc2cccc3cccnc23)CC1 96449368 TXWJFIKNWCQJPS-UHFFFAOYSA-N 304.415 2.149 0 40 DEAB COC(=O)c1ccc(Cl)c(CN2CCCC[C@@H]2CC(N)=O)c1 97237247 CGDVWBYMGRPHKP-CYBMUJFWSA-N 324.808 2.357 0 40 DEAB Clc1cccc(CSc2nnnn2C[C@H]2CCCO2)n1 96435639 YSZLTOHXFWJPCY-SNVBAGLBSA-N 311.798 2.193 0 40 DEAB COC(=O)Cn1ccc(N[C@H](C)c2nc3ccccc3o2)n1 97103831 XJYDGFYGCPWIDH-SNVBAGLBSA-N 300.318 2.370 0 40 DEAB O[C@@H]1CCCOC12CCN(CCOc1ccc(F)cc1)CC2 257201429 AHRAPAWICKILSP-MRXNPFEDSA-N 309.381 2.210 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)c3csc(C)n3)CC2)CN1C 585103533 JCABMFBMTKPCHW-CYBMUJFWSA-N 323.462 2.024 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 44402334 PJQXYSMVVUNZNQ-QGZVFWFLSA-N 300.402 2.187 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)c2ccc(F)cc2n1 56977290 NLNBDGIEAQQUPV-CQSZACIVSA-N 315.348 2.081 0 40 DEAB NC(=O)c1ccc(C(=O)N(Cc2ccco2)C2CCCC2)nc1 58356250 ZCXFRKRKMRIYNN-UHFFFAOYSA-N 313.357 2.359 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 69709304 MCEGAEJPFCSHRL-IAGOWNOFSA-N 318.461 2.170 0 40 DEAB Cc1ccnc(N2CCN(c3ncnc4ccsc34)CC2)n1 78335732 MEMQJWQXPRAYAK-UHFFFAOYSA-N 312.402 2.116 0 40 DEAB O=C(CN1CCc2ccc(Cl)cc2C1)Nc1nncs1 90615633 DBACXAXNIZHZNZ-UHFFFAOYSA-N 308.794 2.188 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1Br 195542628 IIWRBOGXUULDNB-NSHDSACASA-N 312.163 2.067 0 40 DEAB COc1ccccc1CNC(=O)Cc1ccc2c(c1)OCCO2 5459232 NCEAXSIDYPRDJI-UHFFFAOYSA-N 313.353 2.325 0 40 DEAB COc1cccc(OC)c1OC[C@@H](O)CN1C[C@H](C)C[C@@H](C)C1 12170285 APTCTONTNWIXCI-KFWWJZLASA-N 323.433 2.421 0 40 DEAB C[C@H]1CN(C(=O)CCNC(=O)c2ccccc2Cl)C[C@@H](C)O1 12976828 JITHTDQUCXUBTP-TXEJJXNPSA-N 324.808 2.096 0 40 DEAB COc1ccc(OC(=O)CCn2cnc3ccccc3c2=O)cc1 14682900 DGXSOYURYBKYMJ-UHFFFAOYSA-N 324.336 2.401 0 40 DEAB O=C1CCCN1c1cccc(NC(=S)NC[C@H]2CCCO2)c1 18167987 NJCDZYZLNRTGAO-CQSZACIVSA-N 319.430 2.279 0 40 DEAB c1ccc(N2CCN(Cc3nnnn3C3CCCC3)CC2)cc1 35310712 LSJKWBKMQVFDGW-UHFFFAOYSA-N 312.421 2.110 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 26781662 VRBMFTHOXXVRCP-GRDNDAEWSA-N 320.433 2.363 0 40 DEAB Cc1cccc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)n1 30557403 QYMQYXKEXGQNHT-UHFFFAOYSA-N 316.386 2.376 0 40 DEAB COc1ccc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)cc1OC 129441 IRCHRSIWMOHCBG-NTUHNPAUSA-N 313.309 2.369 0 40 DEAB biogenic COC[C@](C)(CNC(=O)CSc1ccc(F)cc1)OC 618255616 UITQNLLEKBYNHC-AWEZNQCLSA-N 301.383 2.086 0 40 DEAB COc1cc(OC)c(OC)cc1CNC(=O)NC1CCCC1 40477794 QXYBBWSUMQVXMX-UHFFFAOYSA-N 308.378 2.454 0 40 DEAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cccnc1 526469 AUTLIANSOAKDMS-UHFFFAOYSA-N 302.315 2.455 0 40 DEAB CCc1ccc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)cc1 785461 GCUUBEQOGPLEKZ-UHFFFAOYSA-N 324.446 2.028 0 40 DEAB CC(C)(C)NC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 819434 HYMAFTXNLMQNBT-HNNXBMFYSA-N 312.369 2.187 0 40 DEAB Cc1ccc2ncn(CC(=O)N(C)Cc3ccccc3)c(=O)c2c1 40538899 ONHACDZNRMLQMP-UHFFFAOYSA-N 321.380 2.364 0 40 DEAB COC[C@@H](C)NC(=O)CCCc1nnc(-c2ccccc2)o1 32481350 LUSDUFGXSFURBN-GFCCVEGCSA-N 303.362 2.210 0 40 DEAB COC(=O)[C@H]1CN(C)CC[C@]1(C)OC(=O)Oc1ccccc1 345614 DGPKGLHMCMOPGO-CJNGLKHVSA-N 307.346 2.085 0 40 DEAB CCc1ccc(-n2nc(CO)c(C(=O)NCCC(C)C)n2)cc1 21173020 YEQMITHMWVLCJL-UHFFFAOYSA-N 316.405 2.098 0 40 DEAB COCCn1cc(NC(=O)[C@]2(C)CC2(Cl)Cl)ccc1=O 46200542 YAFKCZZXZSQUGV-LBPRGKRZSA-N 319.188 2.017 0 40 DEAB COc1ccc([C@@H](Cc2ccccc2)NCCNCCO)cc1 22873618 FNQYSEMHLJQCMG-LJQANCHMSA-N 314.429 2.151 0 40 DEAB COc1ccc(CCNC(=O)[C@@H](NC(C)=O)C2CCCC2)cc1 53463372 VODWNEOWNWOMBW-KRWDZBQOSA-N 318.417 2.049 0 40 DEAB CCc1ccc(OCC(=O)NCc2ccnc(OC)c2)cc1 12522072 MRTSQMMUYKXLJX-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB CCNC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 3299515 ILPHZQVCIBKIMJ-UHFFFAOYSA-N 300.145 2.452 0 40 DEAB C[C@H](NC(=O)CN1CCC(O)CC1)c1cccc2ccccc12 26859425 WXHJTWIZPFVZGW-AWEZNQCLSA-N 312.413 2.474 0 40 DEAB O=C(C[C@H]1C(=O)OC[C@@H]2CCCCN21)Nc1cccc(Cl)c1 58160213 DHQZLYXYTVGLLU-KBPBESRZSA-N 322.792 2.449 0 40 DEAB CC(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1 58231736 XOCXADQXRXYNHP-AWEZNQCLSA-N 316.323 2.215 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)Cn2cccn2)on1 44969748 DSCJJTOIHDEAEY-QWHCGFSZSA-N 303.366 2.115 0 40 DEAB CCn1cnnc1CNC(=O)C1=Cc2cc(Cl)ccc2OC1 44942422 BHOQZFSVYFOAAE-UHFFFAOYSA-N 318.764 2.044 0 40 DEAB COc1nc(C(=O)N2CCOC(C)(C)C2)cc2ccccc12 58358037 SFWMJYJWOFSLET-UHFFFAOYSA-N 300.358 2.494 0 40 DEAB Cc1ccc(O)c(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 58392245 VELMPHPIQXYHCD-NSHDSACASA-N 316.323 2.315 0 40 DEAB COc1ccc([C@@H](C)NC[C@H]2CNc3ccnn3C2)cc1F 58305875 MLHUHLFIVJIQHV-NEPJUHHUSA-N 304.369 2.423 0 40 DEAB CCc1c(C(=O)NO[C@H]2CCCCO2)cnn1-c1ccccn1 58424127 GLUHGPRQYYMQPR-HNNXBMFYSA-N 316.361 2.018 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)NCc2cc[nH]n2)cc1 48291115 LXANOBXQPPFMSP-HNNXBMFYSA-N 300.362 2.465 0 40 DEAB CN(C)C1(CNC(=O)[C@@H]2COc3ccccc3O2)CCCCC1 3415425 YDHWELICILYQRW-INIZCTEOSA-N 318.417 2.207 0 40 DEAB Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCCC3)cc12 5185066 IOIKVHZLPIOZFP-UHFFFAOYSA-N 309.343 2.224 0 40 DEAB O=C(CNC(=O)C1CC1)Nc1ccc(F)c(-n2cccc2)c1 69518782 OQYOVLVEWZWLRJ-UHFFFAOYSA-N 301.321 2.081 0 40 DEAB CCc1noc([C@@H](C)N2CCN([C@@H](C)c3cccnc3)CC2)n1 69535616 UVAHQTZMRNKWBN-UONOGXRCSA-N 315.421 2.467 0 40 DEAB Cc1nc(C(=O)NCc2ccco2)nn1-c1ccc(F)cc1 14140505 WLCUKGUGVLSHRQ-UHFFFAOYSA-N 300.293 2.238 0 40 DEAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 4575050 JXNYNXHBEAJSTN-MRVPVSSYSA-N 318.185 2.488 0 40 DEAB O=C(OCc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 6590197 JXLWROOFKLUXLU-AWEZNQCLSA-N 304.367 2.318 0 40 DEAB CCOC(=O)CCN(Cc1cccnc1)C(=O)CC(F)(F)F 65856550 OCKOQSOLJZITKE-UHFFFAOYSA-N 318.295 2.316 0 40 DEAB COc1ccc(-c2noc(CCC(=O)NCC(C)C)n2)cc1 5528806 DFEUHZFBSUOJHI-UHFFFAOYSA-N 303.362 2.450 0 40 DEAB NC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(F)cc2)c1 14600248 DEFNGRFUIOAPPV-UHFFFAOYSA-N 316.288 2.356 0 40 DEAB O=C(OCC(=O)N1CCOCC1)c1cccc(Cl)c1Cl 5752442 IJLKBJNZOOVINN-UHFFFAOYSA-N 318.156 2.009 0 40 DEAB C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCCC1 7222093 NPFGXOTVTHKJEL-HNNXBMFYSA-N 317.433 2.336 0 40 DEAB O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccccn1 68143634 VNAKACPWDYREEH-INIZCTEOSA-N 310.353 2.430 0 40 DEAB O=c1nc(NC[C@@H]2CCCO2)[nH]nc1Cc1ccc(Cl)cc1 9165579 VMHJKWOWJLSXOH-LBPRGKRZSA-N 320.780 2.000 0 40 DEAB O=C(N1CCCC1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 306127835 GISKZTATLUUJFK-CQSZACIVSA-N 319.430 2.236 0 40 DEAB O=C(COC[C@@H]1CCCO1)N1CC[C@@H](c2cccc(F)c2)C1 71856940 NRGGAYVVAIRUAG-ZBFHGGJFSA-N 307.365 2.337 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)no1 71829585 YANKAAKSYAJQOS-YPMHNXCESA-N 313.357 2.068 0 40 DEAB O=C(CC[C@H]1CCCO1)NCC1(N2CCCCC2)CCOCC1 71893345 YDOJWXWSUQAVBZ-MRXNPFEDSA-N 324.465 2.097 0 40 DEAB O=C(N1CCCC1)N1Cc2ccnn2[C@H](CCOCC2CC2)C1 306132918 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VHPDWXPEZCTJCB-MGPQQGTHSA-N 310.463 2.295 0 40 DEAB Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2O)n1C 35670669 FLZKRHUCYKVGDF-UHFFFAOYSA-N 312.782 2.213 0 40 DEAB COc1ccc2c(c1)C(=O)N[C@@H]2CC(=O)NCc1cccs1 35289234 BCOVRYJJVRBETH-CQSZACIVSA-N 316.382 2.248 0 40 DEAB CSCC(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 32776599 NLFCQTCXPPZJQI-UHFFFAOYSA-N 306.309 2.280 0 40 DEAB Cc1cc(C(=O)N2CCC(C)CC2)nc(C2CCN(C)CC2)n1 72365891 BWERORMBXSUYEB-UHFFFAOYSA-N 316.449 2.466 0 40 DEAB Cn1cncc1-c1nnc([C@H]2CCN(Cc3ccccc3)C2)o1 49170438 CHZJMLLIDDWWRU-AWEZNQCLSA-N 309.373 2.460 0 40 DEAB biogenic,in-vitro C[C@H]1C[C@H](C(=O)O)CN(C(=O)Cc2ccc3c(c2)CCCO3)C1 567878604 BUVRZEOLFUOSEH-WFASDCNBSA-N 317.385 2.123 0 40 DEAB CCOC(=O)Cc1nc(-n2cccc2)sc1C(=O)OCC 45922764 LVUKGODXUOEACK-UHFFFAOYSA-N 308.359 2.216 0 40 DEAB CC[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc(C)cc1 226548447 HHEWVUNZFLVXSN-RBZJEDDUSA-N 315.369 2.217 0 40 DEAB COC(=O)[C@@H](CNC(=O)c1oc(C)nc1C)c1ccc(F)cc1 192757058 VPUPMSSFCWIQQS-ZDUSSCGKSA-N 320.320 2.117 0 40 DEAB CN1CC[C@@H](Nc2ccc(F)cc2OCC(F)(F)F)C1=O 81158447 NWYHSEXHXTZGFK-SNVBAGLBSA-N 306.259 2.409 0 40 DEAB O=C1C[C@@H](Cc2ccc(F)cc2)C(=O)N1CC1(O)CCCC1 328999712 KVXOCGIQIAAERO-CYBMUJFWSA-N 305.349 2.048 0 40 DEAB O=C(Cc1ccc(F)cc1)Nc1cnc(N2CCCC2)nc1 224248065 BOGREUOBTDZNES-UHFFFAOYSA-N 300.337 2.397 0 40 DEAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc(N)c2)cc1 225399148 DZWPRRCOMDUGQJ-LBPRGKRZSA-N 300.358 2.361 0 40 DEAB CCn1cc([C@H]2CN(Cc3ccc(O)c(OC)c3)CCO2)cn1 195003024 IYQGEWASAGHIGS-QGZVFWFLSA-N 317.389 2.191 0 40 DEAB Cc1ccn(-c2ccccc2CNC(=O)[C@]2(C)CCCNC2)n1 195554417 MOSRQPPXYHAGNU-GOSISDBHSA-N 312.417 2.187 0 40 DEAB Cc1ccc(CN2C[C@@H]3CN(C[C@@H]4CCOC4)C[C@@H]3C2)cc1 96161735 VNNCZMXQRWTGPH-GBESFXJTSA-N 300.446 2.395 0 40 DEAB O=C(CN1CCS[C@H](c2ccccc2)C1)NC[C@@H]1CCCO1 96410578 WULUAXJRLXQAKQ-HOTGVXAUSA-N 320.458 2.072 0 40 DEAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cnccc1C 95452251 PXATVNMKOOHSBW-UHFFFAOYSA-N 308.407 2.049 0 40 DEAB COCCC(=O)N1C[C@@H]2[C@@H](C1)CN2Cc1ccccc1Cl 96080504 WOXILZNDGVOCNS-UKRRQHHQSA-N 308.809 2.019 0 40 DEAB C[C@@H]1CN(C(=O)CCS(C)(=O)=O)CC[C@@H]1c1ccccc1 96425572 ATLZDAVLMVAQCE-HIFRSBDPSA-N 309.431 2.073 0 40 DEAB CCNC(=O)c1c2c(N3CCCC3)ncnc2n2ccccc12 96264383 FTUHIGJXZAVIDO-UHFFFAOYSA-N 309.373 2.232 0 40 DEAB O=C(c1ccoc1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158263 UIEWQHJMWIHPLN-QGZVFWFLSA-N 312.373 2.202 0 40 DEAB CO[C@@H]1CCN(C(=O)c2ccncn2)C[C@@H]1Cc1ccccc1 96110174 HPPDBDITWBLLCW-DOTOQJQBSA-N 311.385 2.196 0 40 DEAB Cc1noc(CNC(=O)c2ccnc(OC3CCCCC3)c2)n1 92943761 YLDQZVPJKKFXLV-UHFFFAOYSA-N 316.361 2.415 0 40 DEAB CN(C)C(=O)c1cccc(CCNC(=O)Cc2cccs2)c1 96423150 IWXNRBSHKAJCPX-UHFFFAOYSA-N 316.426 2.351 0 40 DEAB O=C1CC[C@H](C(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)CN1 245289586 CUDHLFWVYWBVLG-GVRJEKJASA-N 304.434 2.330 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3nccc4ccccc34)CCO2)n1 257295369 QYAOTJOLNXYOLA-OAHLLOKOSA-N 322.368 2.480 0 40 DEAB CNc1cccc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257206405 BDGAGMWMUNVMSX-CQSZACIVSA-N 317.414 2.327 0 40 DEAB c1ccc(OCCN2CCO[C@@H](CCc3ccncn3)C2)cc1 257310095 UDQVCGCFKUQGSR-SFHVURJKSA-N 313.401 2.189 0 40 DEAB COc1ccccc1CC(=O)N1CCCC[C@H]2CNCC[C@H]21 257298938 RNZKIHFMQZVLPU-JKSUJKDBSA-N 302.418 2.228 0 40 DEAB C[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccco1 253591111 JSSCPPJWFIERQC-LBPRGKRZSA-N 314.389 2.193 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)Nc2nnc(C3CC3)n2C)c1 585113362 UAJQSWDCCHEIMG-UHFFFAOYSA-N 317.324 2.042 0 40 DEAB Cc1oc(C(=O)O)cc1S(=O)(=O)N(C)c1ccc(F)cc1 55312652 OKNBROZSWSBRPG-UHFFFAOYSA-N 313.306 2.250 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccnc(OCC3CC3)c2)C[C@@H](C)O1 67481403 ZLDJPAOTMRFYAA-BETUJISGSA-N 319.405 2.189 0 40 DEAB O=C(c1cc[nH]n1)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 12221791 QUZQSQYTODOVSF-UHFFFAOYSA-N 322.372 2.215 0 40 DEAB O=C(CN1CCCCCC1)Nc1nc2c(s1)C(=O)CCC2 16740512 XJCMFCQNXXHXJF-UHFFFAOYSA-N 307.419 2.477 0 40 DEAB O=C(NCCCCCCNC(=O)N1CCCC1)N1CCCC1 5375196 CABSULCWTFWWDQ-UHFFFAOYSA-N 310.442 2.158 0 40 DEAB CC(C)n1nnnc1CN1CCN(c2cccc(Cl)c2)CC1 35290777 FCJOQHHUBPFEPB-UHFFFAOYSA-N 320.828 2.230 0 40 DEAB Cc1ccc(NC(=O)N(C)C2CN(c3ccc(C)nn3)C2)cc1 1888869970 YKOHDPZCKCBWDK-UHFFFAOYSA-N 311.389 2.446 0 40 DEAB Cc1cnc(N2CCC[C@H](C(=O)N3CCSCC3)C2)s1 1889098073 HJSPPQLAEUBUPF-LBPRGKRZSA-N 311.476 2.243 0 40 DEAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CCO)CC1 19597519 AZITVKIJGCYJBW-UHFFFAOYSA-N 318.204 2.135 0 40 DEAB O=C(c1ccc2ncsc2c1)N1CCC2(CC1)OCCO2 24995292 XEVBTJJIMXLBFN-UHFFFAOYSA-N 304.371 2.275 0 40 DEAB CCOCC(=O)N1CCC(O)(COc2ccc(C)c(C)c2)CC1 2037916045 JPIAUBNMOOUAMA-UHFFFAOYSA-N 321.417 2.072 0 40 DEAB Cc1oncc1C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252537469 LGVUBQKIYJNJPH-JOCQHMNTSA-N 301.346 2.498 0 40 DEAB CC(C)[C@H](CNC(=O)Nc1cccc(F)c1)N1CCOCC1 22767613 IATKVEXLXKCNSG-HNNXBMFYSA-N 309.385 2.304 0 40 DEAB O=S(=O)(NC[C@H](O)c1ccc(-c2ccco2)s1)C1CC1 1775967782 DBJWOOHQHVAKJT-JTQLQIEISA-N 313.400 2.123 0 40 DEAB Cc1cc(C)n([C@H](CNC(=O)c2ccno2)c2ccco2)n1 585367384 FWYMYHXPZVOHBF-GFCCVEGCSA-N 300.318 2.100 0 40 DEAB Cc1ccc(N2C(=O)C[C@H](Sc3ncn[nH]3)C2=O)c(Cl)c1 6556667 LLFCYWCOWRVPDN-JTQLQIEISA-N 322.777 2.191 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCn3cccc3[C@H]2C)c1C 30262590 FQNJJNZLWYPBRP-GFCCVEGCSA-N 315.373 2.437 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N(C)CCCOc1ccccc1 30358379 WNLXORRIEBASTC-UHFFFAOYSA-N 324.402 2.381 0 40 DEAB CN(C)C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccccc1 30499331 PZBAPVQUSDLIKW-OAHLLOKOSA-N 322.405 2.407 0 40 DEAB COc1cc(F)ccc1-c1ccc(=O)n(CC(=O)OC(C)C)n1 40283594 YDRHZOPWRUUISN-UHFFFAOYSA-N 320.320 2.010 0 40 DEAB O=C(NCc1cccs1)[C@H]1CCCN(c2cnccn2)C1 40497547 FZTDBXXPGKWINB-LBPRGKRZSA-N 302.403 2.071 0 40 DEAB CC[C@H](C)c1ccc(NC(=O)CSc2nnnn2C)cc1 31494 CMZXMQHHYRVPQU-JTQLQIEISA-N 305.407 2.454 0 40 DEAB O=C1C[C@H](NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1 182020 MBCWRIQQZQGSLH-AWEZNQCLSA-N 315.760 2.157 0 40 DEAB CC(=O)c1c(C)nc(-c2ccccc2)nc1SCC(N)=O 419846 MEGZIPOPQPCPES-UHFFFAOYSA-N 301.371 2.232 0 40 DEAB CC[C@H]1CN(S(=O)(=O)c2ccc(C)c3ncccc23)CCO1 40501619 WQMJSANNVURHOF-ZDUSSCGKSA-N 320.414 2.343 0 40 DEAB C[C@@H]1CN(Cc2cn3cc(Br)ccc3n2)CCO1 51160456 ZERFVMOKXBSFMN-SNVBAGLBSA-N 310.195 2.318 0 40 DEAB CS(=O)(=O)NCCOc1ccccc1Cc1ccccc1 3153214 NULFPRXWNRPXLV-UHFFFAOYSA-N 305.399 2.205 0 40 DEAB O=C(OCC(=O)N1CCCC1)c1ccccc1Br 3233895 ZLGUWBCVPJLDKE-UHFFFAOYSA-N 312.163 2.228 0 40 DEAB CCc1ccc(C(=O)N2CCN(C(=O)c3cc[nH]c3)CC2)cc1 68263912 GOFGBTGTPWKDHH-UHFFFAOYSA-N 311.385 2.175 0 40 DEAB CCONC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 8746696 OGRBMWVWBDKYQL-UHFFFAOYSA-N 320.370 2.169 0 40 DEAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cnccn2)c(C)c1 8772331 FUDMSYRMGDTESF-UHFFFAOYSA-N 312.373 2.113 0 40 DEAB Cn1ccc(NC(=O)CCc2nc(-c3cccs3)no2)n1 32778153 KVNQUDQHZJNYHE-UHFFFAOYSA-N 303.347 2.103 0 40 DEAB COc1cccc(CC(=O)N2CCN(c3nccs3)CC2)c1 29657006 UQVIHHIPJWUJNA-UHFFFAOYSA-N 317.414 2.043 0 40 DEAB CC1(C)C[C@]2(CCO1)OC(=O)C[C@@H]2C(=O)NCc1ccccc1 488891 WKYZUPXREABRLY-KDOFPFPSSA-N 317.385 2.194 0 40 DEAB biogenic COc1ccc(C[C@H](C(=O)Nc2ccccc2)c2nnn[nH]2)cc1 418746 GVBJEOJGBIPUOV-HNNXBMFYSA-N 323.356 2.173 0 40 DEAB CO[C@@H]1CCCN(C(=O)c2cc(F)cc3nc(S)[nH]c23)C1 102761844 PZWPHHQRDFDGQH-SECBINFHSA-N 309.366 2.242 0 40 DEAB O=C(Nc1ccncc1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 53140302 SOPVALRBNMBJSF-SNVBAGLBSA-N 317.295 2.351 0 40 DEAB CC(=O)c1ccc(OCC(=O)N[C@@H]2CCN3CCCC[C@H]23)cc1 46997960 YNBUTMPBUJLDIQ-IAGOWNOFSA-N 316.401 2.011 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)c(C)s1 42191677 ZBVPTJBZPHFGIE-HIFRSBDPSA-N 323.439 2.302 0 40 DEAB Cc1cc(C)n(CCC(=O)NCc2cnn(-c3ccccc3)c2)n1 22991929 LRXSNKCQBZITTP-UHFFFAOYSA-N 323.400 2.392 0 40 DEAB Nc1nccnc1C(=O)Nc1cccc(OCc2cccnc2)c1 54038820 FCKMJLQAFXJZBZ-UHFFFAOYSA-N 321.340 2.285 0 40 DEAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCNC(=O)CC1 54547325 HLKVLALCSKERIR-UHFFFAOYSA-N 324.808 2.156 0 40 DEAB CN(CCOc1ccc(Cl)cc1)Cc1nnnn1C1CC1 44070735 AFACBXSPYMCBNH-UHFFFAOYSA-N 307.785 2.172 0 40 DEAB C[C@@H](NC(=O)N(Cc1ccccc1)CC1CCC1)C(=O)N(C)C 57485478 VSQWKUKAZNZKLI-CQSZACIVSA-N 317.433 2.475 0 40 DEAB CC(C)OC(=O)OCCNC(=O)c1cc2ccccc2oc1=O 2023387 PENZGYOADVDJLE-UHFFFAOYSA-N 319.313 2.084 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)CCc2ccccc2)n1 58178103 MMBCQVCDAZXQEY-UHFFFAOYSA-N 311.385 2.468 0 40 DEAB CC(C)Cc1nc(Cn2c(-c3ccccc3)noc2=O)no1 58201609 WRGVBSNXVGNYTD-UHFFFAOYSA-N 300.318 2.133 0 40 DEAB COC[C@@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 44969992 ZIWWMJNMWALYOY-NXEZZACHSA-N 308.403 2.226 0 40 DEAB C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1cccn1 45074921 XDJVRKPCNJSDTE-IUODEOHRSA-N 303.337 2.183 0 40 DEAB O=C1NCc2ccc(NCC(=O)N3CCCCCCC3)cc21 58470151 RRDFMFCRTNQJSO-UHFFFAOYSA-N 301.390 2.135 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)CCn2cnc3sccc3c2=O)C1 13010389 VMMVCTMWTNRILA-TXEJJXNPSA-N 319.430 2.353 0 40 DEAB COC(=O)c1ccc(OCc2ccc(C(N)=O)cc2)c(OC)c1 16810825 JYZGUWUIFXXDJY-UHFFFAOYSA-N 315.325 2.160 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(C)s1 8315577 PTHBYXFSXQWSCN-LLVKDONJSA-N 310.419 2.050 0 40 DEAB O=C(NCc1nnc2n1CCC2)N1CCC2(CCCCC2)CC1 69563550 IXOIBTMZFPPLBB-UHFFFAOYSA-N 317.437 2.480 0 40 DEAB Cc1cn2nc(N(C)C[C@H](O)c3ccc(F)cc3)sc2n1 69568082 AZUJHJCAOFWSRS-LBPRGKRZSA-N 306.366 2.408 0 40 DEAB COc1ccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cn1 14229009 UCOGKPCQUZJHGL-ZUZCIYMTSA-N 300.314 2.257 0 40 DEAB COC(=O)c1ccc(NCc2ccccc2Cn2cccn2)nn1 69773358 JCVPHSABYXUUTB-UHFFFAOYSA-N 323.356 2.120 0 40 DEAB O=c1c(-c2ccccc2)nnc2sc(-c3ccccn3)nn12 6759702 XPPRDQDIXLWGDV-UHFFFAOYSA-N 307.338 2.275 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2ccc(Cl)c(F)c2)CC1 92015580 AXHIQRVVXBDSKE-AWEZNQCLSA-N 315.772 2.225 0 40 DEAB CNC(=O)Cc1ccc(NS(=O)(=O)[C@H](C)CC(C)C)cc1 69844537 FTMVXMCSFOCTIN-GFCCVEGCSA-N 312.435 2.151 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCCN2[C@@H](C)c2nnc(C)o2)n1 69879809 KALJHJGAWPTJOS-HZMBPMFUSA-N 304.398 2.202 0 40 DEAB CC(C)c1nccn1[C@H]1CCCN(C(=O)Cn2cccn2)C1 69946698 VIVXAUCAPKJSQB-AWEZNQCLSA-N 301.394 2.067 0 40 DEAB O=C(NC[C@@H](O)C(F)(F)F)c1c(O)cc(Cl)cc1Cl 80034973 ACETUUNMNLQASI-SSDOTTSWSA-N 318.078 2.352 0 40 DEAB CC(=O)Nc1ccc(OC[C@@H](O)CNC2CCCCC2)cc1 26533350 CLRAHLMBIBUIOI-INIZCTEOSA-N 306.406 2.307 0 40 DEAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccncc2)CC1 67801203 HHVBISXLGHESNT-UHFFFAOYSA-N 319.405 2.459 0 40 DEAB Cc1nnnn1-c1ccc(C(=O)N(C)Cc2ccccc2)cc1 71284883 DJQKZNRQOVZUJC-UHFFFAOYSA-N 307.357 2.243 0 40 DEAB C[S@@](=O)c1nncn1Cc1csc(-c2ccsc2)n1 71899916 FOESJBOGYFDQSA-IBGZPJMESA-N 310.429 2.249 0 40 DEAB CC(C)(C)c1nc(N2CCC[C@H]2C(=O)NCc2ccco2)no1 97104433 XJWKRTQUSFUXBB-LBPRGKRZSA-N 318.377 2.245 0 40 DEAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC2(C1)OCCO2 84367662 XPCQUOOCOSIOEH-ZIAGYGMSSA-N 322.792 2.354 0 40 DEAB Nc1ccnc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)n1 84344424 KVKHEFOAYKVZPX-LBPRGKRZSA-N 318.352 2.368 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)CCn2ccccc2=O)C12CCCC2 76068070 MXWMGCHAPWXHJV-HUUCEWRRSA-N 318.417 2.092 0 40 DEAB O=C(c1ccc[nH]c1=O)N1CCC(Nc2ccccc2F)CC1 76041616 AILHYYYGNLYPPB-UHFFFAOYSA-N 315.348 2.231 0 40 DEAB CCn1c(SCCCOC(C)C)nnc1N1CCOCC1 95349686 WHGRXCOHCIEJNT-UHFFFAOYSA-N 314.455 2.042 0 40 DEAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](O)Cc1ccccc1 95449426 XVUUFQKXGRRGIH-MLGOLLRUSA-N 315.417 2.240 0 40 DEAB O=C(NNc1nccnc1Cl)C1(c2ccccc2F)CC1 77014716 KZMIZTFMQBOFEC-UHFFFAOYSA-N 306.728 2.444 0 40 DEAB C[C@@H](COc1ccccc1F)NC(=O)N[C@H](C)c1cnn(C)c1 95404521 CNFLHXRQUQRCKX-NWDGAFQWSA-N 320.368 2.387 0 40 DEAB CC(=O)N1CC[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)C1 95415084 HQNWTEVLOJHZNT-ZDUSSCGKSA-N 323.400 2.060 0 40 DEAB CO[C@H]1CCCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 95417511 WLHJUUWTXOPLFO-JTQLQIEISA-N 305.346 2.073 0 40 DEAB CC(C)(C)OC(=O)NC[C@H]1CCCN1c1ncnc2[nH]ccc12 95966501 ILVBRNJDXGKVFH-LLVKDONJSA-N 317.393 2.451 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)c2ccc(=O)n(C)c2)n(C)n1 74285479 RJJZRGOJIILVOL-UHFFFAOYSA-N 322.368 2.347 0 40 DEAB CCOc1ccc(C(=O)N[C@@H](CC(=O)O)C2CC2)cc1OCC 89267927 DBPMOCAGEOYFLQ-ZDUSSCGKSA-N 321.373 2.467 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N2CCCCCC2)cc1 20493119 DEJYDJVLDDDEDA-UHFFFAOYSA-N 311.403 2.179 0 40 DEAB CCOc1cc(N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)ncn1 79438769 CNAVFGQFFIMUNW-GFCCVEGCSA-N 322.409 2.321 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc(Cl)c2N)C1 38579964 ZBTGYEWRDOFBRR-QMMMGPOBSA-N 313.789 2.134 0 40 DEAB Cc1nc2cccnc2n1CCNC(=O)Cc1cccs1 72346456 XNRQPZXNABXZSO-UHFFFAOYSA-N 300.387 2.160 0 40 DEAB Cc1ccsc1[C@@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 75155231 KRBIJUIVLDIWKY-FZMZJTMJSA-N 319.382 2.046 0 40 DEAB CN1CCC[C@@H](C(=O)N2CCN(/C=C/c3ccccc3)CC2)C1 78582346 DAZCKQRBAGFRMD-SXAWMYDMSA-N 313.445 2.143 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2)cc1 20047177 HZPPZNKCQSQHQP-UHFFFAOYSA-N 319.382 2.093 0 40 DEAB O=C(NCCOCC1CC1)N1CCO[C@@H](c2ccc(F)cc2)C1 78714699 CDEMDHCJOZINQK-MRXNPFEDSA-N 322.380 2.335 0 40 DEAB CC(C)N(C(=O)[C@H](C)N)[C@@H]1CCCN(Cc2ccccc2)C1 79404508 VHTNRLHRFKFGFR-DOTOQJQBSA-N 303.450 2.235 0 40 DEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)N(C)C1C2CC3CC(C2)CC1C3 33168222 LWPCFSNXIIAXCG-YUPDFXLQSA-N 318.461 2.432 0 40 DEAB COc1ccc2c(c1)OC[C@@H](C(=O)N(C)Cc1cscn1)C2 79321217 ZYKYJYXMOWSUIF-LBPRGKRZSA-N 318.398 2.361 0 40 DEAB Brc1ccccc1-c1nc([C@@H]2COCCN2)no1 135920715 PZZMQMGZIDCBDQ-JTQLQIEISA-N 310.151 2.160 0 40 DEAB CCCc1nc(CN2CCCc3cc(C(N)=O)ccc32)no1 195568693 VLPBUTKWYXULGW-UHFFFAOYSA-N 300.362 2.074 0 40 DEAB Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)cs1 225492723 VPRMBDXPKATUID-AWEZNQCLSA-N 300.383 2.109 0 40 DEAB Cc1n[nH]c(-c2cccc(CNC(=O)Cc3ccccc3O)c2)n1 89897832 OWQUAQVECHSYSZ-UHFFFAOYSA-N 322.368 2.345 0 40 DEAB Cc1ccc2cc(C(=O)N(C)[C@H](C)C[S@](C)=O)ccc2n1 135784877 UOTXFRZHUPBGKP-XUSGNXJCSA-N 304.415 2.382 0 40 DEAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc2c(c1)CCCC2 40088527 AMPWZPARGAUCBS-ZDUSSCGKSA-N 319.430 2.129 0 40 DEAB FC(F)(F)CNc1ncncc1I 85465137 VMVFISNVTRXLIQ-UHFFFAOYSA-N 303.025 2.055 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 224997782 MIJYDHXDQABVAY-LBPRGKRZSA-N 324.446 2.453 0 40 DEAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)c(OC)c1 85879722 FNTFSXOJAXAXLZ-LBPRGKRZSA-N 315.325 2.142 0 40 DEAB biogenic CCc1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)o1 96426968 IIAFWVVVKODTCB-LLVKDONJSA-N 307.419 2.091 0 40 DEAB CCN1C(=O)CCC12CCC(NC(=O)c1c(C)noc1C)CC2 96228541 OVRXLXGJHLDHOE-UHFFFAOYSA-N 319.405 2.345 0 40 DEAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)c1nccn2ccnc12 96436131 BOMXDQFYDBBSNO-UHFFFAOYSA-N 318.340 2.049 0 40 DEAB Cn1cc(CCCN2CCC(OC3CCOCC3)CC2)cn1 96417433 YJFOYSSTBOWSIM-UHFFFAOYSA-N 307.438 2.013 0 40 DEAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1cccc(C)c1)C2 247902740 ZPCSPGYDSMUIBK-MRXNPFEDSA-N 323.458 2.021 0 40 DEAB Cc1nnc2ccc(C(=O)O[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)cn12 248017580 IDIYDESNHSOWIX-NWANDNLSSA-N 315.373 2.398 0 40 DEAB Nc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 257260262 LCBIMLXMHSZUMW-INIZCTEOSA-N 322.368 2.359 0 40 DEAB C[C@@]12C[C@H](CNC(=O)c3ccc(F)cc3)N[C@@H]1CCCC[C@@H]2O 257206350 BCYJPSRLWRHIED-XLMAVXFVSA-N 320.408 2.227 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2ocnc2C)nc(C)n1 257218716 DEFAUCNSLRVHLP-GFCCVEGCSA-N 301.350 2.100 0 40 DEAB CCCn1nccc1-c1nccnc1[C@H]1CCCN(C(C)=O)C1 257239689 HQIZKCKOYYXHMN-AWEZNQCLSA-N 313.405 2.476 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccncn1 257201884 AJMXKMAWXAABPZ-AWEZNQCLSA-N 307.350 2.142 0 40 DEAB Cc1cnc(C(=O)N2CCCC[C@H]2c2ccn3ccnc3n2)cn1 257227529 FPUARLXFXRRXKT-HNNXBMFYSA-N 322.372 2.195 0 40 DEAB COC(=O)c1cncc(NCc2cccc(OC)c2OC)c1 95990282 OEVWRMLMZTXVHC-UHFFFAOYSA-N 302.330 2.498 0 40 DEAB O=C(c1ccc(Cl)cc1)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1551732264 UEULDGGYFNABJX-CALCHBBNSA-N 323.820 2.327 0 40 DEAB COc1cccc2c1CC[C@@]2(N)C(=O)NC1CC2(CCC2)C1 1579291060 FNGVMUJPMKKHHL-SFHVURJKSA-N 300.402 2.244 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)O)OCC(=O)N2C2CCCC2)s1 828545493 OQHYDZSQNJHQLO-KGLIPLIRSA-N 309.387 2.352 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)Cc2cccs2)cc1 11624052 CLKHFBINNXDJFU-UHFFFAOYSA-N 303.383 2.459 0 40 DEAB CCc1nn2c(=O)cc(COc3cccc(OC)c3)nc2s1 13367663 DJUAYAVRCXANMK-UHFFFAOYSA-N 317.370 2.301 0 40 DEAB CN(C)C(=O)c1cc([C@@H]2CCN(CCc3ccccc3)C2)n[nH]1 19707796 GNIZDPUAWPQYNY-OAHLLOKOSA-N 312.417 2.144 0 40 DEAB CCc1nnc(S/C(=C\c2ccc(OC)c(O)c2)C(=O)O)[nH]1 7342415 XJOJSWOUKZOHBK-XFFZJAGNSA-N 321.358 2.299 0 40 DEAB COc1ccc(O[C@@H](C)C(=O)NCCC2CCN(C)CC2)cc1 156398007 DSYLSCMXZNSEAV-AWEZNQCLSA-N 320.433 2.311 0 40 DEAB O=C(N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCC1 5195345 MZGCRKDEVSYZBV-LBPRGKRZSA-N 307.781 2.251 0 40 DEAB Cc1ncc(CN2C[C@@H](CN3CCOCC3)c3ccccc32)cn1 19287178 ZDKXHGWTKFPBKN-QGZVFWFLSA-N 324.428 2.221 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1F 13093536 LBBDSLGRUPTQKL-UHFFFAOYSA-N 323.345 2.345 0 40 DEAB CNC(=O)[C@H](C)OC(=O)c1ccc(COc2ccccc2)o1 26564096 OKXZCWQXYCSZCN-NSHDSACASA-N 303.314 2.150 0 40 DEAB CCOC(=O)N[C@H](CNC(=O)c1cccc(C)n1)CC(C)C 36392958 QMQSURLZVVEYCR-ZDUSSCGKSA-N 307.394 2.281 0 40 DEAB C[C@@H](CNc1cc(N2CCCC2)ncn1)CC1(C)OCCO1 302917432 WYJQSMDXULOMRP-CYBMUJFWSA-N 306.410 2.278 0 40 DEAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccn1)[C@@H]1C=C[C@@H]2C12CC2 100061265 AJAREDDGADPXDS-UKJIMTQDSA-N 300.745 2.437 0 40 DEAB Cc1ccc(-c2cc(=O)n(CC(=O)NC3CCCC3)cn2)cc1 13806603 KWJRXIYRWGEYQM-UHFFFAOYSA-N 311.385 2.278 0 40 DEAB CC(C)N1CC[C@H]2N(C)CC[C@@]2(C(=O)Nc2cccnc2)CC1 2055795810 BJZWDYCHQRHCFM-SJLPKXTDSA-N 316.449 2.215 0 40 DEAB Cc1ccc(C)n1CCN1CCN(C(=O)c2ccco2)CC1 21670304 MNEMUPNVNKZZNP-UHFFFAOYSA-N 301.390 2.156 0 40 DEAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccn1 38754906 CRJNZTMFFNFGEH-UHFFFAOYSA-N 323.308 2.395 0 40 DEAB COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCc1ccccc1 585319696 NPTKXICYNMVHBQ-XYPWUTKMSA-N 309.431 2.201 0 40 DEAB Cn1cc(C(=O)NCCNC(=O)c2ccccc2)c2ccccc21 31030453 MKXGBOHSGISFLD-UHFFFAOYSA-N 321.380 2.338 0 40 DEAB COc1ccc(-c2nnc(CN3C[C@H](C)O[C@@H](C)C3)o2)cc1 40477264 DFGHWRLSNQHXSU-RYUDHWBXSA-N 303.362 2.354 0 40 DEAB CCN(CC)C(=O)[C@@H]1C(=O)N(C)[C@@]2(C)C[C@@H]1c1ccccc1O2 202177 RRVBXHVFYDCHHE-QIIPPGSGSA-N 316.401 2.226 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1CCCNC[C@H]1C[C@H]2C=C[C@H]1C2 100699233 GEWCBNUNGIXNAC-SOUVJXGZSA-N 317.433 2.043 0 40 DEAB O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1CC=CCC1 36755529 AHSBOUSNEQFLJA-QGZVFWFLSA-N 313.445 2.281 0 40 DEAB Cc1csc2ncc(C(=O)Nc3ccccc3F)c(=O)n12 4121138 HGPCUYYSZOWBJA-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB Cc1cc(C)c2sc(C)[n+](CCCS(=O)(=O)O)c2c1 4713927 OWNSUCFKXCIRGE-UHFFFAOYSA-O 300.425 2.392 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCNC(=O)C1 7420614 PZHHLZPQQKCCIA-AWEZNQCLSA-N 323.396 2.112 0 40 DEAB CC(C)CCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1 1726559 WADAHTIQZWWFHG-UHFFFAOYSA-N 304.799 2.374 0 40 DEAB CN(Cc1cnn(C)c1)S(=O)(=O)c1cccc(Cl)c1F 32406391 ZMEXTCGNWAURHZ-UHFFFAOYSA-N 317.773 2.033 0 40 DEAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccn1 2624156 KVYIIVYZCRABQI-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB C[C@H](OC(=O)c1ccccc1C(=O)c1cccs1)C(N)=O 21480099 QIJYSBLDAAASEZ-VIFPVBQESA-N 303.339 2.010 0 40 DEAB COCCOCC(=O)N(Cc1ccccn1)c1ccc(F)cc1 71981618 AOZBDBGOYRRVFO-UHFFFAOYSA-N 318.348 2.417 0 40 DEAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)NCC(F)(F)F 52549614 SJDWYVNJDGIFPS-VOTSOKGWSA-N 310.279 2.018 0 40 DEAB CCc1c(C(=O)Nc2cc(C(=O)OC)ccc2F)cnn1C 32932285 UEHNXZFJGSNNRH-UHFFFAOYSA-N 305.309 2.161 0 40 DEAB CN(C)C(=O)CCNC(=O)NCCc1cccc2ccccc12 46774917 AUPXDLFWMRVDKD-UHFFFAOYSA-N 313.401 2.160 0 40 DEAB CCCc1nc([C@@H](NS(=O)(=O)CC)c2ccccc2)no1 71914608 FARBYQPSXJSFQC-ZDUSSCGKSA-N 309.391 2.051 0 40 DEAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cnsn2)cc1 103683859 KMQHFJSNGMOKAS-OBGWFSINSA-N 310.382 2.437 0 40 DEAB NC(=O)NCc1ccc(C(=O)N2CCc3sccc3C2)cc1 22597636 QVGMXBNJPMQCLU-UHFFFAOYSA-N 315.398 2.115 0 40 DEAB COC(=O)N1CCc2nc3cc4c(cc3c(C)c2C1)OCO4 53999174 GQQUEQCSIZDHFB-UHFFFAOYSA-N 300.314 2.396 0 40 DEAB COc1ccc(CN(C)C(=O)Cc2c(C)nn(C)c2C)cc1 22967549 HDNIYAZECYDMSV-UHFFFAOYSA-N 301.390 2.247 0 40 DEAB CCCc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)O)sc1C 37455058 OTXPNOVQSMNQRC-RYUDHWBXSA-N 311.403 2.323 0 40 DEAB c1cnc(N2CCN(Cc3cccc4cccnc34)CC2)nc1 24014041 UGAFKESDRAXYDE-UHFFFAOYSA-N 305.385 2.347 0 40 DEAB CCN(CC)Cc1ccc(CNC(=O)c2ccc[nH]c2=O)cc1 24140838 WKPVLLIFTMBMQG-UHFFFAOYSA-N 313.401 2.147 0 40 DEAB O=C(NC[C@H]1CCCO1)N1CCC(Oc2ccccc2)CC1 55090381 HEFFXBNBYNCPEC-MRXNPFEDSA-N 304.390 2.418 0 40 DEAB Cc1c([C@@H](C)NC(=O)c2cncc(Br)c2)cnn1C 25006339 RBSPRMBBCMULDB-MRVPVSSYSA-N 323.194 2.377 0 40 DEAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCCN(c2cnccn2)C1 107316862 IXNACUMJQSLFJQ-GVDBMIGSSA-N 322.412 2.365 0 40 DEAB CC(=O)NCC1CCN(Cc2nc(-c3ccsc3)no2)CC1 47771976 FXVYRRBDDZGMQT-UHFFFAOYSA-N 320.418 2.146 0 40 DEAB CN(C)CCN(Cc1cccc(O)c1)C(=O)Nc1nccs1 58141459 OMERGGOUXKXYRG-UHFFFAOYSA-N 320.418 2.444 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccc2c(c1)OCCO2 44894284 PFCBHJRBEWBFAP-UHFFFAOYSA-N 321.764 2.083 0 40 DEAB C[C@@H](NC(=O)c1cncn1-c1ccc(F)cc1)[C@H]1CCCO1 27879568 LAJXMAQSHFZRNP-IAQYHMDHSA-N 303.337 2.309 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)COc1ccccc1 3388620 XZBUJCOPOLKCLQ-ZFWWWQNUSA-N 305.374 2.304 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@H](c2ccn[nH]2)C1 170678807 JFYGUMFKSQTCPL-LBPRGKRZSA-N 313.357 2.201 0 40 DEAB O=C(NC[C@@H](O)C1CCOCC1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 110605150 WFJWLLJFWMFTBG-BZUAXINKSA-N 323.820 2.347 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNS(=O)(=O)c2cccs2)n1 48667810 AOPJZFKBCRUXBR-SNVBAGLBSA-N 313.448 2.176 0 40 DEAB Cc1cnn(CCNCC(=O)N(C)[C@@H](C)c2ccccc2)c1 70017309 WRERNDMFHWMKLV-HNNXBMFYSA-N 300.406 2.001 0 40 DEAB CCCCc1nc(CN2CCC[C@H]2Cn2nc(C)nc2C)no1 69493060 XABUNVWJXDYBKA-AWEZNQCLSA-N 318.425 2.285 0 40 DEAB COc1ccc(CNS(=O)(=O)c2ccc(F)c(F)c2)cc1 13937994 AEGFSEBVZBJOPR-UHFFFAOYSA-N 313.325 2.452 0 40 DEAB c1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCOCC2)nc1 65473653 HKBYZADEEDWWBY-KRWDZBQOSA-N 310.401 2.090 0 40 DEAB CCn1cnnc1CNC(=O)c1csc2c1CC[C@H](C)C2 65415418 ZWKRMVMWOVCLAH-JTQLQIEISA-N 304.419 2.414 0 40 DEAB Cc1cc2n(n1)C[C@H](CNCc1ccc(-n3cccn3)cc1)CN2 65623718 ACXMJPLLWAAEQS-MRXNPFEDSA-N 322.416 2.209 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2cscn2)CC1 65623971 JQJPZTZGTBXCQB-LLVKDONJSA-N 319.434 2.282 0 40 DEAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@@H](C)C1 14202084 XKHTVJNKMBOGHU-CJNGLKHVSA-N 321.417 2.369 0 40 DEAB Cc1nn(C)c(C)c1CCNc1ncc(Br)cn1 67350074 JFSFSJOTMRNQFU-UHFFFAOYSA-N 310.199 2.244 0 40 DEAB Cc1cnc(NC(=O)COC(=O)c2ccc(C=O)cc2)s1 409176388 MFPCPJWFTXJLHZ-UHFFFAOYSA-N 304.327 2.060 0 40 DEAB Ic1cccc(OC2CCNCC2)c1 14631910 ANYHKDGHXMOCAC-UHFFFAOYSA-N 303.143 2.422 0 40 DEAB 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C[C@@H](NCCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)cc1 65500712 TWHOCUAGZNIQOQ-SNVBAGLBSA-N 309.797 2.321 0 40 DEAB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N1CCCC1 5352860 HCFPEFVXAJSQKB-GFCCVEGCSA-N 317.418 2.074 0 40 DEAB Cc1cccc(-n2nnnc2S[C@@H](C)C(=O)N2CCCC2)c1 8707192 DLPABWZPINBZRV-LBPRGKRZSA-N 317.418 2.074 0 40 DEAB COCCNC(=O)/C(C#N)=C/c1ccc(Br)cc1 6579862 OAOHOIYOXJMCRS-DHZHZOJOSA-N 309.163 2.119 0 40 DEAB O=C(NCc1cccc(F)c1)C1CCN(c2cnccn2)CC1 6767479 MKTLPCTXKXANTJ-UHFFFAOYSA-N 314.364 2.149 0 40 DEAB CCn1ccnc1CN1CCN(CCc2ccncc2)C[C@@H]1C 69652074 FQCBXNNNMVTSDQ-INIZCTEOSA-N 313.449 2.047 0 40 DEAB COC(=O)CNC(=O)c1cc(-c2cccnc2)nc2ccccc12 17440522 MCUXGWZZXSDYJJ-UHFFFAOYSA-N 321.336 2.200 0 40 DEAB Cc1nn(C)c(C)c1-c1nn2c(C(F)(F)Cl)nnc2s1 61718575 YTWKQNYMPDQFIH-UHFFFAOYSA-N 318.740 2.491 0 40 DEAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCc2ccsc2)CC1 69770619 KMICEQHIJGWJQW-OAHLLOKOSA-N 324.490 2.232 0 40 DEAB Cc1cccc(-c2[nH]ncc2CN[C@H]2CCc3nc(C)nn3C2)c1 69772996 KJYOIIKXSWCENW-INIZCTEOSA-N 322.416 2.390 0 40 DEAB CC(=O)c1ccccc1NC(=O)Cn1ccnc1-c1cnccn1 69704880 ABVKVHRVFAZOFU-UHFFFAOYSA-N 321.340 2.181 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C(N)=O)no1 15394136 YFHALPREZKQXPE-QMMMGPOBSA-N 323.736 2.141 0 40 DEAB Cc1nc(S)sc1CC(=O)NN1Cc2ccccc2C1 90127292 GRXQBJAWOWPYCV-UHFFFAOYSA-N 305.428 2.330 0 40 DEAB CO[C@]1(C)C[C@@H](N(C)C(=O)NCc2cnn(C)c2C)C1(C)C 179356929 AUQFVYZCZRHZIF-CZUORRHYSA-N 308.426 2.074 0 40 DEAB O=C(Cn1nc(-c2cccs2)oc1=O)Nc1ccccc1F 7250592 LUTGJNNFMNHBJR-UHFFFAOYSA-N 319.317 2.343 0 40 DEAB CCOCCN1CCN(CCCc2nc3ccccc3o2)CC1 69840986 PZFMXXYCOFXJPZ-UHFFFAOYSA-N 317.433 2.415 0 40 DEAB Cc1ccc(C(=O)N2CCC(NC(=O)c3cc[nH]c3)CC2)cc1 68351174 AXUNAPAFHSWVCW-UHFFFAOYSA-N 311.385 2.358 0 40 DEAB CCc1nnc(NC(=O)CCc2ccc3c(c2)OCO3)s1 8945016 CTJJMOFLSBWRNC-UHFFFAOYSA-N 305.359 2.401 0 40 DEAB c1ccc(-c2nnc3n2C[C@H](NCc2cccnc2)CC3)cc1 96000237 LWXCJJAWILUCLY-MRXNPFEDSA-N 305.385 2.445 0 40 DEAB CCOC(=O)N1CCC(NC(=O)Nc2ccccc2OC)CC1 9514966 XDTWRMBEPJJVCH-UHFFFAOYSA-N 321.377 2.438 0 40 DEAB CC(C)(C)c1ncc(C(=O)N[C@@H](C(N)=O)c2ccccc2)s1 71825474 CBHJSUOPJKNAQF-GFCCVEGCSA-N 317.414 2.397 0 40 DEAB C[C@@H](Sc1nnnn1C1CCOCC1)c1nc(C2CC2)no1 71879400 RQKUOKNSGTUCJV-MRVPVSSYSA-N 322.394 2.138 0 40 DEAB CCN1CCc2ccc(NC(=O)N3CCC[C@]3(C)CO)cc21 97135420 XTXWSUHPIPADIO-QGZVFWFLSA-N 303.406 2.448 0 40 DEAB O=C(CN1CCCCC1=O)N[C@@H](c1ccccc1)c1ccncc1 97262747 QNSFOKBXAAIGRU-IBGZPJMESA-N 323.396 2.300 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cccc(C)c1)CC2 89986464 ZKSYEXKXVCHUPP-HZPDHXFCSA-N 303.402 2.387 0 40 DEAB COc1cc(NCCNC(=O)c2cc[nH]c2C)cc(OC)c1 95434360 ZZAJSSVUWFCWNA-UHFFFAOYSA-N 303.362 2.182 0 40 DEAB O=C(NC(C1CC1)C1CC1)N1CCCC[C@H]1CN1CCOCC1 73584767 VZOTZGFFFJBTHY-INIZCTEOSA-N 321.465 2.071 0 40 DEAB O=C(C[C@@H]1CCCN1C(=O)c1csnn1)c1ccccc1 85492716 JAWYDHCULWQLIS-LBPRGKRZSA-N 301.371 2.416 0 40 DEAB COc1cccc(C(=O)NC(C)(C)C(C)(C)C(=O)O)c1OC 95961151 SXWPSCSFRJRDIP-UHFFFAOYSA-N 309.362 2.323 0 40 DEAB CCC(C)(C)[C@@H]1CCCN1C(=O)C[C@H]1CCS(=O)(=O)C1 95972791 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CC(=O)c1csc(NC(=O)CCNC(=O)c2cccs2)n1 32810396 WMZCALTTWRRAJW-UHFFFAOYSA-N 323.399 2.166 0 40 DEAB CCC[C@@H](O)CNC(=O)Nc1ccc(Br)c(C)n1 128768217 LHBGGFLHCMCACF-SECBINFHSA-N 316.199 2.435 0 40 DEAB CCCCNc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)O 217545300 JGNVUSKKQZOQIT-UHFFFAOYSA-N 314.407 2.284 0 40 DEAB Cc1cccnc1NC(=O)Cn1c(=O)c(C)nc2ccccc21 72406271 OTIQLRSUEGGGJU-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NCc1cccnc1 226852832 WRIFYSQTAIOVKQ-CQSZACIVSA-N 322.368 2.351 0 40 DEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1 40980417 BBAUFSKHVRPYLV-AWEZNQCLSA-N 313.361 2.305 0 40 DEAB CC(C)CN1CCCC[C@@H]1CNC(=O)Nc1cccn(C)c1=O 195570023 RIWOYINXJFHNCG-CQSZACIVSA-N 320.437 2.017 0 40 DEAB CC(C)[C@@H](CO)NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 97378791 XAUPCQMMWTUZBX-XHSDSOJGSA-N 306.406 2.223 0 40 DEAB c1c2c(nn1CC1CCOCC1)[C@@H](COCC1CC1)OCC2 96068155 WCEYWSMDIFKTRI-MRXNPFEDSA-N 306.406 2.350 0 40 DEAB Cc1cccc([C@@H]2CCCCN2C(=O)[C@@H](C)NC(N)=O)c1C 96431880 KVMNENJROWVKCH-HIFRSBDPSA-N 303.406 2.414 0 40 DEAB O=C(NCCOc1ccc(Cl)cn1)NCCc1ccccn1 96471530 QDAFZWLOGHNLAD-UHFFFAOYSA-N 320.780 2.051 0 40 DEAB CC[C@H](N)C(=O)N1CCN(c2ccc(C(F)(F)F)cc2)CC1 95466888 RINNUFUPHGTGBQ-ZDUSSCGKSA-N 315.339 2.091 0 40 DEAB C[C@H](CS(C)(=O)=O)C(=O)N[C@H](C)c1ccc2c(c1)CCC2 95405991 QXLUJXJHCXZJQV-VXGBXAGGSA-N 309.431 2.033 0 40 DEAB CC(C)CN1CCC2(CCN(C(=O)c3cccn3C)CC2)C1=O 96157735 PBCXKGUAEHSTGI-UHFFFAOYSA-N 317.433 2.136 0 40 DEAB Cc1ccc([C@H]2C[C@H]2C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)s1 96403404 NVAHRGXAARJJMX-QJPTWQEYSA-N 318.398 2.406 0 40 DEAB CC(=O)N1CCC(N2CCC[C@H]2c2ccnc(N(C)C)c2)CC1 257309662 UBWCWEQYSNYWPJ-KRWDZBQOSA-N 316.449 2.295 0 40 DEAB O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCn2nccc2C1 253473202 SPHUQIZHMSXVPO-CYBMUJFWSA-N 304.781 2.351 0 40 DEAB N#Cc1ccnc(N2CCN(c3nc4ccccc4s3)CC2)n1 296595360 SJJNTXMXRZPQBP-UHFFFAOYSA-N 322.397 2.285 0 40 DEAB O=C1Nc2ccccc2C[C@H]1Nc1ncnc2c1ncn2C1CC1 528198885 PGKNGKQKCUFGBE-CYBMUJFWSA-N 320.356 2.137 0 40 DEAB O=C(c1ccccn1)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 253473237 SYQBZIDHMQOSQC-LSDHHAIUSA-N 320.352 2.488 0 40 DEAB O=C(c1cc2cccc(F)c2[nH]1)N1CC[C@]2(CCCO2)C(=O)C1 585288488 BRSFVDRUQYDLNZ-QGZVFWFLSA-N 316.332 2.271 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCCN(Cc2nccn2C)C1 585274893 QXUKPUQEOKBRQX-SFHVURJKSA-N 315.417 2.134 0 40 DEAB COC(=O)CC1CCN(C(=O)C2(Nc3ccccc3)CC2)CC1 585140653 HXGTYVNKZMRUCL-UHFFFAOYSA-N 316.401 2.433 0 40 DEAB Cc1ccc(CC2CN(C(=O)NCCc3cnccn3)C2)cc1 853961164 PBBFUIMDCPZCCB-UHFFFAOYSA-N 310.401 2.212 0 40 DEAB C[C@H](C(=O)O)[S@](=O)CCOc1cccc(Br)c1 49600213 KALIJHZGMBYIPG-RBHXEPJQSA-N 321.192 2.050 0 40 DEAB Cc1noc(C)c1CCC(=O)N(Cc1cnn(C)c1)C(C)C 56025489 IIFAKHDVTYDDID-UHFFFAOYSA-N 304.394 2.395 0 40 DEAB COC[C@@H]1CN(Cc2ccc(Br)c(F)c2)CCO1 83897997 IIBGEEDKIULOPM-NSHDSACASA-N 318.186 2.435 0 40 DEAB O=C(C(c1ccccc1)c1ccccc1)N1CC(n2nccn2)C1 888107157 SSFKBGPFJAPTCM-UHFFFAOYSA-N 318.380 2.494 0 40 DEAB CN(CC(=O)c1ccc(O)c(O)c1)C(=O)/C=C/c1ccccc1 12021996 XOMOYLOADHPQTO-JXMROGBWSA-N 311.337 2.452 0 40 DEAB Cn1ccnc1C1(O)C[C@@H]2CC[C@H](C1)N2C(=O)c1cccs1 12114429 YARMONPEILTFNW-HBBFGDNQSA-N 317.414 2.136 0 40 DEAB CC(C)n1cc2c(C(F)(F)F)cc(N3CCNCC3)nc2n1 12398905 HIWIFZKHVMEJQV-UHFFFAOYSA-N 313.327 2.441 0 40 DEAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@@H]1C 14913394 AWXGFQCBRRRQRS-SMDDNHRTSA-N 308.809 2.461 0 40 DEAB Cc1cc2sc(NC(=O)CCn3cnnn3)nc2cc1Cl 19125803 JRKMWHVWEYOBTR-UHFFFAOYSA-N 322.781 2.273 0 40 DEAB Cc1ccc(S(=O)(=O)NCCn2nc(C)c(C)c2C)s1 19217300 YHIDBNLZMYXSJJ-UHFFFAOYSA-N 313.448 2.157 0 40 DEAB C/C=C1\CN2[C@H]3C[C@@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(O)cccc15 253476309 VVLPFXAEVKKWTK-BVNAWMGCSA-N 322.408 2.070 0 40 DEAB OC[C@]12CCCC[C@@H]1CN(c1cc(C(F)(F)F)ncn1)C2 1888843944 DAKQLPFDMKJKQU-ZWNOBZJWSA-N 301.312 2.484 0 40 DEAB O=C(O)Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 20226974 RKULAAZKMNAFJN-UHFFFAOYSA-N 309.318 2.254 0 40 DEAB Cc1cc(C(=O)NCCn2cc(Br)cn2)c(C)o1 28227520 ABECSSQVMSIWHH-UHFFFAOYSA-N 312.167 2.285 0 40 DEAB Cc1sc2ncn(CCC(=O)NC[C@H]3C[C@H]3C)c(=O)c2c1C 32388298 UOIUBVVQXSLCIL-BXKDBHETSA-N 319.430 2.237 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)c1 32469250 RPUCALWEJXYRIL-ZDUSSCGKSA-N 323.414 2.079 0 40 DEAB O=C(C1CC(F)(F)C1)N1CC[C@H](Oc2ccncc2F)C1 1776009491 QEMHMHBOVACOLU-JTQLQIEISA-N 300.280 2.246 0 40 DEAB CC(C)N1CCC2(CN(C(=O)Cc3noc4ccccc34)C2)C1 1072902916 HAQPKQXYBWYMMN-UHFFFAOYSA-N 313.401 2.313 0 40 DEAB O=C1O[C@H](O[C@H]2OC(=O)C(Cl)=C2Cl)C(Cl)=C1Cl 8581139 PESQEUXEQYJQCC-HTQZYQBOSA-N 319.911 2.147 0 40 DEAB O=C(O)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl 12428530 ZGESNSJKRONVBM-AOOOYVTPSA-N 305.717 2.494 0 40 DEAB O=C(NCc1cccc2ccccc12)N1CC(Cn2ccnn2)C1 1775966921 PFGIBYSHPLPFPM-UHFFFAOYSA-N 321.384 2.273 0 40 DEAB COC(=O)N1CCC(CNC(=O)/C=C/c2ccccc2)CC1 43982079 HXICPBSKBZMGHO-BQYQJAHWSA-N 302.374 2.294 0 40 DEAB Cn1cc(-c2noc(CNc3ncnc4sccc34)n2)cn1 575617260 ROBAUCALTBLDAK-UHFFFAOYSA-N 313.346 2.087 0 40 DEAB C[C@@H](CC(=O)NCCNc1ncccn1)Cc1cccc(F)c1 73072119 LTQKLCZJQPLZSK-CYBMUJFWSA-N 316.380 2.413 0 40 DEAB CCOc1ncccc1CNC(=O)c1cc(-c2ccco2)[nH]n1 30307675 RQIIQDLEVZFYIB-UHFFFAOYSA-N 312.329 2.393 0 40 DEAB Cc1nc(NC(=O)C[C@@H]2C=CCC2)sc1SCC(N)=O 31120070 RZOKNUIFDOXNMB-SECBINFHSA-N 311.432 2.324 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C[C@H](C)O1 28655287 WSYWLFDMZCCQJM-UWVGGRQHSA-N 311.765 2.361 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccnc1OC 59303351 GHQJBBRCZFGPMZ-UHFFFAOYSA-N 320.370 2.136 0 40 DEAB Cc1c(C(=O)N(C)Cc2ccc(Br)o2)cnn1C 40519910 JYPCSVCBUZLXFO-UHFFFAOYSA-N 312.167 2.356 0 40 DEAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1ccn(C)n1 2781827 RQSJEQWLQHBTMF-MRVPVSSYSA-N 301.272 2.144 0 40 DEAB O=C(NCc1cscn1)NC[C@@H](c1ccco1)N1CCCC1 51311884 OYNSXELLZQFVMW-ZDUSSCGKSA-N 320.418 2.372 0 40 DEAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(Cl)c(Cl)c1 7917108 YCPVIMOOWZRIMW-UHFFFAOYSA-N 315.156 2.471 0 40 DEAB CCn1cc(C(=O)OCC(=O)N2CCCc3ccccc32)cn1 71907517 IDVLZZXNYZRIKB-UHFFFAOYSA-N 313.357 2.039 0 40 DEAB CN(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 32780827 PEZKVKCGDVUYAX-AEFFLSMTSA-N 310.397 2.409 0 40 DEAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccc(F)cc1N 21628650 DNNCFYXAZGDIDR-UHFFFAOYSA-N 322.361 2.285 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1cn2ccccc2n1 37132496 KWHUFFOKVFBMJL-YVEFUNNKSA-N 323.352 2.179 0 40 DEAB CC1=NN(c2cc(C)ccc2C)C(=O)[C@@H]1C(=O)c1cnccn1 103503356 MWVKIYWBTHIDID-HNNXBMFYSA-N 308.341 2.315 0 40 DEAB CC(C)C(=O)NCCNC(=O)N[C@@H]1CCCc2ccccc21 23140031 FLVJJEYKGHTQAS-OAHLLOKOSA-N 303.406 2.135 0 40 DEAB C[C@H]1CCCN(C(=O)Nc2cccnc2N2CCOCC2)C1 54481649 UUTGLIWBTUDKJC-ZDUSSCGKSA-N 304.394 2.182 0 40 DEAB C[C@@H](C(=O)N(C)Cc1ccc(Br)o1)n1cccn1 42752968 XIWPMHSRBWPRON-VIFPVBQESA-N 312.167 2.458 0 40 DEAB CCCc1cc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)O)sc1C 37455056 OTXPNOVQSMNQRC-NWDGAFQWSA-N 311.403 2.323 0 40 DEAB CCOC(=O)C(=O)c1cc(OC)c(OC)cc1Br 42898735 RECNUNFMNZPTCB-UHFFFAOYSA-N 317.135 2.212 0 40 DEAB in-vitro CNC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1 21316291 QCVZBLIMYWTGPY-UKTHLTGXSA-N 314.345 2.238 0 40 DEAB O[C@@H]1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 12537658 CTNSQDVVUQFZNO-IAGOWNOFSA-N 301.386 2.036 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)s1 28226014 XXUBQXCDRBIWGH-UWVGGRQHSA-N 322.386 2.015 0 40 DEAB CCC(C)(C)NC(=O)Cn1c(-c2ccccc2C)noc1=O 58278815 NLDXKZHAQZKMDC-UHFFFAOYSA-N 303.362 2.117 0 40 DEAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 44911686 BHVKJMFWQSUMQZ-VIFPVBQESA-N 316.279 2.045 0 40 DEAB COc1c(Cl)cc(NC(=O)Cn2cncn2)cc1Cl 69324280 CEBYPYCREKGCMF-UHFFFAOYSA-N 301.133 2.232 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCc2ccc(Cl)cc2)CC1=O 28432022 LXSPGDLASDHJCP-ZDUSSCGKSA-N 308.809 2.256 0 40 DEAB CNC(=O)CN(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 48261827 UFXCWWJNRPAJOV-UHFFFAOYSA-N 323.805 2.282 0 40 DEAB O=C(NCCCn1ccnc1)c1csc(-c2ccco2)n1 48333680 XMAMVCMVYBHBOY-UHFFFAOYSA-N 302.359 2.420 0 40 DEAB CCS(=O)(=O)Nc1cccc(C(=O)NCCc2ccco2)c1 12821682 ITMBVTOBUDHOLY-UHFFFAOYSA-N 322.386 2.014 0 40 DEAB CN1N=C(C(=O)Nc2cnccc2Oc2ccccc2)CCC1=O 69444217 RRLBSKYNGZTNEY-UHFFFAOYSA-N 324.340 2.421 0 40 DEAB Cc1cc(C)cc(OC[C@H](O)CN2CCN(CC(C)C)CC2)c1 65578587 YCYPLSAUQOOEBK-GOSISDBHSA-N 320.477 2.317 0 40 DEAB CN(C)Cc1ccc(C(N)=O)cc1NCc1cccc2cn[nH]c12 92171272 PEGQDIJKSYZGBZ-UHFFFAOYSA-N 323.400 2.336 0 40 DEAB Cc1nnnn1-c1ccccc1C(=O)NCc1ccccc1F 71287267 FZONOHHNXDHZMT-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)COc1ccccc1 24210640 KSSCIZDIXBRYRO-CQSZACIVSA-N 317.385 2.136 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCc1ccccn1 69928399 VZJMTMLZRSFWNT-SJORKVTESA-N 301.434 2.490 0 40 DEAB CN[C@@]1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1 4836898 QSCGGSJEIOJUPT-KRWDZBQOSA-N 315.421 2.283 0 40 DEAB CC1CCN(C(=O)COc2ccc(Cl)cc2C(N)=O)CC1 7022591 WKBSVSCJJHYTTF-UHFFFAOYSA-N 310.781 2.076 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@H](C)C[C@@H](C)C1 7389536 JLPAJJMKGKKJPD-CHWSQXEVSA-N 313.401 2.209 0 40 DEAB CCc1cccc(C)c1NC(=O)CSc1cnnc(O)n1 15831104 BBSQZMYEIVYUJA-UHFFFAOYSA-N 304.375 2.179 0 40 DEAB COCCN1CC[C@@H](CNC(=O)CCc2cccc(Cl)c2)C1 68493493 PDULNCSHUULKBJ-HNNXBMFYSA-N 324.852 2.357 0 40 DEAB O=C(Nc1ccccc1C(=O)O)c1ccc(-n2cnnc2)cc1 16449367 VTACVSUHIRMRDY-UHFFFAOYSA-N 308.297 2.218 0 40 DEAB CC(=O)Nc1nc(COC(=O)c2ccc(C)cc2O)cs1 9447300 RHAIIWMOINZQNA-UHFFFAOYSA-N 306.343 2.473 0 40 DEAB COc1cccc(SCC(=O)N2CCCC[C@H]2CC(N)=O)c1 71799385 JPCNHUDLUREYJQ-LBPRGKRZSA-N 322.430 2.044 0 40 DEAB Cc1nc(CC(=O)N2CCCN(c3nccs3)CC2)cs1 71830681 SVYIMXZLQYBYAN-UHFFFAOYSA-N 322.459 2.189 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCOC2)cc1OC 71834655 LYOQHKXQPVSHFH-UONOGXRCSA-N 305.374 2.404 0 40 DEAB Cc1nnc(CNC(=O)[C@@H](C)SCc2ccccc2)n1C 71859420 VVSSGASGNDIYAX-LLVKDONJSA-N 304.419 2.062 0 40 DEAB CCc1csc([C@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1 72282191 NLEAHICPNDFFOO-ZDUSSCGKSA-N 318.446 2.388 0 40 DEAB Nc1c(-c2ccccc2)nsc1C(=O)NCCN1CCCC1 67334720 SPCWKLJEFUDPLE-UHFFFAOYSA-N 316.430 2.218 0 40 DEAB COc1ccccc1[C@@H](C)CNS(=O)(=O)c1ccc(N)cc1 97114509 FVFYTXWGGMSXIJ-LBPRGKRZSA-N 320.414 2.359 0 40 DEAB CN1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1=O 72313563 VIOZKBPOPKBVGP-UHFFFAOYSA-N 317.389 2.314 0 40 DEAB O=c1[nH]c2ccccc2nc1CN1CCO[C@H](c2ccccc2)C1 97201382 SUJAGZHHRFCPCP-SFHVURJKSA-N 321.380 2.497 0 40 DEAB OCC[C@H]1CSCCN1c1ncnc2cc(F)c(F)cc12 84338826 LRGMQPQSPCVBEQ-VIFPVBQESA-N 311.357 2.212 0 40 DEAB C[C@@H]1CCC[C@@H](OCC(=O)NCCN(C)CC(F)(F)F)C1 95396009 CRYPVQCNYUIIMG-VXGBXAGGSA-N 310.360 2.192 0 40 DEAB CO[C@@H](C)c1nc(Cn2c(C)nn(C(C)(C)C)c2=O)cs1 95464701 IAUGRCMAAZTESG-VIFPVBQESA-N 310.423 2.320 0 40 DEAB Cc1cnc(CCNC(=O)N[C@H](C)C[C@H](O)c2ccco2)s1 95413540 COKCTLOZEKGJFG-PWSUYJOCSA-N 323.418 2.398 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 78339476 GWZZJPNSBOLSJE-MRXNPFEDSA-N 324.380 2.429 0 40 DEAB CC1(C)CN(C(=O)CCC(=O)c2ccccc2)CC[S@]1=O 88206443 LKHHUNZECFXMGY-NRFANRHFSA-N 307.415 2.019 0 40 DEAB COc1ccc2c(c1)C[C@@H](N[C@@H](C(N)=O)c1ccccc1)CC2 95973560 TULISZRAKPLOIQ-FUHWJXTLSA-N 310.397 2.369 0 40 DEAB CN1CCO[C@H](c2noc(C3(c4ccccc4F)CC3)n2)C1 95999188 PSFUGYPGQPQLSE-ZDUSSCGKSA-N 303.337 2.292 0 40 DEAB C[C@H]1CCC[C@H](OCC(=O)NCc2ccccc2OCCO)C1 79067034 SWYAKMLTQQJSRF-HOCLYGCPSA-N 321.417 2.269 0 40 DEAB CN1CCO[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 74773388 HPWFTAQZMLSDFV-JTQLQIEISA-N 303.189 2.054 0 40 DEAB COc1cc([C@H]2NC(=O)c3cccnc3N2)cc(Cl)c1O 89424100 JPFFTIOSULQSAY-GFCCVEGCSA-N 305.721 2.303 0 40 DEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@@H](CN(C)C)C1 129678520 NTINXDJBAPXIJE-KGLIPLIRSA-N 323.412 2.186 0 40 DEAB Cc1noc(C2(C)CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 72367346 GZRFZXQDGCQCDD-KRWDZBQOSA-N 320.437 2.133 0 40 DEAB CC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)O 34254310 WLYJTWQCNXWBRA-INIZCTEOSA-N 311.337 2.049 0 40 DEAB CC[C@](C)(NCC(=O)Nc1c(C)nn(C)c1C)c1nccs1 72683152 JZXHDNNMUXSMCC-HNNXBMFYSA-N 321.450 2.347 0 40 DEAB CC(C)N(CC(=O)O)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79392407 FQWXAHGJWPVPBZ-ZDUSSCGKSA-N 314.426 2.429 0 40 DEAB CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)CC2(O)CCCCC2)C1 73761231 CJCGDZYBNUPSKZ-GJZGRUSLSA-N 324.465 2.271 0 40 DEAB O=C(C[C@@H](c1ccccc1)[C@H]1CCCNC1)N1CCOCC1 72208354 AJUDMAFXEWVXJJ-IRXDYDNUSA-N 302.418 2.019 0 40 DEAB CCOC(=O)C(=O)Nc1ccc(-n2nc(C)c(Cl)c2C)nc1 72405485 BLOTUJLTCMGAJW-UHFFFAOYSA-N 322.752 2.039 0 40 DEAB CCNc1ccc(S(=O)(=O)NCCC(C)C)cc1C(=O)O 217696520 GZTJCDMNRYBEFT-UHFFFAOYSA-N 314.407 2.141 0 40 DEAB CC(=O)N1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 72219374 JXYHCAYYVAIWQO-INIZCTEOSA-N 303.406 2.300 0 40 DEAB Cc1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1 73117186 UCMQDXVBZRDDFJ-CYBMUJFWSA-N 303.431 2.244 0 40 DEAB CC(C)(C)c1ccc(NC(=O)N2CCN3CCC2CC3)nn1 225551219 UMWIWMIXBSALHB-UHFFFAOYSA-N 303.410 2.086 0 40 DEAB Ic1ccc(CO[C@H]2CCNC2)cc1 42782971 JJWCKYABGXNQGC-NSHDSACASA-N 303.143 2.170 0 40 DEAB COCC(C)(C)N1CCN([C@@H](C(=O)O)c2ccccc2C)CC1 571290670 GGVFMNJDMAQDPO-MRXNPFEDSA-N 320.433 2.163 0 40 DEAB Cc1ccc(NC(=O)c2cc(N3CCOCC3)on2)c(C)c1 224072475 AQZQWXIYYHZRBL-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB CS(=O)(=O)NCc1ccc(C(=O)c2cccs2)s1 85474158 QMQTZEBDQAQFJG-UHFFFAOYSA-N 301.414 2.090 0 40 DEAB C[C@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)c1nc[nH]n1 572700687 VYCATCGNWZZPNO-CMPLNLGQSA-N 300.362 2.327 0 40 DEAB Cc1cccc(C)c1CN1C(=O)C[C@@H](Cc2cnn(C)c2)C1=O 81182271 BKFYJTNJHPEOCF-OAHLLOKOSA-N 311.385 2.155 0 40 DEAB O=C(NC[C@H]1OCCc2sccc21)N1CCOC[C@@H]1C1CC1 96485520 XCGJNMAERAGBDA-ZIAGYGMSSA-N 322.430 2.182 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3cccs3)C[C@H]2C1 96053923 IJLOLRJWONVDFE-RYUDHWBXSA-N 319.455 2.409 0 40 DEAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1 96041981 NTUJXWUQHSISAQ-XYJFISCASA-N 303.402 2.414 0 40 DEAB C[C@@H](CNS(=O)(=O)c1c[nH]cn1)c1nc2ccccc2s1 95435985 NTWRKUPMLQYLHS-VIFPVBQESA-N 322.415 2.101 0 40 DEAB CN(C)C(=O)CCOC(=O)c1ccc(N2CCCC2)c(F)c1 93247420 PBWOFUDCBFIETH-UHFFFAOYSA-N 308.353 2.061 0 40 DEAB CN(C)CCO[C@H]1CN(Cc2ccsc2)[C@@H]2CCCO[C@H]12 96057449 CKTPBGSPCYDHEG-PMPSAXMXSA-N 310.463 2.058 0 40 DEAB Cc1nc2c(c(NC(C)C)n1)CCN(C(=O)c1ccoc1)CC2 96254634 VNKCKAOSRAEFAG-UHFFFAOYSA-N 314.389 2.439 0 40 DEAB C[C@@](Br)([C@@H](O)c1ccccc1F)S(C)(=O)=O 96521266 STONOBAPVSAMKJ-UWVGGRQHSA-N 311.172 2.015 0 40 DEAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccncc1)COC3 96112632 OEJIRYATWACSSM-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro O=C(CCCn1cccc1)N[C@H]1CCN(c2ncccc2F)C1 96494423 QDLCWBKYIFRWBR-AWEZNQCLSA-N 316.380 2.198 0 40 DEAB Cc1ncc(C(=O)N2CC[C@H](Cc3nccs3)C2)c(C)n1 257259662 KZKUBIVREYMWGG-GFCCVEGCSA-N 302.403 2.255 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1cnn(Cc2ccccc2)c1 257173213 GVJJERWXMCEYFP-UHFFFAOYSA-N 323.400 2.463 0 40 DEAB CCOC[C@@H]1CN(CCOCc2ccccc2)Cc2ccnn21 253384523 PDDLKNJXTPVGOE-SFHVURJKSA-N 315.417 2.493 0 40 DEAB CC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2CCO 257203382 APTXWXYGGDIIET-OKZBNKHCSA-N 302.418 2.195 0 40 DEAB CCOc1ncccc1C(=O)N1CC[C@H](c2[nH]ncc2C)C1 257286775 PMZRKCFBBKIGSL-LBPRGKRZSA-N 300.362 2.142 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257319583 VTDIYSQZONBQGL-CYBMUJFWSA-N 314.389 2.298 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)c2c(C)oc3c2CCCC3)[C@H]1O 257288031 PSMNCPRCLOBUSH-XNRPHZJLSA-N 307.390 2.125 0 40 DEAB CCc1n[nH]c(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3)c1C 257288174 PTEMYNNEZZLBBU-FRQROOTJSA-N 316.449 2.416 0 40 DEAB Cn1cc(-c2cncc(CNC(=O)/C=C/c3ccco3)c2)cn1 390829067 CPFBCCAZLNFWMG-SNAWJCMRSA-N 308.341 2.405 0 40 DEAB c1ccc(CN2Cc3cccn3C[C@@H](Oc3ncccn3)C2)nc1 585111510 CJASJJPAOAIDRX-KRWDZBQOSA-N 321.384 2.137 0 40 DEAB O=C(NCc1cccc(C(=O)O)c1)Nc1cnn(CC2CC2)c1 669500557 RTPUMSBGYHKHHD-UHFFFAOYSA-N 314.345 2.313 0 40 DEAB O=C(NO[C@H]1CCCCO1)[C@H]1CCCN1C(=O)C1CCCCC1 65475245 WLLPAAYBYIWUPA-CABCVRRESA-N 324.421 2.132 0 40 DEAB O=C(NCc1ccoc1)Nc1ccc(-n2cncn2)c(F)c1 62412199 YRZLXCCKBSBCAA-UHFFFAOYSA-N 301.281 2.321 0 40 DEAB CNS(=O)(=O)c1ccc2c(c1)N(Cc1ccsc1)CC2 191556234 VBYRQENMKGAQMX-UHFFFAOYSA-N 308.428 2.219 0 40 DEAB O=C(NCc1ccc(Cl)cc1)N1CC[C@H](n2ccnn2)C1 206933085 ZEVCQYAQUODGQZ-ZDUSSCGKSA-N 305.769 2.088 0 40 DEAB Cc1nnc(SCC(=O)N2CCc3ncc(Cl)cc3C2)o1 13265325 RIEBBIPRKPHSKU-UHFFFAOYSA-N 324.793 2.103 0 40 DEAB Cn1ccnc1SCC(=O)NCCSCc1ccco1 2381204 YERWACLSIZIDKW-UHFFFAOYSA-N 311.432 2.155 0 40 DEAB Cc1ccccc1CN1CCO[C@H](C(=O)N2CCCCC2)C1 1888844584 KWLZTJOBHBHZMR-KRWDZBQOSA-N 302.418 2.208 0 40 DEAB Cc1nc(C)c(CN2CCN(Cc3cnn(C)c3)[C@H](C)C2)s1 2298029953 IRNMNXUKMSGDNX-GFCCVEGCSA-N 319.478 2.200 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cccc(OC)c1)CC2 96421789 DMAHSPSVYCMKQC-IAGOWNOFSA-N 305.418 2.447 0 40 DEAB CC(C)OC(=O)CNC(=O)c1ccc(Br)cc1 36712571 LHIGVSDJSHGTAA-UHFFFAOYSA-N 300.152 2.131 0 40 DEAB CC(C)n1nnnc1S[C@@H](C(=O)N(C)C)c1ccccc1 16453643 VFIMQLDTUGERIS-GFCCVEGCSA-N 305.407 2.176 0 40 DEAB O=S(=O)(NC[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 45743854 UAVJCUPXYAFWCN-HNNXBMFYSA-N 316.426 2.491 0 40 DEAB CS[C@H](C)C(=O)NCc1ccc(-n2nc(C)cc2C)nc1 40553639 QIYYTVOKESNRDG-GFCCVEGCSA-N 304.419 2.252 0 40 DEAB CC(=O)Nc1nc(C(=O)N(C)CCOc2ccccc2)cs1 40513929 BEKKNZBJMNASKI-UHFFFAOYSA-N 319.386 2.253 0 40 DEAB CN(C)c1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccn1 40535393 AWWIHKLRJGNZFV-ZDUSSCGKSA-N 318.446 2.242 0 40 DEAB CC(C)NC[C@H](O)COc1ccc(OCCOCC2CC2)cc1 1534254 JNDJPKHYZWRRIS-INIZCTEOSA-N 323.433 2.230 0 40 DEAB in-man C[C@@H](NC(=O)Cc1cccs1)c1nnc2n1CCCCC2 45897629 TWHRWMDWNKMAPK-LLVKDONJSA-N 304.419 2.486 0 40 DEAB Cc1cnc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cn1 6348934 LQNHGHBSYJPFGT-SECBINFHSA-N 320.736 2.017 0 40 DEAB NC(=O)COc1ccc(C(=O)OCc2cccc(F)c2)cc1 7581237 ZYZVEXHWIIMUHM-UHFFFAOYSA-N 303.289 2.047 0 40 DEAB O=C(CN1C(=O)CCCC1=O)c1ccc(Br)cc1 50130511 YSXVNJZYIIMYAG-UHFFFAOYSA-N 310.147 2.171 0 40 DEAB CCC(CC)C(=O)N1CCC(Nc2cc(C)nc(N)n2)CC1 52473004 GMWVEFWUWGWAEJ-UHFFFAOYSA-N 305.426 2.206 0 40 DEAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 32809295 WTWDQVYOSYCKPI-ZDUSSCGKSA-N 302.374 2.332 0 40 DEAB O=C(Cc1cccs1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404392 NJMDEGSGOOFYQM-STQMWFEESA-N 314.410 2.098 0 40 DEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cn2cc(Cl)ccc2n1 102548364 ZXVIBVSSCOVHMZ-STQMWFEESA-N 315.760 2.439 0 40 DEAB Cc1nc(Cl)cc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 71904083 SGUHOKZTQKOTHT-GFCCVEGCSA-N 320.780 2.317 0 40 DEAB CN[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 53203078 WOTJORYBKAWDPS-VIFPVBQESA-N 323.245 2.366 0 40 DEAB O=C(Cc1ccccc1F)N1CCN(Cc2ccccn2)CC1 53194871 GOPJMTGACDBSAX-UHFFFAOYSA-N 313.376 2.108 0 40 DEAB COC(=O)c1cncc(C(=O)N[C@@H]2CCc3c(F)cccc32)c1 91240869 VYKAFRPYOVERQU-OAHLLOKOSA-N 314.316 2.425 0 40 DEAB Cc1ccc(CN2CCC[C@]3(CO[C@H](C(=O)N(C)C)C3)C2)o1 107732058 NMHRLHSWSBKWEE-DOTOQJQBSA-N 306.406 2.047 0 40 DEAB O=C(O)CC[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)O 37388001 PNCQTRSFSYUTDV-VIFPVBQESA-N 320.128 2.041 0 40 DEAB C[C@@H]1CN(C[C@H](O)COCC[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@@H](C)O1 104492775 BTWIPZIBMYFMPI-KKFZBWNWSA-N 311.466 2.299 0 40 DEAB O=C(NCCCNc1ncccn1)c1ccccc1OC(F)F 42756809 YDDGCNGXZFVQAI-UHFFFAOYSA-N 322.315 2.310 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2c(F)cccc2F)C1=O 47356480 USKDAZYZOLLKQZ-INIZCTEOSA-N 324.327 2.347 0 40 DEAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)NCCCC(N)=O 42924428 NAXONLIWNVPTDD-QMMMGPOBSA-N 319.188 2.142 0 40 DEAB CN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc2ccccc12 55020008 JATMHHDNUMUIRQ-UHFFFAOYSA-N 319.368 2.446 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(-c2ccco2)on1 24728910 IFYKWVINJQAJAF-LLVKDONJSA-N 306.318 2.252 0 40 DEAB CCn1cc(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)cn1 47500067 USXKVAXBCUSAHF-LLVKDONJSA-N 304.398 2.174 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC[C@H]2CCc2ccccc2)CC1=O 55487208 KSBHMDRYJKGAGC-SJORKVTESA-N 314.429 2.479 0 40 DEAB C[C@@H]1CN([C@@H](C(=O)N2CCCC2)c2ccccc2)C[C@@H](C)O1 107327101 NCGUQYSEIHDNEE-BFYDXBDKSA-N 302.418 2.459 0 40 DEAB CCN(CC)C(=O)c1ccccc1NS(=O)(=O)C(F)(F)F 65547967 PWWZMYRKNQGKCZ-UHFFFAOYSA-N 324.324 2.430 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1ccc(Cl)cc1 8133437 ZBFYXIYVGPHRJR-UHFFFAOYSA-N 317.732 2.408 0 40 DEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@@H]3CCCO3)c12 27397445 TUJIJZFHGUNUCY-LBPRGKRZSA-N 316.405 2.309 0 40 DEAB O=C(OCc1nccs1)c1ccc(N2C(=O)CCC2=O)cc1 58280617 NXBUVLFLIHNTIR-UHFFFAOYSA-N 316.338 2.154 0 40 DEAB CCCc1nn(CN(C)Cc2cccc(C(N)=O)c2)c(=S)[nH]1 58206226 XRWZSMCVXRCBHM-UHFFFAOYSA-N 319.434 2.082 0 40 DEAB CCn1cnnc1CNC(=O)c1ccc(Br)s1 44942343 QBYNSMSLWJEILY-UHFFFAOYSA-N 315.196 2.052 0 40 DEAB O=C(C[C@@H]1C=CCC1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12693486 CGQXNCYIDDKSHY-GFCCVEGCSA-N 320.414 2.422 0 40 DEAB Cc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1 3305618 UMBGUBWLIWLODA-INIZCTEOSA-N 301.386 2.403 0 40 DEAB Cc1cccc(CNCCNS(=O)(=O)Cc2ccccc2)c1 48275693 PIGQYKPJGVJBRM-UHFFFAOYSA-N 318.442 2.204 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 12852451 TVLAQZHUCOCNDH-UHFFFAOYSA-N 322.411 2.288 0 40 DEAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1cc(C)on1 3497635 LIMLNVAKCSRDRV-UHFFFAOYSA-N 324.720 2.441 0 40 DEAB CC(C)n1cc(CN2CCCN(C(=O)c3ccco3)CC2)cn1 69560861 XYZMFJNUEBCREB-UHFFFAOYSA-N 316.405 2.405 0 40 DEAB Cc1cc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)no1 3501973 BAYOYNGXIOULOG-JTQLQIEISA-N 307.133 2.049 0 40 DEAB C[C@H]1CN(C/C=C/CN2C[C@@H](C)C(=O)C[C@@H]2C)[C@@H](C)CC1=O 16955655 AXZMGWWNXZUFCN-JMKCQQIFSA-N 306.450 2.141 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCCN2C[C@H](C)O[C@H](C)C2)s1 69322100 LSBQQYJQLUHXIX-AYRXBEOTSA-N 322.474 2.385 0 40 DEAB CC(C)[C@@H](C(=O)N[C@H]1CCc2ccccc21)N1CCCC1=O 69349338 SRRGRIONEHIFCN-RDJZCZTQSA-N 300.402 2.437 0 40 DEAB O=C(NC[C@H](C(=O)O)c1ccccc1)c1ccncc1Cl 91449415 VNHSPJBXPYLSKM-LBPRGKRZSA-N 304.733 2.333 0 40 DEAB CCC(=O)N[C@@H](CCSC)C(=O)NCc1sccc1C 49248101 HQBRJIHRHVCPDO-NSHDSACASA-N 314.476 2.321 0 40 DEAB Cc1ncc(C(=O)NCCNC(=O)c2ccccc2Cl)s1 63541433 YZBXVYJBCJSEQZ-UHFFFAOYSA-N 323.805 2.265 0 40 DEAB Cc1ncc2c(n1)CN([C@@H](C(=O)NC1CC1)c1ccccc1)CC2 69452190 KLSHGSHWHYQZJG-GOSISDBHSA-N 322.412 2.163 0 40 DEAB O=S(=O)(c1ccccc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 4133708 YGRLWPDLQHFGFO-UXLLHSPISA-N 320.458 2.182 0 40 DEAB CCOc1ccccc1C(=O)NCC(=O)N1CCCCCC1 17321140 SZAQBEPFBBGPGL-UHFFFAOYSA-N 304.390 2.218 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 69624864 ZUYHFJZFQUKTGI-WBVHZDCISA-N 314.433 2.436 0 40 DEAB Cc1cccn2c(CC(=O)N3CCC[C@H]3Cn3cccn3)cnc12 65502268 MXUMKSFJEVKJEB-HNNXBMFYSA-N 323.400 2.073 0 40 DEAB Cc1c(CC(=O)NC2CCCC2)c(=O)oc2cc(O)cc(O)c12 5345259 LANMWTNQJYOLMG-UHFFFAOYSA-N 317.341 2.114 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(C)no1 6852323 DYQCRACCQYMFHE-SNVBAGLBSA-N 304.302 2.176 0 40 DEAB COC(=O)c1ccc(=O)n(CCOc2cc(C)cc(C)c2)c1 26778241 ILQSEYYHURABRN-UHFFFAOYSA-N 301.342 2.331 0 40 DEAB Cc1cc(C)c(CNC(=O)CCc2ccc(F)cc2)c(=O)[nH]1 7118537 VDSLGDIOSRNNBX-UHFFFAOYSA-N 302.349 2.380 0 40 DEAB COc1ccccc1N1CC[C@@H](NC2CCSCC2)C1=O 90392486 KLEYLEHYJJBDCU-CYBMUJFWSA-N 306.431 2.286 0 40 DEAB Cc1nnc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)s1 8995820 ZTUXYTYMZGUTGR-UHFFFAOYSA-N 301.331 2.195 0 40 DEAB CS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 110656059 FYUCQZOCJYDUJY-GHMZBOCLSA-N 317.480 2.438 0 40 DEAB CO[C@@H](C)CCOC(=O)[C@H]1CCn2c(cnc2C(F)(F)F)C1 96013440 LPQVZGRTZZWDFG-UWVGGRQHSA-N 320.311 2.433 0 40 DEAB Nc1nc(Nc2cccc(Br)c2)c2nc[nH]c2n1 9422108 JPVDTQHICMAEST-UHFFFAOYSA-N 305.139 2.441 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)N[C@H]2CCC[C@H]2O)c1 96415854 ISSNUEUAPZQZOU-LSDHHAIUSA-N 300.362 2.216 0 40 DEAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)NC(N)=O)o1 96417149 JAAOHVSODCOKEA-DGCLKSJQSA-N 307.394 2.343 0 40 DEAB O=C(N[C@H](CO)Cc1ccccc1)[C@@H]1OCCc2ccccc21 96487693 ZLKGGTJJHPWQTL-FUHWJXTLSA-N 311.381 2.020 0 40 DEAB CCc1sc(C(=O)N2CCN(C[C@@H](O)CC)CC2)cc1C 71880959 BCSAGAOKGFWVCT-ZDUSSCGKSA-N 310.463 2.148 0 40 DEAB O=C(CCn1cnc2ccccc21)Nc1n[nH]c(-c2ccoc2)n1 72286805 VHQHSCOSUJMGHV-UHFFFAOYSA-N 322.328 2.443 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 72277502 ZKHYXIDBDTUPAD-ZDUSSCGKSA-N 317.393 2.484 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)n1 72283315 IMCPZHICNHFKHE-ZDUSSCGKSA-N 317.393 2.484 0 40 DEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H](C)C(=O)O 97035980 QTZQHVRBNACPAL-SECBINFHSA-N 321.764 2.285 0 40 DEAB Cc1cc(NC(=O)N2CCO[C@@H](Cc3ccccc3)C2)nn1C 97035176 JIAKUUSXLDNQGY-HNNXBMFYSA-N 314.389 2.204 0 40 DEAB C[C@@H](Sc1ccc(Br)cc1)C(=O)NCCCO 97477931 OEOQEXSRGGTADV-SECBINFHSA-N 318.236 2.428 0 40 DEAB CCO[C@@H](C)c1nc(C(=O)NCCCCC(=O)O)cs1 95425305 DJCIUIVVVZYNDR-VIFPVBQESA-N 300.380 2.225 0 40 DEAB CCn1nc(C)c(C(=O)NC[C@@H](C(=O)O)c2ccccc2)c1C 95425549 NKPHZIMDQUFSIR-CQSZACIVSA-N 315.373 2.118 0 40 DEAB CCCc1sc(C(=O)NCCNC(=O)N(C)C)cc1CC 95458499 ABLIHMJYHGDKBK-UHFFFAOYSA-N 311.451 2.264 0 40 DEAB CCOc1cc(Cl)ccc1CNC(=O)N1CCC[C@@H]1CO 95434975 XHXNKOMURDGUCC-CYBMUJFWSA-N 312.797 2.405 0 40 DEAB C[C@H](COc1cccc(F)c1)NC(=O)c1nccn2ccnc12 78030620 SRRUEPZYUSCCGH-LLVKDONJSA-N 314.320 2.066 0 40 DEAB O=C(N[C@H](CO)Cc1ccccc1)c1cc(=O)c2ccccc2o1 95947711 VESAQWDJGMDHEW-AWEZNQCLSA-N 323.348 2.126 0 40 DEAB C[C@](O)(CNc1nc2ccccc2c(=O)[nH]1)c1ccsc1 78869615 DLQQBQJTSWZUCY-HNNXBMFYSA-N 301.371 2.304 0 40 DEAB O=C(O)CN1C(=O)S/C(=C/c2ccc(O)c(Cl)c2)C1=O 409148429 PTAAPAYBINZFRK-RUDMXATFSA-N 313.718 2.167 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306131119 JXDWNDMOTDNFPC-QLFBSQMISA-N 316.401 2.124 0 40 DEAB O=S(=O)(c1c[nH]c2ncccc12)N1CCc2ccccc2C1 128063659 NXVOEEOTEXTCTB-UHFFFAOYSA-N 313.382 2.310 0 40 DEAB COc1c(C)c2c(c3c1C[C@@H]([C@]1(C)CCC(=O)O1)O3)C(=O)OC2 67665244 NUOKDRKAQMMGFH-GTNSWQLSSA-N 318.325 2.073 0 40 DEAB in-vitro O=C(CC1CC1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306134407 NMLSLZCGBWJGIM-INIZCTEOSA-N 316.401 2.016 0 40 DEAB CN(C)c1ncccc1N(C)C(=O)c1cccc(-n2cccn2)n1 79726239 ZAZIFWAPMIFGPC-UHFFFAOYSA-N 322.372 2.005 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2NC[C@H](C)O)cc1 186212165 WNOOPIIJSASNCD-CWRNSKLLSA-N 311.447 2.050 0 40 DEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](O)(CN)c1ccccc1 72207950 ZFTLPBPZBWLJAC-PBHICJAKSA-N 308.422 2.382 0 40 DEAB COc1ccc(CNc2ncnc3c(C)nn(C)c23)cc1OC 32649799 FFMNZJMJMQEUCO-UHFFFAOYSA-N 313.361 2.301 0 40 DEAB Cc1nn(C(C)C)c2cnn(CC(=O)NC3CCSCC3)c12 46087529 KJBNDEBJKTYAPR-UHFFFAOYSA-N 321.450 2.134 0 40 DEAB Cc1cccc(N2CCN(C(=O)c3ncccc3O)CC2)c1C 193890937 WAAYIXYAIBPPES-UHFFFAOYSA-N 311.385 2.366 0 40 DEAB Cn1cc([C@](C)(O)CN[C@H]2CCC[C@H](C(F)(F)F)C2)cn1 130043536 WDRLIRPRTUFYGV-WCFLWFBJSA-N 305.344 2.338 0 40 DEAB O=C(O)C1(Oc2ccc(Br)cc2)CCOCC1 41943109 XMFXSHJNYIITPF-UHFFFAOYSA-N 301.136 2.462 0 40 DEAB CCn1nc(C)c(CN2CCN(Cc3ccncc3)CC2)c1C 195563204 WWRLFMSPPYKSRE-UHFFFAOYSA-N 313.449 2.233 0 40 DEAB CCOC(=O)c1ccc(NC(=S)NCCN(C)C)c(C)c1 225404147 KZBLCWRNNUKCED-UHFFFAOYSA-N 309.435 2.020 0 40 DEAB COc1cccc2nc(C[C@H]3CN(C)CC[C@H]3CC(=O)O)[nH]c12 514288427 DZSPXOVIKZENKE-RYUDHWBXSA-N 317.389 2.157 0 40 DEAB biogenic,in-vitro O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1ccnnc1 1583531830 VFTBLWWZNWTQDW-UHFFFAOYSA-N 318.720 2.067 0 40 DEAB CCn1cc(OCC(=O)Nc2cc(C)nn2C(C)(C)C)cn1 193550831 VFEYPSNLXPUGKK-UHFFFAOYSA-N 305.382 2.180 0 40 DEAB c1cncc(OC[C@]23COC[C@H]2CN(Cc2nccs2)C3)c1 96108820 WATJAIZZZHGKRL-CJNGLKHVSA-N 317.414 2.066 0 40 DEAB Cc1ccc(CN2C[C@@H]3COC[C@]3(c3nnc(C4CC4)o3)C2)o1 96209316 KTSCTXWLVDKGQN-CXAGYDPISA-N 315.373 2.248 0 40 DEAB Cc1ccc(COC(=O)CN2CC(=O)Nc3ccccc32)cc1 96257930 KSPJLRYBHAFKIJ-UHFFFAOYSA-N 310.353 2.497 0 40 DEAB CN1CCC(N(Cc2ccco2)C(=O)c2ncccc2O)CC1 97377872 LSABULQJQVBJJY-UHFFFAOYSA-N 315.373 2.117 0 40 DEAB Fc1cccc(N2CCCC2)c1CN1CCC2(C1)OCCO2 93013826 YDHDXPBMEALYAT-UHFFFAOYSA-N 306.381 2.375 0 40 DEAB CNC(=O)c1ccc(CN(C)[C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 248077332 UNZDNFQFRNAWLP-BZUAXINKSA-N 302.418 2.292 0 40 DEAB COc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2N)cc1 242574920 NJLMFCVZIITXAR-ZACQAIPSSA-N 317.410 2.271 0 40 DEAB O=C(O)c1cc(/C=C/c2ccc(-n3cncn3)c(F)c2)ncn1 536390301 HPCJQGMKETVHIK-HNQUOIGGSA-N 311.276 2.065 0 40 DEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)N1CCCCC1 253395654 CBVLMFVTZRLXSX-NSHDSACASA-N 301.346 2.416 0 40 DEAB biogenic,in-vitro Cc1nn(C)c2nc([C@H]3CCCN(Cc4ncc[nH]4)C3)ccc12 257320161 VVPFGDIHRMDSBD-ZDUSSCGKSA-N 310.405 2.379 0 40 DEAB O=S(=O)(c1cccs1)N1CCC(c2cnccn2)CC1 257225636 FHCZNKKUKDAROR-UHFFFAOYSA-N 309.416 2.106 0 40 DEAB CCOC(=O)c1cnn(-c2ncnc(CC)c2F)c1C(F)F 271026749 CFXDPUVEHKSGHW-UHFFFAOYSA-N 314.267 2.478 0 40 DEAB O=C(Nc1cc2ccccc2oc1=O)c1cc2n(n1)CCCO2 90626501 YXXCPRDWJQMQBH-UHFFFAOYSA-N 311.297 2.024 0 40 DEAB Cn1nc(CNC(=O)c2cnc3ccccc3n2)c2c1CCCC2 96099125 FSAOVYPNFWCSLB-UHFFFAOYSA-N 321.384 2.172 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(c2nccs2)CC1 65529768 RFLGKHNIUSUEDK-NWDGAFQWSA-N 303.387 2.188 0 40 DEAB Cc1c(C(=O)NCc2sccc2Br)cnn1C 69459062 NEKIDTOQWSKCBC-UHFFFAOYSA-N 314.208 2.483 0 40 DEAB Cc1ccc2c(c1)N(S(=O)(=O)c1cccnc1)C[C@@H](C)O2 96449261 CFGHIWPKRRDTOA-GFCCVEGCSA-N 304.371 2.366 0 40 DEAB O=C(Cc1cc(F)ccc1F)N1CCC[C@](O)(C(F)(F)F)C1 98016253 DZQXWEQUQNAXKS-CYBMUJFWSA-N 323.261 2.423 0 40 DEAB CN(C)c1ncc(NC(=O)N[C@H]2CCc3cc(F)ccc32)cn1 89326971 LMINEVMSHCIZHT-AWEZNQCLSA-N 315.352 2.491 0 40 DEAB C[C@H](NC(=O)Cc1ccccc1)c1nc(-c2ccncc2)n[nH]1 12114818 YRVLCZHDKPYVON-LBPRGKRZSA-N 307.357 2.287 0 40 DEAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)NCC)ccc1C 12773776 TWGOOUPXUIJEIW-LBPRGKRZSA-N 312.435 2.212 0 40 DEAB C[C@@H](Cc1ccccn1)NC(=O)c1ccccc1Cn1cncn1 19457094 PKEIFAQXNCDZTI-AWEZNQCLSA-N 321.384 2.082 0 40 DEAB CCCC[C@@H](c1nnnn1C1CCCC1)N1CCN(C)CC1 19502106 OBYUMPTYUGBHDN-HNNXBMFYSA-N 306.458 2.267 0 40 DEAB COCCN1CCC(CNC(=O)c2ccc(Cl)cc2)CC1 23014099 KRIXAZCEYWCSFL-UHFFFAOYSA-N 310.825 2.428 0 40 DEAB Cc1cc(N2CCN(c3ncnc4ccccc34)CC2)ncn1 1889149061 PVKQZAPAGPWCCK-UHFFFAOYSA-N 306.373 2.055 0 40 DEAB COc1ccc2cc(C(=O)NC3CN(c4ccccn4)C3)[nH]c2c1 1889205653 AZHWWEHGFWYEMU-UHFFFAOYSA-N 322.368 2.190 0 40 DEAB O=C(CCc1c[nH]c2ccccc12)N1CC(Cn2ccnc2)C1 1889211628 UDIVRWGOLODABJ-UHFFFAOYSA-N 308.385 2.456 0 40 DEAB CC(=O)N[C@H](C)C(=O)N[C@H](C)c1ccccc1Br 25380496 LAGZQAWAKYKMAB-RKDXNWHRSA-N 313.195 2.151 0 40 DEAB COc1cnc(O[C@H]2CCN(c3nc(C(C)C)ns3)C2)nc1 2087128978 UAPKAXGPJJVUHS-JTQLQIEISA-N 321.406 2.118 0 40 DEAB O=C(c1cc[nH]c1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 1565554754 ZFVPMIFYHALBMK-CWRNSKLLSA-N 304.390 2.061 0 40 DEAB O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1 814412 DJPSCONZKNJHKI-UHFFFAOYSA-N 322.773 2.487 0 40 DEAB CCCCC(=O)N[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 5221510 RXQOOGOUZYBHAZ-LBPRGKRZSA-N 320.389 2.116 0 40 DEAB CC(=O)Nc1sc(SCC(N)=O)nc1-c1ccccc1 11027408 WDYUOKVYTRZRJD-UHFFFAOYSA-N 307.400 2.346 0 40 DEAB Cc1ccc(CN(C)C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)o1 40457419 PZRKJDHBUPYJHM-DOMZBBRYSA-N 308.403 2.000 0 40 DEAB C[C@@H](NC(=O)c1ccc(N2CCNC2=O)cc1)c1ccccn1 40479945 DOVZDOBQPQAOSH-GFCCVEGCSA-N 310.357 2.102 0 40 DEAB COc1ccc(-c2csc3ncn(CC(=O)O)c(=O)c23)cc1 65094 ADTCTDWPCLHFKB-UHFFFAOYSA-N 316.338 2.218 0 40 DEAB CN(CC(=O)NC(=O)NC1CCCC1)Cc1cccc(F)c1 7791397 AAFMURBXABSXRW-UHFFFAOYSA-N 307.369 2.026 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)c1ccncc1)c1cccc(F)c1 18235850 IQTKMSMCTKOANP-HNNXBMFYSA-N 310.332 2.474 0 40 DEAB CCCn1c(S[C@@H](C)c2ccc(C(=O)OC)o2)n[nH]c1=O 40505613 IGQYLIHSECEXKH-QMMMGPOBSA-N 311.363 2.214 0 40 DEAB Cc1noc(C2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 40714657 BODNIQNJTQWDPT-UHFFFAOYSA-N 321.402 2.087 0 40 DEAB Cc1ccc(C(=O)NC[C@@H]2C[C@H]3C=C[C@H]2C3)c(-n2cnnn2)c1C 101674441 NYWQYQQCEYGIPW-KKUMJFAQSA-N 323.400 2.221 0 40 DEAB Cc1ccc(S(=O)(=O)NCCCOCC2CC2)cc1F 32407458 ZIJRJIZNGCXLBI-UHFFFAOYSA-N 301.383 2.229 0 40 DEAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(C2CCCC2)C1 21351151 NEQFODPWRMHCOE-SNVBAGLBSA-N 307.781 2.465 0 40 DEAB Cc1ccc(CN2CCO[C@@H]3[C@H](COCCN(C)C)CC[C@@H]32)o1 107747113 AUVLPZCVMAQXIR-RYQLBKOJSA-N 322.449 2.146 0 40 DEAB O=C([C@@H](c1ccccc1)N1CCC(O)CC1)N1CCCCC1 21581885 ZOQWNQVYVHKQHZ-QGZVFWFLSA-N 302.418 2.197 0 40 DEAB O=C(OCCOc1ccc(Br)cc1)c1cnccn1 2648606 DSPGULFELPRYKI-UHFFFAOYSA-N 323.146 2.475 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1c1cccs1 46485361 JMNFNBBGQUDMTQ-ZIAGYGMSSA-N 323.462 2.315 0 40 DEAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(Cl)ccc1O 102784550 BBUALNOKJNALOO-SNVBAGLBSA-N 314.794 2.296 0 40 DEAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=S)NC 552213 ZQVKEIJVYHBQNU-UHFFFAOYSA-N 307.375 2.269 0 40 DEAB COCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 61340964 YUOBIFGWFOPBTO-UHFFFAOYSA-N 322.368 2.197 0 40 DEAB NC(=O)C1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 47264556 VDSQCNOROCPVDB-UHFFFAOYSA-N 316.323 2.325 0 40 DEAB Cc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)n1 68865833 ARZGNBUJHGVKIX-UHFFFAOYSA-N 321.336 2.401 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 100496893 RXJNXCXDFOJRHB-FIQHERPVSA-N 309.243 2.148 0 40 DEAB CCCCc1noc([C@H](C)N2CCC(CNC(C)=O)CC2)n1 47771771 XINTWKXXBWXNPT-LBPRGKRZSA-N 308.426 2.321 0 40 DEAB O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCOCC1 47967841 JWPSVQUCZZTNDH-UHFFFAOYSA-N 304.268 2.492 0 40 DEAB CCOc1ccc2ccccc2c1CNCCNC[C@H](C)O 22076123 OEOCENVLBMDJQG-AWEZNQCLSA-N 302.418 2.299 0 40 DEAB COc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cn1 10222824 VLXUYRPCWLMIEU-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB O=C(CCCNC(=O)C1CC1)Nc1cccc(-n2ccnc2)c1 58226425 YMHVVWPMDFARGD-UHFFFAOYSA-N 312.373 2.117 0 40 DEAB COc1ccc(CN(C)C(=O)N[C@H](C)Cn2cccn2)cc1F 44969622 GHQLADOYNPKBEH-GFCCVEGCSA-N 320.368 2.261 0 40 DEAB CCC(=O)NCC(=O)N[C@H](CC)c1nc(-c2ccccc2)c[nH]1 58394254 SIWHYZCBEUZRHN-CYBMUJFWSA-N 314.389 2.170 0 40 DEAB CC(C)[C@H](C)NC(=O)CNC(=O)c1cc(-c2ccccc2)on1 58343400 SQOZPKPQLWIEOV-LBPRGKRZSA-N 315.373 2.232 0 40 DEAB CC1CCN(CCNC(=O)Nc2ccc(N(C)C)nc2)CC1 48087807 ZQACSXQPTAQDFP-UHFFFAOYSA-N 305.426 2.001 0 40 DEAB Cn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1C1CC1 8013204 XAZXYBCMBTVEDX-UHFFFAOYSA-N 319.415 2.283 0 40 DEAB COC[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 48251792 CXRUELIPTBRHER-OLZOCXBDSA-N 317.393 2.005 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2nc(-c3ccoc3)no2)c1 70038465 DEPGBNRJEWELEL-CQSZACIVSA-N 313.361 2.499 0 40 DEAB CN(C)[C@H](CNc1cncc(-n2cccn2)n1)c1cccs1 69488063 OOQIUWBYQWIGMJ-GFCCVEGCSA-N 314.418 2.439 0 40 DEAB CC(C)Nc1nnc(Sc2ncnc3c2cnn3C)s1 14140328 XZEYCTFBHDZXAA-UHFFFAOYSA-N 307.408 2.186 0 40 DEAB CN(Cc1cccc(OC(F)F)c1)S(=O)(=O)N1CCCC1 65612905 WKZHSNZBIKJPNE-UHFFFAOYSA-N 320.361 2.060 0 40 DEAB Cc1ccc(OCc2cccc(S(=O)(=O)N(C)C)c2)cn1 69892992 QFDZIZCVVXAOCL-UHFFFAOYSA-N 306.387 2.219 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)Nc2ccc(Cl)cn2)c1 69894865 MZYBLAZOSNDODG-RYUDHWBXSA-N 321.812 2.418 0 40 DEAB C[C@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)NC1CC1 5830779 KNELSHLEIOVGOT-LURJTMIESA-N 303.692 2.442 0 40 DEAB Cc1ccc2c(CC(=O)NCC(=O)NC(C)(C)C)coc2c1 15175840 QYWNQMMRVHCYQK-UHFFFAOYSA-N 302.374 2.315 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cn1 69900075 DDDSXMHZHCREOB-AWEZNQCLSA-N 300.362 2.154 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1Cc1nc(-c2ccsc2)no1 7297715 NCQGBMOVSIXVOK-UHFFFAOYSA-N 318.358 2.163 0 40 DEAB CCC(C)(C)NCC(=O)NCC(=O)Nc1c(C)cccc1C 8705716 TYXRNVQRZXEVID-UHFFFAOYSA-N 305.422 2.136 0 40 DEAB CO[C@@H](CNC(=O)NCC1(O)CCC1)c1cccc(Cl)c1 80549572 BOJPOSDQVYDGPG-ZDUSSCGKSA-N 312.797 2.242 0 40 DEAB Cc1nc(-c2cc3c(s2)CCN([C@@H]2CCNC2=O)C3)cs1 93259748 XUNBDBFCEWWFKD-GFCCVEGCSA-N 319.455 2.427 0 40 DEAB CN(C)c1ncncc1NC(=O)NCc1cccc2cccnc12 96008020 ZUNJWFHELKKPAA-UHFFFAOYSA-N 322.372 2.413 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(Cc1ccc(COC)o1)CC2 93613198 NZDRUGZOQOFABD-HOTGVXAUSA-N 309.406 2.178 0 40 DEAB Cc1cccc(OCCC(=O)OCC(=O)Nc2cc(C)on2)c1 9453515 OJQNSDGBCLYBSD-UHFFFAOYSA-N 318.329 2.242 0 40 DEAB Cc1nn(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)c1Cl 71796727 HSBNIPDKRHCGSH-CYBMUJFWSA-N 321.812 2.251 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cccn3ccnc23)n1 71870293 GSBLFBHJAOFEGW-HNNXBMFYSA-N 323.400 2.452 0 40 DEAB CC(C)c1ccsc1C(=O)NC[C@@](C)(O)c1cnn(C)c1 72295035 WLBLFMLBMHPYQX-OAHLLOKOSA-N 307.419 2.243 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccc(F)cc1 72242225 MPFCEZKDSGBJFR-AAEUAGOBSA-N 319.361 2.440 0 40 DEAB Cc1cnn(CCC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c1 72234109 YWQNCIZBMFWLQK-OAHLLOKOSA-N 315.421 2.296 0 40 DEAB COc1cc(CN2CCCC[C@@H]2C(N)=O)ccc1OC(C)C 97032544 VDBCXWSHIQDAKA-CQSZACIVSA-N 306.406 2.322 0 40 DEAB Cc1ncn(C[C@H](O)COc2ccccc2C(C)C)c(=O)c1C 97238484 ADVHXFAVZSSWFE-HNNXBMFYSA-N 316.401 2.423 0 40 DEAB Cn1cncc1CCNc1ccc2nnc(-c3ccccc3)n2n1 97373479 HOUOVBLMTHQPML-UHFFFAOYSA-N 319.372 2.179 0 40 DEAB CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCC1CCCC1 97362750 HQUZZUKDLYMTOU-UHFFFAOYSA-N 308.344 2.436 0 40 DEAB C[C@H](NC(=O)N[C@@H](C)[C@H](C)CO)c1cccc(-n2ccnc2)c1 84640251 VVNYMHUJPVGLEC-RDBSUJKOSA-N 316.405 2.249 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)c1c(C)nn(C)c1OC 95396443 JCBZAOGXAYGZML-VIFPVBQESA-N 321.352 2.376 0 40 DEAB Cc1ccccc1CS(=O)(=O)NC[C@H](O)c1ccccc1C 95433113 HIROAVMODJOJRA-KRWDZBQOSA-N 319.426 2.456 0 40 DEAB C[C@H](CO)NC(=O)NCCCO[C@@H]1CCCc2ccccc21 73221238 WVEPKKTYMSJPEF-CZUORRHYSA-N 306.406 2.151 0 40 DEAB C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)NCCC(=O)N(C)C)C1 73742029 MMPPABAEYFMHHT-IUODEOHRSA-N 321.396 2.397 0 40 DEAB COc1ccccc1C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C 95980297 IFISJYNQQCOQQM-CQSZACIVSA-N 315.373 2.249 0 40 DEAB CC(C)(C)n1nc(C(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)cc1C1CC1 95991975 LVQGYHSYIXTXBM-VXGBXAGGSA-N 319.405 2.499 0 40 DEAB C[C@H](NC(=O)N(Cc1ccccc1)CC(C)(C)O)[C@@H]1CCOC1 95987565 QXBQIAWNEIHDNS-GOEBONIOSA-N 320.433 2.394 0 40 DEAB CCC(CC)c1cc(CNC(=O)N2CCN(CC)CC2)on1 74707663 JKVOGQYISJFXBW-UHFFFAOYSA-N 308.426 2.425 0 40 DEAB COC[C@H](O)CNc1ccc2cccc(Br)c2n1 89409745 PCPMOFHEZXVXRN-SNVBAGLBSA-N 311.179 2.417 0 40 DEAB Cc1nn2c(S[C@@H]3CCc4ccc(F)cc43)nnc2nc1O 75093484 CQOWBSKXCLPEQE-LLVKDONJSA-N 317.349 2.452 0 40 DEAB CC(C)Cn1ncnc1CN1CCc2ccccc2[C@H]1CO 182885157 OAISDIYEZWTDKL-MRXNPFEDSA-N 300.406 2.026 0 40 DEAB O=C(c1ccccc1F)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070932 BYNWNSPFVZKHAP-QGZVFWFLSA-N 324.355 2.408 0 40 DEAB c1nc(CC[C@@H]2CCCCN2)cc(NCC2CCOCC2)n1 72365440 XOWVKOROTBDFFE-HNNXBMFYSA-N 304.438 2.390 0 40 DEAB Cn1c(C(=O)O[C@H]2CCS(=O)(=O)C2)ccc1-c1ccccc1 76906807 DFJSQCXTGHWGLZ-ZDUSSCGKSA-N 319.382 2.036 0 40 DEAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccncc1 76215573 ZUCSLVKYNGQUNP-INIZCTEOSA-N 323.352 2.410 0 40 DEAB Cc1ccccc1C(=O)N[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1 72321732 SKIFVFWVFBVSMY-BRSBDYLESA-N 311.381 2.003 0 40 DEAB biogenic,in-vitro CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 42646565 CFESDTZBULSNBK-AWEZNQCLSA-N 304.390 2.218 0 40 DEAB O=C(/C=C/c1cccs1)N1CC[C@H](Oc2cccnn2)C1 225410046 LSFXRUKUBYEZER-FYJFLYSWSA-N 301.371 2.231 0 40 DEAB O=S(=O)(NCCCn1cnc2ccccc21)C1CCCC1 223449698 KTSWYPWQDJCSCY-UHFFFAOYSA-N 307.419 2.288 0 40 DEAB CN(Cc1cc(Br)cs1)C(=O)C(C)(C)CN 133050558 VZDCUILQTHDIGX-UHFFFAOYSA-N 305.241 2.454 0 40 DEAB c1cncc(N2CCO[C@@H]3CCN(Cc4ccc[nH]4)CC[C@H]32)c1 96249424 AODWECBXTYRADR-QZTJIDSGSA-N 312.417 2.280 0 40 DEAB CC[C@H](NC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(F)cc1F 96415288 CDTQYPZTMCIMCY-ZANVPECISA-N 313.348 2.192 0 40 DEAB CC[C@H](N)C(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1 97228778 FXVGPEGAQUNXNM-AWEZNQCLSA-N 310.344 2.123 0 40 DEAB Fc1ccc2ncnc(N3CCN(Cc4ccccn4)CC3)c2c1 96453284 PSIBQBBPPGXHHO-UHFFFAOYSA-N 323.375 2.486 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CC[C@@H]2[C@@H](CCN2CC2CC2)O1 96065363 QRZVNMQYQULXLT-OAGGEKHMSA-N 301.390 2.052 0 40 DEAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cc[nH]n1 96432937 PPRKCHZAJRVIFL-UHFFFAOYSA-N 313.405 2.183 0 40 DEAB Cn1c(CNC(=O)c2cc(-c3ccco3)n[nH]2)nc2ccccc21 96223990 PMHLZDRMGCUTQN-UHFFFAOYSA-N 321.340 2.486 0 40 DEAB c1ccc(OCCN2CCOC[C@@H]2CCc2cnccn2)cc1 257215853 CRYFPAKUYWLCAM-KRWDZBQOSA-N 313.401 2.189 0 40 DEAB CC(C)Cc1cc(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)n(C)n1 257322479 WGDIAUGVCUDMRM-KYJSFNMBSA-N 319.449 2.384 0 40 DEAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 257310733 UGHKGRZPMLATEP-AWEZNQCLSA-N 311.341 2.491 0 40 DEAB CO[C@@H]1CC[C@@H](N(C)C(=O)CCc2c[nH]c3ccccc23)[C@H]1O 585183676 CFLBYQDZXFFOFK-JFIYKMOQSA-N 316.401 2.097 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](n2cccn2)C1 69371240 IMHYGAIXERCIBI-OAHLLOKOSA-N 323.400 2.405 0 40 DEAB O=C1CNC(=O)N1CCSc1nc2ccc(Cl)cc2o1 69566408 VLTNTPVZMJZIRP-UHFFFAOYSA-N 311.750 2.125 0 40 DEAB CC(C)CCc1nc(CN2CCN(C[C@@H](C)O)CC2)cs1 69773675 RXGQNMVTKFHCPB-CQSZACIVSA-N 311.495 2.230 0 40 DEAB CC(C)c1cc(NC(=O)CN2CCC[C@H]2Cn2cccn2)on1 71875611 MDUCXASEYCACGQ-ZDUSSCGKSA-N 317.393 2.098 0 40 DEAB c1ccc(-n2ncnc2[C@@H]2COCCN2c2nccs2)cc1 893737185 UFYOCGAAMGMJMU-ZDUSSCGKSA-N 313.386 2.302 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CC[C@H](S(=O)(=O)c2ccccc2)C1 96025384 CILHBRIHWUTPAJ-ZBFHGGJFSA-N 319.426 2.418 0 40 DEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cn2ccccc2n1 37132497 KWHUFFOKVFBMJL-PXAZEXFGSA-N 323.352 2.179 0 40 DEAB COc1ccccc1NC(=O)N[C@H]1CCN(C2CCOCC2)C1 1202132931 ZFDOATAQSBLZDK-ZDUSSCGKSA-N 319.405 2.070 0 40 DEAB O=C(O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 12157301 NOXXXUOPFLKLJB-XJKSGUPXSA-N 306.337 2.163 0 40 DEAB Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccn1 16756037 RVHJDJLDMCCTRB-UHFFFAOYSA-N 323.385 2.223 0 40 DEAB Cc1nn(CCCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1Cl 18067280 OLIKPFBYKOTNGF-VXGBXAGGSA-N 309.797 2.410 0 40 DEAB Cc1ccnn1C[C@@H](C)C(=O)N[C@@H](C)CN1CCCCCC1 19238335 HBOOJLVCAFVFDF-CABCVRRESA-N 306.454 2.208 0 40 DEAB CN(C)C(=O)[C@]1(C)CCCN1C(=O)CCc1ccc(F)cc1 19746499 PECYSJMSMPVDMD-KRWDZBQOSA-N 306.381 2.228 0 40 DEAB Cn1cccc1[C@H]1COCCN1C(=O)[C@H]1COc2ccccc21 164039244 XMWZSWWFDUCVLN-GOEBONIOSA-N 312.369 2.101 0 40 DEAB CC[C@H](CO)NC(=O)C1(C)CCN(Cc2ccccc2)CC1 157346279 PGVLSHMREHBACH-MRXNPFEDSA-N 304.434 2.176 0 40 DEAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)[C@H]1CC=CCC1 1888854695 ROCGZKQLXBETLC-RDJZCZTQSA-N 311.385 2.378 0 40 DEAB CSc1nc(C)cc(N2CCN(C(=O)c3ccco3)CC2)n1 1888897931 YGEBKXVPEBFARN-UHFFFAOYSA-N 318.402 2.062 0 40 DEAB CC[C@H](C)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 22415536 HLLQVKCGNSEWOD-QMMMGPOBSA-N 300.284 2.410 0 40 DEAB C[C@H]1CC[C@H](C(=O)N2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)CC1 2055772135 AAZMNMSXFJZKNJ-MIGQKNRLSA-N 304.434 2.140 0 40 DEAB COc1ccc(-n2ccn(Cc3cccc(C)c3)c(=O)c2=O)cc1 20488952 CXJAQUNHCTZRCK-UHFFFAOYSA-N 322.364 2.365 0 40 DEAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2cccnc2)no1 49006332 SIQXMPWKQGMZIA-UHFFFAOYSA-N 317.308 2.345 0 40 DEAB COC(=O)CCC(=O)c1ccc(OCCN2CCCC2)cc1 575358871 HFNOQTKQJHZWLS-UHFFFAOYSA-N 305.374 2.297 0 40 DEAB O=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1cccnc1 575414324 BSSYYAVQNQHMLC-UHFFFAOYSA-N 315.354 2.215 0 40 DEAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CC(n2ccnn2)C1 575611032 RRWSRFKJYZFDLX-UHFFFAOYSA-N 311.320 2.109 0 40 DEAB Cn1cccc(C(=O)N2CCC(Oc3ccsc3)CC2)c1=O 575618927 JWAVRSDYPZBTMC-UHFFFAOYSA-N 318.398 2.130 0 40 DEAB CNC(=O)c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1C 30522241 OXBNBFOMAWCCNU-UHFFFAOYSA-N 306.362 2.184 0 40 DEAB CCOC(=O)c1cc(-c2ccc(N3CCOCC3)cc2)on1 1857794018 VQFOLXRLQXUZLJ-UHFFFAOYSA-N 302.330 2.355 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1 51222 YUHVSUCWWJDOTN-KGLIPLIRSA-N 320.389 2.304 0 40 DEAB Cc1cnc(NC(=O)C2CCN(c3ncccn3)CC2)s1 40527782 YTGWQNGLTWDIGW-UHFFFAOYSA-N 303.391 2.097 0 40 DEAB NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 320313 BIUSMACCWDAWDC-UHFFFAOYSA-N 324.789 2.021 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2ccc3nc(C)sc3c2)CC1 40526424 QGJSYURTYNQSKD-UHFFFAOYSA-N 318.402 2.301 0 40 DEAB CO[P@@](=O)(CN1C(=O)c2ccccc2C1=O)c1ccccc1 1732679 BXRYKYGZAYPUIK-QFIPXVFZSA-N 315.265 2.490 0 40 DEAB Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccnc2)sn1 89608898 JRBVNLAFCCCAPF-SMDDNHRTSA-N 316.386 2.005 0 40 DEAB CCC(=O)c1ccc(OCC(=O)Nc2cc(C)nn2C)cc1 29277746 OFLAOFBHKMESKX-UHFFFAOYSA-N 301.346 2.339 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCCc1ccccc1 6728730 SXLCHJRPJHBTEJ-QXSJWSMHSA-N 301.386 2.482 0 40 DEAB CC(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 6769558 FCBRTROHMLAUDJ-UHFFFAOYSA-N 312.325 2.214 0 40 DEAB O=C(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@@H]1O 52000911 GPZQRLZBTJMJNY-STQMWFEESA-N 312.207 2.411 0 40 DEAB CCCCCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324568 XMFLMBHAMVDANA-GFCCVEGCSA-N 324.446 2.317 0 40 DEAB CCCCC[C@@H](C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102402426 SESCMGRBUCJOFZ-MCIONIFRSA-N 306.406 2.023 0 40 DEAB CC[C@](C)(NC(=O)[C@@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC 69599456 JSPIPRGUYBYIML-CPUCHLNUSA-N 305.374 2.257 0 40 DEAB CONC(=O)c1cc(N2CCCC2=O)cc(C(F)(F)F)c1 69559871 WVOLPCXSYPROHI-UHFFFAOYSA-N 302.252 2.123 0 40 DEAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC(=O)Nc1ccccc1)C2=O 54645033 ATUUFPRIZTZZKL-SCLBCKFNSA-N 314.385 2.436 0 40 DEAB COc1cc2c(cc1OC)C(=O)N[C@@H](c1cccc(O)c1)N2 69098470 IDZFCDLMQSQFAA-HNNXBMFYSA-N 300.314 2.264 0 40 DEAB CCN(CC)C(=O)N1CCN(c2ncnc3sccc23)CC1 42100014 VKGHGPAJOSRNKT-UHFFFAOYSA-N 319.434 2.275 0 40 DEAB O=C(NCCNc1nc2ccccc2s1)NC[C@@H]1CCOC1 47008785 ZPDFXZMNKMCETA-NSHDSACASA-N 320.418 2.044 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100356989 JUPLTXLFKCSXMZ-JMSVASOKSA-N 308.403 2.112 0 40 DEAB Cc1cccc(OCCCNC(=O)c2ccc(C(N)=O)cc2)c1 12397669 XTHPLUSPWOUKBV-UHFFFAOYSA-N 312.369 2.293 0 40 DEAB Cc1cc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1NS(C)(=O)=O 100452134 MHWQBAXJGBRZTJ-JMSVASOKSA-N 322.430 2.285 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 24259655 XDDOMWSYPMTDLU-UHFFFAOYSA-N 311.403 2.474 0 40 DEAB C[C@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)CCO1 24574162 JPUNVPSQJNNWCN-LBPRGKRZSA-N 317.414 2.469 0 40 DEAB CCN1C[C@@H](CN(C)c2nc(C)nc3sccc23)CC1=O 55133144 ZTMUAUDUFTVINE-LLVKDONJSA-N 304.419 2.304 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCCC1=CCCCC1)CS2 25969493 MNIIXSDPKVFKMK-XJKSGUPXSA-N 308.447 2.447 0 40 DEAB CCCc1nnc(S)n1CC(=O)Nc1ccc(F)cc1OC 25311201 KNBHHGDHWAIDNK-UHFFFAOYSA-N 324.381 2.306 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)/C=C/c2ccco2)cc1F 26077860 VWHBYHREGDQQFY-VOTSOKGWSA-N 316.332 2.287 0 40 DEAB CC(C)CN(CC(C)C)CN1C(=O)C(=O)N(CC(C)C)C1=O 57394917 RPPNJQUEWMMZHR-UHFFFAOYSA-N 311.426 2.005 0 40 DEAB CC(=O)Nc1cccc(N[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 12514425 CAMOURGHACJTSA-JHJVBQTASA-N 319.405 2.081 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)NCC1(O)CCC1 89794430 FAPQEISSXNHGNE-AWEZNQCLSA-N 321.421 2.021 0 40 DEAB O=C(c1ccc(OCC2CC2)cc1)N1CCN(C2CC2)CC1 89781042 QMQIMZSVSVXASH-UHFFFAOYSA-N 300.402 2.396 0 40 DEAB O=C(O)C[C@H](NC(=O)CCn1cccn1)c1ccccc1Cl 44935031 BNJOQGPSLYCZHV-ZDUSSCGKSA-N 321.764 2.259 0 40 DEAB Cc1nc(CNC(=O)N2CCN(Cc3ccco3)CC2)cs1 44967360 YRANWIVFEHZMDF-UHFFFAOYSA-N 320.418 2.072 0 40 DEAB Cn1cnnc1CNC(=O)c1cc(-c2cccc(Cl)c2)no1 58329018 PZVLNLRJXSEEQY-UHFFFAOYSA-N 317.736 2.054 0 40 DEAB O=C(Nc1ccccc1)N1CCN(C(=O)N2CCCCC2)CC1 10465286 USXKUSJUFBEMSL-UHFFFAOYSA-N 316.405 2.442 0 40 DEAB O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1c1cccs1 45388760 RAIMKQJVYVNNKI-NSHDSACASA-N 317.418 2.333 0 40 DEAB CN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccccc1 17334646 STELYHNSOFOVMO-UHFFFAOYSA-N 311.385 2.144 0 40 DEAB C[C@H](Cc1ccc2c(c1)OCO2)c1cn(CCCCO)nn1 91756481 UPIYNSLETPFBRH-GFCCVEGCSA-N 303.362 2.126 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 3410365 FQPQBYQPTGBKAM-RISCZKNCSA-N 317.385 2.440 0 40 DEAB O=C(Cn1ncn(-n2cccc2)c1=S)Nc1ccccc1F 16807260 YDXIZLDAAGNBQB-UHFFFAOYSA-N 317.349 2.305 0 40 DEAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 12975051 AUAFSYLXGBFGSG-UHFFFAOYSA-N 311.341 2.436 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1OCC(F)F 69699113 WJVWFBYQDBCCOJ-JTQLQIEISA-N 312.316 2.056 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)Cn2nc(C)cc2C)cc1 17732619 ULGGRZHRXSXFSB-CQSZACIVSA-N 315.373 2.379 0 40 DEAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCCC(=O)O 3887539 XUNXKZAKYDYDSX-UHFFFAOYSA-N 313.419 2.436 0 40 DEAB CCCCS(=O)(=O)N1CCN(Cc2ccc(F)cc2)CC1 13320001 PXSVSEXCJOMHPO-UHFFFAOYSA-N 314.426 2.073 0 40 DEAB O=C(CCNc1ncccn1)NCCc1ccc(Cl)s1 49348923 DRFPPGMRSKRYIY-UHFFFAOYSA-N 310.810 2.352 0 40 DEAB CCN(Cc1ccccc1)C(=O)Cn1cnc2ccccc2c1=O 6086753 BSLFTASAAOBSRN-UHFFFAOYSA-N 321.380 2.445 0 40 DEAB Nc1nccnc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69461332 RJEWKAFKLZDVII-MWLCHTKSSA-N 322.290 2.364 0 40 DEAB O=C1CC[C@@]2(C(=O)NC34CC5CC(CC(C5)C3)C4)SCCN12 5262189 BABZXFPABCVSQL-ZZTCSTBXSA-N 320.458 2.137 0 40 DEAB CCNC(=O)NC(=O)[C@@H](Sc1nccn1C)c1ccccc1 5359778 DYDCSZCRCHDAAD-LBPRGKRZSA-N 318.402 2.099 0 40 DEAB CCCNC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 14186468 CHBSANDFGRNJNC-UHFFFAOYSA-N 319.430 2.322 0 40 DEAB CCC[C@H](C)NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 5705896 BSFXJVGHKDRBBJ-WMADIVHISA-N 319.357 2.277 0 40 DEAB Cc1cnn(C[C@@H]2CN(c3ncnc4sccc34)CCO2)c1 69877373 ADIMMKRMCRYMBA-LBPRGKRZSA-N 315.402 2.102 0 40 DEAB Cc1cc(C)n([C@H]2CC(=O)O[C@@H]2COC(=O)c2ccccc2)n1 14987682 OPUXBKGGQYWSDV-LSDHHAIUSA-N 314.341 2.214 0 40 DEAB O=C(c1cc2cc(F)ccc2oc1=O)N1CCCC[C@@H]1CCO 90165707 BZDXRPUZHNJAKR-CYBMUJFWSA-N 319.332 2.309 0 40 DEAB O=C(COC(=O)Cc1cccc(F)c1)NCc1ccc(F)cc1 7491807 MUIJMCIHASGTGK-UHFFFAOYSA-N 319.307 2.367 0 40 DEAB CC[C@H](Oc1cc(C)ccc1C(N)=O)C(=O)Nc1cc(C)on1 9337606 LZMSBCJLSYYJTK-LBPRGKRZSA-N 317.345 2.186 0 40 DEAB Cc1noc([C@H](C)Sc2nncn2CCc2ccccn2)n1 71804115 NZTFOFALAAADOW-JTQLQIEISA-N 316.390 2.461 0 40 DEAB CC1(C)NC(=O)N(C[C@@H](O)c2ccccc2C(F)(F)F)C1=O 71821836 SEJNCWGAWCQALH-SNVBAGLBSA-N 316.279 2.069 0 40 DEAB NC(=O)COc1ccc(OCc2ccn(-c3ccccc3)n2)cc1 72292458 NINKAKVRPRCIEQ-UHFFFAOYSA-N 323.352 2.315 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 72235478 YINAJEVJFCOQRG-CQSZACIVSA-N 306.410 2.018 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](CC(N)=O)C1CC1 72297857 VBOIDIYTHURYBW-QGZVFWFLSA-N 323.396 2.441 0 40 DEAB CNC(=O)[C@H](Cc1ccccc1)Nc1cccc(NC(C)=O)c1 97085741 PPTSUHMPXUSUFQ-KRWDZBQOSA-N 311.385 2.414 0 40 DEAB O=C(NS(=O)(=O)c1cccc2cnccc12)c1ccsc1 69594749 NNUSGCPMIUUAJV-UHFFFAOYSA-N 318.379 2.415 0 40 DEAB O=C(C/C=C/c1cccc(F)c1)NC[C@@H]1CC(=O)N(C2CC2)C1 97079992 PWAGJFLUMOUMDG-PMUGQKEBSA-N 316.376 2.356 0 40 DEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@@H]([C@@H](C)O)C1 97107878 NDAKMVHBXKRREY-JHJVBQTASA-N 310.369 2.005 0 40 DEAB O=C(NCCOCC(F)(F)F)NC1Cc2ccccc2C1 97140161 LIFYRQZRWKUHOJ-UHFFFAOYSA-N 302.296 2.032 0 40 DEAB CC[C@@H]1C[C@H](C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)CCO1 97109407 MRFGGMKKTZDEQT-NXEZZACHSA-N 319.336 2.206 0 40 DEAB COc1ccc(O)c(NC(=O)Cn2cnc3c2CCCC3)c1 97114158 YZTMPTVZWMYUTL-UHFFFAOYSA-N 301.346 2.115 0 40 DEAB O=C(CCn1cncn1)Nc1cccc(Oc2ccccn2)c1 72303811 QVNXBYRVGIICML-UHFFFAOYSA-N 309.329 2.494 0 40 DEAB CC(=O)c1cc(Br)ccc1NCC(=O)NC1CC1 97371499 DRAPSQMANIELLH-UHFFFAOYSA-N 311.179 2.342 0 40 DEAB Cc1ccc(Br)cc1C(=O)N1CC[C@H](C(=O)O)C1 87742016 QNXNGYGGALVBLH-VIFPVBQESA-N 312.163 2.304 0 40 DEAB Cc1ccc(CC(=O)Nc2cccc(N3CCCNC3=O)c2)cn1 76066952 OGTUNQCQECFINX-UHFFFAOYSA-N 324.384 2.491 0 40 DEAB O=C(CN1CCC[C@@H]1C[C@@H](O)c1ccccc1)NCC1CCC1 76108103 CRKKRXWKDUHPPZ-QZTJIDSGSA-N 316.445 2.491 0 40 DEAB COc1nc(C(=O)N2CCC[C@H](OC)C2)cc2ccccc12 76244175 HDXCPEFADRKWLF-ZDUSSCGKSA-N 300.358 2.494 0 40 DEAB Cc1[nH]ccc1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95435084 JACCICRYZFZYLZ-UHFFFAOYSA-N 323.400 2.157 0 40 DEAB O=C(C=C1CCC1)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 88237435 HDFKOBXEEYFSKW-CYBMUJFWSA-N 306.312 2.297 0 40 DEAB C[C@@H](OC(=O)CN1CCOCC1)c1cnc2ccccc2c1 95943883 VOOQGHFEENWWPD-CYBMUJFWSA-N 300.358 2.171 0 40 DEAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCC(Nc2cccnn2)CC1 75129210 VKUFAXWWWBZTJH-HZPDHXFCSA-N 323.400 2.078 0 40 DEAB O=C(NCCCCc1ccccc1)C(=O)NCCc1ccccc1 408707110 JUIMEHJNYWLLFI-UHFFFAOYSA-N 324.424 2.484 0 40 DEAB COc1cc(C=O)ccc1OCN1C(=O)c2ccccc2C1=O 408599854 MTYKXLPZAXSREV-UHFFFAOYSA-N 311.293 2.140 0 40 DEAB COc1cc(N[C@@H]2CCCN(c3ccccc3)C2=O)nn1C 547812215 BMUZXSOXQCPLRY-CYBMUJFWSA-N 300.362 2.036 0 40 DEAB CCCn1c(N2CCC[C@H](C)C2)nc2c(C)nn(C)c2c1=O 32652943 SXSNAHKDDOJDNK-NSHDSACASA-N 303.410 2.085 0 40 DEAB O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(=O)[nH]c2)s1 72243455 BGTVYXNOIIYYRI-LLVKDONJSA-N 304.371 2.012 0 40 DEAB O=C(OCCN1CCCCC1)c1cc2ccccc2oc1=O 36627515 UIOWLDZBDAJJQY-UHFFFAOYSA-N 301.342 2.436 0 40 DEAB CC(=O)c1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1 32647016 BEMJZKDIZRWJOL-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB CCn1nc(C)c(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1C 72395126 ZRISQMFMYTXVCQ-RHSMWYFYSA-N 318.421 2.164 0 40 DEAB O=C(CSc1cc(N2CCOCC2)ncn1)c1cccs1 36708476 PLOYGOIZUFTFJG-UHFFFAOYSA-N 321.427 2.350 0 40 DEAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCS(C)(=O)=O)C1 78183979 ZSGUCQASVALHQE-KBPBESRZSA-N 309.431 2.134 0 40 DEAB CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2C)CC1 74960095 NIKQKWJUUQGPBP-UHFFFAOYSA-N 304.390 2.147 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(Cn2ncc3c2c(C)nn3C)o1 41123744 VQKIPAMFYVMGPX-SNVBAGLBSA-N 315.377 2.248 0 40 DEAB COCCC(=O)N1CCN(Cc2ccc(Cl)cc2F)CC1 225600392 YZZIQSVCPKFRST-UHFFFAOYSA-N 314.788 2.160 0 40 DEAB Cc1noc([C@H]2CCCCN2S(=O)(=O)Cc2ccccc2)n1 40714846 VSMOXXBEKCKNIR-CQSZACIVSA-N 321.402 2.435 0 40 DEAB COc1cccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)c1 224292731 POKQKWUNIBLVRA-UHFFFAOYSA-N 300.362 2.420 0 40 DEAB O=C(/C=C/c1cccs1)N1CC[C@@H](Oc2cccnn2)C1 225410079 LSFXRUKUBYEZER-BTDICHCPSA-N 301.371 2.231 0 40 DEAB Cc1occc1S[C@H](C)C(=O)NC(=O)NCC(F)(F)F 131425560 FCYYHGJYLKCOPM-SSDOTTSWSA-N 310.297 2.457 0 40 DEAB CC(C)[C@@H]1CN(C(=O)c2ccc3c(c2)nc(O)n3C)CCCO1 572558240 YROUYVLPESFYNS-HNNXBMFYSA-N 317.389 2.166 0 40 DEAB c1cncc(COC[C@]23COC[C@H]2CN(Cc2ccoc2)C3)c1 96208765 OGDULUJIVFHWEV-QZTJIDSGSA-N 314.385 2.340 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)CC(=O)c1cccs1 95435144 VZMRHLUFUMKNDR-SECBINFHSA-N 305.403 2.490 0 40 DEAB CC1(Cn2ncc3c(Br)cccc3c2=O)COC1 95097291 ZLRRDKDKBXJRBV-UHFFFAOYSA-N 309.163 2.196 0 40 DEAB C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC[C@@H](O)C1 96424236 SPUYNUZUKFYIFP-GXFFZTMASA-N 307.781 2.441 0 40 DEAB c1nc2c(c(NC3CCC3)n1)CCN(CC1CCOCC1)CC2 96255784 HYZQCADLYBGPQZ-UHFFFAOYSA-N 316.449 2.268 0 40 DEAB O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@H]1c1cn[nH]c1 97234326 YUANFILFFFVBGA-CVEARBPZSA-N 317.437 2.131 0 40 DEAB CNCC(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1OC 252478738 AUDYSBZVFAKOQN-GOSISDBHSA-N 314.385 2.129 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257259530 KYTQQKOGZSTCIQ-LBPRGKRZSA-N 315.421 2.379 0 40 DEAB Cc1cncc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257254424 KCZHPZYJXAVICR-OAHLLOKOSA-N 300.362 2.296 0 40 DEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 257251477 JQYFSMUJYVIXJB-AWEZNQCLSA-N 316.405 2.347 0 40 DEAB CCCn1cc(-c2cnc([C@@H]3CCCN(C(C)=O)C3)cn2)cn1 257223080 DVUMOIIFRQMYAU-CQSZACIVSA-N 313.405 2.476 0 40 DEAB CO[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)[C@H](CN)C1 252585413 IJTHJZDBAILCTL-OUAUKWLOSA-N 316.854 2.470 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)c2c(C)noc2C)nc(C)n1 257250577 JNBYOOKKEGHPQL-ZDUSSCGKSA-N 315.377 2.409 0 40 DEAB CCc1nn(C)c(CC)c1CC(=O)N1CCC[C@H]1c1ccn[nH]1 287066183 MLXFPVSBGVXPEU-INIZCTEOSA-N 315.421 2.174 0 40 DEAB CCC1CCC(NC(=O)C(=O)NCc2cccc(OC)c2)CC1 298080765 CMSNMNNLVWGQHA-UHFFFAOYSA-N 318.417 2.396 0 40 DEAB O=C(c1cccc2cnccc12)N1CCC(F)(F)[C@H](CO)C1 291340081 VDCRWZFYLKONKC-LBPRGKRZSA-N 306.312 2.325 0 40 DEAB COCC[C@H]1CO[C@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@@H]12 575405363 SIHZWNWIIOZFAO-ZQIUZPCESA-N 314.385 2.291 0 40 DEAB O[C@]1(COc2ccc(F)cc2)CCCN(C2CCOCC2)C1 585269148 KMTZISPHUVFGMW-QGZVFWFLSA-N 309.381 2.210 0 40 DEAB CC(C)(C)c1nnc([C@H]2CCN(C(=O)c3ccncc3)C2)o1 49170827 HZMMZCKCLNTHDE-LBPRGKRZSA-N 300.362 2.392 0 40 DEAB biogenic,in-vitro Cn1cnnc1-c1ccccc1NC(=O)[C@@H]1Cc2ccccc2O1 68726943 YQYLDJWIRIMHDL-INIZCTEOSA-N 320.352 2.424 0 40 DEAB CC1(COC(=O)c2ccc(NC(=O)NC3CC3)cc2)COC1 66522480 BYUPJJSNJQXFOC-UHFFFAOYSA-N 304.346 2.164 0 40 DEAB O=S(=O)(N[C@H]1CCCc2cn(C3CCCC3)nc21)C1CC1 96002795 SSFSLSIFEBIYGJ-AWEZNQCLSA-N 309.435 2.457 0 40 DEAB Fc1ccc2ncnc(N3CCN(C[C@@H]4CCCO4)CC3)c2c1 75094669 ZVOKKDRTMLWJLD-AWEZNQCLSA-N 316.380 2.070 0 40 DEAB CNC(=O)Cc1ccc(NC(=O)NCc2ncc(C)s2)cc1 76069538 PHPXLFKMUHIOLO-UHFFFAOYSA-N 318.402 2.062 0 40 DEAB Cc1occc1C(=O)OC[C@@H]1CNC(c2ccccc2)=NO1 79063045 ZJCQBAVCIWNTAQ-ZDUSSCGKSA-N 300.314 2.095 0 40 DEAB CC(C)(C)OC(=O)n1c(=O)[nH]c2cc(Br)cnc21 80443817 SBWRCBWUEGILPU-UHFFFAOYSA-N 314.139 2.270 0 40 DEAB O=C(NC[C@@H]1CCCNC1)c1ccc(F)c(Br)c1 195542811 IKQIGLRVGNNHEV-SECBINFHSA-N 315.186 2.318 0 40 DEAB O=C1CC[C@H](C(=O)N(Cc2ccccc2)Cc2ccco2)CN1 84535728 TVXYOUXJKZPCCQ-HNNXBMFYSA-N 312.369 2.335 0 40 DEAB O=C(O)[C@H]1Cc2nc[nH]c2[C@H](c2cccc(C(F)(F)F)c2)N1 5067254 BLNDRSXCSGTSNA-MNOVXSKESA-N 311.263 2.117 0 40 DEAB C[C@H]1NC(=S)N(c2ccc3c(c2)nc2n3CCCCC2)C1=O 12539034 JUOSULPNHREMCD-SNVBAGLBSA-N 314.414 2.372 0 40 DEAB O=S(=O)(c1ccc(F)c(F)c1)n1cc(Br)cn1 17056383 INIZWZFWHBQWIO-UHFFFAOYSA-N 323.118 2.161 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2C)c1 18940938 HOEXVIJJPQIDLX-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB CCCCC(=O)NC(=S)Nc1cc(C)c(O)c(C(=O)O)c1 20151303 TZWSLYKGLDREII-UHFFFAOYSA-N 310.375 2.402 0 40 DEAB Cc1cc(N2CCC[C@@H](COc3ncccn3)C2)n2nccc2n1 1888869976 AGEYPZLJVXYNCJ-CQSZACIVSA-N 324.388 2.123 0 40 DEAB Brc1cnc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)nc1 1889064726 RWIQDVBTYGYGNE-PHIMTYICSA-N 323.238 2.160 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@]1(O)CCCc2sccc21 1889089360 GCBULRBYWRJCED-HNNXBMFYSA-N 306.387 2.307 0 40 DEAB Cc1cccc(OC[C@@H]2CCCN(Cc3nnc(C)o3)C2)n1 1849304518 JLCCIISDANJCGD-CQSZACIVSA-N 302.378 2.372 0 40 DEAB CSCCC(=O)N1CCC(c2nnc3ccccn23)CC1 28738364 QGYHXHDHVJENJJ-UHFFFAOYSA-N 304.419 2.188 0 40 DEAB Cn1cnnc1C1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 30584301 XWLJVLMFJDHHRP-UHFFFAOYSA-N 310.401 2.324 0 40 DEAB Cc1ccsc1CN1CCO[C@@]2(CCCCN(C)C2=O)C1 2037980744 HCTNURQIIJPEHY-INIZCTEOSA-N 308.447 2.270 0 40 DEAB O=C(Nc1nnc(C2=COCCO2)o1)c1ccc(Cl)cc1 4107233 YVEOEBNKTNAWKZ-UHFFFAOYSA-N 307.693 2.321 0 40 DEAB O=C(/C=C/c1ccco1)NCc1cn(-c2ccsc2)nn1 575618024 GSZPPDHJEJASEP-ONEGZZNKSA-N 300.343 2.251 0 40 DEAB CN(C)CCN(Cc1cccs1)C(=O)c1ccncc1F 96460356 GGVAUUVSMBTZRB-UHFFFAOYSA-N 307.394 2.486 0 40 DEAB O=C1NCCCC[C@@H]1Sc1nncn1CCc1cccs1 11169856 SBDXMQWZULDFAV-LBPRGKRZSA-N 322.459 2.343 0 40 DEAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(-n2cccn2)nc1 31728670 BSOSRCIUQBTVEQ-VIFPVBQESA-N 314.267 2.173 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NCc1nnc2n1CCC2 32059128 ZZSNXRHFADDLDU-UHFFFAOYSA-N 305.407 2.043 0 40 DEAB Cc1cccc(CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1 101167586 IVSYLHPMOQHMOO-HOTGVXAUSA-N 320.352 2.488 0 40 DEAB Nc1n[nH]c(-c2ccc(F)cc2)c1I 3676764 KIXVASOFUIPZPU-UHFFFAOYSA-N 303.078 2.403 0 40 DEAB COCC[C@@H](C)NC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 69562302 WADZVBKMTKJBTD-LLVKDONJSA-N 323.368 2.499 0 40 DEAB COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc(C)c1 384709 HUYRMBQWPYSKGW-UHFFFAOYSA-N 300.767 2.399 0 40 DEAB Cc1ccc(C)c(NC(=O)Cn2nc3c(cc2=O)CCCC3)c1 21110227 RLJQRYNVVLXDIG-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB Cc1cnc(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)cn1 69569434 HKBKXPOQIYWMAP-UHFFFAOYSA-N 319.386 2.219 0 40 DEAB Cc1csc(N(C)C(=O)c2cnn(C)c2-n2cccc2)n1 71909372 NRALACLLLYVQMD-UHFFFAOYSA-N 301.375 2.252 0 40 DEAB CC[C@H](C)NC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 28576888 WORDAKFOMDPZFZ-VIFPVBQESA-N 309.801 2.384 0 40 DEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1F 2787028 KNEJGQQPINZFQI-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB Cc1cc(-c2c(C)nn(-c3ccccc3)c2O)n(C(N)=S)n1 100911732 RFKWQUKDRFBLKO-UHFFFAOYSA-N 313.386 2.150 0 40 DEAB COc1cccc(C(=O)Nc2ccc(N(C)C)nc2)c1OC 22396585 PSLLGNRHLSRDDH-UHFFFAOYSA-N 301.346 2.417 0 40 DEAB C[C@H](NC(=O)CCn1cncn1)c1cccc(OC(F)F)c1 46908884 SIGSOQAUGHSZAN-JTQLQIEISA-N 310.304 2.147 0 40 DEAB C[C@@H](O)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)O 37407214 MEORQPXWSFVHNN-LDWIPMOCSA-N 313.762 2.119 0 40 DEAB Cc1nc(CNC(=O)Nc2cc(F)ccc2OC(F)F)no1 89718386 LFJHSTLPYBKQMT-UHFFFAOYSA-N 316.239 2.440 0 40 DEAB O=C(NCC1(c2ccccc2F)CC1)NC[C@@]1(O)CCSC1 89813366 HOUVKRHSNRSDSI-INIZCTEOSA-N 324.421 2.025 0 40 DEAB C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC2(CC1)OCCO2 47496686 DIZYSUQVDMSXTP-RBSFLKMASA-N 310.438 2.003 0 40 DEAB COc1ccc(CCCNC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 56488991 UVEXIIRMPJTNRD-BBRMVZONSA-N 306.406 2.495 0 40 DEAB NC(=O)[C@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1 44011758 FPHVZTVQXVVGHJ-OAHLLOKOSA-N 311.316 2.263 0 40 DEAB C[C@H](CO)NCc1cc(Br)c2c(c1)OCCCO2 35602166 RYFVFVQAKMEUEA-SECBINFHSA-N 316.195 2.081 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1 67940366 HJNTXWIBXTXWOR-LLVKDONJSA-N 317.393 2.498 0 40 DEAB CCCCN1C(=O)C(=O)N(CC(=O)c2cc(C)ccc2C)C1=O 3371698 WAVXQPPQIHGZPP-UHFFFAOYSA-N 316.357 2.077 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)COc1ccccc1 3388617 XZBUJCOPOLKCLQ-UKRRQHHQSA-N 305.374 2.304 0 40 DEAB CC(C)N1CCC[C@@H](CNC(=O)[C@@H]2Cc3ccccc3O2)C1 58393794 IKWUGCLBQXSMFZ-YOEHRIQHSA-N 302.418 2.227 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2)c1O 12909886 HBOJYQTYODAUIA-UHFFFAOYSA-N 301.298 2.196 0 40 DEAB Cc1cnc(N2CCC(Oc3cccnc3)CC2)nc1N(C)C 65385152 JYHNOVIKGQHCRL-UHFFFAOYSA-N 313.405 2.294 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NCCNC(=O)c1ccco1 65408977 WRHOBPFVIPYMTJ-UHFFFAOYSA-N 321.402 2.328 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NCCN1CCCC[C@H]1C 65457652 ZZWDHUWUQLSHQO-GFCCVEGCSA-N 308.426 2.307 0 40 DEAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccco3)cn2)C[C@@H](C)O1 65423617 CXYFVLBAVGTBBS-CHWSQXEVSA-N 315.373 2.218 0 40 DEAB Cc1ccn(-c2cccc(C(=O)N[C@H]3CCc4nccn4C3)c2)n1 65474364 BAXZZXIPDIYCOO-HNNXBMFYSA-N 321.384 2.122 0 40 DEAB CN(CC(=O)Nc1ccccc1)C[C@H]1COc2ccccc2O1 14085873 WNMCHUJUFVRTHL-HNNXBMFYSA-N 312.369 2.397 0 40 DEAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1Cc2ccccc2O1 65550733 OFIHJAJKDZVBJM-SFHVURJKSA-N 319.364 2.492 0 40 DEAB Cn1nnc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)n1 14258555 YTCDUTOXKMOVGX-UHFFFAOYSA-N 303.709 2.376 0 40 DEAB O=S(=O)(c1cccnc1NCC1CCC1)N1CCCCC1 66453024 RANFVJBWBCKKGG-UHFFFAOYSA-N 309.435 2.468 0 40 DEAB CC(C)(O)CN1CCN(C(=O)c2ccc(Cl)cc2F)CC1 69738394 JFVHUUXQPVWNMK-UHFFFAOYSA-N 314.788 2.008 0 40 DEAB Cc1ccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)c(Cl)c1 5962091 YMOOQORCBXGLBP-UHFFFAOYSA-N 320.732 2.077 0 40 DEAB Cn1cnnc1CCNC(=O)c1cc(F)c(Cl)cc1Cl 69896529 XPGVPZHOVRWHPD-UHFFFAOYSA-N 317.151 2.234 0 40 DEAB CCOC(=O)C1=C(CSCc2ccccc2C)NC(=O)NC1 18262046 OIUQKZMJEGWWNG-UHFFFAOYSA-N 320.414 2.358 0 40 DEAB CC[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CCCO1 89942838 LVHICQNPWWITST-GJZGRUSLSA-N 315.377 2.346 0 40 DEAB NC(=O)c1ccc(O[C@H]2CCCN(c3ccccc3)C2=O)cc1 72286189 LGACACYZRPZLCY-INIZCTEOSA-N 310.353 2.360 0 40 DEAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC(=O)C2CC2)C3)cc1 96269248 GRPNXVHWJJRJFM-HNNXBMFYSA-N 311.385 2.284 0 40 DEAB biogenic,in-vitro CC(C)[C@@H](C)CC(=O)Nc1ccc(CNS(C)(=O)=O)cc1 96410238 FYYLGEMYFZBWIE-LBPRGKRZSA-N 312.435 2.357 0 40 DEAB NC(=O)CCN(Cc1ccccc1)C(=O)NCc1ccccc1 71873498 CNWLUCKXDACSRY-UHFFFAOYSA-N 311.385 2.274 0 40 DEAB O=C1NCCN(C(=O)C2CC=CC2)[C@H]1c1ccccc1Cl 97086592 ZTTOKCPGFMLGAY-AWEZNQCLSA-N 304.777 2.306 0 40 DEAB CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc[nH]1 76041710 YUPXTPKKRYQMOL-RYUDHWBXSA-N 307.394 2.438 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1cc(Cl)c(Cl)cn1 72530409 FLCGBMKEZXHMEC-ZETCQYMHSA-N 323.201 2.152 0 40 DEAB Cc1cc(C)cc(CN2C(=O)C[C@@H](Cc3cnn(C)c3)C2=O)c1 72675543 GRZXBHIAUNMQQT-MRXNPFEDSA-N 311.385 2.155 0 40 DEAB CN(C)C1(CNC(=O)c2cccc3c2ccn3C)CCOCC1 78706946 PARLUXNQNBUBFZ-UHFFFAOYSA-N 315.417 2.019 0 40 DEAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N1CCC2(C1)OCCO2 84718090 AYBUXEXEJLSAKK-IUODEOHRSA-N 302.374 2.078 0 40 DEAB O=C(C[C@@H]1COCCN1C(=O)c1ccsc1)c1ccco1 95418254 MNJCOBLLPAMZSP-GFCCVEGCSA-N 305.355 2.455 0 40 DEAB O=C(O)CCN(C(=O)c1ccc2cc[nH]c2c1)C1CCOCC1 95424793 CGJGSRHCLBABDW-UHFFFAOYSA-N 316.357 2.264 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2 95400705 UKGHTZLQBRBSQZ-CABCVRRESA-N 322.405 2.190 0 40 DEAB Cc1cc(C(=O)N2C[C@H](CO)OC[C@@H]2C)c(Cl)cc1F 95450081 IUZUJKSBJGGWFJ-VHSXEESVSA-N 301.745 2.009 0 40 DEAB Cc1ccc(C(=O)NC2(C(=O)O)Cc3ccccc3C2)c(O)c1 95977021 WAZCTAWWOLUMHT-UHFFFAOYSA-N 311.337 2.053 0 40 DEAB O=C(c1cc(-c2ccccc2)ccc1Cl)N(CCO)CCO 95985957 HXORLIMBAWQVTR-UHFFFAOYSA-N 319.788 2.434 0 40 DEAB O=C(N[C@H]1CCO[C@H]1c1ccc(F)c(F)c1)c1cncc(O)c1 95988486 LVQQZCRILUUHAU-GJZGRUSLSA-N 320.295 2.325 0 40 DEAB O=C1NCCN(C(=O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 89273544 HHODLTVIIFDRSX-LBPRGKRZSA-N 312.291 2.115 0 40 DEAB O=C(Cc1ccc(NCc2ccon2)cc1)N1CCSCC1 75093211 SCPZQDKKWJIFOX-UHFFFAOYSA-N 317.414 2.405 0 40 DEAB O=C(NCCNc1nccc(C(F)(F)F)n1)c1ccsc1 75143381 MCESVYXVHGVYKI-UHFFFAOYSA-N 316.308 2.399 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H]2CSCCS2)cc1C 75109573 WEXDHDDQMLYJIB-LBPRGKRZSA-N 317.501 2.430 0 40 DEAB Cc1ccc2cccc(C(=O)Nc3cccc(C(N)=O)n3)c2n1 89665965 JFJXPNJWWIWHFS-UHFFFAOYSA-N 306.325 2.289 0 40 DEAB Cc1sc2ncnc(NCCN3CCC(O)CC3)c2c1C 65406832 CLLWMNMWOAOFLX-UHFFFAOYSA-N 306.435 2.177 0 40 DEAB O=C1C(=O)N(Cc2nc(O)c3ccccc3n2)c2ccccc21 408583118 RRXCHGGQDRDMEF-UHFFFAOYSA-N 305.293 2.065 0 40 DEAB Cc1ccnc(NC(=O)COc2ccc(C)cc2-n2cnnc2)c1 32646703 UTBHKGSMOJBVMO-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB CCn1nc(C)c(NC(=O)c2ccccc2Cl)c1C(N)=O 72265464 SOEYLKGVDRELJO-UHFFFAOYSA-N 306.753 2.216 0 40 DEAB CCN1CCN(CCC(=O)N2CCC[C@@H]2c2ccccc2)CC1 79336604 MLMCVKYJHDTNSI-GOSISDBHSA-N 315.461 2.378 0 40 DEAB C[C@H](CNc1ncccc1C(F)(F)F)N1CCN(C)CC1 78988200 JIDAPEKSELLTOE-LLVKDONJSA-N 302.344 2.148 0 40 DEAB O=C(CN1CCO[C@H]2CCC[C@@H]21)NCc1ccc(Cl)s1 79354334 FLNKHQVCPABJPQ-RYUDHWBXSA-N 314.838 2.271 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)o2)no1 72241092 ZNYCJZSTPCAYNW-LBPRGKRZSA-N 303.318 2.014 0 40 DEAB FC(F)(F)c1ccc(N2CC[C@@H](CN3CCOCC3)C2)nc1 78404763 SRADZMSMCYZJHB-LBPRGKRZSA-N 315.339 2.259 0 40 DEAB COc1cccc(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)c1OC 46882612 IVLABNYEXCOFJT-OKILXGFUSA-N 320.433 2.412 0 40 DEAB OCc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 73634507 WVKRTZXTPGTYCG-UHFFFAOYSA-N 300.265 2.364 0 40 DEAB Cc1nc2cccc(-c3noc([C@H]4CN(C)C[C@@H](C)O4)n3)c2[nH]1 527544419 DWRMXVDILJHZHR-NOZJJQNGSA-N 313.361 2.313 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)O[C@H](C)Cn2cccn2)c1 83796133 HHYIDAOUAUBYLS-SNVBAGLBSA-N 305.309 2.226 0 40 DEAB Cc1ccc(C)c(OCCNS(=O)(=O)c2c(C)noc2C)c1 224048196 OXUTVIKSCYMVOP-UHFFFAOYSA-N 324.402 2.266 0 40 DEAB COc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)cc1C 89895633 IVHBYPOCYSJAPB-HNNXBMFYSA-N 304.390 2.324 0 40 DEAB CCCCC(=O)Nc1cccc(N2C[C@@H](C(=O)OC)CC2=O)c1 45953977 DPRYUMWIRITWFW-LBPRGKRZSA-N 318.373 2.341 0 40 DEAB COc1ccc(NC(=S)NCCCN2CCCC2)cc1OC 225433002 WQDKJJWSXHGMOZ-UHFFFAOYSA-N 323.462 2.476 0 40 DEAB COc1cccc2c1CCC[C@@H]2NC[C@@H](C)N1CCN(C)CC1 194884690 CMRBIFUJNTUGED-QAPCUYQASA-N 317.477 2.298 0 40 DEAB O=C(NCc1ccncc1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96117000 OEEJFPKHJNNDOR-UHFFFAOYSA-N 320.352 2.337 0 40 DEAB O=C(CN1CCC[C@@H]1CCCO)NC1(c2ccccc2)CCC1 96424251 FBOKSFODYIRDMA-QGZVFWFLSA-N 316.445 2.419 0 40 DEAB Cc1cc(CNc2ncc(Cl)cn2)ccc1S(C)(=O)=O 96468179 WGHXOWKIXNXITR-UHFFFAOYSA-N 311.794 2.454 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3ncc[nH]3)CC2)cn1 257330720 XPPUOOAUKSYIMT-ZDUSSCGKSA-N 300.410 2.086 0 40 DEAB CS(=O)(=O)N1CC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257315893 VDEITAHUULDXDJ-LBPRGKRZSA-N 324.377 2.153 0 40 DEAB Cc1cc(N(C)C)cc([C@@H]2CN(c3ccnc(C)n3)CCO2)n1 257250886 JOLFOHIKPXRFNQ-INIZCTEOSA-N 313.405 2.132 0 40 DEAB c1ccc(Nc2nccc([C@@H]3CCN(c4ncccn4)C3)n2)nc1 257275488 NPPKNRMGOPYHCW-CYBMUJFWSA-N 319.372 2.399 0 40 DEAB COc1ccc(C(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1F 257271695 MZKFXAGCEMLAFM-RDJZCZTQSA-N 323.364 2.244 0 40 DEAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1ccccn1 96062048 MZRKLVRNVRPIPR-CQSZACIVSA-N 308.389 2.100 0 40 DEAB O=C(NCCn1ccnc1-c1ncccn1)Nc1ccccc1 96103925 AHLZTOWPTWACHY-UHFFFAOYSA-N 308.345 2.162 0 40 DEAB Cc1csc(C(=O)N2CC[C@@H](Oc3ncc(F)cn3)C2)c1 390828753 UAGDZZICYIYMHT-LLVKDONJSA-N 307.350 2.279 0 40 DEAB Cn1ccc([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1 390828179 AFJUACSNGAOOFI-ZDUSSCGKSA-N 321.384 2.383 0 40 DEAB COCCOCCS(=O)(=O)Nc1ccccc1C(C)C 62121765 FMILMTCKNMUUMY-UHFFFAOYSA-N 301.408 2.215 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cncnc3)C2)c1 585269235 MLWCJRSSFFZNHZ-GOSISDBHSA-N 313.401 2.191 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(NC(N)=O)c1 55580792 UIDJFIACXANJNI-UHFFFAOYSA-N 323.349 2.426 0 40 DEAB COc1ccc(COC[C@H](O)CNC(=O)[C@@H]2CC=CCC2)cc1 58401530 ILYOIIYASSCEMU-HZPDHXFCSA-N 319.401 2.045 0 40 DEAB O[C@@H]1CCCC[C@H]1N1CCC(c2n[nH]c3ncccc23)CC1 72367429 VAPKFEBLNHUDGE-HUUCEWRRSA-N 300.406 2.441 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N[C@@H]2C=C[C@H](CO)C2)no1 81507442 VWBBYWCESGGINY-NWDGAFQWSA-N 314.345 2.104 0 40 DEAB CCOC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC 5717203 PXHSTTWLGRALNN-UHFFFAOYSA-N 301.320 2.198 0 40 DEAB CCn1ccnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 12444566 KXIMHIDVVSNMOE-UHFFFAOYSA-N 320.343 2.144 0 40 DEAB S=C(NCc1ccncc1)Nc1ccc2c(c1)OCCO2 17449852 AZQGKKNHHQDOGH-UHFFFAOYSA-N 301.371 2.339 0 40 DEAB NC(=O)c1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 18078368 YIJCIOHFDLTIGI-UHFFFAOYSA-N 323.352 2.165 0 40 DEAB CCc1nc(CNC(=O)c2cc3cc(F)ccc3n2C)no1 19523181 KRUPJOUWGZCHPQ-UHFFFAOYSA-N 302.309 2.193 0 40 DEAB COCc1nc2ccccc2n1CC(=O)N[C@H](C)c1ccccn1 19658241 PZVSQZTWULFNBF-CYBMUJFWSA-N 324.384 2.455 0 40 DEAB O=C(NCc1cccs1)N[C@@H]1CCN(c2nccs2)C1 206816494 MBTJLFXJXXLPFS-SNVBAGLBSA-N 308.432 2.283 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCCc1ccc([C@H](C)O)s1 225688077 DDTMMEXPXUXDRA-NSHDSACASA-N 307.419 2.124 0 40 DEAB C[C@H]1C[C@H](NC(=O)CCCn2c(=O)oc3ccccc32)CCO1 539896015 SKZMVYOPFIEETB-QWHCGFSZSA-N 318.373 2.058 0 40 DEAB CCn1ccnc1N1CCN(C(=O)c2ccc(C)c(C)c2)CC1 12444553 YVPOMAGKSHKPNO-UHFFFAOYSA-N 312.417 2.482 0 40 DEAB Cc1ccc(-n2ccnc2N2CCN(C(=O)C3CC3)CC2)cc1 12444648 OWYXLBRHSGUUST-UHFFFAOYSA-N 310.401 2.239 0 40 DEAB C[C@H]1CN(C(=O)CCCn2c(=O)oc3ccccc32)[C@@H](C)CO1 40499000 JADFJTYWBQMBNV-STQMWFEESA-N 318.373 2.011 0 40 DEAB O=C(C(=O)N1CC(Oc2cccnc2)C1)c1c[nH]c2ccccc12 238952560 XGHDLKYSTRWJIZ-UHFFFAOYSA-N 321.336 2.035 0 40 DEAB Cc1nccc([C@]2(C)CCCN(c3ncnc4[nH]cnc34)C2)n1 2037844604 ZEDYJYLNDWKYLK-MRXNPFEDSA-N 309.377 2.009 0 40 DEAB CNC(=O)c1ccsc1NC(=O)c1cccc(OC)c1OC 4479373 GTUBPQMUHHLKMZ-UHFFFAOYSA-N 320.370 2.377 0 40 DEAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1nccnc1N 30135148 QTODKKGDZVTQAA-UHFFFAOYSA-N 300.406 2.347 0 40 DEAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 30521826 HOIZOXLQNJHAQD-NEPJUHHUSA-N 316.357 2.042 0 40 DEAB c1csc(CN(Cc2nnnn2C2CC2)C[C@@H]2CCCO2)c1 40497688 HKFWVMOKERTKTI-ZDUSSCGKSA-N 319.434 2.251 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@H](n2cccn2)C1 69351966 NRPFVHKZHWELGA-ZDUSSCGKSA-N 322.368 2.202 0 40 DEAB CCCC(=O)N1CCC[C@H]1C(=O)NCCc1cccc(C)c1 69328318 IRQJUBRKOABKEB-INIZCTEOSA-N 302.418 2.445 0 40 DEAB CC(=O)c1ccc(NC(=O)COc2ccccc2C(N)=O)cc1 444099 ZAITVTPFLKTSRJ-UHFFFAOYSA-N 312.325 2.006 0 40 DEAB COc1cc(CNC(=O)N(C)Cc2cc(C)on2)ccc1O 45612855 RUSQIGVOLPAAFI-UHFFFAOYSA-N 305.334 2.039 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)c1ccc2c(c1)OCCO2 7407508 HMMFZONAHQPDQG-UHFFFAOYSA-N 303.343 2.439 0 40 DEAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCC(n2ccnc2)CC1 83897687 SWRDJZWYQWGPJH-HUUCEWRRSA-N 306.410 2.187 0 40 DEAB Cc1ccc(C(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c(-n2cnnn2)c1C 101674446 NYWQYQQCEYGIPW-SOUVJXGZSA-N 323.400 2.221 0 40 DEAB COc1cccc(COCC(=O)Nc2ccc(OC)nc2)c1 32930980 VQZOVVYWHBZZRO-UHFFFAOYSA-N 302.330 2.254 0 40 DEAB O=Cc1cc(Br)c(I)o1 562706 SNQGKYJCGSGQSR-UHFFFAOYSA-N 300.877 2.459 0 40 DEAB COc1cc(-c2noc(CCC(=O)O)n2)cc(Cl)c1OC 22155166 VXNRWUNQNXYINM-UHFFFAOYSA-N 312.709 2.424 0 40 DEAB COCc1cc(Nc2ccn(-c3ccccc3)n2)n2ncnc2n1 69454554 RWPCROGKUCYVQT-UHFFFAOYSA-N 321.344 2.200 0 40 DEAB COc1ccc(CCC(=O)Nc2nnc(-c3ccccn3)[nH]2)cc1 53524169 JTMMFTKSJJZLSO-UHFFFAOYSA-N 323.356 2.447 0 40 DEAB Cc1nn(Cc2ccccc2F)c(C)c1N1C(=O)CCC1=O 2732625 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96005712 YUAIYQNDYFKFFY-QGZVFWFLSA-N 312.417 2.354 0 40 DEAB C[C@@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)[S@](C)=O 90620483 LBYHLCHVIMJHTH-WVDJIFEKSA-N 314.838 2.175 0 40 DEAB COc1ccc([C@H](NC(=O)Nc2ncnn2C)C2CC2)cc1 91182666 YVPPLTRZNMTJQI-CYBMUJFWSA-N 301.350 2.097 0 40 DEAB CCc1nc(C(=O)NCc2cccc(-c3n[nH]c(C)n3)c2)co1 96011271 RUPCIQGHMASXML-UHFFFAOYSA-N 311.345 2.261 0 40 DEAB CC/C=C(\C)C(=O)NCCCS(=O)(=O)Cc1ccccc1 96314493 KBNNCORUNGOSPM-RIYZIHGNSA-N 309.431 2.464 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@H](C[S@](C)=O)c1ccccc1 96445520 ACDBKRZOHUBAJX-JLCFBVMHSA-N 319.430 2.061 0 40 DEAB C[C@H]1CN(c2ncnc3[nH]cnc23)C[C@H](c2ccsc2)O1 89937041 KYBMRCHTOYTNPD-GXSJLCMTSA-N 301.375 2.381 0 40 DEAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@H](C)SCc1ccccc1 71804240 AYBDQLXENJCTHG-SNVBAGLBSA-N 318.402 2.077 0 40 DEAB C[C@@]1(CNC(=O)NCCc2cn3ccccc3n2)CCCS1 89919379 NKEIWOSUSNLRMC-INIZCTEOSA-N 318.446 2.462 0 40 DEAB C[C@H]1SCCN(C(=O)c2c[nH]c3ccccc3c2=O)[C@@H]1C 89920044 RAYWHCKKTNGRAS-GHMZBOCLSA-N 302.399 2.494 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)no1 72299013 GTRJNZJTFKIXBO-AWEZNQCLSA-N 313.357 2.219 0 40 DEAB Cc1noc(C)c1CC(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 72292731 ILPKPHYCODSQFH-SNVBAGLBSA-N 313.357 2.455 0 40 DEAB COCCS(=O)(=O)N[C@H](C)c1ccccc1Br 72230403 UOLUPTDKQKZMBV-SECBINFHSA-N 322.224 2.076 0 40 DEAB C[C@H](COCc1ccccc1)C(=O)N[C@H]1CCc2nccn2C1 72278692 ROHQBVMHLATKJT-ZBFHGGJFSA-N 313.401 2.167 0 40 DEAB Cc1nnc(CNC(=O)c2cc(F)c(F)cc2F)n1C1CC1 97113157 HXQMCZOQGSSBGJ-UHFFFAOYSA-N 310.279 2.269 0 40 DEAB Cc1nccc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)n1 76044239 HCSHSKKNKNFHQG-LBPRGKRZSA-N 301.350 2.269 0 40 DEAB O[C@H](CNc1ncnc2[nH]ncc12)c1ccc(Cl)c(F)c1 97230169 PZBMEANRAMRPPP-LLVKDONJSA-N 307.716 2.291 0 40 DEAB CCS(=O)(=O)NC[C@H]1CCCC[C@H]1OCC(F)(F)F 77395463 XYOZYRIDDHAFDI-NXEZZACHSA-N 303.346 2.063 0 40 DEAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H]1CCC[C@@H](N(C)C)C1 95408048 HMLXXHAAPVWQLL-AYSSICMYSA-N 324.856 2.384 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1sccc1C)CC2 95400739 ACJGJICGTYBTGR-STQMWFEESA-N 309.431 2.449 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(CCc3scnc3C)CCO2)n1 78893264 JNLCCXDNRZNZKF-LBPRGKRZSA-N 321.450 2.138 0 40 DEAB O=C(NCc1ccncc1)N(C[C@@H](O)c1ccccc1)C1CC1 78999327 KIGUZAYZJRYLLF-QGZVFWFLSA-N 311.385 2.489 0 40 DEAB COc1cccc(F)c1[C@@H](C)NC(=O)NCc1ccnc(C)n1 78940281 UEPCACLLDIVYBR-SNVBAGLBSA-N 318.352 2.493 0 40 DEAB C[C@H](NCc1noc(C2CC2)n1)c1ccc(-n2ccnn2)cc1 95986053 JISJHAJDNPIBDE-NSHDSACASA-N 310.361 2.379 0 40 DEAB CC1CC(NC(=O)[C@H](C(C)C)n2nnc(-c3ccccc3)n2)C1 95963133 JHRGYRCUDMWDRU-ZALBZXLWSA-N 313.405 2.452 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)NCC1CCCCCCC1 79179586 UGNZHFNFEFFZKW-CQSZACIVSA-N 301.452 2.288 0 40 DEAB CN(C)[C@@H]1CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 74709572 WKRYOTDYUZXRSC-OLZOCXBDSA-N 308.451 2.330 0 40 DEAB O=C(NCc1ccccc1Cl)C(=O)Nc1cccc(O)c1 9995423 PZYLQJLKAZSIBV-UHFFFAOYSA-N 304.733 2.301 0 40 DEAB O=C(NCc1ccccc1CO)c1ccc(-c2ccco2)[nH]c1=O 75125850 RYFJTVWJURMMGY-UHFFFAOYSA-N 324.336 2.057 0 40 DEAB CC(C)(C)NC(=O)CCN1CCc2n[nH]c(C(F)(F)F)c2C1 75137035 AEBXHXILIPOGGQ-UHFFFAOYSA-N 318.343 2.091 0 40 DEAB CCN1CC[C@@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C 75145343 ZSJRLANZGISHGH-DZGCQCFKSA-N 323.506 2.477 0 40 DEAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc4c(c3)OCO4)C2=O)cc1 89633377 KAVRWHMGOLGMLU-CQSZACIVSA-N 324.336 2.468 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1C 74965978 VYOKELHMCLWWPF-NSHDSACASA-N 311.403 2.202 0 40 DEAB COc1cccc(OC)c1C(=O)N1CC(=O)Nc2ccccc21 74584698 BHKLRJUORJUPFA-UHFFFAOYSA-N 312.325 2.303 0 40 DEAB Cc1ccccc1[C@@H](O)CNC(=O)c1cnc2ccccc2n1 79028513 MKXSHCINBRNCIB-KRWDZBQOSA-N 307.353 2.402 0 40 DEAB O=S(=O)(NC[C@@](O)(c1ccccc1)C1CC1)c1cccs1 70967534 GUOQZCPGWTWVDK-OAHLLOKOSA-N 323.439 2.324 0 40 DEAB Cc1cc(C)n2ncc(-c3noc([C@H](C)n4ccnc4)n3)c2n1 78774401 PKQHWXNTERSZSU-NSHDSACASA-N 309.333 2.202 0 40 DEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1c[nH]nc1-c1ccccn1 574947418 BMNDUAPFNWFMPE-VQISRLSMSA-N 312.373 2.015 0 40 DEAB CC(C)c1cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)n[nH]1 45019166 WCKALTYYQGZABU-UHFFFAOYSA-N 300.318 2.116 0 40 DEAB CCN(CCC(=O)OC)C(=O)/C=C/c1ccc(OC)c(OC)c1 40555823 RGOIYRNFLFVPIK-VQHVLOKHSA-N 321.373 2.129 0 40 DEAB Cn1cc(S(=O)(=O)N2CC(C)(C)Sc3ccccc32)cn1 88547541 MAEKDUFLUFPLOI-UHFFFAOYSA-N 323.443 2.500 0 40 DEAB CO[C@H](C)CS(=O)(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 195230268 SWVNOVCPYXGDJT-NXEZZACHSA-N 320.480 2.456 0 40 DEAB COc1ccc(NC(=O)N[C@H]2CCCCNC2=O)c(Cl)c1 96403315 WWZDWJCSUMKJNQ-LBPRGKRZSA-N 311.769 2.139 0 40 DEAB Cc1nc(NS(=O)(=O)Cc2ccccc2C(F)(F)F)no1 97101530 WIPOZFGXEKAYPQ-UHFFFAOYSA-N 321.280 2.339 0 40 DEAB COCC[C@H]1CO[C@]2(CCCN(C(=O)Cc3ccncc3)C2)C1 96222096 QRYGFMPGHZFOLB-SJLPKXTDSA-N 318.417 2.058 0 40 DEAB CC(C)C(=O)NCCCNC(=O)c1cc(F)cc(Cl)c1O 96487289 GNJKAUMZCPLLLE-UHFFFAOYSA-N 316.760 2.077 0 40 DEAB COc1cccc(N2C[C@@]3(CCN(c4ccncn4)C3)CC2=O)c1 96238959 YFOJIXBZIBFEOW-SFHVURJKSA-N 324.384 2.119 0 40 DEAB Brc1cnc2c(c1)nc([C@@H]1CCCO1)n2C[C@@H]1CO1 95096486 FOXFPAJOSOHVHK-KOLCDFICSA-N 324.178 2.444 0 40 DEAB FC(F)(F)c1cccc(N2CCN(C[C@@H]3CCCO3)CC2)n1 96453182 WMDNWQXSXOGSFE-LBPRGKRZSA-N 315.339 2.401 0 40 DEAB O=C(NCCCNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCC1 96451680 VNSKGYURUFUFFM-CVEARBPZSA-N 318.392 2.352 0 40 DEAB c1csc(CN2CC[C@]3(COCCN(CC4CC4)C3)C2)n1 96062453 GUCRHFUOYHAHRM-INIZCTEOSA-N 307.463 2.077 0 40 DEAB c1cn(-c2csc(CN3CCC[C@@H](n4ccnn4)C3)c2)cn1 579829919 XXGMRRAATHZXMP-CYBMUJFWSA-N 314.418 2.362 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)c1cccs1)C2 96061789 BXUIUIJLYOKZKX-UHFFFAOYSA-N 318.446 2.441 0 40 DEAB Cc1nc([C@@H]2C[C@H]3CN(C(=O)c4sccc4C)C[C@H]3O2)no1 96045869 XUGOQIZFIPIZIQ-SDDRHHMPSA-N 319.386 2.350 0 40 DEAB CC(C)CC[C@H]1CCCCN1C(=O)N[C@@H](C)CS(C)(=O)=O 96474208 NBWGXCNMSVTCEG-UONOGXRCSA-N 318.483 2.420 0 40 DEAB COc1ncccc1CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042068 PTYWOOZGQHHYTD-YESZJQIVSA-N 318.417 2.249 0 40 DEAB Cc1cc(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)on1 96431470 AVBOHDMOWUJIGZ-UHFFFAOYSA-N 314.320 2.280 0 40 DEAB COc1c(C(=O)NCC(=O)N2CCCCC2)oc2ccccc12 252489648 JVJSVOFOKVBAHC-UHFFFAOYSA-N 316.357 2.184 0 40 DEAB CN(C)Cc1cccc([C@@H]2CCCN2C(=O)c2cccn2C)n1 257211700 BZZFWLCBSUPMDI-INIZCTEOSA-N 312.417 2.459 0 40 DEAB CCc1cc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)on1 257216702 CVTIAQNKKBURPO-ZDUSSCGKSA-N 316.361 2.199 0 40 DEAB CCn1nccc1-c1cncc(C[C@H]2CCCN(C(C)=O)C2)n1 257251270 JQBJRPAWGFVUDQ-CQSZACIVSA-N 313.405 2.161 0 40 DEAB CN(c1ccncn1)C1CC2(CCN(Cc3ccccn3)C2)C1 257321702 WCUSFEGHTWDLMV-UHFFFAOYSA-N 309.417 2.363 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cc(C(C)C)no1 257337881 YUWNIYSNHWLGNB-LBPRGKRZSA-N 304.350 2.043 0 40 DEAB CC(C)CC(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575406139 WOKJSRINFKCATE-CQSZACIVSA-N 304.390 2.267 0 40 DEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1c[nH]nc1-c1ccccn1 574947416 BMNDUAPFNWFMPE-KMUNFCNLSA-N 312.373 2.015 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3ccn(C)n3)C2)c1 585268850 AUXOOGWUYXFDAM-GOSISDBHSA-N 315.417 2.134 0 40 DEAB COCCN1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1 585100757 VRLZLHYBLIWUOQ-QGZVFWFLSA-N 306.406 2.387 0 40 DEAB O=C(N[C@H]1CCN(Cc2cncs2)C1)c1ccc(F)cc1 1009918646 IAUITKHNJDSCJH-ZDUSSCGKSA-N 305.378 2.287 0 40 DEAB CSC[C@](C)(O)CNC(=O)Cc1c(F)cccc1Cl 151196878 JFIQUVZKIOERJO-CYBMUJFWSA-N 305.802 2.252 0 40 DEAB COc1nc2c(I)cccc2cc1N 685937725 YGZLEDDSPFCELA-UHFFFAOYSA-N 300.099 2.430 0 40 DEAB O=C(C[C@H]1CCCO1)Nc1cccc(CN2CCC(O)CC2)c1 84374402 DGNWVCQMBBQOKS-QGZVFWFLSA-N 318.417 2.151 0 40 DEAB Cc1c(C(=O)O)c(N2CCO[C@H](CF)C2)nc2ccccc12 516070824 QQODZAPROXUDOT-LLVKDONJSA-N 304.321 2.416 0 40 DEAB CC(=O)N1N=C(c2ccnn2C)C[C@@H]1c1ccc2nccnc2c1 12409693 UQQBPVWTRLWTLT-QGZVFWFLSA-N 320.356 2.061 0 40 DEAB CCn1ccnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 13693655 CNBMAIFXLBMZIK-UHFFFAOYSA-N 302.353 2.005 0 40 DEAB O=S(=O)(NCCCn1cccn1)c1ccc2ccccc2c1 14238114 PGSBRBNGRSFQDU-UHFFFAOYSA-N 315.398 2.405 0 40 DEAB CN(C)Cc1cc([C@H]2CCCN(C(=O)C(C)(C)C)C2)nn1C 19709012 AKQUYWORKVKING-ZDUSSCGKSA-N 306.454 2.234 0 40 DEAB O=C(c1ccccc1Br)N1CC[C@@H](n2ccnn2)C1 206931352 IEMHLZIWGUKRLJ-SNVBAGLBSA-N 321.178 2.128 0 40 DEAB C[C@@H](C(=O)Nc1ccc(OCCO)cc1)N1[C@H](C)CC[C@H]1C 156404193 LEOPPIGRYAXBMT-MCIONIFRSA-N 306.406 2.258 0 40 DEAB Cc1cnc(N(C)[C@H]2CCCN(Cc3cc(C)no3)C2)nc1 1889090936 OGKRZOKGLQBEIK-AWEZNQCLSA-N 301.394 2.182 0 40 DEAB COc1cc(N2CCC(COc3ncccc3C)CC2)ncn1 1889114196 XDFXHSWNYIXFLR-UHFFFAOYSA-N 314.389 2.484 0 40 DEAB Cc1cc(N2CCN(c3ncnc4cc(F)ccc34)CC2)ncn1 1889149146 GSKZRTAORWQXGM-UHFFFAOYSA-N 324.363 2.194 0 40 DEAB CC(C)n1nnnc1S[C@H](C(=O)N(C)C)c1ccccc1 16453644 VFIMQLDTUGERIS-LBPRGKRZSA-N 305.407 2.176 0 40 DEAB CS(=O)(=O)Nc1ccccc1CNC(=O)[C@H]1CC=CCC1 36391461 WRYZRNLZIJKYCG-LBPRGKRZSA-N 308.403 2.031 0 40 DEAB O=C(COCc1ccccc1)N1CC[C@H](Oc2ccccn2)C1 238893460 QVKWVSAICNXSCX-INIZCTEOSA-N 312.369 2.278 0 40 DEAB Cn1c(=O)c(C(=O)N2CCc3ccccc3C2)cc2cccnc21 5303460 URCJXYLFIQXJRI-UHFFFAOYSA-N 319.364 2.132 0 40 DEAB CCOCC(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 207968750 OWNLJYHQBOJJKL-INIZCTEOSA-N 305.399 2.483 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2cccc[n+]2[O-])c1C 20083034 FLQHKJBDVCGKAU-UHFFFAOYSA-N 320.370 2.027 0 40 DEAB O=C(O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 91645 KZFKNVVXRBAQGL-UHFFFAOYSA-N 316.342 2.158 0 40 DEAB Cc1cc2ncn(CCC(=O)NC[C@@H]3CCCO3)c2cc1C 412087 JGWHZVWKVJEVCT-AWEZNQCLSA-N 301.390 2.338 0 40 DEAB COc1ccc(C2CC(=O)N(c3nccc(C)n3)C(=O)C2)cc1 1873920 YUCDZSROKWCARI-UHFFFAOYSA-N 311.341 2.231 0 40 DEAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4141784 WXZZVLGELIAGPE-RMHZUWNSSA-N 324.380 2.131 0 40 DEAB CC[C@@H](C)C(=O)NCC(=O)Nc1ccnn1Cc1ccsc1 69518553 GPVFLGVAAVNCLK-LLVKDONJSA-N 320.418 2.094 0 40 DEAB CCn1cnnc1SCC(=O)c1ccc(OC)cc1OC 7868416 MEGNWAKHSQIOHR-UHFFFAOYSA-N 307.375 2.290 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 102033644 DDFYIBGYWBBVMS-SECBINFHSA-N 305.403 2.233 0 40 DEAB CCn1c(CNC(=O)c2ccc(N(C)C)nc2)nc2ccccc21 46166592 SDESFBZDKDEUNT-UHFFFAOYSA-N 323.400 2.447 0 40 DEAB O=C(CC1CCCC1)NCCn1nc(-c2ccco2)ccc1=O 8954611 IBIGRAGJEOZPOE-UHFFFAOYSA-N 315.373 2.200 0 40 DEAB Cc1cnccc1CCNC(=O)c1cn(C)nc1C(F)(F)F 89702451 SFMVLMHSGDBHMW-UHFFFAOYSA-N 312.295 2.115 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CNc1ccc(F)cc1 100395113 MEJIITADDXGLNA-GTDBDLECSA-N 312.344 2.248 0 40 DEAB O=C(N[C@H](c1ccccc1)C1CCCC1)[C@H]1CCS(=O)(=O)C1 46690802 BMUXPXLZCYGGOG-JKSUJKDBSA-N 321.442 2.469 0 40 DEAB CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235444 KGMGJFWDOWFPSN-UHFFFAOYSA-N 314.385 2.104 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 7968751 MEOPMTGNPSWFDO-BBRMVZONSA-N 318.398 2.282 0 40 DEAB CN(Cc1ccc(Cl)s1)c1ccc(S(N)(=O)=O)cn1 23717864 SYLBBSFPPILFSE-UHFFFAOYSA-N 317.823 2.080 0 40 DEAB Cc1nc2n(n1)-c1nncn1-c1sc3c(c1-2)CC(C)(C)OC3 1267568 XPWWKCJLGWDXRD-UHFFFAOYSA-N 314.374 2.050 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(-c2ccco2)on1 24728913 IFYKWVINJQAJAF-NSHDSACASA-N 306.318 2.252 0 40 DEAB FC(F)(F)c1ccc(NCCNc2ncnc3[nH]cnc23)nc1 47511155 OICLHUWACUAUEY-UHFFFAOYSA-N 323.282 2.291 0 40 DEAB COc1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)c(OC)c1 24970300 FLRBAKKBBZJLGZ-SNVBAGLBSA-N 305.334 2.439 0 40 DEAB CN(CC(=O)NC1CC1)Cc1ccccc1N1CCCCC1 12558056 HPAZYDJPUFGCPE-UHFFFAOYSA-N 301.434 2.387 0 40 DEAB C[C@H](NCCN(C)C)C(=O)Nc1cc(Cl)ccc1Cl 22788401 SDODVEXMFINUSZ-VIFPVBQESA-N 304.221 2.472 0 40 DEAB O=C(NCCc1ccc(F)c(Br)c1)c1cc[nH]n1 55865774 UPJWZDDLPUEKOW-UHFFFAOYSA-N 312.142 2.284 0 40 DEAB CCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)cn1 27938309 FJAWNFXOEQHHSD-UHFFFAOYSA-N 302.353 2.005 0 40 DEAB O=C(NCc1nncn1C1CC1)c1ncoc1-c1cccs1 89800056 HBXCWVRQHRFPJH-UHFFFAOYSA-N 315.358 2.260 0 40 DEAB O=C(NCCn1ccnc1)N1CCC[C@@H]1Cc1ccc(F)cc1 56797549 PTPHTNKILCWREI-MRXNPFEDSA-N 316.380 2.439 0 40 DEAB O=C(O)[C@@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 35296948 CKHVBEZANSQHMP-LLVKDONJSA-N 311.765 2.408 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc(OC)cc2)[C@]12CCCO2 108394448 UVZVWSMVMZJTLR-BFYDXBDKSA-N 305.374 2.152 0 40 DEAB CCN1CCN([C@@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 22585884 GLQDSWPMXLHESX-NSHDSACASA-N 313.804 2.444 0 40 DEAB O=C(O)[C@H]1CS[C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)N1 62712182 PUPMPBBWPYRJNY-ZJUUUORDSA-N 320.197 2.221 0 40 DEAB CC(C)NC(=O)Nc1ccccc1C(=O)/N=c1/sccn1C 57955534 TXGUUIHXZMOJBW-OBGWFSINSA-N 318.402 2.358 0 40 DEAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C)n[nH]c1C 58010386 SYEWUDPFNJUFKJ-UHFFFAOYSA-N 321.402 2.177 0 40 DEAB O=C1Cc2cc(NS(=O)(=O)c3ccccc3F)ccc2N1 10063807 JPSHFBVSELWWOY-UHFFFAOYSA-N 306.318 2.121 0 40 DEAB CC(C)Cc1noc(CN2CCC[C@H](C(=O)NCC3CC3)C2)n1 44950524 HSTSIPDBRNXFIE-AWEZNQCLSA-N 320.437 2.006 0 40 DEAB CC1(C)C[C@](O)(CCNCc2ccc3c(c2)OCO3)CCO1 2328202 BQDQPAZSZCXSJY-KRWDZBQOSA-N 307.390 2.215 0 40 DEAB CCC(=O)c1ccc(OCC(=O)Nc2nnc(C)s2)cc1 3357181 VMBUTMAWPCDDQY-UHFFFAOYSA-N 305.359 2.457 0 40 DEAB C[C@H]1CN(C(=O)CSc2ncnc3sccc23)C[C@H](C)O1 3495825 OCQCMNWIQRZMKJ-UWVGGRQHSA-N 323.443 2.419 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)COc1cccc(Cl)c1 13040511 RXLOPAXFHCMGRT-UHFFFAOYSA-N 312.797 2.092 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@H](C(=O)O)C2)ccc1OC 13171019 LOTVLMJZLAZABN-LBPRGKRZSA-N 307.346 2.031 0 40 DEAB CC(C)n1nccc1NC(=O)CSc1nnc2ccccn12 8245073 HXLHBDROFMRUOP-UHFFFAOYSA-N 316.390 2.238 0 40 DEAB O=C(c1ccncc1F)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91760435 WKVRPCKCIDLYKH-MEBBXXQBSA-N 322.286 2.447 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1c(F)cccc1F 8323496 VQNQQUHLWPHKPT-ZDUSSCGKSA-N 310.300 2.498 0 40 DEAB CNC(=O)CN(C)c1nc(-c2ccccc2)c2ccccc2n1 8326217 IFHLEDKRSPURNA-UHFFFAOYSA-N 306.369 2.479 0 40 DEAB COc1ccc(CNC(=O)N(CCO)Cc2ccccc2)cc1 69458445 SQYMFIONEUPNBF-UHFFFAOYSA-N 314.385 2.399 0 40 DEAB Cn1ccc2c(C(=O)N[C@@H](Cc3ccccc3)C(N)=O)cccc21 65624117 WEOKNGDXRFTEOZ-INIZCTEOSA-N 321.380 2.005 0 40 DEAB O=C(NCc1cc(-c2ccccc2)on1)c1cnn2cccnc12 65609631 WMCJEVQGOIPZKS-UHFFFAOYSA-N 319.324 2.314 0 40 DEAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3cccnc3)n2)cc1 5451144 NXPASVKQCFLMQI-UHFFFAOYSA-N 306.325 2.188 0 40 DEAB Cc1ccccc1C[C@H](C)NC(=O)Cn1nnnc1C(C)(C)C 65849601 XTCBHACSGJIKHR-ZDUSSCGKSA-N 315.421 2.026 0 40 DEAB O=C(Nc1nc2ccccc2[nH]1)[C@H]1CC(=O)N(C2CCCC2)C1 6657874 FANLAJRJUTUACU-NSHDSACASA-N 312.373 2.293 0 40 DEAB O=C(CSc1ncn[nH]1)Nc1cccc(Br)c1 6862988 GLYYFVBNOORGMV-UHFFFAOYSA-N 313.180 2.298 0 40 DEAB CCOc1ccc(CN2CCN(Cc3nccn3C)CC2)cc1 69840716 XLDQVMBEVDILTP-UHFFFAOYSA-N 314.433 2.137 0 40 DEAB CC[C@H]1CCCC[C@H]1NC(=O)NCCN1CCC(OC)CC1 89948266 MUJPOKXODISERW-GOEBONIOSA-N 311.470 2.365 0 40 DEAB O=C(CCNS(=O)(=O)c1ccccc1F)Nc1ccccc1 9496237 XLTAHNZOFVHBRU-UHFFFAOYSA-N 322.361 2.133 0 40 DEAB COc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 9434982 MOHARRGFQZXHBM-ZPHPHTNESA-N 310.309 2.478 0 40 DEAB CC(C)(NCCN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 72289854 PZMCMIABMHDZLK-UHFFFAOYSA-N 315.417 2.376 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)n1cccn1 72234077 JLJSUZGOUWWZRR-KBPBESRZSA-N 301.394 2.158 0 40 DEAB CCn1c(C)nnc1CN1CCC(Oc2cccc(C)n2)CC1 97082883 VTSNSRRTFYUDAT-UHFFFAOYSA-N 315.421 2.353 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)on1 97198135 CCCWPBRUVXBNOD-LLVKDONJSA-N 302.378 2.222 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1C[C@@H](C)[C@H]1c1ccccc1 72308822 FFTKZHMZACIZNX-DYEKYZERSA-N 312.421 2.274 0 40 DEAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccn(CC(F)F)n1 78653331 FLELBERDVAMTNW-ZWNOBZJWSA-N 316.352 2.331 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCC(F)(F)F 78868964 ZBMZDIWAUVDDAM-DTWKUNHWSA-N 310.316 2.358 0 40 DEAB COc1ccccc1CNC(=O)CCCc1nnc2ccccn12 72402197 IWUYCWGTOXUSKT-UHFFFAOYSA-N 324.384 2.377 0 40 DEAB Cc1ccccc1CS(=O)(=O)NC[C@@H](O)c1ccccc1C 95433114 HIROAVMODJOJRA-QGZVFWFLSA-N 319.426 2.456 0 40 DEAB Cc1nc(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)oc1C 95417100 FXUXVALAAZZEPP-CQSZACIVSA-N 316.361 2.049 0 40 DEAB CN(C)C1CN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1 95450188 QNVUUAOGPRPIBF-UHFFFAOYSA-N 323.322 2.308 0 40 DEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NCCCCN1CCOCC1 95411126 KDMLLBSJAVCLIS-IKGGRYGDSA-N 323.481 2.461 0 40 DEAB C[C@]1(NC(=O)c2ccc(C(N)=O)cc2)CCc2ccccc2C1 95401926 QNIZLMCYOVRNLF-IBGZPJMESA-N 308.381 2.463 0 40 DEAB C[C@H]1CN(C(=O)NCc2cnn(C)c2)C[C@H](c2ccsc2)O1 95413983 BTPHUROYKJIQAM-SMDDNHRTSA-N 320.418 2.153 0 40 DEAB COC(=O)[C@H](OC(=O)c1cc(OC)ccc1N)c1ccccc1 95977825 AYNKENYAWDJKEN-OAHLLOKOSA-N 315.325 2.349 0 40 DEAB COC(=O)[C@H](NC(=O)c1oc(C)nc1C)c1ccc(F)c(F)c1 89364546 ZPEUWABVGVJLAR-GFCCVEGCSA-N 324.283 2.214 0 40 DEAB Cc1cccc(CSCC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1 89669548 ICZAQXOHFXMDBB-ZBFHGGJFSA-N 322.474 2.064 0 40 DEAB CC(C)Cc1cc(CC2(NCc3cccnc3)COC2)no1 67898224 ZNXXUKPGHWTSGO-UHFFFAOYSA-N 301.390 2.369 0 40 DEAB biogenic,in-vitro O=C(c1cc(Cl)c2c(c1)OCCCO2)N1C[C@@H](O)C2(CC2)C1 547656802 SJETXJKCDAFOAE-CYBMUJFWSA-N 323.776 2.098 0 40 DEAB CC(C)N1CCC[C@@H](c2cccc(C(=O)N3CCOCC3)n2)C1 72358301 TZMAWPYSTPWTOF-OAHLLOKOSA-N 317.433 2.142 0 40 DEAB COc1ccc(C[C@](C)(O)CNC(=O)[C@@H]2CC=CCC2)cc1 75170266 BCANEYRUUHSYAH-QAPCUYQASA-N 303.402 2.461 0 40 DEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)CN3CCCCCC3)C2)n1 72369671 XGSDCIFKZPVZOL-MRXNPFEDSA-N 316.449 2.285 0 40 DEAB Cc1cncc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1 72385913 QZQNUNRPCVVXIY-UHFFFAOYSA-N 316.430 2.499 0 40 DEAB CC(C)N1CCC[C@H](c2cccc(C(=O)N3CCOCC3)n2)C1 72358300 TZMAWPYSTPWTOF-HNNXBMFYSA-N 317.433 2.142 0 40 DEAB CC(C)[C@H](N)C(=O)N(C[C@H]1COc2ccccc2O1)C(C)C 79418822 JJJFXNXUCQSIRQ-BBRMVZONSA-N 306.406 2.047 0 40 DEAB Cc1cccc(C(=O)NCCn2cc(Br)cn2)c1 28242896 KAVVQAXXKLFGLI-UHFFFAOYSA-N 308.179 2.384 0 40 DEAB Cc1cc(CNC(=O)Cc2ccc(Cl)cc2)nc(N(C)C)n1 189949699 UCEOYOYORZBOFM-UHFFFAOYSA-N 318.808 2.363 0 40 DEAB CC(C)(C)c1ncc(NC(=O)N2C[C@@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cn1 560405700 KTOYHAFRZZBUJG-IGQOVBAYSA-N 314.389 2.191 0 40 DEAB CCCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1C 49935198 UOHRQAKQJAYOCY-UHFFFAOYSA-N 312.435 2.212 0 40 DEAB Cc1c(Br)cccc1C(=O)NCC1CCNCC1 88441952 NXMFAXDJPGHDAV-UHFFFAOYSA-N 311.223 2.487 0 40 DEAB CCc1nc(-c2cc3ccccc3nc2N2CCNCC2)no1 89261519 GQDXGOOGLHKZOO-UHFFFAOYSA-N 309.373 2.257 0 40 DEAB Cc1nc(C)c(CN2C(=O)N[C@@](C)(c3cccnc3)C2=O)s1 85268049 DYAIMWVWBWAKPW-HNNXBMFYSA-N 316.386 2.122 0 40 DEAB COCCCNC(=O)CCCn1cc(-c2ccccc2)cn1 227165010 VHQKBTUJMHUNSR-UHFFFAOYSA-N 301.390 2.483 0 40 DEAB CC(=O)N1CCC(CNC(=O)NCC(C(C)C)C(C)C)CC1 194830332 KHEVOCOZJCVQKF-UHFFFAOYSA-N 311.470 2.472 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CO1 96105824 ALKWQWRYSPUVIJ-LBPRGKRZSA-N 303.349 2.076 0 40 DEAB Cn1cc(CN2CCC3(C2)CN(Cc2ccc(F)cc2)C3)cn1 96202673 TYFOJQXEHRDHAG-UHFFFAOYSA-N 314.408 2.267 0 40 DEAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)O2)n1 96041070 WPWMOVOUQVDDES-IJLUTSLNSA-N 306.391 2.329 0 40 DEAB O=C(NC[C@@H]1OCCc2cn(CC3CC3)nc21)c1ccsc1 96044359 XDGMQRSQFXFOIV-AWEZNQCLSA-N 317.414 2.398 0 40 DEAB CCN1C(=O)CC(C)(C)c2cc(S(=O)(=O)NC(C)C)ccc21 96183036 VIGPYKGYYYUDBX-UHFFFAOYSA-N 324.446 2.408 0 40 DEAB CCc1cnc(Cn2c(CS(C)(=O)=O)nc3ccccc32)o1 96428827 JKWKDLWPQMRKSG-UHFFFAOYSA-N 319.386 2.180 0 40 DEAB COc1cccc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)c1 96425518 ODAXIPMPSSNQIV-LLVKDONJSA-N 301.390 2.407 0 40 DEAB c1ncc(C[C@H]2CC3(CCN(C4CCOCC4)CC3)CO2)cn1 257211186 BXUPQUUCKPVCAP-KRWDZBQOSA-N 317.433 2.069 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)CCN3CCc4ccccc43)C2)n1 257207055 BGEIKUUXKRKNLR-INIZCTEOSA-N 324.428 2.487 0 40 DEAB COCC(=O)N1CCC[C@@H]1c1cccc(-c2cc(C)n[nH]2)n1 257295349 QXYJJXPHRXADLD-OAHLLOKOSA-N 300.362 2.090 0 40 DEAB Cc1ncsc1-c1cc(C(=O)NCCN2CCCC2)ccn1 257226907 FMRYAKBBTFWBQV-UHFFFAOYSA-N 316.430 2.339 0 40 DEAB CC(=O)c1c(F)cccc1N1CCN(CC(C)(C)O)[C@H](C)C1 275606083 SSYXTZPTHYMWES-GFCCVEGCSA-N 308.397 2.310 0 40 DEAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCCN(C)C)[C@H]1O 585288458 AXLDRYNCALLUJB-CGTJXYLNSA-N 306.450 2.197 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H](c3cnn(C)c3)C2)cc1 681289463 RLWYQYJDDGAIEQ-HNNXBMFYSA-N 313.401 2.377 0 40 DEAB O=C(CS(=O)(=O)C1CCC(F)(F)CC1)NC1CCCC1 899520259 ADXXLHCWPISFMN-UHFFFAOYSA-N 309.378 2.038 0 40 DEAB CC(C)(C)C(=O)N1CC(S(=O)(=O)c2ccc(Cl)cc2)C1 96104392 GHERDJOSUCKJHZ-UHFFFAOYSA-N 315.822 2.371 0 40 DEAB O=C1CCCN1[C@H]1CCCN(c2cncc(Br)c2)C1 96429468 PWQMXUYHLRXSBW-LBPRGKRZSA-N 324.222 2.435 0 40 DEAB O=C(O)C1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCNCC1 12157356 ZVTCJKJOZITZAB-ZDUSSCGKSA-N 306.337 2.163 0 40 DEAB NC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 13466680 QHBDTQLFQFTBEL-UHFFFAOYSA-N 304.346 2.149 0 40 DEAB C[C@H]1C[C@@H]1C(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 16582774 SAXGNCHJNUQGKV-KWQFWETISA-N 317.324 2.036 0 40 DEAB CC(=O)N1CC(C(=O)N2CCC[C@H]2c2ccc(C)c(C)c2)C1 19747551 FRYCRCMPJXZDMT-KRWDZBQOSA-N 300.402 2.445 0 40 DEAB COc1cc(F)cc(NC(=O)N(C)[C@H](C)C[S@@](C)=O)c1 162836311 GUIDGGUNXUPYLB-YBYGRFCBSA-N 302.371 2.065 0 40 DEAB Cc1occc1-c1nnc(SCC(=O)NC[C@@H]2CCCO2)o1 7195888 UHSOJZRTTXHKLD-JTQLQIEISA-N 323.374 2.025 0 40 DEAB O=C(c1cccc(F)c1)N1CCC(Nc2ccncn2)CC1 1888853601 OEXGOVWPCAELHI-UHFFFAOYSA-N 300.337 2.332 0 40 DEAB C[C@@H](c1ccccc1)N1CCO[C@@H](C(=O)N2CCSCC2)C1 1888864282 GLTWPQIUAPGDJP-GOEBONIOSA-N 320.458 2.024 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)C2CCC2)CC1 30260108 UIGNWZMVBKTIPR-UHFFFAOYSA-N 305.353 2.302 0 40 DEAB O=C1CN(c2ncnc3c2CCCC3)CCN1Cc1ccccc1 1167104302 SMQLMVKZGFOARQ-UHFFFAOYSA-N 322.412 2.204 0 40 DEAB O=C(NC[C@@H]1CCCN1c1ncccn1)c1cc(F)ccc1F 1061402599 FWPHGDYJWAARMC-LBPRGKRZSA-N 318.327 2.154 0 40 DEAB O=C(O)CCN1CCN(Cc2ccc(F)cc2Cl)CC1 35687236 AZFQOOGBOUECOE-UHFFFAOYSA-N 300.761 2.071 0 40 DEAB O=C(CCF)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 1565556520 MCGSCYYKVNHDJY-DOTOQJQBSA-N 322.380 2.108 0 40 DEAB O=c1ccc(C2CC2)nn1C1CCN(CC2CCOCC2)CC1 1775966325 YFNAMASJXFHWHL-UHFFFAOYSA-N 317.433 2.184 0 40 DEAB Cc1cc(C(=O)N[C@@H](c2cccnc2)C2CCOCC2)n(C)n1 225622445 SFBPKPULHHURIC-MRXNPFEDSA-N 314.389 2.021 0 40 DEAB Cc1ccc(OC[C@@H]2CCN(c3ccnc(C4CC4)n3)C2)nn1 2298048599 BDKNXGUXGITLLV-CYBMUJFWSA-N 311.389 2.358 0 40 DEAB CCONC(=O)[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 40017410 XJBHVGKPZMGMJS-VIFPVBQESA-N 316.279 2.126 0 40 DEAB CCCCNC(=O)NC(=O)CN(C)CCCc1ccccc1 40105863 VJSTYBZNBKTWTJ-UHFFFAOYSA-N 305.422 2.177 0 40 DEAB COc1ncccc1C(=O)NC[C@H](c1ccco1)N1CCCC1 28837556 CFNOGDKUGLWGSD-CQSZACIVSA-N 315.373 2.250 0 40 DEAB CN(Cc1ccsc1)C(=O)CNC(=O)/C=C/c1ccco1 40511923 AYQHZVIKJLPKPB-SNAWJCMRSA-N 304.371 2.129 0 40 DEAB Cn1c(=O)c2ccccc2n2c(CNc3ccccc3F)nnc12 11549334 KMPZDXIIPWRGJV-UHFFFAOYSA-N 323.331 2.332 0 40 DEAB C[C@H](NC(=O)CCc1ccco1)c1nnc2n1CCCCC2 45897428 PCRVDINLXRDZRW-LBPRGKRZSA-N 302.378 2.408 0 40 DEAB CCOC(=O)C1CCN(C(=S)NCc2ccccc2)CC1 6463392 DNMFBVBSGLSILF-UHFFFAOYSA-N 306.431 2.336 0 40 DEAB CCC(=O)Nc1nn2c(-c3ccc(OC)cc3)nnc2s1 6818169 IFAIRAQROBITNF-UHFFFAOYSA-N 303.347 2.210 0 40 DEAB CN(c1ccccc1C(=O)Nc1ccccc1F)S(C)(=O)=O 361668 UYZUGGLEAPIVFC-UHFFFAOYSA-N 322.361 2.474 0 40 DEAB C[C@@H](NC(=O)CSCc1nc2ccccc2[nH]1)[C@@H]1CCCO1 69591981 MYGUCGSZHNJIMC-RISCZKNCSA-N 319.430 2.480 0 40 DEAB COC(=O)C1=C(C(=O)OC)[C@@H]2C=C[C@@H]1[C@H]1C(Cl)=C(Cl)[C@H]21 103009469 NBFRZMUPVAPSFP-WCTZXXKLSA-N 315.152 2.380 0 40 DEAB COc1cc(OC)cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c1 32869121 JITMNOKIRKDDSL-OAHLLOKOSA-N 315.325 2.087 0 40 DEAB C[C@H]1CN(C(=O)c2ccco2)[C@@H](C)CN1C(=O)c1ccco1 2744877 OBPVUYKOLOBOLB-RYUDHWBXSA-N 302.330 2.248 0 40 DEAB CCCCOC(=O)c1ccc([C@H]2N=c3cc(C)c(N)cc3=N2)cc1 103533910 ISHBOCDNPVYRFC-SFHVURJKSA-N 323.396 2.486 0 40 DEAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)sc1C(=O)O 37238542 DFKSPAHKTIDEAR-SECBINFHSA-N 303.405 2.318 0 40 DEAB CCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CC[C@@H](C)C2 559075 ODKANDXYPWPVRA-SECBINFHSA-N 319.382 2.479 0 40 DEAB CC(=O)c1cn(Cc2ccc(Cl)cc2)/c(=N\C#N)nc1C 101453346 XLGIPBGYXRDZTD-SDXDJHTJSA-N 300.749 2.478 0 40 DEAB CCCN(C)S(=O)(=O)N[C@H](C)c1ccc(OC)c(F)c1 89955556 RKZXYJUWFGSZDL-SNVBAGLBSA-N 304.387 2.072 0 40 DEAB O=C1O[C@H](C(=O)N2CCc3sccc3C2)Cc2ccccc21 22597951 FOCOCHAOOIIKPW-AWEZNQCLSA-N 313.378 2.415 0 40 DEAB O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 23018101 CEFNQLJOMQJLQC-KRWDZBQOSA-N 302.418 2.194 0 40 DEAB Cc1cc(C)n(CCCNC(=O)COc2ccccc2C)n1 23246387 WNVHLEIJYONLPC-UHFFFAOYSA-N 301.390 2.394 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cccc4[nH]ncc34)C2)n1 75602689 WVVZZKVLAWXLEH-ZDUSSCGKSA-N 324.388 2.249 0 40 DEAB O=C(NCC1(c2ccccc2)CC1)c1ccnc(-n2cncn2)c1 54705723 DOMGPXHYMCDQMK-UHFFFAOYSA-N 319.368 2.124 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(N(C)C)cc2)no1 12509273 GXEVBKVJEUWTED-LLVKDONJSA-N 317.345 2.233 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc(Cn2cncn2)cc1 24629222 OLSSFLPTLRWBCZ-UHFFFAOYSA-N 311.345 2.112 0 40 DEAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)O[C@H](C)C(N)=O 25859428 VBSFINPGWZIKCF-MRVPVSSYSA-N 308.721 2.334 0 40 DEAB O=C(NCC1(c2cccc(F)c2)CC1)N[C@H]1C[C@H]2CC[C@H]1O2 108105915 CFOFROBNDRLABS-QLFBSQMISA-N 304.365 2.476 0 40 DEAB CCNC(=O)CN(CC)Cc1nc(-c2ccc(Cl)cc2)no1 7584933 DHHPABHNLVAXNU-UHFFFAOYSA-N 322.796 2.348 0 40 DEAB O=C(CCNC(=O)c1cc(Cl)ccc1O)Nc1ccncc1 58179184 LZBAFJQRPZFZMC-UHFFFAOYSA-N 319.748 2.199 0 40 DEAB C[C@@H](C(=O)NCc1ccc(OC2CCCC2)cc1)n1cncn1 58229710 NZGIRLXXUGRBAY-ZDUSSCGKSA-N 314.389 2.477 0 40 DEAB O=C1NCCN1C1CCN(c2nc3ccccc3s2)CC1 44977022 BWQNUYLBZKBJBD-UHFFFAOYSA-N 302.403 2.290 0 40 DEAB C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1ccccn1 44949239 OLGHBKCNRNBZIS-GXTWGEPZSA-N 302.378 2.338 0 40 DEAB Cc1ccc2c(=O)cc(C(=O)NCc3cnn(C)c3)oc2c1C 27912369 XDKMHTFUBZLLMD-UHFFFAOYSA-N 311.341 2.073 0 40 DEAB Cc1ccc([C@H](C)NCc2c(C)nn(C)c2N2CCOCC2)o1 58404186 JGOYUJSUAUMNMQ-AWEZNQCLSA-N 318.421 2.317 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N3CCOC[C@@H]3C)cnc21 48304372 JTOAQWNZUQYGPE-NSHDSACASA-N 303.366 2.265 0 40 DEAB COCCNC(=O)N(Cc1cccc(OC)c1)C[C@H]1CCCO1 68270606 NWKXLJRCQWRHFH-MRXNPFEDSA-N 322.405 2.032 0 40 DEAB CCOC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 16183389 HBHCMOGQIYCQKB-UHFFFAOYSA-N 316.334 2.241 0 40 DEAB O=C(O)Cc1csc(NC(=O)CCc2ccccc2F)n1 13406662 WZPFWLHMXBVUIS-UHFFFAOYSA-N 308.334 2.481 0 40 DEAB C[C@@H](NC(=O)Nc1nncc(-c2ccccc2)n1)[C@@H]1CCCO1 69658509 VXVHLWQAJPZDAR-RISCZKNCSA-N 313.361 2.228 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2c(ccn2C)c1 49543218 DBFDTYUQEBCQHM-AWEZNQCLSA-N 302.374 2.496 0 40 DEAB biogenic O=C(CCC1CCCCC1)N1CCN(c2ncccn2)CC1 6238301 KMWZHFYNASQZFW-UHFFFAOYSA-N 302.422 2.486 0 40 DEAB CC(C)Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 65493336 VKKNIVOUEHTECF-QZTJIDSGSA-N 316.445 2.478 0 40 DEAB C[C@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C[C@H](C)O1 65595992 VFJMYFCRAGXDNT-QWRGUYRKSA-N 320.780 2.170 0 40 DEAB Cc1ccc2nc(CNc3ccc4c(c3)OCO4)cc(=O)n2c1 6589067 VONKGPMUIXDVOQ-UHFFFAOYSA-N 309.325 2.344 0 40 DEAB COc1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 6610358 BPNZQJLYNQUKLX-UHFFFAOYSA-N 309.325 2.044 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccnc1 8289266 XXQSWFAJXQMWHU-LLVKDONJSA-N 300.314 2.274 0 40 DEAB COCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 6807013 PCFWGOXZURLGBS-UHFFFAOYSA-N 310.357 2.039 0 40 DEAB Cc1ccccc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 69708787 ZNZHEYKVDCVFDR-KRWDZBQOSA-N 315.461 2.237 0 40 DEAB Cc1ccc2[nH]c(=O)cc(C(=O)NCCNc3cccnc3)c2c1 67491033 CHCVSNFEMSXEJL-UHFFFAOYSA-N 322.368 2.073 0 40 DEAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 69902016 YJROSWHETZJXKP-INIZCTEOSA-N 323.400 2.245 0 40 DEAB CN1C(=O)C[C@@H](NC(=O)N2CCC2)[C@@H]1c1ccc(Cl)cc1 92353114 GUCVOZAHFODZGW-OCCSQVGLSA-N 307.781 2.027 0 40 DEAB COc1ccccc1CNC(=O)c1cnn(-c2cccnc2)c1 83980330 JUQPVCYZMUVYBJ-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB COC[C@H]1CN(C(=O)NC[C@H](C)c2ccc(C)cc2)CCO1 78953038 ULPXAPHTUWCKBN-GOEBONIOSA-N 306.406 2.155 0 40 DEAB COc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)c(C)nn1C 79050657 HVJDXUGGPLNYAT-CYBMUJFWSA-N 309.410 2.014 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN2CCCC[C@H]2C1 71839771 YCNNMAHIBPDCNO-SFHVURJKSA-N 324.428 2.112 0 40 DEAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)NCC2CCCCC2)no1 71859244 KGXXLVTWHVNTJB-QKVFXAPYSA-N 312.435 2.317 0 40 DEAB CSCCOC(=O)c1ccc(=O)n(-c2ccc(F)cc2)c1 83770258 LCCGIEHBHZILQH-UHFFFAOYSA-N 307.346 2.496 0 40 DEAB CCn1c(=O)n(CC(=O)Nc2cccc(O)c2)c2ccccc21 96992454 PMRKDNRFIIRNJO-UHFFFAOYSA-N 311.341 2.167 0 40 DEAB COc1cc(CCNC(=O)NC2CCC(O)CC2)ccc1C 72294918 MMRNTEUWJIBZHL-UHFFFAOYSA-N 306.406 2.149 0 40 DEAB COC(=O)[C@](C)(c1ccc(Br)cc1)N(C)C(C)=O 72292879 FUSHKFLMMKAMCD-ZDUSSCGKSA-N 314.179 2.316 0 40 DEAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](n2cncn2)C1 72272258 SQIBZWCEODBFQR-HNNXBMFYSA-N 314.389 2.137 0 40 DEAB O=C(NCc1cccnc1-n1ccnc1)[C@H]1C[C@H]1c1ccco1 84358314 CFSYPEOAVXGLDB-KGLIPLIRSA-N 308.341 2.280 0 40 DEAB O=C(N1CCC(n2ccnn2)CC1)C1(Cc2ccccc2)CC1 95979291 RZYSOAUWNNSVLQ-UHFFFAOYSA-N 310.401 2.465 0 40 DEAB O=C(NC1=NCCS1)c1c[nH]c(=S)n1-c1ccccc1 9909127 VNGUUPYGZMIJTE-UHFFFAOYSA-N 304.400 2.367 0 40 DEAB N[C@](CC(=O)OCc1ccccc1)(Cc1ccccc1)C(=O)O 64219529 UZRYYUHHPZHBTJ-SFHVURJKSA-N 313.353 2.145 0 40 DEAB C[C@@H](NC(=O)c1ccc2cccnn12)c1ccc2c(c1)CC(=O)N2 1541033398 IZEOIOCQBWPZQB-LLVKDONJSA-N 320.352 2.320 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)[C@H](C)CO1 36389947 QYHLYYIOZYUDQZ-RKDXNWHRSA-N 307.774 2.277 0 40 DEAB CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217439837 WIXWTLSNSDHCEV-SECBINFHSA-N 312.391 2.036 0 40 DEAB COC(=O)c1ccc(Sc2nc(C(F)(F)F)n[nH]2)c(N)c1 78406752 SOCMCALCSWXFLK-UHFFFAOYSA-N 318.280 2.344 0 40 DEAB Cc1ncc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cn1 72386351 REGUEVAVYGNOJO-GFCCVEGCSA-N 302.403 2.336 0 40 DEAB O=C([C@H](CNCc1ccco1)c1ccccc1)N1CCOCC1 78553754 FIFZTSNXGKNWDW-QGZVFWFLSA-N 314.385 2.012 0 40 DEAB CCOCCNC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 79361584 HZHFPGGZANHOKJ-UKRRQHHQSA-N 324.808 2.012 0 40 DEAB O=C(Nc1ccnnc1)N1CCOC[C@H]1c1ccc(F)cc1 573542048 FSMAVDZVXYZSBX-AWEZNQCLSA-N 302.309 2.221 0 40 DEAB CN(CC(=O)O)[C@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 192006097 XVYNWBRGWOHLJS-ZDUSSCGKSA-N 312.360 2.336 0 40 DEAB COC[C@@H](C)NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814824 YDNUGSVHZXIBHB-GFCCVEGCSA-N 303.362 2.129 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 222993771 URZOFGASSGBFMC-KGLIPLIRSA-N 302.403 2.029 0 40 DEAB CN(Cc1ccccn1)[C@H]1C=CC2(CC1)CCN(C(N)=O)CC2 96159849 URZXWORLRVZOLE-INIZCTEOSA-N 314.433 2.393 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(C(C)C)nn1C 96461689 JEKWGMGDZKJKEA-CHWSQXEVSA-N 321.421 2.395 0 40 DEAB CCc1ccc(C(=O)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 96414053 CNXONVVGZXJMPI-GFCCVEGCSA-N 314.307 2.142 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](c2cc(N)n3nccc3n2)C1 95698893 FDCQVBRKSKWNJT-LLVKDONJSA-N 317.393 2.426 0 40 DEAB O=C(NCc1nc(-c2ccccn2)n[nH]1)C1CCC(F)(F)CC1 577702446 OHPCXUZJJPQLKW-UHFFFAOYSA-N 321.331 2.308 0 40 DEAB COc1cc(CCC(=O)NCC2(CC(=O)O)CCCCC2)on1 96232747 PAYNOXKWEQAOAQ-UHFFFAOYSA-N 324.377 2.157 0 40 DEAB CC(C)(C)c1nnc(NC2=NS(=O)(=O)c3ccccc32)s1 95470294 ULFNHTDJPQWFGF-UHFFFAOYSA-N 322.415 2.397 0 40 DEAB CCc1cnc(N2CCN([C@H](C)c3nnc(C)o3)CC2)s1 96441512 BKRTUQJVQSYWRE-SNVBAGLBSA-N 307.423 2.280 0 40 DEAB Cc1c(CN(C)C(=O)NC[C@@H]2CCOC(C)(C)C2)cnn1C 579203172 CXDKZJWZRMHRDI-CYBMUJFWSA-N 308.426 2.075 0 40 DEAB CC(C)OCc1ncn2c1CN(C(=O)c1ccco1)CCC2 96059052 YZMGUIUMYMVMDF-UHFFFAOYSA-N 303.362 2.447 0 40 DEAB Cc1noc(C)c1CN1CCn2c(CN(C)C(C)C)cnc2C1 96201056 ZKMQERUUZAZYAV-UHFFFAOYSA-N 317.437 2.344 0 40 DEAB Cc1ccc(N2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)nn1 96199603 ZRXDJSOTJCYDPA-INIZCTEOSA-N 322.412 2.428 0 40 DEAB c1cc(CNC[C@@H]2Cn3nnc(-c4ccsc4)c3CO2)co1 96061028 ICHUKBQSXLLPHY-CYBMUJFWSA-N 316.386 2.288 0 40 DEAB Cc1ccc(N2CCC[C@]3(CCN(c4cccnc4)C3=O)C2)nn1 96224532 ZKGYLXZEHHJPFC-SFHVURJKSA-N 323.400 2.204 0 40 DEAB Cc1ccc(CN2CC3(C[C@@H](Oc4ncccn4)CCO3)C2)o1 248096659 MQBHWXMCVSWIFD-AWEZNQCLSA-N 315.373 2.190 0 40 DEAB CO[C@@H]1CN(Cc2cnc[nH]2)C[C@]12C[C@H](c1ccccc1)CO2 585291709 RXSQTHZPCUSMPF-CGTJXYLNSA-N 313.401 2.183 0 40 DEAB CN(C(=O)c1nn(CC(F)(F)F)cc1N)C1CCCCC1 685936295 OWFDUORIYCEWKO-UHFFFAOYSA-N 304.316 2.432 0 40 DEAB CCc1nc(CS(=O)(=O)Cc2noc(C3CC3)n2)cs1 49003294 GZQPZMNUJGGFAH-UHFFFAOYSA-N 313.404 2.081 0 40 DEAB NC(=O)[C@@H](NC(=O)Cc1cccc2cccnc12)c1ccccc1 55149395 SZPXLJBWLUDZNC-SFHVURJKSA-N 319.364 2.120 0 40 DEAB CCN1CCN(CC(=O)Nc2cc(C)no2)c2ccccc21 69668948 CZEOAKCZJXOWCJ-UHFFFAOYSA-N 300.362 2.268 0 40 DEAB CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1(C)C 96419326 AYHFHGIMGAVWLP-NEPJUHHUSA-N 310.419 2.123 0 40 DEAB O=C(CN1CCCCC1=O)Nc1csc(N2CCCCC2)n1 97047357 ZBFNBNPLMYWHRJ-UHFFFAOYSA-N 322.434 2.084 0 40 DEAB CS(=O)(=O)N(Cc1ccccn1)Cc1cccnc1Cl 89484424 JTUQVNMXKZUEAU-UHFFFAOYSA-N 311.794 2.092 0 40 DEAB Cc1ccc(-n2nnnc2N2CCc3c(ncn3C3CC3)C2)cc1 95394219 JGLUNNNXWSJJKO-UHFFFAOYSA-N 321.388 2.065 0 40 DEAB CC(C)(C)OC(=O)[C@]12COC[C@H]1CN(Cc1ccccc1)C2 1536221607 WQWIZVCYTAYURL-CRAIPNDOSA-N 303.402 2.477 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 5043831 IYYCNRSLERBFNP-DVOMOZLQSA-N 316.401 2.305 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13119518 RBCLQHYNMDGQIU-RNJOBUHISA-N 309.749 2.465 0 40 DEAB CCCN1C(=O)/C(=C\c2cccc(OC)c2OC)NC1=S 14232119 DEOQBGSNLWKHEB-PKNBQFBNSA-N 306.387 2.171 0 40 DEAB CCN1CCN([C@H](c2nnnn2CCC(C)C)C(C)C)CC1 19528105 SLEDQLPHRIHZMY-HNNXBMFYSA-N 308.474 2.054 0 40 DEAB NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1C(=O)O 19832207 KLMYPPLYKZLSNN-MNDPQUGUSA-N 308.293 2.462 0 40 DEAB NC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N 19957020 SCWREMHUUHLWHQ-UHFFFAOYSA-N 313.338 2.373 0 40 DEAB CC(C)[C@@H](C)NC(=O)Cn1ccnc1[C@@H](O)c1ccccc1 154862128 AUHHYEUNKCVVJP-CJNGLKHVSA-N 301.390 2.126 0 40 DEAB O[C@@H]1CN(CC2CCOCC2)C[C@]12C[C@H](c1ccccc1)CO2 643586013 ODKAMLSBFSYPFH-IPMKNSEASA-N 317.429 2.032 0 40 DEAB O=C(CNC(=O)c1ccoc1)Nc1ccccc1Br 16201544 LVVIUXINUBGMOO-UHFFFAOYSA-N 323.146 2.411 0 40 DEAB Nc1nccnc1C(=O)NCc1ccc(-c2ccc(F)cc2)o1 29675537 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Cc1ccc(NC(=O)COc2ccccc2C(N)=O)cc1F 3429441 NKOZPGGJZWLXJC-UHFFFAOYSA-N 302.305 2.251 0 40 DEAB CCNC(=O)NC(=O)CSc1ccc(Br)cc1 3547802 FHXZEHZSDMJSRF-UHFFFAOYSA-N 317.208 2.387 0 40 DEAB CN1CCc2ncnc(N(C)Cc3ccc(F)c(F)c3)c2C1 65575370 SVSFQHOBRMCKTC-UHFFFAOYSA-N 304.344 2.379 0 40 DEAB Cc1cccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)c1 65531672 OXJRDQVKJRNDAJ-ZIAGYGMSSA-N 324.446 2.063 0 40 DEAB CCN(C(=O)COc1ccc(N2CCCC2=O)cc1)C1CC1 65624471 JVUGQGLUSFJMFF-UHFFFAOYSA-N 302.374 2.203 0 40 DEAB COC(=O)CNC(=O)c1cc(-c2ccccn2)nc2ccccc12 17440548 PLQYNLWNYYGFQH-UHFFFAOYSA-N 321.336 2.200 0 40 DEAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 69769822 FTZBUSDYFLIWFW-JTQLQIEISA-N 317.320 2.476 0 40 DEAB O[C@@]1(CN[C@H]2CCc3c(Br)cccc32)CCOC1 91405851 ZSLRWXJUOUDBSQ-UONOGXRCSA-N 312.207 2.177 0 40 DEAB COc1cc(CNC(=O)c2ccccn2)cc(OC)c1OC 15137021 DYRWKWZIQFUYDM-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB CCOC(=O)c1cnc2nc(-c3ccc(Cl)cc3)nn2c1O 8970563 SHIVKZDYIODMEY-UHFFFAOYSA-N 318.720 2.327 0 40 DEAB Cn1ccc(NC(=O)N[C@H]2CCCN(c3ccccc3F)C2)n1 96485979 NCYDZLSHKSBZLQ-LBPRGKRZSA-N 317.368 2.350 0 40 DEAB C[C@@H](NC(=O)NCc1ccccc1-n1cccn1)c1cnn(C)c1 96439540 MFMMDWHDHWLWNS-CYBMUJFWSA-N 324.388 2.166 0 40 DEAB Cc1cc(C)n(C2CN(CC(=O)N(C)Cc3cccs3)C2)n1 71880948 AHYGFJSWPHZSOU-UHFFFAOYSA-N 318.446 2.077 0 40 DEAB CCOC1CCN(C(=O)c2cc(C)nc3c2c(C)nn3C)CC1 71820688 KQCNGZLCSUTFRC-UHFFFAOYSA-N 316.405 2.226 0 40 DEAB O=C(C[S@](=O)Cc1ccc(F)cc1Cl)NCC1CC1 71858898 LVIZVXJZSYJKEB-IBGZPJMESA-N 303.786 2.254 0 40 DEAB COc1ccccc1[C@@H](O)CNCc1cccc2c1OCCO2 71819635 AHMCXFSWXAAIML-HNNXBMFYSA-N 315.369 2.290 0 40 DEAB CCc1sc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cc1C 76053645 KQMYRVGAFVGPFL-UONOGXRCSA-N 322.474 2.412 0 40 DEAB CN(CCOCC(F)(F)F)S(=O)(=O)c1ccc(F)cc1 97082442 BFSKNZHSNHJTLL-UHFFFAOYSA-N 315.288 2.025 0 40 DEAB C[C@@H](Cc1cccs1)NC(=O)Nc1cncnc1N(C)C 97083113 KLJJLCZLJORANX-JTQLQIEISA-N 305.407 2.357 0 40 DEAB C[C@H](NC[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1N(C)C 97033476 KTGXAIFCTSVXJI-GRDNDAEWSA-N 319.449 2.039 0 40 DEAB COc1ccc(NC(=O)c2cc(=O)n(C)c3ccccc23)cn1 72405113 CODBDVSZBPGCQQ-UHFFFAOYSA-N 309.325 2.194 0 40 DEAB NC(=O)CN(C(=O)[C@H]1C[C@H]1c1ccccc1F)C1CCCC1 84501898 PJYCCSJQTCWENM-KBPBESRZSA-N 304.365 2.186 0 40 DEAB Cc1nsc(N2CCCN(C(=O)c3cccs3)CC2)n1 78251809 WXEVDIRQINASHH-UHFFFAOYSA-N 308.432 2.261 0 40 DEAB C[C@](NCc1ccno1)(C(N)=O)c1cccc(C(F)(F)F)c1 95408734 QMROZHBZZROWET-CYBMUJFWSA-N 313.279 2.184 0 40 DEAB CC[C@H]1COCCN1C(=O)NCc1ccc(CN(C)C)c(F)c1 95447914 FXDKMUTXLBOZBG-HNNXBMFYSA-N 323.412 2.208 0 40 DEAB C[C@@]1(CCCO)CCCN1Cc1nc(-c2cccnc2)no1 95454745 ASMWTVAHLQIRJS-INIZCTEOSA-N 302.378 2.259 0 40 DEAB Cc1[nH]ccc1C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1=O 88237647 IYWSUEFGFXTWTO-CYBMUJFWSA-N 319.311 2.137 0 40 DEAB Cc1cc(=O)c(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c[nH]1 89568412 MWQSXGZJIDPKDQ-SUMWQHHRSA-N 312.369 2.286 0 40 DEAB Cc1ccc(-c2nc(C(=O)N3CCN(C)C[C@@H]3C)cs2)o1 89656165 SGZICUBGHTXKGO-JTQLQIEISA-N 305.403 2.488 0 40 DEAB CC(C)(C)NS(=O)(=O)Cc1cccc(NCc2ncc[nH]2)c1 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O=C(Cn1ccc2ccccc21)N1CC[C@H](Oc2cnccn2)C1 225791710 RZGYNQWASOWPMO-HNNXBMFYSA-N 322.368 2.111 0 40 DEAB C[C@@H](c1cccs1)N(C)C(=O)COn1nnc2ccccc21 96428805 CDBOLGVQEIVUDO-NSHDSACASA-N 316.386 2.141 0 40 DEAB Cc1c(CNC(=O)[C@@H](c2ccc(Cl)cc2)N(C)C)cnn1C 576834883 VDTVWCFCYRRRIU-OAHLLOKOSA-N 320.824 2.301 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@H]1c1cccs1 96181169 DILFRROBFHQRDF-KWQFWETISA-N 307.400 2.363 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1[nH]c(C)cc1C)CC2 96472967 XJIZDTOYUHLRDN-KGLIPLIRSA-N 306.406 2.024 0 40 DEAB Cc1cccc(CO[C@H]2C[C@H]3CN(CC4CC4)CCN3C2)n1 96055109 PLAAWENGSOKAHA-ROUUACIJSA-N 301.434 2.075 0 40 DEAB Cc1cnc(N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)nc1 96077548 GAFHSIJILOLPCE-INIZCTEOSA-N 314.414 2.480 0 40 DEAB CCn1cc(C(=O)Oc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cn1 96442600 CZFJJHWHUXBSEW-UHFFFAOYSA-N 324.340 2.181 0 40 DEAB O=C(N[C@@H]1CC=CCC1)[C@@H](c1cccc(F)c1)N1CCOCC1 96425252 VFUDBBUIJMXRRS-IAGOWNOFSA-N 318.392 2.424 0 40 DEAB CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cccc(F)c3)CC2)O1 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NCc1cccc(-c2cccnc2C(=O)NCCN2CCCC2)c1 257336760 YPYAORNWBRCVMG-UHFFFAOYSA-N 324.428 2.033 0 40 DEAB O=C(O)CCC1CCN(C(=O)Cc2ccc3c(c2)OCO3)CC1 540785478 ICZZCRWOBAGRRI-UHFFFAOYSA-N 319.357 2.061 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCc1c[nH]c2ccccc12 585149508 BLUKXBPQYMLZEE-ZFWWWQNUSA-N 313.401 2.192 0 40 DEAB NC(=O)[C@H](NCc1ccc(Cn2cccn2)cc1)c1ccccc1 54615612 QWSZEQXTIQWVSL-GOSISDBHSA-N 320.396 2.248 0 40 DEAB CN[C@@H]1CCCN(C(=O)c2cc(Br)ccc2F)C1 53202637 BQIQXUGDQRRVQY-SNVBAGLBSA-N 315.186 2.412 0 40 DEAB Brc1ccccc1-n1nnnc1CN1CCCCC1 68964802 JXHAYZOUULYYIU-UHFFFAOYSA-N 322.210 2.411 0 40 DEAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cc1 13264798 WERNLGYQNHAHFH-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB CC1(C)CCN(Cc2nc(C3CCCC3)no2)CC[S@@]1=O 517290698 PMWDHXJVOAQACN-NRFANRHFSA-N 311.451 2.460 0 40 DEAB Cn1cccc1C(=O)N1CC[C@@H](c2noc(C(F)(F)F)n2)C1 238889341 QLGCRHPTFMIUBL-MRVPVSSYSA-N 314.267 2.057 0 40 DEAB CCC(C)(C)C(=O)NC1CN(c2ncnc3ccsc23)C1 1888844020 QODVRSCOCJPFNW-UHFFFAOYSA-N 304.419 2.432 0 40 DEAB CSc1nc(C2CCC2)cc(N2CCN(C(C)=O)CC2)n1 1888850131 ULWQMIXVTIJFQD-UHFFFAOYSA-N 306.435 2.135 0 40 DEAB CC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888850355 UZULOAMDOGDWPD-IYBDPMFKSA-N 308.385 2.058 0 40 DEAB CC(C)c1noc(CN2CCC(COc3ncccn3)CC2)n1 1775995587 AQEOMUNAFLJDJT-UHFFFAOYSA-N 317.393 2.274 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)C2CCC2)CC1 1068631003 BJDMOFRMGBSZOC-UHFFFAOYSA-N 308.813 2.357 0 40 DEAB CSc1ccccc1C(=O)N1CCCN([C@H]2CCOC2)CC1 1565522549 TWTRGKJLYDIZAT-AWEZNQCLSA-N 320.458 2.345 0 40 DEAB O=C(NC1CN(c2ncnc3ccsc23)C1)[C@H]1CC=CCC1 1775975628 LEZLBYUNIZZVQC-NSHDSACASA-N 314.414 2.352 0 40 DEAB CSCC[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 119158630 IQXPSAXKKBHGIV-GFCCVEGCSA-N 323.393 2.060 0 40 DEAB Cc1cc(-c2ccccc2)n(-c2cc(N3CCOCC3)ncn2)n1 337849 VKQJNZFKHXRWBM-UHFFFAOYSA-N 321.384 2.474 0 40 DEAB COC(=O)c1cccn1C1CCN(C(=O)CC(F)(F)F)CC1 69515291 SVNSNEXWPYIHRG-UHFFFAOYSA-N 318.295 2.391 0 40 DEAB Cc1ccccc1C(=O)Oc1ccc2cc(C(N)=O)c(=O)oc2c1 941576 JHKQZRZVXUXASF-UHFFFAOYSA-N 323.304 2.420 0 40 DEAB CO[C@@]1(C)C[C@@H](O)C12CCN(C(=O)CCc1ccsc1)CC2 91690464 LKXCXBBYYASEQG-ZBFHGGJFSA-N 323.458 2.459 0 40 DEAB COc1cccc(CO[C@@H](C)C(=O)Nc2cc(C)nn2C)c1 40525088 YSHSWNXLVMGOET-LBPRGKRZSA-N 303.362 2.281 0 40 DEAB O=C(c1cc[nH]n1)N1CCN(Cc2ccc(Cl)s2)CC1 40544270 YHKNKVKBWNPRFV-UHFFFAOYSA-N 310.810 2.083 0 40 DEAB CC(C)(C)NC[C@H](O)COc1ccccc1OC[C@@H]1CCCO1 1846356 AKLNLVOZXMQGSI-GJZGRUSLSA-N 323.433 2.372 0 40 DEAB in-man CN(C(=O)[C@H]1C[C@H]1c1ccco1)c1ccccc1S(C)(=O)=O 83869787 ALEYOEWSKIXWMI-NEPJUHHUSA-N 319.382 2.450 0 40 DEAB CN(Cc1ccnn1C)C(=O)c1cc(-c2cccs2)on1 2802895 DRBJUKJNPHMKIJ-UHFFFAOYSA-N 302.359 2.409 0 40 DEAB Cc1csc([C@@H](NC(=O)N(CCO)CC2CC2)C2CC2)n1 89705368 VXGSQIDYCLJSRI-ZDUSSCGKSA-N 309.435 2.317 0 40 DEAB CCOc1ccc(NC(=O)CSc2nnc3n2CCC3)cc1 4614474 UADZVBFMWNMXSN-UHFFFAOYSA-N 318.402 2.354 0 40 DEAB O=C(CSc1cccc[n+]1[O-])c1ccc2c(c1)OCCO2 7507337 CFENJXMNVZYRHD-UHFFFAOYSA-N 303.339 2.066 0 40 DEAB Cn1ncc2c(Nc3cccc(NC(=O)C4CC4)c3)ncnc21 29526666 YLAGNRNSHGCDMV-UHFFFAOYSA-N 308.345 2.455 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102034967 NWWBRFKGESLTTG-OKILXGFUSA-N 312.369 2.193 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1nc(-c2ccccc2)oc1C 32738224 CWMZMGZBZOCUJH-LLVKDONJSA-N 315.373 2.295 0 40 DEAB CC(C)N1C[C@H](C(=O)NCCSc2ccccc2)CC1=O 32816335 CLXMBCTWKQIVJK-CYBMUJFWSA-N 306.431 2.152 0 40 DEAB CCCn1nc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1=O 107309452 JZTMKUWNIDZHGZ-XUXIUFHCSA-N 303.406 2.208 0 40 DEAB O=C(CNc1nccc(C(F)(F)F)n1)NCc1ccccc1 32923730 VFMLKDJNNMYFTP-UHFFFAOYSA-N 310.279 2.224 0 40 DEAB COc1cccc(-c2nc(/C=C3\NC(=S)NC3=O)cs2)c1 9255774 KAWFHOVQNQHVLX-WDZFZDKYSA-N 317.395 2.164 0 40 DEAB CN1C(=O)C[C@@H](NC(=O)c2ccon2)[C@H]1c1ccc(Cl)cc1 91771588 VCMHCFCUJATMAA-TZMCWYRMSA-N 319.748 2.030 0 40 DEAB Cc1ccc(CN(C(=O)N[C@@H](C)c2nncn2C)C2CC2)o1 46962863 CYFNKBUUEPDEMM-NSHDSACASA-N 303.366 2.152 0 40 DEAB CN(CC(=O)Nc1ccccc1SCC(N)=O)C1CCCC1 53436252 SUBQBDPUZNIDEV-UHFFFAOYSA-N 321.446 2.077 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2ccccn2)[C@H]1c1cccc(F)c1 61720990 JKXUWGYKVZVOIT-XJKSGUPXSA-N 313.332 2.379 0 40 DEAB CNC(=O)Cn1ccc2ccc(NC(=O)c3cscn3)cc21 75805763 KTZBMOLHCQPIJG-UHFFFAOYSA-N 314.370 2.096 0 40 DEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(CN2CCOCC2)cc1 100309001 FFZYPUYWTIIDEL-NXHRZFHOSA-N 314.429 2.437 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@@H]2[C@H](C1=O)c1cccc(O)c1N2C 21981299 HTFQMVKUVPTRGT-JGGQBBKZSA-N 311.385 2.478 0 40 DEAB Cc1nn(C)cc1CCC(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 76090536 JAHBXCTUVBMUAG-CWRNSKLLSA-N 306.406 2.408 0 40 DEAB COc1c(C)c2c(c(O)c1CC[C@]1(C)CCC(=O)O1)C(=O)OC2 67665250 GNWIDHOJWGSPTK-QGZVFWFLSA-N 320.341 2.408 0 40 DEAB in-vitro O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC2(CC1)OCCO2 24997072 PGRCNGVIQDNHMD-CQSZACIVSA-N 323.776 2.009 0 40 DEAB CCOC(=O)c1sc(NC(=S)NC(=O)C2CC2)cc1C 3257189 CCMRBONTVGUDHQ-UHFFFAOYSA-N 312.416 2.456 0 40 DEAB COCCn1c(C(=O)OCc2cnn(C)c2)cc2ccccc21 76871834 FEISLPVUYAXUBK-UHFFFAOYSA-N 313.357 2.378 0 40 DEAB CN(C(=O)[C@H](Cc1ccccc1)n1cnnn1)c1ccccc1 25462439 KRHTXBDCEFASJW-INIZCTEOSA-N 307.357 2.120 0 40 DEAB O=C(O)CCN(CCC(=O)O)c1ccc(Br)cc1 1750815 SLUIKARRCXXCNV-UHFFFAOYSA-N 316.151 2.205 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@@H]1CCCO1 108356245 NRIKEQPJCFLNCF-SYAUCNOPSA-N 320.389 2.290 0 40 DEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cn1 3379745 JWYILWPUELTVJL-UHFFFAOYSA-N 303.293 2.028 0 40 DEAB CCCn1nc(C(=O)Nc2nc(C(C)C)cs2)ccc1=O 44874726 IBCIJUIQFZNUSX-UHFFFAOYSA-N 306.391 2.486 0 40 DEAB CC(C)N(C(=O)COc1cc(Cl)ccc1C(N)=O)C(C)C 58290095 ORHDIHPDZGHHNU-UHFFFAOYSA-N 312.797 2.463 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCCc1cccc(F)c1 44952299 CBNRIJUWXWNRGN-HNNXBMFYSA-N 316.380 2.479 0 40 DEAB O=C(CNC(=O)NC1CCCC1)Nc1ccc(F)c(F)c1F 10383976 WFJHNZXDZZFLIX-UHFFFAOYSA-N 315.295 2.284 0 40 DEAB O=c1oc(-c2ccccc2)nn1C[C@@H](O)c1cccc(F)c1 58343081 XTOTZYYFPZBWNH-CQSZACIVSA-N 300.289 2.376 0 40 DEAB CN(C)C(=O)CN(C)C(=O)CCSc1ccccc1Cl 58343964 GJUWXFFRAFTECF-UHFFFAOYSA-N 314.838 2.369 0 40 DEAB CONC(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C 10893277 HRDKUOWCAFAJTE-LLVKDONJSA-N 319.188 2.425 0 40 DEAB Cc1ccnc(NC(=O)CN(C)c2nc(C3CC3)ns2)c1 80977567 ZVHPJBGAUIVSPC-UHFFFAOYSA-N 303.391 2.194 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 13135196 ZESBXFXATWVASG-UHFFFAOYSA-N 313.309 2.132 0 40 DEAB C[C@@H](OC(=O)CCc1ccc(-c2ccccc2F)o1)C(N)=O 16320443 SQEKTZRYNSAPEP-SNVBAGLBSA-N 305.305 2.435 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCc2ccc(C(N)=O)cc2)cc1 16744286 FEBJZXUPKAYROH-UHFFFAOYSA-N 312.325 2.101 0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)c2cccc(F)c2F)C1 65554742 LDEQPFDWJFQBRV-GFCCVEGCSA-N 312.360 2.051 0 40 DEAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)[nH]n1 70038614 HMSCKERLANXQRY-HNNXBMFYSA-N 315.421 2.500 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 6608982 KEADMTJSUNIGRM-UHFFFAOYSA-N 319.338 2.071 0 40 DEAB CCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OCC)c1 4711536 MMFLPYKWNNJBRV-UHFFFAOYSA-N 320.389 2.439 0 40 DEAB CCN(C)[C@H](C(=O)NCCc1nccs1)c1ccccc1 69418851 NZHMCCNCYSXBFT-HNNXBMFYSA-N 303.431 2.495 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC[C@H](O)C1 7063714 DZEIYOXEWBWDRQ-DLBZAZTESA-N 321.461 2.489 0 40 DEAB CN(CC(C)(C)O)C(=O)Cc1ccc(Br)cc1 92510817 WGOHMMWUTVUYRQ-UHFFFAOYSA-N 300.196 2.221 0 40 DEAB Cc1cc(S(=O)(=O)NC[C@@](C)(O)c2ccccc2)ccc1F 70961272 LYDWKQPCEJVAGE-MRXNPFEDSA-N 323.389 2.320 0 40 DEAB C[C@H](C(=O)NCc1nccs1)N1CCc2ccccc2C1 71897876 YFPNGZKRPUMFPI-GFCCVEGCSA-N 301.415 2.206 0 40 DEAB CCO[C@@H]1C[C@@H](Nc2ccc3nnnn3n2)C12CCCCC2 72296186 BSCGZALFQMRDDK-VXGBXAGGSA-N 302.382 2.059 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)c(C)n1CC1CC1 72270983 SCTQAXRAEAEAJB-OAHLLOKOSA-N 312.417 2.456 0 40 DEAB C[C@H]1C[C@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1 78947671 WOJJQFZLHPCXRE-WMLDXEAASA-N 320.408 2.458 0 40 DEAB Cn1c(C(=O)N[C@@H]2CCc3nccn3C2)cc(Cl)c1Cl 97197938 VHNMQGPRPJIQRD-MRVPVSSYSA-N 313.188 2.273 0 40 DEAB Cc1nc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)sc1C 97234403 MNFRNGDZSULPHI-ZIAGYGMSSA-N 322.478 2.386 0 40 DEAB O=C(c1ccc(Cl)s1)N1CCN([C@H]2CCC[C@@H]2O)CC1 84445179 PZNIHVFTMQRAIE-QWRGUYRKSA-N 314.838 2.073 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cccc(Cl)c1 79247462 RNKNCEGKDXKJOS-FXSSULRXSA-N 306.793 2.466 0 40 DEAB COCc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C[C@H](C)N2 95471703 KUDNLKDZXVWHJZ-CMPLNLGQSA-N 318.377 2.235 0 40 DEAB Cc1cc(C)nc(Nc2cccc(C(=O)NCCN(C)C)c2)n1 95479176 GPBWWMXBMVLXRU-UHFFFAOYSA-N 313.405 2.128 0 40 DEAB CC(C)(C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)C1CCCC1 95441309 HRELDVUKFKIANA-OAHLLOKOSA-N 322.449 2.099 0 40 DEAB O=C(NC[C@@H](O)c1cc2ccccc2s1)c1csnn1 95417056 UCZMDBVYASIBTC-SNVBAGLBSA-N 305.384 2.216 0 40 DEAB CCn1cc(S(=O)(=O)Nc2ccccc2N(C)C)nc1C 95453618 ROGFWTNUBNMMAG-UHFFFAOYSA-N 308.407 2.078 0 40 DEAB C[C@@H](OC1CCCCCC1)C(=O)N1CCC(OCCO)CC1 95459256 CGSSSCKLGCJUFO-CQSZACIVSA-N 313.438 2.114 0 40 DEAB O=C(c1cccc(-n2cccc2)c1)N1CCOC[C@H]1c1ncon1 95981344 ZRQACXUPDYQMRV-HNNXBMFYSA-N 324.340 2.074 0 40 DEAB Cc1cccc(C(=O)N[C@@H](C)C(=O)Nc2cnc(C3CC3)nc2)c1 95980386 MDMZMJCDCDOKHI-LBPRGKRZSA-N 324.384 2.419 0 40 DEAB C[C@@H]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 95996182 BIKJUCAUJCZUFJ-IAGOWNOFSA-N 324.513 2.092 0 40 DEAB Cc1nc(-c2ccccc2)ncc1C(=O)N(C)Cc1nccn1C 89544573 LTIKOAGLLAHRJO-UHFFFAOYSA-N 321.384 2.458 0 40 DEAB Cc1cccc(C)c1Cn1nnnc1CNC(=O)OC(C)(C)C 89688791 ARXVTYBRRPRCJN-UHFFFAOYSA-N 317.393 2.363 0 40 DEAB Cc1nc(NC(=O)N(C)[C@H]2CCOC2)ccc1Br 128516525 VQVSWEBSBAHBGL-VIFPVBQESA-N 314.183 2.405 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N(C)C)cc1 170387528 CHAGRBGHHBRKDF-SWLSCSKDSA-N 303.406 2.386 0 40 DEAB CC(C)[C@H](NS(=O)(=O)Cc1cc(Cl)ccc1F)C(=O)O 547599876 RZFYMPXPSSYINY-NSHDSACASA-N 323.773 2.008 0 40 DEAB O=C(CC1(n2cccc2)CCOCC1)NCCn1cccc1 524734687 CNZFDLOABZJLKN-UHFFFAOYSA-N 301.390 2.002 0 40 DEAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 31773284 PRNIEGHLTHHBAJ-NEPJUHHUSA-N 313.469 2.497 0 40 DEAB COc1ccc([C@@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218097598 SXJFNECNOKYECL-ZACQAIPSSA-N 317.410 2.210 0 40 DEAB CCc1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc1 38783873 ZDRYZVQNTKQXLP-UHFFFAOYSA-N 305.341 2.299 0 40 DEAB CCCNC(=O)c1cccc(C(=O)NC2CCSCC2)c1 78101024 ILRZBFDHHQLBHB-UHFFFAOYSA-N 306.431 2.452 0 40 DEAB O=S(=O)(C[C@@H]1CCCO1)Nc1cnoc1-c1ccccc1 182489515 ZDMUWYGLXFYSKW-LBPRGKRZSA-N 308.359 2.262 0 40 DEAB C[C@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2ccc3c(c2)CCCO3)C1 567878603 BUVRZEOLFUOSEH-SWLSCSKDSA-N 317.385 2.123 0 40 DEAB NC(=O)N1CCC(NCc2ccccc2C(F)(F)F)CC1 61626200 VOFPXHBUSKZPKR-UHFFFAOYSA-N 301.312 2.338 0 40 DEAB C[C@@H]1CN(C(=O)c2cn(-c3ccc(F)cc3)cn2)C[C@@H](C)O1 226753811 GEEHFIMHVRTFFR-VXGBXAGGSA-N 303.337 2.261 0 40 DEAB Cc1nnc2sc(C34CC5CC(CC(C5)C3)C4)nn2c1=O 80346526 SDXGTBGQKFFETB-UHFFFAOYSA-N 302.403 2.322 0 40 DEAB C[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)CCS1(=O)=O 192051891 MIEWHVLRPOSTRT-ZDUSSCGKSA-N 319.430 2.086 0 40 DEAB O=C(CCN1CCn2ccnc2C1)NCc1ccccc1Cl 97201664 RDJWARGUPZBAJX-UHFFFAOYSA-N 318.808 2.059 0 40 DEAB O=C1C[C@@]2(CCN(Cc3cccs3)C2)CN1c1cncnc1 96239200 IEJGOMMPVBIDHK-MRXNPFEDSA-N 314.414 2.167 0 40 DEAB CCc1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)n(C)n1 95413313 RDACSDUFQMQBQZ-CMPLNLGQSA-N 306.366 2.209 0 40 DEAB Cc1cc(C(=O)NCCCOC(C)C)ccc1-n1cncn1 96426129 NEOKDVVOGWQZDH-UHFFFAOYSA-N 302.378 2.121 0 40 DEAB c1ccc(-c2nnn3c2CO[C@@H](CNCc2cccnc2)C3)cc1 96061090 AKZHYEDXYWJVDE-INIZCTEOSA-N 321.384 2.029 0 40 DEAB CCCS(=O)(=O)NC1CCN(c2ccncc2Cl)CC1 96453997 LKHFBEQHBDSXDW-UHFFFAOYSA-N 317.842 2.033 0 40 DEAB CO[C@@H](CNC(=O)N1CCO[C@@H](C)C1)c1ccc(Cl)cc1 96440863 QTFZUPXRNRGSKT-FZMZJTMJSA-N 312.797 2.458 0 40 DEAB CC(C)=CCOc1cccc(C(=O)N(C)[C@@H]2CCN(C)C2=O)c1 96425280 WEQTYMXRUYRWRO-MRXNPFEDSA-N 316.401 2.334 0 40 DEAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)nc1 96058046 SXHNNXAFSUUPAU-LZLYRXPVSA-N 311.385 2.287 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccco1)C2 96198280 FCDMEZQEHALIEP-AWEZNQCLSA-N 315.373 2.179 0 40 DEAB CN(C)C(=O)N1CC[C@@]2(CCCN(Cc3ccccn3)C2)C1 96046970 LOWKTAVMTXEYOK-QGZVFWFLSA-N 302.422 2.051 0 40 DEAB O=C(NC1CC1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 97943937 HHXYGVICBLLGGU-ZDUSSCGKSA-N 318.764 2.095 0 40 DEAB c1cc([C@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)ncn1 96046114 XFWOWAUDRRFKCJ-IACUBPJLSA-N 302.403 2.285 0 40 DEAB CCC(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 96040447 VETLYKFUVQIOFM-YOEHRIQHSA-N 304.390 2.268 0 40 DEAB Cc1nc([C@H](NC(=O)c2cc[nH]n2)c2ccc(Cl)cc2)no1 92527493 QMMOMLUFWZUKPT-GFCCVEGCSA-N 317.736 2.274 0 40 DEAB CCOc1ccsc1C(=O)N1CC2(C[C@H](OC)CS2)C1 247893233 UGTWLFLSNVSPLE-JTQLQIEISA-N 313.444 2.493 0 40 DEAB Cc1cc(O)nc([C@@H]2CN(Cc3ccc(C)s3)CCO2)n1 257223941 DZPIQZGXTMAMGY-ZDUSSCGKSA-N 305.403 2.434 0 40 DEAB Cc1ncc(C(=O)N2CCC(C)(c3nccs3)CC2)cn1 257282186 OSSWPHKPWHIZBL-UHFFFAOYSA-N 302.403 2.435 0 40 DEAB Cc1cc([C@@H]2CCCCN2Cc2nccn2C)nc2nccn12 257221866 DQVZQZMUAAGMIA-HNNXBMFYSA-N 310.405 2.498 0 40 DEAB C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 261637968 DPPMAGNINDKTAE-GVARAGBVSA-N 321.348 2.305 0 40 DEAB COCC[C@@](C)(O)CNC(=O)NC12CC3CC(CC(C3)C1)C2 388929369 BPECZGDWUFWWQQ-QUZGTJOHSA-N 310.438 2.042 0 40 DEAB CO[C@@H]1CN(C(=O)c2cnc[nH]2)CC[C@@H]1Cc1ccc(F)cc1 585278173 MBQLYGFLUWKVEF-CZUORRHYSA-N 317.364 2.269 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)C(=O)NCCC1=CCCCC1 42381888 PCJBWBZBHGSDRU-ZDUSSCGKSA-N 304.390 2.334 0 40 DEAB CNC(=O)C1CCN([C@@H](C(=O)OC)c2ccccc2Cl)CC1 43610305 GFAQVZBESFLYFW-CQSZACIVSA-N 324.808 2.012 0 40 DEAB CCOc1cccc2c1OCC(C(=O)NC[C@H]1CCCO1)=C2 44939203 RHDSBBQFBYCPRU-CQSZACIVSA-N 303.358 2.156 0 40 DEAB COCCN1CC[C@@H](CNC(=O)C[C@@H](C)c2ccc(F)cc2)C1 68491991 WKSAVDXVOWLNIJ-CABCVRRESA-N 322.424 2.404 0 40 DEAB CCN1CCC[C@H]1CNS(=O)(=O)c1cc(C)c(F)cc1F 97165426 BIMHJGYUVDLABY-NSHDSACASA-N 318.389 2.036 0 40 DEAB O=C(c1cccc(Cl)c1)N1CCN(C2CCOCC2)CC1 81031813 BYYQSFWECBLJOP-UHFFFAOYSA-N 308.809 2.277 0 40 DEAB CC[C@@H](C)OCC(=O)N1CCC(CN)(c2ccccc2)CC1 1577004378 SZGYVNNJKYVRMH-OAHLLOKOSA-N 304.434 2.321 0 40 DEAB COC1=C[C@]23CCCN2CCc2cc4c(cc2[C@@H]3[C]1O)OCO4 1560408829 QHUKPBTVWJUFBJ-AEFFLSMTSA-N 314.361 2.338 0 40 DEAB COC(=O)[C@H](C)Sc1nc2ccccc2n1[C@@H](C)C(=O)OC 5387115 RLBOBWWYCNIGEY-UWVGGRQHSA-N 322.386 2.424 0 40 DEAB COc1ccc(Nc2nnc(C(C)(C)C)c(=O)[nH]2)cc1OC 5154462 JDGHMFHZVYZUBB-UHFFFAOYSA-N 304.350 2.223 0 40 DEAB CCc1cc(N2CCN(c3ccccc3)CC2)n2ncnc2n1 13365059 ZCYBHYLWOKOMLU-UHFFFAOYSA-N 308.389 2.013 0 40 DEAB COc1cccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)c1 16093792 ZRTAPSLMEMHQBK-UHFFFAOYSA-N 322.338 2.234 0 40 DEAB Cn1ncc2c1CCc1sc(NC(=O)c3cccnc3)nc1-2 19289621 WMEGHTBTMHLVAZ-UHFFFAOYSA-N 311.370 2.290 0 40 DEAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19292244 VHUVNTHVQCHTLZ-INIZCTEOSA-N 314.433 2.366 0 40 DEAB COCc1nc2ccccc2n1CC(=O)N[C@@H](C)c1ccccn1 19658239 PZVSQZTWULFNBF-ZDUSSCGKSA-N 324.384 2.455 0 40 DEAB Cc1c(CN2CCC[C@](C)(C(=O)NC3CCCC3)C2)cnn1C 19746711 OGCJNGYKRXIVSZ-SFHVURJKSA-N 318.465 2.389 0 40 DEAB COC(=O)c1cc2c([C@H](O)CNC(C)(C)C)ccc(O)c2[nH]1 5353343 RQEQDAFOHWDQKN-CYBMUJFWSA-N 306.362 2.082 0 40 DEAB Cc1ccnc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889095512 QPEKUFVBRXWSIW-UHFFFAOYSA-N 324.375 2.259 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(N)s2)cc1 24628600 QAPQEQDMFCZAPB-SSDOTTSWSA-N 322.415 2.442 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1Cl 30287772 RRMGDRQKWYIXCH-AOOOYVTPSA-N 319.810 2.147 0 40 DEAB O=C(Cc1cn2ccsc2n1)NCCOc1cccc(F)c1 32914645 LFFCXPVOAGAXNE-UHFFFAOYSA-N 319.361 2.273 0 40 DEAB Cc1cccc(NC(=O)C(=O)NCC2CCN(C(C)C)CC2)c1 12441363 ZYILIEXGIDMFCG-UHFFFAOYSA-N 317.433 2.170 0 40 DEAB CO[C@H](CCSC)CNS(=O)(=O)Cc1ccc(F)cc1 1775968774 VKKGXJUYGAEMIB-CYBMUJFWSA-N 321.439 2.013 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3ncccc3Cl)C2)nc1 2086884487 ZWIDDFUBCORVTH-SNVBAGLBSA-N 306.753 2.191 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)NC[C@H]3CCCO3)cc2c1 40489975 CQNIZZKHDVRVJR-LLVKDONJSA-N 304.346 2.094 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1cccc(F)c1F 69518613 LLCLSLVSUSBGGI-ZYHUDNBSSA-N 310.344 2.010 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1nncn1C 45608972 YNUGDXBJDKKOQI-WDEREUQCSA-N 321.812 2.460 0 40 DEAB O=C(Nc1cccc2c1C(=O)NC2=O)c1cccc(Cl)c1 1508838 ZNIRBFTZWLDDQO-UHFFFAOYSA-N 300.701 2.476 0 40 DEAB CCCCOC(=O)c1ccc(Nc2nnc(C)c(=O)[nH]2)cc1 2553777 DUGYNFWJTLVJKY-UHFFFAOYSA-N 302.334 2.174 0 40 DEAB Cc1[nH]c2[nH]n(-c3nc4ccccc4s3)c(=O)c2c(=O)c1C 10152731 OPSKBLQAUOMAKO-UHFFFAOYSA-N 312.354 2.234 0 40 DEAB CCOc1ccc([C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1 29773854 DHBKGFKDRHWGJI-LRDDRELGSA-N 306.406 2.423 0 40 DEAB c1ccc(-c2noc(CCN3CCC[C@H](n4cncn4)C3)n2)cc1 89851363 DFFPYAYNGRSWKR-HNNXBMFYSA-N 324.388 2.208 0 40 DEAB CN1N=C(C(=O)N2CCCSc3ccccc32)CCC1=O 21758783 BEDPOEAYUXYYBU-UHFFFAOYSA-N 303.387 2.124 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1cn2ccccc2n1 37132498 KWHUFFOKVFBMJL-SJCJKPOMSA-N 323.352 2.179 0 40 DEAB CCCn1nnc(NC(=O)c2cccc(Br)c2)n1 562825 QPTQHUSFMHVZOC-UHFFFAOYSA-N 310.155 2.098 0 40 DEAB COc1cccc(CCC(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OC)c1 105695775 YQMUBVYKISJHQW-BQFCYCMXSA-N 319.401 2.033 0 40 DEAB Cc1ccc(OC(F)F)c(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c1 102444897 OCXKRFIXCDPEGI-CYDGBPFRSA-N 323.295 2.263 0 40 DEAB CCC(=O)c1ccc(OCC(=O)NCC[C@@H]2CCCO2)cc1 23876175 BWQOZXZLTYCPDW-AWEZNQCLSA-N 305.374 2.343 0 40 DEAB O=C(Cc1ccccc1F)N[C@H]1CCCc2[nH]c(=O)ccc21 43055374 NHGYEMFIGJETJG-HNNXBMFYSA-N 300.333 2.250 0 40 DEAB COc1ccc(C)c2c1N(C[C@H](O)Cn1cccn1)CCC2 70021433 ULEBMFHXLYDXBU-AWEZNQCLSA-N 301.390 2.014 0 40 DEAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1C[C@@H]2CC=CC[C@H]2C1 107357019 BGBIOQLHVUXSCR-DZKIICNBSA-N 316.405 2.492 0 40 DEAB Cn1c(Cl)cnc1COC(=O)c1ccc(-n2cnnc2)cc1 58178993 SIYZPHATUQIHQT-UHFFFAOYSA-N 317.736 2.011 0 40 DEAB COc1ccc(COC[C@@H](O)CNC(=O)C[C@H]2C=CCC2)cc1 58401890 DQSZPDBYOXAZPS-HOCLYGCPSA-N 319.401 2.045 0 40 DEAB Cc1nnc(CN2CCN(Cc3cccc(Cl)c3)CC2)n1C 36397787 NZEGNPQLCJTHRD-UHFFFAOYSA-N 319.840 2.095 0 40 DEAB O=C(/C=C/c1ccco1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12737580 ISMGTEOTZUIVDU-NPQIQWPPSA-N 323.414 2.251 0 40 DEAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N1CCCC1 8388735 JNYSYCBZCNSWND-NSHDSACASA-N 305.378 2.076 0 40 DEAB C[C@H](NC(=O)N(Cc1ccc(F)cc1)C1CC1)c1nncn1C 48309932 HHXPHYUJCRZHOR-NSHDSACASA-N 317.368 2.389 0 40 DEAB CCOC(=O)c1cccnc1Oc1ccc(S(C)(=O)=O)cc1 48353495 ATVQBRGIBDZAON-UHFFFAOYSA-N 321.354 2.454 0 40 DEAB CNC(=O)c1ccc(Cl)c(NC(=O)N2CCSCC2)c1 48488533 BUCDOOQWJHWJIP-UHFFFAOYSA-N 313.810 2.280 0 40 DEAB CC(=O)NCCNC(=O)Nc1cccc(OCCC(C)C)c1 64547629 PXLGQVLTBRJKTN-UHFFFAOYSA-N 307.394 2.369 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COc2ccc(Cl)cc2C(N)=O)C1 8403357 RALGILVOQDHDKN-GHMZBOCLSA-N 324.808 2.322 0 40 DEAB Cc1ccccc1[C@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 69737777 YCIOSKUEJVZUQD-GJZGRUSLSA-N 321.442 2.136 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)Cn2ccnc2)on1 65409017 IPAMBIFIANFCDM-CHWSQXEVSA-N 303.366 2.115 0 40 DEAB COc1ccccc1C(C)(C)CNC(=O)c1cc(C)nn1C 65543113 BSLMTRGHSIUVLU-UHFFFAOYSA-N 301.390 2.445 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1n[nH]c(=O)c2ccccc12 6650171 UBQUZXBXNVYJMX-UHFFFAOYSA-N 301.252 2.454 0 40 DEAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(O)cc1)C2=O 19323083 PNRYUVPQBMSBNM-UHFFFAOYSA-N 300.402 2.398 0 40 DEAB biogenic COc1nc(NS(=O)(=O)c2ccccc2)nc(C)c1Cl 5681226 GBPORFDMUUFPGB-UHFFFAOYSA-N 313.766 2.248 0 40 DEAB COc1ccc(CCNC(=O)[C@H](C)Sc2nncs2)cc1 7816225 ZCZNRSSVFSYHJU-JTQLQIEISA-N 323.443 2.386 0 40 DEAB O=S(=O)(NCc1ccccn1)C1=Cc2ccccc2CC1 8026688 AXYHTXSSTSLVLV-UHFFFAOYSA-N 300.383 2.488 0 40 DEAB CN(Cc1noc2c1CCCC2)S(=O)(=O)c1cccs1 71914527 FWIALZBJOUYPFP-UHFFFAOYSA-N 312.416 2.436 0 40 DEAB c1ccc(CCc2nnc3sc(-c4cnccn4)nn23)cc1 9421039 XOMMULYLTRCDJA-UHFFFAOYSA-N 308.370 2.428 0 40 DEAB NC(=O)[C@H]1CCCN(c2nc(C(F)(F)F)nc3ccccc23)C1 9604811 SUTLCEJRSQGMEI-VIFPVBQESA-N 324.306 2.350 0 40 DEAB CS(=O)(=O)NCc1ccc(NC(=O)c2ccccc2F)cc1 72287513 OEUINGWTOLCDHS-UHFFFAOYSA-N 322.361 2.127 0 40 DEAB CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC)CN2CCCC2)C1 72288380 QRIZQCGLZCFIMY-CVEARBPZSA-N 323.481 2.016 0 40 DEAB Cc1cc(C(=O)N2CCC(CN)CC2)c2ccc(F)cc2n1 97019485 AWBIKPNOAPILBM-UHFFFAOYSA-N 301.365 2.493 0 40 DEAB CSCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)nc1 97082813 MJADZYJJKJWQFK-UHFFFAOYSA-N 314.354 2.084 0 40 DEAB COc1cc(C(=O)OCc2nnc(C)n2C2CC2)ccc1F 97033084 XMMYQYUXUGRKJO-UHFFFAOYSA-N 305.309 2.426 0 40 DEAB CC(C)(C)C[C@H](NC(=O)N[C@H]1CCCCNC1=O)C(F)(F)F 97046713 MQYJUSGZYXBFHY-UWVGGRQHSA-N 323.359 2.321 0 40 DEAB Cn1cc(NC(=O)C[C@H]2C=CCC2)cc(Br)c1=O 88213946 VROIOYIVNRQCSI-VIFPVBQESA-N 311.179 2.443 0 40 DEAB CN1C(=O)CC[C@H](C(=O)NCc2ccc[nH]2)[C@@H]1c1ccccc1 74121707 QATNDCKCSRHNRO-RDJZCZTQSA-N 311.385 2.241 0 40 DEAB COc1ccc(CCC(=O)N[C@](C)(C(=O)O)C(C)C)cc1F 95989680 RTGOWBMHXFJACR-INIZCTEOSA-N 311.353 2.382 0 40 DEAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ncnn1C 95977089 BLJKPIOGYPHEFD-UHFFFAOYSA-N 314.393 2.079 0 40 DEAB CN(OCc1ccccc1)C(=O)CN1Cc2ccccc2C1=O 89310200 YJZLLADWJJNMAY-UHFFFAOYSA-N 310.353 2.233 0 40 DEAB CCOCC[C@@H]1CCOC2(C1)CN(C(=O)C1CC(F)(F)C1)C2 306127677 GEOIZOQRMKOEPW-GFCCVEGCSA-N 317.376 2.466 0 40 DEAB COc1ccc(COC(=O)[C@@H](C(=O)O)c2ccc(O)cc2)cc1 38634506 JHALLYTYXLWETG-OAHLLOKOSA-N 316.309 2.312 0 40 DEAB CCn1c(C)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 558907729 YEPCCFBFXDWOLR-AWEZNQCLSA-N 308.332 2.463 0 40 DEAB Cc1cccc([C@@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)n1 72364552 WVAAIGOGOVSNKU-AWEZNQCLSA-N 320.418 2.256 0 40 DEAB Nc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1 81217817 LIUHSDMLXYTJTD-UHFFFAOYSA-N 311.432 2.490 0 40 DEAB COc1ccc(-c2cc(C(=O)NCc3csnn3)no2)cc1 80344539 TVJCOILJFGOFQH-UHFFFAOYSA-N 316.342 2.132 0 40 DEAB COC[C@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225809826 ZWIKOAXCPYVNAX-JTQLQIEISA-N 323.780 2.474 0 40 DEAB C[C@@H](Nc1ccnc2c(F)cccc12)C(=O)N1CCOCC1 195578548 SPWNESUCRFBRKO-LLVKDONJSA-N 303.337 2.033 0 40 DEAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 223038921 OTVDAUBBFBTJDC-CABCVRRESA-N 316.430 2.419 0 40 DEAB CCCn1nnnc1CN1CCC[C@H]1C[C@@H](O)c1ccccc1 195531552 AUQRPOFEBALSKN-JKSUJKDBSA-N 315.421 2.171 0 40 DEAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCOCC2)n1 225918215 QHURTYNOHDCGBV-UHFFFAOYSA-N 312.373 2.309 0 40 DEAB COc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)ccc1Cl 195546373 UBHGCVQZFGIGMQ-AUKWLOTRSA-N 315.822 2.330 0 40 DEAB CCOC(=O)[C@]1(NC(=O)c2ccccc2)C[C@H]1C(F)(F)F 82046880 IRDSAYYXYXAXDG-MFKMUULPSA-N 301.264 2.301 0 40 DEAB CC(C)(C)n1[nH]cnc1=NC(=O)c1ccnn1C1CCCC1 328717205 FFBRGERWXDZSAL-UHFFFAOYSA-N 302.382 2.019 0 40 DEAB Cc1nn(Cc2cccc(C(=O)N3CCCCC3)c2)c(=O)s1 192468477 COHKGYUGDJXNFC-UHFFFAOYSA-N 317.414 2.288 0 40 DEAB CC[C@H](C(=O)O)n1nnc(-c2cccc(C(F)(F)F)c2)n1 573710330 LGHSBPAEAZSXCF-SECBINFHSA-N 300.240 2.395 0 40 DEAB FC(F)(F)c1cccc(N2CCN(C[C@H]3CCCO3)CC2)n1 96453183 WMDNWQXSXOGSFE-GFCCVEGCSA-N 315.339 2.401 0 40 DEAB CC(=O)c1ccc(CNC(=O)[C@@H]2COc3ccccc32)nc1C 96486127 UGMBYBQLFIPKAY-MRXNPFEDSA-N 310.353 2.385 0 40 DEAB O=C(CCC(F)(F)F)N1CCN(c2ncccc2F)CC1 90457777 JCXRQAIOHNUJTH-UHFFFAOYSA-N 305.275 2.212 0 40 DEAB CCc1nnc([C@H](C)n2c(=O)ncn2-c2cc(C)ccc2C)o1 97105141 VTWURNFXHNFMAM-LBPRGKRZSA-N 313.361 2.206 0 40 DEAB CC(C)CN1CCC[C@]2(CCN(C(=O)c3cnccn3)C2)C1 96215276 ACQGVSWHJDFGLM-KRWDZBQOSA-N 302.422 2.061 0 40 DEAB COc1ccc(CC(=O)N[C@H](C)c2onc(C)c2C(=O)O)cc1 96297014 XQZBDZZFLVGVMX-SNVBAGLBSA-N 318.329 2.110 0 40 DEAB biogenic,in-vitro CSC[C@H](CCO)NC(=O)Nc1cc(F)c(F)cc1F 96420198 JMTMEJQZAKJSMK-ZETCQYMHSA-N 308.325 2.339 0 40 DEAB O=C1NC2(CCN(Cc3ccoc3)CC2)C[C@H]1c1cccnc1 96199455 ICNYHQXFPKEOSX-INIZCTEOSA-N 311.385 2.313 0 40 DEAB COCCNC(=O)N(Cc1ccccc1F)C1CCOCC1 95408122 NDPOYUCDIBBAIL-UHFFFAOYSA-N 310.369 2.163 0 40 DEAB O=C(CCNC(=O)N1C[C@H]2CC=CC[C@@H]2C1)NC1CCCC1 96439387 FSVRKSUNLXSZBP-ZIAGYGMSSA-N 305.422 2.043 0 40 DEAB Cc1nc(C(=O)N2CC3(C[C@@H](OCC4CC4)CCO3)C2)cs1 247998937 BIWDABHXFJBNLR-ZDUSSCGKSA-N 322.430 2.252 0 40 DEAB CNc1cnc(C[C@@H]2CCCN(Cc3c[nH]cn3)CC2)cn1 257294098 QSKLTJBOMNZQGB-CYBMUJFWSA-N 300.410 2.086 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)N1CCC(C)(c2nccs2)CC1 257283742 OZRXRDZHTVQJJX-CYBMUJFWSA-N 321.446 2.034 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCO[C@H](c3ccncc3)C2)[nH]n1 257241952 IAJPVQMJLKPRLN-AWEZNQCLSA-N 314.389 2.316 0 40 DEAB O=C(O)[C@@H]1C[C@H](O)[C@H](Nc2ncnc3c2oc2ccccc23)C1 662895904 JGFBVYHVYXXUJY-GDPRMGEGSA-N 313.313 2.012 0 40 DEAB Cc1cccc(O[C@@H]2CCC[C@H](CNCc3cnc[nH]3)[C@H]2O)c1 585285211 AKYXGVRJKNWNBT-ZTFGCOKTSA-N 315.417 2.416 0 40 DEAB O=C(CCF)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585113100 ZTGHHEJOIKAIQX-OAHLLOKOSA-N 317.364 2.021 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3c(C)noc3C)CC2)cs1 42359729 HMTXUCRYXVIHLX-UHFFFAOYSA-N 320.418 2.014 0 40 DEAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]2CCCC[C@H]21 55416493 HQLLILPVBFLNFH-DZGCQCFKSA-N 311.385 2.489 0 40 DEAB C[C@@H]1Nc2ccnn2[C@H](C)[C@@H]1CCC(=O)N[C@H]1CCCOCC1 1548680880 BTNWSNAXUUHFJT-LJISPDSOSA-N 320.437 2.340 0 40 DEAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CC(O)C1 89851327 MRIFULATTDPYOA-UHFFFAOYSA-N 311.385 2.093 0 40 DEAB CCS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(O)c1 137241 JMQMBTOFFLLXHD-UHFFFAOYSA-N 305.355 2.438 0 40 DEAB CC[C@H](C)OCC(=O)N1CCC(CN)(c2ccccc2)CC1 1577004376 SZGYVNNJKYVRMH-HNNXBMFYSA-N 304.434 2.321 0 40 DEAB CCSc1nnc(SCC(=O)NC[C@H]2CCCO2)s1 5567320 BWPSQXMAYWAYRA-MRVPVSSYSA-N 319.477 2.037 0 40 DEAB CCCCNC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13711483 BXZCADIFQOLKPP-AWEZNQCLSA-N 312.435 2.148 0 40 DEAB Cn1nc(C2CCN(Cc3cccnc3)CC2)c2nccnc21 19289454 MUNPCGWWTREQDH-UHFFFAOYSA-N 308.389 2.138 0 40 DEAB COc1cc(OC)c(OC)cc1CN1C[C@@H]2CCCN2C[C@@H]1C 19575712 VCQHZJOZCOBRGY-ZFWWWQNUSA-N 320.433 2.381 0 40 DEAB CCOC(=O)CCC(=O)N1CC[C@H](n2cnc3ccccc32)C1 575617248 MZQCEKJIQMYNOH-ZDUSSCGKSA-N 315.373 2.153 0 40 DEAB CSc1nccc(N2CCC[C@@H](COc3ncccn3)C2)n1 1889101247 ZPYHTIITBRRIOV-GFCCVEGCSA-N 317.418 2.284 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)cn1 31235237 OHFJNKGIOWOXQP-HNNXBMFYSA-N 324.428 2.404 0 40 DEAB c1nsnc1N1CCC(COc2cc3c(nn2)CCC3)CC1 1775985963 LFDUMJDSQLRYDJ-UHFFFAOYSA-N 317.418 2.112 0 40 DEAB Cc1ncsc1CN1CCO[C@H](c2[nH]nc3ncccc23)C1 2037976967 VNBZBTMOZKAYRP-LBPRGKRZSA-N 315.402 2.296 0 40 DEAB COc1ccccc1C(=O)N1CCCN([C@H]2CCSC2)CC1 1565522740 YYBPKZGSTZKGSJ-AWEZNQCLSA-N 320.458 2.349 0 40 DEAB O=C(CN1CCC(Oc2nccs2)CC1)NC1CCCCC1 2086867545 ZGEIRYWJOMDRME-UHFFFAOYSA-N 323.462 2.435 0 40 DEAB O=S(=O)(c1ccc2c(c1)CCCC2)N1C[C@H]2C[C@H]1CS2 575615684 GZNOLAVQROHQAY-UONOGXRCSA-N 309.456 2.444 0 40 DEAB O=C(NCC1(c2ccccc2)CC1)c1ccccc1-n1cnnn1 40047004 AVWYMUPOWNIKAU-UHFFFAOYSA-N 319.368 2.124 0 40 DEAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(=O)n(C)n1 30135084 HGEIMUHPPREZHI-UHFFFAOYSA-N 315.417 2.069 0 40 DEAB CCOC(=O)c1c(O)c2cccnc2n(CCC(C)C)c1=O 100227088 FQBGHCGZOAYBTH-UHFFFAOYSA-N 304.346 2.325 0 40 DEAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CCO1 11499552 SFAGDDIPZKEZPE-LLVKDONJSA-N 319.336 2.056 0 40 DEAB NC(=O)CC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 40542640 LUUSQAFUYFANSW-UHFFFAOYSA-N 313.401 2.215 0 40 DEAB C[C@H](N[C@@H](C)[C@H](C)n1cccn1)C(=O)NCCc1cccs1 69582887 NWNYMNPDCYEOPJ-IHRRRGAJSA-N 320.462 2.231 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCCOC(C)C)cc1 6963588 TYQGRHSNHAUFRP-UHFFFAOYSA-N 301.408 2.179 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 7658734 LPHQBDODPAPIJJ-UHFFFAOYSA-N 320.322 2.038 0 40 DEAB CC1=CC[C@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@H]2C1 7881734 FPZBNFZQVVSNKM-PWSUYJOCSA-N 318.760 2.326 0 40 DEAB C[C@H]1CN(C(=O)CN2C(=O)c3cccc4cccc2c34)C[C@@H](C)O1 20917282 BFOAGKXWLAHWSL-BETUJISGSA-N 324.380 2.436 0 40 DEAB CC(=O)Nc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1 353911 OYFNAILWJMYPHG-UHFFFAOYSA-N 324.292 2.144 0 40 DEAB O=C(CNC(=O)Nc1cc(F)ccc1F)Nc1cccnc1 69538993 QBMKPXJPDLLPGM-UHFFFAOYSA-N 306.272 2.120 0 40 DEAB Cc1cc(C)c(CNC(=O)c2ccn(-c3ccccc3)n2)c(=O)[nH]1 32766777 RRTFZLVWNXTNQT-UHFFFAOYSA-N 322.368 2.107 0 40 DEAB Cc1nnc(O)c2c1[C@@H](c1ccc(C(C)C)cc1)n1nnnc1N2 10298499 HKHROGNPJSOMFR-CQSZACIVSA-N 323.360 2.295 0 40 DEAB CC[C@@H](CO)Nc1ncnc2c1cnn2-c1ccc(OC)cc1 426497 MAOUXSDZINWWAN-NSHDSACASA-N 313.361 2.007 0 40 DEAB O=C(c1ccco1)N1[C@H]2CC[C@H]1CC(O)(c1cccnc1F)C2 100142531 BFOUXZPPWYHMMT-RYUDHWBXSA-N 316.332 2.469 0 40 DEAB COc1ccccc1-c1cc(C(=O)NC[C@H]2CCOC2)no1 41366073 GWNZFRGCCLHWCL-LLVKDONJSA-N 302.330 2.117 0 40 DEAB Cc1ccc2c(c1)[nH]c1c(N3CCC(C(N)=O)CC3)ncnc12 540074 HZWCACNUZWDIMY-UHFFFAOYSA-N 309.373 2.121 0 40 DEAB Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c2n1 2731226 FYMHBWNKWMMBPY-UHFFFAOYSA-N 324.340 2.370 0 40 DEAB CC(C)c1nc(CN2CCC(c3nnc4n3CCC4)CC2)no1 53610728 SXEXYHJXSTYRPE-UHFFFAOYSA-N 316.409 2.110 0 40 DEAB CC(C)S(=O)(=O)NCc1cccnc1OCc1ccccc1 53667411 NWANGDDEJYPDKT-UHFFFAOYSA-N 320.414 2.488 0 40 DEAB CC(C)[C@H](CNc1cnc2ccccc2n1)N1CCN(C)CC1 54056571 MTTHTVBSDWUDCD-KRWDZBQOSA-N 313.449 2.314 0 40 DEAB COc1cccc(Cn2c(=O)c3ccccc3n3nncc23)c1 2957583 PAIBNVOLAKUWAD-UHFFFAOYSA-N 306.325 2.101 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2ccccc2oc1=O 47490385 HIWAXUCIPYTCBC-AWEZNQCLSA-N 323.352 2.334 0 40 DEAB O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@@]2(CCOC2)C1 107363346 CTINUQDOEPQRCV-RDTXWAMCSA-N 316.401 2.020 0 40 DEAB C/C=C/C=C/C(=O)N1CCc2c(sc3ncnc(N)c23)C1 12549581 WOONVFYZUWEMBI-MQQKCMAXSA-N 300.387 2.291 0 40 DEAB NC(=O)CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 57815790 XYPBBTBFQXQGCZ-OAHLLOKOSA-N 306.312 2.452 0 40 DEAB CCSc1nnc(N2CCOCC2)n1-c1cccc(F)c1 57865626 JPWLDFJUBXYGHN-UHFFFAOYSA-N 308.382 2.355 0 40 DEAB C[C@@H](C(=O)NC[C@H](c1ccco1)N1CCCCC1)n1cccn1 44669300 BEDXOYJNVGHOQJ-LSDHHAIUSA-N 316.405 2.381 0 40 DEAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)OCO2 58162014 AITBWWBSTXVPGT-OAHLLOKOSA-N 315.373 2.457 0 40 DEAB O=C(CN1CCSC1=O)Nc1ccc(N2CCCCC2)nc1 44894724 ADVPXKYYNJMLCU-UHFFFAOYSA-N 320.418 2.179 0 40 DEAB C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccncc1 44909927 GNBSFHGBNFKAJF-GXTWGEPZSA-N 313.357 2.282 0 40 DEAB C[C@H](NC(=O)c1cc2c(s1)CCC2)c1nnc2n1CCC2 58357252 SUKHUSACVFCGNX-VIFPVBQESA-N 302.403 2.266 0 40 DEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccccn1 8289987 KFAPARRSGOQFRZ-CQSZACIVSA-N 313.382 2.201 0 40 DEAB O=C(O)[C@@H]1CCN(Cc2cc(F)ccc2Br)C1 62134349 VJFXBVDQCYXQIC-MRVPVSSYSA-N 302.143 2.495 0 40 DEAB CC(C)c1ccc(CCC(=O)NC[C@@H]2CN(C)CCO2)cc1 58412188 VDXXRCCUDUPGNE-QGZVFWFLSA-N 304.434 2.189 0 40 DEAB CC[C@H](C)NC(=O)CSc1cc(C(N)=O)c2ccccc2n1 12746524 TUBYSUPDGHMHBV-JTQLQIEISA-N 317.414 2.341 0 40 DEAB CC(=O)NCCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 69349049 DVKRDXSKEFTYGP-AAEUAGOBSA-N 314.307 2.204 0 40 DEAB Cc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O 3448134 HBSVYAQHBPRWHF-UHFFFAOYSA-N 324.383 2.012 0 40 DEAB CCCCn1c(S[C@H](C)C(N)=O)nc2ccccc2c1=O 3492754 QUXMNNIJDBAFJJ-SNVBAGLBSA-N 305.403 2.163 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCCC2)c1C 3587376 DCMQZTXPHPBDCQ-UHFFFAOYSA-N 306.362 2.003 0 40 DEAB CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C1CC1 63728402 QNCMIKMLTWGECH-AWEZNQCLSA-N 318.392 2.228 0 40 DEAB COCc1cc(O)n2nc(SCc3ccccc3)nc2n1 8670509 NFLRRLUDQZJOAU-UHFFFAOYSA-N 302.359 2.269 0 40 DEAB Cc1ccc(O)c(C(=O)OCC(=O)NCc2ccc(F)cc2)c1 5678827 GETMAOKZIBDFEU-UHFFFAOYSA-N 317.316 2.313 0 40 DEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCO[C@@H](C)C3)c12 14900154 ZITXXFDDGLTETQ-JTQLQIEISA-N 314.389 2.015 0 40 DEAB CNC(=O)[C@H]1CN(Cc2nc3ccccc3o2)c2ccccc2O1 7254905 DMCBMZHESCRHMW-MRXNPFEDSA-N 323.352 2.341 0 40 DEAB CC(C)N(C(=O)[C@@H](C)Sc1n[nH]c(=O)n1C1CC1)C(C)C 7776293 QOYZEYMUPMVBES-SNVBAGLBSA-N 312.439 2.032 0 40 DEAB C[C@H]1CC(C)(C)C[C@](CO)(NCC(=O)NCc2ccco2)C1 80900688 BQQGJISXNFVIPM-SUMWQHHRSA-N 308.422 2.063 0 40 DEAB C/C=C/c1ccc(OCc2nc(N)nc(N(C)C)n2)c(OC)c1 16338388 DKADBPLKMSVCCF-AATRIKPKSA-N 315.377 2.141 0 40 DEAB O=C(CCC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1cccs1 71921210 NEABYPFJGCCWHB-GFCCVEGCSA-N 321.320 2.237 0 40 DEAB CC(C)c1ccc(CCC(=O)N(C)[C@@H]2CCN(C)C2=O)cc1 71915312 DZIDLGKLTHCHAK-MRXNPFEDSA-N 302.418 2.432 0 40 DEAB CC(C)[C@H](C(=O)NCc1cccc(CO)c1)N1CCCCC1 89791097 RFWOYHTZCIXCPI-QGZVFWFLSA-N 304.434 2.306 0 40 DEAB COc1ccc(C(=O)N(CCc2ccccc2)CC(=O)O)cc1 178135795 SLDFLQIHDOICKT-UHFFFAOYSA-N 313.353 2.465 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)o1 96426952 OVDYKXBAEZNRSG-GFUIURDCSA-N 319.430 2.237 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)COCc3ccccc3)c12 96406471 TWCWUFXALBZKSY-UHFFFAOYSA-N 313.361 2.014 0 40 DEAB CCC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 72272626 NMFFRTHRIPWJAX-UHFFFAOYSA-N 320.824 2.432 0 40 DEAB CC(C)(CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)C(N)=O 72274231 ATGWXBNUTTYDDI-CQSZACIVSA-N 321.396 2.478 0 40 DEAB C[C@@H](C1CC1)N(C(=O)CSc1ncnc2nc[nH]c12)C1CC1 72287754 VDTWVOHQHDJRSU-VIFPVBQESA-N 317.418 2.235 0 40 DEAB CC(C)c1nn(C)c2sc(C(=O)NC[C@H](C)C(=O)O)cc12 97018681 WGGXFBCNSCQGCH-QMMMGPOBSA-N 309.391 2.209 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H]2CCN(C)C2=O)CC1 75863188 GOZXOHDACFDNIS-XJKSGUPXSA-N 321.852 2.249 0 40 DEAB CC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)[C@H](O)c1ccccc1F 97228200 RZABUKGWHOLCNF-GDBMZVCRSA-N 318.348 2.064 0 40 DEAB Cn1cnc(-c2cccc(NC(=O)NCCc3ccccn3)c2)n1 97373474 CZKNABMXNIWELC-UHFFFAOYSA-N 322.372 2.241 0 40 DEAB C[C@@H](Cc1ccsc1)NCCc1ccc(S(N)(=O)=O)cc1 95419855 KOHNFLQMZLBJKJ-LBPRGKRZSA-N 324.471 2.159 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)o1 73688707 YKZMJZSZNSGQEM-VHSXEESVSA-N 318.295 2.176 0 40 DEAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)NC2CC2)cc1 78663313 QPRVJBAURMPTOL-UHFFFAOYSA-N 324.446 2.219 0 40 DEAB O=C(OC[C@H]1CCCCO1)c1ccccc1Cn1cncn1 78948158 OPUPIWNOHFUDLY-CQSZACIVSA-N 301.346 2.052 0 40 DEAB O=C(c1cnc[nH]1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901788 PUCXRYYFZXBXJX-QMMMGPOBSA-N 313.283 2.171 0 40 DEAB COCCCOC1CN(C(=O)c2nccc3ccccc23)C1 89410327 JBOYVLBAMLBLOD-UHFFFAOYSA-N 300.358 2.112 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(C(=O)N2CCc3ccccc32)C1 176661239 MCUJLKMRXJBCFX-CQSZACIVSA-N 311.389 2.177 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc2cc[nH]c2c1 71279135 OQYVRWBYKVAUTJ-UHFFFAOYSA-N 322.368 2.242 0 40 DEAB C[C@H](c1ccccc1)[C@H](NCc1ncccc1Cl)C(N)=O 528510318 WZECQBDXGNEPIX-ABAIWWIYSA-N 303.793 2.482 0 40 DEAB Cc1nc(COc2ccc(C(C)C)cc2)[nH]c(=O)c1CC(=O)O 217393256 WJHQAEOQFGAFNP-UHFFFAOYSA-N 316.357 2.408 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCOc1ccccc1F)C2 72279150 XRVDXFFURDCZFF-CYBMUJFWSA-N 317.364 2.231 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC(c3cnccn3)CC2)s1 72386134 NRCFWZJTAQELMJ-UHFFFAOYSA-N 316.430 2.499 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N1CC(=O)Nc2ccccc21 74584727 ONKQWBSORZFCSU-UHFFFAOYSA-N 320.345 2.282 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2N[C@@H](C)CO)cc1 185579156 WUQYTLBGOOQQMI-BPUTZDHNSA-N 311.447 2.050 0 40 DEAB CCCS(=O)(=O)CC(=O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 76390444 ORNXPXVTTQMKLH-OLZOCXBDSA-N 315.822 2.137 0 40 DEAB CC(C)c1nc(CN2CCn3c(nnc3-c3ccccc3)C2)no1 76183562 VTYNUPFTFOLDCV-UHFFFAOYSA-N 324.388 2.467 0 40 DEAB NC(=O)c1cn[nH]c1[C@H]1CCCN1Cc1ccc(Cl)cc1 72366180 GICAGSDHHINSKE-CYBMUJFWSA-N 304.781 2.499 0 40 DEAB CCc1ccc(NS(=O)(=O)c2ccc3nnc(C)n3c2)cc1 49408268 ZQGYVNZQZSFDLL-UHFFFAOYSA-N 316.386 2.401 0 40 DEAB CCc1nc(NCc2cc(C)nn2C)c2c(n1)c(C)nn2CC 226688119 KPKJSSWNUKJACX-UHFFFAOYSA-N 313.409 2.371 0 40 DEAB Cc1cc(CNC(=O)C[C@@H](CC(=O)O)c2cccs2)n(C)n1 226750946 HRZBIYVNMQXVDB-NSHDSACASA-N 321.402 2.055 0 40 DEAB c1cncc(CO[C@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)c1 96055028 NJHFQNBCGMPLHH-MSOLQXFVSA-N 313.401 2.150 0 40 DEAB COc1ccc([C@H](NC(=O)c2cnn3cccnc23)C2CC2)cn1 530257701 CHIUNCWZOKGPLU-OAHLLOKOSA-N 323.356 2.014 0 40 DEAB O=C(Cc1ccco1)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96207311 VWEZHJVXSGABTN-MRXNPFEDSA-N 319.401 2.399 0 40 DEAB CC(C)Nc1ccnc([C@H]2COCCN2Cc2ccncc2)n1 96219708 WQVSRQJGAZCPNX-OAHLLOKOSA-N 313.405 2.265 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](OCC3CC3)[C@H]3OCCC[C@H]32)c(C)[nH]1 96042397 FSEIKJKIPHESLX-ZACQAIPSSA-N 318.417 2.430 0 40 DEAB Cc1cc(C)cc(CN2CC[C@H]3[C@@H]2CCN3CC(=O)N(C)C)c1 96184385 QJHNUBDWESFBLO-ROUUACIJSA-N 315.461 2.040 0 40 DEAB C[C@H](NC(=O)N1CCCN(CC(F)F)CC1)c1ccco1 96487624 LBIOLAOVRGIANO-NSHDSACASA-N 301.337 2.323 0 40 DEAB COc1ccc2cccc(NC(=O)N3CCCN(C)CC3)c2n1 96499977 VXKHVKCKKDJLSP-UHFFFAOYSA-N 314.389 2.413 0 40 DEAB c1c2c(nn1CC1CCOCC1)[C@H](CNC1CCCC1)OCC2 96044450 STDKNGMZJRYNQY-KRWDZBQOSA-N 319.449 2.456 0 40 DEAB CCOC(=O)C1(C(=O)N[C@H]2CCCN(C3CCCCC3)C2)CC1 96444701 KCZKTJLQQFGCAK-AWEZNQCLSA-N 322.449 2.243 0 40 DEAB O=C(N1CCCC1)N1CCN(CC2CC2)c2ncccc2C1 96060988 RLEPIMOVYPFPTJ-UHFFFAOYSA-N 300.406 2.329 0 40 DEAB Cc1ccsc1C(=O)N1Cc2ccnn2[C@H](CCN(C)C)C1 248152512 YALAYJHLBQXJPM-CQSZACIVSA-N 318.446 2.402 0 40 DEAB CCN(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 242548854 LWWLRYYGOOHGPF-XIRDDKMYSA-N 303.450 2.283 0 40 DEAB Cc1ncccc1O[C@H]1CCN(Cc2cscn2)CC[C@@H]1O 257315524 VBUXXPMYTYTBQQ-HOCLYGCPSA-N 319.430 2.251 0 40 DEAB Cc1nc[nH]c1CN1CCC[C@H](c2ccc3cnn(C)c3n2)C1 257208258 BLJFNYKLKUHVLD-AWEZNQCLSA-N 310.405 2.379 0 40 DEAB CO[C@H]1CN(C(=O)c2cc(F)ccc2F)CC[C@@]12CCCO2 257256673 KMLBYSUPDPFHSN-HOCLYGCPSA-N 311.328 2.375 0 40 DEAB Cc1cc(OCC(=O)O)ccc1NC(=O)[C@@H](C)C1CCOCC1 263314539 YNEGNHOYJNVWKS-LBPRGKRZSA-N 321.373 2.460 0 40 DEAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc2cc[nH]c2c1 585291650 RBOKXSSALOWQGR-ZACQAIPSSA-N 304.390 2.029 0 40 DEAB CC[C@H](C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)COC)[C@H]2C1 585109689 IQHYNNAEGFBQGR-VYSRMENRSA-N 302.418 2.318 0 40 DEAB Cc1cc(CNC(=O)[C@H]2COCCO2)c2[nH]c(C)c(C)c2c1 65726118 NMBUHPBATRPNHE-OAHLLOKOSA-N 302.374 2.125 0 40 DEAB CC1CCN(C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 69897616 JCVXVZZYGZPFHI-UHFFFAOYSA-N 315.417 2.013 0 40 DEAB CCO[C@H]1C[C@@H](N(C)Cc2nnnn2C2CC2)C12CCCC2 71920965 FGNMOJOMRMPEFW-KGLIPLIRSA-N 305.426 2.178 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)[C@H]1CC=CCC1 75166791 CKQIKQFPEBLDBW-LSDHHAIUSA-N 304.390 2.125 0 40 DEAB C[C@@H](CS(C)(=O)=O)NC(=O)CCCc1c[nH]c2ccccc12 78681949 DROMEISKCHRLAV-LBPRGKRZSA-N 322.430 2.040 0 40 DEAB O=C(NCc1cn2ccsc2n1)Nc1cnc(C2CC2)nc1 89885416 BWYHLCUBWFTBCS-UHFFFAOYSA-N 314.374 2.385 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)CSc1ccccc1O 5633020 CKAKJWGYNYWYSV-NSHDSACASA-N 311.403 2.188 0 40 DEAB Cc1nc2ccc(C(=O)NC[C@@H](C)n3cncn3)cc2s1 12201561 XYCULACDQNWVIV-SECBINFHSA-N 301.375 2.187 0 40 DEAB O=C(NC1CCCCCC1)c1cc(F)ccc1-n1cnnn1 12409505 XNQLZMUVGAAIEI-UHFFFAOYSA-N 303.341 2.254 0 40 DEAB CCc1cc(N2CC(Cn3cc(Br)cn3)C2)ncn1 1889090957 AKQKBZBRXUKFTN-UHFFFAOYSA-N 322.210 2.134 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@H]4NCCC[C@@]43C)cn12 2037774055 FRRJQIAUSGLEJW-QAPCUYQASA-N 312.417 2.389 0 40 DEAB COC[C@@H]1CN(C(=O)[C@]2(C)CC=CCC2)Cc2cn(C)nc21 1142541326 CHBNOIGMGJVJDY-WMLDXEAASA-N 303.406 2.239 0 40 DEAB Cc1ccc(C(=O)N2CCc3ncnc(-c4cncnc4)c3C2)o1 1565555868 IAZPRUQHCRJTDS-UHFFFAOYSA-N 321.340 2.034 0 40 DEAB C[C@@H]1CC[C@@H]2C(=O)N([C@@H](CC(=O)O)c3ccco3)C(=O)[C@@H]2C1 4126832 WWVINSFHAZLOQY-KXNHARMFSA-N 305.330 2.217 0 40 DEAB COc1ccccc1C(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193125 VYWDNRYKONHYNO-CYBMUJFWSA-N 310.353 2.231 0 40 DEAB CCO[C@@H]1CO[C@]2(CCCN(C(=O)c3csc(C)n3)C2)C1 2055837468 GOILXAQSYNMEBU-SWLSCSKDSA-N 310.419 2.252 0 40 DEAB O=C(NCCc1ccccc1)c1cc2ccccc2n2nnnc12 27562570 GICWKXGYAPQPOI-UHFFFAOYSA-N 317.352 2.250 0 40 DEAB Cn1nccc1-c1cncc(CNC(=O)OCc2ccccn2)c1 575615064 BPHMDSFRBDWVSX-UHFFFAOYSA-N 323.356 2.304 0 40 DEAB Cn1ncc2c(Nc3ccc(N4CCCCC4)nc3)ncnc21 12766884 VHKFOUKFHZTCLT-UHFFFAOYSA-N 309.377 2.492 0 40 DEAB COc1cc(C(=O)N2CCSC2=S)cc(OC)c1OC 30819568 WBGZGPFRJSWWNV-UHFFFAOYSA-N 313.400 2.186 0 40 DEAB Cc1nc(NC(=O)CN2C(=O)COc3ccccc32)sc1C 40457577 OIKBLVPGLBVZEG-UHFFFAOYSA-N 317.370 2.124 0 40 DEAB CCC1(CC)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 40490187 UMKHOCDTQWTAPT-GFCCVEGCSA-N 310.781 2.484 0 40 DEAB Cc1ccc(F)cc1NC(=O)c1cnc2n(c1=O)CCS2 211350 FJNGKQJWTVKUIV-UHFFFAOYSA-N 305.334 2.049 0 40 DEAB COc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1OC 328764 YEWGCOACDFZPBT-UHFFFAOYSA-N 317.370 2.226 0 40 DEAB Cc1ccc(-c2nnc(SCCN3CCOCC3)o2)cc1 36646034 CYJJYZZQFPUOLZ-UHFFFAOYSA-N 305.403 2.469 0 40 DEAB NC(=O)c1cccc2c1CCCN2C(=O)c1ccnc(Cl)c1 40548664 LAPDEIPHRRJVDS-UHFFFAOYSA-N 315.760 2.427 0 40 DEAB Cc1n[nH]c([C@H]2CN(Cc3csc(C4CC4)n3)CCO2)n1 89708941 PZMJACQBILEOCJ-GFCCVEGCSA-N 305.407 2.021 0 40 DEAB O=C1[C@@H]2[C@@H](N=NN2c2ccccc2)C(=O)N1Cc1ccccc1 101128062 OAPZCYQUFWDMGZ-CABCVRRESA-N 306.325 2.180 0 40 DEAB Cc1ccc([C@H](C(=O)O)N2CC(NC(=O)OC(C)(C)C)C2)cc1 2527350 VBSWKGFKTYURDL-CQSZACIVSA-N 320.389 2.330 0 40 DEAB CN(CCn1c(=O)oc2ccccc21)C(=O)C1[C@H]2CCC[C@H]12 101465945 MOSFHTMZIWMTOA-RYUDHWBXSA-N 300.358 2.099 0 40 DEAB O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1cnccn1 29258042 CVUKQKFKDRRPAE-UHFFFAOYSA-N 310.357 2.145 0 40 DEAB CN(Cc1ccccc1F)C(=O)CN1CCC[C@@H]1C(C)(C)O 89761622 ZFHPOVVAPXZFFX-OAHLLOKOSA-N 308.397 2.019 0 40 DEAB CCN1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CCCC3)C1 58382373 RBGWNKUPXQFMAR-MRXNPFEDSA-N 322.474 2.328 0 40 DEAB CC(C)N(C)C(=O)NC[C@H]1CC(=O)N(C)[C@@H]1c1ccccc1 96500370 RAQDJAOAZNRKQZ-GDBMZVCRSA-N 303.406 2.256 0 40 DEAB COc1ccc(OCCC(=O)NCc2ccc(OC)nc2)cc1 10990668 RXQFREGBUSRTBI-UHFFFAOYSA-N 316.357 2.184 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)CCCNC(=O)c2ccco2)C1(C)C 71915412 CZLOVQQGXBQOJE-ZIAGYGMSSA-N 322.405 2.109 0 40 DEAB COc1cccc(COC(=O)c2n[nH]c(=O)c3ccccc23)c1 37123836 PWLGPYSLWUAQLQ-UHFFFAOYSA-N 310.309 2.289 0 40 DEAB CCOc1nn(CC)cc1C(=O)NCc1cccc(OC)c1 9070555 LCZXITMWMDETRY-UHFFFAOYSA-N 303.362 2.240 0 40 DEAB COCCCNC(=S)NCCCn1nc(C)c(Cl)c1C 2775058 PYINWWLVQNTRSC-UHFFFAOYSA-N 318.874 2.044 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O 53431034 SBXBWIBAZOWWIA-ZDUSSCGKSA-N 301.342 2.434 0 40 DEAB C[C@H](CCOc1ccccc1)C(=O)NC1(C(N)=O)CCCC1 89895614 CYARQBXMNXUPDO-CYBMUJFWSA-N 304.390 2.006 0 40 DEAB Cc1ccc2oc(=O)cc(CN3CCC4(CC3)OCCO4)c2c1 54219987 QQMKOZGFNFSPHH-UHFFFAOYSA-N 315.369 2.440 0 40 DEAB biogenic CCCn1nccc1C(=O)N1CCN(c2ccccc2F)CC1 28222463 NPRVTTSARNSGOU-UHFFFAOYSA-N 316.380 2.395 0 40 DEAB Cc1cccc(CSCC(=O)NCc2nnc3n2CCC3)c1 54888610 VDKFVHCYCSYMEV-UHFFFAOYSA-N 316.430 2.082 0 40 DEAB Cn1ccs/c1=N\C(=O)C1CCN(Cc2ccccc2)CC1 47304925 ONENJBBIQLLJHR-ZCXUNETKSA-N 315.442 2.426 0 40 DEAB Cc1ccc(CN[C@H]2CCN(S(=O)(=O)C(C)C)C[C@H]2C)o1 106918573 IGDYIUBEGYDQHR-DOMZBBRYSA-N 314.451 2.126 0 40 DEAB CCC(=O)OCC(=O)/N=c1/sccn1Cc1ccc(C)cc1 102675804 FIOOPFPBMSYJPF-WUKNDPDISA-N 318.398 2.287 0 40 DEAB C[C@H]1CN(C(=O)C2(c3cccc(F)c3)CCOCC2)CCO1 57194953 YOUJRIJMLLOXLW-ZDUSSCGKSA-N 307.365 2.121 0 40 DEAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1cccs1 35306773 WOLZUDYXGFKTHN-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB O=C(NCCn1ccnc1)c1cc(C2CC2)nn1-c1ccccc1 44722494 CIWUHOFIZCCTGE-UHFFFAOYSA-N 321.384 2.376 0 40 DEAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1 58173874 ZAIWSMAXXPPCDX-NWDGAFQWSA-N 308.809 2.460 0 40 DEAB CCN(CC)C(=O)CNC(=O)c1[nH]c2ccccc2c1Cl 58277380 PEJJPAOCBUGPKA-UHFFFAOYSA-N 307.781 2.420 0 40 DEAB CCCN(C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 58419774 ASPXQDFUXVXCTQ-UHFFFAOYSA-N 305.378 2.033 0 40 DEAB CN(CC(=O)N1CCC[C@H]1Cn1cccn1)Cc1ccccc1 70039882 DITCRWFHPUGEKW-KRWDZBQOSA-N 312.417 2.006 0 40 DEAB O=c1c2cccnc2ncn1C[C@H](O)c1ccc(Cl)cc1 12787588 RSVMKXQFZYUNST-ZDUSSCGKSA-N 301.733 2.179 0 40 DEAB CCCCS(=O)(=O)c1nnc(NC(=O)CC(C)C)s1 17058799 PIQZNICMBDFBTL-UHFFFAOYSA-N 305.425 2.097 0 40 DEAB CC(C)N(C)C(=O)[C@@H]1CCCN(C(=O)Nc2ccncc2)C1 63813706 PUQZIRQRBFQQMY-CYBMUJFWSA-N 304.394 2.192 0 40 DEAB CN(C(=O)[C@@H]1CCCN(CC(F)(F)F)C1)c1ncccc1F 91957017 REGVZFVNFHXXNL-SNVBAGLBSA-N 319.302 2.458 0 40 DEAB COc1ccc(-c2nc(CC(C)=O)nc(=S)[nH]2)cc1OC 6055530 KTAAJCCMRMDWTJ-UHFFFAOYSA-N 305.359 2.350 0 40 DEAB CCOC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 5093083 WPTAVXANLFWORD-UHFFFAOYSA-N 306.387 2.359 0 40 DEAB CCCCN(CC(N)=O)C(=O)c1cc(-c2ccc(C)cc2)no1 49743991 KITUALSTYVAWAP-UHFFFAOYSA-N 315.373 2.378 0 40 DEAB C[C@H](NC(=O)NCC1(c2ccc(F)cc2)CC1)c1nncn1C 65401455 NNKNBGWVWGWHTH-NSHDSACASA-N 317.368 2.046 0 40 DEAB CC(C)n1ncc2cc(NC(=O)NC[C@H]3CCCO3)cnc21 65440813 SANDNUSOVXDFDH-CYBMUJFWSA-N 303.366 2.313 0 40 DEAB O=C(Cc1ccccc1F)OCN1C(=O)c2ccccc2C1=O 5780944 JRLHVPWUGXCIHO-UHFFFAOYSA-N 313.284 2.165 0 40 DEAB C[C@H](NCCCS(=O)(=O)c1ccccc1)[C@@H](C)n1cccn1 69951287 VFUHPACGHFQOEK-LSDHHAIUSA-N 321.446 2.286 0 40 DEAB O=c1c2ccccc2[nH]c(=S)n1-c1ccc(-n2cnnn2)cc1 7045962 PKFGHHCSVRGENK-UHFFFAOYSA-N 322.353 2.024 0 40 DEAB CCCNC(=O)[C@H](C)SCc1cc(=O)n2cc(C)ccc2n1 15491598 DPXSXIKWLRCTSF-LBPRGKRZSA-N 319.430 2.151 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2ccccc2O1 15579335 FCCSZZOXDYAGSS-SFHVURJKSA-N 324.380 2.465 0 40 DEAB CCOc1ccccc1CSCc1nc(N)nc(N(C)C)n1 8751984 XKHVXSZHKHKYHU-UHFFFAOYSA-N 319.434 2.352 0 40 DEAB CC(=O)NCCNCc1ccc(OCc2csc(C)n2)cc1 7736201 ZZZAWPPAJACRPF-UHFFFAOYSA-N 319.430 2.256 0 40 DEAB Fc1ccc(-c2nnc(CSc3nnnn3C3CC3)o2)cc1 8980403 PYVWJXGRZZQEQL-UHFFFAOYSA-N 318.337 2.489 0 40 DEAB O=C(NCc1nncn1-c1ccccc1)[C@H]1COc2ccccc21 113028361 CGDDLCOEOIPCKU-HNNXBMFYSA-N 320.352 2.060 0 40 DEAB Cc1nc2cc(NS(=O)(=O)c3cccnc3)ccc2n1C 83577626 CVIWVQBKAWCSNW-UHFFFAOYSA-N 302.359 2.078 0 40 DEAB COc1cccc(CNCCNC(=O)CC2CCCC2)c1OC 71792611 WVQFXFZIWIXAJX-UHFFFAOYSA-N 320.433 2.490 0 40 DEAB CC(C)(C)c1nc(CC(=O)N2CCC(C(=O)O)CC2)cs1 96479454 FPGMIDNBWABQCP-UHFFFAOYSA-N 310.419 2.306 0 40 DEAB CCN(C(=O)C[C@H]1CCCO1)[C@@H]1CCN(c2ccccc2)C1=O 71893524 ZHVKCIXNHVREPE-HZPDHXFCSA-N 316.401 2.210 0 40 DEAB Cc1cccc(-c2cccc(CNC(=O)[C@@H](C)NC(N)=O)c2)c1 71855310 QGNPSBVRYQFKCJ-CYBMUJFWSA-N 311.385 2.335 0 40 DEAB CCc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)sc1C 72269051 VMNLRLBECLUHEY-LSDHHAIUSA-N 322.474 2.290 0 40 DEAB CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H](CC(N)=O)C2CC2)c1 72297854 XLLKWQNJJRMQPY-BLLLJJGKSA-N 318.417 2.348 0 40 DEAB CC(C)(C)[C@@H](CCO)NC(=O)c1ccc(Br)cn1 97046207 LPJVJDQJABDAKB-LLVKDONJSA-N 315.211 2.371 0 40 DEAB O=C1C[C@@H](CNC(=O)c2ccc(O)cc2F)c2ccccc2N1 97100782 YXMXMCDBCJIJMH-JTQLQIEISA-N 314.316 2.387 0 40 DEAB CCc1ccc(NC(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1F 97161762 JNEXRDLQUKGION-BXUZGUMPSA-N 310.369 2.392 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc(C)n(C(C)(C)C)n1)C2 97199090 IGSPAFZDTQXZFT-ZDUSSCGKSA-N 315.421 2.196 0 40 DEAB Cn1cccc1CNC(=O)NCc1ccc(Cn2cccn2)cc1 76085307 HFWACSWWZWKNPZ-UHFFFAOYSA-N 323.400 2.269 0 40 DEAB Cc1noc2ncc(NS(=O)(=O)c3ccc(Cl)nc3)cc12 72301068 MMJUPZNMRXTBSD-UHFFFAOYSA-N 324.749 2.380 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@@H]1CCCO1 76084788 MEESYWPMEFQOTO-IMJJTQAJSA-N 309.454 2.118 0 40 DEAB COc1cccc(CN2CCN(CC3CCOCC3)CC2)c1 77176309 HXWQYOYFWRCRDR-UHFFFAOYSA-N 304.434 2.239 0 40 DEAB O=C(/C=C/c1ccccc1)NCC(=O)N1CC[C@@H](c2ccco2)C1 95395283 OLPXPTAYOCZYHW-ROJDOSBLSA-N 324.380 2.425 0 40 DEAB CC[C@H](NC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1noc(C)n1 95413578 XSXKSYIGOIDTFP-USWWRNFRSA-N 322.365 2.234 0 40 DEAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1occc1C 95437842 AKVFWDRPHPEKGI-CYBMUJFWSA-N 305.305 2.241 0 40 DEAB O=S(=O)(NC[C@H](O)C1CCCC1)c1cccc(Cl)c1 95972887 HFQGAWCBMVDDLP-ZDUSSCGKSA-N 303.811 2.169 0 40 DEAB O=c1[nH]ncc(NC[C@H](O)c2ccc(Cl)c(F)c2)c1Cl 95977481 RAGKPWWVTPMFHK-JTQLQIEISA-N 318.135 2.361 0 40 DEAB Cc1ccccc1CC(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C 95980348 CSHLELZLNCGDOU-MRXNPFEDSA-N 313.401 2.478 0 40 DEAB O=c1n(CCSc2nc3ccccc3[nH]2)nc2ccccn12 74232783 RJQIOMJZMLLBBD-UHFFFAOYSA-N 311.370 2.165 0 40 DEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(C)[nH]c1=O 75118213 VKSWIDSDIUVUJD-UHFFFAOYSA-N 314.341 2.074 0 40 DEAB NC(=S)NNc1nc2ccc(Br)cc2s1 22125022 BFBFPELYPWXIKM-UHFFFAOYSA-N 303.210 2.219 0 40 DEAB O=C(CCn1cnc2cc(F)ccc2c1=O)NC1CCCCC1 32871295 UOZPCCUBAOLYHR-UHFFFAOYSA-N 317.364 2.375 0 40 DEAB O=C(Nc1cccc(F)c1)OC1CN(C(=O)c2ccco2)C1 186600559 CIMUYMMMBRZXSA-UHFFFAOYSA-N 304.277 2.492 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CC2)C1 76378709 JWTOYOMCSVRTIT-CABCVRRESA-N 321.442 2.190 0 40 DEAB Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)nn1C 72265227 FAVZIKVUWCGDBL-UHFFFAOYSA-N 313.401 2.207 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)Cc1ccccc1)c1cccs1 36079559 NWYBFXRAKVVQBW-AWEZNQCLSA-N 324.471 2.470 0 40 DEAB COCCc1nsc(Sc2ncn(-c3ccccc3)n2)n1 225543782 KRVCSCVWDZTICO-UHFFFAOYSA-N 319.415 2.459 0 40 DEAB NC(=O)c1ccc(CNC(=O)C2(c3cccc(F)c3)CCC2)o1 81011988 NYSNJWSSDJOKCX-UHFFFAOYSA-N 316.332 2.256 0 40 DEAB COc1cccc(C2=NO[C@H](C(=O)NCc3ccoc3)C2)c1 193552450 FFTAZJJVGQGKJJ-HNNXBMFYSA-N 300.314 2.098 0 40 DEAB CS[C@H]1CC[C@H](N(C)S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 80774060 FYUCQZOCJYDUJY-QWRGUYRKSA-N 317.480 2.438 0 40 DEAB CNS(=O)(=O)c1cccc(CNCc2cc(F)ccc2C)c1 195552838 UTVGCNNFBPRGKI-UHFFFAOYSA-N 322.405 2.332 0 40 DEAB CCCc1noc(C2CCN(C(=O)c3snnc3C)CC2)n1 40714689 JRRJEHRTRWDYSH-UHFFFAOYSA-N 321.406 2.202 0 40 DEAB Cc1cccc(NC(=O)CCn2nnc3cc(C(=O)O)ccc32)c1 575444895 ZZUFBRGANQLMSJ-UHFFFAOYSA-N 324.340 2.467 0 40 DEAB C[C@@H](NC[C@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 194865938 XVKJJAWJYOWPII-RHSMWYFYSA-N 322.474 2.251 0 40 DEAB CNC(=O)C1(NC(=O)/C(C)=C/c2ccc(F)cc2)CCCC1 97212920 NHAXISALGJQJRW-VAWYXSNFSA-N 304.365 2.404 0 40 DEAB c1cncc(O[C@@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)c1 96209433 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DEAB C[C@@]12CCN(C(=O)c3n[nH]c4c3CCCC4)[C@@H]1CC[C@@H](O)C2 257300571 RUVVZSAXOBPAIT-ZLENFMNRSA-N 303.406 2.054 0 40 DEAB C[C@H](CN(C)[C@@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1 252477990 ZFQAZKBLANEMSP-HLLBOEOZSA-N 304.434 2.406 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)n1 257219113 DFPRHTHCJUARLE-CYBMUJFWSA-N 311.451 2.180 0 40 DEAB CSc1ccc2c(c1)sc(=NC(=O)c1ccn(C)n1)n2C 252443959 FTOJJWBLDCGQPC-UHFFFAOYSA-N 318.427 2.436 0 40 DEAB COC[C@@H]1CN(C(=O)Cc2noc3ccccc23)CC(C)(C)O1 285040373 NODQCRRLGPVMFW-LBPRGKRZSA-N 318.373 2.023 0 40 DEAB c1ccc(O[C@H]2CCOC3(C2)CN(Cc2nccs2)C3)nc1 585105301 SOZLGRWISVPUHT-ZDUSSCGKSA-N 317.414 2.351 0 40 DEAB CCn1cc(S(=O)(=O)N2CC[C@H](c3ccccc3C)C2)cn1 66917033 LMAWLNVERZXQHK-AWEZNQCLSA-N 319.430 2.390 0 40 DEAB CC(C)N1CCCC[C@H]1c1cncc(N2CCC(O)CC2)n1 72366292 YSZQSKNNILGQMF-INIZCTEOSA-N 304.438 2.373 0 40 DEAB Cc1nc(C(=O)OCCN2CCCCCC2=O)c2ccccn12 76090105 CUSFNDMPFOVFSJ-UHFFFAOYSA-N 315.373 2.202 0 40 DEAB C[C@H](C(=O)NC[C@H](NC(=O)[C@@H](C)C1CC1)C(F)(F)F)C1CC1 567580173 AXASMSAWTHWJBI-AUTRQRHGSA-N 320.355 2.242 0 40 DEAB CC(=O)N1CCC(N2CCC[C@H](O)[C@@H]2Cc2ccccc2)CC1 1615191646 WKPWVCOPGXUXPS-OALUTQOASA-N 316.445 2.065 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CSc1nc(N)cc(=O)[nH]1 5014496 FMTJCRDFKGTCGH-UHFFFAOYSA-N 324.793 2.045 0 40 DEAB NC(=S)c1cc(Br)c(Br)cc1N 12112953 QNSHLIUXLRBZDL-UHFFFAOYSA-N 310.014 2.428 0 40 DEAB CCc1nn2c(=O)cc(COC(=O)C(CC)CC)nc2s1 15734014 KAJJJDMNNRIKDW-UHFFFAOYSA-N 309.391 2.193 0 40 DEAB CC(C)N1C[C@H](C(=O)N(C)C)[C@@]2(CCc3ccccc3[C@H]2O)C1 247968788 HCOUGQYVOJFBGI-ZHALLVOQSA-N 316.445 2.081 0 40 DEAB NC(=O)[C@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 10268084 XIKOJQLWKRYGQW-QGZVFWFLSA-N 319.364 2.434 0 40 DEAB O=C1COc2cc(C(=O)N(Cc3cccnc3)C3CC3)ccc2N1 28517601 MZRREEJFWAQVDQ-UHFFFAOYSA-N 323.352 2.217 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3cscn3)C2)nc1 1775995796 JCEBSIKDWYAEHD-GFCCVEGCSA-N 318.402 2.173 0 40 DEAB COc1ccc(CCNC(=O)NC[C@](C)(O)c2ccco2)cc1 75156360 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DTOUYHPTJPHYHC-UHFFFAOYSA-N 314.721 2.392 0 40 DEAB O=C1c2ccccc2C(=O)N1c1n[nH]c2nc3ccccc3nc12 3852421 OQZZWUIQUXHTFT-UHFFFAOYSA-N 315.292 2.307 0 40 DEAB COc1cccc(CC(=O)Nc2nnc(C(F)(F)F)[nH]2)c1 29388874 LOKGEXKNPLKUAF-UHFFFAOYSA-N 300.240 2.013 0 40 DEAB Nn1c(SCC(=O)N2CCCCC2)nnc1C1CCCCC1 20860569 HNMVQVDAGDIJNY-UHFFFAOYSA-N 323.466 2.144 0 40 DEAB Cc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1C 46035128 YUIQAHYRLMEHMZ-ZDUSSCGKSA-N 310.463 2.314 0 40 DEAB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)NC1CCCC1 8328592 COYGQMQYHYAXBT-SECBINFHSA-N 310.781 2.265 0 40 DEAB CN(C(=O)C1CC1)C1CCN(c2ncnc3ccccc23)CC1 69520361 PWAPLWDBTXGVCD-UHFFFAOYSA-N 310.401 2.467 0 40 DEAB CCCn1nnc(NC(=O)c2ccc(OCC(C)C)cc2)n1 569372 YJEFMUKXUYHUPK-UHFFFAOYSA-N 303.366 2.370 0 40 DEAB CC(C)NC(=O)CN(C)CCCc1nc(-c2cccs2)no1 37117575 JTXMPVCHGLJVLM-UHFFFAOYSA-N 322.434 2.187 0 40 DEAB CSc1ncccc1C(=O)NCc1ccc2c(c1)OCO2 2726460 LNQADYBQPINUTE-UHFFFAOYSA-N 302.355 2.462 0 40 DEAB Cn1ccc(C(=O)NC[C@@H]2SCCc3ccccc32)cc1=O 89756656 UDXXEXYULQTUDS-HNNXBMFYSA-N 314.410 2.146 0 40 DEAB NC(=O)[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1 12259225 FPBNQVFPBNNCDR-DXBFTMOHSA-N 315.369 2.152 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCO1 23893525 UYSHWDVPFGGEMD-OAHLLOKOSA-N 302.374 2.064 0 40 DEAB Nc1nccnc1C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 24694815 WSEJFPPXQFGMAP-NSHDSACASA-N 323.356 2.220 0 40 DEAB COc1ccccc1-c1nc(C(=O)N2CCN(C)CC2)cs1 57559466 LNYVOJHQQCXZPJ-UHFFFAOYSA-N 317.414 2.206 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N(C)CCc2ccncc2)c1 57995213 AXGBHYLZRPIZRX-UHFFFAOYSA-N 308.378 2.392 0 40 DEAB COc1cccc(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1O 58157043 NSXLPJOVGZKJKI-LBPRGKRZSA-N 321.373 2.349 0 40 DEAB COc1ccc(Cl)cc1-c1n[nH]c(SCCC(N)=O)n1 10125914 KXEMPYUTGZQVQU-UHFFFAOYSA-N 312.782 2.101 0 40 DEAB COc1ccc(NC(=O)NCCCOCc2ccco2)cn1 44950916 HJTDRXKTCHQTBM-UHFFFAOYSA-N 305.334 2.412 0 40 DEAB Cc1noc2ncc(C(=O)NC[C@H]3CCCN(C(C)C)C3)cc12 58393884 FWVSZCJWYNZZSP-CYBMUJFWSA-N 316.405 2.381 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccccc1F 36394632 NSNIANGOORUWAD-NSHDSACASA-N 313.394 2.188 0 40 DEAB O=C(O)[C@H]1CCN(Cc2cc(Br)ccc2F)C1 62134376 WKIBBKWASAAEBR-QMMMGPOBSA-N 302.143 2.495 0 40 DEAB C[C@@H](C(=O)Oc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 3368733 VVZAAEXXZZADLA-JTQLQIEISA-N 313.284 2.416 0 40 DEAB O=C1CC[C@@]2(C(=O)NCc3cccc(Cl)c3)SCCN12 12872646 KHTBDCCCZAWQBA-AWEZNQCLSA-N 310.806 2.022 0 40 DEAB Cc1c(C(=O)N(C)CCN2CCOCC2)oc2ccccc12 69657448 KJZBKPLOQWYUAC-UHFFFAOYSA-N 302.374 2.145 0 40 DEAB COc1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1 8240369 TUZMCJWGNWEKDP-UHFFFAOYSA-N 309.325 2.044 0 40 DEAB CCOc1cc2c(=O)ccn(CCC(=O)OC)c2cc1OCC 62718848 YHBOUQCDBQSDOM-UHFFFAOYSA-N 319.357 2.362 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCN(CCC(C)C)CC1 69376954 QRFOLABWAJJTTQ-AWEZNQCLSA-N 320.481 2.331 0 40 DEAB Cc1ccccc1-c1noc(CN2CCC[C@H]2Cn2cncn2)n1 69621066 SZNAXFBJGLCBQH-AWEZNQCLSA-N 324.388 2.301 0 40 DEAB COc1cc(CN[C@@H](C)[C@@H](C)n2cccn2)cc2c1OCO2 69418484 ITEDMYYHITYBAV-NWDGAFQWSA-N 303.362 2.360 0 40 DEAB Clc1ccc(-n2nnnc2SCCn2cccn2)cc1 49517352 NFPIEVJVIKGBRG-UHFFFAOYSA-N 306.782 2.305 0 40 DEAB CN1CCCc2cc(NC(=O)NCCCn3ccnc3)ccc21 64430119 ZIRWWNDZVFYHCK-UHFFFAOYSA-N 313.405 2.477 0 40 DEAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(Cl)cn1 4472983 LNHIVJMLNPUWPF-UHFFFAOYSA-N 324.789 2.289 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)NCCc1ccc2c(c1)OCCO2 65423224 DPOPQWRTVQRQCK-UHFFFAOYSA-N 316.361 2.162 0 40 DEAB O=C1NCCCC[C@@H]1Sc1nc(Cc2cccs2)n[nH]1 65519635 GCYLLINHHGZNLU-JTQLQIEISA-N 308.432 2.218 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCOCC(F)(F)F 69810376 UROMSLGJOVMDFK-STQMWFEESA-N 322.371 2.431 0 40 DEAB Cc1ccccc1NC(=O)C[C@H]1SC(N2CCCC2)=NC1=O 14244880 UPIDWHNAOXZJCB-CYBMUJFWSA-N 317.414 2.417 0 40 DEAB CCN(CC(=O)NCc1cccs1)C(=O)c1ccc(C)o1 6561446 LIPKABSLMGTTGA-UHFFFAOYSA-N 306.387 2.428 0 40 DEAB CC(=O)NC1(C(=O)N2CCC[C@@H](c3nccs3)C2)CCCC1 67046389 HNQFFYOBOQWMNH-CYBMUJFWSA-N 321.446 2.298 0 40 DEAB Cc1ccc(O)c(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 7839947 DPYTXBPXLNBHQR-UHFFFAOYSA-N 314.293 2.469 0 40 DEAB CNC(=O)C[C@@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71385612 OREYAEFQSCTOKQ-LJQANCHMSA-N 308.381 2.280 0 40 DEAB COC(=O)[C@H]1C[C@H](N2CCC(c3ccc(F)cc3)CC2)[C@H](O)C1 83423124 JDLGCUAPLDHNLA-BHYGNILZSA-N 321.392 2.318 0 40 DEAB Cc1cc(O[C@@H](C)C(=O)N2CCNC(=O)CC2)ccc1C(C)C 71839496 ICUZXYJSGYVDFM-AWEZNQCLSA-N 318.417 2.234 0 40 DEAB c1cc(CNCc2cnc(N3CCCC3)nc2)c2c(c1)OCO2 71821852 MBMSXQJMAMMMLI-UHFFFAOYSA-N 312.373 2.095 0 40 DEAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)cc1C 72053843 LNASVXJSGUUHET-OAHLLOKOSA-N 318.442 2.441 0 40 DEAB COc1nc(C(=O)NC[C@H](C)N(C)C2CC2)cc2ccccc12 72095174 UCEYGMIQBQEGQP-LBPRGKRZSA-N 313.401 2.456 0 40 DEAB CC[C@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@H]1N(C)C 89948532 AOFPRFQNBWSXQY-GOEBONIOSA-N 317.433 2.283 0 40 DEAB CC(C)[C@@H]1CN(C(=O)NCCOCC(F)(F)F)CCS1 76085470 IUFMQVLCOYHAHL-JTQLQIEISA-N 314.373 2.348 0 40 DEAB CCOc1c(F)cccc1C(=O)N1CC[S@@](=O)[C@@H](C)[C@@H]1C 76091206 IBTXSXXPGFPCNM-HJTOQOCKSA-N 313.394 2.206 0 40 DEAB C[C@H](CCc1cccn1C)NC(=O)N[C@H]1CCN(CC2CC2)C1 76088513 ALAYQVRTZKSEKU-ZBFHGGJFSA-N 318.465 2.130 0 40 DEAB CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCc2cnccc21 97084689 IVZSRJQIWBJNFS-OAHLLOKOSA-N 301.390 2.152 0 40 DEAB CCOc1ccc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)nn1 97082493 PJKPNCDFXNMQPD-CYBMUJFWSA-N 320.437 2.254 0 40 DEAB Cn1cnn(Cc2nc(-c3c(F)cccc3F)cs2)c1=O 97098203 YRLBHNPIFSBXRM-UHFFFAOYSA-N 308.313 2.032 0 40 DEAB C[S@](=O)C[C@H](NC(=O)Cc1cccc(O)c1)c1ccccc1 78997673 GAIHPYHTDSOGAK-KSFYIVLOSA-N 317.410 2.171 0 40 DEAB C[C@H](CC(=O)N1CCCSCC1)NC(=O)c1ccccc1 84636720 WQJRZJSINQOJGN-CYBMUJFWSA-N 306.431 2.161 0 40 DEAB CCc1noc(CN(C)C(=O)c2cc(F)cc(Cl)c2O)n1 95426849 RSTRNOHADOFGEX-UHFFFAOYSA-N 313.716 2.402 0 40 DEAB Cc1cnn(-c2ccncc2NCc2cc(C(N)=O)cs2)c1 95988529 RKQOJABJAAOHND-UHFFFAOYSA-N 313.386 2.348 0 40 DEAB C[C@@H]1CC[C@H](C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)O1 95978422 LCEXTTYEHWDZLO-HMTTWLPMSA-N 324.371 2.394 0 40 DEAB O=S(=O)(Nc1cnccn1)c1cccc(C(F)(F)F)c1 95945392 PSSFPGJICIGCND-UHFFFAOYSA-N 303.265 2.296 0 40 DEAB O=C(Cc1cc(-c2ccc3c(c2)OCO3)on1)N1CCCC1 38497788 HPMYSFAXVNHGJT-UHFFFAOYSA-N 300.314 2.235 0 40 DEAB O=C(CCc1ccsc1)NCC(=O)NCc1ccccc1 32923045 CTQSYPHQBDOLBB-UHFFFAOYSA-N 302.399 2.113 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccc(Cl)c1 72227585 ATMOSSONZDADHU-CABCVRRESA-N 316.744 2.484 0 40 DEAB NCCc1nnc2ccc(-c3cccc(Br)c3)nn12 217566353 IHSSVECJCBJTHA-UHFFFAOYSA-N 318.178 2.055 0 40 DEAB O=C(C1CCC1)N1CCC(c2cncc(-n3ccnc3)n2)CC1 72355381 ALYKCMVAKTZYQI-UHFFFAOYSA-N 311.389 2.168 0 40 DEAB CC(=O)N1CC(c2cc(Nc3nc(C)cs3)nc(C)n2)C1 72382673 NHOLKHKSZIWBHX-UHFFFAOYSA-N 303.391 2.239 0 40 DEAB O=C(O)Cc1cnc(Cc2ccc(Cl)c(Cl)c2)[nH]c1=O 78404194 RCQIWNNAXMIMCB-UHFFFAOYSA-N 313.140 2.295 0 40 DEAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)NC1CC1 225726176 BYPZUFARMWLGJG-UHFFFAOYSA-N 321.174 2.043 0 40 DEAB O=c1[nH]c(N2CCN(c3ccccc3)CC2)nc2ccccc12 41604460 VNYIGGMFXJBHLM-UHFFFAOYSA-N 306.369 2.250 0 40 DEAB CCN(c1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccccc1 224351907 YOJAMCBWZDUDQZ-UHFFFAOYSA-N 318.398 2.261 0 40 DEAB COc1ccc(-c2cc(N3CCC(C(=O)O)CC3)ncn2)cc1 49455660 CPZWZARMGPIDBH-UHFFFAOYSA-N 313.357 2.453 0 40 DEAB O=C1NCCN1C(=O)NCc1cccnc1-c1ccsc1 225647770 YNILTJOYTVYWPM-UHFFFAOYSA-N 302.359 2.045 0 40 DEAB Cc1cc(C(=O)Nc2nnn(Cc3ccccc3F)c2C)on1 192367621 GKMXOLPKKFIMMA-UHFFFAOYSA-N 315.308 2.323 0 40 DEAB Cc1cccc(C(=O)N2C[C@@H](CNc3ncccn3)C[C@@H]2C)n1 1068291283 VJHSDRRGWUYFDB-UONOGXRCSA-N 311.389 2.143 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nc(C)no3)cc2)n1 61621702 MJYVRSAPFRVELM-UHFFFAOYSA-N 311.345 2.492 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)Nc1cc(-c2ccccc2)on1 85610555 DREWLUDQYVWRII-LLVKDONJSA-N 312.333 2.143 0 40 DEAB Cc1ncsc1CCC(=O)N1C[C@H](C)O[C@@]2(CCCOC2)C1 576207347 PJJWYBFCZUWYKG-LRDDRELGSA-N 324.446 2.181 0 40 DEAB Cc1ccc(F)c(-c2cc(NC(=O)[C@@H](C)n3cncn3)[nH]n2)c1 190091935 JJMXBGDXRFDMDE-SNVBAGLBSA-N 314.324 2.315 0 40 DEAB CC[C@H]([C@H](N)c1ccc(Br)cc1)S(C)(=O)=O 96524860 CMAONDQEWJWNJQ-GHMZBOCLSA-N 306.225 2.272 0 40 DEAB CCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc2c(c1)OCO2 96186202 ZROIRHDHKSDEOW-ZIAGYGMSSA-N 302.374 2.001 0 40 DEAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(C2CCC2)C3)n1 96110465 BCFXBKUBUSDVGG-WBVHZDCISA-N 303.406 2.197 0 40 DEAB c1ccc(O[C@H]2CO[C@@]3(CCN(CC4CCOCC4)C3)C2)nc1 96107840 YRDHSQLZXJZFKQ-AEFFLSMTSA-N 318.417 2.120 0 40 DEAB CCS[C@H]1CCC[C@H](NC(=O)CNC(=O)C(C)(C)C)C1 96451464 GFBYKLCBDHSNJZ-RYUDHWBXSA-N 300.468 2.329 0 40 DEAB CCS[C@@H]1CCC[C@H](NS(=O)(=O)c2cnn(CC)c2)C1 96452729 SUDMIEYHFJHOAI-NWDGAFQWSA-N 317.480 2.246 0 40 DEAB CN(C)c1ncncc1NC(=O)COc1ccccc1Cl 96482578 WJKZEMZQQOXSDR-UHFFFAOYSA-N 306.753 2.214 0 40 DEAB O=C(NC[C@H](O)C1CCOCC1)C1(c2cccc(F)c2)CCC1 96454969 LGUKRNWEYIMVAE-INIZCTEOSA-N 321.392 2.151 0 40 DEAB Cc1cc([C@H]2CN(C(=O)c3scnc3C)CCO2)nc(C)n1 257308689 TXSNACXMRWOFRX-CYBMUJFWSA-N 318.402 2.072 0 40 DEAB CN(C)Cc1ccnc([C@H]2CCCN2Cc2cscn2)n1 257210586 BVGKPZPSHDYXSQ-CQSZACIVSA-N 303.435 2.332 0 40 DEAB Cc1occc1CN(C)C(=O)NCc1ncnn1C(C)(C)C 282010851 VCSFACFISXGUOV-UHFFFAOYSA-N 305.382 2.276 0 40 DEAB O=C(NC[C@@H](O)C1CC1)NCC1(c2ccc(F)cc2)CCC1 95349733 HSZFNFWSFOHTGZ-OAHLLOKOSA-N 306.381 2.318 0 40 DEAB Nc1ccc(S(=O)(=O)C(F)(F)F)cc1Br 95932283 LPXDXOWAAJJLOT-UHFFFAOYSA-N 304.087 2.325 0 40 DEAB CNC(=O)NC(C)(C)c1cccc(C(C)(C)NC(=O)NC)c1 5383933 WWVADVHVWKOMDT-UHFFFAOYSA-N 306.410 2.015 0 40 DEAB O=S(=O)(Oc1cccc(F)c1)c1ccc2c(c1)OCCO2 16090476 CZDLPTFFYCLWPD-UHFFFAOYSA-N 310.302 2.365 0 40 DEAB COCC(=O)N1CCC(c2nc(C)n3c(C)csc23)CC1 19240554 URUXXAQLJUWRIF-UHFFFAOYSA-N 307.419 2.365 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC[C@]1(C)C(=O)NC1CCCC1 19746733 BVJILMTVVPUUFZ-QGZVFWFLSA-N 319.405 2.345 0 40 DEAB CCc1cnc(OC2CCN(c3nccn4nccc34)CC2)nc1 1776002030 ZJOVIHLLDFNZCO-UHFFFAOYSA-N 324.388 2.130 0 40 DEAB Cc1cc(C(=O)N2C[C@H]3CCN(CC(C)C)CC[C@H]3C2)n(C)n1 2056223343 GVCDQKFVUNTROS-IYBDPMFKSA-N 318.465 2.169 0 40 DEAB Cc1ccc(CC(=O)Nc2nnc(-c3ccnn3C)o2)cc1C 38871397 FLFALVQTDXYKED-UHFFFAOYSA-N 311.345 2.268 0 40 DEAB CC[C@@H](C(=O)NCCOCCn1cccn1)c1ccccc1 575619245 JSVDLEACHOWKBP-MRXNPFEDSA-N 301.390 2.210 0 40 DEAB Cc1csc2c(N3CCC(C(=O)NC4CC4)CC3)ncnc12 366432997 RKZWJWQGRIHFFD-UHFFFAOYSA-N 316.430 2.495 0 40 DEAB Fc1ccc2ncnc(N3CC(c4nnc5ccccn45)C3)c2c1 2298235443 MRTVBXDLIXXWLV-UHFFFAOYSA-N 320.331 2.415 0 40 DEAB NC(=O)Nc1ccc(CNC(=O)c2c(F)cccc2F)cc1 40049278 LSBTWRGFSMTJMQ-UHFFFAOYSA-N 305.284 2.385 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H](C2CCCCC2)N(C)C)s1 40103485 QJCREYVPZIDFFN-LBPRGKRZSA-N 311.455 2.479 0 40 DEAB COc1ccc(CCN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 50274402 CQQOUSLFWVECTH-GOSISDBHSA-N 310.397 2.150 0 40 DEAB CCN(CC)C(=O)CCNC(=O)CCCOCc1ccccc1 50588306 YWRXSNXHYGJZLB-UHFFFAOYSA-N 320.433 2.358 0 40 DEAB O=C(CCCOc1ccccc1Cl)NCCCn1cncn1 50582667 PSXIBFYZXGBVBS-UHFFFAOYSA-N 322.796 2.297 0 40 DEAB Cc1csc(=O)n1CCN(C)Cc1ccc2c(c1)OCO2 40466313 NEZWERXCYDBEMH-UHFFFAOYSA-N 306.387 2.079 0 40 DEAB O=C(O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c1 197729 VTOBAQSGVFJUTB-KPWCQOOUSA-N 309.321 2.086 0 40 DEAB Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2cnn(C)c2n1 36616756 MLNYNNDCHIRVFN-UHFFFAOYSA-N 324.340 2.300 0 40 DEAB Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)cc1 67730819 ZYYVKZPONNWEGI-CYBMUJFWSA-N 306.431 2.425 0 40 DEAB Cn1ccnc1COc1ccc(COC(=O)c2cc[nH]n2)cc1 69419672 JIFFAZVKPLGNTM-UHFFFAOYSA-N 312.329 2.079 0 40 DEAB COc1cc2nc(NC(=O)C3=COCCO3)sc2cc1OC 4479922 GKKJTEAMUHGKTK-UHFFFAOYSA-N 322.342 2.140 0 40 DEAB Cc1ccc(-n2[nH]c(C(=O)N3C[C@H]4[C@H](C3)C4(C)C)cc2=O)cc1 101413657 DOUIYZWIYFOVHK-KBPBESRZSA-N 311.385 2.202 0 40 DEAB COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1c1ccccc1Cl 364278 YQFURXWZFNSPLS-ZDUSSCGKSA-N 322.748 2.400 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2)c1 7966724 UOFCDBUEBWEGQH-UHFFFAOYSA-N 304.371 2.189 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)OCc1cccc(F)c1 21462184 UJANTOWASXHTLA-UHFFFAOYSA-N 312.300 2.279 0 40 DEAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)c1cc(Cl)c[nH]1 21497744 TVUOAVJNIUSFJX-NSHDSACASA-N 324.789 2.317 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@@H](C)c2nc(=O)c3ccccc3[nH]2)c1 69571202 GSNPPOFKOXMBBS-OLZOCXBDSA-N 311.389 2.167 0 40 DEAB CC[C@@H](CO)N(Cc1ccco1)C(=O)c1cc2ccccn2n1 55183309 NGGIOQUUUKTGPW-ZDUSSCGKSA-N 313.357 2.341 0 40 DEAB FC(F)(F)c1ccnc(N2CCCN(c3ncccn3)CC2)n1 69561296 QSNNXABHCZFUHT-UHFFFAOYSA-N 324.310 2.002 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@@H]3CCC[C@H]32)c(OC)c1 53372570 SHGQJXSYXYMDFX-HUUCEWRRSA-N 305.374 2.026 0 40 DEAB O=C(Cc1ccc(Br)cc1)NCCCn1cccn1 27928686 CJFWEPDTQMCCRS-UHFFFAOYSA-N 322.206 2.395 0 40 DEAB CC[C@H](O)[C@@H]1CCCCN1CCS(=O)(=O)c1ccccc1 71907797 DBILRPAVIODIPR-HOTGVXAUSA-N 311.447 2.086 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@H](CO)C1 80471375 JUVIULQPNCFCIW-RYUDHWBXSA-N 310.369 2.309 0 40 DEAB CN(C)C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 25767381 WJCWUKGQUKUTMA-KRWDZBQOSA-N 318.442 2.409 0 40 DEAB C[C@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc2c(c1)CCCC2 43861232 OGGPDXUTZWCSPQ-LRDDRELGSA-N 315.417 2.143 0 40 DEAB COc1ccc(CCNC(=O)Nc2cccnc2)cc1OC 24535604 KJSTZPZLZYHXJM-UHFFFAOYSA-N 301.346 2.463 0 40 DEAB O=C(c1ccc(Cn2cc(Cl)cn2)cc1)N1CCOCC1 28226738 LXUXSHLFQBIRQL-UHFFFAOYSA-N 305.765 2.057 0 40 DEAB Cc1nccn1CCCCN1CCC[C@H](CNC(=O)C(C)C)C1 89735577 SBIOIRWUXLAJIN-QGZVFWFLSA-N 320.481 2.456 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)CCOc2ccccc2)c1 10084650 QBSSSGXJKDNZAR-UHFFFAOYSA-N 323.356 2.285 0 40 DEAB CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H]2CCCO2)cn1 44968578 VVERYTUUQIMONF-ZFWWWQNUSA-N 320.437 2.295 0 40 DEAB CCN(Cc1nc(Cc2ccccc2)no1)C[C@@H](C)C(=O)OC 58431084 LCYUDGSRALDUIB-CYBMUJFWSA-N 317.389 2.291 0 40 DEAB CCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 2317025 BTEICAMCFLMAMT-SECBINFHSA-N 310.423 2.114 0 40 DEAB COc1cc(-c2ccccc2)sc1C(=O)NCCNC(C)=O 48186025 FCJZUKJHYZXDKY-UHFFFAOYSA-N 318.398 2.290 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1ccc(F)cc1Cl 12987281 JRHHXICHOGCQSY-UHFFFAOYSA-N 318.739 2.494 0 40 DEAB COc1ccc(Cl)cc1S(=O)(=O)N1[C@H](C)COC[C@H]1C 22259095 OMWUDKSUCSCEJL-NXEZZACHSA-N 319.810 2.147 0 40 DEAB C[C@H](c1ccco1)N(C)C(=O)Nc1cnn(-c2ncccn2)c1 81082705 HDWOYDYSVXMDJW-LLVKDONJSA-N 312.333 2.480 0 40 DEAB NC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3 4082955 HPYQGFAZWFYMHE-UHFFFAOYSA-N 308.432 2.120 0 40 DEAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccc(F)cc1 7990556 VUNWIVJOOLLOQE-UHFFFAOYSA-N 322.361 2.127 0 40 DEAB COc1ccc(CNC(=O)c2cc(C3CC3)on2)c(OC)c1 65410532 NLYPPQYQZLVXHT-UHFFFAOYSA-N 302.330 2.499 0 40 DEAB Cc1ccc2c(CC(=O)N(C)CC(=O)NC3CC3)coc2c1C 14245364 DFOOTYZOAONMBO-UHFFFAOYSA-N 314.385 2.329 0 40 DEAB NC(=O)c1c(NC(=O)NCc2ccccn2)sc2c1CCC2 6672181 PUWNZFFBLCXZCI-UHFFFAOYSA-N 316.386 2.052 0 40 DEAB O=c1c2ccccc2ncn1Cc1nc(-c2ccccc2)no1 8241080 LRGCWGPFDBIKHS-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB CCN(CC)C(=O)[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 20608551 PMWYJVFDNLCZGY-OAHLLOKOSA-N 306.362 2.065 0 40 DEAB CC(C)n1ccnc1CN1CCCN(C(=O)c2ccco2)CC1 69848631 MQASVXQYXXHWHJ-UHFFFAOYSA-N 316.405 2.405 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)COC2 69921994 CYDHVWAGQUJOQN-SJORKVTESA-N 300.402 2.416 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)c1cccc2c1ccn2C 70666255 TYWSTKOZEUAFEK-ZDUSSCGKSA-N 320.414 2.203 0 40 DEAB biogenic Cc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1C 8971010 PMEHWZFCKXIFSV-UHFFFAOYSA-N 324.428 2.304 0 40 DEAB Cc1cnc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)o1 89702349 LICVWPKZQDEQLC-UHFFFAOYSA-N 318.757 2.395 0 40 DEAB COc1cccc2c1OC[C@@H](NC(=O)N(C)Cc1ccco1)C2 71796330 JWVTWRFQVKTYPS-ZDUSSCGKSA-N 316.357 2.433 0 40 DEAB Cn1cc([C@@H]2CCCN2CCC(=O)NC2CCCCC2)cn1 71797259 URAIKKWRFJOZKZ-INIZCTEOSA-N 304.438 2.396 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)[C@H]2CCCc3ccccc32)C1 96426640 REERMJIMOFBTLL-HIFRSBDPSA-N 302.374 2.063 0 40 DEAB O[C@H](CNCc1cnc(N2CCCC2)nc1)c1cccc(F)c1 71832872 KDOSLGXSMSXTNB-MRXNPFEDSA-N 316.380 2.039 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 97035354 LQKCIMHCIIJFPW-SDDRHHMPSA-N 309.312 2.392 0 40 DEAB CC[C@H](O)CCNC(=O)NCc1cc(Cl)cc2c1OCC2 97114805 PADDXKPCSSCHAV-ZDUSSCGKSA-N 312.797 2.235 0 40 DEAB CC(C)N1CCN(C(=O)Nc2ccccc2C[S@](C)=O)CC1 97141003 COYPDSTVSXRLCA-JOCHJYFZSA-N 323.462 2.123 0 40 DEAB NC(=O)[C@H]1CCCC[C@@H]1NC1CCN(CCC(F)(F)F)CC1 97113858 SVDNISYCDASOAL-STQMWFEESA-N 321.387 2.037 0 40 DEAB CCOC(=O)[C@H](C)OC(=O)c1cc(Cl)c2c(c1)OCCO2 76091048 ZESCDZJUWSFMJO-QMMMGPOBSA-N 314.721 2.220 0 40 DEAB CN(CC1CCC1)C(=O)N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1 95397958 VRNCTQIVJHWDES-UKRRQHHQSA-N 307.438 2.265 0 40 DEAB CC1(C)CCC[C@@H](CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)C1 95439654 OKXRODKLMAUOOY-ZFWWWQNUSA-N 324.465 2.380 0 40 DEAB Cc1nc(CNC(=O)N(Cc2ccccc2)CC(F)F)no1 95413538 UZTNLPKJGMHHHN-UHFFFAOYSA-N 310.304 2.355 0 40 DEAB Cc1noc(C)c1[C@H](C)CNC(=O)COc1ccccc1O 95434529 VAHYSEDNCHAMDF-SNVBAGLBSA-N 304.346 2.296 0 40 DEAB Cc1nc(CNC(=O)NCc2nnc(C(C)C)s2)oc1C 95410099 LDCQMDJKBWZWKW-UHFFFAOYSA-N 309.395 2.266 0 40 DEAB CSC[C@](C)(O)CNC(=O)Nc1ccc2ccn(C)c2c1 78937880 BNINFHALDZEDSA-OAHLLOKOSA-N 307.419 2.414 0 40 DEAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)c1cccnc1 88479902 OVLOQKVTHSZXNT-WCQYABFASA-N 314.393 2.131 0 40 DEAB CCC(=O)N1CCN(C(=O)c2cc3ccccc3cc2N)CC1 95971102 KXARXVNFDSYNAF-UHFFFAOYSA-N 311.385 2.116 0 40 DEAB Cc1ccc(CNC(=O)N[C@@H](CO)Cc2ccccc2)s1 79144805 BLFOMOPFAZGLKN-CQSZACIVSA-N 304.415 2.459 0 40 DEAB Cc1ccc2c(O)c(C(=O)N(C)Cc3nccs3)cnc2n1 74831542 MPZZXCLTIXDTNT-UHFFFAOYSA-N 314.370 2.373 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)NC[C@H](O)c2cccs2)C1(C)C 74942129 ZZAQGXLPEQIULC-ITDIGPHOSA-N 312.435 2.284 0 40 DEAB CCC[C@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1 89472983 WSBCPGCENDKJFB-INIZCTEOSA-N 318.417 2.224 0 40 DEAB O=C(OCc1nncn1C1CC1)c1occc1Br 89492230 DLDFRWSXHNDKIU-UHFFFAOYSA-N 312.123 2.326 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCCNC1=O 75126708 SGELALAOEAYFEF-JTQLQIEISA-N 301.268 2.106 0 40 DEAB COCCN(Cc1ccc(C)o1)C(=O)[C@H]1CCCc2[nH]ncc21 89656023 HDTJJGGXNPNGBV-AWEZNQCLSA-N 317.389 2.406 0 40 DEAB Cc1ccc2c(c1)OCCC[C@H]2NCc1nnnn1CC1CC1 546723648 NTAXZCHHORAAFC-OAHLLOKOSA-N 313.405 2.395 0 40 DEAB O=C(c1cscn1)N1CC[C@](C(=O)O)(c2ccccc2)C1 516929679 KRDPFVORKNJUKS-OAHLLOKOSA-N 302.355 2.012 0 40 DEAB CC1CN(C(=O)CNC(=O)c2ccc(Cl)cc2Cl)C1 548908547 RIUCIHZADLNNRD-UHFFFAOYSA-N 301.173 2.202 0 40 DEAB CC[C@H](NC(=O)Cn1ccccc1=O)c1cc(F)ccc1F 77137718 BBXAWTQPLIIXLH-AWEZNQCLSA-N 306.312 2.394 0 40 DEAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)n1 72369742 DKDKJCCNTCNOJC-ZDUSSCGKSA-N 316.430 2.417 0 40 DEAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC[C@H]2CCNC2)C1=O 566063165 GAGAMHWTARERQR-BZNIZROVSA-N 321.808 2.107 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc2cc[nH]c2c1 79051824 CITSZPIOIHFEKK-UHFFFAOYSA-N 308.403 2.111 0 40 DEAB Cc1cccc(C)c1[C@H](C)NC(=O)NCCN1CCCOCC1 225472172 FSOKCVAQQMVZTM-INIZCTEOSA-N 319.449 2.386 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 45952732 XSGLDHUMTGGWGV-SECBINFHSA-N 312.163 2.283 0 40 DEAB O=C1CC[C@@]2(C(=O)Nc3ccccc3)N=C(O)c3ccccc3N12 40312682 UWFXVJPYPIDFOH-GOSISDBHSA-N 321.336 2.467 0 40 DEAB biogenic Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2c[nH]nn2)c1 133597638 OQJOJIMVSXJLJB-HIFRSBDPSA-N 300.362 2.233 0 40 DEAB COCCCN(C)C(=O)N1CCO[C@H](c2ccccc2C)C1 195576881 RJOLPVNVIPSQKT-INIZCTEOSA-N 306.406 2.457 0 40 DEAB CCNc1ccc(Cl)cc1C(=O)N(C)C[C@H](C)c1nnn[nH]1 193807264 LUPJWAOOOXHCPL-VIFPVBQESA-N 322.800 2.161 0 40 DEAB CS(=O)(=O)c1ccc(CN(CCCO)c2ccccc2)cc1 225467035 YQBMFSMUVQIMFJ-UHFFFAOYSA-N 319.426 2.479 0 40 DEAB CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2cccc3cc[nH]c23)C1 83956941 KPDWMXDRMDSCQX-NWDGAFQWSA-N 307.371 2.290 0 40 DEAB Cc1cc(CN2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)no1 96042287 HMKFUYOLULEJCU-YQQAZPJKSA-N 315.373 2.189 0 40 DEAB CCCN(C)C(=O)Nc1cccc(C[S@@](=O)CCOC)c1 96409002 ALXQDNQQWBGBDL-OAQYLSRUSA-N 312.435 2.455 0 40 DEAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(C)o1 96060549 NYOCUTSCZBVFAN-MRXNPFEDSA-N 316.405 2.335 0 40 DEAB Cc1ccccc1OC[C@H](O)CN1CCc2ccc(O)cc2C1 532731389 POTJWHCDZLHFSP-GOSISDBHSA-N 313.397 2.499 0 40 DEAB NS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1=CCCCC1)CC2 96412464 NNWSXMHJYHOMLC-UHFFFAOYSA-N 320.414 2.114 0 40 DEAB Cc1nc(C)c(C(=O)N2CCn3c(nnc3-c3ccccc3)C2)o1 96444825 FZRRVUFCCBBOBI-UHFFFAOYSA-N 323.356 2.206 0 40 DEAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccncc2)C1 96420628 XWMRPOHCNKKHSI-AWEZNQCLSA-N 318.421 2.488 0 40 DEAB CCc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)cc1 96199378 FSQMYCWRQBLAIU-INIZCTEOSA-N 300.406 2.085 0 40 DEAB O=C(C1CCC(F)(F)CC1)N1CCO[C@H](c2cnccn2)C1 257238196 HJYJZRFOHAZVRZ-ZDUSSCGKSA-N 311.332 2.202 0 40 DEAB c1ccc(NCC[C@H]2CCOC23CN(C2CCOCC2)C3)nc1 253596175 OCEVGJWYDWDWKF-HNNXBMFYSA-N 317.433 2.154 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1ccncn1 257217043 CXEQBMDAPGOABT-HNNXBMFYSA-N 300.362 2.378 0 40 DEAB O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2cnccn2)C1 257254890 KFDPWJGCLAIYCR-QGZVFWFLSA-N 320.352 2.239 0 40 DEAB CCN(C)Cc1cccc(CNC(=O)N2CC(C(C)(C)O)C2)c1 275407767 BWNXIICSCXPJES-UHFFFAOYSA-N 319.449 2.051 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3ccn(C)n3)C2)c1 585268851 AUXOOGWUYXFDAM-SFHVURJKSA-N 315.417 2.134 0 40 DEAB COC(=O)[C@@H](c1cccc(O)c1)N(C)CCc1ccncc1 585141738 ZPELMRWVKPGOSS-MRXNPFEDSA-N 300.358 2.176 0 40 DEAB Cc1cc(NC(=O)NCc2ccc(OC(C)C)nc2)n(C)n1 44944972 CESJVMJXMXRXOX-UHFFFAOYSA-N 303.366 2.232 0 40 DEAB CCCSCC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 55407219 OVZWBVYCTGWMHD-UHFFFAOYSA-N 322.430 2.241 0 40 DEAB C[C@@H](C(N)=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851302 ILOVBBJHOQBZRH-UFBFGSQYSA-N 303.189 2.241 0 40 DEAB Cc1ccc(N2CCCN(C(=O)Cc3cccs3)CC2)nn1 69491638 FVLVBSLSRMEFES-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](c3ccccc3)C2)c(=O)[nH]1 75123676 GVRBRRDEJXELTK-XJKSGUPXSA-N 312.369 2.286 0 40 DEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3C)cc2n1 12161181 CANYXXUZNCUGQX-ZKYQVNSYSA-N 314.389 2.453 0 40 DEAB O=C1NCC2(CCC(C(=O)O)CC2)Oc2ccc(Cl)cc21 19345901 HBXNGWLBPUHSMA-UHFFFAOYSA-N 309.749 2.476 0 40 DEAB CC[C@@H](c1nnnn1C1CCCCC1)N1CCN(CC)CC1 19500616 WOEXGRXAMDBOSN-HNNXBMFYSA-N 306.458 2.267 0 40 DEAB COC(=O)C1=C(C)NC(=O)N(C(C)=O)[C@H]1/C=C/c1ccccc1 5426648 QMAAYDSDFDBPRW-HBWSCVEGSA-N 314.341 2.087 0 40 DEAB O=C(NCc1ccc(Cl)cc1)c1cnc2sccn2c1=O 4121076 VGBOHVMBOJHSRT-UHFFFAOYSA-N 319.773 2.339 0 40 DEAB Cc1cc(OCC2CCN(Cc3nc(C)no3)CC2)ccn1 1775995114 CHUUDRIKNFAJGZ-UHFFFAOYSA-N 302.378 2.372 0 40 DEAB CCc1noc(C)c1C(=O)N1CC[C@@H](c2nc(C)cn2C)C1 2037677815 FHQUZDQHIMVLTR-GFCCVEGCSA-N 302.378 2.217 0 40 DEAB CC1CC(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccco2)C1 968352524 IDJFROZVGABURC-LLZFXZEUSA-N 302.374 2.141 0 40 DEAB CSc1nccc(N2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 2298172467 HHQRCOJJFVDSIC-NSHDSACASA-N 308.451 2.330 0 40 DEAB CCCC1=NN(C(=O)c2ccccn2)[C@@](O)(C(F)(F)F)C1 33392 VOPJKHASGVAGCC-LBPRGKRZSA-N 301.268 2.335 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H]2c2nnc3n2CCCCC3)on1 40510473 DGBCQRBTCJKGCN-GFCCVEGCSA-N 315.377 2.278 0 40 DEAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2N)cc1 2124156 IEAYARMRLNBUCH-UHFFFAOYSA-N 314.341 2.463 0 40 DEAB Cc1ccc(-c2nn(CCC(N)=O)c(=O)c3ccccc23)cc1 204024 FRZLJIPGWFTJKB-UHFFFAOYSA-N 307.353 2.247 0 40 DEAB CCCCCNC(=O)c1nn(-c2ccc(Cl)cc2)nc1CO 21172785 CYDLNXFFZPYZNM-UHFFFAOYSA-N 322.796 2.333 0 40 DEAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 32652538 YJMVNPZIVXZDMU-OIBJUYFYSA-N 322.233 2.360 0 40 DEAB O=C(NCC1(c2ccccc2)CC1)c1n[nH]c(=O)c2ccccc12 11749899 QLJLJQFJOPNYLA-UHFFFAOYSA-N 319.364 2.385 0 40 DEAB O=c1cc(CN2CCO[C@H](c3ccccc3)C2)nc2ccccn12 29535552 YRJRTKOKVTWQNE-KRWDZBQOSA-N 321.380 2.268 0 40 DEAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCCC[C@H]1C 69533019 KJYJCNYSHZATEV-NEPJUHHUSA-N 314.389 2.082 0 40 DEAB COc1ccc2ccccc2c1[S@@](=O)N1CCN(C)CC1 52530374 JZSOUIBBTHZPPB-NRFANRHFSA-N 304.415 2.118 0 40 DEAB O=C1[C@H](Nc2cccc3c2OCCO3)CCN1CC(F)(F)F 89774318 BRUBQSSRJJOREE-SNVBAGLBSA-N 316.279 2.033 0 40 DEAB COC[C@@H]1CN(c2nc3ccc(OC)cc3cc2C)CCO1 91620952 JBRISIOSQFMDTN-HNNXBMFYSA-N 302.374 2.403 0 40 DEAB CCOC[C@H]1CCC[C@]12CN(C(=O)c1ccc(C)nc1)CCO2 107194441 LVHHFKAAUKPFJF-AEFFLSMTSA-N 318.417 2.438 0 40 DEAB C[C@@H]1NC(=S)N(CCCc2nc3ccccc3s2)C1=O 24060609 WREQASDOHPEYCG-VIFPVBQESA-N 305.428 2.334 0 40 DEAB C[C@@H](NC(=O)NCCCn1ccnc1)c1nc2ccccc2[nH]1 54029444 ZCWVVMWAVZHJAP-GFCCVEGCSA-N 312.377 2.210 0 40 DEAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@@H]1CCCO1 42867836 KJHYLEDYUYOEBR-ZDUSSCGKSA-N 301.346 2.320 0 40 DEAB O=C(NCCc1cccs1)N[C@@H]1c2ccccc2C[C@@H]1O 57003614 KGTJNZBLFPXHEF-LSDHHAIUSA-N 302.399 2.248 0 40 DEAB CCn1ccnc1CN1CCN(CCc2cccs2)CC1 69778703 AHPOZVNUNSPRJP-UHFFFAOYSA-N 304.463 2.325 0 40 DEAB Cc1ccccc1[C@@H]1CCCN1C(=O)NCCN1CCOCC1 57449172 QVSBBIGCIYMIAE-KRWDZBQOSA-N 317.433 2.174 0 40 DEAB COC(=O)[C@@H](NC(=O)C(C)C)c1ccc(Br)cc1 58292006 BJOYWWHJDBNRHL-NSHDSACASA-N 314.179 2.435 0 40 DEAB CCC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793243 JSTWONIQYWUMJY-HNNXBMFYSA-N 309.841 2.155 0 40 DEAB COC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58358029 VFXLOAIFJBRIRP-ZFWWWQNUSA-N 308.397 2.189 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2ccoc2)c1C 10697401 GAKZGXBRMZMDQJ-UHFFFAOYSA-N 319.313 2.441 0 40 DEAB COCCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 12923464 UYOBSASKCJJNSR-UHFFFAOYSA-N 305.353 2.395 0 40 DEAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)N(C)O[C@@]1(O)C(F)(F)F 13395032 GLBJBXFOTOHOLE-NQBHXWOUSA-N 319.279 2.035 0 40 DEAB CC[C@@H]1CN(CCOc2cccc(F)c2)CCN1CCOC 69842212 PNBALUVCNSOFLG-MRXNPFEDSA-N 310.413 2.247 0 40 DEAB COC(=O)[C@@H](NC(=O)Cc1noc2ccccc12)c1ccccc1 64844599 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69667781 KOBCCIXLWGCROF-CJNGLKHVSA-N 322.359 2.144 0 40 DEAB C[C@H](Nc1ccc(NC(=O)NC2CC2)cc1)C(=O)N1CCCC1 42667127 FKKGRYKHNORFIU-LBPRGKRZSA-N 316.405 2.393 0 40 DEAB O=C1CC[C@@H](C(=O)NC2c3ccccc3Oc3ccccc32)N1 69776487 DIHXNUMRFJWYJX-ZDUSSCGKSA-N 308.337 2.277 0 40 DEAB CNC(=O)c1cc(OC)ccc1NC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106644722 BVVRMSYEBRUJEO-GMXVVIOVSA-N 302.374 2.430 0 40 DEAB Cc1oc(C)c(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1C 25393934 UDXOANSQMOIVOX-HNNXBMFYSA-N 308.422 2.291 0 40 DEAB C[C@@H](NC(=O)CSCC(N)=O)c1ccccc1C(F)(F)F 56997169 UVTOFBRWUKZSLS-MRVPVSSYSA-N 320.336 2.101 0 40 DEAB C[C@H](CC[C@@H]1CCCO1)NC(=O)N(C)[C@H]1CCN(C)C[C@H]1C 108099857 DGNGTOLYHVFCMW-WCVJEAGWSA-N 311.470 2.316 0 40 DEAB O=C1OC[C@@H]2[C@@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1 22056825 FGFSEMWCZBVRHG-SJORKVTESA-N 322.364 2.418 0 40 DEAB Cn1ccnc1[C@](O)(CCN[C@@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 108371093 SNYKCPAXFSWEMW-CIQGVGRVSA-N 317.355 2.338 0 40 DEAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@H]1Cn1cccn1 69770200 BEQRQLDAMSJSCW-INIZCTEOSA-N 321.384 2.374 0 40 DEAB O[C@@H](CNc1ncnc2c1cnn2-c1ccccc1)C(F)(F)F 44406982 GKILOIXGSZJZKQ-NSHDSACASA-N 323.278 2.151 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)N[C@@H]1CCOc2ccccc21 47865813 TTYMXIUJFTUULZ-TZMCWYRMSA-N 300.362 2.095 0 40 DEAB COC(=O)c1ccc(OC)cc1OCC(=O)N1CCCCCC1 44866011 PHKLLCNBWLFKCS-UHFFFAOYSA-N 321.373 2.263 0 40 DEAB O=C(Cc1ccccc1C(=O)O)Nc1ccc2oc(O)nc2c1 44980322 PAKNFEBILGZPRH-UHFFFAOYSA-N 312.281 2.413 0 40 DEAB CCN1CC(=O)N(CCCCOCCc2ccccc2)C1=O 58304765 CVZNJFLLKZPBNM-UHFFFAOYSA-N 304.390 2.310 0 40 DEAB COc1ccc([C@@H](C)NC(=O)NCCCn2cccn2)cc1F 48177026 FLLJFKKOCSCWHE-GFCCVEGCSA-N 320.368 2.481 0 40 DEAB Cc1ccc(N2CCN(Cc3cc(=O)c(O)co3)CC2)c(C)c1 36357320 CRCJBOJTHWKUDW-UHFFFAOYSA-N 314.385 2.284 0 40 DEAB O=C(NCc1cc[nH]n1)NC[C@H](c1cccs1)N1CCCC1 48248212 STHMSLYIAFJFHI-CYBMUJFWSA-N 319.434 2.108 0 40 DEAB Clc1ccccc1OCCN1CCN(c2ncccn2)CC1 48366581 ZEHMYCVQQIMQBN-UHFFFAOYSA-N 318.808 2.331 0 40 DEAB CCCCc1c(C)nc2nc(S[C@H]3CCOC3=O)nn2c1C 48363538 SYPYZJZDOGFSJU-LBPRGKRZSA-N 320.418 2.491 0 40 DEAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCCCO)[C@H]3C=C12 12866630 WZTMASUKMOOXHW-PVUDFCJISA-N 307.434 2.273 0 40 DEAB biogenic CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@@H]1CCN(C2CC2)C1 63114628 HFYAMMSKDROSFJ-CYBMUJFWSA-N 316.449 2.482 0 40 DEAB O=C(O)[C@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 70555915 XGCLMQMCYYZKIP-GXSJLCMTSA-N 317.794 2.262 0 40 DEAB COc1cc2ccccc2cc1C(=O)NCC(=O)NC(C)C 8165649 XCJLVOGTPIVRJR-UHFFFAOYSA-N 300.358 2.103 0 40 DEAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@H](C)n2cncn2)C1 69947729 BHMWNJZBZIAZTG-KBPBESRZSA-N 316.409 2.023 0 40 DEAB C[C@@H](C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)n1cncn1 65505001 USSFBGNSJBFEHW-FZMZJTMJSA-N 320.780 2.093 0 40 DEAB CC(=O)Nc1cc(C(=O)CSc2ncccn2)ccc1O 8327382 OFHQYIZTXGXAEF-UHFFFAOYSA-N 303.343 2.116 0 40 DEAB Cc1ccc(C)c([C@@H](C)NCC(=O)NC(=O)NCC(C)C)c1 14250040 MECNFIULPMZUJR-CQSZACIVSA-N 305.422 2.436 0 40 DEAB CC(=O)NC(C)(C)c1noc([C@H](C)Cc2c(C)nn(C)c2C)n1 174850477 LKFIUAGCEYGNKQ-SECBINFHSA-N 319.409 2.137 0 40 DEAB CCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)OC)c1 4710796 OGGLORLMWBHPOF-UHFFFAOYSA-N 320.389 2.439 0 40 DEAB CN(C)C(=O)[C@@H]1CCCN1Cc1cc(Cl)nc(Cl)c1 66411714 UPFHRQGACQSZPV-JTQLQIEISA-N 302.205 2.441 0 40 DEAB C[C@H](Cc1c(F)cccc1F)NC(=O)NCCc1cnn(C)c1 69416698 CNIXMFZPFPMDKV-LLVKDONJSA-N 322.359 2.171 0 40 DEAB CC(C)NC(=O)CCCC(=O)Oc1ccc2c(c1)OCCO2 71913737 NPRVEBDDQQPNRL-UHFFFAOYSA-N 307.346 2.058 0 40 DEAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)Cn2cccn2)C1 71910074 KUAIXYHVAAFOSR-OAHLLOKOSA-N 316.380 2.116 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 9750053 UILFAXPRUIQDEZ-NXEZZACHSA-N 308.378 2.058 0 40 DEAB C[C@H](NC(=O)CCC(=O)NCc1ccccn1)c1ccccc1 9554151 GKJACLPGPDTWEH-AWEZNQCLSA-N 311.385 2.355 0 40 DEAB COC(=O)c1cccc(CNC(=O)NCc2ccoc2C)c1 84044205 XHYLTQQAOJCYIY-UHFFFAOYSA-N 302.330 2.374 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)on1 71893710 VHLOHUZBRAQBLV-NSHDSACASA-N 319.748 2.172 0 40 DEAB Cc1cc([C@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n[nH]1 84110813 CFDSCGFUXDPHMX-STQMWFEESA-N 317.393 2.221 0 40 DEAB CN(C)CCn1ccc(NC(=O)N[C@@H]2CCc3ccccc32)n1 76081875 HRGAYPHTCZZDNG-OAHLLOKOSA-N 313.405 2.254 0 40 DEAB Cc1cc(CN2CCCN(Cc3noc(C(C)C)n3)CC2)no1 72278798 ICOXYQGSDLLISY-UHFFFAOYSA-N 319.409 2.197 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N(c2cnn(C)c2)C(C)C)c1 97011748 UULJRQSYLFUQQK-UHFFFAOYSA-N 311.382 2.471 0 40 DEAB C[C@H](Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)C(N)=O 97085775 RCHMJXFYWACVIG-ZDUSSCGKSA-N 321.384 2.279 0 40 DEAB CCCN(C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)C1CC1 97108145 KVMYGIUJDYHNJH-HNNXBMFYSA-N 316.405 2.161 0 40 DEAB COCCOc1ccccc1C(=O)NCCCCCC(=O)O 95424984 SBRZCHNPKPRFJI-UHFFFAOYSA-N 309.362 2.087 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccccc1F 95451998 RSKHJPGOFCJUEO-CQSZACIVSA-N 303.337 2.379 0 40 DEAB C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1)S(C)(=O)=O 95958951 MVMBPYWVLSERHT-BPLDGKMQSA-N 309.431 2.262 0 40 DEAB C[C@@H]1CCOCCN1c1ncnc2c1cnn2-c1ccccc1 89269413 TUADLGKHTSCYBG-CYBMUJFWSA-N 309.373 2.431 0 40 DEAB COCc1ccccc1CNC(=O)CN1C[C@@H]2CCC[C@H]2C1 89420374 MXSHHHBHGFHSSG-HOTGVXAUSA-N 302.418 2.181 0 40 DEAB CCN(Cc1ccc(Br)c(F)c1)S(C)(=O)=O 75093955 WUAVWDQOXSZDRI-UHFFFAOYSA-N 310.188 2.370 0 40 DEAB C[C@H](C(=O)O)N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 89598249 UFIPULYSSDYCHO-MRVPVSSYSA-N 305.252 2.059 0 40 DEAB Cc1cccc(-c2ccc(C(=O)NC[C@@H]3CCCO3)c(=O)[nH]2)c1 75117418 YHKITVQPPKKASG-AWEZNQCLSA-N 312.369 2.259 0 40 DEAB NS(=O)(=O)CCSc1nc2cc(Cl)ccc2s1 75141110 UVQKVCWBACCPCE-UHFFFAOYSA-N 308.837 2.330 0 40 DEAB Cc1cccc(O[C@H](C)C(=O)NC[C@H](O)c2ccncc2)c1 89672904 RQFGLQSNSBDANZ-CJNGLKHVSA-N 300.358 2.007 0 40 DEAB COCc1ncc(C(=O)Nc2nc(CC3CC3)ns2)s1 1548451834 JRLLDBXUUOTWEH-UHFFFAOYSA-N 310.404 2.346 0 40 DEAB COc1ccc(-c2nc3ccc(NC(=O)CN)cn3c2C)cc1 31958871 VVOYIWHMFXANSR-UHFFFAOYSA-N 310.357 2.216 0 40 DEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2)C1=O 409094338 DMDPHSMZLHBUBJ-KWINOFQJSA-N 321.354 2.293 0 40 DEAB Cc1ccn(-c2ccc(NC[C@H](O)C3CCCCC3)nn2)n1 77963671 ZXHKCYSQWSMUKT-AWEZNQCLSA-N 301.394 2.324 0 40 DEAB O=c1[nH]ncc(N2CCc3[nH]c4ccccc4c3C2)c1Cl 32869713 WKCZVKLNBRDJTE-UHFFFAOYSA-N 300.749 2.467 0 40 DEAB CC(C)(C)OC(=O)N(C[C@@H]1CCCN(CC(=O)O)C1)C1CC1 79410804 NRUBRRUGRAQJCN-GFCCVEGCSA-N 312.410 2.183 0 40 DEAB COC[C@H](NCC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(C)o1 184757943 ZWGYBQDBANMEHY-YDHLFZDLSA-N 308.422 2.370 0 40 DEAB Cc1ccc(F)c(-c2cc(NS(=O)(=O)c3cn[nH]c3)[nH]n2)c1 188536037 XNDPEKWXBGFYSM-UHFFFAOYSA-N 321.337 2.048 0 40 DEAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CSCC(N)=O 79320816 HODCOSNHWJCRCT-CABCVRRESA-N 320.458 2.390 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)COc3ccccc3)CCO2)nc1 72388144 ALWYTPYGZHVMDZ-QGZVFWFLSA-N 312.369 2.369 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N2CC[C@H](C)C[C@H]2C)c1 77585739 CIRVORKWEYCXPB-UONOGXRCSA-N 317.433 2.419 0 40 DEAB COc1ccc([C@H]2[C@@H](C(=O)N3CCCC3)CCC(=O)N2C)cc1 72242097 DZNCUWVUJATMJR-RDJZCZTQSA-N 316.401 2.227 0 40 DEAB CC(C)N(CC(=O)O)CC1CCN(C(=O)OC(C)(C)C)CC1 79392408 GRGPDOZHVXMGIF-UHFFFAOYSA-N 314.426 2.429 0 40 DEAB C[C@H]1NC(=S)N([C@H](c2ccc3c(c2)OCCO3)C2CC2)C1=O 79925312 FZFNBIDNRGGQCK-OTYXRUKQSA-N 318.398 2.014 0 40 DEAB CN(C)CCNC(=O)C1CCN(CCCc2ccccc2)CC1 195519226 LKOSBPJQIXITJJ-UHFFFAOYSA-N 317.477 2.009 0 40 DEAB COc1ccc(OC)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c1 42646633 KFCSBKHWCBAZIV-DGCLKSJQSA-N 320.389 2.337 0 40 DEAB O=C(Cc1cc(F)ccc1F)Nc1cnc2c(c1)CNCC2 195549181 WDYPEAFVABULKY-UHFFFAOYSA-N 303.312 2.187 0 40 DEAB C[C@@](O)(CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccco1 75156235 WJEBQEWZLKOZIP-QQOXCAACSA-N 315.325 2.045 0 40 DEAB CC(C)NC(=O)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225485180 YIQBEVYKGTYVDJ-ZDUSSCGKSA-N 321.352 2.475 0 40 DEAB biogenic,in-vitro CC(C)(C)OC(=O)NC1(c2noc(Cn3ccnc3)n2)CCC1 195569983 UJRJEOTXZMBORZ-UHFFFAOYSA-N 319.365 2.218 0 40 DEAB O=C(c1ccc[nH]1)N1CCc2onc(COc3cccnc3)c2C1 96260026 NVNWPTLLVJKQGG-UHFFFAOYSA-N 324.340 2.175 0 40 DEAB CC(C)CN1CCC[C@@]2(CCN(C(=O)c3cnccn3)C2)C1 96215278 ACQGVSWHJDFGLM-QGZVFWFLSA-N 302.422 2.061 0 40 DEAB CONC(=O)c1nn(-c2ccc(F)cc2)cc1Br 96410020 QWZGXKWKBVNHNA-UHFFFAOYSA-N 314.114 2.065 0 40 DEAB Cc1ccc(CCNC(=O)N[C@H](C)Cc2c(C)noc2C)cn1 96415503 PMIIBOHHLMFOAH-GFCCVEGCSA-N 316.405 2.468 0 40 DEAB c1cnc(N2CCC[C@]3(CCN(Cc4cccnc4)C3)C2)nc1 96047157 ABFYUKILRKSJIT-GOSISDBHSA-N 309.417 2.364 0 40 DEAB CCCN1CC[C@H]2[C@H](C[C@@H](CN(C)C)N2c2nccs2)C1 96185582 ZXYXDPSFCBJEQV-ILXRZTDVSA-N 308.495 2.384 0 40 DEAB O=C(NCC1CC1)[C@H]1CCC2(CCN(Cc3ccoc3)CC2)O1 96061162 OINLAZYPIMNDMQ-MRXNPFEDSA-N 318.417 2.319 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC2)CCN(CC2CC2)C3=O)o1 96071160 NOEPIEIOZKUGLF-UHFFFAOYSA-N 316.401 2.453 0 40 DEAB O=C(NCc1nccc(N2CCCC2)n1)c1ccccc1F 96120748 LXMKKFKLXVLJQT-UHFFFAOYSA-N 300.337 2.146 0 40 DEAB Cn1c(N2CCC[C@@H]2C(=O)NCc2ccco2)nc2ccccc21 97104418 CUCFRPTZTJYVNL-MRXNPFEDSA-N 324.384 2.452 0 40 DEAB Cc1ncsc1CNC(=O)NCc1nccn1CC(C)C 96439848 LKKHZQQUZVIBQS-UHFFFAOYSA-N 307.423 2.303 0 40 DEAB CC[C@@H](NC(=O)C1CC1)[C@@H]1CN(Cc2ccccc2)CCO1 96473760 CKSYGRLVRLSPFH-SJORKVTESA-N 302.418 2.192 0 40 DEAB O=C1CCCN1C[C@H](NC[C@@H]1CCCOC1)c1ccccc1 97230633 NDNDPYLPTZCMGM-RDJZCZTQSA-N 302.418 2.366 0 40 DEAB c1ccc(O[C@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@H]23)nc1 96187181 KVNGBULLWZARIV-WWGRRREGSA-N 317.414 2.349 0 40 DEAB O=C1NC2(CCN(Cc3cccc(F)c3)CC2)N2CCCC[C@H]12 96429876 YIPBUCAJKIYBKW-MRXNPFEDSA-N 317.408 2.102 0 40 DEAB c1ccc(-c2n[nH]cc2CN2CCOC[C@H]2c2ccn[nH]2)cc1 257275911 NRMHGMVULRTFDJ-INIZCTEOSA-N 309.373 2.373 0 40 DEAB CC(C)n1ccnc1CN1CCO[C@@H](c2cccc(N)n2)C1 257228701 FUWXMMGBKWOCEX-CQSZACIVSA-N 301.394 2.015 0 40 DEAB COCCN1CCC(NC(=O)CCCc2ccccc2)CC1 85467994 XDMIKIDKWQUYSC-UHFFFAOYSA-N 304.434 2.236 0 40 DEAB O=C(Nc1ccc(F)cn1)c1ccnc(C2CCNCC2)c1 72365684 JCTHFQFARNTAJN-UHFFFAOYSA-N 300.337 2.335 0 40 DEAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1nncs1 96482965 DGKSUMHODIDZQV-UHFFFAOYSA-N 323.321 2.499 0 40 DEAB CS(=O)(=O)Cc1ccc(NC(=O)c2cscn2)cc1F 79104898 JXJXIWVMJMEHRY-UHFFFAOYSA-N 314.363 2.079 0 40 DEAB O=C(N[C@@H](CO)c1ccccc1)c1ccncc1Br 97233059 NBWMGDYAWVVEEC-ZDUSSCGKSA-N 321.174 2.308 0 40 DEAB CCN(CC)C(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C 5001221 AKWBFUIYQCSBSI-NSHDSACASA-N 319.430 2.283 0 40 DEAB CC(C)(CNC(=O)c1cc2c(s1)CCCC2)N1CCOCC1 14119337 QYGIHBMWIILFNY-UHFFFAOYSA-N 322.474 2.468 0 40 DEAB CCCCCNC(=O)CN(CC)S(=O)(=O)c1ccccc1 16638512 RONZVMFPLWKPNT-UHFFFAOYSA-N 312.435 2.004 0 40 DEAB O=C(C1CCCC1)N1CCc2nc([C@@H]3CCCNC3)ncc2C1 19292361 KLVULISELMEJET-CQSZACIVSA-N 314.433 2.019 0 40 DEAB Cn1cc(NC(=O)[C@@H]2CCN(C(=O)CCC3CCCC3)C2)cn1 19748059 LHGYEQJWHWTDMN-CQSZACIVSA-N 318.421 2.178 0 40 DEAB Cc1cccc(CSc2nnc(CN3CCOCC3)n2C)c1 19799010 KMJBXZWLOHULME-UHFFFAOYSA-N 318.446 2.248 0 40 DEAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169303486 XVVWNLCXRSGHSB-UZGDPCLZSA-N 305.761 2.479 0 40 DEAB CC(=O)N1CCC(c2ccnc(Nc3nccs3)n2)CC1 643551180 ZORIDTCMBSCPJS-UHFFFAOYSA-N 303.391 2.403 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)C1=NN(C)C(=O)CC1 13006616 VCOIXWQFQLEKHR-UHFFFAOYSA-N 309.753 2.204 0 40 DEAB CN(C)[C@H]1COC2(CCN(C(=O)[C@@]3(C)CC=CCC3)CC2)C1 1565555902 RRZGIXVQYXOTAL-WBVHZDCISA-N 306.450 2.445 0 40 DEAB O=C(c1ccsc1)N1CC[C@H]2CN(Cc3ccncc3)C[C@@H]21 1565542061 HTXDZUJQITYZIJ-HOCLYGCPSA-N 313.426 2.490 0 40 DEAB COc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1 353823 NKAPTSJWRDHAHI-UHFFFAOYSA-N 310.309 2.454 0 40 DEAB O=C(NCCc1ccccc1)C(=O)NCc1ccccc1Cl 10327129 YGBWSSAWHKOWIB-UHFFFAOYSA-N 316.788 2.315 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2)C1 40160580 VHPWCTZVIXHPLO-QWHCGFSZSA-N 323.364 2.395 0 40 DEAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)O 20268650 JZVGDNZDPVALJB-UHFFFAOYSA-N 304.371 2.388 0 40 DEAB CCc1cccc(N2C[C@@H](C(=O)Nc3nncs3)CC2=O)c1 40496265 IARPRMFQMNHYQN-NSHDSACASA-N 316.386 2.092 0 40 DEAB Cc1nccn1C[C@H](O)COc1ccc(Br)cc1 72681 POGJSQPSIHEGHR-LBPRGKRZSA-N 311.179 2.394 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(Cc3nc(CC(C)C)no3)[C@@H]2C1 108132650 ZVKHKHCQRRNFLC-MGPQQGTHSA-N 309.410 2.036 0 40 DEAB Cc1cccc(-c2noc(CN3CCC[C@H]3Cn3cncn3)n2)c1 69512606 YRXRSYVSVLINDT-HNNXBMFYSA-N 324.388 2.301 0 40 DEAB CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CC(C)C)C(=O)[C@H]13)O2 2441028 JLQVNGXUFJICMN-LDDOYCOJSA-N 321.417 2.158 0 40 DEAB CCOC(=O)Nc1cc(Cl)c2nnn(C(=O)OCC)c2n1 1765142 DXTTXJRQPPKNIK-UHFFFAOYSA-N 313.701 2.053 0 40 DEAB CC(C)N(CC(=O)Nc1nncs1)C[C@H]1C[C@H]2C=C[C@H]1C2 101089914 YNVGVBSJVJVMRU-RWMBFGLXSA-N 306.435 2.399 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(SC)cc1 69597065 GSEQWTQLFJLCIR-UONOGXRCSA-N 323.414 2.308 0 40 DEAB CN1CCO[C@@H](CNCc2cc(F)ccc2Br)C1 69565103 QXZMVMFLTPWMMA-LBPRGKRZSA-N 317.202 2.008 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 8195879 FAVOIRIHAIMOBN-HIFRSBDPSA-N 324.446 2.063 0 40 DEAB Cn1cc(C(=O)N2CCC2)c(-c2ccc3c(c2)OCCCO3)n1 32780927 VULJKSSEVMHACI-UHFFFAOYSA-N 313.357 2.094 0 40 DEAB Cc1cc(I)ccc1N[C@H]1CCOC1=O 7813717 VDRBWZSMNIGPJQ-JTQLQIEISA-N 317.126 2.327 0 40 DEAB c1ccc(-c2cn3nc(NC[C@H]4COCCO4)sc3n2)cc1 52490313 XUNZLBIVXQMVLN-LBPRGKRZSA-N 316.386 2.285 0 40 DEAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccccn1 32819164 VAOPUZMDVJKMGT-UHFFFAOYSA-N 320.308 2.176 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100179713 HONQEFYUORJRCP-KWRZAIAESA-N 307.349 2.447 0 40 DEAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2sccc2C(N)=O)C1 104026040 LPKRZLVDIHWHMX-GMTAPVOTSA-N 309.435 2.152 0 40 DEAB Cc1cccc(C(=O)N2CCC[C@@]3(CCN(C)C3=O)CC2)c1 108534980 FMOKTMTXEPNMJW-GOSISDBHSA-N 300.402 2.470 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)n1 54120615 MIDJNKQOKPTIKV-CQSZACIVSA-N 300.362 2.112 0 40 DEAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3=O)cc2)cn1 23103152 OMJMEWDFRAEZMS-UHFFFAOYSA-N 309.369 2.447 0 40 DEAB CC[C@@H](Sc1nncn1-c1ccccc1OC)C(=O)OC 12515317 PWPFVOYGNZVPRP-GFCCVEGCSA-N 307.375 2.320 0 40 DEAB O=C(COC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)OCO2 12549772 RHFUIZRVOOZZDA-UHFFFAOYSA-N 324.292 2.331 0 40 DEAB Cc1ccc(CNC(=O)NC[C@](C)(O)c2cc(C)oc2C)cn1 76085408 ZCYZUBLKBLGBIK-KRWDZBQOSA-N 317.389 2.307 0 40 DEAB NC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 48088551 KVNVNMURCCNSJA-QMMMGPOBSA-N 301.173 2.331 0 40 DEAB CCOc1ncccc1C(=O)N1CCN(Cc2ccco2)CC1 44891826 JJZWNJQHGFPANE-UHFFFAOYSA-N 315.373 2.031 0 40 DEAB Cc1[nH]c2ccc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cc2c1C 44873174 CPSHRELOGVCLPO-CYBMUJFWSA-N 320.414 2.044 0 40 DEAB CCc1cc2c(NC[C@@H]3CCS(=O)(=O)C3)ncnc2s1 36397989 XVEBGJQOSBNKGQ-VIFPVBQESA-N 311.432 2.100 0 40 DEAB CCOc1ccc([C@@H](C)NC(=O)NCc2cc[nH]n2)cc1OC 48261683 ZALDBKKTTIQWSX-LLVKDONJSA-N 318.377 2.377 0 40 DEAB NC(=O)CN(Cc1ccc2c(c1)OCCO2)Cc1cccs1 48276093 OJBKDTHERLUCOG-UHFFFAOYSA-N 318.398 2.007 0 40 DEAB CCc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1 8105276 JTTYMYTYLCQJAP-UHFFFAOYSA-N 304.371 2.149 0 40 DEAB CN(CCn1cccn1)C(=O)c1cc(Cl)c2c(c1)OCCO2 69625257 RFZLIRDMKJZKHW-UHFFFAOYSA-N 321.764 2.080 0 40 DEAB Cc1ccsc1CN(C)CCN1C(=O)NC2(CCCC2)C1=O 70020523 GMERZTXYYUGRHM-UHFFFAOYSA-N 321.446 2.353 0 40 DEAB Cc1cc(C)n(Cc2cccc(C(=O)NC[C@H](C)N(C)C)c2)n1 69625935 STNAWTSOGSIPHM-HNNXBMFYSA-N 314.433 2.228 0 40 DEAB O=C(O)CCNC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1 13692438 QIYOFGUNNLFVKO-UHFFFAOYSA-N 321.764 2.364 0 40 DEAB biogenic Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)N)C1 70173713 FEUFKWJYMJFMGK-NEPJUHHUSA-N 316.854 2.396 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H](n2cccn2)C1 69432233 QAJWQQZOGNDSHY-CYBMUJFWSA-N 307.357 2.304 0 40 DEAB CCOc1ccc(OC[C@H](O)CN2CCCC[C@@H]2CCO)cc1 6111146 VSONKLRWXJMQQO-HZPDHXFCSA-N 323.433 2.062 0 40 DEAB CN1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cn2)CC1 14109653 WDSZCOONHJTQRD-AWEZNQCLSA-N 300.406 2.128 0 40 DEAB Cc1csc(=O)n1CC(=O)NCCc1c[nH]c2ccccc12 14200648 IDCCKZGGOZVAMZ-UHFFFAOYSA-N 315.398 2.058 0 40 DEAB Cc1cc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c(C)o1 14247055 FXNHBOJGALNZJC-UHFFFAOYSA-N 308.359 2.105 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c(C)c1 4649204 FSHYRXIJLCRZCS-VZAMPYOESA-N 311.337 2.232 0 40 DEAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2cc(O)ccc12 8764960 RWBQOTFFHZCOOH-UHFFFAOYSA-N 316.338 2.445 0 40 DEAB biogenic CC[C@H](CO)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1C 6626798 FHSOQWBPQITTJV-HZPDHXFCSA-N 309.450 2.393 0 40 DEAB Cc1ccc(CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 8780129 VZEJZTJWXIHDFA-UHFFFAOYSA-N 302.399 2.205 0 40 DEAB OCc1ccc(-c2nccn2C[C@H]2COc3ccccc3O2)o1 71388656 BFTHCSHKIDLRJY-ZDUSSCGKSA-N 312.325 2.475 0 40 DEAB O=S(=O)(Nc1nc(-c2ccncc2)ns1)c1cccs1 96009604 SVKLJECMBHYTRP-UHFFFAOYSA-N 324.412 2.462 0 40 DEAB O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cccs1 96007300 QHKQITGTWGFRIX-UHFFFAOYSA-N 306.372 2.130 0 40 DEAB c1ccc(CN2CCC[C@@H]2[C@@H]2CCCN2CC2OCCO2)cc1 96495490 CCGSCZDECCVOGO-MSOLQXFVSA-N 316.445 2.488 0 40 DEAB O=c1[nH]c(CSC2=N[C@@H]3CCCC[C@H]3N2)nc2ccsc12 9548191 XKQQVHWELOCCTL-RKDXNWHRSA-N 320.443 2.488 0 40 DEAB O=C(NC[C@H](O)COCc1ccccc1)c1ccc2[nH]ccc2c1 71886685 HTUNDJAVGCTYHU-KRWDZBQOSA-N 324.380 2.475 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)no1 71841341 PCZMTIGLLSHKPJ-NFAWXSAZSA-N 300.362 2.184 0 40 DEAB Cc1n[nH]c(C)c1CNc1ccc2nnc(C(F)(F)F)n2n1 97160206 YNEDUPPKZWOUHS-UHFFFAOYSA-N 311.271 2.095 0 40 DEAB Cc1ccc(OC[C@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 97202644 TXMMATJBGSVBDC-QGZVFWFLSA-N 315.417 2.337 0 40 DEAB Cc1ccc(CNC(=O)CN(CCO)C2CCCCC2)s1 95395102 HWHTYLZALMAKBZ-UHFFFAOYSA-N 310.463 2.300 0 40 DEAB C[C@H](Cc1cccc(Cl)c1)NC(=O)C(C)(C)S(C)(=O)=O 95396303 BMRGIGMFQPRUPB-SNVBAGLBSA-N 317.838 2.210 0 40 DEAB NC(=O)c1cccc(CSCCC(=O)NC2CCCC2)c1 95351477 GGQXPBHTSRMNQV-UHFFFAOYSA-N 306.431 2.468 0 40 DEAB Cc1ccnc(N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)n1 95426340 UDLFQKDSJAFWQY-SJORKVTESA-N 312.417 2.080 0 40 DEAB COC(=O)C[C@H](c1ccc(F)cc1)c1oc(C)cc(=O)c1O 95475568 QSLRNMQKDUDRRV-GFCCVEGCSA-N 306.289 2.488 0 40 DEAB COC[C@H]1CCCN1S(=O)(=O)c1cccc2ncccc12 95407485 DCDJWBWGPPDVSZ-GFCCVEGCSA-N 306.387 2.034 0 40 DEAB O=C(Nc1ccc2nncn2c1)c1c(Cl)nc2ccccn12 95458514 QOYSZMROBLJGFU-UHFFFAOYSA-N 312.720 2.283 0 40 DEAB CCCCCN(CCO)C(=O)COc1ccc(OCC)cc1 95441450 JLVDYUVWUAKNGY-UHFFFAOYSA-N 309.406 2.475 0 40 DEAB C[C@@H]1C[C@H](C(=O)NCCN2c3ccccc3C[C@H]2C)CCO1 95988965 AHJRAVABEZNNIK-IIAWOOMASA-N 302.418 2.369 0 40 DEAB COc1cc(-c2nnn[nH]2)ccc1OCc1c(C)noc1C 95956784 SYAVRAATPKVQCN-UHFFFAOYSA-N 301.306 2.059 0 40 DEAB Cn1cc(CCNC(=O)Nc2nccc3sccc23)cn1 95943820 KMCNVVPOSYCFRB-UHFFFAOYSA-N 301.375 2.394 0 40 DEAB CC(C)[C@@H](NCC(=O)OC(C)(C)C)c1nnc2ccccn12 95995952 CWZXVLKGCRKPAX-CQSZACIVSA-N 304.394 2.358 0 40 DEAB Cc1nnc2n1C[C@@H](NC(=O)Nc1ccc(F)c(F)c1)CC2 95999021 MBECIZUFGIKLNI-JTQLQIEISA-N 307.304 2.001 0 40 DEAB C[C@H](NCCC1(C)OCCO1)c1ccc(N2CCOC2=O)cc1 95940598 SCCHBNUXQZBTQY-ZDUSSCGKSA-N 320.389 2.447 0 40 DEAB C[C@@H](OCC1CC1)C(=O)N(C[C@H]1CCCO1)c1ccncc1 75138516 FIVBXUTVXOLLHN-CZUORRHYSA-N 304.390 2.409 0 40 DEAB CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3ccc(C)cc32)N2CCC[C@H]12 55243669 OADUTSIQQFOQFS-DWQUBVKVSA-N 314.385 2.190 0 40 DEAB O=C(NCc1cc[nH]n1)N1CCC(Oc2cccc(F)c2)CC1 527797439 NCMWZLGSNJUIRF-UHFFFAOYSA-N 318.352 2.302 0 40 DEAB CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cc(C)no1 72324389 SVQBNHSDCSWSMP-LLVKDONJSA-N 315.329 2.100 0 40 DEAB O=C(NCC1(O)CCOCC1)Nc1ccccc1C(F)(F)F 70639087 RELBYNGPFHUXRF-UHFFFAOYSA-N 318.295 2.368 0 40 DEAB CC(C)Oc1ccc(NC(=O)N[C@@H](C)Cn2cncn2)c(F)c1 79028720 LBDMLWWLPMOSRX-NSHDSACASA-N 321.356 2.415 0 40 DEAB Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)o1 72243333 JPAKBAHIPZQABG-CQSZACIVSA-N 319.382 2.172 0 40 DEAB Cc1nnc(CSc2n[nH]c(Cc3ccccc3)n2)n1C 194606816 PAZPUOFZBAXMLT-UHFFFAOYSA-N 300.391 2.125 0 40 DEAB NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2ncccc12 195544585 CKEYSRDNGGDIRU-JSGCOSHPSA-N 319.430 2.031 0 40 DEAB O=C(NCC1CCN(Cc2ccccc2F)CC1)C1(O)CCC1 195567416 JNINZLMXDNKROT-UHFFFAOYSA-N 320.408 2.069 0 40 DEAB C[Sn](C)(C)c1cc(Br)ccn1 199686570 VLXFOQUUZYANMH-UHFFFAOYSA-N 320.806 2.389 0 40 DEAB c1cc(-c2nnc([C@H]3CCN(C4CCOCC4)C3)o2)ccn1 49169613 YQTVRHQUCFBPGX-ZDUSSCGKSA-N 300.362 2.100 0 40 DEAB biogenic,in-vitro CC(C)n1cc(S(=O)(=O)N2CCC[C@H]2C(F)(F)F)cn1 528505201 AAXAZWUQIFGZAD-JTQLQIEISA-N 311.329 2.179 0 40 DEAB COCC[C@H]1CO[C@]2(CCN(C(=O)c3ccc(C)nc3)C2)C1 96218289 VGKULLIMIIEWFC-RHSMWYFYSA-N 304.390 2.048 0 40 DEAB Nc1ccc(S(=O)(=O)NCCCc2cccc(F)c2)cc1 97375638 RMBSXHGTCKUROR-UHFFFAOYSA-N 308.378 2.319 0 40 DEAB COc1cc(-c2nc([C@@H](N)C(C)C)n[nH]2)cc(OC)c1OC 95534708 XTJOIVYRTHGUNU-LBPRGKRZSA-N 306.366 2.153 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)c2cccc(N(C)C)c2)o1 96440249 AFULKRIJHPJWMJ-QGZVFWFLSA-N 302.374 2.292 0 40 DEAB CC(C)C(=O)N1CCCC[C@@]12CC(=O)N(c1cccnc1)C2 96071726 IRUCTPQBNLOHNA-KRWDZBQOSA-N 301.390 2.226 0 40 DEAB COC(=O)CCCN1CCC(NC(=O)CC2CCCCC2)CC1 96409566 AHHDVQMXTXSOKS-UHFFFAOYSA-N 324.465 2.491 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cnc2ccccc2c1 97953689 CDIBHQUUOVPLMC-GVDBMIGSSA-N 312.369 2.253 0 40 DEAB O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@@H]1[C@@H]1CCNC1 333892050 YIVHMVRSWHUMRZ-QMTHXVAHSA-N 310.344 2.275 0 40 DEAB O=C1C[C@@]2(CCN(C3CCOCC3)C2)CN1c1ccsc1 96239276 KOGZOOGIGUWUTK-MRXNPFEDSA-N 306.431 2.356 0 40 DEAB C[C@@](O)(CNC(=O)Cc1n[nH]c2ccccc12)c1ccsc1 96450399 OJGWGCASSFPZQK-MRXNPFEDSA-N 315.398 2.191 0 40 DEAB O=C(c1cscn1)N1C[C@H]2CN(Cc3cccs3)C[C@@H]2C1 96053924 IJLOLRJWONVDFE-VXGBXAGGSA-N 319.455 2.409 0 40 DEAB CN(C)C(=O)c1cccc(CCNC(=O)[C@H]2CC=CCC2)c1 96423172 SCAKAYILIOAEKH-HNNXBMFYSA-N 300.402 2.403 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1cnccn1 257343280 ZSGMCZUQRWYHGP-OAHLLOKOSA-N 300.362 2.378 0 40 DEAB O=C(Nc1ccc(F)cc1)c1cncnc1CC1CCNCC1 257304660 SMOQMDOEXJXOFL-UHFFFAOYSA-N 314.364 2.410 0 40 DEAB O=C(Cc1cccs1)NCc1ccnc([C@@H]2CCCO2)n1 257308969 TYYIWZKQQGAAAJ-ZDUSSCGKSA-N 303.387 2.249 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 257298381 RLKMFOQRTMTMKO-HNNXBMFYSA-N 319.430 2.428 0 40 DEAB Cc1cc(-c2nccs2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 257202895 ANVPWIVKKXEBQE-NSHDSACASA-N 324.431 2.005 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@]2(C)c2nc(C)cc(C)n2)cn1 257333941 YDTSPGKGUJHBEE-QGZVFWFLSA-N 311.389 2.343 0 40 DEAB NC(=O)CC[C@@]1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1 585279833 ZNXJLZPEVFGHPA-HNNXBMFYSA-N 314.788 2.072 0 40 DEAB CCOC[C@@H]1CCN(C)C2(C1)CN(Cc1scnc1C)C2 585102630 CQKNDNAABWVGGH-CQSZACIVSA-N 309.479 2.384 0 40 DEAB COc1cncc(Br)c1I 694855771 KTFOOTWRGBPIOJ-UHFFFAOYSA-N 313.920 2.457 0 40 DEAB O=C(O)[C@@H]1COCCN1C(=O)c1cc(F)c(Cl)cc1Cl 88373596 GZLWNAJMKLKXPO-JTQLQIEISA-N 322.119 2.058 0 40 DEAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C 5193792 ZPGCBUBVNWQICN-LLVKDONJSA-N 320.349 2.253 0 40 DEAB COC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 5511429 CJLAZBALPIGUPK-UHFFFAOYSA-N 319.382 2.439 0 40 DEAB CCCc1nnc(SCC(=O)Nc2ccc(CC)cc2)n1N 5555223 QKWJGAUUKYCGHW-UHFFFAOYSA-N 319.434 2.238 0 40 DEAB O=C([C@H]1CCCO1)N1Cc2ccccc2OC2(CCOCC2)C1 12337498 LRAJYVMNBUNJRM-MRXNPFEDSA-N 317.385 2.136 0 40 DEAB COc1ccc(NC(=O)COc2cccc(C(=O)O)c2)cc1 13079964 WOGKZSIPDFQOHK-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB Cc1cc(C)n(CC(=O)Nc2cccc3ncccc23)c(=O)n1 13684482 PMHCGYBBKUOJTB-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB Cc1ccc2c(c1)cc(C(=O)N1CC[C@H](C(=O)N(C)C)C1)n2C 19747869 HPLMSOLSRUMRIB-ZDUSSCGKSA-N 313.401 2.037 0 40 DEAB CCOC(=O)/C(C(=N)SC)=C1/NN=C(c2ccccc2)O1 6463264 ZTJDODSNYVJOJW-WSAYOVPUSA-N 305.359 2.083 0 40 DEAB Cc1c[nH]nc1C[C@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 1848441993 CLVGYFBAVNKZQN-CQSZACIVSA-N 314.437 2.029 0 40 DEAB Cc1c(C(=O)N2CCOC[C@@H]2c2cc[nH]n2)c2ccccc2n1C 2037776070 UVWDIZYDOOJGFY-MRXNPFEDSA-N 324.384 2.424 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cc(C3CC3)on1)C2 1146921935 RSBPCSKQNWVNAP-NVXWUHKLSA-N 320.389 2.210 0 40 DEAB COCCN1CCC[C@@]12CCCN(C(=O)c1cc[nH]c1)CC2 1565544251 GWWULLHNGWVNJE-QGZVFWFLSA-N 305.422 2.122 0 40 DEAB CCCOc1ccc(N2C[C@@H](C(=O)NC(C)C)CC2=O)cc1 2192370 AEVBVPQSFRPKHR-ZDUSSCGKSA-N 304.390 2.353 0 40 DEAB O=C(NCCc1ccccc1)N[C@H]1CC(=O)N(c2ccccc2)C1 5123110 QYGVWOSXJAGLBB-INIZCTEOSA-N 323.396 2.334 0 40 DEAB Cn1nnc2c(Nc3ccc(Br)cc3)ncnc21 5381242 DOCUUGZJDDLPDR-UHFFFAOYSA-N 305.139 2.264 0 40 DEAB NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@]1(O)C(F)(F)F 4476908 RAVGFZIANOJXFH-SNVBAGLBSA-N 323.727 2.244 0 40 DEAB O=C(NC[C@@](O)(c1ccco1)C1CC1)c1ccc2c(c1)OCO2 75154885 PBBWNHUKLKHUGW-KRWDZBQOSA-N 315.325 2.036 0 40 DEAB CCOc1ccc(C)cc1S(=O)(=O)NCc1ccncc1 9061904 DMFXAFUJHUQYSF-UHFFFAOYSA-N 306.387 2.267 0 40 DEAB CCCc1noc([C@H](C)Nc2cccc(OCC(=O)NC)c2)n1 30493092 VRYLSUFNVGSMIV-NSHDSACASA-N 318.377 2.320 0 40 DEAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccccc1Cl 31375947 CIDXXLWVCKYCDP-CHWSQXEVSA-N 311.765 2.239 0 40 DEAB O=C1CCCN1c1cccc(CNc2cn[nH]c(=O)c2Cl)c1 40555476 WKBQDIHWEGDFRU-UHFFFAOYSA-N 318.764 2.162 0 40 DEAB C[C@H](c1ccc(Cl)cc1)N(C)S(=O)(=O)c1cnn(C)c1 40528109 FDEVZPQICYTBKK-SNVBAGLBSA-N 313.810 2.455 0 40 DEAB N=C(N)Nc1ccc(Sc2ccc(NC(=N)N)cc2)cc1 1705420 LNPDUWGHPCQXJU-UHFFFAOYSA-N 300.391 2.449 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 3257540 PUVZCARIZYMCRY-STQMWFEESA-N 310.419 2.371 0 40 DEAB O=C(NCCc1ccccc1)C(=O)Nc1cccc2[nH]ccc12 32100681 ZFYYGWIOIIFIIK-UHFFFAOYSA-N 307.353 2.465 0 40 DEAB CSCC[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)O 20736450 GQWXRYKNMCQGQF-LBPRGKRZSA-N 324.377 2.103 0 40 DEAB COc1ccccc1-n1nnc(C(=O)Nc2ccccc2C)c1N 4984905 STBYKPXOHXIKJT-UHFFFAOYSA-N 323.356 2.419 0 40 DEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCCc1ccccn1 21184126 ACIHBABVMQQMGE-UHFFFAOYSA-N 323.396 2.110 0 40 DEAB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC(N)=O)cc1C 6966762 KUORFCXGBNBWRS-LCYFTJDESA-N 308.341 2.196 0 40 DEAB C[C@H](NC(=O)N1CCC[C@H](O)C1)c1ccc2c(c1)OCCCO2 46070298 JJUZCBMEBZSXBO-JSGCOSHPSA-N 320.389 2.075 0 40 DEAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)Cc1ccc(F)cc1Cl 46106240 DJCRYTQTCHZVMJ-QMMMGPOBSA-N 319.785 2.061 0 40 DEAB Cn1c(S)nc2cc(C(=O)NC3CCCCC3)ccc2c1=O 102169210 KRGMHJLDLFUCSZ-UHFFFAOYSA-N 317.414 2.285 0 40 DEAB CCc1nnc2n1CCN(C(=O)c1cc3c(s1)CCCC3)C2 69511368 KIVLETDOYWRSJV-UHFFFAOYSA-N 316.430 2.437 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1 52781839 PPNRXPOJFYGYLM-RISCZKNCSA-N 311.403 2.330 0 40 DEAB CC(C)NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H](C)CC2)C1 69508759 PJXJFBLZGWCREZ-GJZGRUSLSA-N 309.454 2.465 0 40 DEAB O=C([C@@H]1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1 54030199 CIDVQYZFOQOMTL-INIZCTEOSA-N 305.349 2.247 0 40 DEAB CC(C)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1 23054098 NBIWJQGDCFWWLM-HNNXBMFYSA-N 316.401 2.429 0 40 DEAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)N1CCCCC1 42676094 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O=Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)cc1 3322098 WJRYISZFGYVGEC-UHFFFAOYSA-N 323.348 2.241 0 40 DEAB O=C(NCc1cc[nH]n1)N1CCN(c2cccc(Cl)c2)CC1 48234621 ALNFHFIXKRIGJV-UHFFFAOYSA-N 319.796 2.095 0 40 DEAB C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(CCO)CC1 69658932 PDOZYCPQUJFKRH-LBPRGKRZSA-N 302.340 2.376 0 40 DEAB O=C(NCCNc1ncccn1)NCc1ccc(F)c(Cl)c1 69329217 DUPKUBUQDHQJNK-UHFFFAOYSA-N 323.759 2.180 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)O 4000333 SNVWKLNNEVZRDS-BMIGLBTASA-N 318.373 2.416 0 40 DEAB biogenic Cn1cnnc1C1CCN(C(=O)[C@@H]2CCc3ccccc32)CC1 69456825 CBWISIWEHDRFOY-MRXNPFEDSA-N 310.401 2.251 0 40 DEAB Cc1nnc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)s1 14849465 NEBUZFHKLWQXPG-LLVKDONJSA-N 316.386 2.376 0 40 DEAB C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CCc2[nH]ncc2C1 90455091 WCYNTWKPSFMLOG-XHDPSFHLSA-N 316.380 2.413 0 40 DEAB O=C(NCCc1ccncc1)c1n[nH]c2c1COc1ccccc1-2 96223646 NAPJPFGCZDZJII-UHFFFAOYSA-N 320.352 2.337 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)Nc1nn(-c2ccccc2)cc1C 78796510 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O[C@@H](COc1cccc2[nH]ccc12)CN1CC[C@]2(CCOC2)C1 84490441 CTINUQDOEPQRCV-KDOFPFPSSA-N 316.401 2.020 0 40 DEAB O=C(NC[C@H]1SCCc2ccccc21)N1CCC[C@@H](CO)C1 84582069 GIHLFPYEQRRHFP-CZUORRHYSA-N 320.458 2.431 0 40 DEAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCc2n[nH]cc2C1 95398689 TVDOZJOOWSSFEB-CYBMUJFWSA-N 302.422 2.163 0 40 DEAB O=C(NCc1ccsc1)Nc1cnn(C[C@@H]2CCCO2)c1 79978635 DEBRIIIKFPQJRY-ZDUSSCGKSA-N 306.391 2.445 0 40 DEAB Cc1nc(CN2CCN(c3ccc(F)cc3Cl)CC2)no1 95441424 IOEZSGRFHGDAIC-UHFFFAOYSA-N 310.760 2.493 0 40 DEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)NC[C@H]1CC=CCC1 98055401 AGXWMECPZVTFLW-BQGMYUGNSA-N 323.400 2.452 0 40 DEAB O=C(c1cc(F)c(F)c(F)c1)N1CC[C@@](O)(C(F)(F)F)C1 73921844 NLSYDOQZHDQVLV-NSHDSACASA-N 313.197 2.243 0 40 DEAB Cc1noc(COC(=O)c2cnn(-c3ccc(F)cc3F)c2)n1 95975567 NOLHAZIZAYZUDK-UHFFFAOYSA-N 320.255 2.199 0 40 DEAB CC[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1noc(C)n1 95995095 TVOOAJSPICWIGO-MNOVXSKESA-N 310.398 2.474 0 40 DEAB O[C@H]1CCCC[C@@H]1N1CCN(CCc2ccc(F)cc2)CC1 95976579 YAZLCRWULHUPKI-ROUUACIJSA-N 306.425 2.289 0 40 DEAB CC[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1noc(C)n1 95995092 TVOOAJSPICWIGO-WDEREUQCSA-N 310.398 2.474 0 40 DEAB Cc1nc(CN2CCN([C@@H](C)c3ccc(F)cc3)CC2)no1 95959679 WTYOATVYZRERDL-LBPRGKRZSA-N 304.369 2.396 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C)Cc1ccncc1 74673925 FNZLTNYZEGFENG-GFCCVEGCSA-N 315.421 2.205 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@@H]1CO)Oc1cccc(Cl)c1 74781136 NNQVMFXEJKMNJM-DGCLKSJQSA-N 312.797 2.274 0 40 DEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1 28263431 DMZGWRNSBCBCJQ-DZGCQCFKSA-N 324.446 2.068 0 40 DEAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O 409210315 JZFRPZCLXQFQFD-DHZHZOJOSA-N 308.359 2.394 0 40 DEAB Cc1cc(S(N)(=O)=O)cc(NC(=O)CCc2ccco2)c1C 32820617 LPCKYVOJNRJIPJ-UHFFFAOYSA-N 322.386 2.115 0 40 DEAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)c1ccco1 35592938 KHJZQTSXZJDGQF-INIZCTEOSA-N 300.358 2.083 0 40 DEAB CC(C)[C@H](C)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 31715668 SRGGSMPQKYMRQG-ZDUSSCGKSA-N 324.446 2.343 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@H]2COc1cccnc1 306129445 IDLLLBWHIQUJKI-AWEZNQCLSA-N 304.390 2.268 0 40 DEAB COc1cccc(-c2ccc(C[C@@H]3NCCN(C)C3=O)cc2)c1 72352846 KJMDNVOGFXXVQE-SFHVURJKSA-N 310.397 2.335 0 40 DEAB NC(=O)CN1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1 72367500 ICZKMTMIIUUZRV-QGZVFWFLSA-N 313.376 2.434 0 40 DEAB CC(=O)N1CCN(C(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)CC1 32873674 UXIVAOCEFFUPSJ-NBOVPLECSA-N 302.374 2.107 0 40 DEAB CCOc1cc(C(=O)NCCNC(=O)C2CCCC2)ccc1C 79092731 IHMMTASMDLVDSA-UHFFFAOYSA-N 318.417 2.430 0 40 DEAB Cc1cc(C(=O)Nc2nn(C)c3c2C[C@@H](C)C(=O)N3)c(C)o1 35597749 LEJFMCXRFONKTP-SSDOTTSWSA-N 302.334 2.013 0 40 DEAB CN(CCO)C(=O)c1csc(-c2cc3ccccc3n2C)n1 38670979 KOJQSKOFHUGTJX-UHFFFAOYSA-N 315.398 2.366 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1 79098510 QASCZAWCKBPWTD-NWANDNLSSA-N 324.446 2.007 0 40 DEAB Cc1cc(N2CCOCC2)ncc1CNC(=O)OC(C)(C)C 72223546 KOLFSOVEJUKZGH-UHFFFAOYSA-N 307.394 2.251 0 40 DEAB COc1cccc(C2CCN(C(=O)[C@@H]3CCC(=O)N3C)CC2)c1 187657401 LOSQBKSMYDTLJW-INIZCTEOSA-N 316.401 2.022 0 40 DEAB Cc1ccc2ncn(CC(=O)NC3CCC(C)CC3)c(=O)c2c1 40117034 SAHSDPHKZDOWLV-UHFFFAOYSA-N 313.401 2.400 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(OC)c2)C1 40539193 MOOLJYDEBKMZCN-ZDUSSCGKSA-N 306.362 2.046 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)c(Cl)c1 44556498 SZYSJFSKOQGDCA-LLVKDONJSA-N 302.827 2.150 0 40 DEAB CCOC(=O)c1cc(-c2ccc(OCC)cc2)nn(C)c1=O 225964610 RCACYYXHTIXYPF-UHFFFAOYSA-N 302.330 2.023 0 40 DEAB CC1(C)CCN(Cc2cn(-c3ccccc3)nn2)CC[S@@]1=O 571135473 FHYDBELKGSPIOC-QFIPXVFZSA-N 318.446 2.000 0 40 DEAB CCCOC(=O)c1cc(NC)ccc1N1CCN(CC)CC1 226277849 QYAFVXOUCGBYSL-UHFFFAOYSA-N 305.422 2.437 0 40 DEAB O=C(c1ccco1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96046880 CHCAFMBZVXYQFF-UHFFFAOYSA-N 302.374 2.144 0 40 DEAB CCS(=O)(=O)[C@@H](C)[C@H](O)c1ccc(Br)cc1 96519376 FJHHKLNCCAICEY-KWQFWETISA-N 307.209 2.306 0 40 DEAB O=C1CC[C@]2(CCCN(C[C@@H]3CCOC3)CC2)N1CC1CC1 96217929 DTDWLASIRPVACL-WMZOPIPTSA-N 306.450 2.280 0 40 DEAB COc1cccc2c(=O)[nH]nc(Cc3cccc(C(=O)O)c3)c12 98181687 CDASQGSFMNQFLL-UHFFFAOYSA-N 310.309 2.221 0 40 DEAB Fc1cccnc1O[C@H]1CCOC2(C1)CN(C1CCOCC1)C2 247560209 YPUJXWWUZZFRJU-AWEZNQCLSA-N 322.380 2.012 0 40 DEAB CO[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)Cc2cccn2C1 247849675 OEECWNJFENMSOX-HNNXBMFYSA-N 306.312 2.437 0 40 DEAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@@H](C2)N1C(=O)[C@H]1CC12CCC2 247956804 MEYJDUPBPXBMBS-OUCADQQQSA-N 313.401 2.139 0 40 DEAB C[C@]1(c2cc[nH]n2)CCCN(S(=O)(=O)c2ccccc2)C1 257263299 LPEFVTWJOWMYSK-HNNXBMFYSA-N 305.403 2.152 0 40 DEAB CS(=O)(=O)N1CC[C@@H](Cc2ccc(-c3nccs3)nc2)C1 257281407 OPAOMMUXYWOXMX-LBPRGKRZSA-N 323.443 2.029 0 40 DEAB O=C(NC[C@H](O)COc1cccc(F)c1)[C@@H]1[C@H]2CCCC[C@H]21 252487192 UICOFEPKZWRZLX-ARLBYUKCSA-N 307.365 2.118 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(CC(C)C)no2)n1 257234891 GVLYSGLPZZQGST-ZDUSSCGKSA-N 318.377 2.118 0 40 DEAB CCC(=O)N1CC[C@H](c2nc(Cc3cccc(OC)c3)no2)C1 273874818 UFLXONPPZSXSHT-ZDUSSCGKSA-N 315.373 2.395 0 40 DEAB CO[C@H]1CCOC2(C1)CN(C(=O)c1cn(C)c3ccccc13)C2 575402499 BOXPSVVTWSQTKL-ZDUSSCGKSA-N 314.385 2.198 0 40 DEAB Cc1nc(CNC(=O)NCc2cccc(OC3CC3)c2F)no1 660741022 XGPZQBKWXCTBGU-UHFFFAOYSA-N 320.324 2.058 0 40 DEAB Cc1n[nH]cc1CN1CCC[C@](O)(COc2cccc(F)c2)C1 585274859 PSLGGUROBCYMCH-QGZVFWFLSA-N 319.380 2.263 0 40 DEAB Cc1noc([C@H]2CCC3(CCN(C(=O)C4(F)CCC4)CC3)O2)n1 585113458 KNPYQGGANIUARP-GFCCVEGCSA-N 323.368 2.483 0 40 DEAB Cc1noc(C)c1CN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)OC(C)C 585108990 LJUHFAHPPTVNLL-KBPBESRZSA-N 321.377 2.012 0 40 DEAB COCCN1CCN(C[C@@H](O)c2ccc(CC(C)C)cc2)CC1 51281754 MZBBSWJNVZGKRH-LJQANCHMSA-N 320.477 2.183 0 40 DEAB COc1ccc([C@@H]2C[C@@H]2C(=O)O[C@H]2C(=O)OCC2(C)C)cc1 68601210 NDNHGVZQDNAXRL-IHRRRGAJSA-N 304.342 2.294 0 40 DEAB O=C1NCCN(C(=O)c2cccnc2)[C@H]1c1ccccc1Cl 62689506 YWBVBPMXEPDBPN-AWEZNQCLSA-N 315.760 2.048 0 40 DEAB O=C(NC[C@H]1CCCO1)Nc1ccc(Cn2cccn2)cc1 69200875 SYWHZTOCVYRYCK-OAHLLOKOSA-N 300.362 2.232 0 40 DEAB CSCC[C@H](C)NC(=O)NCc1cc(=O)[nH]c2ccccc12 85406542 GAEYILRENBLZHU-NSHDSACASA-N 319.430 2.469 0 40 DEAB Cc1cc(OCC(=O)N2CCC[C@H](c3nccs3)C2)no1 72273470 PCXDYYOWMFGKPO-NSHDSACASA-N 307.375 2.225 0 40 DEAB CCc1ccc(S(=O)(=O)NC[C@]2(OC)CCSC2)s1 96097659 ZLNFBCNHOMONRE-GFCCVEGCSA-N 321.489 2.111 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)NCCn3cccc3)CCO2)o1 97021410 ZBUDYTUKOMTOBE-HNNXBMFYSA-N 303.362 2.173 0 40 DEAB CCN1/C(=C/C=C2\OC(=S)N(C)C2=O)Oc2ccccc21 5002558 MHYDFBATDFTVBJ-JMVBYTIWSA-N 302.355 2.404 0 40 DEAB CCOCCCNC(=S)Nc1cc(C(=O)OC)ccc1C 16274892 IOLIWJAMOPCSJJ-UHFFFAOYSA-N 310.419 2.495 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 169305955 VYTIHJCAZFZCNH-BHTHQVBYSA-N 311.337 2.314 0 40 DEAB CCn1c(S)nnc1[C@H]1CC(=O)N(Cc2ccccc2)C1 1889104461 FRTXOUVPRWENHU-LBPRGKRZSA-N 302.403 2.103 0 40 DEAB CC(C)/C=C/C(=O)N1CC[C@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225406 SZELFQIFOPDIPX-BWZQFPAASA-N 304.434 2.448 0 40 DEAB O=C(O)CNC(=O)COc1ccc(Oc2ccccc2)cc1 3226132 ZEHUXFLWQXHIOX-UHFFFAOYSA-N 301.298 2.059 0 40 DEAB CCn1ccnc1N1CCN(C(=O)/C=C\c2ccccc2)CC1 12444574 IKXKBVUSENPYBV-HJWRWDBZSA-N 310.401 2.265 0 40 DEAB O=C(c1cnc2n1CCN(CCc1ccccc1)C2)N1CCCC1 2055746434 DSCPVKYOJWIQOR-UHFFFAOYSA-N 324.428 2.177 0 40 DEAB c1ccc(CN[C@@H]2CCc3onc(CN4CCCC4)c3C2)nc1 2055738855 VUGVFPHWOUNYAT-CQSZACIVSA-N 312.417 2.313 0 40 DEAB Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2 18141610 JHRNUMVGSNJFOB-UHFFFAOYSA-N 320.348 2.154 0 40 DEAB Cc1cc(C)nc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)n1 2086860266 JXDDBKRRDPJQNE-KBPBESRZSA-N 313.380 2.200 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(C2CC2)[nH]n1 40497449 BMESIJIJXHEREH-UHFFFAOYSA-N 313.357 2.031 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)NCc2nc(C)cs2)c1 40438017 ICEOWNGERTVIDN-UHFFFAOYSA-N 310.400 2.133 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1 40481213 ZZLVIUIHJJMZQS-HASJVIIQSA-N 312.373 2.270 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCCCCC1 7339720 UTFYQJRFPWZIHT-UHFFFAOYSA-N 319.405 2.468 0 40 DEAB CCCc1n[nH]c(SCCN2C(=O)c3ccccc3C2=O)n1 11461468 HZEORENCFAQZGL-UHFFFAOYSA-N 316.386 2.146 0 40 DEAB O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1 1324879 KNYYZOJWHGOUEK-UHFFFAOYSA-N 322.430 2.144 0 40 DEAB CCCn1nnnc1SCC(=O)c1cc(OC)ccc1OC 1357479 NIOIYMHYVDKDLO-UHFFFAOYSA-N 322.390 2.075 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2C2OCCO2)c1 69517323 OLMCRSNMDOJECT-OAHLLOKOSA-N 321.373 2.071 0 40 DEAB COc1cc(N2CCC[C@@]3(C[C@@H](OCC4CC4)CO3)C2)ncn1 107228974 UGBYUPNYAAFEQQ-RHSMWYFYSA-N 319.405 2.040 0 40 DEAB CS[C@@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 60674017 OWNZLDXVEJQWRL-XQQFMLRXSA-N 323.462 2.063 0 40 DEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C(=O)O)C1 41565005 JINRKKBYQYYDRV-VHSXEESVSA-N 313.300 2.055 0 40 DEAB COc1cccc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1OC 103527258 LZRRBDHBUWHKCA-LWWSYDQCSA-N 313.353 2.011 0 40 DEAB CCNC(=O)CN(CC)C(=O)c1ccc(Br)cc1 37493652 PECYCQBVRZHPQW-UHFFFAOYSA-N 313.195 2.047 0 40 DEAB CC(=O)[C@H]1[C@H](/C=C/c2ccccc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 33837254 YHXCGSKXQOACAT-HMDRVHRGSA-N 314.381 2.450 0 40 DEAB biogenic Cc1nc(C)c([C@H](C)N(C)S(=O)(=O)N2CCCCC2)s1 106897276 CRQCZDLMRLVPNZ-NSHDSACASA-N 317.480 2.483 0 40 DEAB C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)N1CCCCC1 55933612 PYAHVHZSHHAZBM-AWEZNQCLSA-N 314.433 2.486 0 40 DEAB O=C(CCCn1cncn1)Nc1nc(-c2ccco2)cs1 56676791 ITFVHLVMAVFKAT-UHFFFAOYSA-N 303.347 2.414 0 40 DEAB CC[C@@H]1CCCC[C@@H]1NC(=O)N(C)[C@H](C)CS(=O)(=O)CC 110591593 PVGSMDOFAFDBGS-MCIONIFRSA-N 318.483 2.420 0 40 DEAB CCCS(=O)(=O)NCc1cccnc1OCc1ccccc1 57006499 IATKNZWYVPMVGU-UHFFFAOYSA-N 320.414 2.490 0 40 DEAB COc1ccc(-n2cc(C(=O)NCc3cccs3)nn2)cc1 44167818 ZGAMGFHBFHFVBD-UHFFFAOYSA-N 314.370 2.267 0 40 DEAB CC[C@@H](C)NC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57522223 FITXGRWZKRJMAM-LLVKDONJSA-N 317.364 2.273 0 40 DEAB Cc1cc(C)n(-c2ccc(NC(=O)[C@H](C)n3ccnc3)cn2)n1 44973298 CRRVNVFCZPCLED-ZDUSSCGKSA-N 310.361 2.280 0 40 DEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1ccccc1Cl)CS2 12874590 AULHSHKKEHGCRR-IUODEOHRSA-N 324.833 2.410 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N1CCC[C@H](C(=O)O)C1 13171202 LPZMMHBEHUXQOT-HBWSCVEGSA-N 303.358 2.422 0 40 DEAB O=S1(=O)C[C@@H]2SC(=S)N(c3cccc(Cl)c3)[C@@H]2C1 7995082 GVCDLTNTPJZZPE-ZJUUUORDSA-N 319.860 2.344 0 40 DEAB c1ccc2nc(Sc3nnnn3C3CCOCC3)cnc2c1 69626253 KOYLOORRHXBXGV-UHFFFAOYSA-N 314.374 2.119 0 40 DEAB Cn1c(CN2CCC[C@H](Cn3cncn3)C2)nc2ccccc21 69662791 UOCRYOZSLUJVRT-AWEZNQCLSA-N 310.405 2.077 0 40 DEAB COc1ccccc1CCC(=O)Nc1nc(CC(=O)O)cs1 13404977 VVTHSVVKUHSZIL-UHFFFAOYSA-N 320.370 2.350 0 40 DEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccccc1 8142097 ZTMCKNNXLILEDB-LBPRGKRZSA-N 324.384 2.315 0 40 DEAB CN(C)c1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1 20744502 AUNHWZCDTVWOJW-UHFFFAOYSA-N 300.362 2.429 0 40 DEAB CCn1c(S[C@H](C)c2ccncc2)nnc1N1CCOCC1 69771427 HAXDJOSKBQYUKD-GFCCVEGCSA-N 319.434 2.383 0 40 DEAB CC(C)OCCCNC(=O)[C@H]1CCCCN1C(=O)c1ccco1 65475299 NTHIHRIIDMJQHE-CQSZACIVSA-N 322.405 2.206 0 40 DEAB NC(=O)[C@H](CNC(=O)NC1CCCCC1)Cc1ccc(F)cc1 69378972 QAYODFIWRRWELR-ZDUSSCGKSA-N 321.396 2.102 0 40 DEAB CCC(CC)(CNC(=O)C(=O)Nc1ccc(F)c(C)c1)N(C)C 65603783 SGSNUAUVFAWMOC-UHFFFAOYSA-N 323.412 2.309 0 40 DEAB CC(C)(C(=O)N1CCC[C@H](n2cccn2)C1)n1cc(Cl)cn1 65625517 DUSUGGWFXWNLMW-ZDUSSCGKSA-N 321.812 2.332 0 40 DEAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc(F)cc1Cl 6606349 DLIQILIEAYBRPG-RXMQYKEDSA-N 315.761 2.299 0 40 DEAB CCCN(C)c1ccc2c3c(=O)n(C)nc(Cl)c3cn2n1 4771671 AJPJFVJVGQOVPH-UHFFFAOYSA-N 305.769 2.081 0 40 DEAB CC(=O)N(C)c1nc(CN[C@H](C)[C@H](C)n2cccn2)cs1 69948573 UWYYSNGBIBXJLK-MNOVXSKESA-N 307.423 2.062 0 40 DEAB Cc1cnn(C[C@@H]2CN(c3cnc4ccccc4n3)CCO2)c1 71186475 YRGXPQUOBYZOCY-AWEZNQCLSA-N 309.373 2.040 0 40 DEAB COC(=O)c1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1OC 9315248 OOULOUUPOYLESF-GFCCVEGCSA-N 303.358 2.454 0 40 DEAB Cc1cccc(-c2[nH]ncc2CN2CCC[C@@H](CC(N)=O)C2)c1 93808823 JIFKBEXIZXHKPD-AWEZNQCLSA-N 312.417 2.473 0 40 DEAB C1=CC[C@H](CN2CCN(Cc3noc(C4CC4)n3)CC2)CC1 96490048 GSHMNDCKCAMQEF-AWEZNQCLSA-N 302.422 2.421 0 40 DEAB COC(=O)Nc1ccc(CNc2ccc(C(=O)OC)nn2)cc1 96998780 OXECCVDDZJZYAB-UHFFFAOYSA-N 316.317 2.054 0 40 DEAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[C@@H]1CCCO1 71890128 NHPMHPZAZFVYJU-OLZOCXBDSA-N 312.410 2.023 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCOc1cccc(Cl)c1 71830132 AKPYPOZYYPNKKR-NWDGAFQWSA-N 324.808 2.221 0 40 DEAB Cc1cc(C(=O)N2CCN3CCCC[C@@H]3C2)nn1C(C)(C)C 71839748 CGRFFMLKVNDJRA-CQSZACIVSA-N 304.438 2.257 0 40 DEAB Cc1cc(C[S@@](=O)CC(=O)Nc2ccc(F)cc2F)no1 71859226 QTCBFACUKQQVMJ-NRFANRHFSA-N 314.313 2.149 0 40 DEAB CCC[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1nnn[nH]1 89949567 BISGVGCSZAPHLR-QWHCGFSZSA-N 317.418 2.188 0 40 DEAB C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 72293405 LAUMYCOVBQBJKG-CHWSQXEVSA-N 318.417 2.464 0 40 DEAB CC(C)COc1ccc(C(C)(C)C(=O)NS(C)(=O)=O)cc1 72271634 XKBABBYWUXBBFG-UHFFFAOYSA-N 313.419 2.075 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)N[C@H](CO)c1ccco1 84505938 ZUQFZNVCBFBYRZ-GFCCVEGCSA-N 315.778 2.086 0 40 DEAB O=C(/C=C/c1cnccn1)N(C[C@H]1CCCO1)[C@H]1CCSC1 95365063 VENPEZHFOJBLMF-NMONBKHDSA-N 319.430 2.003 0 40 DEAB CNC(=O)[C@H](NC(=O)c1cccc2[nH]ccc12)c1ccccc1 95406151 JBXKNVUMRJLDER-MRXNPFEDSA-N 307.353 2.385 0 40 DEAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)NCc1ccnn1C 95424292 UAHZBWXKGKYNEW-KGLIPLIRSA-N 308.426 2.155 0 40 DEAB CCc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)Cn1cncn1 95421170 PHCIOCPEHVFIRX-KBPBESRZSA-N 315.421 2.236 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(CCOC(C)C)CC2)o1 74389374 QJJJUMNCBKXZJT-VOTSOKGWSA-N 306.406 2.170 0 40 DEAB CC(C)[C@H](C)N(C(=O)c1ccc(OCC(N)=O)cc1)C1CC1 79317212 WUPRMYMYRRPWQN-LBPRGKRZSA-N 304.390 2.200 0 40 DEAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1ncon1 552180867 BQDVLSDLCBSBMM-VIFPVBQESA-N 312.251 2.461 0 40 DEAB Cc1ccc2c(CC(=O)N3CC[C@]4(CNC(=O)C4)C3)coc2c1 516363746 HJWQVDGCJFQCQF-SFHVURJKSA-N 312.369 2.022 0 40 DEAB CSc1ccc(S(=O)(=O)N[C@H](CN)CC(C)C)cc1 124236304 SXOYWSYKXWHXMN-NSHDSACASA-N 302.465 2.060 0 40 DEAB NC(=O)c1cccc(CONC(=O)CCCc2ccccc2)c1 79002847 PPOWECYHIIKACQ-UHFFFAOYSA-N 312.369 2.356 0 40 DEAB CCOC(=O)C[C@](C)(NCc1nonc1C)c1ccccc1 521394168 HIEXCONDYXIZDS-INIZCTEOSA-N 303.362 2.336 0 40 DEAB CCCCOCCOC(=O)c1snnc1-c1coc(C)n1 223859580 BQVOKOIMFSNIFP-UHFFFAOYSA-N 311.363 2.475 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCc1ccccc1)O2 40778727 BTWFPZQOFYMZHU-IBGZPJMESA-N 324.380 2.444 0 40 DEAB CC(=O)c1ccc(=O)n(Cc2sc(C)nc2C(F)(F)F)n1 195426324 ALDYNSAFNCLUJS-UHFFFAOYSA-N 317.292 2.278 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H]3CCCO3)C2)c1 81571102 YLGIAIXDRWULOF-GDBMZVCRSA-N 320.433 2.393 0 40 DEAB O=C(CCCc1nnc2ccccn12)Nc1ccc2c(c1)OCO2 85431178 MAFZKZQQAWCLKV-UHFFFAOYSA-N 324.340 2.419 0 40 DEAB C[C@@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)c1cccs1 89797083 RWDHAGYZJHXCNC-MRVPVSSYSA-N 314.370 2.466 0 40 DEAB CCc1nn(C)cc1CNC(=O)N(C)C[C@H](C)c1nccs1 96502290 RFQGPZCNMQEGKM-NSHDSACASA-N 321.450 2.384 0 40 DEAB NC(=O)NC1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 96075890 BXQMLQMHVVPVNZ-UHFFFAOYSA-N 319.380 2.298 0 40 DEAB COC(=O)C1(NC(=O)c2cccc(-n3ccnc3)c2)CCCC1 96409822 JVSCDZVPBQIGII-UHFFFAOYSA-N 313.357 2.088 0 40 DEAB Cc1cc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)[nH]n1 96421666 ZNEIZWKINKAXII-ZDUSSCGKSA-N 321.425 2.124 0 40 DEAB C[C@H](NC(=O)[C@@H](C)CS(C)(=O)=O)c1ccc2c(c1)CCC2 95405988 QXLUJXJHCXZJQV-RYUDHWBXSA-N 309.431 2.033 0 40 DEAB Cc1cccc(S(=O)(=O)CCCN2CC[C@]3(CCOC3)C2)c1 97094644 MLOHIPVVIBJHDW-KRWDZBQOSA-N 323.458 2.271 0 40 DEAB CN(C)[C@H](CNC(=O)C[C@H]1CCCO1)c1c(F)cccc1F 96406392 RRWPVSHBFKDEOU-BXUZGUMPSA-N 312.360 2.253 0 40 DEAB CNc1ncnc2ncn(C[C@@H](O)c3ccccc3Cl)c12 96407761 MSVFDLHLOSGJOL-LLVKDONJSA-N 303.753 2.255 0 40 DEAB CNc1nccnc1C[C@@H]1CCCN(CC2CCOCC2)C1 257335649 YLEVSOMWXVUILO-HNNXBMFYSA-N 304.438 2.199 0 40 DEAB CCN(C)[C@@H]1CN(C(=O)c2ccnn2C)C2(CCCCC2)C1 257227643 FQGIGRVPJSHDCH-AWEZNQCLSA-N 304.438 2.289 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)n1 257202154 AKSKYJNYNSANNK-OAHLLOKOSA-N 313.405 2.168 0 40 DEAB COC1CN(c2ccc(NS(=O)(=O)c3ccccc3)cc2)C1 253399573 JRRSIGKDGDJVOZ-UHFFFAOYSA-N 318.398 2.322 0 40 DEAB O=C(Cc1ccccc1Cl)Nc1cc(-n2cccn2)ncn1 90614131 HIQZEIDARLTPBW-UHFFFAOYSA-N 313.748 2.497 0 40 DEAB O=C1C[C@]2(CCN(C(=O)c3ccccn3)C2)Oc2ccccc21 96367168 RQHFAKBFOIRWDH-SFHVURJKSA-N 308.337 2.332 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)c1cc(C)nc2c1c(C)nn2C 66126773 IBDDWLVEFJPPNS-LBPRGKRZSA-N 317.437 2.045 0 40 DEAB COC[C@H](C)NC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C 69537608 ILASETDDNZHVAU-NSHDSACASA-N 324.377 2.417 0 40 DEAB COc1ncnc(N)c1CNC[C@@H](C)Oc1ccccc1Cl 85330281 CNASUONYTSRPJQ-SNVBAGLBSA-N 322.796 2.278 0 40 DEAB CC1(C)CN(C(=O)[C@@H]2CSc3ccccc32)CC[S@@]1=O 88206194 WYNNRSGQXMOFDV-MPBGBICISA-N 309.456 2.245 0 40 DEAB CN1CC[C@@H](N(C)Cc2cc(Br)cs2)C1=O 70019044 KRJVOFSXEYYTME-SNVBAGLBSA-N 303.225 2.173 0 40 DEAB O=C(c1ccc(N2CCOCC2)cc1)N1Cc2cccnc2C1 582229558 GCOWNZUMFNVOCI-UHFFFAOYSA-N 309.369 2.074 0 40 DEAB Cc1nnc2n1CCN(C(=O)CCc1c[nH]c3ccccc13)CC2 12056788 ZYNIXSULEWEFJN-UHFFFAOYSA-N 323.400 2.085 0 40 DEAB CCCCCC[C@@H](Sc1nnc(O)nc1O)C(=O)OCC 17110036 WDPGGLBATCFSSW-SECBINFHSA-N 315.395 2.277 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](n2ccnn2)C1 206930510 NMAQRGBOUABRBW-SNVBAGLBSA-N 308.744 2.087 0 40 DEAB COCCn1c([C@H]2CC(=O)N(CC3CC3)C2)nc2ccccc21 8845090 CCULZZTUPKMGSE-AWEZNQCLSA-N 313.401 2.409 0 40 DEAB NC(=O)COC(=O)c1ccccc1OCc1ccc(F)cc1 3229304 HMHAHAYYRNIXHA-UHFFFAOYSA-N 303.289 2.047 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)COn1nnc2ccc(Cl)cc21 3417420 KJSWLQYOEDMPPF-PWSUYJOCSA-N 322.796 2.208 0 40 DEAB O[C@H]1CCCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 5830160 CTNSQDVVUQFZNO-DLBZAZTESA-N 301.386 2.036 0 40 DEAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(Cl)s3)C2)nn1 1888844310 UIHJWKAWOVTNOB-UHFFFAOYSA-N 322.821 2.461 0 40 DEAB O=S(=O)(CCn1cnc2ccccc21)NCC1CCCC1 26847530 DTVBBULTELEYKV-UHFFFAOYSA-N 307.419 2.146 0 40 DEAB C[C@H](O)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)O 37407213 MEORQPXWSFVHNN-WKEGUHRASA-N 313.762 2.119 0 40 DEAB Cc1cccc(C(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 4504354 DQRLUWQTCNDVLK-HNNXBMFYSA-N 309.431 2.280 0 40 DEAB COc1cccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)c1 23125914 HTKJKSDXDYLSMD-LSDHHAIUSA-N 322.324 2.193 0 40 DEAB O=C(Cc1cccnc1)N[C@H]1CCN(Cc2ccsc2)C1 618257596 YVLJENXSXYWKCF-HNNXBMFYSA-N 301.415 2.076 0 40 DEAB CC(=O)N(C)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 38608 NBYSTXJLKFMDBD-GJZGRUSLSA-N 318.373 2.499 0 40 DEAB COC[C@H](C)NC(=O)c1ccc(OCc2cccnc2)cc1 40498515 ADZARVHMUHPYLW-ZDUSSCGKSA-N 300.358 2.425 0 40 DEAB CNC(=O)c1cccc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)c1 40468373 LTDAVJZKEXJLPN-ZDUSSCGKSA-N 305.422 2.492 0 40 DEAB COc1ccc(NCc2nn(Cc3ccccc3)c(=O)[nH]2)cc1 36559161 RJQOTNUYAAKHMD-UHFFFAOYSA-N 310.357 2.240 0 40 DEAB CC(C)(C)c1cnc(CN2CCO[C@@H](Cn3cccn3)C2)o1 69519385 ZBRGLRVQUXTMID-CYBMUJFWSA-N 304.394 2.070 0 40 DEAB COc1cc(S(=O)(=O)NCc2ccco2)ccc1Cl 179620 CKWQBYQMCYPUOL-UHFFFAOYSA-N 301.751 2.420 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 428937 KCMMEWHMLQZPBM-LLVKDONJSA-N 322.430 2.063 0 40 DEAB CCN1CCO[C@@H](CC(=O)Nc2cccc(Cl)c2C)C1=O 2439268 VAALCCIRQZKFRN-ZDUSSCGKSA-N 310.781 2.224 0 40 DEAB COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101184738 BACVXVJEIMVFFX-WLVQVHLUSA-N 321.760 2.485 0 40 DEAB Cc1c(C)c(C)c(S(=O)(=O)NCCCN(C)C)c(C)c1C 3170049 YNCKKUWFCDROGM-UHFFFAOYSA-N 312.479 2.459 0 40 DEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)NCc1ccco1)C(=O)C2 3306995 FTRMSHJAOCNXOK-IAQYHMDHSA-N 311.403 2.094 0 40 DEAB CCCCCNC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 6597241 CSAUGGNBXINUEP-ZDUSSCGKSA-N 312.435 2.148 0 40 DEAB CCc1ccc(-c2nn(CN3CCOCC3)c(=S)[nH]2)cc1 21319902 BXUIUIAJTSNKAJ-UHFFFAOYSA-N 304.419 2.460 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NCC1(N(C)C)CCCCCC1 32703877 QZNJWHQAYUGXKO-UHFFFAOYSA-N 320.481 2.350 0 40 DEAB O=C(CN1CCCc2ccccc21)Nc1ccc2[nH]c(=O)[nH]c2c1 2620245 HQWNLJGDTMWBAH-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB O=c1[nH]c(CN2CCOCC2)nc2scc(-c3ccco3)c12 32739708 YOLQSFSRZUQCEA-UHFFFAOYSA-N 317.370 2.077 0 40 DEAB O=C(CCc1ccsc1)NC1CCN(c2ncccn2)CC1 32930114 IXUSSUMIFPQCJM-UHFFFAOYSA-N 316.430 2.256 0 40 DEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)NC(C)(C)CC)c1 32904825 MJPWFYYFIGKIKB-UHFFFAOYSA-N 312.435 2.212 0 40 DEAB Cc1cc(C)c(NC(=O)CSc2cnnc(O)n2)c(C)c1 11990614 FQSSVQJCWHFEQC-UHFFFAOYSA-N 304.375 2.233 0 40 DEAB CC(C)C(=O)N1CCC(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 23132077 CNKMGFGEKVOYTP-CYBMUJFWSA-N 321.248 2.334 0 40 DEAB CSc1nc(C)c(CCC(=O)Nc2cc(C)n[nH]2)c(C)n1 47555563 DWLCJJYEXMFJKH-UHFFFAOYSA-N 305.407 2.418 0 40 DEAB COC[C@@H](C)NC(=O)c1ccc(I)cc1 22624352 NEVIUDILSLGINM-MRVPVSSYSA-N 319.142 2.056 0 40 DEAB CCN1CCC[C@H]1[C@H]1CCCN1C(=O)c1csc(COC)n1 106868371 KGOLBBDUTMVUGF-UONOGXRCSA-N 323.462 2.378 0 40 DEAB Cc1ccsc1C(=O)NCc1ccnc(N2CCOCC2)c1 25290131 OABAMUVXBSINQG-UHFFFAOYSA-N 317.414 2.218 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 108486225 WCGMEJAIYJFJKF-VWYCJHECSA-N 309.312 2.392 0 40 DEAB CC[C@H](C)[C@@H](CO)Nc1cc(C)nc2nc(C(F)(F)F)nn12 71920890 XZAOWAAHOQQURV-IONNQARKSA-N 317.315 2.270 0 40 DEAB Cn1cc(C(=O)C(=O)NCCSc2ccc(Cl)cc2)cn1 58166626 PHPSOVFSSYLELO-UHFFFAOYSA-N 323.805 2.165 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 62118523 VBNXFEDRGSDXJE-JTQLQIEISA-N 301.264 2.181 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(c2cnccn2)C1 44912948 SNSJESBNOSBXDY-UONOGXRCSA-N 314.389 2.033 0 40 DEAB C[C@@H]1CCCCN1C(=O)NCc1ccnc(N2CCOCC2)c1 44968570 BLFSZEVPXRLGPM-CQSZACIVSA-N 318.421 2.002 0 40 DEAB CN(C)c1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)nc1 58405406 NBHLKWTVUUVHBO-UHFFFAOYSA-N 308.341 2.241 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 48261286 CDMSZWCVDGGNHV-HNNXBMFYSA-N 308.809 2.476 0 40 DEAB COc1cc(CNC(=O)c2cncc(Br)c2)ccn1 48263849 GKHFKSDBHPUSLH-UHFFFAOYSA-N 322.162 2.178 0 40 DEAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)no2)c1 48341610 SRWVVGPAMIAFID-NSHDSACASA-N 315.373 2.441 0 40 DEAB COc1ncc(Cl)c(N2CCC[C@H](c3nc(C)no3)C2)n1 91454952 ASQUDWUYJRUCEN-VIFPVBQESA-N 309.757 2.214 0 40 DEAB CC(C)N(C)CC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 63702419 GXBXRAMLECLUJO-SFHVURJKSA-N 317.477 2.355 0 40 DEAB O=C(COC(=O)c1ccccc1O)Nc1cccnc1Cl 5077806 AVJZMORKZREISD-UHFFFAOYSA-N 306.705 2.236 0 40 DEAB COC(=O)c1n[nH]c(NC(=O)c2ccc(Cl)cc2Cl)n1 6372150 AAGUWZGVDYKPPY-UHFFFAOYSA-N 315.116 2.150 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69701273 CCKVSHCAASLNKK-CYBMUJFWSA-N 316.409 2.068 0 40 DEAB O=C(Nc1n[nH]c2ccccc12)c1n[nH]c(=O)c2ccccc12 65585658 NLZRAEIRNCWREW-UHFFFAOYSA-N 305.297 2.052 0 40 DEAB Cc1ccc([C@H](C)NC(=O)CNC(=O)c2cc(F)cc(F)c2)o1 65522782 QWCQKFMFJRTLSP-JTQLQIEISA-N 322.311 2.473 0 40 DEAB CC(C)(C)NC(=O)NC(=O)COC(=O)c1cc2c(s1)CCC2 4581384 GDPUJDZGXGAVLK-UHFFFAOYSA-N 324.402 2.018 0 40 DEAB Nc1cc(N)nc(SCc2cc(Cl)c3c(c2)OCCO3)n1 6831858 WNBAHXMNCJYSPX-UHFFFAOYSA-N 324.793 2.358 0 40 DEAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccncc1 8705931 VKCUBUBVCWJSNB-GFCCVEGCSA-N 312.325 2.468 0 40 DEAB Cc1cc(N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)nc(C(C)C)n1 9050419 VIGQSUCHFRWZEJ-OCCSQVGLSA-N 302.422 2.213 0 40 DEAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cn3ccccc3n1)C2=O 9216734 TYRJHFVPJSIKHA-SJCJKPOMSA-N 312.373 2.335 0 40 DEAB CC1CCC(NC(=O)[C@H](C)Sc2ncc(CO)n2C)CC1 96455735 AXJWXWXXIDFJHF-CXQJBGSLSA-N 311.451 2.088 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@H]2Cn2cccn2)CC1 71866654 UWJBGUCPNXQUAY-KRWDZBQOSA-N 318.465 2.242 0 40 DEAB C[C@H](C(=O)N1CCN2CCCC[C@@H]2C1)n1cnc2ccccc21 71841786 WDHSSYDYODTBJW-HUUCEWRRSA-N 312.417 2.294 0 40 DEAB Cc1nc([C@@H](C)NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cs1 72271589 SBYJXELIZNIEQY-BDAKNGLRSA-N 312.439 2.115 0 40 DEAB O=C(C[C@@H]1OCCc2sccc21)N[C@@H]1CCc2nccn2C1 72242387 YGQXZIGWZNDQCF-YPMHNXCESA-N 317.414 2.080 0 40 DEAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccccn1 97017930 GRVXYFOMHYRJJM-ROJDOSBLSA-N 308.337 2.133 0 40 DEAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ccc2c(c1)CCCC2 97002302 HOOQIFOXNNKVCZ-STQMWFEESA-N 321.442 2.213 0 40 DEAB Cn1cnc(-c2cccc(NC(=O)C[C@H]3CCCCO3)c2)n1 97084748 IHMHYSDDQSNOSO-CQSZACIVSA-N 300.362 2.380 0 40 DEAB Cc1cc(CNc2cc(NCc3cc(C)no3)ncn2)on1 97096929 UPRBCFIQFJENFY-UHFFFAOYSA-N 300.322 2.294 0 40 DEAB CCc1noc(C)c1Cn1ccc(C(=O)OC(C)C)cc1=O 97115327 PECHPLDFLCAUQK-UHFFFAOYSA-N 304.346 2.321 0 40 DEAB CC(C)(C)c1n[nH]cc1CNCCNC(=O)c1cccs1 97159614 ROHPGYHTYGVXPI-UHFFFAOYSA-N 306.435 2.288 0 40 DEAB CN(CCN1CCOCC1)C(=O)c1scnc1C1CCCC1 97115517 AQKQVOCBZKGJGW-UHFFFAOYSA-N 323.462 2.205 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)N(C)C[C@H]1CCCC[C@H]1O 97234236 DXQDCOMAPWUGSA-HUUCEWRRSA-N 322.453 2.232 0 40 DEAB CCOc1c(Cl)cc(Cl)cc1CNCCNC[C@H](C)O 22074851 BMDYVQUOFPIFOP-JTQLQIEISA-N 321.248 2.452 0 40 DEAB CCn1cc(C(=O)N[C@@H](C)COc2ccccc2OC)cn1 95397146 GTMCYUIWJXOUCP-LBPRGKRZSA-N 303.362 2.109 0 40 DEAB C[C@@H](c1ccco1)N(C)S(=O)(=O)c1cc(Cl)cnc1N 95433762 CLZPGPRXMVCJJR-QMMMGPOBSA-N 315.782 2.292 0 40 DEAB Cc1ccc(OC[C@@H](C)NC(=O)N(C)C[C@H]2CCOC2)cc1 95408147 CPTSGFQLJNNIBK-HUUCEWRRSA-N 306.406 2.440 0 40 DEAB CN1CCO[C@@H](CN(C(=O)CC2CCCC2)c2nccs2)C1 95402136 RASIFAMIMPWUAT-CQSZACIVSA-N 323.462 2.387 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H]3CCOC3)C2)nc1 95407288 CLPBCURHUPKUCS-GJZGRUSLSA-N 303.406 2.077 0 40 DEAB CCO[C@H](C)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 88242381 IPIJIGLAIBZJNC-GFCCVEGCSA-N 318.348 2.399 0 40 DEAB COC(=O)N1CCC[C@@H](C(=O)N(C)c2cc(F)ccc2F)C1 78611756 DXTSTJXVJZLALB-SNVBAGLBSA-N 312.316 2.406 0 40 DEAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nnn[nH]4)C3)cc2c1C 95976969 XSYGOJBJUDISQZ-GFCCVEGCSA-N 324.388 2.318 0 40 DEAB O=C(NCc1cc2ccccc2[nH]1)N1CCCC2(C1)OCCO2 95982090 FAQZXICODWUULG-UHFFFAOYSA-N 315.373 2.216 0 40 DEAB CCC[C@@]1(C)CCCN(C(=O)NCCCS(C)(=O)=O)C1 74200286 DHRCDAKATNGVPW-AWEZNQCLSA-N 304.456 2.033 0 40 DEAB CO[C@H](CNC(=O)N[C@@H]1CCC[C@@H]1O)c1ccc(Cl)cc1 74671967 CGORMDZAJUXVCI-HZSPNIEDSA-N 312.797 2.240 0 40 DEAB CC(C)[C@H]1CN(C(=O)c2ccc(C(N)=O)cn2)c2ccccc2N1 78998135 HXMXDTYOEYPQPJ-OAHLLOKOSA-N 324.384 2.277 0 40 DEAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1NCC1(N2CCCCC2)CCOCC1 89595006 VCASDZHAFUFHEY-KURKYZTESA-N 323.525 2.340 0 40 DEAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCC(C(N)=O)CC1 20035233 YPLCHKWPDFHWSM-INIZCTEOSA-N 318.417 2.185 0 40 DEAB Cn1cc(NC(=O)Nc2cc(F)ccc2-n2cccn2)cn1 78611676 DXQCYAURJDLSDS-UHFFFAOYSA-N 300.297 2.389 0 40 DEAB COc1ncccc1CNC(=O)c1cc(Br)c[nH]1 30305578 AKHVUEQJLOPZAT-UHFFFAOYSA-N 310.151 2.111 0 40 DEAB COCCn1ccc(NC(=O)NCCCNc2ccccc2)n1 77440469 JPGYTKCOXGQIGZ-UHFFFAOYSA-N 317.393 2.153 0 40 DEAB CC(C)N(CCN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391831 CWOWARLGPRVPDG-KRWDZBQOSA-N 319.449 2.457 0 40 DEAB CC1(C)OCC2(CO1)CN(C(=O)c1ccc3[nH]ccc3c1)C2 70971935 TVUJICLAYDGBBV-UHFFFAOYSA-N 300.358 2.393 0 40 DEAB O=C1NCCN1C(=O)NC[C@H](c1ccsc1)c1ccco1 675008006 LWQKBONWPHEARN-LLVKDONJSA-N 305.359 2.208 0 40 DEAB COc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC2CC2)n1 226002652 UKIUDZCGQXAPQB-JTQLQIEISA-N 321.450 2.313 0 40 DEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 41779712 WHOMHHRIBRRPNH-NSHDSACASA-N 322.361 2.131 0 40 DEAB COC(=O)c1cccc(NC(=S)NCCCN2CCCC2)c1 225434037 BDVQQAGYKYTFOH-UHFFFAOYSA-N 321.446 2.246 0 40 DEAB CCc1cnccc1CNC(=O)N1CCC[C@H](CC(=O)O)C1 574543869 HSIVSSVZMPXNBW-GFCCVEGCSA-N 305.378 2.040 0 40 DEAB C[C@](O)(CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccco1 75156236 WJEBQEWZLKOZIP-UABRLCRWSA-N 315.325 2.045 0 40 DEAB O=C(NCC1(O)Cc2ccccc2C1)c1c(F)cccc1F 225714658 ZLDSNOBYGODDSP-UHFFFAOYSA-N 303.308 2.225 0 40 DEAB CCN1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)CC1 222689772 IKPYIKCJFYVPKC-HNNXBMFYSA-N 316.445 2.497 0 40 DEAB C[C@H]1CCN(c2cc(N3CCSCC3)ncn2)CCS1 225492632 HWWYUFXUSDIHHJ-LBPRGKRZSA-N 310.492 2.362 0 40 DEAB Cc1nc(CCCNC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)n[nH]1 80973228 MYDZGOKPWYEKOT-RYUDHWBXSA-N 304.419 2.336 0 40 DEAB COc1ccc(C)cc1S(=O)(=O)NC[C@@H]1CCCS1 195356338 RPLPGOWXAITMAN-NSHDSACASA-N 301.433 2.178 0 40 DEAB Cc1nnc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccoc3C)C2)o1 96065659 MFXLNMVCYJGJOU-IACUBPJLSA-N 317.345 2.067 0 40 DEAB c1ccc(CN2CCC[C@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 96062969 JZBYUBQNIKTYPJ-MSOLQXFVSA-N 301.434 2.158 0 40 DEAB CC(C)N(C)[C@@H]1CN(C(=O)c2cscn2)C[C@@H]2CCCO[C@@H]21 97953434 CMYKFMOZPSNVFE-CFVMTHIKSA-N 323.462 2.103 0 40 DEAB Cc1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3=O)C2)o1 96057104 JQJVDXNPJZMNCS-LESCRADOSA-N 318.417 2.190 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@@](C)(O)c2ccc(C)o2)cn1 96440089 MRFOJVXUTCSAAQ-QGZVFWFLSA-N 317.389 2.041 0 40 DEAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1ccsc1)C2 96109161 LGWMZADRTIGGHK-WBVHZDCISA-N 322.474 2.455 0 40 DEAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1)C2 96056828 RNYCRENMPMGYFV-NVXWUHKLSA-N 304.390 2.129 0 40 DEAB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2cccnc2)COC1 96112527 RIZXTEZJUYURPA-AWEZNQCLSA-N 322.368 2.241 0 40 DEAB biogenic,in-vitro C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CC(C)(C)c1ccccc1 96412823 LAAHCPHPDDCJLK-UONOGXRCSA-N 323.458 2.388 0 40 DEAB CCOC[C@@H]1CN(Cc2scnc2C)Cc2cn(C)nc21 96068292 KZZQOQMXMXNTQP-ZDUSSCGKSA-N 306.435 2.321 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)C1 96227843 KPFBRMRCSPOHSJ-MRXNPFEDSA-N 318.465 2.327 0 40 DEAB Cc1cc(NC(=O)NCCN(C)C)nn1-c1ccc(F)cc1 96499981 VTBOVLVAJLXVGW-UHFFFAOYSA-N 305.357 2.003 0 40 DEAB Cc1noc(C)c1C(=O)N1CCc2ncnc(C3CC3)c2CC1 96255113 MANSSSODGNPQKU-UHFFFAOYSA-N 312.373 2.200 0 40 DEAB C[C@H](NC(=O)[C@@H](C)Sc1ncc(CO)n1C)c1ccccc1 96444639 XATZVKHQZBCVAQ-NWDGAFQWSA-N 319.430 2.270 0 40 DEAB COCC[C@H]1CO[C@@]2(CCCN(C(=O)Cc3ccncc3)C2)C1 96222099 QRYGFMPGHZFOLB-AEFFLSMTSA-N 318.417 2.058 0 40 DEAB Cc1cccc(C(=O)N2CC[C@]3(CCN3C[C@H]3CCCO3)C2)c1 248143689 GLVIVQROPZRUQB-MJGOQNOKSA-N 314.429 2.464 0 40 DEAB O=C(/C=C/c1ccccc1)N1CCOC[C@@H]1CCc1cnccn1 257257087 KOAYUNAWXNMGEE-YOCVDRLZSA-N 323.396 2.350 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3cnn(C)c3C)C2)n1 257279000 OENVIWZSTAEPCO-OAHLLOKOSA-N 315.421 2.099 0 40 DEAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2cnccn2)C1 257336274 YNSSEHFYABCKSW-CQSZACIVSA-N 313.405 2.032 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257248482 JDVVFHIXKZNJQE-CYBMUJFWSA-N 307.357 2.291 0 40 DEAB CS(=O)(=O)N1CCC[C@H](c2cccc(-c3nccs3)n2)C1 257247484 IZFLTQWGPCKQAM-NSHDSACASA-N 323.443 2.344 0 40 DEAB COCC1(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CCC1 252509704 YTOVKXKKXGQQID-GFCCVEGCSA-N 322.453 2.084 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@@H]1c1nc(C)cn1C 257298714 RMZCDIJSEATVGS-CQSZACIVSA-N 314.389 2.500 0 40 DEAB CCn1nc(C)c(CNCc2cc(C(F)(F)F)n(C)n2)c1F 256051734 KJMANDSJIVUFOP-UHFFFAOYSA-N 319.306 2.393 0 40 DEAB Cc1cc([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)on1 52009227 JMLOHYVBNKVEIA-LBPRGKRZSA-N 303.366 2.099 0 40 DEAB C[C@@H]1CN(CCCN2CCOC2=O)C[C@H](c2ccccc2)O1 68334039 NOMWZCFYSAILBI-GDBMZVCRSA-N 304.390 2.291 0 40 DEAB CN(CCNC(=O)Cc1ccc(F)cc1)C(=O)OC(C)(C)C 69517361 GRTYJVDIOMXCBH-UHFFFAOYSA-N 310.369 2.351 0 40 DEAB Cc1ncccc1C(=O)N[C@@](C)(C(N)=O)c1cccc(Cl)c1 95428007 GVHWCENIPDJDEO-MRXNPFEDSA-N 317.776 2.174 0 40 DEAB COC(=O)c1cc(CN2CC[C@](O)(C(F)(F)F)C2)c(C)s1 97014111 OOWCAIJLMJBYEO-GFCCVEGCSA-N 323.336 2.342 0 40 DEAB CCCNC(=O)CNC(=O)Nc1cccc(Br)c1 40023945 PZBNEWVFCCDRMN-UHFFFAOYSA-N 314.183 2.097 0 40 DEAB CN1CCN(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 1456877 TYMJGQWLVIICPY-JXMROGBWSA-N 301.434 2.276 0 40 DEAB C[C@@H](Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1)C(=O)O 12364889 XIRBRWFZIDGGSD-XNYAHFKXSA-N 307.327 2.205 0 40 DEAB NC(=O)N[C@@H](CC(=O)NCc1cccs1)c1ccccc1F 36396031 FDEWGVMGZPKALZ-ZDUSSCGKSA-N 321.377 2.303 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2cc(C3CC3)ncn2)cc1 1888857116 PQDUBNXPRRNKSN-UHFFFAOYSA-N 317.370 2.010 0 40 DEAB COC(=O)c1cc(NCC(=O)Nc2cc(C)on2)ccc1Cl 29942618 HYDFRDYSKRDNOQ-UHFFFAOYSA-N 323.736 2.474 0 40 DEAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCCCOC 4744913 NAUSDFOKDIXZAP-UHFFFAOYSA-N 321.826 2.362 0 40 DEAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1 10256325 LSZOMBPDTBKFNT-KRWDZBQOSA-N 323.396 2.464 0 40 DEAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)CC(=O)N2 17156324 AYTFHJHZBDGUTC-UHFFFAOYSA-N 300.289 2.338 0 40 DEAB Cc1cccc(NC(=O)C2CCN(c3cnccn3)CC2)c1O 96452138 WGGJOBIONJEWSH-UHFFFAOYSA-N 312.373 2.346 0 40 DEAB C[C@@H]1CCCN(CCCNC(=O)c2ccc3c(c2)CCO3)C1 40108095 XJJDVBKSHMVQBI-CQSZACIVSA-N 302.418 2.473 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](C(=O)O)C1 40288405 ANVPVSMGQOIKEV-AWEZNQCLSA-N 300.358 2.273 0 40 DEAB O=C1NCCC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CCC1 50635324 XPSVKHNBNKNTTO-ZDUSSCGKSA-N 306.793 2.157 0 40 DEAB CCc1ncc2c(n1)CN(Cc1cn3c(C)cc(C)nc3n1)CC2 70038777 KEIVMDCREKHOTO-UHFFFAOYSA-N 322.416 2.257 0 40 DEAB Cc1ccc(Cl)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1 2464026 FGSHRAFFCZPEKU-MNOVXSKESA-N 316.835 2.329 0 40 DEAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)NC(=S)N1 574636 DZLRLWVHIUXYNA-CQSZACIVSA-N 320.414 2.384 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)NCc2ccc(C(N)=O)cc2)cc1 36727756 SQMUZGZKSIPVRJ-CYBMUJFWSA-N 312.369 2.178 0 40 DEAB Cc1ccc(C)c(NC(=O)CN(C)[C@H](C)C(=O)N2CCCC2)c1 3444707 VOIOEKGQLXEOKU-OAHLLOKOSA-N 317.433 2.185 0 40 DEAB C[C@H](c1ccccc1)n1cc(C(=O)NCc2cccnc2)nn1 4092664 FINMIPDMUGRDNJ-CYBMUJFWSA-N 307.357 2.212 0 40 DEAB CCC[C@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 6946906 XCBXQSJMQKMLFU-STQMWFEESA-N 312.435 2.146 0 40 DEAB CN(C)[C@@H](CNc1nnnn1-c1ccccc1)Cc1ccccc1 8342201 YHWGRZYSBOGIOJ-QGZVFWFLSA-N 322.416 2.247 0 40 DEAB O=C(Nc1cccc(OC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 32769558 VBSUIGLURPAQSJ-GFCCVEGCSA-N 323.414 2.381 0 40 DEAB Cc1nc2ccc(C(=O)O[C@H]3C[C@@H](C)OC3=O)cc2nc1C 32741754 PJQCNYALAHONKP-CLAHSXSESA-N 300.314 2.107 0 40 DEAB Cc1sc2ncnc(N3CCN(C(=O)C4CC4)CC3)c2c1C 414455 XMLAZNOSKMLLGP-UHFFFAOYSA-N 316.430 2.367 0 40 DEAB Cc1ccsc1C(=O)NCc1ccccc1NS(C)(=O)=O 32931437 SMLUAGYMPYOBKW-UHFFFAOYSA-N 324.427 2.358 0 40 DEAB O=C(NCCCN1CCCC1=O)c1ccccc1OC(F)F 2793614 YFBURGGXQKDNTP-UHFFFAOYSA-N 312.316 2.030 0 40 DEAB O=C1CCc2cc(C(=O)NC[C@@H]3Cc4ccccc4O3)ccc2N1 33117002 GGVKITYMGUXHIV-HNNXBMFYSA-N 322.364 2.305 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)OCCO2 2701301 JGCSZJUZGUVMLG-UHFFFAOYSA-N 311.403 2.411 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)cc1C 26850294 VXYVQQPTJOCKOB-OAHLLOKOSA-N 319.430 2.393 0 40 DEAB c1csc([C@H](CNCc2ccncc2)N2CCOCC2)c1 61012643 HBKXZIDCIVIFNL-HNNXBMFYSA-N 303.431 2.306 0 40 DEAB O=C(NCC(=O)N1CCCC1)Nc1ccccc1OC(F)F 71901146 HRTMCUAPHUBGME-UHFFFAOYSA-N 313.304 2.032 0 40 DEAB CN(Cc1ccco1)C(=O)Cc1csc(N2CCCC2=O)n1 22753063 CLBZVYATQVWLJB-UHFFFAOYSA-N 319.386 2.064 0 40 DEAB CC(C)c1nn(C)cc1CNCCC(=O)NC1CCCCC1 54203394 HVIMOHNHEBEHCG-UHFFFAOYSA-N 306.454 2.472 0 40 DEAB CS(=O)(=O)C1(C(=O)Nc2ccc(Cl)nc2)CCCC1 78494509 VNHGLEJDJMGRHX-UHFFFAOYSA-N 302.783 2.031 0 40 DEAB CONC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 110693668 QQNFJUXJFAWURL-NWDGAFQWSA-N 301.749 2.085 0 40 DEAB CCc1nnsc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 24663689 KEZVZTXVEBSJMD-SNVBAGLBSA-N 319.386 2.013 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N(Cc1ccccn1)C(C)C 55277715 OUCQEHYHTJLQCG-UHFFFAOYSA-N 309.391 2.286 0 40 DEAB O=C(CSc1ccc(Br)cc1)N1CCOCC1 1400545 DDINPHOXRIYUGG-UHFFFAOYSA-N 316.220 2.400 0 40 DEAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 70173590 VGWDWRJGCNZLNI-ZJUUUORDSA-N 320.817 2.227 0 40 DEAB COc1ccccc1CC(=O)NCc1nncn1-c1ccccc1 47930759 LSWBSMTYCXYAPL-UHFFFAOYSA-N 322.368 2.135 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)N[C@H](C)CC(=O)c2ccccc2)C1 107366031 PVMJDLPCZOQIHZ-UONOGXRCSA-N 324.446 2.214 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H](c3cc(C)[nH]n3)C2)on1 107324124 LDKIKIALHZXRIW-OLZOCXBDSA-N 317.393 2.221 0 40 DEAB COc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@@H]3C2)cc1 107746658 GASPNUSGLRSTIH-MJGOQNOKSA-N 316.445 2.380 0 40 DEAB CO[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](C)(O)c1ccc(F)cc1 108362608 XGOXONIWEFFHKO-UXLLHSPISA-N 324.396 2.290 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 108501348 BCGAOYTWVCFKGX-VNHYZAJKSA-N 323.462 2.314 0 40 DEAB Cc1nc(C)c(CCC(=O)N(C)Cc2ccsc2)c(=O)[nH]1 57813499 CQWRKZPFTFLXNY-UHFFFAOYSA-N 305.403 2.039 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 44893997 SZEIBZYVVDNPLF-CYBMUJFWSA-N 317.414 2.259 0 40 DEAB NC(=O)NCCCC(=O)OCC(=O)c1ccc2ccccc2c1 3361888 NEOPXPXJQPASDJ-UHFFFAOYSA-N 314.341 2.014 0 40 DEAB COc1ccc(Cl)cc1NCCC(=O)NC[C@H]1CCCO1 58200947 NIFDMBMDHZXMNS-GFCCVEGCSA-N 312.797 2.446 0 40 DEAB CCOc1cc(CNC(=O)Nc2ccc(N(C)C)nc2)ccn1 44951537 QRTBGHOQMJEXNV-UHFFFAOYSA-N 315.377 2.263 0 40 DEAB CC(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@@H](C)C2)s1 44915421 MBMPVQLEYHJRNJ-SRVKXCTJSA-N 324.446 2.178 0 40 DEAB CCOc1cccc2c1OCC(C(=O)NC[C@@H]1CCCO1)=C2 44939200 RHDSBBQFBYCPRU-AWEZNQCLSA-N 303.358 2.156 0 40 DEAB C[C@H](OCC1CC1)C(=O)NCc1ccc(Cn2ccnc2)cc1 58341110 JGIBHRBYOHFOTP-AWEZNQCLSA-N 313.401 2.363 0 40 DEAB Cc1nc2cc(C(=O)N(C)CC(=O)OC(C)(C)C)ccc2n1C 58428764 KWIFOIVJMHXEIP-UHFFFAOYSA-N 317.389 2.295 0 40 DEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCc1ccccc1Cl)CS2 12874612 AULHSHKKEHGCRR-WFASDCNBSA-N 324.833 2.410 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)cn1 69875512 INXINBXGHUWZDC-CQSZACIVSA-N 313.336 2.413 0 40 DEAB CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1Cn1cccn1 69968655 ZQXKHSDYHBNSJD-OAHLLOKOSA-N 316.405 2.460 0 40 DEAB Cc1nc(CCNC(=O)N2CCC[C@@H](N3CCCC3)C2)cs1 65414305 UTCKAEOTHTYMGM-OAHLLOKOSA-N 322.478 2.264 0 40 DEAB C[C@](O)(CNCCn1cccn1)c1cccc(C(F)(F)F)c1 69901719 UHIWMWSBANXGHY-AWEZNQCLSA-N 313.323 2.399 0 40 DEAB C[C@@H](Sc1nnc(NCCc2cccs2)s1)C(N)=O 14022152 LOHHIHKEKQYPMD-SSDOTTSWSA-N 314.461 2.220 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)N(C)c2ccccc2)n1 5326884 KEJZOSHKYFNCOV-UHFFFAOYSA-N 307.357 2.312 0 40 DEAB CCOc1cc(CN(CC(N)=O)C2CC2)ccc1OC(F)F 14200972 WAAPVWGWAUCQGS-UHFFFAOYSA-N 314.332 2.136 0 40 DEAB CC(C)[C@H]1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 66498845 LAKCYVCYLSJWGM-INIZCTEOSA-N 317.364 2.437 0 40 DEAB COc1cc([C@@H]2SC=C3Sc4nncn4N32)ccc1O 20717040 ZWYVTEWEGFCYRO-NSHDSACASA-N 306.372 2.281 0 40 DEAB CC[C@]1(C)NC(=O)N(CC(=O)OCc2cccc(Cl)c2)C1=O 23876979 RMDVFOBZPHXCPW-HNNXBMFYSA-N 324.764 2.104 0 40 DEAB CCC[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1nnn[nH]1 89949562 BISGVGCSZAPHLR-STQMWFEESA-N 317.418 2.188 0 40 DEAB C[C@@H]1SCCN(C(=O)c2c[nH]c3ccccc3c2=O)[C@H]1C 89920043 RAYWHCKKTNGRAS-QWRGUYRKSA-N 302.399 2.494 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)no1 76044126 OIOKTAOHISAPSB-JSGCOSHPSA-N 313.357 2.299 0 40 DEAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(O)cc1)C2O 19323661 KBNGZCIUHXMRFL-UHFFFAOYSA-N 302.418 2.189 0 40 DEAB biogenic COc1ccc(CCNC(=O)NCC(C)C)c(OC)c1OC 69225652 LXVDNBJXYVMNEF-UHFFFAOYSA-N 310.394 2.210 0 40 DEAB Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2ccccn2)no1 96000596 NCMXNULOAOVDHY-LBPRGKRZSA-N 322.390 2.079 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 24256341 GMSHIHBRBLVHOX-UHFFFAOYSA-N 321.354 2.283 0 40 DEAB CC1=C2C[C@H]([C@]3(N)CC4(CC4)NC3=O)[C@H](O)C[C@@]2(C)CCC1 96336891 CZASCEJNNSBZGY-GARXJVFOSA-N 304.434 2.014 0 40 DEAB Cn1cc([C@H]2CCCN2CCC(=O)NC2CCCCC2)cn1 71797260 URAIKKWRFJOZKZ-MRXNPFEDSA-N 304.438 2.396 0 40 DEAB CCSc1ccc([C@H](C)NC(=O)CCS(C)(=O)=O)cc1 71799902 ITCDFQLDANHUOU-NSHDSACASA-N 315.460 2.411 0 40 DEAB Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@@H]1CCN(C(C)C)C1)C2 96430756 IVZZWMUOTUQCJI-YJBOKZPZSA-N 316.445 2.453 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(CC1(O)CCC(C)CC1)CC2 96424718 OCVZJWYMCWGSGR-VUROTCPHSA-N 311.466 2.180 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1Cc1nc(-c2cccs2)no1 9721365 OOQCIVOSGIJNAB-UHFFFAOYSA-N 318.358 2.163 0 40 DEAB Cc1ccc2nc(CN3CCO[C@H]4CCCC[C@@H]43)cc(=O)n2c1 71828208 RYJGRYAVSOFIGO-HOTGVXAUSA-N 313.401 2.146 0 40 DEAB Cc1nc(CN(C)C[C@@H]2CCCN2c2cccnn2)oc1C 71860057 MGWASJMRUYPOCB-AWEZNQCLSA-N 301.394 2.182 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)CCc1ccc(F)c(F)c1 78988371 HKPYOEBRFIOWIO-BZNIZROVSA-N 324.371 2.413 0 40 DEAB COc1c([C@H]2CCCN2C(=O)CC[C@H]2CCCO2)c(C)nn1C 72234372 BNKNQJXJVVILQD-ZIAGYGMSSA-N 321.421 2.360 0 40 DEAB CN1CC[C@@H](N(C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 72291882 BTSYOIPQMYFEJY-LLVKDONJSA-N 315.295 2.400 0 40 DEAB O=C(NCc1cccnc1)N[C@@H]1COc2cc(F)cc(F)c21 97085349 CMHLCPRHJBVBER-GFCCVEGCSA-N 305.284 2.293 0 40 DEAB c1cnc(NCCNCc2c[nH]nc2-c2cccs2)nc1 97160024 ILQBSKANFOYUFM-UHFFFAOYSA-N 300.391 2.130 0 40 DEAB COc1c(NC(=O)NC[C@H](C)c2ncc(C)s2)c(C)nn1C 97113570 DQQUZLNNCIFIFJ-QMMMGPOBSA-N 323.422 2.427 0 40 DEAB NC(=O)c1ccc(NC(=O)CCc2ccc(Cl)s2)cn1 84429101 UGCZEFINDBOSHH-UHFFFAOYSA-N 309.778 2.467 0 40 DEAB COc1ccc(Br)c(CSc2n[nH]c(N)n2)c1 87789273 UIYJQZLQNAFFBY-UHFFFAOYSA-N 315.196 2.450 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)NCC(=O)NC(C)(C)C)s1 95399464 HXBNDHNLIYNOQB-JTQLQIEISA-N 311.451 2.201 0 40 DEAB CC(=O)N1CSC[C@@H]1C(=O)N1CCc2cc(F)ccc2[C@H]1C 84718168 JWTVAQNXYPTICV-MEBBXXQBSA-N 322.405 2.193 0 40 DEAB O=C(NCc1ccc(-n2cncn2)cc1)N1C[C@@H]2CC=CC[C@H]2C1 73779580 QQDWCUJDDYFRLK-HOTGVXAUSA-N 323.400 2.375 0 40 DEAB COc1cc(=O)n(CCOC(C)(C)C)cc1Br 95979989 GJUAGCMLDWHZTO-UHFFFAOYSA-N 304.184 2.435 0 40 DEAB CS(=O)(=O)CCN1CCC[C@H](Oc2ccccc2Cl)C1 95973212 KHEKDGUFHLTVLG-LBPRGKRZSA-N 317.838 2.228 0 40 DEAB CC[C@H]1CN(C(=O)CSCC(N)=O)CC[C@@H]1c1ccccc1 74283512 MHDJOBGPGWMFOS-ZFWWWQNUSA-N 320.458 2.247 0 40 DEAB CC(C)[C@@H]1CN(C)CCN1C(=O)CSCc1cccnc1 75143260 NJGJAGMIMZCOFV-HNNXBMFYSA-N 307.463 2.113 0 40 DEAB O=C(NCCCn1ccnc1)c1cccc(Oc2ncccn2)c1 56907077 YFBXUQBCDIIXMH-UHFFFAOYSA-N 323.356 2.286 0 40 DEAB CCC12CN3CC(C)(CN(C1)C31CC(C)(C)NC(C)(C)C1)C2=O 31808928 JQAZTLQISWQKHH-UHFFFAOYSA-N 319.493 2.240 0 40 DEAB CN1CCN(C(=O)CCc2cc(Br)cs2)CC1 78655821 SLQPCBJWDGAFAN-UHFFFAOYSA-N 317.252 2.217 0 40 DEAB CC(C)CC[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1F 77920961 JIBOHRYFZUXCCR-MRXNPFEDSA-N 310.369 2.068 0 40 DEAB Cn1ccc(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)n1 79800541 GTZWUOHWKQMENP-GFCCVEGCSA-N 319.796 2.474 0 40 DEAB O=C(O)CSC[C@H]1CCN(C(=O)OCc2ccccc2)C1 79392115 QAVQRUMELPXJCP-ZDUSSCGKSA-N 309.387 2.463 0 40 DEAB O=C(CN1Cc2ccc(O)cc2C2(CC2)C1)NCC1CCC1 520679701 VFJZRBXEAUCKCP-UHFFFAOYSA-N 300.402 2.156 0 40 DEAB CCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225876692 MMOIIKRDLZMBDO-UHFFFAOYSA-N 322.430 2.064 0 40 DEAB CCN(CC)C(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 199418651 VELTWZWKODLKHG-INIZCTEOSA-N 312.369 2.141 0 40 DEAB CS(=O)(=O)N(CC(=O)NCC1=CCCCC1)c1ccccc1 223612984 ITXLXSHUTOVIIR-UHFFFAOYSA-N 322.430 2.069 0 40 DEAB CCOCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42646069 UHZCCFXAVPYXOK-UHFFFAOYSA-N 319.188 2.475 0 40 DEAB COC(=O)CSc1nnc(NC(=O)c2ccccc2C)s1 224526002 HZPDOFKICFAOAE-UHFFFAOYSA-N 323.399 2.364 0 40 DEAB Cc1nc(C(C)C)oc1C(=O)N1CCn2c(nnc2C2CC2)C1 328882914 MBMNTBHKOKJALJ-UHFFFAOYSA-N 315.377 2.231 0 40 DEAB COc1ccccc1OCc1nc2ccccc2n1CC(N)=O 40300918 ZTJUCMMLXKGCBG-UHFFFAOYSA-N 311.341 2.109 0 40 DEAB Cc1nnsc1C(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225788625 AWKJVINEFNGXQN-ZDUSSCGKSA-N 303.387 2.060 0 40 DEAB Cc1nn(C)c(C)c1OCC(=O)Nc1cc(C2CCCC2)[nH]n1 96466773 ZLPCSDMNUDPVDY-UHFFFAOYSA-N 317.393 2.435 0 40 DEAB O=C(Cn1ccnn1)Nc1ccc(-c2cn3ccccc3n2)cc1 95408417 KFTGMYWRHSRJNB-UHFFFAOYSA-N 318.340 2.232 0 40 DEAB Cc1ccc(CN2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)o1 96054167 PCUDKRWZXQFNDP-SJORKVTESA-N 314.433 2.275 0 40 DEAB CN(C)C(=O)CN1CCC[C@]12CCCN(Cc1cccs1)C2 96214877 MANWXQBPHMCVRI-KRWDZBQOSA-N 321.490 2.267 0 40 DEAB COc1ccc([C@@H](C)COC(=O)c2ccc(=O)n(C)c2)cc1 91898787 CDSAFTIPVSLWOJ-LBPRGKRZSA-N 301.342 2.354 0 40 DEAB Cn1cc(CN2CC[C@]3(CC(=O)N(c4ccccc4)C3)C2)cn1 96238419 JRGXSOCJBOYWJX-SFHVURJKSA-N 310.401 2.049 0 40 DEAB Cc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)no1 96425062 MTSODGZGICCVAA-ZIAGYGMSSA-N 314.341 2.174 0 40 DEAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccc(C)o4)C[C@@H]23)n1 96057250 KPTBUBJLKUGPIX-FMKPAKJESA-N 317.389 2.217 0 40 DEAB CCCn1nnnc1CSCc1cn2c(C)cccc2n1 96501501 CNAWAIHUJGILFY-UHFFFAOYSA-N 302.407 2.473 0 40 DEAB CCc1c(Cl)nc(C)nc1N[C@@H]1CCN(c2cnn(C)c2)C1 96429520 VIZFDMGBBNCJCB-LLVKDONJSA-N 320.828 2.425 0 40 DEAB Cc1ccc([C@@H]2[C@H](C(=O)Nc3cc(C)on3)CC(=O)N2C)cc1 96181357 OIRPJQOFSAYCFE-CZUORRHYSA-N 313.357 2.450 0 40 DEAB C[C@@H](C(=O)NC[C@@H](O)c1cccc(F)c1)N1CCCCCC1 96436250 ALYVNWIHNAWRDD-XJKSGUPXSA-N 308.397 2.240 0 40 DEAB O=C1N[C@@]2(C[C@H]3CC[C@H]2N3Cc2ccncc2)Nc2ccccc21 247846219 DISJTXFLJNDMLU-LSBZLQRGSA-N 320.396 2.370 0 40 DEAB O=C(c1cocn1)N1Cc2cccn2[C@@H](COc2ccccn2)C1 247853487 JOXROZNHBMIKOD-CQSZACIVSA-N 324.340 2.147 0 40 DEAB CO[C@@H]1CN(C(=O)CCc2ccccc2C)Cc2ccnn2C1 248170188 VHYWASHJGACQFA-QGZVFWFLSA-N 313.401 2.182 0 40 DEAB CCn1nc(C(=O)N2CCN(C)[C@@H](c3ccccc3)C2)cc1C 257303804 SITTUCXPAQFAAM-QGZVFWFLSA-N 312.417 2.340 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc(C)c(C)nc2O)n1 257335841 YMBWARNLFNHQTC-ZDUSSCGKSA-N 300.362 2.413 0 40 DEAB Cc1nc(N)cc([C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257307931 TUTILIXOUQMESC-CQSZACIVSA-N 322.372 2.221 0 40 DEAB COC(=O)c1ccc(NC(=O)NCC(F)(F)F)c(N(C)C)c1 284750158 SJSAYEMWKBJLRB-UHFFFAOYSA-N 319.283 2.223 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CC[C@@H](Oc2ccncn2)C1 575607532 URGYNROJKIONHN-CYBMUJFWSA-N 302.309 2.301 0 40 DEAB COc1c(C(=O)N[C@@H](C)CC(=O)c2cccs2)c(C)nn1C 95979589 HDLWMVKVZQPMRL-VIFPVBQESA-N 321.402 2.190 0 40 DEAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(=O)[nH]c1 71795992 JSHIMPOFENDDPQ-KRWDZBQOSA-N 305.337 2.289 0 40 DEAB CCOc1ccccc1N1CCN(C(=O)C2(O)CCCC2)CC1 78559219 FETLWIOIOMKTNN-UHFFFAOYSA-N 318.417 2.039 0 40 DEAB Cc1cccc2c1N(S(=O)(=O)c1ccn(C)n1)CC[C@@H]2C 563957071 FJSGULCQZQDANR-NSHDSACASA-N 305.403 2.431 0 40 DEAB CCCCNC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 5030690 KRRMBUMEORJLNI-OAHLLOKOSA-N 306.362 2.113 0 40 DEAB CC(=O)N1CC[C@H](C(=O)NC2(c3ccccc3)CCCC2)C1 19747687 AHMAMFQXCPKBBR-HNNXBMFYSA-N 300.402 2.441 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 169616475 ISDSLAVHEPKUHD-ODICJLLRSA-N 323.348 2.031 0 40 DEAB Fc1cnc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)nc1 1888844151 QQJSOCWFPGRYKP-LLVKDONJSA-N 315.352 2.188 0 40 DEAB CSc1ncc(C)c(N2CCN(Cc3cc(C)on3)CC2)n1 1888859373 ZKGOFBMESXRZGK-UHFFFAOYSA-N 319.434 2.126 0 40 DEAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)[C@H]1CCOC1 1888900966 PBTIDBQVFRZLBJ-QWRGUYRKSA-N 307.371 2.194 0 40 DEAB O=C(CSc1ccc(F)cc1)N1CC(Nc2ncccn2)C1 238828744 FJWKIZYACKDLRZ-UHFFFAOYSA-N 318.377 2.031 0 40 DEAB CCOC(=O)NC1CCN(c2ncnc3c2CCCC3)CC1 252501692 UHXLHAPCUOMFAS-UHFFFAOYSA-N 304.394 2.070 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c1 2710794 PHDRPUCBONLQPS-VXGBXAGGSA-N 320.414 2.121 0 40 DEAB O=C(c1cccs1)N1CCC(N2C(=O)CSC2=O)CC1 206978873 WCWYNJXPQVKCDQ-UHFFFAOYSA-N 310.400 2.048 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCC[C@@H](CCO)c1ccsc1 575619931 GZZBTYKXTWALRN-ZDUSSCGKSA-N 321.446 2.385 0 40 DEAB CC1CCC(NC(=O)Nc2ccc(-n3cnnn3)cc2)CC1 40103628 JGZBGJUBNXGXQP-UHFFFAOYSA-N 300.366 2.363 0 40 DEAB O=C(/N=c1\sccn1Cc1ccccc1)c1ccc[nH]c1=O 31088732 XJOFGFJXXGYBKQ-VLGSPTGOSA-N 311.366 2.027 0 40 DEAB Cc1nc(/C=C/C(=O)N2CCN(c3nccs3)CC2)cs1 11188264 HCFRNHBBVKOGQY-NSCUHMNNSA-N 320.443 2.270 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2ccccc2N)CC1 386718 NFJKQBOJTUYDEZ-UHFFFAOYSA-N 311.385 2.240 0 40 DEAB Cc1nnc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)s1 40526502 AVZSQJKLYKCWTH-JTQLQIEISA-N 312.782 2.355 0 40 DEAB c1ccc(-n2nnnc2NCc2ccccc2-n2cccn2)cc1 69382253 NVDFXJBNBIVSIO-UHFFFAOYSA-N 317.356 2.460 0 40 DEAB COCc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C=C(C)N2 100857884 GXLGOIHTGOJYHE-GFCCVEGCSA-N 316.361 2.360 0 40 DEAB COC(=O)[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 69530846 RKCYVUZXBAQXKQ-INIZCTEOSA-N 301.317 2.399 0 40 DEAB O=C(c1ccnc(Cl)c1)N1CCC(C(=O)N2CCCC2)CC1 29599250 OLWBXMMCHYLWGB-UHFFFAOYSA-N 321.808 2.210 0 40 DEAB O=C(Cc1noc2ccccc12)NCCc1cn2ccccc2n1 21136107 YREZJVDWJOLCDE-UHFFFAOYSA-N 320.352 2.377 0 40 DEAB COc1cc(OC)nc([C@H](SCCN)c2ccccc2)n1 1741991 XQOUJVGEKAZBMJ-CQSZACIVSA-N 305.403 2.275 0 40 DEAB CCC[C@H]1NC(=O)N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 8130780 LTZNWWADXRBLEN-JOYOIKCWSA-N 323.780 2.388 0 40 DEAB COC(=O)c1ccc(CNC(=O)NCCc2ccco2)cc1 32862475 IMPGWJYHQLFHLC-UHFFFAOYSA-N 302.330 2.108 0 40 DEAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1cccc(C(F)(F)F)c1 32994801 WVICFEWPABXZMF-LLVKDONJSA-N 317.311 2.015 0 40 DEAB CS(=O)(=O)N1CCS[C@@H]1c1ccc(Br)cc1 539192 JOABKIWMBHCLOM-SNVBAGLBSA-N 322.249 2.456 0 40 DEAB CCn1cnnc1CNC(=O)N(C)[C@H](C)c1ccccc1OC 46965140 DRNLOMHBZUJPIH-GFCCVEGCSA-N 317.393 2.209 0 40 DEAB CC(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)n(C)c1 42060242 SIEIMXOUIYEBEA-SNVBAGLBSA-N 314.341 2.447 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2C)ccc1C 52410415 BESAAZJAABNSRH-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB C[C@@H](CNC(=O)NCc1ccccn1)N1CCc2ccccc21 47596185 RZUIACVOEABZHJ-AWEZNQCLSA-N 310.401 2.332 0 40 DEAB CCc1c(C(=O)N2CCO[C@@H](C)C2)cnn1-c1ccc(F)cc1 24795166 ZKDDUMHKLYVYOA-LBPRGKRZSA-N 317.364 2.435 0 40 DEAB C[C@@H](C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1)n1ccnc1 106135159 IRGAOAOQQCTCGN-HLLBOEOZSA-N 312.417 2.396 0 40 DEAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]1C1CCCC1 56034907 BCDZYVCLTNKIDT-HNNXBMFYSA-N 311.385 2.489 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(C)cn1 69457174 YYLDUOWVNAFFPO-MRXNPFEDSA-N 309.369 2.302 0 40 DEAB NC(=O)NC(=O)CN(Cc1cccs1)c1ccc(F)cc1 69454906 LDAUWSPFVPWOPL-UHFFFAOYSA-N 307.350 2.089 0 40 DEAB Cc1cnc2c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cccc2c1 26111624 YPEBWGAPQFQRDX-STQMWFEESA-N 320.414 2.341 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)c1C 1892732 HFJRTNXFFHTUOE-UHFFFAOYSA-N 308.337 2.471 0 40 DEAB COc1ccc([C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C2CC2)cc1 44403508 KANBLQFJAHBCEF-YOEHRIQHSA-N 316.401 2.131 0 40 DEAB CC(C)(C)CCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 27364772 FAEXPZVALGWCFR-UHFFFAOYSA-N 324.446 2.393 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1cccc(O)c1 58278967 INSMMXNDUPPDEH-SJCJKPOMSA-N 313.353 2.279 0 40 DEAB CN1CCN(c2ncccc2CNC(=O)C2CCCCC2)CC1 58264101 VFFWHQNUEGCHKL-UHFFFAOYSA-N 316.449 2.030 0 40 DEAB Cc1noc([C@@H](C)NC(=O)Cc2coc(-c3ccccc3)n2)n1 58246338 MWYRXRDDKDZDMA-SNVBAGLBSA-N 312.329 2.453 0 40 DEAB C[C@@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)[C@H]1CCCO1 44910413 XPJIITYFEKWMIS-TZMCWYRMSA-N 320.389 2.167 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccn(Cc2ccccc2)n1 44973477 JJFFXOBQZZQMQX-CQSZACIVSA-N 324.388 2.338 0 40 DEAB CCN(Cc1ccco1)C(=O)c1ccc2c(c1)OCC(=O)N2 44909322 UCHJOYQXFNUJHN-UHFFFAOYSA-N 300.314 2.273 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)cn1 58308897 OBABGPYQYMQHHZ-BFYDXBDKSA-N 317.433 2.104 0 40 DEAB Cc1nc(CCNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cs1 48273286 WARBTCBPDAZDDM-BONVTDFDSA-N 318.398 2.339 0 40 DEAB COc1cc(NC(=O)c2cccc(C(N)=O)c2)cc(OC)c1 28273555 VLYOZRGJWIVRNW-UHFFFAOYSA-N 300.314 2.055 0 40 DEAB C[C@H](Nc1ccc2nncn2n1)c1ccc2c(c1)CCC(=O)N2 48345564 KGQVLUVRRPYKHG-JTQLQIEISA-N 308.345 2.182 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)cc1C 3640289 ACLMWFPQMKPHMS-UHFFFAOYSA-N 308.337 2.471 0 40 DEAB Cc1cc(OCC(=O)N2CC[C@](C)(C(=O)O)C2)ccc1Cl 62913712 HXSWSXNJJVIXTO-HNNXBMFYSA-N 311.765 2.350 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 13260798 KOPVNRDADVWBHT-JQWIXIFHSA-N 323.776 2.214 0 40 DEAB COc1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1 4168125 IEMKDYQWKYXQRQ-UHFFFAOYSA-N 319.382 2.249 0 40 DEAB CC1=CC(C)=Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N1 6708257 UKGZVOIVQGINJC-UHFFFAOYSA-N 321.402 2.129 0 40 DEAB O=C1NC2(CCCCC2)C(=O)N1Nc1ncnc2sccc12 5937554 GQRDWEMXBZKTGC-UHFFFAOYSA-N 317.374 2.273 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)NC1CC1)c1cccs1 5938226 YXEWAVKUBKZQMO-AWEZNQCLSA-N 314.410 2.368 0 40 DEAB NC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 7459058 NKRGMIUMJUTCNR-UHFFFAOYSA-N 303.337 2.178 0 40 DEAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1 68425185 ZXHHWFKJIXZNGP-UONOGXRCSA-N 310.357 2.047 0 40 DEAB O=C(COC(=O)c1ccoc1)Nc1nnc(-c2ccccc2)o1 16157305 AASXVVVFMYFAFR-UHFFFAOYSA-N 313.269 2.125 0 40 DEAB NC(=O)COc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 9253344 FCHATYMTPNCDBP-UKRRQHHQSA-N 316.401 2.203 0 40 DEAB Cc1cccc(OCCNC(=O)c2c(C)nn(C)c2Cl)c1 22324415 MLCKRTJBYJVCPP-UHFFFAOYSA-N 307.781 2.499 0 40 DEAB CNC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 71144425 YGFDUEPSVFBFSX-VIFPVBQESA-N 323.245 2.223 0 40 DEAB O=C1CC[C@@]2(C(=O)NCc3ccc(Cl)cc3)SCCN12 9478255 IOWSVVJPEHHUMN-AWEZNQCLSA-N 310.806 2.022 0 40 DEAB Cc1cnc(C(=O)N(CCc2ccccc2)[C@H]2CCOC2)cn1 96460215 YNVBHKIUGYLQRE-INIZCTEOSA-N 311.385 2.259 0 40 DEAB Cc1ccsc1CN(C)Cn1nc(C)c2c(C)onc2c1=O 71855327 DLXYSUNACJDCAF-UHFFFAOYSA-N 318.402 2.461 0 40 DEAB NC(=O)c1ccc(OCC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 71844391 HEZNAFKJOHBHTG-MRXNPFEDSA-N 324.380 2.180 0 40 DEAB CCNC(=O)N1CC[C@H](NC(=O)N2C[C@@H](C)c3ccccc32)C1 89977434 AGYXUZXZRQDYGH-OLZOCXBDSA-N 316.405 2.124 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)nc1C)CC2 89986447 FYJBTESDVHDDKV-HZPDHXFCSA-N 318.417 2.091 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1C 72282065 VJKIMNFBUXMBDH-OAHLLOKOSA-N 314.389 2.463 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cccnc3)C2)s1 97015866 RODZPGMQPSMBKM-ZDUSSCGKSA-N 324.427 2.294 0 40 DEAB CC[C@@H](CO)NC(=O)Nc1cnn(-c2ccccc2Cl)c1 72303951 YTJJVTOKZXDUPU-JTQLQIEISA-N 308.769 2.418 0 40 DEAB Cc1nc(NC(=O)CN2CCn3c(nc(C)c3C)C2)sc1C 97201145 FYKPUKGCYRJGRD-UHFFFAOYSA-N 319.434 2.028 0 40 DEAB Cc1ccc(OC[C@@H](O)CN2CCC(c3cn[nH]c3)CC2)cc1 97202646 TXMMATJBGSVBDC-KRWDZBQOSA-N 315.417 2.337 0 40 DEAB CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 76017145 LIRGRDGGJKZMGH-OCCSQVGLSA-N 320.389 2.192 0 40 DEAB O[C@@]1(CNCC2(c3ccc(F)cc3)CCCC2)CCCNC1 72478364 BFTGUQNHRSMGLX-SFHVURJKSA-N 306.425 2.342 0 40 DEAB CCC[C@@H](C)NCc1ccc(OCC(=O)NCC)c(OC)c1 72659306 VQTQUDOXLOSNAI-CYBMUJFWSA-N 308.422 2.488 0 40 DEAB OCCOc1ccc(NCc2ccccc2-n2cccn2)cn1 95436173 CVESIUFAXHMHOQ-UHFFFAOYSA-N 310.357 2.251 0 40 DEAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)Nc1cc(-c2nccn2C)n[nH]1 95430465 WPUVSQCGQQWGMJ-TUAOUCFPSA-N 316.409 2.010 0 40 DEAB COC[C@@H]1CCCN1S(=O)(=O)Cc1ccc(F)c(Cl)c1 95439776 GKIRIVLMKRUHFT-NSHDSACASA-N 321.801 2.420 0 40 DEAB O=C(c1cnsn1)N(CCCO)[C@@H]1CCc2ccccc21 95465374 QMJPQCLYBWWNIV-CQSZACIVSA-N 303.387 2.050 0 40 DEAB O=c1[nH]c(NCCn2cnc3ccccc32)nc2ccccc12 97995100 IESYMXNXUPLTED-UHFFFAOYSA-N 305.341 2.385 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1ccncc1 78880264 AVHDQNJCRGGLDN-DOTOQJQBSA-N 300.406 2.299 0 40 DEAB COc1ccc(CN2CCN(c3ncc(Cl)cn3)CC2)cc1 95963386 IPQJFXBFPDYALF-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB Cn1cc(C(=O)C[C@@H]2CCCN2c2ncc(Cl)cn2)cn1 95994788 GYRCVOVTSUELSE-LBPRGKRZSA-N 305.769 2.105 0 40 DEAB CCS[C@H]1CC[C@@H](N(C)C(=O)CNC(=O)c2ccoc2)C1 95966669 LUNKQQFIKHWGAU-OLZOCXBDSA-N 310.419 2.142 0 40 DEAB CCc1cc(=O)[nH]c(CN2CC[C@H](c3ccccc3OC)C2)n1 89282855 UGFIUKGPPLYNEY-ZDUSSCGKSA-N 313.401 2.330 0 40 DEAB Cc1cc(N(C)C)ccc1NC(=O)N[C@H](C)c1nncn1C 79464948 GUMRFNZHQGZSPW-LLVKDONJSA-N 302.382 2.072 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1cccc(Br)c1 22073365 DTGFLJZBBBWDPV-UHFFFAOYSA-N 322.118 2.190 0 40 DEAB CC(=O)c1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(F)c1 170855100 QNVCRUAJNVDYNB-GHMZBOCLSA-N 309.337 2.043 0 40 DEAB CO[C@@H]1CCN(c2cc(C(C)C)nc3ncnn23)CC1(C)C 514840191 SOSIOWKYPLZRDY-CYBMUJFWSA-N 303.410 2.499 0 40 DEAB COc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)n[nH]2)c1 32610846 MTKYFCYANUAAQF-RYUDHWBXSA-N 315.373 2.335 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)C(=O)O)cc1 73641555 NRYHMEPMIBBCHN-UHFFFAOYSA-N 319.338 2.063 0 40 DEAB CC(=O)N1CCCC[C@H]1CCc1cc(N2CCCC2)ncn1 72364639 ZJCMVFYYCMWNEH-INIZCTEOSA-N 302.422 2.410 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N1CCC(c2cnccn2)CC1 72384905 TZSWBXNSGFRYIU-UHFFFAOYSA-N 321.377 2.184 0 40 DEAB Cc1ccc(C(=O)Nc2c(C(=O)N(C)C)nn(C)c2C)cc1C 72250624 GZJLRRHIWKAMRR-UHFFFAOYSA-N 314.389 2.299 0 40 DEAB COc1ccc(C[C@](C)(O)CNC(=O)Cc2cccs2)cc1 75155515 YDHZXOISUZWVRK-KRWDZBQOSA-N 319.426 2.409 0 40 DEAB COc1cccc2c1ccn2CCC(=O)N[C@H](C(=O)O)C(C)C 40312604 JBZKZMZAGWHHLS-INIZCTEOSA-N 318.373 2.265 0 40 DEAB biogenic CCCNC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 40161272 QPKGEQAPJPPITH-UHFFFAOYSA-N 311.407 2.003 0 40 DEAB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1cccc(N(C)C(C)C)c1 81628139 OVDBNXGZZLYIQJ-ZDUSSCGKSA-N 320.437 2.377 0 40 DEAB COc1cccc2c1CCC[C@H]2NC[C@@H](C)N1CCN(C)CC1 194884660 CMRBIFUJNTUGED-CRAIPNDOSA-N 317.477 2.298 0 40 DEAB Cc1cc(C)n(CC2CCN(C(=O)[C@@H]3CCC[C@H](N)C3)CC2)n1 195560502 IVJXFXAKSABSMJ-SJORKVTESA-N 318.465 2.256 0 40 DEAB Cc1nnc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)s1 96192539 AKCSTLZSOVQDTH-CQSZACIVSA-N 302.359 2.368 0 40 DEAB CCS(=O)(=O)N1CC[C@]2(CCN(Cc3ccccc3C)C2)C1 96203104 VSLGAWHSCNYZMO-KRWDZBQOSA-N 322.474 2.243 0 40 DEAB Cc1cccc2c(NC[C@H]3CCN(S(C)(=O)=O)C3)ccnc12 95435639 SQAIJGZIRFSFNI-CYBMUJFWSA-N 319.430 2.237 0 40 DEAB Cn1cnc(CCNC(=O)N[C@@H]2CCc3ccc(F)cc32)c1 577068903 ITYSBNCTIWGDIT-OAHLLOKOSA-N 302.353 2.088 0 40 DEAB Cc1ccc(C(=O)Nc2cc(Br)c(=O)n(C)c2)cn1 96461656 AGDOSRBAQHGEIJ-UHFFFAOYSA-N 322.162 2.104 0 40 DEAB CCO[C@H](C)c1noc(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)n1 96456320 RSMKCOFYRHXWJC-UPJWGTAASA-N 322.409 2.499 0 40 DEAB Brc1ccc(N2CCC(Cn3ccnn3)CC2)nc1 96483915 VPSNVARKOSZTDS-UHFFFAOYSA-N 322.210 2.352 0 40 DEAB CN1CC[C@H](N(C)C(=O)c2c[nH]cc2-c2ccc(F)cc2)C1=O 96426560 WYHKLTVCMHQRFK-HNNXBMFYSA-N 315.348 2.124 0 40 DEAB Cc1c(CNc2ccc(C(=O)N3CCCCC3)nc2)cnn1C 97376076 OAPVDNUPGPECJN-UHFFFAOYSA-N 313.405 2.362 0 40 DEAB Cc1ncn(C[C@@H](O)COc2ccccc2C(C)C)c(=O)c1C 97238485 ADVHXFAVZSSWFE-OAHLLOKOSA-N 316.401 2.423 0 40 DEAB COCCN1CCC2(CCN(Cc3ccsc3)CC2)C1=O 96046792 ONRDRTGIKSXNLW-UHFFFAOYSA-N 308.447 2.209 0 40 DEAB COc1c(NS(=O)(=O)c2cc(C)ccc2C)c(C)nn1C 96407103 PUFZPENTKBMXEN-UHFFFAOYSA-N 309.391 2.155 0 40 DEAB O=C(C1CC1)N1C[C@H](OCc2nc3ccc(F)cc3[nH]2)[C@H](F)C1 96112037 PLCQFBGYYXCZOS-RISCZKNCSA-N 321.327 2.178 0 40 DEAB biogenic,in-vitro C[C@H](NCC[C@@H]1CCCN1C)C1(N2CCOCC2)CCCC1 97101748 KXKQVNNSHDEDTM-IRXDYDNUSA-N 309.498 2.094 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2c(Cl)cccc2Cl)C1 41132022 VWNIGNWYMSLIHH-MOVJSRMASA-N 313.184 2.340 0 40 DEAB Clc1cccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)c1 257324056 WMYIVDONHAOWGC-OAHLLOKOSA-N 307.781 2.346 0 40 DEAB Cc1cc(N)cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257209984 BSQUSXOMNCJDKT-OAHLLOKOSA-N 317.414 2.176 0 40 DEAB CCC[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)O)n1 263573472 MKBHZPGKRFTXPS-MRXNPFEDSA-N 306.362 2.201 0 40 DEAB CC(C)c1ccc([C@@H](N)CNC(=O)c2csc(CN)n2)cc1 262523998 ZGQGVAKUTUGCLJ-ZDUSSCGKSA-N 318.446 2.155 0 40 DEAB CC(C)(C)OC(=O)NCc1nnc2n1C[C@H](C(F)(F)F)CC2 372136703 CCXSWAYXECDRLI-MRVPVSSYSA-N 320.315 2.428 0 40 DEAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 585100775 WEAYWSTWSSEAGD-MAUKXSAKSA-N 323.481 2.157 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1CCc2ncnn2C1 69520972 ANCCZKCZBTZQHA-OAHLLOKOSA-N 322.416 2.185 0 40 DEAB COCc1cc(=O)n(Cc2ccccc2C)c(N2CCCC2)n1 65307452 GBNMFZXBUDPPOL-UHFFFAOYSA-N 313.401 2.347 0 40 DEAB COC(=O)[C@@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1C 12789226 TZANOMPQFNWGMS-GFCCVEGCSA-N 302.330 2.207 0 40 DEAB Cc1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1 19946046 GHWXYKGSAQMELB-UHFFFAOYSA-N 318.398 2.400 0 40 DEAB Cc1nc(C)c(C(=O)N2CCc3nc4ccncc4cc3C2)o1 12222905 WZIOBZQVBCSNOF-UHFFFAOYSA-N 308.341 2.433 0 40 DEAB CCN(CC(=O)O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 242463482 DCTWZEYWHMPMAK-HAQNSBGRSA-N 300.399 2.229 0 40 DEAB COC(=O)c1ccc(CSc2nnc(N)n2C2CC2)cc1 31852524 MBEVOSCSCSMUNL-UHFFFAOYSA-N 304.375 2.274 0 40 DEAB C[C@H](Cn1cccn1)NCc1cc(Cl)c2c(c1)OCCO2 35272218 JZLBQZKQSQGQMU-LLVKDONJSA-N 307.781 2.486 0 40 DEAB Cc1nnc(NS(=O)(=O)c2ccc(F)c(Cl)c2)s1 83955927 AVZLGKJBMQWHCO-UHFFFAOYSA-N 307.759 2.440 0 40 DEAB Cc1ccc(C)c2c1s/c(=N\C(=O)C1=COCCO1)n2C 100823910 XPLCXHXLSMYUGV-NXVVXOECSA-N 304.371 2.172 0 40 DEAB CSc1cccc(C(=O)Nc2nnc(-c3ccn(C)n3)o2)c1 36700465 ZNCBKQYKMNKHIV-UHFFFAOYSA-N 315.358 2.444 0 40 DEAB COC(=O)N1CCC(CNC(=O)NCCc2ccccc2)CC1 43982832 WOBHWLWERPNPGZ-UHFFFAOYSA-N 319.405 2.007 0 40 DEAB Cn1cc(-c2cncc(CNC(=O)Nc3nccs3)c2)cn1 575615476 FDBKTZGBBFJIMJ-UHFFFAOYSA-N 314.374 2.260 0 40 DEAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 45586928 RSMQQTKEDSZOSK-NSHDSACASA-N 324.808 2.140 0 40 DEAB OCCN1CCC(CNCc2ccc(Cl)c(F)c2)CC1 69415282 ORFRYDDGPJQERC-UHFFFAOYSA-N 300.805 2.273 0 40 DEAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1nncs1 40525220 GPZRDRVSLIMACG-UHFFFAOYSA-N 318.402 2.408 0 40 DEAB COc1ccccc1CC(=O)OCC(=O)NCc1ccccc1 28829335 JGKCBCLRVZXOBG-UHFFFAOYSA-N 313.353 2.097 0 40 DEAB Cc1ccc(C(=O)C(=O)Nc2cccnc2-n2cccn2)cc1 31950987 FVZVOBMVPJZSIK-UHFFFAOYSA-N 306.325 2.397 0 40 DEAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 256934 DEAVWQSRBJQFEW-GHMZBOCLSA-N 305.330 2.303 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)o1 69437588 OIHJGANWVVEKKN-UHFFFAOYSA-N 303.362 2.151 0 40 DEAB O=C(CCNC(=O)c1ccoc1)NCc1ccccc1Cl 32655628 SSPIYSVEZNELPJ-UHFFFAOYSA-N 306.749 2.369 0 40 DEAB CCOC(=O)c1ccc(Cn2nnc(-c3ccsc3)n2)o1 91578643 YBYDMQDWZYAEKA-UHFFFAOYSA-N 304.331 2.220 0 40 DEAB CC(C)(C)c1cnc(CN2CCN(c3ncccn3)CC2)o1 41646382 QRXWWJCTSRWTME-UHFFFAOYSA-N 301.394 2.084 0 40 DEAB Cn1nccc1-c1ncc(-c2cc(C(=O)O)n(CC3CC3)c2)cn1 106778300 LPOJXNDPTPGDTG-UHFFFAOYSA-N 323.356 2.454 0 40 DEAB O=C(NCCS(=O)(=O)c1ccccc1)c1ccc(F)cc1 47386048 YYRKGAGAUNBHLC-UHFFFAOYSA-N 307.346 2.029 0 40 DEAB COCCN(C)CC(=O)N1CC[C@@H](C)Sc2ccccc21 54354253 UOERABJTIAGWQZ-CYBMUJFWSA-N 308.447 2.482 0 40 DEAB FC(F)(F)c1ccc(N2CCN(c3ncccn3)CC2)nc1 23674874 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CC[C@@](C)(O)CNC(=O)Nc1ccc(OCCOC)c(F)c1 66160964 OSHQFPAFZQATQZ-OAHLLOKOSA-N 314.357 2.133 0 40 DEAB CC(C)[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 66498844 LAKCYVCYLSJWGM-MRXNPFEDSA-N 317.364 2.437 0 40 DEAB O=C(NCCOc1ccccc1)NCCOc1ccccc1 5938105 KGNMSWLMUCLTCK-UHFFFAOYSA-N 300.358 2.444 0 40 DEAB COCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 18257608 TYHOWAMEOQUOQH-UHFFFAOYSA-N 310.353 2.128 0 40 DEAB Cn1ccnc1SCCNC1CCC2(CCNCC2)CC1 67490503 FCTCBFPHGDFWHS-UHFFFAOYSA-N 308.495 2.414 0 40 DEAB CCCc1ccc(C(=O)NC[C@@H]2CCN(CCOC)C2)cc1 68477399 CALWUIGRQNTCCU-INIZCTEOSA-N 304.434 2.337 0 40 DEAB O=C(CCNC(=O)c1ccco1)Nc1ccc(F)c(F)c1F 9366626 SYSGIRBOKXRIOY-UHFFFAOYSA-N 312.247 2.456 0 40 DEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccn1 9479878 IBMPOASZSGEPAZ-UHFFFAOYSA-N 316.313 2.138 0 40 DEAB Cc1ccc(-n2nnnc2N[C@@H](C)COCC(F)(F)F)cc1 71836860 NQPACBZCYLHUNH-JTQLQIEISA-N 315.299 2.350 0 40 DEAB O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCCn2ncnc21 71839383 TZXJKQYHSVQADR-GJZGRUSLSA-N 312.373 2.183 0 40 DEAB 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309.343 2.175 0 40 DEAB Fc1ccc2nc(CN3CC[C@@H](CN4CCOCC4)C3)oc2c1 84459489 ALPRDIFOLHECKK-ZDUSSCGKSA-N 319.380 2.121 0 40 DEAB CC(C)n1cnc(S(=O)(=O)N2CCc3cccc(F)c32)c1 95435901 JZSTZFNTULWIHH-UHFFFAOYSA-N 309.366 2.355 0 40 DEAB Cc1ccc2cccc(C(=O)NCc3c(C)c(C)n[nH]c3=O)c2n1 95400546 AKIRUJDZRVXLPR-UHFFFAOYSA-N 322.368 2.173 0 40 DEAB Cn1ccnc1CNCCNc1ncc(Cl)cc1Cl 78989921 HDEHRCDFGCJUIO-UHFFFAOYSA-N 300.193 2.324 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)C[C@@H](O)c1ccc(F)cc1 95954931 VWEUYDIQIKTAQC-CQSZACIVSA-N 313.350 2.079 0 40 DEAB CN(CCn1cnnc1)Cc1sccc1Br 95965204 UWRQLWNTUDQHRX-UHFFFAOYSA-N 301.213 2.234 0 40 DEAB Cc1c(C(=O)NCCCCC(=O)O)cnn1-c1ccccc1 95970553 LTTDLBAFZVMIMU-UHFFFAOYSA-N 301.346 2.165 0 40 DEAB FC(F)(F)CN1CC[C@H](NCCc2ccc3c(c2)CCO3)C1 88723883 XXKWKLIJJWZXLQ-AWEZNQCLSA-N 314.351 2.390 0 40 DEAB COCCC1(CNC(=O)NC2CCN(C3CC3)CC2)CCC1 89410104 YLRMZZQLNCGUEZ-UHFFFAOYSA-N 309.454 2.119 0 40 DEAB Cc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)C(C)C)[nH]1 89568595 QOPBCTVBBNDWPV-CHWSQXEVSA-N 323.462 2.307 0 40 DEAB Cc1ccc(SCC(=O)N2CCC[C@@H](c3nnn[nH]3)C2)cc1 89639212 OMIFRJSCPYFFKD-GFCCVEGCSA-N 317.418 2.006 0 40 DEAB C[C@@H]1CCCCN1CCNC(=O)c1cc(-c2ccco2)[nH]n1 60524403 YTWSOSUXZXYUNG-GFCCVEGCSA-N 302.378 2.274 0 40 DEAB CSC[C@H](C)C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 79353472 DFNAMKZMNNKCIE-KBPBESRZSA-N 307.463 2.286 0 40 DEAB C[C@@]1(C(=O)O)CCCN1CC(=O)Nc1ccc(Cl)c(F)c1 530205990 KKVYMNSOYBQOBX-AWEZNQCLSA-N 314.744 2.357 0 40 DEAB Cc1cscc1C(=O)N[C@H]1CCCC[C@H]1n1cc(CO)nn1 530465151 VOPBJJAQVSFZRN-UONOGXRCSA-N 320.418 2.054 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)OCCS2 70637234 GCBMAJOYSBZARW-UHFFFAOYSA-N 307.371 2.111 0 40 DEAB Cn1ccc(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)cc1=O 76918448 KXXVUPDSJSLPQF-KBPBESRZSA-N 302.761 2.325 0 40 DEAB CCCC[S@](=N)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 38528827 IIJKAKPMCGGPSE-UZJPJQLHSA-N 322.427 2.201 0 40 DEAB Cc1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762589 UXYYGAIIRHDJOX-INIZCTEOSA-N 310.357 2.052 0 40 DEAB 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315.811 2.290 0 40 DEAB Clc1ccc(SCCNc2ccc3nnnn3n2)cc1 48399644 QNCKRZSUIKKAAR-UHFFFAOYSA-N 306.782 2.377 0 40 DEAB CCc1nnc2c(S(=O)(=O)Nc3ccccc3)cccn12 62591994 WHEDNCYCEPSJGF-UHFFFAOYSA-N 302.359 2.093 0 40 DEAB in-vitro O=C(CNC(=O)c1ccccc1Cl)NCCc1cccs1 8394077 DZVPUTVQNZMORN-UHFFFAOYSA-N 322.817 2.490 0 40 DEAB C[C@H](CNC(=O)C(=O)NCCc1ccccc1)c1ccccc1 408707346 NEXPWDFOTUJCMC-OAHLLOKOSA-N 310.397 2.265 0 40 DEAB Cc1nnc2n1CCN(Cc1coc(-c3cccs3)n1)C2 69460079 QZVNOUUNSARHGG-UHFFFAOYSA-N 301.375 2.319 0 40 DEAB c1ccc(CN2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)nc1 306141412 VVDROCJOTBOSNZ-DJIMGWMZSA-N 310.401 2.036 0 40 DEAB C[C@H]1CN(C(=O)[C@@H]2CCCCN2Cc2cccnc2)C[C@@H](C)O1 69741073 IVVXRIWYKCVZGV-UXLLHSPISA-N 317.433 2.072 0 40 DEAB COC(=O)NCC(=O)N[C@@H]1CCSc2ccc(Cl)cc21 49347207 FNJWOHFKPZANLL-SNVBAGLBSA-N 314.794 2.349 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cnn(-c2ccccc2Cl)c1 64388960 DCKJVQRQTUPZLL-UHFFFAOYSA-N 321.764 2.207 0 40 DEAB Cc1cc(C[S@](=O)CCC(=O)Nc2ccc(F)cc2)on1 64809714 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324.428 2.132 0 40 DEAB CNC(=O)[C@@H](Cc1ccccc1)NC[C@H]1CCOc2ccccc21 97371690 ZZMGUKYIOKTZES-SJLPKXTDSA-N 324.424 2.500 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(c1cnc3ccccc3n1)CC2 95400784 NXDILPQVSSWZPI-HOTGVXAUSA-N 313.401 2.386 0 40 DEAB C[C@@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)N1CCSCC1 95401638 CQNBUIUDZHGMMR-VXGBXAGGSA-N 324.421 2.009 0 40 DEAB Cc1ccc(OC[C@H](C)NC(=O)N(C)C[C@H]2CCOC2)cc1 95408148 CPTSGFQLJNNIBK-LSDHHAIUSA-N 306.406 2.440 0 40 DEAB c1ccc(OCC2CCN(c3ncnc4[nH]cnc34)CC2)nc1 79063543 QMQLSHYCSUWPPW-UHFFFAOYSA-N 310.361 2.043 0 40 DEAB CS[C@H]1CCC[C@@H]1N(C)C(=O)CNC(=O)c1ccc(F)cc1 95966671 CYSMVVYCSSSAOQ-KBPBESRZSA-N 324.421 2.298 0 40 DEAB O[C@]1(CN[C@@H](Cc2ccncc2)C(F)(F)F)CCSC1 95968901 PKSGOSMYMVRSSZ-RYUDHWBXSA-N 306.353 2.013 0 40 DEAB Cc1cc(Sc2nnc(C3CC3)n2C2CC2)n2ncnc2n1 89598878 DAEUBLDGLWOCOJ-UHFFFAOYSA-N 313.390 2.388 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(N(C)C)cc1 170387526 CHAGRBGHHBRKDF-IUODEOHRSA-N 303.406 2.386 0 40 DEAB O=S(=O)(O)c1cccc(-n2nc(-c3ccccc3)cc2O)c1 34184997 OZRQQVLADXSFTD-UHFFFAOYSA-N 316.338 2.492 0 40 DEAB Cc1ccc2oc(N3CCC[C@@H](N4CCNC4=O)C3)nc2c1 523704474 XRTWWDLPBXUIOO-GFCCVEGCSA-N 300.362 2.130 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)NCCCCC(C)(C)C)CCS1(=O)=O 77662299 RBUXKGBCONVFKP-OLZOCXBDSA-N 318.483 2.420 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 77235692 VFNVVENJSXLMFK-BDAKNGLRSA-N 323.340 2.263 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3nccs3)C2)n1 79487993 VAQSUPWVWTXABW-GFCCVEGCSA-N 317.418 2.405 0 40 DEAB CC(=O)N1CCN(c2ncc([C@@H](N)c3ccccc3)cc2C)CC1 72222700 LCYFRZLCMWZPMO-SFHVURJKSA-N 324.428 2.107 0 40 DEAB Cc1c[nH]cc1C(=O)NCCc1ccccc1N1CCOCC1 566850016 WOLANOAQJIUSHG-UHFFFAOYSA-N 313.401 2.132 0 40 DEAB CN1CC(=O)N(C(=O)c2cccs2)c2ccccc2C1=O 40385939 CIKPXTLGLDJYKH-UHFFFAOYSA-N 300.339 2.007 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)N1CCC2(CC1)OCCCO2 75156653 VJEWAOWDRRWNAS-VGOFMYFVSA-N 323.414 2.216 0 40 DEAB N[C@@H]1c2ccccc2C[C@H]1NC(=O)c1cncc(C(F)(F)F)c1 1580404554 CHYGPVVGBWHBJM-ZIAGYGMSSA-N 321.302 2.455 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2S1 88546886 FFRKOOZGWSBGIS-JTQLQIEISA-N 309.416 2.110 0 40 DEAB O=C(NCc1cnn2c1CCCC2)c1ccc2nsnc2c1 225610335 VOOXDDYGEVUYLQ-UHFFFAOYSA-N 313.386 2.154 0 40 DEAB CC(C)CCN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCc2ccccc2)C1 96253447 VDVKTBSRNTUVHG-FGTMMUONSA-N 316.445 2.438 0 40 DEAB CC(C)C[C@@](C)(NC(=O)c1cc(F)cc2cccnc12)C(N)=O 95453440 OMUFWUXKAHRJFK-QGZVFWFLSA-N 317.364 2.394 0 40 DEAB Cn1cc([C@@]2(C)CN(CCc3ccccc3F)CCO2)cn1 97095659 WODHCLXFRKWGQZ-QGZVFWFLSA-N 303.381 2.349 0 40 DEAB Cc1ccc(CN2CC[C@@]3(C[C@H](Nc4ncccn4)CO3)C2)o1 96047721 HELMIZKCOVWXMQ-WMLDXEAASA-N 314.389 2.224 0 40 DEAB COC[C@H]1CN(CC2CCOCC2)Cc2ncn(CC3CC3)c21 96060293 NPUOSHOFTLGPJG-MRXNPFEDSA-N 319.449 2.265 0 40 DEAB CCS[C@@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccon1 96456155 XAZCIVSFDMHFPM-VXGBXAGGSA-N 304.437 2.158 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)CCn2cnc3ccccc32)C1 257208196 BLCPOUSVSRCFPH-AWEZNQCLSA-N 323.400 2.474 0 40 DEAB Cc1c(CN2CCCC[C@H]2c2ccnc(N(C)C)n2)cnn1C 257253207 JXYBYBJXVKQLFR-INIZCTEOSA-N 314.437 2.312 0 40 DEAB CCn1cncc1CN1CC[C@@](O)(COc2cccc(F)c2)C1 585278541 TZZOPZBZIUSBKD-KRWDZBQOSA-N 319.380 2.058 0 40 DEAB COCc1n[nH]c(CNc2cc(Br)cc(C)n2)n1 894525374 AIRRCILXEJFPSB-UHFFFAOYSA-N 312.171 2.029 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2ccc3nncn3c2)C12CCCC2 89986118 VCFUOLBSJYEOCF-UONOGXRCSA-N 314.389 2.197 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NCC1CCS(=O)(=O)CC1 90882897 CTGQCLMLPGICCM-CYBMUJFWSA-N 311.447 2.479 0 40 DEAB COc1ccc2cc(CN3CC[C@H](CO)C3)c(OC)nc2c1 12118292 LHWAEPDUWJGDSY-LBPRGKRZSA-N 302.374 2.066 0 40 DEAB COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)cc1OC 100132434 AEFPCFUCFQBXDQ-WDNDVIMCSA-N 305.374 2.486 0 40 DEAB biogenic,in-vitro Cc1nn(CCNC(=O)[C@H]2CCOC2)c(C)c1-c1cccs1 575612572 HJNGUDGOWFSNLR-ZDUSSCGKSA-N 319.430 2.381 0 40 DEAB Cc1csc(SCC(=O)NC(=O)Cc2ccccc2)n1 2661982 UVYZKKXTDCTBDS-UHFFFAOYSA-N 306.412 2.429 0 40 DEAB Cc1ccc(CN2CCN(c3ccc(N(C)C)nn3)CC2)cc1 1889122693 RMSRNBVAVQRBGZ-UHFFFAOYSA-N 311.433 2.173 0 40 DEAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)O[C@@H](C)C(N)=O 25859433 VBSFINPGWZIKCF-QMMMGPOBSA-N 308.721 2.334 0 40 DEAB Cc1nc([C@H]2C[C@H]3CN(C(=O)c4cc[nH]n4)C[C@H]3O2)sc1C 1565541633 JTGTTZJEYWBVJD-CYZMBNFOSA-N 318.402 2.085 0 40 DEAB CN1C(=O)N[C@H](c2ccccc2)C2=C1CN(Cc1ccco1)C2=O 118241 QYHBGPGRISIUIS-MRXNPFEDSA-N 323.352 2.272 0 40 DEAB COc1cccc(C(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c1 8924548 BWDHGNOPQJRTTJ-CQSZACIVSA-N 324.380 2.478 0 40 DEAB C[C@](O)(CNC(=O)Nc1ccc2c(c1)OCO2)Cc1ccco1 206623091 MQKLLNQXKIFINR-MRXNPFEDSA-N 318.329 2.124 0 40 DEAB CCOC(=O)CCC(=O)Nc1cccc(N2CCCC2=O)c1 5440576 HBLSQQUCSAKQSW-UHFFFAOYSA-N 304.346 2.095 0 40 DEAB CC(C)N1C[C@H](C(=O)Nc2nc3c(s2)C[C@H](C)CC3)CC1=O 40073759 RPGSMAVUNWVYSA-GHMZBOCLSA-N 321.446 2.463 0 40 DEAB O=C(NC(=S)Nc1ccc(C(=O)O)c(O)c1)c1ccccc1 20151454 FOMKLGWUVYFRQB-UHFFFAOYSA-N 316.338 2.217 0 40 DEAB CCc1nnc(NC(=O)C[C@H](NC(C)=O)c2cccs2)s1 11474582 DEODYXHCYBMIGH-VIFPVBQESA-N 324.431 2.368 0 40 DEAB CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1CO 51149498 REPWEZZPCCYPNT-UONOGXRCSA-N 319.357 2.183 0 40 DEAB COc1ccccc1NC(=O)COc1ccc(CO)cc1OC 2554754 BRYPLWOEDSAJAC-UHFFFAOYSA-N 317.341 2.214 0 40 DEAB Cn1cc(CNS(=O)(=O)c2ccc3ccccc3c2)cn1 2774857 HZAXSFMRJPLNEY-UHFFFAOYSA-N 301.371 2.052 0 40 DEAB CN(Cc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 32751452 FDPVBYOAURTRRE-LBPRGKRZSA-N 307.337 2.324 0 40 DEAB C[C@H]1CN([C@H](C)CNC(=O)CCc2cccs2)C[C@@H](C)O1 32828475 HVOWXKVXEQWBGK-MCIONIFRSA-N 310.463 2.295 0 40 DEAB CN(Cc1cccs1)CN1C(=O)NC2(CCCCC2)C1=O 33033946 PEQIYPPSOBJBJA-UHFFFAOYSA-N 307.419 2.392 0 40 DEAB Cc1nn(C)c2sc(C(=O)N3CCN(CC(C)C)CC3)cc12 54461733 QCQPOAGWEPRKPE-UHFFFAOYSA-N 320.462 2.357 0 40 DEAB Cc1sc2nc(Cc3cccc(C(N)=O)c3)[nH]c(=O)c2c1C 54752195 JSVZIRFPRXIQGT-UHFFFAOYSA-N 313.382 2.291 0 40 DEAB O=C(NCCCn1cncn1)c1cccc(-c2ccc(O)cc2)c1 55197702 UQFJCOAUHOTEMA-UHFFFAOYSA-N 322.368 2.471 0 40 DEAB O=C(NCCc1ccccc1)[C@@H]1CCCN(c2ncccn2)C1 1342033 CHKHOIRNIICLAK-MRXNPFEDSA-N 310.401 2.052 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1ccc(-n2ccnc2)nc1 24905354 DBNXPLQLIDJNCK-UHFFFAOYSA-N 311.345 2.443 0 40 DEAB COc1ccc(CC(=O)N[C@H](C)c2cnn(C)c2C)cc1F 25000323 YYIVNRCLUORBBQ-SNVBAGLBSA-N 305.353 2.296 0 40 DEAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1N[C@H](C)CCc1ccccc1 106918494 BZULBLVMDUINRW-UXLLHSPISA-N 324.490 2.267 0 40 DEAB C[C@@H]1CN([C@H](CNC2CCOCC2)c2cccs2)CCO1 106917506 JOFKNPRKXRAYTQ-UKRRQHHQSA-N 310.463 2.279 0 40 DEAB CNC(=O)c1cc(C(=O)c2ccccc2Br)c[nH]1 3069905 XYFXEGQOTYQJMT-UHFFFAOYSA-N 307.147 2.368 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccccn1 100141237 RXKUTPWADUDXEN-IUODEOHRSA-N 319.368 2.335 0 40 DEAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cn1 25307315 SUSVFWSESHLXCL-JTQLQIEISA-N 318.764 2.065 0 40 DEAB COc1ccc([C@@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 57101640 ZJBIQVYDWXIVBF-HNNXBMFYSA-N 309.362 2.473 0 40 DEAB Cc1c(CNC(=O)Cc2ccc(Br)cc2)cnn1C 28574986 XBSQWFVEWCJDGC-UHFFFAOYSA-N 322.206 2.350 0 40 DEAB Cc1cc(NC(=O)CCN2CCC[C@H]2c2cccn2C)no1 58068072 NQUCHSFJFOKDBE-AWEZNQCLSA-N 302.378 2.487 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)N2CCCC2)C1 62720710 BLPXGULVKBFLIC-ZDUSSCGKSA-N 312.410 2.025 0 40 DEAB Cc1cnc(NC(=O)Cc2csc(NC(=O)C3CC3)n2)s1 12552606 PQPKIFLOPHNNNC-UHFFFAOYSA-N 322.415 2.438 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(N)=O)cc1 44866142 HCZNPTLACFYSME-LBPRGKRZSA-N 309.369 2.446 0 40 DEAB Cc1csc(CCNC(=O)NC[C@@H](O)c2ccccc2)n1 44948584 QDXUQRFOZRLRAS-CYBMUJFWSA-N 305.403 2.027 0 40 DEAB CO[C@H](C(=O)NCCNC(=O)CC1CCCC1)c1ccccc1 58390655 JCAKYPNMDCBXMQ-KRWDZBQOSA-N 318.417 2.187 0 40 DEAB O=C(c1cc(S(=O)(=O)Oc2ccccc2)c[nH]1)N1CCCC1 27933386 YXLPPWXEVNQMPZ-UHFFFAOYSA-N 320.370 2.018 0 40 DEAB C[C@@H](NC(=O)CCn1cncn1)C12CC3CC(CC(C3)C1)C2 10816843 JLPZQAKUGYGYEV-JISDDCRVSA-N 302.422 2.389 0 40 DEAB C[C@@H]1CCCN(c2ncccc2C(=O)NC[C@H]2CCCO2)C1 211347673 UCQDWFSYDNKNLB-ZIAGYGMSSA-N 303.406 2.227 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)N1CCCc2ccccc21 3317548 OGNMTXHEKBMULK-UHFFFAOYSA-N 319.368 2.320 0 40 DEAB O=C(NCCCn1ccnc1)[C@@H]1Cc2cc(Cl)ccc2O1 48355885 IXSCECJZUUMCKO-AWEZNQCLSA-N 305.765 2.047 0 40 DEAB CCn1c(S[C@@H]2CCOC2=O)nnc1-c1ccccc1OC 3454612 VGYUQQIXEYYKBN-GFCCVEGCSA-N 319.386 2.381 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 13146289 NWWBRFKGESLTTG-KBPBESRZSA-N 312.369 2.193 0 40 DEAB Cc1ncsc1C(=O)NCCN1CCc2sccc2C1 48919528 NUURNTMQQSHLCR-UHFFFAOYSA-N 307.444 2.301 0 40 DEAB COC(=O)N1CCC[C@@H](NC(=O)NCc2ccccc2C)C1 69776056 HEBKXMDVRXQGBM-CQSZACIVSA-N 305.378 2.025 0 40 DEAB Cc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)c(=O)[nH]1 65152909 PPOLAXNGAYVRPJ-UHFFFAOYSA-N 308.341 2.336 0 40 DEAB Cc1cn2cc(NC(=O)c3cccc(NC(N)=O)c3)ccc2n1 65491243 CDVBRAJSOXEDLI-UHFFFAOYSA-N 309.329 2.386 0 40 DEAB COCC[C@@H](C)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 65587671 WDORNGMKSQXDPC-LLVKDONJSA-N 305.378 2.125 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2cccc3cccnc23)no1 14184532 WJSRCIDDXDRYSI-UHFFFAOYSA-N 311.297 2.327 0 40 DEAB Cn1ncc2c(NCc3ccc(N4CCCC4=O)cc3)ncnc21 14138938 IOUAGUGDRXWQGF-UHFFFAOYSA-N 322.372 2.102 0 40 DEAB C[C@H]1CN(C/C=C/CN2C[C@@H](C)C(=O)C[C@@H]2C)[C@H](C)CC1=O 16955654 AXZMGWWNXZUFCN-NHIZAAOVSA-N 306.450 2.141 0 40 DEAB CN(C)[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)c1ccccc1 69371194 ZREXPBQHJVMJQT-IRXDYDNUSA-N 312.417 2.350 0 40 DEAB CC1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 6555052 QCZMWUARIJKPIW-UHFFFAOYSA-N 324.446 2.245 0 40 DEAB CCCCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCO2)cc1 4600273 IANWPMWFFZMVIM-HNNXBMFYSA-N 304.390 2.263 0 40 DEAB COc1cc(CN2CCC(C(=O)NC(C)C)CC2)ccc1O 4699599 NZAVQQARFSVTKR-UHFFFAOYSA-N 306.406 2.137 0 40 DEAB CCOCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5948373 YICJBLZSHOMUPD-UHFFFAOYSA-N 316.323 2.391 0 40 DEAB C[C@@H](Cn1cncn1)NCc1cc(F)ccc1Br 90171815 OJTJLXQXTPHTNX-VIFPVBQESA-N 313.174 2.358 0 40 DEAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)NC1CCCC1 15593400 VXGUBFVCIPIHTF-UHFFFAOYSA-N 303.358 2.480 0 40 DEAB O=C(CSc1nnc(-c2ccc[nH]2)o1)c1ccc(O)cc1O 18365580 LCDGDVUZPPRORX-UHFFFAOYSA-N 317.326 2.451 0 40 DEAB CN(C)C(=O)[C@@H](OC(=O)c1ccc(F)cc1N)c1ccccc1 18750438 RXNFSFPHJZWUSX-HNNXBMFYSA-N 316.332 2.394 0 40 DEAB CCc1cccc(OC[C@H](O)CNC[C@@H]2CCCN2CC)c1 19365419 QVEYJYLYMHELRN-DLBZAZTESA-N 306.450 2.063 0 40 DEAB CCCn1nnnc1CSc1nc2ccc(OC)cc2[nH]1 9156729 DOTHMFYOFXYJHN-UHFFFAOYSA-N 304.379 2.260 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 84023071 RVJDCSWVTLXRHK-CYBMUJFWSA-N 316.361 2.458 0 40 DEAB C[C@@H](CC(=O)N(C)CC(N)=O)c1ccc(C(F)(F)F)cc1 71824515 LXGFTGLTTRTBEY-VIFPVBQESA-N 302.296 2.143 0 40 DEAB C[C@H](NC(=O)CN1CCC[C@@H]1Cn1cccn1)c1cccs1 71875457 NWVBJOGZCCHHEJ-UONOGXRCSA-N 318.446 2.286 0 40 DEAB COc1cc2c(cc1CNCCn1cc(C)cn1)O[C@@H](C)C2 71877352 SIUULSDTNXRGFT-ZDUSSCGKSA-N 301.390 2.313 0 40 DEAB Cc1[nH]ncc1C(=O)Nc1ccc(N2CCOC[C@@H]2C)cc1 76083848 IMFSHVYKUBTBBX-NSHDSACASA-N 300.362 2.196 0 40 DEAB CCO[C@@H]1C[C@H](N(C)CCS(C)(=O)=O)C12CCCCC2 76040435 XRHKXCBTDLPLIB-UONOGXRCSA-N 303.468 2.091 0 40 DEAB CCc1ccc(CC(=O)N[C@H](Cc2ccccc2)C(N)=O)cc1 72295302 KJIVCJGKMLJKPB-QGZVFWFLSA-N 310.397 2.004 0 40 DEAB Cc1cc(C(=O)Nc2cc(C)on2)nc(N2CCCCC2)n1 72239836 XWMBPIWRIRXJPY-UHFFFAOYSA-N 301.350 2.324 0 40 DEAB COc1ccnc(CN2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 97086136 UPQNWRUVDCBATH-CXAGYDPISA-N 315.417 2.066 0 40 DEAB Cn1cc([C@](C)(O)CNC(=O)Nc2cccc(Cl)c2)cn1 78869931 TXSMZXARHOJUBA-CQSZACIVSA-N 308.769 2.103 0 40 DEAB Cn1cc([C@@](C)(O)CNC(=O)Nc2cccc(Cl)c2)cn1 78869933 TXSMZXARHOJUBA-AWEZNQCLSA-N 308.769 2.103 0 40 DEAB CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC[C@@H]2CCCN2C)C1 84744509 ZJNQBZFTEUVJPA-ZACQAIPSSA-N 309.498 2.488 0 40 DEAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC2(C1)OCCO2 84718093 AYBUXEXEJLSAKK-WFASDCNBSA-N 302.374 2.078 0 40 DEAB CS[C@H](CO)[C@H](C)NC(=O)Cc1cccc2cccnc12 95445680 IOXBHFQGYWDIMH-SMDDNHRTSA-N 304.415 2.006 0 40 DEAB O=C1CCCN1C[C@@H](O)CN1CC2(CCCC2)c2ccccc21 95432256 JPHMWOSOVONSBO-OAHLLOKOSA-N 314.429 2.302 0 40 DEAB CO[C@@H](C)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 95995399 KVLNBZQPLUTGGC-VIFPVBQESA-N 305.300 2.100 0 40 DEAB CC[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)N(C)C 95977829 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C[C@]1(C(=O)NCC(=O)NCc2ccccc2)CC1(Cl)Cl 32923043 FAHHOCCMJVGSET-CYBMUJFWSA-N 315.200 2.003 0 40 DEAB CCc1cc(C(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)no1 72369769 RRVFNYIEHATBFV-LBPRGKRZSA-N 300.362 2.274 0 40 DEAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)CCS(C)(=O)=O)C1 75134815 WDEGQWRDXBOEQK-RISCZKNCSA-N 313.394 2.170 0 40 DEAB CCN(CC)CCCNC(=O)[C@@H](C)Cn1cc(Cl)cn1 32648236 FLBIGBGKHDUWHI-LBPRGKRZSA-N 300.834 2.021 0 40 DEAB COc1cccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccccc2)c1 72321868 GWISBYNYXBBDQT-NCXUSEDFSA-N 313.397 2.063 0 40 DEAB biogenic,in-vitro N=c1nc(CN2CC3(CCCCC3)[C@@H]2c2ccccc2)[nH]c(=N)[nH]1 564054479 XJUKUJIKUUCFNB-HNNXBMFYSA-N 324.432 2.204 0 40 DEAB C[C@H]1CN(CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)O1 13683616 OCMWTSBWJSCCOO-OKILXGFUSA-N 316.401 2.172 0 40 DEAB CCOC[C@@H]1CCCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 73042851 WCPLLFKHNZVVPC-GOEBONIOSA-N 322.453 2.347 0 40 DEAB COCCCNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330049 UVXBUVZYPXLPQR-UHFFFAOYSA-N 319.279 2.015 0 40 DEAB CC(=O)N1CCC[C@H](Cc2cnc(Br)cn2)CC1 72343909 OAYNVLYGHMZMCW-NSHDSACASA-N 312.211 2.430 0 40 DEAB Clc1ccc(N2CCN(c3ncnc4c3CCC4)CC2)nc1 76922659 LLBAOOYDIHCJIM-UHFFFAOYSA-N 315.808 2.340 0 40 DEAB CCOC(=O)[C@@H]1CN(C(=O)c2ccccc2)C(C)(C)CC1=O 328578219 DLYXRNOHQQDJEZ-CYBMUJFWSA-N 303.358 2.060 0 40 DEAB COCCn1cc(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)cn1 225693402 BWUHYPQLZKSFAY-KCQAQPDRSA-N 308.426 2.153 0 40 DEAB Cc1occc1S(=O)(=O)[C@H](C)c1nnnn1-c1ccccc1 195577681 JRHSKYNNKBSYQH-LLVKDONJSA-N 318.358 2.099 0 40 DEAB Cc1nc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3C(=O)C2CC2)cs1 96041764 DIZAWWPIRJMIPM-RRFJBIMHSA-N 322.430 2.137 0 40 DEAB COc1ccccc1[C@@H](C)N[C@@H](C(=O)N1CCOCC1)C(C)C 95423660 YYTCLIYTNVEEHT-RHSMWYFYSA-N 320.433 2.229 0 40 DEAB O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 97234327 YUANFILFFFVBGA-HZPDHXFCSA-N 317.437 2.131 0 40 DEAB COC(=O)Cn1ncc2c(N[C@H](C)c3ccc(C)o3)ncnc21 96408642 ZOYBREWIWCLAPY-SNVBAGLBSA-N 315.333 2.074 0 40 DEAB COC[C@H]1CN(CC2CC2)C[C@@]12CCN(C(=O)C1CC=CC1)C2 96215089 GIGODZHKBOZAEJ-IEBWSBKVSA-N 318.461 2.160 0 40 DEAB CCO[C@H](C)c1noc(CNC(=O)N2C[C@H]3CCCC[C@@H]3C2)n1 96456322 RSMKCOFYRHXWJC-JHJVBQTASA-N 322.409 2.499 0 40 DEAB CN(C)CC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 248079494 CIGHYLCYLXMLFV-AWEZNQCLSA-N 318.446 2.022 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 257341450 ZKJDBBVWQLIJHQ-ZDUSSCGKSA-N 313.357 2.467 0 40 DEAB Cc1nccc(N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)n1 257253903 KATGYWFZSSKHOT-NSHDSACASA-N 309.377 2.023 0 40 DEAB CNCC(=O)N1CCC[C@H](Cc2ccnc3ccncc23)CC1 257255570 KHZYIXCPVZDUAN-AWEZNQCLSA-N 312.417 2.020 0 40 DEAB CCC(=O)N1CCO[C@@H](c2cc(-c3cnn(C)c3)cc(C)n2)C1 257230752 GDSMROLQIYZWAP-MRXNPFEDSA-N 314.389 2.100 0 40 DEAB O=C(c1cnccn1)N1CCC[C@@H](Cc2cnc3[nH]ccc3c2)C1 257253880 KAQRLNLXSKVRKI-ZDUSSCGKSA-N 321.384 2.448 0 40 DEAB O=C(N1CCCC1)[C@]1(c2cnccn2)CCCN1C1CCCC1 257294739 QVMRAZCDNQJPRR-GOSISDBHSA-N 314.433 2.333 0 40 DEAB CNc1ncc(CN2CCCC[C@@H]2c2ccnc(NC)n2)cn1 257246364 ITTYTRSDJIDCMV-CQSZACIVSA-N 313.409 2.077 0 40 DEAB CCc1nnc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)n1CC 260380268 QLLMRVDCPPNACH-SDDRHHMPSA-N 308.451 2.257 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@]1(O)CCc2ccccc2C1 90745213 IKIIYICNQHJEFX-IBGZPJMESA-N 313.372 2.404 0 40 DEAB Cc1nn(C)cc1[C@H](C)NC(=O)CSCc1ccncc1 68154093 RINJCSHFAMHHGW-NSHDSACASA-N 304.419 2.234 0 40 DEAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1cnccn1 69384462 GRJJPPUQBGPVDL-UHFFFAOYSA-N 301.256 2.397 0 40 DEAB Cc1cnn(C[C@H]2CN(c3ncnc4ccccc34)CCO2)c1 69451554 ZRZYYMHARVWASL-CQSZACIVSA-N 309.373 2.040 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(Br)ccc2F)CCN1 88058938 WHKUMTBLHKMPDK-MRVPVSSYSA-N 301.159 2.022 0 40 DEAB O=C(c1cc[nH]n1)N1CCN(c2ccc(F)cc2Cl)CC1 95441580 LJXNDNXSXJAHJY-UHFFFAOYSA-N 308.744 2.165 0 40 DEAB O=C(NCc1ncoc1-c1ccccc1)[C@H]1C[C@H]2CC[C@H]1NC2 570271613 CWMXAZCCDQYZOG-VHDGCEQUSA-N 311.385 2.346 0 40 DEAB O=C(O)C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 91292561 YCWYOMSPDYQWLU-VIFPVBQESA-N 318.156 2.309 0 40 DEAB CC(=O)CC[C@@]1(c2cc[n+](C)cc2)CC[C@@](C)(O)[C@H](C(C)=O)C1 5125314 HIKLFVACCNRXKO-IPMKNSEASA-N 318.437 2.258 0 40 DEAB O=C(NCCc1ccncc1)Nc1c[nH]c2ccccc2c1=O 13565873 YNAXBIMBUOYBDL-UHFFFAOYSA-N 308.341 2.287 0 40 DEAB CCOc1ccc(C(=O)NC(=S)NCc2ccco2)cc1 14012516 URCXDJQGEKRPCE-UHFFFAOYSA-N 304.371 2.483 0 40 DEAB CCN(C[C@@H](C)C(=O)O)S(=O)(=O)c1sc(C)cc1C 292440074 MSLWMUZBTDVDLV-SECBINFHSA-N 305.421 2.096 0 40 DEAB CC(=O)N[C@H]1SC(c2ccccc2)=N[C@]1(O)c1ccccc1 338784 BCXXUSGPERBYHH-IRXDYDNUSA-N 312.394 2.488 0 40 DEAB c1ccc(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)nc1 2055738854 VUGVFPHWOUNYAT-AWEZNQCLSA-N 312.417 2.313 0 40 DEAB CCc1cnc(N2CCN(Cc3ccncc3F)[C@@H](C)C2)nc1 2298031816 XQXBQPBMRHQZBI-ZDUSSCGKSA-N 315.396 2.284 0 40 DEAB COc1ccc(CC(=O)N(CCC(N)=O)c2ccccc2)cc1 73080875 LFTLRBADYLOXBN-UHFFFAOYSA-N 312.369 2.146 0 40 DEAB CCC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2 4898596 ZOQLNWUTHRTMOD-UHFFFAOYSA-N 324.373 2.100 0 40 DEAB Cc1cc(N(C)C)ccc1NC(=O)[C@@H](C)NC(=O)c1ccco1 40111564 JBJALGYKNXSLOL-GFCCVEGCSA-N 315.373 2.411 0 40 DEAB CC(C)Cc1ccc(CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1 40467507 CCKZMYSLZNSPTJ-INIZCTEOSA-N 323.458 2.073 0 40 DEAB COc1ccccc1N1C(=O)C(Cl)=C(N2CCCC2)C1=O 149392 FUEHOVPINJVZMG-UHFFFAOYSA-N 306.749 2.115 0 40 DEAB Cc1ccc2cc(C)c3nnc(SCC(N)=O)n3c2c1C 416315 KTFVXGIVXPUSIK-UHFFFAOYSA-N 300.387 2.385 0 40 DEAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccco1 8315343 JXYOZGLWFRPYHH-NSHDSACASA-N 322.386 2.021 0 40 DEAB C[C@H](O)CNC(=O)NCc1cccnc1Oc1cccc(F)c1 40540041 OAZJTDQKJUBDQP-NSHDSACASA-N 319.336 2.193 0 40 DEAB CN(CCO)C[C@H](O)CN(c1ccccc1)c1ccccc1 1819743 SKYQKBKRQSMUEN-SFHVURJKSA-N 300.402 2.110 0 40 DEAB CCn1cc(CN(C)C(=O)CCn2nc(C)c(Cl)c2C)cn1 2778971 CCCRXUIGUTULIL-UHFFFAOYSA-N 323.828 2.418 0 40 DEAB COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 256944 DEAVWQSRBJQFEW-MNOVXSKESA-N 305.330 2.303 0 40 DEAB COc1cc(CNC(C)(C)C)ccc1OC[C@H]1NC(C)=NO1 32617178 NVYOUAGPQMMOJR-HNNXBMFYSA-N 307.394 2.241 0 40 DEAB CCc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1 2660332 UGZMJHWMEOPUDS-UHFFFAOYSA-N 309.325 2.168 0 40 DEAB Cc1nnc(S[C@H](C)C(=O)NCCc2cccs2)n1C 8184870 ABBWQLZTGQOZCQ-SECBINFHSA-N 310.448 2.025 0 40 DEAB COc1ccc(CNC(=O)N2CCCC[C@H]2[C@@H](C)O)cc1OC 69484270 TYWXDUXRMSAFGA-OCCSQVGLSA-N 322.405 2.149 0 40 DEAB C[C@H](OC(=O)c1ccccc1O)C(=O)NCc1ccc(F)cc1 9513005 XCTXPDBKNCQKAM-NSHDSACASA-N 317.316 2.393 0 40 DEAB COC(=O)[C@H](NC(=O)c1ccc(C)nc1)c1cc(F)ccc1F 69442057 SUYNFSJKELICMC-CQSZACIVSA-N 320.295 2.312 0 40 DEAB CCCn1nnc(NC(=O)COc2ccc(C(C)C)cc2)n1 559474 JRSLVRQHSIHIRC-UHFFFAOYSA-N 303.366 2.224 0 40 DEAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccccn2)c2ccccc21 565356 FSVKJWQUFFVNNY-GOSISDBHSA-N 310.353 2.299 0 40 DEAB Cc1cccc(/C=C2\C(=O)Nc3ccc(S(N)(=O)=O)cc32)c1 47202598 FFIGLNVVRDOQJQ-ZSOIEALJSA-N 314.366 2.135 0 40 DEAB CC(C)c1ccc(C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 17180460 USJDAMDDYXEKIM-UHFFFAOYSA-N 310.357 2.136 0 40 DEAB O=C(Nc1cccnc1-n1cccn1)[C@H]1Cc2ccccc2O1 23177199 MJHGZLVUJMJIBK-OAHLLOKOSA-N 306.325 2.210 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)c(C)n1 55434159 UFCWCXSXFWMWFI-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB C[C@H](NC(=O)c1nccnc1N)c1ccccc1OC(F)F 25299681 ZNKCIEYEKJYCPP-QMMMGPOBSA-N 308.288 2.151 0 40 DEAB Cc1cc(NC(=O)C(=O)N[C@H](C)c2cc(C)sc2C)no1 47999502 FJCKZGKYOVJTDJ-SECBINFHSA-N 307.375 2.477 0 40 DEAB CCc1ccc2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2c1 44872361 VSYLZOAIVVYFPJ-SNVBAGLBSA-N 324.427 2.232 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1 58218958 GSHFLTPKXHUPSD-LBPRGKRZSA-N 324.808 2.422 0 40 DEAB CN(C)CCCNC(=O)c1ccccc1NC(=O)c1ccco1 10312819 DQBNGEQSFYJPSV-UHFFFAOYSA-N 315.373 2.213 0 40 DEAB COc1ccccc1OCC(=O)NCCc1csc(C)n1 28251524 ZJZXIQMWNAVRDN-UHFFFAOYSA-N 306.387 2.198 0 40 DEAB COc1ccccc1CC(=O)N1CCN(c2nccs2)CC1 10673498 DBLKUFKOGXNZNO-UHFFFAOYSA-N 317.414 2.043 0 40 DEAB O=C(c1cc(F)cc(F)c1)N1CCN(c2nccs2)CC1 10673496 JWGKHAHSSGKKIN-UHFFFAOYSA-N 309.341 2.384 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306126235 DQHNKSXFKWGXGI-OAHLLOKOSA-N 304.390 2.016 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(C(=O)NC)cc1C 69571220 SCMVRBSXXLFWMB-CQSZACIVSA-N 319.405 2.387 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 13114484 JNMHSNVRRCTITL-XQQFMLRXSA-N 304.390 2.325 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)c1ccc(F)cc1)c1nncn1C 69700652 KMAXYTVXAHCTCH-NSHDSACASA-N 319.384 2.292 0 40 DEAB CC(C)(NCCCc1ccccc1)C(=O)NC1CCC(O)CC1 69739875 LOBQEIZDKOSTOL-UHFFFAOYSA-N 318.461 2.407 0 40 DEAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 69947723 BHMWNJZBZIAZTG-ZIAGYGMSSA-N 316.409 2.023 0 40 DEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(F)cc1 5263069 FAJCZDLENQVRAX-UHFFFAOYSA-N 311.316 2.334 0 40 DEAB CCC[C@@H](C)NC(=O)CSc1nnc2nc(C)cc(C)n12 5213396 BZTQGSQSOHYCJW-SECBINFHSA-N 307.423 2.138 0 40 DEAB CC(C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCC1 65494895 NEQVSTCUQZOWAI-MRXNPFEDSA-N 302.418 2.382 0 40 DEAB COc1ccccc1CNC(=O)c1cc(=O)c2ccccc2[nH]1 14189910 OYJCAXNJJQNOON-UHFFFAOYSA-N 308.337 2.467 0 40 DEAB Cc1noc(C)c1C[S@](=O)CC(=O)Nc1cccc(F)c1 66298786 SBMHYXRQXLZFQK-OAQYLSRUSA-N 310.350 2.318 0 40 DEAB Cn1c(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n[nH]c1=S 66625365 QNJGCDFEDJFUDT-GHMZBOCLSA-N 306.366 2.037 0 40 DEAB Cc1cc(NCc2ccccc2CN2CCC[C@H]2CO)ncn1 96005713 YUAIYQNDYFKFFY-KRWDZBQOSA-N 312.417 2.354 0 40 DEAB CCS(=O)(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 66917156 GHIUHIFRYRRVEW-UHFFFAOYSA-N 320.418 2.001 0 40 DEAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 6949246 RQIPKOQBOGOTTP-YJBOKZPZSA-N 310.353 2.187 0 40 DEAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)cc1 67730820 ZYYVKZPONNWEGI-ZDUSSCGKSA-N 306.431 2.425 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(-c2ccco2)n1 71829645 XRYDBTPIHNFJFQ-ZJUUUORDSA-N 319.386 2.129 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)COC[C@@H]1CCCO1 71883712 ZALLRECQAVJCHY-HNNXBMFYSA-N 315.373 2.315 0 40 DEAB CN(CC(=O)NCc1ccc(Br)cc1F)C1CC1 71898185 DLPIDUMSCLAYQZ-UHFFFAOYSA-N 315.186 2.299 0 40 DEAB COC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2Cl)C1 72283212 WRYWFUFUBPMYTN-LBPRGKRZSA-N 324.808 2.472 0 40 DEAB Cc1csc(Nc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)n1 72277512 VZFZIRZVZFTYPJ-LBPRGKRZSA-N 316.386 2.412 0 40 DEAB NC(=O)C[C@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 72297850 CLDUKNDTSHJHBS-LBPRGKRZSA-N 314.307 2.018 0 40 DEAB CCOC(=O)C[C@@H](c1ccc(O)cc1)c1c(O)cc(C)[nH]c1=O 72326087 KNDRFBLOGTVAGN-ZDUSSCGKSA-N 317.341 2.180 0 40 DEAB biogenic C[C@H](NC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1)c1cnn(C)c1 84689587 XBJJHQDGFPXVLS-JKIFEVAISA-N 321.469 2.291 0 40 DEAB CCc1cnc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)o1 76047809 OZZNWXAIVFVXCX-INIZCTEOSA-N 314.433 2.381 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)c(=O)[nH]1 95435135 FNOAAMCVOITKAM-JTQLQIEISA-N 304.371 2.136 0 40 DEAB CC[C@@H](NC(=O)NCCc1cnn(C)c1C)c1c(C)noc1C 95441293 ANUOVEHLDNPQRE-CQSZACIVSA-N 319.409 2.326 0 40 DEAB Cc1nc(-c2ccccc2)oc1C(=O)NCc1ccc(=O)[nH]c1 73798241 IXQNWOYCDRCSQQ-UHFFFAOYSA-N 309.325 2.268 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 78821768 PFCPUMQPFYFYLT-GXSJLCMTSA-N 323.343 2.088 0 40 DEAB Cc1sc2nc(CN[C@@H](CCO)C(C)C)[nH]c(=O)c2c1C 95941177 RICQTIXDWMOCJA-NSHDSACASA-N 309.435 2.098 0 40 DEAB CC(C)[C@@]1(C)CC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O 95960061 PXYMBRVIKBRJHK-XJKSGUPXSA-N 311.328 2.419 0 40 DEAB O=C1CN(C(=O)c2scnc2C2CC2)c2ccncc2N1 95976514 UUUOGSTXCYQSPE-UHFFFAOYSA-N 300.343 2.014 0 40 DEAB CCn1cnnc1-c1ccccc1NC(=O)Nc1cnn(C)c1 95964203 MMUXXFIMRKIWTD-UHFFFAOYSA-N 311.349 2.343 0 40 DEAB CCc1ccc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)o1 95980352 VQDOVSIMSMXTEP-CYBMUJFWSA-N 303.362 2.396 0 40 DEAB Cn1cc(N2CCN(C(=O)C(C)(C)c3cccs3)CC2)cn1 74395306 MPKWXKXCNMIPKX-UHFFFAOYSA-N 318.446 2.108 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)C[C@@H]2CCCO2)n1 75129701 CXTOLAKKXNRAMD-CVEARBPZSA-N 305.422 2.450 0 40 DEAB COc1ccc(OC)c(CNS(=O)(=O)c2ccccc2)c1 24452243 NKNQGJCKRSLYER-UHFFFAOYSA-N 307.371 2.182 0 40 DEAB C[C@@]1(C(=O)Nn2cnc3ccccc32)Cc2ccccc2C(=O)O1 69641441 FNNFICPKMRKASK-SFHVURJKSA-N 321.336 2.278 0 40 DEAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@H]2O1 409044920 DIURSJFUFPQRDU-BRXULGCHSA-N 319.744 2.182 0 40 DEAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCCC(C)(C)C 77662302 RBUXKGBCONVFKP-CHWSQXEVSA-N 318.483 2.420 0 40 DEAB CN1CCCC[C@@]1(C)C(=O)N1CCC(c2cnccn2)CC1 72367315 VVRFQARFBJEXQZ-KRWDZBQOSA-N 302.422 2.057 0 40 DEAB O=C(Cc1ccccc1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36070983 WXUNRVFLKMGLCR-SFHVURJKSA-N 320.392 2.197 0 40 DEAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCN1CCOCC1 216449547 OHXXJHMYVIWGJU-OAHLLOKOSA-N 320.433 2.026 0 40 DEAB O=C(NCC[C@@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 72243127 FHNMCHYBQRLJDY-OAHLLOKOSA-N 313.353 2.311 0 40 DEAB CS(=O)(=O)N1CCC[C@H](c2cnc(-c3ccccc3)cn2)C1 72360732 FJLYOTFJOZISSP-AWEZNQCLSA-N 317.414 2.283 0 40 DEAB CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1Cc1cccc(C(=O)O)c1 565104286 JEDLZNLLIPHJQZ-YESZJQIVSA-N 319.401 2.401 0 40 DEAB Cc1sc(C(=O)O)cc1CN1CCC[C@H]1Cn1ccnn1 565105445 ONBLGXLNDDSFGD-LBPRGKRZSA-N 306.391 2.011 0 40 DEAB O=C(CNC(=O)c1cc(F)c(O)c(F)c1)Cc1ccccc1 135257386 PZDBDMGBBMIYPR-UHFFFAOYSA-N 305.280 2.212 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)c2cc(CC(C)C)n[nH]2)o1 80901846 LWCUUTKWDKOILY-MRXNPFEDSA-N 305.378 2.147 0 40 DEAB Cc1nc(C(=O)N2CCN(c3ccccn3)CC2)c(C)s1 82315727 FKFWFYIDPVXVES-UHFFFAOYSA-N 302.403 2.117 0 40 DEAB CC(C)(CO)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 199402985 CLDHJZHZGIQYLA-UHFFFAOYSA-N 324.852 2.439 0 40 DEAB Cc1nnc(CN2CC[C@@H](CN(C)Cc3scnc3C)C2)o1 195269029 PNEGPDVZWNFBPZ-ZDUSSCGKSA-N 321.450 2.097 0 40 DEAB CCC[C@H](C)N1C[C@@H](C(=O)NCc2ccc(F)cc2)CC1=O 40156605 ZRFGWARZDYKLNW-JSGCOSHPSA-N 306.381 2.479 0 40 DEAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222419575 HGGBDSRGLYPJOH-ZBURPKILSA-N 308.381 2.418 0 40 DEAB CCCc1nc(CN2CCN([C@@H](C)c3ccccn3)CC2)no1 97378394 FICODFZRQWTQOF-AWEZNQCLSA-N 315.421 2.296 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CC1)CN(Cc1nccs1)C2 96044899 BDPQGQFQSAQFPO-CYBMUJFWSA-N 318.446 2.403 0 40 DEAB COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1nccs1 96197854 UGMGXHBNBGGYMN-AWEZNQCLSA-N 318.446 2.495 0 40 DEAB O=C(N[C@H](CCO)C1CCOCC1)c1cccc2c1CCC2 331725430 LXOAIDXIDYCZCO-QGZVFWFLSA-N 303.402 2.083 0 40 DEAB Cc1csc(COC(=O)c2cnn(C)c2-n2cccc2)n1 96442921 YMEJRWLNHIJQOJ-UHFFFAOYSA-N 302.359 2.333 0 40 DEAB CN1CCC(O)(CNCc2ccc(F)c(C(F)(F)F)c2)CC1 95440120 ZYSRDEFQIDRCQA-UHFFFAOYSA-N 320.330 2.391 0 40 DEAB Cn1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)nn1 579959119 ZNCSIJWRNGBGOC-AWEZNQCLSA-N 310.361 2.202 0 40 DEAB O=C(NC1CC1)c1cc(NC[C@@H](O)C2CC2)nc2ccccc12 96444361 BYZSAIGZWDBJTG-MRXNPFEDSA-N 311.385 2.310 0 40 DEAB CC1(C2CCN(c3nnc(-c4ccon4)s3)CC2)OCCO1 330032917 UUYWXSFJCCGEAH-UHFFFAOYSA-N 322.390 2.173 0 40 DEAB COCC(=O)N1CC[C@@H](N(C)C(C)C)[C@@H]1Cc1ccccc1 96061679 ZOAZUXZNLKUUQJ-SJORKVTESA-N 304.434 2.185 0 40 DEAB Cc1cc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)n(C)n1 96192936 ACYNSUCQYSVFIB-INIZCTEOSA-N 316.336 2.389 0 40 DEAB CCCn1nc(C)c(C(=O)N2C[C@H]3C[C@H](OC)C[C@H]3C2)c1C 257264663 LVMVSTULWAMZCE-FICVDOATSA-N 305.422 2.407 0 40 DEAB Cc1cn2c([C@@H]3CCCN3C(=O)CCC(=O)O)cccc2n1 257296785 REKASDIKPPGNRJ-LBPRGKRZSA-N 301.346 2.171 0 40 DEAB CC(C)n1ccnc1CN1CCCC[C@]2(C)NC(=O)CC[C@H]12 257310212 UEEAVNJXKHEJNA-YOEHRIQHSA-N 304.438 2.487 0 40 DEAB Cc1cc(CN(C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)no1 257294241 QTDSUHDEEHWVDT-IKGGRYGDSA-N 302.374 2.386 0 40 DEAB Cc1cn(-c2ccc(F)cc2)nc1C(=O)NCCc1ncc[nH]1 252492544 MOXMZJXBWAYZBJ-UHFFFAOYSA-N 313.336 2.015 0 40 DEAB N=C(NNC1=Nc2cccc3c2[C@@H](CCC3)N1)c1ccccn1 255187085 BFHDYWMTCZPNEI-CYBMUJFWSA-N 306.373 2.169 0 40 DEAB O=C(Cc1cccc2ccccc12)N1CC(Nc2ccncn2)C1 618255715 ICRCNYYFAFCPRD-UHFFFAOYSA-N 318.380 2.495 0 40 DEAB COC(=O)N1CCC(CNC(=O)CCc2ccccc2F)CC1 96120367 LABZJPVJCXZPTO-UHFFFAOYSA-N 322.380 2.353 0 40 DEAB C=CC(=O)N1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 585292618 PRQHXRCUJAQNEQ-LLVKDONJSA-N 315.402 2.487 0 40 DEAB COc1ccc(CNC(=O)Nc2cccnc2OC)cc1OC 48310396 HFFWETFKWWNTQA-UHFFFAOYSA-N 317.345 2.429 0 40 DEAB C[C@@H](Nc1ccc(OCC(F)(F)F)nc1)C(=O)N1CCCC1 56156103 QNXIRZACHTWYNI-SNVBAGLBSA-N 317.311 2.446 0 40 DEAB Cn1ccnc1CCNC(=O)CCSc1ccccc1F 69349193 OXWWMDBZBVIJNC-UHFFFAOYSA-N 307.394 2.400 0 40 DEAB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1cccs1 69705431 AFKIZKHCGVHJGI-MRVPVSSYSA-N 319.415 2.211 0 40 DEAB CCOC(=O)CCN(CC1CC1)C(=O)Cc1ccn(C(C)C)n1 71916496 HWTRCUPQEVPNKA-UHFFFAOYSA-N 321.421 2.198 0 40 DEAB Cn1ccnc(NC(=O)c2ccc(-c3ccccc3F)o2)c1=O 78968298 FOJRKDUQHKORDB-UHFFFAOYSA-N 313.288 2.432 0 40 DEAB O=c1[nH]c(-c2ccccn2)nc2c1CCN(Cc1ccccc1)C2 12154524 TVYKFFLXJMPOQR-UHFFFAOYSA-N 318.380 2.390 0 40 DEAB O=C(COc1ccc(C(=O)O)cc1Cl)NCc1ccco1 13084795 AEYNVQPCNILIJL-UHFFFAOYSA-N 309.705 2.326 0 40 DEAB Cc1nc([C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)cc(=O)[nH]1 19285230 ZXYNEDSDOQHITQ-GFCCVEGCSA-N 305.328 2.346 0 40 DEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)N1CCCCC1 19822709 QSYDCUZBAKGRDJ-UHFFFAOYSA-N 301.795 2.126 0 40 DEAB CCCn1nnnc1COc1ccc2c(C)cc(=O)oc2c1 7897956 YCUWGCHEDWIWNH-UHFFFAOYSA-N 300.318 2.077 0 40 DEAB COC(=O)[C@@H]1CC12CCN(C(=O)COc1ccc(F)cc1)CC2 265042737 KEQIYCOMEVFSIZ-AWEZNQCLSA-N 321.348 2.006 0 40 DEAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCOC 11694387 SUESDOGDBUIJRP-UHFFFAOYSA-N 321.352 2.176 0 40 DEAB CN1Cc2nccn2C[C@]12CCN(C(=O)[C@]1(C)CC=CCC1)C2 2055772948 BVLIUDDDVONCIT-MSOLQXFVSA-N 314.433 2.046 0 40 DEAB Cc1cccc(CS(=O)(=O)Nc2cnc3cc(C)nn3c2)c1 206739063 OUTWYSCYWMTGHH-UHFFFAOYSA-N 316.386 2.288 0 40 DEAB CN(C)CCCNS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861100 XZURHUFKHNTNJP-UHFFFAOYSA-N 318.442 2.168 0 40 DEAB O=C(NCC1(N2CCOCC2)CCCCC1)[C@@H]1CC=CCC1 40009632 DIHFHBGTZWQQHQ-MRXNPFEDSA-N 306.450 2.494 0 40 DEAB CC(=O)N1[C@H](c2c(F)cc(F)cc2F)SC[C@H]1C(=O)O 31822 RGNOXUJJWODZFC-ONGXEEELSA-N 305.277 2.151 0 40 DEAB Cc1cc(CN2CCN(C(=O)/C=C/c3cccs3)CC2)no1 40465476 PNRNRSQTODKFKW-SNAWJCMRSA-N 317.414 2.402 0 40 DEAB Cc1csc(NC(=O)C2CCN(c3ncccn3)CC2)n1 40543544 VRCHNGLRQHVUCK-UHFFFAOYSA-N 303.391 2.097 0 40 DEAB CN(C)[C@@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccsc1 40500867 OUIUZHJXZURNDK-HOCLYGCPSA-N 316.426 2.471 0 40 DEAB CNc1nc(Oc2ccc(C(=O)OC)cc2)nc(SC)n1 200258 SIUPKCLIHKINBJ-UHFFFAOYSA-N 306.347 2.214 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 6947574 GRNLVRNFCDFSRK-UHFFFAOYSA-N 313.309 2.481 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccccc2F)C[C@H](C)O1 21055142 YDCUGGFPZRJTDI-STQMWFEESA-N 308.397 2.443 0 40 DEAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(F)cccc1F 7552171 QNGXTVJDXDXAJX-GFCCVEGCSA-N 312.341 2.273 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CCN1CC[C@@H](c2ccccc2)C1 69698158 TXGRUIGDZIWBQY-OAHLLOKOSA-N 317.433 2.490 0 40 DEAB CN1C(=O)CC[C@H](C(=O)Nc2ccon2)[C@@H]1c1ccccc1F 57355147 DSJGMNXARNEDTH-NHYWBVRUSA-N 317.320 2.362 0 40 DEAB Cn1ncn2c(=O)c3c(nc12)-c1ccccc1CC31CCCC1 494493 JPLCZFIBKMJYKL-UHFFFAOYSA-N 306.369 2.463 0 40 DEAB O=C(NCC[C@H](O)C(F)(F)F)N[C@H]1CCc2ccc(F)cc21 71914986 UXSJZPVWXSVGIK-RYUDHWBXSA-N 320.286 2.426 0 40 DEAB CCOC(=O)C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 2788020 KDONSVQUKIXCTL-UHFFFAOYSA-N 307.737 2.086 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[C@H](C(N)=O)C1 46941208 JHAMYHCXUKJTNH-AAEUAGOBSA-N 319.405 2.118 0 40 DEAB NC(=O)[C@@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 23103954 PGSBJKOJDDFKKM-SSDOTTSWSA-N 307.703 2.456 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCC(CN3CCOCC3)CC2)c1 47423080 DTNAZSQJVZFXHW-UHFFFAOYSA-N 316.445 2.488 0 40 DEAB O=C(COC(=O)c1ccco1)Nc1cccc2nsnc12 23410731 LOCAXVBKQPOTNV-UHFFFAOYSA-N 303.299 2.080 0 40 DEAB O=c1cnc2cc(Br)c(Br)cc2[nH]1 34293062 ZMQUHZGMULKJKD-UHFFFAOYSA-N 303.941 2.448 0 40 DEAB CCCCn1nnnc1Cn1nc(C)c(Br)c1C 69774335 CATYKWIWDWXJJE-UHFFFAOYSA-N 313.203 2.097 0 40 DEAB C[C@H](O)[C@H]1CCN(C(=O)N[C@H](C)COc2ccc(F)cc2)C1 108468641 NDAKMVHBXKRREY-AGIUHOORSA-N 310.369 2.005 0 40 DEAB COC(=O)c1ccc(OS(=O)(=O)c2ccccc2)c(OC)c1 2069797 ULUQSFJRHMZRFD-UHFFFAOYSA-N 322.338 2.250 0 40 DEAB Cc1nc2ccccc2n1CCCNC(=O)CN(C)C(C)C 58015460 BGCAXUPALMGQOY-UHFFFAOYSA-N 302.422 2.191 0 40 DEAB O=C(Nc1nncs1)N(Cc1ccncc1)C[C@H]1CCCO1 58082658 MAXSAFSPVFIXSJ-GFCCVEGCSA-N 319.390 2.146 0 40 DEAB CCNC(=O)CN(CC)C(=O)COc1ccc2ccccc2c1 27444055 OUPUFCHVVUTDSD-UHFFFAOYSA-N 314.385 2.203 0 40 DEAB Cn1nc(C(=O)N[C@@H]2CCc3ccccc32)c2ccccc2c1=O 44890824 AYKLEVLCGJJDAI-MRXNPFEDSA-N 319.364 2.351 0 40 DEAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1COc2ccccc2C1 44891927 CXMUGZZZIDMPNO-CQSZACIVSA-N 321.380 2.473 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)Cc1noc2ccccc12 58292910 QDMSMDNJVOESDJ-UHFFFAOYSA-N 319.361 2.011 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@H](c1ccccc1)N(C)C 58392237 XDTOCJRGWDHAOZ-QGZVFWFLSA-N 315.465 2.187 0 40 DEAB O=C(c1cc(Br)c2c(c1)OCCO2)N1CCCC1 58367475 IQHWQXLVVVFDQI-UHFFFAOYSA-N 312.163 2.456 0 40 DEAB CC1(C)NC(=O)N(CCN2CCC[C@H]2c2cccs2)C1=O 28081679 IRBZPKWBPRQSBT-NSHDSACASA-N 307.419 2.215 0 40 DEAB CN(CCOc1ccccc1)C[C@H](O)COc1ccccc1 3311804 XMHPOBVTXUTADF-INIZCTEOSA-N 301.386 2.437 0 40 DEAB COc1cc(C)c(NC(=O)[C@H](NC(C)=O)C(C)C)cc1OC 12868831 DFARCZXWQIUNEE-OAHLLOKOSA-N 308.378 2.111 0 40 DEAB COc1cc(C)c(NC(=O)COc2cc(C)on2)cc1OC 12889835 NWSRHNPTUSCFBE-UHFFFAOYSA-N 306.318 2.326 0 40 DEAB Cn1cc(NC(=O)Cc2csc(C(C)(C)C)n2)cc1C(N)=O 69508901 JQXQVPCXFRFVDT-UHFFFAOYSA-N 320.418 2.059 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)CCc2ccco2)CC1 69875118 DZIWEYKGSWRBIH-UHFFFAOYSA-N 314.389 2.130 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCN(CC(C)(C)O)CC2)s1 69807895 BNWVUJBOMKMOKR-ZIAGYGMSSA-N 322.474 2.075 0 40 DEAB CN1C(=O)[C@@H](C(=O)O)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 13517660 JUWAKUBFCACRJR-PLNCSYRRSA-N 301.342 2.222 0 40 DEAB Cc1cc(NC2CCN(C(=O)c3ccoc3)CC2)nc(C)n1 65434631 IXGJKIVWJGDSJK-UHFFFAOYSA-N 300.362 2.403 0 40 DEAB O=C(NC1CC1)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 65565346 AJBLQUXRLYKPCY-UHFFFAOYSA-N 314.242 2.317 0 40 DEAB CCCCCCNC(=O)Cc1c(O)[nH]c2ccccc2c1=O 18284304 YIIDXBFSQYBOGM-UHFFFAOYSA-N 302.374 2.473 0 40 DEAB Nc1cc(N)nc(SCC(=O)c2ccc(Cl)s2)n1 6533398 BTGLKYZTJSMJHS-UHFFFAOYSA-N 300.796 2.331 0 40 DEAB Cc1cc(N)nc(SCC(=O)Nc2ccc(F)c(F)c2)n1 7047917 JZKTZVFUHVDUCS-UHFFFAOYSA-N 310.329 2.376 0 40 DEAB Cc1ccc(Cn2ccs/c2=N\C(=O)c2cnccn2)cc1 15652044 KRWMKEBHKQRDFX-MNDPQUGUSA-N 310.382 2.437 0 40 DEAB NS(=O)(=O)c1cnc(NCc2ccc(Cl)s2)s1 71186053 SCDQMQNZWLZOCZ-UHFFFAOYSA-N 309.825 2.118 0 40 DEAB Cc1ccc(OCC(=O)NC[C@H](c2ccco2)N(C)C)cc1 15831446 YJYFNBJCYHUIHW-OAHLLOKOSA-N 302.374 2.386 0 40 DEAB Cc1cc(C)c(CNC(=O)CCOc2ccccc2)c(=O)[nH]1 16511005 BWBBSSACHMUWOK-UHFFFAOYSA-N 300.358 2.077 0 40 DEAB O=C(NCCc1ccc2c(c1)CCO2)N[C@@H]1CCCC[C@@H]1CO 81495697 VOIYOLODADNBNX-HZPDHXFCSA-N 318.417 2.014 0 40 DEAB O=c1[nH]c2sc3c(c2c2nc(-c4ccncc4)nn12)CCC3 9420721 RWYSFVOWKXIANQ-UHFFFAOYSA-N 309.354 2.183 0 40 DEAB Cn1cc([C@H]2NC(=O)c3cccnc3N2)c(-c2cccs2)n1 93882806 UXBJOVGBQUWBJI-CQSZACIVSA-N 311.370 2.398 0 40 DEAB Cc1sc(NC(=O)[C@@H]2Cc3ccccc3O2)c(C(N)=O)c1C 71795842 QNYQTHUBKNCEOE-LBPRGKRZSA-N 316.382 2.406 0 40 DEAB O=C(NCc1cccc2c1OCO2)c1cc2ccccc2c(=O)[nH]1 71821452 YZRHNISNFSUMQQ-UHFFFAOYSA-N 322.320 2.187 0 40 DEAB CCc1oc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1C 83817481 NCRXFNNLDCVYLO-UHFFFAOYSA-N 322.386 2.359 0 40 DEAB CN1CCC[C@H](NC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)C1 83877835 KGZTYPGXSNNQMS-INIZCTEOSA-N 311.385 2.070 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1=NCCS1 9743934 QSXJQBOPSDYTQW-AAEUAGOBSA-N 319.430 2.050 0 40 DEAB Cc1nccc(CNC(=O)Nc2cc(-c3nnco3)ccc2C)n1 72290954 ZTQSTLHODBGGMI-UHFFFAOYSA-N 324.344 2.465 0 40 DEAB Cc1cnc(C(=O)NC2(C(=O)OC(C)(C)C)CCCC2)cn1 72287366 UYMKDOGUXHSAEY-UHFFFAOYSA-N 305.378 2.169 0 40 DEAB Cc1ccsc1C(=O)N1CCC[C@@H](n2cc(C(=O)O)cn2)C1 97032636 ZXQYXQNLIGGSJG-GFCCVEGCSA-N 319.386 2.429 0 40 DEAB CC(C)c1nnc(CNC(=O)Cc2ccc(F)c(F)c2)n1C 97114689 VTPHHJUVXABLDA-UHFFFAOYSA-N 308.332 2.076 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)cn3)C2)no1 76017932 PIODDGWRXACTHC-SNVBAGLBSA-N 306.753 2.446 0 40 DEAB CC(C)Nc1cccc(C(=O)NCCCN2CCC(O)CC2)c1 84620711 HERYGFWSZGEAEI-UHFFFAOYSA-N 319.449 2.084 0 40 DEAB C[C@H](CCN1CCCC1=O)NCc1cccc2c1OCCCO2 95395129 DYXHSLDBQBDYRD-CQSZACIVSA-N 318.417 2.339 0 40 DEAB CSc1nsc(NC(=O)c2cnn(C)c2-n2cccc2)n1 79055586 UCLOHWUHEOORFE-UHFFFAOYSA-N 320.403 2.037 0 40 DEAB O=S(=O)(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 95437349 HMZKGFYZAKWFOK-ZNMIVQPWSA-N 307.415 2.313 0 40 DEAB O=C(Cc1ccon1)N1CCN(c2ccc(F)cc2Cl)CC1 95441667 XYWUFOAQVLXGAK-UHFFFAOYSA-N 323.755 2.358 0 40 DEAB COc1ccccc1S(=O)(=O)Nc1c(C(F)F)n[nH]c1C 95457220 BVVXZTAIMOQXDP-UHFFFAOYSA-N 317.317 2.465 0 40 DEAB O=C(CN1CCC[C@@H]1CO)Nc1ccc2nc(C3CC3)oc2c1 95453204 MJMZWDQGJGYPMS-CYBMUJFWSA-N 315.373 2.100 0 40 DEAB CCc1ccc(CC)c(NC(=O)N2CCCN(C(N)=O)CC2)c1 89284659 GQWPPPZQSNMRLK-UHFFFAOYSA-N 318.421 2.430 0 40 DEAB c1ccc2c(c1)CO[C@@]21CCN(c2cncc(-n3cccn3)n2)C1 547443624 NMDKUHUBALTGRE-GOSISDBHSA-N 319.368 2.298 0 40 DEAB Cc1noc(C)c1-c1cccc(N2C[C@@H](C(=O)O)CC2=O)c1 514951412 RGIMWDILCDIMJS-LBPRGKRZSA-N 300.314 2.396 0 40 DEAB O=C(Nc1ccc(F)nc1)[C@@H]1CCN(C(=O)c2ccccc2)C1 1517596084 YZXRGBAMPGRCOM-CYBMUJFWSA-N 313.332 2.322 0 40 DEAB O=S(=O)(NC1CCN(CC2CCCCC2)CC1)C1CC1 365606710 LDYMBTSJXOMOOI-UHFFFAOYSA-N 300.468 2.113 0 40 DEAB COc1cccc(NC(=O)CCN2CCC[C@@H](CCO)C2)c1 72636319 BYQRMHYBWPXBMY-AWEZNQCLSA-N 306.406 2.118 0 40 DEAB O=C(CC[C@H]1NC(=O)c2ccccc2N=C1O)Nc1cccnc1 35598216 RFHLHCQFMJIYNR-CQSZACIVSA-N 324.340 2.201 0 40 DEAB Cc1nc(CN2CCC(C(N)=O)(c3ccccc3)CC2)cs1 76731351 MBODCGIWXKSXHM-UHFFFAOYSA-N 315.442 2.471 0 40 DEAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2cccc(F)c2)cc1OC 72227620 XAUAMXADFQTYAR-HZPDHXFCSA-N 316.332 2.258 0 40 DEAB O=C(Nc1nnc(C2CCCCC2)s1)c1cccc[n+]1[O-] 46085467 LIXSMFFDMLMGDB-UHFFFAOYSA-N 304.375 2.472 0 40 DEAB CC(=O)c1csc(C(=O)N2CCC(O)(C(F)(F)F)CC2)c1 89947721 VMNOJAVFWGSUGB-UHFFFAOYSA-N 321.320 2.480 0 40 DEAB Cc1ccccc1CCCN1CCC[C@H](N2CCNC2=O)C1 84677957 XTNOHVHNXDQCRK-KRWDZBQOSA-N 301.434 2.417 0 40 DEAB COc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 41847715 KLTZDNGDHKGAKI-UHFFFAOYSA-N 316.401 2.170 0 40 DEAB CCOCCOC(=O)c1snnc1-c1ccc(OC)cc1 223836949 GYBBKJVBSQVQBD-UHFFFAOYSA-N 308.359 2.407 0 40 DEAB O=C(Cc1ccn[nH]1)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 96496661 PEZZJCPKVMIMAS-LLVKDONJSA-N 322.771 2.140 0 40 DEAB COCCn1cc2c(n1)[C@H](CNCc1ccc(F)cc1)OCC2 96059700 CIDAQCXJGDKXPY-INIZCTEOSA-N 319.380 2.072 0 40 DEAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccc(C)o1 96060548 NYOCUTSCZBVFAN-INIZCTEOSA-N 316.405 2.335 0 40 DEAB COC(=O)[C@@H](NC(=O)CCn1cnc2ccccc21)C(C)(C)C 96411664 FFTSDGYJXUXIJM-OAHLLOKOSA-N 317.389 2.130 0 40 DEAB CC(C)n1cc(S(=O)(=O)NC2(c3ccccc3)CC2)cn1 96427888 KSEPQSUDXJPRKL-UHFFFAOYSA-N 305.403 2.432 0 40 DEAB COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1 96206766 PSEFJMIOKMEYFK-IHVVCDCBSA-N 317.414 2.263 0 40 DEAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(c1ncccn1)CC2 96199647 AWWFTAXLCSWTQC-MRXNPFEDSA-N 322.412 2.462 0 40 DEAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccccn4)C[C@H]3O2)n1 96058243 FTDDKGSEKPXXFW-AEGPPILISA-N 300.362 2.125 0 40 DEAB Cn1c(CN2CCN(Cc3ccccn3)CC2)nc2ccccc21 96835612 PGPKBIMCOMABAW-UHFFFAOYSA-N 321.428 2.286 0 40 DEAB O=C1OCCN1CCSc1ncccc1Br 96411942 JCIYPRCBVGSTJR-UHFFFAOYSA-N 303.181 2.388 0 40 DEAB COCC[C@H]1COC2(CCN(C(=O)c3ccncc3)CC2)C1 96220205 UOYBQMLSYXUHDO-CQSZACIVSA-N 304.390 2.129 0 40 DEAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN([C@@H]1CCOC1)CC2 96254192 WSNMKQCMZYUFPM-CYBMUJFWSA-N 317.437 2.018 0 40 DEAB Cc1ccc(-c2cccc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)c2)o1 96136464 WZPLRVSTLULTBK-FUHWJXTLSA-N 315.369 2.213 0 40 DEAB CN(C[C@@H]1CCS(=O)(=O)C1)c1ccc2ccc(F)cc2n1 95403266 MRANEIOTFHXBFJ-NSHDSACASA-N 308.378 2.245 0 40 DEAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1 96041446 NTUJXWUQHSISAQ-LZLYRXPVSA-N 303.402 2.414 0 40 DEAB CC(C)(O)[C@H]1CCCN1C(=O)c1cc2c(cc1F)NC(=O)CC2 96487223 FBZZXUPYTPJOHC-CQSZACIVSA-N 320.364 2.086 0 40 DEAB CCC1(CC)CN([C@H](C)c2nc(C)cc(O)n2)CC[S@]1=O 248768080 SBDVGJGAZYUHMT-XUSGNXJCSA-N 311.451 2.175 0 40 DEAB COc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 245377216 IYYCNRSLERBFNP-XEZPLFJOSA-N 316.401 2.305 0 40 DEAB CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)[C@H]2CCO[C@H]21 252587145 VVHHGIRHDJVRCF-KLHDSHLOSA-N 300.402 2.195 0 40 DEAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cc(C)on2)n1 257210961 BWWRUMSTGQLZNU-KRWDZBQOSA-N 314.389 2.351 0 40 DEAB CCC[C@@H](C)CS(=O)(=O)NC(=O)Cc1nc(C)sc1C 252478039 AARCBCSKDHZWND-SECBINFHSA-N 318.464 2.185 0 40 DEAB CC(=O)N1CCC(Cc2cc(-c3nccs3)ncn2)CC1 257267064 MFUOUJPBNXYDLD-UHFFFAOYSA-N 302.403 2.401 0 40 DEAB O=C(c1cccs1)N1CC[C@H]2CN(Cc3ccncc3)C[C@H]21 585107643 DLUSSRRDIIYKGQ-LSDHHAIUSA-N 313.426 2.490 0 40 DEAB CO[C@H](C(=O)N1CCN(c2nccs2)CC1)c1ccccc1 44949407 ZNMYMCUBCCWYRC-AWEZNQCLSA-N 317.414 2.179 0 40 DEAB CC(C)NC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2O)C1 48029687 AYOGZHJYHXZFJB-GFCCVEGCSA-N 305.378 2.161 0 40 DEAB C[C@@H](Cc1ccccc1Cl)NC(=O)CCCn1cncn1 56690806 ZEFNFXPJEBBEFZ-LBPRGKRZSA-N 306.797 2.459 0 40 DEAB CN1CCC(N(C)C[C@@H](NC(=O)C2CC2)c2ccccc2)CC1 64421618 VHLUKNDYQHQHLR-GOSISDBHSA-N 315.461 2.280 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCCCCN2CCCCC2)CC1=O 69739301 HKVBRGIGDOBBFF-INIZCTEOSA-N 323.481 2.016 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCc2cccc(CO)c2)C12CCC2 74108772 KMIFXTYCCIHCTO-HOTGVXAUSA-N 318.417 2.326 0 40 DEAB Cc1cc(F)ccc1CCNC(=O)NCCCn1cccn1 87055794 SWQPFNMMZVRBDK-UHFFFAOYSA-N 304.369 2.263 0 40 DEAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1OC 7071470 ZYCCRKQMIJWFNM-ZDIKFAODSA-N 304.346 2.395 0 40 DEAB CC(C)c1ccccc1OC[C@H](O)CNCCCn1ccnc1 5862979 TXQYAUAFXZOSLW-MRXNPFEDSA-N 317.433 2.426 0 40 DEAB CSCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 5450946 YPMYDSHISNOZST-ZDUSSCGKSA-N 306.387 2.033 0 40 DEAB biogenic,in-vitro CN(C(=O)c1ccncc1Cl)c1c(F)cccc1C(N)=O 153227531 OGTKOHZPVSJXFV-UHFFFAOYSA-N 307.712 2.250 0 40 DEAB Cc1c(C(=O)N(C)Cc2ccco2)cnn1C1CCOCC1 157913168 XTIQVZOMWVXKQW-UHFFFAOYSA-N 303.362 2.408 0 40 DEAB CO[C@](C)(CNC(=O)NC1CCOCC1)c1ccccc1F 225558456 WOJHVYHITVYHDR-MRXNPFEDSA-N 310.369 2.166 0 40 DEAB Fc1ccccc1N1CCN(c2cc(-n3cccn3)ncn2)CC1 1888903792 DRYAQAYFPURGGZ-UHFFFAOYSA-N 324.363 2.128 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)cc1C 32217323 LQUUSYIXUUXCHQ-ZDUSSCGKSA-N 311.403 2.321 0 40 DEAB Cc1ccc(N(C(=O)C2CC2)[C@H]2C=CS(=O)(=O)C2)cc1C 4165423 ABXHDAWEABUKAB-HNNXBMFYSA-N 305.399 2.357 0 40 DEAB CSCC[C@@H](O)CNS(=O)(=O)c1ccc(C)c(Cl)c1 1775967497 UERLZUWCTBFINO-SNVBAGLBSA-N 323.867 2.041 0 40 DEAB Cn1ccnc1CNC(=O)NC[C@@H]1SCCc2ccccc21 96455060 SEBSSFBUABBGBU-AWEZNQCLSA-N 316.430 2.250 0 40 DEAB O=C(Nc1nc2c(s1)CCCC2)[C@@H]1CC(=O)N(CC2CC2)C1 40073528 DCFMSBUGDAGNAR-LLVKDONJSA-N 319.430 2.219 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(CCc2ccccc2)CC1 30563353 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O=C1CC[C@@H](C(=O)N(Cc2c(F)cccc2Cl)C2CC2)N1 69642632 DIWWFVCAECCTNG-ZDUSSCGKSA-N 310.756 2.249 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1nccn1C 100141045 PSJULNGGCUTXCE-JSGCOSHPSA-N 308.389 2.033 0 40 DEAB CC[C@@H](Oc1ccccc1F)C(=O)N1CCC(C(=O)OC)CC1 175094609 TYOWXNCCYJJYTL-CQSZACIVSA-N 323.364 2.395 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1ccc(NC2CC2)nc1 57191996 SNIDIDIHJPPZDZ-UHFFFAOYSA-N 307.357 2.462 0 40 DEAB O=C1CCC[C@@]2(CCCN(C(=O)OCc3ccccc3)C2)N1 91303122 IMXTWYGGGWCZMC-KRWDZBQOSA-N 302.374 2.458 0 40 DEAB in-vitro Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](O)C2)no1 27343824 VILBXWZXTUGDRA-GDBMZVCRSA-N 315.373 2.120 0 40 DEAB CC[C@@](C)(NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)OC 58282519 UUFLEXZROKQFTM-IUODEOHRSA-N 311.765 2.101 0 40 DEAB Cc1[nH]ncc1CCCNc1nc2sccc2c(=O)n1C 58201517 XDOVVAYUYUWLHP-UHFFFAOYSA-N 303.391 2.071 0 40 DEAB CCOC(=O)c1cc2cc(C(=O)N[C@H](C)COC)ccc2[nH]1 28096318 YDCRHPFSYPSNAT-SNVBAGLBSA-N 304.346 2.109 0 40 DEAB Cc1cc(C)nc(NNS(=O)(=O)c2ccc(Cl)cc2)n1 3396898 ONIHDLKWYFJODT-UHFFFAOYSA-N 312.782 2.052 0 40 DEAB CCOP(=O)(OCC)[C@@H]1NC(=O)N(c2ccccc2)C1=O 2316876 RNUGDOVXPVQUEB-NSHDSACASA-N 312.262 2.335 0 40 DEAB CCc1ccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 12993574 XVWPXWZPOURWCG-UHFFFAOYSA-N 324.388 2.067 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)s1 48671352 RYBDZNCISDPSSL-UHFFFAOYSA-N 314.476 2.305 0 40 DEAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccccc2F)C1 49170153 ZJDQRUQKIBKXSV-ZDUSSCGKSA-N 304.365 2.204 0 40 DEAB CN(C)C(=O)CNC(=O)CC(c1ccccc1)c1ccccc1 8358898 AAPFZXVLDNQKLM-UHFFFAOYSA-N 310.397 2.413 0 40 DEAB CCc1noc(-c2ccc(CCNC(=O)N3CCC3)cc2)n1 69876001 MGVRRPSVDSQUGK-UHFFFAOYSA-N 300.362 2.257 0 40 DEAB CCc1nnc(CN2CCN(c3nc(C)cs3)[C@H](C)C2)o1 69877260 PVQABJIQDMMWRN-LLVKDONJSA-N 307.423 2.108 0 40 DEAB Cc1ccc(CN(C)C(=O)Cc2n[nH]c(=O)c3ccccc23)o1 5264071 VIAXIEXVEMCJJI-UHFFFAOYSA-N 311.341 2.026 0 40 DEAB Cc1cc(C)cc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CCC2)c1 65492053 PYUKIUZCGWKWCD-CQSZACIVSA-N 300.402 2.059 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](n2cccn2)C1 65608548 IESSLJAGXHRHJF-DOMZBBRYSA-N 315.421 2.201 0 40 DEAB CC(C)c1noc([C@H](C)N2CCN(C[C@H]3CCCCO3)CC2)n1 69928327 ZREHECACPBZBES-LSDHHAIUSA-N 322.453 2.441 0 40 DEAB CN(c1nc2ccccc2o1)[C@H]1CCN(CC(F)(F)F)C1=O 69972069 IRDXEHFJBKPHRP-JTQLQIEISA-N 313.279 2.427 0 40 DEAB Cc1ccc(CN(C(=O)c2ccco2)[C@H]2CCS(=O)(=O)C2)o1 6810301 LOBDRHZZKZZBNP-LBPRGKRZSA-N 323.370 2.011 0 40 DEAB CCC[C@H]1NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 8707496 WXFGXMIIWMXZMP-CQSZACIVSA-N 317.389 2.149 0 40 DEAB Cc1sc2nc(CN3C[C@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 15911022 CVSRRFWQJAIKOX-DTORHVGOSA-N 307.419 2.211 0 40 DEAB Cc1cc(CNCC(C)(C)NS(C)(=O)=O)ccc1Cl 96002090 XNKLZCJOKHGMBV-UHFFFAOYSA-N 304.843 2.066 0 40 DEAB COCCNC(=O)Nc1ccc(OCc2cccnc2)cc1 71799358 WXBQIGSFKAYWBT-UHFFFAOYSA-N 301.346 2.429 0 40 DEAB O=C(NC[C@H](O)c1ccc2c(c1)OCCO2)Nc1cccs1 170284931 HQWNFUDGDFZKSU-NSHDSACASA-N 320.370 2.374 0 40 DEAB Cc1noc([C@H](C)N2CCN(c3ccc(Cl)cn3)CC2)n1 71833228 BYZIQLSXRPVMDV-JTQLQIEISA-N 307.785 2.310 0 40 DEAB O=C(/C=C/c1ccc(F)cc1)NCCc1nncn1C1CC1 71893453 FJOIAZMXUFQTIG-FPYGCLRLSA-N 300.337 2.124 0 40 DEAB Cc1csc([C@H]2CCCCN2C(=O)c2nccnc2N)n1 72285174 RZKJFNCBAZQYSZ-SNVBAGLBSA-N 303.391 2.191 0 40 DEAB CC(C)(C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269144 XENJAMUDHZGBDS-SJORKVTESA-N 316.445 2.022 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)no1 72232623 QKEFZIVTVOGTHU-CQSZACIVSA-N 300.362 2.112 0 40 DEAB COc1cc(NCc2ccco2)ccc1S(=O)(=O)N(C)C 97057764 XNRMGNCYASYTFW-UHFFFAOYSA-N 310.375 2.151 0 40 DEAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc[nH]2)CC1 75921688 QUJHMPQIVGIEIQ-UHFFFAOYSA-N 311.385 2.358 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1nc(C)oc1-c1ccccc1 97115900 FQWFCVNNOIQJBI-JTQLQIEISA-N 302.330 2.331 0 40 DEAB CC(C)(C)CC(=O)NCC(=O)N1CCOC[C@H]1c1ccccc1 76068311 XNRZOPBRRSSGNF-HNNXBMFYSA-N 318.417 2.139 0 40 DEAB CC(C)CS(=O)(=O)CC(=O)NC(C)(C)c1cccc(F)c1 76449741 QPLVHDPLPRBKLO-UHFFFAOYSA-N 315.410 2.248 0 40 DEAB Cc1nnc(CN2CCC(NC(=O)c3ccccc3C)CC2)o1 97490426 RTIWSHVUCOHUHM-UHFFFAOYSA-N 314.389 2.081 0 40 DEAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1CC(=O)N(C2CC2)C1 84563537 HHFOZBBOOKBQJQ-ZDUSSCGKSA-N 324.384 2.130 0 40 DEAB CN1CCN(Cc2cc(=O)n3ccccc3n2)c2cc(F)ccc21 72773923 NJGMIRINDJMVHI-UHFFFAOYSA-N 324.359 2.290 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)c1ccc2nc(S)oc2c1 85356789 ZKTVSVUQVHEXJA-UHFFFAOYSA-N 315.354 2.376 0 40 DEAB COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1cc(C(C)C)nn1C 95983615 NAEZRUOFNSHFQW-PXAZEXFGSA-N 321.421 2.395 0 40 DEAB C[C@@](NC(=O)c1cc(-c2cccs2)[nH]n1)(C(=O)O)C1CC1 95989604 LEISRRLKZWMYGP-AWEZNQCLSA-N 305.359 2.121 0 40 DEAB CCc1n[nH]c([C@@H]2CN(C(=O)CC3=CCCCC3)CCO2)n1 89289722 ZNDYXNGRPDGNOP-ZDUSSCGKSA-N 304.394 2.158 0 40 DEAB Cc1cc(C)nc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 89599436 NMJDYGIIJIWUTD-QZTJIDSGSA-N 324.428 2.183 0 40 DEAB Cc1ccncc1CN(C)C(=O)Cc1nnc(O)c2ccccc12 519738202 ITSLNBSXUJKUPP-UHFFFAOYSA-N 322.368 2.240 0 40 DEAB CCn1nncc1CNC(=O)Nc1ccc(Cl)cc1COC 529123249 OKIMVZZQCVJWJV-UHFFFAOYSA-N 323.784 2.420 0 40 DEAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1[C@@H](C)N 72223659 SFKRYPHFEPEKKN-CYBMUJFWSA-N 320.437 2.467 0 40 DEAB CCc1ccccc1O[C@H](C)C(=O)N1CCC(C(=O)OC)CC1 30864994 IXZVDLXDDKONBJ-CYBMUJFWSA-N 319.401 2.428 0 40 DEAB O=C(c1cc(=O)c2ccccc2o1)N1CCCN(C2CC2)CC1 61605950 JTXFJXOLZJWCEF-UHFFFAOYSA-N 312.369 2.103 0 40 DEAB Cn1cc([C@H]2CN(C(=O)Cc3cncs3)CC2(C)C)cn1 568213335 YZWRYTVFYFHSBU-CYBMUJFWSA-N 304.419 2.071 0 40 DEAB Cc1cc2c(=O)[nH]c(CSCC(=O)NC(C)C)nc2s1 44920380 QYXCEDWVAWUOBP-UHFFFAOYSA-N 311.432 2.051 0 40 DEAB O=C(NCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1 226761387 KNVISICYNUMTQS-UHFFFAOYSA-N 313.376 2.335 0 40 DEAB CC(C)c1nnc(CN2CCC[C@@H]2[C@@H]2COCC[C@@H]2O)s1 528494272 QJWLSVXZKHCJGV-XQQFMLRXSA-N 311.451 2.023 0 40 DEAB CC(C)(C)c1noc(-c2ccccc2N2CCC(=O)NC2=O)n1 20781890 SYNIZHXDVGXLPK-UHFFFAOYSA-N 314.345 2.480 0 40 DEAB CN(C)c1nccc(CN[C@@H]2CCOc3ccc(F)cc32)n1 195550717 RMWBKCZNYASVRO-CQSZACIVSA-N 302.353 2.295 0 40 DEAB CN1CCN(C(=O)CCc2ncc(C(C)(C)C)o2)C(C)(C)C1 193828316 ZWTVWZCVFYKEFS-UHFFFAOYSA-N 307.438 2.457 0 40 DEAB O=S(=O)(CCn1ccnc1-c1ccccn1)c1ccccc1 96484740 WMYNSBQNLKGXHX-UHFFFAOYSA-N 313.382 2.419 0 40 DEAB COCCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2)C1 96046503 GFRWLQZWFKRBOI-SFHVURJKSA-N 320.408 2.287 0 40 DEAB Cc1cccc(CN2CC[C@@]3(CCN(c4ncccn4)C3)C2=O)c1 96159601 KAZRMDQPQAODEQ-IBGZPJMESA-N 322.412 2.414 0 40 DEAB Cc1cccc(CN2CCC[C@@]23CCN(c2nncs2)C3)n1 96203082 IDIBMJHUCHXNCY-INIZCTEOSA-N 315.446 2.486 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1 96073441 YPAJREOMJNOQIR-YOEHRIQHSA-N 304.390 2.129 0 40 DEAB CC(C)Cc1ccc(C(=O)Cn2cnnc2[S@@](C)=O)cc1 96447776 JZUIGNPOHPKJIB-NRFANRHFSA-N 305.403 2.097 0 40 DEAB O=C(N[C@@H](CO)c1ccc(Cl)cc1)[C@@H](C1CC1)N1CCCC1 97376636 FBNTYRICAMYNQI-JKSUJKDBSA-N 322.836 2.364 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 96319200 PGEIZJSFZFELLW-HZPDHXFCSA-N 302.418 2.377 0 40 DEAB Cc1cc(O)cc([C@@H]2CN(C(=O)Cc3ccccc3)CCO2)n1 257310710 UGFDVARHKUNSHZ-KRWDZBQOSA-N 312.369 2.238 0 40 DEAB CNc1cc([C@@H]2CCCN2CC(=O)N2CCCCC2)ccn1 257338867 YZFSQDSTTPIJHM-HNNXBMFYSA-N 302.422 2.273 0 40 DEAB Cc1ncsc1CN1CCO[C@@H](CCc2ccnc(N)c2)C1 257319823 VUFBNSBHZYUTEW-AWEZNQCLSA-N 318.446 2.262 0 40 DEAB C[C@]12CCCN(C(=O)COc3ccccc3)[C@H]1CCCC(=O)N2 257332299 XWRKNWHVXRRPCN-YJBOKZPZSA-N 316.401 2.115 0 40 DEAB O[C@@H]1C[C@@H](CN[C@H]2CCCSC2)N(Cc2ccccc2)C1 253370800 WJPJSWDUIBNVOU-YESZJQIVSA-N 306.475 2.107 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CN(c3ccnc(C)n3)CCO2)n1 257250887 JOLFOHIKPXRFNQ-MRXNPFEDSA-N 313.405 2.132 0 40 DEAB O=C(Cc1cccs1)NCc1ccnc([C@H]2CCCOC2)n1 257258560 KUOKVHYGOHHZAI-LBPRGKRZSA-N 317.414 2.291 0 40 DEAB Cc1c(NC(=O)c2cnc(C(=O)O)cn2)cnn1C1CCCC1 263428358 MSKUQPHANXOBMX-UHFFFAOYSA-N 315.333 2.047 0 40 DEAB CCc1ccc(NC(=S)N[C@@]2(C)CCS(=O)(=O)C2)s1 575421094 GLWLTHMVXSBDQA-LBPRGKRZSA-N 318.489 2.174 0 40 DEAB CC(=O)N1CC[C@H](Cc2nccnc2-c2cnc(C)s2)C1 585261139 OEEADNZMQIMGNO-GFCCVEGCSA-N 302.403 2.319 0 40 DEAB Cn1ccnc1CN[C@H]1CC[C@H](Oc2ccc(Cl)cc2)[C@@H]1O 585285792 TYDRZUWLVKLXGQ-OFQRWUPVSA-N 321.808 2.134 0 40 DEAB COCCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CC1 55409800 HBNTYASVGFXGFP-UHFFFAOYSA-N 318.402 2.160 0 40 DEAB CN(C)C(=O)CN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 66851239 WZFHJZAZXOOJNZ-CYBMUJFWSA-N 317.216 2.455 0 40 DEAB CC(C)[C@@H]1C(=O)NCCN1C(=O)Nc1cccc2cccnc12 69451654 KZMXOUSADBEMPI-OAHLLOKOSA-N 312.373 2.223 0 40 DEAB CCCNC(=O)C1(NC(=O)c2ccc(C)nc2)CCCCC1 69419175 FQABSWKCVQJSRM-UHFFFAOYSA-N 303.406 2.349 0 40 DEAB Brc1ncnc2[nH]c(I)cc12 575631013 HGLHCOIIOVSIBT-UHFFFAOYSA-N 323.919 2.325 0 40 DEAB Cc1cc(-c2cnn(CCNC(=O)C3CC3)c2C2CC2)on1 13226711 IKYCBSFBIFBYLS-UHFFFAOYSA-N 300.362 2.250 0 40 DEAB COc1ccc(/C=C2/SC(=O)N(CN(C)C)C2=O)c(OC)c1 13563494 CTRDTZXHMVMYNE-NTUHNPAUSA-N 322.386 2.259 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H](C)C1CCC1)CC2 164727161 KSAKZAHZTDYTIX-NWANDNLSSA-N 310.438 2.137 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc(OC(C)=O)cc2)C1=O 6296308 CRDLNPPQXARHQU-UKTHLTGXSA-N 321.354 2.295 0 40 DEAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cccc(F)c1 8477236 RJIZRFVPQCVRBO-UKTHLTGXSA-N 302.305 2.230 0 40 DEAB Cc1ccc([C@H]2CN(c3ncnc4c3ncn4C)CCO2)cc1 1776001269 IUMQNTNXMULUGQ-CQSZACIVSA-N 309.373 2.250 0 40 DEAB COc1ncc(-c2nc(Cc3ccccc3OC)no2)c(C)n1 245130897 VDHWWIGFTDGNKB-UHFFFAOYSA-N 312.329 2.443 0 40 DEAB Cc1ccc(CN2CCC(N(C)S(=O)(=O)C3CC3)CC2)cc1 2087144465 JXIYKMFCVAFWJR-UHFFFAOYSA-N 322.474 2.383 0 40 DEAB O[C@]1(c2ccc(Br)cc2)NN=C2CCCCCN21 3187573 FVCFAOXLRPGYSW-CYBMUJFWSA-N 310.195 2.344 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2nc(C(=O)O)cs2)c1 20332355 MGPSBWCSNOXZTR-UHFFFAOYSA-N 308.315 2.111 0 40 DEAB COc1ccc(CNC(=O)NC[C@@H](O)c2cccs2)cc1 75156124 VOTYVTVPVGZOJM-CYBMUJFWSA-N 306.387 2.290 0 40 DEAB CNC(=O)c1cc(NC(=O)N(C)Cc2ccco2)ccc1F 50088470 PHFCXCUVVISHAL-UHFFFAOYSA-N 305.309 2.442 0 40 DEAB O=C(NC1CC1)c1ccc(Cn2cnc3ccccc3c2=O)cc1 40286518 ISBLZCXROLNCTD-UHFFFAOYSA-N 319.364 2.337 0 40 DEAB COC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 145950 QHYHNAZQQBTXGP-UHFFFAOYSA-N 318.329 2.437 0 40 DEAB CCc1nnsc1C(=O)Nc1ccc(N2CCCC2=O)cc1 28732434 YZBSQJAOXGLQBP-UHFFFAOYSA-N 316.386 2.480 0 40 DEAB Cc1ccc(C(=O)NC(=O)Nc2ncc3c(n2)CCCC3=O)cc1 542822 PWYPERBETGLTHC-UHFFFAOYSA-N 324.340 2.266 0 40 DEAB O=C(NCCc1ccsc1)[C@H]1CCCN(c2cnccn2)C1 40509473 PZXDBZITQNFLRJ-AWEZNQCLSA-N 316.430 2.113 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1 40539261 JSBMHOFVZQYGBY-ZDUSSCGKSA-N 312.316 2.316 0 40 DEAB CCn1c(S)nc2cc(C(=O)N3CCCCC3)ccc2c1=O 17320471 FTZXRWZAKCHSDB-UHFFFAOYSA-N 317.414 2.331 0 40 DEAB O=C(NCc1ccoc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 45783713 BDFKLCYVCPPWEL-HNNXBMFYSA-N 314.341 2.327 0 40 DEAB CN(C)S(=O)(=O)c1csc(C(=O)Oc2ccccc2)c1 6680266 QCRFWNIPCSWPJL-UHFFFAOYSA-N 311.384 2.218 0 40 DEAB COc1cc(OC)nc([C@@H](SCCN)c2ccccc2)n1 1741994 XQOUJVGEKAZBMJ-AWEZNQCLSA-N 305.403 2.275 0 40 DEAB C[C@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2 46171829 MOZGXIGAOCZHDS-LBPRGKRZSA-N 319.382 2.497 0 40 DEAB Cc1ccc(CN(C)C(=O)CSc2nnc(N)s2)cc1 8389424 KSFACMRNLBQZSD-UHFFFAOYSA-N 308.432 2.179 0 40 DEAB Cn1ncc2c(O)nc(CN3CC[C@H]4CCCC[C@@H]4C3)nc21 52799127 AHNKIUAHWJMHMN-VXGBXAGGSA-N 301.394 2.081 0 40 DEAB CCC[C@H](C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 21931557 BAIRJWOGHAHWJA-QWHCGFSZSA-N 317.389 2.149 0 40 DEAB C[C@@H](Nc1c(NCc2ccncc2)c(=O)c1=O)c1ccccc1 102322194 RCLNDZFQGSHKES-GFCCVEGCSA-N 307.353 2.463 0 40 DEAB O=c1n(Cc2ccccc2F)nnn1-c1ccccc1Cl 29950345 ZVYLKBBWKYJMSP-UHFFFAOYSA-N 304.712 2.270 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NCCO)CC1 100177911 LMYVDHBXAZTXRN-IYBDPMFKSA-N 306.406 2.148 0 40 DEAB CCc1cc(C(=O)N2CCN(c3cnccn3)CC2)sc1C 25833630 RSEGYTFYCFQCOP-UHFFFAOYSA-N 316.430 2.371 0 40 DEAB CN(C)[C@@H](CNC(=O)Cc1csc(-c2ccco2)n1)C1CC1 47922502 AFUDULDXIZKTHL-ZDUSSCGKSA-N 319.430 2.402 0 40 DEAB O=C1CN(Cc2csc(-c3ccccc3Cl)n2)CCN1 57668253 ZBPFJXVZGVIQEH-UHFFFAOYSA-N 307.806 2.395 0 40 DEAB COc1ccccc1CNC(=O)N[C@@H](C)COCC(F)(F)F 58108934 NWCSUGYTFSOOMX-JTQLQIEISA-N 320.311 2.462 0 40 DEAB CCc1cc2c(=O)n(CC(=O)N3CCCC[C@@H]3C)cnc2s1 44870427 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Cc1cc(C)c2c(c1)[C@@H](NC(=O)CSc1ncn[nH]1)CCO2 69373357 FAVITFANYPIRJU-LBPRGKRZSA-N 318.402 2.154 0 40 DEAB O=C(CC1CCCC1)NCCNC(=O)c1c(F)cccc1F 69419956 XBWZJYQAIWTNRN-UHFFFAOYSA-N 310.344 2.391 0 40 DEAB CNC(=O)[C@@H](NC(=O)c1nccc2ccccc12)c1ccccc1 65553908 PXPHQKLLAONACT-INIZCTEOSA-N 319.364 2.452 0 40 DEAB COc1ccc2c(c1)C[C@@H](C(=O)NCc1ncc(C)s1)CO2 172709473 ATWUKKUMYUZDJL-GFCCVEGCSA-N 318.398 2.328 0 40 DEAB COc1cccc(-c2noc(CCC(=O)NCC(C)C)n2)c1 5575390 JMASLZDYFCNCPN-UHFFFAOYSA-N 303.362 2.450 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(C)cc2F)C1=O 8727321 XSADPGGACKCGDR-UHFFFAOYSA-N 321.352 2.183 0 40 DEAB O=C(CSc1nnnn1C1CC1)NCc1cccc(Cl)c1 15050664 YLOWLOQIKXDJRO-UHFFFAOYSA-N 323.809 2.070 0 40 DEAB CN1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 67190540 YVJVPUHJZCVDDR-UHFFFAOYSA-N 316.323 2.292 0 40 DEAB CCNC(=O)N1CC[C@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 90411113 QNMIHQPZCYSEJP-DZGCQCFKSA-N 321.396 2.433 0 40 DEAB CC(C)N(C(=O)c1ncn(-c2ccccc2)n1)C1CCOCC1 92868930 XQQCDFVPUQZDSR-UHFFFAOYSA-N 314.389 2.297 0 40 DEAB COC(=O)CCS[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1 7658347 BRVSRGHQFGSSTI-JTQLQIEISA-N 324.402 2.268 0 40 DEAB COCCn1cc2c(n1)[C@@H](NC(=O)Nc1ccncc1)CCC2 96002873 AJXLJYCFIWFNLL-AWEZNQCLSA-N 315.377 2.124 0 40 DEAB COc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cn1 9364676 UOGGABYZMNWCKM-VIFPVBQESA-N 313.313 2.062 0 40 DEAB COC(=O)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1 9512228 AXEFBWOHDPCDEJ-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc(CC(C)C)n[nH]2)c1 71869836 ZISHDIPXDMIKLY-HNNXBMFYSA-N 315.421 2.418 0 40 DEAB C[C@]1(C(=O)NCc2nc(-c3ccco3)n[nH]2)CC1(Cl)Cl 71858697 GVAYTYKDYSCDJC-LLVKDONJSA-N 315.160 2.265 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)N[C@@H]1COc2ccccc21 71844042 BBEJEKHTWBUQAM-CQSZACIVSA-N 310.419 2.219 0 40 DEAB CCOc1ccccc1CCC(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 71829770 JBPUHVSCIUBOFA-ZFWWWQNUSA-N 318.417 2.130 0 40 DEAB CC(C)Cn1ccnc(Nc2ccc3c(c2)OCCO3)c1=O 94131132 BOKQWDIJRPROLZ-UHFFFAOYSA-N 301.346 2.414 0 40 DEAB c1ccc(-n2nnnc2N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 89857539 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Cc1nn(C)c(N)c1[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 95482740 PIYARBGMWPBCPP-NSHDSACASA-N 318.764 2.011 0 40 DEAB Cc1occc1CNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 95426132 CPIAZONRZIZBNC-ZFWWWQNUSA-N 310.419 2.442 0 40 DEAB CN(CCc1cnccn1)C(=O)CCCOCc1ccccc1 95457804 XQVOYMVEUBNSQF-UHFFFAOYSA-N 313.401 2.475 0 40 DEAB COCc1nc([C@@H]2COCCN2Cc2ccc(Cl)cc2)no1 95999996 IGNVMYNGSYVTCS-ZDUSSCGKSA-N 323.780 2.443 0 40 DEAB C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc2cccnc12 95976006 PSRVBEAWUOCUNJ-TZMCWYRMSA-N 320.414 2.159 0 40 DEAB COc1ccsc1C(=O)NCC1(N2CCOCC2)CCCC1 89484105 AQEHGZBCKORNRV-UHFFFAOYSA-N 324.446 2.132 0 40 DEAB CN(Cc1ccncc1)C(=O)NCCN(C)C(=O)OC(C)(C)C 75128179 XWLOOENZSUHFAK-UHFFFAOYSA-N 322.409 2.090 0 40 DEAB Cc1ccccc1[C@H]1C[C@H]1C(=O)NCC1(O)CCSCC1 75121260 RZNSDVFXMDXSTB-HUUCEWRRSA-N 305.443 2.473 0 40 DEAB CC(C)C1(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)CC1 75108582 BAISAHWQLFFKML-UHFFFAOYSA-N 313.401 2.408 0 40 DEAB CCOCC[C@H]1CN(Cc2c(C)noc2C)Cc2ccnn21 306142878 XNDRUXZOWGUNGX-HNNXBMFYSA-N 304.394 2.471 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1F 30321091 YKXCGALWHVGEIK-SNVBAGLBSA-N 310.350 2.269 0 40 DEAB CN1CCOc2ccc(NC(=O)c3ccsc3)cc2C1=O 38677912 JLNQDEASAUYYIO-UHFFFAOYSA-N 302.355 2.465 0 40 DEAB CC(C)OCc1ccccc1CNC(=O)c1ccn(C)c(=O)c1 31342421 PGYPRKYQXBSOAI-UHFFFAOYSA-N 314.385 2.240 0 40 DEAB O=C(NCCCc1c[nH]c2ccccc12)NC[C@@H]1CCOC1 78663545 ZMORKGJBBXWPRP-ZDUSSCGKSA-N 301.390 2.436 0 40 DEAB CC[C@@H](Sc1nnc(NC(=O)C2CCC2)s1)C(=O)OC 70635040 PKWJTBKUYSORMY-MRVPVSSYSA-N 315.420 2.320 0 40 DEAB CC[C@H](NC(=O)[C@@H](CC)N1CCCC1=O)c1ncc(C)s1 73858040 RLWKLYYBXFIXQU-NWDGAFQWSA-N 309.435 2.420 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1ccccn1 71185195 GGCHHTRSTYRRGR-JTQLQIEISA-N 309.391 2.330 0 40 DEAB O=C(CNC1CCCCC1)Nc1ccccc1N1CCOCC1 35311453 KAAXIVJHCQXTFE-UHFFFAOYSA-N 317.433 2.384 0 40 DEAB O=C([C@@H]1CCc2nncn2C1)N1CCC=C(c2ccccc2)C1 329168120 IXLBUEASWVQIET-MRXNPFEDSA-N 308.385 2.156 0 40 DEAB CNC(=O)c1cccc(NC(=O)Cc2cnc3ccccc3c2)n1 225603784 AJATZKXZJDVQKK-UHFFFAOYSA-N 320.352 2.171 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)c1cccnc1Cl 199552556 HBBVVAZOUYGFQR-UHFFFAOYSA-N 300.701 2.214 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 138259041 DHOGJTUTMFDBHP-BPLDGKMQSA-N 323.414 2.081 0 40 DEAB CCN1CCN(c2ccc(C(=O)OC)cc2-n2cccc2)CC1 226245694 MEKUJSDNUGQUMU-UHFFFAOYSA-N 313.401 2.406 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@](C)(C(=O)O)c1ccccc1 193091142 ZYADZLXKIJVVTI-INIZCTEOSA-N 302.330 2.064 0 40 DEAB O=C(NC1CCOCC1)c1cnn2c(-c3ccccc3)ccnc12 80401385 HVSQUXXJXLKDLT-UHFFFAOYSA-N 322.368 2.305 0 40 DEAB CCSc1cncc(N2CCC(CN3CCOCC3)CC2)n1 96453518 ZZOBIGQHWOGXJP-UHFFFAOYSA-N 322.478 2.137 0 40 DEAB O=C(c1ccco1)N1CCC2(CC1)C[C@@H](N1CCCC1)CO2 96047959 BYJWCXDBPDHOQA-CQSZACIVSA-N 304.390 2.139 0 40 DEAB O=C1[C@@H](Nc2ncccn2)CCN1c1ccc(F)c(Cl)c1 96494585 NHFIOQWMNWRERS-LBPRGKRZSA-N 306.728 2.487 0 40 DEAB c1ccc(N2CC[C@]3(COCCN(Cc4ccoc4)C3)C2)nc1 96062461 FHDWMYPBNLYOLL-GOSISDBHSA-N 313.401 2.404 0 40 DEAB CCn1cc(NC(=O)Nc2ccc(-c3ncn(C)n3)cc2)cn1 97096224 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195540113 IWHQWOVHKHTWKM-INIZCTEOSA-N 322.424 2.410 0 40 DEAB Cn1cc(C(=O)NCCc2c(F)cccc2Cl)ccc1=O 96473192 LBLIXXNVNMYMIT-UHFFFAOYSA-N 308.740 2.150 0 40 DEAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2ccccc2Cl)CC1 78440906 PZXKLZVGVHCAOT-AWEZNQCLSA-N 323.868 2.371 0 40 DEAB COc1cc(CN2CCN(CC(F)F)CC2)cc(OC)c1 96447095 IHEHRMJLTQSSGU-UHFFFAOYSA-N 300.349 2.087 0 40 DEAB COC[C@H]1CN(Cc2cccnc2)Cc2nn(CC3CC3)cc21 96060461 QOPQUSCOQBFQSM-MRXNPFEDSA-N 312.417 2.434 0 40 DEAB Cc1nc(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)sc1C 96442730 MZFLFQOUPHBOSI-CYBMUJFWSA-N 322.430 2.452 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)Cc3ccccc3F)CC2)CO1 96105832 ONWDHHHEGKBCSN-HNNXBMFYSA-N 321.392 2.412 0 40 DEAB CC(C)c1cc(C(=O)N2CCOCC2)nc(N2CCCCC2)n1 96101111 JQRYDBQBGQBHQR-UHFFFAOYSA-N 318.421 2.063 0 40 DEAB Cc1noc(C)c1CN1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042064 YVAKUFSMNUGEIO-YESZJQIVSA-N 306.406 2.450 0 40 DEAB CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)NCc1cccnc1)[C@H]2C(=O)O 245380346 WYAPBKMAHCVPIV-VDERGJSUSA-N 312.369 2.167 0 40 DEAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(CC3CCOCC3)C[C@@H]21 257285091 PFPXGNDBTIHTAL-IXDOHACOSA-N 316.449 2.050 0 40 DEAB O=C(CCOc1ccccc1)N1CCCC[C@H]2CNCC[C@H]21 257286680 PMNXCIPQDHLTJF-DOTOQJQBSA-N 302.418 2.446 0 40 DEAB COc1cccc(CC(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)c1 257250086 JKZDRKULJAZBCO-KYJSFNMBSA-N 303.402 2.390 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCCC[C@H]3CNCC[C@H]32)n1 257308520 TXAKLQQMXWCZGD-UONOGXRCSA-N 320.437 2.116 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)NCCOC)[C@@H]1c1ccccc1C 257329315 XJIDMORUCOSERC-WBVHZDCISA-N 318.417 2.057 0 40 DEAB Cc1cc(C)n(CCCC(=O)N2CCC[C@H]2c2cnccn2)n1 257318058 VMHJNJBBUAJEQA-INIZCTEOSA-N 313.405 2.434 0 40 DEAB CO[C@]1(CCC(=O)N(C)C)CCCN(Cc2ccncc2C)C1 585275272 BOTIJEQOMHKHHF-SFHVURJKSA-N 319.449 2.239 0 40 DEAB CC(C)CC(=O)N1Cc2ccnn2[C@@H](CCN2CCCC2)C1 585112622 UKPBVUWLYHCKTH-INIZCTEOSA-N 304.438 2.298 0 40 DEAB COc1ccc(C)cc1CN1CCN(Cc2nccn2C)CC1 65610548 BSFQTPBJMFCEGO-UHFFFAOYSA-N 314.433 2.055 0 40 DEAB Cn1c(CCNC(=O)Nc2ccccn2)nc2ccc(F)cc21 80767889 WTJCBNUEVGDBSW-UHFFFAOYSA-N 313.336 2.472 0 40 DEAB OCc1nnc(NCc2ccc(Br)cc2)s1 95449377 PMCIXYKZIPSOSX-UHFFFAOYSA-N 300.181 2.405 0 40 DEAB c1ccc2c(c1)nnn2CNc1ccc(N2CCOCC2)cc1 5324243 NPLYMUHRIYZVLO-UHFFFAOYSA-N 309.373 2.338 0 40 DEAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 13460786 YTWJVSLFWYPNTL-OAHLLOKOSA-N 324.336 2.437 0 40 DEAB Nc1nc(N)c2c(-c3ccccc3)c3c(nc2n1)CCCC3=O 13637497 UXDMWUGESLOAAI-UHFFFAOYSA-N 305.341 2.375 0 40 DEAB COc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cn1 14898424 XSSKGBMNZZZLSQ-UHFFFAOYSA-N 311.345 2.241 0 40 DEAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H]1C[C@@H]1C 14913395 AWXGFQCBRRRQRS-FZMZJTMJSA-N 308.809 2.461 0 40 DEAB CCC[C@@H](c1nnnn1CCC(C)C)N1CCN(CC)CC1 19501897 VNWQAOKMQVWCNO-HNNXBMFYSA-N 308.474 2.198 0 40 DEAB Cc1ccccc1[C@H]1CC(=O)c2cnc3nc(N)[nH]c(=O)c3c2C1 19819885 WGGNVJDUBPDVMK-SNVBAGLBSA-N 320.352 2.121 0 40 DEAB COc1ncccc1C(=O)NC[C@@H]1CCCN1c1ccccc1 206784795 OHGNIBOSRHPLLM-HNNXBMFYSA-N 311.385 2.489 0 40 DEAB COc1cncc(O[C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 225499038 HKALDQGJBFYGAC-KGLIPLIRSA-N 317.389 2.211 0 40 DEAB CC(=O)Nc1nc(C(=O)N2CCn3cccc3[C@@H]2C)cs1 30868690 PFLRCWRYHTXYSG-VIFPVBQESA-N 304.375 2.120 0 40 DEAB O=C(N[C@@H]1CCn2nccc2C1)c1ccc(C(F)(F)F)nc1 245039143 OHOJOYGIQLHLDM-SNVBAGLBSA-N 310.279 2.042 0 40 DEAB COc1cnccc1C(=O)N1CCC([C@@H]2CCCCN2C)CC1 1565544716 OPMREHGVYHWCDN-INIZCTEOSA-N 317.433 2.427 0 40 DEAB COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1cccc(Cl)c1 36532 IONQFLGJSVVTGT-UHFFFAOYSA-N 321.760 2.483 0 40 DEAB Cc1ccc(OC[C@H]2CCN(c3ccnc(C4CC4)n3)C2)nn1 2298048600 BDKNXGUXGITLLV-ZDUSSCGKSA-N 311.389 2.358 0 40 DEAB CCN1CCN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC1 20573411 CJHYSPZNULFNHB-UHFFFAOYSA-N 322.792 2.290 0 40 DEAB biogenic COC[C@H](C)N1C[C@H](C(=O)Nc2cccc(C)c2C)CC1=O 8234836 ZDOTVJKJELELGW-GXTWGEPZSA-N 304.390 2.125 0 40 DEAB Cc1c(CNCC[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C 30663856 UKPFLHVWOLNMDL-MRXNPFEDSA-N 315.417 2.143 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)cn1)CS2 40462305 YANGKEPFYQYRDF-RNCFNFMXSA-N 311.794 2.128 0 40 DEAB CN1CCO[C@H](CNCc2ccccc2OC(F)(F)F)C1 69581339 SIUPBPSBFBPAAW-GFCCVEGCSA-N 304.312 2.005 0 40 DEAB CCc1ccccc1NC(=O)C[C@@H](NCc1ccco1)C(=O)O 202809 PIMLOCNBTPIYIJ-OAHLLOKOSA-N 316.357 2.414 0 40 DEAB CCCc1nnc(SCC(=O)N2CCc3ccccc32)n1C 1355867 OWOULRUYLHNFGM-UHFFFAOYSA-N 316.430 2.449 0 40 DEAB CCOC(=O)[C@H]1S[C@]2(C(F)(F)F)C[C@@]1(O)C(C)(C)CO2 4229242 GPTVOGPGALFQQS-GGVZMXCHSA-N 314.325 2.101 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1CCc2ccc(F)cc21 69653705 YARSYICBTUIIAA-CQSZACIVSA-N 323.393 2.142 0 40 DEAB Cc1nnc([C@@]23CCO[C@@H]2CCN(Cc2scnc2C)C3)o1 107710505 QLBPAXZSIJBEBT-UKRRQHHQSA-N 320.418 2.076 0 40 DEAB O=C(CCC(=O)N1CC[C@@](O)(C(F)(F)F)C1)c1cccs1 71921211 NEABYPFJGCCWHB-LBPRGKRZSA-N 321.320 2.237 0 40 DEAB COc1c2c(c(OC)c3occc13)O[C@](O)(C(F)F)CC2=O 485616 SGBOMOZXKGIRBM-AWEZNQCLSA-N 314.240 2.369 0 40 DEAB biogenic O=C1NCCN(C(=O)c2ccc3cc[nH]c3c2)[C@@H]1c1ccccc1 89827815 ZKTJTIWYKSYYCP-QGZVFWFLSA-N 319.364 2.481 0 40 DEAB O=C(c1ccccc1)N1C[C@@H]2CCCO[C@@H]2[C@H](N2CCCC2)C1 107713021 JQTBAIAHJVAYNP-KSZLIROESA-N 314.429 2.402 0 40 DEAB Cc1nn(C)c2c(N3C[C@@H](C)O[C@H](C)C3)nc(C3CC3)nc12 57356018 XCALEEANAWMKQB-NXEZZACHSA-N 301.394 2.163 0 40 DEAB CO[C@@H]1CCC[C@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1 75582921 YTYKCJQPGQRNCN-TUAOUCFPSA-N 301.383 2.400 0 40 DEAB Cc1ccc(F)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 2787162 OBLWWZIKKBMMIG-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)CCc3cn(C)nc3C)C2)n[nH]1 76059861 AICPFGHLCBPHNN-OAHLLOKOSA-N 315.421 2.099 0 40 DEAB COc1cccc(CN(C)C(=O)Cc2c(C)nn(C)c2C)c1 22967704 MYYYMIKGQMXXIK-UHFFFAOYSA-N 301.390 2.247 0 40 DEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)OC1CCCCC1 104281630 VUFQQQFJZFBPMH-OKILXGFUSA-N 307.390 2.428 0 40 DEAB CNC(=O)c1cc2c(n(-c3ccc(C)cc3)c1=O)CCCC2=O 2809816 ZXMMFJNFAWYPKD-UHFFFAOYSA-N 310.353 2.025 0 40 DEAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc3ccccc3n1)CCO2 107720096 FSOLOEXGDKJNBR-ZACQAIPSSA-N 312.369 2.253 0 40 DEAB NC(=O)CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 42926447 GFWLKWCTRPZKLD-UHFFFAOYSA-N 323.352 2.490 0 40 DEAB COc1ccccc1-c1cc(C(=O)Nc2c[nH]ccc2=O)no1 47672379 OCKCGORXQRVMPH-UHFFFAOYSA-N 311.297 2.291 0 40 DEAB Nc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(F)cc1 1430272 SDFPTNIPRLLCLE-UHFFFAOYSA-N 315.283 2.380 0 40 DEAB CCO[C@@H](CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 57186590 ODVMMIFQTPQEGM-HNNXBMFYSA-N 310.438 2.053 0 40 DEAB CC(C)Oc1ncccc1NC(=O)NC[C@H]1CCCN(C)C1 108504783 MCPZVHWITQXAMK-CYBMUJFWSA-N 306.410 2.332 0 40 DEAB COC(=O)[C@@H](CN(C)Cc1ccccc1)[C@@H](O)c1ccncc1 12540329 KDXCSSVSRPXSBC-IRXDYDNUSA-N 314.385 2.036 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)N1CCC(c2ccnn2C)CC1 58292615 JNBIKTARSZSGMB-ZDUSSCGKSA-N 304.438 2.047 0 40 DEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)ccc1OC 25263119 IOSKNWPBCKNTHJ-SLEUVZQESA-N 321.421 2.264 0 40 DEAB Cc1ccc(CNC(=O)NCC(=O)NC2CCCCC2)s1 58356127 ABAMWJCZCDGBRQ-UHFFFAOYSA-N 309.435 2.305 0 40 DEAB CCOc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7639372 JVAHAVJHRQXWQT-BBRMVZONSA-N 320.414 2.478 0 40 DEAB COc1ccccc1CCNC(=O)c1c[nH]c(=O)c(Cl)c1 48275931 ZFAGHMRDDYUEMN-UHFFFAOYSA-N 306.749 2.009 0 40 DEAB Cc1n[nH]c2ncc(CNc3ccc(N4CCOCC4)cn3)cc12 48353490 JPXDEJQUZNVKSM-UHFFFAOYSA-N 324.388 2.110 0 40 DEAB O=C(NCCCn1ccnc1)[C@H]1Cc2cc(Cl)ccc2O1 48355884 IXSCECJZUUMCKO-CQSZACIVSA-N 305.765 2.047 0 40 DEAB CCCN(CC(=O)O)C(=O)c1ccc(Br)cc1 38019432 LNJIYAZRVWZIPU-UHFFFAOYSA-N 300.152 2.386 0 40 DEAB O=C(NCCCCN1CCC[C@H]1CO)Nc1ccc(F)cc1 69708801 XEJHQNJTCMKGPI-HNNXBMFYSA-N 309.385 2.184 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306131117 JXDWNDMOTDNFPC-ILXRZTDVSA-N 316.401 2.124 0 40 DEAB Cn1nnnc1SCc1nc(-c2ccccc2Cl)no1 7911372 BUVGYDZRXLFLFP-UHFFFAOYSA-N 308.754 2.206 0 40 DEAB CCOc1ccc2c(c1)c(=O)c(C(=O)N[C@H](C)CC)cn2C 22237084 ABYJGRXPVPFGTG-LLVKDONJSA-N 302.374 2.466 0 40 DEAB CCOc1ccc(C(=O)NCCc2c[nH]cn2)cc1OCC 13592119 TWMVTFFARRROHP-UHFFFAOYSA-N 303.362 2.180 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)cn1 69878088 UMKUBJYNTAJODB-AWEZNQCLSA-N 311.345 2.381 0 40 DEAB COC[C@H](C)NC(=O)Nc1cccc(OCCn2cccn2)c1 59351239 SSOYNVIEVGYJFN-ZDUSSCGKSA-N 318.377 2.119 0 40 DEAB O=C(c1cc(Br)c[nH]1)N1CCC[C@H]1Cn1cccn1 69871398 MUWKHUIGJZSFMV-NSHDSACASA-N 323.194 2.279 0 40 DEAB CCc1nn(C)cc1C(=O)Nc1ccc2c(c1)CCN2C(C)=O 92216258 IKOUOTNUVMZPPU-UHFFFAOYSA-N 312.373 2.144 0 40 DEAB C[C@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccco1 8360330 YGYBILFJYXBCHC-LBPRGKRZSA-N 314.341 2.273 0 40 DEAB Cc1ccc([C@H](O)CN2CCN(C(=O)C(C)C)CC2)cc1C 65473179 UANMJBBEDQCUPG-QGZVFWFLSA-N 304.434 2.137 0 40 DEAB O=C(NC(C1CCCC1)C1CCCC1)N1CCO[C@H](CO)C1 89818033 BHJNEQDHJSBLPC-HNNXBMFYSA-N 310.438 2.138 0 40 DEAB CC1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)F)C1 6849531 IWGZJMSJONPIAO-NSHDSACASA-N 324.736 2.064 0 40 DEAB Cc1ccn(-c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)C3(C)C)cc2)n1 71281705 GEPWRFGNWFRISU-ZIAGYGMSSA-N 313.357 2.476 0 40 DEAB CC(C)CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)O)cs1 96012754 HCCXHJYAEJKZAB-VIFPVBQESA-N 305.421 2.120 0 40 DEAB Cc1cccc(OCCCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c1 71829834 VUOADURXUMCUAT-LSDHHAIUSA-N 318.417 2.266 0 40 DEAB Cn1c(CN[C@H](c2cccs2)C(C)(C)C)cc(=O)n(C)c1=O 71817086 JNGAKYJOUWJMQV-CQSZACIVSA-N 321.446 2.023 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1ccc(C)s1)C2 71864858 ULRFMCLOZPGWTM-RYUDHWBXSA-N 316.430 2.356 0 40 DEAB CC(C)c1csc([C@@H]2CCCN(C(=O)Cn3cncn3)C2)n1 72297239 UBIBLXOKBYOHDQ-GFCCVEGCSA-N 319.434 2.264 0 40 DEAB CC1([C@@H]2CCCN(C(=O)CCc3ccncc3)C2)OCCO1 97108130 QJZAVBIDMHVQFY-OAHLLOKOSA-N 304.390 2.016 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1(CC)CC 79018579 KPXKHOVAQXVLPL-CHWSQXEVSA-N 321.421 2.100 0 40 DEAB CCC(CC)(CCO)CNC(=O)NCCN1CCCC[C@@H]1C 72932576 MOYTWBHNBHWUIS-HNNXBMFYSA-N 313.486 2.349 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)C[S@@](=O)C1CCCC1 95417732 AVLUKISEZRCBNA-VWLHBSKXSA-N 315.479 2.389 0 40 DEAB Cc1nnc([S@@](=O)Cc2nccn2C)n1[C@@H]1CCC[C@H](C)C1 95442870 WKYLVZFAGPVXAN-WBLQJCTDSA-N 321.450 2.379 0 40 DEAB CC(C)[C@H](CNC(=O)NC1(CCO)CCC1)c1cccnc1 95417279 LZEXRQOQHPSWJS-HNNXBMFYSA-N 305.422 2.426 0 40 DEAB COc1ccc(Br)cc1S[C@@H]1CCNC1=O 95971778 INISVIQRUKSPBU-SECBINFHSA-N 302.193 2.438 0 40 DEAB Cn1c(C(=O)Nc2c(Cl)ccc3nsnc23)cccc1=O 95991219 AIEXJNQROUXALV-UHFFFAOYSA-N 320.761 2.296 0 40 DEAB Cn1ccc2c(C(=O)N3CCC[C@H](c4nc[nH]n4)C3)cccc21 75094514 SUMOEIHTVOSMMG-LBPRGKRZSA-N 309.373 2.316 0 40 DEAB C=CC(=O)NCCC(=O)Nc1ccccc1-n1nc(C)cc1C 89595860 NRTBGMAXFUHEMU-UHFFFAOYSA-N 312.373 2.120 0 40 DEAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@@H]2CCC[C@@H]21 75125092 RUYJTUQPUKCQET-DZGCQCFKSA-N 314.341 2.028 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2CCOc3c(F)cccc32)c(=O)[nH]1 75122507 QJZXPWPYCOXCNR-CYBMUJFWSA-N 302.305 2.076 0 40 DEAB CC(C)c1nnc2n1CCN(c1nccc(C(F)(F)F)n1)C2 75128580 BPQOBMSZRDXGSO-UHFFFAOYSA-N 312.299 2.231 0 40 DEAB COCCOc1ccc(CNC(=O)N2CCSC[C@H]2C)cc1 172355588 LSJNGQXXHHWVJN-CYBMUJFWSA-N 324.446 2.359 0 40 DEAB CC[C@H](C(=O)NCCNC(=O)c1ccco1)c1ccccc1 31051849 UGSNRIXPIWVXPS-AWEZNQCLSA-N 300.358 2.319 0 40 DEAB Cc1noc([C@@H](C)N2CCC[C@@H](NC(=O)C3CCCC3)C2)n1 1006555838 PQEPARQQGDBJIP-BXUZGUMPSA-N 306.410 2.210 0 40 DEAB Cc1nnsc1CSc1nc2ccsc2c(=O)n1C 515754448 SWQHWPXJQSTIOB-UHFFFAOYSA-N 310.429 2.447 0 40 DEAB Cc1cncc(/C=C/C(=O)N2CCOC[C@@H]2c2cccn2C)c1 127052114 WULLZUJKCDTZJC-FUTAKVPZSA-N 311.385 2.342 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C)OCC1(C)C 36075988 LXGIXSAPNRTOLV-NSHDSACASA-N 301.383 2.322 0 40 DEAB CCc1ncsc1NC(=O)c1cc(N2CCOCC2)ccn1 132611420 NKLIZMXVXLIQDK-UHFFFAOYSA-N 318.402 2.189 0 40 DEAB CCCn1nccc1C(=O)N[C@H](C(=O)O)c1ccc(F)c(C)c1 575138574 FXWWDXFTVLKWMO-AWEZNQCLSA-N 319.336 2.296 0 40 DEAB CCOCCOCc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 47605042 XORBCWIKJRQEFJ-CQSZACIVSA-N 322.405 2.492 0 40 DEAB CC(=O)Nc1nc2c(s1)CN(C(=O)/C=C/c1ccco1)CC2 75157885 ONSNUYHKUAQCJN-SNAWJCMRSA-N 317.370 2.293 0 40 DEAB CCOC(=O)C(=O)c1cc(Cl)cnc1NC(=O)C(C)(C)C 199817251 AOWHCLFIRSYFOZ-UHFFFAOYSA-N 312.753 2.465 0 40 DEAB c1ccc(CN2CCO[C@H](c3nc([C@@H]4CCOC4)no3)C2)cc1 84538978 FDSSNYNFCLUBNC-CABCVRRESA-N 315.373 2.147 0 40 DEAB CCCCN1NC2(CCN(Cc3ccccc3)CC2)NC1=S 225350252 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2.249 0 40 DEAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 219863 ITUYDFBLNGUZMN-AWEZNQCLSA-N 316.401 2.103 0 40 DEAB CC(C)NC[C@@H](O)COc1c(F)cc(Br)cc1F 230604 HAVZRONFLIJBFX-SECBINFHSA-N 324.165 2.465 0 40 DEAB CCCOc1ccc(S(=O)(=O)NC[C@H](C)O)c2ccccc12 36638800 NQHCWSVVIJSNCM-LBPRGKRZSA-N 323.414 2.288 0 40 DEAB Cc1cc(-n2cccc2)ccc1C(=O)N1CCn2c(C)nnc2C1 69652127 LZUNHLGGOWPKEB-UHFFFAOYSA-N 321.384 2.342 0 40 DEAB Cn1ccnc1[C@H](NC(=O)c1cccnc1)c1cccc(F)c1 29081209 MKPJIONMGWQGFN-OAHLLOKOSA-N 310.332 2.474 0 40 DEAB CN1CCN(C(=O)c2csc(CCc3ccccc3)n2)CC1 69666081 LVUUWOPBDNXFPP-UHFFFAOYSA-N 315.442 2.316 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)NCCc1ccc(F)cc1 6731882 OECIMCWMCSINEQ-OSRDXIQISA-N 305.349 2.231 0 40 DEAB CCCN(CCC(N)=O)Cc1nc(O)c2ccc(Cl)cc2n1 32679748 HTHQCJIWBWJOCZ-UHFFFAOYSA-N 322.796 2.076 0 40 DEAB O=C(C[C@@H]1[C@@H]2CN(Cc3ccoc3)C[C@@H]21)NCc1ccco1 107745941 BGIMOUFCSWUNNN-MUJYYYPQSA-N 300.358 2.257 0 40 DEAB CCCC(=O)NC(=S)c1c(C)n(C)n(-c2ccccc2)c1=O 2659589 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COc1cccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)c1 1398561 XAQQIMIRZITXKR-UHFFFAOYSA-N 304.371 2.115 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)NCCCN1CCC(C)CC1 61553734 FBOLIABRWZAMEL-VOTSOKGWSA-N 318.465 2.288 0 40 DEAB CC(C)c1noc(CCC(=O)Nc2ccc(F)c(C(N)=O)c2)n1 25145465 XMJWBZBLRHMLSZ-UHFFFAOYSA-N 320.324 2.002 0 40 DEAB O=C(CN1CCC[C@@H]2CCC[C@@H]21)NC1CCC2(CC1)OCCO2 107507252 WECKBWAJOZSVHN-HOCLYGCPSA-N 322.449 2.053 0 40 DEAB Cc1nn(C)cc1-c1nn2c(C(F)(F)Cl)nnc2s1 61719011 UFQSCOBGJSAUPB-UHFFFAOYSA-N 304.713 2.183 0 40 DEAB Cc1nc2cc(N[C@@H](C)C(=O)NC(=O)NCC(C)C)ccc2o1 10170228 YAXFXENIAQANBN-JTQLQIEISA-N 318.377 2.418 0 40 DEAB CCc1nnsc1C(=O)NCCCCN1CCC[C@@H](C)C1 44941702 YYDJTFGNJXAYBY-GFCCVEGCSA-N 310.467 2.342 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)NCCC1=CCCCC1 44966221 QGSOGXINQCYIOI-UHFFFAOYSA-N 303.410 2.256 0 40 DEAB Cn1ccnc1[C@H](NC(=O)N1CCSCC1)c1ccccc1 44967207 ZYHLOFUHVCSZRF-CQSZACIVSA-N 316.430 2.268 0 40 DEAB O=C(Nc1ccn(CCc2ccncc2)n1)c1ccccc1O 58323006 NLLWGOBSTYLTGK-UHFFFAOYSA-N 308.341 2.479 0 40 DEAB CN(CCOc1ccccc1F)c1cc(=O)n2ccccc2n1 10997146 CZWALDRSEINSEE-UHFFFAOYSA-N 313.332 2.349 0 40 DEAB NC(=O)c1ccc(C(F)(F)F)n(Cc2cccc(F)c2)c1=O 10911202 ZLBGHWUPPYPRJN-UHFFFAOYSA-N 314.238 2.153 0 40 DEAB CN(C)c1ccc(CCNC(=O)N2CCOC(C)(C)C2)cc1 69369178 NZRASVVGSYZGIM-UHFFFAOYSA-N 305.422 2.116 0 40 DEAB Cn1ccc(NC(=O)[C@@H]2CC(c3ccc(Cl)s3)=NO2)n1 48681735 GYPIARNKCQMSOU-QMMMGPOBSA-N 310.766 2.267 0 40 DEAB CCc1nc2n(n1)C[C@@H](NCC1=Cc3ccccc3OC1)CC2 69808067 UUPFCBFWTZWMER-HNNXBMFYSA-N 310.401 2.221 0 40 DEAB CN(C)c1cccc(C(=O)NCc2nc(-c3ccco3)n[nH]2)c1 69590128 SFPRPTMSUZAXLX-UHFFFAOYSA-N 311.345 2.061 0 40 DEAB CC(=O)NCCNC(=O)COc1ccc(Cl)c2ccccc12 13985234 HUVNQVYAEXOHLC-UHFFFAOYSA-N 320.776 2.124 0 40 DEAB COCCOCCCC(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 65588576 OESODRITYYULJI-KRWDZBQOSA-N 322.449 2.157 0 40 DEAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cc[n+]([O-])cc1 65517873 IXFBTFBDFWFDAN-QGZVFWFLSA-N 305.337 2.234 0 40 DEAB CC(C)OCCCNC(=O)CCC(=O)NCc1ccc(F)cc1 6762692 VDMUQABLYGTQAI-UHFFFAOYSA-N 324.396 2.153 0 40 DEAB CC(C)Sc1ccccc1C(=O)NCCN1CCOCC1 20612816 SZNRICXJPNWJNP-UHFFFAOYSA-N 308.447 2.249 0 40 DEAB O=S(=O)(NCCOc1ccccc1F)c1ccc(F)cc1 7215837 ZIYGGMDUPLZPTB-UHFFFAOYSA-N 313.325 2.322 0 40 DEAB COCc1cc(C(=O)N[C@@]2(C)CCc3ccccc3C2)no1 80491179 NIMIEDKCSGFKTG-KRWDZBQOSA-N 300.358 2.498 0 40 DEAB Cc1csc(=O)n1CC(=O)OCc1cc(-c2ccco2)on1 19389141 ZWGFCKMMOSJAHA-UHFFFAOYSA-N 320.326 2.210 0 40 DEAB COc1ccc(COC[C@@H](O)CN2CCC[C@H](C)C2)cc1OC 7982382 DCEWLIMBAGLBFQ-HOCLYGCPSA-N 323.433 2.313 0 40 DEAB C[C@H]1C[C@@H](NC(=O)Nc2cccnc2)C(=O)N1c1ccccc1 96434091 RBMJZLGURNVCHW-SWLSCSKDSA-N 310.357 2.397 0 40 DEAB NC(=O)c1csc(C(=O)Oc2cccc(-n3cccn3)c2)c1 76018692 LVSDXIDQVQDUCE-UHFFFAOYSA-N 313.338 2.252 0 40 DEAB O=C(Nc1cccnc1)C(=O)N1CC[C@H](c2cccc(F)c2)C1 71859261 LYSKVUBKTYZLQV-ZDUSSCGKSA-N 313.332 2.175 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 83888602 SCOYIRCLWZQCJC-KOLCDFICSA-N 318.295 2.199 0 40 DEAB O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1n[nH]c(O)n1 97032123 BJJHGIUAQIUPQT-UHFFFAOYSA-N 323.523 2.428 0 40 DEAB Cc1csc([C@@H](C)CNC(=O)Nc2cncnc2N(C)C)n1 97113547 HFMGKDZYLWJARA-VIFPVBQESA-N 320.422 2.233 0 40 DEAB COc1ncccc1NC(=O)N[C@H]1CCC[C@H]1n1ccnc1 72305813 NQMCDDPIHPMDGD-WCQYABFASA-N 301.350 2.202 0 40 DEAB CCCC(=O)N1CCC[C@H](C(=O)N[C@H](CC)C2CCOCC2)C1 72307188 MUAPJPYMCILYOW-JKSUJKDBSA-N 324.465 2.347 0 40 DEAB CC(C)(C)c1nc(CC(=O)N[C@H]2CCc3nccn3C2)cs1 72313389 QYBHFZIZEZQRQI-NSHDSACASA-N 318.446 2.311 0 40 DEAB CCOCCN1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F 97238112 BDMVEXQUYKMGOW-CYBMUJFWSA-N 316.323 2.215 0 40 DEAB CNC(=O)c1ccc(NC(=O)c2ccncc2F)c(Cl)c1 95447362 VJQNSSKWBAFVRM-UHFFFAOYSA-N 307.712 2.486 0 40 DEAB CNC(=O)[C@H]1CCCN1C(=O)NC1CCC(C(F)(F)F)CC1 95436841 OEJLREUNXFBFNS-VQXHTEKXSA-N 321.343 2.028 0 40 DEAB C[C@H](c1ccco1)N(C(=O)NCc1nnnn1C1CC1)C1CC1 95409974 UZDJMCYLOHKRTF-SNVBAGLBSA-N 316.365 2.036 0 40 DEAB Cc1occc1C(=O)N[C@H]1CCN(c2ccccc2F)C1=O 78997873 ZOVMXBABEXFDLE-ZDUSSCGKSA-N 302.305 2.262 0 40 DEAB CCOC(=O)[C@H](C)N(C)C(=O)Cc1c(C)nn(CC(C)C)c1C 79095014 YXTGSEYMRCUKKX-AWEZNQCLSA-N 323.437 2.108 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)oc1C 95980330 DKULINVNUZUOBH-CYBMUJFWSA-N 303.362 2.450 0 40 DEAB O=C(CNC(=O)c1cccc(O)c1)N[C@@H](c1ccccc1)C1CC1 95945643 XRPPVHXMJFWMOG-SFHVURJKSA-N 324.380 2.390 0 40 DEAB CCc1cnccc1C(=O)N1CCN(c2ncccc2F)CC1 95988420 RHLPYPMTFFRBDK-UHFFFAOYSA-N 314.364 2.141 0 40 DEAB CCS(=O)(=O)c1cccc(F)c1NC(=O)c1cscn1 95991224 PRJPLXBOSLHEHG-UHFFFAOYSA-N 314.363 2.328 0 40 DEAB CN(CCCO)C1CCN(C(=O)Nc2ccccc2F)CC1 89346037 KCDHAEXDXIYATL-UHFFFAOYSA-N 309.385 2.136 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2cccnc2)cc1 75092005 NROLDKOEQKITCI-MLGOLLRUSA-N 309.369 2.204 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)NCc2ccn(C)c2)c1 75092533 ZVASMKFXHROIMY-ZDUSSCGKSA-N 301.390 2.464 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nnc(C2CC2)n1C 75132483 RNRKXXQMJFFHOP-CQSZACIVSA-N 314.437 2.380 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)NCCC3=CCOCC3)CCO2)o1 89652645 FZOLQOBQUCIHOA-MRXNPFEDSA-N 320.389 2.408 0 40 DEAB O=C(NCCn1cccc1)c1ccc(Nc2ncccn2)cc1 524733908 CBIJPWYXPZWXFT-UHFFFAOYSA-N 307.357 2.452 0 40 DEAB NC1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)CC1 72221288 HQDQBJFTNWCUMD-UHFFFAOYSA-N 304.781 2.293 0 40 DEAB CC(C)Cc1ccccc1CNC(=O)NCc1cnn(C)n1 527938989 LSDLJAAEKRCPKP-UHFFFAOYSA-N 301.394 2.013 0 40 DEAB O=C(c1cncnc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72368329 NGAJXOADGWWOCY-GFCCVEGCSA-N 307.357 2.373 0 40 DEAB O=S(=O)(NCC1(c2ccc(F)cc2)CC1)c1cccnc1 38591408 ASHAMWKWCRCSIR-UHFFFAOYSA-N 306.362 2.231 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@](O)(CN)c1ccccc1 72207998 DBFWNSCDJLQVOI-WMLDXEAASA-N 306.406 2.232 0 40 DEAB COc1ccccc1N1CCC[C@H](Nc2nnc(C)s2)C1=O 77225744 ZJTSSXKKQRSXOC-NSHDSACASA-N 318.402 2.463 0 40 DEAB CCc1cc(C(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)no1 72369770 RRVFNYIEHATBFV-GFCCVEGCSA-N 300.362 2.274 0 40 DEAB Cc1cc(C)n(-c2ccc(NC[C@H](O)C3CCCC3)nn2)n1 77981064 SPJJRUYRDCHAMP-AWEZNQCLSA-N 301.394 2.242 0 40 DEAB CSc1cc2c(cc1NC(=O)N1CCO[C@H](C)C1)OCCO2 78394950 FOEANJWXLSTLSS-SNVBAGLBSA-N 324.402 2.432 0 40 DEAB Cc1[nH]ccc(=O)c1OCC(=O)N[C@H](C)CCc1ccccc1 49543289 KFGRUQBUBXOUPS-CYBMUJFWSA-N 314.385 2.200 0 40 DEAB biogenic CCNC(=O)COc1nn(-c2ccccc2)cc1Br 227151379 IOOZBMMYWKHNSZ-UHFFFAOYSA-N 324.178 2.150 0 40 DEAB CS(=O)(=O)Nc1ccc(C(=O)NCC2=CCCCC2)cc1 223928095 GNVFOXLWOCWMIJ-UHFFFAOYSA-N 308.403 2.288 0 40 DEAB O=C(CCc1nc(-c2cccc(F)c2)no1)NC[C@H]1CCCO1 225798706 WHLBPXOUCRJWFT-CYBMUJFWSA-N 319.336 2.104 0 40 DEAB Cc1nc(CC(=O)N[C@@H]2CCCN(c3ccccn3)C2)cs1 131083008 HBPONPHAYFCEPG-CYBMUJFWSA-N 316.430 2.174 0 40 DEAB COC(=O)[C@H](F)CN1CCC(OCc2ccc(F)cc2)CC1 225467902 FBCSMSFLTWHTTM-OAHLLOKOSA-N 313.344 2.318 0 40 DEAB CCOC[C@@H](O)CSc1nnc2ccc(C(F)(F)F)cn12 193796991 YPORPTWOCKCOHQ-SECBINFHSA-N 321.324 2.238 0 40 DEAB CCC1(CNC(=O)N2CCS(=O)(=O)C(C)(C)C2)CCCC1 96473613 HHPXEIOTORUTDP-UHFFFAOYSA-N 316.467 2.175 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)N1CCC[C@H]2CCC[C@H]21 96440734 HIFMYTVFVODMIL-ARFHVFGLSA-N 310.438 2.404 0 40 DEAB CC(C)NC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccs2)C1 96227713 VRVBQURLYJCFQF-CZUORRHYSA-N 321.446 2.194 0 40 DEAB Cc1occc1CNC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 96420533 MVHROAIQBYFGKN-OAHLLOKOSA-N 321.421 2.282 0 40 DEAB Cc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)nc1 97379065 BNASCIMWUFLABN-MRXNPFEDSA-N 304.415 2.266 0 40 DEAB CCN1CCN(C(=O)CCn2ncc3ccc(Cl)cc32)CC1 96181985 DNCNAHKMFOURPV-UHFFFAOYSA-N 320.824 2.244 0 40 DEAB CN(C)C(=O)N1CC[C@@H]2OCCC[C@]2(COc2ccccn2)C1 96057088 AGBYUCSWVKSWMZ-WMLDXEAASA-N 319.405 2.013 0 40 DEAB CC1CCC(O)(CN(C)[C@H](C(N)=O)c2cccc(F)c2)CC1 96483328 XJPSJBBIRBJPOY-VXKCQOAXSA-N 308.397 2.225 0 40 DEAB O=C([C@H]1CCCCN1C(=O)CC[C@@H]1CCCOC1)N1CCCC1 96450292 IUZJQBREILOBRL-JKSUJKDBSA-N 322.449 2.197 0 40 DEAB c1cnn(CCCO[C@H]2CN(C3CCC3)[C@@H]3CCCO[C@H]23)c1 96065449 UFIWLFKFPFLLFN-IKGGRYGDSA-N 305.422 2.074 0 40 DEAB C[C@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)n1cccc1 96494451 XDPAEEYNKZMQST-CYBMUJFWSA-N 320.437 2.138 0 40 DEAB COCCS(=O)(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 96466797 SVVXXRZHHDPYEB-UHFFFAOYSA-N 311.407 2.249 0 40 DEAB CC(C)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 248148671 FVRRYZJZLFNMDK-IRXDYDNUSA-N 322.474 2.072 0 40 DEAB Cc1nc(C(=O)N2CC3(C[C@H](OCC4CC4)CCO3)C2)cs1 247998929 BIWDABHXFJBNLR-CYBMUJFWSA-N 322.430 2.252 0 40 DEAB c1cnc(N2CC3(C[C@@H](OCC4CCCC4)CCO3)C2)nc1 247971242 UTKSHWQEPZKPKU-HNNXBMFYSA-N 303.406 2.421 0 40 DEAB O=C(Cc1ccc(F)cc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257220739 DLYLKQBDLJOKQY-IAGOWNOFSA-N 315.344 2.019 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3ccccc3[nH]2)n1 257341659 ZLIFGFMWAYIUHR-OAHLLOKOSA-N 310.357 2.413 0 40 DEAB CC(C)NC(=O)[C@@H]1CN(Cc2cccs2)Cc2ncn(C)c21 585110922 ZKNLXVRONLHDNX-CYBMUJFWSA-N 318.446 2.106 0 40 DEAB O=C(CCNc1ncccn1)NCCOc1cccc(Cl)c1 53414647 UWHUKWSGQZALFW-UHFFFAOYSA-N 320.780 2.127 0 40 DEAB O[C@@H](CN1CCn2cccc2[C@H]1c1ccccc1)Cn1cccn1 69744567 BEXNBAYDUZJYNH-PKOBYXMFSA-N 322.412 2.151 0 40 DEAB CCOCCOC(=O)c1c(Br)ccc(OC)c1N 71922220 NIQCCJVRNFATSK-UHFFFAOYSA-N 318.167 2.233 0 40 DEAB CCC[C@H](C)NC(=O)[C@H]1CCCN(CC(OCC)OCC)C1 95941563 KOXMGODERWQAFH-GJZGRUSLSA-N 314.470 2.402 0 40 DEAB CCc1ncc(CN[C@H]2CC(=O)N(C3CCCCC3)C2)cn1 516258104 JYHMGVIMPJSOSR-AWEZNQCLSA-N 302.422 2.062 0 40 DEAB Cc1cc2c(cc3c(=O)n(CC(=O)OC(C)C)nc(C)n32)s1 12115354 LQVCDDUHHAXZIX-UHFFFAOYSA-N 319.386 2.279 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc1 12526935 WJYWTLGLEVPPOU-HNNXBMFYSA-N 309.369 2.377 0 40 DEAB Cc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 14258519 YKHHYIXLXSZHGH-UHFFFAOYSA-N 311.341 2.491 0 40 DEAB CCCCOc1ccc(NC(=O)CN2CCN(CC)CC2)cc1 19502294 GWIRRNFSUJZBFW-UHFFFAOYSA-N 319.449 2.442 0 40 DEAB CN1CCN(C(=O)CSc2cccc3cccnc23)CC1 19691146 PRIDMMBTGASWIB-UHFFFAOYSA-N 301.415 2.101 0 40 DEAB Cc1cnccc1CCNC(=O)N1CCC(c2ccn[nH]2)CC1 164029537 PADJAHZLGJNXEY-UHFFFAOYSA-N 313.405 2.245 0 40 DEAB c1cnc(N2C[C@@H]3CN(c4nc5ccccc5o4)C[C@H]3C2)nc1 1888882136 GXMBKDBBXXWSHQ-CHWSQXEVSA-N 307.357 2.190 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccc(C(F)(F)F)cc1 30116517 GRKPLPJSNXLUPC-BDAKNGLRSA-N 302.296 2.407 0 40 DEAB COc1ccc([C@H]2Cn3ccnc3CN2Cc2cn(C)cn2)cc1 2037846677 VLFVXYGWPHHUIG-QGZVFWFLSA-N 323.400 2.382 0 40 DEAB Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCC[C@H]3C)c(O)nc12 101063712 ZFHFNTZNOGLWQN-PWSUYJOCSA-N 315.373 2.017 0 40 DEAB O=C(Cc1ccsc1)Nc1nc2c(s1)C(=O)NCCC2 211131113 PFFWCBJAMHENMX-UHFFFAOYSA-N 307.400 2.062 0 40 DEAB CC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1 123763 IHPGZDZOETZKGR-UHFFFAOYSA-N 322.320 2.124 0 40 DEAB CSc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1 364149 ABRCORGCSPHQHU-UHFFFAOYSA-N 305.381 2.200 0 40 DEAB Cc1nnc(NC(=O)C2CCN(CC(F)(F)F)CC2)s1 40536390 UJAOMOJEAFTRBN-UHFFFAOYSA-N 308.329 2.059 0 40 DEAB CS[C@H](C)C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 40535770 OWNZLDXVEJQWRL-FRRDWIJNSA-N 323.462 2.063 0 40 DEAB CC(C)c1nc(CN2CCN(c3ncccn3)CC2)cs1 51205656 PZUGZMDRVQMNPG-UHFFFAOYSA-N 303.435 2.379 0 40 DEAB Cc1ccccc1C1(CNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1 69417874 JYIKBBCWFJHWHG-GJZGRUSLSA-N 314.429 2.305 0 40 DEAB CCn1nc(C)c2ncnc(NCCCn3nc(C)cc3C)c21 57280192 AKLSSMFMQSDLTL-UHFFFAOYSA-N 313.409 2.470 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102390940 LFHCIPKUJPGQKQ-GASCZTMLSA-N 312.369 2.193 0 40 DEAB Cc1ccc(C)c2sc(NC(=O)[C@H]3CCS(=O)(=O)C3)nc12 21599222 PLUBAWQPNPMSTD-JTQLQIEISA-N 324.427 2.286 0 40 DEAB O=C(OCC(=O)N1CCc2sccc2C1)c1cc(Cl)c[nH]1 32888336 RYFUSLSEAWCEHM-UHFFFAOYSA-N 324.789 2.471 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NCCC(=O)N1CCCCC1 46460398 WGJVUSMITGVVGS-UHFFFAOYSA-N 307.394 2.239 0 40 DEAB Cc1ccc(C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)C(C)C)cc1 32975825 OEGCQYWZXAHBDG-HOTGVXAUSA-N 318.417 2.045 0 40 DEAB CN(C)[C@@H](CNCC(=O)N1CCc2ccccc21)c1ccccc1 22037721 BBZVGRICMCUYEN-IBGZPJMESA-N 323.440 2.468 0 40 DEAB Cc1ncsc1C(=O)Nc1cccc(N2CCNC2=O)c1 47041856 GIZGOLJYRDBBQG-UHFFFAOYSA-N 302.359 2.233 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CC(c2ccccc2)=NO1 22332439 HOTPBMWGIBTAQK-QGZVFWFLSA-N 324.336 2.225 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(N(C)C)nc1 22421206 VFUZDJLGELPXKL-UHFFFAOYSA-N 301.394 2.069 0 40 DEAB C[C@]1(NC(=O)Cc2ccc3ccccc3c2)CCS(=O)(=O)C1 22548032 ASLIFMHSYLCRGK-KRWDZBQOSA-N 317.410 2.076 0 40 DEAB CC[C@H](C)NC(=O)COC(=O)c1cc(Cl)c2c(c1)OCO2 8546813 UUEBTXGIAOAEEH-QMMMGPOBSA-N 313.737 2.140 0 40 DEAB Cc1ocnc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1nccs1 91840008 AHQDKEUSTFPQGA-JTQLQIEISA-N 322.390 2.223 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100376644 QLDBIMFBXSTJIF-FIQHERPVSA-N 309.243 2.148 0 40 DEAB O=C(NCc1ccco1)[C@@H]1[C@H]2CC[C@@H](C2)N1Cc1nccs1 107260931 JLGJSIXQZWVWPQ-HUBLWGQQSA-N 317.414 2.405 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(c2ccc(F)cc2Br)C1 34940567 RQOLVSJIXNFVTE-ZCFIWIBFSA-N 302.099 2.026 0 40 DEAB O=C(CN1CCC[C@H]2CCC[C@@H]21)NC1CCC2(CC1)OCCO2 107507248 WECKBWAJOZSVHN-ZBFHGGJFSA-N 322.449 2.053 0 40 DEAB CC(C)(C)C(=O)CSc1nnc(Cc2ccccc2F)n1N 3289219 FGZUNNXFAZNWHM-UHFFFAOYSA-N 322.409 2.429 0 40 DEAB O[C@@H](Cn1nnc(-c2ccccc2)n1)c1ccc(F)cc1F 57265776 ZJCFGEPYZGBBKW-AWEZNQCLSA-N 302.284 2.352 0 40 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DEAB Cc1cc(C)n(-c2cccc(C(=O)NCCn3ccnc3)c2)n1 19574750 TYGJOZMERHHREY-UHFFFAOYSA-N 309.373 2.116 0 40 DEAB Cc1cc(N2CCN(CC3CC3)CC2)cc([C@H]2CCCN2)n1 19697995 IWVZEMCDOVUVBP-QGZVFWFLSA-N 300.450 2.347 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)[C@@H]1COc2ccccc21 164038945 XMWZSWWFDUCVLN-ZBFHGGJFSA-N 312.369 2.101 0 40 DEAB Cc1ccc(Nc2nc([C@@H]3CCCN3CC(N)=O)cs2)nc1 607853185 IQELKUBSWHPCQR-LBPRGKRZSA-N 317.418 2.212 0 40 DEAB COC(=O)[C@H]1CCC2(CCN(C(=O)OC(C)(C)C)CC2)OC1 238360242 IAKYYWIEGKYBEA-LBPRGKRZSA-N 313.394 2.356 0 40 DEAB COCCNC(=O)COC(=O)c1c(C)c(C)c(C)c(C)c1C 4580791 GYNXBGRMLYEZBJ-UHFFFAOYSA-N 307.390 2.148 0 40 DEAB O=C(NC1CN(c2cnccn2)C1)c1cc2ccccc2s1 1888888354 AVJLCKOUWHTJQZ-UHFFFAOYSA-N 310.382 2.310 0 40 DEAB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1CC1 29804619 FFDLGIIKSNXSJH-OAHLLOKOSA-N 308.809 2.240 0 40 DEAB CC(C)c1noc(CN2CCC(Oc3ncc(F)cn3)CC2)n1 1776009139 WCOCFNMKGDXQCT-UHFFFAOYSA-N 321.356 2.166 0 40 DEAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H](C(=O)O)C2)s1 383334244 TYYUVGWTSYUSGK-WDEREUQCSA-N 317.432 2.287 0 40 DEAB CN(C)CCN1CCCC12CCN(C(=O)c1ccccc1)CC2 1565548375 YFKHMCLWIVJOCB-UHFFFAOYSA-N 315.461 2.319 0 40 DEAB Cc1c(C)n2c(SCc3ccc(F)cc3)nnc2[nH]c1=O 4250480 XAMKEENCAGFYDJ-UHFFFAOYSA-N 304.350 2.466 0 40 DEAB CCC(CC)CN1CCO[C@@H]2C[C@@H](C(=O)NCC3CC3)C[C@H]21 2055713696 ZTZXFBXXVXWEEL-GVDBMIGSSA-N 308.466 2.428 0 40 DEAB COC[C@](C)(NC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 96456599 XUHIUYVBHUIXLP-SFHVURJKSA-N 312.369 2.077 0 40 DEAB COc1ccc(-n2cc(CNC(=O)[C@@H]3C[C@H]4C=C[C@H]3C4)nn2)cc1 102684612 PIMKYDCFMKXHHC-GDZNZVCISA-N 324.384 2.104 0 40 DEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@@H]1CC=CCC1 40487862 LTDATWJDWBQSHX-CYBMUJFWSA-N 302.374 2.357 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)Nc1cccc2cccnc12 40477719 QCRIZTPCTBNUTG-NSHDSACASA-N 300.362 2.271 0 40 DEAB COc1cccc(CC(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 68206315 FSNQDPBJXQAEDA-KRWDZBQOSA-N 324.380 2.159 0 40 DEAB COc1ccc2c(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c[nH]c2c1 20441744 CPLDFFPVDWBVMY-VXGBXAGGSA-N 302.374 2.468 0 40 DEAB CC(=O)c1ccc(N2CCN(C(=O)c3cc(C)no3)CC2)cc1 45617413 VHDSRDFNAYHVMZ-UHFFFAOYSA-N 313.357 2.148 0 40 DEAB CCc1ccccc1N(CC(=O)N1CCCCC1)S(C)(=O)=O 786773 OQUCTUQBAFKOBW-UHFFFAOYSA-N 324.446 2.028 0 40 DEAB COC(=O)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N1 40566595 LMESCXZYKUQWTJ-HZSPNIEDSA-N 305.374 2.221 0 40 DEAB COc1ccc([C@@H](NC(=O)CCSC)c2nccn2C)cc1 29133771 JZJKTSUBWRBJAY-OAHLLOKOSA-N 319.430 2.387 0 40 DEAB COc1c(C)cccc1C(=O)NC(=S)NCc1ccco1 9140914 UYEKKWKWPFWBJW-UHFFFAOYSA-N 304.371 2.401 0 40 DEAB Cc1c(C(=O)N(C)CCCOc2ccc(F)cc2)cnn1C 42076144 KXUHEIRNZSQYRE-UHFFFAOYSA-N 305.353 2.409 0 40 DEAB CCOC(=O)C1CCN(CC(=O)Nc2ccc(C)cc2)CC1 2731263 GHHGVNOCOFYIFC-UHFFFAOYSA-N 304.390 2.209 0 40 DEAB O=C(CCNC(=O)c1ccncc1)N[C@@H]1CCCc2ccccc21 42200949 OWZSIUWKZJCITR-QGZVFWFLSA-N 323.396 2.395 0 40 DEAB CCN1CCCN(c2ncccc2C(=O)N2CCCCC2)CC1 89977268 WBTDAZUNXRNXKG-UHFFFAOYSA-N 316.449 2.240 0 40 DEAB COc1ccc(CN(C)C(=O)CSc2nc(C)n[nH]2)cc1F 22988900 WZLJXRWGVMKRIU-UHFFFAOYSA-N 324.381 2.012 0 40 DEAB Cn1cc(NC(=O)C2(c3ccc(F)cc3F)CCOCC2)cn1 89777632 KMCDYWPSNFJTJC-UHFFFAOYSA-N 321.327 2.385 0 40 DEAB CN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C1=O 100766231 JJOJNMDLZMOZAF-PMPSAXMXSA-N 308.337 2.163 0 40 DEAB CC1(C)NC(=O)N(Cc2coc(-c3ccc(F)cc3)n2)C1=O 24245225 YJZXFIXWVFRAKH-UHFFFAOYSA-N 303.293 2.311 0 40 DEAB COCCNC(=O)c1ccccc1NC(=O)c1occc1C 25166955 YOANBRYAYIFBNZ-UHFFFAOYSA-N 302.330 2.217 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2[C@@H](C(N)=O)c2ccccc2)n1 106843679 NYCONMAAGPSQGH-IAGOWNOFSA-N 312.417 2.191 0 40 DEAB COc1cccc(CN[C@@H](C(N)=O)c2ccccc2)c1OC 56201801 KQLSPLLFOBSEBL-OAHLLOKOSA-N 300.358 2.020 0 40 DEAB CC1CCN(CCCNC(=O)c2ccc3c(c2)OCCO3)CC1 28068306 BGTZLCZQASTFNZ-UHFFFAOYSA-N 318.417 2.310 0 40 DEAB CCOC(=O)CCNC(=O)Cc1ccc(OC(F)(F)F)cc1 58217410 JUNHXNMWFLIFJD-UHFFFAOYSA-N 319.279 2.197 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1 44971213 PIDKMZDVUQNJJY-JTQLQIEISA-N 315.826 2.212 0 40 DEAB NC(=O)c1cnc(N2CCO[C@H](c3ccccc3)C2)c(Cl)c1 44978646 RKACHVYZBWKQFW-AWEZNQCLSA-N 317.776 2.412 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1 20744868 VCYBCQMLRFRPAX-WCQYABFASA-N 301.371 2.301 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1c(C)nn(C)c1C 48272678 YDMXAKHFFQSHGR-UHFFFAOYSA-N 310.357 2.102 0 40 DEAB CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)cc1 3881821 GSGREUANUSWPFE-ATNYBXOESA-N 313.353 2.181 0 40 DEAB biogenic COc1c(C)cc(CN(C)CC(=O)NCC(F)(F)F)cc1C 69416634 DUDXOCBLFFVCGE-UHFFFAOYSA-N 318.339 2.422 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1Cc1c[nH]nc1-c1cccc(Cl)c1 92042167 NIBYLIHFMLXFNJ-XHDPSFHLSA-N 321.808 2.312 0 40 DEAB COC[C@H](C)NC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 65428149 ZELIVJDKFSSAGD-JSGCOSHPSA-N 320.389 2.339 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1Cc1nnc(-c2cccs2)o1 14093768 JEUWUMAUZACENC-UHFFFAOYSA-N 318.358 2.163 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(-n2cnnn2)cc1 6526676 PJJQMVITJDWPFV-UHFFFAOYSA-N 313.748 2.497 0 40 DEAB Cc1csc(S[C@@H](C(=O)NC(N)=O)c2ccccc2)n1 8774579 PLCDCBPAMXTGTM-SNVBAGLBSA-N 307.400 2.480 0 40 DEAB CCOC(=O)c1ccc(NS(=O)(=O)c2c(C)n[nH]c2C)cc1 6909314 JSVSKOBMYOUSOV-UHFFFAOYSA-N 323.374 2.004 0 40 DEAB O=C(COC(=O)c1cc(F)cc(F)c1)NCCc1ccccc1 7032448 PMVRESGRVJQCJP-UHFFFAOYSA-N 319.307 2.481 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 8884286 DXSNJUFMCSWKKD-GFCCVEGCSA-N 316.810 2.011 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)NC[C@@H]2CCCO2)c1 71857052 PSCYNFKARHCZQX-HNNXBMFYSA-N 300.362 2.481 0 40 DEAB CN(CC(=O)NCC1(c2ccccc2)CC1)Cc1cscn1 71828262 JYMOTHAQJIRDTP-UHFFFAOYSA-N 315.442 2.423 0 40 DEAB C[C@@H](CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 71841482 MKIDKXRTYYNXBB-FZMZJTMJSA-N 306.381 2.022 0 40 DEAB COc1ccc(OC)c2c1CN([C@H](C)c1nnc(C)o1)C[C@H]2O 71819438 CZXKAVHFXOSMPN-BXKDBHETSA-N 319.361 2.005 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)CCCc2ccccn2)no1 76043238 HGWFVIKDQBHZGA-AWEZNQCLSA-N 300.362 2.459 0 40 DEAB COCc1noc(C2(c3ccc(OC)cc3)CCOCC2)n1 72273542 HJEIJCKEJZYTQB-UHFFFAOYSA-N 304.346 2.321 0 40 DEAB CCC[C@H](C)CS(=O)(=O)N[C@@H](C)CN1CCC[C@H](C)C1 97104268 NHOZXKDIMLWSPD-KKUMJFAQSA-N 304.500 2.462 0 40 DEAB Cc1cc(C)nc(NC2CCN(C(=O)NC(C)(C)C)CC2)n1 97234960 DZRZZZBNTGIDIN-UHFFFAOYSA-N 305.426 2.478 0 40 DEAB CCCn1cc(NC(=O)Nc2ccc(F)c(C(=O)NC)c2)cn1 72941215 GMJHROUMTYXCPC-UHFFFAOYSA-N 319.340 2.436 0 40 DEAB COc1c(C(=O)N2CCO[C@H](c3cccs3)C2)c(C)nn1C 95415917 CGAKPMISRFFTLG-NSHDSACASA-N 321.402 2.012 0 40 DEAB CC(C)c1nc(C(=O)NCCNc2ncnc3ccccc23)c[nH]1 95401007 ZUEIGZOSWOTLFY-UHFFFAOYSA-N 324.388 2.318 0 40 DEAB Cc1nonc1C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1 95435504 HIAUNEMCLSQGKG-TZMCWYRMSA-N 301.346 2.276 0 40 DEAB Cn1c(=O)n(Cc2nc(-c3cccs3)no2)c2ccccc21 73322784 NVKBAAQZJOFPEA-UHFFFAOYSA-N 312.354 2.500 0 40 DEAB Cc1noc(C)c1CCCNC(=O)N1CCC[C@H]1C(C)(C)O 95939452 CXAAFDCNYCXKSK-AWEZNQCLSA-N 309.410 2.169 0 40 DEAB CC(C)CN(C)S(=O)(=O)N[C@@H](C)c1ccc(F)c(F)c1 95993823 OKBGRLRKEUOKSU-JTQLQIEISA-N 306.378 2.448 0 40 DEAB CS(=O)(=O)N(CCN1CCCC1)Cc1ccc(Cl)cc1 89484413 YBHGLGYUCFDSQG-UHFFFAOYSA-N 316.854 2.197 0 40 DEAB O=C(NCC1(O)CCSCC1)c1ccc2ccccc2n1 75120701 XZJNQRASCUKNNU-UHFFFAOYSA-N 302.399 2.223 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 28776168 UAYDUGMMNMNEQS-UHFFFAOYSA-N 322.361 2.263 0 40 DEAB CN(CCC(=O)Nc1cc(N)ccc1F)Cc1ccns1 404408340 YICVSAJUKMROEV-UHFFFAOYSA-N 308.382 2.325 0 40 DEAB C[C@H]1CCCC[C@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 509117449 KQENANXCVYEGID-AJNGGQMLSA-N 320.437 2.376 0 40 DEAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1cccc(F)c1 218569309 KYVOZJXDVMYRLH-HRCADAONSA-N 306.358 2.374 0 40 DEAB C[C@@H]1CN(Cc2cccc(NC(=O)c3cc[nH]n3)c2)C[C@@H](C)O1 78152550 MFFRRAWVYVNTJS-CHWSQXEVSA-N 314.389 2.271 0 40 DEAB C[C@@H](Nc1ccc(S(N)(=O)=O)cc1C(=O)O)c1ccccc1 217535366 FEXBBMLGSIWSBQ-SNVBAGLBSA-N 320.370 2.205 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CCCCN1C(=O)CCc1cscn1 78878109 MANQTSVCLLVLGA-CYBMUJFWSA-N 323.462 2.372 0 40 DEAB Cn1cnc(-c2ccc(I)c(F)c2)n1 2362801295 BOGXMFRDYYIECO-UHFFFAOYSA-N 303.078 2.226 0 40 DEAB CNC(=O)CCc1cc(C)nc([C@H]2CCCN(C(C)C)C2)n1 72366391 WAWSOQSFVQTWFG-AWEZNQCLSA-N 304.438 2.051 0 40 DEAB Cc1ccc(F)c(NC(=O)NCCCCN2CCC[C@H]2CO)c1 76331560 NZOIUTGKVDRSCL-AWEZNQCLSA-N 323.412 2.493 0 40 DEAB O=C(CC1(O)CCCCC1)N1CCC[C@@H](c2cnccn2)C1 72386154 SHPRTRLETJBNGZ-CQSZACIVSA-N 303.406 2.268 0 40 DEAB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CC 224592176 TXVREXQFBVQTJA-HNNXBMFYSA-N 306.406 2.349 0 40 DEAB C[C@]1(c2ccccc2)C[C@@H]1C(=O)NCC(=O)Nc1cccnc1 569313689 YJNSHKWYNMXFDT-CRAIPNDOSA-N 309.369 2.114 0 40 DEAB COc1cc([C@@H](C)NC(=O)N2CC[C@H](CN(C)C)C2)ccc1F 130497446 PNAXYKMLWPGBTD-CHWSQXEVSA-N 323.412 2.488 0 40 DEAB Cc1cccc(NC(=O)c2cc(N3CCOCC3)on2)c1C 224072400 YHYAFEQHFXWWMW-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB COc1ccccc1C(=O)NCc1nccc(N2CCCC2)n1 96120746 TWZYIGQRAOSWBK-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB CCn1cc(S(=O)(=O)NC[C@H](C)Cc2cccs2)cn1 96428364 VUUOEELTPUQPSF-LLVKDONJSA-N 313.448 2.122 0 40 DEAB CC(C)(C)NCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 96437217 OULQMMWJXJZMFI-KGLIPLIRSA-N 318.417 2.066 0 40 DEAB CCc1nnc(O)c(CNC(=O)[C@@H](C)C(F)(F)F)c1CC 331216140 OXXWMAMYQIFDGM-SSDOTTSWSA-N 305.300 2.122 0 40 DEAB CCN1CC=C(c2c(C(=O)O)nnn2-c2ccccc2F)CC1 96516568 ISQXDXYBUDGENO-UHFFFAOYSA-N 316.336 2.214 0 40 DEAB Cc1ccc(N2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)nn1 96199604 ZRXDJSOTJCYDPA-MRXNPFEDSA-N 322.412 2.428 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 95448300 BDJBZTVABQCBKT-ZDUSSCGKSA-N 300.362 2.407 0 40 DEAB CC[C@@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1cccs1 96424712 VTBCKZJLULGLFX-HUUCEWRRSA-N 310.463 2.332 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Oc1cccc2c1CCCC2 96445120 KCXWRIYQQGJBKV-LBPRGKRZSA-N 308.399 2.296 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575405431 HXYLSZBVVLQIJB-FVQBIDKESA-N 311.385 2.329 0 40 DEAB Cc1csc([C@H]2CN(C(=O)NCCc3ccco3)CCO2)n1 669849598 CEGIJBMLPRMROA-CYBMUJFWSA-N 321.402 2.370 0 40 DEAB COc1cnc(N2CCN(c3cccc(Cl)c3)CC2)nc1 1889119570 HLEONFDMVKXCJX-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB CO[C@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]1Cc1cnn(C)c1 1565550918 JWKJPBKRYJDDHW-HJWJTTGWSA-N 319.449 2.405 0 40 DEAB Cc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1 1565522156 CEWCVJUOZGDESS-UHFFFAOYSA-N 316.386 2.332 0 40 DEAB O=C(Nc1ccc(Cl)cc1)C1=CC(=O)N2CCCN=C2S1 1442126 JTYMSPSTSBFDTH-UHFFFAOYSA-N 321.789 2.498 0 40 DEAB CCOC(=O)CCCC(=O)c1ccc(N2CCOCC2)cc1 575358915 XZOGTGZAHMYPKU-UHFFFAOYSA-N 305.374 2.439 0 40 DEAB CCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2CC 5598026 AQNBGQLJCYVCBR-UHFFFAOYSA-N 304.371 2.118 0 40 DEAB in-vitro CN(Cc1cccnc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40487818 XSSFQGZHTYWRDQ-CQSZACIVSA-N 313.332 2.305 0 40 DEAB COC(=O)c1cccc(NC(=O)CSc2nccc(C)n2)c1 419498 HUTARCACXOYTFD-UHFFFAOYSA-N 317.370 2.302 0 40 DEAB Cc1c(CNc2cccc3cccnc23)c(O)nn2cnnc12 3149245 DAHUPTFGULSBHS-UHFFFAOYSA-N 306.329 2.299 0 40 DEAB CC(C)(C)c1cnc(CN(Cc2ccccn2)S(C)(=O)=O)o1 89725185 NWNHLRCRIMLGQO-UHFFFAOYSA-N 323.418 2.329 0 40 DEAB Cc1nccn1-c1cc(CNC(=O)Nc2ccccn2)ccn1 46101240 CHSITFSLNBSIKC-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB Cc1nc(NC[C@H]2CCCO2)c2nnn(Cc3ccccc3)c2n1 4383524 FVQFKTITIJIBFB-CQSZACIVSA-N 324.388 2.169 0 40 DEAB CCN(CCC(=O)O)S(=O)(=O)c1ccc2c(c1)CCCC2 32217348 QGRFRWFNQPBTMH-UHFFFAOYSA-N 311.403 2.051 0 40 DEAB CCC(=O)c1cn(CC(=O)NCCCOC)c2ccccc12 6308276 OTIYRTXMRQVKLU-UHFFFAOYSA-N 302.374 2.387 0 40 DEAB COc1ccc(C(=O)[C@@H](NCCO)c2ccc(OC)cc2)cc1 6484415 WDBDUUKNVNULMC-KRWDZBQOSA-N 315.369 2.210 0 40 DEAB CCCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 7881358 XYCBXTYBRIMDEE-ZDUSSCGKSA-N 319.357 2.471 0 40 DEAB CCOC(=O)[C@@H]1S[C@@]2(C(F)(F)F)C[C@@]1(O)C(C)(C)CO2 102697435 GPTVOGPGALFQQS-BKDNQFJXSA-N 314.325 2.101 0 40 DEAB C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 2628595 UEQADXFKBJNFCS-SNVBAGLBSA-N 321.354 2.239 0 40 DEAB O=C1NCCN1C1CCN(CCOc2ccc(Cl)cc2)CC1 52216294 QQNAGTPZFJPJDQ-UHFFFAOYSA-N 323.824 2.208 0 40 DEAB O=C(NCC1(O)CCCC1)c1cnc(Oc2ccccc2)cn1 91054708 ACLQNUDHNGQECL-UHFFFAOYSA-N 313.357 2.304 0 40 DEAB Cc1ccc(CNC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 32863584 SEFHCOVHWHXPFH-KRWDZBQOSA-N 319.449 2.151 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1nn2cc(C)nc2s1 69667061 DRYVXXNZHZLBMN-STQMWFEESA-N 319.434 2.079 0 40 DEAB CCn1cnnc1CNC(=O)N1CCC[C@H]1Cc1ccccc1 46964867 LFCFWIUCMDSXDA-HNNXBMFYSA-N 313.405 2.215 0 40 DEAB Nn1c(SCc2cccc(F)c2)nnc1-c1ccccn1 526397 YTUNKOAWPNHCDF-UHFFFAOYSA-N 301.350 2.485 0 40 DEAB c1ccc2c(c1)CCC[C@@H]2OCCCNc1ccc2nnnn2n1 71905252 WRTKWVGPCOHFBE-HNNXBMFYSA-N 324.388 2.416 0 40 DEAB CCOC(=O)N1[C@H]2c3ccccc3[C@@H]3[C@@H]([C@H]21)N3C(=O)OCC 104083796 AHHWXIUFNYQOQQ-MZQAJMAWSA-N 302.330 2.464 0 40 DEAB CC(C)c1ccc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100759887 GSGREUANUSWPFE-FSZRXZPDSA-N 313.353 2.181 0 40 DEAB Fc1ccc(N2CCN(Cc3noc(C4CC4)n3)CC2)cc1 53602395 WZONTMOEBMVQLC-UHFFFAOYSA-N 302.353 2.408 0 40 DEAB CCOc1ccccc1[C@H]1[C@H](C(=O)O)CCC(=O)N1CCOC 12412518 SVVAUUOKQKJTKK-CJNGLKHVSA-N 321.373 2.096 0 40 DEAB CCN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)O)cc1 37502272 XAQSXIYSAXSKIV-UHFFFAOYSA-N 309.343 2.189 0 40 DEAB CCN(c1ccc(C(=O)N2CCC[C@H]2C(N)=O)cc1)C(C)C 103954715 ZTAFEMBQLAISMS-HNNXBMFYSA-N 303.406 2.011 0 40 DEAB 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CCC(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[nH]2)CC1 19498540 VQZKBNMPOMDCPP-UHFFFAOYSA-N 318.402 2.009 0 40 DEAB CN(c1ccccn1)C1CCN(C(=O)c2cncc(F)c2)CC1 1889119193 NLPRYLVMEUYUOQ-UHFFFAOYSA-N 314.364 2.357 0 40 DEAB O=C(CCCc1ccccc1)N1CCCN([C@@H]2CCOC2)CC1 1565522474 RFILVDNZLAHLJO-GOSISDBHSA-N 316.445 2.333 0 40 DEAB O=C(NCCc1ccccc1)N1CCN(c2ccncc2)CC1 31028117 GQPMSRLZSCVMSY-UHFFFAOYSA-N 310.401 2.156 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 40513425 VBQJJJDRKQFLKM-LLVKDONJSA-N 304.781 2.488 0 40 DEAB Cn1cnnc1S(=O)(=O)Cc1c(Cl)cccc1Cl 40539981 XHSPDIMXRGCZGG-UHFFFAOYSA-N 306.174 2.096 0 40 DEAB Cc1ccccc1CNS(=O)(=O)c1cc(C(=O)O)ccc1F 3623748 AVCLHCDGWFSMRV-UHFFFAOYSA-N 323.345 2.311 0 40 DEAB COc1cccc(CNc2nnnn2-c2ccccc2)c1OC 52471812 WMADYVLVTQLAPB-UHFFFAOYSA-N 311.345 2.292 0 40 DEAB CCCc1cc(NC(=O)CCn2c(=O)oc3ccccc32)n[nH]1 69618448 KRULQVLDQVRPOU-UHFFFAOYSA-N 314.345 2.299 0 40 DEAB COC(=O)c1ccc(COC(=O)c2ccccc2C(=O)OC)o1 69658438 BJMXEZSLIBRDOX-UHFFFAOYSA-N 318.281 2.210 0 40 DEAB O=C(Nc1ccccn1)[C@H]1CSCN1C(=O)C1CCCC1 69696736 QUOHMICOCGHEMD-GFCCVEGCSA-N 305.403 2.112 0 40 DEAB CS(=O)(=O)Nc1cccc(C(=O)NCCc2cccs2)c1 21911797 IAHNLEQDDFWBLK-UHFFFAOYSA-N 324.427 2.092 0 40 DEAB O=S(=O)(NC[C@H]1CCCN1)c1c(Cl)cccc1Cl 53254772 JKTGHDJCPWCIGE-MRVPVSSYSA-N 309.218 2.024 0 40 DEAB COc1ccccc1-n1ccn(Cc2ccccc2)c(=O)c1=O 22722364 YEHAOFFSHICDJL-UHFFFAOYSA-N 308.337 2.056 0 40 DEAB Cc1c(Br)c(C(=O)NCc2ccccc2)nn1C 28304273 QNFLXCQZZAFULH-UHFFFAOYSA-N 308.179 2.421 0 40 DEAB NC(=O)[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 54551161 VBPOWFAOMBPOCX-SFHVURJKSA-N 308.381 2.061 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc21)N[C@H](CO)Cc1ccccc1 119028944 UCBXFKBABXVRQN-IRXDYDNUSA-N 310.397 2.229 0 40 DEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)CCn2cnc3ccccc32)C1 24700616 UNDZRHDIACBILJ-ZIAGYGMSSA-N 321.446 2.344 0 40 DEAB CC(=O)NCCc1ccc(C(=O)NOCc2ccccc2)cc1 25038736 YCMVSWFAAHJHSC-UHFFFAOYSA-N 312.369 2.227 0 40 DEAB C[C@H](NC(=O)N[C@H](C)c1ccncc1)C(=O)N1CCCC[C@@H]1C 106768111 BOIVWMQYVFIRKE-MJBXVCDLSA-N 318.421 2.231 0 40 DEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccco1 3188217 SQHQUVPFOHBARY-CQSZACIVSA-N 312.325 2.275 0 40 DEAB CN1CC[C@@H](CN[C@@H](C(N)=O)c2ccccc2)c2ccccc21 106828564 MMZKEXQIZUZBHD-MAUKXSAKSA-N 309.413 2.426 0 40 DEAB CC/C=C(\C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 55829911 OYDMRRTWQAICIJ-WHGQRRHOSA-N 324.446 2.470 0 40 DEAB COc1ccc(OC)c(CN[C@@H](C(N)=O)c2ccccc2)c1 25499855 ZRZFWOZYNQDNQX-MRXNPFEDSA-N 300.358 2.020 0 40 DEAB CC(C)(C)c1ccc(C2(C(=O)NCCS(C)(=O)=O)CC2)cc1 56015374 DAFSVUATFFFJNO-UHFFFAOYSA-N 323.458 2.177 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)N[C@H]1CCOc2ccccc21 56794011 DEHLHAXTKPKMPJ-JSGCOSHPSA-N 319.405 2.114 0 40 DEAB O=C1CCCN1CCCS(=O)(=O)c1ccc(F)c(Cl)c1 58218698 KKAXIBMTISXANO-UHFFFAOYSA-N 319.785 2.265 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)C1 67360307 RMISZZUZXZISLI-OAHLLOKOSA-N 314.389 2.299 0 40 DEAB Cc1nc2cc(NC(=O)[C@@H]3CC(=O)N(CC4CC4)C3)ccc2o1 36397374 AFGZYCCFFFVIKW-GFCCVEGCSA-N 313.357 2.333 0 40 DEAB COC[C@H](C)N(C)C(=O)c1cc2cc(OC)cc(OC)c2[nH]1 48311617 XXGQRUAOLBCNPD-JTQLQIEISA-N 306.362 2.292 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@H]2Cc3ccccc3S2)c(=O)[nH]1 12826113 SHRBXJYSXDSDGG-OAHLLOKOSA-N 314.410 2.325 0 40 DEAB Cc1nn(C)cc1CNC(=O)c1c(C)nn(-c2ccccc2)c1C 28229347 IDFSUFMFDPGREF-UHFFFAOYSA-N 323.400 2.461 0 40 DEAB O=C(NCCNC(=O)[C@@H]1CCCc2ccccc21)c1ccco1 13019658 HZBMUJMEZZKVOM-OAHLLOKOSA-N 312.369 2.246 0 40 DEAB CN(Cc1nnc2ccccn12)C(=O)NCCc1cccs1 69420546 WMJYMNHIQXWXQW-UHFFFAOYSA-N 315.402 2.175 0 40 DEAB COC(=O)c1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1 5088933 JBJBGRXNYNUWIJ-UHFFFAOYSA-N 312.304 2.314 0 40 DEAB CC(C)Oc1ccccc1C(=O)NCCCn1ccccc1=O 69780329 KKUMBBBLFUECEN-UHFFFAOYSA-N 314.385 2.456 0 40 DEAB C[C@H](N[C@H](C)[C@@H](C)n1cccn1)c1nc(=O)c2ccccc2[nH]1 69597379 JUZUYYQREVQERG-FRRDWIJNSA-N 311.389 2.420 0 40 DEAB CCN(CC)CCNC(=O)c1cc(C)n(-c2ccccc2)n1 65415659 LROOGMHFBPJLQK-UHFFFAOYSA-N 300.406 2.252 0 40 DEAB O=C(O)c1cnc(/C=C/c2cnc(N3CCCC3)nc2)s1 65593825 OEOYIVDLILHTQN-ONEGZZNKSA-N 302.359 2.402 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(=O)OC 5322604 XOWSIKAOUJCCKV-YGRLFVJLSA-N 321.377 2.354 0 40 DEAB COc1ccc(CCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 5457071 BVCOUPYEJNCOOU-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB CC1(C)CC(=O)c2ccc(OCCN3CCOCC3)cc2O1 20478223 GIHQLXCZVDLTRG-UHFFFAOYSA-N 305.374 2.141 0 40 DEAB NC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 6602539 GXHZSCAUPWCTDN-UHFFFAOYSA-N 313.313 2.201 0 40 DEAB NC(=O)N1CCC(Nc2ccc(-c3csnn3)cc2)CC1 92155326 OQHUHEFSIJMPNH-UHFFFAOYSA-N 303.391 2.160 0 40 DEAB CCCCC[C@]1(C(=O)OCC)C[C@@H](CSC(=N)N)OC1=O 5846590 ZZDUENIWLHLXCW-IINYFYTJSA-N 316.423 2.058 0 40 DEAB CNC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2C)c2ccccc2O1 15497489 FZTZRSBJJDVEFP-KRWDZBQOSA-N 324.380 2.457 0 40 DEAB CCOCCCNC(=O)CSc1nc2ccccc2n1C 9155183 ORTCJQATYJJFTL-UHFFFAOYSA-N 307.419 2.208 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)NC[C@@H](C)c2ccsc2)C1 89900797 ZTJBEBWBQAOMSO-ABAIWWIYSA-N 310.419 2.446 0 40 DEAB CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCCN(C)C2)cc1 96419270 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C[C@H](CNC(=O)CSc1nccc2ccccc12)[S@](C)=O 95436492 NNZPPQCGTNSHSN-WSVYEEACSA-N 322.455 2.210 0 40 DEAB CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@H]2O)cc1C 84810484 KNADUDNVSGZTPY-HUUCEWRRSA-N 306.406 2.354 0 40 DEAB NC(=O)CN1CCN(Cc2cc(-c3ccccc3)cs2)CC1 95982371 YCDCPFUEUWJXIU-UHFFFAOYSA-N 315.442 2.018 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@H]1NCCC1Cc2ccccc2C1 95985137 SWCJWNCTPMSOKU-SJORKVTESA-N 307.459 2.347 0 40 DEAB Cc1nc([C@H]2CN(Cc3ccccc3N(C)C)CCO2)no1 95962564 NWGZSZCGSUANAA-OAHLLOKOSA-N 302.378 2.018 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(C(C)C)[nH]n1 95980315 OSWZJRUIGVEBJC-CQSZACIVSA-N 317.393 2.087 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2ccco2)o1 79588251 WTQSDPAVGWWDME-NEPJUHHUSA-N 303.314 2.469 0 40 DEAB CCn1cnnc1CNC(=O)N1CCSC2(CCCCC2)C1 79941350 SLKVAQRRHCTDAM-UHFFFAOYSA-N 323.466 2.259 0 40 DEAB NC(=O)C1(CNCc2csc3ccccc23)CCOCC1 86250447 IYEACPJPMXNZDI-UHFFFAOYSA-N 304.415 2.273 0 40 DEAB Cc1cccc(-c2ccc(C(=O)NCc3ccnn3C)c(=O)[nH]2)c1 75119586 NABJSWMGIOWORR-UHFFFAOYSA-N 322.368 2.014 0 40 DEAB Cc1cnc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 60934590 HUTRLBVVRILHSD-UHFFFAOYSA-N 323.399 2.137 0 40 DEAB COc1c2c(cc3c1OCO3)[C@@]13C=C[C@@H](OC)C[C@H]1N(CC3)C2 4411134 RNEXSBPDDRJJIY-MZKGEVEHSA-N 315.369 2.225 0 40 DEAB biogenic COc1cccc(C2CCN(C(=O)[C@H]3CCC(=O)N3C)CC2)c1 187657419 LOSQBKSMYDTLJW-MRXNPFEDSA-N 316.401 2.022 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2cccs2)CC1 36613693 RZEIWLDGKUAPRR-UHFFFAOYSA-N 316.430 2.307 0 40 DEAB O=C(COc1cc(C(=O)O)cc(C(=O)O)c1)Nc1ccccc1 217725960 XOBRYTRLAUBHFM-UHFFFAOYSA-N 315.281 2.101 0 40 DEAB COc1ccc(NC(=O)c2ccccc2F)cc1-n1cnnn1 36366198 KZQVPQJPKMDMEQ-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB COc1ccccc1CNC(=O)CCc1nc2ncccc2[nH]1 79493056 XDRNFWFLIYRPHD-UHFFFAOYSA-N 310.357 2.216 0 40 DEAB Cc1nonc1CN1CCc2nccc(Br)c2C1 521396533 UIMGPHYCLTWWDE-UHFFFAOYSA-N 309.167 2.094 0 40 DEAB O=C(NC/C=C/c1ccccc1)NCC(=O)N1CCCCC1 79036164 QRVXJYFHPFOLRS-JXMROGBWSA-N 301.390 2.012 0 40 DEAB CCOCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccc(Cl)c1 79361587 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41076518 CMRVOFNKSXDCRP-UHFFFAOYSA-N 323.765 2.091 0 40 DEAB CC1(C)C(N)=CS(=O)(=O)N1Cc1c(F)cccc1Cl 222553956 PHEVEUMVZWCGQO-UHFFFAOYSA-N 304.774 2.203 0 40 DEAB CSc1ccccc1C(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 194365445 VMUFPEKFAITYPJ-OLZOCXBDSA-N 304.415 2.292 0 40 DEAB CCOC[C@H]1CN(Cc2ccc(C(=O)O)c(Cl)c2)CCO1 530173584 WULBZYNQNYDKQG-GFCCVEGCSA-N 313.781 2.276 0 40 DEAB CC[C@H]1CN(C(=O)Nc2cc3n(n2)CCCC3)C[C@H](CC)O1 333847619 MSYVGVHYLCMHOZ-KBPBESRZSA-N 306.410 2.641 0 40 DEAB C[C@H]1CN(C(=O)c2ccnc(OC(F)F)c2)CC2(CCC2)O1 578071569 CGSFODKSNCGQFW-JTQLQIEISA-N 312.316 2.467 0 40 DEAB Cc1ccc([C@@H]2[C@H](C(=O)NCc3cccnc3)CC(=O)N2C)cc1 96181337 ZAGMLLMKSSMJJD-SJLPKXTDSA-N 323.396 2.226 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)C)nn1C 96461688 JEKWGMGDZKJKEA-STQMWFEESA-N 321.421 2.395 0 40 DEAB CC(C)(C)c1cc(C(=O)OCc2ccccc2C(N)=O)no1 96441977 HWLWWMOIHZGFRM-UHFFFAOYSA-N 302.330 2.428 0 40 DEAB CC(C)C[C@@H](NC1CCSCC1)c1nc(-c2nc[nH]n2)no1 96493853 PUVJKUIETAUYKA-LLVKDONJSA-N 322.438 2.427 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCN1C(=O)CNC1=O 96447091 AZDBPINFJWKUPF-VXGBXAGGSA-N 323.824 2.316 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(CC(C)C)C[C@@H]32)C(=O)N1CC1CC1 96261484 XSHQNNHYSIINDE-SOLBZPMBSA-N 303.450 2.394 0 40 DEAB O=C(Cc1ccc(-n2cnnn2)cc1)NCCC1=CCCCC1 96117087 AJJWLWSGJLDFOD-UHFFFAOYSA-N 311.389 2.212 0 40 DEAB CC(C)Cc1n[nH]c(NC(=O)c2csc(NC3CC3)n2)n1 95472530 IHFITEWFOVXZRF-UHFFFAOYSA-N 306.395 2.286 0 40 DEAB Cc1ccc(CN2Cc3nccn3C[C@H](CN(C)C)C2)s1 96059175 RYRYPLFPCIKFSF-CQSZACIVSA-N 304.463 2.447 0 40 DEAB Cc1nc(C)c(CN2C(=O)c3ccccc3S2(=O)=O)s1 96424814 JFVSDBODATZPGA-UHFFFAOYSA-N 308.384 2.105 0 40 DEAB CC(C)c1nnc2n1C[C@H](NC(=O)Cc1cccs1)CC2 97198513 UACLAFOEURBFAA-LLVKDONJSA-N 304.419 2.137 0 40 DEAB O=C(CSc1ccncc1)N1CC[C@@H](Oc2ccncc2)C1 244970191 HNOVIYMOUYGWPC-CQSZACIVSA-N 315.398 2.249 0 40 DEAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 243525952 OANOGVGLIJXETB-CYBMUJFWSA-N 318.417 2.462 0 40 DEAB CN1[C@H]2CC[C@@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1CC2 254292593 MNFKNWZDZOBKJX-QBPKDAKJSA-N 303.402 2.321 0 40 DEAB CC(C)n1ccnc1CN1CC[C@@H]2[C@H](CCCC(=O)N2C)C1 257266036 MBHXAJXZQCUMRG-HUUCEWRRSA-N 304.438 2.297 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)n1 257250738 JNVSUZFFIFUVQT-GFCCVEGCSA-N 302.403 2.109 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cc(CC(C)C)no1 257273875 NIOFKPMFRMPGRO-ZDUSSCGKSA-N 318.377 2.118 0 40 DEAB CCCn1ccc(CNCc2cnn(CC(F)(F)F)c2)n1 256049750 BGQCWLKGBMZSHQ-UHFFFAOYSA-N 301.316 2.342 0 40 DEAB CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CC[C@@H](O)[C@@H]1O 257281040 ONJQMEXHFYGZHM-JTNHKYCSSA-N 309.749 2.042 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](c2nnc(O)o2)C1 670383858 PUZYJTJNJZEIHR-LLVKDONJSA-N 312.329 2.276 0 40 DEAB Cc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)no1 46243871 IXJBKBKYOSWKDH-JTQLQIEISA-N 305.403 2.221 0 40 DEAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)NC[C@H]1COCCO1 57080217 MTDCLFFPNUWSSH-KUNBBXKYSA-N 322.449 2.260 0 40 DEAB COC(=O)c1ccc2c(c1)CCN2C(=O)CCc1ccccn1 68732194 IMOZRTWPFBVYMF-UHFFFAOYSA-N 310.353 2.390 0 40 DEAB FC(F)(F)c1nsc(N2CCC[C@H](n3ccnn3)CC2)n1 1548463979 CLOBJXJOCWYRHB-QMMMGPOBSA-N 318.328 2.380 0 40 DEAB C[C@H](NCC(=O)NCCC1=CCCCC1)[C@H](C)n1cccn1 70003960 IAIWUVIMEAHIIX-GJZGRUSLSA-N 304.438 2.429 0 40 DEAB O=C(O)[C@@H]1C=C[C@H](NS(=O)(=O)c2csc3ccccc23)C1 551998509 CPLXXGOUSYINPF-ZJUUUORDSA-N 323.395 2.209 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N(C)CC1(O)CCCC1 95448572 ZHFPCBOFGFNIBN-UHFFFAOYSA-N 301.383 2.060 0 40 DEAB Cc1cn(-c2ccccc2)nc1[C@@H](O)n1nnc2ccccc21 5669731 UDGSOYRGHIKEML-QGZVFWFLSA-N 305.341 2.465 0 40 DEAB COc1cc(NC(=O)c2cn(C)nc2C)cc(OC)c1OC 12015723 SZMOLKOIPHKTNY-UHFFFAOYSA-N 305.334 2.007 0 40 DEAB CCc1c(C(=O)NC[C@H](C)n2cncn2)[nH]c2ccc(F)cc12 12201406 BWHWUSCJANXIBC-JTQLQIEISA-N 315.352 2.452 0 40 DEAB COc1ccc(C(=O)Sc2nc(C)cc(O)n2)cc1OC 16283693 QSJRAGHXEJMZSN-UHFFFAOYSA-N 306.343 2.440 0 40 DEAB CCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 16601487 GVRVPNORDSQQAF-ZDUSSCGKSA-N 324.446 2.390 0 40 DEAB O=C(c1ccccn1)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 19403026 QTZYYOLSEUAKKL-LBPRGKRZSA-N 321.340 2.156 0 40 DEAB COC(=O)COC(=O)c1ccc(Cl)cc1Br 162855447 IFUZSWWNWRSUJV-UHFFFAOYSA-N 307.527 2.432 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(OC)ccc1OC 3501191 TWSYBVSBQYQBOL-YTXTXJHMSA-N 305.330 2.318 0 40 DEAB COC[C@H](C)n1c(SCC(=O)O)nnc1-c1ccccc1 20591641 JALYBPZTCHCKCB-JTQLQIEISA-N 307.375 2.329 0 40 DEAB in-vitro Cc1ccsc1CCC(=O)N[C@@H]1CCN(C2CCOCC2)C1 1888853136 XOSPFVIRZHSFFA-CQSZACIVSA-N 322.474 2.359 0 40 DEAB O=C(c1cc(-c2cccnc2)on1)N1CC(Oc2cccnc2)C1 238951685 XBDNQJIMJWCQQM-UHFFFAOYSA-N 322.324 2.035 0 40 DEAB CC(C)CN1C[C@@H]2CN(C(=O)[C@]3(C)CC=CCC3)C[C@@H]2C1=O 1565554955 LSAAGHHBLNLTKR-RVKKMQEKSA-N 304.434 2.306 0 40 DEAB Cc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1 102790 AYDWXXQNEZIVNC-UHFFFAOYSA-N 309.321 2.448 0 40 DEAB COC[C@](O)(CNC(=O)c1c(F)cccc1F)c1ccccc1 575607556 MPYUYLYBQGKYTN-QGZVFWFLSA-N 321.323 2.229 0 40 DEAB CC(C)c1noc(CN2CCC[C@H](NC(=O)C(C)(C)C)C2)n1 358363188 GGWCEYWXLNGMDY-LBPRGKRZSA-N 308.426 2.320 0 40 DEAB CCOC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 37996 VHASSJYQKYYQIY-VIFPVBQESA-N 306.387 2.146 0 40 DEAB Cc1occc1C(=O)Nc1nc(CC(=O)NC(C)C)cs1 40543441 YZWBYKGDUXAEOC-UHFFFAOYSA-N 307.375 2.364 0 40 DEAB CC(C)NC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 36694934 LBFCWNHHOUGUBD-UHFFFAOYSA-N 323.437 2.038 0 40 DEAB C[C@@H](c1ccc(Br)cc1)N1CCN(CCO)CC1 71900489 KTLMBAWFWFODKO-LBPRGKRZSA-N 313.239 2.120 0 40 DEAB O=C(NCc1ccsc1)N1CCN(c2ccccc2O)CC1 46027764 QLYQGNATYMDGNT-UHFFFAOYSA-N 317.414 2.486 0 40 DEAB Cc1cc(CN2CCN(C(=O)/C=C/c3ccc(C)o3)CC2)on1 32756685 ZEBYVVJXARDPRD-AATRIKPKSA-N 315.373 2.242 0 40 DEAB O[C@H](COc1ccc(F)cc1)CSc1nnc2ccccn12 32750977 PHHUKTUSJGJDEH-GFCCVEGCSA-N 319.361 2.400 0 40 DEAB CNS(=O)(=O)c1ccc(-c2ccc(NC(C)=O)cc2)cc1 8944887 PBCQKKJSVBVFNU-UHFFFAOYSA-N 304.371 2.220 0 40 DEAB O=C1CCc2cc(C(=O)OCc3nnsc3Cl)ccc2N1 32841158 SDAJWHQGCZKBFH-UHFFFAOYSA-N 323.761 2.433 0 40 DEAB CC(C)CN(CC(N)=O)Cc1nc2cc(Cl)ccc2n1C 52536136 BHYGDDKCOFPKKN-UHFFFAOYSA-N 308.813 2.170 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3c(C)nn(C)c3C)C2)n1 105885580 NHOSDFCGNIXXBD-INIZCTEOSA-N 316.453 2.157 0 40 DEAB Cc1c(NC(=O)c2cccc(N)c2)c(=O)n(-c2ccccc2)n1C 3186216 LWAAUSFQUGYCJE-UHFFFAOYSA-N 322.368 2.319 0 40 DEAB Cn1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 55944965 QBFXUHYQLVLOKV-HUUCEWRRSA-N 303.337 2.209 0 40 DEAB O=c1c2ccccc2nnn1CSc1nc2ccccc2[nH]1 12523836 APOLEPOALMFOMX-UHFFFAOYSA-N 309.354 2.418 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@H]3CCOC3)C2)nc1 108095497 CLPBCURHUPKUCS-HUUCEWRRSA-N 303.406 2.077 0 40 DEAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1cncc(Br)c1 47892613 GBDNYLRXEBGXIQ-JTQLQIEISA-N 324.222 2.058 0 40 DEAB C[C@@H](CNC(=O)NC[C@@]1(O)CCSC1)c1cccs1 89901005 CMYGDZTWQGYYQQ-GWCFXTLKSA-N 300.449 2.019 0 40 DEAB C[C@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)NC1CCCC1 58202495 ZNQQCTORUAWARN-VIFPVBQESA-N 310.781 2.223 0 40 DEAB O=C(O)COCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 44980258 GSZNYWNGHTWTJP-UHFFFAOYSA-N 321.329 2.158 0 40 DEAB COc1cccc(C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)c1 58309188 OLHYTJTZSJMGLL-IAGOWNOFSA-N 319.401 2.495 0 40 DEAB Cn1cc([C@H](C(=O)O)N2CCCC2)c2ccc(C(=O)O)cc21 36360826 LIHHBYFHMHMLQH-CQSZACIVSA-N 302.330 2.098 0 40 DEAB CCOC(=O)c1cnc2n1CCN(C(=O)OC(C)(C)C)[C@@H]2C 91303033 RGGKVOQZLJOEMW-SNVBAGLBSA-N 309.366 2.372 0 40 DEAB in-vitro C[C@@H](Cc1ccco1)NC(=O)NC[C@H]1COc2ccccc2O1 28415469 WORIVBHRVNPVJT-JSGCOSHPSA-N 316.357 2.350 0 40 DEAB COC[C@H](C)NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 48251794 CXRUELIPTBRHER-QWHCGFSZSA-N 317.393 2.005 0 40 DEAB CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 48383505 LBYMQSOSDADMJZ-ZIAGYGMSSA-N 316.357 2.042 0 40 DEAB Nc1cc(C(=O)OCC(=O)NCc2cccs2)ccc1Cl 3451360 RDRUJYFWOZPBBT-UHFFFAOYSA-N 324.789 2.457 0 40 DEAB O=C(CN1CC(=O)Nc2ccccc21)Nc1ccc(F)c(F)c1 3459955 GTSASAUBHDREEL-UHFFFAOYSA-N 317.295 2.362 0 40 DEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1ccccn1)C(=O)C2 3841548 NZJRKZFTKAPINZ-NHYWBVRUSA-N 308.403 2.219 0 40 DEAB COC(=O)C[C@H](NC(=O)c1c(C)noc1C)c1ccccc1 69368245 LGULPOZBSWQIKV-ZDUSSCGKSA-N 302.330 2.326 0 40 DEAB CCCN1CCN(C(=O)Cc2nc(-c3ccco3)oc2C)CC1 69484486 KZWBHNLENAHCGF-UHFFFAOYSA-N 317.389 2.340 0 40 DEAB CC(C)CCC(=O)O[C@@H](C)C(=O)NCc1ccc2c(c1)OCO2 6000821 XZSAAWLWKFIHFS-LBPRGKRZSA-N 321.373 2.399 0 40 DEAB Cn1c(Oc2cc(Cl)ccc2Cl)cc(=O)n(C)c1=O 6219125 FPNHHOFAEZQLJM-UHFFFAOYSA-N 301.129 2.183 0 40 DEAB c1ccc(Cc2n[nH]c(-c3ccc(Cn4cnnn4)cc3)n2)cc1 65404952 SQJIISCAVBPVOX-UHFFFAOYSA-N 317.356 2.097 0 40 DEAB COc1cccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)c1 5326890 JFKSZKIQPVTKDR-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccccc2SC)C1=O 14183248 JSHQKDBHTGCPRV-NSHDSACASA-N 321.402 2.068 0 40 DEAB CN(CC(=O)N1CCC[C@@H](n2cccn2)C1)Cc1ccccc1 65623693 LDRNKNABUMMDDC-QGZVFWFLSA-N 312.417 2.179 0 40 DEAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3ccccc3c2=O)c1 14253713 LONVTAZOEXIRAB-OAHLLOKOSA-N 324.380 2.453 0 40 DEAB CCn1cc(CN2CCCN(C(=O)c3ccc(C)o3)CC2)cn1 69521286 GOLNZGGCVHNXOW-UHFFFAOYSA-N 316.405 2.153 0 40 DEAB CCOC(=O)CSCC(=O)N[C@@H]1CCCc2ccccc21 5413516 NVCIRRQHTLZWCE-CQSZACIVSA-N 307.415 2.477 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O 4677243 VYISQECWLMZEGB-RBMCBPMHSA-N 307.327 2.435 0 40 DEAB CC[C@@H](C)NC(=O)COC(=O)CCn1ccc2ccccc21 5689429 BVFPCFARTNQLKQ-CYBMUJFWSA-N 302.374 2.489 0 40 DEAB COc1cccc(C(=O)C2=NN(C(C)=O)C[C@H]2c2ccco2)c1 4815153 USQYEYZLEZPSME-AWEZNQCLSA-N 312.325 2.473 0 40 DEAB CC(C)OC(=O)CN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O 15514408 IDXKQSHEHRLUKR-JTQLQIEISA-N 324.764 2.449 0 40 DEAB C[C@@H](O)[C@@H]1CCN(C(=O)NCC2(c3c(F)cccc3F)CC2)C1 96011005 PIQVVMJUOCYABD-VXGBXAGGSA-N 324.371 2.409 0 40 DEAB NC(=O)CCN(C(=O)c1cc(F)cc(F)c1)c1ccccc1 9446439 LLSPEQSFGGTVKP-UHFFFAOYSA-N 304.296 2.487 0 40 DEAB Cc1cc(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)[nH]n1 96406367 DPQCCKKVUQRWAT-ZDUSSCGKSA-N 308.332 2.029 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)n1 71896757 WHKHKRNWDSQVFP-GFCCVEGCSA-N 310.361 2.485 0 40 DEAB COc1cccc(CC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1 71836581 QKAPEGSRBOSGSG-LLVKDONJSA-N 301.390 2.465 0 40 DEAB COC(=O)c1ccc(CN2CCC[C@H](c3ccnn3C)C2)o1 71808717 QJXXYDYHPOVQPV-LBPRGKRZSA-N 303.362 2.179 0 40 DEAB CC(C)Cc1cc(C(=O)NCc2n[nH]c(=S)n2C2CC2)[nH]n1 71889221 QGYLLFMSXOTZPW-UHFFFAOYSA-N 320.422 2.127 0 40 DEAB O=C(CCOc1cccc(F)c1)N1CCC[C@H](n2cncn2)C1 72234823 ILMNSIQWLQSLLM-AWEZNQCLSA-N 318.352 2.050 0 40 DEAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OC1CCCCC1 78495939 REMIBMHDUFTZMS-UHFFFAOYSA-N 303.362 2.058 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(-c2ncn(C)n2)c1 97096237 KMGIEQYUWGJHRQ-UHFFFAOYSA-N 311.349 2.466 0 40 DEAB C[C@@H]1SCCN(C(=O)c2ccc(N3CCCC3)nn2)[C@H]1C 97002209 NEKFOXGQNJNVKA-RYUDHWBXSA-N 306.435 2.043 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C(=O)O)C(C)(C)C)c1 95424677 PVNQEGJDHKYARO-RISCZKNCSA-N 321.373 2.272 0 40 DEAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1cc(C)ns1 95446595 BVCGFRHGYGLMEV-UHFFFAOYSA-N 317.414 2.481 0 40 DEAB CC[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1nc(C)n[nH]1 84979182 YZTMJAGNFWNLPC-GXSJLCMTSA-N 305.407 2.256 0 40 DEAB O=C(CCOc1ccccc1F)N1CC[C@](O)(C(F)(F)F)C1 73921471 CIZUEONZFLRWFN-CYBMUJFWSA-N 321.270 2.120 0 40 DEAB 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304.390 2.223 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N(C)CCOc2ccc(F)cc2)on1 22911817 NWXWCGBEZSESKC-GFCCVEGCSA-N 321.352 2.460 0 40 DEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCCCOC 46734983 TYUXLDCRTUXBFA-CQSZACIVSA-N 322.405 2.285 0 40 DEAB CCc1nn2c(=O)cc(CN3C[C@@H](C)C[C@H](C)C3)nc2s1 23698326 XUWDUTMKPCZGDX-QWRGUYRKSA-N 306.435 2.191 0 40 DEAB C/N=c1\ss/c(=N/C(=S)N(C)C)n1C1CCCCC1 104276950 ZNSGYXMNCUWTSE-HEEUSZRZSA-N 316.521 2.394 0 40 DEAB CCCCN(C(=O)c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 16689584 NCKWLFJNEJWQQO-HNNXBMFYSA-N 309.431 2.424 0 40 DEAB CCCn1c(SCC(=O)c2ccc3c(c2)CCC3)n[nH]c1=O 9056189 LBURYRBKVSQMON-UHFFFAOYSA-N 317.414 2.445 0 40 DEAB CCCN1CCCN([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 106798690 ZLVJYISCHKXPCB-YESZJQIVSA-N 309.498 2.297 0 40 DEAB O=C(NC[C@H]1CCCO1)c1ccn(-c2cccc(Cl)c2)n1 57395030 SEGXKPIWHSKGID-CYBMUJFWSA-N 305.765 2.435 0 40 DEAB Cc1c([C@H](C)NC(=O)c2cc3ccccc3oc2=O)cnn1C 47491472 HCGLZIPREVKOMD-JTQLQIEISA-N 311.341 2.326 0 40 DEAB O=C(C1CCCC1)N1CCN(Cc2cn3ccccc3n2)CC1 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315.329 2.113 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 75118924 DVMNGHTULBKLJZ-NSHDSACASA-N 316.357 2.192 0 40 DEAB O=C(Nc1ncccn1)C1CCN(C(=O)c2ccsc2)CC1 30774325 HZNCRKVXYOFIOA-UHFFFAOYSA-N 316.386 2.029 0 40 DEAB CCc1ccc2occ(C(=O)NC[C@H]3CCN(C(N)=O)C3)c2c1 514633745 LOLZNHSIYIGAAC-GFCCVEGCSA-N 315.373 2.126 0 40 DEAB Cc1ncccc1C(=O)N1CCC(O)(c2cccnc2F)CC1 72340020 UUHOGAGMTZXQBJ-UHFFFAOYSA-N 315.348 2.048 0 40 DEAB FC(F)(F)c1ccnc(NCCCOC[C@@H]2CCOC2)n1 77229631 AJBXZDKIFQOUJD-JTQLQIEISA-N 305.300 2.351 0 40 DEAB O=C(OCc1ccccc1)N(C1CC1)[C@H]1CCCN(CCO)C1 79411265 RVKFWGKRCHJUPE-KRWDZBQOSA-N 318.417 2.244 0 40 DEAB CN(C(=O)OCc1ccccc1)C1CCC(NCCO)CC1 79410993 LMYVDHBXAZTXRN-UHFFFAOYSA-N 306.406 2.148 0 40 DEAB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CCCO3)c2O1 32817698 IEUUXCXOJRITSH-CQSZACIVSA-N 305.374 2.074 0 40 DEAB O=C(NCc1ccc(F)cc1)NC[C@@]1(O)CCCc2occc21 1565522802 QYXXVTBLAYJGRN-KRWDZBQOSA-N 318.348 2.442 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](n3cc(C(=O)O)cn3)C2)oc1C 195551235 UGYWMZAJKAZLMR-ZDUSSCGKSA-N 317.345 2.268 0 40 DEAB CCS(=O)(=O)N(C)c1cccc(C(=O)N2CCCCC2)c1 225968187 HUWLJXGNHKIIHK-UHFFFAOYSA-N 310.419 2.099 0 40 DEAB CCCC[C@H](CC)CNC(=O)CCC(=O)NC[C@H]1CCCO1 199421094 OOXUUUMSBIHBHB-LSDHHAIUSA-N 312.454 2.394 0 40 DEAB CS[C@H](C)C(=O)NCC1(CN2CCOCC2)CCCCC1 81665963 HOXXILGLQYFZFW-CQSZACIVSA-N 314.495 2.137 0 40 DEAB O=C1Nc2ccccc2CC[C@@H]1N1CCC(n2ccnc2)CC1 192061854 QWVGBMUJGSGTGF-KRWDZBQOSA-N 310.401 2.474 0 40 DEAB C[S@](=O)c1ccc(NC(=O)Cn2ncc3ccccc32)cc1 80520895 IYULIMNHARJQMX-JOCHJYFZSA-N 313.382 2.412 0 40 DEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccccc2)o1 96115252 OPIPWMGGXYHKBJ-ZDUSSCGKSA-N 318.325 2.187 0 40 DEAB biogenic COCC(=O)N1CCC2(CC[C@@H]2N(C)Cc2ccco2)CC1 96051601 YYAGONOAKUADSA-HNNXBMFYSA-N 306.406 2.129 0 40 DEAB CCO[C@@H](C)c1noc(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)n1 96456318 RSMKCOFYRHXWJC-RWMBFGLXSA-N 322.409 2.499 0 40 DEAB CC(C)[C@H]1OCC[C@H]1C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 333760894 AKWZMVZCCUQGGV-YYIAUSFCSA-N 320.408 2.140 0 40 DEAB C[C@H](C1CC1)N(C(=O)C[S@@](=O)c1ccc(O)cc1)C1CC1 96452443 HGEFYKANKPCHNL-FIKIJFGZSA-N 307.415 2.289 0 40 DEAB CC(C)c1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[C@@H]1O 96420322 PUMMYBGNNRDTAV-CJNGLKHVSA-N 318.417 2.416 0 40 DEAB c1cnc(OC[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccco2)nc1 247924542 OVDXPQXHVQTEKD-NUEKZKHPSA-N 315.373 2.128 0 40 DEAB NNc1ccc2cc(-n3ncc(-c4ccccc4)n3)c(=O)oc2c1 255190510 XRCSBFABQQYAJW-UHFFFAOYSA-N 319.324 2.326 0 40 DEAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N1CCc2cccc(F)c2[C@H]1C 252585450 IPPQDVGGILOJER-SUNKGSAMSA-N 313.394 2.252 0 40 DEAB O=C(NCc1ccnc([C@H]2CCCOC2)n1)c1cccs1 257344942 ZZIBLNOPMCUCGT-NSHDSACASA-N 303.387 2.362 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257269754 MRFRUBQXNGEWPO-ZDUSSCGKSA-N 317.364 2.409 0 40 DEAB Cc1ccsc1CN1CCO[C@@H](c2nccnc2N(C)C)C1 257199827 AAYMEXGLRKYYKN-CYBMUJFWSA-N 318.446 2.486 0 40 DEAB Oc1cc(-c2cccnc2)nc([C@H]2CCN(c3ncccn3)C2)n1 257236915 HEHXQCZGZHDCJU-ZDUSSCGKSA-N 320.356 2.028 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)s1 257218817 DENFMERTMGESSS-UMVBOHGHSA-N 308.447 2.164 0 40 DEAB CCCOC1CCN(C(=O)c2ccc(-n3cccn3)nc2)CC1 257203043 AOJVJYVFXDSECR-UHFFFAOYSA-N 314.389 2.299 0 40 DEAB CN(Cc1nccs1)C(=O)[C@H]1CCO[C@@H]1c1cccnc1 276734226 FRZBCGRGMWDFCF-GXTWGEPZSA-N 303.387 2.274 0 40 DEAB c1cncc(CN2CC3(C2)OCC[C@@H]3COc2cccnc2)c1 585102596 BQBOGPISEZQSJA-MRXNPFEDSA-N 311.385 2.147 0 40 DEAB C[C@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nncn1C 68106482 ZHUOQMXBCPBGOC-VIFPVBQESA-N 317.780 2.370 0 40 DEAB CCC(CC)[C@@H](CCNC(=O)CCCNC(=O)C1CC1)OC 84727335 WEIPENYVFSXJGO-OAHLLOKOSA-N 312.454 2.250 0 40 DEAB Cc1nccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)n1 82314821 ADSMYQNGNQJTLV-UHFFFAOYSA-N 310.401 2.364 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N3CC[C@@H](O)C3(C)C)cnc21 566536252 CYRMNPQEOHJPIF-CYBMUJFWSA-N 317.393 2.389 0 40 DEAB c1csc(-c2ccc(N3CCN(c4ccncn4)CC3)nn2)c1 1155125298 UJSJMHRNUTUJKU-UHFFFAOYSA-N 324.413 2.322 0 40 DEAB COC(=O)c1cc(F)c(OC)c(I)c1 160778634 VVWIQIMCZHSZHS-UHFFFAOYSA-N 310.062 2.226 0 40 DEAB Cc1cc2nc([C@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 19129365 YTULZVIRZWXXJO-HNNXBMFYSA-N 322.416 2.395 0 40 DEAB CC(C)(C)c1ccc(OC[C@H]2CCN(C(=O)C3CC3)C2)nn1 1888842912 DWIDCBQQQUURHT-LBPRGKRZSA-N 303.406 2.411 0 40 DEAB Cn1cc(-c2ccc(CCNC(=O)C3CCOCC3)cc2)cn1 1889116462 QWLVMFDYAZDPNX-UHFFFAOYSA-N 313.401 2.172 0 40 DEAB C[C@@]12C[C@H](CN)N(C(=O)c3ccc(F)cc3)[C@@H]1CCCC[C@H]2O 2037844245 QTNIHZITLAMKEM-YFHUEUNASA-N 320.408 2.309 0 40 DEAB O=C(OCn1nnc2ccccc2c1=O)c1cc2ccccc2o1 428874 JKVBOQZNPRNINF-UHFFFAOYSA-N 321.292 2.352 0 40 DEAB Cn1c(Nc2cc(Cl)cc(Cl)c2)cc(=O)n(C)c1=O 20031462 VMOFASXGNJIGTI-UHFFFAOYSA-N 300.145 2.134 0 40 DEAB CCc1noc([C@@H](C)N2CCN(c3ccc(O)cc3)CC2)n1 40494357 PENFWKOHRURTNZ-GFCCVEGCSA-N 302.378 2.221 0 40 DEAB CCn1c(=O)c(C(=O)NCc2ccco2)c(O)c2ccccc21 100512590 BTBDDLGNOSAJPH-UHFFFAOYSA-N 312.325 2.250 0 40 DEAB Cc1csc2nc(CN(C[C@@H]3CCOC3)C3CC3)cc(=O)n12 40539364 HMMIOCRKHGQMQD-LBPRGKRZSA-N 319.430 2.065 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(C)C)CC1 45741929 CERNNEFPHNCYRW-UHFFFAOYSA-N 316.854 2.363 0 40 DEAB C[C@@H](NC(=O)CN1CCC(O)CC1)c1cc2ccccc2o1 36869735 YFEVXLLOTPAYKT-GFCCVEGCSA-N 302.374 2.067 0 40 DEAB COc1ccc(-c2nnc3n(C)c4ccccc4n3c2=O)cc1 1647486 SEPNRDBTTGHYTF-UHFFFAOYSA-N 306.325 2.257 0 40 DEAB CCCN[C@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 2107484 LMFXZSXLYLMGMQ-LLVKDONJSA-N 314.769 2.130 0 40 DEAB Cc1ccc(S(=O)(=O)c2c(Cl)sc(=O)n2C)cc1 2709084 GBUOYXHRUFTBMG-UHFFFAOYSA-N 303.792 2.241 0 40 DEAB Cc1ccc2nc(NS(=O)(=O)c3cnn(C)c3)sc2c1 2803907 JFWZUDHYVVTFMK-UHFFFAOYSA-N 308.388 2.139 0 40 DEAB O=C(NCCCCc1ccccc1)C(=O)NCc1ccccc1 3057470 PUWUGNURPSQBPW-UHFFFAOYSA-N 310.397 2.442 0 40 DEAB COCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 4341928 DYXSWBDDFWBXQF-UHFFFAOYSA-N 307.350 2.343 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 46070300 JJUZCBMEBZSXBO-GXTWGEPZSA-N 320.389 2.075 0 40 DEAB Cc1ccc(-n2nc(CO)c(C(=O)NC3CCCC3)n2)cc1C 21149150 ZMHFURXEHPNFQS-UHFFFAOYSA-N 314.389 2.049 0 40 DEAB COc1cccc(-c2nc(/C=C3/NC(=S)NC3=O)cs2)c1 105417118 KAWFHOVQNQHVLX-IZZDOVSWSA-N 317.395 2.164 0 40 DEAB COC(=O)C1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 10542204 KEIPTMPGTVTBAI-ZDUSSCGKSA-N 305.374 2.174 0 40 DEAB Cc1cc2nnc(SCc3ccc(C(N)=O)cc3)n2c(C)n1 32922530 MTJIZRNUEULWHK-UHFFFAOYSA-N 313.386 2.132 0 40 DEAB Cc1ccc(CN2CCOC[C@]3(CC[C@@H](CN(C)C)O3)C2)s1 107739486 NHHCRIJOALYMQZ-RDJZCZTQSA-N 324.490 2.368 0 40 DEAB CC(=O)Nc1ccc(CNC[C@H]2CN(CC(C)C)CCO2)cc1 22025347 QXBTWVWXUCAWPR-SFHVURJKSA-N 319.449 2.091 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O)cc1 101518756 NUTITIYKYJGJGB-DRABBMOASA-N 316.357 2.330 0 40 DEAB CN1C[C@@H](C(=O)NCc2ccccc2OC2CCCC2)CC1=O 46783019 RDKJFXNZULCDHJ-AWEZNQCLSA-N 316.401 2.103 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1nncs1 43130313 OXGYUAJSHSVQMP-JTQLQIEISA-N 307.379 2.090 0 40 DEAB Cc1onc(C(N)=O)c1C(=O)Nc1cccc(C(F)(F)F)c1 1391542 XGJJIHWNRKPGHZ-UHFFFAOYSA-N 313.235 2.353 0 40 DEAB C[C@@H](O)[C@H]1CCCCN1Cc1csc(-c2ncccn2)n1 69741146 QPLNPOXIYFLZPZ-DGCLKSJQSA-N 304.419 2.335 0 40 DEAB Cc1cc(CN2CCN(C(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)no1 106552937 AJGMPOPIWCURKC-HRCADAONSA-N 317.433 2.454 0 40 DEAB OC[C@@H]1CCCN1c1cc(N2CCc3ccccc3C2)ncn1 106773512 AXUBZCWSRVUUKI-INIZCTEOSA-N 310.401 2.000 0 40 DEAB CN(C)C(=O)c1nnsc1[S@](=O)c1ccc(Cl)cc1 1401276 DMSQSFDCHIUKQW-IBGZPJMESA-N 315.807 2.060 0 40 DEAB CCC[C@@H]1NC(=O)N(Cc2cn3cc(Cl)ccc3n2)C1=O 12531488 FYTGRJPDXGYZMQ-NSHDSACASA-N 306.753 2.208 0 40 DEAB C[C@@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccccn1 25406113 QETOHUHOWPEVMY-CYBMUJFWSA-N 318.421 2.281 0 40 DEAB CC(=O)c1ccccc1NC(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1 26462092 DTOKFLVGQDFLSP-FRRDWIJNSA-N 304.390 2.325 0 40 DEAB CC(C)COCCC(=O)NCc1ccccc1N1CCOCC1 58278038 ZITBTAZVUGOJPP-UHFFFAOYSA-N 320.433 2.202 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 44907713 BAGMLQKIJFTRLI-UHFFFAOYSA-N 321.354 2.331 0 40 DEAB COc1ccc(OC)c(CN(Cc2nnc(C)n2C)C2CC2)c1 44945270 DDCKUJPPHJYMJS-UHFFFAOYSA-N 316.405 2.305 0 40 DEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 62119896 IZKBDEXRBDRFOM-ZETCQYMHSA-N 324.185 2.089 0 40 DEAB c1ccc(COC2CCN(c3ccc4nncn4n3)CC2)cc1 48346004 AEHYUPCUSRFJDX-UHFFFAOYSA-N 309.373 2.310 0 40 DEAB COc1ccccc1NC(=O)CCCNC(=O)c1ccco1 12803283 QUACJPZOCSUODI-UHFFFAOYSA-N 302.330 2.437 0 40 DEAB Cc1noc([C@H](NS(=O)(=O)c2cccs2)C(C)C)n1 69814488 HQLNCSRHXOWFRZ-SNVBAGLBSA-N 301.393 2.115 0 40 DEAB CN(C)C[C@@H]1CN(Cc2cc(F)cc3cccnc23)CCO1 70016818 UHDHXEXUSSBSEE-MRXNPFEDSA-N 303.381 2.136 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccco2)c1 6046685 ONPUMDCKNODZRH-CMDGGOBGSA-N 320.370 2.182 0 40 DEAB Cc1sc2ncn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c2c1C 6110836 ASVDTZAFQOXIAE-SNVBAGLBSA-N 319.430 2.333 0 40 DEAB Cc1ccc(-n2cc(C(=S)N3C[C@H](C)O[C@H](C)C3)nn2)cc1 18069440 HAECBQVCHOQTSG-BETUJISGSA-N 316.430 2.360 0 40 DEAB COc1ccc2cc(C(=O)N3CCCC[C@H]3CC(N)=O)[nH]c2c1 65490363 ROXBAZMXPJJRRW-LBPRGKRZSA-N 315.373 2.047 0 40 DEAB Cc1ccc([C@H](CNCc2c(C)n[nH]c2C)N2CCOCC2)o1 65512394 VEZOWKWABHZBNR-INIZCTEOSA-N 318.421 2.091 0 40 DEAB Cc1nnc2n1CCN(Cc1cc(-c3cccs3)on1)C2 69490325 XGVDJTAQQYXHHF-UHFFFAOYSA-N 301.375 2.319 0 40 DEAB C[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccccc2)C1=O 6758746 KLALBVRANMPXKC-LBPRGKRZSA-N 309.321 2.319 0 40 DEAB Oc1ccccc1N1CCN(Cc2cn3ccccc3n2)CC1 7285465 VLVKSGVTNHSPKS-UHFFFAOYSA-N 308.385 2.362 0 40 DEAB O=C(COC(=O)Cc1cccc(F)c1)NCc1ccccc1 7492395 SDWNXXDVUPHBNQ-UHFFFAOYSA-N 301.317 2.228 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccc(F)c1 69563144 GSDQIZXLPXEZFF-UXLLHSPISA-N 324.355 2.372 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)nc(N)n1 69532329 DCYRTJLOIMTRGU-CYBMUJFWSA-N 312.373 2.480 0 40 DEAB CCN(CC)CCCNCC(=O)N1c2ccccc2C[C@@H]1C 26439602 JOGNSCZOMUNULM-HNNXBMFYSA-N 303.450 2.286 0 40 DEAB Cc1ccc(C)c([C@@H](O)CN2CCC[C@H](C(=O)NC3CC3)C2)c1 75681183 YOXAJKJZYWDSNX-YJBOKZPZSA-N 316.445 2.327 0 40 DEAB Cc1ncc(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)s1 76085987 IZMQGIRTLMEBBT-VIFPVBQESA-N 321.450 2.232 0 40 DEAB Cc1ccc2c(c1)C(=O)N(C)[C@@]1(N2)C(=O)N(C)c2ccccc21 97002744 SRGGCWNIHRGRFO-GOSISDBHSA-N 307.353 2.322 0 40 DEAB CC(C)Cc1cc(C(=O)N(C)[C@H]2CCN(C)[C@@H](C)C2)cc(=O)[nH]1 97045175 BKTHABGTNZLDKY-BBRMVZONSA-N 319.449 2.128 0 40 DEAB CCN(C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1)C(C)C 97141759 XFJAHEQRUYDHSU-ZDUSSCGKSA-N 308.378 2.404 0 40 DEAB CS(=O)(=O)N1CCCC[C@H]1CCc1ccnc(Cl)c1 72343943 IRLLCLQGEFVVES-LBPRGKRZSA-N 302.827 2.482 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccc(Cl)nn2)C1 95083295 FFCVDGDOUZEKSQ-LLVKDONJSA-N 312.801 2.229 0 40 DEAB CCCCOc1cccc(CNC(=O)[C@H]2COCCN2CC)c1 95453111 ODGJYYNYRHLTLJ-QGZVFWFLSA-N 320.433 2.202 0 40 DEAB CN(C)CCN1CCCN(c2ccnc3ccsc23)CC1 95403192 QJSNQTMAAUGWHN-UHFFFAOYSA-N 304.463 2.370 0 40 DEAB c1ccc(-c2cc(N3CC[C@@]4(CCOC4)C3)n3ncnc3n2)cc1 95410715 MZPQLCSQGKDDHI-GOSISDBHSA-N 321.384 2.408 0 40 DEAB COc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@@H](C)O[C@H](C)C1 95984487 VKWZXLRBBOVCMH-UPJWGTAASA-N 324.396 2.121 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)[nH]n1 79621508 MSRIJNZXMYVNHJ-NSHDSACASA-N 311.345 2.183 0 40 DEAB O=C(Nc1cccc(C(=O)OC[C@@H]2CCCN2)c1)c1ccoc1 95971584 CPBHOFZQUJRREN-HNNXBMFYSA-N 314.341 2.441 0 40 DEAB NC(=O)[C@@H](NC(=O)c1cccc2ncccc12)c1ccc(F)cc1 95944640 KMELANSEEUSKGX-INIZCTEOSA-N 323.327 2.330 0 40 DEAB C[C@@H](C(=O)NCC(F)(F)F)N(C)CCc1ccc(F)cc1 89478459 KJVLZLGKGVVQGR-JTQLQIEISA-N 306.303 2.367 0 40 DEAB O=C(c1c[nH]c2ccccc12)N1CCCN(C(=O)C2CC2)CC1 75032934 RMVPNKREQBTAPK-UHFFFAOYSA-N 311.385 2.252 0 40 DEAB CN(C(=O)Nc1cccs1)[C@@H]1CCC[C@@H]1S(C)(=O)=O 75109257 YDXNNPZVZLIUOT-ZJUUUORDSA-N 302.421 2.178 0 40 DEAB Cc1cc(C(=O)N[C@H](C)Cn2ccc(C)n2)c2c(C)noc2n1 36613662 VKZUFUYYLZSDLX-LLVKDONJSA-N 313.361 2.163 0 40 DEAB COc1ccc(Nc2nc3c(C)nn(C)c3c(=O)n2C)c(C)c1 32651483 VBYSXOQBCGLZAY-UHFFFAOYSA-N 313.361 2.036 0 40 DEAB CCOC1=C(C)C(=O)NC(=S)N[C@@H]1c1ccc(OC)cc1 34132657 IUVMRFHVRFWZBC-GFCCVEGCSA-N 306.387 2.051 0 40 DEAB CC[C@H](C)NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1322710 LJYAPZCCTUOXCS-JTQLQIEISA-N 300.358 2.182 0 40 DEAB biogenic CN(C(=O)N(C)C1CCOCC1)c1cccc(CCC(=O)O)c1 549020248 NKNNPFJBYJYBOJ-UHFFFAOYSA-N 320.389 2.371 0 40 DEAB O=C(O)c1c(Br)c(O)cc(O)c1Br 3844115 OPXCQMDSRYNBRW-UHFFFAOYSA-N 311.913 2.321 0 40 DEAB biogenic COc1ccc([C@H](C)NC(=O)N(C)CC2(CO)CC2)cc1F 186844404 DDVHSJLNGFHEJW-NSHDSACASA-N 310.369 2.309 0 40 DEAB CN(C)[C@@H](CNC(=O)NCCOc1ccccc1)c1ccco1 54037875 WFTXMITXHJBFHD-HNNXBMFYSA-N 317.389 2.261 0 40 DEAB O=C(OC[C@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 78446351 ZIXMFIOCXWBJHP-KGLIPLIRSA-N 308.399 2.084 0 40 DEAB O=C(O)c1cccc(CN2CCC[C@H]2Cn2ccnn2)c1Cl 563966798 MVCMHKNHKMDZKV-LBPRGKRZSA-N 320.780 2.294 0 40 DEAB O=C(NCC1(O)CCOCC1)[C@@H]1C[C@H]1c1ccccc1Cl 75229373 ZFHMETMYHRZYDM-QWHCGFSZSA-N 309.793 2.101 0 40 DEAB CC(C)(C)[C@@H](O)CNC(=O)C(=O)Nc1cccc2c1CCCC2 79029097 SZYFZPNWVPDOKI-HNNXBMFYSA-N 318.417 2.027 0 40 DEAB O=C(CN(C[C@H]1CCCO1)C1CCCC1)NCc1cccnc1 75830926 YDPQKVKSFYCCNU-QGZVFWFLSA-N 317.433 2.121 0 40 DEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC[C@H]2CCCO2)C1=O 189168047 XPRFCUHGGHGMLJ-CRAIPNDOSA-N 316.401 2.499 0 40 DEAB Cc1nc(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)sc1C 72239556 MJPUDBZEPLVTBJ-GFCCVEGCSA-N 319.386 2.483 0 40 DEAB NC(=O)CCCOC(=O)c1ccc(Br)cc1F 83772113 LKSCBPMYUQGRDY-UHFFFAOYSA-N 304.115 2.011 0 40 DEAB O=C(O)C[C@H](NC(=S)Nc1ncccn1)c1ccc(F)cc1 225216849 YXTYLDNDOFDRFK-NSHDSACASA-N 320.349 2.118 0 40 DEAB COCCNC(=S)Nc1ncc(Cl)cc1Br 223883915 HNSJLOWGYVDDJG-UHFFFAOYSA-N 324.631 2.430 0 40 DEAB Cc1cnc(CNS(=O)(=O)c2c(C)n(C)c3ccccc23)o1 225448813 IAALTGALWALHQQ-UHFFFAOYSA-N 319.386 2.262 0 40 DEAB O=[S@@](Cc1ccc(-n2cccn2)cc1)c1n[nH]c(C2CC2)n1 195562652 UHVOSJPTXKFVFT-QFIPXVFZSA-N 313.386 2.176 0 40 DEAB O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3ccncc3)CC2)N1 96087451 NQAOKVTUIZAPPF-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB CC(C)c1nccn1Cc1ccc(S(=O)(=O)N(C)C)cc1 97236128 CMSZCCKGJCJROT-UHFFFAOYSA-N 307.419 2.305 0 40 DEAB c1nc(N2CCC[C@@H](N3CCCCCC3)C2)c2cn[nH]c2n1 96404813 IBRCJOBWFORTNE-CYBMUJFWSA-N 300.410 2.198 0 40 DEAB COc1ccc(-c2noc(C3(O)Cc4ccccc4C3)n2)cn1 97103465 RDLARDRWDLUXFJ-UHFFFAOYSA-N 309.325 2.127 0 40 DEAB CC(=O)N1CCC2(CCOC[C@@H]2COc2ccccn2)CC1 96207244 SZWHCNJCXQZIKN-OAHLLOKOSA-N 304.390 2.126 0 40 DEAB CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccn(C)n1 96413496 NZLQPXSGVCGZNJ-STQMWFEESA-N 306.410 2.080 0 40 DEAB Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2ncc(C3CC3)o2)n1 580105420 XQXLWECIXGDLPU-OTYXRUKQSA-N 304.350 2.205 0 40 DEAB O=C1CCC(CN2CCN(C(=O)NC3CCCCC3)CC2)CC1 333662015 HCWZUSKQHBEJGP-UHFFFAOYSA-N 321.465 2.406 0 40 DEAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2nccs2)nc1 96058040 BXJLUXSEXSQQMC-WOSRLPQWSA-N 317.414 2.349 0 40 DEAB c1ccc(CN2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)nc1 97953760 JSLJOEFDMGOOJA-XYJFISCASA-N 311.385 2.287 0 40 DEAB CC(=O)N1CCN(C(=O)c2ncccc2C)C[C@H]1c1ccccc1 257214244 CLFDTLADQQSXSU-KRWDZBQOSA-N 323.396 2.436 0 40 DEAB CCc1nccn1CCC(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257210852 BWKGNBFJNUHKCV-CQSZACIVSA-N 315.421 2.040 0 40 DEAB O=C(O)c1nn(-c2ccc(F)cc2)nc1N1CCCCCC1 256048743 VVZIWCAYEIRJOU-UHFFFAOYSA-N 304.325 2.485 0 40 DEAB CNC(=O)C1CN(Cc2ccc(-c3ccccc3C(=O)O)cc2)C1 257241094 HWOPKCOQAXPFOO-UHFFFAOYSA-N 324.380 2.230 0 40 DEAB Cc1nc2ccc(C(=O)N3CC[C@H]4NCCCC[C@H]4C3)cc2[nH]1 257215762 CRNVVGNADQEMPK-LSDHHAIUSA-N 312.417 2.476 0 40 DEAB CCn1nccc1-c1cnc(C[C@@H]2CCCN(C(C)=O)C2)cn1 257255686 KIMBAGWFUCYXJP-AWEZNQCLSA-N 313.405 2.161 0 40 DEAB Cc1ccc(C(=O)N2CCC(n3cc(C(=O)O)cn3)CC2)s1 263235408 SOGZMSOIJNHFKE-UHFFFAOYSA-N 319.386 2.429 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575404553 NMYGNZZXYKAYAP-CYBMUJFWSA-N 320.364 2.160 0 40 DEAB O=C(COc1ccccc1Cl)N1CC[C@@]2(CCCO2)C(=O)C1 585288686 HNEDPBTVMILECD-INIZCTEOSA-N 323.776 2.069 0 40 DEAB O=C(CCOc1ccc(Cl)cc1)NCCNc1cnccn1 56497764 SBQALSOLPOMXDK-UHFFFAOYSA-N 320.780 2.127 0 40 DEAB Cc1nc(N2CCC(OCC(C)C)CC2)c2cnn(C)c2n1 54124259 XSLPUMIVQJYMAB-UHFFFAOYSA-N 303.410 2.313 0 40 DEAB C[C@@H](NC(=O)NCc1cccnc1)c1ccc(NC(N)=O)cc1 69040130 RCQPFRHKMUBTQK-LLVKDONJSA-N 313.361 2.133 0 40 DEAB CCOCCO[C@@H](C)C(=O)N[C@]1(C)CCc2ccccc2C1 72296734 KUSGJMCGXYDPPL-KBXCAEBGSA-N 305.418 2.492 0 40 DEAB C[C@H](CCc1cccn1C)NC(=O)N1CC[C@H](N2CCCC2)C1 74745482 OZTZLDJOKNJIJC-WBVHZDCISA-N 318.465 2.226 0 40 DEAB O=C(Nc1cccnn1)C1(Cc2ccc(F)cc2)CCOCC1 575603620 XOYOEQICMGLNSK-UHFFFAOYSA-N 315.348 2.594 0 40 DEAB CC1(C)Cc2nc(-c3cnccn3)ncc2[C@H](NC(=O)C2CC2)C1 12238798 RFCVDYMGADVQKJ-CQSZACIVSA-N 323.400 2.473 0 40 DEAB O=C(NCCc1nc(-c2cccnc2)n[nH]1)NC1CCCCC1 13565322 XDCXCTBXIMSTBN-UHFFFAOYSA-N 314.393 2.041 0 40 DEAB COc1ccc2[nH]cc(NC(=O)NCc3ccco3)c(=O)c2c1 13565901 KVWXECXXZDCZHZ-UHFFFAOYSA-N 313.313 2.451 0 40 DEAB Cc1csc2nc(COC(=O)Cc3ccccc3)cc(=O)n12 15734140 PNMGCBIMGDIPGM-UHFFFAOYSA-N 314.366 2.350 0 40 DEAB CCCc1ncc(CN2CCCC[C@@H]2CCNC(C)=O)cn1 19745844 KZWTXKSFQSYVBV-MRXNPFEDSA-N 304.438 2.310 0 40 DEAB O=C(NCCC(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 8708153 VQMPLYGUBFEWSC-UHFFFAOYSA-N 314.307 2.448 0 40 DEAB COCc1cncc2c1CCN(C(=O)CC1(OC)CCC1)C2 1565547126 NRMJOGIEHNTAMF-UHFFFAOYSA-N 304.390 2.072 0 40 DEAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1=NCCN1 547049 FPNKJRLLMYGZHL-UHFFFAOYSA-N 320.805 2.328 0 40 DEAB Cc1ccnc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 4272562 UDEQYHBBULHTPL-CYBMUJFWSA-N 310.357 2.317 0 40 DEAB CCOC(=O)c1ccc(Nc2ncnc3c2nnn3CC)cc1 5250560 FJYNDASJENJHSP-UHFFFAOYSA-N 312.333 2.162 0 40 DEAB O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)N1CCCC1 15862182 YVYGYJHPQLQIQZ-UHFFFAOYSA-N 313.762 2.231 0 40 DEAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1cc(C2CC2)on1 85560158 JMYGGTVXWZAHMQ-SFHVURJKSA-N 312.369 2.202 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC(F)F)cc1 67451 HEMNZTJLDHUOCU-LLVKDONJSA-N 312.272 2.089 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCC(O)CC1 45569521 SVIMHCPSBJLORX-JTQLQIEISA-N 316.323 2.489 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc(N2CCCCC2)cc1 7738189 OLGGEZMFYQEPJC-CYBMUJFWSA-N 318.421 2.323 0 40 DEAB CC1=NN(C(=O)Cc2ccc(C)cc2)[C@@](O)(C(F)(F)F)C1 1092526 RAMYIURNDLOTCQ-ZDUSSCGKSA-N 300.280 2.397 0 40 DEAB O=C(O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 4651308 OLZRUUNVPMTXAG-OWYFMNJBSA-N 315.369 2.058 0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)c2cc(F)cc(F)c2)C1 32268110 ANXYPIKYGSZGIP-OAHLLOKOSA-N 312.360 2.051 0 40 DEAB CC(=O)N[C@@H](CC(=O)NCCc1ccccn1)c1cccs1 32657275 QEBDMRDVZWZIHU-AWEZNQCLSA-N 317.414 2.069 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cn12 69668809 VCRAWAVVRJJVKA-HNNXBMFYSA-N 309.373 2.354 0 40 DEAB Cn1ncc2c(N[C@@H]3CCCN(Cc4ccccc4)C3)ncnc21 32923559 PVAGTXUNLCUPRF-OAHLLOKOSA-N 322.416 2.440 0 40 DEAB COc1cc(C(=S)NC[C@H]2CCCO2)cc(OC)c1OC 9188269 ZTUKLVUSHICFKC-LLVKDONJSA-N 311.403 2.157 0 40 DEAB O=C(CCc1nc2ccccc2[nH]c1=O)NC[C@H]1C[C@H]2C=C[C@H]1C2 101729840 LENMPHYSMROVMX-MELADBBJSA-N 323.396 2.184 0 40 DEAB C[C@@H](NC(=O)c1cc(C2CC2)[nH]n1)c1nnc2n1CCCCC2 29892467 BQRGVLZKJADPJY-SNVBAGLBSA-N 314.393 2.096 0 40 DEAB CC(C)CO[C@@H](C)C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 42396924 SZHSGTCJHPEFLE-NEPJUHHUSA-N 320.389 2.256 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cn(C)c2ccccc12 24726032 VTCJUCCBVHWCOZ-CQSZACIVSA-N 302.374 2.496 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H](C)OC[C@H]1C 55259315 VECDGTXTAGUJML-NXEZZACHSA-N 318.402 2.158 0 40 DEAB Cc1ccoc1C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 25229078 SFXRUEFIROQKCC-UHFFFAOYSA-N 316.332 2.325 0 40 DEAB NC(=O)c1cccc(CNC(=O)c2cccc(OC(F)F)c2)c1 25333098 YSILUGXKWLAVMX-UHFFFAOYSA-N 320.295 2.317 0 40 DEAB S=c1n(CN2CCOCC2)nc(-c2ccncc2)n1C1CC1 24002884 HLNCOHOOOIECSA-UHFFFAOYSA-N 317.418 2.101 0 40 DEAB Cc1ccc(NC(=O)NCCCn2ncccc2=O)cc1C 23137431 UPPMDUCAHWKLAS-UHFFFAOYSA-N 300.362 2.072 0 40 DEAB CC[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 57860516 QGYJMCCLTBUCAI-SJORKVTESA-N 302.418 2.461 0 40 DEAB C[C@H](NC(=O)NCCCN1CCCCCC1=O)c1ccco1 44891313 XUJYEPWIBJUQEO-ZDUSSCGKSA-N 307.394 2.433 0 40 DEAB C[C@H](C(=O)NCc1cccs1)N1CCC(c2cc[nH]n2)CC1 58208881 FKQBMAAERAKQGL-GFCCVEGCSA-N 318.446 2.356 0 40 DEAB COc1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 36293978 NETKBKJMCXJOKP-UHFFFAOYSA-N 307.327 2.194 0 40 DEAB Cc1cc(CN(C)C(=O)[C@@H]2Oc3ccccc3O[C@H]2C)no1 48253513 VRNHKKVMAUXKQO-XHDPSFHLSA-N 302.330 2.170 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)c1nn(-c2ccccc2)nc1C 48262889 KGYUSPJUJLKTDI-CQSZACIVSA-N 314.389 2.074 0 40 DEAB CN(C)C(=O)Nc1cc2c(cc1Br)OCCO2 48332808 IILSTELZJLMCND-UHFFFAOYSA-N 301.140 2.314 0 40 DEAB CCN(C)CCNC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 70040155 VGOSCLSAVDUVEF-MRXNPFEDSA-N 321.421 2.318 0 40 DEAB COCCCN1CCC(NC(=O)/C=C/c2ccsc2)CC1 69417503 VURUPLJIGYVTHW-ONEGZZNKSA-N 308.447 2.378 0 40 DEAB CC(C)(C)C(=O)NCCC(=O)NCCCOc1ccc(F)cc1 63681138 RTHIBNMRWUPIOJ-UHFFFAOYSA-N 324.396 2.263 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c2ccccc2n1 69489614 QVJOMEOMWFPJTH-CHWSQXEVSA-N 311.385 2.269 0 40 DEAB CC(C)Cn1nccc1NC(=O)[C@@H]1COc2ccccc2O1 69557699 UERXAJCARIVTNH-AWEZNQCLSA-N 301.346 2.318 0 40 DEAB CC(=O)N(C)Cc1cccc(NC(=O)N(C)C[C@H]2CCCO2)c1 69571231 UGGZRLWNZKFKJG-MRXNPFEDSA-N 319.405 2.308 0 40 DEAB C[C@H]1CN(C(=O)NC[C@@H]2COc3ccccc3O2)CC(C)(C)O1 65278859 CMPUFYDJKGWZIK-QWHCGFSZSA-N 320.389 2.035 0 40 DEAB Cc1ccc(NC(=O)Cn2nc(-c3ccco3)oc2=O)c(C)c1 14019083 SCSOSPZSNRGXME-UHFFFAOYSA-N 313.313 2.352 0 40 DEAB COc1cccc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)c1 6434914 SXIKWNTZGYUURK-CMDGGOBGSA-N 323.396 2.452 0 40 DEAB CC(=O)NCCCCCC(=O)OCC(=O)c1ccc(F)cc1 4547542 UQIMCUSEZWTCFU-UHFFFAOYSA-N 309.337 2.248 0 40 DEAB CCN(CC(=O)NCc1cccs1)C(=O)c1c(C)noc1C 6589721 WQECPWASDGEIAX-UHFFFAOYSA-N 321.402 2.131 0 40 DEAB O=C1NCCCC[C@H]1Nc1nc(-c2ccncc2)nc2c1CCC2 66810240 NRQSMQNYRMQVGR-OAHLLOKOSA-N 323.400 2.108 0 40 DEAB CCCOc1cccc([C@H]2NC(=S)NC(C)=C2C(=O)OC)c1 5978854 GLUMGULRRZTZID-CQSZACIVSA-N 320.414 2.441 0 40 DEAB Cc1cc2c(NC3CCN(CCN(C)C)CC3)ncnc2s1 90070662 ZSXHWXGIJNPMQT-UHFFFAOYSA-N 319.478 2.438 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)N2Cc3ccccc3C2)cc1 71897796 SXUVYGPMEFBADA-UHFFFAOYSA-N 323.396 2.450 0 40 DEAB CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cc(C)sc1C 76038422 POLAZXYQYSHICE-JTQLQIEISA-N 318.464 2.160 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](C)Cc1c(C)noc1C)C2 72292190 FJTBXUPUTYBKDW-IINYFYTJSA-N 316.405 2.106 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)no1 72242238 RUCOBUXCMGOYQP-IUODEOHRSA-N 317.320 2.280 0 40 DEAB O=C(C[C@H]1CCCN1C(=O)N1CCOCC1)c1ccccc1 97052433 YWHJKASCHGCLMO-OAHLLOKOSA-N 302.374 2.176 0 40 DEAB NC(=O)N1CC[C@H](NC(=O)c2ccc(-c3cccs3)s2)C1 97084859 WLUOAPHXUYYQDB-VIFPVBQESA-N 321.427 2.359 0 40 DEAB Cc1nn(C)cc1CCC(=O)Nc1cc(C(=O)O)ccc1F 97036145 PJVWFBZQSGDHSI-UHFFFAOYSA-N 305.309 2.137 0 40 DEAB COc1ccc(S(=O)(=O)Nc2[nH]nc(C)c2C)c(C)c1F 97083734 SJUFWMCHUKVODD-UHFFFAOYSA-N 313.354 2.283 0 40 DEAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n1 78889655 RBUDTTPPAKXZIV-LLVKDONJSA-N 323.784 2.123 0 40 DEAB O=C(N[C@H]1CCN(C2CCCC2)C1)N1CCC2(CCOCC2)C1 78942299 DIRGEDYTQPXLJS-HNNXBMFYSA-N 321.465 2.215 0 40 DEAB O=C(C1CCOCC1)N(CCc1ccccc1)[C@H]1CCOC1 84528701 YAPSWSPLHJSQAC-KRWDZBQOSA-N 303.402 2.273 0 40 DEAB CC[C@H]1CCCN(C(C)(C)CNC(=O)c2c[nH]c(=O)cc2C)C1 84735494 ASFSSAURDCPYOG-AWEZNQCLSA-N 319.449 2.314 0 40 DEAB CN(C)c1cc(C(F)(F)F)nc(N(C)CC(C)(C)CCO)n1 95453330 CTBPYOKESYUAGW-UHFFFAOYSA-N 320.359 2.406 0 40 DEAB CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC(F)(F)F)C1CC1 95430390 SJDQTICFQNMBLJ-GFCCVEGCSA-N 310.316 2.358 0 40 DEAB Cn1cc(CCC(=O)Nc2ccc(C(N)=O)nc2)c2ccccc21 95441802 PFVFMDCYBMAYSO-UHFFFAOYSA-N 322.368 2.244 0 40 DEAB C[C@H](NC(=O)Cc1cccc(O)c1)c1ccc(-n2ccnn2)cc1 95440917 YGMMOTJTIVQXFD-ZDUSSCGKSA-N 322.368 2.393 0 40 DEAB C[C@@H](CN1C(=O)N[C@@H](CC(F)F)C1=O)Oc1ccccc1F 95992594 SLAUPOPZMORLPC-WPRPVWTQSA-N 316.279 2.169 0 40 DEAB CC[C@@H](C)Oc1cc(C(=O)N2CCc3[nH]ncc3C2)ccn1 95991755 MNWICVRYUANWSQ-LLVKDONJSA-N 300.362 2.181 0 40 DEAB COCCSCC(=O)Nc1ccnc(OCC(F)(F)F)c1 95989038 IPPFBKBRGZSINM-UHFFFAOYSA-N 324.324 2.341 0 40 DEAB Cc1ncsc1C(=O)N1CC[C@H](C(N)=O)c2ccccc21 89467433 FQIZKVMEZBVPRC-NSHDSACASA-N 301.371 2.071 0 40 DEAB CC(C)CC[C@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1 75093775 QFBLGZRZKBNQNX-ZDUSSCGKSA-N 306.406 2.495 0 40 DEAB Cc1nc2c(n1CCO)CC[C@H](NC(=O)CC1CCCCC1)C2 552147604 PKWMPFHVWDHVGQ-HNNXBMFYSA-N 319.449 2.128 0 40 DEAB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2ccc(Cl)cc2)n1O 524734139 AQRGQVUJBDKPCC-ZDUSSCGKSA-O 309.773 2.427 0 40 DEAB c1ccc(-c2csc(CCNc3ccc4nnnn4n3)n2)cc1 524732798 ONIVBUNZCKPOGB-UHFFFAOYSA-N 323.385 2.297 0 40 DEAB COc1ccc(OC)c2c1cc(C(=O)Nc1nncs1)n2C 72402327 VDXBYNSXPHTIQH-UHFFFAOYSA-N 318.358 2.299 0 40 DEAB c1ccc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)nc1 72322036 CUUDWXYIFXFHIJ-KRWDZBQOSA-N 321.384 2.440 0 40 DEAB biogenic,in-vitro Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1 32400756 ILEVTDPZKVRDBH-UWVGGRQHSA-N 303.811 2.446 0 40 DEAB CC(C)CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241438 MIBPSBHZYFONKA-CABCVRRESA-N 324.808 2.011 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)o1 79586760 LINVAFXJDNZGQI-UHFFFAOYSA-N 313.313 2.263 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71196020 OPXINUQLPPTTNZ-SNVBAGLBSA-N 310.419 2.302 0 40 DEAB CNc1nc2c(s1)[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 61720745 FPMUNUWTWFLDEQ-QMMMGPOBSA-N 303.343 2.388 0 40 DEAB CCN(C[C@H]1CCCCN1Cc1ccccc1)C(=O)[C@H](C)N 79404473 GICXNEJWZRLKES-DOTOQJQBSA-N 303.450 2.237 0 40 DEAB Oc1nc(-c2cccnc2)nc2c1CN(Cc1ccncc1)CC2 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CCNODMPJZPUGTJ-UHFFFAOYSA-N 303.431 2.171 0 40 DEAB O=C1O[C@@H](C(=O)NCc2ccco2)Cc2ccc(Cl)cc21 9970570 GPOBXIZPGZFYAS-CYBMUJFWSA-N 305.717 2.331 0 40 DEAB COc1cc2nc(NC(=O)c3ccnn3C)sc2cc1OC 11695085 VYRSKDKVBNULTO-UHFFFAOYSA-N 318.358 2.299 0 40 DEAB O=C(Nc1ccccc1-c1cn2c(n1)CCCC2)c1nc[nH]n1 575618572 DGCUDWKHGCVJEY-UHFFFAOYSA-N 308.345 2.257 0 40 DEAB Cc1ccc(OCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 3075266 UTGNOVQBXRWDFM-LSDHHAIUSA-N 303.358 2.157 0 40 DEAB O=c1c2ccsc2ncn1C[C@@H](O)COc1ccc(F)cc1 40490282 UAQHHKJXDMOWJR-LLVKDONJSA-N 320.345 2.037 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)NCCCn2cccn2)on1 45714260 BGNSIRUYXKSBLF-CYBMUJFWSA-N 303.366 2.116 0 40 DEAB COc1cc(NCCCCCNC(=N)N)c2ncccc2c1 1687520 OJKBBXSHHJQPJI-UHFFFAOYSA-N 301.394 2.309 0 40 DEAB COc1cccc(C(=O)O)c1OS(=O)(=O)c1ccc(C)cc1 1859421 LOBKQKRRQFFDKX-UHFFFAOYSA-N 322.338 2.470 0 40 DEAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 256926 DEAVWQSRBJQFEW-WDEREUQCSA-N 305.330 2.303 0 40 DEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 7769107 ULKUVGPYEHNHHI-BXUZGUMPSA-N 310.419 2.312 0 40 DEAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)cc1 100200743 FIXXLZVLJIPRFG-DACLVMHWSA-N 311.337 2.112 0 40 DEAB CN(Cc1nc(C2CC2)no1)C[C@@H]1COc2ccccc2O1 29525674 YQCVRBRZQSONMZ-GFCCVEGCSA-N 301.346 2.219 0 40 DEAB O=C(NCCCOC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2S1 32880038 HYNRSBURPWWUTH-HOCLYGCPSA-N 321.442 2.405 0 40 DEAB Cc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)no1 46243870 IXJBKBKYOSWKDH-SNVBAGLBSA-N 305.403 2.221 0 40 DEAB Cn1cc(CNCC2(O)CCCCC2)c(-c2cccnc2)n1 60366858 DSLVJAZKZNUABK-UHFFFAOYSA-N 300.406 2.267 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)/C=C/c2csc(C)n2)C1 68016791 SRGXTZKYIKJZBS-SYTKJHMZSA-N 323.418 2.202 0 40 DEAB CCc1cccc(OCC(=O)N[C@H](CC(C)C)C(=O)N(C)C)c1 32931674 COEPAZWBTORZFW-MRXNPFEDSA-N 320.433 2.247 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)NC1CCCCC1 9911124 ZQZSVDQNVPQRAA-UHFFFAOYSA-N 313.401 2.276 0 40 DEAB CC[C@@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)CC 53057347 DBPKRIYUGLVRLF-LLVKDONJSA-N 301.433 2.019 0 40 DEAB CCOC(=O)N1CCC(NCc2c(C)nn(CC)c2C)CC1 69655648 IAOVSZMXFHWGFE-UHFFFAOYSA-N 308.426 2.230 0 40 DEAB Cc1ccc(-c2nc(CN3CCO[C@H](CN(C)C)C3)co2)cc1 69665234 SJDQRCCRUAMLPA-QGZVFWFLSA-N 315.417 2.412 0 40 DEAB Cc1nc(CN2CCC[C@H](Cn3cncn3)C2)nc2ccccc12 69654155 FALWXGIQHRYACH-HNNXBMFYSA-N 322.416 2.442 0 40 DEAB Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](C)N)o1 8510586 SBCYLVWASQGOTD-SNVBAGLBSA-N 306.391 2.437 0 40 DEAB CCN(CC(=O)NC[C@@H](C)CC1(C)OCCO1)c1ccccc1 71916658 IPBWAYPZBUWPEQ-HNNXBMFYSA-N 320.433 2.418 0 40 DEAB O=C(O)c1cn(-c2ccc(I)cc2)cn1 50225931 LHWBGLYPFPHVFX-UHFFFAOYSA-N 314.082 2.175 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)Cn2cc(Cl)c(C)n2)c1C 2776804 RKTCEOJCCFHLGZ-UHFFFAOYSA-N 323.828 2.337 0 40 DEAB COc1ncccc1CNC(=O)CCC(=O)c1cccs1 23101781 BTHJTRNVMSJUBP-UHFFFAOYSA-N 304.371 2.431 0 40 DEAB CN(C)C(=S)/N=c1/ss/c(=N\c2ccccc2)n1C 104277135 CLTQXRQZNGPZGB-HEEUSZRZSA-N 310.473 2.128 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 110589824 XHDLMIHBMSHMHW-XDQVBPFNSA-N 301.452 2.094 0 40 DEAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1cccc[n+]1[O-] 47297883 BSZILJRSBVTARI-QGZVFWFLSA-N 305.337 2.234 0 40 DEAB Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3ccccc3n2)no1 24834545 PDNDLBZNGLXMLP-HNNXBMFYSA-N 310.357 2.328 0 40 DEAB O=C(C1CC1)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 25169080 JULRAIACVVXQAJ-CVEARBPZSA-N 316.376 2.010 0 40 DEAB Cc1ccc(CC(=O)NC2CCN(C(=O)C(C)C)CC2)cc1 25249031 YFYCFSUCYHEJKF-UHFFFAOYSA-N 302.418 2.301 0 40 DEAB CC(C)[C@@H](CNc1ncnc2ccsc12)N1CCN(C)CC1 44406413 BNZSQZQSRAXREZ-CQSZACIVSA-N 319.478 2.375 0 40 DEAB CN(C(=O)CN1CCC(c2cc[nH]n2)CC1)C1CCCCC1 58246120 SECMKAHECMYIGY-UHFFFAOYSA-N 304.438 2.380 0 40 DEAB Cc1ncc(CN(C)CCn2c(=O)oc3ccccc32)s1 44972268 PMPHSCYUDRWNDC-UHFFFAOYSA-N 303.387 2.491 0 40 DEAB CCc1ccsc1C(=O)NCCC(=O)NCc1ccncc1 58378375 QJRWHDRIWFNVQO-UHFFFAOYSA-N 317.414 2.142 0 40 DEAB COc1ccc(-c2nnc(CNC[C@H](C(C)C)N(C)C)o2)cc1 58342010 HDKXXJMQCNEGLV-OAHLLOKOSA-N 318.421 2.421 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@H]2CN2CCCC2)c1 58356611 DBWDKSXCXQGDIV-INIZCTEOSA-N 302.418 2.325 0 40 DEAB COC(=O)CCNC(=O)CCc1ccccc1Br 48185889 WCEWGKQEFFGGJQ-UHFFFAOYSA-N 314.179 2.061 0 40 DEAB COC(=O)c1c(C)cccc1NCC(=O)N1CCC[C@@H](C)C1 12752047 OWUZZHBVQPDQLY-GFCCVEGCSA-N 304.390 2.452 0 40 DEAB C[C@@H](c1ccccc1)N(C)CC(=O)N(C)CC(=O)NC(C)(C)C 16345292 HFGGCMLBWQAEDF-AWEZNQCLSA-N 319.449 2.053 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccncc2)CC1 8097877 ISMSAIOPOJGFHN-UHFFFAOYSA-N 320.396 2.454 0 40 DEAB COc1ccc(N(C)C(=O)c2ccc([S@@](C)=O)cc2)cn1 65517760 BOELZNYBYHOSCE-NRFANRHFSA-N 304.371 2.104 0 40 DEAB Cc1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1 69350797 GEDSFOFEGZVHOL-CQSZACIVSA-N 306.431 2.282 0 40 DEAB CN(C)C(=O)Cn1ccc2cc(NC(=O)c3ccc[nH]3)ccc21 69379468 CQUCLAXJSZRYQW-UHFFFAOYSA-N 310.357 2.310 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)OCCCO2 6551935 AFGKPBPTMDJAJZ-UHFFFAOYSA-N 324.358 2.254 0 40 DEAB CCOC(=O)c1ccc(NS(=O)(=O)N2CCCCC2)cc1 4666941 LZQWKYYLVVYSNN-UHFFFAOYSA-N 312.391 2.006 0 40 DEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1ccco1 6628929 SEVDAPRHGOHTPI-UHFFFAOYSA-N 311.341 2.155 0 40 DEAB Cc1cc(N)nc(S[C@H](C)C(=O)NCc2ccccc2)n1 7048632 NVEHXPRAYPZFBE-LLVKDONJSA-N 302.403 2.164 0 40 DEAB O=C(NC1CCOCC1)N1CCCN(Cc2cccs2)CC1 80087018 RFYFGJVLPSMTPX-UHFFFAOYSA-N 323.462 2.144 0 40 DEAB C[C@H](Oc1ccccc1Cl)C(=O)NCc1cc[nH]c(=O)c1 69527851 DGWPEBCEPKWIMZ-JTQLQIEISA-N 306.749 2.112 0 40 DEAB CCNC(=O)CNc1ccn(-c2cccc(C(F)(F)F)c2)n1 96008289 FLYRMYLSSNAGIA-UHFFFAOYSA-N 312.295 2.439 0 40 DEAB CNC(=O)[C@H](C)CN(C)Cc1c(F)cccc1N1CCCC1 93899719 KEYFELZOAVUMHO-CYBMUJFWSA-N 307.413 2.240 0 40 DEAB COc1ccc(CN(C)[C@H]2CCC[C@@H]2S(C)(=O)=O)cc1F 96460105 FQHMSVMCOSWZNL-ZFWWWQNUSA-N 315.410 2.232 0 40 DEAB Cc1oc(-c2ccsc2)nc1CN1CCN(C[C@H](C)O)CC1 71877386 FQZXVBAWWDVWHF-LBPRGKRZSA-N 321.446 2.210 0 40 DEAB NC(=O)CN(C(=O)c1cnc(-c2ccccc2)nc1)C1CCCC1 71839345 LYWXJNQOQKHPQV-UHFFFAOYSA-N 324.384 2.014 0 40 DEAB CC[C@@H](COC)NC(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1 72292033 JZXASDCCKSYKQL-LBPRGKRZSA-N 303.366 2.327 0 40 DEAB Cc1cc(C)cc(-n2nc(NC(=O)N3CC[C@@H](O)C3)cc2C)c1 96501801 RLQDJFOZSQPFRQ-OAHLLOKOSA-N 314.389 2.396 0 40 DEAB O=C([C@@H]1CSc2ccccc21)N1CCC[C@@H](n2cncn2)C1 72287884 SAWUVWIBMYRAFH-TZMCWYRMSA-N 314.414 2.331 0 40 DEAB Cc1cccc(O)c1NC(=O)CNC(=O)c1cc(F)cc(F)c1 97095691 BIUGJJKKSSBZFJ-UHFFFAOYSA-N 320.295 2.347 0 40 DEAB Cc1cc(NC(=O)N2CCN(c3nccs3)CC2)ccn1 97032414 SQYWBCNYOWBWSB-UHFFFAOYSA-N 303.391 2.201 0 40 DEAB CC[C@H](N)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 97019133 NRQIFKIOJBHJCK-YFKPBYRVSA-N 315.301 2.294 0 40 DEAB Cc1cc(NC(=O)CCc2cncc(F)c2)c(C(N)=O)cc1F 97033643 XNDUBWWURIUGDK-UHFFFAOYSA-N 319.311 2.338 0 40 DEAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1cnn(CC)c1 87480251 BBSFCQRXKLGMRQ-INIZCTEOSA-N 301.390 2.407 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)c2c(C)nn3cccnc23)C12CCC2 89985808 YUGCMUIFBUFDRX-STQMWFEESA-N 314.389 2.115 0 40 DEAB COc1cccc(-c2cc(C(=O)Nc3cnn(C)c3C)n[nH]2)c1 28230363 HTHMDJTXFHZNLV-UHFFFAOYSA-N 311.345 2.380 0 40 DEAB CCS(=O)(=O)N(CCCn1ccnc1)c1ccccc1F 97114980 YJLRSLOVRAVNND-UHFFFAOYSA-N 311.382 2.269 0 40 DEAB C[C@H](C(=O)N1CCC[C@@H](c2ccn[nH]2)C1)N1CCCCCC1 72300276 QCZCSETZUUFKJX-HUUCEWRRSA-N 304.438 2.380 0 40 DEAB O=C(Cc1ccn[nH]1)NC[C@H](O)c1cc2ccccc2s1 84595014 NDCZPDSZDCPHJK-LBPRGKRZSA-N 301.371 2.017 0 40 DEAB CCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 76018715 FZGZIWATFXAWRP-VXGBXAGGSA-N 301.795 2.300 0 40 DEAB COc1cccc(-c2cc(C(=O)NCCc3ccncc3)n[nH]2)c1 95479875 HYTRZCMOIOPFOD-UHFFFAOYSA-N 322.368 2.453 0 40 DEAB COc1ccsc1S(=O)(=O)N(C)Cc1cnc(C)s1 95415226 MRIVULGEBQKOLC-UHFFFAOYSA-N 318.445 2.342 0 40 DEAB Cc1nn(C)c2sc(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc12 78156719 CCOMYUPRHGOVAJ-WQAKAFBOSA-N 319.430 2.487 0 40 DEAB O=C(NCCCOC[C@@H]1CCCO1)N1C[C@H]2CC=CC[C@H]2C1 73541628 JDMLZYRQEZBTDH-XHSDSOJGSA-N 308.422 2.180 0 40 DEAB CCCc1ccccc1NC(=O)c1cn(C2CCNCC2)nn1 95947739 WNMGOQYJQABAIO-UHFFFAOYSA-N 313.405 2.407 0 40 DEAB CN(C)CC1CCC(NC(=O)N[C@H](CO)c2ccccc2)CC1 95995127 IDXDQSAEUIBFSF-BDVYOWHSSA-N 319.449 2.140 0 40 DEAB CC(C)COc1cncc(N2CCC[C@H](N3CCCC3=O)C2)n1 86183319 IATMJNPNKJWQJJ-AWEZNQCLSA-N 318.421 2.103 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117560 WXPJMQNHWLOJFN-QWHCGFSZSA-N 312.369 2.291 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccnc3ccnn23)c1 75134523 NJLLCHAMBTXMLE-UHFFFAOYSA-N 313.292 2.079 0 40 DEAB C[C@H](C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1)S(C)(=O)=O 79040784 IJIATCVOBSUYFW-MEBBXXQBSA-N 321.398 2.433 0 40 DEAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2c(c1)OCCO2 20140749 MWUMCQKQBKPVGZ-UHFFFAOYSA-N 315.281 2.114 0 40 DEAB NC(=O)COc1ccc(/C=C/C(=O)N2CCc3ccccc32)cc1 32808556 WGUKGQVFQLJEHG-JXMROGBWSA-N 322.364 2.153 0 40 DEAB CCOC(=O)N1CCC(NC(=O)c2c(F)cccc2F)CC1 32904285 KEFJNEONARPARW-UHFFFAOYSA-N 312.316 2.316 0 40 DEAB COC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1C 72739617 XTOJJDLSRCOLHN-UHFFFAOYSA-N 311.403 2.393 0 40 DEAB COc1nc2c(cc1C(=O)N1CC(c3cccnc3)C1)CCC2 72172698 XHBXPVYDXRENGC-UHFFFAOYSA-N 309.369 2.214 0 40 DEAB Cc1cc(C)nc(N2CCN(C(=O)NC3CCCCC3)CC2)n1 35314000 PONKHFXZIUAZLE-UHFFFAOYSA-N 317.437 2.258 0 40 DEAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1csc(C(C)C)n1 78394708 KHGGAQKDPFEEGO-GIGQVBGESA-N 302.465 2.430 0 40 DEAB CC(=O)Nc1nc([C@H]2CCCN(c3ncccn3)C2)cs1 72368980 OSGIKQJCEYYETP-NSHDSACASA-N 303.391 2.276 0 40 DEAB Cc1ccc2c(c1)CN(C(=O)N[C@@H]1COCC1(C)C)CCO2 568596124 LCFWQBMGQULPMI-OAHLLOKOSA-N 304.390 2.324 0 40 DEAB COC(=O)N1CC[C@@H](NCc2cnc(C)n2-c2ccccc2)C1 84048354 KYTVAHFDSCPDGL-CQSZACIVSA-N 314.389 2.111 0 40 DEAB COc1ccc(CN2C[C@H]3CN(CC(C)C)CCN3C2=O)cc1 85436190 QSVCPHXJGRHHOZ-MRXNPFEDSA-N 317.433 2.273 0 40 DEAB biogenic,in-vitro COc1ccc(CN(C)c2ncnc3nccnc23)cc1OC 222285923 SEZAVKFAENXKIW-UHFFFAOYSA-N 311.345 2.073 0 40 DEAB CC(C)[C@@H](NC[C@@]1(O)CCCN(C)C1)c1nc2ccccc2[nH]1 46087363 KMUGKVDSUWVBCS-AEFFLSMTSA-N 316.449 2.306 0 40 DEAB CSc1ncccc1C(=O)N1CCC2(CC1)OCCCO2 77187037 QIRAKTPRUGBGBX-UHFFFAOYSA-N 308.403 2.173 0 40 DEAB C[C@H](Cn1cccn1)OC(=O)c1cccc(N2CCCC2=O)c1 83793568 DCHFHLXCHINWDK-CYBMUJFWSA-N 313.357 2.255 0 40 DEAB CCOC[C@H]1CC2(CCN(C(=O)c3cscn3)CC2)CO1 96105877 LQYUOAONEQEFKD-GFCCVEGCSA-N 310.419 2.191 0 40 DEAB CCc1ccccc1NC(=O)C(=O)NCc1ccn(C(C)C)n1 96416124 UEBNYOAMCIJTQH-UHFFFAOYSA-N 314.389 2.281 0 40 DEAB COc1ccccc1CNC[C@H]1COCc2nc3cccnc3n21 96112791 WQQCXCTZNPSSTG-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro Cc1occc1C(=O)N1CCc2ncnc(NC3CC3)c2CC1 96255477 UQXPPZCCKBDRBW-UHFFFAOYSA-N 312.373 2.193 0 40 DEAB c1ccc(CO[C@@H]2CN(C3CCOCC3)[C@@H]3CCCO[C@H]23)nc1 96065959 LZWDMNWNTBKGBM-KURKYZTESA-N 318.417 2.009 0 40 DEAB COC[C@@H]1CN(CC2CC2)C[C@@]12CCN(Cc1nccs1)C2 96218449 GBLSBLSUQFFEOE-RDJZCZTQSA-N 321.490 2.323 0 40 DEAB CCO[C@H](C)c1nccn1Cc1ccc(S(C)(=O)=O)cc1 252495214 ONSIPURBISCMRD-GFCCVEGCSA-N 308.403 2.432 0 40 DEAB CC(C)(C)OC(=O)N1CCO[C@@](CC(=O)O)(C(F)(F)F)C1 256052154 MCEDWEYHOWYPGQ-LLVKDONJSA-N 313.272 2.030 0 40 DEAB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccnn2C)n1 257268662 MMPOVDKFDLGNOB-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cnc([C@@H]2CCCCO2)nc1 257199916 ABGJWLJPJPYXSL-ZDUSSCGKSA-N 316.361 2.253 0 40 DEAB Cc1ccc(C[C@@]2(CO)CN(Cc3ccncc3)CCO2)cc1 585276953 SXAGRHYVFCBBEL-IBGZPJMESA-N 312.413 2.196 0 40 DEAB CC(=O)N(C)Cc1cccc(Nc2ncnc3c2cnn3C)c1 42099472 KXPXZXFRRTXNOQ-UHFFFAOYSA-N 310.361 2.085 0 40 DEAB Cc1nc(CN(C)[C@@H](C)C(=O)NC(C)C)nc2ccccc12 68820957 NAXVAQQAISZLQI-ZDUSSCGKSA-N 300.406 2.283 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H](n2cccn2)C1 69351967 NRPFVHKZHWELGA-CYBMUJFWSA-N 322.368 2.202 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccncc1 69537457 SELUKKJAFAXTOS-LLVKDONJSA-N 309.391 2.330 0 40 DEAB COCCOc1cc(C(=O)NCCCc2ccccc2)ccn1 182273187 VIBSECWVMIVNNL-UHFFFAOYSA-N 314.385 2.469 0 40 DEAB O=c1[nH][nH]c(=O)c2c(NC(=S)Nc3ccccc3)cccc12 16490047 MMGADBZTPCFBSN-UHFFFAOYSA-N 312.354 2.025 0 40 DEAB CC(=O)N1CC(C(=O)NCC2(c3ccccc3)CCCC2)C1 19747438 ICKDFODBNCIMFU-UHFFFAOYSA-N 300.402 2.093 0 40 DEAB CCN(CC)C(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 19934176 BTUDAKKWUYUBFR-UHFFFAOYSA-N 304.799 2.194 0 40 DEAB C[C@@H]1CNCC[C@]1(O)Cc1cc(F)ccc1Br 169218914 PDDZCLOCARPSPP-RNCFNFMXSA-N 302.187 2.491 0 40 DEAB O=C(O)C1(C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)n2)CC1 573328307 HILXHPMBXRDHIC-UHFFFAOYSA-N 324.336 2.487 0 40 DEAB Cc1cc(C)c(S(=O)(=O)NCC2CCN(C)CC2)cc1C 22999733 KGYGVJIGJBQUKS-UHFFFAOYSA-N 310.463 2.232 0 40 DEAB O=C1CN(c2cnc3ccccc3n2)CCN1Cc1ccccc1 1167104496 ZHWPBSJAOJTBRW-UHFFFAOYSA-N 318.380 2.479 0 40 DEAB CCOC(=O)C1CCN(C[C@@H](O)COc2cccc(C)c2)CC1 353018 MIXARTSGVVLQPS-MRXNPFEDSA-N 321.417 2.010 0 40 DEAB c1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1 9075169 HTDWWXNILXUQAZ-UHFFFAOYSA-N 308.345 2.000 0 40 DEAB CCCNC(=O)c1cn(CC)cc2c(=O)n(-c3ccccc3)nc1-2 9661393 FBZGFQUUHBXLRR-UHFFFAOYSA-N 324.384 2.299 0 40 DEAB CNC(=O)[C@@]1(n2cccn2)CCCN(CC2CCCCC2)C1 2055772287 RDPVIKNOAOMSAZ-QGZVFWFLSA-N 304.438 2.001 0 40 DEAB Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CNC(=O)C2 219835995 JZCPOWNUCRERMH-UHFFFAOYSA-N 306.793 2.391 0 40 DEAB Cc1cc(-c2noc(CNC(=O)c3ccc4cc[nH]c4c3)n2)no1 585149459 UKHNSBXQOUTJJU-UHFFFAOYSA-N 323.312 2.444 0 40 DEAB COc1ccc(NC(=O)[C@@H]2C(=O)NC[C@H]2C(C)(C)C)c(C)c1 585149513 CATKESRFYIFXBX-OCCSQVGLSA-N 304.390 2.350 0 40 DEAB O=C(NCC1CC1)[C@H]1CCCC(=O)N1Cc1ccc(F)cc1 2298032735 HICNFDPSHLMAIG-OAHLLOKOSA-N 304.365 2.233 0 40 DEAB CCOC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C(C)C)CCC2 36657836 QYFBFCVDBRDBHG-UHFFFAOYSA-N 318.373 2.123 0 40 DEAB COC(=O)c1cccc(OCCNC(=O)c2cccs2)c1 30952717 QYTLFQMSGXGVHV-UHFFFAOYSA-N 305.355 2.344 0 40 DEAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@H]2C(=O)N1c1ccccc1 100096580 USWUQRVKTQVBJU-IAGOWNOFSA-N 306.365 2.308 0 40 DEAB CCCCn1c(SCc2noc(CC(C)C)n2)n[nH]c1=O 30698525 ZFDWFTCDQMZHGX-UHFFFAOYSA-N 311.411 2.245 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2ccc(CNC(N)=O)cc2)o1 40462235 HWAKATIMDIUWHL-NSHDSACASA-N 301.346 2.247 0 40 DEAB O=C(O)c1ccc(C(=O)N2CCN(C3CCCC3)CC2)cc1 2456710 UKRLJDFVUDEKTF-UHFFFAOYSA-N 302.374 2.085 0 40 DEAB C[C@H](NCc1ccc(-n2cccn2)cc1)c1nnc2n1CCC2 40513716 GWOTUDWQGZAOLF-ZDUSSCGKSA-N 308.389 2.261 0 40 DEAB COc1ccc([C@@H](O)[C@H](NCCO)c2ccc(OC)cc2)cc1 1668850 PDPNQUZPEWAQHI-QZTJIDSGSA-N 317.385 2.060 0 40 DEAB CCOC(=O)c1cc(C(=O)Nc2ccccc2CC)nn1C 2760469 JUFJDVXGKYZORO-UHFFFAOYSA-N 301.346 2.412 0 40 DEAB C[C@@H](Sc1nncn1C)C(=O)N1c2ccccc2C[C@H]1C 6063383 KXTZZQMVVCOILU-GHMZBOCLSA-N 302.403 2.274 0 40 DEAB Cc1cc(C)c(OCC(=O)O[C@H](C)C(=O)NC2CC2)c(C)c1 6551695 FYOQMWQVKWHDMF-CYBMUJFWSA-N 305.374 2.201 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCOCC1 6788714 GZGCECPZMBRIOQ-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB O=C1CCCN1c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 7612464 JHTJNLCVHDHIGM-CQSZACIVSA-N 319.430 2.279 0 40 DEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@H]1C[C@@H](C)OC1=O 32850612 VTXSFAXABHTJHP-RNCFNFMXSA-N 317.345 2.181 0 40 DEAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N1CCc2sccc2C1 21627390 UGQWFKHQBWBNQL-CYBMUJFWSA-N 318.442 2.424 0 40 DEAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2C(=O)NCc1ccccc1 488892 WKYZUPXREABRLY-RDTXWAMCSA-N 317.385 2.194 0 40 DEAB biogenic C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)Nc1ccccc1 8503966 PIHXJOHQHJQOIH-VIFPVBQESA-N 304.375 2.026 0 40 DEAB O=c1[nH]ncc(NCCc2ccc(-n3cccn3)cc2)c1Cl 22136044 WIUAJJIRLSVEJQ-UHFFFAOYSA-N 315.764 2.264 0 40 DEAB CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1 57355469 BBNDXOHKXOPFEZ-RDJZCZTQSA-N 318.417 2.139 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1n[nH]c(-c2ccccn2)n1 47342922 AOOOOFJDNSXLOF-UHFFFAOYSA-N 312.333 2.043 0 40 DEAB CC(C)(C)n1nnnc1SCCOC[C@H]1CCCCO1 71921917 VQWNXNNOTSWRGV-LLVKDONJSA-N 300.428 2.106 0 40 DEAB COCc1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 23227808 XZKGLVUWXNXIMA-UHFFFAOYSA-N 310.313 2.028 0 40 DEAB CC(C)(C)c1nc2ccc(NC(=O)c3nccnc3N)cc2[nH]1 12520160 CYGZLNLOJYEUFL-UHFFFAOYSA-N 310.361 2.485 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cn1 24985364 WKSFKQZVGJBBQL-OAHLLOKOSA-N 310.357 2.028 0 40 DEAB Cc1c([C@@H](C)NC(=O)CCc2nc3ccccc3[nH]2)cnn1C 25001670 KPDXJXKADDSXEH-LLVKDONJSA-N 311.389 2.415 0 40 DEAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)sc2C1 25280342 PGQSXAJQWIHKRH-VHSXEESVSA-N 319.430 2.217 0 40 DEAB CC[C@@H](COc1ccccc1)NC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108105753 FBOOYJXMEFHANC-LCGIIJARSA-N 304.390 2.463 0 40 DEAB C[C@H](NC(=O)NCCCn1cncn1)c1ccccc1Cl 47891369 IYDSZFRNLCIOQH-NSHDSACASA-N 307.785 2.382 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)c1ccccc1 58050024 LOUYLAGDLYSFAC-CQSZACIVSA-N 305.374 2.353 0 40 DEAB C[C@@H](CNC(=O)c1cccc(Cn2ccnc2)c1)Cn1cccn1 58305561 RERQMZQUNFZTOG-HNNXBMFYSA-N 323.400 2.194 0 40 DEAB O=C(Nc1ccc(OCC(F)(F)F)cc1)C1=COCCO1 10979577 ARIHSXOVQMWFKP-UHFFFAOYSA-N 303.236 2.454 0 40 DEAB COc1cccc(C(=O)COc2cc(OC)ccc2C(N)=O)c1 48272532 KBEQOMFOPFRSCP-UHFFFAOYSA-N 315.325 2.064 0 40 DEAB COCCOc1ccc(CNC(=O)c2ccnc(Cl)c2)cn1 48392600 SVIXKPQNLPERBH-UHFFFAOYSA-N 321.764 2.085 0 40 DEAB CC(C)N(CC(N)=O)C(=O)Cc1coc2cc3c(cc12)CCC3 3450662 GXYYUTFNESXKHQ-UHFFFAOYSA-N 314.385 2.186 0 40 DEAB CNc1snc(C)c1C(=O)NCc1ccc(OC)c(OC)c1 16970175 IUQPBZJZMVGKME-UHFFFAOYSA-N 321.402 2.440 0 40 DEAB CN(C)[C@@H](C(=O)N1CCC[C@H](n2cccn2)C1)c1ccccc1 69371198 ZREXPBQHJVMJQT-DLBZAZTESA-N 312.417 2.350 0 40 DEAB CC(C)c1ccc(CCC(=O)NC2CCN(C(N)=O)CC2)cc1 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COc1nc2ccccc2cc1CN[C@H]1CCCn2ncnc21 97034968 VMHVZLJGKJTXAU-HNNXBMFYSA-N 309.373 2.460 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@@H](C)O1 97141001 WOTBSWQJOIOOPG-JWCBKOKGSA-N 310.419 2.206 0 40 DEAB Cc1ocnc1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 97198645 JEZQBDWIOWSWFL-LLVKDONJSA-N 302.378 2.222 0 40 DEAB CCN1CCC[C@H](NC(=O)/C=C/c2cnc3ccccc3n2)C1 78766501 SKOLIYAVPMFWJO-FEAKQIBJSA-N 310.401 2.244 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 84721522 YWFWLDDRGJJNLV-NHYWBVRUSA-N 321.373 2.165 0 40 DEAB CC[C@@H]1CN(C(=O)[C@@H](C)c2ccsc2)C[C@H]1N1CCOCC1 84735641 MPDYUSWIAACXOA-SQWLQELKSA-N 322.474 2.421 0 40 DEAB Cc1csc(COc2ccc(S(=O)(=O)N(C)C)cc2)n1 79073245 LUPREKRACDTLLR-UHFFFAOYSA-N 312.416 2.281 0 40 DEAB CC(C)(C)c1ccc([C@H](O)CNC(=O)CCn2cccn2)cc1 95417424 YXGYSNHTKOROMX-MRXNPFEDSA-N 315.417 2.421 0 40 DEAB O=C(CO[C@@H]1CCOC1)NCC1(Cc2ccccc2)CCC1 95965142 LDMGJMDARQWXMI-MRXNPFEDSA-N 303.402 2.321 0 40 DEAB CCCN(CCO)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 88618658 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LSRDZBOSBVLHLN-IAGOWNOFSA-N 302.418 2.461 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 26781657 VRBMFTHOXXVRCP-CKEIUWERSA-N 320.433 2.363 0 40 DEAB CN1CCCC[C@@]2(CN(Cc3cc(F)ccc3F)CCO2)C1=O 2037983628 ATAMHUCVEISSJB-QGZVFWFLSA-N 324.371 2.178 0 40 DEAB COc1cccc(-n2nnc(-c3nc4ccccc4[nH]3)c2N)c1 2087097107 CZKYJYXZUCQBSN-UHFFFAOYSA-N 306.329 2.401 0 40 DEAB COc1ccc(CC(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 16916396 BLAUMHQHLCRUHE-UHFFFAOYSA-N 310.353 2.395 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1CCCNC[C@@H]1C[C@H]2C=C[C@H]1C2 100699230 GEWCBNUNGIXNAC-KKUMJFAQSA-N 317.433 2.043 0 40 DEAB Cc1ccccc1OCCN1C(=O)N[C@@](C)(c2ccco2)C1=O 30343143 PTFLNNVRDBOAJC-KRWDZBQOSA-N 314.341 2.434 0 40 DEAB COC(=O)[C@H](N)c1ccc(OCc2ccccc2)c(OC)c1 20149882 HSRJBASWCZZAMM-MRXNPFEDSA-N 301.342 2.447 0 40 DEAB CCCc1noc([C@@H](C)Sc2nnnn2C[C@@H]2CCCO2)n1 40496567 NUITXHOZAKNTDE-ZJUUUORDSA-N 324.410 2.041 0 40 DEAB COc1ccc(C(=O)N[C@@H]2CCCNC2=O)cc1-c1ccccc1 50634019 VRHTUNPNIFVLEJ-MRXNPFEDSA-N 324.380 2.371 0 40 DEAB COCC[C@@H](NC(=O)NCC(C)(C)O)c1ccc(Cl)cc1 89761756 WOBCYNKPVBVZAM-CYBMUJFWSA-N 314.813 2.488 0 40 DEAB CC(C)C1=NN(C(=O)c2ccncc2)[C@@](O)(C(F)(F)F)C1 248976 YUNMVXGSULODMJ-LBPRGKRZSA-N 301.268 2.190 0 40 DEAB O=C(NCCc1ccccc1F)c1cnn(-c2ccccc2)n1 8369499 YUQMZJPBKANETK-UHFFFAOYSA-N 310.332 2.379 0 40 DEAB C[C@@H](NC(=O)CN1C(=O)CCOc2ccccc21)c1ccco1 8360331 YGYBILFJYXBCHC-GFCCVEGCSA-N 314.341 2.273 0 40 DEAB CC(C)(C)CC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 29176234 XIYHVZBAXSORHS-UHFFFAOYSA-N 303.362 2.113 0 40 DEAB COC(=O)[C@H](C)CN(C)S(=O)(=O)C1=Cc2ccccc2CC1 45815735 ZVDJAQZEMPRCRV-GFCCVEGCSA-N 323.414 2.044 0 40 DEAB COc1ccc(OC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 21248033 FHEXPYVADSYPGB-UHFFFAOYSA-N 306.339 2.318 0 40 DEAB CN1C[C@H](C(=O)N[C@@H](c2ccccc2)c2cccs2)CC1=O 46165913 IHEHCDSLMDONKS-CJNGLKHVSA-N 314.410 2.432 0 40 DEAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)[C@@H]1CCCO1 52431064 CXWPKCLKDFQLPI-UFBFGSQYSA-N 319.386 2.295 0 40 DEAB COc1ccc(C)cc1CN1CCO[C@@H](Cn2cc(C)cn2)C1 69459677 QXNCNWOWGVOPRE-QGZVFWFLSA-N 315.417 2.410 0 40 DEAB Cc1ccc2nc(CN3CCC[C@@H]3c3cnn(C)c3)cc(=O)n2c1 69653038 GUQMIMGLEMBRGA-MRXNPFEDSA-N 323.400 2.074 0 40 DEAB Cc1cccc(C2(C(=O)NCCCCN3CCOCC3)CC2)c1 53056377 YMPOLHQEWQDLKD-UHFFFAOYSA-N 316.445 2.255 0 40 DEAB O=C(NCCS(=O)(=O)Cc1ccccc1)[C@@H]1CC=CCC1 41617541 WRZQUNYMLDTLQS-OAHLLOKOSA-N 307.415 2.074 0 40 DEAB Cc1c(C(=O)NCc2cccnc2OC2CCCC2)cnn1C 42074926 XGLICVHPWQZODS-UHFFFAOYSA-N 314.389 2.375 0 40 DEAB C[C@@H](C(=O)N1CCCCC1)N1CCC(N2CCCCC2)CC1 26439436 NFYDAMWQHAUDID-INIZCTEOSA-N 307.482 2.338 0 40 DEAB Cn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1 2736241 QGVGBXURBBKXDA-UHFFFAOYSA-N 315.558 2.483 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1ccccn1 100141236 RXKUTPWADUDXEN-WFASDCNBSA-N 319.368 2.335 0 40 DEAB COc1nn(C)c2nc(C)c(CCC(=O)N3CCCC3)c(C)c12 24823675 ZLAJDHRIQXGCFJ-UHFFFAOYSA-N 316.405 2.149 0 40 DEAB Cn1cc(NC(=O)CCCc2nc(-c3ccccc3)no2)cn1 25307596 BREDMTDOASUTFO-UHFFFAOYSA-N 311.345 2.432 0 40 DEAB CCCCCc1nnc(NC(=O)[C@H](NC(C)=O)C(C)C)s1 26557523 AKEQZRBQFWFWQZ-GFCCVEGCSA-N 312.439 2.370 0 40 DEAB COc1ccccc1-c1ccc(N2CCC(C(=O)O)CC2)nn1 61966108 DPHRWFYHCLPANI-UHFFFAOYSA-N 313.357 2.453 0 40 DEAB O=C(NCCc1cccs1)NC[C@H](O)c1cccc(F)c1 58291612 LYNYZOOGAGOJGN-AWEZNQCLSA-N 308.378 2.463 0 40 DEAB Cc1ccn2c(=O)cc(COc3ccc4c(c3)OCO4)nc2c1 3249855 BVXKSMFVIOEJBK-UHFFFAOYSA-N 310.309 2.311 0 40 DEAB COc1cc(C)c([C@H](C)N2C[C@H](C(=O)O)CC2=O)cc1OC 44979091 SBWLVKNHWXJDJX-WDEREUQCSA-N 307.346 2.006 0 40 DEAB C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1ccnc1 44976150 LSQVNSJYJWQVEZ-HNNXBMFYSA-N 312.417 2.225 0 40 DEAB CONC(=O)c1nn(-c2cccc(C(F)(F)F)c2)cc1OC 58368868 SVBLMKQSNYCZGQ-UHFFFAOYSA-N 315.251 2.191 0 40 DEAB Cn1cccc1/C=C1/SC(=S)N(CCCC(=O)O)C1=O 2399564 BCHGGUQQEBAARH-CSKARUKUSA-N 310.400 2.091 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)c(O)c1 12799690 MVGOKDBBPUPBAT-UHFFFAOYSA-N 312.369 2.388 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccccn2)CC1 8429833 VBBZAZPHIHGDJY-UHFFFAOYSA-N 320.396 2.454 0 40 DEAB Cc1csc(NC(=O)Cc2csc(N3CCCC3=O)n2)n1 12792707 VOOOPZWQUOYBIR-UHFFFAOYSA-N 322.415 2.216 0 40 DEAB Cc1cc(NCCCOc2ccccc2F)n2ncnc2n1 48276004 AHUKUKZVJAJWFL-UHFFFAOYSA-N 301.325 2.453 0 40 DEAB CCc1ccc2nc(NC(=O)[C@@H]3CCC(=O)NC3)sc2c1 48263146 RPIXXELATQOQFY-SNVBAGLBSA-N 303.387 2.323 0 40 DEAB COc1ccc(O[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 48343811 UEJRDVGHMOPUFU-GFCCVEGCSA-N 303.362 2.452 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)N1CCc2ccccc21 3416705 RRGZDSCWKKETMS-UHFFFAOYSA-N 300.314 2.038 0 40 DEAB CCn1nnc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)ccc21 69895793 RJGWSUYZHWSQRK-AWEZNQCLSA-N 324.388 2.125 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 3607787 HKHRDNMEUGGHPU-UHFFFAOYSA-N 315.373 2.107 0 40 DEAB COCCN(C)C(=S)Nc1ccc2c(c1)OC(F)(F)O2 63670688 IDHKMJLKKWZLLX-UHFFFAOYSA-N 304.318 2.283 0 40 DEAB C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)NC(N)=O 8707669 GFQMSDKNXPXMFO-MRVPVSSYSA-N 324.793 2.201 0 40 DEAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)Cn2cccn2)c1 65422563 ACPOIGHRDWGZBC-HNNXBMFYSA-N 315.373 2.264 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N1C[C@H](C(N)=O)CC[C@H]1C 65522809 SSOFCKCMZSSJMV-GNEQJTLISA-N 316.401 2.211 0 40 DEAB Cc1ccc2nc(SCC(=O)NC(=O)NC(C)C)[nH]c2c1 6506498 FRTLOLNTDMOGSW-UHFFFAOYSA-N 306.391 2.198 0 40 DEAB O=C1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CCN1 65903197 SMEBTCGXZGXWGU-UHFFFAOYSA-N 311.385 2.009 0 40 DEAB CCc1ccsc1C(=O)NCCC(=O)Nc1cccnc1 66097642 WINMPLLWGZJJAR-UHFFFAOYSA-N 303.387 2.464 0 40 DEAB O=Cc1cn(C[C@@H](O)Cn2nnc3ccccc32)c2ccccc12 5521096 YTPMPILWGOBARK-CQSZACIVSA-N 320.352 2.260 0 40 DEAB NNc1nc(C(F)(F)F)nc2c1cnn2Cc1ccccc1 6604312 WMDNKSWHXJIBFN-UHFFFAOYSA-N 308.267 2.179 0 40 DEAB CC1=NN(C(=O)Cc2ccc(Cl)cc2)[C@@](O)(C(F)F)C1 5614449 AFQLXONBKWILCE-ZDUSSCGKSA-N 302.708 2.444 0 40 DEAB Cc1noc([C@@H](C)NC(=O)c2ccc(OCC3CC3)nc2)n1 66354702 UFYLNQQFSJONTB-SECBINFHSA-N 302.334 2.053 0 40 DEAB COc1ccccc1N1C[C@H](C(=O)Nc2ccccn2)CC1=O 27652852 PUDDLIVRPGGPGZ-GFCCVEGCSA-N 311.341 2.082 0 40 DEAB C[C@@H](CNC(=O)NCCCNC(=O)C1CCC1)c1ccsc1 96452383 HEWHTDGHHJJWLK-LBPRGKRZSA-N 323.462 2.457 0 40 DEAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NCCCC(N)=O 71847914 XOHZUVCJBMYGFB-UHFFFAOYSA-N 321.764 2.299 0 40 DEAB CCCn1cc(CNC(=O)c2ccccc2[C@@H]2CCNC2)cn1 72128936 IMSGJFDPPDHVLO-OAHLLOKOSA-N 312.417 2.300 0 40 DEAB CCN(C[C@@H]1CCOC1)S(=O)(=O)c1ccc2ncccc2c1 72294554 YFTIBTPXTMMFQJ-ZDUSSCGKSA-N 320.414 2.282 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)n2cncn2)n1 72281655 JOZZIXWZBHGDFM-NEPJUHHUSA-N 305.407 2.358 0 40 DEAB C[C@H]1C[C@@H](c2ccsc2)CN1C(=O)C(=O)Nc1cccnc1 95401123 QTQLLZXEMKQOOJ-WCQYABFASA-N 315.398 2.486 0 40 DEAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H](CO)CC(C)C 78601210 HYLXLNVWNOQQJJ-CQSZACIVSA-N 321.421 2.225 0 40 DEAB CCc1cccc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c1O 95458107 DFZRYWFSWCZABO-CXAGYDPISA-N 305.374 2.023 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)CNc2cccc(C)c2Cl)C1 95418013 IULBQRBFBVMHLK-ZDUSSCGKSA-N 323.824 2.187 0 40 DEAB COCCc1noc(CN(C)C(=O)N2[C@H](C)CCC[C@H]2C)n1 95984168 VOHJREPDYFEGTN-VXGBXAGGSA-N 310.398 2.073 0 40 DEAB COc1ccsc1C(=O)Nc1ccnn1C[C@@H]1CCOC1 89484116 JSBBQYKKOFDNAS-JTQLQIEISA-N 307.375 2.242 0 40 DEAB C[C@H]1C[C@H](NCC2(N3CCCCC3)CCOCC2)[C@H](C)CN1C 89595010 VCASDZHAFUFHEY-SQNIBIBYSA-N 323.525 2.340 0 40 DEAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[C@@H](O)c1ccccc1F 89522777 KDEVMYPQHXKHLW-QLJPJBMISA-N 319.380 2.194 0 40 DEAB CCC1CCC(NC(=O)[C@H](C)n2cccn2)(C(=O)OC)CC1 75107175 BIHUKBFDRMCDPV-FUJMWEONSA-N 307.394 2.072 0 40 DEAB O=C(NCC[C@H]1CCCO1)c1ccc(-c2ccccc2)[nH]c1=O 75119211 WFEQSRFEWPMTPQ-CQSZACIVSA-N 312.369 2.341 0 40 DEAB COc1ccc(CN2CCC(N3CCN(C)C3=O)CC2)cc1F 75131400 PDRNLHQNIZBFGW-UHFFFAOYSA-N 321.396 2.166 0 40 DEAB CCO[C@H]1CCCN(C(=O)NCCc2nc3ccccc3[nH]2)C1 67602921 IQKAKRLGHRUTCS-ZDUSSCGKSA-N 316.405 2.316 0 40 DEAB O=C(O)C1(NS(=O)(=O)c2c(F)cccc2F)CCCCC1 37405938 UXGHGZYWYRYVFM-UHFFFAOYSA-N 319.329 2.031 0 40 DEAB Cc1ccc2c(CN3CCC(C(N)=O)CC3)cc(=O)oc2c1C 3486575 LWYJYNXQBBZLKF-UHFFFAOYSA-N 314.385 2.107 0 40 DEAB biogenic CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)O)C1 79410661 WPRFKRLNBXCATR-GFCCVEGCSA-N 300.399 2.181 0 40 DEAB Cc1noc(COc2ccc(NC(=O)CN(C)C(C)C)cc2)n1 79311085 RNUMTGZRMDOIJX-UHFFFAOYSA-N 318.377 2.236 0 40 DEAB COc1cc(/C=C\C(=O)N2CCC=CC2=O)cc(OC)c1OC 31970695 VABYUUZNAVQNPG-FPLPWBNLSA-N 317.341 2.041 0 40 DEAB biogenic,in-vitro CCN(C[C@H]1CCCCN1CCO)C(=O)OCc1ccccc1 79411059 LFFVDBXMNPABBO-QGZVFWFLSA-N 320.433 2.492 0 40 DEAB CC(C)NC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225725934 IAAVYTUABQJWPB-UHFFFAOYSA-N 323.190 2.289 0 40 DEAB COc1ccc(CC(=O)NCCOc2cccc(OC)c2)cc1 43770987 NOJDXMKAAXGPHM-UHFFFAOYSA-N 315.369 2.442 0 40 DEAB O=C(c1ccco1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 40386151 FPBFNBSOUJDHPL-ZDUSSCGKSA-N 310.309 2.071 0 40 DEAB COc1ccc(C(=O)NCc2cnn3c2CCCC3)cc1F 225611577 MOMSRRAWOWIDLS-UHFFFAOYSA-N 303.337 2.297 0 40 DEAB CCNC(=O)Cn1cc(-c2cccc(Br)c2)cn1 227163705 FHEHFQKXIJJNCD-UHFFFAOYSA-N 308.179 2.449 0 40 DEAB CCCO[C@](C)(C(=O)Nc1ccc(OCC(N)=O)cc1)C1CC1 225671299 GIVXRGGBRDKQIS-KRWDZBQOSA-N 320.389 2.085 0 40 DEAB CCN(C)C(=O)[C@H](C)NC(=O)N[C@@H]1CCCc2cc(F)ccc21 191328335 ATCUWXCMWMAZTB-XHDPSFHLSA-N 321.396 2.369 0 40 DEAB Cc1ccsc1S(=O)(=O)N1CCC(c2ccncn2)CC1 333927762 WRXBEVJIMIGJKU-UHFFFAOYSA-N 323.443 2.415 0 40 DEAB Cc1noc(C)c1CN1CCC[C@@]2(CCN([C@@H]3CCOC3)C2)C1 96216077 GSXODXBUVBCPIB-SJLPKXTDSA-N 319.449 2.368 0 40 DEAB Cc1nnc2n1C[C@@H](NCc1c[nH]nc1-c1cccs1)CC2 97199459 OOCGJSFBQFFCSO-LBPRGKRZSA-N 314.418 2.143 0 40 DEAB C[C@@H](CCc1ccccc1F)C(=O)NC[C@H](O)C1CCOCC1 96436975 BVYBIAUVYQQIAR-GUYCJALGSA-N 323.408 2.298 0 40 DEAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccc(C)n2)nn1 96184860 CAHDQUXPOWSWQU-SJORKVTESA-N 309.417 2.342 0 40 DEAB O=C(NCC1CC1)[C@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21 96041117 NTVDCPRPZOCPAV-HRCADAONSA-N 320.458 2.111 0 40 DEAB Fc1cnc(N2CCC[C@]3(CCN(C4CCOCC4)C3)C2)nc1 96158347 VRRDSLZSFGFBOL-QGZVFWFLSA-N 320.412 2.087 0 40 DEAB Nc1ncnc2c1ncn2CCCSc1ccc(O)cc1 96403238 CDCMJTWGKFVQDH-UHFFFAOYSA-N 301.375 2.297 0 40 DEAB Cc1nc(CSc2nnc([C@H]3CCCCO3)n2N)cs1 96436717 ISGPGMJTPOFFSJ-SNVBAGLBSA-N 311.436 2.291 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2ccsc2)[C@@H]1c1cccnc1 96421732 MJFPFLIEEDCGIX-OCCSQVGLSA-N 301.371 2.301 0 40 DEAB O=C(C1CCN(CC(F)F)CC1)N1CCO[C@@H]2CCCC[C@H]21 241465920 NSYMKAJBVAGJLV-ZIAGYGMSSA-N 316.392 2.134 0 40 DEAB CNc1cc(C[C@@H]2COCCN(C3CCCCC3)C2)ncn1 257264234 LTMZDKLYSGKBIS-AWEZNQCLSA-N 304.438 2.342 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257246927 IWPGVQOQUAEFKL-LBPRGKRZSA-N 307.357 2.291 0 40 DEAB Cn1ccnc1-c1cncc([C@H]2CCCN(c3ncccn3)C2)n1 257204337 AUBHYVTVXXJYHM-ZDUSSCGKSA-N 321.388 2.051 0 40 DEAB CC(=O)N1CCC[C@@H](c2cnc(-c3c(C)nn(C)c3C)cn2)C1 257244787 IMTHRXZGTUMWIS-CQSZACIVSA-N 313.405 2.220 0 40 DEAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)CC1CCOCC1 262561095 YKOOMMBEJKEHMA-MRXNPFEDSA-N 303.358 2.014 0 40 DEAB O[C@@H]1[C@@H](NCCCn2ccnc2)CCC[C@H]1Oc1ccccc1 585288881 KVDHXTGFEQUVMX-RCCFBDPRSA-N 315.417 2.224 0 40 DEAB C[C@@H](Nc1ccc2nnnn2n1)c1cccc(OC(F)F)c1 52218157 SXMYVYCJZTVOSO-MRVPVSSYSA-N 306.276 2.294 0 40 DEAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)c2n[nH]c3ccccc23)C1 55401175 SEOPVZLYDXNNMR-CHWSQXEVSA-N 300.406 2.413 0 40 DEAB Cc1cc(C)n(C2CN(CC[S@](=O)c3ccccc3)C2)n1 69538007 UKXPHNMTHFXYJQ-OAQYLSRUSA-N 303.431 2.164 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(C2CCOCC2)C1 1615140476 NJNCXVYAEQMYAN-QGZVFWFLSA-N 309.381 2.474 0 40 DEAB Cc1ccc(C(=O)c2nnn3c2c(=O)[nH]c2ccccc23)cc1 5530078 WKCKIKHYEIGPSJ-UHFFFAOYSA-N 304.309 2.110 0 40 DEAB CCc1cc2c(=O)n(Cc3cnn(C)c3)c(=S)[nH]c2s1 17031376 LMFALAFLGZAWDF-UHFFFAOYSA-N 306.416 2.465 0 40 DEAB Cc1cc2nc([C@@H]3CCCN(Cc4ccncc4)C3)cc(N)n2n1 19129361 YTULZVIRZWXXJO-OAHLLOKOSA-N 322.416 2.395 0 40 DEAB Cn1nccc1C(=O)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 169750670 HNJBNZIXCHDPEH-CYBMUJFWSA-N 323.356 2.100 0 40 DEAB CC(C)n1nccc1C(=O)N1CCO[C@@H](c2ccncc2)C1 1848355480 YCDYBZXVXHGZAI-OAHLLOKOSA-N 300.362 2.073 0 40 DEAB COc1ccnc(N2CCC(COc3ccnc(C)c3)CC2)n1 1775995335 OOMGXTXUYUCGCE-UHFFFAOYSA-N 314.389 2.484 0 40 DEAB Cc1nc2ccccc2c(=O)n1C[C@H](O)COCc1ccccc1 31560754 GNQSQHAJWZNKPJ-INIZCTEOSA-N 324.380 2.283 0 40 DEAB CC(C)[C@@H](Cn1nccn1)NC(=O)Cn1ccc2ccccc21 238863442 LFHZYVWDXAMOLZ-OAHLLOKOSA-N 311.389 2.074 0 40 DEAB Cc1cccc(NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)n1 4272565 RFFOBCPEUSBYAB-ZDUSSCGKSA-N 310.357 2.317 0 40 DEAB Cc1ccc(CN2CCC[C@H](N(C)S(=O)(=O)C3CC3)C2)cc1 2086889485 HVMOSTSDEHMOED-INIZCTEOSA-N 322.474 2.383 0 40 DEAB O=C(NCc1ccccc1)N[C@H]1OC(=O)C(Cl)=C1Cl 365906 QHZVMKJIDSFRHU-JTQLQIEISA-N 301.129 2.058 0 40 DEAB O=C(Nc1nc2ccccc2s1)N[C@H]1CCCCNC1=O 45668781 GYQGRDWWGQHNFP-JTQLQIEISA-N 304.375 2.087 0 40 DEAB CCCCc1nc(C)c(C(=O)N2CCC(C(N)=O)CC2)s1 40523296 WXVJSAYHKOPAEG-UHFFFAOYSA-N 309.435 2.132 0 40 DEAB CN(C)S(=O)(=O)[C@@H](C(=O)Nc1ccccc1)c1ccccc1 1717709 AXCJSNBFFUPXKM-OAHLLOKOSA-N 318.398 2.258 0 40 DEAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(C)o1)C2 32089256 LRTBYMVQRAOYFC-GFCCVEGCSA-N 306.343 2.295 0 40 DEAB CCN(CC)C(=O)[C@H]1C(=O)N(C)[C@]2(C)C[C@H]1c1ccccc1O2 3904140 RRVBXHVFYDCHHE-JOQOYGCGSA-N 316.401 2.226 0 40 DEAB CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6541586 NRZDLAVNUMPIIS-ZDUSSCGKSA-N 324.446 2.002 0 40 DEAB 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3512894 AKNSSMUJSDJMMB-UHFFFAOYSA-N 323.732 2.415 0 40 DEAB CCC[C@H](NC(=O)[C@H](C)Sc1nnnn1C)c1ccccc1 8508111 UJVPMIOHLQDVQQ-AAEUAGOBSA-N 319.434 2.348 0 40 DEAB COC(=O)c1ccc(OC(C)C)c(NC(=O)N2CCOCC2)c1 63784847 AWLJBRUXQLCZEM-UHFFFAOYSA-N 322.361 2.125 0 40 DEAB O=C1CC[C@H](C(=O)NCC2(c3cccs3)CCCCC2)N1 49521076 BBZQDNBMLJUPGE-GFCCVEGCSA-N 306.431 2.345 0 40 DEAB O=C1Nc2cc(Br)ccc2[C@]1(O)c1ccccc1O 4110367 WLDGKMDRSCCBRJ-AWEZNQCLSA-N 320.142 2.343 0 40 DEAB O=C(O)[C@]1(O)c2ccccc2N=C(S)N1Cc1ccccc1 6190243 RUHDGFSTNVIPGD-MRXNPFEDSA-N 314.366 2.349 0 40 DEAB C[C@@H]1CN(C(=O)NCCc2ccc(N(C)C)cc2)C[C@@H](C)O1 69416569 KMEXWCJROJMRGL-ZIAGYGMSSA-N 305.422 2.114 0 40 DEAB C[C@@H](Sc1nncn1C)C(=O)N[C@H](C)c1ccc(F)cc1 5126598 XRERXZMRKWCJKS-NXEZZACHSA-N 308.382 2.312 0 40 DEAB CCN(CC)C(=O)CN1C(=O)c2cccc3cccc(c23)C1=O 5259261 OJCKCWMHUKZUPR-UHFFFAOYSA-N 310.353 2.304 0 40 DEAB COC(=O)c1ccc(N2CCN(C(=O)C3CCC3)[C@H](C)C2)cc1 65595790 ZFGQUXAHQSJOPU-CYBMUJFWSA-N 316.401 2.310 0 40 DEAB CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@@H]1CCOC1 65591053 MSOHSNUHCGIBFG-KGLIPLIRSA-N 305.374 2.102 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](n2cccn2)C1 65609738 UDGZFYBHSGOTRN-HNNXBMFYSA-N 315.421 2.030 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)Cc1c(F)cccc1Cl 6540619 UPULFOJAETXBNM-VIFPVBQESA-N 300.761 2.053 0 40 DEAB O=C(CSc1cccc[n+]1[O-])N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924766 HXOQDWUFTHNGRY-DGKWVBSXSA-N 318.442 2.449 0 40 DEAB Cc1csc(C2CCN(C(=O)c3ccc(=O)[nH]c3)CC2)n1 69774918 WSWCIOQCZJFHPW-UHFFFAOYSA-N 303.387 2.160 0 40 DEAB CS(=O)(=O)c1ccc(N2CCC[C@H](C(=O)O)C2)c(Cl)c1 15443234 HIVMFHRRCYJFBK-VIFPVBQESA-N 317.794 2.045 0 40 DEAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)O)sc1C 91047807 OOWJLJMRSKGJBF-PWSUYJOCSA-N 303.449 2.289 0 40 DEAB CC[C@@H]1C(=O)NCCN1C(=O)Nc1cc(Cl)ccc1N(C)C 89948217 KUTVISBHUHHXPA-GFCCVEGCSA-N 324.812 2.148 0 40 DEAB CCOC(=O)CCN(CC1CC1)C(=O)[C@@H]1CCCc2cn[nH]c21 89983693 IKPMHNKRKFWKHK-CQSZACIVSA-N 319.405 2.021 0 40 DEAB CC(C)n1cc2c(n1)[C@H](NC(=O)c1nccn3ccnc13)CCC2 96002804 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2.218 0 40 DEAB COc1ccc(OC)c(CCNC(=O)c2cnc(Cl)cn2)c1 89432602 RWBSMOVDHPJECE-UHFFFAOYSA-N 321.764 2.120 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCO[C@@H]2CCCC[C@H]21 79314376 ZOEOICXHOBEAER-HZPDHXFCSA-N 312.369 2.312 0 40 DEAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)CCS(C)(=O)=O)c(C)o1 89580440 QPLRWSUBGDXCSX-MWLCHTKSSA-N 316.423 2.080 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cn2cccnc2n1 75130415 IAGFULFTIUKVAB-AWEZNQCLSA-N 324.388 2.057 0 40 DEAB CCN(CC)C[C@H]1CN(Cc2cccc(C)n2)Cc2cncn21 306128097 GPZCSECGYGIHLC-SFHVURJKSA-N 313.449 2.485 0 40 DEAB CC1(C)CCN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)CC1 1551561097 MOIUIAJPIWYLBA-KGLIPLIRSA-N 319.371 2.360 0 40 DEAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(C)O1 409044927 DIURSJFUFPQRDU-OQMKEHIESA-N 319.744 2.182 0 40 DEAB C[C@@H]1COCC[C@H]1CNC(=O)NC[C@@H]1CCN1C1CCCCC1 527933619 QZDUJUVLKXAEII-VYDXJSESSA-N 323.481 2.365 0 40 DEAB CCc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227708 BPIQIQZHNQQPPO-QZTJIDSGSA-N 324.380 2.435 0 40 DEAB COc1ccc(C(=O)Cn2nc(-c3ccccc3)oc2=O)cc1 32117914 DZXPBZNHXXIUAC-UHFFFAOYSA-N 310.309 2.395 0 40 DEAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 72227967 NMGLGAHYUFVYGD-GJZGRUSLSA-N 316.744 2.484 0 40 DEAB COCCN1Cc2cc3c(C)cc(C)cc3nc2OCC1=O 72346411 QUYWCTOHYAQRRN-UHFFFAOYSA-N 300.358 2.219 0 40 DEAB CC(C)C12CN3CC(C)(CN(C1)C3c1ccc(O)cc1)C2=O 32124179 UGQQBANBXVROOF-UHFFFAOYSA-N 300.402 2.253 0 40 DEAB biogenic COc1cc(C)c(Br)cc1NC(=O)N[C@@H](C)CO 184544966 JNZSHSKNNMXRPM-QMMMGPOBSA-N 317.183 2.268 0 40 DEAB O=C(O)c1ccccc1OCCN1CCC2(CCOCC2)C1 319081503 BQAPFEDTSGXCFW-UHFFFAOYSA-N 305.374 2.266 0 40 DEAB COCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42645997 NXBLAXKBTCWORY-UHFFFAOYSA-N 305.161 2.085 0 40 DEAB C[Sn](C)(Br)Br 195761291 DOHQOGRRQASQAR-UHFFFAOYSA-L 308.589 2.478 0 40 DEAB in-vitro Cc1ccc(OCCC(=O)NCCCN2CCCC2=O)cc1C 40086489 YTIHUCGVBYVLCE-UHFFFAOYSA-N 318.417 2.201 0 40 DEAB O=C(C1CC1)N1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225483671 LYTNGXMFSRFARK-ZDUSSCGKSA-N 304.321 2.293 0 40 DEAB biogenic,in-vitro C[C@H]1CN(c2ccnc(C(=O)Nc3ccccn3)c2)C[C@@H](C)O1 194381594 MWWOCZKAAGTPSZ-BETUJISGSA-N 312.373 2.343 0 40 DEAB C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCCNC(=O)C1CCCC1 96407207 BRZKPIUSQYAFTP-YCPHGPKFSA-N 324.465 2.393 0 40 DEAB O=C(O)c1cn2c(n1)-c1ccc(Br)cc1OCC2 95803817 IRSCQONAQHCRLC-UHFFFAOYSA-N 309.119 2.403 0 40 DEAB COCCN1C[C@@H](C)[C@@]2(COCCN(Cc3ccsc3)C2)C1 96202377 NCLVSURAJHLUIN-WBVHZDCISA-N 324.490 2.165 0 40 DEAB O=C1[C@H]2CCCN2C(=O)N1Cc1csc(Br)c1 48609818 ZDJKEVXGZYHPHH-MRVPVSSYSA-N 315.192 2.437 0 40 DEAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2ccnn2C)o1 97094803 XYQJJMLLXWRNIP-AWEZNQCLSA-N 318.377 2.206 0 40 DEAB Cn1ccc(C(=O)N[C@H]2CCC23CCN(CC2CC2)CC3)c1 96051729 PEVCKBBOFWVAJW-INIZCTEOSA-N 301.434 2.410 0 40 DEAB CN1CCC[C@H](CNC(=O)c2cc[nH]n2)[C@@H]1c1cccs1 96423077 USPNYDKQFHOGAP-BXUZGUMPSA-N 304.419 2.284 0 40 DEAB O=C(NCCc1cc(F)ccc1F)N1CC[C@H](N2CCCC2)C1 96447367 GZFICNMRJVMOAY-HNNXBMFYSA-N 323.387 2.387 0 40 DEAB C[C@@H](NC(=O)N1CCCN(CC(F)F)CC1)c1ccco1 96487625 LBIOLAOVRGIANO-LLVKDONJSA-N 301.337 2.323 0 40 DEAB Cc1ccc(CN2C[C@H](OCCN(C)C)[C@H]3OCCC[C@H]32)s1 96057452 AHHGRQIYKYUQRY-IKGGRYGDSA-N 324.490 2.367 0 40 DEAB COCc1nsc(N2CCN(c3ccccc3OC)CC2)n1 266867719 RFVKYQOBYPJNHV-UHFFFAOYSA-N 320.418 2.020 0 40 DEAB Cc1nccc(NCc2cn(-c3ccccc3C(=O)O)cn2)n1 257264319 LTWQJCDZRIADJG-UHFFFAOYSA-N 309.329 2.281 0 40 DEAB Cc1cc(CC[C@H]2CN(Cc3nccs3)CCO2)ncn1 257304553 SMEBNCHYIRAQRX-AWEZNQCLSA-N 304.419 2.075 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1 257275578 NPYHRTPASBIHJP-MRXNPFEDSA-N 322.368 2.480 0 40 DEAB COc1cccc(OC)c1CN1CCC2(CC1)OCCC[C@@H]2O 257318333 VNLLIDFKPVWKQB-KRWDZBQOSA-N 321.417 2.210 0 40 DEAB c1cnc([C@H]2CCCN2Cc2ccnc(N3CCCC3)n2)cn1 257313896 UUPDYMQIKCKNRF-MRXNPFEDSA-N 310.405 2.204 0 40 DEAB O=C(NC[C@@H]1CCOC1)c1cc(-c2cccc(Cl)c2)[nH]n1 41366251 NTXRPEBOATZXMQ-JTQLQIEISA-N 305.765 2.496 0 40 DEAB CC[C@@H](C)[C@H](CO)NC(=O)c1sc(-n2cccc2)nc1C 575443353 VGYZCEXOEPYVEU-PWSUYJOCSA-N 307.419 2.379 0 40 DEAB Nc1cc(Br)c(I)cc1N 575721985 BQSAZYDBXOOOEM-UHFFFAOYSA-N 312.936 2.218 0 40 DEAB Cc1ncc(S(=O)(=O)N2c3ccccc3CC2(C)C)n1C 585124197 XUJWWPIDOQULEZ-UHFFFAOYSA-N 305.403 2.259 0 40 DEAB COCCN1CC[C@@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 68491988 WKSAVDXVOWLNIJ-GJZGRUSLSA-N 322.424 2.404 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c2c(C)n[nH]c2n1 69374123 NFUMXWIHORCDAU-CYBMUJFWSA-N 324.388 2.249 0 40 DEAB COCCNC(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96099252 PMUPZWFUPJASME-UHFFFAOYSA-N 320.437 2.323 0 40 DEAB O=C(O)C1(NS(=O)(=O)c2cccc(Cl)c2)CCCC1 37367334 SJVVKIHQTZBSIB-UHFFFAOYSA-N 303.767 2.016 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 5696799 UTWQKXGNLFEXNL-AYYATWNNSA-N 306.450 2.337 0 40 DEAB CC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2cc(C)no2)C1 12154598 BLFOUPCWIFLUNT-CYBMUJFWSA-N 300.362 2.474 0 40 DEAB Cc1nc(O)c2c(n1)CN(Cc1coc3ccccc3c1=O)CC2 19576643 GKMUYKPPUOJTLA-UHFFFAOYSA-N 323.352 2.155 0 40 DEAB CNc1cc(CCNC(=O)C2CCC2)nc(-c2ccncc2)n1 19592298 IDZYJTFZRAOXCT-UHFFFAOYSA-N 311.389 2.039 0 40 DEAB COc1ccc(C(=O)NCC2(OC)CCSCC2)cc1F 225593487 MKBXGHXINSQSQC-UHFFFAOYSA-N 313.394 2.476 0 40 DEAB Cc1cc(N2CCC(CNC(=O)C3CCOCC3)CC2)ccn1 245039126 OGQQFJMBNAXPRG-UHFFFAOYSA-N 317.433 2.149 0 40 DEAB C[C@@H](NC(=O)CCc1nnc(-c2ccsc2)o1)[C@@H]1CCCO1 27896470 ZQGDUTLHGQGBKC-PWSUYJOCSA-N 321.402 2.414 0 40 DEAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cnn(C)c1 244975116 ICGLHWAJBZUCEJ-LLVKDONJSA-N 319.386 2.076 0 40 DEAB Nc1nccnc1C(=O)N1CCc2cc(Br)ccc21 49342625 LFFWEOAGZWMTBK-UHFFFAOYSA-N 319.162 2.024 0 40 DEAB COC(=O)c1oc2ccccc2c1NC(=O)CN1CCCC1 52929 XSPRDAAAUWZMAG-UHFFFAOYSA-N 302.330 2.254 0 40 DEAB CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4694679 GAIPMOXRVCMHCE-CQSZACIVSA-N 314.345 2.139 0 40 DEAB O=C1NCCN1C(=O)N1CCS[C@@H](c2cccs2)CC1 219538532 MARYPPYSTRKGJP-LLVKDONJSA-N 311.432 2.373 0 40 DEAB C[C@H]1CN(C(=O)CCCn2c(=O)oc3ccccc32)[C@H](C)CO1 40498998 JADFJTYWBQMBNV-OLZOCXBDSA-N 318.373 2.011 0 40 DEAB COc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1 412977 OMJVCRGVIDQNLD-UHFFFAOYSA-N 318.402 2.432 0 40 DEAB CN1CCO[C@@H](CNCC2=Cc3cc(Cl)ccc3OC2)C1 69349465 MSZPNONKZSUUMN-HNNXBMFYSA-N 308.809 2.036 0 40 DEAB COCc1ccccc1C(=O)N1CCN(c2nccs2)CC1 28937744 SVOOJPXDRZMLPU-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB c1coc(-c2nnc(CN3CCN(C4CCCC4)CC3)o2)c1 45753706 PXUYGYRUYLKGTH-UHFFFAOYSA-N 302.378 2.390 0 40 DEAB O=C1SCCN1CC(=O)N1CCCc2cc(F)c(F)cc21 40509218 JPJCHPWEJUJERF-UHFFFAOYSA-N 312.341 2.413 0 40 DEAB CCN(CC)CCOC(=O)c1cc(OC)c(OC)cc1OC 1646543 CFKYSBSLMFLDIA-UHFFFAOYSA-N 311.378 2.211 0 40 DEAB Cn1c(NN)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 295396 LMVRKAYGIPEWRZ-UHFFFAOYSA-N 310.401 2.491 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 255731 RBAIAHWJSWIAES-LLVKDONJSA-N 324.336 2.318 0 40 DEAB CCCc1cc(C(=O)OCC)c(NC(=O)/C=C\C(=O)O)s1 101253852 HZIREAUKVMPFQQ-SREVYHEPSA-N 311.359 2.457 0 40 DEAB O=C(CSc1nnc(C2CC2)o1)NC(=O)c1cccs1 8245279 NRVIUNKAWHEJGR-UHFFFAOYSA-N 309.372 2.057 0 40 DEAB COc1cc(C)c(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1OC 102478543 MFGFERHAIUGCOY-OKILXGFUSA-N 315.369 2.463 0 40 DEAB CN1CCCN(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 32963983 XNNGDGCEGNKRFR-QGZVFWFLSA-N 318.417 2.022 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)c1 69709342 UTMICRILAUNJID-HNNXBMFYSA-N 313.405 2.130 0 40 DEAB CC(C)S(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 53645251 HARRZOYTKKEBMP-UHFFFAOYSA-N 324.446 2.141 0 40 DEAB COc1ccc(Br)c(C(=O)Nc2ccn(C)n2)c1 23673561 XRCWSTDXUTYIFV-UHFFFAOYSA-N 310.151 2.444 0 40 DEAB CN(C)C(=O)CCCS(=O)(=O)c1ccc2ccccc2c1 47619960 GXBTWXZDWXYAAQ-UHFFFAOYSA-N 305.399 2.482 0 40 DEAB COc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 170341238 CQDWIHSDRYQNTM-CJNGLKHVSA-N 318.417 2.049 0 40 DEAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1cnn(C)c1 55588773 NIVZNBONGFRJQX-UHFFFAOYSA-N 323.374 2.043 0 40 DEAB O=C(NCCc1cccc2cccnc12)c1ccc2[nH]nnc2c1 12506919 AALCYKVUMBLNGS-UHFFFAOYSA-N 317.352 2.479 0 40 DEAB O=C(COC(=O)c1ccc(F)cc1F)NCCc1ccccc1 3246799 NGIUOLNAUHGTSJ-UHFFFAOYSA-N 319.307 2.481 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CNC2CCCCC2)cc1 26533356 CLRAHLMBIBUIOI-MRXNPFEDSA-N 306.406 2.307 0 40 DEAB COC(=O)CSc1nc(COc2ccc(Cl)cc2)n[nH]1 21112208 JTTWCAZCXAZFNU-UHFFFAOYSA-N 313.766 2.302 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCN(c2ccccc2O)CC1 26527918 LZMKVJBYNPHCSB-UHFFFAOYSA-N 305.765 2.336 0 40 DEAB O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCSCC1 58023483 RRBBIKXZRJLRSC-UHFFFAOYSA-N 321.402 2.220 0 40 DEAB C[C@H](Sc1ccccc1Cl)C(=O)NCCC(=O)N(C)C 58193943 DNHARXWMPMCVGO-JTQLQIEISA-N 314.838 2.415 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccccn1 58210770 HIBDFNIMQSQIKT-QGZVFWFLSA-N 323.396 2.045 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)o1 58244704 UMQBQKHSUHWMHB-QMMMGPOBSA-N 301.302 2.217 0 40 DEAB CC[C@@](C)(NC(=O)CCc1cc(OC)cc(OC)c1)C(=O)OC 58268312 SZHYKGFBUIQVGF-QGZVFWFLSA-N 323.389 2.094 0 40 DEAB COc1c(CNCc2ccccc2-n2ccnc2)c(C)nn1C 58299762 GCNJUZHPIOAHRQ-UHFFFAOYSA-N 311.389 2.213 0 40 DEAB COc1ccccc1[C@H](NC(=O)N1CCCC1)c1nccn1C 44909130 OOLTYWOQXKKTSI-HNNXBMFYSA-N 314.389 2.324 0 40 DEAB C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1)C2=O 3319955 WBVAAHUOXIIKBH-SJKOYZFVSA-N 315.373 2.126 0 40 DEAB O=C(NC[C@H]1CCOC1)c1cccc(OCc2cscn2)c1 48286362 TUTLQOIKPVQVDQ-GFCCVEGCSA-N 318.398 2.488 0 40 DEAB COc1ccccc1N1CCN([C@H](C)c2nnc(C)o2)CC1 48274436 VZMGZAOKAVHMDS-GFCCVEGCSA-N 302.378 2.270 0 40 DEAB Cc1cnn(C[C@@H]2CN(c3ncnc4ccccc34)CCO2)c1 69451553 ZRZYYMHARVWASL-AWEZNQCLSA-N 309.373 2.040 0 40 DEAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c1 3521395 TZAQIUNGQLGDAR-NSHDSACASA-N 318.373 2.249 0 40 DEAB COc1ccc(OCC(=O)N2CCC(C)CC2)c(C(=O)O)c1 13086719 FTIMHQPQASEHNK-UHFFFAOYSA-N 307.346 2.031 0 40 DEAB C/N=c1\sc2ccccc2n1C[C@H](O)COCc1ccco1 13116143 JZUZUUAVULQWEX-ICDILTBESA-N 318.398 2.404 0 40 DEAB COCCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=N 4014531 KTXDNRXUDNGYKT-UHFFFAOYSA-N 309.391 2.232 0 40 DEAB CC[C@H](CCNC(=O)c1cc(C)ccc1O)N1CCCC1=O 69559944 DAUGCWDTJNANSN-CYBMUJFWSA-N 304.390 2.222 0 40 DEAB CCOc1ccccc1C(=O)Nc1nc(CC(C)=O)ns1 4248138 VUIADBPDNYOESK-UHFFFAOYSA-N 305.359 2.321 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)C(=O)O 6168475 AIAREYYQCBHEMF-HZMBPMFUSA-N 324.377 2.002 0 40 DEAB COC(=O)CCCN1CCC[C@H](C(=O)NC2CCCCC2)C1 69919865 BLFFOUYQQPZHCC-AWEZNQCLSA-N 310.438 2.101 0 40 DEAB COCCn1ccc(NC(=O)Nc2cccc(C(C)=O)c2)n1 65552294 IAVMKCXJSIKOGO-UHFFFAOYSA-N 302.334 2.376 0 40 DEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cccc(F)c1)n2C 6510733 LXLPUYQXROEDPH-UHFFFAOYSA-N 316.336 2.030 0 40 DEAB CCN(CC)C(=O)C1(NC(=O)C2CCOCC2)CCCCC1 65805272 HGRKSHSAWYYYNE-UHFFFAOYSA-N 310.438 2.101 0 40 DEAB COC(=O)c1cnc(NC(=O)Cc2cccc(OC)c2)s1 8940817 RAXVWXRNSPWXBA-UHFFFAOYSA-N 306.343 2.120 0 40 DEAB Cc1cc([C@H](C)NCc2cnc(N3CCOCC3)nc2)c(C)o1 67506534 KWNXYJBTADNZKP-ZDUSSCGKSA-N 316.405 2.374 0 40 DEAB COc1c(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)c(C)nn1C 96006954 YRUJXFOCENRZIK-CYBMUJFWSA-N 317.389 2.129 0 40 DEAB COc1ccc(C)cc1NC(=O)c1c(C)oc2nc[nH]c(=O)c12 7738493 MGFBGQQSOKVSEZ-UHFFFAOYSA-N 313.313 2.394 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N2C[C@@H](C)OC(C)(C)C2)n1 68548137 AVOIDCSWCWYXTN-SWLSCSKDSA-N 322.453 2.345 0 40 DEAB COc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 8234521 JWFVJMBBBSKNKE-LBPRGKRZSA-N 302.374 2.425 0 40 DEAB C[C@H](O)CN1CCN(CCOc2cccc3ccccc23)CC1 70037011 DKZSSEMKYYDYTB-INIZCTEOSA-N 314.429 2.217 0 40 DEAB O=C(NN1C(=O)c2ccccc2C1=O)[C@H]1CCCc2ccccc21 70005650 YKYXHQWEKKTAOT-AWEZNQCLSA-N 320.348 2.434 0 40 DEAB COC(=O)C1(NC(=O)Cc2ccccc2OC)CCCCC1 25170776 LHPAJRPGHQXFGA-UHFFFAOYSA-N 305.374 2.230 0 40 DEAB C[C@H]1CN(Cc2ccc(F)c3cccnc23)CCN1C[C@@H](C)O 71864508 BZKVNKBTUICIPW-UONOGXRCSA-N 317.408 2.261 0 40 DEAB O=C(CC[C@@H]1CCCO1)NCC1(N2CCCCC2)CCOCC1 71893344 YDOJWXWSUQAVBZ-INIZCTEOSA-N 324.465 2.097 0 40 DEAB O=C(OCc1cnn(-c2ccccc2)n1)c1cccc(CO)c1 71834797 YIBRZDMUQGBDBU-UHFFFAOYSA-N 309.325 2.117 0 40 DEAB O=C(OC1(C2CC2)CC1)c1cccc(-n2nc(O)ccc2=O)c1 83771043 TXDSYUOVWJSSIJ-UHFFFAOYSA-N 312.325 2.038 0 40 DEAB CCC(CC)NC(=O)Nc1cc(S(=O)(=O)NC)ccc1C 71950726 CVVTULJULLAKSR-UHFFFAOYSA-N 313.423 2.213 0 40 DEAB Cc1ccc([C@H](NCCN2C(=O)CNC2=O)c2ccccc2)cc1 84148708 CQNPVFWRTLVPIE-GOSISDBHSA-N 323.396 2.226 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 72235360 AEOAHGIVHHYVGJ-CYBMUJFWSA-N 315.377 2.238 0 40 DEAB Cc1cnn(CCNCC(=O)N[C@@H](c2ccccc2)C2CC2)c1 72253114 HUYAEBADRHMQMQ-SFHVURJKSA-N 312.417 2.049 0 40 DEAB CC(=O)O[C@H]1C(=O)N(C(=O)OC(C)(C)C)[C@H]1c1ccccc1 21982886 UXAJYQMKDOKJIF-QWHCGFSZSA-N 305.330 2.437 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COCC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 72245364 OUHNCZYRNPGRBY-FPCVCCKLSA-N 324.465 2.012 0 40 DEAB CCN(CC)C(=O)[C@H](C)Sc1nnc(-c2ccncc2)o1 97055101 HZFZETYEZFUFET-JTQLQIEISA-N 306.391 2.481 0 40 DEAB Cn1c(C2CC2)nc2c1CCN(Cc1nnsc1Cl)C2 84310884 JRXFCMCHBHDPCV-UHFFFAOYSA-N 309.826 2.361 0 40 DEAB Cc1cnn(-c2ccc([C@H](C)NC(=O)[C@@H]3CCCN3)cc2F)c1 72500778 GQMRLCPXUISRCN-WFASDCNBSA-N 316.380 2.249 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)N[C@@H](CO)c1ccco1 84505937 ZUQFZNVCBFBYRZ-LBPRGKRZSA-N 315.778 2.086 0 40 DEAB Cn1cc([C@H](O)CN[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 95423301 BCKMMLAXHHBIGE-HZPDHXFCSA-N 313.401 2.490 0 40 DEAB CN(CC(=O)NC(C)(C)C)Cc1nc(-c2ccccc2)c[nH]1 95972738 AWIGJADKQJKDQX-UHFFFAOYSA-N 300.406 2.423 0 40 DEAB COc1csc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 95980295 FUNFCBSYJXBFGD-GFCCVEGCSA-N 321.402 2.310 0 40 DEAB OC[C@@]1(NC[C@@H](O)c2ccccc2F)CCc2ccccc21 95980397 RJXKXSNGHTXWMQ-MSOLQXFVSA-N 301.361 2.283 0 40 DEAB Cc1nc(C)c(CNC(=O)N[C@H]2c3ccccc3C[C@H]2O)s1 74665407 PRPOWZCYLIWBJM-HIFRSBDPSA-N 317.414 2.217 0 40 DEAB C[C@@H](C1CC1)N(C(=O)CNC(=O)c1cc(F)cc(F)c1)C1CC1 124297215 JPBRROMCGIIFFX-JTQLQIEISA-N 322.355 2.484 0 40 DEAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CN1CCOCC1 408718430 XRCHHSKYDJTAPB-UKTHLTGXSA-N 322.361 2.152 0 40 DEAB CCN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1NCc2ncncc21 1553391309 AWRYFTLDWZJNSY-OAHLLOKOSA-N 316.792 2.323 0 40 DEAB O=C(O)c1ccc(OCCNC(=O)c2ccc(Cl)o2)cc1 537484487 MZHXONHFSVVQPJ-UHFFFAOYSA-N 309.705 2.440 0 40 DEAB C[C@H](N)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225571 XWAWZEZWBPDDPY-LBPRGKRZSA-N 306.410 2.158 0 40 DEAB O=C([C@@H](CNCc1ccco1)c1ccccc1)N1CCOCC1 78553760 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40 DEAB CCO[C@H]1C[C@H](N(C)CC(=O)Nc2nncs2)C12CCCC2 96419688 ZDJNVXYQISRQQR-RYUDHWBXSA-N 324.450 2.146 0 40 DEAB O=C(c1ccc[nH]1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96063605 IJFCUAKRXWKQJB-UHFFFAOYSA-N 323.396 2.110 0 40 DEAB CO[C@H]1CCN(CC2CC2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96205903 QPRPFIMMKKWKRV-KSZLIROESA-N 301.434 2.013 0 40 DEAB COCCOc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)ccn1 96494960 LVNBRARNCGYCHU-HNNXBMFYSA-N 315.373 2.412 0 40 DEAB Cc1cccc(C(=O)N2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n1 96220016 YYCUDMLDVXDLPF-MAUKXSAKSA-N 316.401 2.190 0 40 DEAB O=C(/C=C/c1ccco1)N[C@H](Cn1nccn1)c1ccccc1 244986051 JDJIINSSZVTQGK-MRXNPFEDSA-N 308.341 2.442 0 40 DEAB COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@@H]1C 248992036 YMVQUGMFAJDIKB-NWANDNLSSA-N 316.401 2.167 0 40 DEAB COc1ccc([C@H]2CN(c3cnccn3)[C@@H]3CCNC[C@H]23)cc1 257213629 CIKPMIMNIYFQJX-BRWVUGGUSA-N 310.401 2.067 0 40 DEAB COc1ccc(OCC(=O)N2CC[C@@H](c3nc(C)c[nH]3)C2)cc1 257231567 GHGSCVZZGRYNMJ-CYBMUJFWSA-N 315.373 2.122 0 40 DEAB 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320.370 2.316 0 40 DEAB Nc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 5749516 CWBHAAQUYYLMAC-UHFFFAOYSA-N 302.331 2.129 0 40 DEAB CC(C)(C)OC(=O)N(Cc1ncccn1)Cc1ncccn1 2056114651 ORTDNIIBJRQBPH-UHFFFAOYSA-N 301.350 2.204 0 40 DEAB COCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50081854 JXFSSUQVYXOAEJ-CHWSQXEVSA-N 307.394 2.068 0 40 DEAB CN(C)S(=O)(=O)c1ccccc1CNCc1ccccc1F 30657960 ZQBVOVDIVDFYDB-UHFFFAOYSA-N 322.405 2.366 0 40 DEAB COC(=O)c1cccc(OCc2cc(=O)n3c(C)cccc3n2)c1 40479291 QGJOTLULPPTTLO-UHFFFAOYSA-N 324.336 2.369 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)C[C@H]2C(=O)Nc3ccccc32)cn1 100812041 WBBWCSVCIYKTAR-GDBMZVCRSA-N 324.384 2.210 0 40 DEAB C[C@@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)C1CC1 9155925 VIZPBRASUBOHRS-SNVBAGLBSA-N 302.403 2.479 0 40 DEAB CC(C)NC(=O)[C@H](C)N1CCN(c2ccccc2Cl)CC1 8162162 KPNYIQKQDYYPPK-ZDUSSCGKSA-N 309.841 2.375 0 40 DEAB O=C1N[C@@H](c2cccc3c2OCO3)N=C2Oc3ccccc3C=C12 2031683 SCVINILJQJYXLK-MRXNPFEDSA-N 320.304 2.418 0 40 DEAB CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@H]2[C@H](C1)C2(C)C 101838333 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NC(=O)c1ccccc1NCC(=O)NCCC1=CCCCC1 24225370 ZCDPNOVVAIPMOE-UHFFFAOYSA-N 301.390 2.204 0 40 DEAB NC(=O)Cc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 24489506 NDPNSBYLGNKWHW-UHFFFAOYSA-N 322.368 2.162 0 40 DEAB NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1 106640599 SGEXYYLACPGUDX-ZNMIVQPWSA-N 304.365 2.186 0 40 DEAB Cc1nnc(NC(=O)NCCN2CCc3ccccc3C2)s1 43407944 WSPPBGDPUFGATA-UHFFFAOYSA-N 317.418 2.026 0 40 DEAB Cc1ccc(CCC2CCN(C(=O)[C@H](C)NC(N)=O)CC2)cc1 25442295 NPAGTBZDCRYAOU-AWEZNQCLSA-N 317.433 2.223 0 40 DEAB COc1cc(CNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1C(=O)O 108130076 FMYVNRGZPLXYMP-JKOKRWQUSA-N 303.358 2.446 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc[n+]([O-])cc1 3276497 CALOFEGBKONXCH-UHFFFAOYSA-N 320.732 2.077 0 40 DEAB CCN1CCC[C@H]1CNC(=O)Cc1c(C)nn(CC(C)C)c1C 44890051 UVVHBNAJLVUNMC-INIZCTEOSA-N 320.481 2.299 0 40 DEAB CCN(CC)C(=O)N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 44917136 HWGXYOHLFFZVQM-CYBMUJFWSA-N 323.441 2.333 0 40 DEAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1ccc(Cl)cc1Cl 62712141 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COc1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1 3430374 JXRFXIIFYHNVAN-UHFFFAOYSA-N 305.355 2.351 0 40 DEAB COC(=O)c1cc(CNC(=O)c2ccc(C)o2)ccc1OC 18059295 PVTKBPIOBKSVSO-UHFFFAOYSA-N 303.314 2.313 0 40 DEAB C[C@H](SCc1ccccc1)C(=O)NCc1cc[nH]c(=O)c1 69569376 LAHCAQYHXUYRLR-LBPRGKRZSA-N 302.399 2.313 0 40 DEAB O=C(/C=C/c1cnc2ccccc2n1)OCC(=O)c1ccc[nH]1 14075885 IRVGHSUKNRFVSV-BQYQJAHWSA-N 307.309 2.397 0 40 DEAB C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc2c(c1)OCCO2 8777038 FJIWOFIEJLIMLG-SNVBAGLBSA-N 324.340 2.220 0 40 DEAB CC(C)Oc1ccc(CNC(=O)NCCO)c(C(F)(F)F)c1 65603949 NBWNSWKGSDTJKD-UHFFFAOYSA-N 320.311 2.284 0 40 DEAB COC[C@]1(C)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 66084023 LQNAAAFVNBVBBI-ZDUSSCGKSA-N 316.279 2.162 0 40 DEAB COc1cc2c(cc1OC)C1=NC(=O)[C@H](C(C)C)N1C(=S)N2 5721004 FHBHLESUTOJOLJ-LBPRGKRZSA-N 319.386 2.028 0 40 DEAB COC(=O)C1=C(C)N(C)C(=S)N(C)[C@H]1c1ccc(OC)cc1 5861824 ZQYXBIRISBRGGX-AWEZNQCLSA-N 320.414 2.345 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)c1 68431731 CQUUHTSBAPRVMX-KGLIPLIRSA-N 314.345 2.341 0 40 DEAB CCOc1ncccc1C(=O)O[C@@H](C)C(=O)NC1CCCCC1 7813608 DBICZODULNSGHT-LBPRGKRZSA-N 320.389 2.475 0 40 DEAB CCOC(=O)c1cc(C)n(CC(=O)Nc2nccs2)c1C 8007636 RCXAFWAFBNXXBC-UHFFFAOYSA-N 307.375 2.377 0 40 DEAB O=C(CSc1ncnc2sccc12)NC[C@H]1CCCO1 9575768 LNERTDNWZAZTTG-SECBINFHSA-N 309.416 2.079 0 40 DEAB O=C(O)[C@@H]1CCC(=O)N(CCc2cccnc2)[C@H]1c1ccco1 71857695 LIHHRTBNNKQDKQ-CZUORRHYSA-N 314.341 2.282 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 71890995 WXQYPRSCHJZODS-ZDUSSCGKSA-N 322.368 2.271 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCOc1ccc(Cl)cc1 71830121 HFQUPNWRWNDCRR-VXGBXAGGSA-N 324.808 2.221 0 40 DEAB O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1c[nH]ccc1=O 72282055 OVHKVNVDNZYDCG-UHFFFAOYSA-N 313.288 2.350 0 40 DEAB CO[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(n2ccnc2)CC1 83897682 SWRDJZWYQWGPJH-LSDHHAIUSA-N 306.410 2.187 0 40 DEAB CC(=O)N[C@H](C)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 97080325 DFFIMGHKUIMIPC-GFCCVEGCSA-N 302.418 2.393 0 40 DEAB O=C1C[C@]2(CCc3ccccc32)C(=O)N1Cc1nc(C2CC2)no1 97080289 JDQHBYMOXKLPDS-SFHVURJKSA-N 323.352 2.090 0 40 DEAB CC(=O)N1CSC[C@H]1C(=O)N1CCc2ccc(F)cc2[C@@H]1C 89941490 NJABACYXNUVUFL-BONVTDFDSA-N 322.405 2.193 0 40 DEAB C[C@@H](CSc1ccccc1)C(=O)N1CCCC[C@H]1C(N)=O 95396435 MCJQCYFNDVDUFK-JSGCOSHPSA-N 306.431 2.281 0 40 DEAB CC[C@H](C)c1csc(NC(=O)N[C@H]2CCC(=O)N(C)C2)n1 84726969 UFEHAMZOPFDOOK-UWVGGRQHSA-N 310.423 2.399 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N[C@@H]1C[C@H]1C1CCCCC1 95409959 XMTVWMAVUQGUKA-UONOGXRCSA-N 317.437 2.035 0 40 DEAB CCc1nc(C(=O)N[C@@H](C(=O)OC)c2ccccc2Cl)c[nH]1 95408018 CQMJLSPAZJTMBM-CYBMUJFWSA-N 321.764 2.270 0 40 DEAB CC(C)(C)OC(=O)NCc1nnnn1C/C=C/c1ccccc1 95412031 XHJKWWCQWSKXJR-JXMROGBWSA-N 315.377 2.411 0 40 DEAB COc1ccc(NC(=O)N(C)Cc2ccnc(N(C)C)n2)cc1 95459963 QGQPZAJYUFVSDK-UHFFFAOYSA-N 315.377 2.215 0 40 DEAB CC[C@H](CO)NC(=O)Nc1cc(F)ccc1Br 95411807 ZEDBWFXOYFRJLD-MRVPVSSYSA-N 305.147 2.481 0 40 DEAB FC(F)(F)c1csc(CCNc2ncnc3[nH]cnc23)n1 76065121 DYNRDKRCENISSS-UHFFFAOYSA-N 314.296 2.483 0 40 DEAB CN(C(=O)CC1CCCC1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 76501150 ZPACRTLENTXQSB-KBPBESRZSA-N 301.452 2.381 0 40 DEAB C[C@@H]1CN(C(=O)CN2C[C@H](c3ccsc3)C[C@H]2C)CCO1 75145899 TXPLWKQCDNULCM-UMVBOHGHSA-N 308.447 2.173 0 40 DEAB Cc1noc2ncc(NC(=O)c3[nH]ncc3Br)cc12 75145196 QBSYLYOHDJLHHV-UHFFFAOYSA-N 322.122 2.269 0 40 DEAB O=C(NCc1cccc2cc[nH]c12)c1ccc2nc(O)[nH]c2n1 1556211125 YPLRWKOQERSGCB-UHFFFAOYSA-N 307.313 2.075 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)C[C@H]1CCC[C@H]1O 534921440 NFIIELYOWMZUHW-DVOMOZLQSA-N 319.401 2.181 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)no1 32841346 QKDUVJHICRGTRO-CQSZACIVSA-N 302.378 2.277 0 40 DEAB COCCn1nc(C)c(NC(=O)c2ccc(Cl)cn2)c1C 79662780 ICESDYVXQWYKFF-UHFFFAOYSA-N 308.769 2.447 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccnn1C 72336950 LUYRDBPGEOGYDG-DOMZBBRYSA-N 308.389 2.033 0 40 DEAB O=C(Nc1cn2c(n1)OC=C(Br)C2)C(F)(F)F 228909232 GRQZUURFNOQTIW-UHFFFAOYSA-N 312.045 2.013 0 40 DEAB CCNS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 224607498 IEJTURVVVONZDY-UHFFFAOYSA-N 316.448 2.301 0 40 DEAB CCOCc1cc(C(=O)N2CCN(C)CC2)ccc1OCC 224698714 ZAUUQIXMWGNXBF-UHFFFAOYSA-N 306.406 2.009 0 40 DEAB CCn1ccc(NC(=O)[C@]2(C)Sc3ccccc3NC2=O)n1 40774332 ITDVAISKGJRORL-OAHLLOKOSA-N 316.386 2.345 0 40 DEAB COCCNC(=S)Nc1ccc(Br)c(C)n1 223884535 GQVROTXHFOUJRS-UHFFFAOYSA-N 304.213 2.085 0 40 DEAB CCN(C)C(=O)[C@@H](C)NC(=O)N[C@H]1CCCc2cc(F)ccc21 191328347 ATCUWXCMWMAZTB-ABAIWWIYSA-N 321.396 2.369 0 40 DEAB O=C(NCCc1nc[nH]n1)c1cccc(OC2CCCC2)c1 96449788 MSQSZHDZTQENBW-UHFFFAOYSA-N 300.362 2.099 0 40 DEAB COc1cccc(N2CCC[C@@H](NC(=O)c3cc(C)on3)C2)c1 96409286 NKTQYFAUNPXEMF-CYBMUJFWSA-N 315.373 2.390 0 40 DEAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)N1CCCC1 96118895 UCCDQGJIPRDNRN-UHFFFAOYSA-N 323.352 2.457 0 40 DEAB C[C@H](c1ccccn1)N1CCN(C(=O)NCCC2CC2)CC1 96503161 JLODDGMBAZIRSA-CQSZACIVSA-N 302.422 2.270 0 40 DEAB c1cc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)ccn1 96296193 ZEDJNMGZEZOZGR-KRWDZBQOSA-N 321.384 2.440 0 40 DEAB biogenic,in-vitro O=C(c1ccncc1F)N1CCO[C@@H](c2cccc(O)c2)C1 96479413 QMPLVWZEWFYCJJ-OAHLLOKOSA-N 302.305 2.140 0 40 DEAB Cc1cccc(CN2CC3(CC[C@H](CN4CCCC4)CO3)C2)n1 247886687 TYSYNEKNGPXNIQ-QGZVFWFLSA-N 315.461 2.467 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)cc1F 257227479 FPMFAALNMDEEHO-OAHLLOKOSA-N 307.365 2.280 0 40 DEAB CCCn1nccc1-c1cnc([C@@H]2CCCN(C(C)=O)C2)cn1 257318932 VPZOBPKFUUBYPM-CQSZACIVSA-N 313.405 2.476 0 40 DEAB COc1ncc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)cn1 257224108 FAJIVUZKGXXOAQ-AWEZNQCLSA-N 324.388 2.136 0 40 DEAB CCc1nnsc1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 262319175 QHOYNPHFMWKGSO-NSHDSACASA-N 323.349 2.185 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1C[C@@H](O)C[C@@H]1c1ccccc1 579092455 UAIFBWKVZGQXHH-JKSUJKDBSA-N 309.369 2.302 0 40 DEAB CCN(CC)C[C@@H]1CN(C(=O)c2occc2C)Cc2ccnn21 575403758 JOBWGJSFXLTCSA-OAHLLOKOSA-N 316.405 2.323 0 40 DEAB CCC[C@H](C)N1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099605 SGKQGSAUJFFMBK-KBXCAEBGSA-N 317.433 2.003 0 40 DEAB CC(C)[C@@H](C)NC(=O)CN1CCO[C@H](c2cccc(F)c2)C1 66848817 YGXKDCWWTDOBCE-CJNGLKHVSA-N 308.397 2.360 0 40 DEAB CCc1ccc(S(=O)(=O)NC[C@@]2(OC)CCSC2)s1 96097660 ZLNFBCNHOMONRE-LBPRGKRZSA-N 321.489 2.111 0 40 DEAB CC(=O)Nc1cccc(NC(=O)c2ccc3nc(C)cn3n2)c1 1888999961 LPQWPMQSINFFES-UHFFFAOYSA-N 309.329 2.248 0 40 DEAB COc1ccc(-c2nnc(CN3C[C@H](C)OC[C@@H]3C)o2)cc1 28984756 BNRHKBFPCKQNRK-RYUDHWBXSA-N 303.362 2.354 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCC(Oc2ncc(F)cn2)CC1 1776009477 OZZVNRWQNRLFEK-GFCCVEGCSA-N 305.353 2.342 0 40 DEAB O=C1C[C@H]2[C@H](CCN2Cc2ccncc2)N1Cc1ccccc1 1565550459 DGVYNAMJCRTTBE-ROUUACIJSA-N 307.397 2.457 0 40 DEAB O=C(Cc1cccs1)NCc1nnnn1C1CCCCC1 10594263 LRSSNMOAZCYEHX-UHFFFAOYSA-N 305.407 2.099 0 40 DEAB CCOC(=O)[C@H](CC)Sc1ccc(NC(=O)C2CC2)nn1 11738047 DMNABCPCUSVFAT-JTQLQIEISA-N 309.391 2.259 0 40 DEAB Cn1cc(-c2cncc(CNC(=O)Cc3ccsc3)c2)cn1 575414693 MWOBTNQPHWLVCB-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCN(Cc2ccsc2)C1 606440840 VUOUFYALJPVQLF-AWEZNQCLSA-N 318.446 2.103 0 40 DEAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1ccncc1F 618256980 NNVHEUDXTUMAHI-GFCCVEGCSA-N 305.378 2.287 0 40 DEAB CC(=O)Nc1cccc2c1CCN(C(=O)c1ccc(F)nc1)C2 73010210 AUUFCIXMIZLTJM-UHFFFAOYSA-N 313.332 2.378 0 40 DEAB CCN1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1 118187 GPBSBDSLSDUSOK-UHFFFAOYSA-N 309.464 2.210 0 40 DEAB COc1cc(C(C)=O)ccc1OCc1cc(=O)n2ccccc2n1 11393984 LVFSCCPKVXXVOX-UHFFFAOYSA-N 324.336 2.485 0 40 DEAB COc1ccc([C@H](O)[C@@H](NCCO)c2ccc(OC)cc2)cc1 1668851 PDPNQUZPEWAQHI-ROUUACIJSA-N 317.385 2.060 0 40 DEAB Cc1ccc(NC(=O)CCc2c(C)nc3nc(N)nn3c2C)cc1 16597875 PUMSGQJTIOBBEH-UHFFFAOYSA-N 324.388 2.203 0 40 DEAB O=C(NCc1cccc(N2CCCC2=O)c1)c1cc(C2CC2)[nH]n1 32312468 CSMTWLYGAQREPF-UHFFFAOYSA-N 324.384 2.344 0 40 DEAB O=C(NC1CCCCC1)NC1CCN(c2ncccn2)CC1 21175690 OHERLKXIFDEJHX-UHFFFAOYSA-N 303.410 2.077 0 40 DEAB Cc1nc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cs1 21363415 LPXYSURICRZVDO-UHFFFAOYSA-N 310.400 2.036 0 40 DEAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 57406174 UCCQYMFPERTVFC-AWEZNQCLSA-N 319.405 2.096 0 40 DEAB COc1ccc(CNC[C@@H](O)COCc2cccs2)cc1 2629698 OBYHDHLWLMIRCE-CQSZACIVSA-N 307.415 2.424 0 40 DEAB CC[C@@H](C)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 8195888 FAVOIRIHAIMOBN-UKRRQHHQSA-N 324.446 2.063 0 40 DEAB Cc1cccc(C)c1-n1nnnc1S[C@H]1CCCCNC1=O 32871601 DDPBBZPYIZUHMQ-LBPRGKRZSA-N 317.418 2.040 0 40 DEAB O=Cc1cnc(NS(=O)(=O)c2ccc3ccccc3c2)nc1 8701492 DJKFCKXBIXIXTP-UHFFFAOYSA-N 313.338 2.243 0 40 DEAB O=C(NC1CC1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 56004570 DLVYFZSHFUBZEZ-UHFFFAOYSA-N 306.793 2.471 0 40 DEAB O=C1C[C@H](Nc2ccc(OC(F)(F)F)cc2)C(=O)N1C1CC1 102615950 HUMCGQSOBBAAJU-NSHDSACASA-N 314.263 2.287 0 40 DEAB CCCOc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)O)cc1 33451763 FYWNMBFPNYAJBX-OAHLLOKOSA-N 305.374 2.484 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 53202947 MGMUNKIGGLGQOW-LLVKDONJSA-N 302.827 2.021 0 40 DEAB COC(=O)[C@H](OC(=O)c1c(C)nn(C)c1C)c1ccccc1 22988885 IQPWTLFUVTUOQJ-CQSZACIVSA-N 302.330 2.108 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 21589511 NYGPUBYFKUITRX-HNNXBMFYSA-N 317.366 2.032 0 40 DEAB O=C1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CN1 110576151 FBZBOQLQAWMECM-IXDOHACOSA-N 314.429 2.430 0 40 DEAB NC(=O)c1cccc(CNC(=O)c2nc(Cl)ccc2Cl)c1 25334109 QINAGGQZCSAYJS-UHFFFAOYSA-N 324.167 2.417 0 40 DEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccco1 25514540 RQZDXANBAOIMKD-GFCCVEGCSA-N 306.387 2.144 0 40 DEAB Cc1cc(C(=O)N(C)CC2CC2)cc(S(=O)(=O)N(C)C)c1C 47904250 GQEIPEXIBMIMPR-UHFFFAOYSA-N 324.446 2.036 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCC(c2nnc3n2CCC3)CC1 57145193 QTKSAKGSKMPDSU-UHFFFAOYSA-N 319.796 2.226 0 40 DEAB Cn1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 57193426 HEDYEZOATWMTJO-UHFFFAOYSA-N 303.337 2.246 0 40 DEAB COc1nc(N(C)C)nc(N(C#N)Cc2ccc(Cl)cc2)n1 26952323 ZVMKIHJHSBQJDK-UHFFFAOYSA-N 318.768 2.087 0 40 DEAB Cc1cc(CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)on1 27296576 SBINBIIFKRWPRA-LLVKDONJSA-N 313.313 2.035 0 40 DEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCC2(C)COC2)cc1 58160333 RDHLIJUACZAKIG-SMDDNHRTSA-N 303.358 2.474 0 40 DEAB Cc1ccccc1OC[C@@H](O)CN1CCC(c2cc[nH]n2)CC1 58226025 FASJUEKIHKSBFE-INIZCTEOSA-N 315.417 2.337 0 40 DEAB Cn1cc(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 58283169 UYRIHDFWTXDCAB-GOSISDBHSA-N 321.380 2.064 0 40 DEAB Cc1cccc(CN2Cc3ccnn3[C@H](CN3CCCC3)C2)n1 306143977 YSMCIIXUXSCWCT-GOSISDBHSA-N 311.433 2.239 0 40 DEAB O=C(NCCc1cccnc1)[C@@H]1CCCN(c2ccccn2)C1 58355361 UAUNFRHWKBJLPI-MRXNPFEDSA-N 310.401 2.052 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)c1 70004148 STNIWAITLCUGNQ-HNNXBMFYSA-N 323.400 2.452 0 40 DEAB CCc1ccccc1OCC(=O)OCC(=O)Nc1cc(C)on1 3362116 CESKFRJEZNCKJX-UHFFFAOYSA-N 318.329 2.106 0 40 DEAB C[C@H](NCCCN(C)C)C(=O)Nc1ccc(F)cc1Cl 3338922 KHKKKTQEVMUUSV-JTQLQIEISA-N 301.793 2.347 0 40 DEAB C[C@H](NC(=O)CCn1cncn1)C12CC3CC(CC(C3)C1)C2 10816841 JLPZQAKUGYGYEV-ORVZXPRGSA-N 302.422 2.389 0 40 DEAB CC1(C)CN(C(=O)Nc2ccc(-n3cncn3)c(F)c2)CCO1 62413401 VADAGGUJXACHEP-UHFFFAOYSA-N 319.340 2.049 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)COc2ccc(F)cc2Cl)C1 62913488 NUOWDRMHKJNKAR-CQSZACIVSA-N 315.728 2.181 0 40 DEAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(N)s2)cc1 8327383 ZDHPOCPDRZFRTJ-ZETCQYMHSA-N 310.404 2.248 0 40 DEAB N=C(O)C1CCN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)CC1 13133602 VVRPQDMWQSZIQK-UHFFFAOYSA-N 320.780 2.324 0 40 DEAB COc1ccc(NC(=O)NCc2nc(-c3ccco3)n[nH]2)cc1 69779689 FDGLIPKNNTVVGA-UHFFFAOYSA-N 313.317 2.395 0 40 DEAB O=C(O[C@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2 64003527 FASGSKGSYOATOF-NSHDSACASA-N 314.428 2.361 0 40 DEAB C[C@H](NC(=O)N1CCC(c2nnc3ccccn23)CC1)C1CC1 65439545 WCKNYVADDQODHF-LBPRGKRZSA-N 313.405 2.417 0 40 DEAB CNC(=O)C1CCN(C(=O)c2sc(C(C)C)nc2C)CC1 65454358 ZEGGEPUBJUZFFQ-UHFFFAOYSA-N 309.435 2.173 0 40 DEAB CNC(=O)[C@H]1CN(C(=O)/C=C/c2ccccc2)c2ccccc2O1 14199852 HEYQGSDAHTYUJM-FMQWLBJXSA-N 322.364 2.240 0 40 DEAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N1C[C@H](C)O[C@H](C)C1 18006355 UMMZUMMLOLZSDT-OCAPTIKFSA-N 321.755 2.418 0 40 DEAB C[C@H]1CO[C@H](c2ccccc2)CN1CC(=O)NCc1ccco1 66852975 WUDOKFFRYKUWPZ-YOEHRIQHSA-N 314.385 2.358 0 40 DEAB CCOCCC1(CNC(=O)N2CC[C@@]3(CCOC3)C2)CCC1 89986781 VLHCTERHCKVOSR-QGZVFWFLSA-N 310.438 2.405 0 40 DEAB CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1cccc(C(N)=O)c1 96429897 ZCVIXGGIMKPLSF-INIZCTEOSA-N 315.417 2.329 0 40 DEAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)N(C)Cc2ccccc2)on1 71859050 DSECTDRNUXREPY-XMHCIUCPSA-N 320.414 2.279 0 40 DEAB NC(=O)c1ccc(N2CCN(C(=O)CC3CCCC3)CC2)cc1 71910598 VOTBWDCFDQRIRS-UHFFFAOYSA-N 315.417 2.014 0 40 DEAB Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H](CO)c1ccccc1 97020985 UTCQUFXQIQAOEZ-ABAIWWIYSA-N 317.389 2.428 0 40 DEAB C[C@H](NC[C@H]1CC[C@H](C(=O)N(C)C)O1)c1ccccc1N(C)C 97033478 KTGXAIFCTSVXJI-JJRVBVJISA-N 319.449 2.039 0 40 DEAB CCOC(=O)N[C@H]1CCCN(Cc2cnc3ccc(C)cn23)C1 97032647 JUTSCNKHPMJIIM-AWEZNQCLSA-N 316.405 2.353 0 40 DEAB C[C@@H](NC(=O)[C@@H](C)N(C)CCn1cccn1)c1ccc(F)cc1 84651547 INBPPQVHEQNGSI-ZIAGYGMSSA-N 318.396 2.220 0 40 DEAB CC(C)c1ccc(-c2nnc(NC(=O)NCCO)s2)cc1 95377648 NESFBDBGZXIFNI-UHFFFAOYSA-N 306.391 2.442 0 40 DEAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(N)=O)cn1 84718223 BEYHFSRHDBBMKM-VIFPVBQESA-N 301.371 2.002 0 40 DEAB CC1(C)CCC[C@H](CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)C1 95439653 OKXRODKLMAUOOY-HIFRSBDPSA-N 324.465 2.380 0 40 DEAB CCCc1nnc(N2CCC3(CC2)[C@H](O)C[C@H]3OCC)s1 95418468 ROIKHFOESOOVTJ-VXGBXAGGSA-N 311.451 2.247 0 40 DEAB CCc1oc(C(=O)Nc2c(C)nn(C)c2-n2cncn2)cc1C 95415077 GDLDDVOJORVLBY-UHFFFAOYSA-N 314.349 2.025 0 40 DEAB CC(C)c1noc(CCNC(=O)N2C[C@@H](C)S[C@H](C)C2)n1 78941591 KMLGFQVYLBPSGS-GHMZBOCLSA-N 312.439 2.271 0 40 DEAB Cn1cc([C@@H](OC(=O)c2cc(C3CC3)[nH]n2)C(F)(F)F)cn1 73839635 LGLYMJGJKCYYGH-LLVKDONJSA-N 314.267 2.481 0 40 DEAB Cc1cn2c(CN(C)Cc3nnc(C)n3C)c(C)nc2s1 95975854 WAQRFNBGXPMZKP-UHFFFAOYSA-N 304.423 2.082 0 40 DEAB O=C(Nc1cccc(C(=O)OC[C@H]2CCCN2)c1)c1ccoc1 95971585 CPBHOFZQUJRREN-OAHLLOKOSA-N 314.341 2.441 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)c2ccc(N(C)C)cc2)o1 79713346 RYOYRXKUJYNYCA-UHFFFAOYSA-N 316.357 2.452 0 40 DEAB Cc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C(N)=O 26746994 KAIJIVJRSUNRAD-UHFFFAOYSA-N 324.446 2.485 0 40 DEAB CCOC(=O)c1oc2ccccc2c1N(CC)S(C)(=O)=O 62710818 ZYHUEMWFDJECMC-UHFFFAOYSA-N 311.359 2.395 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Nc1c[nH]nc1[C@H]1CCNC1 1549746265 PAXLUWRNXCHRDP-NSHDSACASA-N 304.781 2.321 0 40 DEAB COCCOC(=O)c1c(C)oc2ccc(OCC(=O)O)cc12 1800830 PFDQCDLUAZGGCY-UHFFFAOYSA-N 308.286 2.008 0 40 DEAB biogenic CN(C(=O)c1ccccc1OCC1CC1)C1(C(N)=O)CCCC1 188040049 GMYRBUNRBIYJSR-UHFFFAOYSA-N 316.401 2.346 0 40 DEAB C[C@@H](NS(=O)(=O)c1c[nH]c2ncccc12)c1nccs1 79354780 OIYFKZYTCSRXQM-MRVPVSSYSA-N 308.388 2.059 0 40 DEAB C[C@H]1CN(CC(=O)Nc2ccc(N3CCCCC3)cc2)CCO1 32865679 AWRCNRPFQKWLRP-HNNXBMFYSA-N 317.433 2.336 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@](C)(O)c2ccccc2)c(C)c1 70639672 ALYABTKSFBOTOF-QGZVFWFLSA-N 319.426 2.489 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2cnccn2)C1 72369392 WTVAQWODFCVDOL-AWEZNQCLSA-N 317.414 2.353 0 40 DEAB CN(Cc1nc(N)c2ccccc2n1)Cc1nccn1C(F)F 72766397 FGONDBOFKBZADE-UHFFFAOYSA-N 318.331 2.436 0 40 DEAB Cc1nnc(SCCCN2CCN(C(C)C)CC2)s1 188242122 LIFOVYHZMHNSCD-UHFFFAOYSA-N 300.497 2.355 0 40 DEAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ncon3)n[nH]2)o1 564357680 OAHWKGWNWKCHDM-GFCCVEGCSA-N 313.317 2.338 0 40 DEAB CCS(=O)(=O)C[C@@H](C)NC(=O)CC(C)(C)c1ccccc1 79094615 SSIBLMDIJYVTNI-CYBMUJFWSA-N 311.447 2.294 0 40 DEAB O=C(O)CC[C@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 43584789 QPRPPYMPSAPZMG-LLVKDONJSA-N 315.366 2.091 0 40 DEAB O=C(CCc1ccncc1)N1CCC(CN2CCCC2)CC1 79050253 HYLKYKIOJWZSTR-UHFFFAOYSA-N 301.434 2.349 0 40 DEAB CC(C)(C)[C@H](O)CCNC(=O)CCc1ccc2c(c1)OCO2 72243167 ZKMSLSVRYNATLJ-OAHLLOKOSA-N 307.390 2.261 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccccc1Cl 79042091 CSGYTPFYVAGWOK-SNVBAGLBSA-N 303.811 2.235 0 40 DEAB C[C@@H](Cc1cccc(F)c1)NS(=O)(=O)CC1CCOCC1 225421219 LBZQOYGSHSRBHH-LBPRGKRZSA-N 315.410 2.103 0 40 DEAB O=C(Cn1cnc(-c2cccs2)cc1=O)Nc1nccs1 49028252 BBDSQLKRWIDNBB-UHFFFAOYSA-N 318.383 2.067 0 40 DEAB CN(C)c1ccnc(CNC(=O)Cc2ccc(Cl)cc2)n1 224193232 PCSPSBNFURCSKV-UHFFFAOYSA-N 304.781 2.055 0 40 DEAB Cc1ccc(C(=O)N2C(=O)CN(C)C(=O)c3ccccc32)cc1 40385895 GEHPUKPQMSYMMR-UHFFFAOYSA-N 308.337 2.254 0 40 DEAB Cc1ccc(CC2CCN(C(=O)C3(O)CCOCC3)CC2)cc1 195567858 OVMICKVOUJELKD-UHFFFAOYSA-N 317.429 2.318 0 40 DEAB CCCc1nc(C[S@](=O)Cc2cn3cccc(C)c3n2)no1 83952767 ILEVLDHKCRPYKT-QFIPXVFZSA-N 318.402 2.427 0 40 DEAB C[C@@H](Oc1ccccn1)C(=O)N1CCC(c2ccncn2)CC1 572099461 QXZUIABEWCZDGV-CYBMUJFWSA-N 312.373 2.045 0 40 DEAB Cc1nc2ccccn2c1C(=O)N1CCC2(CC1)OCCCO2 77187042 OTLKQMDLWGVLEI-UHFFFAOYSA-N 315.373 2.012 0 40 DEAB O=C(c1ccco1)N1C[C@H]2CCCN(C(=O)c3ccoc3)[C@H]2C1 96054192 UMGQCWTTXLJQLA-OCCSQVGLSA-N 314.341 2.249 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCc2cccnc2N(C)C)C1(C)C 96415223 UALTYOBOAWJBCS-KBPBESRZSA-N 320.437 2.150 0 40 DEAB CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C12CCCC2 96419195 KGBBINVHKSKTCP-QLFBSQMISA-N 322.449 2.051 0 40 DEAB C[C@@H](CS(C)(=O)=O)C(=O)N(C)CC1CCCCCCC1 96446347 JQGAVJNMYHVTLE-ZDUSSCGKSA-N 303.468 2.486 0 40 DEAB COc1ccc(C(=O)N2CC[C@H]3NCCCC[C@@H]3C2)cc1F 257326770 WYNJXKQIHNRJIZ-UKRRQHHQSA-N 306.381 2.439 0 40 DEAB CNC(=O)c1cn[nH]c1[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 257308948 TYWJUVCVHRDTDP-GFCCVEGCSA-N 318.808 2.412 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCNC[C@@H]1c1ccccc1 257332870 XZCNPOZRTXZXRO-QGZVFWFLSA-N 312.417 2.132 0 40 DEAB CNc1cc(CC2CCN([C@H]3CCCC[C@@H]3O)CC2)ncn1 257291983 QJMLAIOOVJRSBI-HOTGVXAUSA-N 304.438 2.076 0 40 DEAB COCCN(Cc1ccoc1)S(=O)(=O)c1cccs1 90747243 PJERORKSEFQZPW-UHFFFAOYSA-N 301.389 2.178 0 40 DEAB O=C(/C=C/c1ccco1)NC[C@@H](OCCO)c1cccs1 575622186 XIVUXPOFDXNUIS-URWSZGRFSA-N 307.371 2.221 0 40 DEAB CCc1cc(CN2CC[C@](O)(COc3cccc(F)c3)C2)on1 585276320 ICTBCJPHZRKVAI-QGZVFWFLSA-N 320.364 2.392 0 40 DEAB CCc1cc(CN2CC[C@@](O)(COc3ccc(F)cc3)C2)on1 585278414 SIIMAMOSACWBNE-KRWDZBQOSA-N 320.364 2.392 0 40 DEAB COC[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 44948536 MGOTWXBJTNUDQI-KGLIPLIRSA-N 309.410 2.141 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCCCN2CCCC2=O)o1 57787006 LETITNNPCSEKLF-ZFWWWQNUSA-N 318.417 2.464 0 40 DEAB COc1ccnc(NC[C@H](c2cccs2)N2CCOCC2)n1 69379744 VJTGVCUFJNNVDH-GFCCVEGCSA-N 320.418 2.032 0 40 DEAB O=C(Cc1ccc2c(c1)CCC2)Nc1c[nH]nc1[C@H]1CCNC1 1549748516 XQBAUVDMHKWEAT-HNNXBMFYSA-N 310.401 2.157 0 40 DEAB O=C(CN1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2)N1CCCCC1 12336867 SHSUDKWAMFHXPR-MVVMVCHASA-N 318.417 2.107 0 40 DEAB CC[C@H](C)[C@H](N)c1nnc(S(=O)(=O)Cc2ccccc2)o1 13540770 HNXAAZHRCVCRNF-JQWIXIFHSA-N 309.391 2.089 0 40 DEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21 19936816 JGUYMYYDHFJHGK-UHFFFAOYSA-N 324.402 2.035 0 40 DEAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(C)cc(N)n2)cc1 7177490 MRDXPSRBVQOUCE-GFCCVEGCSA-N 316.430 2.473 0 40 DEAB CC(C)CN1CCO[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 32269684 QCKIOSNAWILLPT-KRWDZBQOSA-N 318.461 2.437 0 40 DEAB Cc1ccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 4504363 WESKLYGUJXUMGY-OAHLLOKOSA-N 309.431 2.280 0 40 DEAB O=C(NCc1ccccn1)C(=O)Nc1ccc(F)c(Cl)c1 5251093 VSAJPAFVMHQYHX-UHFFFAOYSA-N 307.712 2.129 0 40 DEAB CC(C)N1CCc2nc(C(=O)N=c3cc[nH]cc3)sc2CC1 2055785124 IXROPXXIHUJJKX-UHFFFAOYSA-N 316.430 2.021 0 40 DEAB CN(C)C(=O)N1CCC(CNC(=O)Nc2ccccc2)CC1 575616042 OFMAHIUXIPBNNF-UHFFFAOYSA-N 304.394 2.202 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C 533973 BJKKIOXUJOGZMN-HIFRSBDPSA-N 304.390 2.355 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)Nc1cccnc1 40554056 YOIOSYSTPHEPKD-UHFFFAOYSA-N 301.302 2.011 0 40 DEAB O=C(Nc1cnc2ccccc2c1)c1ccc(-n2cnnn2)cc1 411533 LMYMBPIMJBEBKU-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB O=C(NC1CCCCCC1)[C@@H](Cc1ccccc1)n1cnnn1 8312787 IUUIRWWVUFVENR-MRXNPFEDSA-N 313.405 2.296 0 40 DEAB COC(=O)C1CCC(NC(=O)c2ccc3c(c2)N(C)CC3)CC1 96011211 DRANFQZSRAALDS-UHFFFAOYSA-N 316.401 2.141 0 40 DEAB COC(=O)c1sc2nc(-c3ccncc3)[nH]c(=O)c2c1C 21018117 LHXQHEVKPDBJPP-UHFFFAOYSA-N 301.327 2.142 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1F 6538074 IUFYPQMDNRXTGZ-UHFFFAOYSA-N 323.345 2.369 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C 6953112 MXKPRAZZOWXVSW-OAHLLOKOSA-N 317.433 2.151 0 40 DEAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 7239029 VYKKZQFLXCKFEF-UHFFFAOYSA-N 324.789 2.169 0 40 DEAB CC(C)OC(=O)[C@@H](C)NC(=O)Nc1cccc(-c2nnco2)c1 83996189 MTCYFCQGHPKLBA-SNVBAGLBSA-N 318.333 2.198 0 40 DEAB COCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc(F)c1 69492067 QOXBCINYYCMQBC-ZFWWWQNUSA-N 309.337 2.227 0 40 DEAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCCOC 2702333 LFTXOVAQAVLBBC-UHFFFAOYSA-N 315.435 2.442 0 40 DEAB COc1ccc(NC(=O)C[C@H](C)NCCN2CCCC2)cc1 22790322 LAOHVZJDOZRPER-AWEZNQCLSA-N 305.422 2.098 0 40 DEAB O=C(c1ccccc1)[C@@H](C(=O)N1CCCCC1)n1ccccc1=O 819370 WJOUKXWMSJAPEF-KRWDZBQOSA-N 324.380 2.285 0 40 DEAB CC(C)Oc1ncccc1NC(=O)N[C@H]1CCc2[nH]ncc2C1 89887963 HZPFBSCSGLCNSV-LBPRGKRZSA-N 315.377 2.271 0 40 DEAB O=C(NCC1(N2CCOCC2)CCCCC1)Nc1nccs1 42738000 CBNPVQFDMFMMSJ-UHFFFAOYSA-N 324.450 2.300 0 40 DEAB C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)CCC2 54803658 HCNGXBVAHOUKKF-GFCCVEGCSA-N 315.417 2.143 0 40 DEAB C[C@]12C(=O)c3ccccc3NC(=O)[C@@H]1[C@H]2C(=O)N1CCCCC1 100217026 ORWKASYBLGWKDM-DEYYWGMASA-N 312.369 2.086 0 40 DEAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 24545883 JTNCAAKKVYALPE-VIFPVBQESA-N 315.304 2.401 0 40 DEAB CCC(=O)Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2 1272806 HKYIKGUKDVZQPL-SNVBAGLBSA-N 319.752 2.212 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)N[C@H]1CCSc2ccccc21 43167547 QAJICXKUWVVWJK-STQMWFEESA-N 319.430 2.191 0 40 DEAB COC(=O)c1cccc2c1CCCN2C(=O)c1cnc(C)cn1 25190045 GVGLZQCWQREIQK-UHFFFAOYSA-N 311.341 2.165 0 40 DEAB O=C(NC1CC1)c1ccc(COc2ccc3c(c2)OCO3)o1 28231066 OMUMJXSZXKCIEP-UHFFFAOYSA-N 301.298 2.480 0 40 DEAB O=C(Nc1cnc(N2CCOCC2)nc1)c1cccc(Cl)c1 65225002 XQCTYZFKAVPVRP-UHFFFAOYSA-N 318.764 2.219 0 40 DEAB CC(=O)N1CCC(NC(=O)c2cc(-c3ccccc3)no2)CC1 44942685 HLHCTXMZGMQQLW-UHFFFAOYSA-N 313.357 2.082 0 40 DEAB CNC(=O)C1CCN(C(=O)NCc2ccc(Cl)s2)CC1 44909756 JZXQQSZTEMLQLX-UHFFFAOYSA-N 315.826 2.069 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2cccc2[C@H]1C 45070445 HRAKHOUBQDFZNM-VXGBXAGGSA-N 307.394 2.305 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)nc1)OCC(F)(F)F 47843678 HEFCTWBKTWXZHS-UHFFFAOYSA-N 305.256 2.029 0 40 DEAB in-vitro O=C(/C=C/c1ccccc1)NCCNC(=O)c1cccs1 8401825 HJLLZQMMTHICHP-CMDGGOBGSA-N 300.383 2.308 0 40 DEAB NC(=O)c1ccccc1NC(=O)CC1(CC(=O)O)CCCC1 3230669 VHJYFDDBSYMJCR-UHFFFAOYSA-N 304.346 2.149 0 40 DEAB CC(C)COc1cccc(C(=O)N2CCCn3ncnc32)c1 48309200 SCLSNBNAJLUKDE-UHFFFAOYSA-N 300.362 2.363 0 40 DEAB CCc1nnsc1C(=O)N(CCN(C)C)c1ccccc1 69570803 PPHIMPDTTKQSDT-UHFFFAOYSA-N 304.419 2.309 0 40 DEAB CCN(CC(=O)NCc1ccc(F)cc1)C(=O)NC1CCCC1 12977534 LQFDBIOKSVQWNA-UHFFFAOYSA-N 321.396 2.416 0 40 DEAB Cc1ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cn1 69529524 YRCGESJCTRSQKG-UHFFFAOYSA-N 307.394 2.423 0 40 DEAB FC(F)(F)c1ccnc(N2CCC[C@H](Cn3cncn3)C2)n1 69629929 NNKBWTAUGNLBKC-JTQLQIEISA-N 312.299 2.004 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 13141675 LFHCIPKUJPGQKQ-GJZGRUSLSA-N 312.369 2.193 0 40 DEAB Cc1nc(-c2ccccn2)sc1C(=O)NCCN(C)C1CC1 63117124 NDFXKFBWINPODV-UHFFFAOYSA-N 316.430 2.338 0 40 DEAB CCC(CC)C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326680 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CO[C@H](C(=O)NCc1nc(-c2ccccn2)no1)c1ccccc1 71896544 RCADUZZOHDDKDR-HNNXBMFYSA-N 324.340 2.136 0 40 DEAB O=c1c2ccsc2ncn1C[C@@H](O)COCc1cccs1 71838392 UGZFUYXADSPTDP-SNVBAGLBSA-N 322.411 2.097 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)Cc2c(C)noc2C)c1 71865699 IMQBUFVIVFGYTD-OAHLLOKOSA-N 316.405 2.420 0 40 DEAB O=C(N1CCCn2ncnc21)C1(c2ccc(F)cc2)CCC1 71839409 RRTKMNLPIJJISG-UHFFFAOYSA-N 300.337 2.276 0 40 DEAB CCOC(=O)[C@H](OC(=O)CCNc1ccccc1)[C@@H]1CCOC1 71913693 XEFUZKCPRXFZEV-CZUORRHYSA-N 321.373 2.000 0 40 DEAB O=C(COCC(=O)Nc1ccc(F)cc1)NCc1ccccc1 9668360 RTQFMRJQWKZJTF-UHFFFAOYSA-N 316.332 2.097 0 40 DEAB CCNS(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 9835184 YGJJSPNRJLUZRK-UHFFFAOYSA-N 324.446 2.437 0 40 DEAB CC(C)(C)n1cc(C(=O)N(CC(=O)O)Cc2ccccc2)cn1 96999791 DTERXJYCEVTMCM-UHFFFAOYSA-N 315.373 2.365 0 40 DEAB O=C1C[C@H](C(=O)Nc2ccc(Cl)nn2)c2ccccc2N1 72281615 CVGWQIZEXXYMNO-VIFPVBQESA-N 302.721 2.195 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N1CCc2ccc(C(C)(C)C)cc2C1 97080324 DFFIMGHKUIMIPC-LBPRGKRZSA-N 302.418 2.393 0 40 DEAB CCc1ccc([C@H]2CCCN2C(=O)NCC(=O)NCC(C)C)o1 95398390 QGGLLILMOQNUDG-CQSZACIVSA-N 321.421 2.461 0 40 DEAB COC(=O)N1CC[C@H](NCc2cc(F)cc3cccnc23)C1 95415518 SWOHSNVJCBGZOS-AWEZNQCLSA-N 303.337 2.304 0 40 DEAB CC(=O)N[C@H](CC(=O)NCc1c(C)noc1C)c1ccccc1 95955147 VKZYIJWIIGTXLO-MRXNPFEDSA-N 315.373 2.175 0 40 DEAB O=C(Cn1c(CO)nc2ccccc21)N1CCCCCCC1 74268675 LQBBTMUZIZJTCJ-UHFFFAOYSA-N 301.390 2.321 0 40 DEAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cc[nH]n1 66803209 LSFZFPWDTJEPDC-UHFFFAOYSA-N 308.345 2.257 0 40 DEAB O=C1CCC(c2ccc(NC(=O)c3ccnc(F)c3)cc2)=NN1 75094379 SUAAERGSOLXYQL-UHFFFAOYSA-N 312.304 2.087 0 40 DEAB CC(C)(C)C(=O)N1CCN(C(=O)NCc2ccsc2)CC1 79212405 SEMANBAHPJWVBW-UHFFFAOYSA-N 309.435 2.148 0 40 DEAB COCCNC(=O)c1sc(COc2ccccc2)nc1C 36107961 PXGGJKKXQTUHPJ-UHFFFAOYSA-N 306.387 2.407 0 40 DEAB CO[C@]12CCC[C@@]1(C(=O)N1C[C@@H](C(F)F)C3(CC3)C1)CCO2 1553164505 AJIRJESPHGHUKA-UVBJJODRSA-N 315.360 2.423 0 40 DEAB COc1c[nH]c(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1=O 524734891 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N[C@@H]1CCCN(C(=O)c2ccnc(OC3CCCCC3)c2)C1 568274511 GZPUICBTPMHAKC-CQSZACIVSA-N 303.406 2.356 0 40 DEAB O=C(O)c1ccc(Cl)c(CN2CCOC[C@@]23CCOC3)c1 569492352 LODHGVXNUOGJRD-HNNXBMFYSA-N 311.765 2.030 0 40 DEAB O=C(c1ccco1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386149 FPBFNBSOUJDHPL-CYBMUJFWSA-N 310.309 2.071 0 40 DEAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)N[C@@H]1C[C@H]2OCCC[C@@H]12 195573839 VFKBOGJKQZGKMD-YYIAUSFCSA-N 321.465 2.118 0 40 DEAB CCCn1cc(CNCc2cn(C)nc2C(F)(F)F)cn1 130658357 BMIGRDABZLXFKK-UHFFFAOYSA-N 301.316 2.335 0 40 DEAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1ccc(F)cc1 224272088 UBXFXVFPBOIJLD-UHFFFAOYSA-N 322.365 2.017 0 40 DEAB Cc1ccc(CN2CCOCC2)cc1NCc1ccn(C)n1 573234029 SLNOKHNPOKHYRB-UHFFFAOYSA-N 300.406 2.173 0 40 DEAB CSC[C@H](C)NC(=O)N1CCN([C@@H](C)C(F)(F)F)CC1 96455084 PYLNTWPHZDFTSV-UWVGGRQHSA-N 313.389 2.016 0 40 DEAB O=C(O)c1c(-c2ccoc2)ncc2c1CCN([C@H]1CCOC1)C2 96189241 XSRMFMDTXXNIJF-ZDUSSCGKSA-N 314.341 2.187 0 40 DEAB Cc1cnc(N2CCc3nc(N4CCCC4)nc(C)c3CC2)nc1 96083870 LRKHKAVXBCPZAJ-UHFFFAOYSA-N 324.432 2.089 0 40 DEAB COc1ccccc1C[C@H](NC(=O)c1ccc(O)nn1)C(C)C 96448345 WNCADGNAQRHKJL-AWEZNQCLSA-N 315.373 2.188 0 40 DEAB CCOC1CCN(C(=O)N[C@H]2CCN(C3CCCC3)C2)CC1 96413336 NDTKEQOZHKHJTC-AWEZNQCLSA-N 309.454 2.214 0 40 DEAB COC[C@@]12CCO[C@@H]1CCN(C(=O)Cc1ccccc1C)C2 96110338 SSBAKAAPPDMCPR-AEFFLSMTSA-N 303.402 2.192 0 40 DEAB Cn1cncc1CN1CC[C@@]2(C[C@H](Nc3ccccc3)CO2)C1 96218815 VUUQRELFKPBGIM-FUHWJXTLSA-N 312.417 2.266 0 40 DEAB COC[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)Cc2nccn2C1 96187769 GLGXGTORBWVFRF-ZDUSSCGKSA-N 324.384 2.283 0 40 DEAB Cc1nc(CN(C)C(=O)Nc2cnc(-c3ccccc3)nc2)no1 97237061 OPWPKCTTYDSNPX-UHFFFAOYSA-N 324.344 2.499 0 40 DEAB Cc1cc(-c2noc(CNC(=O)OCc3ccccc3)n2)no1 238874834 NUAJWPGCTNLSBJ-UHFFFAOYSA-N 314.301 2.459 0 40 DEAB COC[C@@H]1CCC[C@]12CN(C(=O)Cc1cccc(F)c1)CCO2 96160853 WJWMDYYLDIWJDQ-YJBOKZPZSA-N 321.392 2.412 0 40 DEAB O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1ccccn1 96239141 LJTYDGNXKJYDNZ-SFHVURJKSA-N 308.385 2.106 0 40 DEAB CCc1ccc(CN2CCc3c(nnn3C)[C@H]2COC)cc1 96198468 OSEGTDJXDLSRIA-MRXNPFEDSA-N 300.406 2.123 0 40 DEAB CCOC[C@H]1C[C@]2(COCCN2C(=O)c2ccccc2C)CO1 96240708 RACDJIAUMWCPQP-QAPCUYQASA-N 319.401 2.032 0 40 DEAB CCOc1ncnc2c1CCN(C(=O)c1cccs1)CC2 96058771 CSOHWCRDYGKJJQ-UHFFFAOYSA-N 303.387 2.178 0 40 DEAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3cncs3)CCO2)n1 257223794 DYWYPDLGAUJEML-INIZCTEOSA-N 318.446 2.486 0 40 DEAB COc1cc(CCC(=O)N2CCCC[C@@H]2c2[nH]ncc2C)on1 257222634 DUDIFIOFAVWEHP-CYBMUJFWSA-N 318.377 2.401 0 40 DEAB CN1C(=O)CO[C@H]2CCN(Cc3cc4ccccc4s3)C[C@@H]21 257260116 LBJFLMSYKHTPBP-GJZGRUSLSA-N 316.426 2.333 0 40 DEAB Cc1nc(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)cs1 257321965 WECAGRCHWMCQAW-OAHLLOKOSA-N 318.446 2.486 0 40 DEAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@@H]1c1cnccn1 257312046 UMFFQHWQKDTHLZ-OAHLLOKOSA-N 320.356 2.035 0 40 DEAB Cc1nccc([C@H]2CCCN2S(=O)(=O)c2cccs2)n1 257240855 HVLOABNIKJNGOT-GFCCVEGCSA-N 309.416 2.372 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575403821 KQLSOOGBNIZMDB-LBPRGKRZSA-N 322.405 2.486 0 40 DEAB COc1ccnnc1NC(=O)N[C@@H](CCCO)c1ccccc1 585140067 YCPFIXSCDPBFFR-ZDUSSCGKSA-N 316.361 2.121 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCN(Cc3cccnc3)CC2)c1 54722944 GKWZJMGXDSNTBT-UHFFFAOYSA-N 311.385 2.054 0 40 DEAB COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 66631790 PTALXHZHPXOGPU-AWEZNQCLSA-N 314.345 2.246 0 40 DEAB Cc1cnn(C[C@H](C)NCc2nccn2CC(F)(F)F)c1 69484801 SWQDRFROPYWUGI-NSHDSACASA-N 301.316 2.129 0 40 DEAB Fc1cccc2nc(N3CCC(c4nn[nH]n4)CC3)sc12 895005222 BQXYGHHIZYACGI-UHFFFAOYSA-N 304.354 2.333 0 40 DEAB c1nc2c(c(N3CCOCC3)n1)CN(CC1CCCCC1)CC2 97202445 RRXVIHYOIWUBJU-UHFFFAOYSA-N 316.449 2.252 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)O)c(F)c1 96485343 GGOXHWHWLCBFTH-DGCLKSJQSA-N 301.383 2.058 0 40 DEAB Cc1cnc(-c2nnc(CNC(=O)CCC3CCCC3)o2)cn1 19239257 BYKCLZATBVYQNG-UHFFFAOYSA-N 315.377 2.422 0 40 DEAB Cc1noc(-c2ccccc2OCC(=O)NC2(C)CCC2)n1 19286110 KROFVWSPBIIQON-UHFFFAOYSA-N 301.346 2.483 0 40 DEAB CC(C)CC(=O)N1CCC[C@@H]1c1ncc2c(n1)CCN(C)C2 19446423 HOXWJZLEVNDNBZ-OAHLLOKOSA-N 302.422 2.174 0 40 DEAB Cc1csc2nc(O)c(C(=O)NC3CCCCCC3)c(=O)n12 10166703 NHHLAXMDHRVOQU-UHFFFAOYSA-N 321.402 2.223 0 40 DEAB COC[C@@H]1CN(Cc2cccc(OC)c2)Cc2cn(C)nc21 1203821161 OLEHIANFIPQGDS-HNNXBMFYSA-N 301.390 2.175 0 40 DEAB CCOC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1 78844 XXXKWCTXBFCXMH-UHFFFAOYSA-N 314.370 2.447 0 40 DEAB COc1cccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)c1OC 10826070 SJEOJCPBGYIERQ-UHFFFAOYSA-N 312.325 2.451 0 40 DEAB COc1cnc(O[C@H]2CCN(c3ccc(Cl)cn3)C2)nc1 2086884423 QDFCNXKOQITNDK-NSHDSACASA-N 306.753 2.191 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NC[C@H](C)N(C)c1ccccc1 40105118 RUWDBQYKGMFNIB-NSHDSACASA-N 323.418 2.095 0 40 DEAB CC(C)N1CCC[C@@H](CNC(=O)Cc2n[nH]c3ccccc23)C1 50628966 LYDUISGQVUQOOR-AWEZNQCLSA-N 314.433 2.342 0 40 DEAB C[C@@H]1CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)[C@H](C)CO1 40501447 BONFEPFAXDBOSF-NXEZZACHSA-N 307.781 2.186 0 40 DEAB COc1cccc(OC)c1C(=O)NC(=S)N1CCCCC1 560012 TUMXODDJSPLKBC-UHFFFAOYSA-N 308.403 2.204 0 40 DEAB O=S(=O)(c1cc(F)c(F)cc1F)N1CCCSCC1 69322120 CISIWSYQHKCBNQ-UHFFFAOYSA-N 311.350 2.232 0 40 DEAB CCOC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 17301710 ZBWYNVDXWISWEV-UHFFFAOYSA-N 320.345 2.222 0 40 DEAB O=C(Nc1nc2ccc(Cl)cc2[n+]([O-])n1)c1ccccc1 2577545 LNQULVMMWBHQKP-UHFFFAOYSA-N 300.705 2.169 0 40 DEAB Cc1ccc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)N2CCCC2)c1 3444702 VOIOEKGQLXEOKU-HNNXBMFYSA-N 317.433 2.185 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2s1 4392382 HVSJUOBUAFFKKF-VIFPVBQESA-N 310.400 2.060 0 40 DEAB CCN(C(=O)COC(=O)c1ccc(O)cc1O)C1CCCCC1 6080992 YSCANQDTOKFIBK-UHFFFAOYSA-N 321.373 2.436 0 40 DEAB O=C(NCCN1CCOCC1)c1ccc(-c2ccc(F)cc2)o1 29632618 JIDSMCSQYNCBFS-UHFFFAOYSA-N 318.348 2.148 0 40 DEAB O=c1/c(=C\c2ccco2)sc2nc(-c3ccc(F)cc3)nn12 530715 FIJPIKRBSPXQLW-XYOKQWHBSA-N 313.313 2.098 0 40 DEAB Cc1cc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)on1 53353887 HVXHSAFIRKQMBC-UHFFFAOYSA-N 317.364 2.009 0 40 DEAB CC[C@@H](NC(=O)Cn1ccccc1=O)c1ccc(OC)cc1 69712803 RPIXJMKZNYOZHA-OAHLLOKOSA-N 300.358 2.124 0 40 DEAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CCN(C)C(=O)C1 46931635 OYKWNOKPHRKZEO-WCQYABFASA-N 308.809 2.256 0 40 DEAB CC(C)CO[C@@H](C)C(=O)Nc1cccc(N2CCNC2=O)c1 47042361 CIRUWJVRBCBUQS-LBPRGKRZSA-N 305.378 2.216 0 40 DEAB Cc1cc2ccccc2n1CC(=O)NCc1cccc(C(N)=O)c1 23133526 PROUQSYSNYXCLV-UHFFFAOYSA-N 321.380 2.365 0 40 DEAB O=C(N[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccccc1 12460432 ZWULLUCGBDZORT-KRWDZBQOSA-N 324.380 2.017 0 40 DEAB COc1ccc(S(=O)(=O)N(C)Cc2c(C)noc2C)cc1 23985645 SXGKFXPRKUERCH-UHFFFAOYSA-N 310.375 2.121 0 40 DEAB CC(C)(CNC(=O)Cc1ccc(Cl)cc1)N1CCOCC1 12569154 RJATZACXXDJQDA-UHFFFAOYSA-N 310.825 2.110 0 40 DEAB CCn1cc(NC(=O)NCc2ccc(N3CCCC3)nc2)cn1 43645058 JJWNYFBRUVEOCK-UHFFFAOYSA-N 314.393 2.220 0 40 DEAB O=C(COc1ccc2c(c1)CCC(=O)N2)Nc1nccs1 25895281 HERKWFSVQFASRD-UHFFFAOYSA-N 303.343 2.045 0 40 DEAB C[C@@H](NCc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 35230407 YJYOZYCEUNFLHI-LLVKDONJSA-N 308.378 2.324 0 40 DEAB C[C@H]1CCCN(C(=O)[C@@H](C)n2cc(Br)cn2)C1 28224542 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COc1ccc(CN[C@H]2[C@H](O)[C@H](O)C[C@@H]2c2ccccc2)cc1 72321863 RERGMTNJEIURDY-NCXUSEDFSA-N 313.397 2.063 0 40 DEAB biogenic,in-vitro CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1cccc(C(=O)O)c1 565104281 JEDLZNLLIPHJQZ-BRWVUGGUSA-N 319.401 2.401 0 40 DEAB CC[C@@H](Nc1cccc(COC[C@@H]2CCCCO2)c1)C(N)=O 79029668 YZAQYSLFIJFPIQ-JKSUJKDBSA-N 306.406 2.448 0 40 DEAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)O 72223648 PQGHSLXEGNVIMW-UHFFFAOYSA-N 321.377 2.145 0 40 DEAB Cc1nn(C)c(C)c1CNC(=O)CCn1ncc2ccccc21 40758127 KQDRKAOLPGIIPV-UHFFFAOYSA-N 311.389 2.093 0 40 DEAB Cc1cccc(CC(=O)N2CCC[C@@H](Oc3cnccn3)C2)c1 225470119 JMYONYZQPXRNJJ-MRXNPFEDSA-N 311.385 2.398 0 40 DEAB CC(C)(O)[C@H]1CCCN1C(=O)Cc1cc(F)c(F)cc1F 195547568 FYKUHSPPGXWDDA-CYBMUJFWSA-N 301.308 2.408 0 40 DEAB CC(C)COC[C@@H](C)NC(=O)NC[C@@](C)(O)c1cccs1 96417708 AMMOZZHQEMNCMD-IUODEOHRSA-N 314.451 2.316 0 40 DEAB CC[C@H](NC(=O)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 96473761 CKSYGRLVRLSPFH-DLBZAZTESA-N 302.418 2.192 0 40 DEAB 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GKTLQUATVNDWTA-ZBFHGGJFSA-N 307.463 2.436 0 40 DEAB O=C(O)c1ccccc1-c1ccc(Cn2ncccc2=O)nc1 257306096 SSXGACPVZQRWSE-UHFFFAOYSA-N 307.309 2.052 0 40 DEAB O=C(c1ccnc(-c2cncnc2)c1)N1CCC(F)(F)CC1 257237752 HHZKPBDMVNJNFP-UHFFFAOYSA-N 304.300 2.410 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCOc2ccccc2)n1 257259680 KZMLYMLIQXBULR-OAHLLOKOSA-N 315.373 2.087 0 40 DEAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cn(C)nc3C)C2)c1 257334380 YFQTXEOVGOCNJC-CYBMUJFWSA-N 313.405 2.103 0 40 DEAB CC(=O)c1c[nH]ccc1=NC(=O)c1ccc(Br)o1 530464671 PUOABGTXJNUWAC-UHFFFAOYSA-N 309.119 2.314 0 40 DEAB Cc1ccc2c(C)c(C(=O)N(C)[C@@H]3CC[C@@H](O)[C@@H]3O)oc2c1 585269114 IXXSUXBKZVRNTO-UMVBOHGHSA-N 303.358 2.006 0 40 DEAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@H](C(N)=O)C1 48039211 LLTZXFWJTVARTN-KOLCDFICSA-N 320.780 2.258 0 40 DEAB C[C@@H]1CCCCN1CCNC(=O)c1cn(C)nc1C(F)(F)F 53030840 QCVPPIFSHSPQRG-SNVBAGLBSA-N 318.343 2.043 0 40 DEAB CCCN1CCC(NS(=O)(=O)c2ccc(CC)s2)CC1 55221490 XVKHNAUHVRCYSB-UHFFFAOYSA-N 316.492 2.463 0 40 DEAB Cn1c(Cl)cnc1COC(=O)c1ccc([S@](C)=O)cc1 57994501 MDAAIHHLXJVVDY-HXUWFJFHSA-N 312.778 2.168 0 40 DEAB Cc1ccc(CC(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)s1 69928530 ZAJDSRKENMDDRZ-HNNXBMFYSA-N 324.490 2.150 0 40 DEAB CCOC(=O)CCCCCN1CCC[C@H](C(=O)NCC2CC2)C1 69968987 JOKNOAWWVNRVGT-INIZCTEOSA-N 324.465 2.348 0 40 DEAB CN(C)C(=O)CCCn1ccc(NC(=O)C2C(C)(C)C2(C)C)n1 73765227 RWAPAEKRSNEHRS-UHFFFAOYSA-N 320.437 2.372 0 40 DEAB COc1c(Br)cc(N)cc1S(=O)(=O)C(F)F 604221252 CDNDFNUODXPUGJ-UHFFFAOYSA-N 316.123 2.036 0 40 DEAB CSc1ncc(C(=O)NC(C)(C)CN2CCC[C@H](C)C2)cn1 12203333 JCCQKBNFUHGBEX-LBPRGKRZSA-N 322.478 2.439 0 40 DEAB CCN1CCN([C@@H](c2nnnn2CCC(C)C)C(C)C)CC1 19528106 SLEDQLPHRIHZMY-OAHLLOKOSA-N 308.474 2.054 0 40 DEAB CCOC(=O)CS[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 101273883 PPIMTBJOGIXNQT-CYBMUJFWSA-N 321.398 2.232 0 40 DEAB CC[C@@H](C(=O)NC[C@]1(OCCO)CCSC1)c1ccccc1 1565519915 TXGDAIVWRVAMDA-NVXWUHKLSA-N 323.458 2.181 0 40 DEAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2cc(C)on2)cc1 10218589 AFEYSXXUBCIBKA-UHFFFAOYSA-N 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0 40 DEAB CCn1cnnc1-c1cccc(NC(=O)c2cnc(C)cn2)c1 25287312 UVUOKLOHZLLMAD-UHFFFAOYSA-N 308.345 2.316 0 40 DEAB CC(C)OCCN1C(=O)N[C@@](C)(c2ccc(F)c(F)c2)C1=O 25607545 VWKCQPMVTREQSU-HNNXBMFYSA-N 312.316 2.157 0 40 DEAB COc1cc(F)cc(CNC(=O)N2CC[C@H](N3CCCC3)C2)c1 91925779 FCSKMFMNQVBSAR-HNNXBMFYSA-N 321.396 2.214 0 40 DEAB COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1cccc(OC)c1 54394607 XOLJLIGBKNFVKG-AWEZNQCLSA-N 320.389 2.051 0 40 DEAB CCn1cnnc1CNC(=O)NCc1ccccc1OC(C)C 57211347 IONKDPMOARYDNC-UHFFFAOYSA-N 317.393 2.085 0 40 DEAB CNC(=O)[C@@H](C)OC(=O)c1ccc(C(=O)c2ccccc2)cc1 26466604 DJNKUTJFSSLTKI-GFCCVEGCSA-N 311.337 2.209 0 40 DEAB CCO[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 60066219 VOAWZGPXBIMMND-HNNXBMFYSA-N 309.431 2.365 0 40 DEAB O=C(C[C@@H]1CCCO1)NC1CCN(Cc2ccccc2F)CC1 58160368 VDSJSJDATMANRJ-INIZCTEOSA-N 320.408 2.475 0 40 DEAB CC[C@](C)(NC(=O)COCc1ccccc1Cl)C(=O)OC 58192590 VITBLQLMJOSFNX-HNNXBMFYSA-N 313.781 2.315 0 40 DEAB O=C(Nc1ncccc1O)C1CCN(CC(F)(F)F)CC1 44966898 ATQIHXVOZZAJQE-UHFFFAOYSA-N 303.284 2.000 0 40 DEAB CC[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)CCO1 44918568 XKEWAHJOIVNFNJ-NSHDSACASA-N 318.295 2.274 0 40 DEAB O=C1c2nccnc2C(=O)N1c1cccc(Br)c1 22073235 QNJBYGZYQJJFKN-UHFFFAOYSA-N 304.103 2.040 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)COc1ccccc1 3388622 XZBUJCOPOLKCLQ-HIFRSBDPSA-N 305.374 2.304 0 40 DEAB Cc1ccc(NS(=O)(=O)c2ccc3nnc(C)n3c2)cc1F 67172410 RZOHJXDMFQUEIC-UHFFFAOYSA-N 320.349 2.286 0 40 DEAB O=C(NC[C@@H]1CCOC1)NC[C@@H](c1cccs1)N1CCCC1 48311710 KCEUGYOOVOJBME-KBPBESRZSA-N 323.462 2.221 0 40 DEAB Cc1csc(SCC(=O)Nc2sccc2C(N)=O)n1 3405904 NMSCVVWKAKADFI-UHFFFAOYSA-N 313.429 2.343 0 40 DEAB O=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1 4195286 ZOKHYMSVDISHRH-UHFFFAOYSA-N 305.355 2.459 0 40 DEAB C/C(=C\C(=O)NC[C@@H]1CCS(=O)(=O)C1)CCc1ccccc1 69459018 BDMMWQNPGJLDJY-UKYUDJEDSA-N 321.442 2.116 0 40 DEAB Cn1cc(CCNC(=O)C2=Cc3cc(Cl)ccc3OC2)cn1 49770890 SGVKTAQPFHGYFS-UHFFFAOYSA-N 317.776 2.208 0 40 DEAB CCOc1ccc(OC[C@@H](O)CN2CCCC[C@@H]2CCO)cc1 6111149 VSONKLRWXJMQQO-CVEARBPZSA-N 323.433 2.062 0 40 DEAB CCOC(=O)CCN(Cn1nccc1-c1ccncc1)C1CC1 65491841 QHONZRIZJXHPRS-UHFFFAOYSA-N 314.389 2.320 0 40 DEAB O=C(CNc1ccc(C(=O)N2CCCC2)cc1)N1CCCCC1 65563515 SDOGRNNLSPTPMI-UHFFFAOYSA-N 315.417 2.347 0 40 DEAB CCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)NC1=S 14183165 OAMXPKCAGKPJIJ-FLIBITNWSA-N 306.387 2.259 0 40 DEAB Cc1ccc(C)c(C[S@@](=O)CC(=O)NCc2ccco2)c1 69806729 YEVZYNZDXDFADW-NRFANRHFSA-N 305.399 2.462 0 40 DEAB COc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 5786784 YNZCVSOBRJGNCN-UHFFFAOYSA-N 305.355 2.481 0 40 DEAB C[C@H](OC(=O)c1cccs1)C(=O)Nc1sccc1C(N)=O 8778434 DZOKNUSKCXKSDW-ZETCQYMHSA-N 324.383 2.093 0 40 DEAB CCc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409377127 DXWQURQNJYBJRR-UMPJEAMMSA-N 301.342 2.232 0 40 DEAB CC(C)[C@@H](NC(=O)c1cc(Br)ccc1F)C(=O)O 19425343 BDTSFTWTWVLCKP-SNVBAGLBSA-N 318.142 2.427 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(N)cc(=O)[nH]1 9282809 JCDLXTCBSFPHGN-UHFFFAOYSA-N 314.370 2.117 0 40 DEAB Cc1nn(C)cc1NC(=O)C(=O)Nc1ccc(Cl)cc1F 84044535 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320.393 2.462 0 40 DEAB CCOC[C@]12COC[C@H]1CN(C(=O)/C=C/c1cccs1)C2 96108679 JHJPCGDDYILCQH-GBYQGRNTSA-N 307.415 2.273 0 40 DEAB Cc1cccc(CN2C[C@@H]3CN(C4CCOCC4)C[C@@H]3C2=O)c1 96245282 PWFIHTCYOQPYEE-WMZOPIPTSA-N 314.429 2.064 0 40 DEAB c1cncc(CO[C@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)c1 96055020 ADWRFSHBGVCHRA-AEFFLSMTSA-N 313.401 2.150 0 40 DEAB COC(=O)c1ccc(-c2ccc(OC)c(OC)c2)nc1C=O 95098114 ZKXOSVAIAQIPNI-UHFFFAOYSA-N 301.298 2.365 0 40 DEAB Cc1nn(C(C)(C)C)c(=O)n1Cc1nnc(-c2cccs2)o1 97375704 WSKDYQFESNZVGG-UHFFFAOYSA-N 319.390 2.268 0 40 DEAB C[C@@](Br)([C@H](O)c1ccccc1F)S(C)(=O)=O 96521263 STONOBAPVSAMKJ-ZJUUUORDSA-N 311.172 2.015 0 40 DEAB CN(C)[C@@H](CNC(=O)C[C@@H]1CCCO1)c1c(F)cccc1F 96406389 RRWPVSHBFKDEOU-FZMZJTMJSA-N 312.360 2.253 0 40 DEAB CCc1nc(C)ncc1C(=O)N1CCN(C)c2ccccc2C1 96411226 OQLHLMUYUOOXRS-UHFFFAOYSA-N 310.401 2.440 0 40 DEAB CS[C@H]1CCC[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 96409455 XOAIKZLMBQLXDG-NEPJUHHUSA-N 304.419 2.442 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)[C@@H]1CCCc2ccccc21 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257229104 FWRSIMMPHOOCKK-LLSOJIOMSA-N 309.365 2.351 0 40 DEAB Cc1ccnc([C@H]2CCN(Cc3ccnc(N4CCCC4)n3)C2)n1 257321569 WCEZLGXMIFDWCF-HNNXBMFYSA-N 324.432 2.165 0 40 DEAB c1ccc(O[C@H]2CCOC3(C2)CN(Cc2cccnc2)C3)nc1 585103830 DDTQEKFBEVMGSX-INIZCTEOSA-N 311.385 2.289 0 40 DEAB CC(C)(C)[C@H](O)CN1CCN(CCOc2ccccc2F)CC1 69652641 WVCFJWOFORIPEM-QGZVFWFLSA-N 324.440 2.229 0 40 DEAB COc1ccc(Cl)cc1C(=O)N[C@H]1CCc2nccn2C1 65487801 SJOSVKCUKQOFKL-NSHDSACASA-N 305.765 2.290 0 40 DEAB CC[C@H](C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1 72295298 RJJMBRAHQZOXKF-FZMZJTMJSA-N 315.373 2.015 0 40 DEAB CCOC(=O)N1CCC(NC[C@@](C)(O)c2cccs2)CC1 89156764 YVXPOWFCUYSIAX-OAHLLOKOSA-N 312.435 2.166 0 40 DEAB CSc1cccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c1 96817090 QJYSBNQWBVLJNY-UHFFFAOYSA-N 312.372 2.236 0 40 DEAB CCCCN1C(=S)N(c2ccccc2)[C@@H]2CS(=O)(=O)C[C@H]21 5608176 BYNGFCRTLCTOKR-ZIAGYGMSSA-N 324.471 2.059 0 40 DEAB COCC(=O)N1CC[C@@H](c2cc(-c3ccc(OC)cc3)n[nH]2)C1 12088171 NDNDTONWYIZXGK-CYBMUJFWSA-N 315.373 2.048 0 40 DEAB C[C@H]1CN(c2nnc(NC(=O)c3ccccc3)s2)C[C@@H](C)O1 13143650 PRROOBQCFPNXIZ-PHIMTYICSA-N 318.402 2.404 0 40 DEAB CCOc1ccc(-n2ccn(CC3CCC3)c(=O)c2=O)cc1 1888878928 AMUGTLOYTUDVBT-UHFFFAOYSA-N 300.358 2.198 0 40 DEAB c1ccc2oc(NC[C@]3(N4CCOCC4)CCSC3)nc2c1 29626090 JIOZYUKLUIWPHN-MRXNPFEDSA-N 319.430 2.448 0 40 DEAB CC(C)CC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40512010 LGFAXNZMTHSSHU-NSHDSACASA-N 316.423 2.084 0 40 DEAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)C1CC(F)(F)C1)C2 1565542798 SUYBHRDLSLAHAT-GFCCVEGCSA-N 313.348 2.021 0 40 DEAB Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1 3481285 GULOENYOTPLCJV-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB Cc1nc(C)c(C(=O)Nc2c(C)nc3sccn3c2=O)s1 8931672 IYYJSBTZENPISK-UHFFFAOYSA-N 320.399 2.390 0 40 DEAB C[C@](O)(CNC(=O)Cc1cccs1)c1ccc2c(c1)OCO2 75155423 JTFFHVUKGUBQBJ-INIZCTEOSA-N 319.382 2.043 0 40 DEAB O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@H]2CCCC[C@H]21 40553886 GIZMBOBGIALFBA-CVEARBPZSA-N 312.373 2.051 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](Cn3nc(C)cc3C)C2=O)cc1 100944539 LONJKNTYLIDGNH-ZDUSSCGKSA-N 313.357 2.088 0 40 DEAB COc1cccc(CNC(=O)c2cc(=O)[nH]c3ccccc23)c1 218595 ZDHDFPSXFBUPGK-UHFFFAOYSA-N 308.337 2.467 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2Cc2nnc(C3CC3)o2)n1 70010489 XFGLERLECMHMRQ-CQSZACIVSA-N 301.394 2.425 0 40 DEAB CC(=O)N1CCN(C(=O)CCSc2ccc(C)c(C)c2)CC1 32674669 ZCNAVMMCWSTQBW-UHFFFAOYSA-N 320.458 2.476 0 40 DEAB N=C1c2ccccc2CN1NC(=O)CN1CCCc2ccccc21 102231115 UGULRCRIKMHOMF-UHFFFAOYSA-N 320.396 2.312 0 40 DEAB CC[C@@H]1CCc2sc(C(=O)N3CC[C@H](C(N)=O)C3)cc2C1 41129035 KBUUZPZUFVFCTR-MNOVXSKESA-N 306.431 2.210 0 40 DEAB O=C(O[C@H]1CCOC1=O)c1cnn(Cc2ccccc2Cl)c1 32850592 DVXHGADJISWDPT-ZDUSSCGKSA-N 320.732 2.057 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)c1cccc(F)c1 69666981 FTIYZTMFHQFEDR-KURKYZTESA-N 320.408 2.334 0 40 DEAB CCCN(Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 52798770 OHDQZQVQOBLGBQ-UHFFFAOYSA-N 311.389 2.069 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H](C)[C@H]1CCCO1 47275012 BUVMYRYXDINNQW-QMTHXVAHSA-N 300.358 2.343 0 40 DEAB CC(=O)[C@H]1[C@@H](/C=C/c2ccccc2)[C@H](C(C)=O)C(=O)C[C@]1(C)O 33837252 YHXCGSKXQOACAT-OPKWSNEBSA-N 314.381 2.450 0 40 DEAB biogenic O=C(Cn1cncn1)NCC1(c2ccc(F)cc2)CCCCC1 55455267 OCOIHEZCZSFNSA-UHFFFAOYSA-N 316.380 2.436 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(C)no3)CC2=O)cc1 69486685 XMVPLXWYJZCQOU-AWEZNQCLSA-N 313.357 2.279 0 40 DEAB C[C@@H]1CN(CCc2cccs2)CCN1Cc1nccn1C 69489249 XDNONAJESNTRAW-CQSZACIVSA-N 304.463 2.230 0 40 DEAB C[C@H]1CN(S(C)(=O)=O)CC[C@H]1N[C@H](C)CCc1ccccc1 106918489 BZULBLVMDUINRW-ZMSDIMECSA-N 324.490 2.267 0 40 DEAB COc1ccccc1CCNS(=O)(=O)Cc1ccc(F)cc1 25368186 OJZSYOIHRJBXNS-UHFFFAOYSA-N 323.389 2.496 0 40 DEAB CCn1cc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cn1 43644966 WXFOFNMSMGARPH-ZDUSSCGKSA-N 310.304 2.036 0 40 DEAB O=C(Cn1cnc2c(sc3ccccc32)c1=O)N1CCCC1 57507899 HDMSYCWDFLUPQK-UHFFFAOYSA-N 313.382 2.234 0 40 DEAB Cc1noc(-c2ccccc2C(=O)N2CC[C@]3(CCOC3)C2)n1 89721212 RTRKGYMNWTUXST-KRWDZBQOSA-N 313.357 2.298 0 40 DEAB O=C(Nc1ccncc1)N[C@H](Cc1ccccc1)C(=O)NC1CC1 58192374 SRFIYBKMTRRNIG-MRXNPFEDSA-N 324.384 2.093 0 40 DEAB Clc1ccc(-c2nnn(Cc3nc(C4CC4)no3)n2)cc1 58292399 RBPUTJDHSZOQBM-UHFFFAOYSA-N 302.725 2.302 0 40 DEAB O=C(Nc1nnc2ccccn12)c1cccnc1N1CCCCC1 58224903 FCXNFANCCJWZCD-UHFFFAOYSA-N 322.372 2.367 0 40 DEAB O=C(CCS(=O)(=O)C1CCCC1)NCCc1cccs1 44948914 LIFHXXPAONAYMX-UHFFFAOYSA-N 315.460 2.154 0 40 DEAB COCCN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 44944313 UNAGHCIOISIXNK-CYBMUJFWSA-N 316.279 2.119 0 40 DEAB COc1c(C)cnc(CNCc2c(C)nn(C)c2OC)c1C 58344967 BMWWVDSZNAGHKW-UHFFFAOYSA-N 304.394 2.047 0 40 DEAB CCOCCO[C@@H](C)C(=O)N(C)Cc1ncc(C)c(OC)c1C 58311772 AXNCTQPCDGXSKP-AWEZNQCLSA-N 324.421 2.107 0 40 DEAB Cc1nn(C)c(N2CCOCC2)c1CN[C@H](C)c1cccs1 58391847 JZWAGLGMIDOLTI-CYBMUJFWSA-N 320.462 2.477 0 40 DEAB CCC(=O)N1CCc2cc(C(=O)NO[C@H]3CCCCO3)ccc21 58370462 ZRUQQWWDZDMGBT-INIZCTEOSA-N 318.373 2.174 0 40 DEAB CC(C)NC(=O)CCNC(=O)C(=O)c1ccc(C(C)(C)C)cc1 58355510 OAGUXYFGNQEYHX-UHFFFAOYSA-N 318.417 2.198 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C[C@H](C)O[C@H](C)C2)c1C 12625236 CATNEWIGGQHJFE-PHIMTYICSA-N 322.405 2.100 0 40 DEAB Cc1cc(CN(C)C[C@H](O)c2ccc3c(c2)OCCCO3)no1 48260845 FTIHFOZIDKDYQS-HNNXBMFYSA-N 318.373 2.310 0 40 DEAB Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2CCCO2)nc1 48232056 ZYKCZHBQIYVIQK-UONOGXRCSA-N 306.410 2.059 0 40 DEAB CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(Cl)c1 3441940 KIMRAUKIZSFDBZ-SNVBAGLBSA-N 320.817 2.242 0 40 DEAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1=O 12976717 FLBKRIBHFCBROT-DCGLDWPTSA-N 323.437 2.133 0 40 DEAB c1coc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 69528799 SROGSLIFRYXWSK-ZDUSSCGKSA-N 302.378 2.294 0 40 DEAB O=C1COc2cc(C(=O)N[C@@H]3CCc4ccccc43)ccc2N1 13002770 CPIXFCMCDHVDON-CQSZACIVSA-N 308.337 2.435 0 40 DEAB C[C@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)NC(C)(C)C 69745031 TYNLARBWKVOLTR-JTQLQIEISA-N 315.460 2.485 0 40 DEAB CCOc1ccccc1NC(=O)COc1ccc(C(N)=O)cc1 6290303 DWVAFMZATHCBOT-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB CN(C)C[C@@H]1CN(Cc2ccc(Br)s2)CCO1 69969761 PKSFDUBGQXVZPF-SNVBAGLBSA-N 319.268 2.273 0 40 DEAB CNc1ccc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)cn1 65390722 IYWWGCHORNXEQZ-NSHDSACASA-N 316.409 2.394 0 40 DEAB CNc1ccc(NC(=O)NC[C@@H](C)Cn2nc(C)cc2C)cn1 65390723 IYWWGCHORNXEQZ-LLVKDONJSA-N 316.409 2.394 0 40 DEAB COC(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 8728892 BHPAIMJHJDOEAX-INIZCTEOSA-N 311.337 2.093 0 40 DEAB Cc1cc(Cl)ccc1OCCCC(=O)NCC(=O)NC1CC1 14237050 GCUOCPQIWXOCQW-UHFFFAOYSA-N 324.808 2.202 0 40 DEAB CC(C)(CN1CCCC1)NS(=O)(=O)c1ccc(Cl)cc1 5497087 AOJWGGYSYGHOGA-UHFFFAOYSA-N 316.854 2.493 0 40 DEAB COc1ccccc1-n1cnnc1SCC(=O)NC(C)(C)C 4894938 RDMAGJFFVLIGNN-UHFFFAOYSA-N 320.418 2.283 0 40 DEAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1cnccn1 8982302 GSKAJZPSELYICB-UHFFFAOYSA-N 310.357 2.401 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CN1CCC[C@H](O)C1 7063715 DZEIYOXEWBWDRQ-IRXDYDNUSA-N 321.461 2.489 0 40 DEAB CC[C@H](C(=O)N1CCN(c2cnn(C)c2)CC1)c1ccccc1 80485230 XUBHXZRJXOZERB-KRWDZBQOSA-N 312.417 2.263 0 40 DEAB CC1CCN(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)CC1 7459820 ZVETYSLPZKBDQO-CQSZACIVSA-N 315.417 2.482 0 40 DEAB CSc1nc(C(C)C)nc(C)c1C(=O)NCc1nccn1C 80654042 WTVJNZNUHJZGBT-UHFFFAOYSA-N 319.434 2.294 0 40 DEAB C[C@@H](NCC1CCS(=O)(=O)CC1)c1c(F)cccc1F 90883037 UIVHBKKHZDXJGT-SNVBAGLBSA-N 303.374 2.440 0 40 DEAB CCO[C@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 71836532 LVYAKGLUSZWOQY-AWEZNQCLSA-N 314.385 2.029 0 40 DEAB COc1ccc(NC(=O)C[C@H]2CCCO2)c(C(=O)NC2CC2)c1 71883090 PIVGKZOAFVCWSX-CYBMUJFWSA-N 318.373 2.095 0 40 DEAB CC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)c(C)c2)CC1 71835110 BCPANOAHZBVTQJ-IAGOWNOFSA-N 300.402 2.098 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 71871297 DLAIBGAYILCHQY-CQSZACIVSA-N 324.852 2.188 0 40 DEAB C[C@H](C(=O)NC1CCSCC1)N1CCc2ccccc2C1 71893317 GKNKXARNTNEPHA-CYBMUJFWSA-N 304.459 2.445 0 40 DEAB c1csc(-c2nnc(CN3CCC[C@H](C4OCCO4)C3)o2)c1 71910854 SSZXXBHTMHVBNL-NSHDSACASA-N 321.402 2.383 0 40 DEAB O=C(NCc1ccco1)N[C@@H](CO)Cc1c[nH]c2ccccc12 72274005 OMWPDWRLOFGKIU-CYBMUJFWSA-N 313.357 2.164 0 40 DEAB Cc1cccc(S(=O)(=O)CCCN2CCOCC[C@H]2C)c1 97094686 CLCNIPFRNFWYMD-OAHLLOKOSA-N 311.447 2.270 0 40 DEAB Cc1nnc2n1C[C@@H](NC(=O)CCCc1cccs1)CC2 97198480 MUNFBYALKUXULH-LBPRGKRZSA-N 304.419 2.102 0 40 DEAB CC[C@H]1C[C@H](C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)CCO1 97109408 MRFGGMKKTZDEQT-ZJUUUORDSA-N 319.336 2.206 0 40 DEAB O=C(NCC(=O)c1ccco1)c1cc(-c2cccs2)n[nH]1 97107455 GICVCMURNDYYIG-UHFFFAOYSA-N 301.327 2.344 0 40 DEAB Cn1c(CN2CCC[C@@H]2c2noc(C3CC3)n2)nnc1C1CC1 72300055 PNCFPVAAOLTOBO-GFCCVEGCSA-N 314.393 2.290 0 40 DEAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@@H]1c1cccnc1 84422177 RAMOKOSYPZJEEY-MRXNPFEDSA-N 309.369 2.236 0 40 DEAB CC1CCC(C(=O)NCCc2ccc(OCC(N)=O)cc2)CC1 95401284 NFPOGSNXDYIVAW-UHFFFAOYSA-N 318.417 2.036 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(F)c(Br)c1 95403533 IQJWXCZUNDSHRC-SECBINFHSA-N 315.186 2.364 0 40 DEAB O=C(Nc1cnn(-c2ncccn2)c1)N[C@@H]1CCc2ccccc21 76092537 YJAWJNMQXGUERN-OAHLLOKOSA-N 320.356 2.471 0 40 DEAB CC(C)c1nnc2n1C[C@H](NC(=O)CCCn1cccc1)CC2 95997789 DZXBUKPHGPKWIC-CQSZACIVSA-N 315.421 2.114 0 40 DEAB Cc1cnc([C@H](C)CNC(=O)Nc2c[nH]c(=O)c(C)c2)s1 95939204 BMTNPPDSAIPAAB-SECBINFHSA-N 306.391 2.373 0 40 DEAB COC(=O)[C@H](C)[C@H](NC(=O)Nc1cn[nH]c1)c1ccccc1 75106676 CQOBFZYPHCDIDG-MFKMUULPSA-N 302.334 2.082 0 40 DEAB COc1cccc(CN2CCN(c3nccn4ccnc34)CC2)c1 306131427 KEBQBMPRAOHFRH-UHFFFAOYSA-N 323.400 2.060 0 40 DEAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C[C@@H](O)[C@]2(C)C(=O)C[C@H](O)[C@@H]12 123372424 NOPYZVBPEGTQKJ-NBUIGQSUSA-N 320.429 2.109 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(Cl)cc1 409382622 VLSQZNNETAZASQ-FJJYHAOUSA-N 307.733 2.323 0 40 DEAB Cc1cc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)o1 70640466 AUZPLXSPKAOPLF-LBPRGKRZSA-N 300.358 2.390 0 40 DEAB O=C(C[C@@H](c1ccccc1)[C@@H]1CCCNC1)N1CCOCC1 72208352 AJUDMAFXEWVXJJ-SJORKVTESA-N 302.418 2.019 0 40 DEAB Cc1cc(CC(=O)NCCNc2ccc3ccccc3n2)no1 73941089 HMKTYZJHNJCICX-UHFFFAOYSA-N 310.357 2.302 0 40 DEAB Cc1nonc1CNc1cccc(C[C@H]2CCCNCC2)n1 72365452 JWKGOIZPAJQLHZ-ZDUSSCGKSA-N 301.394 2.317 0 40 DEAB Cc1nn(C)c2c(N3C[C@H](C)O[C@H](C)C3)nc(C(C)C)nc12 32651051 PPHWVYHWZDNUPK-PHIMTYICSA-N 303.410 2.409 0 40 DEAB Cc1noc(C2CCN(C(=O)COc3ccccc3F)CC2)n1 41121722 DBVGUYWXSJTFNA-UHFFFAOYSA-N 319.336 2.302 0 40 DEAB CCN(CCC(F)(F)F)S(=O)(=O)c1c[nH]c(C(C)C)n1 80742399 TXBIPADVGOSGBG-UHFFFAOYSA-N 313.345 2.496 0 40 DEAB Cc1noc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)n1 42384371 NKHRVRJHFNBAGP-UHFFFAOYSA-N 300.293 2.442 0 40 DEAB CC(=O)c1cccc(NC(=O)COc2c(C)occc2=O)c1 40284557 FZDVXRRUAHEDSO-UHFFFAOYSA-N 301.298 2.168 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2ncoc2C2CC2)CC1 328813079 NIDARDXSDRMJOG-UHFFFAOYSA-N 315.377 2.183 0 40 DEAB COC[C@H](C)NC(=O)CCc1nc(-c2ccccc2C)no1 225817048 LQPZPWXNSLIHAA-LBPRGKRZSA-N 303.362 2.129 0 40 DEAB O=C(Cn1cncn1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 96420582 DZUNMNUOCQTBIA-NSHDSACASA-N 318.686 2.351 0 40 DEAB O=C(c1ccncc1)N1CC[C@@H]2O[C@@H](COCC3CC3)CC[C@@H]21 96186695 WVLQAJUDPHQOFX-IKGGRYGDSA-N 316.401 2.270 0 40 DEAB Cc1ccc(F)c(-n2nnnc2CSCc2nnc(C)o2)c1 96467830 REMUPVMTIBDXRX-UHFFFAOYSA-N 320.353 2.235 0 40 DEAB Cc1cc(-c2nn3c(Cc4c(C)noc4C)nnc3s2)on1 95474264 UVFKIUHMKFVJPC-UHFFFAOYSA-N 316.346 2.345 0 40 DEAB CCOC(=O)c1cc2c(nc1N)CCN(C(=O)OC(C)(C)C)C2 95630778 GIEBXCMDAUWEBC-UHFFFAOYSA-N 321.377 2.134 0 40 DEAB CC(C)CC(=O)N1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1 96245325 WADZTQVKSDPGFD-HOCLYGCPSA-N 318.392 2.289 0 40 DEAB Cc1cc(CNC(=O)N2CCN(Cc3cccs3)CC2)on1 141662898 QGHLURLLYNBFGL-UHFFFAOYSA-N 320.418 2.072 0 40 DEAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 96420019 NSABQBPLNWVYQV-LDYMZIIASA-N 304.173 2.180 0 40 DEAB C[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)C[C@@H](C)O1 96192732 DUVYWRFDLJVUQZ-XNJGSVPQSA-N 302.374 2.206 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCc2sc(Br)cc2C1 95097551 YCSHTMQPLMHXDA-NSHDSACASA-N 317.252 2.379 0 40 DEAB Cc1cccnc1[C@@H](NCC(=O)N1C[C@H](C)O[C@H](C)C1)C(C)C 96424390 APALGGGJXPQKDZ-UXLLHSPISA-N 319.449 2.313 0 40 DEAB CN(C)C(=O)CN1CCC[C@]12CCCN(Cc1ccsc1)C2 96214874 QBMJLHUXGHBZLJ-KRWDZBQOSA-N 321.490 2.267 0 40 DEAB CS(=O)(=O)[C@@](Cl)(Br)[C@H](O)c1ccccc1 96519689 WKXKQLBNIHUGGO-RKDXNWHRSA-N 313.600 2.052 0 40 DEAB Cc1cc(C)n(C[C@@H](C)Nc2ccc3nnc(C4CC4)n3n2)n1 95403115 VIZNZTSOKPVWCZ-LLVKDONJSA-N 311.393 2.316 0 40 DEAB Cc1c(C(=O)N2CCC(O)(CN)CC2)sc2cc(F)ccc12 332247884 QTWQANWAQQGVTB-UHFFFAOYSA-N 322.405 2.275 0 40 DEAB CCOc1ccc(CSc2nnnn2Cc2ccco2)nc1 96459516 QZEMCLNRSGCAQN-UHFFFAOYSA-N 317.374 2.400 0 40 DEAB Cc1ccc(Br)cc1C(=O)OCCC(=O)N(C)C 96441892 GKSHUUZVUHRIIC-UHFFFAOYSA-N 314.179 2.393 0 40 DEAB CN(C)c1ccc(C(=O)N[C@H]2[C@@H](CO)[C@H]3CC[C@@H]2C3)c(F)c1 95445624 QOFIFOLKLUJHOU-FJXFWJLJSA-N 306.381 2.029 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@@H]21 96043487 ILVDYYRYHUALGY-BRWVUGGUSA-N 318.417 2.033 0 40 DEAB CN(C)c1cc(N2CC3(C[C@H](OCC4CC4)CS3)C2)ncn1 248131746 QMMLXSJNWNSNLC-ZDUSSCGKSA-N 320.462 2.034 0 40 DEAB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CNC(=O)OCC(F)(F)F 245338959 PRNHAYNUPWTOKN-OUAUKWLOSA-N 322.327 2.455 0 40 DEAB C[C@H](CN1CCOCC1)N[C@H](C[C@H]1CCOC1)c1ccccc1 248744973 NBQPFWUNUXHQFS-ZHALLVOQSA-N 318.461 2.465 0 40 DEAB CO[C@H]1C[C@@H]2CN(C(=O)CCN3CCc4ccccc43)C[C@@H]2C1 257225957 FIOZQMMQJKVYTH-FVQHAEBGSA-N 314.429 2.323 0 40 DEAB CCn1nccc1-c1cncc(CC2CCN(C(C)=O)CC2)n1 257340111 ZEPKRZSLTXSQLY-UHFFFAOYSA-N 313.405 2.161 0 40 DEAB Cc1cc2cc(C(=O)N3CC[C@@]4(CCCO4)[C@@H](O)C3)ccc2o1 257231386 GGMHXLJFGODYNN-WMZOPIPTSA-N 315.369 2.497 0 40 DEAB C[C@@H](C(=O)NCc1csc(=O)[nH]1)[C@@H]1OCCc2sccc21 294840745 FHUVDTAQIUXLME-PELKAZGASA-N 324.427 2.064 0 40 DEAB CCN1CCC[C@H](NC(=O)N2CCOc3ccc(F)cc3C2)C1 494393637 PKDCNZXIWVVJFB-HNNXBMFYSA-N 321.396 2.214 0 40 DEAB CSCC(=O)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575405903 KQEQZMZEHJYGJL-AWEZNQCLSA-N 317.414 2.036 0 40 DEAB O=C(C1CC(F)C1)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575403326 IBGXCTYMPKABCU-BPCQOVAHSA-N 322.405 2.295 0 40 DEAB CCC(C)(C)N1CCN(C(=O)NCCc2cc(C)no2)CC1 685938884 YSEOCVDNLDFMIE-UHFFFAOYSA-N 308.426 2.041 0 40 DEAB O=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccnc1 48957754 IGLNWDAWZKCBPV-INIZCTEOSA-N 309.369 2.175 0 40 DEAB C[C@@H](NC(=O)NCc1ccccc1F)C(=O)N1CCCC[C@H]1C 69414328 OMCHOWAWQOCZGJ-CHWSQXEVSA-N 321.396 2.414 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69536507 DFCQSUGNJLRBPV-DLBZAZTESA-N 318.465 2.055 0 40 DEAB CCn1nc(C)c(CN[C@@H]2CCCN(c3cccnn3)C2)c1C 69949919 STGVANVKEMFBLU-OAHLLOKOSA-N 314.437 2.068 0 40 DEAB O=C(NCc1ccccc1)c1ccc(N2C(=O)C=CC2=O)cc1 66088770 UGCUCHVZTMZRHW-UHFFFAOYSA-N 306.321 2.046 0 40 DEAB O=C(N1CCc2ccccc2CC1)C1(O)Cc2ccccc2C1 73762198 NFBWEWFXDMKUCK-UHFFFAOYSA-N 307.393 2.144 0 40 DEAB Cc1cccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)N2)c1 14606990 YTPARIXRROLYGZ-OAHLLOKOSA-N 322.368 2.290 0 40 DEAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cc(C)ccc1C 17306817 VRSNQEQKMXOPTJ-UHFFFAOYSA-N 323.374 2.004 0 40 DEAB O=C(Cc1csc(NC(=O)C2CC2)n1)NC1CCCCC1 9659494 JFNCCSIDWXRSEO-UHFFFAOYSA-N 307.419 2.483 0 40 DEAB O=C(O)[C@@H](CO)Nc1nc(-c2ccccc2)nc2ccccc12 13056335 TUTDJJOPMGCNMC-CQSZACIVSA-N 309.325 2.154 0 40 DEAB biogenic O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 8266572 DEESLUCJZOYXNB-UONOGXRCSA-N 319.405 2.118 0 40 DEAB Cc1cn2nc(C(=O)Nc3ccc4c(c3)OCCO4)ccc2n1 1888906445 BQSWRCLLEIIFOJ-UHFFFAOYSA-N 310.313 2.061 0 40 DEAB O=C(O)C1(NS(=O)(=O)c2ccc(Cl)s2)CCCC1 36960583 GOXDOIDDCBSYHU-UHFFFAOYSA-N 309.796 2.077 0 40 DEAB Cc1cccc(O[C@H]2CCN(C(=O)OC3CCOCC3)C2)n1 238826795 DYFSWVFRIFCMGC-AWEZNQCLSA-N 306.362 2.159 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1ccc(C)cc1)C2 1565543274 PTSKTJUNKNCMNN-VQIMIIECSA-N 314.429 2.302 0 40 DEAB Cc1csc2ncc(C(=O)Nc3cccc(F)c3)c(=O)n12 4121139 XNBHORQIPRJSRK-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB COC(=O)c1ccc2c(c1)S(=O)(=O)N(C)c1ccccc1O2 15109652 UAOFXSHAMILYCN-UHFFFAOYSA-N 319.338 2.404 0 40 DEAB Cn1cnc2c(NC[C@](O)(c3ccccc3)C3CC3)ncnc21 1775972044 AGORFHSSRUFJFO-KRWDZBQOSA-N 309.373 2.073 0 40 DEAB O=C(Cc1cccnc1)NCc1nccnc1-c1ccsc1 575620547 UVBQABIPDARXAA-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB Cc1ccn2c(=O)c(C(=O)NC3CCCCCC3)c(O)nc2c1 9830167 NQBRCTQEYNMUFA-UHFFFAOYSA-N 315.373 2.161 0 40 DEAB CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2cccnc2)c1 15435796 JZJPWXPMTVLSPA-UHFFFAOYSA-N 319.386 2.021 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)C1CC1 40156738 WLBAWJGXQRIBIC-KRWDZBQOSA-N 320.458 2.233 0 40 DEAB CCCC(C)(C)NC(=O)CCN1C(=O)c2ccccc2C1=O 50498550 QLYAKSVTDJUKDU-UHFFFAOYSA-N 302.374 2.368 0 40 DEAB Cc1ccccc1CCNC(=O)Cn1ncc2ccccc2c1=O 40490274 VDMAXZUQCHJMSF-UHFFFAOYSA-N 321.380 2.064 0 40 DEAB Cc1cc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)on1 40468882 RAYRQJNXRLNHQY-JTQLQIEISA-N 303.293 2.479 0 40 DEAB CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(Cn2cccn2)o1 40541072 JEZARNWMCWQSRS-CQSZACIVSA-N 318.421 2.231 0 40 DEAB CCOc1ccccc1NC(=O)[C@H](C)n1c(C)cc(C)nc1=O 938773 BWLCMJDOXCXBMF-ZDUSSCGKSA-N 315.373 2.459 0 40 DEAB COc1cccc(N2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c1 101277682 HZCDZYSJORTYCS-LSDHHAIUSA-N 322.324 2.193 0 40 DEAB COc1ccc(C)cc1NC(=O)c1nc2nc(C)cc(C)n2n1 2658212 KTQNSDOSPMGHQH-UHFFFAOYSA-N 311.345 2.310 0 40 DEAB COCCNC(=O)c1cccc(OCc2csc(C)n2)c1 32193279 GEOMGNRKSRAADQ-UHFFFAOYSA-N 306.387 2.407 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCc1ccccc1Cl 6728845 ZBXQOTMSXFISFI-UHFFFAOYSA-N 300.767 2.423 0 40 DEAB O=C(NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)C1(O)CCSCC1 101877680 PLMFBNIAVVOSMC-OAGGEKHMSA-N 317.454 2.337 0 40 DEAB COC(=O)c1cccc(NS(=O)(=O)Cc2ccccc2)c1 10112239 KEVRVGIABCVXAG-UHFFFAOYSA-N 305.355 2.415 0 40 DEAB Cc1ccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c2c1 507682 KDKZLQHJFLAXEC-UHFFFAOYSA-N 309.373 2.121 0 40 DEAB CCCCOc1ccc(S(=O)(=O)N[C@H](CC)CO)cc1C 54363439 NPHGHPAPWAZQQI-CYBMUJFWSA-N 315.435 2.223 0 40 DEAB Cc1ccsc1/C=C/C(=O)N1CCN(C[C@H]2CCCO2)CC1 23625136 UZZCQBZJPUIYSF-MBVDDHJVSA-N 320.458 2.393 0 40 DEAB COc1ccc(OC[C@@H](O)CN2CCOCC2)c(C(C)(C)C)c1 27531066 WDUZZBDAWRLFCZ-AWEZNQCLSA-N 323.433 2.065 0 40 DEAB CN(C)C[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1 55295318 XFXBQBJOHZMUOF-INIZCTEOSA-N 318.442 2.138 0 40 DEAB c1ccc(-c2n[nH]cc2CNC[C@H]2CN(C3CC3)CCO2)cc1 106380609 KDMDKRLPKZHIPB-KRWDZBQOSA-N 312.417 2.030 0 40 DEAB COc1ccc(OC)c2c1CN([C@H](C)c1nnc(C)o1)C[C@@H]2O 106863279 CZXKAVHFXOSMPN-SKDRFNHKSA-N 319.361 2.005 0 40 DEAB Cc1ccc(C)c([C@H]2CN(CCn3cncn3)[C@@H](C)CO2)c1 107064417 QKEOHWGGKAHUSF-DOTOQJQBSA-N 300.406 2.357 0 40 DEAB Cn1c(S)nnc1-c1ccc(I)cc1 107339392 YSLDNOYGMMBIHN-UHFFFAOYSA-N 317.155 2.375 0 40 DEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(F)cc1 58062020 DBCZTWUVYZYQRW-RYUDHWBXSA-N 322.380 2.208 0 40 DEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCCCCC1 44866146 GAJMLFDNOUYRAQ-SSZFMOIBSA-N 311.389 2.382 0 40 DEAB O=C(NCc1ccc(Cn2cncn2)cc1)Nc1cccnc1 44895118 GUDPGTUXLMQWGE-UHFFFAOYSA-N 308.345 2.043 0 40 DEAB CCCn1nc(C(=O)NCCc2cccc(Cl)c2)ccc1=O 44867979 YMBWFVYGCFFYKB-UHFFFAOYSA-N 319.792 2.279 0 40 DEAB COc1c2c(cc3c1[C@@H](C[C@@H](O)C(C)C)N(C)CC3)OCO2 2159662 YOXGNJRAWXKDHZ-CHWSQXEVSA-N 307.390 2.360 0 40 DEAB biogenic Cc1nn(C)c(C)c1NC(=O)c1[nH]c2c(c1C)C(=O)CCC2 45000599 HUWDJWWSYRKUIW-UHFFFAOYSA-N 300.362 2.445 0 40 DEAB COc1ccc(-c2nnsc2C(=O)NC[C@H]2CCCO2)cc1 36357229 GOLSBQMVCUVZQF-GFCCVEGCSA-N 319.386 2.123 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1CC(=O)CN1C(=O)OCc1ccccc1 36462626 UOZXRTSYHFCTJZ-AWEZNQCLSA-N 319.357 2.308 0 40 DEAB CCc1ccc(CN(C)[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 12756491 QPLOOFUUDWDADP-LBPRGKRZSA-N 314.437 2.275 0 40 DEAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc2c(c1)CCO2 48234368 SNBLHLUYZPSZGV-NSHDSACASA-N 307.371 2.124 0 40 DEAB CC(C)N(C(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)C(C)C 3464749 AKBWYKICVSJEEJ-GUYCJALGSA-N 323.437 2.133 0 40 DEAB CCC[C@@H]1NC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 12915943 SWLBQILRROKRSW-AWEZNQCLSA-N 317.389 2.469 0 40 DEAB CCc1noc([C@H](C)N2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)n1 69842457 HPWSRGRTDUJRLM-YUTCNCBUSA-N 306.410 2.168 0 40 DEAB O=C(CCn1cc(Br)cn1)NCc1ccccc1 27968890 QBJGQWXMFCHJMI-UHFFFAOYSA-N 308.179 2.352 0 40 DEAB Cc1cccc(OCCNC2=NS(=O)(=O)c3ccccc32)c1 14019481 FMPQXQOOTWBEKX-UHFFFAOYSA-N 316.382 2.113 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)C/C(=C/c3cccnc3)C2=O)cc1 5451716 MLQWPVKUEQFBAV-ZROIWOOFSA-N 322.320 2.354 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cn2ccccc2n1 8776063 DYHUNWBPYSRRSI-OAHLLOKOSA-N 324.384 2.494 0 40 DEAB CCCN1C(=O)N/C(=C/c2cc3c(cc2OCC)OCO3)C1=O 4814910 WYFAXASFIKPQFZ-IZZDOVSWSA-N 318.329 2.117 0 40 DEAB CC(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976013 BSIZWKCDPJMMGD-CYBMUJFWSA-N 306.381 2.131 0 40 DEAB Cc1cc2ccccc2n1CC(=O)NCc1nnc2ccccn12 7241254 XEMYXSFBIODYGZ-UHFFFAOYSA-N 319.368 2.309 0 40 DEAB CN(C)C(=O)[C@H](Sc1nnnn1C(C)(C)C)c1ccccc1 16291141 ODDVCGBDPNXUCJ-GFCCVEGCSA-N 319.434 2.350 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(COC)o1)CC2 93613199 NZDRUGZOQOFABD-HZPDHXFCSA-N 309.406 2.178 0 40 DEAB CC(=O)c1cnn(CN2CCN(Cc3cccs3)CC2)c1C 71792387 KHVLCVSLNQYQIE-UHFFFAOYSA-N 318.446 2.231 0 40 DEAB CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CCCN(C)C2)cc1 96419268 WLMXEIHFSLRBKP-CHWSQXEVSA-N 308.447 2.386 0 40 DEAB CN(CC(N)=O)C(=O)CCCOc1cccc(Cl)c1Cl 71833077 NGCRFGYXDRBCAP-UHFFFAOYSA-N 319.188 2.096 0 40 DEAB CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 71850095 ILDDNAKCJZARKZ-LBPRGKRZSA-N 307.394 2.107 0 40 DEAB C[C@@H]1CCC[C@@H](OCC(=O)NCCC(=O)N2CCCCCC2)C1 71903043 AQTMFKJCQJECMW-HZPDHXFCSA-N 324.465 2.491 0 40 DEAB CCN(CC)CC(=O)NC1CCN(c2cccc(F)c2)CC1 71915546 NUHOSJRCEPYBKA-UHFFFAOYSA-N 307.413 2.253 0 40 DEAB COCCCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 9694438 PPNQXEZYVBJSCM-NRXISQOPSA-N 312.454 2.106 0 40 DEAB COc1ncnc(N(C)C)c1NC(=O)[C@@H](C)c1ccsc1 89913464 HUIVRPPYQVAIGZ-VIFPVBQESA-N 306.391 2.355 0 40 DEAB CCCN(C(=O)CCn1cncn1)[C@H]1C[C@H](OCC)C1(C)C 72293691 LEFKSTBGNHNERU-KBPBESRZSA-N 308.426 2.110 0 40 DEAB Cn1cccc1C(=O)Nc1ccccc1-n1ccc(C(=O)O)n1 97018067 SKJNLPMKYADMLE-UHFFFAOYSA-N 310.313 2.161 0 40 DEAB Cc1cc(C)n(CCC(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)n1 76022477 SOXXOZPNTYLQHT-IMJJTQAJSA-N 305.422 2.210 0 40 DEAB Cn1cc(CC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cn1 77328644 WZJGHUHOENSOSA-AWEZNQCLSA-N 313.357 2.055 0 40 DEAB O=C(NC[C@H](C(=O)O)c1ccccc1)c1ccnc(Cl)c1 95425559 WKFSARFDYXARPU-LBPRGKRZSA-N 304.733 2.333 0 40 DEAB Cc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 78847469 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40 DEAB O=C(CN1CC(c2nc(C3CC3)no2)C1)OCc1ccccc1 75156392 ZCWLBCCCQGPIDY-UHFFFAOYSA-N 313.357 2.090 0 40 DEAB CC(C)CNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241439 MIBPSBHZYFONKA-HUUCEWRRSA-N 324.808 2.011 0 40 DEAB CC[C@@H](NC(=O)Cn1ccccc1=O)c1cc(F)ccc1F 77137719 BBXAWTQPLIIXLH-CQSZACIVSA-N 306.312 2.394 0 40 DEAB CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(Cl)nc12 43465513 AAKJCBNEUOKKTQ-UHFFFAOYSA-N 303.753 2.191 0 40 DEAB C[C@H]1CN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)C[C@@H](C)O1 226747425 RYAFSGXMRVMEKE-JKDFXYPNSA-N 320.364 2.345 0 40 DEAB Nc1ncc2c(n1)CN(Cc1ccccc1C(F)(F)F)C2=O 41123031 IGFKTEKOGZWHFV-UHFFFAOYSA-N 308.263 2.234 0 40 DEAB O=C(NCCc1ccccn1)C(=O)Nc1ccc(F)c(Cl)c1 42645853 DQIYOSXIIZMLMJ-UHFFFAOYSA-N 321.739 2.172 0 40 DEAB COC(CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)OC 85345135 ZOKAUHQRYCCPFT-UHFFFAOYSA-N 323.780 2.421 0 40 DEAB Cc1nc2c([nH]1)CC[C@@H](C(=O)Nc1onc3c1CCCC3)C2 225516166 LTSWRKFBINQOES-SNVBAGLBSA-N 300.362 2.329 0 40 DEAB c1cc(CN2CCO[C@@H]3CN(CC4CC4)CC[C@@H]3C2)ccn1 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CC[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 12602185 LFYFJKVSXVECHL-RWMBFGLXSA-N 314.476 2.147 0 40 DEAB biogenic,in-vitro C[C@H]1CN(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CCS1 161754421 OREAYKIWCXATFF-NSHDSACASA-N 317.418 2.451 0 40 DEAB CC(C)(CN[C@H](Cc1ccccn1)C1CC1)N1CCOCC1 155352031 RSSCVHJXIUWBPB-QGZVFWFLSA-N 303.450 2.103 0 40 DEAB c1sc(C2CC2)nc1CN1CCN(c2cnsn2)CC1 1889084135 HUOHSYQGTYSMFP-UHFFFAOYSA-N 307.448 2.194 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CCN(C)C3=O)C2)c1 1565542254 LOQAIGUGEUAVIL-GOSISDBHSA-N 300.402 2.388 0 40 DEAB O=CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 9425718 RNTQHIQZNFUNQA-UHFFFAOYSA-N 308.381 2.119 0 40 DEAB Cc1cccc(CN[C@@H]2CCc3onc(CN(C)C)c3C2)n1 2055734900 WUHNDBCXUMLHLC-CYBMUJFWSA-N 300.406 2.087 0 40 DEAB CN(C)Cc1noc2c1C[C@@H](NC(=O)Cc1cccs1)CC2 2055732730 VWKDYODCWUFREN-NSHDSACASA-N 319.430 2.014 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](OCC3CC3)C2)c1 575619385 SNDJWDRVPLPMKF-HNNXBMFYSA-N 309.431 2.493 0 40 DEAB COc1ccc(CCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 168687 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COCc1ccc(OCCN2CCCC2=O)c2ncccc12 59474718 LUBZSMOEYSBRAK-UHFFFAOYSA-N 300.358 2.382 0 40 DEAB CCCCCNCc1nc2cc(OC)c(OC)cc2c(=O)[nH]1 58176573 XUJUFYSCNUXSKC-UHFFFAOYSA-N 305.378 2.220 0 40 DEAB Cc1c(C(=O)OCC(=O)NC[C@@H]2CCCO2)oc2ccccc12 3393045 BEHYKBFRROFORA-LBPRGKRZSA-N 317.341 2.193 0 40 DEAB CN(Cc1ccncc1)C(=O)CNC(=O)CC1CCCCC1 58390919 AWGBIEZXWOCNOL-UHFFFAOYSA-N 303.406 2.127 0 40 DEAB O=C1NCCCC[C@H]1Sc1nncn1CCc1cccs1 11169849 SBDXMQWZULDFAV-GFCCVEGCSA-N 322.459 2.343 0 40 DEAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3)c1 20431833 LTYLHVBOWQOERS-UHFFFAOYSA-N 304.371 2.464 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69808142 UOSHLWYPZBHJMI-TUKIKUTGSA-N 305.422 2.480 0 40 DEAB CC(C)CCNC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5084422 VZCXQADXZLDHOJ-UHFFFAOYSA-N 307.781 2.212 0 40 DEAB COc1ccccc1CNc1nc2nc(C)c(Cl)c(O)n2n1 18187637 UDXLQKWTQPSLKM-UHFFFAOYSA-N 319.752 2.412 0 40 DEAB O=C(NCc1ccc(F)c(Cl)c1)c1cn2c(n1)COCC2 65231591 VMTSXOYXZGCKRH-UHFFFAOYSA-N 309.728 2.136 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 71280072 WDFQLVQMIKUMFE-IUCAKERBSA-N 302.252 2.396 0 40 DEAB CC(=O)Nc1ccc(C(C)=O)cc1OCC(=O)N1CCCCC1 8777942 SHAYTRHTNAZOGM-UHFFFAOYSA-N 318.373 2.239 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)c1 14201245 KLHYDYWQJOTZIV-BZNIZROVSA-N 322.405 2.042 0 40 DEAB CCOC(=O)C1=C(C)NC(=O)C[C@@H]1c1cc(OC)ccc1OC 5592119 PNNFKLKGKJLYKI-CYBMUJFWSA-N 319.357 2.144 0 40 DEAB COc1cccc(NC(=O)CS(=O)(=O)c2ccc(C)cc2)c1 4785238 BFMRPHBSINIHFL-UHFFFAOYSA-N 319.382 2.416 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1 8709347 CKKRZVLMVRYKFH-UHFFFAOYSA-N 306.325 2.242 0 40 DEAB O=C(O)CCCCCNS(=O)(=O)c1cccc2cccnc12 4892401 LXCJZRJFNHGEBD-UHFFFAOYSA-N 322.386 2.158 0 40 DEAB COc1cccc(-c2cc3c(N4CCOCC4)nccn3n2)c1 67284845 LZOMRYSUCUQPSP-UHFFFAOYSA-N 310.357 2.242 0 40 DEAB CNC(=O)[C@@H]1CN(C(=O)c2cc(C)cc(C)c2)c2ccccc2O1 15616899 SOTDRXBVWKOHBB-KRWDZBQOSA-N 324.380 2.457 0 40 DEAB O=S1(=O)CCN2C(c3cc4ccccc4o3)=CSC2=N1 7777891 PDWFUIQLGRURHG-UHFFFAOYSA-N 306.368 2.479 0 40 DEAB Cc1n[nH]c(SCC(=O)NCc2cc3ccccc3o2)n1 81010084 JCSBZQMPWALXJG-UHFFFAOYSA-N 302.359 2.268 0 40 DEAB CN(c1ccc(F)c(F)c1)S(=O)(=O)C[C@H]1CCCCO1 68898756 HYODTXDBDNQRBB-LLVKDONJSA-N 305.346 2.300 0 40 DEAB COC(=O)[C@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 96011264 WSCSMSUBZCGVKP-GJZGRUSLSA-N 316.401 2.141 0 40 DEAB CCn1ccnc1CNCc1ccc(OC)c(OC)c1OC 72093905 DFBKLKXPKUCZPY-UHFFFAOYSA-N 305.378 2.219 0 40 DEAB CC(C)(CCS(C)(=O)=O)CNCc1cccc2cn[nH]c12 84045655 QIMCDBOUBJMBHJ-UHFFFAOYSA-N 309.435 2.113 0 40 DEAB O=C(O)c1cn2ccc(Cl)c(I)c2n1 71788982 OHVUNVWTDIQYQL-UHFFFAOYSA-N 322.489 2.291 0 40 DEAB CC(C)OCCCNC(=O)C[S@](=O)Cc1ccc(F)cc1 71859195 AJNJTWYFEJDHIK-NRFANRHFSA-N 315.410 2.006 0 40 DEAB O[C@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1 71876309 HPISNHJEFYTMGA-HZPDHXFCSA-N 304.369 2.005 0 40 DEAB CC[C@H]1CCCC[C@@H]1OC(=O)C1CCC2(CC1)NC(=O)NC2=O 71913754 HHENHJDQDPGNPR-BBYOUEMTSA-N 322.405 2.267 0 40 DEAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1csnn1 72286512 NELBWIJHDVMSJJ-NSHDSACASA-N 306.366 2.076 0 40 DEAB CC(C)c1cccc(NC(=O)Cn2cnc3c(N)ncnc32)c1 72269965 NXTJNNKROVKGOH-UHFFFAOYSA-N 310.361 2.171 0 40 DEAB COCCn1ccc2cc(NC(=O)NC[C@H](O)C(C)C)ccc21 72294241 WYMRMBWIVUPSOR-INIZCTEOSA-N 319.405 2.426 0 40 DEAB CCc1nn(C)cc1CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 97033847 VETSMMWOTUYPBM-CQSZACIVSA-N 322.453 2.472 0 40 DEAB O=C(CCN1CCC(N2CCCC2=O)CC1)c1ccc(F)cc1 97045699 XFYVQXYQQINQJW-UHFFFAOYSA-N 318.392 2.485 0 40 DEAB Cc1n[nH]cc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 97085658 FEWQMXBYVFADNM-UHFFFAOYSA-N 317.317 2.163 0 40 DEAB CC1(C)C[C@@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C(C)(C)O1 97049647 NAZGXTNMIMYZTB-RRFJBIMHSA-N 318.417 2.290 0 40 DEAB Cc1nn(CCO)c(C)c1CNCCc1cccc2cccnc12 97159979 FAOQSWRVFXYICN-UHFFFAOYSA-N 324.428 2.373 0 40 DEAB COc1ccsc1C(=O)Nc1ccc(OCC(N)=O)cc1C 75605845 OEQUHHHCOBGCEF-UHFFFAOYSA-N 320.370 2.182 0 40 DEAB Cc1ccc(-c2noc(N[C@H](C)CCS(C)(=O)=O)n2)cc1 97233413 QBZHMKXUOXDOMT-LLVKDONJSA-N 309.391 2.280 0 40 DEAB CN1CCN(C2CCN(CCOc3cccc(F)c3)CC2)C1=O 75604127 IQCDZALJEUKMHS-UHFFFAOYSA-N 321.396 2.036 0 40 DEAB Cn1c(Cl)cnc1CN1CC[C@@H](CNc2ccccn2)C1 97200584 GSJUJQDOKLAXGP-LBPRGKRZSA-N 305.813 2.403 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H](C)C1 75611604 WRNFNNBOABHTDF-RWMBFGLXSA-N 304.456 2.030 0 40 DEAB O=C(CC1CCOCC1)N1CCC[C@@H]1c1noc(C2CC2)n1 76044651 GEUDYAWPRBWIGH-CYBMUJFWSA-N 305.378 2.427 0 40 DEAB COc1cccc([C@@H](O)CNc2nc(N)c3ccccc3n2)c1 95449383 RVOIKTBXUIPRLS-HNNXBMFYSA-N 310.357 2.366 0 40 DEAB CCN(CCO)C(=O)c1ccc(NC(=O)CC(C)C)c(C)c1 95430205 SYBWALKVDKGRIJ-UHFFFAOYSA-N 306.406 2.434 0 40 DEAB O=C(c1ccncc1Cl)N1CCN(c2cccc(O)c2)CC1 95429427 BZAAYRDQPVLGPV-UHFFFAOYSA-N 317.776 2.403 0 40 DEAB C[C@@H](c1ccccc1F)N(C)Cc1nc(O)c2cnn(C)c2n1 97922805 UGSCFLJMRAPCIC-JTQLQIEISA-N 315.352 2.401 0 40 DEAB CNC(=O)[C@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 78626106 AKFGGWQKESFHFS-URZJAHPPSA-N 304.434 2.187 0 40 DEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(F)cc2)C1 95948219 QDKDEFZVSQSSGI-TXEJJXNPSA-N 300.399 2.138 0 40 DEAB COC[C@@](C)(NC(=O)c1ccc2ccccc2c1)C(=O)OC 79093839 SNZAATGQABFOAC-QGZVFWFLSA-N 301.342 2.148 0 40 DEAB Cc1c(C(=O)N2CCCC[C@H]2CCO)oc2c1C(=O)CCC2 89568162 LBIVRJAJAXKJQT-LBPRGKRZSA-N 305.374 2.484 0 40 DEAB O=C(Nc1ccccn1)N[C@@H]1CCN(c2ccccc2F)C1=O 75137533 NJNSXLHSGUFETQ-GFCCVEGCSA-N 314.320 2.148 0 40 DEAB CCOC(=O)c1c(I)cnn1C(C)C 408717433 ZYAPLGUFKGJYGK-UHFFFAOYSA-N 308.119 2.245 0 40 DEAB Cc1ccn2cc(C(=O)NC3CCN(CC(F)F)CC3)nc2c1 60240845 VYGULYRRQWRSDJ-UHFFFAOYSA-N 322.359 2.102 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@H]2[C@@H](C1=O)c1ccc(O)cc1N2C 39960649 PLKZPALLQJMCCO-NUTKFTJISA-N 311.385 2.478 0 40 DEAB CCc1nccn1CCCNC(=O)COc1ccccc1F 72242655 GHPLOWBUBPADQQ-UHFFFAOYSA-N 305.353 2.170 0 40 DEAB Cc1c(C(=O)N2CCC(C)CC2)sc2nc(C)n(C)c(=O)c12 31865618 BFRCHAZFTXMTGJ-UHFFFAOYSA-N 319.430 2.484 0 40 DEAB CCc1ccccc1CNC(=O)Nc1ccn(CCOC)n1 77698002 IZQUUQVURFRXLX-UHFFFAOYSA-N 302.378 2.414 0 40 DEAB c1cncc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 72390054 OWTPDBRJWXZEAX-CQSZACIVSA-N 322.372 2.301 0 40 DEAB CCn1cnnc1[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 565938375 RYHHWBHVJAKDAW-LBPRGKRZSA-N 313.409 2.046 0 40 DEAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)NCCCCC(C)(C)C 77662301 RBUXKGBCONVFKP-STQMWFEESA-N 318.483 2.420 0 40 DEAB Cc1cc(C)c(N2CC[C@H](NCc3ccnn3C)C2=O)c(C)c1 188943600 JPMJEDWUFVSEJW-INIZCTEOSA-N 312.417 2.240 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2F)cn1 72330283 XYFDONNYBUSPMX-UHFFFAOYSA-N 320.295 2.141 0 40 DEAB O=C(c1cccnc1-n1cccn1)N1CCSc2ccncc21 191962687 REKQMUWKAKKUDX-UHFFFAOYSA-N 323.381 2.415 0 40 DEAB C[C@](O)(CNC(=O)[C@@H]1CC=CCC1)c1ccc2c(c1)OCO2 75170246 VAZNFEUCGFGZFU-PXAZEXFGSA-N 303.358 2.095 0 40 DEAB C[C@@H]1CN(C)[C@H](C)C[C@H]1Nc1ccc(NC(=O)CN(C)C)cc1 221344026 IYMJHEFEYZGKDW-CKEIUWERSA-N 318.465 2.327 0 40 DEAB CCc1nnc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)n1CC 139888895 QLLMRVDCPPNACH-UTUOFQBUSA-N 308.451 2.257 0 40 DEAB Cc1nnc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)s1 226747526 RQMCDBNHMSFADQ-LBPRGKRZSA-N 308.388 2.430 0 40 DEAB Cn1ccnc1C(=O)NCCc1ccc(OC(F)(F)F)cc1 96421336 CMXISKVRVUJORS-UHFFFAOYSA-N 313.279 2.291 0 40 DEAB O=C(CSc1cn[nH]n1)Nc1ccc(OC(F)(F)F)cc1 95482005 JBWOHKKXJUQJAP-UHFFFAOYSA-N 318.280 2.434 0 40 DEAB CC(C)N(C)[C@@H]1CCN(c2ncccn2)[C@H]1Cc1ccncc1 96201015 UVMTXJFPXRRPMT-SJORKVTESA-N 311.433 2.402 0 40 DEAB Cc1nc([C@@H]2C[C@H]3CN(Cc4scnc4C)C[C@H]3O2)no1 96045870 PCWISUKXXMHYET-SDDRHHMPSA-N 306.391 2.105 0 40 DEAB Cc1cc(C)n(CC2CCN(C(=O)C[C@@H](O)C(C)C)CC2)n1 96486816 DSFBBDRZEXPART-MRXNPFEDSA-N 307.438 2.146 0 40 DEAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2ccnn2C1 96188892 JATCDXQSKLVZHR-HNNXBMFYSA-N 301.390 2.170 0 40 DEAB COc1ccc([C@H](C)[C@@H](C)NC[C@](C)(O)c2cnn(C)c2)cc1 96478297 RQZPVTXIGZYQMM-LBTNJELSSA-N 317.433 2.418 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccco2)N1c1ccsc1 96055734 RTSHPYQIWGTIGX-NWDGAFQWSA-N 302.355 2.361 0 40 DEAB CCC1(CO)CCN(C(=O)[C@H](C)NC(=O)C2CCCCC2)CC1 95450966 BOGJVLGUZBFCOR-AWEZNQCLSA-N 324.465 2.083 0 40 DEAB O=C(NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCCOC1 96451656 YYDCBFJLTSZDNN-CYBMUJFWSA-N 322.371 2.194 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccccc2)no1 96261355 LTMAPQWKDUJHLA-SJORKVTESA-N 313.401 2.370 0 40 DEAB O=C(c1n[nH]c2c1CN(CC1CCCCC1)CC2)N1CC=CC1 96187395 YDNOHUZJYNCREV-UHFFFAOYSA-N 314.433 2.360 0 40 DEAB COC[C@@H]1CN(Cc2ccc(OC)cc2)Cc2nccn2C1 96187747 IDQWKHVAXWRZKZ-OAHLLOKOSA-N 301.390 2.170 0 40 DEAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCOC1 96431479 FGYSOASEIWXMHC-ZDUSSCGKSA-N 317.364 2.097 0 40 DEAB c1csc(CN2CC[C@@]3(COCCN([C@@H]4CCOC4)C3)C2)c1 96202181 XGZSTFVDFDCHJZ-NVXWUHKLSA-N 322.474 2.061 0 40 DEAB O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1csnn1 96456414 HCKNTKVTNMMHDE-JTQLQIEISA-N 308.794 2.200 0 40 DEAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccco2)n1 96055759 RKFGLKLTYGNMKN-DLBZAZTESA-N 311.385 2.358 0 40 DEAB CO[C@@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn2C1 247814119 ACVAGDTUTLCRET-OAHLLOKOSA-N 322.368 2.102 0 40 DEAB CC(C)c1ccc(C(=O)N2CC[C@@H](c3ccn[nH]3)C2)c(O)n1 257336928 YQPLRZPDYRIDLC-LLVKDONJSA-N 300.362 2.263 0 40 DEAB CC(=O)N1CCO[C@H](c2cccc(Nc3cccc(C)n3)n2)C1 257333630 YCJHFPCDLRWGQA-HNNXBMFYSA-N 312.373 2.448 0 40 DEAB O=C(NCCS(=O)(=O)CCc1ccccc1)[C@H]1CC=CCC1 252492723 MUIGVDDWXZSFQT-INIZCTEOSA-N 321.442 2.116 0 40 DEAB Cc1cncc([C@H]2CCCN2S(=O)(=O)c2cccs2)n1 257271646 MZEHLVKUYDXQBP-GFCCVEGCSA-N 309.416 2.372 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)n1 257298999 ROGXSGQOSLYEHK-WMZOPIPTSA-N 318.465 2.365 0 40 DEAB COCCN(Cc1ccoc1)C(=O)c1ccc2c(c1)OCO2 85474257 VUUHNEADNNIPIM-UHFFFAOYSA-N 303.314 2.297 0 40 DEAB Cc1occc1C(=O)N1C[C@H]2C(=O)N(c3ccccc3)C[C@H]2C1 96080766 IAURWPIHLYJAMY-CZUORRHYSA-N 310.353 2.323 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575405746 ZRGMOLSSPHTBFN-VHDGCEQUSA-N 318.442 2.341 0 40 DEAB FC(F)(F)Cn1nnnc1-c1cccnc1Br 685938386 QMMAMKXTGFKXGG-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB COC(=O)[C@@H](NC(=O)C1=CCCCO1)c1ccccc1Cl 74226733 NOPKQXGUGVQEEF-ZDUSSCGKSA-N 309.749 2.365 0 40 DEAB CCc1n[nH]c([C@H]2CN(Cc3ncc(C(C)C)o3)CCO2)n1 83830196 IWDOUVXWRSLGGK-GFCCVEGCSA-N 305.382 2.052 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 97374355 OBYLBHGPJYJSFX-RWMBFGLXSA-N 319.405 2.390 0 40 DEAB CCOC(=O)c1cn(C2CC2)c2c(O)c(F)c(F)cc2c1=O 113154403 RUIZYAGCNHBFJT-UHFFFAOYSA-N 309.268 2.497 0 40 DEAB in-vitro Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)o1 532349886 HMXXCMDTMFPJMS-ZETCQYMHSA-N 301.755 2.071 0 40 DEAB CCOC(=O)C(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)OCC 5952717 NUTCFCRMWDHHTB-DZGCQCFKSA-N 311.422 2.383 0 40 DEAB biogenic COc1ccc(CC(=O)Nc2ccc(SC)nn2)cc1OC 11791973 BPIQABQMGMYNIA-UHFFFAOYSA-N 319.386 2.397 0 40 DEAB Cc1nc(C(F)(F)F)ccc1C(=O)NCCn1ccnc1C 19656601 XRAQZMZTJZEUNO-UHFFFAOYSA-N 312.295 2.344 0 40 DEAB C[C@H](NC(=O)CN1CCCC[C@@H]1C(=O)O)c1ccc(Cl)cc1 158490333 YUMCTYHIWJAICU-SMDDNHRTSA-N 324.808 2.456 0 40 DEAB O=C(O)c1cccc(Cl)c1CN1CCC[C@@H](n2cncn2)C1 579016443 SDZUAZXQBDHUOL-LLVKDONJSA-N 320.780 2.467 0 40 DEAB O=C([C@@H]1CCCN(c2ncccc2F)C1)N1CCSCC1 1889096014 DNQPAMWCTXJEBY-GFCCVEGCSA-N 309.410 2.013 0 40 DEAB C[C@H]1CC[C@H](C(=O)N2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)CC1 2055839572 RNHYWEVFBHIKPZ-QBYUYEEZSA-N 318.421 2.037 0 40 DEAB O=C(Nc1c(F)cccc1F)N1CC[C@H](Oc2ncccn2)C1 575610928 PLPVBCPTUXUVKE-JTQLQIEISA-N 320.299 2.440 0 40 DEAB C[C@@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CCO1 40479679 ANGBKKQFMMBREB-MVIFTORASA-N 305.765 2.248 0 40 DEAB CCOc1ccc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1 26377 VXFLIBHOGQYLIZ-UHFFFAOYSA-N 323.352 2.252 0 40 DEAB O=C(CSc1ncnc2ccccc12)NC[C@H]1CCCO1 254209 RUBKODHNWOUVCS-LLVKDONJSA-N 303.387 2.017 0 40 DEAB CC1(C)NC(=O)N(C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1=O 51259127 BRUBBEBYYIBFMR-SNVBAGLBSA-N 316.279 2.069 0 40 DEAB CCN(CCC(=O)N1CCc2ccccc21)C[C@H]1CCCO1 51554972 LNLCLUKMQMIOCU-MRXNPFEDSA-N 302.418 2.467 0 40 DEAB O=C(NCCCOCC1CC1)c1cc(=O)[nH]c2ccccc12 32750759 RYHBUNTWMZPGSR-UHFFFAOYSA-N 300.358 2.075 0 40 DEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1nnc(-c2cccs2)o1 102342617 SLJHBTOQBOKCJR-AOOOYVTPSA-N 315.354 2.249 0 40 DEAB O=C(CSc1nncs1)Nc1nnc(-c2ccccc2)o1 7194591 BRSGLVQDKJXSSY-UHFFFAOYSA-N 319.371 2.319 0 40 DEAB COC(=O)[C@@H](C)Sc1nc2ccccc2c2nc(C)nn12 32871491 RSOWTLIBXMBFCO-MRVPVSSYSA-N 302.359 2.240 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2nc3ccccc3n2C)n1 69616360 MLADYRKOWXMNON-HNNXBMFYSA-N 324.432 2.446 0 40 DEAB Cn1cc(/C=C/C(=O)NC2CCN(Cc3ccccc3)CC2)cn1 21633806 FRZDIYPXKQDJQJ-BQYQJAHWSA-N 324.428 2.214 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)CCCc1ccccc1 52802745 PCGWLFAGFXSYOQ-ZDUSSCGKSA-N 314.437 2.145 0 40 DEAB C[C@H]1CN(C(=O)c2snnc2-c2ccccc2)C[C@H](C)O1 1392872 WMTHUZNYUNSKRO-QWRGUYRKSA-N 303.387 2.455 0 40 DEAB OCCCSc1nnc(-c2cccnc2)n1Cc1ccco1 26122219 KWLKQMIZJKCVBT-UHFFFAOYSA-N 316.386 2.456 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCC(c2nnc3n2CCC3)CC1 47288777 FBDRENSGTQRPQE-CQSZACIVSA-N 300.406 2.287 0 40 DEAB CCCCCN(CCCCC)c1nc2c([nH]1)c(=O)[nH]c(=O)n2C 3019666 SNUNRYXBBJKAMF-UHFFFAOYSA-N 321.425 2.137 0 40 DEAB Cc1cc(NC2CCC(O)CC2)n2nc(C(F)(F)F)nc2n1 44648545 GFGRZTBEMMHFQT-UHFFFAOYSA-N 315.299 2.167 0 40 DEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC[C@@H](C(=O)O)C1)CC2=O 100751630 YOFGYQIZDUGKMQ-SSKCKEOISA-N 307.390 2.095 0 40 DEAB O=C(COCc1ccccc1Cl)N[C@@H]1CCN(C2CC2)C1 58174080 UXRXOYRODKUQGS-CYBMUJFWSA-N 308.809 2.210 0 40 DEAB Cc1nc2cc(N[C@H](C)C(=O)NC(=O)NCC(C)C)ccc2o1 10170229 YAXFXENIAQANBN-SNVBAGLBSA-N 318.377 2.418 0 40 DEAB COc1ccc2cc(CNC[C@@H]3CCS(=O)(=O)C3)ccc2c1 44862903 VMOFTDLOMMDIBY-AWEZNQCLSA-N 319.426 2.373 0 40 DEAB O=C(COc1ccccc1F)NCC[C@@H](O)c1ccccc1 72242656 PBALWZFMSWOAOK-OAHLLOKOSA-N 303.333 2.444 0 40 DEAB O=C(CNC(=O)N[C@H]1C[C@H]1c1ccccc1)NC1CCCCC1 58230583 FSTVCNLZVFNTPI-HOTGVXAUSA-N 315.417 2.291 0 40 DEAB CN(CCCc1ccccc1)c1nn2c(=O)ccnc2s1 44976175 VNMRTHRUQDTYJF-UHFFFAOYSA-N 300.387 2.220 0 40 DEAB Cc1noc(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)cc2)n1 27894174 CBYUMZSPAMJPHS-YGRLFVJLSA-N 301.346 2.342 0 40 DEAB CS[C@@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 58394021 DWBUKPYEVJBUOZ-NSHDSACASA-N 315.402 2.269 0 40 DEAB CCc1c(C)n(CCOC(C)=O)c2nc3ccccc3n2c1=O 20798373 FHJHMSQUTBHIFS-UHFFFAOYSA-N 313.357 2.083 0 40 DEAB O=C(COC(=O)CC1CCCC1)NCc1ccc2c(c1)OCO2 3234680 WLDSKWODUKCYLK-UHFFFAOYSA-N 319.357 2.155 0 40 DEAB COc1cc(C(=O)OCc2nc(C)no2)cc2c1O[C@H](C)C2 28401278 HHBFNFXLQQXVFJ-MRVPVSSYSA-N 304.302 2.067 0 40 DEAB CCc1nnc(CN(CC)C[C@H]2COc3ccccc3O2)o1 48230409 TUSUAZQGPVWLGG-LBPRGKRZSA-N 303.362 2.294 0 40 DEAB CCOc1ccc(CC(=O)NCc2ccnc(OC)c2)cc1 48272473 VMZXYHFAQPGEPZ-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB COc1cc2nc(C)sc2cc1NC(=O)N1CCOCC1 69778236 OXHZFSSPUZUGOD-UHFFFAOYSA-N 307.375 2.477 0 40 DEAB CCc1nnc2n1CCN(Cc1noc(-c3cccc(C)c3)n1)C2 69596543 NNVOZCCWNJOTHP-UHFFFAOYSA-N 324.388 2.215 0 40 DEAB CCn1cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCCC3)C2)cn1 69849024 MVAHWERUDXVCPZ-CYBMUJFWSA-N 318.421 2.413 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 69879491 OOOXHWMXFKWKLH-SNVBAGLBSA-N 317.216 2.132 0 40 DEAB Cc1nc(NCCn2cccn2)c2cnn(-c3ccccc3)c2n1 69894181 BZMIVYSDKDQDRN-UHFFFAOYSA-N 319.372 2.433 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)N)c1 63194058 MUIQAHAXDLVVDL-DGCLKSJQSA-N 300.399 2.025 0 40 DEAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 49171482 BGRWUUBCAASZMI-CQSZACIVSA-N 304.365 2.204 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O 23656600 STHMBRNZQNCSPT-UHFFFAOYSA-N 321.421 2.104 0 40 DEAB Cc1ccc([C@H](CNc2cnn(C)c(=O)c2Cl)N(C)C)cc1 64114151 SZPYPRRLJWXKHQ-AWEZNQCLSA-N 320.824 2.457 0 40 DEAB C[C@H](C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)n1cncn1 65505006 USSFBGNSJBFEHW-RISCZKNCSA-N 320.780 2.093 0 40 DEAB COc1ccc(OCCNC(=O)COc2ccccc2)cc1 14197806 MWUJAUCOQKUMTP-UHFFFAOYSA-N 301.342 2.269 0 40 DEAB COCc1cc(=O)[nH]c2cc(NC(=O)C(F)(F)F)c(C)cc12 8829086 BDFUISMYITVFEA-UHFFFAOYSA-N 314.263 2.484 0 40 DEAB CCc1cccc(NC(=O)Cc2c(C)nc3nc(N)nn3c2C)c1 14245220 XXIQOTCWVPSJQD-UHFFFAOYSA-N 324.388 2.067 0 40 DEAB Cc1ccc(-n2nnnc2-c2cn(C)c3ccccc3c2=O)cc1 5795054 NCLHFMACTQUBMD-UHFFFAOYSA-N 317.352 2.490 0 40 DEAB CCN(CC)CCOC(=O)C[C@H]1Sc2ccccc2NC1=O 5952395 QKHAFIKEAYPZLB-CQSZACIVSA-N 322.430 2.375 0 40 DEAB Cc1cc(CN2CCC[C@H](CCNC(=O)C3(N)CC3)C2)oc1C 71278993 YXPDNFZMBNPDBD-OAHLLOKOSA-N 319.449 2.106 0 40 DEAB CCc1cc2c(=O)n(CC)c(S[C@@H]3CCOC3=O)nc2s1 7736101 VEAACBHNCXTAEN-SNVBAGLBSA-N 324.427 2.448 0 40 DEAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 81705889 FUWMZNHORVFLFZ-FUHWJXTLSA-N 324.380 2.423 0 40 DEAB CCCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19832161 QHLJCCXINOMBSX-UHFFFAOYSA-N 304.390 2.250 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)c1 71866033 FWUFZCNMJMEJCJ-ZBFHGGJFSA-N 305.422 2.388 0 40 DEAB CCN1CCO[C@H](CNCc2cc(Br)cs2)C1 71880850 VAVIAVXWKNQIJK-LLVKDONJSA-N 319.268 2.321 0 40 DEAB Cc1noc(C2CCN(C(=O)CCc3ccccn3)CC2)n1 71841878 BVFNZOCKOOGTTP-UHFFFAOYSA-N 300.362 2.112 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)c1 71865967 VLNYIGLIRLRYNW-GJZGRUSLSA-N 301.394 2.030 0 40 DEAB CN(C(=O)CCCNC(=O)C1CC1)[C@@H]1CCc2ccccc2C1 71907677 CHIHXSQYCWTMSL-QGZVFWFLSA-N 314.429 2.309 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)c2cc3c(C)cc(F)cc3[nH]2)C1 71909740 VWENCDRJDSETFR-CYBMUJFWSA-N 317.364 2.356 0 40 DEAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)Cn1cncn1 71900041 ALWGULFCKNQABW-CQSZACIVSA-N 320.368 2.027 0 40 DEAB CCN(CC)c1nc(C)cc(C(=O)Nc2c(C)nn(C)c2C)n1 72240372 PROGFHWIBSYWCG-UHFFFAOYSA-N 316.409 2.234 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1c(C)noc1Cl)C2 72279191 NFJMNVGEXNBTIY-NSHDSACASA-N 322.796 2.205 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC/C=C/c1ccccc1 72281523 MGBYZXDVCCSCTJ-PMGKTQQESA-N 303.406 2.302 0 40 DEAB Cc1noc(CN2CCC(n3ccc(C(F)(F)F)n3)CC2)n1 97048593 FUGBVQQELDDPFG-UHFFFAOYSA-N 315.299 2.430 0 40 DEAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CC(=O)NCC(F)(F)F 97052586 GLHYOXTZMWPZJQ-LKFCYVNXSA-N 314.307 2.105 0 40 DEAB CN(C(=O)c1c(F)cc(Br)cc1F)[C@H]1CCNC1 94716991 JRFQGPBKPQMWCF-QMMMGPOBSA-N 319.149 2.161 0 40 DEAB Cn1c(CNC(=O)c2cc(F)c(F)cc2F)nnc1C1CCC1 97108947 JPFYFYNPPDWHOF-UHFFFAOYSA-N 324.306 2.430 0 40 DEAB CC[C@H](CNC(=O)c1c(C)nn(C)c1OC)Oc1ccccc1 75610673 GJPPEJPRVGZQJJ-CYBMUJFWSA-N 317.389 2.325 0 40 DEAB C[C@H](CSc1ccccc1)C(=O)N1CCCC[C@@H]1C(N)=O 95396434 MCJQCYFNDVDUFK-TZMCWYRMSA-N 306.431 2.281 0 40 DEAB COc1cccc(C(=O)N2CCN(c3ccc(C)cn3)CC2)c1 76061635 XCYZGFBDEZTGKF-UHFFFAOYSA-N 311.385 2.361 0 40 DEAB CCN(CC)CCNC(=O)CNc1cc(Cl)ccc1OC 84771302 BZJIEDZNJYMANA-UHFFFAOYSA-N 313.829 2.219 0 40 DEAB CO[C@@H]1CCCN(S(=O)(=O)c2cc(F)c(C)cc2F)C1 95417512 WLHJUUWTXOPLFO-SNVBAGLBSA-N 305.346 2.073 0 40 DEAB CCc1nc(C(=O)N[C@H](C(=O)OC)c2ccccc2Cl)c[nH]1 95408017 CQMJLSPAZJTMBM-ZDUSSCGKSA-N 321.764 2.270 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)CC(=O)O 95425018 NCUDCHCCNNQQIR-JTQLQIEISA-N 302.330 2.172 0 40 DEAB CCc1nc(NS(=O)(=O)c2ccc(C)cc2Cl)no1 95994128 DLOVHJOCGPCBSS-UHFFFAOYSA-N 301.755 2.395 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)c3ccnc(C4CC4)n3)C2)n[nH]1 89599011 RATSVSDBLYJINF-ZDUSSCGKSA-N 311.389 2.405 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)[nH]n2)cc1 79066415 FZORRYSOOWITIR-UHFFFAOYSA-N 323.374 2.121 0 40 DEAB Cc1cc(CS[C@@H]2CCCN(c3cnn(C)c3)C2=O)no1 89605004 QOJZYLDWHCKENQ-CYBMUJFWSA-N 306.391 2.145 0 40 DEAB CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)/C=C/C1CC1 79843929 XYIKVYOSNXVLQO-PSKZRQQASA-N 320.414 2.106 0 40 DEAB COCCOc1cccc(NC(=O)N[C@]23C[C@@H]2COC3(C)C)c1 528925554 YKHLYLBMFKCDDU-SJKOYZFVSA-N 320.389 2.401 0 40 DEAB NC(=O)CN1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72379435 QSXXVAXLPPLWFY-CQSZACIVSA-N 316.792 2.419 0 40 DEAB O=C(O)c1cc(O)n(-c2ccc(Br)cc2F)n1 217702944 IVQOHMKPLFWVQA-UHFFFAOYSA-N 301.071 2.178 0 40 DEAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2)N1 34792230 VOMJKYKNVFYOMS-CVEARBPZSA-N 307.353 2.340 0 40 DEAB biogenic COC[C@H]1CCCN(CC(=O)Nc2ccccc2C(C)=O)C1 79091053 YNKQFFIMOCDPPL-AWEZNQCLSA-N 304.390 2.186 0 40 DEAB CCc1cccc2c(=O)c(C(=O)NCc3cccnc3)c[nH]c12 35289165 QLKHGHHPGUJTLV-UHFFFAOYSA-N 307.353 2.416 0 40 DEAB CC(=O)N1CCN(c2ncc([C@H](N)c3ccccc3)cc2C)CC1 72222699 LCYFRZLCMWZPMO-GOSISDBHSA-N 324.428 2.107 0 40 DEAB O=C(C1CCC1)N1[C@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 72327385 ALUXPPQYOQGOHT-UONOGXRCSA-N 323.396 2.112 0 40 DEAB CN(CC(=O)O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 79390911 JKOAVTMSIKDBKN-OAHLLOKOSA-N 320.389 2.194 0 40 DEAB CCOc1cc(NC(=O)c2cncc(Br)c2)ncn1 75166473 JIEGDKSVKKGBJG-UHFFFAOYSA-N 323.150 2.285 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(Br)c(N)c2)C[C@@H](C)O1 40292406 DEGNYIQEPQMKRL-DTORHVGOSA-N 313.195 2.281 0 40 DEAB CCCCc1noc(C2CCN(C(=O)CCCC(=O)O)CC2)n1 46087474 HRYOQSBDDOASPH-UHFFFAOYSA-N 323.393 2.373 0 40 DEAB CCOC(=O)c1cccc(NC(=S)NCCCN(C)C)c1C 225402614 MWAZFFVBAJLPPM-UHFFFAOYSA-N 323.462 2.410 0 40 DEAB COc1ccc(-c2nnc(S[C@H](C)C(=O)O)[nH]2)cc1OC 224973695 RNDRSFICGLSIIZ-SSDOTTSWSA-N 309.347 2.054 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2cc(O)cc(F)c2)c1C 331326713 OYZFYELDGMZCKS-UHFFFAOYSA-N 313.354 2.165 0 40 DEAB Clc1nc(N2CCOCC2)c2cnn(-c3ccccc3)c2n1 143485854 UNZYDOANPDGUSA-UHFFFAOYSA-N 315.764 2.306 0 40 DEAB c1ccc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)nc1 96042268 UDPFYLKDEPEQBY-YQQAZPJKSA-N 300.358 2.485 0 40 DEAB O=C(NC[C@H](O)c1c(F)cccc1F)[C@@H]1COc2ccccc21 96437373 XXDOPQVPPAGOAS-RISCZKNCSA-N 319.307 2.291 0 40 DEAB CCc1nc(CC)n(CC(=O)Nc2cccc(C(C)=O)c2)n1 96448184 INVAHLRDVLTIJP-UHFFFAOYSA-N 300.362 2.244 0 40 DEAB Cc1ccc(NC(=O)c2ccoc2)cc1N1CCCS1(=O)=O 96419189 USYNWUOAHPFLLH-UHFFFAOYSA-N 320.370 2.380 0 40 DEAB O=C1CC2(CCN(CCO)CC2)c2ccccc2N1CC1CC1 96243955 YEQAJFXKWRNAEP-UHFFFAOYSA-N 314.429 2.159 0 40 DEAB CCn1cc(N[C@H](C)C(=O)NC(=O)Nc2ccccc2F)cn1 97377360 MNKWMPIVOANBMR-SNVBAGLBSA-N 319.340 2.191 0 40 DEAB CNc1cc(C)nc([C@H]2CN(Cc3c[nH]nc3C)CCO2)c1 257258735 KVHGVJKKLAIOLF-MRXNPFEDSA-N 301.394 2.037 0 40 DEAB O=C(CC1(O)CCCCC1)N1CCNC[C@@H]1c1ccccc1 257227185 FOAYOWBRVXRNIR-MRXNPFEDSA-N 302.418 2.245 0 40 DEAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2ccsc2)C3)cn1 253598314 HTFPSYHJYDFSKH-CQSZACIVSA-N 317.414 2.351 0 40 DEAB Cn1nc(-c2ccccc2)cc1C(=O)N[C@@H]1CCn2nccc2C1 253473077 RGCAHRDFQJPSJQ-CQSZACIVSA-N 321.384 2.028 0 40 DEAB COCCN1CCC[C@@H](c2cn3cccc3c(N(C)C)n2)C1 257329200 XIWZQHNQVMDORP-CQSZACIVSA-N 302.422 2.226 0 40 DEAB NC(=O)CC1CCN(C(=O)NCCc2cccc(Cl)c2)CC1 43478782 LTGNNCNAFDDRLS-UHFFFAOYSA-N 323.824 2.180 0 40 DEAB Cc1nc(CN(C2CC2)S(=O)(=O)c2cccnc2)oc1C 63537089 DHVMGBAPPRYUHV-UHFFFAOYSA-N 307.375 2.040 0 40 DEAB C[C@@H](C(=O)NCc1cccc(OCC(N)=O)c1)c1cccs1 96431565 SQXFFRLGWMSHIQ-LLVKDONJSA-N 318.398 2.032 0 40 DEAB Cc1ccccc1C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 97237898 OQQNPMKMSPPHPM-GOSISDBHSA-N 324.424 2.492 0 40 DEAB O=C(CNC(=O)c1c[nH]c2ccc(F)cc12)Nc1cccnc1 89794061 KUJQGQJQJMRXMY-UHFFFAOYSA-N 312.304 2.071 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1c(F)cccc1Br 1083806366 ODFSYEGEWAJFSR-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB COc1ccccc1NC(=O)C(=O)NCCCc1ccccc1 5184276 IRMDZWPNOMHOFF-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB O=C(NO)Nc1ccc(Cc2ccc(NC(=O)NO)cc2)cc1 5598866 UXFQTQGYQJWDQU-UHFFFAOYSA-N 316.317 2.299 0 40 DEAB CN1C(=O)/C(=C\c2nc3ccccc3c(=O)[nH]2)c2ccccc21 13549976 VIGMKRNVSASYHN-RAXLEYEMSA-N 303.321 2.440 0 40 DEAB Cn1ccnc1N1CCN(C(=O)CCC2CCCCC2)CC1 13668255 MJIFZSKFYCLZEL-UHFFFAOYSA-N 304.438 2.429 0 40 DEAB CCc1ncc(CN2CCN(C3CCCCC3)C(=O)C2)cn1 19523435 FKFHCBXDDVCNOY-UHFFFAOYSA-N 302.422 2.016 0 40 DEAB O=C(O)[C@@H]1[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1 204848839 RNTIHOVXFWISGI-RRFJBIMHSA-N 302.351 2.327 0 40 DEAB Cn1ccc2c(N3CCC(COc4cnccn4)CC3)ncnc21 1889139162 RIZNSNFGOJHYEV-UHFFFAOYSA-N 324.388 2.054 0 40 DEAB Cc1cc(C(=O)NC[C@H](OCCO)c2ccsc2)c(C)o1 575620025 HQSFEHUZQOEIGP-AWEZNQCLSA-N 309.387 2.438 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)NCc2nc(C)cs2)cc1 40422600 SGQIFTIIVYCEDN-UHFFFAOYSA-N 310.400 2.133 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C)CC)ccc21 428733 IGWUTYDQFHROAS-NSHDSACASA-N 310.419 2.063 0 40 DEAB Cc1cc(=O)n(Cc2ccccc2)c(=O)n1Cc1ccccc1 240081 JMEQRQUZONDCEX-UHFFFAOYSA-N 306.365 2.415 0 40 DEAB COC[C@H](C)NC(=O)CCCc1nc(-c2ccc(F)cc2)no1 32481387 ZAIUUNDMJFICBK-NSHDSACASA-N 321.352 2.350 0 40 DEAB Cc1ccc(OC(F)F)c(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c1 6922569 OCXKRFIXCDPEGI-MPZDIEGVSA-N 323.295 2.263 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn(C)c2)CC1 8140085 BEQSXPVQWLLLDY-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB COC(=O)c1c(C)cccc1NC(=O)c1cccnc1OC 32760654 JLEAJCKULZLOGC-UHFFFAOYSA-N 300.314 2.438 0 40 DEAB CCCNC(=O)[C@H](C)N1CCN([C@H](C)c2cccc(F)c2)CC1 89959135 KSQANIWVNWBYSC-CABCVRRESA-N 321.440 2.419 0 40 DEAB Cc1cc(C)cc(OCC(=O)N[C@H](C(N)=O)c2ccccc2)c1 12171162 UEPAAQASNRNYIS-KRWDZBQOSA-N 312.369 2.025 0 40 DEAB CC(C)Oc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 8594231 HBYZGZANTCLNIT-LBPRGKRZSA-N 300.318 2.049 0 40 DEAB CN1CCc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2C1 803887 MXAWWWLKTMPTOC-UHFFFAOYSA-N 318.446 2.395 0 40 DEAB CSC[C@@H](CCO)NC(=O)NCc1ccccc1Cl 76019915 JJZFNUPMKJGMTM-LLVKDONJSA-N 302.827 2.253 0 40 DEAB COC[C@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 23055648 JZILZPIIPVBWGY-VIFPVBQESA-N 315.295 2.206 0 40 DEAB C=Cc1cccc2c1O[C@]1(C)NC(=S)N[C@@H]2[C@H]1C(=O)OCC 100870323 PUVKVEHSIJXBBP-MKBNYLNASA-N 318.398 2.136 0 40 DEAB O=C(NCCc1cccnc1)c1ccc(Cn2cccn2)cc1 23875310 FWSXKMUYLJRUTL-UHFFFAOYSA-N 306.369 2.299 0 40 DEAB COc1ccc(-c2nc(CCNC(=O)[C@@H]3CCCO3)co2)cc1 69741792 PLAQPOSDJNXPQM-HNNXBMFYSA-N 316.357 2.188 0 40 DEAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCOCC1 57632471 DMLCIFLZODCNLE-GFCCVEGCSA-N 304.173 2.321 0 40 DEAB CCn1c(=O)n(CC(=O)N[C@H](C)c2ccccn2)c2ccccc21 25405654 HPGKXTFMWHMEKZ-CYBMUJFWSA-N 324.384 2.095 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1 12533065 DEBUAIFMIXEANO-UHFFFAOYSA-N 315.348 2.319 0 40 DEAB O=S(=O)(c1ccc(N2CCCCCC2)nc1)N1CCCC1 25778220 OVNLAVHHDNMJRR-UHFFFAOYSA-N 309.435 2.247 0 40 DEAB C[C@@H](NC(=O)CNc1cc(Cl)ccc1C(N)=O)c1ccco1 25746370 ILMXNEBEWHZJAY-SECBINFHSA-N 321.764 2.321 0 40 DEAB CC1(CNC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)Cc2ccccc2C1 108155106 LGYWYHFXDFFZNA-OWCLPIDISA-N 300.402 2.411 0 40 DEAB CCCN(CCCS(=O)(=O)O)c1ccc(N=O)c(O)c1 28630897 FNTOMPCYJCXKDL-UHFFFAOYSA-N 302.352 2.284 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)n(C)n1 58210279 PXGMERVKQUOXRG-GFCCVEGCSA-N 322.409 2.457 0 40 DEAB O=C(NCCc1ccsc1)NCc1cn2ccccc2n1 44950776 GBCMFGKOVJVLQP-UHFFFAOYSA-N 300.387 2.438 0 40 DEAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)OCO2 3234265 SRVIGSWRIZXVHV-UHFFFAOYSA-N 317.272 2.350 0 40 DEAB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 12634441 YISKJLULZGDHLG-STQMWFEESA-N 300.358 2.109 0 40 DEAB C[C@H](CCc1ccccc1)N1CCO[C@H](Cn2cncn2)C1 70020791 VXJIKDCXSBZBCN-WBVHZDCISA-N 300.406 2.000 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 3607319 GLCTWBCSGMVGRQ-UHFFFAOYSA-N 315.373 2.107 0 40 DEAB NC(=O)c1ccsc1NC(=O)C[C@@H](C(=O)O)c1ccccc1 13255800 RQYOYYQZYHFNEV-LLVKDONJSA-N 318.354 2.044 0 40 DEAB C[C@H]1CN(c2cnn(C)c(=O)c2Cl)C[C@@H](c2ccccc2)O1 63254984 VBOKFHAKLXMFCH-FZMZJTMJSA-N 319.792 2.400 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1nc2ccccc2s1 17056118 CHQNJKLBTWYJPB-UHFFFAOYSA-N 322.415 2.447 0 40 DEAB Fc1ccc(Cc2nnc3sc(Cn4cccn4)nn23)cc1 49546676 KGZDQXGUPVKPTF-UHFFFAOYSA-N 314.349 2.161 0 40 DEAB C[C@@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccncc1 69419117 IIEXPZNZBWIEEN-CYBMUJFWSA-N 303.406 2.345 0 40 DEAB CN(C)CCCNC(=O)c1cnn(-c2ccccc2Cl)c1 49992770 OUWYMZOIYVXBHJ-UHFFFAOYSA-N 306.797 2.207 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(c2ccccc2)CC1 14052001 HGDYOTJJPLPBEX-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB COc1cc2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)[nH]c2cc1OC 5302127 QMDYVGJKKKOZQO-GHMZBOCLSA-N 318.373 2.435 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)n(C)n1 69533075 JBAAQIJCXVOBLP-LBPRGKRZSA-N 300.406 2.156 0 40 DEAB COCCCN1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4648659 HHEQARJBUANNFD-UKTHLTGXSA-N 323.370 2.474 0 40 DEAB C[C@H](NC(N)=O)C(=O)NC1c2ccccc2Oc2ccccc21 69593660 LYOPOWDGFXWPCA-JTQLQIEISA-N 311.341 2.055 0 40 DEAB CC(=O)Nc1cccc(NC(=O)CSc2ncccn2)c1 6653236 OGDJGBMYLQRVGU-UHFFFAOYSA-N 302.359 2.166 0 40 DEAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976115 IRUDLSXNIASDSR-JSGCOSHPSA-N 306.381 2.131 0 40 DEAB Cc1ccc(C)c(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c1 7203132 DXDHAVPIMDHHMA-SNVBAGLBSA-N 317.418 2.377 0 40 DEAB C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(N)=O 7434209 BKYCQYHRYJYOSQ-SECBINFHSA-N 308.334 2.064 0 40 DEAB COCCN1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 68493055 CWKFDXKXHHNRFP-HNNXBMFYSA-N 304.434 2.049 0 40 DEAB CC(C)[C@@H]1C[C@H](CC(=O)NCCCO[C@@H]2CCOC2)CCO1 96005774 OAUAXUMHMXNFIG-OAGGEKHMSA-N 313.438 2.140 0 40 DEAB COCCN(Cc1cccnc1)S(=O)(=O)c1ccccc1F 78470808 ZHTCAFSTVFWHCC-UHFFFAOYSA-N 324.377 2.058 0 40 DEAB COCc1cccc(C(=O)OCc2nc3ccccc3c(=O)[nH]2)c1 9451552 YCCXTEAZAKZVRS-UHFFFAOYSA-N 324.336 2.427 0 40 DEAB COC(=O)N1CCC[C@@H](C(=O)Nc2cc(C)nc(C(C)C)n2)C1 78611460 MYYCFDPFXVCWQP-GFCCVEGCSA-N 320.393 2.325 0 40 DEAB COc1cc(CNCc2c(C)noc2C)cc2c1OCCO2 71828181 MFBXWDFFNFXXAO-UHFFFAOYSA-N 304.346 2.361 0 40 DEAB Cc1c(C(=O)N2CCN(C[C@@H](C)O)CC2)sc2ccsc12 71871234 SHTYZJALABBWET-SNVBAGLBSA-N 324.471 2.410 0 40 DEAB Cc1ccc(NCCNC(=O)c2cc3c(F)cccc3[nH]2)nn1 71803298 DWDYQTGZMWPOGZ-UHFFFAOYSA-N 313.336 2.247 0 40 DEAB CC[C@@H](C)[C@H](C)NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 71853419 VCAAFIDDRFRYEK-ZJUUUORDSA-N 316.398 2.362 0 40 DEAB COc1cc(CNC[C@@H](O)c2ccccc2)cc2c1OCO2 71831310 HIAIULMMCNBXJW-CQSZACIVSA-N 301.342 2.247 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1 83820200 SXPLAUASWFWCJQ-SNVBAGLBSA-N 305.407 2.152 0 40 DEAB CCc1sc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C 83817507 FOBJNZRNOKIXBB-KBPBESRZSA-N 322.474 2.290 0 40 DEAB CN1CC[C@H](C(=O)N(Cc2ccco2)CC(F)(F)F)CC1=O 78886232 PBRGRXVYMJFECS-JTQLQIEISA-N 318.295 2.039 0 40 DEAB OCCOCCNC1(c2ccc(Br)cc2)CCC1 71916177 GJXQACCDUXTKHZ-UHFFFAOYSA-N 314.223 2.427 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 72235413 DEGRIIRLANNNRV-LSDHHAIUSA-N 306.410 2.018 0 40 DEAB COCCc1noc(CN2CCC[C@H]2c2noc(C(C)C)n2)n1 72271014 URORQNZWRHRVEW-NSHDSACASA-N 321.381 2.102 0 40 DEAB Cc1cc(C(=O)Nc2ccccc2-n2ccc(C(N)=O)n2)c(C)o1 72284869 IXPPENZNZUXACM-UHFFFAOYSA-N 324.340 2.433 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2cc3cc(C)ccc3o2)CC1 97032775 IJOWQYPQTKHRRI-QGZVFWFLSA-N 317.385 2.487 0 40 DEAB O=C(CCc1ccc(O)cc1)N1CCN(c2ccncc2)CC1 97080070 JJPSEVNGUUAMPS-UHFFFAOYSA-N 311.385 2.069 0 40 DEAB Cc1[nH]ncc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 78966984 BQMPDSUYDVTOIE-MRXNPFEDSA-N 312.417 2.455 0 40 DEAB CC(C)Oc1cncc(N2CCC(c3cnn(C)c3)CC2)n1 97163563 UKKIJTIGJLZCQR-UHFFFAOYSA-N 301.394 2.381 0 40 DEAB CCNC(=O)c1ccc(CNC(=O)Nc2ccncc2F)cc1 97135900 MHERLJMTBDHIAC-UHFFFAOYSA-N 316.336 2.292 0 40 DEAB OC[C@H](O)CNc1ncnc2scc(-c3ccc(F)cc3)c12 84419713 INEAXQATDSTDSO-LLVKDONJSA-N 319.361 2.263 0 40 DEAB Brc1cncc(N2CCC[C@H](C3OCCO3)C2)c1 95403169 PUHWGNWREYPSOV-JTQLQIEISA-N 313.195 2.433 0 40 DEAB Cc1nn(C)c(C)c1CCCNC(=O)c1cccc2cn[nH]c12 95461586 ZQVUTGFXDNQLMF-UHFFFAOYSA-N 311.389 2.276 0 40 DEAB O=C(OCC(=O)N1CCCCCC1)c1ccc2nsnc2c1 95466545 PCOCMTWUWNHLDB-UHFFFAOYSA-N 319.386 2.251 0 40 DEAB CC(C)n1cc(NC(=O)NCc2cccc(N(C)C)n2)cn1 95981892 HHDJZUKRVVNHKW-UHFFFAOYSA-N 302.382 2.247 0 40 DEAB C[C@H](CN(C)C(=O)/C=C/c1c(Cl)nc2ccccn12)C(=O)O 95970478 MJLJUQYLVKWAMC-VQCYPWCPSA-N 321.764 2.180 0 40 DEAB COCCC1(CNC(=O)NCc2cn3ccsc3n2)CCC1 89410111 KHTJOSMIQOEENT-UHFFFAOYSA-N 322.434 2.402 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)Nc1ccccc1SCC(N)=O 89522944 ZUJKYTAYAPFWLT-UHFFFAOYSA-N 319.390 2.248 0 40 DEAB CCc1cc(NC(=O)NCc2nc3c(s2)COCC3)no1 1548451874 OMYITGRXBWGUOB-UHFFFAOYSA-N 308.363 2.088 0 40 DEAB Cc1noc(CCNC(=O)COc2ccc(C(C)C)cc2)n1 60241538 UEFMETDYHZFNBV-UHFFFAOYSA-N 303.362 2.239 0 40 DEAB CCN(CC)CCNC(=O)[C@H](C)Cn1nc(C)c(Cl)c1C 32611198 COAWTSZHGCYDPZ-LLVKDONJSA-N 314.861 2.247 0 40 DEAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 31773288 PRNIEGHLTHHBAJ-VXGBXAGGSA-N 313.469 2.497 0 40 DEAB CCNc1nc(CSc2cnn[nH]2)c(C(=O)OCC)s1 1505840539 NKDCAYQSTUSSKQ-UHFFFAOYSA-N 313.408 2.162 0 40 DEAB Cc1ccc(CC(=O)NC[C@@H](C(=O)O)C2CCOCC2)cc1C 518704924 FHGFJQCSAISNBU-MRXNPFEDSA-N 319.401 2.090 0 40 DEAB CCOC(=O)[C@@H]1[C@@H](Oc2ccccc2)C(=O)N1c1ccccc1 218274049 FEWGDXZMRMBMHW-JKSUJKDBSA-N 311.337 2.413 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F 72227704 KZUCZINGVUUTEW-HZPDHXFCSA-N 314.316 2.012 0 40 DEAB c1cnc(NCC2CCOCC2)c(C[C@H]2CCCNCC2)n1 72365439 YKPXZVWYABKUNO-AWEZNQCLSA-N 304.438 2.247 0 40 DEAB Cc1cccc(C2=NO[C@H]3CN(Cc4cnc(C)nc4)C[C@H]23)c1 72343234 GFCHDOVTJUTZFO-IRXDYDNUSA-N 308.385 2.328 0 40 DEAB CC(C)[C@H](N)C(=O)N1CC[C@H](N(Cc2ccccc2)C2CC2)C1 79391078 MOVWGAXHOOSYJW-ROUUACIJSA-N 315.461 2.235 0 40 DEAB CCCc1nnsc1C(=O)NC[C@H]1Cc2ccccc2CO1 225785510 VIIKARFOBOIGOD-CYBMUJFWSA-N 317.414 2.362 0 40 DEAB CCCOC(=O)c1cc(-n2cnnc2)ccc1N1CCCC1 226276328 ZTMMFQOHLULIAW-UHFFFAOYSA-N 300.362 2.434 0 40 DEAB CC[C@H](C)[C@@H](CO)NC(=O)c1sc(-n2cccc2)nc1C 575443346 VGYZCEXOEPYVEU-CMPLNLGQSA-N 307.419 2.379 0 40 DEAB O=C(COc1ccccc1CO)NCCc1c(F)cccc1F 89129043 OSUMAZMSRRJOSI-UHFFFAOYSA-N 321.323 2.195 0 40 DEAB COc1cccc2c(N3CCS(=O)(=O)C[C@H](C)C3)nccc12 333755086 YJVHNAPGPMMJGR-GFCCVEGCSA-N 320.414 2.114 0 40 DEAB COCC[C@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1 96220224 RJJFKOBMJNLNEP-CQSZACIVSA-N 306.406 2.073 0 40 DEAB C[C@@H](c1ccccn1)N1CCN(C(=O)NCCC2CC2)CC1 96503160 JLODDGMBAZIRSA-AWEZNQCLSA-N 302.422 2.270 0 40 DEAB CC(C)(C)NCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 96437220 OULQMMWJXJZMFI-KBPBESRZSA-N 318.417 2.066 0 40 DEAB O=C(Nc1nccs1)N1CCC[C@@H](c2nnc3n2CCC3)C1 95405443 ZOROMWXGLBMSAM-SNVBAGLBSA-N 318.406 2.092 0 40 DEAB Cc1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)no1 97953711 TWIZBJADKUBQII-GVDBMIGSSA-N 315.373 2.189 0 40 DEAB CCS(=O)(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 96406699 INVJQGYYPQOZRB-NSHDSACASA-N 322.352 2.223 0 40 DEAB CC(C)NC(=O)[C@H]1CCC2(CCN(Cc3cnn(C)c3)CC2)C1 96227844 KPFBRMRCSPOHSJ-INIZCTEOSA-N 318.465 2.327 0 40 DEAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O2)no1 96046408 SPKCLJPVADVFAI-SDDRHHMPSA-N 319.386 2.432 0 40 DEAB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)NC(C)C)COC1 96112539 MAGIMGJFPIMTLO-LBPRGKRZSA-N 302.378 2.124 0 40 DEAB biogenic,in-vitro CS[C@H](C)CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 90726852 ICIOTACAEHQITJ-MNOVXSKESA-N 302.465 2.460 0 40 DEAB c1cnc(N[C@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)nc1 96048334 DBQXZXVFMHHACF-WBVHZDCISA-N 314.389 2.305 0 40 DEAB Cc1nc(Cn2nc(-c3ccco3)n(C3CC3)c2=O)cs1 96119123 XCWWAUYVXRBCMF-UHFFFAOYSA-N 302.359 2.453 0 40 DEAB CNc1ccccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 242538954 JJPHQMKIOLXWMK-GFCCVEGCSA-N 319.405 2.468 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(C)nc3O)C2)n1 257313989 UUYBCLMJBYDJJT-LBPRGKRZSA-N 300.362 2.147 0 40 DEAB Cc1cnc(C2(C)CCN(C(=O)c3cnccn3)CC2)s1 257258078 KSIOGTQCMLATSJ-UHFFFAOYSA-N 302.403 2.435 0 40 DEAB CCCn1cc(C(=O)N2CCO[C@@H](c3ccc(C)cn3)C2)cn1 257340281 ZFIHOGKNUWUZCE-MRXNPFEDSA-N 314.389 2.210 0 40 DEAB CCCn1cc(-c2cnc(C[C@H]3CCN(C(C)=O)C3)cn2)cn1 257267635 MIDVPJQQDMJOGZ-CQSZACIVSA-N 313.405 2.161 0 40 DEAB Cc1nccc(N2CCCC[C@@H]2c2cc(O)n3nccc3n2)n1 257337555 YTHFGANKIZCVEU-CYBMUJFWSA-N 310.361 2.265 0 40 DEAB CN(C)Cc1cnc([C@@H]2CN(CCc3ccccc3)CCO2)[nH]1 257303554 SHRNEUXEFOULEL-KRWDZBQOSA-N 314.433 2.087 0 40 DEAB COCc1cccc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)c1 257324604 WPLDFSCIQUAYMM-WMZOPIPTSA-N 319.401 2.243 0 40 DEAB Cc1ncoc1C(=O)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257255218 KGPPJGTZYFRDKS-LBPRGKRZSA-N 311.345 2.274 0 40 DEAB CCn1c(O)nnc1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 390828663 SQWBFLCSHLBLIW-NSHDSACASA-N 310.398 2.193 0 40 DEAB O=C(Nc1cnn(C2CCOCC2)c1)c1cnc2ccccc2n1 96123341 IXMSGYRIALKDSL-UHFFFAOYSA-N 323.356 2.430 0 40 DEAB O=C(CCc1ccno1)N1CC[C@@H](O)[C@H](Cc2ccccc2)C1 585275302 AADCSFZBKVGKNY-NVXWUHKLSA-N 314.385 2.059 0 40 DEAB Cc1ccc(C[C@H]2CCN(C(=O)c3cnoc3)C[C@@H]2O)cc1 585279839 QKVVBODXBDCDJE-ZBFHGGJFSA-N 300.358 2.049 0 40 DEAB O=C(NCCc1ccc(C2CCCCC2)cc1)[C@H]1CNCCO1 662620530 LYYSXIYGPLBEEQ-GOSISDBHSA-N 316.445 2.381 0 40 DEAB c1ccc(O[C@@H]2CCOC3(C2)CN(Cc2ccco2)C3)nc1 585105236 RCLPCXUBDGASKE-CQSZACIVSA-N 300.358 2.487 0 40 DEAB O=C(c1ccc(Br)o1)N1CCO[C@@H]2CCC[C@@H]21 44377030 ZZNALHFXUBNOEQ-DTWKUNHWSA-N 300.152 2.436 0 40 DEAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2cccnc2)C1 89702330 QJAYYHZOSMOIRB-INIZCTEOSA-N 314.389 2.001 0 40 DEAB COc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)c1 301484988 GYIBESBHLVPXAL-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1 13341480 LEPVQRRLPZPULC-UHFFFAOYSA-N 309.318 2.002 0 40 DEAB COc1cc(OC)cc(C(=O)Sc2nc(C)cc(O)n2)c1 5612144 AEUJTUDPBSRISH-UHFFFAOYSA-N 306.343 2.440 0 40 DEAB CCCCCNC(=O)C(=O)Nc1ccc(C(=O)OCC)cc1 5951320 PWHDNOFIMKVHPG-UHFFFAOYSA-N 306.362 2.108 0 40 DEAB COc1ccc(C(=O)[C@@H]2C(=N)C(=O)N[C@@H]2c2ccccc2)cc1 15079968 KGFYAQRUYRJYJV-GDBMZVCRSA-N 308.337 2.385 0 40 DEAB Cc1cc(N2N=C2SCCOc2ccccc2)nc(N)n1 16850177 RNQMAHCSRGSJGP-UHFFFAOYSA-N 301.375 2.270 0 40 DEAB CNc1ncccc1CN1CCCCC[C@@H]2[C@@H]1CCN2C(C)=O 19712326 GDWNQQUQTBWKMH-DLBZAZTESA-N 316.449 2.489 0 40 DEAB O=C(NCc1ccccc1)c1cnc(-c2ccccc2)[nH]c1=O 19937185 YTBABYHNYQSZPG-UHFFFAOYSA-N 305.337 2.367 0 40 DEAB CC(C)CN(C(=O)c1cccs1)[C@H]1CCS(=O)(=O)C1 4504912 GECPFKYLURKLSH-NSHDSACASA-N 301.433 2.033 0 40 DEAB O=C(Cc1ccc(Cl)cc1)N[C@H]1CCN(C2CCOCC2)C1 575604891 DCENSQHVMJQFDX-HNNXBMFYSA-N 322.836 2.252 0 40 DEAB CCNC(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1 1888849813 QJQAQTRRMISQOS-GFCCVEGCSA-N 306.410 2.204 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CC(Cn2cc(Br)cn2)C1 1889108901 SRTUIKAOBJCFPH-GFCCVEGCSA-N 324.222 2.460 0 40 DEAB CC(=O)NCCC(=O)Nc1cc(C(F)(F)F)ccc1N(C)C 24039265 MUGASWGLUDZPHR-UHFFFAOYSA-N 317.311 2.236 0 40 DEAB CCOC(=O)NCc1nnc2ccc(-c3cccs3)nn12 238872042 NDLFNKNCEMZLJA-UHFFFAOYSA-N 303.347 2.099 0 40 DEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(CC)cc1 4784580 OZJIGJILUPQOQS-AWEZNQCLSA-N 313.361 2.088 0 40 DEAB C[C@@H]1CCc2c(C(=O)NC[C@@H](C)N3CCOCC3)csc2C1 40074471 MWKMHEIDBGHNNF-CHWSQXEVSA-N 322.474 2.323 0 40 DEAB COC(=O)[C@]1(O)CC(C(C)C)=NN1C(=O)c1ccc(Cl)cc1 67043 UQLPJCJMLCXHQP-OAHLLOKOSA-N 324.764 2.060 0 40 DEAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H]1CCCCNC1=O 40533923 DVNMRZWFCFHTOM-JTQLQIEISA-N 319.386 2.110 0 40 DEAB c1csc(-c2noc(CSc3nnnn3C3CC3)n2)c1 8075248 IMSGEVKGUBCCET-UHFFFAOYSA-N 306.376 2.412 0 40 DEAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)cnn1C 32283198 DTENYMGQHMZSML-NSHDSACASA-N 315.373 2.381 0 40 DEAB NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 4976955 DRTPGNNOHPKSKY-UHFFFAOYSA-N 315.354 2.379 0 40 DEAB O=C1O[C@@H]2C[C@@H]1N(C(=O)C1c3ccccc3Oc3ccccc31)C2 101453147 PBMOAXFCCGPPLQ-RISCZKNCSA-N 321.332 2.451 0 40 DEAB C[C@H](NC(=O)[C@H]1CC[C@H](Cn2cnnn2)CC1)c1ccccc1 101395837 CHMAZQYQYSVEJL-OFQRWUPVSA-N 313.405 2.357 0 40 DEAB CN(Cc1cccc(F)c1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 33000170 LMFRDOBRDWGCDI-CZUORRHYSA-N 322.405 2.238 0 40 DEAB COc1cccc(C(=O)Nc2ccc(OCC(=O)O)cc2)c1 510312 NNSJPSCJQXDUSF-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCC(C(=O)O)CC1)CC2=O 100772643 YNEJRSNLPOMFNN-IRXDYDNUSA-N 307.390 2.095 0 40 DEAB Cc1cc(C)c2cc(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)[nH]c2c1 42123671 QWEIHUSXJNQARV-INIZCTEOSA-N 320.414 2.092 0 40 DEAB CCCCOc1ccc(NC(=O)N2C[C@@H]3C[C@@H]2C(=O)O3)cc1 101453413 PJRHIAZPJIWVMU-UONOGXRCSA-N 304.346 2.397 0 40 DEAB COC(=O)[C@@H](OC(=O)c1c(C)nn(C)c1C)c1ccccc1 22988884 IQPWTLFUVTUOQJ-AWEZNQCLSA-N 302.330 2.108 0 40 DEAB CCC(CC)c1nc(N[C@@H](CO)C(=O)O)c2ccccc2n1 12101352 SMIBEBMSDUFGCC-ZDUSSCGKSA-N 303.362 2.391 0 40 DEAB COc1ccccc1NC(=O)NC[C@H]1CN(CC(C)C)CCO1 23624251 VJBIBEPXACRITD-AWEZNQCLSA-N 321.421 2.174 0 40 DEAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccccn1 81665359 HCGJZMKOUOJYDP-UHFFFAOYSA-N 317.433 2.094 0 40 DEAB O=C(Nc1ccccc1)C1CCN(C(=O)C2CCOCC2)CC1 24311657 KTUQOUCKVFVKJB-UHFFFAOYSA-N 316.401 2.290 0 40 DEAB NC(=O)c1ccc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 24828318 KCFQYLKVSQVKAJ-UHFFFAOYSA-N 323.396 2.049 0 40 DEAB O[C@H](CN1CCC[C@@H]1Cn1cccn1)c1cc(F)ccc1F 106843447 PIRBFAVZGTWXPV-CZUORRHYSA-N 307.344 2.359 0 40 DEAB O=C(NCC(=O)N1CCCc2ccccc21)NCc1ccco1 56056323 VYQDDAGIIOCGBA-UHFFFAOYSA-N 313.357 2.058 0 40 DEAB CC(C)OC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 100634862 NBRKDTGLWWFFIZ-JTOWHCCKSA-N 319.401 2.053 0 40 DEAB CCCCNC(=O)CSc1nc2ccsc2c(=O)n1C 26101831 JXCAEAQILUBSJF-UHFFFAOYSA-N 311.432 2.003 0 40 DEAB O=C(CN1CSCC1=O)N[C@H](c1ccc(Cl)cc1)C1CC1 57462497 WRKOZSOTGUJSNR-HNNXBMFYSA-N 324.833 2.440 0 40 DEAB Clc1cccc(-c2noc(N[C@@H]3CCc4ncnn4C3)n2)c1 108948250 YWOSQGBAWBMFFS-LLVKDONJSA-N 316.752 2.408 0 40 DEAB Cc1cc(C)n(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 44889406 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O=C(Cc1c[nH]c2ccccc12)NCc1nc(-c2ccco2)n[nH]1 69537171 JJIUZHPLSWTBOR-UHFFFAOYSA-N 321.340 2.405 0 40 DEAB Brc1cc(CN[C@H]2CCc3ncnn3C2)cs1 69581887 ZNWBATJGKKMZSZ-VIFPVBQESA-N 313.224 2.207 0 40 DEAB Cc1ccccc1[C@@H]1CCN(C(=O)CSc2ncn[nH]2)C1 69528554 POUNJNDVAWBIHO-GFCCVEGCSA-N 302.403 2.221 0 40 DEAB COC(=O)[C@@H](CO)Nc1nc(C)nc2scc(CC(C)C)c12 65585020 MXEWPUDKWOZRMG-LLVKDONJSA-N 323.418 2.144 0 40 DEAB O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCc1ccccc1 6909265 ALNLHZSVGZSICF-UHFFFAOYSA-N 321.380 2.215 0 40 DEAB COc1ccccc1/C=C/C(=O)NCc1c(C)cc(C)[nH]c1=O 7118007 WTDUZEPTSVSDTN-CMDGGOBGSA-N 312.369 2.330 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c1 68431738 CQUUHTSBAPRVMX-ZIAGYGMSSA-N 314.345 2.341 0 40 DEAB CC(C)CN(CC(C)C)C(=O)c1c[nH]c2c(cnn2C)c1=O 96004547 IVHPZKVAIRZBFB-UHFFFAOYSA-N 304.394 2.016 0 40 DEAB Cc1n[nH]c(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C 96007283 GVLJVKWICIFDQN-UHFFFAOYSA-N 320.296 2.241 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc2c(c1)CCCC2 19458825 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Cc1nc([C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)no1 72231909 CGFQGFUHVHBDHQ-DZGCQCFKSA-N 313.357 2.088 0 40 DEAB C[C@H](CO)NC(=O)C(C)(C)c1ccc(Br)cc1 97392076 MWQFNGPZNCIVKD-SECBINFHSA-N 300.196 2.224 0 40 DEAB Cc1ccc2ncc(CNc3cccnc3N3CCOCC3)n2c1 95436142 GIYNKZXZYZRSBW-UHFFFAOYSA-N 323.400 2.486 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)N2CCC[C@@H]([C@@H](C)O)C2)c1 95431369 KDKATPKCAIOYPU-HZPDHXFCSA-N 320.433 2.485 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C)c(C)o1)CC2 95425831 KUQSCLSTGNZPHX-CABCVRRESA-N 307.390 2.289 0 40 DEAB C[C@H](CC(=O)Nc1ccc(CCO)cc1)NC(=O)C1CCCC1 95964710 MCHMWIWLWLYUAZ-CYBMUJFWSA-N 318.417 2.245 0 40 DEAB C[C@@](NC(=O)c1ccnc(F)c1)(C(N)=O)c1cccc(Cl)c1 79018978 ZYVUBODSEAVZIK-HNNXBMFYSA-N 321.739 2.005 0 40 DEAB CN(C[C@@H](O)C1CC1)S(=O)(=O)c1cccc2ccccc12 89340067 FFGVMIBPQOZWDT-OAHLLOKOSA-N 305.399 2.231 0 40 DEAB CCOCCNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O 75120314 PDZGMGHDQJSLRR-UHFFFAOYSA-N 300.358 2.117 0 40 DEAB OC[C@H]1CCCN1C[C@@H]1CCCN1CCOc1ccc(F)cc1 75104335 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304.438 2.149 0 40 DEAB OCC[C@H]1CN2CCC[C@H]2CN1Cc1ccnc2ccccc12 19376057 YIPPSCRSYYBKMC-IRXDYDNUSA-N 311.429 2.266 0 40 DEAB COc1ccccc1C(=O)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1889125144 PSRCQVCKEAXBKG-KBPBESRZSA-N 300.402 2.252 0 40 DEAB C[C@H](NC(=O)CN1CCO[C@H](C)C1)c1ccc2c(c1)CCCC2 25835937 GQYINVFGCQWKOQ-CABCVRRESA-N 316.445 2.463 0 40 DEAB C[C@@]1(C(=O)N2CCN(c3ncc(Cl)cn3)CC2)C=CCC1 1055978522 YOAYOPGJRCFVPD-OAHLLOKOSA-N 306.797 2.135 0 40 DEAB O=C(C1CC(F)(F)C1)N1CCC[C@@H](COc2ncccn2)C1 1775995952 OMGKPKYNRDHOKK-LLVKDONJSA-N 311.332 2.139 0 40 DEAB CCOc1ccccc1C(=O)N1c2ccccc2C[C@H]1C(=O)NC 9820592 IJDFMPPKQDUMOV-INIZCTEOSA-N 324.380 2.403 0 40 DEAB CC(C)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1 2055746180 VTVFDPLURKOVPF-UHFFFAOYSA-N 308.451 2.077 0 40 DEAB CC(C)(C)OC(=O)N[C@H](CN1C(=O)COC1=O)c1ccccc1 575605966 FLSPGNGKZZCTEH-GFCCVEGCSA-N 320.345 2.231 0 40 DEAB CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC 194837 ZFUPGZFOCOQJNF-CQSZACIVSA-N 320.414 2.441 0 40 DEAB 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DEAB COc1ccc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc2c1OC 41475133 UTZQMBAICXBXMB-GHMZBOCLSA-N 303.362 2.261 0 40 DEAB C[C@H]1CN(C(=O)CCCc2nc(C(C)(C)C)no2)[C@H](C)CO1 41825079 VIVKQDNSLCYNFP-NEPJUHHUSA-N 309.410 2.326 0 40 DEAB CC(C)(C)OC[C@H](O)CN1CCN(Cc2cccs2)CC1 53420088 TYWZBUOMIGINPA-CQSZACIVSA-N 312.479 2.042 0 40 DEAB CCN1CCCN(C(=O)Nc2ccn(CCC(C)C)n2)CC1 91181126 GAZKBPAVJBYQDM-UHFFFAOYSA-N 307.442 2.489 0 40 DEAB CSCC[C@@H](NC(=O)NC(C)C)c1nnc2ccccn12 47466897 WCBVRSDGIZPPQZ-LLVKDONJSA-N 307.423 2.231 0 40 DEAB O=C(CCc1cccs1)N1CCN(C[C@H]2CCCO2)CC1 23624182 TYPREUNQROYTEU-CQSZACIVSA-N 308.447 2.004 0 40 DEAB Cc1noc(C)c1COC(=O)CNC(=O)c1ccc(F)cc1F 25018727 JTARGKISNCXCRO-UHFFFAOYSA-N 324.283 2.043 0 40 DEAB Cc1cc(CN2CCN(C[C@H](O)c3ccccc3)[C@@H](C)C2)no1 106776283 XNEAUBIBRLOSRJ-KSSFIOAISA-N 315.417 2.223 0 40 DEAB O=C(O)c1ccccc1C(=O)N1[C@H]2CC[C@H]1c1snnc1C2 100212505 KDTHRAXZWKSHMZ-UFBFGSQYSA-N 315.354 2.138 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1NS(C)(=O)=O 10314780 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UYMGWBGWLJSDEH-UHFFFAOYSA-N 315.421 2.463 0 40 DEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2)C[C@@H](C)O1 65606358 WNXXANBNZLTTQH-UXLLHSPISA-N 302.418 2.400 0 40 DEAB COc1ccc2c(c1)[C@H](N[C@@H]1CC(=O)N(C3CC3)C1)CCCO2 90182361 CFLDLFKFCQLSAF-MLGOLLRUSA-N 316.401 2.262 0 40 DEAB COc1ccccc1OCCNC(=O)CN1CCCC[C@@H]1C 7525196 JONXRUGQRMUWSW-AWEZNQCLSA-N 306.406 2.065 0 40 DEAB CSc1nc(C)c(CCOC(=O)c2cccs2)c(=O)[nH]1 9789427 NUEIEEBMJOBLBQ-UHFFFAOYSA-N 310.400 2.261 0 40 DEAB O=C(NCCOc1ccccc1)Nc1ncn(-c2ccccc2)n1 96013023 HQUFTUSTPBZHQZ-UHFFFAOYSA-N 323.356 2.468 0 40 DEAB Cc1cc(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)[nH]n1 96406368 DPQCCKKVUQRWAT-CYBMUJFWSA-N 308.332 2.029 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c1O 9512683 XFXPEDZCISRKQZ-UHFFFAOYSA-N 319.288 2.335 0 40 DEAB COc1ccc(NC(=O)CCn2c(C)c(C)sc2=O)c(C)n1 84028825 SJFGMXKEYPMGLZ-UHFFFAOYSA-N 321.402 2.267 0 40 DEAB COc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 9501863 YNNBTLZOBBBGGM-UHFFFAOYSA-N 305.355 2.351 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1ccccn1)C[C@@H]2O 71804926 NAYVKELZXKFLQL-AWEZNQCLSA-N 300.358 2.148 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1csnn1 75602313 BFRSSQCHSGHIMF-SECBINFHSA-N 311.798 2.211 0 40 DEAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)[C@H]1CCCO1 84013720 QHYGIJLJSHDZQG-GFCCVEGCSA-N 302.334 2.033 0 40 DEAB O=C(NC1CCC(C(=O)O)CC1)c1ccc(F)c(F)c1F 94183575 XTRGKZTUHLLYAT-UHFFFAOYSA-N 301.264 2.477 0 40 DEAB CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@H]1CCOC1 75603806 KOENWAFJYQYRER-CABCVRRESA-N 310.463 2.090 0 40 DEAB CO[C@@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)C2CC2)CC1 83897708 UGRCCTOJLJLCRP-CABCVRRESA-N 309.406 2.136 0 40 DEAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccco1)C3 9645625 DSDAYNIEMZXVSL-UHFFFAOYSA-N 300.343 2.065 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)NCCCn2nc(C)cc2C)c1C 9691927 RWLUJQDOGRHEQW-UHFFFAOYSA-N 316.405 2.468 0 40 DEAB C[C@@H](NC(=O)NC(C)(C)C)[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 72291716 MWYCBVUPPJICRB-CHWSQXEVSA-N 320.437 2.353 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CCOc2ccccc21)c1nnc2ccccn12 76773462 NHPFJBUYPCLBBG-TZMCWYRMSA-N 322.368 2.473 0 40 DEAB CC(=O)NC[C@@H](OC(=O)c1ccn2cncc2c1)c1ccccc1 97034340 FGWRHKWREPPFFN-QGZVFWFLSA-N 323.352 2.369 0 40 DEAB O=C(Nc1ccc(O)c(Cl)c1)[C@@H]1CCCN1c1ncccn1 97236637 XLOIOVKIYWBMGG-LBPRGKRZSA-N 318.764 2.443 0 40 DEAB Cn1c(CNC(=O)c2ccc3cc[nH]c3c2)nnc1C1CCC1 97378198 PKCFLTFQWFTFPQ-UHFFFAOYSA-N 309.373 2.494 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)N1CCO[C@H](CN(C)C)C1 95398677 ZHVWLTBJUDWEAS-CYBMUJFWSA-N 311.813 2.443 0 40 DEAB Cc1ccc(F)c(NCc2cnc(N3CCN(C)CC3)nc2)c1 95448732 WVWYXTFZWGSPNF-UHFFFAOYSA-N 315.396 2.288 0 40 DEAB O=S1(=O)CCC[C@H](Nc2ccnc(-c3ccccc3)n2)C1 95403251 DXQAYHQTUGRAHF-ZDUSSCGKSA-N 303.387 2.133 0 40 DEAB CC(C)(CNC(=O)[C@@H]1CCC(=O)N1)c1c(F)cccc1Cl 95403639 NSNQDGFSKCUPPX-NSHDSACASA-N 312.772 2.152 0 40 DEAB CC(C)Oc1cccc([C@@H](O)CNC(=O)CN2CCC[C@@H]2C)c1 95417419 LFFDYEAXAHIVTP-YOEHRIQHSA-N 320.433 2.108 0 40 DEAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@H]2C1 95437809 GYLDSTDDNJOCBZ-IKGGRYGDSA-N 303.402 2.332 0 40 DEAB Cc1ccoc1C(=O)N1CCN(C(=O)c2occc2C)[C@@H](C)C1 74162575 MCEWBXXMGDFIFN-ZDUSSCGKSA-N 316.357 2.476 0 40 DEAB COC(=O)c1ccc(Cn2cnc3sccc3c2=O)s1 95965100 XMXUYNMOFLLPLM-UHFFFAOYSA-N 306.368 2.354 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cc(Cl)c[nH]1 95983545 PCYGFXGYZKCZLS-CYBMUJFWSA-N 322.796 2.232 0 40 DEAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)o1 89558091 YVWHXJYMVQROBY-CQSZACIVSA-N 302.330 2.211 0 40 DEAB CCN(CC)CCN(CCOC)c1ncnc2sccc12 75107037 LFGJVNCGIRABQV-UHFFFAOYSA-N 308.451 2.486 0 40 DEAB COCCN(c1ccncc1)S(=O)(=O)Cc1cccc(C)c1 89669537 DZVRAIJJHCQSHY-UHFFFAOYSA-N 320.414 2.373 0 40 DEAB CCCCNC(=O)c1cn(C)c2ccc(OCC)cc2c1=O 22237077 KSBGRTXJWBMWGZ-UHFFFAOYSA-N 302.374 2.467 0 40 DEAB CN1CCC[C@H](C(=O)N2CCN(/C=C/c3ccccc3)CC2)C1 78582339 DAZCKQRBAGFRMD-CKDFRHGISA-N 313.445 2.143 0 40 DEAB O=C(NCC[C@H](O)c1cccs1)[C@H]1COc2ccccc2O1 77113724 MGOKKIZDJYVJFM-SMDDNHRTSA-N 319.382 2.128 0 40 DEAB C[C@@H](Cn1c(=O)oc2ccccc21)NC(=O)c1cccs1 72324322 UFRXQLPXNAPWHI-JTQLQIEISA-N 302.355 2.475 0 40 DEAB CCOC(=O)c1cc(Br)ccc1N1CCOCC1 39951707 DKEYPOSCPRMPLJ-UHFFFAOYSA-N 314.179 2.462 0 40 DEAB Cc1nc(O)c2c(n1)CN(C(=O)c1cncc3ccccc13)C2 1557740795 BNTHSFZCJSKCLE-UHFFFAOYSA-N 306.325 2.195 0 40 DEAB FC(F)C(F)(F)CN1CCN(CCc2ccccn2)CC1 79311812 LDVAQWRIUWYNEO-UHFFFAOYSA-N 305.319 2.142 0 40 DEAB C[C@@H]1NC(=S)N(Cc2ccc(Br)cc2F)C1=O 71897501 JJFZYOROZXLXJM-LURJTMIESA-N 317.183 2.193 0 40 DEAB O=C(OCc1ccccc1)N1CCC[C@@H](N(CCO)C2CC2)C1 79391744 OISJMILIJKPZRF-QGZVFWFLSA-N 318.417 2.244 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 46870376 KKBXWBKYIIJWMD-UHFFFAOYSA-N 301.173 2.298 0 40 DEAB O=C(NCc1ccc(F)cc1)N1CCC2(CC1)OCCCO2 75156664 GFIYQOYWAQWZGQ-UHFFFAOYSA-N 308.353 2.264 0 40 DEAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1ccccc1 225748437 LSYKRQKMRRDVLT-UHFFFAOYSA-N 310.328 2.457 0 40 DEAB Cc1ccc([C@@H]2CCCCCN2C[C@@H](O)CN2CCOCC2)o1 195530636 WWNXSDQFHXHFJB-IRXDYDNUSA-N 322.449 2.198 0 40 DEAB CN1CC[C@@](C)(O)[C@@H](NC(=O)C2CCCC2)[C@@H]1c1ccccc1 514290095 ZDBJKBFJCKZPCP-JENIJYKNSA-N 316.445 2.489 0 40 DEAB biogenic,in-vitro COc1ccc(CCCNC(=O)N2CCOCC[C@@H]2C)cc1 91618201 DDTJOWYQHLXQDN-AWEZNQCLSA-N 306.406 2.448 0 40 DEAB CC(C)(C)C(=O)Nc1cnn(CC(=O)NCc2cccs2)c1 96424112 DBASXJPNVNAZDJ-UHFFFAOYSA-N 320.418 2.246 0 40 DEAB C[C@@H](c1ccccc1)[C@H](CO)NS(=O)(=O)c1cccs1 96483513 KPSZKDQEZCQQEY-AAEUAGOBSA-N 311.428 2.191 0 40 DEAB COc1ccsc1C(=O)N1CCNC(=O)[C@@H]1c1ccccc1 96404519 GIXGUVNNUCQTAD-ZDUSSCGKSA-N 316.382 2.070 0 40 DEAB COCCn1cc2c(n1)[C@H](CNCc1ccc(C)s1)OCC2 96059699 PDGLOZHKCOTALI-HNNXBMFYSA-N 321.446 2.303 0 40 DEAB COCCO[C@@H]1CCN(C(=O)N(C)C)[C@H]1Cc1ccccc1 96261312 ONPOKPRQDNWZCX-JKSUJKDBSA-N 306.406 2.017 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1CC1(Cl)Cl 96446861 NVPXOIOUVZKEFU-JTQLQIEISA-N 308.205 2.230 0 40 DEAB COc1ccc(C(=O)N2CCO[C@H](c3ccncc3)C2)cc1F 257227276 FOLVIELWNJJIIJ-INIZCTEOSA-N 316.332 2.443 0 40 DEAB Cc1cncc([C@H]2CCCN2C(=O)CCc2cnn(C)c2C)n1 257340370 ZFSFEVJMTPGYGR-MRXNPFEDSA-N 313.405 2.123 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@H]1O 257264982 LWUXGEKJBSWLOX-IIAWOOMASA-N 311.809 2.317 0 40 DEAB CCN1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478271 KDXHXIQYXJAXSM-ZMMAXQRCSA-N 324.509 2.216 0 40 DEAB O=C(O)c1cccc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 257290261 QCESDSOHSWLIIO-IAGOWNOFSA-N 313.353 2.009 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1F 257227478 FPMFAALNMDEEHO-HNNXBMFYSA-N 307.365 2.280 0 40 DEAB O=C(c1ccc(-n2cccc2)cc1)N1CCc2ncncc2C1 96122803 PGWYGWOYYJIOTC-UHFFFAOYSA-N 304.353 2.466 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575405116 RBXMNEJYZFHICP-HNNXBMFYSA-N 304.390 2.158 0 40 DEAB C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 95419610 MQBZUUKCAYIVPN-RKDXNWHRSA-N 307.337 2.189 0 40 DEAB Cc1ccc(-c2nnc(NC(=O)C3=COCCO3)o2)cc1C 5372133 ZJLWZLQBVZMKLV-UHFFFAOYSA-N 301.302 2.180 0 40 DEAB CCOC(=O)c1cn2ccccc2c(C(=O)c2cccnc2)c1=N 5373947 BDLGXKHENKJTPC-UHFFFAOYSA-N 321.336 2.221 0 40 DEAB O=C(NC1CCCC1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 5529242 JJIBLLRLKGBYCX-XJKSGUPXSA-N 302.399 2.315 0 40 DEAB CCOc1ccccc1-c1cc(C(=O)N[C@H]2CCCOC2)[nH]n1 12143755 XOFJKATVEDCXRO-LBPRGKRZSA-N 315.373 2.384 0 40 DEAB O=C(Nc1cccc(-n2cnnc2)c1)[C@@H]1OCOc2ccccc21 19375084 KMVUXUZVQYFECQ-MRXNPFEDSA-N 322.324 2.314 0 40 DEAB Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(N2CCC(C)CC2)n1 19578984 UDVUKEOEORUNCS-UHFFFAOYSA-N 315.421 2.131 0 40 DEAB C[C@@H]1OC2(C[C@@H]3CC[C@H](C2)N3)CN(Cc2ccccc2)C1=O 1888834032 QNXXBWLKBWEBPL-MTKWDUKCSA-N 300.402 2.087 0 40 DEAB CCOc1ccc(CNc2cc(-n3ccnc3C)ncn2)cn1 1888900854 VOCJAQJQZCURPM-UHFFFAOYSA-N 310.361 2.377 0 40 DEAB Cc1cc(-c2cncc(C(=O)O)c2)nc([C@@H]2CCCN(C)C2)n1 1848353174 IIBVEVRRBHSFHH-GFCCVEGCSA-N 312.373 2.354 0 40 DEAB O=C(c1ccc(C(F)(F)F)nc1)N1CC(Cn2ccnc2)C1 1889116767 YVQXGVIADSXHQE-UHFFFAOYSA-N 310.279 2.069 0 40 DEAB CCN1CC2(CCC1=O)CCN(C(=O)C1CC(F)(F)C1)CC2 1565545012 WPUBIZJPZUNMAP-UHFFFAOYSA-N 314.376 2.283 0 40 DEAB COC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1 4164223 CBAAVNVPVJTYGC-UHFFFAOYSA-N 300.343 2.056 0 40 DEAB O=C(NCCc1ccco1)C(=O)Nc1ccc(F)c(Cl)c1 5251116 GCZYEFGYQOMNPO-UHFFFAOYSA-N 310.712 2.370 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1C(C)C 2055798637 ICYRQZQOEOTWJB-INIZCTEOSA-N 319.449 2.366 0 40 DEAB Cc1noc(C)c1CC(=O)NCc1cc(-c2ccco2)on1 38754524 UNTZLFHIXUWCSF-UHFFFAOYSA-N 301.302 2.398 0 40 DEAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ncnc3cnccc23)C1 2298047658 YJSSTKFUVIADQG-LBPRGKRZSA-N 313.405 2.156 0 40 DEAB CC(C)C(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccnc1 64402 XIWLUGVTGSRZKW-GFCCVEGCSA-N 301.268 2.033 0 40 DEAB Cc1[nH]ccc(=O)c1OCC(=O)NCc1cccc(Cl)c1 40287469 GIEILCIUIYVARP-UHFFFAOYSA-N 306.749 2.032 0 40 DEAB CCNC(=O)CNC(=O)Nc1ccc(Br)c(C)c1 40525838 LOUYITZVZYYABQ-UHFFFAOYSA-N 314.183 2.015 0 40 DEAB Nc1nc(Cl)cc(NC[C@H](CO)Cc2ccc(F)cc2)n1 40555451 NGZABLFYNPLOER-SNVBAGLBSA-N 310.760 2.114 0 40 DEAB CCNC(=O)CNC(=O)Nc1ccc(Br)cc1C 40526651 PGNIDUNELJCVDO-UHFFFAOYSA-N 314.183 2.015 0 40 DEAB CCCCc1ccc(NC(=O)CSc2nnnn2C)cc1 2534498 UMNWOQKOWZYGBR-UHFFFAOYSA-N 305.407 2.284 0 40 DEAB CC[C@@H](C)[C@]1(CC)C(=O)N=C(NCc2ccccc2)NC1=O 1664917 PIWCYWXMTSSFHX-GFCCVEGCSA-N 301.390 2.231 0 40 DEAB CCOc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCCC3)cc1 2374159 GRYFLCQFLGUCAT-UHFFFAOYSA-N 300.358 2.206 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)N[C@@H](C)CN2CCOCC2)cc1F 87037610 UYZBRKNUXBEXNW-UONOGXRCSA-N 323.412 2.215 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1 7888930 VMDHUZGEZYDNQB-UHFFFAOYSA-N 316.382 2.075 0 40 DEAB O=C(NCCn1nc(-c2cccs2)ccc1=O)C1CCCC1 8954808 KJPJVKOFIQOTRR-UHFFFAOYSA-N 317.414 2.278 0 40 DEAB O=S(=O)(Cc1cccc(F)c1)N(CCO)Cc1ccccc1 89832609 SUTITCQISBYOHV-UHFFFAOYSA-N 323.389 2.150 0 40 DEAB COc1cccc(CN(C)S(=O)(=O)N(C)C2CCCC2)c1 32804286 OXUAEFNZKUNOSH-UHFFFAOYSA-N 312.435 2.246 0 40 DEAB O=C(/C=C/c1ccco1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 100741536 TXQCXCNVHIUDLG-JLVOYYQZSA-N 310.353 2.100 0 40 DEAB CC(=O)N1CCN(Cc2nc(-c3ccccc3)cs2)CC1 21688105 ONKWCEIONBYLRK-UHFFFAOYSA-N 301.415 2.474 0 40 DEAB CN1N=C(C(=O)N[C@H]2CCSc3ccc(F)cc32)CCC1=O 21759035 KVSBEEMHTDAEFC-NSHDSACASA-N 321.377 2.087 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)CS(=O)(=O)CC 53057348 DBPKRIYUGLVRLF-NSHDSACASA-N 301.433 2.019 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)C[C@H]1CCCO1)CC2 46755896 PLFKRYLCRSCHPK-CQSZACIVSA-N 305.374 2.158 0 40 DEAB COc1ccc(Cl)cc1COC(=O)CN(C)c1ncccn1 23173981 RDSDDBRZIOBDKT-UHFFFAOYSA-N 321.764 2.318 0 40 DEAB CC(C)CCC[C@@H](C)NC(=O)CCNc1ncnc2[nH]cnc12 12297038 DSBZQMUARGDACI-GFCCVEGCSA-N 318.425 2.486 0 40 DEAB biogenic COc1cc(C(=O)NCc2ccc(C)n2C)cc2c1OCCO2 23575360 KGQHYMAHKFDPNG-UHFFFAOYSA-N 316.357 2.043 0 40 DEAB Cc1cccc(CN2CCC3(CC2)CC(NC(=O)N(C)C)C3)n1 108532392 RULAMBHQXSBJDM-UHFFFAOYSA-N 316.449 2.406 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCC[C@@H](C(=O)NCC3CC3)C2)n1 106085559 SDWPUNGMJYOEHK-TZMCWYRMSA-N 320.437 2.492 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)NCCNc1ncccn1)C2 47104427 MCBAYMLSHKQFIG-AWEZNQCLSA-N 314.414 2.030 0 40 DEAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](CN2CCOCC2)C1 106851423 GEOCCQKDPCRHKJ-MHORFTMASA-N 320.477 2.384 0 40 DEAB CN(C)C(=O)COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 25657109 BXHCNLRPFSJNFE-CYBMUJFWSA-N 302.374 2.448 0 40 DEAB Cc1ccccc1-c1noc(C2CCN(S(C)(=O)=O)CC2)n1 113728997 WXAFDRWFEJCKQH-UHFFFAOYSA-N 321.402 2.184 0 40 DEAB COc1ccc([C@@H](c2nnnn2C(C)(C)C)N(C)C)cc1OC 57567605 NPVLLCCXYZEUHK-AWEZNQCLSA-N 319.409 2.096 0 40 DEAB Cc1cc(C)nc(-n2[nH]c3nccc(-c4ccco4)c3c2=O)n1 10157151 LOOXFMCOESREDK-UHFFFAOYSA-N 307.313 2.381 0 40 DEAB CCc1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1 67317159 RZXDOCPWORRDIJ-UHFFFAOYSA-N 321.380 2.275 0 40 DEAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(O)c(Cl)c2)N1 58243973 WVVOXPHMJINVKK-CYBMUJFWSA-N 313.748 2.492 0 40 DEAB C[C@@H](CCNC(=O)NCCNc1cnccn1)c1ccccc1 58249076 MTQSGWNMQACYMC-AWEZNQCLSA-N 313.405 2.382 0 40 DEAB CCC(CC)NC(=O)CSc1nnnn1-c1ccc(C)cc1 3257785 XROCFBDZSGOBGN-UHFFFAOYSA-N 319.434 2.368 0 40 DEAB COc1cc(S(=O)(=O)NCC(C)C)ccc1Br 36638870 YVDDNYOJDNLLOR-UHFFFAOYSA-N 322.224 2.392 0 40 DEAB O=C(CCN1CCSC1=O)Nc1nnc(-c2ccco2)s1 48230675 RASLNTJOJCGDSB-UHFFFAOYSA-N 324.387 2.296 0 40 DEAB O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CCOC1 48311713 KCEUGYOOVOJBME-KGLIPLIRSA-N 323.462 2.221 0 40 DEAB O=C(NCc1nnc2ccccn12)c1ccc(OC(F)F)cc1 13005418 HSLNZOBQMUUPBY-UHFFFAOYSA-N 318.283 2.261 0 40 DEAB CCCc1cc(N2CCc3c(ncn3C3CC3)C2)n2ncnc2n1 69370647 SYGNVOBKDSSXFC-UHFFFAOYSA-N 323.404 2.171 0 40 DEAB Cc1ncc(C(=O)NCCN2CCc3ccccc3C2)s1 65412823 HXJMAVDAZFZUAX-UHFFFAOYSA-N 301.415 2.240 0 40 DEAB CCN(Cc1c(F)cccc1F)C(=O)CCNC(=O)[C@H]1C[C@@H]1C 69414038 NTYMLFLJZUHKCZ-RYUDHWBXSA-N 324.371 2.476 0 40 DEAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cnccn1 14226947 MZHIALYXOXCWFB-UHFFFAOYSA-N 314.326 2.110 0 40 DEAB COC[C@H](C)NC(=O)c1ccc(I)cc1 22624354 NEVIUDILSLGINM-QMMMGPOBSA-N 319.142 2.056 0 40 DEAB NC(=O)c1c(NC(=O)NC[C@@H]2CCCO2)sc2c1CCCC2 6661610 JRJAKLJVFMYFEU-VIFPVBQESA-N 323.418 2.026 0 40 DEAB Cc1nccn1CCCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 69588156 STKVVYVDLBERSM-HZPDHXFCSA-N 304.438 2.057 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C[C@H](O)COc2ccc(C)cc2)C1 7166302 HEAHKKGIIAKUTB-CVEARBPZSA-N 321.417 2.010 0 40 DEAB COc1cc(C=O)ccc1OCC(=O)Nc1ccccc1C#N 28451236 CDTXNFQFJVLEKP-UHFFFAOYSA-N 310.309 2.397 0 40 DEAB COc1cccc2[nH]cc(CCNC(=O)N(C)CC(C)(C)O)c12 96499860 LYFVWWLIJAIFHP-UHFFFAOYSA-N 319.405 2.131 0 40 DEAB O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2ccccc2)no1 9576011 XGQIXLQQGRTNQC-CQSZACIVSA-N 309.325 2.200 0 40 DEAB Cc1c([C@H](C)NC(=O)CSCC(N)=O)oc2ccc(F)cc12 71853907 TWXZMGFCKNCTRW-VIFPVBQESA-N 324.377 2.276 0 40 DEAB CCO[C@@H]1CCCN(C(=O)Cn2ccc(=O)c3ccccc32)C1 71836531 LVYAKGLUSZWOQY-CQSZACIVSA-N 314.385 2.029 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CN(C)C(C)C)n1 71865584 JSLCFMUQTYZEEO-MRXNPFEDSA-N 306.454 2.221 0 40 DEAB Cc1cc(NC(=O)CN[C@@H](c2ncccc2C)C(C)C)n(C)n1 72296424 GVEDPRXCZXVJAL-MRXNPFEDSA-N 315.421 2.357 0 40 DEAB C[C@H](Cn1cc(Br)cn1)Nc1ccc(C(N)=O)cc1 97162422 FSHCBAQHQRGNJT-SECBINFHSA-N 323.194 2.245 0 40 DEAB COCCNC(=O)c1ccc(N[C@@H](C)c2ccccn2)nc1 75610852 UDQKLEABOBEFOF-LBPRGKRZSA-N 300.362 2.026 0 40 DEAB Cc1c(C(=O)N(C)CC(C)(CO)CO)sc2ccccc12 97236653 YTESFCUJCXINBF-UHFFFAOYSA-N 307.415 2.273 0 40 DEAB O=C(CN1CCC[C@@H]2CCC[C@H]21)NC1CCC2(CC1)OCCO2 75769156 WECKBWAJOZSVHN-GOEBONIOSA-N 322.449 2.053 0 40 DEAB CN(C)S(=O)(=O)Nc1ccc(-n2ncc3ccccc32)cc1 95462972 UWWYXLKASGCJCJ-UHFFFAOYSA-N 316.386 2.244 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN1c1ccnc(Cc2ccccc2)n1 95467686 VVKBWPYOZGXZII-MRXNPFEDSA-N 322.412 2.315 0 40 DEAB Cc1cccc2c(N3CCN(c4ccc(N)nc4)CC3)ncnc12 95418988 PDRZWVFLIRYZKI-UHFFFAOYSA-N 320.400 2.242 0 40 DEAB Cn1ccc2c(NC(=O)c3ccccc3-n3cnnn3)cccc21 95477768 UDMILBXJVGWIDS-UHFFFAOYSA-N 318.340 2.406 0 40 DEAB C/C(=C\C(=O)N1CCC[C@H]1C(N)=O)c1ccccc1OC(F)F 98056412 GVJWUORASFKGOJ-VMPCVLLUSA-N 324.327 2.168 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCc1cscn1 88269106 ZSIBEDLIIHRUSN-STQMWFEESA-N 310.419 2.314 0 40 DEAB O=S(=O)(Nc1ccc(F)cn1)c1ccc(Br)o1 95944168 IPLKAZDFRXCYDU-UHFFFAOYSA-N 321.127 2.377 0 40 DEAB Cn1cnc(CNC(=O)c2ccc(C3SCCS3)cc2)n1 95982739 YQVWERMJOYUQAW-UHFFFAOYSA-N 320.443 2.224 0 40 DEAB CCc1ncnc(N2CCOC[C@H]2c2noc(C(C)C)n2)c1F 95999762 ZZWWAFYXUKLAGM-NSHDSACASA-N 321.356 2.262 0 40 DEAB O=C(NCCNC(=O)C1CC1)c1cccc(C(F)(F)F)c1F 79386737 YPIZDRPLUISAKH-UHFFFAOYSA-N 318.270 2.101 0 40 DEAB C[C@@]1(C(=O)O)CCCN1CC(=O)Nc1ccc(F)cc1Cl 79488895 NMTADNKPIZJXLX-AWEZNQCLSA-N 314.744 2.357 0 40 DEAB Oc1nc(NC[C@H]2CCO[C@@H]2c2cn[nH]c2)nc2ccccc12 1553800347 ITQWBLIPQVIOSS-YGRLFVJLSA-N 311.345 2.248 0 40 DEAB FC(F)(F)c1nnc2n1CCN(c1nc(C3CC3)ns1)C2 89598208 GFZIMNKWKWOFRJ-UHFFFAOYSA-N 316.312 2.046 0 40 DEAB Cc1cc(C)n(CCNC(=O)c2ccn(C3CCCC3)n2)n1 28573859 CCVNURQHNFYZPR-UHFFFAOYSA-N 301.394 2.242 0 40 DEAB CC(=O)N1CCC[C@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306137699 RDGVEFACZHLNDA-AWEZNQCLSA-N 313.405 2.055 0 40 DEAB COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCc2cc(C)no2)c1 188358708 SXDKNWMZRLPBIX-ZFWWWQNUSA-N 316.357 2.420 0 40 DEAB COC(=O)C[C@H](C)NC(=O)CNc1cccc(C(F)(F)F)c1 74689275 LEBUJNCAQYFJTK-VIFPVBQESA-N 318.295 2.185 0 40 DEAB CC(=O)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 72383435 FQQCGAUXXBSSDB-GFCCVEGCSA-N 317.418 2.478 0 40 DEAB CNC(=O)[C@H](C)n1nc(C(F)(F)F)c(Br)c1C 32611369 BYJSJTISYZABDT-YFKPBYRVSA-N 314.105 2.280 0 40 DEAB CCN(CCN)Cc1ccccc1I 79431617 WRHJYADYQYPMEH-UHFFFAOYSA-N 304.175 2.072 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2nc(N)sc2c1 216775129 UPAPGACKLVGRJV-VIFPVBQESA-N 311.432 2.442 0 40 DEAB CCOC(=O)C1=NN(c2ccc(C(C)C)cc2)[C@H](C(=O)O)C1 71979365 UWKDJXOZANSMGT-AWEZNQCLSA-N 304.346 2.392 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]1c1ccc(O)cc1 79290051 ZENHGXGYUCELLK-AWEZNQCLSA-N 319.405 2.153 0 40 DEAB O=C(O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 72400949 YNYFTOXSUDAIER-UHFFFAOYSA-N 307.309 2.111 0 40 DEAB CCc1noc([C@@H]2CCCCN2C(=O)c2cc(C)nn2C)n1 46087176 MABSNORCNYMFPB-NSHDSACASA-N 303.366 2.041 0 40 DEAB CCN(C[C@@H]1CCN(C(=O)c2cscn2)C1)CC(F)(F)F 81448090 XYPYUAASJHMPGK-JTQLQIEISA-N 321.368 2.489 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)CCc3ccccc3)C2)nn1 225423518 CSDVQPAADOZRLD-INIZCTEOSA-N 311.385 2.398 0 40 DEAB CS(=O)(=O)Nc1cccc(C(=O)NCC2=CCCCC2)c1 224073357 XDOGBFOHZOESPW-UHFFFAOYSA-N 308.403 2.288 0 40 DEAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccco3)n2)cc1OC 95533789 MFCWNTDXCPCKEW-CYBMUJFWSA-N 300.318 2.130 0 40 DEAB O=C(N[C@H]1CCCc2occc21)[C@@H]1CCCN1C(=O)C1CC1 96405396 GIJIVTMIYRXMNQ-KBPBESRZSA-N 302.374 2.174 0 40 DEAB COc1ccc(O[C@H]2COCCN(C(=O)C3CCCC3)C2)cc1 96113224 XDGZLWMUNJRADZ-QGZVFWFLSA-N 319.401 2.492 0 40 DEAB biogenic,in-vitro Cc1ccc([C@@H]2[C@H](C(=O)NCc3ccco3)CC(=O)N2C)cc1 96181297 YKKJAJKSEVQYJJ-NVXWUHKLSA-N 312.369 2.424 0 40 DEAB Cc1cccc2c1nc1n2[C@@H](CNC2CCOCC2)COC1 96112647 SRUDHUUHZHNXAL-AWEZNQCLSA-N 301.390 2.185 0 40 DEAB biogenic,in-vitro CCO[C@H]1CCN(C(=O)c2cnccn2)[C@H]1Cc1ccccc1 96200398 OPPGCGHIYSAUBQ-IRXDYDNUSA-N 311.385 2.339 0 40 DEAB O=C(c1n[nH]c2c1CCN(Cc1cccs1)C2)N1CCCC1 96058577 OWWUAQUOTYQYKR-UHFFFAOYSA-N 316.430 2.266 0 40 DEAB O=C1CCCN1C[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@H]12 96056240 PVGMJLHGOREWGD-HRCADAONSA-N 320.458 2.207 0 40 DEAB O=C(NCc1ccc[nH]1)c1cn(-c2cccc(Cl)c2F)nn1 95463755 CGNXTCRECWJRLS-UHFFFAOYSA-N 319.727 2.318 0 40 DEAB C[C@H](CC[C@H]1CCCO1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 96402671 BJFGHFBXASYXAZ-FVQBIDKESA-N 322.449 2.099 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc([C@H]3C[C@H]3C)o2)CC1 245338879 PAWIKOFNWSFJGP-DIOULYMOSA-N 307.390 2.149 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@]3(C)NCCC[C@@H]23)n(C)n1 257222147 DSCYHFUSRFDQRQ-WBVHZDCISA-N 304.438 2.119 0 40 DEAB CCOc1ccccc1-n1nc(C(=O)O)c(N2CCCCC2)n1 256047707 ODCDSYYHVLXMBY-UHFFFAOYSA-N 316.361 2.355 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2ccc(Cl)cc2)[C@H]1O 257236491 HCKUUCIYBGVXBC-IIAWOOMASA-N 311.809 2.269 0 40 DEAB Cn1cc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccccc21 257233757 GQPCRRVCFQSYNG-ROUUACIJSA-N 300.402 2.294 0 40 DEAB CCc1noc(C)c1NS(=O)(=O)c1ccc(C(=O)O)c(C)c1 350803787 VBBFUMCHXPWQJY-UHFFFAOYSA-N 324.358 2.353 0 40 DEAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC2CC2)n1 260720943 VFKAMANQKFOMGH-JTQLQIEISA-N 321.450 2.170 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575403811 ORSXSKNHEIZXGV-HNNXBMFYSA-N 318.442 2.485 0 40 DEAB Cc1ccc(C[C@H]2CCCN(C(=O)c3nccnc3N)C2)cc1 51462850 ZIPGBAGJLSJYAQ-OAHLLOKOSA-N 310.401 2.462 0 40 DEAB Cc1ccccc1[C@@H]1CCCN1C(=O)CN1CSCC1=O 55779975 NKFYHSGLAATKNC-AWEZNQCLSA-N 304.415 2.191 0 40 DEAB CN(C)C1CCN(C(C)(C)CNC(=O)Nc2ccccn2)CC1 69033520 YSLVASXIOCTGMT-UHFFFAOYSA-N 319.453 2.008 0 40 DEAB O=S(=O)(C[C@H]1CCOC1)N(Cc1ccsc1)C1CC1 69700531 ZKOXGCNOJUIJDN-LBPRGKRZSA-N 301.433 2.079 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1 70008014 OKNKBECHMDYKIU-GFCCVEGCSA-N 319.327 2.242 0 40 DEAB CC[C@](C)(O)CNC(=O)Nc1ccccc1Cn1cccn1 66159205 CGKVMUYBXZBNEZ-INIZCTEOSA-N 302.378 2.214 0 40 DEAB c1nc(N2CCCC[C@H]2Cn2cncn2)c2ccsc2n1 72276496 DVAIQFXRUMBHAK-NSHDSACASA-N 300.391 2.342 0 40 DEAB Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[C@H]3C2)nn1-c1ccccc1 89568460 HBUNHDYQGONOCK-GASCZTMLSA-N 323.396 2.413 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)C1 13087160 JMDZUAQTRFXCBV-GFCCVEGCSA-N 311.403 2.124 0 40 DEAB O=C1c2c(Br)c3ncccc3n2CCN1C1CC1 1772715344 ZYLINKLVEKAUKS-UHFFFAOYSA-N 306.163 2.417 0 40 DEAB CC1CCC(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)CC1 1565546334 ZUHHTUJZNLYCTE-UHFFFAOYSA-N 321.465 2.465 0 40 DEAB CC(=O)OC(C)(C)C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 217995210 UDMYKVKVCSFNSH-QGZVFWFLSA-N 319.357 2.098 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1 4089623 BXFWZVGFFUOJQF-YDHLFZDLSA-N 304.390 2.370 0 40 DEAB biogenic Cc1nccn1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 30697800 QFNPWYVVLZYSQO-UHFFFAOYSA-N 312.373 2.347 0 40 DEAB Cc1nc(C2(NC(=O)/C=C/c3cscn3)CCCC2)no1 50298237 BMAMKWUBGANQDI-SNAWJCMRSA-N 304.375 2.433 0 40 DEAB CNC(=O)Cc1ccc(N[C@H](C)C(=O)Nc2ccccc2)cc1 40497383 UBLINEKGQJELBB-CYBMUJFWSA-N 311.385 2.414 0 40 DEAB COc1ccc(-c2nc(N)nc3[nH]cnc23)c2ccc(C)nc12 67785923 MTZOZMSAGAIXEQ-UHFFFAOYSA-N 306.329 2.467 0 40 DEAB COC(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 143934 MJAGHPQVMAYOSE-UHFFFAOYSA-N 313.309 2.497 0 40 DEAB O=C(NCCc1cccs1)NCC[S@](=O)c1ccccc1 89847807 UYKHUZYDUJDEPD-OAQYLSRUSA-N 322.455 2.398 0 40 DEAB CC(C)(C)NC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 59740827 BEBUURFVGPZZDZ-UHFFFAOYSA-N 317.311 2.054 0 40 DEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Oc1ccc(F)cc1 102180678 TVLOOGNGZLHOCO-ZIAGYGMSSA-N 319.332 2.296 0 40 DEAB Cc1cc(C(N)=O)ccc1NCC(=O)Nc1ccc(F)cc1F 32913403 OBCGYCPXYZLWHY-UHFFFAOYSA-N 319.311 2.423 0 40 DEAB CC(C)Cc1nc2sc3c(=O)n(N)cnc3c2c2c1CCC2 554830 JIHWGRIFPSCJOH-UHFFFAOYSA-N 314.414 2.407 0 40 DEAB CCn1ncc(Cl)c1C(=O)N(C)Cc1c(C)nn(C)c1C 2777854 NZRHQJYXZXTUAO-UHFFFAOYSA-N 309.801 2.179 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1ccccc1Br 22073369 RKJRBGUVCSRPJM-UHFFFAOYSA-N 322.118 2.190 0 40 DEAB COc1ccccc1CC(=O)Nc1cnc2c(c1)c(C)nn2C 22895743 RUZZQACLVAUXMR-UHFFFAOYSA-N 310.357 2.467 0 40 DEAB O=C(CCCNc1ncccn1)N[C@@H]1CCOc2ccccc21 42397996 IRSYFHUNXGFKRK-CQSZACIVSA-N 312.373 2.309 0 40 DEAB CCOc1ccc(OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 43006174 TVOJUYFMEPQZHA-CJNGLKHVSA-N 321.398 2.445 0 40 DEAB Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCCC3)c2C)n1 24538666 VLMQGWJTJNRKHC-UHFFFAOYSA-N 313.405 2.061 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@@H](c2ccco2)N(C)C)no1 43137748 LGSYNTWSJPGMAF-ZDUSSCGKSA-N 306.366 2.020 0 40 DEAB C[C@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1sccc1C(N)=O 7828807 GAAAIHBBWYTABF-UWVGGRQHSA-N 322.386 2.074 0 40 DEAB Cc1csc(N2CCCN([C@H](C)C(=O)NC(C)(C)C)CC2)n1 106141096 UKQYFLSOUFCBNJ-CYBMUJFWSA-N 324.494 2.267 0 40 DEAB N#C[C@H](C(=O)COc1ccccc1)c1nnc2n1CCCCC2 3190751 RRYVPLFOSHGRPP-CQSZACIVSA-N 310.357 2.260 0 40 DEAB O=C(O)CCN1CCN(Cc2c(F)cccc2Cl)CC1 35126441 SIFPFRBQSFUPEG-UHFFFAOYSA-N 300.761 2.071 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H]2C[C@@H]2C)cc1 108854214 PSLJIMUYKCWVCQ-RBZYPMLTSA-N 304.346 2.171 0 40 DEAB C[C@H](NC(=O)NC[C@H]1COCCO1)c1ccc2c(c1)CCCC2 57082187 GIGQKAQHVLSHLU-GUYCJALGSA-N 318.417 2.341 0 40 DEAB NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CC[C@H](C(=O)O)C1 35622896 PKPMAWHLBJUYDN-JQWIXIFHSA-N 302.296 2.112 0 40 DEAB O=C(c1ccc2c(c1)CCC2)N1CCN(C[C@H]2CCCO2)CC1 57948654 OOJBQBNJSOUVFK-GOSISDBHSA-N 314.429 2.112 0 40 DEAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@@H](O)c1ccccc1 58290520 NRYOBZRZTURSLX-CYBMUJFWSA-N 322.405 2.140 0 40 DEAB Cc1ncc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)s1 44972289 BBPWPJNFBIRVDX-UHFFFAOYSA-N 306.416 2.382 0 40 DEAB CN1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 62066497 FVYMIAOQEKHIRC-UHFFFAOYSA-N 317.614 2.490 0 40 DEAB O=C(Cn1ccnc1)Nc1ccccc1C(=O)NC1CCCC1 10809662 GSMXUFIFTJDURW-UHFFFAOYSA-N 312.373 2.194 0 40 DEAB COc1ccc(N(C)C(=O)[C@@H](C)c2c(C)nn(C)c2C)cn1 58874207 LTFOIAILGWDUST-JTQLQIEISA-N 302.378 2.207 0 40 DEAB CCOC(=O)N1CCC(C(=O)N[C@H](C)c2ccccn2)CC1 28780704 STGRDKOTRKRTJI-GFCCVEGCSA-N 305.378 2.127 0 40 DEAB CCOCCCn1cnc2c([nH]c3ccc(OC)cc32)c1=O 2438293 RKGDTYQWEATWJN-UHFFFAOYSA-N 301.346 2.313 0 40 DEAB CCOc1ccc2nc(NC(=O)[C@H](C)n3cncn3)sc2c1 12790273 VVKOXCANJGIBBY-VIFPVBQESA-N 317.374 2.486 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)n1 70008352 LWILBROARXMPPH-LSDHHAIUSA-N 301.394 2.121 0 40 DEAB COC(=O)CCc1ccc(NCC(=O)N2CCC[C@@H](C)C2)cc1 69704811 NDHOCYVUPFPWKI-CQSZACIVSA-N 318.417 2.463 0 40 DEAB O=C(Cn1cnc2cc3c(cc21)OCCO3)Nc1ccccc1 64794773 SILWXXMNDBSGSZ-UHFFFAOYSA-N 309.325 2.446 0 40 DEAB CN(C)C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 13849412 QAIQESRBMHWRPZ-UHFFFAOYSA-N 324.427 2.180 0 40 DEAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1ccc[nH]c1=O 65521131 VRUDCMLHDBUZBA-UHFFFAOYSA-N 310.353 2.465 0 40 DEAB Cc1noc(COC(=O)c2cccc(NC(=O)C3CC3)c2)n1 24334429 OVIOCJBTHAWJGF-UHFFFAOYSA-N 301.302 2.084 0 40 DEAB CCn1cnnc1C1CCN(C(=O)[C@H]2C[C@@H]2c2ccco2)CC1 65623732 BSFNDXFSHSCYCS-KBPBESRZSA-N 314.389 2.401 0 40 DEAB COCCN1CC[C@H](CNC(=O)c2cc3ccc(C)cc3[nH]2)C1 65623341 OAWMCWGCNFDQOY-CQSZACIVSA-N 315.417 2.174 0 40 DEAB CCCNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624507 LWLFQQOIRNKMQQ-UHFFFAOYSA-N 307.346 2.041 0 40 DEAB biogenic COc1ccc(Cc2nnc3sc(-c4cnccn4)nn23)cc1 6668911 MUCJOOGYSVRVBV-UHFFFAOYSA-N 324.369 2.242 0 40 DEAB Cc1n[nH]cc1[C@@H]1NC(=O)c2cc(Br)ccc2N1 69599565 SLQMSZSKKZGPNQ-NSHDSACASA-N 307.151 2.335 0 40 DEAB COC(=O)c1cccc(NS(=O)(=O)c2ccccc2F)c1 6820275 YIUVNXAAXLFQOK-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1Cl)c1nnc2n1CCC2 66966497 DNLPWPZZJUSHBI-SNVBAGLBSA-N 320.780 2.134 0 40 DEAB COc1ccccc1CC(=O)OCC(=O)NC1CCCCC1 7035297 WHAQFWMFHHATBT-UHFFFAOYSA-N 305.374 2.230 0 40 DEAB c1cc(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)ccn1 89884968 VMZWWCZNSVNVOB-UHFFFAOYSA-N 311.345 2.047 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)N2)cc1 9192415 CZYKKXYLAGRQFX-OAHLLOKOSA-N 322.368 2.290 0 40 DEAB COc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3C[C@@H]3C)c(C)c12 75515702 LHRREZOJXUTVGJ-ZANVPECISA-N 316.405 2.051 0 40 DEAB O=C(COc1ccccc1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 19787903 LPOBNCVBSGLGFD-JZXOWHBKSA-N 314.429 2.398 0 40 DEAB Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(F)c2)c(=O)[nH]1 9363867 JBUUYVFQUMTKKF-UHFFFAOYSA-N 307.300 2.236 0 40 DEAB Cc1cnc(-c2cccc(NC(=O)C3=NN(C)C(=O)CC3)c2)o1 66812284 FKTIVCYSPYSBOO-UHFFFAOYSA-N 312.329 2.197 0 40 DEAB CN1CC2(c3ccccc3)CN(C)CC(c3ccccc3)(C1)C2=O 19857060 SXWZIHPBPHHLQI-UHFFFAOYSA-N 320.436 2.322 0 40 DEAB CC[C@H](NC(=O)c1cncc(-c2cnn(C)c2)c1)[C@H]1CCOC1 72297011 IPDHBZKYOAZJAH-LRDDRELGSA-N 314.389 2.027 0 40 DEAB C/C(=C\C(=O)NCCCC(N)=O)c1ccc(C(F)(F)F)cc1 96314797 ITKMETZXECYWRG-MDZDMXLPSA-N 314.307 2.490 0 40 DEAB CC(C)OCCC(=O)N1CCNC(=O)[C@H]1c1ccccc1Cl 97086643 OXZWMXXMRNUTNL-OAHLLOKOSA-N 324.808 2.155 0 40 DEAB O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1cc[nH]n1 97086334 DANDKWUELZGBOW-UHFFFAOYSA-N 320.780 2.148 0 40 DEAB O=C(COc1cc(F)ccc1F)N[C@H]1CCC[C@H]1n1ccnc1 71879418 RFVNDBYWVXCDRE-UONOGXRCSA-N 321.327 2.450 0 40 DEAB COc1ccc(S(=O)(=O)NCc2ncccc2C)c(C)c1C 71910238 LBFAWIWERXARQH-UHFFFAOYSA-N 320.414 2.494 0 40 DEAB COc1ccccc1[C@H](C)CNS(=O)(=O)c1ccc(N)cc1 97114510 FVFYTXWGGMSXIJ-GFCCVEGCSA-N 320.414 2.359 0 40 DEAB NC(=O)[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F 76068664 FGGHJQQWFDBCBX-WPRPVWTQSA-N 315.295 2.481 0 40 DEAB CC(C)CN1C[C@@H](C(=O)Nc2n[nH]c3ccccc23)CC1=O 78371066 UVIZTOVIHGQJCY-NSHDSACASA-N 300.362 2.006 0 40 DEAB CS(=O)(=O)NCCN1CCC[C@H]1c1ccc(Cl)cc1 95393120 KNIFYZAGYYLMTL-ZDUSSCGKSA-N 302.827 2.026 0 40 DEAB CCc1nc2n(n1)C[C@@H](NCc1nc3ccccc3nc1C)CC2 78783577 LEEIWLKXQCJDGJ-ZDUSSCGKSA-N 322.416 2.197 0 40 DEAB CCOC(=O)[C@H](NCc1nnc(C(C)C)o1)c1cccc(O)c1 95405733 ZLDWMJBUMHHGJD-CQSZACIVSA-N 319.361 2.293 0 40 DEAB C[C@H](CC(=O)NCC1(C)CCOCC1)NC(=O)C1CCCC1 95409524 ZNXGRTYOBIUHJL-CYBMUJFWSA-N 310.438 2.004 0 40 DEAB CC(C)Oc1cccc(CNC(=O)Nc2ccc(=O)n(C)c2)c1 95955725 KKFLUANCNTUXKX-UHFFFAOYSA-N 315.373 2.494 0 40 DEAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1Cc2ccccc2O1 75117998 SCXOHOXQIACSGR-LBPRGKRZSA-N 324.258 2.336 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccccc1Cl 409380273 AXPXUIVYDBFNCB-FJJYHAOUSA-N 307.733 2.323 0 40 DEAB Fc1cccc(CN2CCN(c3nccn4ccnc34)CC2)c1 306129776 IMOCNJYYMRJKFZ-UHFFFAOYSA-N 311.364 2.191 0 40 DEAB Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)Cc2c[nH]nc2C)on1 548352177 SUDOKZYJIIJWSC-GJZGRUSLSA-N 321.400 2.059 0 40 DEAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCOC[C@H]1CC(C)C 79306047 VEGCWEFYPMPOJI-GXTWGEPZSA-N 308.426 2.246 0 40 DEAB Cc1ccccc1[C@H]1CCN(C(=O)c2c[nH]c(=O)[nH]2)CCS1 219288501 XLALATWIYBFJOL-CQSZACIVSA-N 317.414 2.332 0 40 DEAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)NCCc1ccccc1 35524869 FJYSDHCHTHXUIV-UHFFFAOYSA-N 324.380 2.079 0 40 DEAB O=C(c1cccnn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 529368663 XHDZKMSZJUTQMA-HLLBOEOZSA-N 309.369 2.121 0 40 DEAB O=C1CCSC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)N1 75171248 JWMBHBHNHUPTOW-JTQLQIEISA-N 302.758 2.039 0 40 DEAB CCCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC 217706729 QDCGWMSGZHZPHT-UHFFFAOYSA-N 314.407 2.285 0 40 DEAB Cn1cc([C@H](C(=O)O)N2CCCC2)c2cc(C(=O)O)ccc21 36353793 NOTCZXMGIJURPW-CQSZACIVSA-N 302.330 2.098 0 40 DEAB C[C@@]1(C(=O)NCc2cccnc2)CC(c2cccs2)=NO1 226749678 DZIOYELADWDTSA-HNNXBMFYSA-N 301.371 2.343 0 40 DEAB COC(=O)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1C 44663070 FYJOCTABGVRFRP-NSHDSACASA-N 308.403 2.247 0 40 DEAB COc1ccc(CNC(=O)NC2CC(C)(C)NC(C)(C)C2)cn1 45545434 PCKVXCZKGILHBV-UHFFFAOYSA-N 320.437 2.199 0 40 DEAB CNCCCN(C)c1nc(Cl)nc(Nc2cccc(F)c2)n1 199800649 IAGOJUNWWPSUIQ-UHFFFAOYSA-N 324.791 2.453 0 40 DEAB CC(C)C[C@H](O)CNC(=O)[C@H]1CCN(c2ccccc2)[C@@H]1C 225608768 WYYLRDFLCYDOKN-PVAVHDDUSA-N 304.434 2.425 0 40 DEAB COc1ccc2cc(C(=O)NC[C@H]3CCCO3)c(C)nc2c1 138221094 AQNXCVSPNWOARK-CQSZACIVSA-N 300.358 2.461 0 40 DEAB CCC[C@@H]1CN([C@@H]2Cc3ccccc3[C@@H]2O)CCN1CCOC 195550378 WXOALGWQKANFHY-QRQLOZEOSA-N 318.461 2.077 0 40 DEAB CCn1c(N2CCOCC2)nc2sc3c(c2c1=O)CCCC3 41394023 QHFGXIUZGSGXQY-UHFFFAOYSA-N 319.430 2.193 0 40 DEAB CCOC(=O)c1cnc(N2CCC=C(c3ccncc3)C2)cn1 572432058 PYKYINBWCQIYQU-UHFFFAOYSA-N 310.357 2.342 0 40 DEAB CN1CCN([C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)CC1 225146267 QEFWVECXGDIDPW-CYBMUJFWSA-N 317.216 2.237 0 40 DEAB Cc1ncc2n1CC[C@@H](C(=O)N[C@@H]1C[C@H]1c1ccsc1)C2 530002671 PLGWSDMFXLHVFT-BYCMXARLSA-N 301.415 2.488 0 40 DEAB O=C(N1CCCC1)N1CC[C@H]2OCCC[C@@]2(COCC2CC2)C1 96039936 KTFVTIYDLWBIAZ-AEFFLSMTSA-N 322.449 2.500 0 40 DEAB Cc1cnc(SC[C@H](O)CN2CCc3ccccc3C2)nc1 95442886 CGXJWDOADFGHCU-MRXNPFEDSA-N 315.442 2.296 0 40 DEAB Cc1sc(NC(=O)C2CC2)c(C(=O)NCC2(CO)CC2)c1C 96475627 NCJZWNHJSRQLKU-UHFFFAOYSA-N 322.430 2.216 0 40 DEAB CN(C)c1ccnc(C(=O)Nc2ccccc2Cn2cncn2)c1 97104166 ZLFYCHWFHCZAPQ-UHFFFAOYSA-N 322.372 2.040 0 40 DEAB COC(=O)CN1CCCN(C/C=C/c2ccc(F)cc2)CC1 96489961 ZVVBBLOTOAIYAK-DUXPYHPUSA-N 306.381 2.020 0 40 DEAB CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 96208553 OVGUNAWIRUMEOQ-SJLPKXTDSA-N 317.433 2.081 0 40 DEAB CC(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 96454464 AIVVBRXKHCDROK-CZUORRHYSA-N 314.389 2.058 0 40 DEAB COC(=O)c1sccc1Cn1nnc(-c2ccsc2)n1 96465905 IXLQJLQHYSFXCM-UHFFFAOYSA-N 306.372 2.298 0 40 DEAB C[C@H](NC(=O)C1(N(C)C)CCC1)c1noc(-c2ccccc2)n1 96487164 WZPOMZFSPBWULQ-LBPRGKRZSA-N 314.389 2.398 0 40 DEAB O=C(N1CCCC1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238416 CGRIYCQOTQEZDR-GOSISDBHSA-N 313.401 2.331 0 40 DEAB c1ccc(CO[C@@H]2CC[C@H]3[C@H]2OCCN3C2CCOCC2)nc1 96065838 PLJLRCXBEIUMFG-RCCFBDPRSA-N 318.417 2.009 0 40 DEAB CC[C@H]1CN(C(=O)c2cccn2C)[C@H](CC)CN1CC(C)(C)O 252536400 ILZSCCLEMIFZQG-LSDHHAIUSA-N 321.465 2.111 0 40 DEAB CN(C(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257237641 HHKOBQUAPNEAIT-JHJVBQTASA-N 317.307 2.052 0 40 DEAB O=C(Cc1cccs1)NCc1ccnc([C@@H]2CCCOC2)n1 257258559 KUOKVHYGOHHZAI-GFCCVEGCSA-N 317.414 2.291 0 40 DEAB CC(=O)NCc1cnc([C@@H]2CCN(CCc3ccccc3)C2)[nH]1 257239401 HPCQUXBCZFYVFG-MRXNPFEDSA-N 312.417 2.078 0 40 DEAB CCn1cc(C(=O)N2CCC[C@H]2c2cc(NC)nc(C)n2)cn1 257315152 VADQWUWXLLBXLU-AWEZNQCLSA-N 314.393 2.020 0 40 DEAB Cn1nnc2c1C[C@@H](C(=O)N1CCC=C(c3ccccc3)C1)CC2 291137494 WCVKTWRHEQIMAC-HNNXBMFYSA-N 322.412 2.236 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 298117899 SIVFCDPXECGOHC-CZUORRHYSA-N 318.417 2.396 0 40 DEAB O=C(NCC1CCC1)N[C@@H](CN1CCCC1=O)c1ccccc1 46458615 QXNRXFDUXYTWDN-INIZCTEOSA-N 315.417 2.449 0 40 DEAB Cc1ccc(-c2cc(NC(=O)Cn3ccccc3=O)[nH]n2)s1 69458693 AWKFGNITROWMNF-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2c(C)cc(N(C)C)cc2C)CC1 95434573 WETGZMDFPAGZON-UHFFFAOYSA-N 318.421 2.065 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cncn2C)C1 1615142746 ITGWULYITAMCRC-SFHVURJKSA-N 315.417 2.398 0 40 DEAB O=C(O)CC1(CNS(=O)(=O)c2ccccc2)CCCCC1 11766636 FYDJLXWLAQAMKP-UHFFFAOYSA-N 311.403 2.390 0 40 DEAB NC1=N[C@H](c2ccccc2)C2=C(N1)C(=O)N(C1CCCCC1)C2 17004549 JRNIBYOGQKEJOB-OAHLLOKOSA-N 310.401 2.075 0 40 DEAB Cc1cnn(CC(=O)N2CCC(c3cc4ncccc4[nH]3)CC2)c1 19239894 MTQKNYMDXAIUHY-UHFFFAOYSA-N 323.400 2.474 0 40 DEAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(Br)cc1F 169219255 HHUPEHYQXWSBGW-RNCFNFMXSA-N 302.187 2.491 0 40 DEAB C[C@@]1(c2ccco2)NC(=O)N(CCOc2cccc(F)c2)C1=O 32330034 OKRLEMJPBADRQQ-INIZCTEOSA-N 318.304 2.265 0 40 DEAB CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O 37418125 ZDXOHBGEPBRCQX-JTQLQIEISA-N 323.773 2.257 0 40 DEAB O=C(NCc1ccncc1)C(=O)Nc1ccc(F)c(Cl)c1 5251095 FDBDDXPBULUACP-UHFFFAOYSA-N 307.712 2.129 0 40 DEAB Cc1cc2oc(=O)cc(CN3C[C@H](C)O[C@@H](C)C3)c2cc1O 20609945 WFYOGACWNAFSPS-RYUDHWBXSA-N 303.358 2.416 0 40 DEAB biogenic O=C(NC[C@H](O)c1ccsc1)Nc1ccc2c(c1)OCO2 56906578 UNCARPCAUAOZOO-NSHDSACASA-N 306.343 2.332 0 40 DEAB O=C(COc1ccccc1F)NC[C@]1(O)CCc2ccccc21 75155660 OGMMXKRDPFQXHO-GOSISDBHSA-N 315.344 2.155 0 40 DEAB Cc1cccc(NC(=O)C(=O)NCC[C@@H](O)c2ccoc2)c1C 96097334 ZEULAHDCVXGBGC-OAHLLOKOSA-N 316.357 2.075 0 40 DEAB CN(C)c1ccc(C(=O)N2CCC[C@H]2CN2CCCC2)cc1 34805121 AXQOSPWMOKMYSB-KRWDZBQOSA-N 301.434 2.453 0 40 DEAB COc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 100184333 ALIIIWWOFFCEST-APYUEPQZSA-N 311.337 2.209 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2cccs2)c(=O)[nH]1 31257639 RRIAHSUEAQSIMI-CYBMUJFWSA-N 317.414 2.354 0 40 DEAB CCOc1ccc(-c2noc(CN3CCO[C@H](C)C3)n2)cc1 40497534 QBOJQHYXALGQJE-GFCCVEGCSA-N 303.362 2.356 0 40 DEAB CC(=O)c1ccccc1OCc1ccc(S(=O)(=O)N(C)C)o1 40543030 DYPJYGDWOKZVFB-UHFFFAOYSA-N 323.370 2.312 0 40 DEAB O=C(CCn1ccnn1)Nc1ccc(Br)cc1F 36720052 XTCOUMYVOLCTRR-UHFFFAOYSA-N 313.130 2.209 0 40 DEAB CCc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 211294 JVDUQSGRSQBETL-UHFFFAOYSA-N 301.371 2.164 0 40 DEAB O=C(O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 1197159 SLSURLHBKRZMFX-KPWCQOOUSA-N 309.321 2.086 0 40 DEAB CCCCCCNC(=O)[C@@H](CC(=O)O)NCc1ccccc1 1621254 WBTIOTMSDPRJRG-OAHLLOKOSA-N 306.406 2.316 0 40 DEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1 21136503 YQKWSKXZMUPVOB-IINYFYTJSA-N 300.362 2.256 0 40 DEAB CC[C@H](C)NC(=O)[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 6738559 ZUPDBJMHGAGNAY-BONVTDFDSA-N 306.362 2.112 0 40 DEAB Nc1nc(N)nc(SCc2cccc(C(F)(F)F)c2)n1 8735882 HSHYJYGPDPVTCF-UHFFFAOYSA-N 301.297 2.347 0 40 DEAB Cc1ccc(C(=O)NCc2cccnc2-n2cccn2)c(C)n1 52664318 QOOMKTANQUKUTG-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 556257 JMEFYMAHOLOMEX-VMPITWQZSA-N 306.337 2.140 0 40 DEAB Cc1ccc2nc(CN3CCC[C@H]3c3cnn(C)c3)cc(=O)n2c1 69653040 GUQMIMGLEMBRGA-INIZCTEOSA-N 323.400 2.074 0 40 DEAB Cn1nnnc1SCc1ccc(Br)cc1F 42199504 BVRWELKMRYZOMO-UHFFFAOYSA-N 303.160 2.404 0 40 DEAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cn(C)c3ccccc13)CCO2 106797836 NKIDGNXBMSBEHT-ZACQAIPSSA-N 314.385 2.197 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)c1cc(F)c(F)cc1Cl 47172617 YTWJSDRSTBBPTB-NSHDSACASA-N 302.708 2.017 0 40 DEAB Cc1csc(CNC(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)n1 61633795 AMAUMBSECWCTMP-DGCLKSJQSA-N 310.467 2.371 0 40 DEAB O=C(NOCc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 25037170 GTJVSHAXDNSHSQ-KRWDZBQOSA-N 324.380 2.283 0 40 DEAB COCCNC(=O)c1ccc(NC(=O)C2CCC2)cc1Cl 55475641 GKYGRBDHHAEVNL-UHFFFAOYSA-N 310.781 2.455 0 40 DEAB Cc1ccc(OCCSCCN2C(=O)NC(C)(C)C2=O)cc1 43731725 QJXCZTDCZNTLTK-UHFFFAOYSA-N 322.430 2.437 0 40 DEAB C[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986718 LTAOCZHNULTUGQ-PUSOZUMLSA-N 303.402 2.450 0 40 DEAB CN(Cc1nc(N)nc(Nc2ccccc2)n1)Cc1ccco1 12549256 PZOAKNZILIJTON-UHFFFAOYSA-N 310.361 2.422 0 40 DEAB Cc1ccc2nc(CNc3cc(C(N)=O)ccc3C)cc(=O)n2c1 58184882 ULKRWQRVQUCAOE-UHFFFAOYSA-N 322.368 2.022 0 40 DEAB COC(=O)c1cccc(CN2C(=O)CN(c3ccccc3)C2=O)c1 58245860 LHTAAHAQSZCKQS-UHFFFAOYSA-N 324.336 2.442 0 40 DEAB c1cc(CNCc2ccnc(-n3cccn3)c2)c2c(c1)OCO2 44948731 ATOWGWXGJCRKHF-UHFFFAOYSA-N 308.341 2.286 0 40 DEAB CCc1nnc2n1N=C(c1ccc(C)cc1)[C@H](CC(=O)O)S2 8391866 ZJANTAFRLXEJTG-NSHDSACASA-N 316.386 2.350 0 40 DEAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@@H](C(=O)O)C1 62117842 GKHXDNFCTKEOTQ-GHMZBOCLSA-N 311.765 2.349 0 40 DEAB C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ccccc1)C2=O 3319953 WBVAAHUOXIIKBH-YVEFUNNKSA-N 315.373 2.126 0 40 DEAB C[C@@H](SCc1ccccc1)C(=O)NCCNc1cnccn1 48263621 ZWLCQEZNLNXZCO-CYBMUJFWSA-N 316.430 2.327 0 40 DEAB CCOC(=O)C1=C(C)[C@@H](c2ccc(OC)cc2)NC(S)=N1 8677736 BQZLSAVUOZKFFZ-LBPRGKRZSA-N 306.387 2.462 0 40 DEAB CC1(C)CC(NC(=O)c2cccc3c2OCCO3)CC(C)(C)N1 63465573 RPORSIPVIHZNDU-UHFFFAOYSA-N 318.417 2.497 0 40 DEAB Cc1cccc(-n2ccnc2S(=O)(=O)Cc2cc(C)no2)c1 63545973 GKXUAXVUJGLTKD-UHFFFAOYSA-N 317.370 2.451 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc2ccc(OC)cc2[nH]1 5204967 YBCZCMVOTYJLGN-CYBMUJFWSA-N 301.390 2.391 0 40 DEAB Cc1ccc(C(=O)N(C)Cc2cc(-c3ccco3)on2)c(=O)[nH]1 65474824 HSJYAVHKYXUVAA-UHFFFAOYSA-N 313.313 2.204 0 40 DEAB NC(=O)N[C@H](CC(=O)NCc1ccccc1)c1cccs1 14051191 LVEXXDNQAQFJNQ-GFCCVEGCSA-N 303.387 2.164 0 40 DEAB CC(C)N(C)C(=O)[C@H]1CCCN(C(=O)Nc2ccncc2)C1 65551383 PUQZIRQRBFQQMY-ZDUSSCGKSA-N 304.394 2.192 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@@H](c1nccn1C)C(C)C 65595537 UYINLTRBEMDTHW-CQSZACIVSA-N 304.442 2.015 0 40 DEAB O=C1CN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CCN1 8774398 VNQDUFBTCKYLDP-UHFFFAOYSA-N 312.394 2.086 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2sc(C)nc2C)CC1 65623880 LGGVRGCYSLMKGE-UHFFFAOYSA-N 319.434 2.391 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 8736166 OTOYQMCHEHQTBX-OAHLLOKOSA-N 315.373 2.377 0 40 DEAB Cc1c(C)n(-c2cccnc2)c2ncn(CCCN(C)C)c(=N)c12 6671901 ZFMHFTHKZPKVCV-UHFFFAOYSA-N 324.432 2.270 0 40 DEAB COC(=O)c1ccccc1NC(=O)COc1ccccc1C=O 5653270 HYPVZXTZCKLXLC-UHFFFAOYSA-N 313.309 2.303 0 40 DEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccc(F)cc1 7046616 BKXYUGRZLICYQS-UHFFFAOYSA-N 318.348 2.474 0 40 DEAB NC(=O)C1(NC(=O)c2ccc(OC(F)(F)F)cc2)CCCC1 70877866 JQZHXBNSHOIXLR-UHFFFAOYSA-N 316.279 2.113 0 40 DEAB Cc1cc(C(=O)Cn2nnc(-c3cccc(F)c3)n2)c(C)n1C 7149115 PNNXFUUNXWBALP-UHFFFAOYSA-N 313.336 2.317 0 40 DEAB CN(C)[C@H](CNC(=O)COc1ccc(F)cc1)c1ccco1 15831442 FJTQLTNDCDKPDE-CQSZACIVSA-N 306.337 2.217 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CNC(=O)CN1CCCCC1 7909263 HRSIGXXYVWLRAR-UHFFFAOYSA-N 323.824 2.189 0 40 DEAB COc1ccc(CN2CCC(N3CCCNC3=O)CC2)cc1 93669453 LSCSETDBEKDHCW-UHFFFAOYSA-N 303.406 2.075 0 40 DEAB Cc1ccc(-c2csc(NC(=O)Cn3cnnn3)n2)c(C)c1 9499974 WLIGUIXJUMNSHJ-UHFFFAOYSA-N 314.374 2.052 0 40 DEAB CN(C)[C@H]1CCN(c2nc(C3CCCC3)nc3c2cnn3C)C1 72166282 WDQUGODVSXBJCW-ZDUSSCGKSA-N 314.437 2.161 0 40 DEAB O=C(O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1 9576177 PGLUICHECMWBTD-KRWDZBQOSA-N 324.380 2.450 0 40 DEAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 71888305 LXGSKYVCZXYJPA-ZJUUUORDSA-N 318.764 2.213 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)NCc1ccco1 71876649 YNOLNIFMOUVMKK-HNNXBMFYSA-N 316.405 2.083 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 71870049 VNGBAUMNUZXTHJ-OAHLLOKOSA-N 316.405 2.338 0 40 DEAB COc1ccc([C@@H](NC(=O)Cn2ccnc2)C(F)(F)F)cc1 97080022 ZCUHFUGRYMTSHN-CYBMUJFWSA-N 313.279 2.312 0 40 DEAB OCc1ccccc1CNC1CCN(c2nccs2)CC1 97081003 JQAGIQKTUURJAS-UHFFFAOYSA-N 303.431 2.394 0 40 DEAB CC(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 97081572 CYGWFMKMEQHXGM-CQSZACIVSA-N 300.761 2.429 0 40 DEAB Cc1cc(C)n(CCCN[C@@H]2CCN(CC(F)(F)F)C2)n1 72312288 PSGTWJBHEIKBJW-CYBMUJFWSA-N 304.360 2.116 0 40 DEAB O=C1NC2(CCN(C3CCCCC3)CC2)Nc2ncccc21 95394213 PFSSKXDHRNPEJY-UHFFFAOYSA-N 300.406 2.362 0 40 DEAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(CO)o1 84736338 DSQLLZBVEGTICX-CZUORRHYSA-N 308.422 2.145 0 40 DEAB O=C(NC[C@H](O)c1ccco1)C1(c2ccccc2)CCOCC1 95417258 LRBLUBUCTRSZMR-HNNXBMFYSA-N 315.369 2.178 0 40 DEAB O=C(O)CCNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 95424235 CZOXJUKYQYJJIR-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB Cc1cnn(CCCNC(=O)N[C@](C)(CO)C2CCCCC2)c1 95410332 JLJCKNCERRSTTH-QGZVFWFLSA-N 322.453 2.212 0 40 DEAB CCNC(=O)c1ccc(N2CCC[C@H](c3nccs3)C2)nn1 95994711 YTKQNAVIOFECCN-NSHDSACASA-N 317.418 2.067 0 40 DEAB CC[C@](C)(CC(=O)O)NC(=O)c1cnn(Cc2ccccc2)c1 95970258 PEFRQSFLFCFUED-QGZVFWFLSA-N 315.373 2.305 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 95989544 WUTPCKIQEDXKBR-CQSZACIVSA-N 305.359 2.075 0 40 DEAB COC(=O)CN(Cc1ccc(F)c(F)c1)c1cc(C)ncn1 95986708 CDGFVSQNQKULNG-UHFFFAOYSA-N 307.300 2.243 0 40 DEAB COC[C@H]1CN(C(=O)NCCc2cc3ccccc3o2)CCO1 74380451 NSIIFEGYWRZLGW-OAHLLOKOSA-N 318.373 2.032 0 40 DEAB CNC(=O)c1ccc(NC(=O)[C@@H]2CCN2Cc2ccccc2)cc1 78875668 XYGTZXQCJMKWKQ-KRWDZBQOSA-N 323.396 2.259 0 40 DEAB CSCc1cc(C(=O)NCCC(=O)N2CCCC2)ccc1F 78971826 PPEDNZLARQRHBM-UHFFFAOYSA-N 324.421 2.431 0 40 DEAB Cc1nnc2ccc(N3C[C@H](C)O[C@H](c4ccsc4)C3)nn12 89740923 AXIOHZIIQNDBDY-GWCFXTLKSA-N 315.402 2.461 0 40 DEAB CCNc1nc(OC)nc(Sc2nc(C)cc(Cl)n2)n1 26962380 BIVHSWGEBLJNKO-UHFFFAOYSA-N 312.786 2.215 0 40 DEAB O=C(N[C@H]1CCN(Cc2cncs2)C1)c1ccc(F)cc1F 1016150459 QDAPXCJQTRBDRL-NSHDSACASA-N 323.368 2.426 0 40 DEAB CNC(=O)CCc1cc(C)nc([C@@H]2CCCN(C(C)C)C2)n1 72366390 WAWSOQSFVQTWFG-CQSZACIVSA-N 304.438 2.051 0 40 DEAB Cc1ccc(OCC(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642419 YMOOUOUPBCDFNB-UHFFFAOYSA-N 309.369 2.422 0 40 DEAB CC(C)C[C@@H](CNc1ncnc2c1cnn2C)N1CCCC1 32760671 BFBZEURDMHSGPU-ZDUSSCGKSA-N 302.426 2.286 0 40 DEAB Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)n1 40714841 XPSVZQYBIWQLRI-AVGNSLFASA-N 319.361 2.099 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)NCCN1CCC(C)CC1 45745020 ZNLMRFRMUPGRLY-UHFFFAOYSA-N 314.426 2.144 0 40 DEAB O=C(Cc1ccsc1)N1CCC[C@H](Oc2cccnn2)C1 225456709 LVKWLIMPQGJKJK-ZDUSSCGKSA-N 303.387 2.151 0 40 DEAB O=C(Cc1ccccc1F)N1CCC[C@H](Oc2cnccn2)C1 225472900 JYBFNOYLYQTJFB-AWEZNQCLSA-N 315.348 2.228 0 40 DEAB Cc1ccccc1COC1CCN(C(=O)[C@@H](N)C(C)C)CC1 195555012 YXPOWUUYRREJTO-KRWDZBQOSA-N 304.434 2.486 0 40 DEAB CC(=O)Nc1ccc(C(=O)NCc2cnn3ccccc23)cc1 75162694 VPBSYTFZYOXCMT-UHFFFAOYSA-N 308.341 2.223 0 40 DEAB O=C(Nc1ccc(F)cc1F)c1cc(N2CCOCC2)on1 224075408 OKXMVZZVBUPHAN-UHFFFAOYSA-N 309.272 2.042 0 40 DEAB N[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)C1 573207644 AWFBZUNVTSYINC-IYBDPMFKSA-N 323.396 2.292 0 40 DEAB CO[C@@H](C(=O)N1CC[C@H](Cc2cnn(C)c2)C1)c1ccccc1 195556169 WHMTVQNAQDHTCQ-RHSMWYFYSA-N 313.401 2.199 0 40 DEAB O=C(NC1CCCC1)[C@@H]1C[C@@H]2CCN(Cc3ccco3)C[C@H]2O1 96058250 ZUKOTHVCEMEKRD-RRQGHBQHSA-N 318.417 2.318 0 40 DEAB CN1CCC2(CC[C@H](C(=O)NCCc3cccs3)O2)CC1 96110006 IVRAXVZMEDZUMM-CQSZACIVSA-N 308.447 2.050 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)NC3CC3)C[C@H]3OCC[C@H]32)s1 96057660 QCXLXHKJXVSOGM-APHBMKBZSA-N 320.458 2.315 0 40 DEAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2csc(C)n2)cn1 96215098 RPMMWQCGNAHBDO-CQSZACIVSA-N 303.387 2.369 0 40 DEAB O=C(Cn1cccn1)Nc1cccc(CN[C@H]2CCSC2)c1 96476671 JPHGVTUCOBLREJ-HNNXBMFYSA-N 316.430 2.117 0 40 DEAB C[C@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)C[C@@H](C)O1 96192730 DUVYWRFDLJVUQZ-AHIWAGSCSA-N 302.374 2.206 0 40 DEAB COc1cc(NC(=O)N(C)Cc2cc(Cl)cn2C)ncn1 96501648 YETFSNRMXGCNSK-UHFFFAOYSA-N 309.757 2.141 0 40 DEAB Cc1nc(COC(=O)c2cnc3ccccn3c2=O)sc1C 96442713 KIWMXAHGDHVQGP-UHFFFAOYSA-N 315.354 2.125 0 40 DEAB COCc1cnc2n1CCN(C(=O)COc1ccccc1)[C@H]2C 96109557 MYGHCXMTZITSCR-ZDUSSCGKSA-N 315.373 2.012 0 40 DEAB Cc1nnnn1Cc1ccc(Br)c2cccnc12 96501863 BRZZUWTVEYHINF-UHFFFAOYSA-N 304.151 2.341 0 40 DEAB Cc1cc(N)cc([C@@H]2CN(CC3(O)CCCCC3)CCO2)n1 257239667 HQHQJAMDMWUVDG-INIZCTEOSA-N 305.422 2.041 0 40 DEAB O[C@H](CNc1ccc(F)cn1)CN1CCc2ccccc2C1 283594580 QDPCRGUZDINSGL-MRXNPFEDSA-N 301.365 2.052 0 40 DEAB COc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c1 298088506 GNOSKZRYWWLROY-DOMZBBRYSA-N 304.390 2.006 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(C(=O)c2cnoc2)C1 585275030 UGEIADBYNANOJK-INIZCTEOSA-N 320.320 2.124 0 40 DEAB Cc1cccc(C2(C(=O)N3CCN(c4cnccn4)CC3)CC2)c1 53238572 CUUQLJAZGONUSY-UHFFFAOYSA-N 322.412 2.165 0 40 DEAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)[C@@H](C)n2ccnc2)C1 54223124 IRGAOAOQQCTCGN-INMHGKMJSA-N 312.417 2.396 0 40 DEAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(N2CCCC2)nc1 67142595 CJBZKQKGVCZXML-UHFFFAOYSA-N 320.393 2.145 0 40 DEAB CC(C)C(=O)N[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69588515 SVHMEHQHAMIKMQ-QRQCRPRQSA-N 322.474 2.031 0 40 DEAB Cc1ncc(C(=O)N2CCN(c3ccccc3O)CC2)s1 63535694 LHFDIOQTOVRHHA-UHFFFAOYSA-N 303.387 2.120 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CSCN1C(=O)C(C)(C)C 70009712 PTVXXJPHAKBEFQ-WCQYABFASA-N 324.446 2.274 0 40 DEAB O=C(c1cnccn1)N(Cc1ccccc1)C[C@H](O)c1ccco1 84368531 JLYUZSAKUXKWBZ-INIZCTEOSA-N 323.352 2.446 0 40 DEAB CCCCCCc1c(C)nc(N2CCN(CC)CC2)[nH]c1=O 14608487 WFFOXPIUPBVAPP-UHFFFAOYSA-N 306.454 2.343 0 40 DEAB Cc1cnccc1CCNC(=O)N1CC[C@@H](OCC(C)C)C1 164056521 AYLWRZQRLASKNC-MRXNPFEDSA-N 305.422 2.389 0 40 DEAB CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1cnc(C)n1C 19287352 AYVKWUVDDARNMH-LSDHHAIUSA-N 308.495 2.130 0 40 DEAB COc1cccc(CC(=O)N2CCO[C@@H](c3ccncc3)C2)c1 1848352169 YNASKHNEFJYTAG-QGZVFWFLSA-N 312.369 2.233 0 40 DEAB Cc1cc(C(=O)NC[C@H](c2ccoc2)N2CCSCC2)no1 253394093 ADHMTBWDNWIWNC-CQSZACIVSA-N 321.402 2.096 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC2(CCN(C(=O)C3(F)CC3)CC2)C1 1614929622 FYRXBAWXOQWWKE-CYBMUJFWSA-N 310.413 2.422 0 40 DEAB COc1cccc(-c2cc(C(=O)NCc3cnoc3C)n[nH]2)c1 575607812 CXIBBBFNRSYTPA-UHFFFAOYSA-N 312.329 2.312 0 40 DEAB COc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1 30363334 NMPVHYGJKDCWGU-UHFFFAOYSA-N 310.397 2.483 0 40 DEAB COc1ncccc1CNC(=O)c1cc(Cl)c2c(c1)OCO2 30306473 XAQWJHUSRFAOHG-UHFFFAOYSA-N 320.732 2.402 0 40 DEAB CC(=O)NCCCNC(=O)c1sc(-c2ccc(C)o2)nc1C 31284835 ZRLCGXYXNVHHSO-UHFFFAOYSA-N 321.402 2.276 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCN(Cc2ccco2)CC1 40480916 POIZPGHOHOSWRQ-UHFFFAOYSA-N 317.389 2.161 0 40 DEAB CCCN(CCO)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 68046037 GIUUXNINUHZYFZ-SJLPKXTDSA-N 307.434 2.146 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCc2nc(-c3ccccn3)no2)c1 69629483 GCTRVPVJFFUZQZ-QWHCGFSZSA-N 312.377 2.376 0 40 DEAB C[C@H]1CN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CCO1 11499561 SFAGDDIPZKEZPE-NSHDSACASA-N 319.336 2.056 0 40 DEAB Cn1c(=O)n(CC(=O)N2CC[C@H]2c2ccccc2)c2ccccc21 45787633 WHJRWJAGNVXTKD-HNNXBMFYSA-N 321.380 2.314 0 40 DEAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)c2ccc(F)cc2F)C1=O 51373876 NWBRLYGIOQBTBV-DOMZBBRYSA-N 312.316 2.109 0 40 DEAB Cc1ccc(O)c(NC(=O)CCn2cnc3ccccc3c2=O)c1 32104045 NRTSZIZQCMOSAU-UHFFFAOYSA-N 323.352 2.439 0 40 DEAB CCn1c(SCC(=O)NC2CC2)nnc1-c1ccccc1 3501517 HLSZPDZSMQTBQP-UHFFFAOYSA-N 302.403 2.336 0 40 DEAB CCN(CC)C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC 6462689 OOMKOUHQEPZLIB-UHFFFAOYSA-N 308.334 2.134 0 40 DEAB C[C@@H](NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc21)c1ccccc1 102232067 FNISCXVVIRBHKZ-ABAIWWIYSA-N 308.337 2.169 0 40 DEAB CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(=O)[nH]c1 32915287 NHSJLHPRJCOFSS-UHFFFAOYSA-N 304.321 2.055 0 40 DEAB Cc1ncc(CN2CC[C@]3(CCC[C@H]3C(=O)NC(C)C)C2)cn1 108530993 OQPOQXVHXIXFSI-FUHWJXTLSA-N 316.449 2.302 0 40 DEAB CN(C)CCCNC(=O)CSc1ccc(C(F)(F)F)cn1 47340049 BNACFMSSRFKEDO-UHFFFAOYSA-N 321.368 2.260 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccncc2)C1 42796521 PNJZLOLILINYMQ-CVEARBPZSA-N 301.390 2.004 0 40 DEAB Cc1cccc(NC(=O)CN(C)c2ncnc3c2cnn3C)c1C 12485782 JFPBMFHFBSNPBI-UHFFFAOYSA-N 324.388 2.055 0 40 DEAB OC1(C(F)(F)F)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 100652059 YZPONCDACUHNIS-CHWSQXEVSA-N 301.308 2.058 0 40 DEAB O=C(c1cc(-n2cnnn2)ccc1Cl)N1CCCCCC1 20721433 MAHZNJQXDQESGZ-UHFFFAOYSA-N 305.769 2.332 0 40 DEAB Cc1ccc(-c2nnn(C[C@H](O)COCc3ccccc3)n2)cc1 25236046 GEYHFFBVDKTQRP-KRWDZBQOSA-N 324.384 2.226 0 40 DEAB NC(=O)NC(=O)CCSCc1cc(F)cc2cccnc12 56243485 GQAIMIKBLSIBFA-UHFFFAOYSA-N 307.350 2.192 0 40 DEAB CNC(=O)Cc1ccccc1NC(=O)NCc1ccc(F)cc1 44180097 PSTIVTDHRAESPI-UHFFFAOYSA-N 315.348 2.436 0 40 DEAB Cc1nc(CN2CC[C@@]3(C[C@H]3C(=O)N3CCCC3)C2)cs1 107789586 YJEKJLHXTQSYJO-GOEBONIOSA-N 305.447 2.286 0 40 DEAB CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N1CCOCC1 35511678 FTESTVHPDSPNHK-KRWDZBQOSA-N 315.421 2.237 0 40 DEAB Cc1cnc(C(=O)OCC(=O)Nc2ccccc2Cl)cn1 3217347 JLJXLQZIZWJSNE-UHFFFAOYSA-N 305.721 2.234 0 40 DEAB O=C(C1CCCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 44738748 PWXDTZBOGSJEHH-QGZVFWFLSA-N 302.418 2.054 0 40 DEAB c1ccc2sc(CN3CCN(c4cnccn4)CC3)nc2c1 44866657 KGZNMNXLJZSPAW-UHFFFAOYSA-N 311.414 2.409 0 40 DEAB Cc1cc(NC(=O)c2cn(-c3ccccc3Cl)nn2)[nH]n1 58282791 NOSLZNVTAWXEAO-UHFFFAOYSA-N 302.725 2.205 0 40 DEAB COCCOc1ccc(NC(=O)N[C@H](C)c2ccncc2)cn1 44952524 QNEJKMPBPWFQOD-GFCCVEGCSA-N 316.361 2.385 0 40 DEAB CC(C)(C)c1ncc(C(=O)N2CCC3(CC2)OCCO3)s1 58392924 GSZOWGYMORNRLG-UHFFFAOYSA-N 310.419 2.420 0 40 DEAB CC(C)=CC(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 58357367 OIYBABTVCSXIQY-MRXNPFEDSA-N 316.401 2.178 0 40 DEAB CCNC(=O)CN(CC)Cc1noc(-c2cccc(C)c2)n1 36396726 ISAIFAVNQMAPIC-UHFFFAOYSA-N 302.378 2.003 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)C1=Cc2cc(Cl)ccc2OC1 36391584 YDKOSWHOEKPDML-JTQLQIEISA-N 322.792 2.147 0 40 DEAB O=c1[nH]c(CNC[C@H]2Cc3ccccc3O2)nc2ccccc12 48343082 UGRQBNRXWHWBCT-CYBMUJFWSA-N 307.353 2.016 0 40 DEAB CNc1nnc(S[C@H](C)C(=O)N2CCCCCC2)s1 8175198 SQKCDWNJOWHTQV-SECBINFHSA-N 300.453 2.463 0 40 DEAB CC[C@@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(C)cc2)C1=O 13074391 WAGZMQHSXXRBNF-MEDUHNTESA-N 303.362 2.043 0 40 DEAB O=C(Nc1ccc(S(=O)(=O)NC2CC2)cc1)N1CCCCC1 408595102 TVTWCKOVQMLXCL-UHFFFAOYSA-N 323.418 2.145 0 40 DEAB CC[C@@H]1CCCCN1C[C@@H](O)COc1cccc(C(=O)OC)c1 13149763 OXFUKHSHXROZHB-HZPDHXFCSA-N 321.417 2.477 0 40 DEAB COc1ccc(-c2nc(CNC(=O)c3cccs3)n[nH]2)cc1 69743608 IMUNBBNKXXVTAO-UHFFFAOYSA-N 314.370 2.472 0 40 DEAB CCCOc1ccc([C@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1 17028560 DQXNRRUZALTSCK-CYBMUJFWSA-N 313.357 2.341 0 40 DEAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2cccnc2)CC1 408709990 KJNNNBUHIPVIPT-UHFFFAOYSA-N 317.433 2.419 0 40 DEAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCC[C@H]1Cn1cccn1 69740518 HSZWXVXFVVLKJX-DZGCQCFKSA-N 324.384 2.000 0 40 DEAB CC[C@@H]1CN(c2ncnc3ccccc23)CCN1CCOC 69739253 BYUNIKOSTGRXBN-CQSZACIVSA-N 300.406 2.177 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N2CCCC[C@@H]2C)nc1 69739718 WIOZTZDBDOSTPC-ZDUSSCGKSA-N 304.394 2.303 0 40 DEAB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1C1CC1 5895596 XNVZSRLUCURRES-UHFFFAOYSA-N 305.330 2.054 0 40 DEAB Cc1nc(C)n([C@@H](C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1 4988316 DYBPYFLUVOANDU-LBPRGKRZSA-N 322.434 2.051 0 40 DEAB CC(=O)NCCNC(=O)CS[C@@H]1CCCc2ccccc21 69918735 KLCDDZBJKHRDHA-OAHLLOKOSA-N 306.431 2.050 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)OCCSC)ccc21 7191911 GGIUPCRCZFNDER-UHFFFAOYSA-N 306.387 2.245 0 40 DEAB CNC(=O)c1ccccc1NC(=O)COc1ccccc1OC 8723097 BIZIVDQAMHKPJH-UHFFFAOYSA-N 314.341 2.072 0 40 DEAB Cc1cc(N2CCCC2)nc2sc3c(=O)n(C)cnc3c12 71282534 TYFUWNPFXNNPTA-UHFFFAOYSA-N 300.387 2.452 0 40 DEAB Cc1nccc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)n1 67562613 RJGOAJVTRWKNBT-LSDHHAIUSA-N 300.337 2.279 0 40 DEAB Cc1ccccc1N1C(=O)C[C@@H](NCCc2ccc(O)cc2)C1=O 9482261 PGXRADMQFBMASA-MRXNPFEDSA-N 324.380 2.165 0 40 DEAB CN(C[C@H]1CCCO1)C(=O)Nc1ccc(N2CCCC2=O)cc1 71855450 WVINDYCMJJTJJR-OAHLLOKOSA-N 317.389 2.456 0 40 DEAB CC(C)[S@](=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 71921253 DXWDSKKQIXNGHQ-HCQWSFJTSA-N 309.431 2.500 0 40 DEAB Cn1c([C@@H]2CCCN2C(=O)Cc2ccon2)nc2ccccc21 71916712 SIRLJRUATHKWKS-HNNXBMFYSA-N 310.357 2.468 0 40 DEAB CCN1CCN(C(=O)NC[C@@H](CC(C)C)N(CC)CC)CC1 71925816 WINFAUPDACNVID-MRXNPFEDSA-N 312.502 2.090 0 40 DEAB COC(=O)[C@H](Sc1nnnn1C1CC1)c1ccccc1C 97163224 MQBUTTOWLBGCSU-GFCCVEGCSA-N 304.375 2.323 0 40 DEAB CCOC(=O)c1cccnc1N1CCC(O)(C(F)(F)F)CC1 97140822 TYODIKKZTQAAMY-UHFFFAOYSA-N 318.295 2.152 0 40 DEAB CCc1nc([C@H]2CCCN2CCC(=O)N2CCCCC2)no1 75573223 JADNRRBEOFJUAA-CYBMUJFWSA-N 306.410 2.172 0 40 DEAB CCc1nnc(NS(=O)(=O)c2ccc(F)c(C)c2)s1 72314379 DWQOCEMYVPZZHA-UHFFFAOYSA-N 301.368 2.349 0 40 DEAB C[C@H](C(=O)NCC(=O)N(C)Cc1cccnc1)c1ccsc1 95399352 FWMJBBTYOLIAML-LBPRGKRZSA-N 317.414 2.021 0 40 DEAB Cc1ccoc1C(=O)NCCCNC(=O)NC[C@H]1CC1(C)C 95399498 JHLPZENSIVPUCO-GFCCVEGCSA-N 307.394 2.053 0 40 DEAB Cn1ccnc1CNC(=O)c1ccn(-c2ccc(Cl)cc2)n1 95441200 CVMFNIKNOOVEGB-UHFFFAOYSA-N 315.764 2.189 0 40 DEAB CC(C)(CNC(=O)OC(C)(C)C)NC(=O)CCc1cccnc1 78488335 TUBWNHZGWABSAZ-UHFFFAOYSA-N 321.421 2.434 0 40 DEAB C[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@@H]1N(C)C 78896633 LYVQQNOZMLTGGT-RDJZCZTQSA-N 316.445 2.143 0 40 DEAB COC(=O)c1ccc(N[C@H]2CCN(CC(F)(F)F)C2)nc1C 95981542 ZEYMDINACBRDLR-JTQLQIEISA-N 317.311 2.225 0 40 DEAB CC(C)(C)c1ccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)nn1 95975310 HVUGQAFUKMUMTD-NSHDSACASA-N 314.393 2.176 0 40 DEAB CN(c1cnn(C)c1)S(=O)(=O)Cc1ccc(F)c(Cl)c1 95975104 KVGFNRABXLCETE-UHFFFAOYSA-N 317.773 2.179 0 40 DEAB C[C@@H](NC(=O)Nc1cnn(C)c1)c1cccc(-n2cccn2)c1 74939770 YEPDPAXZEPLXDL-GFCCVEGCSA-N 310.361 2.489 0 40 DEAB Cc1ccc([C@H](CNC(=O)c2ccc(C)[nH]c2=O)N(C)C)cc1 75124624 LBOCDKMHPQAMHP-INIZCTEOSA-N 313.401 2.024 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)[C@@H](C)Cc1c(C)n[nH]c1C 89689178 AVSLZZAUEQXAAV-YVEFUNNKSA-N 315.417 2.363 0 40 DEAB Cc1nc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)no1 89718395 PXLXXOUAERTZIL-HNNXBMFYSA-N 312.414 2.407 0 40 DEAB NC(=O)C1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)CC1 32104932 VNDDRKDEMKYYRT-UHFFFAOYSA-N 319.792 2.019 0 40 DEAB COCC[C@H]1COCCN1C(=O)c1sc(CC2CC2)nc1C 516223523 QJBQZCGEPHPSOV-ZDUSSCGKSA-N 324.446 2.282 0 40 DEAB C[C@@H]1CN(C)C[C@H](c2nc(COc3ccc(F)cc3)no2)O1 527544011 XAZLXWPAKLNSCN-ZWNOBZJWSA-N 307.325 2.179 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)CC1CCN(Cc2ccccc2)CC1 79390952 QEQQXPRIGNCKOS-SFHVURJKSA-N 317.477 2.340 0 40 DEAB O=C(O)CCC1CCN(S(=O)(=O)c2ccccc2F)CC1 50923481 XEOSQINZZSROQC-UHFFFAOYSA-N 315.366 2.091 0 40 DEAB COc1ccc2c3c1O[C@H]1[C@@H](OC)CC=C4[C@@H](C2)N(C)CC[C@]431 34643615 PIILEVDVSADGMN-UVDFWXMISA-N 313.397 2.299 0 40 DEAB biogenic,in-vitro CN(c1ccccc1C(=O)NCC1CCCCC1)S(C)(=O)=O 73460747 RCRJIVFONQSCHB-UHFFFAOYSA-N 324.446 2.393 0 40 DEAB C[C@H]1CN(C(=O)c2cccnc2-n2cccn2)c2cccnc2O1 189062063 AFMCGWXXXKSFCG-LBPRGKRZSA-N 321.340 2.090 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1N(CC(=O)O)C1CC1 79392434 BYDMOHSMHATXHQ-QWHCGFSZSA-N 312.410 2.371 0 40 DEAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NCCc1ccsc1 72270719 DCMXURGKWVVSBC-AWEZNQCLSA-N 318.446 2.010 0 40 DEAB CCc1onc(C)c1C(=O)N1CCC(OC[C@@H]2CCOC2)CC1 122110954 UULUNHDLVHTGLP-CYBMUJFWSA-N 322.405 2.203 0 40 DEAB O=C(NCc1ccc(OCc2cccnc2)cc1)[C@@H]1CCCO1 36391907 UHMSFTGFRUNTDG-KRWDZBQOSA-N 312.369 2.456 0 40 DEAB Cn1ccnc1C(=O)N1CCC(Nc2ccccc2F)CC1 75496987 UCZUQBCSSLNTRG-UHFFFAOYSA-N 302.353 2.276 0 40 DEAB CCN([C@@H]1CCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 563490585 KHMXXYHESWXDAY-CYBMUJFWSA-N 323.414 2.005 0 40 DEAB Cn1nc2c(c1CNC(=O)c1ccc(C(F)(F)F)nc1)CCC2 225818041 BCWMQKNOIQBDIT-UHFFFAOYSA-N 324.306 2.253 0 40 DEAB C[C@@H](CCCO)NC(=O)NCCc1ccc(F)cc1Cl 88563164 BQHXQIAIBKXRIX-JTQLQIEISA-N 302.777 2.482 0 40 DEAB COc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)ccc1Cl 195546369 UBHGCVQZFGIGMQ-VUPYVKPUSA-N 315.822 2.330 0 40 DEAB COC(=O)C[C@@H](c1cc(OC)cc(OC)c1)c1c(O)n[nH]c1C 95472145 YELFPAOGBSNROF-ZDUSSCGKSA-N 320.345 2.136 0 40 DEAB CC(C)N1CCC(NCc2ccnc(O[C@H]3CCOC3)c2)CC1 97238368 INMYAZRWNVXFPM-KRWDZBQOSA-N 319.449 2.212 0 40 DEAB C[C@](Br)(C(=O)c1ccccc1F)S(C)(=O)=O 96518603 GGOHNSMTZLEDDV-SNVBAGLBSA-N 309.156 2.164 0 40 DEAB COC[C@@H](O)CNC(=O)Nc1ccc2c(c1)Cc1ccccc1-2 96410594 VZSXWCAHFQIITA-HNNXBMFYSA-N 312.369 2.387 0 40 DEAB CN(C)CCOCc1ncn2c1CN(Cc1cccs1)CC2 96260171 CXPYWJOWWOZRLD-UHFFFAOYSA-N 320.462 2.039 0 40 DEAB C[C@]1(C(=O)Nc2nncs2)CC(c2ccccc2F)=NO1 96192474 XSKLGCLWUHISRF-CYBMUJFWSA-N 306.322 2.199 0 40 DEAB COC[C@@]1(C(=O)O)CCN(Cc2csc(-c3ccoc3)n2)C1 579603319 QAGBTFBHELDOBL-OAHLLOKOSA-N 322.386 2.326 0 40 DEAB CCc1ncc(NS(=O)(=O)Cc2ccc(F)cc2F)cn1 96502845 TZPUFFIJTMKGKY-UHFFFAOYSA-N 313.329 2.259 0 40 DEAB Fc1ccc(CN2CC[C@@]3(C[C@H](n4cnnc4)CO3)C2)cc1 96072869 WHDVPFXQBHJCDM-JKSUJKDBSA-N 302.353 2.023 0 40 DEAB O=C(CCSc1ccccn1)N[C@@H]1c2ccccc2C[C@@H]1O 98018975 OEWQGGCIZIERHP-WMLDXEAASA-N 314.410 2.338 0 40 DEAB COc1ccccc1-n1nc(C(=O)O)c(N2CCCCCC2)n1 256047657 NVUPYTLZSFSACV-UHFFFAOYSA-N 316.361 2.355 0 40 DEAB Cc1ccc2c(C)c(C(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)oc2c1 257260324 LCHWQKVJRTYPLR-UMVBOHGHSA-N 303.358 2.054 0 40 DEAB COc1ccccc1[C@@H]1CN(Cc2ccnc(C)n2)CCN1C 257335467 YKGHLTJHQWFFQK-KRWDZBQOSA-N 312.417 2.282 0 40 DEAB Cc1nc([C@@H]2CCCNC2)ncc1C(=O)NCc1ccccc1 257265608 LZKIMOMESJQCMO-OAHLLOKOSA-N 310.401 2.182 0 40 DEAB CC(C)(C)OC(=O)N1CCO[C@](CC(=O)O)(C(F)(F)F)C1 256052155 MCEDWEYHOWYPGQ-NSHDSACASA-N 313.272 2.030 0 40 DEAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3ccsc3)CCO2)n1 257267244 MGNKWOYKXNXRLN-ZDUSSCGKSA-N 303.387 2.369 0 40 DEAB Cn1nccc1-c1ccc(CNC(=O)Cc2ccsc2)cn1 575620960 WTUHWRSQSBPOLF-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB O=C(C1CCOCC1)N1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 585280040 WYWPOSJCZGBNCK-NVXWUHKLSA-N 321.392 2.004 0 40 DEAB O=C(Cc1ccccn1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585279970 USHGQWGQNGJWJB-SJLPKXTDSA-N 310.397 2.076 0 40 DEAB CNC(=O)C[C@@H]1CN(CCCc2ccccc2)CC[C@H]1OC 585275379 AZOJERMAUQOZCV-IAGOWNOFSA-N 304.434 2.092 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@H]2CCCC[C@H]21 46494756 VHACIQQPCUUYTD-CABCVRRESA-N 317.385 2.170 0 40 DEAB CCCC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccccc1 50497653 ZHRNMCNQQLMXDO-UHFFFAOYSA-N 312.435 2.002 0 40 DEAB C[C@H](OCC1CC1)C(=O)Nc1cccc(-c2nncn2C)c1 68352696 YRNYSSPDUSLSCT-NSHDSACASA-N 300.362 2.236 0 40 DEAB Cc1ccn2cc(C(=O)N3CCC[C@H]3Cn3cccn3)nc2c1 69810810 FXDWDMOAHQHOPX-AWEZNQCLSA-N 309.373 2.144 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H](c3noc(-c4ccccc4)n3)C2)[nH]n1 169750964 WTOPPEUQKFQBAU-CYBMUJFWSA-N 323.356 2.398 0 40 DEAB COc1cccc(CC(=O)N[C@H](C)Cn2nnc3ccccc32)c1 12145023 OYEGHARZBCMFFM-CYBMUJFWSA-N 324.384 2.187 0 40 DEAB CCC(=O)N1CCC(c2nc3ccccc3cc2C(N)=O)CC1 12241429 BNMQWHQCIINPCT-UHFFFAOYSA-N 311.385 2.450 0 40 DEAB Cc1cc(-c2cnc(N(C)C)nc2CN(C)C(=O)C(C)C)on1 12337705 QQXZZKZTHIXDEZ-UHFFFAOYSA-N 317.393 2.120 0 40 DEAB CCN1CCN(C(=O)c2oc3c(c2C)[C@@H](O)CC(C)(C)C3)CC1 16740248 KXQQGZURQVWNQN-ZDUSSCGKSA-N 320.433 2.372 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 18268042 QLDBIMFBXSTJIF-USZNOCQGSA-N 309.243 2.148 0 40 DEAB Fc1cccc(CN2CCc3nc([C@@H]4CCNC4)ncc3C2)c1 19293900 DZUZCDCWTAXGEM-CQSZACIVSA-N 312.392 2.251 0 40 DEAB O=C1N[C@]2(CCc3ccccc31)CCN(C(=O)c1ccccn1)C2 19375211 HIKKCKKCSJXOKO-LJQANCHMSA-N 321.380 2.043 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 169295616 PKVQQARSPCWFPN-ZOWXZIJZSA-N 320.414 2.088 0 40 DEAB O=C(c1cc(-c2ccccc2)on1)N1CC(Cn2ccnc2)C1 1889211593 PFOYGVVOIQVMPE-UHFFFAOYSA-N 308.341 2.310 0 40 DEAB COc1ccccc1CCNC(=O)c1cccc(NC(N)=O)c1 15026168 WPZOZNRKMNAZEH-UHFFFAOYSA-N 313.357 2.158 0 40 DEAB C[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc(F)cc1Cl 28057774 QYHLYYIOZYUDQZ-DTWKUNHWSA-N 307.774 2.277 0 40 DEAB CN(C)c1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cn1 30109246 JXRHHNDQQPQPJJ-UHFFFAOYSA-N 306.410 2.029 0 40 DEAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ncon2)C1 245171724 XSBOEQBARXSOSE-GFCCVEGCSA-N 310.313 2.354 0 40 DEAB Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)nn1C 9001848 WKXVAEHDJJYEJW-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB O=C(NCc1nnnn1-c1ccccc1)Nc1ccccc1F 9615581 CZMNHPPWGWYGPG-UHFFFAOYSA-N 312.308 2.123 0 40 DEAB C[C@H]1CC[C@H](C(=O)N2CC[C@]3(C[C@@H](n4cnnc4)CO3)C2)CC1 2055839569 RNHYWEVFBHIKPZ-ANQUJSFKSA-N 318.421 2.037 0 40 DEAB O=S(=O)(Cc1ccc(Cl)nc1)N[C@@H]1CCCSC1 96452738 CIWXHNZYEYPQJU-SNVBAGLBSA-N 306.840 2.050 0 40 DEAB COCCCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 40123148 CELKLFNEDTYZGE-UHFFFAOYSA-N 304.390 2.290 0 40 DEAB COc1ccc(CNC(=O)c2c(C)nn(C)c2Cl)c(OC)c1 40498871 RGHFJLUORWVWJV-UHFFFAOYSA-N 323.780 2.329 0 40 DEAB Cc1ccccc1S(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1 134792 GCGWWUMSWFCKHC-AWEZNQCLSA-N 319.382 2.489 0 40 DEAB Cc1cccc(C)c1NC(=O)c1cnc2n(c1=O)CCS2 211362 GTEYJXAHHPVMGB-UHFFFAOYSA-N 301.371 2.218 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCCO1)c1cccc(N2CCCC2=O)c1 68653633 YZUBVNPGMKSCPO-IUODEOHRSA-N 302.374 2.170 0 40 DEAB O=C(O)CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 36818725 UNBBFSPPPKOGFN-VIFPVBQESA-N 317.128 2.283 0 40 DEAB in-vitro Cc1cc(C)n2c(SCC(=O)N3CCCCCC3)nnc2n1 804322 ORIONOMSUVXOKN-UHFFFAOYSA-N 319.434 2.236 0 40 DEAB Cc1cc(N2CCOCC2)ccc1NC(=O)C1CCOCC1 32032594 MIJZGSLHVXWPBL-UHFFFAOYSA-N 304.390 2.197 0 40 DEAB Cc1cc(C)n2cc(CN3CCC[C@H]3c3noc(C)n3)nc2n1 75573149 RWRSOBSIKHENAC-AWEZNQCLSA-N 312.377 2.375 0 40 DEAB O=C(Nc1ccccn1)[C@@H]1CSCN1C(=O)C1CCCC1 69696734 QUOHMICOCGHEMD-LBPRGKRZSA-N 305.403 2.112 0 40 DEAB Cc1ccccc1CS(=O)(=O)[C@@H](C)C(=O)NC1CCCC1 32929658 WRJBAPYLLANBRW-ZDUSSCGKSA-N 309.431 2.357 0 40 DEAB Cc1ccc(F)cc1NC(=O)c1ccccc1OCC(N)=O 21742091 QMBZTBKQHIHXOF-UHFFFAOYSA-N 302.305 2.251 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1 52781840 PPNRXPOJFYGYLM-FZMZJTMJSA-N 311.403 2.330 0 40 DEAB CCCC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1 570044 IAADLKVZDRZPPB-UHFFFAOYSA-N 307.419 2.136 0 40 DEAB C[C@H]1CCCN(CCCNC(=O)c2cnn(C(C)(C)C)c2)C1 53154516 IEVCLFQFEVZGRH-AWEZNQCLSA-N 306.454 2.490 0 40 DEAB Cc1nc(CCNC(=O)C[C@H]2C(=O)Nc3ccccc32)cs1 103276424 DZZKLUFFYUAYNK-CYBMUJFWSA-N 315.398 2.236 0 40 DEAB O=S(=O)(Cc1ccccc1)NCCOc1ccc(F)cc1 23143481 IHDAXNOLHLNBIA-UHFFFAOYSA-N 309.362 2.324 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1C 76378833 XZDVWFXOESVXLU-LSDHHAIUSA-N 309.431 2.389 0 40 DEAB Cc1nc(CNS(=O)(=O)c2ccc(F)c(F)c2)cs1 42114380 BSTJFDLMGOXYSU-UHFFFAOYSA-N 304.343 2.208 0 40 DEAB Cc1cc(NC(=O)[C@H](NC[C@@H]2CCOC2)c2ccccc2)no1 42183475 JHMJESNJLWNDPM-XJKSGUPXSA-N 315.373 2.289 0 40 DEAB CC(=O)N1CCCN(C(=O)Nc2nc3ccccc3s2)CC1 22893244 BRKUEDDPULTPNT-UHFFFAOYSA-N 318.402 2.382 0 40 DEAB CCNC(=O)[C@H]1CCN(CCOC)[C@H]1c1ccc(Cl)cc1 105833907 DQPBOCTZDDRXQA-GJZGRUSLSA-N 310.825 2.486 0 40 DEAB C[C@@H]1C[C@@H](C)CN(CCCCNC(=O)Nc2nncs2)C1 47497976 HZAHLTNWWSPCIJ-VXGBXAGGSA-N 311.455 2.418 0 40 DEAB CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccc3c(c1)OCO3)CCO2 107720368 FRPPAUCKLLAPLV-UNEWFSDZSA-N 305.374 2.184 0 40 DEAB CCOc1ccc(/C=C2\SC(=O)N(CCN)C2=O)cc1OC 12504610 IKAJVFJLZRKIQM-LCYFTJDESA-N 322.386 2.089 0 40 DEAB C[C@](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)(C(N)=O)c1ccccc1 107136128 BUCSELBSCHZHSU-WZTLGTBRSA-N 300.402 2.330 0 40 DEAB O=C(c1c(Cl)nc2ccccn12)N1CCO[C@H]2CCC[C@H]21 56195452 KWRCBBQUSZVLFW-MNOVXSKESA-N 305.765 2.381 0 40 DEAB Cc1ccccc1CCNC(=O)c1c(C)oc2nc[nH]c(=O)c12 25716756 YTPZCFGPSVMDAN-UHFFFAOYSA-N 311.341 2.105 0 40 DEAB Cc1ccc(-c2cc3c(=O)n(CCC(=O)O)ccn3n2)cc1C 57352144 YADXTRZNZNCBOI-UHFFFAOYSA-N 311.341 2.255 0 40 DEAB CN1CCC[C@H]1CCN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 119399343 JHRZMWQUTBVALW-CABCVRRESA-N 311.470 2.460 0 40 DEAB Cc1ccc(CN(C)C(=O)CSc2nnc3ccccn23)o1 27213217 OQIARLJGEGWQDS-UHFFFAOYSA-N 316.386 2.381 0 40 DEAB Cc1noc(C)c1NC(=O)CCc1nc(-c2cccnc2)no1 58015976 MMPPENQSCCDVLU-UHFFFAOYSA-N 313.317 2.308 0 40 DEAB Cc1csc(=O)n1CCC(=O)N1CCC[C@@H](C(F)(F)F)C1 44874930 SAWCQIURNPGEPR-SNVBAGLBSA-N 322.352 2.409 0 40 DEAB O=C(c1cc2ccccc2oc1=O)N1CCCN(C2CC2)CC1 58264761 HTZFLZUKYZOFDY-UHFFFAOYSA-N 312.369 2.103 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c1 58218940 RJOQFJBLFQBNDQ-ZDUSSCGKSA-N 304.390 2.077 0 40 DEAB COc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1 12793976 WYGFXTUMIBGIJU-UHFFFAOYSA-N 302.330 2.437 0 40 DEAB C[C@@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)[C@@H]1CCCO1 44910407 XPJIITYFEKWMIS-OCCSQVGLSA-N 320.389 2.167 0 40 DEAB CC(C)c1noc(CN(CCC2CCCCC2)CC(N)=O)n1 58406069 IIEZOMMGLFNKIJ-UHFFFAOYSA-N 308.426 2.451 0 40 DEAB CC1(C)NC(=O)N(CCN(Cc2ccco2)C2CCCC2)C1=O 48285639 AXUFMQHFNBQJRN-UHFFFAOYSA-N 319.405 2.355 0 40 DEAB Cc1ccc(CCC(=O)NCCN2CCOCC2)cc1Cl 36686281 NXJNQFAYCLWKKD-UHFFFAOYSA-N 310.825 2.029 0 40 DEAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cnn(C)c2)cc1 12851703 ACTFCGDCLJDKOH-NSHDSACASA-N 302.330 2.247 0 40 DEAB CN(Cc1ccsc1)C(=O)Cn1c(=O)cnc2ccccc21 12914466 QFTQIEJMOFTHMI-UHFFFAOYSA-N 313.382 2.117 0 40 DEAB COC(=O)c1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12996206 PJHBHDISWMVNLY-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)COc2ccc(F)cc2Cl)C1 62913487 NUOWDRMHKJNKAR-AWEZNQCLSA-N 315.728 2.181 0 40 DEAB O=C(COc1ccc(C(=O)O)cc1)NCCc1cccs1 13413541 OYRFSFCXPOJISW-UHFFFAOYSA-N 305.355 2.184 0 40 DEAB COc1cc2cc(C(=O)n3ccnc3)n(C)c2c(OC)c1OC 13691040 MOEYWUZZAPNOGG-UHFFFAOYSA-N 315.329 2.089 0 40 DEAB CC(C)(C)NC(=O)CNC(=O)CSc1ccc(F)cc1F 8985064 YBFTWMGHGQUPJV-UHFFFAOYSA-N 316.373 2.088 0 40 DEAB CC(=O)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 39921342 WKABBRKRSJWZQX-IBGZPJMESA-N 309.365 2.443 0 40 DEAB CCN1C(=O)N/C(=C/c2ccc(O)c(Br)c2)C1=O 4472498 RWJBRWYBWWXNSF-RMKNXTFCSA-N 311.135 2.067 0 40 DEAB O=C(c1ccccc1)C1CCN(C(=O)c2cnsn2)CC1 65523719 AFZJLNZHDLPYEM-UHFFFAOYSA-N 301.371 2.273 0 40 DEAB CCn1cnnc1C1CCN(C(=O)CSC(F)(F)F)CC1 69893222 BNTBEAUZRLAAGS-UHFFFAOYSA-N 322.356 2.257 0 40 DEAB OC1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 69593121 YYMXQXLNBWYMFA-UHFFFAOYSA-N 318.398 2.496 0 40 DEAB C[C@H](O)CNc1nc2sc3c(c2c2ncnn12)C[C@@H](C)CC3 5533542 PZIISRJUNXHHKX-IUCAKERBSA-N 317.418 2.257 0 40 DEAB O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCOCC1 6806945 AJNJSBUFKQGTGJ-UHFFFAOYSA-N 322.368 2.135 0 40 DEAB CN(Cc1cc(=O)n(C)c(=O)n1C)c1ccc(C(C)(C)C)cc1 59932174 YKKZGVMAABNMMI-UHFFFAOYSA-N 315.417 2.018 0 40 DEAB COCCn1nc(C)c(NC(=O)NCc2ncccc2C)c1C 90147791 CHNFBSSJRUVJDL-UHFFFAOYSA-N 317.393 2.171 0 40 DEAB COCCN(Cc1ccccc1)S(=O)(=O)c1c(C)noc1C 7216253 HZDABZBSOLGRBM-UHFFFAOYSA-N 324.402 2.129 0 40 DEAB Cc1nnc(C(=O)NCCCc2nc3ccc(C)c(C)c3[nH]2)o1 67605825 ZBKYYMAYTFFTTI-UHFFFAOYSA-N 313.361 2.234 0 40 DEAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)Nc1ccccc1 8981424 JAXPIEYAEVRNEH-LLVKDONJSA-N 304.375 2.387 0 40 DEAB COc1ccc(OC)c(C(=O)COc2ccc(C(N)=O)cc2)c1 7410726 NGIORXXIDGLTIC-UHFFFAOYSA-N 315.325 2.064 0 40 DEAB Cc1ccc(C)c(-n2ncc3c(N4CCN(C)CC4)ncnc32)c1 15880894 CCBSKWKAHRRBKK-UHFFFAOYSA-N 322.416 2.184 0 40 DEAB O=C1c2ccc(Br)cc2C(=O)N1CN1CCCCC1 19228475 SERAZOUPWGUUPI-UHFFFAOYSA-N 323.190 2.489 0 40 DEAB COc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(C3CC3)CC2)c1 83973261 LESZWOVBSINWMF-DLBZAZTESA-N 300.402 2.105 0 40 DEAB COc1ccc2nc(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)ccc2c1 78894626 WQUROYOMUVGSLQ-SJCJKPOMSA-N 313.401 2.266 0 40 DEAB O=C(NCCn1c(=O)oc2ccccc21)NCc1ccsc1 72270071 SKOHVEBVWSEXBY-UHFFFAOYSA-N 317.370 2.155 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccc(N3CCSCC3)cc2)CCO1 72295154 QLLSKWOOLMEUIB-CYBMUJFWSA-N 321.446 2.492 0 40 DEAB Cc1noc(C)c1C[S@@](=O)[C@@H](C)C(=O)NCc1ccccc1 71858914 DQGOCTZWEZNPLB-XMHCIUCPSA-N 320.414 2.245 0 40 DEAB Cc1cc(C(=O)NC2(C(=O)O)CCCCC2)c2c(C)noc2n1 71802790 CNRRWXNEJUTCLG-UHFFFAOYSA-N 317.345 2.357 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3ccccc23)CC(C)(C)O1 71831133 SRKWJNOZOBUMTD-LLVKDONJSA-N 300.358 2.168 0 40 DEAB CSCCc1ccc(NC(=O)N[C@@H](C)Cn2cncn2)cc1 72281307 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2.112 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)[C@H]1CCCc2ccccc21 96442181 PPTIFLKKXQBIEX-ZFWWWQNUSA-N 302.374 2.193 0 40 DEAB C[C@H](CCc1cccn1C)NC(=O)Nc1nnc2ccccn12 96434689 FMKNDOICVYCZGS-GFCCVEGCSA-N 312.377 2.211 0 40 DEAB Cc1nnc(N2C[C@@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)s1 96042444 DDKJREFFJFTFHB-MCIONIFRSA-N 318.402 2.057 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1cccnc1)CC2 96197778 ASHZDLMAVIZJRV-KRWDZBQOSA-N 312.417 2.341 0 40 DEAB CO[C@@H]1CCN(C(=O)c2cnc(C)cn2)[C@H]1Cc1ccccc1 96261252 PQNNRZKFOZRMIC-DLBZAZTESA-N 311.385 2.257 0 40 DEAB CC(C)c1ccc(C(=O)N2CC[C@H](c3ccn[nH]3)C2)c(O)n1 257336929 YQPLRZPDYRIDLC-NSHDSACASA-N 300.362 2.263 0 40 DEAB CCCCc1nc(CN2CCOC[C@H]2c2nc(C)c[nH]2)c[nH]1 257320398 VWQBLDGKIIMREI-AWEZNQCLSA-N 303.410 2.357 0 40 DEAB Cc1nsc2ncn(C[C@H](O)c3c(F)cccc3F)c(=O)c12 252492096 MCNXJDKRBCONIM-JTQLQIEISA-N 323.324 2.173 0 40 DEAB COc1ccccc1C(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 257283492 OYOPJBLBRHNFAL-YJBOKZPZSA-N 316.401 2.359 0 40 DEAB 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Cc1cc(C)nc(NC2CCN(C(=O)c3ccco3)CC2)n1 43534167 IAHNCEDIHSNWSX-UHFFFAOYSA-N 300.362 2.403 0 40 DEAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NCc1cccnc1)[C@H]2C(=O)O 100544142 WYAPBKMAHCVPIV-XOUADPBQSA-N 312.369 2.167 0 40 DEAB CN1C[C@@H](NC(=O)N[C@@H]2CCc3cc(Cl)ccc32)CCC1=O 76018454 CEYHJOMZRQINKU-GXTWGEPZSA-N 321.808 2.247 0 40 DEAB Cc1cc(C(=O)Nc2cc(C3CC3)n[nH]2)c2c(C)nn(C)c2n1 58166424 HGBUJDNYDOHZRN-UHFFFAOYSA-N 310.361 2.438 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)CCn2ccnc2)c1 58265118 HYOBYBGNSIQSBW-LBPRGKRZSA-N 303.362 2.168 0 40 DEAB CC(=O)N1CCN(C(=O)CCOc2ccc(C(C)C)cc2)CC1 58328788 BQGIFTJUHXWTHL-UHFFFAOYSA-N 318.417 2.270 0 40 DEAB CC(C)COc1ccccc1NC(=O)NCC(=O)N1CCCC1 48117937 RJJYXGCSADJEAB-UHFFFAOYSA-N 319.405 2.465 0 40 DEAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)[C@H]1CCCO1 48172359 ZQKPFLJTYNAVFP-GXTWGEPZSA-N 304.394 2.371 0 40 DEAB COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)O)c2)cc1 3310465 GKVMEUQZSGJOCI-UHFFFAOYSA-N 321.354 2.219 0 40 DEAB CCN(CC)CCCNC(=O)CSc1nc(C)cc(C)n1 3378627 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8199134 XHQUOQRWVJADGQ-UHFFFAOYSA-N 304.346 2.367 0 40 DEAB Cc1csc(CCNC(=O)N=c2[nH]c3ccccc3[nH]2)n1 69138131 BDDWJBUQFCCYQF-UHFFFAOYSA-N 301.375 2.114 0 40 DEAB COC(=O)c1nc(Br)cc(Br)c1OC 91301988 JVYFGOKHFWBMEF-UHFFFAOYSA-N 324.956 2.402 0 40 DEAB NC(=O)CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCCC1 65491511 RUNZFQNUSFDKTE-CABCVRRESA-N 304.365 2.186 0 40 DEAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)N2CCCCCC2)c1 8259466 GKBUOKBKOCWHLY-GFCCVEGCSA-N 306.362 2.165 0 40 DEAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 65594248 KFINILCINBGEQA-LBPRGKRZSA-N 313.361 2.292 0 40 DEAB CCNC(=O)c1cccc(C)c1OCC(=O)N[C@@H](C)C1CC1 65566268 ICQPVORAYYUKOF-LBPRGKRZSA-N 304.390 2.038 0 40 DEAB Cn1cnn(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=S 65515116 UJOSFJFJOFDRBW-GFCCVEGCSA-N 318.402 2.474 0 40 DEAB CCc1n[nH]c(SCc2nnnn2-c2cc(C)ccc2F)n1 69420674 WXCVWAIOBJDCJF-UHFFFAOYSA-N 319.369 2.083 0 40 DEAB CC(C)NC(=O)CSc1nnc(NCc2ccco2)s1 7161709 PZLYPOLVQUTFGN-UHFFFAOYSA-N 312.420 2.360 0 40 DEAB CCN1CCN(c2ccc(NC(=O)c3cccn3C)cc2)CC1 9368488 UXBDFPWPGWFSFH-UHFFFAOYSA-N 312.417 2.419 0 40 DEAB O=C(OCCn1cc(Br)ccc1=O)C1=CCCC1 97034400 QIFWYBVRSRRXBK-UHFFFAOYSA-N 312.163 2.264 0 40 DEAB COc1ccc(O[C@@H](C)C(=O)NC2(C(=O)O)CCCCC2)cc1 71802787 CLIZQERCBJKVGL-LBPRGKRZSA-N 321.373 2.366 0 40 DEAB O=C(Nc1cc(F)ccc1-n1cccn1)N1CCC[C@@H](O)C1 71883774 IJBASYZRAUZBBJ-GFCCVEGCSA-N 304.325 2.000 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(Cc2cscn2)CC1 71836500 QWTODRHFPIBCMA-KBPBESRZSA-N 317.414 2.184 0 40 DEAB Cc1nc(NS(=O)(=O)c2cn(C(C)C)cn2)cc(C2CC2)n1 97165118 FWAGPSNLVDOEFB-UHFFFAOYSA-N 321.406 2.241 0 40 DEAB CCCc1nnc(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)s1 97112862 CAJWRARHRNMEOI-VIFPVBQESA-N 321.410 2.368 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)c3ccnc(N(C)C)c3)C2)n[nH]1 78902243 XRMCJUAFJIMCBH-AWEZNQCLSA-N 313.405 2.199 0 40 DEAB COc1cc(NC(=O)CCc2cc(OC)no2)cc(OC)c1 79486613 UHBGFIGYJSECIC-UHFFFAOYSA-N 306.318 2.272 0 40 DEAB COc1ccc(CCNC(=O)CCc2nc3ncccc3[nH]2)cc1 79502343 XJTIJIWDVWLQRY-UHFFFAOYSA-N 324.384 2.258 0 40 DEAB CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cccn1C 95434670 JDYLBJOGJDAWSS-ZDUSSCGKSA-N 320.414 2.007 0 40 DEAB CS[C@H]1CC[C@H](NC(=O)NCc2cccc(N(C)C)n2)C1 95437605 CRDMICHCRUKLGA-AAEUAGOBSA-N 308.451 2.231 0 40 DEAB C[C@@H](O)CCN(C)C(=O)c1ccc(N2CCCCC2=O)cc1 75092854 MATHKYUMVSXTAM-CYBMUJFWSA-N 304.390 2.046 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cs2)C1 41128406 LPJCSQZBMXBVBD-GFCCVEGCSA-N 300.383 2.363 0 40 DEAB C[C@H]1NC(=S)N(Cc2ccnc(OC3CCCCC3)c2)C1=O 69326450 DLCGVKKLEBCWJZ-LLVKDONJSA-N 319.430 2.398 0 40 DEAB O=C(NCCCn1ncc2c(Cl)cccc21)[C@@H]1CCCO1 71196106 DMSIFDPLLFMVFO-AWEZNQCLSA-N 307.781 2.375 0 40 DEAB O=C(NC[C@@H]1CCCNC1)c1c(F)cccc1Br 122411913 RUIXTVLRCUSARJ-SECBINFHSA-N 315.186 2.318 0 40 DEAB CC[C@H]1c2ccsc2CCN1S(=O)(=O)c1cn(C)cn1 72351121 HSHYJSNWGOXRRC-NSHDSACASA-N 311.432 2.180 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@H]2CCCC[C@H]2C(=O)O)c1C 36610978 ITXUUXXQPFGPNN-UONOGXRCSA-N 321.421 2.369 0 40 DEAB O=C1Nc2ccccc2CC[C@H]1Sc1ncnc2nc[nH]c12 31808865 CJUOHORNBIXNBG-LLVKDONJSA-N 311.370 2.399 0 40 DEAB C[C@@H](CO)[C@@H](C)NC(=O)Nc1cc(F)c(N(C)C)c(F)c1 77690493 COELCFDSBFFEJV-DTWKUNHWSA-N 301.337 2.169 0 40 DEAB CCN(C[C@@H]1CCCN(CCN)C1)C(=O)OCc1ccccc1 79411608 PVSYACXGHKRIOH-QGZVFWFLSA-N 319.449 2.316 0 40 DEAB COCCOc1cccc(NC(=O)N[C@@]23C[C@H]2COC3(C)C)c1 528925553 YKHLYLBMFKCDDU-SJCJKPOMSA-N 320.389 2.401 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 226629116 MDTWGIKGLITWIA-ZBURPKILSA-N 323.348 2.169 0 40 DEAB Cc1c(C(=O)NC[C@@H](O)C2CCCC2)c(=O)oc2ccccc12 85526389 WUCGFQCTTCZBDE-CQSZACIVSA-N 315.369 2.382 0 40 DEAB CCCNC(=O)Cn1ccc(=O)c2cc(Br)ccc21 225725898 MGNLQFIPZADGSE-UHFFFAOYSA-N 323.190 2.290 0 40 DEAB Cn1cc(NC(=O)CCCOc2nn(C)c3ccccc23)cn1 226865344 OYKRWUAGEVEBOF-UHFFFAOYSA-N 313.361 2.105 0 40 DEAB Cc1ccc(/C=C/CC(=O)N2CCS(=O)(=O)C[C@@H]2C)cc1 84768228 NSCMPDPTKUCNMV-XGACYXMMSA-N 307.415 2.044 0 40 DEAB CSc1ncccc1C(=O)N1CCC2(CC1)OCCS2 77187212 LYSAAHRYQUYIRP-UHFFFAOYSA-N 310.444 2.499 0 40 DEAB Cn1cccc1C(=O)N1C[C@@H]2CN(Cc3cccs3)C[C@@H]2C1 96161557 LKQLTEWFTNOOEZ-OKILXGFUSA-N 315.442 2.291 0 40 DEAB C[C@@](O)(CNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccs1 96437294 CLXVHDYRJZKLON-XJKSGUPXSA-N 321.373 2.215 0 40 DEAB O=C1C[C@]2(CCCCN2C(=O)C2CCC2)CN1c1cccnc1 96071732 QKSZMFHTEJOIDO-GOSISDBHSA-N 313.401 2.370 0 40 DEAB CCN(C(=O)c1ccc2nnc([C@H]3CCN(C)C3)n2c1)C(C)C 96156121 YLYGDAZBNFVLGA-ZDUSSCGKSA-N 315.421 2.019 0 40 DEAB O=C(/C=C/C1CCCCC1)NCCC(=O)NCc1cccnc1 96410065 CXDKUTKCAVEGIY-CMDGGOBGSA-N 315.417 2.341 0 40 DEAB O=C(c1ccccc1)N1C[C@@H]2COC[C@]2(COc2cccnc2)C1 96108837 XTUQZEIQGRYHMK-APWZRJJASA-N 324.380 2.249 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@H]1CCOc2ccccc21 245305040 HTGBTFRTSVXSDE-FRFSOERESA-N 323.458 2.498 0 40 DEAB NC(=O)c1cnc([C@@H]2CCCCN2Cc2cncs2)s1 257216825 CWFXYJXZWHEYMN-JTQLQIEISA-N 308.432 2.426 0 40 DEAB NCc1cnn(-c2ccccc2C(=O)NCc2ccc(F)cc2)c1 257317139 VINRANUWJIFEHM-UHFFFAOYSA-N 324.359 2.400 0 40 DEAB CC(=O)N1CC[C@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1 257328928 XHQQPMLBLNYWQJ-CQSZACIVSA-N 313.405 2.332 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCO[C@H](c2ccncc2)C1 257239985 HRQHGPPZUQRELU-INIZCTEOSA-N 308.341 2.172 0 40 DEAB CO[C@H]1CCCOC12CCN(C(=O)Cc1csc(C)n1)CC2 257227368 FOYQMGGWWIUYQQ-AWEZNQCLSA-N 324.446 2.181 0 40 DEAB CC(C)(C)C(=O)N1CCC(C)(c2ncc(C(N)=O)s2)CC1 257278622 OCYSGXWOPYQNFK-UHFFFAOYSA-N 309.435 2.168 0 40 DEAB COc1ccc2c(c1)CCCCN2C(=O)[C@@H]1CCCCC(=O)N1 279803278 SVAPWPTVIJZBJK-HNNXBMFYSA-N 316.401 2.423 0 40 DEAB O=C(CCF)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575402347 AYXBZZQCBMNSBA-SNVBAGLBSA-N 314.357 2.046 0 40 DEAB O=C(c1ccccc1Br)N1CC(N2CCCC2)C1 697773389 CXNHAAJLOCELNM-UHFFFAOYSA-N 309.207 2.369 0 40 DEAB CCn1ccnc1CN1CCN(CCc2ccccn2)C[C@@H]1C 69493193 DIBAMQOYSQNGMH-INIZCTEOSA-N 313.449 2.047 0 40 DEAB CC[C@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 85820289 MDRJNUURNUJDFF-GJZGRUSLSA-N 302.484 2.170 0 40 DEAB CC(C)(C)c1ncc(CNC[C@H]2CCCS2(=O)=O)s1 89761518 WCTXOHKZNVOKJO-LLVKDONJSA-N 302.465 2.107 0 40 DEAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1ccccc1)C2 12666460 FCWQSOXJHRSOKR-UHFFFAOYSA-N 318.380 2.390 0 40 DEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O 12909905 ZMLDTXRACVBEPP-CHWSQXEVSA-N 318.348 2.248 0 40 DEAB C[C@H]1CN(C[C@H](O)COc2ccc3c(c2)CCC3)C[C@@H](C)O1 17246981 HHFPWAVYGXNLFM-VBQJREDUSA-N 305.418 2.024 0 40 DEAB CC[C@@H](NC(=O)Cc1nnn(C(C)C)n1)c1ccc(OC)cc1 19500491 PIVZOHVZVRPNPL-CQSZACIVSA-N 317.393 2.073 0 40 DEAB O=C(CCc1ccc(F)cc1)N1CC(C(=O)N2CCCCC2)C1 19748644 IZLRYHIZSHXJLH-UHFFFAOYSA-N 318.392 2.229 0 40 DEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CNC(C)(C)C 14250046 KEGKEEZSRXSOAD-UHFFFAOYSA-N 305.422 2.088 0 40 DEAB Cc1nc(C)c(CC(=O)N(Cc2cccs2)C2CC2)c(=O)[nH]1 31286446 XCIZIAFWOFTDDF-UHFFFAOYSA-N 317.414 2.182 0 40 DEAB Cc1ccc(C(=O)c2ccc(CC(=O)O[C@@H](C)C(=O)O)[nH]2)cc1 2060999982 KCSDISBODWNQPJ-NSHDSACASA-N 315.325 2.113 0 40 DEAB FCC1CCN(c2ncnc3c2nnn3-c2ccccc2)CC1 2087043983 WKELOTFAAIIQGB-UHFFFAOYSA-N 312.352 2.396 0 40 DEAB COc1ccc(C(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)c(OC)c1 1565551963 XVYNNQSXODEXIY-HUBLWGQQSA-N 305.374 2.343 0 40 DEAB O=C(N1Cc2[nH]nc(COc3cccnc3)c2C1)C1(F)CCC1 1565546578 ABSZSHRJWQSRST-UHFFFAOYSA-N 316.336 2.118 0 40 DEAB CCC(=O)N1CCC(Nc2ccccc2)(C(=O)NC(C)C)CC1 2055756347 FTAFUAJJHLIZLG-UHFFFAOYSA-N 317.433 2.394 0 40 DEAB O=C(/C=C/c1ccco1)NCc1cn(-c2cccs2)nn1 575614992 BCRBNMIJNMUICO-AATRIKPKSA-N 300.343 2.251 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)NCCc1ccc(Cl)cc1 585149724 KKGJFVJQIJQSFZ-KGLIPLIRSA-N 322.836 2.407 0 40 DEAB O=C(O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 4671156 SGSFDZFGKIKSNA-AWEZNQCLSA-N 305.355 2.181 0 40 DEAB CCOCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 50080680 LALSIODNJIEQHP-KBPBESRZSA-N 321.421 2.458 0 40 DEAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N2CCCCCC2)c1 8259465 GKBUOKBKOCWHLY-LBPRGKRZSA-N 306.362 2.165 0 40 DEAB COc1ccc2[nH]c3c(=O)n(Cc4cccnc4)cnc3c2c1 500060 LAFXCTXCKQJFFL-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB C[C@@H]1CCCCN1CC(=O)N1CCN(c2ccccc2)CC1 806699 LUAGHFHLRIJNDM-MRXNPFEDSA-N 301.434 2.210 0 40 DEAB CC(C)C[C@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1 1381007 PUEJQRBGQSWHSV-OCCSQVGLSA-N 309.362 2.146 0 40 DEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccco2)c1 3619487 WFJDYLMVHRCTSD-UHFFFAOYSA-N 305.286 2.092 0 40 DEAB O=C(Nc1nnc(C2=COCCO2)o1)c1cccc(Cl)c1 4264488 WEJPHKODMAWKIN-UHFFFAOYSA-N 307.693 2.321 0 40 DEAB Cc1ccc(C2=NO[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)cc1 101510221 AZNFKUXQCBNRFP-GOEBONIOSA-N 306.321 2.288 0 40 DEAB CN(CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1F 60374341 YJEWULOVDJAADZ-UHFFFAOYSA-N 319.361 2.475 0 40 DEAB Cc1ccc([C@H](C)n2cc(C(=O)NC[C@H]3CCCO3)nn2)cc1 4504552 JSQDBGORPFZZBT-DZGCQCFKSA-N 314.389 2.105 0 40 DEAB CCc1n(C[C@H](O)COc2ccccc2)c2ccccc2[n+]1C 6135523 QNVPGWZVNOZKPJ-HNNXBMFYSA-N 311.405 2.468 0 40 DEAB CN1C(=O)N/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 6949637 KEBIQQIAVDAAQJ-JXMROGBWSA-N 324.178 2.038 0 40 DEAB CN(C)CCNC(=S)Nc1ccc(Br)cc1F 7571244 VJYXCTKFZZOLNS-UHFFFAOYSA-N 320.231 2.436 0 40 DEAB O=C(NCCc1ccco1)c1ccc(CN2CCCC2=O)cc1 32736329 PRJYYYLYXKWFLO-UHFFFAOYSA-N 312.369 2.375 0 40 DEAB O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1cccnc1 29899704 HQYBXKQTOMERFK-HNNXBMFYSA-N 309.369 2.289 0 40 DEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1cccnc1 8716922 CNJGETZCUDBNHM-AWEZNQCLSA-N 313.382 2.201 0 40 DEAB Cc1cnc(C(=O)NCc2cccnc2OC2CCCC2)cn1 32915190 OQXJZXWOZKTJGB-UHFFFAOYSA-N 312.373 2.431 0 40 DEAB Cc1noc(C)c1COC(=O)C[C@H](NC(N)=O)c1ccccc1 21755271 DBMJVFRJSUPNNW-AWEZNQCLSA-N 317.345 2.134 0 40 DEAB Cc1nc(CCNC(=O)c2cc(=O)[nH]c3ccccc23)cs1 22761630 QGSOAIBUADVLBA-UHFFFAOYSA-N 313.382 2.266 0 40 DEAB CCc1nnsc1C(=O)Nc1ccc(N2CCCC2)cn1 23137742 FWUXDCDIHVSRDJ-UHFFFAOYSA-N 303.391 2.348 0 40 DEAB NC(=O)[C@H]1CCCN(c2ncc(C(F)(F)F)cc2Cl)C1 23103955 PGSBJKOJDDFKKM-ZETCQYMHSA-N 307.703 2.456 0 40 DEAB CC(C)(CNC(=O)N[C@H]1CCCCNC1=O)c1ccc(F)cc1 69704563 LDESFIZATLNEQB-AWEZNQCLSA-N 321.396 2.071 0 40 DEAB O=C(NCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 108670431 SRAIQTGXTUOBNR-QGZVFWFLSA-N 323.396 2.250 0 40 DEAB CC(C)CC[C@H](C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 57728149 JDUZZVREUWWPGR-LBPRGKRZSA-N 311.426 2.038 0 40 DEAB CCCCOc1ncccc1CNC(=O)NC[C@@H]1CCCOC1 58172564 OQFMBSKKHAWVCN-AWEZNQCLSA-N 321.421 2.486 0 40 DEAB Cc1noc(NC(=O)CSc2nccn2-c2ccccc2)n1 58159526 VVLFJOXSIHUACZ-UHFFFAOYSA-N 315.358 2.295 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCCO3)cn2)n1 27907369 AQUBIYKLLYTVNS-DZGCQCFKSA-N 314.389 2.181 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC(CN)CC1 36296761 JLVUCMGDQJJUDZ-UHFFFAOYSA-N 302.827 2.008 0 40 DEAB Cc1nnc([C@@H](C)OC(=O)/C=C/c2c(C)nn(C)c2Cl)o1 48290401 QJEVEGMTWZNPPZ-HQZHTGGTSA-N 310.741 2.391 0 40 DEAB O=C(NCCCn1cncn1)NC[C@H]1CCCc2ccccc21 48342338 RJIAHVIXKQNCMY-OAHLLOKOSA-N 313.405 2.088 0 40 DEAB O=C(NCCc1nnc2n1CCCCC2)c1ccc(F)cc1 48313977 LHRGGMJSSRGKQI-UHFFFAOYSA-N 302.353 2.116 0 40 DEAB CC[C@@H](C)n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3410463 DIFGGBSBFOQVRX-ZJUUUORDSA-N 305.403 2.333 0 40 DEAB Cc1ccc(CNC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3577869 PJUSPYIKSAZDOQ-UHFFFAOYSA-N 307.353 2.172 0 40 DEAB CCOCCNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O 69563066 ARHOGKMSFWFVKI-UHFFFAOYSA-N 305.378 2.144 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccccc2F)nc1 69531017 HSKFDDLEBJWBFC-UHFFFAOYSA-N 301.321 2.240 0 40 DEAB C[C@@H](NC(=O)CC1CCCCC1)C(=O)NC[C@@H](C)N1CCCC1 69530594 NEUCTXQGLSEBNE-HUUCEWRRSA-N 323.481 2.062 0 40 DEAB C[C@H]1C[C@@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)C(=O)O1 9218214 LMLDQOYYZGEETJ-WRWORJQWSA-N 320.326 2.261 0 40 DEAB Nc1nc(Cn2c(-c3ccccc3)noc2=O)nc2ccccc12 64369114 PQLCPHQEFBJNMD-UHFFFAOYSA-N 319.324 2.077 0 40 DEAB CC(C)(NCC(=O)NC[C@@H]1CCOC1)c1ccc(Cl)cc1 69924742 XCSIHFCTKYGRNZ-LBPRGKRZSA-N 310.825 2.317 0 40 DEAB COc1cc(Cl)ccc1C(=O)N[C@H](C(N)=O)c1ccccc1 65609453 RPQYGJWWHZKUEJ-AWEZNQCLSA-N 318.760 2.305 0 40 DEAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@@H](C)COC)cc1 14249625 RBYLPWMOFMIOKQ-WMLDXEAASA-N 320.433 2.373 0 40 DEAB CCCn1c(CCNC(=O)CC[C@@H](C)O)nc2ccccc21 7546427 DRRSEVKWTJSYSX-CYBMUJFWSA-N 303.406 2.266 0 40 DEAB Cc1csc(SCC(=O)Nc2ccccc2C(N)=O)n1 9114411 LTYADTSEFOTRTG-UHFFFAOYSA-N 307.400 2.281 0 40 DEAB CCc1nn(C)cc1NC(=O)c1ccc2c(c1)CCN2C(C)=O 91155661 OYBXHWCYZKBZHI-UHFFFAOYSA-N 312.373 2.144 0 40 DEAB CCOc1cc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC 89990990 PTFPFEDLYGUAOF-CJNGLKHVSA-N 320.433 2.440 0 40 DEAB O=C1[C@H](n2cnc(-c3ccccc3)n2)CCN1CC(F)(F)F 96410900 VPBZUTXZAPQRHI-LLVKDONJSA-N 310.279 2.281 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C1CCCCC1 71818171 HUUANIGGYKJHEQ-DZGCQCFKSA-N 313.463 2.383 0 40 DEAB Cc1c(C(=O)N2CCC[C@@H](CO)C2)cnn1-c1ccccc1F 84045032 JCSUSMAJBWNVEH-CYBMUJFWSA-N 317.364 2.164 0 40 DEAB COC[C@@H]1CN(C(=O)NCc2cccc3ccccc23)CCO1 76085723 GBRNEOVZRQIEMP-INIZCTEOSA-N 314.385 2.397 0 40 DEAB C[C@@H]1CN([C@@H](CNC2CCOCC2)c2cccs2)CCO1 72298329 JOFKNPRKXRAYTQ-HIFRSBDPSA-N 310.463 2.279 0 40 DEAB Cc1ccc(C[C@H](CNC(=O)c2c(C)n[nH]c2C)C(=O)O)cc1 97053571 MULIKCKGOAHZFI-CQSZACIVSA-N 315.373 2.008 0 40 DEAB CC[C@H]1c2cccn2CCN1C(=O)c1ccc(C(=O)OC)nc1 97084885 YXIFVJKVKAXWFP-AWEZNQCLSA-N 313.357 2.277 0 40 DEAB Cc1cccc(OCCC(=O)N[C@H]2CCc3nccn3C2)c1C 97197423 XQQMTOGVHKKMPC-HNNXBMFYSA-N 313.401 2.400 0 40 DEAB Cc1cccc2[nH]c(CNC(=O)N3CCC[C@@H]3C(C)(C)O)nc12 97114745 GQWSCMHUSPQRGA-CYBMUJFWSA-N 316.405 2.316 0 40 DEAB O=C(NCCNC(=O)N1CCC[C@H]2CCC[C@H]21)c1ccccc1 76085278 HWBWZVOXJFWUPD-GDBMZVCRSA-N 315.417 2.391 0 40 DEAB CCOc1cccc(CNC(=O)C[S@@](=O)C2CCCC2)c1 95417734 ZAARBIZLUPCVLP-NRFANRHFSA-N 309.431 2.393 0 40 DEAB Cc1cccc(C)c1OCC(=O)N1CC[C@@](O)(C(F)(F)F)C1 98013056 MIHMHDUFLUSGPJ-AWEZNQCLSA-N 317.307 2.208 0 40 DEAB CC(=O)Nc1nc(C(=O)N2c3ccnn3[C@@H](C)C[C@H]2C)cs1 78877038 HEUUYUKHRYGYTQ-BDAKNGLRSA-N 319.390 2.298 0 40 DEAB C[C@@H](CNC(=O)NCC1C2CC3CC(C2)CC1C3)[S@](C)=O 95978254 GKOMCEZLWOGINP-BDUPASNYSA-N 312.479 2.125 0 40 DEAB CCC(CC)S(=O)(=O)NC(=O)c1ccc(-n2ccnc2)cc1 95987689 BROPMYFCRQQRSG-UHFFFAOYSA-N 321.402 2.121 0 40 DEAB CCc1noc(CC)c1CNC(=O)CCOC[C@@H]1CCCO1 79070165 ISBZCDYRZZLRNQ-LBPRGKRZSA-N 310.394 2.001 0 40 DEAB O=C(O)C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)COC3)C1 517534666 HMLGSHJPVQFJKK-CYBMUJFWSA-N 318.373 2.113 0 40 DEAB O=C(OCc1ccccc1)N(C1CC1)C1CCN(CCO)CC1 79411272 KBSJYSDJZSAVDO-UHFFFAOYSA-N 318.417 2.244 0 40 DEAB CCOCCCNC(=O)c1cc(C)nc(N2CCCCCC2)n1 72241493 GQAAWFBSJUYCHU-UHFFFAOYSA-N 320.437 2.322 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32967618 GCCBYRHUBGRFKG-ZDUSSCGKSA-N 324.446 2.002 0 40 DEAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2C)cc1C 32508743 KAUQUTQYGRLLGE-ZIAGYGMSSA-N 324.471 2.004 0 40 DEAB C[C@H]1CN2CCC[C@H]2CN1Cc1cnc(N2CCCCC2)nc1 72324576 VGTHMCIEADFXIZ-RDJZCZTQSA-N 315.465 2.135 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1/C=C/c1ccccc1 33669117 YHXCGSKXQOACAT-LNXLJYEQSA-N 314.381 2.450 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1ccc(N2CCCC2)c(F)c1 74689059 UPIKTEAUQCVOFI-LLVKDONJSA-N 308.353 2.107 0 40 DEAB CC(C)N1C[C@H](c2nc(COc3ccccc3)no2)CC1=O 78773726 YZAYNDAFUVCUGP-GFCCVEGCSA-N 301.346 2.373 0 40 DEAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CCN)C1 79411572 AHPMNZWTROIHIK-MRXNPFEDSA-N 305.422 2.068 0 40 DEAB Cc1cccc(C2(C(=O)Nc3cnn(CCN(C)C)c3)CC2)c1 61638111 AGCDVHPPTAJPJB-UHFFFAOYSA-N 312.417 2.423 0 40 DEAB CCOC(=O)c1cnc(NCCc2ccc(F)cn2)nc1C 521398488 JVSCORHFYIHQLQ-UHFFFAOYSA-N 304.325 2.150 0 40 DEAB O[C@@H]1c2ccccc2C[C@H]1N1CCc2nc(C3CC3)ncc2C1 528737728 CHMPVQJIWAWIKC-QZTJIDSGSA-N 307.397 2.370 0 40 DEAB CCOC(=O)c1c[nH]c2cc(C(=O)OC(C)C)ccc2c1=O 40174314 UAZUTICPODWIRG-UHFFFAOYSA-N 303.314 2.270 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1F 135459123 XAVPEQCNDCSVAL-VNHYZAJKSA-N 324.396 2.376 0 40 DEAB CC(C)c1ncc(C2=NO[C@H](C(=O)N3CCCCC3)C2)cn1 226078808 HLENOGIGMSMDCK-AWEZNQCLSA-N 302.378 2.106 0 40 DEAB C[C@H](NC[C@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 194865921 XVKJJAWJYOWPII-WMLDXEAASA-N 322.474 2.251 0 40 DEAB CCn1nc(C)c(C(=O)NCc2cccc(C(=O)O)c2)c1Cl 195541941 AFNXTWMGCAMHIL-UHFFFAOYSA-N 321.764 2.493 0 40 DEAB CCn1ncnc1CS(=O)(=O)[C@@H]1CCCc2ccccc21 195299591 UGHHKICYKUTCDD-CQSZACIVSA-N 305.403 2.290 0 40 DEAB Cc1cccc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)c1Cl 195555355 VLMKSEUMIAOHTI-WDEREUQCSA-N 302.827 2.149 0 40 DEAB CSc1nc2ncn(Cc3csc(C)n3)c(=O)c2s1 96430142 WNQKWCQLSJPZTR-UHFFFAOYSA-N 310.429 2.388 0 40 DEAB Cn1cc(CCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cn1 96476015 CKPFOTVMZFKNOC-UHFFFAOYSA-N 307.737 2.343 0 40 DEAB CCc1cnc(CCNC(=O)Cn2ncc3ccccc32)s1 96431788 ADTHPPRMOUAYHT-UHFFFAOYSA-N 314.414 2.414 0 40 DEAB O=C(O)c1coc(N2CCC[C@H](CN3CCCCCC3)C2)n1 580452227 USXCSDUNBOSXIV-CYBMUJFWSA-N 307.394 2.465 0 40 DEAB CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)[C@@H](O)Cc1ccccc1 331047271 GYNCPISWTHQYPY-ULQDDVLXSA-N 305.418 2.300 0 40 DEAB Cn1cc(CN2CCc3ncnc(-c4ccoc4)c3CC2)cn1 96255150 UQFXGIRUBAFNTM-UHFFFAOYSA-N 309.373 2.071 0 40 DEAB Cc1nc(S)sc1CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 49342096 LTJZPDVOWKRJPZ-WDEREUQCSA-N 312.460 2.453 0 40 DEAB O=C(Cn1cc(C2CC2)nn1)NCC1(c2ccc(F)cc2)CC1 95414648 MUNXAIPBEFPJQI-UHFFFAOYSA-N 314.364 2.143 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CC[C@@H](c2[nH]ncc2C)C1 257308415 TWQORJPLCFEWFA-CYBMUJFWSA-N 305.403 2.205 0 40 DEAB CCN(CC)S(=O)(=O)N1CCC(C)(c2nccs2)CC1 257338401 YXFXDUPNWRNIDW-UHFFFAOYSA-N 317.480 2.083 0 40 DEAB NC(=O)CN1CCC2(CC1)CO[C@@H](Cc1cccc(Cl)c1)C2 257340658 ZHCCNWIHLGPFFJ-HNNXBMFYSA-N 322.836 2.239 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccnc2)C[C@H]1c1ccccc1 257299661 RQZKLSWLHKPGCC-KRWDZBQOSA-N 309.369 2.127 0 40 DEAB COC[C@@H](NC(=O)NC[C@@H](O)c1cc(C)cc(C)c1)C1CC1 252489659 JVQFWJGRPYJBIY-HZPDHXFCSA-N 306.406 2.061 0 40 DEAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2ocnc2C)cc1 585277816 PQDKPVBTBLNMGT-HOTGVXAUSA-N 314.385 2.500 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCN(C)C(=O)C2)cc1 44350072 RTWUWXUBSJQOMF-HOCLYGCPSA-N 316.401 2.227 0 40 DEAB CNS(=O)(=O)c1ccc(NC[C@@H](OC)C(C)(C)C)c(F)c1 95982726 AHCSBZKCXCUQQR-CYBMUJFWSA-N 318.414 2.207 0 40 DEAB O=C(O)c1cnn([C@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 97036114 XAKTXRTXRPAXPZ-JTQLQIEISA-N 319.283 2.087 0 40 DEAB C[C@@H](N[C@H]1CCCN(C)C1=O)c1ccc(Br)cn1 580399740 QXDHZIPYZRYLLK-SKDRFNHKSA-N 312.211 2.116 0 40 DEAB Cn1ccnc1C1(O)CCN(C(=O)Nc2ccccc2F)CC1 12143587 LCUMGVUVZFSHQS-UHFFFAOYSA-N 318.352 2.075 0 40 DEAB O=C(O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCNC1 12157314 NTUPJODXLTXQPF-MEDUHNTESA-N 306.337 2.163 0 40 DEAB C[C@@H]1[C@H]2[C@@H](c3ccccc3)N(C)C(=O)N(C)[C@@H]2N(C)C(=O)N1C 13116329 FVKZTBYVXUIROP-BEAPCOKYSA-N 316.405 2.053 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169616476 ISDSLAVHEPKUHD-FGZZBPHYSA-N 323.348 2.031 0 40 DEAB COc1cncc(O[C@H]2CCN(C(=O)CC3CCCCC3)C2)n1 225392099 YDJJBKHIKFTCTI-AWEZNQCLSA-N 319.405 2.435 0 40 DEAB CCCCc1ccc(NC(=O)CSc2n[nH]c(N)n2)cc1 6172961 DLMNRNCMDDLOHW-UHFFFAOYSA-N 305.407 2.460 0 40 DEAB O=C(CCNC(=O)c1ccsc1)Nc1ccc2c(c1)OCO2 22389870 AUUUNQYEPIZFOD-UHFFFAOYSA-N 318.354 2.235 0 40 DEAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2nccn3nccc23)C1 2087131472 MSFIKAFNZUGPQX-CYBMUJFWSA-N 315.421 2.203 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1Cl 4535470 QQLWMOSOSTWPTR-UHFFFAOYSA-N 303.749 2.298 0 40 DEAB Cc1cc2c(N3CC(n4cnc5ccccc54)C3)nccn2n1 1775974588 WMOGQUORBBZEKY-UHFFFAOYSA-N 304.357 2.449 0 40 DEAB CC(=O)Nc1ccc(C(=O)N2CC(Oc3nccs3)C2)cc1 208031866 GNDYRZRLWFRADF-UHFFFAOYSA-N 317.370 2.005 0 40 DEAB O=C(NCC[C@@H](O)c1ccco1)c1ccc(Br)o1 77111102 GNDFTQVTIQDHRO-MRVPVSSYSA-N 314.135 2.489 0 40 DEAB CC1=C(C(N)=O)[C@H](c2ccc(Cl)c(Cl)c2)NC(=S)N1 71688 KZMMQUVQBVTVHH-JTQLQIEISA-N 316.213 2.272 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCO[C@H]1CCCC[C@@H]1C 40105710 OGMJPUSKXQEGEM-GWCFXTLKSA-N 316.423 2.165 0 40 DEAB CC(C)Cc1ccc(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1 40467505 CCKZMYSLZNSPTJ-MRXNPFEDSA-N 323.458 2.073 0 40 DEAB O=C(Nc1ccc(Cl)cn1)[C@@H]1CC(=O)N(Cc2ccco2)C1 40400688 MSOFJCXMBXBQBJ-SNVBAGLBSA-N 319.748 2.315 0 40 DEAB CCOC(=O)N1C(=O)C=C(Nc2c(C)ccnc2C(C)C)C1=O 1857793690 LWILUAYNTBVDJD-UHFFFAOYSA-N 317.345 2.335 0 40 DEAB Cc1ccc(CN(CC(=O)NC[C@H]2CCCO2)C2CC2)cc1 28979266 HHOSABARJQNQMZ-QGZVFWFLSA-N 302.418 2.255 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2cccc(F)c2)CC1 68487906 QCJYEZQKEIRRST-UHFFFAOYSA-N 302.353 2.457 0 40 DEAB O=C1NC(=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 101155946 VYSZWMAFONLBBO-MRXNPFEDSA-N 318.336 2.420 0 40 DEAB 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Cc1cc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)no1 3402317 ASVHLSSIJXCSOL-UHFFFAOYSA-N 308.721 2.361 0 40 DEAB CCSc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C1 48512860 NZQOLNHMBBKTOZ-JTQLQIEISA-N 314.432 2.107 0 40 DEAB COC(=O)c1cccc(NC(=O)CCn2nc(C)cc2C)c1 13012333 SFHGJFBJUDSVTN-UHFFFAOYSA-N 301.346 2.315 0 40 DEAB CCOC1CCN(C(=O)c2[nH]nc(C)c2Br)CC1 48919156 XMBIQTYAANCTRD-UHFFFAOYSA-N 316.199 2.122 0 40 DEAB CC[C@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 13591528 BSWLUSVVOOVZIR-GWCFXTLKSA-N 316.361 2.065 0 40 DEAB CCOC(=O)CN(CC(=O)N[C@@H](C)c1ccc(F)cc1)C(C)C 49980833 RUBGURBBVNAJGH-ZDUSSCGKSA-N 324.396 2.276 0 40 DEAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCc2cncnc2C1 69538664 CLLOMWLRDRMCLY-AWEZNQCLSA-N 322.412 2.203 0 40 DEAB COc1cccc(CN2CCN(Cc3nccn3C)[C@@H](C)C2)c1 69511057 ZANPCGHWJDMKJR-HNNXBMFYSA-N 314.433 2.135 0 40 DEAB Cc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1 6408019 YXAVXAFPVRKBHR-UHFFFAOYSA-N 303.347 2.294 0 40 DEAB COc1ccccc1NC(=O)CN(C)Cc1c(C)nn(C)c1C 14192514 YNOLSQCVRSSZOK-UHFFFAOYSA-N 316.405 2.116 0 40 DEAB 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O=C(c1cnc2ccccc2n1)N1CCC[C@H](c2ccn[nH]2)C1 84603877 OYAQYMNIFWHUGP-LBPRGKRZSA-N 307.357 2.373 0 40 DEAB Cc1ccc(N2CCC[C@@H](NCc3cn4ccccc4n3)C2)nn1 95351548 WPYCPKREGOYMKO-OAHLLOKOSA-N 322.416 2.191 0 40 DEAB CN(C[C@@H]1CCC[C@@H]1O)C(=O)Nc1cccc2c1CCN2C 95437947 NOVVQPINBXGBKO-LRDDRELGSA-N 303.406 2.304 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1cccn1Cc1ccccc1 74051815 RCNBTTZBQXBGMI-ZDUSSCGKSA-N 300.358 2.218 0 40 DEAB O=C(NCc1cc(F)cc(Br)c1)[C@H]1CCCCN1 95971068 ZINVXXKBBVSWEV-GFCCVEGCSA-N 315.186 2.347 0 40 DEAB O=C(Cc1ccc2ccccc2c1)N1CCOC[C@H]1c1ncon1 95981356 WNTWZRZJWXVQHI-INIZCTEOSA-N 323.352 2.365 0 40 DEAB COC(=O)C[C@@H]1CN(c2ccnc3c(C)cccc23)CCO1 89689028 WRIQFSCIRVOUQR-CYBMUJFWSA-N 300.358 2.312 0 40 DEAB Cc1cscc1C(=O)N(C)[C@@H]1CCCC[C@H]1S(C)(=O)=O 89708871 KSXLXZHSZKUTNQ-CHWSQXEVSA-N 315.460 2.484 0 40 DEAB O=C(NCCOc1ccc(C(F)(F)F)cc1)N[C@@H]1CCOC1 89782967 HWRBWQDMRXFJCI-LLVKDONJSA-N 318.295 2.172 0 40 DEAB CCC(CC)NC(=O)[C@@H]1CN(C(=O)C2CC2)c2ccccc2O1 60337385 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COC(=O)c1ccc(Cl)c(NC(=O)[C@H]2CCCN(C)C2)c1 82334701 GZFBSXZGGSNROT-NSHDSACASA-N 310.781 2.407 0 40 DEAB CCN1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 96260445 FHSQBEKOLAHMRE-UHFFFAOYSA-N 304.438 2.024 0 40 DEAB CN(CCO)C(=O)c1ccc(OCc2ccc(Cl)cn2)cc1 97094994 VGDBSPVGBRHFKE-UHFFFAOYSA-N 320.776 2.378 0 40 DEAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCc2nncn2C2CC2)s1 96405464 GRLHMTWGAFNHNN-OLZOCXBDSA-N 316.430 2.445 0 40 DEAB O=C(Cc1ccccc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108724 SOYDRBVZUTZBFF-IEBWSBKVSA-N 315.413 2.131 0 40 DEAB C[C@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@H](O)Cc1ccccc1 97237126 OBFULDOECABDEG-ZUZCIYMTSA-N 321.323 2.392 0 40 DEAB Cn1cc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)nn1 579959122 ZNCSIJWRNGBGOC-CQSZACIVSA-N 310.361 2.202 0 40 DEAB CO[C@H]1CCN(C(=O)c2ccoc2C)[C@H]1Cc1cccnc1 96200479 XPGLUXVBPKKQGD-HOTGVXAUSA-N 300.358 2.455 0 40 DEAB Cn1nnc2c1[C@H](COCc1ccccc1)CN(CC1CC1)C2 96060817 UBGHXSDBIZYHAS-INIZCTEOSA-N 312.417 2.341 0 40 DEAB CN(C)C(=O)c1nc2c(s1)CCN(Cc1ccoc1)CC2 96187571 LETIEOUWWYJZJB-UHFFFAOYSA-N 305.403 2.039 0 40 DEAB O=C(c1cccc(Br)c1)N1CCc2ncncc2C1 96122817 VFDBVOGOYDQYLD-UHFFFAOYSA-N 318.174 2.438 0 40 DEAB COc1cc(C(=O)NCCCc2n[nH]c(C)n2)ccc1Cl 97230035 CMJWZNJYKKFLEP-UHFFFAOYSA-N 308.769 2.138 0 40 DEAB COCCOC1CN(C(=O)[C@@H]2C[C@@]23CCCc2ccccc23)C1 97212832 IUJTVUBHLALWQF-PKOBYXMFSA-N 315.413 2.154 0 40 DEAB CC(C)NC(=O)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042680 CXDBKAZXAPHONQ-RRFJBIMHSA-N 308.447 2.252 0 40 DEAB CCn1ncc2c1[C@H](COC)CN(C(=O)c1cccs1)C2 96060163 XFDUOGUTCJNEEB-LBPRGKRZSA-N 305.403 2.351 0 40 DEAB O=C(CNC(=O)c1ccccc1OC1CCCCC1)NC1CC1 96422279 UGCBRNXHYAORBK-UHFFFAOYSA-N 316.401 2.407 0 40 DEAB Cc1cc(N)cc([C@@H]2CN(Cc3csc(C)n3)CCO2)n1 257235084 GWJNQNCNWMUPNV-HNNXBMFYSA-N 304.419 2.311 0 40 DEAB Cc1cnc(C2(C)CCN(CC(=O)N3CCCC3)CC2)s1 257211270 BYFOMLIHXMIDPN-UHFFFAOYSA-N 307.463 2.427 0 40 DEAB CNc1nccnc1C[C@H]1CCCN(Cc2cncs2)C1 257269527 MQIZNRMPRLEIEQ-GFCCVEGCSA-N 303.435 2.430 0 40 DEAB CC(C)(COCc1ccccc1)NC(=O)NCc1cccnn1 252483118 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0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)c2cc3c(s2)CCC3)C1 32268682 VMTDFNUCSNDDNL-CQSZACIVSA-N 322.474 2.323 0 40 DEAB O=C1C[C@@H](NCCc2ccccc2F)C(=O)N1c1ccccc1 4954082 BGXRJOULWFUOKW-MRXNPFEDSA-N 312.344 2.290 0 40 DEAB COc1ccccc1NC(=O)COC(=O)c1ccccc1N 6389395 VUKCZFHCJUYAAL-UHFFFAOYSA-N 300.314 2.073 0 40 DEAB CCCn1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 6593851 NXOGMKWLDRTMMK-UHFFFAOYSA-N 317.393 2.398 0 40 DEAB CC(C)Cn1c(S[C@H](C)C(=O)NC(N)=O)nc2ccccc21 2618687 CDKLZCQHAPERGG-SNVBAGLBSA-N 320.418 2.368 0 40 DEAB CC(=O)c1ccc(OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 7656029 WWSWSOPJDPKDLA-XJKSGUPXSA-N 319.382 2.249 0 40 DEAB Cc1cccc(C2=N/C(=C\c3ccc4c(c3)O[C@@H](O)O4)C(=O)O2)c1 8642181 GQVGOPDNRYSKME-ZHJQRIIBSA-N 323.304 2.387 0 40 DEAB C[C@H]1CN(C(=O)CCNc2ncnc3ccccc23)C[C@H](C)O1 52445303 PWOFYWDDLGRMDX-STQMWFEESA-N 314.389 2.068 0 40 DEAB O=C(Cn1c(S)nnc1-c1cccs1)NC1CCCC1 29871648 SAWMTDFYNHCXNF-UHFFFAOYSA-N 308.432 2.354 0 40 DEAB O=C1O[C@@H](C(=O)Nc2ccccc2C(=O)O)Cc2ccccc21 2708363 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300.406 2.433 0 40 DEAB CCc1c(Cl)nc(C)nc1N[C@H]1CCN(c2cnn(C)c2)C1 96429521 VIZFDMGBBNCJCB-NSHDSACASA-N 320.828 2.425 0 40 DEAB Cc1cccn(Cc2ccc(S(=O)(=O)C(F)F)cc2)c1=O 96447926 QEMYKBBRYLGGMA-UHFFFAOYSA-N 313.325 2.201 0 40 DEAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1cc(C)on1 96197878 PPKJAHNOWPJPJI-MRXNPFEDSA-N 316.405 2.335 0 40 DEAB O=C(Cc1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 96200032 NNHHEVVQKAMHSR-JKSUJKDBSA-N 301.411 2.495 0 40 DEAB O=S(=O)(c1ccccc1)N1C[C@@H]2[C@H](CN2CC2CCCC2)C1 96080468 IDKGSBSNWBEEJM-NVXWUHKLSA-N 320.458 2.182 0 40 DEAB C[C@H](C(N)=O)N(C)Cc1ccc(Br)c2cccnc12 97371960 JICBZHYEBPARBE-SECBINFHSA-N 322.206 2.303 0 40 DEAB O=C1Cc2ccc(CN3CCO[C@@H](c4nccs4)C3)cc2O1 97200041 PDKABQAYYQLDQN-CQSZACIVSA-N 316.382 2.178 0 40 DEAB Cc1cncc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)c1 96200999 GQSVXMAMQMYAJB-MSOLQXFVSA-N 324.428 2.172 0 40 DEAB CN(C)C[C@@H]1CO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96228337 PSICWPXMWHJSOJ-IEBWSBKVSA-N 316.445 2.188 0 40 DEAB 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2.386 0 40 DEAB CCc1nccn1CC1CN(c2nccc(C(F)(F)F)n2)C1 2086883039 XZGIWCBKEZNFDO-UHFFFAOYSA-N 311.311 2.391 0 40 DEAB COC(=O)c1ccc(C(=O)Nc2cnc3cc(C)nn3c2)cc1 206737153 MUWCFHBWOCRUPD-UHFFFAOYSA-N 310.313 2.077 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)C(C)C)CC1 40459891 NLSHSDKWTNTYLT-UHFFFAOYSA-N 324.808 2.289 0 40 DEAB Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)c(C)c1 40539057 IIGCSMQQCRVMCC-UHFFFAOYSA-N 316.445 2.488 0 40 DEAB Cc1ccc(NC(=O)CSc2nnc(N)n2C2CC2)cc1 31853856 ILBSYLKOKGNRDB-UHFFFAOYSA-N 303.391 2.234 0 40 DEAB Cc1nc(Cl)cc(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)n1 70039810 KMQXAMLFDRRKDU-LLVKDONJSA-N 322.771 2.334 0 40 DEAB COc1ccccc1CN(CCO)Cc1cccc2c1OCO2 91790311 XBBZTERYASOOHE-UHFFFAOYSA-N 315.369 2.418 0 40 DEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)Nc1nccs1 11692834 RSNYUHJQHTYEFV-UHFFFAOYSA-N 320.765 2.089 0 40 DEAB CNC(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101926742 DMDGJKSJNZNADS-STQMWFEESA-N 310.344 2.205 0 40 DEAB O=S(=O)(NCCCO)c1ccc(Cl)c(Cl)c1Cl 41095910 IGZXIXJRFYZARB-UHFFFAOYSA-N 318.609 2.308 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCCN(c3cnccn3)C2)o1 29780361 BXFAWYBWRDFFOI-KBPBESRZSA-N 314.389 2.472 0 40 DEAB COc1ccc(C(=O)NCCNc2ncnc3ccccc23)cc1 52468283 GCHYLFRETYPAJI-UHFFFAOYSA-N 322.368 2.480 0 40 DEAB CCCCc1nnc(NC(=O)CNC(=O)c2ccccc2)s1 32902282 NXHSUZNSZNBDOS-UHFFFAOYSA-N 318.402 2.249 0 40 DEAB O=C1CCSc2ccc(C(=O)Nc3ncccc3O)cc2N1 21901703 FWDSDUWGAAMTGP-UHFFFAOYSA-N 315.354 2.474 0 40 DEAB NC(=O)C[C@H]1CCCCN1C(=O)CCn1ccc2ccccc21 69441636 IMQGBFFIUTZMAP-OAHLLOKOSA-N 313.401 2.288 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c[nH]1 22157168 LUFHQHBMALYQKJ-UHFFFAOYSA-N 300.723 2.167 0 40 DEAB COc1cc(NC(=O)N2[C@@H]3CC[C@@H]2COC3)cc(OC)c1OC 101467251 DHYQTUCBWLWCLY-VXGBXAGGSA-N 322.361 2.108 0 40 DEAB COC(=O)N1CCC[C@@H](C(=O)Nc2cccc(CN(C)C)c2)C1 69459032 CONYTFFGKZONBU-CQSZACIVSA-N 319.405 2.165 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)NCCCn2ccnc2)on1 42897913 JBNHPQREZLCWAE-ZDUSSCGKSA-N 303.366 2.116 0 40 DEAB COc1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cn1 54926777 NRFXSQPLJLZVSY-UHFFFAOYSA-N 316.361 2.033 0 40 DEAB CC1(C)CC(NC(=S)NC(=O)c2ccco2)CC(C)(C)N1 3225749 BQZGJFRRPOBRSS-UHFFFAOYSA-N 309.435 2.193 0 40 DEAB O=C(c1cc[nH]n1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76060496 WEVBFQWZEUVCDJ-MRVPVSSYSA-N 313.283 2.171 0 40 DEAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[C@@H]2CCCCO2)C1=O 27291142 IDFDALDNHVJCRF-OCCSQVGLSA-N 316.357 2.108 0 40 DEAB Cc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1O 3302826 QTQPUADEMPHENZ-UHFFFAOYSA-N 313.353 2.216 0 40 DEAB Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@@H]1CCCO1)C(C)C 36022540 BLYTVNFKCAWBBL-HOCLYGCPSA-N 318.417 2.045 0 40 DEAB Cc1cc(CN2CCN(C(=O)NCc3cccs3)CC2)on1 44889557 XTNMIXCSCCIVCC-UHFFFAOYSA-N 320.418 2.072 0 40 DEAB C[C@H]1CO[C@H](C)CN1Cc1nc2cc(Cl)ccc2c(=O)[nH]1 27642435 BONFEPFAXDBOSF-VHSXEESVSA-N 307.781 2.186 0 40 DEAB C[C@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCO1 27907512 RPONKIKCKVFMCR-XHDPSFHLSA-N 303.337 2.309 0 40 DEAB CO[C@H](CNCc1c(C)nn(C)c1N(C)C)c1ccccc1 58428955 BMRLPUNSQUOHCF-MRXNPFEDSA-N 302.422 2.272 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H](C)N1CCCC1 58432433 AQGQUACNVPPMGD-LBPRGKRZSA-N 313.401 2.260 0 40 DEAB O=C(c1ccccc1)C1CCN(Cc2nnnn2C2CC2)CC1 12757229 PCTOOIXGQKITGB-UHFFFAOYSA-N 311.389 2.103 0 40 DEAB C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCCN2C)C1)c1ccccc1 89905608 GJJPFLFIMSHLBP-CGTJXYLNSA-N 315.461 2.280 0 40 DEAB C[C@H]1CCCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 65497922 VTCVTIQFZNQUPX-AWEZNQCLSA-N 313.401 2.435 0 40 DEAB C[C@@]1(C(=O)O[C@@H](C(N)=O)c2ccccc2)CC1(Cl)Cl 14071164 NUNMXISEPDBPPF-SKDRFNHKSA-N 302.157 2.340 0 40 DEAB CC(C)[C@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 14139041 GESKSXWGXIMFFZ-LBPRGKRZSA-N 302.374 2.110 0 40 DEAB COc1c(C)cnc(CN2CCN(c3nccs3)CC2)c1C 65608587 XIGVFNPBRBANJJ-UHFFFAOYSA-N 318.446 2.486 0 40 DEAB COCCN1CCC[C@H]1CNC(=O)CCCc1ccccc1 65622078 LMTMJAXJKKLWAB-KRWDZBQOSA-N 304.434 2.236 0 40 DEAB CCn1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cn1 6637126 WJVPNPGNMOYPAB-UHFFFAOYSA-N 309.435 2.150 0 40 DEAB Cn1nnnc1SCCCNCc1c(F)cccc1Cl 4993802 CBMNOFNKIYWEOE-UHFFFAOYSA-N 315.805 2.275 0 40 DEAB Cc1cc(Cl)ccc1OC(F)(F)C(=O)N1CCOCC1 5925596 VZFGQCAPVCWCHZ-UHFFFAOYSA-N 305.708 2.479 0 40 DEAB COc1cccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)c1 7059182 DWMWCPWTOFABCO-HNNXBMFYSA-N 302.374 2.250 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=S)NCC(C)(C)N1CCOCC1 15348811 GXZAXMDENYFWGV-ZIAGYGMSSA-N 313.511 2.140 0 40 DEAB COC(=O)C[C@H](NC(=O)c1cnccn1)c1ccccc1Cl 8945920 QBZHNGGKLOZFBV-LBPRGKRZSA-N 319.748 2.164 0 40 DEAB COc1ccc(CCC(=O)Nc2cccc(-n3cnnn3)c2)cc1 7646189 XPJFUFVTZPNYLQ-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cn2c(C)csc2=O)cc1 7735734 OSRKJIBPCOFMBL-LBPRGKRZSA-N 319.382 2.341 0 40 DEAB COc1ccccc1CC(=O)Nc1ccc(S(C)(=O)=O)cc1 7725055 LKMLEDSGRLKYRZ-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)c1ccc(N(C)C)c(F)c1 81582485 QYPZJMPWRHKVAL-ZDUSSCGKSA-N 317.368 2.057 0 40 DEAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C1CC1 8132817 GGJPMLJZWZBLDS-UHFFFAOYSA-N 305.765 2.335 0 40 DEAB CNC(=O)CN(C)c1nc2c(Cl)c(C)nn2c2ccccc12 9155972 DBNGYUIXMUSVAL-UHFFFAOYSA-N 317.780 2.027 0 40 DEAB Cc1nn(CCO)c(C)c1CN[C@H]1CCOc2ccccc21 71825180 DENQYOUTVNVKRN-INIZCTEOSA-N 301.390 2.106 0 40 DEAB C[C@@H]1CN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC(C)(C)O1 71831066 UETJPJCXUBRDHX-LLVKDONJSA-N 321.808 2.347 0 40 DEAB O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@H]2CCCC[C@H]21 71834683 DIBWGRYEPZPOTH-CVEARBPZSA-N 312.369 2.312 0 40 DEAB Cc1ccc(N2CCC[C@H](N(C)Cc3cc(C)no3)C2)nn1 71859808 MIZGYQGSMKDHKZ-AWEZNQCLSA-N 301.394 2.182 0 40 DEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)c1ncoc1[C@@H]1CCCO1 72295558 QKCCZMYGPHLWGQ-AZHAFVHUSA-N 320.389 2.460 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)n1 72296630 FFGGXQZGHYEXHC-SNVBAGLBSA-N 321.768 2.150 0 40 DEAB COCc1nc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)cs1 72231732 OYIUPWAEVVWNBN-JTQLQIEISA-N 322.390 2.001 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)c1coc(Br)c1 97050032 KKGUBOSICDDCFY-MRVPVSSYSA-N 302.124 2.121 0 40 DEAB C[C@H]1CCOCCN1S(=O)(=O)c1c(F)cccc1Cl 97147255 ULGYSNYAJQKABK-VIFPVBQESA-N 307.774 2.279 0 40 DEAB CC(C)CNC(=O)Nc1nc2ccc(Br)cn2n1 97136331 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CFAJPXOMIFWEPN-LJQANCHMSA-N 308.381 2.491 0 40 DEAB CC1CCC(NC(=O)Cc2n[nH]c3ccccc23)(C(=O)O)CC1 195551237 MWACSTGBWCPVDK-UHFFFAOYSA-N 315.373 2.255 0 40 DEAB Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)n1 40714848 NYVSOVPDXKAGFF-AGIUHOORSA-N 321.377 2.323 0 40 DEAB O=C(c1ccc(O)cc1F)N1CCC([C@H](O)C(F)(F)F)CC1 195569771 TUONMTDMLGRUKK-LBPRGKRZSA-N 321.270 2.307 0 40 DEAB C[C@H](c1cccs1)N(C)C(=O)COn1nnc2ccccc21 96428806 CDBOLGVQEIVUDO-LLVKDONJSA-N 316.386 2.141 0 40 DEAB CN1C[C@@H]2C[C@H]1C(=O)N(Cc1cccnc1)c1ccccc1O2 96111831 GETKYLWWBZPFKV-HOCLYGCPSA-N 309.369 2.080 0 40 DEAB biogenic,in-vitro COC[C@@H]1CN(Cc2cc(C)on2)Cc2cn(CC3CC3)nc21 96198153 QCNDPUWHGBXVMD-HNNXBMFYSA-N 316.405 2.335 0 40 DEAB CC(C)n1ccc(CCNC(=O)c2cccc(CN(C)C)c2)n1 96421743 UDULDHQBSCYQEX-UHFFFAOYSA-N 314.433 2.498 0 40 DEAB c1coc(CN2CCOC[C@@]3(CC[C@H](CN4CCCC4)O3)C2)c1 96052324 FKQGPLZKGBJISZ-QZTJIDSGSA-N 320.433 2.125 0 40 DEAB O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1cccnc1 96239102 OUWDZAZORWTELD-GOSISDBHSA-N 308.385 2.106 0 40 DEAB CSC[C@@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 96455087 PYLNTWPHZDFTSV-NXEZZACHSA-N 313.389 2.016 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 96246140 QAXMHWHLVVZNCN-RRFJBIMHSA-N 320.458 2.321 0 40 DEAB CN(C)CCC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 96487330 UURFPTDAIPSURG-LLVKDONJSA-N 313.804 2.126 0 40 DEAB Cc1occc1CNC(=O)c1cccc(N2CCCNC2=O)c1 96448322 XHDFDFPLHXADOU-UHFFFAOYSA-N 313.357 2.438 0 40 DEAB CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1ccco1)C2 96047407 NYCBBYOLETUHHX-OAHLLOKOSA-N 312.435 2.060 0 40 DEAB C[C@@H](CN1CCOCC1)N1CCC([C@@H](O)c2ccccc2)CC1 91531521 XZEWJTNOOYIEMK-LPHOPBHVSA-N 318.461 2.153 0 40 DEAB Cc1cnc([C@H]2CCCN(C(=O)Cn3ccnc3C)C2)s1 257217092 CXKWFUNWSGCFHA-ZDUSSCGKSA-N 304.419 2.363 0 40 DEAB c1ccc(OC[C@@H]2CCOC23CN(Cc2cccnc2)C3)nc1 253602745 RIMZLGKWRLOZKH-INIZCTEOSA-N 311.385 2.147 0 40 DEAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H]1c1ccncn1 257335168 YIYBHKAJMIEFMR-OAHLLOKOSA-N 321.384 2.339 0 40 DEAB CCCS(=O)(=O)N1CCC[C@H]1c1ccc(CN(C)C)cn1 257309446 UAZONGQGUKDGJL-HNNXBMFYSA-N 311.451 2.020 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1 298131317 HKMHCEOXPSPDJY-ZBFHGGJFSA-N 302.418 2.430 0 40 DEAB COCCN1CCC(CNC(=O)CSC2CCCC2)CC1 96098341 HUZZPTKLFOYGCF-UHFFFAOYSA-N 314.495 2.137 0 40 DEAB CC(C)n1c([C@@H](C)NC(=O)Cc2nc[nH]n2)nc2ccccc21 585140824 JVRZNMIXILKXCD-LLVKDONJSA-N 312.377 2.155 0 40 DEAB O=C(NCc1cccc(F)c1)N[C@H]1CCN(CC(F)(F)F)C1 57991114 LPRAANYDBXECSE-LBPRGKRZSA-N 319.302 2.262 0 40 DEAB CCCCS(=O)(=O)NCc1ccccc1Cn1cccn1 53645517 YEAFNZSWSVYVGG-UHFFFAOYSA-N 307.419 2.151 0 40 DEAB c1csc(-c2cc(CN[C@@H]3CCc4ncnn4C3)no2)c1 69872984 QDEAHHIGUZKAQJ-SNVBAGLBSA-N 301.375 2.099 0 40 DEAB O=C(c1cnccn1)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72367647 HPWCQEDYLKVXOU-GFCCVEGCSA-N 307.357 2.058 0 40 DEAB CC1(C)CN(Cc2nnc(-c3cccs3)o2)CC[S@@]1=O 88615915 YDAGRUVZBQQQEN-HXUWFJFHSA-N 311.432 2.141 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@](C)(CN)C2CC2)c(Cl)c1 95972373 YLJJAIMFCBHVFS-CYBMUJFWSA-N 302.827 2.054 0 40 DEAB CN(C)CCCNC(=O)CSc1nc2ccccc2s1 6711849 LXOMBTKSRRIWPC-UHFFFAOYSA-N 309.460 2.456 0 40 DEAB C[C@H](O)CNc1nc2sc3c(c2c2ncnn12)C[C@H](C)CC3 5533536 PZIISRJUNXHHKX-BDAKNGLRSA-N 317.418 2.257 0 40 DEAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@H](c2ccc(Cl)c(Cl)c2)N1 5818900 HQUDGNCRBVPFLW-QWRGUYRKSA-N 312.156 2.405 0 40 DEAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1ccccn1 12141888 ZLUBTLBHZQOJTQ-HNNXBMFYSA-N 309.373 2.281 0 40 DEAB O=S(=O)(NC1[C@H]2CCCC[C@@H]12)c1cccc2nsnc12 12241629 XYVBJSZGPDKUQY-USUYBEQLSA-N 309.416 2.158 0 40 DEAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 13147335 ZOHDOFBGGUXZSD-GZFHQYITSA-N 317.385 2.359 0 40 DEAB NC1=N[C@@H](c2ccccc2)C2=C(N1)C(=O)N(C1CCCCC1)C2 17353492 JRNIBYOGQKEJOB-HNNXBMFYSA-N 310.401 2.075 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H]1CCCN1c1nccs1 206780183 DEHJNJWNHKUHKC-GFCCVEGCSA-N 320.418 2.076 0 40 DEAB COc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 225494774 BNJLHODXHXXOHT-UONOGXRCSA-N 317.389 2.211 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CC(Cn2cc(Cl)cn2)C1 1848827051 UVFRYFFHLUMVPE-UHFFFAOYSA-N 307.756 2.377 0 40 DEAB C[C@H](NC(=O)c1cc(C2CC2)on1)c1nnc2n1CCCCC2 29256008 PZHALDJWMOODQO-JTQLQIEISA-N 315.377 2.361 0 40 DEAB CN(Cc1ccc(C(N)=O)cc1)C(=O)Cc1noc2ccccc12 29261525 SDPXKTMLMZQWHV-UHFFFAOYSA-N 323.352 2.128 0 40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@@H]3c3cnccn3)cn2c1 2037845849 LQMMSJIVZULMLI-OAHLLOKOSA-N 307.357 2.410 0 40 DEAB O=C(c1cnco1)N1CCC[C@]2(CCCN(CC3CC3)C2)C1 2056224878 CGGMEMKKLMNXDZ-KRWDZBQOSA-N 303.406 2.403 0 40 DEAB O=C([C@H]1CCOC1)N1CCc2ncnc(-c3ccsc3)c2C1 1565555267 DRCXKTMPJJRQEZ-NSHDSACASA-N 315.398 2.126 0 40 DEAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1cccc(F)c1)C2 1565543142 KPUQLIIGDFIQFX-PBHICJAKSA-N 304.365 2.204 0 40 DEAB Cc1nccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)n1 585147362 JRNSCELIHHIXLU-GFCCVEGCSA-N 318.402 2.209 0 40 DEAB COc1nc(C)c(NS(=O)(=O)c2cccc(C)c2)c(C)n1 585435988 KMIDKYAYROSBSD-UHFFFAOYSA-N 307.375 2.211 0 40 DEAB Cc1csc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)n1 29246456 HYQGLWBLISPGSD-UHFFFAOYSA-N 317.292 2.089 0 40 DEAB O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(O)cc1 32074253 DFYVLVWZIKBXFP-UHFFFAOYSA-N 309.325 2.131 0 40 DEAB COc1cc(C(=O)[C@@H](O)c2ccc(O)c(OC)c2)ccc1O 2042188 QUPJTPYPQZUQPY-HNNXBMFYSA-N 304.298 2.031 0 40 DEAB NC(=O)[C@@H](NC(=O)CCc1ccc(F)c(F)c1)c1ccccc1 46186791 OUGKJXRFBPEKCD-INIZCTEOSA-N 318.323 2.240 0 40 DEAB OCCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2)o1 32616909 FEEQMKLBQMVJMO-UHFFFAOYSA-N 319.752 2.191 0 40 DEAB CC(=O)c1ccc(OC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 7656030 WWSWSOPJDPKDLA-CZUORRHYSA-N 319.382 2.249 0 40 DEAB COc1cccc(NC(=O)NCc2nc(-c3ccco3)n[nH]2)c1 69631085 LQRFUXDWIZAKRA-UHFFFAOYSA-N 313.317 2.395 0 40 DEAB CCOC(=O)N[C@@H](C(=O)NCCc1ccc(F)cc1)C(C)C 32911678 XZZOYNBHBPCYHL-CQSZACIVSA-N 310.369 2.255 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)C[C@@H](C)O1 9591904 DIWQNWXJALAMEV-BETUJISGSA-N 309.431 2.363 0 40 DEAB CCCN1CCC(NC(=O)C2=NO[C@H](c3ccccc3)C2)CC1 52985320 SDUZGLPVVLPDGG-KRWDZBQOSA-N 315.417 2.495 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCCN(C)C1 89941187 CKDXTZZJBWUBGJ-GOEBONIOSA-N 301.434 2.195 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)Nc1ccccn1 47130704 ZHZBZZRPGFEJOB-UHFFFAOYSA-N 301.302 2.011 0 40 DEAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1nnc(C(C)C)s1 47413520 LGEPFRHRZWTPFR-JTQLQIEISA-N 310.423 2.391 0 40 DEAB C[C@H]1CN(C(=O)c2ccn(COc3ccccc3)n2)C[C@@H](C)O1 28576272 OSVIPQSKXVFIQG-OKILXGFUSA-N 315.373 2.169 0 40 DEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCCn1ccnc1)CC2=O 101023338 DNWSFCQBRNYSHF-IRXDYDNUSA-N 303.406 2.175 0 40 DEAB Cc1cc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c(C)o1 24501813 SUYHEMGCWNJGPD-UHFFFAOYSA-N 319.405 2.260 0 40 DEAB COc1ccc(NC(C)=O)cc1N[C@@H](C)C(=O)N1CCCCC1 12543658 XQZAPZVVQXZTMU-LBPRGKRZSA-N 319.405 2.467 0 40 DEAB Cc1cccn2c3c(c(=O)nc12)[C@@H](c1ccccc1)CC(=O)N3 1431797 PDJKMPXLHNBBQX-CYBMUJFWSA-N 305.337 2.477 0 40 DEAB C[C@@H](NC(=O)NCCCn1cncn1)c1ccccc1Cl 47891370 IYDSZFRNLCIOQH-LLVKDONJSA-N 307.785 2.382 0 40 DEAB Cc1ccccc1C1(CNC(=O)[C@H]2CCCO2)CCOCC1 55760705 RLYZWVJAKXHSMN-MRXNPFEDSA-N 303.402 2.338 0 40 DEAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(N3CCNC3=O)CC2)C1(C)C 55786293 YJSKFOUTDOZWOL-LSDHHAIUSA-N 319.449 2.241 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1c(C)nn(C)c1Cl 106909340 VEJAKVSKFSXGRP-LSDHHAIUSA-N 324.856 2.357 0 40 DEAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)N(C)[C@H](C)CS(C)(=O)=O 107150434 RTZRGRGFBMSGEF-UPJWGTAASA-N 318.483 2.276 0 40 DEAB COc1ccc(CNC(=O)CCn2cc(Cl)cn2)cc1OC 27969116 BQNKWQJRBZROGU-UHFFFAOYSA-N 323.780 2.260 0 40 DEAB C[C@H]1CCCN(C(=O)c2cc(NC(=O)c3ccco3)n(C)n2)C1 57279305 YYAVSWGGDYRWJW-NSHDSACASA-N 316.361 2.138 0 40 DEAB C[C@@H](CNC(=O)NCc1cc(-c2ccccc2)no1)N(C)C 89901071 DJLQLLGJTSQZSY-LBPRGKRZSA-N 302.378 2.091 0 40 DEAB O=C(NCc1ccccc1F)N1CCN(c2nccs2)CC1 10036719 NIVDDTPAMCQULK-UHFFFAOYSA-N 320.393 2.314 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(C)C)cc1 58191605 LLAGIVDXCSQJMV-GFCCVEGCSA-N 324.446 2.244 0 40 DEAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 44869743 NABYMRULLFKXFA-VIFPVBQESA-N 319.386 2.363 0 40 DEAB CC(=O)c1c[nH]c(C(=O)Nc2ccn(Cc3ccncc3)n2)c1 58298389 RGPDDNQWZIGVEZ-UHFFFAOYSA-N 309.329 2.109 0 40 DEAB CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 48383503 LBYMQSOSDADMJZ-KGLIPLIRSA-N 316.357 2.042 0 40 DEAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1F)c1cn[nH]c1 62667376 HEMYGRNBYCTZQG-UHFFFAOYSA-N 309.244 2.368 0 40 DEAB CCCCn1nnnc1CSc1nnc(-c2ccco2)n1C 12915651 ZTGZHZWYBHZMOM-UHFFFAOYSA-N 319.394 2.154 0 40 DEAB O=c1[nH]c(-c2cnccn2)nc2sc3c(c12)CCSC3 48622781 GACHIMWEGWOKNL-UHFFFAOYSA-N 302.384 2.231 0 40 DEAB Cc1cc(C)n(C[C@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1 69368313 WCXJWTHWFRALLN-OAHLLOKOSA-N 304.394 2.006 0 40 DEAB CCOC(=O)N1CCN(C(=O)CCC(=O)c2cccs2)CC1 8327488 FKINWPGZLQDONM-UHFFFAOYSA-N 324.402 2.012 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc(N2CCOCC2)cc1 8388849 KNRPMYBREUFNEZ-UHFFFAOYSA-N 315.373 2.309 0 40 DEAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc(Cl)c1 65415490 BJKHLYDKRDZGHL-UHFFFAOYSA-N 317.780 2.337 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccc(N(C)C)cn1 65503194 KTVXIDQNHUGIKT-SNVBAGLBSA-N 301.394 2.240 0 40 DEAB COc1ccccc1NC(=O)c1ccc(N2CCOCC2)nc1 14111214 CLYIKWKVVBEFAD-UHFFFAOYSA-N 313.357 2.179 0 40 DEAB Cc1cccc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2)c1N 8720680 RHIZEZKYSMVUTA-ZDUSSCGKSA-N 312.369 2.439 0 40 DEAB CCN(Cc1ccccc1)C(=O)CSc1nccc(O)n1 4864461 YRWGQRUITIVPME-UHFFFAOYSA-N 303.387 2.323 0 40 DEAB O=C(Cn1nnc2ccccc21)N[C@H]1C[C@H]1c1cccc(F)c1 67091880 CVCRSFSZLVPJFN-ZFWWWQNUSA-N 310.332 2.243 0 40 DEAB CNC(=O)[C@@H]1CN(CCOc2ccccc2)c2ccccc2O1 7253687 VIRWRUFMGJRNGW-KRWDZBQOSA-N 312.369 2.079 0 40 DEAB COC(=O)c1cc(C(=O)N(C)Cc2ccc(F)cc2F)ccn1 80466317 UTXVQAPVXDHQRV-UHFFFAOYSA-N 320.295 2.419 0 40 DEAB CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)O 21803553 KOZNFOKLLSBCEU-ZDUSSCGKSA-N 304.371 2.171 0 40 DEAB CCC12CN3CC(C)(CN(C1)C3c1ccc(OC)cc1)C2=O 19323572 JIHIKJGVHRJZQS-UHFFFAOYSA-N 300.402 2.310 0 40 DEAB biogenic C[C@H](NC(=O)CN1CCC[C@@H]1c1cnn(C)c1)c1ccco1 71797295 VIXCCMUICAQRQO-GXTWGEPZSA-N 302.378 2.027 0 40 DEAB CC[C@H]1CCCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 96446321 QTFHSXZIOAZBDQ-ZDUSSCGKSA-N 301.452 2.240 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)c1 71866038 FWUFZCNMJMEJCJ-GOEBONIOSA-N 305.422 2.388 0 40 DEAB CC(C)n1nnnc1S[C@@H]1CCN(c2ccccc2F)C1=O 71899871 VCICERSUKFMUHZ-GFCCVEGCSA-N 321.381 2.291 0 40 DEAB CC[C@@H](O)[C@H]1CCCCN1CCS(=O)(=O)c1ccccc1 71907800 DBILRPAVIODIPR-HZPDHXFCSA-N 311.447 2.086 0 40 DEAB COCC[C@H](C)NC(=O)C(=O)c1ccc(Br)cc1 72284670 JLHFTOJKUOTONN-VIFPVBQESA-N 314.179 2.173 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3ccccn3)C2)n1 72235581 AUEHQWMBAQGDPB-INIZCTEOSA-N 313.405 2.086 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 72233967 ADQMYDDNGVOZCI-AWEZNQCLSA-N 324.388 2.076 0 40 DEAB O=C(CCc1ccccc1)N1CCCN(Cc2ccon2)CC1 97013149 IOQJFZGJDOQZHO-UHFFFAOYSA-N 313.401 2.342 0 40 DEAB Cc1nnc2n1C[C@@H](NCc1csc(-c3ccco3)n1)CC2 97199379 YEUCZCZXVDHRIB-NSHDSACASA-N 315.402 2.408 0 40 DEAB Cn1cnn(CN2CCC[C@H]2COc2ccccc2)c1=S 78808653 AYZXFVDCWRUEKP-ZDUSSCGKSA-N 304.419 2.452 0 40 DEAB Cc1ccccc1O[C@H](C)CNC(=O)c1ccc(C(N)=O)cc1 78878656 GPGNBRZZOOVJKV-CYBMUJFWSA-N 312.369 2.291 0 40 DEAB CCOc1ncccc1C(=O)N[C@@H](CC(=O)O)c1ccccc1 78824815 UIJXORZMAUANJG-AWEZNQCLSA-N 314.341 2.426 0 40 DEAB Cc1nnc(CN2CCN([C@@H](C)c3ccsc3)CC2)n1C 97378895 OLBVSVXMPIIRMT-LBPRGKRZSA-N 305.451 2.064 0 40 DEAB Cc1cc(NC(=O)c2ccn(C)c(=O)c2)ncc1Br 79022963 QPLJATJNIKOFOW-UHFFFAOYSA-N 322.162 2.104 0 40 DEAB Cc1cnc(CN(CCN2CCOCC2)c2ccccc2)cn1 79015706 VDYZMYHXYFUIAP-UHFFFAOYSA-N 312.417 2.124 0 40 DEAB CC(C)CCN1CCC(CNC(=O)N2CCOC[C@@H]2C)CC1 84715347 FFZNVXXWLWTAAR-HNNXBMFYSA-N 311.470 2.175 0 40 DEAB CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccnn2C)cc1 95420178 OPPCBBMPOZRWOC-GFCCVEGCSA-N 322.434 2.033 0 40 DEAB Cc1cc(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)on1 95451071 YPMFZJXCXWVOLD-UHFFFAOYSA-N 300.293 2.238 0 40 DEAB COc1ccc(CN(C)C(=O)CCCc2nc(C)no2)cc1O 79109876 PIGYDPXXUGPUQT-UHFFFAOYSA-N 319.361 2.074 0 40 DEAB C[C@H]1CO[C@H](CO)CN1C(=O)[C@@H](C)c1ccc(Cl)s1 95979136 RBNWDMGBZWSXGH-GUBZILKMSA-N 303.811 2.113 0 40 DEAB CC1CCC2(CC1)OC[C@@H](CN[C@@H](C(N)=O)c1ccccc1)O2 95990388 IQCPJOZVJMPGNB-WKPSDNRBSA-N 318.417 2.124 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)NCc3c(C)n[nH]c3C)CCO2)o1 95974305 LQVNICGWJCTZEL-HNNXBMFYSA-N 318.377 2.211 0 40 DEAB CC(=O)NC1(C(=O)N(C)Cc2c(C)noc2C)CCCCC1 95954201 ZZUKVUGHJMRPMI-UHFFFAOYSA-N 307.394 2.089 0 40 DEAB C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@H](c2nnn[nH]2)C1 95976990 KWTJAQQGHVISAR-STQMWFEESA-N 321.425 2.034 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@H](c3nncn3C)C2)o1 89652405 NXUVIBMIINYAAE-STQMWFEESA-N 317.393 2.367 0 40 DEAB CC(C)n1ncc2cc(NC(=O)NC[C@@H]3CCCO3)cnc21 61353562 SANDNUSOVXDFDH-ZDUSSCGKSA-N 303.366 2.313 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(SC)c1 32978805 OAZGFRFYEFXOGR-LLVKDONJSA-N 313.448 2.137 0 40 DEAB CCN(Cc1nc(O)c2ccccc2n1)C(=O)c1ccc(C)nn1 1521901791 RMMXKUDROAHQSV-UHFFFAOYSA-N 323.356 2.096 0 40 DEAB CCC12CN3CC(C)(CN(C1)C3[C@@H]1CCOC(C)(C)C1)C2=O 32123982 FAIWTICMJBTPRQ-AIKJXGDASA-N 306.450 2.134 0 40 DEAB biogenic O=C([C@@H]1C[C@H]1c1ccsc1)N1CCC(Cn2cncn2)CC1 529078409 YJOUYTITGDAMJU-LSDHHAIUSA-N 316.430 2.382 0 40 DEAB CC(=O)N1CCC[C@H](c2nc(C)cc(Nc3ncccn3)n2)C1 72359974 OFQLGKCCUSAUAL-ZDUSSCGKSA-N 312.377 2.045 0 40 DEAB C[C@@H]1COC2(CCN(C(=O)c3cc4ccccn4c3)CC2)O1 73855969 SMFZTYSOWQTWJA-CYBMUJFWSA-N 300.358 2.307 0 40 DEAB CC[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCOCC1 127584172 UEHDJJZDMRHOEE-XQQFMLRXSA-N 322.371 2.335 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2Nc1nc(N)nc2[nH]ncc12 32598297 BRJFEBPZWIPUEG-CYBMUJFWSA-N 310.361 2.433 0 40 DEAB CN1CCN(S(=O)(=O)c2cccs2)[C@H](c2ccccc2)C1 38312530 BVBNEOITENALDF-AWEZNQCLSA-N 322.455 2.426 0 40 DEAB COc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1 72390797 QOIUNUGGCSTIRN-GOSISDBHSA-N 324.428 2.468 0 40 DEAB O=C(c1cc2c([nH]c3ccccc32)c(=O)s1)N1CCOCC1 1565524434 GWRHYWRKDSVJTM-UHFFFAOYSA-N 314.366 2.215 0 40 DEAB O=C(C[C@@H]1CCCc2ccccc21)NC[C@H]1CCS(=O)(=O)C1 78666093 HDTXEONHHFOTJY-HIFRSBDPSA-N 321.442 2.048 0 40 DEAB Ic1ccc(OC[C@H]2CCNC2)cc1 42772993 CMWZJTZJGLOXNZ-VIFPVBQESA-N 303.143 2.280 0 40 DEAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)CCn2nccc2C)C1 72385627 MQNCCESYGBENLT-AWEZNQCLSA-N 301.394 2.019 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@H](N)C[C@@H]1C 521394648 SQCGNJBWTGJDHC-WFASDCNBSA-N 306.454 2.037 0 40 DEAB O=C(NCCN1CCCCC1)c1ccc2[nH]c(Cl)nc2c1 225975619 AZOLNSPSDYKHHB-UHFFFAOYSA-N 306.797 2.432 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NC1CCSCC1)O2 40779301 BRQYHNZDXLDKJZ-MRXNPFEDSA-N 320.414 2.096 0 40 DEAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1csnn1 88201431 PUZGVWHKRAUCHN-GFCCVEGCSA-N 302.403 2.409 0 40 DEAB CSc1cncc(N2CC[C@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 195566585 FZVYJSFIGMSCCZ-AAEUAGOBSA-N 318.446 2.178 0 40 DEAB COCCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 41466430 FTVNWVRXRINWCK-UHFFFAOYSA-N 307.419 2.136 0 40 DEAB O=C(Cc1ccccc1)NCc1ccnc(N2CCCCC2)n1 224207124 YERZHUSPKHMEHN-UHFFFAOYSA-N 310.401 2.326 0 40 DEAB OCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1 86254452 PZACWMSQWMYVTN-UHFFFAOYSA-N 316.401 2.341 0 40 DEAB C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)CS(C)(=O)=O 95439537 DWKQLVXIJDVBFP-RJCSOLBVSA-N 315.822 2.293 0 40 DEAB O=C(c1ccco1)N1CCC[C@]2(CCN(c3nncs3)C2)C1 96071618 QUHSDFFJWDXCGT-HNNXBMFYSA-N 318.402 2.264 0 40 DEAB CCc1ccccc1NC(=O)C(=O)NCCc1cccc(O)c1 96413563 PXDQECUBZHXBCI-UHFFFAOYSA-N 312.369 2.252 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2ccco2)CCO1 92018160 GJZIIYRTULAXMM-OCCSQVGLSA-N 310.394 2.394 0 40 DEAB Cc1nnc(N2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ccccn2)s1 96041881 UDGYXPMIGYGTBY-OUCADQQQSA-N 318.402 2.057 0 40 DEAB Cc1ccccc1N1C[C@@]2(CCN(C(=O)N(C)C)C2)CC1=O 96238641 JSDNNBOUBYZMPS-KRWDZBQOSA-N 301.390 2.105 0 40 DEAB c1cnc(N2CC3(C[C@H](OCC4CCCC4)CCO3)C2)nc1 247971243 UTKSHWQEPZKPKU-OAHLLOKOSA-N 303.406 2.421 0 40 DEAB CC(C)Oc1ccc([C@H]2CNCCN2Cc2c[nH]cn2)cc1 257204546 AVCKOSBADKTXKY-QGZVFWFLSA-N 300.406 2.343 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCNC[C@H]1c1ccccc1 257339839 ZDLFXPSYMBCHIV-INIZCTEOSA-N 308.385 2.141 0 40 DEAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccccc1Cl 257207716 BIXMYVOVRWREOY-MRXNPFEDSA-N 316.792 2.107 0 40 DEAB CCc1noc(CCC(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)n1 257338975 YZRABBPNWUWSCM-XNJGSVPQSA-N 321.421 2.371 0 40 DEAB COCC1=CCN(C(=O)N[C@H]2CCc3c(O)cccc32)CC1 274971966 TWVVHQGJOHUVLX-HNNXBMFYSA-N 302.374 2.368 0 40 DEAB O=C(Cn1cccn1)N1CCC(Oc2ccncc2Cl)CC1 390827064 SWJQBSDZWXQHCL-UHFFFAOYSA-N 320.780 2.002 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCN(C(=O)c2ccncc2)C1 585274696 MDCIPXBSVSHUKV-GOSISDBHSA-N 312.369 2.046 0 40 DEAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 51443379 OORUEJWARXUEFB-OAHLLOKOSA-N 317.433 2.131 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1cccnc1-n1ccnc1C 57222430 YBYVNJNUJMOSKR-UHFFFAOYSA-N 324.388 2.107 0 40 DEAB O=C(CN1CCCC[C@@H]1Cc1ccccc1)NC[C@@H]1CCOC1 69453466 NJMNOHWPPFOYDF-ZWKOTPCHSA-N 316.445 2.236 0 40 DEAB C[C@H](NC(N)=O)C(=O)Nc1ccc(NC2CCCCC2)cc1 69737245 JWZUHWQTVRKTNU-NSHDSACASA-N 304.394 2.427 0 40 DEAB COc1ccc(F)cc1COC(=O)CNC(=O)c1ccccc1 5715683 XIULZRMIVSUPPQ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cc1ccc(/C=c2\sc3nnc(Cc4ccccc4)n3c2=O)o1 13547526 LNZVFWWAXFTUIJ-UVTDQMKNSA-N 323.377 2.191 0 40 DEAB Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)c1 16900974 CEIZVLRLMVZATF-OAHLLOKOSA-N 324.336 2.437 0 40 DEAB CCCCC(=O)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 19502098 OLBVPFFIUGWWLX-UHFFFAOYSA-N 311.385 2.484 0 40 DEAB COC[C@@](C)(CNC(=O)c1cccc(Br)c1)OC 575611351 FBEPXBNMKMCIAC-CYBMUJFWSA-N 316.195 2.230 0 40 DEAB O=C([C@@H]1CN(CCCc2ccccc2)CCO1)N1CCCCC1 1888870104 RLVPVXGXRCYLGU-SFHVURJKSA-N 316.445 2.333 0 40 DEAB COc1ccc(C(=O)N2CC(Cn3cc(C)cn3)C2)cc1F 1848599908 GUYDYFKQTVBKJJ-UHFFFAOYSA-N 303.337 2.111 0 40 DEAB Cc1cc(CN2CCC3(CC2)CC(NC(=O)C2(C)CC2)C3)n[nH]1 1565541887 JAGBQGJAWSMQFC-UHFFFAOYSA-N 316.449 2.379 0 40 DEAB O=C(Nc1ccc2c(c1)N(C(=O)[C@H]1CCCO1)CC2)C1CC1 13695574 WWAGBBRRGDEFQY-OAHLLOKOSA-N 300.358 2.103 0 40 DEAB CCCCNC(=O)Cn1cnc(-c2ccc(Cl)cc2)cc1=O 23230908 IDNIWILXQMEUJU-UHFFFAOYSA-N 319.792 2.480 0 40 DEAB O=C([C@H]1CN(c2nc3ccccc3s2)CCO1)N1CCCC1 2070387104 CQFBCYTUFZFADA-CYBMUJFWSA-N 317.414 2.124 0 40 DEAB Cc1nn(CCNC(=O)[C@H]2CCOC2)c(C)c1-c1ccsc1 575615391 OMKUAUBGZVDHTA-ZDUSSCGKSA-N 319.430 2.381 0 40 DEAB Cc1csc(C(=O)N2CCN(C[C@@H](O)c3ccco3)CC2)c1 85436784 XMZRYHCRUMCSSV-CYBMUJFWSA-N 320.414 2.141 0 40 DEAB C[C@@H]1Oc2ccccc2N(CCC(=O)Nc2ccccn2)C1=O 40475401 YWNGKVJDXJPJIN-LBPRGKRZSA-N 311.341 2.224 0 40 DEAB O=C(Cn1cccn1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 40475988 WSGKMNIWJAXDKV-CQSZACIVSA-N 313.357 2.018 0 40 DEAB O=C(C1CC1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 269778 APOIGZGQSRZXRJ-ZDUSSCGKSA-N 316.254 2.423 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@@H](C)n2cnc3ccccc32)c(=O)[nH]1 36834438 YBWBWVIRWGGRES-CYBMUJFWSA-N 324.384 2.219 0 40 DEAB COc1nc(C)nc(NC(=O)COc2ccc(Cl)cc2C)n1 807705 CFIWRGSXQFHUSZ-UHFFFAOYSA-N 322.752 2.168 0 40 DEAB Cc1ccc(S(=O)(=O)NCCN2CCC[C@@H](C)C2)cc1C 46035129 YUIQAHYRLMEHMZ-CYBMUJFWSA-N 310.463 2.314 0 40 DEAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)Nc1ccc2cc[nH]c2c1 101628027 WZRNWJPIVBYLOH-FPMFFAJLSA-N 309.369 2.435 0 40 DEAB CSc1ccccc1C(=O)NCCNC(=O)c1ccco1 32908612 HOBJHJQKXIJPLG-UHFFFAOYSA-N 304.371 2.161 0 40 DEAB CNC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 29839443 HWBCMZPIIHHJQI-JTQLQIEISA-N 302.403 2.371 0 40 DEAB CC(=O)O[C@@H]1CCn2c1nc1ccc(Br)cc1c2=O 517840 SGOGBAUHLIOTAR-LLVKDONJSA-N 323.146 2.167 0 40 DEAB biogenic CCN1CCN(CC(=O)c2ccccc2Br)CC1 22038653 AFTUROLTUQNRKQ-UHFFFAOYSA-N 311.223 2.269 0 40 DEAB CC(C)(C)c1n[nH]c(SCc2cc(=O)n3ccsc3n2)n1 12256586 PYEPPCYRCODIBG-UHFFFAOYSA-N 321.431 2.464 0 40 DEAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)CCc2ccco2)C1 46975528 SFHIIVJBGBKGIA-AWEZNQCLSA-N 306.406 2.223 0 40 DEAB O=C(Cc1cccs1)NCCOc1ccc2c(c1)OCO2 22480466 PFARVDFWXBSXCT-UHFFFAOYSA-N 305.355 2.215 0 40 DEAB CS(=O)(=O)NC(=O)CCc1ccc(-c2ccccc2F)o1 42279345 LKHWROQXPVMDIL-UHFFFAOYSA-N 311.334 2.094 0 40 DEAB C[C@@H](O)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)O 37407216 MEORQPXWSFVHNN-LHLIQPBNSA-N 313.762 2.119 0 40 DEAB COc1ccc(CCC(=O)NCc2ccccn2)cc1OC 28875169 GIJSXVPARQATMZ-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB CC[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N(C)C)CCO1 43143504 VVZIKUFPJWVPES-CHWSQXEVSA-N 311.451 2.171 0 40 DEAB COc1ccc2nc(C)c(CN3CCN(C)CC3)c(O)c2c1 19791926 DIZNOUSDMRKKNL-UHFFFAOYSA-N 301.390 2.005 0 40 DEAB O=C(Cn1cnc2ccsc2c1=O)NCCC1=CCCCC1 26017933 UEQGIZLSVWVERR-UHFFFAOYSA-N 317.414 2.465 0 40 DEAB Cc1csc(-c2cccc(NC(=O)[C@@H]3CCC(=O)N3)c2)n1 69744106 FTHYFQFGCSIYIW-LBPRGKRZSA-N 301.371 2.336 0 40 DEAB CCOCc1nnc(NC(=O)c2c(OC)cccc2OC)s1 2191246 FEUSSPSFRWXZHT-UHFFFAOYSA-N 323.374 2.344 0 40 DEAB Cc1ncc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)s1 44972277 OPHTYTUQDJNVSU-UHFFFAOYSA-N 300.387 2.320 0 40 DEAB COc1cccc(-n2nnc(C(=O)N3CCC[C@@H](C)C3)c2C)c1 44918094 IXACBUKLNGXLCN-GFCCVEGCSA-N 314.389 2.456 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)NCC(C)(C)c2ccccc2F)C1 58342083 MREYTIAMCURZDN-AWEZNQCLSA-N 320.408 2.478 0 40 DEAB C[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)N(C)C 2260637 LDRPGXUQWKETBH-QMMMGPOBSA-N 320.172 2.392 0 40 DEAB Cc1ccc(OC[C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 67433282 CASARCMJDNGJKO-LLVKDONJSA-N 324.402 2.346 0 40 DEAB CC(C)CNC(=O)NC(=O)CN(Cc1ccccc1)C(C)C 10930030 BZMQIGQWQLWEEK-UHFFFAOYSA-N 305.422 2.379 0 40 DEAB CCOc1cc(CNC[C@H]2CN(C3CC3)CCO2)ccc1OC 69584855 FJKWLWXLLAFVLB-INIZCTEOSA-N 320.433 2.047 0 40 DEAB Cc1ccc(CNC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cn1 65415616 RUBPWRQOZYQZNW-GFCCVEGCSA-N 324.384 2.445 0 40 DEAB O=C1[C@H]2N=NN(Cc3ccccc3F)[C@H]2C(=O)N1c1ccccc1 4483591 PRAVLKKYGBQKRR-LSDHHAIUSA-N 324.315 2.319 0 40 DEAB CCN(CC)CCNC(=O)Nc1ccc(OCCOC)cc1 65541934 ASMAATICSGETLK-UHFFFAOYSA-N 309.410 2.175 0 40 DEAB Cc1nc(-c2ccc(CNc3ccc4nnnn4n3)o2)cs1 14235666 XCGPNBMZDBTHOR-UHFFFAOYSA-N 313.346 2.156 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14829104 FBMHOUATUPCUAF-RISCZKNCSA-N 308.403 2.066 0 40 DEAB NC(=O)CCN(C(=O)COc1ccccc1)c1ccc(F)cc1 8855866 GYXAKQGWRRMWLT-UHFFFAOYSA-N 316.332 2.113 0 40 DEAB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)ccc1C 7167140 OHNYGYKTBAMMEU-NSHDSACASA-N 318.329 2.484 0 40 DEAB C[C@@H](NC(=O)CSc1nnc(N)s1)c1cccs1 7535322 POLXQPOQQVBQER-ZCFIWIBFSA-N 300.434 2.151 0 40 DEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CN2CCCCC2)c1 7909233 AFZMOARHJMGCJR-UHFFFAOYSA-N 317.433 2.186 0 40 DEAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 8016984 PNGUPVXRLVRKDC-VIFPVBQESA-N 313.313 2.189 0 40 DEAB CC(=O)N1CCN(Cc2nc(-c3ccccc3Cl)no2)CC1 16699034 ZFKVNDKEPBNTQI-UHFFFAOYSA-N 320.780 2.054 0 40 DEAB CN1CC(=O)N(CC(=O)Nc2ccc(-c3ccccc3)cc2)C1=O 8156222 DUGKDCFBJGWNAZ-UHFFFAOYSA-N 323.352 2.186 0 40 DEAB O=S(=O)(c1ccc(Br)cn1)N1CCCCCC1 70018668 JZUITSCLTKSEOG-UHFFFAOYSA-N 319.224 2.409 0 40 DEAB CCO[C@H](CC)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69366809 NUOSXFSUWPUNBK-RHSMWYFYSA-N 320.433 2.453 0 40 DEAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ncccn2)CC1 69369314 WIOWDCXEBIGJFC-UHFFFAOYSA-N 306.366 2.062 0 40 DEAB C[C@@H](NC(=O)c1ccccc1N1CCOCC1)c1ccncc1 69381833 QJUAYDFOTRZZRT-CQSZACIVSA-N 311.385 2.409 0 40 DEAB CCOC(=O)c1sc([C@H](C)NC(=O)c2cccn2C)nc1C 96462272 AWRFQQMKNSRSTN-JTQLQIEISA-N 321.402 2.458 0 40 DEAB CC(C)(C)NCC(=O)Nc1cc(Cl)ccc1-n1cncn1 9577640 XUAHJDSNFJPVDS-UHFFFAOYSA-N 307.785 2.247 0 40 DEAB CN(C)C(=O)CNc1cccc(C[S@@](=O)c2ccccc2)c1 71913945 AXBJZBUQDXBEDD-QFIPXVFZSA-N 316.426 2.495 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1csc(Br)c1 89938412 SUXYYRZKVLCJMR-QMMMGPOBSA-N 303.225 2.287 0 40 DEAB O=C(COC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)c1ccc[nH]1 25104372 GYWGCMAYIQBCNT-AWEZNQCLSA-N 305.717 2.398 0 40 DEAB COC(=O)c1ccc(N(C)Cc2cc(F)c(F)c(F)c2)nn1 97037257 QKXGAYGCDRHTHY-UHFFFAOYSA-N 311.263 2.317 0 40 DEAB CCN1CC[C@@H](NC(=O)COC)[C@@H]1c1cc(F)c(F)c(F)c1 97083295 QLDVLKGMTFHHIX-DOMZBBRYSA-N 316.323 2.002 0 40 DEAB Cc1ccc(CNC(=O)c2ccon2)c(OC[C@H]2CCOC2)c1 87455430 YYKWLUAHZPPSNF-ZDUSSCGKSA-N 316.357 2.328 0 40 DEAB Oc1nc(SCCc2ccc3c(c2)CCO3)nc2n[nH]cc12 97166077 PRCOBYXOMLJKBU-UHFFFAOYSA-N 314.370 2.328 0 40 DEAB COC(=O)C(C)(C)[C@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 97235580 ROELRBSYKQGJHT-ZDUSSCGKSA-N 323.437 2.148 0 40 DEAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)c1ccco1 97238338 YLXHHRVKCOQUNE-INIZCTEOSA-N 314.385 2.166 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2COc3ccccc3C2)no1 76043058 SZIYKEVMWBMQCV-UONOGXRCSA-N 313.357 2.293 0 40 DEAB CSc1ccc(O[C@H](C)C(=O)N2CCC[C@H](C(=O)O)C2)cc1 95424098 CFUHWUBLKJTOGF-NEPJUHHUSA-N 323.414 2.499 0 40 DEAB O=C(NCc1ccon1)[C@@H](O)c1cc(Cl)cc(Cl)c1 95450560 PQJGVBNVIPLBJA-NSHDSACASA-N 301.129 2.331 0 40 DEAB CCN1CC(=O)Nc2cc(C(=O)OCc3nccs3)ccc21 95444865 YMZRQDMISNWJEI-UHFFFAOYSA-N 317.370 2.279 0 40 DEAB Cc1cccc2nc(CNc3cnn(C)c(=O)c3Cl)n(C)c12 95970995 GQUUOIORMMNLSG-UHFFFAOYSA-N 317.780 2.241 0 40 DEAB COC(=O)C1CCC(NC(=O)CO[C@@H]2CCC[C@@H](C)C2)CC1 95958843 YWGIJDGHXQBWAH-XSCHDIRWSA-N 311.422 2.430 0 40 DEAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@@H]1c1nc[nH]n1 95989290 MYHZDSZFTUAFAI-LLVKDONJSA-N 313.317 2.420 0 40 DEAB CC(C)n1cnc(S(=O)(=O)N[C@H](C)Cc2ccsc2)c1 95973676 WUJMYBYCRBDNRK-LLVKDONJSA-N 313.448 2.435 0 40 DEAB COc1ccc(-n2nnnc2SCCc2cccnc2)cc1 95959607 LEBZAVGOOXMBHS-UHFFFAOYSA-N 313.386 2.401 0 40 DEAB CCCCCNC(=O)N(CCCC)[C@H]1CCS(=O)(=O)C1 89487609 VUCBVXYCSAKSHB-ZDUSSCGKSA-N 304.456 2.175 0 40 DEAB C[C@@H](C(=O)O)n1ncc(I)c1C(F)F 408716475 NMYDLNZNPOFLLY-VKHMYHEASA-N 316.045 2.071 0 40 DEAB CC(C)CN1CCO[C@H](COC(=O)c2ccncc2Cl)C1 75029730 KFUPMFDFENCFQH-LBPRGKRZSA-N 312.797 2.249 0 40 DEAB COc1ccc(CNC(=O)NCCc2nc(C)c(C)s2)cn1 89559394 CIAXJUXGNTWNEP-UHFFFAOYSA-N 320.418 2.205 0 40 DEAB O=C1C[C@@H](C(=O)NCc2ccc(C(=O)O)cc2)c2ccccc2N1 75125334 ZSJROYUJIQSIJU-CQSZACIVSA-N 324.336 2.127 0 40 DEAB CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1ncccn1 1548521819 PPLJZNVRVCJUPA-VIFPVBQESA-N 312.299 2.144 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CO2 32731534 XZONFOOPSYVHDO-NSHDSACASA-N 314.341 2.362 0 40 DEAB CO[C@@H]1CCC[C@@H]1OC(=O)c1ccc(N2CCOC2=O)cc1 78985655 XLDWCGRGNWXXPB-KGLIPLIRSA-N 305.330 2.368 0 40 DEAB O=C(O)CCc1cnc(COc2cccc(Cl)c2)[nH]c1=O 223442935 YKPJAAGMIPONFC-UHFFFAOYSA-N 308.721 2.020 0 40 DEAB CON(C)C(=O)C(=O)Nc1ccc(Br)c(Cl)c1 134723805 XVBIOBBGOSGOCW-UHFFFAOYSA-N 321.558 2.061 0 40 DEAB COCCN(Cc1ccccn1)C(=O)c1ccc(O)cc1F 195569761 ABGUNTQDIYGIDB-UHFFFAOYSA-N 304.321 2.215 0 40 DEAB Cc1cc(C(=O)O)c(=O)n(Cc2ccc(Br)cc2)n1 225961604 XECHSNWVGNRLPU-UHFFFAOYSA-N 323.146 2.061 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 40159826 TXEASYNZKASMRV-YLVFBTJISA-N 316.426 2.418 0 40 DEAB c1cnc(OC[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)nc1 96249997 OVDXPQXHVQTEKD-BPUTZDHNSA-N 315.373 2.128 0 40 DEAB CC1(C)[C@@H](OC(=O)CCc2nc(C3CC3)no2)[C@@H]2CCO[C@H]21 96442410 YCWBJMAPRCRKJQ-HONMWMINSA-N 306.362 2.236 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)c1ccc(C(F)(F)F)cc1 96442193 HNXYGFREBNWILT-NSHDSACASA-N 316.279 2.405 0 40 DEAB COc1ccc(CCNC(=O)C(C)(C)C)c(C(=O)O)c1OC 95470421 HTNVXYJIDMOGHR-UHFFFAOYSA-N 309.362 2.107 0 40 DEAB NC(=O)NC1CCN(Cc2cc(C(F)(F)F)ccc2F)CC1 93051627 WEBABRJGQDIIPJ-UHFFFAOYSA-N 319.302 2.477 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CC[C@H]2[C@H]1CCN2CC1CC1 96184421 URATZVFTBRYDPG-DLBZAZTESA-N 302.393 2.453 0 40 DEAB CC(C)[C@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1 96432285 JZRZBZNLFGLICB-CQSZACIVSA-N 316.430 2.481 0 40 DEAB O=C(NCCc1cc(F)ccc1F)N1CC[C@@H](N2CCCC2)C1 96447368 GZFICNMRJVMOAY-OAHLLOKOSA-N 323.387 2.387 0 40 DEAB CCO[C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1Cc1ccccc1 96069915 BVWIQNNJNSXEIT-YESZJQIVSA-N 303.402 2.414 0 40 DEAB CCCNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 243250087 KPDGEVYQRTWBBP-UHFFFAOYSA-N 312.435 2.102 0 40 DEAB Nc1nccnc1C[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 257304577 SMHJFULCKGSAPJ-LBPRGKRZSA-N 316.430 2.144 0 40 DEAB CCOC(=O)[C@H]1CN(N2CCCC2)c2cc(F)c(F)cc2C1=O 255189491 QESBKAMKJZHTEZ-NSHDSACASA-N 324.327 2.158 0 40 DEAB O=C(O)c1ccccc1CNCc1ccnn1CC(F)(F)F 256051156 HZLIEDKMYVAIGR-UHFFFAOYSA-N 313.279 2.433 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)ccn1 257327132 XABQPDGHOVFHSN-ZDUSSCGKSA-N 319.796 2.337 0 40 DEAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 62119998 ACWCJSDVHUWSML-SSDOTTSWSA-N 324.185 2.089 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 257207551 BIGJUAYEXFSVSL-CQSZACIVSA-N 323.400 2.472 0 40 DEAB O=C(O)CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)CCC2 540707140 VLTRZRGOXJAHKP-MRXNPFEDSA-N 317.385 2.271 0 40 DEAB O=C(c1ccncc1)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585273345 CECKEFKDEDJSQS-WBVHZDCISA-N 314.360 2.286 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NCc1cccnc1 43832442 ATGIUMFPTFQKGY-UHFFFAOYSA-N 319.386 2.115 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N(CC(N)=O)C1CCCC1 47236513 KYFBUPCUCYJCGR-VAWYXSNFSA-N 316.401 2.355 0 40 DEAB CCCc1noc([C@H](C)N2CCC(CN3CCOCC3)CC2)n1 51959570 OUQWMYIKBHIWOV-AWEZNQCLSA-N 322.453 2.127 0 40 DEAB Cc1n[nH]c2ncc(C(=O)N3CCN(CCC(C)C)CC3)cc12 57172470 GVSRIIUQAOHOLN-UHFFFAOYSA-N 315.421 2.070 0 40 DEAB CCN(CC)CCNC(=O)C1(c2cccc(F)c2)CCOCC1 57179445 UDQOWVZSWRAHFC-UHFFFAOYSA-N 322.424 2.332 0 40 DEAB C[C@@H]1CCCCN1CCNCc1ccccc1N1CCOCC1 66972602 PLJIIYWLPPXIRH-QGZVFWFLSA-N 317.477 2.487 0 40 DEAB CCO[C@H](C)c1noc(CNc2c(C)cccc2C(N)=O)n1 85280115 AXRYNKQVZTXPPN-SNVBAGLBSA-N 304.350 2.187 0 40 DEAB C[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(Sc2nc[nH]n2)o1 72324693 UVXMCCQSGADFPI-NEPJUHHUSA-N 319.434 2.217 0 40 DEAB C[C@H](NC(=O)CS[C@@H]1CCc2c(F)cccc21)C(=O)N(C)C 95418071 SIZJUDDJUYVQAD-IINYFYTJSA-N 324.421 2.139 0 40 DEAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1OC 13331769 MGJQMEAQZZRVME-OJXGSEEGSA-N 313.353 2.405 0 40 DEAB Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)n(C)n1 9122513 NPEMAYLQZDGFFF-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB CC[C@@H](C)NC(=O)Cn1c(C2CCNCC2)cc2cccnc21 12222082 WGKJSUKTUXSOAY-CYBMUJFWSA-N 314.433 2.418 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)N[C@@H](C)c1ccccc1 2154497 HTPMWHOCBCQXOD-AAEUAGOBSA-N 310.419 2.342 0 40 DEAB biogenic COc1ccc(-c2nnc(CN3C[C@H](C)O[C@H](C)C3)o2)cc1 40477263 DFGHWRLSNQHXSU-TXEJJXNPSA-N 303.362 2.354 0 40 DEAB Cc1nn(Cc2c(C(=O)O)noc2C)c(C)c1Br 20315334 WBKJPWVSEIDKLB-UHFFFAOYSA-N 314.139 2.305 0 40 DEAB O=C(/C=C/c1cccc(Cl)c1)NCCCN1CCOCC1 20437100 JBGZCNUHKYGYQR-AATRIKPKSA-N 308.809 2.192 0 40 DEAB O=C(Nc1ccccc1)c1cn(-c2ccc3c(c2)OCCO3)nn1 31872217 OWFVWEJWUFFUOY-UHFFFAOYSA-N 322.324 2.291 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)N1CCc2ccccc21 101286360 SAUZXUNTWRNGJU-VZSXATARSA-N 309.365 2.345 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NCC(C)C)c1 3364263 VXFWBKJJZLXMIA-VMPITWQZSA-N 321.373 2.032 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc2c(c1)OCO2 4174778 WHGLHSHSJOVYAE-VQSQSKOLSA-N 303.314 2.101 0 40 DEAB C[C@@H](NCC(C)(C)CN(C)C)C(=O)NCCc1ccc(F)cc1 7015263 IGYUBPDFDWHIHY-CQSZACIVSA-N 323.456 2.050 0 40 DEAB O=C(CN1CCc2[nH]c3ccccc3c2C1)NCc1ccco1 69630838 OCMMKOXIVMXCQH-UHFFFAOYSA-N 309.369 2.435 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101404405 BQRGRFVNKPCPFP-RYUDHWBXSA-N 300.383 2.169 0 40 DEAB CCOCCO[C@H](C)C(=O)N[C@H]1CCCOc2ccccc21 69420843 SUDBYTLPGXCXCU-HIFRSBDPSA-N 307.390 2.458 0 40 DEAB COc1cc(NC(=S)NC[C@H]2CCCN(C)C2)cc(OC)c1 9876258 MEIFMNVYEAYJOR-GFCCVEGCSA-N 323.462 2.332 0 40 DEAB COc1ccc(CN[C@@H]2CCS(=O)(=O)C2)c2ccccc12 42186743 HTPLCLVXCKJPJR-CYBMUJFWSA-N 305.399 2.125 0 40 DEAB Cn1ccs/c1=N/C(=O)[C@H]1CCCN1Cc1ccccc1 104190008 FADNRABTBRPOPZ-UVTIVQHFSA-N 301.415 2.179 0 40 DEAB Cc1nn(C[C@@H](O)COc2ccccc2)c(=O)c2ccccc12 42755744 RTMYKGMFEBPVAF-CQSZACIVSA-N 310.353 2.145 0 40 DEAB O=C(NCCn1ccnc1)c1cc(-c2cccc(Cl)c2)[nH]n1 42720697 LHKKSZKHSQJCHR-UHFFFAOYSA-N 315.764 2.357 0 40 DEAB O[C@H](COc1ccccc1)CN1CCN(CC2CCCC2)CC1 69771718 VRXBIROEXJRQLD-SFHVURJKSA-N 318.461 2.234 0 40 DEAB C[C@H]1CN(C(=O)Nc2nnc(Cc3ccccc3)s2)CCO1 43370688 MQDCHRKOTOEEAX-NSHDSACASA-N 318.402 2.382 0 40 DEAB Cc1ccc(C(=O)N2CCO[C@H]3CC[C@H]2[C@@H]3OCC2CC2)cn1 107125131 NADFESQIKGZLLP-ULQDDVLXSA-N 316.401 2.189 0 40 DEAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCOCC1 26067120 COHAKNBUDBBNEX-UHFFFAOYSA-N 320.370 2.374 0 40 DEAB COC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cccc(OC)c1 12778528 YGVYDMRKNVVVNJ-FEAKQIBJSA-N 303.358 2.263 0 40 DEAB O=C(NCc1ccccc1-n1cccn1)[C@@H]1Cc2ccccc2O1 58289292 YGFVXRCDPWGTBR-SFHVURJKSA-N 319.364 2.492 0 40 DEAB COc1ncccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44954523 LKSXFVFINCXYOB-LBPRGKRZSA-N 311.341 2.082 0 40 DEAB COc1ccc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)cc1 58342837 XVVZNIKWUGJOPA-ZDUSSCGKSA-N 321.398 2.271 0 40 DEAB Cc1cc(-n2c(C)cn(CN(C)Cc3ccccc3)c2=O)no1 58378230 VAJDUAUVLLGYCZ-UHFFFAOYSA-N 312.373 2.333 0 40 DEAB C[C@H](C(=O)Nc1nccs1)N1CCC(c2ccnn2C)CC1 58329885 XAGKSOSGQLDBFF-LLVKDONJSA-N 319.434 2.083 0 40 DEAB COc1cc(CNC(=O)c2ccc(-n3cccn3)cc2)ccn1 48264989 ABPTVBSMPMDEOY-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CCn1ccnc1SCC1=NS(=O)(=O)c2ccccc2N1 69566099 OGUXVJYIBZJPCG-UHFFFAOYSA-N 322.415 2.208 0 40 DEAB O=C1CN(c2ccccc2)C(=O)N1Cc1noc(-c2ccco2)n1 39563669 HTFMFHCIFBYZOK-UHFFFAOYSA-N 324.296 2.298 0 40 DEAB C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)NCc1ccco1 6354604 ADEJLRYUYUSCMS-VIFPVBQESA-N 309.268 2.420 0 40 DEAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1 8877442 IUANJMOMVUWUTD-AWEZNQCLSA-N 310.419 2.173 0 40 DEAB Cc1nc(Cc2nnc(SCC(=O)NC(C)C)o2)cs1 5832995 JOWJQKKDJFBRSK-UHFFFAOYSA-N 312.420 2.042 0 40 DEAB CN(Cc1ccco1)S(=O)(=O)c1cccc2nsnc12 19079075 DJCBMMHLGDTCAM-UHFFFAOYSA-N 309.372 2.105 0 40 DEAB Cc1cccc2nc(COC(=O)Cc3ccsc3)cc(=O)n12 7130528 HTMDNXBPFFEQMI-UHFFFAOYSA-N 314.366 2.350 0 40 DEAB COc1ccc(Cl)cc1N1CC[C@@H](NCc2ncc[nH]2)C1 67696672 NBCLNWYTVSKUNF-GFCCVEGCSA-N 306.797 2.440 0 40 DEAB C[C@@H]1CN(C(=O)c2cc[nH]c2)[C@H](C)CN1C(=O)OC(C)(C)C 92988823 BRRKLGSGXHLLEK-VXGBXAGGSA-N 307.394 2.485 0 40 DEAB C[C@@H]1Oc2ccc(NS(=O)(=O)c3cccs3)cc2NC1=O 7729233 NZAQMSRUHDPIMM-QMMMGPOBSA-N 324.383 2.268 0 40 DEAB Cn1cc(C(=O)N2CCN(c3ccccc3Cl)CC2)cn1 8077137 PFMIXJFDJMOQNA-UHFFFAOYSA-N 304.781 2.036 0 40 DEAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccccn1 9187433 FIADEUKGJRWFLX-UHFFFAOYSA-N 308.341 2.210 0 40 DEAB CCOC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 8228365 CDBUYLKIYBVYCW-CQSZACIVSA-N 311.403 2.101 0 40 DEAB CCOc1ccc(S(=O)(=O)N(CC)Cc2ccoc2)cn1 96005781 VKZNGWXMDBWHSO-UHFFFAOYSA-N 310.375 2.284 0 40 DEAB CCc1ccc(-c2n[nH]c(SCC(=O)N3CCC3)n2)cc1 71798354 CFXBJZOKJAJNCZ-UHFFFAOYSA-N 302.403 2.359 0 40 DEAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)on1 71835181 YUYDJEYEBBEGSQ-CABCVRRESA-N 315.373 2.024 0 40 DEAB CN(CCSc1nnnn1CC(F)(F)F)c1ccccc1 83861066 UMWAXYHPXJPWFP-UHFFFAOYSA-N 317.340 2.464 0 40 DEAB CCCc1cc(N[C@H](c2n[nH]c(C)n2)C(C)C)n2ncnc2n1 71922394 VKHHDNLLFZAQBG-ZDUSSCGKSA-N 314.397 2.313 0 40 DEAB O=c1[nH]c(SC[C@H]2OCCc3ccccc32)nc2[nH]ncc12 72286191 MFFCRCYSTUCSDH-GFCCVEGCSA-N 314.370 2.052 0 40 DEAB CCCC(O)(CCC)CNC(=O)C(=O)Nc1cccc(F)c1 72292107 PCHPOFRKZLMXGU-UHFFFAOYSA-N 310.369 2.212 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@H]1c1c(F)cccc1F 72286449 KXTKAQJBOFSQGP-UTUOFQBUSA-N 317.339 2.396 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc[nH]c1=O 72234200 POIOSFIEYYIBSW-LLVKDONJSA-N 320.780 2.048 0 40 DEAB Cc1ccc([C@H](NC(=O)CN2CC(n3cccn3)C2)C2CC2)cc1 72267681 ACZGGFAHJNUKFH-IBGZPJMESA-N 324.428 2.316 0 40 DEAB CSC[C@@](C)(O)CN[C@H](C)CC(=O)Nc1ccc(F)cc1 97017023 OIDKATXVOUGXFU-ABAIWWIYSA-N 314.426 2.246 0 40 DEAB Cc1cccc([C@H](C)CNC(=O)N2CCC3(C2)OCCO3)c1 84210668 PFCLVJZXIQYWIV-CQSZACIVSA-N 304.390 2.257 0 40 DEAB O=C(NC1CC1)[C@@H](NC[C@@H]1CCCn2ccnc21)c1ccccc1 84519367 PKWDMPYYTJIQRQ-RDJZCZTQSA-N 324.428 2.370 0 40 DEAB CCCCS(=O)(=O)N1CCC(C(=O)OCC(C)(C)C)CC1 78442784 HZZOQMHYDRFTKA-UHFFFAOYSA-N 319.467 2.418 0 40 DEAB Cc1ocnc1C(=O)Nc1ccccc1N1CCC(CO)CC1 95447776 MSPUFMXLVKOFOO-UHFFFAOYSA-N 315.373 2.444 0 40 DEAB CN1CC[C@H](NC(=O)c2cc[nH]n2)[C@@H]1c1ccc(Cl)c(F)c1 95437864 ILCHTSUMNADAPR-JSGCOSHPSA-N 322.771 2.377 0 40 DEAB CC(C)(C)c1ccc([C@@H](O)CNC(=O)CCn2cccn2)cc1 95417425 YXGYSNHTKOROMX-INIZCTEOSA-N 315.417 2.421 0 40 DEAB COc1cccc([C@H](O)C(=O)N2CCc3ccc(F)cc3C2)c1 95979548 ICRQRQWWJOSCES-KRWDZBQOSA-N 315.344 2.453 0 40 DEAB Cc1ccccc1[C@@H](NCCN1C(=O)CNC1=O)C(C)(C)C 95985504 DVLUVVWVNSFZKT-OAHLLOKOSA-N 303.406 2.224 0 40 DEAB COC(=O)CC1(NC(=O)c2ccc(Cl)cc2)CCN(C)CC1 79013346 HWDLEAWYBZINRK-UHFFFAOYSA-N 324.808 2.097 0 40 DEAB CC1(C)CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CCO1 75123235 HNKFXQPDNDMFNM-UHFFFAOYSA-N 319.283 2.036 0 40 DEAB Cc1ccc2c(c1)[C@@H](NC(=O)N(C)CCCn1ccnc1)CO2 89657367 VAKHLFPZXIRHBM-HNNXBMFYSA-N 314.389 2.357 0 40 DEAB Cn1cnnc1-c1cncc(NCc2cccc3c2OCO3)c1 89761956 ADBDMQCTKAJVTF-UHFFFAOYSA-N 309.329 2.218 0 40 DEAB O=C(Cc1ccccc1Cl)Nc1c[nH]nc1[C@H]1CCNC1 1549747004 QTGWWZLBYLTGNH-NSHDSACASA-N 304.781 2.321 0 40 DEAB Cn1nccc1[C@@H](CO)NCc1ccsc1C(F)(F)F 529601004 QLGYRBVVMCBUCD-SECBINFHSA-N 305.325 2.324 0 40 DEAB Cn1cc(C(=O)NCCCn2ncc3c(Cl)cccc32)cn1 71196070 BPMXNBLPSFSMIM-UHFFFAOYSA-N 317.780 2.243 0 40 DEAB COc1ccc(=O)n(Cc2sc(C)nc2C(F)(F)F)n1 194566120 OVJIITGJQIGZMQ-UHFFFAOYSA-N 305.281 2.084 0 40 DEAB COc1cccc(-c2cc(NC(=O)[C@H]3OCC[C@@H]3C)n(C)n2)c1 95447514 ZYMGEYGRJXCRGR-ZBEGNZNMSA-N 315.373 2.459 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCN(C(=O)c3ccc(O)cc3)C2)C1 96072051 KYDQHNVZKPDMTN-GUYCJALGSA-N 305.374 2.050 0 40 DEAB CC[C@H](CNC(=O)C1(O)CCOCC1)c1ccc(Cl)cc1 195567575 JHYWQFYZKRGGTK-GFCCVEGCSA-N 311.809 2.491 0 40 DEAB c1coc(CN2C[C@H]3OC[C@@H](COc4ccncc4)[C@H]3C2)c1 96220257 HRVYTPNHGOIXHC-KBRIMQKVSA-N 300.358 2.200 0 40 DEAB Cc1nccc([C@H]2C[C@H]3CN(Cc4cc(C)on4)CC[C@@H]3O2)n1 96070576 WGXPQNISCYNRCI-RRQGHBQHSA-N 314.389 2.434 0 40 DEAB CCNc1ccnc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 91351809 UMWDTOBAYFIQRE-NSHDSACASA-N 308.382 2.297 0 40 DEAB Cc1ccc(N2CCC[C@]3(CCN(C(=O)C4CC4)C3)C2)nn1 96217125 KOCKPUDHMUGCDJ-KRWDZBQOSA-N 300.406 2.014 0 40 DEAB CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1C[C@@H]1c1cc(F)ccc1F 96423605 JFNBDASMSKSCQF-ZLDLUXBVSA-N 324.371 2.345 0 40 DEAB Cc1ccc(CN2CCO[C@@H]3C[C@@H](C(=O)NCC4CC4)C[C@H]32)o1 96056701 WYUOGKKSSNNURJ-USXIJHARSA-N 318.417 2.094 0 40 DEAB COC(=O)[C@H](N[C@@H]1CCCOC1)c1ccc(Cl)c(F)c1 97102495 HPUUSPBICBILBY-ZWNOBZJWSA-N 301.745 2.462 0 40 DEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccco3)C2)c1F 244998664 KOTVUHPMEVRMBO-SNVBAGLBSA-N 305.309 2.065 0 40 DEAB CC(=O)N1CCO[C@@H](c2cccc(Nc3cc(C)on3)n2)C1 257203092 AOQWPMJIZBCJSY-CYBMUJFWSA-N 302.334 2.041 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)Cn3cc(Cl)cn3)CC[C@@]2(C)C1 257205953 BBFDBFOUZOBJAG-NFAWXSAZSA-N 311.813 2.343 0 40 DEAB Cc1ccnc(NCc2cn(-c3ccccc3C(=O)O)cn2)n1 257229874 FZVLMHSKIRXKLR-UHFFFAOYSA-N 309.329 2.281 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 257275851 NRFCXHXUDGAGDZ-QGZVFWFLSA-N 313.401 2.349 0 40 DEAB Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)O)c1 263030955 QVLAYBWOZIQFHT-HWWQOWPSSA-N 321.348 2.225 0 40 DEAB O=C(O)c1cn([C@H]2CCN(c3nc4ccccc4s3)C2)nn1 564841255 SFNSKRHUMMXPQB-VIFPVBQESA-N 315.358 2.037 0 40 DEAB COc1ccc(NC(=O)NCCCN(C)CC(F)(F)F)cn1 44950804 DFXJJRHCTBQGOG-UHFFFAOYSA-N 320.315 2.096 0 40 DEAB CC(C)NC(=O)CN(C)C(=O)c1c(Cl)c2ccccc2n1C 45064256 CQZFSNFGQHPIJN-UHFFFAOYSA-N 321.808 2.428 0 40 DEAB O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc[nH]c1=O 58203474 SWHHJXAESALJJE-ZBFHGGJFSA-N 312.369 2.273 0 40 DEAB O=C(CCc1ccccc1)Nc1ncn(Cc2ccccn2)n1 69516005 RFODGYYNTCFXFL-UHFFFAOYSA-N 307.357 2.293 0 40 DEAB O=C(NCCc1ccn(-c2ccccc2)n1)N1CCSCC1 69841584 GCBKYDSVNHCDHC-UHFFFAOYSA-N 316.430 2.173 0 40 DEAB COc1cccc(OC)c1C(=O)N1CCC(n2cccn2)CC1 82341006 VQMLJKXFPRXALP-UHFFFAOYSA-N 315.373 2.378 0 40 DEAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](C)Cn1cc(Cl)cn1 19577703 ZSIOHLXDCVLERP-SNVBAGLBSA-N 323.828 2.182 0 40 DEAB Cc1cc(N(C)Cc2ccc3c(c2)OCCO3)n2nccc2n1 1888904346 BZIJJZRSRSAOMR-UHFFFAOYSA-N 310.357 2.445 0 40 DEAB O=C(Cc1cccc2ccccc12)NC1CN(c2cnccn2)C1 1888930381 MICGUOVAXODYOE-UHFFFAOYSA-N 318.380 2.177 0 40 DEAB O=C(Cc1ccccc1Cl)N1CCCN([C@H]2CCOC2)CC1 1848830349 LFUXKUWSFKCSGO-HNNXBMFYSA-N 322.836 2.206 0 40 DEAB O=C(NCc1cn(-c2cccnc2)nn1)c1cc2ccccc2[nH]1 575414516 VGBCDXCVYAZUQA-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB CC[C@H](Sc1nnc2n1CCN2c1ccccc1)C(=O)OC 17268638 MWUUERVWGZFRTN-LBPRGKRZSA-N 318.402 2.474 0 40 DEAB Cc1cc(CN2CCN(C(=O)CCc3ccsc3)CC2)on1 40475617 PRBGEPOESHZQRA-UHFFFAOYSA-N 319.430 2.322 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CNC(N)=O)cc2)o1 40462232 HWAKATIMDIUWHL-LLVKDONJSA-N 301.346 2.247 0 40 DEAB COC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C 70925 JEAWFHRJYLMZOK-UHFFFAOYSA-N 306.343 2.499 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(OC)c1 168524 FGUPSVDSGUZPCW-QPNXVFALSA-N 317.341 2.165 0 40 DEAB CCOCCCNS(=O)(=O)c1cc(Cl)ccc1OC 11566217 YISMUHPWBIHUMB-UHFFFAOYSA-N 307.799 2.054 0 40 DEAB COC(=O)[C@@H](CNC(=O)Nc1cc(C)on1)c1cccc(C)c1 69655446 RBNANWWRKWSUME-ZDUSSCGKSA-N 317.345 2.370 0 40 DEAB CCc1c(O)nc(SCC(=O)Nc2ccc(C)cc2)[nH]c1=O 8576549 DHNCPQQTFLNQCM-UHFFFAOYSA-N 319.386 2.077 0 40 DEAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)NC3CCCC3)nc2n1 2631935 XKUAHVFBRYUMAJ-NSHDSACASA-N 319.434 2.281 0 40 DEAB CCCCN1CC(=O)N2CCC[C@@H](c3ccccc3)N2C(=O)C1 1579220 CZSCRBPDWANYEH-INIZCTEOSA-N 315.417 2.209 0 40 DEAB CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1 4092359 OMSRIABMRGCWSB-UHFFFAOYSA-N 304.419 2.319 0 40 DEAB C[C@@H]1CCc2c(nc3ncnn3c2NCC[C@H]2CCCN2C)C1 4516987 GQPWCKVLROAUMJ-CHWSQXEVSA-N 314.437 2.145 0 40 DEAB O=C(Nc1ccnn1CC1CC1)c1ncoc1[C@@H]1CCCO1 89885083 JGOWVWFHSGHNQZ-NSHDSACASA-N 302.334 2.385 0 40 DEAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCc2sccc2C1 21627395 UGQWFKHQBWBNQL-ZDUSSCGKSA-N 318.442 2.424 0 40 DEAB CN1CCN(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 2740791 SJCAGBAAIUHGJB-HWKANZROSA-N 314.216 2.285 0 40 DEAB O=C(Cc1cccs1)NCc1ccc(Cn2cncn2)cc1 32904430 OGTTULYKKPZKRH-UHFFFAOYSA-N 312.398 2.247 0 40 DEAB C[C@@H](NC(=O)Cn1ccccc1=O)c1cccc(OC(F)F)c1 32931067 JLTAXVXMXHSCEU-LLVKDONJSA-N 322.311 2.327 0 40 DEAB CC(C)n1cnnc1SCC(=O)N[C@H](C)c1ccccn1 47441835 HJJQRTGLEQRJOE-LLVKDONJSA-N 305.407 2.224 0 40 DEAB Cc1noc(CCCC(=O)N[C@@H]2CCOc3ccccc32)n1 41619152 CKRRZFGGACDSQE-CYBMUJFWSA-N 301.346 2.341 0 40 DEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCC[C@H](C(=O)O)C1)CC2=O 100751759 YOFGYQIZDUGKMQ-YMRXKLBXSA-N 307.390 2.095 0 40 DEAB CCO[C@@H]1C[C@@H](NC2CCN(CCOC)CC2)C12CCCC2 89986144 GZRSJFZVAPCUER-IAGOWNOFSA-N 310.482 2.425 0 40 DEAB Cc1nn(C)c2sc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc12 53377158 CCTZQIFMLQTRCE-NWDGAFQWSA-N 305.403 2.337 0 40 DEAB CC[C@@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1N(C)C 89948491 DNSBWNOWDTWGRV-TZMCWYRMSA-N 314.385 2.205 0 40 DEAB Cc1cccc(N(CCCC(=O)NC2CC2)S(C)(=O)=O)c1C 113962336 PEFJPUMNEHGKJA-UHFFFAOYSA-N 324.446 2.128 0 40 DEAB Cn1cccc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)c1=O 96435153 CWYTZAVTJHPXMU-VIFPVBQESA-N 303.284 2.192 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)no1 76044128 OIOKTAOHISAPSB-OCCSQVGLSA-N 313.357 2.299 0 40 DEAB O=C(CSCc1cc(-c2ccccc2)on1)N1CCOCC1 76018024 HPSCSNPXJHGWEW-UHFFFAOYSA-N 318.398 2.434 0 40 DEAB CCOC(=O)c1sc2nc(C)nc(N3CC[C@H](O)C3)c2c1C 78495662 WYCBPIVBFIZFIM-JTQLQIEISA-N 321.402 2.056 0 40 DEAB NS(=O)(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 25249986 SDCNYBMTHXEBGG-UHFFFAOYSA-N 324.789 2.381 0 40 DEAB Cc1cc(C(=O)NCC(=O)Nc2nc3c(s2)CCC3)c(C)o1 55827743 XWLQQSAEZDZLHC-UHFFFAOYSA-N 319.386 2.210 0 40 DEAB Cc1c(C(=O)Nc2cnn(C)c2)[nH]c2c1C(=O)CC(C)(C)C2 25307082 PXEWQFBRAQVPKC-UHFFFAOYSA-N 300.362 2.464 0 40 DEAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccncc2)c2nnn[nH]2)c1 57523503 NCQRHAARLDRZNA-AWEZNQCLSA-N 322.372 2.177 0 40 DEAB NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 3307714 OGTMMCSPEZGYNS-UHFFFAOYSA-N 306.145 2.181 0 40 DEAB CC(C)c1cc(NC(=O)[C@@H]2CCCOC2)n(-c2ncccn2)n1 108733643 GAAQHMKWTBDNNB-GFCCVEGCSA-N 315.377 2.151 0 40 DEAB CNc1snc(C)c1C(=O)NC[C@@H]1COc2ccccc2O1 27767682 IIUCVXFXGPASKR-SNVBAGLBSA-N 319.386 2.063 0 40 DEAB CN(C)C(=O)[C@H](Sc1nc2ncccn2n1)c1ccccc1 10076647 FDDUUSNIJCLLFV-GFCCVEGCSA-N 313.386 2.046 0 40 DEAB CCCCN(C)S(=O)(=O)NCCc1c[nH]c2ccccc12 44914287 NULRMLCEDDHDQD-UHFFFAOYSA-N 309.435 2.277 0 40 DEAB C[C@H](NC(=O)NCc1cc[nH]n1)c1ccc2c(c1)OCCCO2 48301705 UDYGOSSDEPAXGR-NSHDSACASA-N 316.361 2.131 0 40 DEAB CN(C(=O)c1ccc(F)cc1Br)C1CCNCC1 36282903 FBYZIVQWLNAICD-UHFFFAOYSA-N 315.186 2.412 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1cccc2c1ccn2C 70666409 CPZSYOZQTLNXIJ-AWEZNQCLSA-N 302.374 2.496 0 40 DEAB biogenic Fc1cccc(-n2ccc(CN3CCC4(CC3)OCCO4)n2)c1 64556345 OQOZIVABNMWLEE-UHFFFAOYSA-N 317.364 2.350 0 40 DEAB O=C(CNC(=O)C1CC1)N[C@H]1CCCC[C@H]1Cc1ccccc1 65621016 MWQMVWJOTDHRJA-IRXDYDNUSA-N 314.429 2.430 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)C1CCCC1 65923544 WVHCGQBMASXVGA-CQSZACIVSA-N 306.410 2.272 0 40 DEAB COC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1 5918922 YWOVHZRJWNGEHY-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCc2ccccc21 7348268 PMZCIPARPPGQSJ-ZDUSSCGKSA-N 321.380 2.423 0 40 DEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C)on1 7718425 VGIKUAIIGYJEQT-UHFFFAOYSA-N 302.330 2.417 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccccn1 81171470 DBVGODRBKRJAPA-QGZVFWFLSA-N 312.369 2.271 0 40 DEAB NC(=O)c1ccc(COC(=O)[C@H]2COc3ccccc3C2)cc1 16545743 IXBXIFMYHHQJLX-OAHLLOKOSA-N 311.337 2.080 0 40 DEAB O=C(O)C[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)CCO1 91292629 WOUPNIJZWTZHGR-FYJFLYSWSA-N 309.749 2.055 0 40 DEAB COCCN1CCC[C@@H]1CNC(=O)Cc1ccccc1Cl 69483957 LXABTXWPPSPVAE-CQSZACIVSA-N 310.825 2.110 0 40 DEAB Cc1cn2nc(NCc3ccc(NC(N)=O)cc3)sc2n1 69594491 MXVHPFNJXQHBCO-UHFFFAOYSA-N 302.363 2.202 0 40 DEAB COc1cc2ccccc2cc1C(=O)N1CCC(C(N)=O)CC1 26535395 USVKTKFRNABWRN-UHFFFAOYSA-N 312.369 2.186 0 40 DEAB O=c1c2ccsc2ncn1C[C@H](O)COCc1cccs1 71838393 UGZFUYXADSPTDP-JTQLQIEISA-N 322.411 2.097 0 40 DEAB Cc1nn(CC(=O)N2CCO[C@H]3CCCC[C@H]32)c(C)c1Cl 71819344 CFAGYQKQGSTXHA-OLZOCXBDSA-N 311.813 2.323 0 40 DEAB C[C@]1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1(Cl)Cl 71921198 GNFSSOZCAVWWQU-SFYZADRCSA-N 306.111 2.096 0 40 DEAB COC[C@@H](NC(=O)N1CCc2c(cccc2OC)C1)C1CC1 97082952 PHTQWEBAISXILC-OAHLLOKOSA-N 304.390 2.188 0 40 DEAB Cn1c(CNC(=O)c2cccc3[nH]ccc23)nnc1C1CCC1 97108948 QFMABXOCPUPPNB-UHFFFAOYSA-N 309.373 2.494 0 40 DEAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(C)c(F)cc1F 97165425 BIMHJGYUVDLABY-LLVKDONJSA-N 318.389 2.036 0 40 DEAB CN(C(=O)Cn1cc(Br)cn1)C1CCCCC1 97464158 HGSIPMXQQLWLDS-UHFFFAOYSA-N 300.200 2.437 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)[nH]n1 95425954 LIWVTARQALZARY-RYUDHWBXSA-N 309.435 2.054 0 40 DEAB c1cc(-c2noc(CSCCN3CCOCC3)n2)cs1 95446228 ZCGGSLPQRBNVDZ-UHFFFAOYSA-N 311.432 2.364 0 40 DEAB CN(CCCn1ccnc1)C(=O)N[C@H]1CCc2c(O)cccc21 95426986 YAIMIMWZTCGKSM-HNNXBMFYSA-N 314.389 2.308 0 40 DEAB O=S(=O)(NC[C@H]1CCC[C@H]1O)c1cccc2ccccc12 95441179 BAPWNNZDNUTWMQ-UKRRQHHQSA-N 305.399 2.279 0 40 DEAB Cc1cncc(C(=O)Nc2cc(Br)c(=O)n(C)c2)c1 88213969 HTKOUCMDVOUTGF-UHFFFAOYSA-N 322.162 2.104 0 40 DEAB CCC[C@@H](NC(=O)Cn1c(CC)nc2ccccc21)C(=O)OC 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O=C(COC(=O)c1ccco1)Nc1nnc(-c2ccccc2)o1 5856506 YISRQEPJBAHAEV-UHFFFAOYSA-N 313.269 2.125 0 40 DEAB Cn1ccnc1N1CCN(C(=O)CCCc2ccccc2)CC1 12444512 XMIKRWCZLBCCRU-UHFFFAOYSA-N 312.417 2.092 0 40 DEAB COc1cccc(C(=O)N2C[C@H](C(=O)O)Oc3ccccc32)c1 13435023 XIZOMRFIPNVRDL-OAHLLOKOSA-N 313.309 2.188 0 40 DEAB O=C(O)c1ccccc1C(=O)N1[C@H]2CC[C@@H]1c1snnc1C2 19347422 KDTHRAXZWKSHMZ-QPUJVOFHSA-N 315.354 2.138 0 40 DEAB O=C(NCC1(OCCO)CCCC1)c1ccc2ncsc2c1 888107055 SYPWCIFSBVWPJH-UHFFFAOYSA-N 320.414 2.348 0 40 DEAB COC[C@H]1CN(C(=O)/C=C/c2cccs2)Cc2cn(C)nc21 1565548398 CJIFVEKWACJMMC-URWSZGRFSA-N 317.414 2.267 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)CCF)CC2)CN1C(C)C 2055803626 ZLNWEDLONWPBLV-CQSZACIVSA-N 300.418 2.084 0 40 DEAB Cc1ccc2s/c(=N\C(=O)c3ccn(C)n3)n(C)c2c1C 101070337 AGAJLFHJQJZPCC-NXVVXOECSA-N 300.387 2.331 0 40 DEAB O=C(c1ccc(=O)n(Cc2ccc(F)cc2)n1)N1CCCCC1 38664521 RFYXMJRPTFMUQU-UHFFFAOYSA-N 315.348 2.057 0 40 DEAB Cc1ccc2c(c1)CCCN2C(=O)c1nc(-c2cnccn2)no1 44122266 RLNHIEKCFOFKTN-UHFFFAOYSA-N 321.340 2.428 0 40 DEAB Cc1noc(C(C)C)c1C(=O)N1CCN(c2ccncc2)CC1 30882506 RVWHITOXZHIBDP-UHFFFAOYSA-N 314.389 2.464 0 40 DEAB COc1ccc(C(=O)N2CC[C@@H](C(N)=O)C2)cc1-c1ccccc1 50583859 XBDOEMNTHGNSQY-OAHLLOKOSA-N 324.380 2.310 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccccc2)CC1 20531691 FRCNNUJUEIGPQF-UHFFFAOYSA-N 310.401 2.245 0 40 DEAB O=C(C1=COCCC1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91764830 KJHMMHNRWCXBSO-IUODEOHRSA-N 309.312 2.293 0 40 DEAB COC(=O)[C@@H](C)N(Cc1csc(-c2cnn(C)c2)n1)C1CC1 69696419 ZMDZCRRNQQWMAW-SNVBAGLBSA-N 320.418 2.070 0 40 DEAB Cc1ccc(N([C@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 6204643 JWJIPPCZCBYJCJ-GFCCVEGCSA-N 312.435 2.064 0 40 DEAB CCOC(=O)[C@H]1C(=O)N[C@H]2c3ccccc3O[C@H]3CCCC[C@@]312 6783892 SEVNYVDCZGGKSS-JTOWHCCKSA-N 315.369 2.358 0 40 DEAB CN1CCC(CN(C)C(=O)c2cnc([C@H]3CCCO3)s2)CC1 89817355 GGEPVGQAAPQANA-CYBMUJFWSA-N 323.462 2.408 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 46493898 WIIMDQSUILXDSM-JKSUJKDBSA-N 305.422 2.140 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 41130233 PXDJXPAKNGOINB-LLVKDONJSA-N 306.793 2.096 0 40 DEAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32815658 ZGJWVYLCLNKMOH-MRVPVSSYSA-N 304.243 2.175 0 40 DEAB COc1ccc(S(=O)(=O)NCc2ccccc2OC)cc1C 8336420 DXZIVAXEWDGFNU-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 24592769 PUIJYRNEXRZGAD-AWEZNQCLSA-N 304.390 2.401 0 40 DEAB COC(=O)c1ccc(C(=O)N2CCC(N3CCCC3)CC2)cc1 68365325 ODQYOSYGOZVFHV-UHFFFAOYSA-N 316.401 2.174 0 40 DEAB C[C@H](NC(=O)N1CCC[C@H]1c1cccs1)c1nncn1C 46964391 WVTDISONWCPHOZ-QWRGUYRKSA-N 305.407 2.484 0 40 DEAB C[C@H](C(=O)N(CCN(C)C)Cc1cccc(F)c1)n1ccnc1 68313399 AOCSEKCUCABIMM-CQSZACIVSA-N 318.396 2.174 0 40 DEAB COC(=O)c1ccc(CN2C(=O)CN(c3ccccc3)C2=O)cc1 47171140 SVFLQSADVWBHPV-UHFFFAOYSA-N 324.336 2.442 0 40 DEAB C[C@@H](NC(=O)c1ccccc1-n1cnnn1)[C@H]1C[C@H]2CC[C@H]1C2 104103954 KHOWAXQNJUYCMM-UKTARXLSSA-N 311.389 2.217 0 40 DEAB O=C(NC[C@H]1CCC[C@@H]1O)c1cc(=O)c2cc(Cl)ccc2o1 80973385 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O=C(Cc1ccccc1)NC[C@H](c1ccccc1)N1CCOCC1 12800701 YVZSEBJEKJYYQX-LJQANCHMSA-N 324.424 2.419 0 40 DEAB C[C@@](O)(CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccs1 76084461 QEEMQRFBPBYSTH-XJKSGUPXSA-N 303.383 2.076 0 40 DEAB COc1cc(C=O)ccc1OCc1cc(=O)n2cc(C)ccc2n1 3450173 IWNQDLHITSOUTI-UHFFFAOYSA-N 324.336 2.403 0 40 DEAB COc1ccc(CCNC(=O)CN2CCC[C@H](C)C2)cc1OC 16684936 XXXMXPAMCQPJRL-AWEZNQCLSA-N 320.433 2.094 0 40 DEAB CCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 3903741 LGIAPXVOZIRQPS-LDDOYCOJSA-N 319.401 2.054 0 40 DEAB CCCCC[C@@]1(C(=O)OCC)C[C@H](CSC(=N)N)OC1=O 4117711 ZZDUENIWLHLXCW-YGRLFVJLSA-N 316.423 2.058 0 40 DEAB O=C(O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4157336 VOKVCOKHKXLBPC-DNIRFERGSA-N 303.314 2.070 0 40 DEAB CN(C(=O)CC1CCCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 76501143 ZPACRTLENTXQSB-KGLIPLIRSA-N 301.452 2.381 0 40 DEAB CC(C)c1cc(CNC(=O)CCNC(=O)c2cccs2)on1 69892699 JEALSSYOXLCVSP-UHFFFAOYSA-N 321.402 2.296 0 40 DEAB CN(Cc1ccccc1F)C(=O)c1cccc(-n2cnnn2)c1 8389505 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HDCVRLCCEZRWKX-LLVKDONJSA-N 309.416 2.264 0 40 DEAB Cc1nc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)sc1C 69564009 DKWUKFQEMVAFOX-GFCCVEGCSA-N 307.419 2.347 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)cc(N)n2)c1C 7048216 DWGSWONHNCPHGH-UHFFFAOYSA-N 318.402 2.490 0 40 DEAB O=C1C[C@@H](Cc2ccc(NC(=O)c3ccsc3)cc2)C(=O)N1 78850275 CYBGTEALSUHXCD-GFCCVEGCSA-N 314.366 2.206 0 40 DEAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)NC(C)C)ccc21 15867542 HTCTZNGQOSUWFO-UHFFFAOYSA-N 323.418 2.162 0 40 DEAB O=C(CC1CCCC1)NCc1ccccc1CN1CC[C@H](O)C1 96006294 HYMHJAMCIVAMMU-SFHVURJKSA-N 316.445 2.450 0 40 DEAB Cn1ccc(NC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)n1 96485978 NCYDZLSHKSBZLQ-GFCCVEGCSA-N 317.368 2.350 0 40 DEAB O=C(NCCOc1cccnc1)N[C@H](c1nccs1)C1CC1 96440321 CHOITCGFUKLABY-ZDUSSCGKSA-N 318.402 2.367 0 40 DEAB COc1cccc(CNC(=O)CNC(=O)CCC2CCCC2)c1 72282660 RDVXDACKSHGWKK-UHFFFAOYSA-N 318.417 2.398 0 40 DEAB COC(=O)c1c(CC(=O)N2CCCCCC2)[nH]c(C(C)=O)c1C 9534674 BJBSKPGSPHYYAJ-UHFFFAOYSA-N 320.389 2.257 0 40 DEAB CC(C)NC(=O)[C@@H](C)ONC(=O)Cc1ccc2ccccc2c1 72291792 NXZLWKSIALKDPX-CYBMUJFWSA-N 314.385 2.343 0 40 DEAB CN(C[C@@H]1CCCO1)C(=O)Nc1ccc(N2CCCC2=O)cc1 71855448 WVINDYCMJJTJJR-HNNXBMFYSA-N 317.389 2.456 0 40 DEAB Cc1cccc(N2CCN(C(=O)[C@H]3C[C@@H]3c3cnn(C)c3)CC2)c1 71830442 VHIUQTCGVCRTCM-MSOLQXFVSA-N 324.428 2.181 0 40 DEAB CC(C)[C@@H](NC(=O)COCC1CC1)c1ccc2[nH]c(=O)oc2c1 72283790 OIXIVEPRNRJLMO-MRXNPFEDSA-N 318.373 2.361 0 40 DEAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1nc2c(s1)CCC2 72403713 AWIZHEPRFWFDDK-LBPRGKRZSA-N 313.382 2.445 0 40 DEAB C[C@H](C(=O)NCc1ccccc1)N(C)Cc1nccn1C(F)F 72765786 NTPYZCZWIBDHFN-GFCCVEGCSA-N 322.359 2.415 0 40 DEAB C[C@@H](NCCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1 95420636 LIRFIIGGNGCLCO-CYBMUJFWSA-N 314.389 2.270 0 40 DEAB O=C(NCc1ccccc1OC1CCC1)NCC1(CO)CC1 95406333 RZYBAKCFMNSDMD-UHFFFAOYSA-N 304.390 2.190 0 40 DEAB C/C=C/CCNC(=O)c1cncc(I)c1 95441245 VUYNXKMEFCOSIN-NSCUHMNNSA-N 316.142 2.382 0 40 DEAB C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc2cccnc12 95976005 PSRVBEAWUOCUNJ-GXTWGEPZSA-N 320.414 2.159 0 40 DEAB CC(C)[C@@H](NC(=O)NC(C1CC1)C1CC1)c1nnc2n1CCC2 95953300 KMZCGGFXSZDHHB-CQSZACIVSA-N 317.437 2.409 0 40 DEAB COc1ccc(CN(C)C(=O)c2cc3c([nH]c2=O)CCC3)cc1 89356009 UONZSYVKVXRMIP-UHFFFAOYSA-N 312.369 2.144 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)Cc1c(C)noc1C 89568476 VZCFUMCMTJDJRC-JTQLQIEISA-N 318.377 2.051 0 40 DEAB CCc1ccc(NS(=O)(=O)c2cccn3c(C)nnc23)cc1 62592010 PBYJHSHLSXAJOY-UHFFFAOYSA-N 316.386 2.401 0 40 DEAB CC[C@@H](Sc1cnn[nH]1)C(=O)Nc1nnc(C(C)C)s1 1505840574 WEFFGURGZSJLNI-SSDOTTSWSA-N 312.424 2.289 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)N1CCN(CCn2cncn2)CC1 75863325 HTGAJJALMZZHGL-AWEZNQCLSA-N 319.840 2.310 0 40 DEAB CN1CCN(Cc2cccc(C(=O)N[C@@H]3CC=CCC3)c2)CC1 73826639 PGLWYMWNEDXGIR-GOSISDBHSA-N 313.445 2.273 0 40 DEAB Cc1cc(-c2cnc(N3CCC(O)CC3)nc2C2CC2)on1 72340341 FDRXIUJISVBZQK-UHFFFAOYSA-N 300.362 2.279 0 40 DEAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1NC1CC1 217575201 WOIKLNQBJVPGFW-UHFFFAOYSA-N 324.402 2.180 0 40 DEAB Cn1ncc(Cl)c1-c1nn2c(-c3cccnc3)nnc2s1 72400819 YAHHPQXRXHGWSC-UHFFFAOYSA-N 317.765 2.302 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2NC[C@H](C)O)cc1 186212181 WNOOPIIJSASNCD-BPUTZDHNSA-N 311.447 2.050 0 40 DEAB O=C(O)c1ncc(-c2ccc(Br)cc2)nc1C(=O)O 35572192 DWADTGRTGSIELN-UHFFFAOYSA-N 323.102 2.303 0 40 DEAB CC(Cl)(Cl)C(=O)NCc1nnc(C2CC2)n1C1CC1 135816488 IYNSLXWFRLBZOJ-UHFFFAOYSA-N 303.193 2.300 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)O 222430388 USXPMSXORIYBAA-MYZSUADSSA-N 303.333 2.355 0 40 DEAB COc1ccc(CCNC(=S)Nc2nccc(C)n2)cc1 225174376 MWEXTWSXYAIISA-UHFFFAOYSA-N 302.403 2.323 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1 524925903 XQTWYQUWZNEDDR-ZIAGYGMSSA-N 316.467 2.222 0 40 DEAB COc1c(CN2CCOC[C@H]2c2nc(C)cs2)c(C)nn1C 190402953 DRZLVCDCGLWHBX-ZDUSSCGKSA-N 322.434 2.076 0 40 DEAB CCNC(=O)c1cc2nc(C(=O)OC)n(CC)c2cc1Cl 225730157 KRFBZRRJYMKODC-UHFFFAOYSA-N 309.753 2.246 0 40 DEAB OCCOCc1ccc(NC2CCN(CC3CC3)CC2)cc1 574749591 MRAHFGGUYPPFMP-UHFFFAOYSA-N 304.434 2.482 0 40 DEAB C[C@@H]1OCC[C@H]1N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 89555784 NQLOOWBKEMMBMV-JQHSSLGASA-N 316.445 2.377 0 40 DEAB Cc1cnc2n1CCN(C)C21CCN(Cc2nccs2)CC1 96036997 QXCWAJBCDUEJLC-UHFFFAOYSA-N 317.462 2.085 0 40 DEAB CN(CCN1CCN(c2ccccc2)CC1)Cc1cccnc1 96414989 HMIKACHCIPHOTE-UHFFFAOYSA-N 310.445 2.336 0 40 DEAB CC(=O)N1CCC2(CC1)CO[C@@H](COCc1cccc(C)n1)C2 96106159 FNVPXDUHXZADPY-QGZVFWFLSA-N 318.417 2.324 0 40 DEAB OCCc1cnn(Cc2nnc(-c3ccccc3Cl)o2)c1 97375735 PVXWIZMIJIBOGA-UHFFFAOYSA-N 304.737 2.170 0 40 DEAB C[C@@H]1CO[C@H](CO)CN1Cc1ccc(CSC(F)F)o1 92042355 AKNMGDYRJLAUHC-SKDRFNHKSA-N 307.362 2.317 0 40 DEAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3ccc(C)o3)C2)n1 96064921 ZRGDORFHUMVKBS-BPLDGKMQSA-N 303.362 2.426 0 40 DEAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]1O2 96252901 YQAKJJBPGNKEAI-OWCLPIDISA-N 322.836 2.454 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@H]3CCCOC3)CC2)nc1 97371390 QKVCGMRTPACBSW-AWEZNQCLSA-N 304.390 2.186 0 40 DEAB O=C(Nc1ncccn1)c1cccnc1O[C@H]1CCSC1 252549070 QRRLZDOITRPROC-JTQLQIEISA-N 302.359 2.008 0 40 DEAB Cn1cc(S(=O)(=O)N2CCC(c3ccsc3)CC2)cn1 96120623 WNVYSGMAFUDXLH-UHFFFAOYSA-N 311.432 2.050 0 40 DEAB c1cncc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)c1 585102941 LRCROEKRNPJQMU-KRWDZBQOSA-N 302.418 2.489 0 40 DEAB COc1cccc(CS(=O)(=O)Cc2noc(C(C)(C)C)n2)c1 44938745 UDGAHEKHNXCJQR-UHFFFAOYSA-N 324.402 2.491 0 40 DEAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1nnc2n1CCCCC2 46353675 JKVYSBNRITXGLB-QWHCGFSZSA-N 306.410 2.141 0 40 DEAB O=C1C[C@@H](C(=O)N2CCC[C@@H](n3cccn3)C2)c2ccccc2N1 69347376 KDCCWKKSGCFPDJ-UKRRQHHQSA-N 324.384 2.173 0 40 DEAB O=C(O)CCCCNC(=O)c1sccc1Br 70191323 XEFUPHUSMSLJEK-UHFFFAOYSA-N 306.181 2.495 0 40 DEAB Cc1c(NC(=O)NCC(C)C)c(=O)n(-c2ccccc2)n1C 65495949 BWGBLVBDNXACNZ-UHFFFAOYSA-N 302.378 2.262 0 40 DEAB CN1CCC(CN(C)S(=O)(=O)CC2CCCCC2)CC1 78643770 QZHWZUNLRNSAMZ-UHFFFAOYSA-N 302.484 2.170 0 40 DEAB O=C(NCCc1cc(F)c(F)c(F)c1)[C@H](O)c1ccccc1 97079979 QJXGPWGWYHQGGB-OAHLLOKOSA-N 309.287 2.496 0 40 DEAB Cc1ccccc1NC(=O)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549160681 AUZFOTOIVXCYOK-UHFFFAOYSA-N 315.373 2.155 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC1)c1ccccc1 5173468 TVUJYSYFEYMOJN-KRWDZBQOSA-N 308.381 2.260 0 40 DEAB CCCCc1ccc(NC(=O)CSc2nncn2N)cc1 5605426 WKRONLSSWXMFLX-UHFFFAOYSA-N 305.407 2.065 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@H](c2ccc(C(F)(F)F)cc2)N1 5819015 XSIPSVYSEGMJAV-MNOVXSKESA-N 311.263 2.117 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 13577118 CZWNOIFPSYXNRQ-NMWPEEMBSA-N 323.348 2.175 0 40 DEAB Cc1cc2nc(COC(=O)c3ccc(F)cc3)cc(=O)n2o1 15734194 COFNDSGMQUVUOV-UHFFFAOYSA-N 302.261 2.092 0 40 DEAB Cc1ccn(C)c(=O)c1NC(=O)N(C)OCc1ccccc1 162096461 PLCIEWGJTLWWQB-UHFFFAOYSA-N 301.346 2.289 0 40 DEAB Cc1cc(OC[C@@]2(O)COCCN(C3CCC3)C2)ccc1F 2037946907 YILBWBNRWWYLHX-KRWDZBQOSA-N 309.381 2.129 0 40 DEAB Cc1nc(CN2CCN(Cc3ccncc3F)[C@H](C)C2)co1 2086894065 IIVALVSMTFPMSC-GFCCVEGCSA-N 304.369 2.223 0 40 DEAB Cc1nc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@H]3C2)cs1 1565545352 GAQHZBXYDTWURL-HIFRSBDPSA-N 323.462 2.023 0 40 DEAB CCCCNC(=O)C(=O)Nc1cccc(N2CCCCC2=O)c1 10325402 STWQMJAWWYHDDM-UHFFFAOYSA-N 317.389 2.058 0 40 DEAB Cc1ccccc1C(=O)N1CCC(N2C(=O)CSC2=O)CC1 206978998 CTQADMIAHGMGJA-UHFFFAOYSA-N 318.398 2.295 0 40 DEAB CCSc1ccccc1C(=O)N1C[C@H](OC)C[C@H]1C(=O)OC 225632036 AFWQXJBUUNLVTN-YPMHNXCESA-N 323.414 2.201 0 40 DEAB CCC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 102363408 FDQNSJCMIMDAGB-UHFFFAOYSA-N 303.337 2.001 0 40 DEAB O=C(CN1CCCC1=O)Nc1ccc(F)cc1Br 36722027 XBWZPHAPDOUYCT-UHFFFAOYSA-N 315.142 2.149 0 40 DEAB COc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cn1 8019096 DIXSHBNMCAWOPW-UHFFFAOYSA-N 311.341 2.469 0 40 DEAB Cc1noc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)n1 40714321 PJCUEYPMSSPQEZ-GFCCVEGCSA-N 315.329 2.474 0 40 DEAB COCCNC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 20745460 NSOJPIGLCSCQFT-UHFFFAOYSA-N 324.424 2.470 0 40 DEAB CCCCCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 6597210 CSAUGGNBXINUEP-CYBMUJFWSA-N 312.435 2.148 0 40 DEAB COc1ccc(C2=CCN(C(=O)N3CCOCC3)CC2)cc1 32936966 SCPYQQVKHMDVPO-UHFFFAOYSA-N 302.374 2.237 0 40 DEAB Nc1nnc(SCc2cc(O)n(-c3ccc(F)cc3)n2)s1 9937381 QMVHDLVPKJKWLP-UHFFFAOYSA-N 323.378 2.443 0 40 DEAB Cc1ccoc1C(=O)NC[C@H](c1cccs1)N1CCOCC1 22517815 USUDLNKDBGCPAA-CYBMUJFWSA-N 320.414 2.453 0 40 DEAB CCc1noc(C)c1C(=O)NCCc1ccc2c(c1)OCO2 24381585 FWSCYBOWPXXOSN-UHFFFAOYSA-N 302.330 2.247 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2ccn[nH]2)c1 24882873 ZQEGSMLBYIVTJJ-NSHDSACASA-N 324.340 2.427 0 40 DEAB O=C(NC(=S)NCc1ccco1)c1ccc2nsnc2c1 57315883 UTVNPNOBTAVUBI-UHFFFAOYSA-N 318.383 2.089 0 40 DEAB NC(=O)Cn1ccc(NC(=O)Nc2cccc3ccccc23)n1 44980029 SQVPSSONHDELFS-UHFFFAOYSA-N 309.329 2.166 0 40 DEAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(CN(C)C)c1 58341666 NDNSWXNBMAAKJW-INIZCTEOSA-N 317.433 2.478 0 40 DEAB Cc1ccccc1N1C[C@H](C(=O)Nc2nccs2)CC1=O 8216780 XEDBKNDZWFGMEE-LLVKDONJSA-N 301.371 2.443 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)NCCc2cccs2)c1 69709397 WWGZJFCYYBRJOM-KBPBESRZSA-N 320.462 2.151 0 40 DEAB O=C(CCNC(=O)c1ccccc1)NCCOc1ccccc1 12809374 XQQOPHPUVJTNNE-UHFFFAOYSA-N 312.369 2.002 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 69489511 MFTYBCHTLZRWKO-KBPBESRZSA-N 321.446 2.334 0 40 DEAB COC[C@H](C)NC(=S)N[C@@H](C)c1ccc(-n2ccnc2)cc1 13069297 XSUHUXZVXRJSGV-STQMWFEESA-N 318.446 2.432 0 40 DEAB Cc1ccc(OCCCNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)cc1 65562621 FIXRRDIVLPXEFU-GDBMZVCRSA-N 318.417 2.042 0 40 DEAB Cc1ccc(C)c(CSCC(=O)N[C@@H](C)C(=O)N(C)C)c1 69950468 BCYUOCMVCJRHOS-ZDUSSCGKSA-N 308.447 2.130 0 40 DEAB O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)c1ccco1 14168949 UGWIYRPZSZGMLE-UHFFFAOYSA-N 315.354 2.188 0 40 DEAB CCOC(=O)c1cnn(-c2nc3ccc(OC)cc3s2)c1N 8715104 SUWKVBWCTSNIFH-UHFFFAOYSA-N 318.358 2.250 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccn2)c1 7059009 LPDBWFLSLGZWJY-NSHDSACASA-N 304.371 2.324 0 40 DEAB CCNC(=O)N1CC[C@H](N[C@H](C)c2ccc(OC)c(F)c2)C1 90412185 QFXDLKAFJFWKMR-YPMHNXCESA-N 309.385 2.289 0 40 DEAB C[C@@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)c1ccccc1 71076629 XGSPCVLHBGKYJN-DGCLKSJQSA-N 318.402 2.216 0 40 DEAB O=S(=O)(CC[C@H]1CCCO1)NCCc1ccccc1Cl 89813902 FWKYUDLEAHBANJ-CYBMUJFWSA-N 317.838 2.371 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1cc2sc(N(C)C)nc2s1 89938437 AUZPAVIGZAHICV-VIFPVBQESA-N 324.475 2.200 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1cnn(C)c1)c1ccccn1 89959112 XHUHAXZSPQWTDA-KRWDZBQOSA-N 322.368 2.343 0 40 DEAB COC(=O)C[C@H](C)C(=O)N1c2ccccc2N(C)CC[C@H]1C 96467400 DIDBUGFGKMUXAJ-QWHCGFSZSA-N 304.390 2.447 0 40 DEAB Cc1nc([C@H]2CCCN2CC(=O)N2CCc3ccccc32)no1 75573075 YAJJPIHSNBWVLE-OAHLLOKOSA-N 312.373 2.104 0 40 DEAB O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@@H]2CCC[C@H]21 71826963 ZYZCZWBYBBUNDI-HZPDHXFCSA-N 315.348 2.405 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2CC(=O)Nc2cccnc2)c1 71875390 BNXQPTBKBSVTNF-INIZCTEOSA-N 313.405 2.080 0 40 DEAB CN(C[C@H]1CCCCO1)C(=O)c1cc2ccccc2c(=O)[nH]1 71821457 VAIYOYBIOSQEDF-CYBMUJFWSA-N 300.358 2.169 0 40 DEAB CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnn1C 71905560 UPVSWQVTEIBGEI-MRXNPFEDSA-N 324.425 2.089 0 40 DEAB Cc1nc(-c2ccc(S(=O)(=O)N3CCSC3)cc2)co1 71910222 MFDIENDHVIPSIX-UHFFFAOYSA-N 310.400 2.345 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)NCCc2ccsc2)c1 72269823 FEIVGFANEWZJRP-KBPBESRZSA-N 320.462 2.151 0 40 DEAB CC(=O)Nc1ccc(/C=C/C(=O)N2[C@@H](C)COC[C@H]2C)cc1 72293400 CQPHWRMZGRUVMK-DNMVVKLTSA-N 302.374 2.294 0 40 DEAB COC(=O)c1cc(CNc2cccnc2-n2ccnc2C)c[nH]1 97047062 HHSDPRDIRHTJFN-UHFFFAOYSA-N 311.345 2.303 0 40 DEAB COC(=O)[C@H](NC(=O)Cn1cccn1)c1ccc2ccccc2c1 97084811 BKFFDZQCMVETKX-QGZVFWFLSA-N 323.352 2.067 0 40 DEAB CC(C)(O)[C@H]1CCCN1C(=O)NCC(C)(C)N1CCCCC1 97114127 LQFMZMQHHVGDBW-CQSZACIVSA-N 311.470 2.196 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2nnc(CC(C)C)s2)o1 95459497 WIJCRZZMWLGCLI-UHFFFAOYSA-N 301.393 2.439 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C1CCC1 95440364 DNAOCIAWUWHNSX-GXSJLCMTSA-N 321.343 2.028 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)C12CC3CC(CC(C3)C1)C2 78803514 LWYGBFIHDRIONR-ZZTKBFGJSA-N 306.406 2.289 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)[C@H]1C[C@@H]1c1ccccc1 95954618 PZESRZWRHHHQGR-LCGIIJARSA-N 300.402 2.163 0 40 DEAB COC(=O)[C@H](C(C)C)N1CCN(C(=O)c2ccc(C)s2)CC1 95963356 WUZWMZMXKNHFHS-AWEZNQCLSA-N 324.446 2.012 0 40 DEAB CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(C(=O)O)cc2)C1 74941263 NOFZILQIQHEJAT-ZDUSSCGKSA-N 306.362 2.266 0 40 DEAB C[C@@H](Oc1ccc(/C=C/c2cc(C(=O)O)ncn2)cc1)C(=O)O 556779473 VCDNKGGTGNWNKA-JYBNPQIESA-N 314.297 2.197 0 40 DEAB COc1cc2c(cc1O)[C@@](Cc1ccccc1)(C(=O)O)NCC2 3847275 MSALNDNZJFQMMY-SFHVURJKSA-N 313.353 2.069 0 40 DEAB biogenic Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccoc2)cc1 129332072 FLSKGZJKIYJKJR-GFCCVEGCSA-N 307.371 2.180 0 40 DEAB CC1(C)C(=O)N[C@H]1C1CCN(Cc2ncccc2Cl)CC1 528514398 LWLXHPRSYGYUNM-AWEZNQCLSA-N 307.825 2.472 0 40 DEAB CCN(Cc1cccc(Cl)c1)C(=O)[C@@H]1NCc2ncncc21 1553393147 HEVJHIIVBSOUIG-OAHLLOKOSA-N 316.792 2.323 0 40 DEAB COc1ccc([C@@H]2[C@@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 72242099 SETYCMRVBIHVAK-DOTOQJQBSA-N 318.417 2.377 0 40 DEAB CC(=O)N1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C 72219434 CGHKZXHMKMKTCU-INIZCTEOSA-N 303.406 2.300 0 40 DEAB O=C(CSc1nnc(C2CC2)s1)NCc1cccnc1 74796879 WYDZBACLEOLTSP-UHFFFAOYSA-N 306.416 2.219 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NC1CCSCC1)O2 40779304 BRQYHNZDXLDKJZ-INIZCTEOSA-N 320.414 2.096 0 40 DEAB O=C(c1cnccc1C(F)(F)F)N1CC[C@@]2(CCCNC2)C1 563412433 QNMPLAQOXIIXAV-CQSZACIVSA-N 313.323 2.316 0 40 DEAB CC1(C)CC(NC(=O)C(=O)Nc2ccccc2F)CC(C)(C)N1 42645664 OAXSREURMIQYAR-UHFFFAOYSA-N 321.396 2.190 0 40 DEAB CC(C)C[C@H](C(=O)N1CCC([C@H](C)O)CC1)N1CCCCC1=O 87374200 BJJWMXWRKGHVLU-GOEBONIOSA-N 324.465 2.033 0 40 DEAB CN1CCN(CCCSc2nnc(-c3cccs3)[nH]2)CC1 195568202 NHWOMOCEVKELJI-UHFFFAOYSA-N 323.491 2.263 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@@H]3CCO[C@H]3C)CC2)nc1 195559216 WYICHCBUIBEQHS-DZGCQCFKSA-N 304.390 2.185 0 40 DEAB O=C(COc1ccccc1F)NC[C@@H]1COc2ccccc21 74913734 ZZZRUEUXVFZTJP-GFCCVEGCSA-N 301.317 2.497 0 40 DEAB O=c1n(CCc2ccccc2Cl)nnn1-c1ccccc1 195737012 CYYIXCHBLWNYPN-UHFFFAOYSA-N 300.749 2.325 0 40 DEAB CC1(C)C[C@@H](CNC(=O)c2cccc3oc(O)nc23)CCO1 573505201 BEAKOXNZIBXNML-JTQLQIEISA-N 304.346 2.468 0 40 DEAB Cn1cc(NC(=O)N2CC[C@@H](Oc3ccc(Cl)cc3)C2)nn1 577155074 AOUNDGQWMWGNJB-GFCCVEGCSA-N 321.768 2.154 0 40 DEAB O=S(=O)(Cc1ccon1)N[C@@H](C1CCCC1)C(F)(F)F 96502205 AXUXRFQWTBEBGZ-JTQLQIEISA-N 312.313 2.215 0 40 DEAB CCOCC(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 97232411 JLGGYWFDJVJECW-JTQLQIEISA-N 300.761 2.211 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(c4ccncn4)C3)CC2=O)cc1 96238494 NPOMTPJRMCSTNC-GOSISDBHSA-N 308.385 2.418 0 40 DEAB O=C(C1=CCCC1)N1C[C@@H]2CN(Cc3ccco3)CCO[C@@H]2C1 96110929 JWHQGYVRCFJHKX-DOTOQJQBSA-N 316.401 2.049 0 40 DEAB COc1ccc(NCc2nc([C@H](N)c3ccccc3)n[nH]2)cc1 95533416 QXMREVQHGFNFRC-MRXNPFEDSA-N 309.373 2.474 0 40 DEAB Cc1nccc(CNC(=O)N2CCc3c(F)cc(F)cc3C2)n1 96477024 AEORYIFEKUKNSS-UHFFFAOYSA-N 318.327 2.331 0 40 DEAB O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1cccnc1 96239107 PDRCLAAZDHWYTL-SFHVURJKSA-N 308.385 2.106 0 40 DEAB COCC[C@@H]1COC2(CCN(C(=O)c3ccncc3)CC2)C1 96220208 UOYBQMLSYXUHDO-AWEZNQCLSA-N 304.390 2.129 0 40 DEAB CN(C)C(=O)C[C@H]1OC[C@H]2CN(Cc3ccccc3F)CC[C@H]21 96206990 DZRPRSPWUNNGHV-BFYDXBDKSA-N 320.408 2.141 0 40 DEAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccco1 96060542 YIEFHTBEDZTOLK-OAHLLOKOSA-N 302.378 2.027 0 40 DEAB C[C@H](CNC(=O)N1CCO[C@H]([C@H]2CCCO2)C1)c1ccsc1 245338637 NKXJFKMIWWTUMS-YUELXQCFSA-N 324.446 2.441 0 40 DEAB Cc1cccc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)n1 257328499 XFWMSGCMUVQEKF-KRWDZBQOSA-N 312.417 2.425 0 40 DEAB O=C(Cn1cc(Cl)cn1)N1CCC(Cc2ccncc2)CC1 257329772 XLMDSMULPCICOY-UHFFFAOYSA-N 318.808 2.413 0 40 DEAB COC[C@@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2cncn21 253613831 OOLQZTJYUDMAFH-INIZCTEOSA-N 322.368 2.275 0 40 DEAB CN1CC[C@H](COc2ccccn2)CC12CN(C1CCC1)C2 585102874 LPIMTDBGPKTLHB-HNNXBMFYSA-N 301.434 2.409 0 40 DEAB COC(=O)C(=O)c1c[nH]c2c(F)cc(Br)cc12 669369896 OENJENIEFNWZIC-UHFFFAOYSA-N 300.083 2.425 0 40 DEAB C[C@@H]1c2nnc(COc3ccccn3)n2CCN1CC1CCC1 585097590 NCODKZYYTYEOGF-CYBMUJFWSA-N 313.405 2.429 0 40 DEAB O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC(F)(F)CC1 684519703 HHPIQPBRSZUKLB-HNNXBMFYSA-N 324.371 2.145 0 40 DEAB COCCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc(F)c1 69492065 QOXBCINYYCMQBC-DZGCQCFKSA-N 309.337 2.227 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCN(Cc3cccnc3)CC2)n1 69414631 JYLDOXGBNPQBFV-CQSZACIVSA-N 315.421 2.467 0 40 DEAB Cc1nc(CN2CCN(C[C@@H](O)c3cccs3)CC2)cs1 85436956 IIJFLBVFSLNCQM-CQSZACIVSA-N 323.487 2.364 0 40 DEAB Cc1n[nH]cc1CNCC1CCN(C(=O)OC(C)(C)C)CC1 78394280 ICMWZJKBFYWKPM-UHFFFAOYSA-N 308.426 2.455 0 40 DEAB Cc1cccc(CS(=O)(=O)c2nnc([C@@H](N)C(C)C)o2)c1 5148521 NODANGRTCKDFHQ-LBPRGKRZSA-N 309.391 2.008 0 40 DEAB CCOC(=O)[C@H](CNC)Cc1cccc(Br)c1 12649785 KULGTGIAOZLSEB-NSHDSACASA-N 300.196 2.390 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cccc3cccnc23)C[C@@H](C)O1 13947089 KRJXZHAGKNHEBT-TXEJJXNPSA-N 306.387 2.033 0 40 DEAB c1cnc2c(CN3CCOCC3)c(C3CCOCC3)[nH]c2c1 19345233 LULXTQZQNWOIAJ-UHFFFAOYSA-N 301.390 2.289 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H](O)c2ccccc2)cc1 6923561 CRZOLKWUJOHXED-CZUORRHYSA-N 305.399 2.395 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)C1=Cc2cc(Cl)ccc2OC1 36391583 YDKOSWHOEKPDML-SNVBAGLBSA-N 322.792 2.147 0 40 DEAB O=C(NCc1cccnc1)Nc1nnc(C(F)(F)F)s1 40526707 OORDFESRDMPRTP-UHFFFAOYSA-N 303.269 2.274 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 81965 PKVQQARSPCWFPN-XUJVJEKNSA-N 320.414 2.088 0 40 DEAB CCOCCCNS(=O)(=O)c1cc(C)c(OC)cc1C 11566207 QVDOUEKKVGQHFB-UHFFFAOYSA-N 301.408 2.017 0 40 DEAB C[C@H](NC(=O)[C@@H](c1ccccc1)n1cnnn1)c1ccccc1 32104398 BEVTWJDEPBKKCV-XJKSGUPXSA-N 307.357 2.140 0 40 DEAB CC[C@@H](C)Oc1ccccc1[C@H]1C=C(C(=O)O)Nc2ncnn21 101347920 WEVYQNOECMTEGQ-ZWNOBZJWSA-N 314.345 2.439 0 40 DEAB Cc1ccc(-c2csc(NC(=O)CN3CCOCC3)n2)cc1 3218108 OXVHUCBDTYJZKC-UHFFFAOYSA-N 317.414 2.389 0 40 DEAB C[C@H](C(=O)N1CCCCC1)N(C)CC(=O)Nc1cccc(F)c1 3352669 VFOUXEOKKXUPSS-CYBMUJFWSA-N 321.396 2.097 0 40 DEAB C[C@H]1CN(Cc2nc3c(oc4ccccc43)c(=O)[nH]2)C[C@@H](C)O1 20963080 HEBMMEIANSPWLR-PHIMTYICSA-N 313.357 2.279 0 40 DEAB CC(C)(CC(=O)O)CC(=O)N1CCN(c2ccccc2F)CC1 4687714 KBVSUVISZSGABG-UHFFFAOYSA-N 322.380 2.365 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCCCC2)cc1 6205028 RBCHAWQSXPRGAQ-AWEZNQCLSA-N 324.446 2.064 0 40 DEAB CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C(=O)O)c1C 6962236 NWINRFQQPZTRRH-ZROIWOOFSA-N 323.352 2.445 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 7680191 FAZLDGPVFPIWGN-UHFFFAOYSA-N 305.355 2.298 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 46455648 JHEPRDDWBHGVFN-AWEZNQCLSA-N 316.380 2.430 0 40 DEAB CC(C)NC(=O)CNC(=O)Cc1csc(-c2ccsc2)n1 8327260 KGLHVZZMDNMOSC-UHFFFAOYSA-N 323.443 2.055 0 40 DEAB Cc1cccc(C2=N/C(=C\c3ccc4c(c3)O[C@H](O)O4)C(=O)O2)c1 8642180 GQVGOPDNRYSKME-RUEYPURISA-N 323.304 2.387 0 40 DEAB CCNC(=O)CN(CC)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl 69743282 ZSQIGNJKZCXKKV-GXTWGEPZSA-N 323.824 2.364 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2c(F)cccc2F)C1=O 47356481 USKDAZYZOLLKQZ-MRXNPFEDSA-N 324.327 2.347 0 40 DEAB Cc1ccc(CNC(=O)N2CCC3(CC2)OCCO3)cc1F 23174809 UMOKKKZPYQDHJQ-UHFFFAOYSA-N 308.353 2.183 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2ccco2)N2CCOCC2)cc1 23105851 KZYZXIBWSAGXFU-MRXNPFEDSA-N 314.385 2.391 0 40 DEAB CCn1ccc(NC(=O)CN2C(=O)C(C)(C)c3ccccc32)n1 57355601 VLQMFGPXFULTGM-UHFFFAOYSA-N 312.373 2.166 0 40 DEAB O=C(NCCc1ccccc1F)[C@@H]1CC(=O)N(C2CCCC2)C1 23643413 XNCDLGQSDWVARD-CQSZACIVSA-N 318.392 2.276 0 40 DEAB CCCCn1nc(C(=O)NCCc2cccc(F)c2)ccc1=O 24116371 IVUNOGQMKAGKHY-UHFFFAOYSA-N 317.364 2.155 0 40 DEAB Cc1nc(CC(=O)NCCn2c(C)nc3ccccc32)cs1 24477021 LNSUVGNNCLYRKY-UHFFFAOYSA-N 314.414 2.469 0 40 DEAB O=C1NC[C@H](CSc2nnc(C3CC3)n2-c2ccccc2)O1 24752866 WZFVEHFAGIFSHV-GFCCVEGCSA-N 316.386 2.345 0 40 DEAB CCC(=O)N[C@H](CCSC)C(=O)Nc1cccc2cn[nH]c12 56360119 IQZVICWJQCTOAV-GFCCVEGCSA-N 320.418 2.149 0 40 DEAB CC(C)C(=O)O[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 12533088 KOCQQUCLLABBNF-JTQLQIEISA-N 301.350 2.458 0 40 DEAB CCOCCCNC(=O)N[C@@H](C)COc1ccc(F)cc1F 56896468 DERHJZLOJXQJOD-NSHDSACASA-N 316.348 2.458 0 40 DEAB COC(=O)c1ccc(OC)c(NS(=O)(=O)c2ccccc2)c1 107176799 SBOYJMJKNGSBQM-UHFFFAOYSA-N 321.354 2.283 0 40 DEAB CC(C)(C)[C@H](NC(=O)c1cncc(Br)c1)C(=O)O 35390064 KPPXCAVLNBNFRW-SECBINFHSA-N 315.167 2.073 0 40 DEAB CCOC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 35325608 FSEUOUDVYSFMIY-UHFFFAOYSA-N 319.405 2.016 0 40 DEAB CN(C)C[C@](C)(O)CNC(=O)c1cc2cc(Cl)ccc2o1 89901199 ZVKUSMLBSFPFHG-OAHLLOKOSA-N 310.781 2.129 0 40 DEAB CCCCNC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427450 FGSWVRWWBJVNTL-UHFFFAOYSA-N 313.401 2.443 0 40 DEAB Fc1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cc1 28078061 NYUWXBNTJANUQX-UHFFFAOYSA-N 319.336 2.215 0 40 DEAB c1nc(Sc2nnnn2C[C@H]2CCCO2)c2sccc2n1 58425570 LUIUQMCPBUQGOG-MRVPVSSYSA-N 320.403 2.008 0 40 DEAB O=C(Cn1c(=O)oc2ccccc21)N1CCc2ccccc2C1 3357411 WGHDEGKOZZZQHM-UHFFFAOYSA-N 308.337 2.179 0 40 DEAB CSc1ccccc1C(=O)NCCCCN1CCOCC1 48284712 POJCTYJCLIMKIE-UHFFFAOYSA-N 308.447 2.251 0 40 DEAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)S(N)(=O)=O 48342153 DAUYABVTGACOQK-UHFFFAOYSA-N 300.767 2.235 0 40 DEAB CON(C)C(=O)c1cc(F)ccc1I 69438486 JHUGLIYKLDYADK-UHFFFAOYSA-N 309.078 2.064 0 40 DEAB CN(C(=O)Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 13008273 MJWVMVOZTHMPBP-HNNXBMFYSA-N 317.410 2.028 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 13170783 LHVUEGJJBOICSX-ZETCQYMHSA-N 318.192 2.447 0 40 DEAB CC(C)Sc1ccccc1C(=O)NCCCS(C)(=O)=O 48952694 QYMHCMSTHUUMRD-UHFFFAOYSA-N 315.460 2.352 0 40 DEAB Cc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3ON2c2ccccc2)cc1 4172207 CAVFFBJJNMNHHB-ZACQAIPSSA-N 322.364 2.471 0 40 DEAB O=C(Nc1ccc(N2CCCCC2)nc1)N1CCC[C@@H](O)C1 65451941 ACXWVXWFNRRWTL-CQSZACIVSA-N 304.394 2.061 0 40 DEAB COC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1OC 4498747 FKELOLCHDQSMMZ-RAXLEYEMSA-N 301.298 2.232 0 40 DEAB CCNC(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 65586685 RLLQSUHPSUQZTN-UHFFFAOYSA-N 302.231 2.175 0 40 DEAB c1ccc(-n2cnc(CSc3ncnc4nc[nH]c34)n2)cc1 92263879 FOKRPXRGUIHQRW-UHFFFAOYSA-N 309.358 2.226 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)Cc1cn2cccc(C)c2n1 65608841 CZCVJTWVUNXGJP-UHFFFAOYSA-N 312.373 2.449 0 40 DEAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c1 7057886 ZSNPDKFDDQPOFJ-LLVKDONJSA-N 318.402 2.165 0 40 DEAB CCc1ccc([C@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)o1 90171434 YZGXKUGVPROBRL-GXTWGEPZSA-N 316.405 2.340 0 40 DEAB Cc1cc(C)c(CNC(=O)CC(=O)NCC(F)(F)F)c(C)c1 96000704 TWKANZYHANGLFE-UHFFFAOYSA-N 316.323 2.297 0 40 DEAB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CC[C@H](OCC(C)C)C1 96468372 KUMKHBMEGCKWGH-ZDUSSCGKSA-N 321.421 2.089 0 40 DEAB COc1ccc2[nH]cc(C3CCN([C@@H](C)C(N)=O)CC3)c2c1 71824860 XSEVBGSXZKPVBY-NSHDSACASA-N 301.390 2.230 0 40 DEAB FC(F)(F)c1nnc2ccc(NC[C@@H]3CCCCO3)nn12 71828040 ACGZVLJRCLRVDZ-QMMMGPOBSA-N 301.272 2.124 0 40 DEAB CCCCCNC(=O)c1nn(-c2ccc(CC)cc2)nc1CO 21173102 OULCKRJZZQAWHX-UHFFFAOYSA-N 316.405 2.242 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)NC2(CC(=O)O)CCC2)n1 94290564 XOSUPMBTQWUZSH-UHFFFAOYSA-N 311.769 2.381 0 40 DEAB CC[C@H]1C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 76418447 XLLBKQZLJBLZBP-ZDUSSCGKSA-N 303.337 2.191 0 40 DEAB CCCC[C@H](COC)NC(=O)C(=O)Nc1c(F)cccc1F 72291081 TWYLHGIDXISIEZ-SNVBAGLBSA-N 314.332 2.225 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)CCn2ccnn2)n1 72273436 WFWNGGHLKAMFFH-LBPRGKRZSA-N 305.407 2.187 0 40 DEAB C[C@H](CS(C)(=O)=O)N(C(=O)c1ccc(Cl)s1)C1CC1 72282023 VLPHCJLFOWUFPF-MRVPVSSYSA-N 321.851 2.439 0 40 DEAB C[C@H](O)C[C@@H]1COCCN1C(=O)NC[C@@H](C)c1cccs1 97161993 JIIGJRUKWHQQSU-FRRDWIJNSA-N 312.435 2.033 0 40 DEAB COc1ccc([C@@H](NCc2cnn(C)c2)c2nccn2C)cc1 97197995 JSUJOOQACFDXRV-MRXNPFEDSA-N 311.389 2.041 0 40 DEAB Cc1ccc2c(n1)OCCN2Cc1noc(C2CCOCC2)n1 97109925 WUFDCEULLNHIKJ-UHFFFAOYSA-N 316.361 2.066 0 40 DEAB CSc1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)N(C)C2)c1 78841504 DSKSGQMAYCBBAI-VIFPVBQESA-N 312.822 2.413 0 40 DEAB CC(C)n1nc(O)c2c1N=C(O)CS[C@H]2c1cnn(C)c1 79494680 QDYQIIHKKLTULV-NSHDSACASA-N 307.379 2.327 0 40 DEAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1CCC[C@@H]1O 95441140 ZPXAZDMVHXVHPL-GWCFXTLKSA-N 321.801 2.060 0 40 DEAB O=C(CCC1CCCC1)NCC(=O)Nc1cccc(C(=O)O)c1 95424983 PDLCPKFAYRHNRV-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB Cc1cc(NC(=O)c2nccnc2N)cnc1N1CCCCC1 95464871 NVXLJLNCYRDDKT-UHFFFAOYSA-N 312.377 2.005 0 40 DEAB Cc1cc(=O)c(C(=O)NC[C@@H]2C[C@]23CCc2ccccc23)c[nH]1 88198882 PZDLJYVQMMHLDU-IFXJQAMLSA-N 308.381 2.317 0 40 DEAB Cc1ccc(CC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cn1 95991660 WLCKBGNQPMQYGO-MNQCNDSGSA-N 318.417 2.371 0 40 DEAB C[C@](O)(CNC(=O)N[C@@H]1CCCSC1)c1ccc(F)cc1 95976232 FIYHCBMPQLPVTM-HIFRSBDPSA-N 312.410 2.228 0 40 DEAB CS(=O)(=O)Nc1nnc(NCc2ccccc2Cl)s1 95990274 ZEYVNJXGTVDEOG-UHFFFAOYSA-N 318.811 2.175 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@H]1NCCC1Cc2ccccc2C1 95985136 SWCJWNCTPMSOKU-IAGOWNOFSA-N 307.459 2.347 0 40 DEAB CN(CCOc1ccccc1)Cc1ccc(OCC(N)=O)cc1 89346402 MNNNTZOCUYHOHN-UHFFFAOYSA-N 314.385 2.062 0 40 DEAB COc1cc(OC)c([C@H](CN)N2CCC[C@@H](C)C2)c(OC)c1 62712640 HURJVMTZXCIYKX-OCCSQVGLSA-N 308.422 2.444 0 40 DEAB Cc1cc(Cl)nc(NS(=O)(=O)c2ccc(F)cc2)n1 217396815 ZMGAVWWWBJAJMU-UHFFFAOYSA-N 301.730 2.378 0 40 DEAB O=C(CSCC(=O)Nc1ccccn1)Nc1ccccc1 36644201 FSOKSHKKHAKPRQ-UHFFFAOYSA-N 301.371 2.392 0 40 DEAB CN1CCC(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 74920936 OOKKPPMJMJQZOB-UHFFFAOYSA-N 315.461 2.063 0 40 DEAB COC[C@H](O)CN1CCSC[C@H]1c1ccc(Cl)cc1 126901487 YUQPEQAFOBFOBX-KGLIPLIRSA-N 301.839 2.437 0 40 DEAB Cc1cccc(CNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)n1 79334785 CAHHEHJIKYLYJV-CQSZACIVSA-N 317.433 2.481 0 40 DEAB CCOC1CCN([C@@H](C)c2nc(=O)c3ccccc3[nH]2)CC1 71821795 LYGKKWBIBAYYBE-LBPRGKRZSA-N 301.390 2.485 0 40 DEAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C)c1C 77845006 WDIGYSSPILLCQJ-SJKOYZFVSA-N 306.406 2.155 0 40 DEAB CCOCc1cc(C(=O)N2CCN(CC)CC2)ccc1OCC 224699994 LPMOXTVRIZNTMJ-UHFFFAOYSA-N 320.433 2.400 0 40 DEAB CC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCc1ccco1 222899730 ANSCNMCKXITVBV-GFCCVEGCSA-N 318.348 2.472 0 40 DEAB Cc1ncccc1CNc1cccc(S(=O)(=O)N(C)C)c1 193148807 GZBYIYVMUUIAEE-UHFFFAOYSA-N 305.403 2.252 0 40 DEAB O=C(O)c1nn(-c2cccc(Cl)c2)nc1Br 89263369 WWLWLJUQBGMGHU-UHFFFAOYSA-N 302.515 2.381 0 40 DEAB Cn1ccnc1CN1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238422 PBPFLLIKKPLMSF-GOSISDBHSA-N 310.401 2.049 0 40 DEAB O=C(NCC1(CO)CC1)N[C@@H]1CCC[C@H]1Oc1ccccc1 95406327 JQEYOEOISIXZIQ-HUUCEWRRSA-N 304.390 2.058 0 40 DEAB Cc1noc(C)c1CNC(=O)N1CCCC[C@H](N2CCCC2)C1 95953309 LADKTJJEFHLSAO-HNNXBMFYSA-N 320.437 2.451 0 40 DEAB CCO[C@H]1C[C@H](N(C)CCS(=O)(=O)CC)C12CCCC2 96419748 KSORPEFEXMJUAM-KBPBESRZSA-N 303.468 2.091 0 40 DEAB COc1ccccc1OCC(=O)N1CC[C@H]2O[C@@H](C)C[C@H]2C1 96043623 NTLFYYHMSREVKZ-MELADBBJSA-N 305.374 2.100 0 40 DEAB O=C(C1CCOCC1)N1CCN(CC2CC2)c2ncccc2C1 96060989 DFIFYHFEUBFFNZ-UHFFFAOYSA-N 315.417 2.067 0 40 DEAB CSc1nnc(CNc2cc(C)c(F)cc2C(N)=O)s1 96427558 RKCHMMXAFUHGRL-UHFFFAOYSA-N 312.395 2.419 0 40 DEAB O=C(C[C@]12COC[C@H]1CN(Cc1ccccc1)C2)NCC1CC1 96206259 LFWHMKGKILMMPZ-MJGOQNOKSA-N 314.429 2.051 0 40 DEAB CCOC[C@@H]1CC2(CCN(C(=O)c3ccccn3)CC2)CO1 96105884 LFTOJSRGXBIWIO-AWEZNQCLSA-N 304.390 2.129 0 40 DEAB CC(C)N1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1=O 241946716 UNJIUDSMDZMRPZ-VTMBPIDISA-N 304.434 2.184 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1ccnc(O)n1 257244039 IJPCWQWUHVRLSQ-LBPRGKRZSA-N 302.334 2.018 0 40 DEAB Cc1ccc(C[C@H]2CCCN(C(=O)CCn3ccnc3)C2)cn1 257334140 YESAPDGESQWHLN-QGZVFWFLSA-N 312.417 2.458 0 40 DEAB CNc1cnc(C[C@@H]2CCCN(Cc3ncc[nH]3)CC2)cn1 257330719 XPPUOOAUKSYIMT-CYBMUJFWSA-N 300.410 2.086 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCCC[C@@H]3N(C)CCC[C@@]32C)n1 257225355 FFWISHQPLMZBRQ-WMZOPIPTSA-N 318.465 2.365 0 40 DEAB CNCC(=O)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 257255571 KHZYIXCPVZDUAN-CQSZACIVSA-N 312.417 2.020 0 40 DEAB O=C(NCc1nc(C2CCSCC2)no1)c1ccncc1 575605300 CWLUAVDCLLZOKL-UHFFFAOYSA-N 304.375 2.005 0 40 DEAB Cc1cc(NS(=O)(=O)C[C@H]2CCC(F)(F)C2)cnc1O 585141692 YYMFIZSLKRMRCV-VIFPVBQESA-N 306.334 2.273 0 40 DEAB c1ccc(O[C@H]2CCOC3(C2)CN(Cc2ccoc2)C3)nc1 585104640 KAVUQAHIXUSNLJ-HNNXBMFYSA-N 300.358 2.487 0 40 DEAB O=C(Nc1ccc(O)cc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 57559900 KWDBBCWSUGOJMF-HNNXBMFYSA-N 324.380 2.422 0 40 DEAB O=[S@@](Cc1c(F)cccc1Cl)Cc1nnnn1C1CC1 69452984 DYUKNAPJECWEQC-HXUWFJFHSA-N 314.773 2.249 0 40 DEAB COCc1ccccc1CNC(=O)CN1C[C@H]2CCC[C@H]2C1 89420372 MXSHHHBHGFHSSG-IYBDPMFKSA-N 302.418 2.181 0 40 DEAB NS(=O)(=O)c1cnc(N[C@@H]2CCc3cc(F)ccc32)s1 95347297 OYGATEKGNHGGRQ-SNVBAGLBSA-N 313.379 2.029 0 40 DEAB CN1CC[C@H](N(C)Cc2cc(Br)cs2)C1=O 70019040 KRJVOFSXEYYTME-JTQLQIEISA-N 303.225 2.173 0 40 DEAB Cc1c(C(=O)NCCCc2ccccn2)nnn1-c1ccccc1 12148603 SSPJDDJPPJTWHT-UHFFFAOYSA-N 321.384 2.333 0 40 DEAB COC(=O)[C@@H](N)CSc1cc(C)nc2ccc(OC)cc12 12597335 XKKUAMGHHAVSOG-LBPRGKRZSA-N 306.387 2.144 0 40 DEAB C[C@H]1CNCC[C@@]1(O)Cc1cc(F)ccc1Br 169219164 PDDZCLOCARPSPP-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB C[C@@H]1CN(C(=O)COC(=O)/C=C/c2cccc(F)c2)C[C@@H](C)O1 5560511 JOPAEXKZEJAPTG-AMRKSYTLSA-N 321.348 2.018 0 40 DEAB Nc1nnc(CNC(=O)C2(c3cc(F)cc(F)c3)CCCC2)o1 529068652 KXBBBKNWQQVOTD-UHFFFAOYSA-N 322.315 2.058 0 40 DEAB CCOC(=O)c1nnsc1NC(=O)c1cc(F)cc(F)c1 32832565 VNRICOHAIXSAJT-UHFFFAOYSA-N 313.285 2.245 0 40 DEAB COCc1cccc(C(=O)Nc2nc(CC(=O)O)cs2)c1 37433727 YSBXNZURXHRTOU-UHFFFAOYSA-N 306.343 2.169 0 40 DEAB Cc1cncnc1N1CCN(c2ncnc3cc(F)ccc23)CC1 1776008848 QNRLPSOBMJMBDH-UHFFFAOYSA-N 324.363 2.194 0 40 DEAB Cc1oc(C)c(C(=O)NCc2nnc3n2CCCCC3)c1C 40489061 HNOFPZUVSZKAAY-UHFFFAOYSA-N 302.378 2.453 0 40 DEAB C[C@H](CNS(=O)(=O)c1ncn(C)c1Cl)c1ccccc1 27954088 HEFLBEIGOLCONB-SNVBAGLBSA-N 313.810 2.156 0 40 DEAB O=C1CO[C@H]2CCN(CC3CC3)C[C@@H]2CN1c1ccccc1 2037980709 FVWNALUTHNSVSC-WBVHZDCISA-N 300.402 2.150 0 40 DEAB CCc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)cc1 2710875 CQVXFIDGAPBLFN-QWRGUYRKSA-N 320.414 2.067 0 40 DEAB O=C(O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 4190190 OOAQNSGOQMNMLB-OZVVPTBGSA-N 317.728 2.350 0 40 DEAB COc1ccc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)cn1 1849646103 NNMNJRMCRSDUFB-UHFFFAOYSA-N 314.389 2.182 0 40 DEAB Cc1cnc(N(C)[C@H]2CCCN(C[C@@H]3CCCCO3)C2)nc1 2086850137 HBUYBJSTSKNENI-HOTGVXAUSA-N 304.438 2.255 0 40 DEAB OC1(c2ccc(Cl)cc2)CCN(C[C@H]2COCCO2)CC1 2298028259 BSMOSSCSBJRERV-HNNXBMFYSA-N 311.809 2.039 0 40 DEAB CC[C@H]1CN(C(=O)CCCn2c(=O)oc3ccccc32)CCO1 40497521 KTEFVTXKRDCGBT-ZDUSSCGKSA-N 318.373 2.012 0 40 DEAB O=c1c2c([nH]c3nc(NCc4ccccc4Cl)nn13)CCC2 100641650 SIXIYRROKQTPMC-UHFFFAOYSA-N 315.764 2.172 0 40 DEAB COc1ccccc1/C=C1\SC(=O)N(CCC(=O)O)C1=O 16719028 HDQDXDVOCXFYFH-FLIBITNWSA-N 307.327 2.206 0 40 DEAB Cc1c/c(=N/c2ccc(Br)cc2)n2ncnc2[nH]1 101063755 DZQVHSAPNXSEJY-BOPFTXTBSA-N 304.151 2.361 0 40 DEAB C[C@H](CNS(=O)(=O)c1ccccc1)N(C)c1ccccc1 45745494 HQKPWYLKETYSIZ-CQSZACIVSA-N 304.415 2.490 0 40 DEAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCC[C@@H]1C(N)=O 32070104 DYQLKUHUGOIKEM-GFCCVEGCSA-N 315.398 2.208 0 40 DEAB Cc1ccccc1-n1c(O)c(Cc2ccccc2)c(=O)[nH]c1=O 101273719 BVMFAPIXYNGCRP-UHFFFAOYSA-N 308.337 2.131 0 40 DEAB c1csc(N2CCN(Cc3nc(-c4ccoc4)no3)CC2)n1 69371300 CNVSWMGLEBZHRR-UHFFFAOYSA-N 317.374 2.108 0 40 DEAB CC(C)CNC(=O)COC(=O)c1ccccc1Br 3506844 GBZIBLWOUBUTLX-UHFFFAOYSA-N 314.179 2.378 0 40 DEAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(F)cc1F 3542638 JBDBJVNCPIQALB-UHFFFAOYSA-N 322.292 2.391 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1 6426821 FGNHRBPXLUTDDM-CYBMUJFWSA-N 318.398 2.301 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@H]2c3ccccc3O[C@H]3CCCC[C@@]312 6783867 SEVNYVDCZGGKSS-YRBFXIGRSA-N 315.369 2.358 0 40 DEAB [CH2-]c1c2ccccc2nc(SCC(=O)N[C@@H](C)C(C)C)[n+]1C 32739649 SSGHECMFAVBOHW-LBPRGKRZSA-N 317.458 2.494 0 40 DEAB COCCN1CC2(CCN(C(=O)CC3CCCC3)CC2)CC1=O 108533253 VCXXMMSDPJJNOS-UHFFFAOYSA-N 322.449 2.054 0 40 DEAB Cc1c(S(=O)(=O)Nc2ccccc2OC(F)F)cnn1C 2792194 PCFFSIZRKIOBMJ-UHFFFAOYSA-N 317.317 2.131 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@@H](n2ccnc2)C1 69660167 QQKUYQKUTYQAKV-GFCCVEGCSA-N 311.345 2.344 0 40 DEAB O=C(CCC(=O)N1CCSc2ccccc21)NCC1CC1 69663823 QNUYDKMAZLJMSW-UHFFFAOYSA-N 304.415 2.432 0 40 DEAB COc1ccc(CC(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 33062625 DEZVAYSCSQDIKI-UHFFFAOYSA-N 302.305 2.114 0 40 DEAB COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 804707 IZXRHQDJFSXCGP-UHFFFAOYSA-N 313.766 2.355 0 40 DEAB aggregator CCc1nccn1[C@H]1CCCN(C(=O)c2cncc(O)c2)C1 171870960 HSCQZRMCCPCMBC-ZDUSSCGKSA-N 300.362 2.023 0 40 DEAB COc1ccc(NC(=O)[C@H](C)NC(C)=O)cc1OC1CCCC1 24505680 IBNVQVOQGRRDGN-NSHDSACASA-N 320.389 2.480 0 40 DEAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H]2CCN(C(C)C)C2)c1 106159007 FZXJHZVYERREGZ-HOCLYGCPSA-N 318.417 2.255 0 40 DEAB Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccoc2)CC1 25236090 BMAAFCNWUGEGNO-UHFFFAOYSA-N 312.369 2.115 0 40 DEAB COc1ccc(CNC2CCN(CC(F)F)CC2)cc1O 57978716 UUUPNSMMVZZSPQ-UHFFFAOYSA-N 300.349 2.220 0 40 DEAB Cc1nc(-c2ccc(CNC(=O)c3ccc[nH]c3=O)o2)cs1 12619979 FTKYUUXDEUHNED-UHFFFAOYSA-N 315.354 2.330 0 40 DEAB Cc1cc(CNC(=O)[C@@H](C)S(C)(=O)=O)c2[nH]c(C)c(C)c2c1 58208918 XOUIGEGATRXKIQ-GFCCVEGCSA-N 322.430 2.142 0 40 DEAB COc1ccccc1S(=O)(=O)N[C@H]1COc2ccccc21 58507184 KGAJNQNPCSYHKB-LBPRGKRZSA-N 305.355 2.107 0 40 DEAB C[C@H](C(=O)Nc1ccccc1)N1C(=O)CC2(CCCC2)C1=O 8326823 HWTMHZFYYJAPJF-GFCCVEGCSA-N 300.358 2.333 0 40 DEAB Cc1cc(C)cc(-c2cc(NC(=O)[C@H]3COCCO3)[nH]n2)c1 69416059 IFBWFTQSSMRHQI-CQSZACIVSA-N 301.346 2.047 0 40 DEAB in-vitro Cc1ccc([C@@H]2[C@@H](C(=O)O)CC(=O)N2Cc2c(C)noc2C)o1 69492354 MICKXOZQHJKKGO-NHYWBVRUSA-N 318.329 2.367 0 40 DEAB CC(C)OCc1ccc(CNC(=O)c2ccn(C)c(=O)c2)cc1 49133943 HSNYQHKDHYWDMO-UHFFFAOYSA-N 314.385 2.240 0 40 DEAB C[C@@](NC(=O)NCc1cccc(F)c1)(C(=O)O)c1ccco1 65554038 TZIOZOTVRMPCMC-HNNXBMFYSA-N 306.293 2.218 0 40 DEAB CON(C)C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F 65591056 BLJCHHLKHWZMSK-UHFFFAOYSA-N 318.230 2.059 0 40 DEAB Cc1cccc(C2(C(=O)N[C@@H]3CCS(=O)(=O)C3)CCCC2)c1 65586812 XVOLYMYYACPZGW-OAHLLOKOSA-N 321.442 2.110 0 40 DEAB O=C(CN1CCO[C@H](c2ccccc2F)C1)Nc1nccs1 66846287 YEGNDIQXGMUKDZ-ZDUSSCGKSA-N 321.377 2.294 0 40 DEAB C[C@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)[S@@](C)=O 90620489 LBYHLCHVIMJHTH-SBKAZYGRSA-N 314.838 2.175 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)Nc2c(C)nn(C)c2C)cc1 9313966 AZXYXRFXEOEGAQ-JXMROGBWSA-N 313.357 2.475 0 40 DEAB Cn1cc([C@@H]2CCCN2CC(=O)N2CCc3ccccc3C2)cn1 71797329 GUOCGWVHJXLLHA-SFHVURJKSA-N 324.428 2.142 0 40 DEAB COc1cccc(C)c1C(=O)N1CCO[C@H](C(F)(F)F)C1 71745566 UTVHTHPTOZUVST-NSHDSACASA-N 303.280 2.407 0 40 DEAB NC(=O)COC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12 83687269 ADFRIWJRQNDRDU-UHFFFAOYSA-N 304.733 2.408 0 40 DEAB CC(C)(C)c1nc(CN2CCC[C@@H](N3CCNC3=O)C2)cs1 71830555 JHAXDDTXWREPAO-CYBMUJFWSA-N 322.478 2.430 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)COCC(F)(F)F)n1 71870190 NVSRUEZZSIQLTA-GFCCVEGCSA-N 319.327 2.070 0 40 DEAB CCCNC(=O)COC(=O)c1snc(-c2ccccc2)c1N 72296030 OCVRCDOOGNUAPX-UHFFFAOYSA-N 319.386 2.075 0 40 DEAB CC[C@@](C)(CO)NC(=O)c1ccc(F)c(Br)c1 97081767 TZEFOWBADXZLGQ-LBPRGKRZSA-N 304.159 2.479 0 40 DEAB COc1cc(Br)cc(NC(=O)N2CC[C@H](O)C2)c1 97085235 WXKQJUZLQOTUNI-JTQLQIEISA-N 315.167 2.056 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NCC(C)(C)O 97162038 LVUYOEDDNLBDMU-CYBMUJFWSA-N 306.406 2.185 0 40 DEAB CC(C)n1ccc(CNC(=O)NC[C@@H](O)c2ccsc2)n1 76018947 RQFOZAXYMXUPQX-CYBMUJFWSA-N 308.407 2.058 0 40 DEAB Cc1cc(C(=O)N2CCOCC2)c2cnn(C3CCCC3)c2n1 72404002 SVMWWKVXTISKNU-UHFFFAOYSA-N 314.389 2.327 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccccc2F)c(F)c1 76081897 MXTUMSTXEGQRBG-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB C[C@H]1COc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C 72531375 PHOOGTBSTGBTHU-NSHDSACASA-N 308.341 2.396 0 40 DEAB CC[C@@H](C)[C@@H](C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 87898762 MQKNCEBTZGFFJS-BXKDBHETSA-N 312.435 2.115 0 40 DEAB O=C(c1cc[nH]c(=O)c1)N(CCCO)Cc1cccc(Cl)c1 95441464 PHQQLOZCAXFMJA-UHFFFAOYSA-N 320.776 2.053 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)Cc2noc3ccccc23)o1 78964095 STWHJLJGPXLIKS-QGZVFWFLSA-N 314.341 2.296 0 40 DEAB C[C@@H](C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1)S(C)(=O)=O 79040779 IJIATCVOBSUYFW-ZUZCIYMTSA-N 321.398 2.433 0 40 DEAB CC[C@@H]1Oc2cc([C@H](C)NCCn3cccn3)ccc2NC1=O 95985458 NAQYSBSSCLVLEC-WFASDCNBSA-N 314.389 2.343 0 40 DEAB CN(C)C(=O)[C@@H](Cc1ccccc1)Nc1ccc2nccnc2n1 95975482 GNALKPWUHNZBTP-OAHLLOKOSA-N 321.384 2.136 0 40 DEAB CCC(=O)N1CCCN(Cc2cn(C)nc2C(C)(C)C)CC1 95986588 HOUMLKCMLJVUQF-UHFFFAOYSA-N 306.454 2.162 0 40 DEAB COc1cc(NCc2cc(OC)c(OC)c(OC)c2)ncn1 95971337 SSLXBBRXUPXCQY-UHFFFAOYSA-N 305.334 2.123 0 40 DEAB CCC(CC)N(C)C(=O)[C@H](O)[C@@H](O)c1nc2ccccc2s1 95997754 SCUNFWKDBARQSM-ZIAGYGMSSA-N 322.430 2.338 0 40 DEAB CCc1cnc(CCNC(=O)N(C)Cc2ccncc2)s1 74841476 POLCEXKSQDEJNW-UHFFFAOYSA-N 304.419 2.485 0 40 DEAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)NCC(F)(F)F 32876785 LSIHNMDUDAHACO-LURJTMIESA-N 321.280 2.489 0 40 DEAB Cc1cc(C(=O)NCCOc2ccc(C(=O)O)cc2)c(C)o1 537483205 ZTFPRNXZPKDPCP-UHFFFAOYSA-N 303.314 2.403 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2cn(C)nc2C)c2c(C)noc2n1 36613746 SPGKLJKITBJJPO-VIFPVBQESA-N 313.361 2.373 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3-c2ccncc2)on1 71195712 DEIULWGVELJLPC-AWEZNQCLSA-N 323.356 2.371 0 40 DEAB COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)s1 225388600 LHLQSFMGICFANS-UHFFFAOYSA-N 315.347 2.475 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N2CCC(C)CC2)cc1 44848837 AQLVXQKQFZZKIQ-UHFFFAOYSA-N 311.403 2.035 0 40 DEAB Cn1ccc(CN[C@H]2CCO[C@@H]2c2nccn2-c2ccccc2)n1 575009074 VFFLUDSGDYAHDI-IRXDYDNUSA-N 323.400 2.226 0 40 DEAB Cc1ccc(NCc2nnsc2Cl)cc1-n1nnnc1C 89104675 BEYKDJIKKBANJM-UHFFFAOYSA-N 321.797 2.396 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1nc2c(s1)CCCC2 40287833 WZHPOCIXPSCJNG-UHFFFAOYSA-N 313.404 2.428 0 40 DEAB O=C(NC1CCCCCCC1)c1cc(N2CCOCC2)on1 224081537 WYHHFEHTRRYFCY-UHFFFAOYSA-N 307.394 2.354 0 40 DEAB Cc1cc(I)cc(/C=C/C(=O)O)c1O 83316893 QQIDGCMMUACLFI-NSCUHMNNSA-N 304.083 2.403 0 40 DEAB CCN(C)c1ncnc2c1CCN(Cc1ccc(C)o1)CC2 96058790 BNBSQIHJHYXMAP-UHFFFAOYSA-N 300.406 2.435 0 40 DEAB Cc1c(-c2ccccc2)nc(S[C@@H]2CCN(C)C2=O)[nH]c1=O 97094763 SQAIMKRTRAFLSS-GFCCVEGCSA-N 315.398 2.068 0 40 DEAB Fc1ccc(CN2CC[C@@]23CCN(Cc2cc[nH]n2)C3)cc1 96076077 PIBIDVUHKJECPM-QGZVFWFLSA-N 300.381 2.399 0 40 DEAB CC[C@@H](N)C(=O)N1CC2(CCNCC2)c2cc(Cl)ccc21 96156951 WXZOIWYXSVCGRS-CYBMUJFWSA-N 307.825 2.045 0 40 DEAB O=C(OCc1ccsc1)[C@H]1CC(=O)N(Cc2ccco2)C1 96442680 CNONETYDLNZYNL-LBPRGKRZSA-N 305.355 2.433 0 40 DEAB Cc1ccnc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257241430 HYAFTGXGTYUYHE-KXPUMZMLSA-N 309.369 2.398 0 40 DEAB O=C(c1cnccn1)N1C[C@H]2CC[C@H](Cc3ccccn3)[C@H]2C1 257255680 KILRZYOUZRRIQT-IIAWOOMASA-N 308.385 2.213 0 40 DEAB Cc1nccc(C(=O)N2Cc3nccn3C[C@H]2c2ccccc2)n1 257220350 DKMKQWOLJIAJPW-INIZCTEOSA-N 319.368 2.379 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 41398198 LQAFKKXCBQTOBW-UHFFFAOYSA-N 314.744 2.393 0 40 DEAB COc1ccc(C2(C(=O)N3CC[C@H](c4ccn[nH]4)C3)CC2)cc1 257218295 DCOKMQQDKYXHPY-ZDUSSCGKSA-N 311.385 2.466 0 40 DEAB Cc1ccc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)cn1 257287937 PSCYCWPIUPXYON-HNNXBMFYSA-N 312.373 2.352 0 40 DEAB Cn1cc(C(=O)N[C@H](c2ccsc2)c2cccs2)nn1 390826888 QOYLEVYNSLLCQH-GFCCVEGCSA-N 304.400 2.458 0 40 DEAB c1cncc(CN2Cc3ccnn3[C@H](CCN3CCCC3)C2)c1 585112877 XRHOVHCBVDRIER-GOSISDBHSA-N 311.433 2.321 0 40 DEAB Cc1nn2c(=O)cc(CN(C3CC3)[C@H](C)C3CC3)nc2s1 52607048 CLYYQDNWUHNDPD-SECBINFHSA-N 304.419 2.222 0 40 DEAB Cc1ncsc1C(=O)N1CCCC[C@H]1C(=O)NC(C)(C)C 69594799 DJDXHRSIIBQWHW-NSHDSACASA-N 309.435 2.361 0 40 DEAB O=C(NCCOc1ccc(F)c(F)c1)NCCc1ccccn1 69589530 COPYOTNLCZAZJR-UHFFFAOYSA-N 321.327 2.281 0 40 DEAB Cc1cc(C)n([C@@H](CNC(=O)[C@H]2CCOC2)c2cccs2)n1 585368995 MTVMOUSNLHPEDE-KBPBESRZSA-N 319.430 2.304 0 40 DEAB C[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(Br)cn1C 97232721 XWNZPZRUUCUJQV-MWLCHTKSSA-N 315.211 2.163 0 40 DEAB CCCn1nnnc1NC(=O)COc1ccc(C(C)C)cc1 569519 XAGXKYHEFOQAOM-UHFFFAOYSA-N 303.366 2.224 0 40 DEAB CCN(CCNC(=O)[C@H](NC(C)=O)C(C)C)c1cccc(C)c1 12552320 GQORKZZOBYQWQI-QGZVFWFLSA-N 319.449 2.098 0 40 DEAB O=C(CN1CCC(O)(c2ccccc2F)CC1)N1CCCCC1 19347958 OZVBAEYVGDVVHG-UHFFFAOYSA-N 320.408 2.122 0 40 DEAB O=C1N[C@]2(CCc3ccccc31)CCN(Cc1ccncc1)C2 19375273 SCQVUZFHMVHKGY-LJQANCHMSA-N 307.397 2.402 0 40 DEAB CCN1CCO[C@H](c2c(C(=O)NC)sc3ncccc23)C1 19702909 FQUBPLGPXFUVHH-NSHDSACASA-N 305.403 2.049 0 40 DEAB COC(=O)C1(NC(=O)c2ccc(OC)cc2F)CCCCC1 25174011 YFYJWWRHOVNUKP-UHFFFAOYSA-N 309.337 2.440 0 40 DEAB Cc1cccc(NC(=O)C(=O)NCCc2ccccc2F)c1 4359330 JDJOWZJPLSOLHJ-UHFFFAOYSA-N 300.333 2.432 0 40 DEAB Cc1cncc(C(=O)NCc2ccc(Br)cc2)n1 1889133947 ISPKQNKSIGRSDL-UHFFFAOYSA-N 306.163 2.478 0 40 DEAB O=C(Cc1cccnc1)N1CC[C@H](n2cnc3ccccc32)C1 575616889 KYXYNOFJJUURGF-HNNXBMFYSA-N 306.369 2.447 0 40 DEAB O=C(O)CCCNS(=O)(=O)c1ccc2c3c(cccc13)CC2 226861276 DRQXYBHKDKVDAI-UHFFFAOYSA-N 319.382 2.082 0 40 DEAB CSc1ncccc1C(=O)NC[C@](O)(c1ccco1)C1CC1 85436414 RJFPNROGELCLSV-MRXNPFEDSA-N 318.398 2.424 0 40 DEAB CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 74131 KZZPEHIODMPEIF-LBPRGKRZSA-N 310.419 2.456 0 40 DEAB COc1ccc(C2=N/C(=C/Nc3nc(C)cc(C)n3)C(=O)O2)cc1 100324050 WSWJBYIMSXFDNE-NTEUORMPSA-N 324.340 2.359 0 40 DEAB CCc1nnsc1C(=O)NC[C@H](c1ccco1)N1CCCC1 40473749 NAUZSQVQMXFQFI-GFCCVEGCSA-N 320.418 2.260 0 40 DEAB CCn1cc(NS(=O)(=O)c2cccc(Cl)c2)ccc1=O 40554161 NKZDPJRUDHMLDF-UHFFFAOYSA-N 312.778 2.322 0 40 DEAB CN1CCC(N(C)C[C@H](NC(=O)C2CC2)c2ccccc2)CC1 69326057 VHLUKNDYQHQHLR-SFHVURJKSA-N 315.461 2.280 0 40 DEAB C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccccc1 46107492 MXXSMFDKWNNVMH-ZDUSSCGKSA-N 309.431 2.439 0 40 DEAB Cc1cccc(OCC(=O)Nc2cnn(CCCC(=O)O)c2)c1 1424803 AJWOXCIBXSCNAT-UHFFFAOYSA-N 317.345 2.074 0 40 DEAB Cc1ccc(N2C[C@@H](NC(=O)Nc3ccccn3)CC2=O)cc1 4272581 LLMMIYVKITYCRT-ZDUSSCGKSA-N 310.357 2.317 0 40 DEAB CCCNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 4568843 MRICZXPSDBXMJI-UHFFFAOYSA-N 301.375 2.124 0 40 DEAB CCNC(=O)CCCN(c1ccc(Cl)cc1)S(C)(=O)=O 8049328 AFCOQSFIXNRWQK-UHFFFAOYSA-N 318.826 2.022 0 40 DEAB CC(=O)c1ccc(OC[C@@H](O)CNCc2cccs2)cc1 2661989 IISUGOAWMSSHGE-AWEZNQCLSA-N 305.399 2.480 0 40 DEAB CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CC(=O)OC 12062252 GDUBGJRESYMDEN-CQSZACIVSA-N 315.373 2.283 0 40 DEAB COC(=O)C(C)(C)NC(=O)Cc1ccc(-n2cccc2)cc1 41826479 YRXLUWORSBZSQE-UHFFFAOYSA-N 300.358 2.088 0 40 DEAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1cccs1 28284156 JXMUEURKNDHQKP-UWVGGRQHSA-N 324.427 2.485 0 40 DEAB Cc1nn(CCC(=O)NC2CCCC2)cc1Br 2804907 HTTLJINATJXXPD-UHFFFAOYSA-N 300.200 2.403 0 40 DEAB Cc1ncsc1CN1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108534373 HQWYHXVFDHJNKY-GJZGRUSLSA-N 307.463 2.137 0 40 DEAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1OC 999620 MNOZCXRIMSCLGL-QPNXVFALSA-N 319.357 2.389 0 40 DEAB CC(C)CC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 1273271 MHOMTDSHJIMQIM-GFCCVEGCSA-N 313.361 2.194 0 40 DEAB O=S(=O)(NCc1ccccc1)NCc1ccc(Cl)cc1 1403225 BZZKUNUDMVCXKI-UHFFFAOYSA-N 310.806 2.464 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@@H]2CC(=O)N([C@H](C)c3cccnc3)C2=O)C1 107497775 OZARIMVYHKFHTF-HLPPOEQASA-N 315.417 2.248 0 40 DEAB C=Cn1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 10119677 RGQLDUVUPQDHNF-UHFFFAOYSA-N 307.741 2.223 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N[C@H]1CCN2CCCC[C@@H]12 58299835 CGZPDVQMKHAYJQ-HOTGVXAUSA-N 312.417 2.088 0 40 DEAB Cc1ccc(O)c(C(=O)N[C@H](CC(N)=O)C2CCCCC2)c1 177280964 JERILIQBCVYVBF-CQSZACIVSA-N 304.390 2.255 0 40 DEAB COc1ccc2nc(N3CCN(c4cnccn4)CC3)ccc2c1 44975196 XSPZBWDMNITNIV-UHFFFAOYSA-N 321.384 2.360 0 40 DEAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccncc1 44913470 PEOPDMQXFCMVHS-UHFFFAOYSA-N 310.279 2.337 0 40 DEAB COc1c(CN[C@@H]2CCCc3c2cnn3C)c(C(C)C)nn1C 58419991 SJWWDCKWGUTEKC-CQSZACIVSA-N 317.437 2.453 0 40 DEAB O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C1CCC1 58403162 RZPPBZNECAKYON-GFCCVEGCSA-N 317.307 2.361 0 40 DEAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1OC 58439767 LMCXZDYQMBOKCX-GXSJLCMTSA-N 312.391 2.051 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)[C@@H]1C 68883080 GVHHFPVSXWTCPN-ZSAUSMIDSA-N 320.433 2.103 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)NCCOc1ccc(C(C)C)cc1 48497622 XLMCMTHBQACTSL-KRWDZBQOSA-N 318.417 2.316 0 40 DEAB CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)cs1 48441904 MLTJKLQZTBUOTG-UHFFFAOYSA-N 315.347 2.411 0 40 DEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)n1nnc2ccccc21 12937076 AYFCEPFCFSLILP-JTQLQIEISA-N 310.313 2.360 0 40 DEAB Cc1ccc(N2CCCN(C(=O)c3cc(Cl)c[nH]3)CC2)nn1 69511679 BDENYGKRBWRMEI-UHFFFAOYSA-N 319.796 2.119 0 40 DEAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cnc2ccccc2n1 63828969 XBEOCAJEVYGVAX-UHFFFAOYSA-N 317.308 2.119 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H]2CCCc3c2cnn3C)cc1 26850576 FCTSINIFDLXPOK-AWEZNQCLSA-N 305.403 2.084 0 40 DEAB Nn1c(SC[C@@H]2CCCCO2)nnc1-c1ccccc1F 22132699 QIVZASIFSFWXBM-JTQLQIEISA-N 308.382 2.459 0 40 DEAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ncc(Cl)n1C 69842861 HQTPUFYOBGDQHN-ZYHUDNBSSA-N 318.808 2.441 0 40 DEAB Cc1nnc2n1C[C@@H](NC(=O)CCc1cc3ccccc3o1)CC2 65473984 PXEQNTHAUVNHHH-AWEZNQCLSA-N 324.384 2.397 0 40 DEAB Cc1ncc(CS(=O)(=O)CC(=O)Nc2ccccc2C)s1 65547999 PIKWYYKSYLTOJH-UHFFFAOYSA-N 324.427 2.313 0 40 DEAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCO3)c2C(N)=O)C1 5476589 YCIXBZGYLSSJIJ-KOLCDFICSA-N 322.430 2.479 0 40 DEAB O=S(=O)(c1ccc(SCCCO)cc1)C(F)(F)F 90106955 NJESMLPAQMNQPD-UHFFFAOYSA-N 300.323 2.455 0 40 DEAB C[C@@H](NC(=O)Nc1nc(-c2cccnc2)cs1)c1nc[nH]n1 92868430 XCDGDHBZXQXQDN-MRVPVSSYSA-N 315.362 2.206 0 40 DEAB C[C@H](NC[C@@H](C)[S@](C)=O)c1cccc(N2CCOC2=O)c1 90843563 ISRHFWLOFWMTDX-SMDDFHAHSA-N 310.419 2.061 0 40 DEAB Cc1cc(CN2C(=O)N[C@@](C)(c3cc(F)ccc3F)C2=O)no1 7938664 DLDOTJUGCAFFOB-HNNXBMFYSA-N 321.283 2.228 0 40 DEAB C[C@H](Cc1ccsc1)NC(=O)NCCCNC(=O)C1CCC1 89904302 HEFCRTXXHXHFNY-GFCCVEGCSA-N 323.462 2.285 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H]2c2cnn(C)c2)cc1F 71796953 HNEVAYZUOUIQMD-HNNXBMFYSA-N 317.364 2.474 0 40 DEAB CC[C@@H]1CCCC[C@@H]1OC(=O)C1CCC2(CC1)NC(=O)NC2=O 71913753 HHENHJDQDPGNPR-QGXCKBJSSA-N 322.405 2.267 0 40 DEAB COCc1cc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)ccc1F 72291346 SWRWYGRAABXFFV-CQSZACIVSA-N 317.364 2.222 0 40 DEAB Brc1cccc(Cc2noc(Cn3cncn3)n2)c1 72274976 RRTAWPIFFXPXNL-UHFFFAOYSA-N 320.150 2.063 0 40 DEAB COc1cccc(CN(C)C(=O)CCc2cn(C)nc2C)c1 72285389 CUVYOGOAZSAOPW-UHFFFAOYSA-N 301.390 2.328 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)c(C)n1CC1CC1 72270984 SCTQAXRAEAEAJB-HNNXBMFYSA-N 312.417 2.456 0 40 DEAB NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2cnccc12 97009250 VDVCHSVGABMNFD-WFASDCNBSA-N 319.430 2.031 0 40 DEAB Cc1ccc(O)c(CN(C)Cc2nc(O)c3sccc3n2)n1 97162311 TXLSESDARMYIPV-UHFFFAOYSA-N 316.386 2.438 0 40 DEAB Cn1cncc1CCNc1nc(-c2ccccn2)nc2c1CCC2 97108390 HKVOHBKSPATHKJ-UHFFFAOYSA-N 320.400 2.415 0 40 DEAB CCc1cnccc1C(=O)N(C)c1cccc(S(C)(=O)=O)c1 97110833 KGHKRNFTRWIVQW-UHFFFAOYSA-N 318.398 2.324 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N2C[C@H](C)CC[C@@H]2C)c1 72304219 IESMTPCEQDXJPO-KGLIPLIRSA-N 317.433 2.419 0 40 DEAB CC(C)NC(=O)c1ccc(C(=O)N(C)[C@H](CO)C(C)(C)C)cc1 97374967 ZEFQDABBFDDYOA-OAHLLOKOSA-N 320.433 2.304 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1C=C(c2cccnc2)N=N1 97372678 XRAJJAQYVUBTOX-HOTGVXAUSA-N 308.297 2.624 0 40 DEAB O=C(O)[C@@H]1CCCCN1C(=O)C[C@@H]1CCOc2ccccc21 95424204 DDFIFMZSRIRIMM-JSGCOSHPSA-N 303.358 2.409 0 40 DEAB CNC(=O)c1ccc(NC(=O)Nc2cnn(C)c2)c(Cl)c1 95448155 ULDMOEMTCMCKBG-UHFFFAOYSA-N 307.741 2.077 0 40 DEAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(C)C[C@@H]1CCOC1 95408162 KBFUGVCWKUWTCV-ZFWWWQNUSA-N 304.390 2.415 0 40 DEAB Cc1cc(Br)cnc1NC[C@H](O)c1cnn(C)c1 95412091 DPSZTJBRPXSOGK-NSHDSACASA-N 311.183 2.032 0 40 DEAB COc1cc(C2(C(=O)N3C[C@H](C)[C@@H](N(C)C)C3)CC2)ccc1C 78895114 GRJOWQDFRNPMKM-HOCLYGCPSA-N 316.445 2.444 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)NCCc2csc(C)n2)o1 78940375 GHONTSWDWLZLPY-OAHLLOKOSA-N 323.418 2.102 0 40 DEAB CCOC(=O)c1csc(CNC(=O)c2ccc(CC)o2)n1 74078856 QXZZHVMUQLIDSC-UHFFFAOYSA-N 308.359 2.405 0 40 DEAB COc1cc(CNc2nnc3ccccn23)cc(OC)c1OC 95990321 XPNCAKLSXDKPSD-UHFFFAOYSA-N 314.345 2.367 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 95950667 MVISCZYEOVJUFI-LLVKDONJSA-N 312.772 2.149 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cnccn1 95978293 CZNWTMPZKJLJCW-SNVBAGLBSA-N 320.755 2.278 0 40 DEAB CC(=O)N1CCC(C(=O)OC(C)(C)c2ccc(C)nc2)CC1 95942825 APMQNFYWHOQYIA-UHFFFAOYSA-N 304.390 2.427 0 40 DEAB COC(=O)c1nn(Cc2noc(C(C)C)n2)c2c1CCCC2 95993939 HTLWFHSBJHEWIJ-UHFFFAOYSA-N 304.350 2.103 0 40 DEAB O=C(NCCCCn1ccccc1=O)N1C[C@H]2CC=CC[C@@H]2C1 74266591 RWNSJDYNTYEEGO-HZPDHXFCSA-N 315.417 2.236 0 40 DEAB Cc1cc(C)c(CNC(=O)NCc2cc(F)cc(F)c2)c(=O)[nH]1 75111215 KCJWFFPEIZKRQF-UHFFFAOYSA-N 321.327 2.269 0 40 DEAB CS[C@@H](C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 75121115 HUTZJPZLKSTCRT-LBPRGKRZSA-N 318.446 2.255 0 40 DEAB CN(C[C@H]1Cc2ccccc2O1)c1ccc(-c2nccn2C)nn1 67431807 OOSAOBRETXJXMP-CQSZACIVSA-N 321.384 2.317 0 40 DEAB CCOc1cc(N2CCC(c3nncn3C3CC3)CC2)ncn1 124945945 USIAICLKSQERNJ-UHFFFAOYSA-N 314.393 2.186 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1cccc(Cl)c1 409383376 WZAIVRPHXJPCDH-YXMPFFBPSA-N 307.733 2.323 0 40 DEAB O=C1c2ccccc2C(=O)N1Oc1c(F)c(F)nc(F)c1F 1507210 RCTLNOQUKXJBGO-UHFFFAOYSA-N 312.178 2.228 0 40 DEAB biogenic C[C@H](NC(=O)c1ccc2cccnn12)c1ccc2c(c1)CC(=O)N2 1541033407 IZEOIOCQBWPZQB-NSHDSACASA-N 320.352 2.320 0 40 DEAB Cc1csc(NC(=O)CCc2c(C)nn3cnnc3c2C)n1 71285730 CKWNWPHLKMQYMC-UHFFFAOYSA-N 316.390 2.077 0 40 DEAB CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cccs1 74916229 OTZNFQOXOQSCIF-UHFFFAOYSA-N 311.384 2.344 0 40 DEAB CCN(Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1 79415484 BVQBINCPPIXRPX-RDJZCZTQSA-N 303.450 2.094 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc(NCC)c(C(=O)O)c1 217697954 UUTPILFIFWIPQA-JTQLQIEISA-N 314.407 2.284 0 40 DEAB Cc1cccc(/C=C/C(=O)NC[C@@H](C(C)C)N2CCOCC2)c1 32298205 ZHVLTQBASLVTHR-DVBCCOPCSA-N 316.445 2.481 0 40 DEAB Cc1nc(NCc2ccc(F)cc2)cc([C@@H]2COCCN2)n1 72366357 HFCXMDUQYVPHHI-HNNXBMFYSA-N 302.353 2.197 0 40 DEAB O=C(NCCc1ccc(F)cc1)c1cc2c(cc1O)OCO2 48180162 UDFXTKRQQKRLTL-UHFFFAOYSA-N 303.289 2.233 0 40 DEAB Cc1ccc(F)c(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1 79094161 APTPEIIPMOHKCX-NSHDSACASA-N 313.394 2.172 0 40 DEAB N#Cc1ccc(N2CCCN(Cc3ccccc3)CC2)nc1N 568243508 DALNSDBCGLRAAF-UHFFFAOYSA-N 307.401 2.248 0 40 DEAB Cc1noc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1 41121776 DJIVFSBZAWEFMF-UHFFFAOYSA-N 313.404 2.008 0 40 DEAB Cn1nccc1C1CCN(C(=O)CCC(=O)OC(C)(C)C)CC1 192392574 SZVPVRFDJYBPIG-UHFFFAOYSA-N 321.421 2.248 0 40 DEAB Cc1ccc(C(=O)N2CC[C@]3(CCN3Cc3cnn(C)c3)C2)cc1 96228696 GGFKZWKTKWGXDN-IBGZPJMESA-N 324.428 2.219 0 40 DEAB COc1ccc(NC(=O)c2cc(C)oc2C)cc1-n1cnnn1 96423510 XVFXDIGLWXSVKD-UHFFFAOYSA-N 313.317 2.133 0 40 DEAB O=C(c1cn(-c2ccccn2)c(=O)c2ccccc12)n1ccnc1 94993234 GHNGNHVTANUTKI-UHFFFAOYSA-N 316.320 2.271 0 40 DEAB CO[C@H]1COCCN(C(=O)c2ccc(C(F)(F)F)cc2)C1 96113188 UXBWMBCGVIVJTG-GFCCVEGCSA-N 303.280 2.193 0 40 DEAB biogenic,in-vitro C[C@@H](CNC(=O)Cc1cnn(C)c1)Oc1ccc(Cl)cc1 96431986 LAJAVUTWVDDLPV-NSHDSACASA-N 307.781 2.200 0 40 DEAB C[C@H](CNC(=O)c1ccn(C)c(=O)c1)c1ccc(F)c(F)c1 96432605 FUDATSARTQKJGT-SNVBAGLBSA-N 306.312 2.197 0 40 DEAB CCCn1nnnc1CNc1ccc(C)c(NC(C)=O)c1C 96453396 QQKXTMKQFFNSJU-UHFFFAOYSA-N 302.382 2.270 0 40 DEAB O=C(NCC1(O)CCC1)N[C@@H](c1ccccc1)[C@H]1CCCO1 96416071 VHSACLBYUIZHMH-CABCVRRESA-N 304.390 2.121 0 40 DEAB C[C@@](Br)([C@@H](O)c1cccc(F)c1)S(C)(=O)=O 96521273 WTLIDXXSLBUDNV-UWVGGRQHSA-N 311.172 2.015 0 40 DEAB CO[C@H]1CCN(C(=O)c2cnoc2C)[C@H]1Cc1ccccc1 96200383 SVAXQSWYWMWYNX-HOTGVXAUSA-N 300.358 2.455 0 40 DEAB C[C@@H]1CN(C(=O)NCc2cc[nH]n2)C[C@@H](c2ccsc2)O1 96470041 HNEOISWTWCODIL-MFKMUULPSA-N 306.391 2.143 0 40 DEAB O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3ccoc3)CC2)N1 96061544 BVESIXZNAZNAGW-INIZCTEOSA-N 311.385 2.313 0 40 DEAB O=c1oc2ccccc2n1[C@@H]1CCCN(C[C@H]2CCOC2)C1 247797999 DLCHUJATCCOBPN-ZIAGYGMSSA-N 302.374 2.268 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(c3ccc(F)cn3)C[C@@H]21 257285206 PGCIJOFSUGETKZ-VHDGCEQUSA-N 313.380 2.362 0 40 DEAB CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 252477793 VPEVIOBGWRHLJO-NXOAAHMSSA-N 323.481 2.173 0 40 DEAB O=C(c1cncc(-c2cncnc2)c1)N1CCC(F)(F)CC1 257219438 DGTOQQRTBMGAJQ-UHFFFAOYSA-N 304.300 2.410 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3ccccc3n2)n1 257310918 UHEIRSFIMIBSDS-INIZCTEOSA-N 322.368 2.480 0 40 DEAB C[C@H](CN[C@@H](c1ccccc1)c1ncc[nH]1)N1CCOC[C@H]1C 253370934 YLKHQWQXJDOZMT-INMHGKMJSA-N 314.433 2.198 0 40 DEAB CN(C(=O)CCc1ccccc1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O 257337938 YVBWZIUCIHMULU-JFIYKMOQSA-N 313.401 2.039 0 40 DEAB C[C@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1cncc(F)c1 359293595 NUDNVLWCOHPHQS-LRDDRELGSA-N 317.364 2.185 0 40 DEAB CCN1C[C@H](c2nc(Cc3c(F)cccc3F)no2)CC1=O 390833712 LVIUMWNNNSBGCE-SECBINFHSA-N 307.300 2.274 0 40 DEAB O=C(NCc1cccs1)N[C@H]1CCN(c2ccccn2)C1 162781370 SGXSHWVRUDYDTR-LBPRGKRZSA-N 302.403 2.221 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC[C@H]1COCCO1 57080528 JBLIEZDQRXDDCB-GXTWGEPZSA-N 322.405 2.316 0 40 DEAB CN(CC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1 68533778 GLWBCZCDJYJRSX-QGZVFWFLSA-N 323.396 2.045 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccncc1 69415939 GLRNCIWJCVXJFR-GFCCVEGCSA-N 323.418 2.008 0 40 DEAB COC(=O)N1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(C)c2)CC1 69537820 ZJFRPDRJNGUZIV-HOTGVXAUSA-N 316.401 2.446 0 40 DEAB CC(C)n1nccc1C(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1 97370813 GLLXIXITPFLQNO-UHFFFAOYSA-N 372.444 2.772 0 40 DEAB C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccnn2C)CC1 97378455 QZTJSZMTIRLXNN-LBPRGKRZSA-N 304.419 2.001 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2ccc(N)cc2)CC1 83545 LNWURGYRESTCAD-UHFFFAOYSA-N 311.385 2.240 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 864340 ZEJJWLIDYWAGNJ-HOTGVXAUSA-N 302.418 2.370 0 40 DEAB Cc1ccc(/C=C/C(=O)NC(=S)N2CCSCC2)cc1 324667 URGHTRSUBASJRX-VOTSOKGWSA-N 306.456 2.458 0 40 DEAB CO[C@@H](CCSC)CNS(=O)(=O)c1cccc(Cl)c1 1775967527 VJFDQFOWNCFKLK-NSHDSACASA-N 323.867 2.386 0 40 DEAB CCC(=O)NC(=S)Nc1ccc(N2CCN(CC)CC2)cc1 5822700 XTZUZTOPTBVQKJ-UHFFFAOYSA-N 320.462 2.052 0 40 DEAB Cn1cc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)cn1 12183945 RLIMFTVOGYZIJC-CQSZACIVSA-N 312.373 2.165 0 40 DEAB Cn1ncc2c1CCc1sc(NC(=O)C3CCOCC3)nc1-2 12327314 KFCRATYIHUCYRG-UHFFFAOYSA-N 318.402 2.007 0 40 DEAB CNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 19947618 ZKFYFIQUCVGASW-UHFFFAOYSA-N 318.398 2.012 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1cc(F)ccc1Br 169219008 PDDZCLOCARPSPP-ZANVPECISA-N 302.187 2.491 0 40 DEAB Cc1cccc(N2CCC(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)n1 157042880 WYLDCIUFSSNIEW-GASCZTMLSA-N 317.433 2.242 0 40 DEAB Cc1ccnc(OC[C@]23CCC[C@H]2CN(c2ncccn2)C3)n1 1888860264 JCQIVNHCLPVJSB-WMLDXEAASA-N 311.389 2.261 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cc1 1888860511 QCVSPAMBVMXSRP-GASCZTMLSA-N 320.458 2.100 0 40 DEAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ncn(C)c1Cl 26527000 URMWQIRCNYSMFM-VIFPVBQESA-N 311.794 2.213 0 40 DEAB O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1cccc(F)c1 9171777 LZDURGFNOLFYLG-UHFFFAOYSA-N 300.289 2.200 0 40 DEAB CC(C)NC(=O)c1noc2c1C[C@H](NCc1ccccc1)CC2 2055739163 MOINTBSVMNGHMX-CQSZACIVSA-N 313.401 2.460 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)c2cc(=O)nc[nH]2)cs1 208010328 XERANRNHHBELTH-UHFFFAOYSA-N 312.354 2.454 0 40 DEAB O=C(Cn1nc(C2CC2)ccc1=O)N[C@H]1CCCc2ccccc21 575619094 GJKVAJMPHCQDKH-KRWDZBQOSA-N 323.396 2.315 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@H](O)c1ccoc1 75171852 LYLWCNKCYPCZJM-LBPRGKRZSA-N 315.778 2.253 0 40 DEAB O=C(CN1C(=O)CCSc2ccccc21)NCc1ccco1 6805624 FGBMWENPDYZEQS-UHFFFAOYSA-N 316.382 2.425 0 40 DEAB O=S(=O)(c1ccc2c(c1)CCN2)N1CCc2ccccc21 11755752 FQKTXTIRGDNJJQ-UHFFFAOYSA-N 300.383 2.406 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1 211281 SYFCSDFSGPBAGI-GHMZBOCLSA-N 321.446 2.294 0 40 DEAB CCOC(=O)Cc1nnc(NC(=O)CCc2ccccc2)s1 1260765 QRLDOTLNJOECIN-UHFFFAOYSA-N 319.386 2.215 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2ccccc2OC)c1 3619270 WTZVXBUBVQVYLP-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1ccc(CN(C)C(=O)NCc2nnc3ccccn23)s1 69630156 SVLQVYBAOIPQTK-UHFFFAOYSA-N 315.402 2.441 0 40 DEAB CCOc1cc(Cl)c(/C=C2/NC(=O)N(C)C2=O)cc1OC 6958445 MKCHTYDBGIMSSC-BJMVGYQFSA-N 310.737 2.270 0 40 DEAB CC(=O)N[C@@H](CC(=O)Nc1nncs1)c1ccc(Cl)cc1 32882364 HWARGOLSPOHTIN-NSHDSACASA-N 324.793 2.398 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)N1CCOCC1 46264631 IFCZSZHOQCPNSK-KGLIPLIRSA-N 323.462 2.315 0 40 DEAB NC(=O)C1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 7504639 VJLAILUVMBLFCQ-UHFFFAOYSA-N 315.417 2.014 0 40 DEAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCSCC1 57511400 NZZZBUIUGOTELG-UHFFFAOYSA-N 308.794 2.110 0 40 DEAB O=C1C[C@H](NCc2ccncc2)C(=O)N1c1cccc(Cl)c1 100552064 WAWAVPCAFJCZBT-AWEZNQCLSA-N 315.760 2.157 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)C1(Br)Br 100487903 VKJCPBAJQBFXQI-DBRKOABJSA-N 319.980 2.063 0 40 DEAB Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 103171903 FFCDJPNNTYBAHH-WRFANHODSA-N 324.380 2.131 0 40 DEAB O=C(NCC[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1 23189738 HUGUDRBDVRYVNK-HNNXBMFYSA-N 302.374 2.112 0 40 DEAB CN1CCN(CCCNC(=O)/C=C/c2ccccc2Cl)CC1 22829315 OKWDXIQYTHOVHG-BQYQJAHWSA-N 321.852 2.107 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)NCc2ccccc2)C[C@@H](C)O1 25124066 KMMZLIIJELPBBU-GASCZTMLSA-N 319.449 2.374 0 40 DEAB COC(=O)c1ccc(NC(=O)CCn2nc(C)cc2C)s1 25477542 QAKCFERTARHGNK-UHFFFAOYSA-N 307.375 2.377 0 40 DEAB C[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccs1 24831857 OFEXNOLIWQYVLT-LLVKDONJSA-N 313.382 2.335 0 40 DEAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cnc2ccccc2n1 24912487 VRMFVJCBVFNZRJ-UHFFFAOYSA-N 306.281 2.317 0 40 DEAB CCO[C@H]1CN(C(=O)c2ccc(OC)cc2)[C@@H]2CCCO[C@H]12 107207302 WDOXXBRYAWIGNS-PMPSAXMXSA-N 305.374 2.104 0 40 DEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCC[C@@H](C(=O)O)C1)CC2=O 100751629 YOFGYQIZDUGKMQ-NVGVWMPQSA-N 307.390 2.095 0 40 DEAB COc1ccc2c(c1)N(C)/C(=C1\C(=O)N(C)C(=S)N1C)S2 3154543 XGLMQBXKOHVLAX-QBFSEMIESA-N 321.427 2.095 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccc(C(N)=O)cc1 8191654 NDJDCKBKRTYCTR-LLVKDONJSA-N 313.357 2.233 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2ccsc2)c2[nH]ncc12 58263881 MFMDBDSUHYPHNM-UHFFFAOYSA-N 314.370 2.301 0 40 DEAB CC(C)CCOCCOC(=O)c1cccc(N2CCNC2=O)c1 58264825 DIYNKEQPGYLZTR-UHFFFAOYSA-N 320.389 2.436 0 40 DEAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)[C@@H]1CCCO1 27872569 NFFQKIHDHQMFOL-JQWIXIFHSA-N 321.402 2.414 0 40 DEAB COc1cc(F)c(S(=O)(=O)NC2CCCCC2)cc1OC 27932288 PRTYNSAUUWIFDH-UHFFFAOYSA-N 317.382 2.454 0 40 DEAB CC(=O)Nc1ccc(NCC(=O)NC2CC2)c(C(F)(F)F)c1 12540205 WPIWBAJBNIGHOQ-UHFFFAOYSA-N 315.295 2.354 0 40 DEAB CCc1nc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)sc1C 58406550 IXUOSWFZOOGDKS-UHFFFAOYSA-N 318.358 2.404 0 40 DEAB O=S(=O)(c1ccccc1)N1CC[C@]2(CCCc3c[nH]nc32)C1 306128566 HESDRNFIOJPPQH-MRXNPFEDSA-N 317.414 2.078 0 40 DEAB COc1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12768604 MSEBQPCGZANLJB-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB COc1cc(CCN2CCN(C(C)C)CC2)cc(OC)c1OC 22594714 NOLUPKVJWDSOJS-UHFFFAOYSA-N 322.449 2.281 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)c1cccs1 12775961 MABBADBDTIDDCD-UHFFFAOYSA-N 311.384 2.298 0 40 DEAB CCOC(=O)Cc1nc(CCNc2ccc(CC)cc2)n[nH]1 62719421 OJFMZIPUQIGFKA-UHFFFAOYSA-N 302.378 2.127 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1cc(Cl)ccc1Cl 13001551 LSBPQDBPCMDEMY-UHFFFAOYSA-N 311.172 2.461 0 40 DEAB COc1ccc(-c2noc(COC(=O)c3ccncc3)n2)cc1 8447432 MKECFJJTLLPZOY-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCn2c(nc(C)c2C)C1 65474460 GGWVSAUWGFUWJV-CYBMUJFWSA-N 317.393 2.029 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)[C@H](C)OC[C@H]1CCCO1 65564594 ZBXZNXLDVUDSLM-DZGCQCFKSA-N 322.405 2.069 0 40 DEAB CC(=O)NCCCNC(=O)Nc1cc(C)cc2cccnc12 92147459 QWQMXUNWEQEXSO-UHFFFAOYSA-N 300.362 2.191 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2OC)C1 5592356 PDQVLGHFLZFVNS-CQSZACIVSA-N 305.374 2.039 0 40 DEAB C[C@]12N=NC[C@@H]1C(=O)N(c1cccc(Br)c1)C2=O 4783795 HMDJQUYFABGKBN-SKDRFNHKSA-N 308.135 2.163 0 40 DEAB c1ccc([C@H](Cn2ccnc2)Nc2ncnc3c2CCNC3)cc1 67872865 YBQQXOARRUKMDC-KRWDZBQOSA-N 320.400 2.172 0 40 DEAB COCCN1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1 96001822 RCLNKWBFJNUQOP-CYBMUJFWSA-N 305.382 2.034 0 40 DEAB C[C@@H](NS(=O)(=O)CCn1cnc2ccccc21)c1ccco1 9470677 AWPRPQIWSAKXAA-GFCCVEGCSA-N 319.386 2.310 0 40 DEAB CSc1ccc(O[C@H](C)C(=O)N2CCc3[nH]ncc3C2)cc1 96419240 VQKZXCHBJFVFHF-LLVKDONJSA-N 317.414 2.484 0 40 DEAB O=C(CSCC(=O)c1ccccc1)NC[C@H]1CCCCO1 71849922 HMPGWHXGMMXTPV-CQSZACIVSA-N 307.415 2.288 0 40 DEAB Cn1nc(C(=O)N2CCC[C@H]2CC2CCCCC2)ccc1=O 71846688 SBFJQNRNTMLYBO-AWEZNQCLSA-N 303.406 2.355 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(F)cc1 71886225 ZQDRXMAIJYCYGM-UHOFOFEASA-N 318.392 2.479 0 40 DEAB CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)CCC1=O 71861543 HXBDWWHHDUWLIJ-STQMWFEESA-N 308.422 2.247 0 40 DEAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCc3nnc(N)cc3C2)C1(C)C 71860021 QIUDEVXRGGKIEA-WFASDCNBSA-N 300.406 2.182 0 40 DEAB CSc1cc2c(cc1NC(=O)NC[C@H]1CCCO1)OCCO2 71853996 NHXFVNWESVDCOM-SNVBAGLBSA-N 324.402 2.480 0 40 DEAB CC(C)=CCN1CCC(NC(=O)N2CCC[C@@H](N(C)C)C2)CC1 72271382 HTZQYIWDQXXHAA-QGZVFWFLSA-N 322.497 2.153 0 40 DEAB Cc1cnn(CCNCC(=O)N2CCC[C@@H]2c2cccs2)c1 72253074 YQJBHKHVMXRJDY-CQSZACIVSA-N 318.446 2.206 0 40 DEAB Cc1ccc(C[C@H](CNC(=O)c2scnc2C)C(=O)O)cc1 97018856 DKGBKTXBGPDGSC-CYBMUJFWSA-N 318.398 2.433 0 40 DEAB CSC[C@@](C)(O)CN[C@@H](C)CC(=O)Nc1ccc(F)cc1 97017021 OIDKATXVOUGXFU-NHYWBVRUSA-N 314.426 2.246 0 40 DEAB CCc1cc(=O)[nH]c(-c2ccc(NCC[C@@H]3CCCO3)nc2)n1 97212357 GSWMXXXVHFKVMX-AWEZNQCLSA-N 314.389 2.375 0 40 DEAB COC(=O)[C@@H](C)CNC(=O)Nc1cccc(Br)c1 84638426 NOGUWUXYATWHFW-QMMMGPOBSA-N 315.167 2.380 0 40 DEAB C[C@H](NC(=O)NCCCc1ccccc1Cl)c1nncn1C 95393135 TUEZGIGRGQNACU-NSHDSACASA-N 321.812 2.462 0 40 DEAB COC(=O)[C@@](NC(C)=O)(c1c[nH]c2ccccc12)C(F)(F)F 78397078 BVGNPTUNGRTART-ZDUSSCGKSA-N 314.263 2.235 0 40 DEAB Cc1cc(C(=O)NCCC(C)C)ccc1N(C)S(C)(=O)=O 78582440 UBAWEWSOSJTRBB-UHFFFAOYSA-N 312.435 2.167 0 40 DEAB CN(CC(=O)Nc1ccccc1)c1ncc(Br)cn1 95972072 PXWCKPSSORIRED-UHFFFAOYSA-N 321.178 2.314 0 40 DEAB CC(C)(C)c1noc(CCCC(=O)N2CCCC[C@@H]2C(=O)O)n1 95969630 BSJYEPCSVKHRAP-LLVKDONJSA-N 323.393 2.156 0 40 DEAB Cc1cc(CC(=O)N(Cc2ccco2)C2CCN(C)CC2)no1 74429057 YSUHBTMRDCQNPK-UHFFFAOYSA-N 317.389 2.242 0 40 DEAB COc1cccc(C[C@@H](C)NC(=O)N2CCOC(C)(C)C2)c1 79036592 ZRXJIONOBLGUAO-CYBMUJFWSA-N 306.406 2.447 0 40 DEAB CC(C)[C@@H](O)C(C)(C)CNC(=O)CSCc1ccccn1 89791150 HPXDTEHNACTGNF-OAHLLOKOSA-N 310.463 2.474 0 40 DEAB Cc1cc(C)n(CCNC(=O)C2(c3ccc(F)cc3)CC2)n1 38716737 VDBYXUBVCCKTBE-UHFFFAOYSA-N 301.365 2.487 0 40 DEAB CCN([C@H](C)CC(=O)O)S(=O)(=O)c1ccc(C(F)F)cc1 548768447 BBYBYQYTWVDLRW-SECBINFHSA-N 321.345 2.498 0 40 DEAB Cc1cc(-c2noc([C@H]3CN(C)C[C@@H](C)O3)n2)cc2nc[nH]c12 527545029 ODMXXFUWIFVHHQ-ZWNOBZJWSA-N 313.361 2.313 0 40 DEAB CC(C)(C)OC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 121794216 RZVDISGOTPUWSQ-UHFFFAOYSA-N 316.405 2.387 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@](C)(O)[C@H](C)CC)cc1 77844505 XQKZMIOHQDBTSP-PXAZEXFGSA-N 306.406 2.101 0 40 DEAB O=C(NCCC1=CCCCC1)[C@@H](c1ccccc1)n1cnnn1 32074153 MBQIWRHHUYXFAV-MRXNPFEDSA-N 311.389 2.269 0 40 DEAB Cc1ncc(COc2ccc(N(C)S(C)(=O)=O)cc2)s1 79290032 ANHATQIRICYHLU-UHFFFAOYSA-N 312.416 2.426 0 40 DEAB CCS(=O)(=O)CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 46138076 JFYSNBNKMXNBPM-IKMFHRHGSA-N 313.463 2.142 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)NCc2cccc(C)c2)c1 44388487 LJAQQQQGLJKNAC-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB COC(=O)c1ccc(Cn2ccc(=O)c3cccc(OC)c32)o1 40175714 KCBYUOXNXBEUJP-UHFFFAOYSA-N 313.309 2.438 0 40 DEAB COc1ccc(CCCN[C@@H]2CCc3nc(C)nn3C2)cc1F 195573285 PJGJHRPPXXHREX-CQSZACIVSA-N 318.396 2.271 0 40 DEAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCC[C@@H](C2CC2)C1 195540132 WWTQSGYOEBDFAQ-BNOWGMLFSA-N 316.467 2.078 0 40 DEAB COC[C@@H]1COCCC12CCN(C(=O)c1cncc(C)c1)CC2 96106279 SQLAFHZQIWYSJQ-MRXNPFEDSA-N 318.417 2.295 0 40 DEAB Fc1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 96219590 YAIUFCVOWDLUER-BBRMVZONSA-N 318.352 2.054 0 40 DEAB Cc1cc(C)nc(NS(=O)(=O)c2cccc3ncccc23)n1 97375675 WIDOGQMMIBBKHD-UHFFFAOYSA-N 314.370 2.442 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCC(F)(F)F)C1 96436008 JWKVBQMMNWFJHK-IUCAKERBSA-N 310.316 2.358 0 40 DEAB Cc1cccc(C(=O)N2CCN(C[C@H]3CCOC3)CC2)c1C 96454794 SSBGJEVYOWUUFZ-MRXNPFEDSA-N 302.418 2.098 0 40 DEAB CC[C@](C)(NC(=O)c1cnn(C2CCCC2)c1C)C(=O)OC 95450326 CJKKIDTUCPRCPO-INIZCTEOSA-N 307.394 2.378 0 40 DEAB CCO[C@H](C)c1noc(CN2CCN([C@H]3C=CCCC3)CC2)n1 96441591 WJTFIXRNCGLGNX-CABCVRRESA-N 320.437 2.393 0 40 DEAB CCCN(C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2OC)C1 245344135 XTBIUSYQFNWMRQ-HRCADAONSA-N 311.470 2.317 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CC[C@@H](n2nccn2)C1 245171766 XUEKRICFNFNXLO-SNVBAGLBSA-N 308.744 2.087 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 257298382 RLKMFOQRTMTMKO-OAHLLOKOSA-N 319.430 2.428 0 40 DEAB CC(C)(C)OC(=O)[C@@]1(C(=O)O)CCCN1Cc1ccccc1 95496387 FKNAEHXGRJNGEV-KRWDZBQOSA-N 305.374 2.448 0 40 DEAB CCn1nc(C)c2nc(S)n(Cc3ccc(F)cc3)c(=O)c21 575616720 YLSKZUTYVPFZJO-UHFFFAOYSA-N 318.377 2.397 0 40 DEAB Cc1cc(C)nc(N2CC[C@](O)(COc3cccc(F)c3)C2)n1 585278539 TZZCMYWHADPJDS-QGZVFWFLSA-N 317.364 2.253 0 40 DEAB Cc1nc(C)c(C(=O)N2CCn3c(nnc3C(C)C)C2)s1 69841000 VNYNSGHNRJMDCH-UHFFFAOYSA-N 305.407 2.131 0 40 DEAB CCOC(=O)[C@H](CC)Sc1nc2[nH]c(=O)cc(O)c2s1 12418523 ORHGMZUDCWZKTM-ZETCQYMHSA-N 314.388 2.124 0 40 DEAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccccc1Cl 14000510 FOOHABSZVAISCF-RISCZKNCSA-N 311.765 2.351 0 40 DEAB C[C@H]1C[C@H]1C(=O)NC[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 17031406 UTWQKXGNLFEXNL-KPRKPIBOSA-N 306.450 2.337 0 40 DEAB Cc1cc(NCc2ccncc2)n2nc(-c3nccn3C)cc2n1 19117276 YRKBIWYQZILLBP-UHFFFAOYSA-N 319.372 2.445 0 40 DEAB COCCn1nnnc1[C@H](c1cccs1)N1CCC[C@@H](C)C1 19496478 OATLDGDCDDIIFS-OCCSQVGLSA-N 321.450 2.202 0 40 DEAB COc1ccc([C@@H](NC(=O)N(C)[C@H](C)CO)C(F)(F)F)cc1 155142474 KVMDWIVJCPDGGE-BXKDBHETSA-N 320.311 2.321 0 40 DEAB Cc1ccc(C(N)=O)cc1NC(=O)c1cnn2c1C[C@@H](C)CC2 567924086 QQQHPSGCJZSXJR-JTQLQIEISA-N 312.373 2.125 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(Br)s2)C1 13170782 LHVUEGJJBOICSX-SSDOTTSWSA-N 318.192 2.447 0 40 DEAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccc(Cl)s1 26904976 PNQACOQVTQUOMT-UHFFFAOYSA-N 315.826 2.164 0 40 DEAB COc1ccc(NC(=O)Cn2nc3n(c2=S)CCC3)cc1 1075668 WDEOAAGPJAFWDW-UHFFFAOYSA-N 304.375 2.008 0 40 DEAB O=C(/C=C/c1cccs1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772654 JYLWOQTXKRIVEZ-RFMXEPQUSA-N 316.426 2.088 0 40 DEAB O=C(Nc1nccs1)C1CCN(C(=O)c2ccccn2)CC1 42383233 XLELYLCUEABHMU-UHFFFAOYSA-N 316.386 2.029 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCn2c1nc1ccccc12 49026440 WUKVETANMHYWIT-UHFFFAOYSA-N 309.373 2.356 0 40 DEAB Cc1ccc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)cc1 40498825 VDTWEIPHNDDXLI-LBPRGKRZSA-N 322.386 2.233 0 40 DEAB COc1ccc(CNC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 31662118 YXWZYCBDWIAUSO-OAHLLOKOSA-N 314.389 2.306 0 40 DEAB COc1cccc(-c2noc(CN3C[C@@H](C)OC[C@@H]3C)n2)c1 28984363 BOWBILLFMAUVDB-NWDGAFQWSA-N 303.362 2.354 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 153820 UUIWMCVZJJZGEW-CYBMUJFWSA-N 321.373 2.119 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1ccc(O)nn1)c1ccsc1 31988999 HDQXMIJJEFOJOT-CYBMUJFWSA-N 320.418 2.057 0 40 DEAB O=c1oc(-c2ccccc2I)ns1 1849965 VXGQNLAAEVUQTK-UHFFFAOYSA-N 305.096 2.368 0 40 DEAB COc1cc(S(=O)(=O)n2ccc(C)n2)c(OC)cc1Cl 384578 IKRJGCHSUCKWPB-UHFFFAOYSA-N 316.766 2.099 0 40 DEAB COC(=O)c1ccc(C)c(NS(=O)(=O)c2c(C)noc2C)c1 7050590 DHWWWVRUXZIXIN-UHFFFAOYSA-N 324.358 2.187 0 40 DEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 7769102 ULKUVGPYEHNHHI-FZMZJTMJSA-N 310.419 2.312 0 40 DEAB Cc1cccc([C@@H](CC(=O)Nc2nccs2)NC(N)=O)c1 32796377 JJXYTTRYJPDKSK-LLVKDONJSA-N 304.375 2.190 0 40 DEAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCO2 10890224 ZLGNFCUUDFQSMX-YUMQZZPRSA-N 311.721 2.206 0 40 DEAB O=C1COc2cc(C(=O)N3CCC[C@H]3c3ccncc3)ccc2N1 32907493 XHESRAMYUAXZLP-HNNXBMFYSA-N 323.352 2.390 0 40 DEAB CCOC(=O)N1CCN(Cc2cc(-c3ccco3)on2)CC1 52872609 JIIXKMSKMBWZJC-UHFFFAOYSA-N 305.334 2.209 0 40 DEAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)c1cc[nH]n1 61313897 KBBNAOROCMEYDM-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1sc(-n2cccc2)nc1C 20865644 DRMRXPIJUVJNBM-CYBMUJFWSA-N 318.446 2.456 0 40 DEAB CCn1cc(Cl)c(C(=O)NCCCn2nc(C)cc2C)n1 28235564 DQEPZZZLMVCZPV-UHFFFAOYSA-N 309.801 2.190 0 40 DEAB NC(=O)c1cccnc1NC1CCN(Cc2ccccc2)CC1 24052692 ZFQURTRTURRDMB-UHFFFAOYSA-N 310.401 2.257 0 40 DEAB in-vitro CCOC(=O)N1CCC(NC(=O)c2ccc(COC)cc2)CC1 24471629 IKYMSGAASXZPBQ-UHFFFAOYSA-N 320.389 2.184 0 40 DEAB COc1ccc(OCC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 24996803 PYRUQGIXEMNWIZ-OAHLLOKOSA-N 315.373 2.001 0 40 DEAB Cc1cc(C)c(CNC(=O)CCc2nc3ccccc3[nH]2)c(=O)[nH]1 12550150 YITRGITZIVWIRQ-UHFFFAOYSA-N 324.384 2.117 0 40 DEAB CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)Nc2cccnn2)C1 119771908 CPNKGMAHHIDWBU-NSHDSACASA-N 306.366 2.062 0 40 DEAB CCN1C[C@@H](C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)CC1=O 55999905 OOASPGBOJHVFOJ-HOCLYGCPSA-N 318.392 2.228 0 40 DEAB CC(C)Cc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1 57122795 OTUKWVLRSNMXCY-UHFFFAOYSA-N 320.414 2.385 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100179719 HONQEFYUORJRCP-IZKTWJBDSA-N 307.349 2.447 0 40 DEAB CC1CCN(S(=O)(=O)NCCCOc2ccccc2)CC1 44323615 CSCWUQBSCADDNC-UHFFFAOYSA-N 312.435 2.022 0 40 DEAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)C)on2)C1(C)C 67889788 BAOJIEHLPSKFHF-RISCZKNCSA-N 308.426 2.013 0 40 DEAB biogenic,in-vitro Cn1c(S)nnc1CNC(=O)/C=C/c1cc2ccccc2o1 109054671 CTCCRXJQHOOHAG-VOTSOKGWSA-N 314.370 2.180 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1cccnc1 44868817 SECCUZYEPNVJQX-LLVKDONJSA-N 304.371 2.056 0 40 DEAB CCc1nc2c(c(OCC3CC3)n1)CCN(C(=O)C(C)C)CC2 306136123 PJYKAGOAOKEFNG-UHFFFAOYSA-N 317.433 2.411 0 40 DEAB CCOc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@H]3C[C@H]1C[C@@H]32 408667043 PYGRBVUEZHRERP-BMKCNNPASA-N 301.342 2.221 0 40 DEAB Cn1nnnc1SCc1ccc(OCc2ccncc2)cc1 48263262 JSWHAXGBGDZAMV-UHFFFAOYSA-N 313.386 2.476 0 40 DEAB Cc1ccccc1C(=O)CN1C(=O)c2ccccc2S1(=O)=O 48340114 BCODZOCVPNAFNX-UHFFFAOYSA-N 315.350 2.022 0 40 DEAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc2[nH]c(=O)[nH]c2c1 12999169 OLNVVGVWUIAMSM-UHFFFAOYSA-N 323.352 2.362 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1cc(Br)ccc1F 13010136 GQQHBAQZBXZBBD-VIFPVBQESA-N 302.143 2.497 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1 24256420 FPZQZTOWZQJVGU-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccn1)C(=O)C2 3841549 NZJRKZFTKAPINZ-IAQYHMDHSA-N 308.403 2.219 0 40 DEAB COc1ccccc1N1CCN(C(=O)NC2CCCC2)CC1 17116705 UEDITPXODUXTST-UHFFFAOYSA-N 303.406 2.469 0 40 DEAB C[C@H](NC(=O)c1cncc(C(=O)N[C@H](C)C2CC2)c1)C1CC1 49601750 ROENJOLULOWGNY-PHIMTYICSA-N 301.390 2.138 0 40 DEAB Cc1ccc(N(C)C2CCN(C(=O)c3ccco3)CC2)nn1 69769885 MZUHRFFZAFGDIJ-UHFFFAOYSA-N 300.362 2.119 0 40 DEAB C[C@H](CN1CCCC1=O)NC(=O)Nc1cccc2cnccc12 65474299 OUPHPBMTRDENSQ-GFCCVEGCSA-N 312.373 2.367 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(-n2cccc2)cc1C 65594441 NWTBFAYWXHEQNY-CQSZACIVSA-N 313.401 2.430 0 40 DEAB CCOc1ncnc2c1CN(C[C@@H](O)c1cccc(F)c1)CC2 65521878 QFNIKDVCNJYGIE-MRXNPFEDSA-N 317.364 2.106 0 40 DEAB Cc1nc(C2(NC(=O)c3cc4ccccc4c(=O)[nH]3)CCC2)no1 65553511 PEJVIVMVNSJYLW-UHFFFAOYSA-N 324.340 2.029 0 40 DEAB Cc1sc2nc(SCCn3cncn3)nc(N)c2c1C 69740571 BLNOXGFJJXEYRP-UHFFFAOYSA-N 306.420 2.274 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)N(C)Cc2ccccc2)n1 5326887 GUGNFIHLCCJIFX-UHFFFAOYSA-N 321.384 2.307 0 40 DEAB CCS(=O)(=O)c1ccc2oc(NC(=O)C3CCC3)nc2c1 14116508 XFXDWKJTSOISSN-UHFFFAOYSA-N 308.359 2.360 0 40 DEAB O=C(CCC(=O)N1CCCC1)NC12CC3CC(CC(C3)C1)C2 4547825 VSKFAIFNILYACM-UHFFFAOYSA-N 304.434 2.474 0 40 DEAB Cc1csc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1 65613338 AZIRYOYHNQWARF-UHFFFAOYSA-N 322.478 2.022 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 6540492 RPFMNYMWMJJBJN-VIFPVBQESA-N 302.296 2.350 0 40 DEAB C[C@@H](OC(=O)C1CCCC1)C(=O)NCc1ccc2c(c1)OCO2 6640533 HVDPEKRWIFQOEH-LLVKDONJSA-N 319.357 2.153 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1nnc(-c2ccccc2)o1 5702853 TWFUBESDNOKULT-XPQLPGEHSA-N 313.313 2.351 0 40 DEAB C[C@H](N[C@@H](C)[C@@H](C)n1cccn1)C(=O)Nc1ccc(Cl)cn1 69870252 AAXZGTQOXUBXAH-SDDRHHMPSA-N 321.812 2.498 0 40 DEAB CCN(CC)S(=O)(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 66608219 MUSQZSMIKKDTPG-ZJUUUORDSA-N 302.362 2.284 0 40 DEAB O=C(Nc1cccc2c1OCCO2)c1cccc2c1OCCO2 67056953 LYVFUCBGLLQRPX-UHFFFAOYSA-N 313.309 2.481 0 40 DEAB CN(C)S(=O)(=O)N(Cc1ccccc1C(F)(F)F)C1CC1 75793159 QRAKVUCGCQQSKJ-UHFFFAOYSA-N 322.352 2.476 0 40 DEAB Cc1cc([C@](C)(O)CNC(=O)/C=C/c2cccnc2)c(C)o1 84081562 NHYWRFDTUGQTJB-DKRLNXSXSA-N 300.358 2.329 0 40 DEAB O=C(Nc1nnn[nH]1)c1ccc(OCC2CCCCC2)cc1 76963967 ABNDKELVESSAJH-UHFFFAOYSA-N 301.350 2.411 0 40 DEAB CC(C)C[C@@H](NC(=O)CSCC(N)=O)c1cccs1 71851746 LUZCZGZGOAUANI-SNVBAGLBSA-N 300.449 2.170 0 40 DEAB Cc1noc([C@@H](C)N2CCN(c3ccc(Cl)cn3)CC2)n1 71833227 BYZIQLSXRPVMDV-SNVBAGLBSA-N 307.785 2.310 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)c1 71866036 FWUFZCNMJMEJCJ-HOCLYGCPSA-N 305.422 2.388 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cccnc2)C1 71909536 KANZSGIIVIKJLR-CHWSQXEVSA-N 304.394 2.287 0 40 DEAB CC(C)c1nc([C@H]2CCCN2C(=O)CCn2ccnc2)no1 72299440 CUMDXKXDVJSZPK-GFCCVEGCSA-N 303.366 2.143 0 40 DEAB CC(C)COc1ncccc1C(=O)N[C@@H]1CCc2nccn2C1 72254861 KHEDDQZWWXIQEQ-CYBMUJFWSA-N 314.389 2.058 0 40 DEAB Cc1ccc(NC(=O)CN(C)Cc2nnc(C)n2C)cc1Cl 72277238 MYZQAWWTHBVBEA-UHFFFAOYSA-N 321.812 2.156 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)nn1 72291656 JDLAVOKRYQSPCB-LLVKDONJSA-N 304.375 2.309 0 40 DEAB CC(=O)N1CSC[C@@H]1C(=O)Nc1nc2c(C)cccc2s1 72277260 IRDOGCJRGQOCJD-SNVBAGLBSA-N 321.427 2.465 0 40 DEAB CC(C)(C)[C@H](NCCc1cccc(Br)c1)C(N)=O 97162403 BEPJNRZAAOGTDL-GFCCVEGCSA-N 313.239 2.481 0 40 DEAB Cc1noc([C@H](C)OC(=O)CNC(=O)CCC2CCCC2)n1 72313350 OKJFTXOKQSEWKG-JTQLQIEISA-N 309.366 2.069 0 40 DEAB Cn1cccc1[C@H]1COCCN1C(=O)Cc1c[nH]c2ncccc12 97379417 GZJDXGKYZLEORV-MRXNPFEDSA-N 324.384 2.044 0 40 DEAB NC(=O)[C@H]1CCC[C@H]1NC(=O)CSCCCc1ccccc1 78947131 HMNHVAUGUILJAC-LSDHHAIUSA-N 320.458 2.123 0 40 DEAB NC(=O)c1ccc(C(=O)NC2(Cc3ccccc3)CCCC2)cn1 95939119 PDAFNCSYYQQFJM-UHFFFAOYSA-N 323.396 2.466 0 40 DEAB COC[C@@H](O)CCNC(=O)N[C@H]1c2ccccc2CCC1(C)C 95980445 IRHRDMMZFBOKIB-HOCLYGCPSA-N 320.433 2.397 0 40 DEAB C[C@](O)(CNC(=O)N[C@@H](c1nccs1)C1CC1)c1ccco1 74709168 YNEAALJNBSDMLS-DOMZBBRYSA-N 321.402 2.394 0 40 DEAB Cc1ccc(CSCC(=O)NCC(=O)NC(C)(C)C)cc1 9917827 AAZUPUMSOJYUAV-UHFFFAOYSA-N 308.447 2.259 0 40 DEAB CC(=O)NCc1ccc(-c2csc(N3CCOCC3)n2)cc1 9908711 WVNZYJLWEUOFEJ-UHFFFAOYSA-N 317.414 2.283 0 40 DEAB CC(C)(C)CC(C)(C)NC(=O)NCC1(CS(C)(=O)=O)CC1 89642994 NJGDHGYRQPRUIO-UHFFFAOYSA-N 318.483 2.325 0 40 DEAB CC(=O)N1CC[C@H](CN(C)C(=O)[C@H](C)Oc2cccc(C)c2)C1 89672899 UNXAGJJZMSFRIC-GOEBONIOSA-N 318.417 2.089 0 40 DEAB CNS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2C)c1 32832388 YOVKTRCAQGTPIH-UHFFFAOYSA-N 318.398 2.084 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)NCC2CCCCC2)C1 524925900 XQTWYQUWZNEDDR-KBPBESRZSA-N 316.467 2.222 0 40 DEAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2)N1 34792234 VOMJKYKNVFYOMS-HZPDHXFCSA-N 307.353 2.340 0 40 DEAB biogenic CC(=O)N1CCN(c2cc(C)c(C(=O)c3ccccc3)cn2)CC1 72223730 GBRXATLELYMLEU-UHFFFAOYSA-N 323.396 2.290 0 40 DEAB CCn1c(Nc2cccc(OC)c2)nc2c(C)nn(C)c2c1=O 32651705 BPQMIRXCLQBFAP-UHFFFAOYSA-N 313.361 2.211 0 40 DEAB O=C1NC[C@]2(CCCN(Cc3ccncc3)C2)Oc2ccccc21 72328091 XYJKTJYBTZXRLG-IBGZPJMESA-N 323.396 2.239 0 40 DEAB C[C@@H](CNC(=O)C(=O)NCc1ccc(F)cc1)c1ccccc1 73742892 PRMIPUJUFPKCGW-ZDUSSCGKSA-N 314.360 2.362 0 40 DEAB Cn1c(=O)n(C)c2cc(CNc3ccc4c(c3)OCO4)ccc21 32616934 WRHMYYJENDATMR-UHFFFAOYSA-N 311.341 2.218 0 40 DEAB COc1ccc(-c2ccc(N3CCC[C@H](C(=O)O)C3)nn2)cc1 49455627 PJIXQZBMBJQRHW-ZDUSSCGKSA-N 313.357 2.453 0 40 DEAB CCCCOc1cc(S(=O)(=O)NC[C@@H](C)O)ccc1Cl 41105604 DCMHQJSWFNHIKV-SNVBAGLBSA-N 321.826 2.178 0 40 DEAB COc1cccc(C(=O)NCCCN2CCCCC2)c1OC 225047262 IWJKRIBOPKUEOK-UHFFFAOYSA-N 306.406 2.310 0 40 DEAB Cn1cc(NC(=O)N2CCC[C@@](C)(O)CC2)c(-c2ccco2)n1 529234584 XJCFOIHXMYYVRD-MRXNPFEDSA-N 318.377 2.449 0 40 DEAB CC(C)Oc1ccc(C(=O)O)cc1NC(=O)Cc1ccon1 236626670 QTNOXOKWFMYDEN-UHFFFAOYSA-N 304.302 2.341 0 40 DEAB CN(C)c1cc(C(=O)OCCc2cnccn2)c2ccccc2n1 97097850 LPXSZOHSQGDQLG-UHFFFAOYSA-N 322.368 2.490 0 40 DEAB COc1cccc(CCCN2CCC[C@H](C(=O)N(C)C)C2)c1 96424170 BIGNDJFYKAPRDH-INIZCTEOSA-N 304.434 2.428 0 40 DEAB Cc1ccc(C(=O)N2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)cn1 96089678 UUABAARCSKRMMN-WMZOPIPTSA-N 316.401 2.190 0 40 DEAB CCOC(=O)c1c(Br)cnc(Br)c1N 95836295 ADKXUISRKQPPDK-UHFFFAOYSA-N 323.972 2.366 0 40 DEAB CN(C)c1nccc(C2CCN([C@H]3CCCC[C@H]3O)CC2)n1 257297295 RGRGIZSWCXRVAB-JKSUJKDBSA-N 304.438 2.026 0 40 DEAB COCCC(=O)N1CCN(C)[C@H](c2ccc(OC(C)C)cc2)C1 257314373 UWQYTBYLQHZAGB-KRWDZBQOSA-N 320.433 2.325 0 40 DEAB CC(C)C[C@H]1COCCN1C(=O)N[C@@H](C)c1ccnc(O)c1 458862634 TWJIYWRGWJLPIK-JSGCOSHPSA-N 307.394 2.305 0 40 DEAB CC(=O)OCC(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 585148132 MVLCAHCSOXQNTO-HNNXBMFYSA-N 319.382 2.128 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2nc(C3CC3)no2)n1 70010590 BVTCLAWLSCAMQL-AWEZNQCLSA-N 301.394 2.425 0 40 DEAB CC(C)(C)NC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 95427267 NIMHGHGHVLFEEU-LSDHHAIUSA-N 306.406 2.319 0 40 DEAB O=C(COc1cc(Cl)ccc1Cl)NCC1(CO)CC1 84343838 FMXIPHGORXKBTP-UHFFFAOYSA-N 304.173 2.261 0 40 DEAB C[C@H]1CN(C(=O)COC(=O)/C=C/c2cccc(F)c2)C[C@@H](C)O1 12622896 JOPAEXKZEJAPTG-VNTREEHLSA-N 321.348 2.018 0 40 DEAB Cc1nc2ccccc2nc1CSc1n[nH]c(=O)n1C1CC1 12983790 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CC(=O)N1CCC[C@H](C(=O)N(C)CCc2ccc(F)cc2)C1 55370303 PLROADMNAWOYCC-HNNXBMFYSA-N 306.381 2.085 0 40 DEAB NC(=O)CCNC(=O)NCc1ccc(Oc2ccccc2)cc1 69515550 LCQKUAJDBMYRAS-UHFFFAOYSA-N 313.357 2.154 0 40 DEAB O=C(NCc1cn2ccsc2n1)c1c(O)cc(F)cc1F 66044057 RWKMVXLRSRHSGT-UHFFFAOYSA-N 309.297 2.310 0 40 DEAB CCOC1CCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1 71820661 WASJIQMWOHRNDM-UHFFFAOYSA-N 314.389 2.217 0 40 DEAB COCCOCC(=O)Nc1ccc(F)cc1Br 71930463 VGFRKRWZGNHDCY-UHFFFAOYSA-N 306.131 2.190 0 40 DEAB CC(C)CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C2CC2)C1 81606775 KUIORJHRSISSMZ-HZPDHXFCSA-N 322.449 2.051 0 40 DEAB Cc1ncc(CN(C)C[C@@H](O)COCc2ccccc2)s1 76514200 FJYXEYRSXCYHCD-OAHLLOKOSA-N 306.431 2.461 0 40 DEAB CCN(CC)C(=O)C1=C(C)NC(=S)N[C@H]1c1ccsc1 5786960 LYMQTHZTGPJBGK-LBPRGKRZSA-N 309.460 2.409 0 40 DEAB COc1ccc(NCN2C(=O)C(=O)c3ccccc32)c(OC)c1 5798379 JJBCLQQYDJTJRA-UHFFFAOYSA-N 312.325 2.303 0 40 DEAB CCN(CC)[P@@](C)(=O)c1nccn1-c1ccc(Cl)nn1 13282138 BMORQYIIPYWPBH-FQEVSTJZSA-N 313.729 2.191 0 40 DEAB COCc1nn2c3c(nnc2c1-c1ccccc1)C(=O)CCC3 13639347 JYLPRCHZCBBJSD-UHFFFAOYSA-N 308.341 2.457 0 40 DEAB CC(C)c1ncc(CN2CCC(N(C)CCN(C)C)CC2)cn1 19454008 SNLGQWCMIGESSL-UHFFFAOYSA-N 319.497 2.058 0 40 DEAB c1csc(OC2CCN(c3ccn4nccc4n3)CC2)n1 2086861369 IAKZILKIBZBVRR-UHFFFAOYSA-N 301.375 2.234 0 40 DEAB c1nc(N2C[C@@H]3CCC[C@H]3C2)c2ncn(C[C@H]3CCCO3)c2n1 2298048621 ANBPMHIJYDWPLT-MELADBBJSA-N 313.405 2.242 0 40 DEAB COc1ccc(CCC(=O)NC[C@](C)(O)CCSC)cc1 75157471 KSQZYHZFNYLGQV-MRXNPFEDSA-N 311.447 2.248 0 40 DEAB C[C@H]1c2ccsc2CCN1CCCN1C(=O)NC(C)(C)C1=O 40515875 BVHNPOKLMAYGQW-NSHDSACASA-N 321.446 2.388 0 40 DEAB COC(=O)C(C)(C)NC(=O)Cc1cccc(C(F)(F)F)c1 40504717 YHHDLTLIZRGLGK-UHFFFAOYSA-N 303.280 2.316 0 40 DEAB CS[C@H](C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 40553205 ROLNKXMZCDGSME-GRYCIOLGSA-N 309.435 2.385 0 40 DEAB C[C@H](NC(=O)N1CCN(Cc2ccsc2)CC1)[C@@H]1CCCO1 45683593 OWZPLHUPQIENDK-ZFWWWQNUSA-N 323.462 2.143 0 40 DEAB NC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2 103075 VZDOSYBTCDJVSH-UHFFFAOYSA-N 321.446 2.150 0 40 DEAB COc1ccc(-c2cc(C(=O)NCc3cccnc3)n(C)n2)cc1 324388 GVZHWCXTOMNGHA-UHFFFAOYSA-N 322.368 2.421 0 40 DEAB Cc1ccc(-c2nnc(N(C)C(=O)[C@H]3CCCO3)s2)cn1 1348896 RETYWYPQXGKQAX-LLVKDONJSA-N 304.375 2.050 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCN(c3cnccn3)C2)o1 29780360 BXFAWYBWRDFFOI-KGLIPLIRSA-N 314.389 2.472 0 40 DEAB O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1C1CCCCC1 101360938 IQFMCSUERRNACD-UKRRQHHQSA-N 316.332 2.246 0 40 DEAB O=C(N[C@@H]1CCSC1=O)c1cccc(Br)c1 304016 JKMJFNDJGJVFIY-SECBINFHSA-N 300.177 2.211 0 40 DEAB CSc1nnc(C)n1NC(=O)COc1cc(C)cc(C)c1 6202441 XHWKQERTPLIGQZ-UHFFFAOYSA-N 306.391 2.074 0 40 DEAB Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)NC(N)=O 6963637 POAGXBRXKWIMGR-UVTDQMKNSA-N 312.373 2.087 0 40 DEAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1n[nH]c(C(F)(F)F)n1)C2=O 100936521 KAAPBTDLKAJNJL-SREIQFSDSA-N 316.283 2.139 0 40 DEAB Cc1ccc(OCCC(=O)N2CCCC[C@H]2CC(N)=O)cc1C 60291865 HMKOOZBQLPDIQO-HNNXBMFYSA-N 318.417 2.329 0 40 DEAB COc1cc(C(=O)NC2CC2)cc(OC)c1Br 7952927 KUNKIXODVJHJLU-UHFFFAOYSA-N 300.152 2.359 0 40 DEAB CCCOc1ccccc1[C@H]1C=C(C(=O)O)Nc2ncnn21 101347892 IDDIOWKNJKGNAP-GFCCVEGCSA-N 300.318 2.050 0 40 DEAB O=C(CSc1nccc(=O)[nH]1)N[C@@H]1CCCc2ccccc21 12312058 GXRGWGIRZLLZPD-CYBMUJFWSA-N 315.398 2.056 0 40 DEAB O=C(/C=C/c1ccco1)OCCn1cnc2ccccc2c1=O 22468342 WWSAWGQJQXPBOW-BQYQJAHWSA-N 310.309 2.246 0 40 DEAB COc1ccc2c(c1)[C@](O)(CC(=O)c1ccc(F)cc1)C(=O)N2 1320664 MSURVXYJKXWBFB-QGZVFWFLSA-N 315.300 2.247 0 40 DEAB CN(Cc1cccs1)c1cc(N2CCC[C@H]2CO)ncn1 106905790 ONJPNWJIILURHA-LBPRGKRZSA-N 304.419 2.136 0 40 DEAB Cc1cc(CN(C)C(=O)[C@H]2CC(c3cccc(F)c3)=NO2)no1 56889512 JNIKLMGPHCEBEX-OAHLLOKOSA-N 317.320 2.274 0 40 DEAB O=C(c1ccccc1)[C@H](O)[C@@H](c1ccccc1)N1CCOCC1 20390242 NXSMGELJGPPCGV-IEBWSBKVSA-N 311.381 2.304 0 40 DEAB OC[C@@H]1CCCN(c2cc(NC[C@@H]3Cc4ccccc43)ncn2)C1 108373480 ZLKWBLRXOAULGD-ZBFHGGJFSA-N 324.428 2.437 0 40 DEAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)c1 10028844 YVFIKTDAYFOOOB-JTQLQIEISA-N 304.302 2.176 0 40 DEAB CC1CCN(C(=O)Cn2c(=S)[nH]c3ccccc3c2=O)CC1 12608539 GBTJSWMRDNGNSS-UHFFFAOYSA-N 317.414 2.318 0 40 DEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2C)C1=O 409011829 ISNQXPPLZHJPLQ-OHMLCJAVSA-N 308.359 2.013 0 40 DEAB FC(F)(F)c1ccnc(N[C@@H]2CCCN(c3ncccn3)C2)n1 44976693 YBOAOPQECRDWER-SNVBAGLBSA-N 324.310 2.366 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)Cc1nc(C(C)(C)C)no1 44938754 KUQOHURCNSWSDK-UHFFFAOYSA-N 313.379 2.087 0 40 DEAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)[C@H]1CCCO1 27866713 PNDLVOMADGJEKS-ZWNOBZJWSA-N 320.414 2.418 0 40 DEAB O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@H]1CCCC[C@H]1O 58330088 NLMXNSPWCUDGSX-LSDHHAIUSA-N 317.389 2.004 0 40 DEAB COc1cc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)ccn1 45521677 PEXPAAMEJGZDEP-ZDUSSCGKSA-N 316.361 2.433 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1cnc2ccccn2c1=O 48263174 SRJQEIDACGGJDW-LBPRGKRZSA-N 311.341 2.039 0 40 DEAB O=C(CN1C(=O)CN(c2ccccc2)C1=O)c1ccccc1F 48346144 WNHNMMPEPRQFMQ-UHFFFAOYSA-N 312.300 2.477 0 40 DEAB CCCn1c(C)cc(C(=O)COC(=O)c2ccc[nH]c2=O)c1C 8694102 PFOFUWYTBQFUGI-UHFFFAOYSA-N 316.357 2.243 0 40 DEAB CCOC(=O)c1cnc2n1CCN(C(=O)OC(C)(C)C)[C@H]2C 91303034 RGGKVOQZLJOEMW-JTQLQIEISA-N 309.366 2.372 0 40 DEAB in-vitro CC1CCC(NC(=O)Cn2cnc3sccc3c2=O)CC1 8314826 ALMATUADKTXGFQ-UHFFFAOYSA-N 305.403 2.153 0 40 DEAB C[C@H]1CN(c2cnc3ccccc3n2)CCN1Cc1nccn1C 69444559 RLEAUNHULQAQHF-AWEZNQCLSA-N 322.416 2.074 0 40 DEAB CNC(=O)NC(=O)[C@H](C)OC(=O)c1cc2c(s1)CCCCC2 13878679 PKVWMYUJDLQWTP-VIFPVBQESA-N 324.402 2.018 0 40 DEAB CC(C)Cc1cc(C(=O)NC[C@@H](C)Oc2cccnc2)n(C)n1 65387220 PFVYJRGKUGZALT-CYBMUJFWSA-N 316.405 2.211 0 40 DEAB C[C@@H]1CCC[C@@H]2CCCN(Cc3nc(O)c4cnn(C)c4n3)[C@H]12 65407743 FSAUKUHLAZXYKW-LALPHHSUSA-N 315.421 2.470 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)CN(CCO)Cc1ccsc1 69592104 HGOXSPZGZFBXHS-DZGCQCFKSA-N 310.463 2.237 0 40 DEAB C[C@@H]1CN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C[C@@H](C)O1 14139725 AKUHCPXOUMBXEF-GYSYKLTISA-N 320.414 2.125 0 40 DEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CN[C@H](C)C(C)C 14232343 GJTKHZOTWQPLHU-OAHLLOKOSA-N 319.449 2.334 0 40 DEAB COc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1 6533333 HYEXUOGCRYAKNE-MRVPVSSYSA-N 304.375 2.013 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 5794773 POOCXBWYXYPICM-UHFFFAOYSA-N 318.398 2.460 0 40 DEAB NC(=O)c1ccccc1Sc1nc2ccccn2c1[N+](=O)[O-] 66859702 BWOCNAFJPAMLKE-UHFFFAOYSA-N 314.326 2.493 0 40 DEAB CCc1ccc([C@@H](C)N[C@H]2CCN(c3cc(C)nn3C)C2=O)o1 90171439 YZGXKUGVPROBRL-OCCSQVGLSA-N 316.405 2.340 0 40 DEAB COC(=O)CCSc1nc2sc3c(c2c(=O)n1C)CCC3 7206453 BZIVSLXTOBEAOW-UHFFFAOYSA-N 324.427 2.139 0 40 DEAB COc1cc2c(=O)[nH]c(-c3ccon3)nc2cc1OC(F)F 80618774 JCQJRCUBUCWYPL-UHFFFAOYSA-N 309.228 2.188 0 40 DEAB Cc1noc(C)c1CN1C(=O)N[C@](C)(c2cccs2)C1=O 84023324 OHMQJJDQPVDZIQ-CQSZACIVSA-N 305.359 2.320 0 40 DEAB Cc1cccc2c1cnn2CCCNC(=O)CCCC(=O)O 71196053 GZPWHEUPAHFVOX-UHFFFAOYSA-N 303.362 2.106 0 40 DEAB COC(=O)c1cc(-c2ccco2)nc2nc(SC)[nH]c(=O)c12 9864605 JBRKUPNBTPCMKJ-UHFFFAOYSA-N 317.326 2.087 0 40 DEAB C[C@@H](Nc1cccc(OCC(N)=O)c1)c1nc(C(C)(C)C)no1 89913625 SGTXPNGKLSJADB-SNVBAGLBSA-N 318.377 2.404 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2c(C)nn(C)c2C)no1 71876640 KFGRVWCVPBDNLD-CYBMUJFWSA-N 317.393 2.109 0 40 DEAB O=C1C[C@@H](c2ccccc2)N(C(=O)COC2CCCC2)CCN1 71821287 LMAGPWMPTSLLNN-INIZCTEOSA-N 316.401 2.035 0 40 DEAB Cc1noc2ncc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)cc12 71820735 MVRFCKQHMDMAPY-KBPBESRZSA-N 301.346 2.315 0 40 DEAB CCO[C@H](C)c1noc(CN(CCOC)Cc2ccco2)n1 71914907 NGWDAYMDIQZWJE-GFCCVEGCSA-N 309.366 2.409 0 40 DEAB Cc1cc(S(=O)(=O)Nc2ccc3nncn3c2)sc1C 97048822 HRYKGBABJGKBSN-UHFFFAOYSA-N 308.388 2.208 0 40 DEAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1ccc(Cl)cn1 97049615 JCEBJOAJCRQIPL-RISCZKNCSA-N 311.813 2.428 0 40 DEAB O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1cccnc1 97018133 BNRJRSREWAPZBB-UHFFFAOYSA-N 320.295 2.477 0 40 DEAB COc1ncccc1CNCc1cn(C)nc1-c1ccncc1 97159813 FEOHDXGKAOKPQW-UHFFFAOYSA-N 309.373 2.176 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)NC[C@](C)(O)c2ccsc2)n1 72306598 GBCGLHFEWVAFSD-DOMZBBRYSA-N 307.419 2.146 0 40 DEAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H]1c1ccc(Cl)cc1 95401970 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300.274 2.197 0 40 DEAB CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(F)cc1 74915948 FFFVXOPLSPOUHL-UHFFFAOYSA-N 309.318 2.380 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@@H]1NCCO 79411001 SPNCDUKKHPBKJA-HOTGVXAUSA-N 306.406 2.148 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)c2scnc2C)n1 72385741 GPSFLZQJNYENRD-LLVKDONJSA-N 303.391 2.261 0 40 DEAB NCCN1CCC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79391021 MKRPTTPEWYFPNN-KRWDZBQOSA-N 317.433 2.211 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](N)C[C@@H]1C 521394647 SQCGNJBWTGJDHC-SWLSCSKDSA-N 306.454 2.037 0 40 DEAB CCc1c(C)sc2c1c(N)nc(=O)n2CCN1CCCCC1 40285294 UYWPJUBYMKAXOR-UHFFFAOYSA-N 320.462 2.397 0 40 DEAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 46633371 YUENZUWJYPYBBH-GFCCVEGCSA-N 304.390 2.353 0 40 DEAB O=C(CC(F)(F)F)N1CCC(N[C@@H]2CCCSC2)CC1 225573525 CGUAMRYBWBCLBA-LLVKDONJSA-N 310.385 2.415 0 40 DEAB Cc1ccccc1-c1noc(=O)n1CCO[C@H]1CCCCO1 225638974 VNSKEQDPSXXFFA-AWEZNQCLSA-N 304.346 2.355 0 40 DEAB Cc1cc(C(=O)N2C[C@H](OCC3CC3)[C@H]3OCCC[C@H]32)c(C)[nH]1 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QSJTWCPTSDCNSM-GHMZBOCLSA-N 302.827 2.088 0 40 DEAB Cc1nc(C(=O)N2CCN(Cc3ccsc3)CC2)cs1 49307692 UBRWOMHHDBESDJ-UHFFFAOYSA-N 307.444 2.471 0 40 DEAB O=C(NCCc1c[nH]cn1)c1ccc2nc(C(F)(F)F)[nH]c2c1 13689503 CXUORRWSABGKBD-UHFFFAOYSA-N 323.278 2.277 0 40 DEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1Cc1ccccc1 69538104 XZVZHFZPZDXMDN-HOTGVXAUSA-N 321.442 2.045 0 40 DEAB CCc1nnc2n1CCN(C(=O)CCn1ccc3ccccc31)C2 69598232 RUYHSNPLIRXLST-UHFFFAOYSA-N 323.400 2.228 0 40 DEAB C[C@@H]1CN(Cc2cc(-c3ccccc3)cs2)C[C@@H](C(N)=O)O1 92007951 ZAUKGXFZUSTQMW-WBMJQRKESA-N 316.426 2.490 0 40 DEAB CON(C)C(=O)[C@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 65622576 OEKGVYRPSMOAMA-AWEZNQCLSA-N 316.323 2.461 0 40 DEAB O=C(Oc1ccc2c(c1)OCO2)[C@@H]1COc2ccccc2O1 5577398 QIWVCHCRUSZDHW-HNNXBMFYSA-N 300.266 2.161 0 40 DEAB COCCCNc1nc2sc3c(c2c2ncnn12)CCC3 5557380 ZNXWLRGRHLKROJ-UHFFFAOYSA-N 303.391 2.276 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 71281252 RKNRVAYXBWCGRA-KBPBESRZSA-N 313.357 2.227 0 40 DEAB C[S@](=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1 80135438 FHPZLWBYXLVJPJ-HXUWFJFHSA-N 309.416 2.310 0 40 DEAB O=C(NCc1nnc2ccccn12)N[C@@H]1C[C@H]1c1ccccc1 67615608 UULYSSHTNYHYOF-UONOGXRCSA-N 307.357 2.085 0 40 DEAB COCCC1(CNC(=O)NCc2c(C)n[nH]c2C)CCCC1 96473504 XTCCOIJOSGNTBT-UHFFFAOYSA-N 308.426 2.423 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2c(C)noc2Cl)c1 71869981 LXBIIVOHNLGMRM-GFCCVEGCSA-N 322.796 2.375 0 40 DEAB O=S(=O)(Cc1nccn1Cc1ccccc1)C[C@@H]1CCCO1 71850392 QNXOAJWIEGJUNX-HNNXBMFYSA-N 320.414 2.025 0 40 DEAB CC(C)N1CCN(C(=O)Nc2ccccc2C[S@@](C)=O)CC1 97141005 COYPDSTVSXRLCA-QFIPXVFZSA-N 323.462 2.123 0 40 DEAB CN(CC1CCC1)C(=O)N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1 95397959 VRNCTQIVJHWDES-HIFRSBDPSA-N 307.438 2.265 0 40 DEAB O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 95365062 VENPEZHFOJBLMF-WCYDHSITSA-N 319.430 2.003 0 40 DEAB C[C@@H](CC(=O)Nc1cccc(CO)c1)NC(=O)C1CCCC1 95977688 JBLDMQRXILUTBY-LBPRGKRZSA-N 304.390 2.202 0 40 DEAB CCc1noc(CC)c1CNC(=O)CSc1nncs1 79070176 KZXFBRWTLKOPNW-UHFFFAOYSA-N 312.420 2.059 0 40 DEAB CN(C)CCN(C)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 89314257 ZHAXOPFNCKLCIM-QAPCUYQASA-N 301.434 2.094 0 40 DEAB CCN1CCN(C(=O)[C@@H](C)Sc2ccc(OC)cc2)CC1 30860012 UVJZIGHSNZEYMB-CYBMUJFWSA-N 308.447 2.340 0 40 DEAB CC(C)(C)OC(=O)N1CCC(CN(CC(=O)O)C2CC2)CC1 79392423 WOQFKIHYQADFPZ-UHFFFAOYSA-N 312.410 2.183 0 40 DEAB CC(=O)Nc1ccc(N[C@H]2CCCn3nc(C(=O)O)cc32)cc1 72329842 WINLLTRZLJYLAR-ZDUSSCGKSA-N 314.345 2.487 0 40 DEAB CCn1cnnc1CNC(=O)c1cc2c(s1)CC[C@H](C)C2 44942333 CRBPKNCMRGRBOX-JTQLQIEISA-N 304.419 2.414 0 40 DEAB COCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 224885635 PLCSHPNCGBIYLW-UHFFFAOYSA-N 303.362 2.297 0 40 DEAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1CCc2[nH]cnc2C1 225515952 ZWFYFNCLOWETTA-NSHDSACASA-N 309.373 2.050 0 40 DEAB Cn1c(=O)n(C)c2cc(C[C@H]3C(=O)Nc4ccccc43)ccc21 40268954 JRVVJVWWZUWTAZ-CYBMUJFWSA-N 307.353 2.155 0 40 DEAB COc1ccc([C@@H](NC(=O)NCc2cnc(C)o2)C2CC2)cn1 528011046 OCTUPDCFAGCFJR-HNNXBMFYSA-N 316.361 2.337 0 40 DEAB Cc1cccc(C(=O)N2C[C@H](CNc3ncccn3)C[C@@H]2C)n1 1068291281 VJHSDRRGWUYFDB-KBPBESRZSA-N 311.389 2.143 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1ncccn1 225401383 GZVFMBKVZWLHQH-BETUJISGSA-N 306.410 2.306 0 40 DEAB CCc1noc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 46087649 PYZPFVRSOPKQCC-UHFFFAOYSA-N 321.402 2.200 0 40 DEAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)NCCCO)cc1 47598309 BDWCVXMHPZLYFN-HNNXBMFYSA-N 319.449 2.243 0 40 DEAB O=C1C[C@H](c2cccnc2)C2(CCN(Cc3cccnc3)CC2)N1 96061459 AKVVHABAFDCZJV-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB Cc1cnc(N[C@H]2CCc3c(ccc(=O)n3CC3CC3)C2)nc1 96189737 VJBGODSXMWTZFG-HNNXBMFYSA-N 310.401 2.326 0 40 DEAB Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCc2cccs2)on1 96139649 MEEGERZQFZSFQC-DOMZBBRYSA-N 320.414 2.351 0 40 DEAB CC(C)(CO)CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1 96487177 GYWKKGPKEOFVOT-NSHDSACASA-N 306.189 2.162 0 40 DEAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)nc1 96041859 UDPFYLKDEPEQBY-ZMSDIMECSA-N 300.358 2.485 0 40 DEAB COc1cc(CCNC(=O)[C@H](O)c2ccccc2)ccc1F 95986240 FGLLVFDIJXNODK-MRXNPFEDSA-N 303.333 2.227 0 40 DEAB Cn1ccc2cc(C(=O)NCc3nnc4ccccn34)ccc21 95474634 NKOVSYMSKVRCGC-UHFFFAOYSA-N 305.341 2.151 0 40 DEAB O=S(=O)(Cc1ccon1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 96427999 IRKSXDJUUCDHLZ-CABCVRRESA-N 322.386 2.094 0 40 DEAB C[C@@]1(C(=O)NCc2cccnc2)CC(c2cccc(F)c2)=NO1 96192995 HKIQCGSGTBQKRA-KRWDZBQOSA-N 313.332 2.420 0 40 DEAB CCOC(=O)[C@@](C)(NC(=O)Cc1cn2ccsc2n1)C(C)C 96412228 VSTQXNNAMSYYMM-HNNXBMFYSA-N 323.418 2.032 0 40 DEAB CC(C)[C@H](NC(=O)CNC(=O)c1ccsc1)c1ccccn1 96418686 IHFAZOHKGIIKLI-HNNXBMFYSA-N 317.414 2.386 0 40 DEAB CC[C@@H]1N(C(=O)c2cccnc2)CCC[C@]12CCC(=O)N2C 96052427 CPYUTKLMKGUJKY-YOEHRIQHSA-N 301.390 2.087 0 40 DEAB Cc1nc(-c2cccc(C(=O)NC[C@H](O)c3ccco3)c2)no1 96436102 NOAWLVSVPADGAT-ZDUSSCGKSA-N 313.313 2.101 0 40 DEAB CCOC[C@@H]1COCCC12CCN(c1ncc(F)cn1)CC2 96106396 BYSDPLDLVXCMRB-CYBMUJFWSA-N 309.385 2.275 0 40 DEAB COc1ccc(CC(=O)N2CCCC[C@H]3CNCC[C@H]32)cc1 257203875 ASAKHDFWFVMIFR-DOTOQJQBSA-N 302.418 2.228 0 40 DEAB O=C(c1cc2c(nc1O)CCC2)N1CCC[C@@H](c2cnccn2)C1 257308007 TVBRGZRRWPSONY-CYBMUJFWSA-N 324.384 2.086 0 40 DEAB Cc1cccc(-c2nc3sc(=Cc4ccco4)c(=O)n3n2)c1 254898589 VWHLJXMWIMKTQW-UHFFFAOYSA-N 309.350 2.267 0 40 DEAB CCO[C@@H]1C[C@](O)(CNc2nccc(C(F)(F)F)n2)C1(C)C 276942322 QSCFVIWYAITLEY-MFKMUULPSA-N 319.327 2.473 0 40 DEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H]1Cn1cccn1 69771289 ISTXKCAHPXOUNA-CYBMUJFWSA-N 323.352 2.294 0 40 DEAB CC1(C)Cc2cccc(OCC(=O)Nc3c[nH]ccc3=O)c2O1 63745436 VRCDBAYUFIQAIE-UHFFFAOYSA-N 314.341 2.106 0 40 DEAB Cc1cnc2[nH]c(C3CC3)c(CN3CCC[C@H](C(N)=O)C3)c2c1 72395257 NQEABVBBPAHOCN-ZDUSSCGKSA-N 312.417 2.446 0 40 DEAB CS(=O)(=O)N(C1CC1)C1CCN(Cc2ccccc2)CC1 113511841 XGCQLKJEIHDZGE-UHFFFAOYSA-N 308.447 2.075 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@@H](CCSC)OC)cc1 1775969133 YRXRHTMWOGZZFK-CQSZACIVSA-N 324.446 2.072 0 40 DEAB CN(CCNC(=O)COc1ccc(F)cc1)c1ccccc1 12611518 WFQBBWPNHADWHN-UHFFFAOYSA-N 302.349 2.457 0 40 DEAB COc1ccc(C(=O)Cn2cnc3ccccc3c2=O)c(OC)c1 6086870 ZPKXEWRSGAJDFV-UHFFFAOYSA-N 324.336 2.297 0 40 DEAB CCc1c(C)nn2c(O)cc([C@@H]3CCN(C(=O)C4CC4)C3)nc12 12276413 LVQABOVENZOLSE-GFCCVEGCSA-N 314.389 2.032 0 40 DEAB Cc1noc(C)c1CN1CCC(COc2cnccn2)CC1 1848679352 PMCOOSQMDJAZNI-UHFFFAOYSA-N 302.378 2.372 0 40 DEAB O=C(c1ccc2c(c1)OCO2)c1cc2ccc(O)cc2oc1=O 4937848 DNDFYXYYDUAPFK-UHFFFAOYSA-N 310.261 2.458 0 40 DEAB COCc1cc(C)nc(Nc2ccc(OC)cc2)c1C(N)=O 15108019 VXIXPSLJVFEZOI-UHFFFAOYSA-N 301.346 2.388 0 40 DEAB CC12CN3CC(c4ccccc4)(CN(C1)C3c1ccccn1)C2=O 19322847 RXTSICWNXHTJSQ-UHFFFAOYSA-N 319.408 2.238 0 40 DEAB biogenic Cc1cc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)no1 49029334 YPRYBWKWMAFLOS-UHFFFAOYSA-N 305.319 2.359 0 40 DEAB Cc1csc(N2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)n1 30701776 VGSOSCZXAVNOTA-UHFFFAOYSA-N 317.418 2.014 0 40 DEAB COc1ccccc1N1CC[C@H](NC2CCSCC2)C1=O 90392485 KLEYLEHYJJBDCU-ZDUSSCGKSA-N 306.431 2.286 0 40 DEAB CC(C)(CO)NC[C@@H](O)COc1ccc(Cl)cc1Cl 2679983 XRNMNYDCVWQBLE-SNVBAGLBSA-N 308.205 2.094 0 40 DEAB Cc1scc(C(=O)NN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C 102198352 SJEANPRXYASADQ-QWRGUYRKSA-N 306.387 2.185 0 40 DEAB O=C(Nc1ncccn1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32795977 NMTLWYALLXTFFI-SNVBAGLBSA-N 316.748 2.122 0 40 DEAB COc1ccc2cc(C(=O)O[C@@H]3C[C@@H](C)OC3=O)c(C)nc2c1 32850627 ZCHRVZPXOGCVOJ-RFAUZJTJSA-N 315.325 2.413 0 40 DEAB CCCc1nc(N2CCN(CC)CC2)c2c(n1)c(C)nn2CC 57355850 RPRNCVGASYVMFB-UHFFFAOYSA-N 316.453 2.249 0 40 DEAB Cc1cc(C(=O)Nn2c(S)nc3ccccc3c2=O)cs1 102228870 AYEGEKXMFYJUOW-UHFFFAOYSA-N 317.395 2.439 0 40 DEAB CCCCCCc1c(O)nc(SCCC(=O)O)[nH]c1=O 9056960 WFWPQHHIIQXEGH-UHFFFAOYSA-N 300.380 2.165 0 40 DEAB COC(=O)c1ccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)cc1 33323039 NDDKCOUDSWXRLW-XFFZJAGNSA-N 319.342 2.118 0 40 DEAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)cc1C 22158425 MRVOMMXNRCYQLA-UHFFFAOYSA-N 308.359 2.141 0 40 DEAB Cc1ccccc1-c1noc([C@H]2CCCN(S(C)(=O)=O)C2)n1 113729835 VLTVALGUQUNEAP-LBPRGKRZSA-N 321.402 2.184 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)NC[C@H]1CCOC1 47067569 WCZBBTHNHAXGTF-SECBINFHSA-N 317.183 2.220 0 40 DEAB Cc1ccn(-c2ccc(NC(=O)CCc3cnn(C)c3)cc2)n1 28245302 PPRHCVPBGMJXKV-UHFFFAOYSA-N 309.373 2.486 0 40 DEAB Cc1cccc(OCCNC(=O)CCn2c(C)csc2=O)c1 23796755 RYAWYLXWENADFI-UHFFFAOYSA-N 320.414 2.112 0 40 DEAB FC(F)(F)c1ccnc(NCCc2nnc3ccccn23)n1 24054653 SFIFGYKUNNMHTP-UHFFFAOYSA-N 308.267 2.193 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C\c2ccccc2F)C1=O 1147612 QNJCMOSINLYESM-XFFZJAGNSA-N 309.318 2.425 0 40 DEAB Cc1nnsc1-c1nn2c(-c3ccccn3)nnc2s1 61718465 ZXQMHKVAFQJRQB-UHFFFAOYSA-N 301.360 2.075 0 40 DEAB CCn1cc(NC(=O)CN2C(=O)C(C)(C)c3ccccc32)cn1 57355607 MOKLDLHKQGNZRH-UHFFFAOYSA-N 312.373 2.166 0 40 DEAB Cc1cccc2nc(CN3CCC(C(=O)NC4CC4)CC3)cn12 55912227 CUVBGPWDGOXEEY-UHFFFAOYSA-N 312.417 2.133 0 40 DEAB COc1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1Cl 25765410 SGPZXXSDIXNZKP-QWRGUYRKSA-N 312.797 2.396 0 40 DEAB O=C(NCCOc1ccc2c(c1)CCC2)NCc1ccccn1 57269907 DSCBJOLCXVBHOQ-UHFFFAOYSA-N 311.385 2.449 0 40 DEAB Cc1cc(C)c(NC(=O)CN2CCC[C@H]2C(=O)N(C)C)c(C)c1 27565852 MUPUQCPVNFFYTK-HNNXBMFYSA-N 317.433 2.103 0 40 DEAB O=C1O[C@@H](C(=O)NCCc2cccs2)Cc2ccccc21 44867904 FNKZJSFIAWSVSI-CQSZACIVSA-N 301.367 2.189 0 40 DEAB COCCN(Cc1cccs1)C(=O)NC1CCN(C)CC1 58248379 IBMSEFVVDLDALA-UHFFFAOYSA-N 311.451 2.000 0 40 DEAB CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccccc1F 28238112 WTZNCMQFNGRYRT-UHFFFAOYSA-N 318.352 2.434 0 40 DEAB CNC(=O)[C@@H](CC(C)C)NC(=O)c1cnc(C(C)(C)C)s1 58342738 IBHITOAYWDCRII-SNVBAGLBSA-N 311.451 2.331 0 40 DEAB C[C@H]1C[C@H](OC(=O)C2=Cc3cc(Cl)ccc3OC2)C(=O)O1 36396500 OWBFIQPKNYIVEH-SDBXPKJASA-N 308.717 2.363 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)O 12664390 SNVWKLNNEVZRDS-BONVTDFDSA-N 318.373 2.416 0 40 DEAB biogenic CCOc1ccc(S(=O)(=O)N[C@H](C)CC)cc1NC(C)=O 408557961 PAXDFFVWXBXEOP-SNVBAGLBSA-N 314.407 2.121 0 40 DEAB COCCN1CCCN(C(=O)c2cc3c(s2)CCCC3)CC1 48251605 KRFNAOMJOREWFG-UHFFFAOYSA-N 322.474 2.421 0 40 DEAB COc1cc(/C=C/C(=O)O)ccc1OCc1ccn(C)c(=O)c1 48333906 QBGCTGKXIONPRD-GQCTYLIASA-N 315.325 2.071 0 40 DEAB CSc1nc(C)c(CCC(=O)NCc2ccccc2)c(=O)[nH]1 12929131 REFPIOVALKYRCE-UHFFFAOYSA-N 317.414 2.049 0 40 DEAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)OC 16376302 MKNXAIBMILKEDX-UHFFFAOYSA-N 318.295 2.139 0 40 DEAB NC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 14291521 OYHRFSRJSDITTO-UHFFFAOYSA-N 324.789 2.381 0 40 DEAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)NCCC1=CCCCC1 6533306 XRPAVSVALQCSOL-JTQLQIEISA-N 321.450 2.128 0 40 DEAB Cn1ccnc1S[C@H](C(=O)N1CCOCC1)c1ccccc1 6649759 VPVZOXTVXGDNTE-AWEZNQCLSA-N 317.414 2.112 0 40 DEAB CS(=O)(=O)Cc1cccc(C(=O)NCCc2cccs2)c1 17909721 UPUFXMHWHLMLCD-UHFFFAOYSA-N 323.439 2.265 0 40 DEAB O=C([C@H](Sc1ncccn1)c1ccccc1)N1CCOCC1 8315495 OLQIJYYLLJLOGH-CQSZACIVSA-N 315.398 2.169 0 40 DEAB CCOCC(=O)Nc1c(C)cccc1C(=O)N1CCSCC1 66359653 WVEDGVHNQDIRIF-UHFFFAOYSA-N 322.430 2.159 0 40 DEAB COc1c(C)cc(CN2CCC[C@H](N3CCNC3=O)C2)cc1C 92188591 VKISIYSCKFWLRO-INIZCTEOSA-N 317.433 2.302 0 40 DEAB CC(C)N1CC[C@@H](CNC(=O)c2ccc(NC3CC3)nc2)C1 69565675 MBMVBBPCSILGPI-ZDUSSCGKSA-N 302.422 2.116 0 40 DEAB COc1ccc(-c2nnc(COC(=O)c3cccn3C)o2)cc1 18259688 PKEHMRAMMHURFO-UHFFFAOYSA-N 313.313 2.441 0 40 DEAB Cc1ccc(OCC(=O)N2CCCC[C@@H]2C2OCCO2)cc1 71185091 FCJHPCBCMQCURK-OAHLLOKOSA-N 305.374 2.128 0 40 DEAB CCO[C@@H]1C[C@H](NC2CCN(CCOC)CC2)C12CCCC2 89986141 GZRSJFZVAPCUER-DLBZAZTESA-N 310.482 2.425 0 40 DEAB CC(C)c1cc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2)n[nH]1 71899412 XSHMWIIPONWHEI-NSHDSACASA-N 300.362 2.290 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1C 71870329 IRWIUUTUJDSBJR-GFCCVEGCSA-N 319.434 2.428 0 40 DEAB C[C@H](CS(C)(=O)=O)N(C)c1ccnc(-c2ccccc2)n1 71904238 DMVHZIVTDFDCFG-GFCCVEGCSA-N 305.403 2.013 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC[C@H](O)C1 97162081 LGOWAOHJCTXJFU-YPMHNXCESA-N 308.426 2.174 0 40 DEAB CC(C)[C@@H](NS(=O)(=O)c1cccnc1)c1ccccc1N 97147737 QHJNHFKEDZXBIZ-OAHLLOKOSA-N 305.403 2.339 0 40 DEAB Cc1cc(C)nc(NC(=O)NCCN2C(=O)Cc3ccccc32)c1 97142964 YFPIEFPOHUVMJX-UHFFFAOYSA-N 324.384 2.409 0 40 DEAB COc1ccc(C)nc1NC(=O)NCc1c(C)nn(C)c1C 97143131 OPNSVRGSPNNJMM-UHFFFAOYSA-N 303.366 2.071 0 40 DEAB CCCCOC(=O)[C@H](C)NC(=O)Cc1cn2cccc(C)c2n1 72303215 SNJCWDNJMXDFBU-ZDUSSCGKSA-N 317.389 2.033 0 40 DEAB O=C(OCCc1ccccc1)c1cn(Cc2cccnc2)nn1 76846406 JOQHOZKIFWWLEG-UHFFFAOYSA-N 308.341 2.121 0 40 DEAB COc1cccc([C@@H](C)Sc2nnnn2CCN(C)C)c1 84656261 DIRYWGLWUFQYBB-LLVKDONJSA-N 307.423 2.097 0 40 DEAB CC[C@@H](CNC(=O)N1CCC[C@H](O)C1)Oc1ccccc1F 84733673 XVRVRJCQKLIJNY-STQMWFEESA-N 310.369 2.149 0 40 DEAB COc1ccc(CC(=S)N2CCC3(CC2)OCCO3)cc1 67341780 SUNZWZXNGKFMGA-UHFFFAOYSA-N 307.415 2.404 0 40 DEAB COc1nc(C)cc(C)c1-c1noc(CCc2cnn(C)c2)n1 95429389 OHESSRNSTVYJBW-UHFFFAOYSA-N 313.361 2.276 0 40 DEAB O=S1(=O)CCC[C@@H](Nc2ccnc(-c3ccccc3)n2)C1 95403250 DXQAYHQTUGRAHF-CYBMUJFWSA-N 303.387 2.133 0 40 DEAB OCCn1nc(-c2cccs2)cc1NCC1=CCCOC1 95433956 ZJPHXCCVEWNVLX-UHFFFAOYSA-N 305.403 2.363 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 74689842 JVMKZBMXHBKCKK-SSDOTTSWSA-N 311.288 2.182 0 40 DEAB CC[C@H](C)N(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 74663057 HRCVKRODIVUBJF-LBPRGKRZSA-N 312.435 2.073 0 40 DEAB CCc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cc(C)on2)o1 89286696 IWPXYJRCRCBIDS-LBPRGKRZSA-N 317.345 2.441 0 40 DEAB O=C(COc1ccc(Cl)cc1)N[C@H]1c2ccccc2C[C@H]1O 79694167 DXNAJXARECSQTE-WBVHZDCISA-N 317.772 2.493 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(CCC(F)(F)F)nc2c1 79913347 GEWFYFIAZSQKBQ-UHFFFAOYSA-N 300.236 2.205 0 40 DEAB Cn1cc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cn1 9906905 ZIJBISIJUYABFZ-UHFFFAOYSA-N 320.780 2.162 0 40 DEAB O=C(NC[C@@H]1CCCCO1)c1ccc(-c2cccs2)[nH]c1=O 75126122 ZSISCXJPNQEHDM-NSHDSACASA-N 318.398 2.402 0 40 DEAB CCCC(=O)N1CCC[C@H](C(=O)N(CC)c2ccncc2)C1 75141635 LGYFBIDAPPHWJG-AWEZNQCLSA-N 303.406 2.473 0 40 DEAB O=C(c1cnccn1)N1CCn2c(-c3cccs3)cnc2C1 306131313 KBHMVHLZRIKOBA-UHFFFAOYSA-N 311.370 2.058 0 40 DEAB COc1ccc(CCNCc2ccccc2OCC(=O)O)cc1 72238795 CZNMLTRRBOADQU-UHFFFAOYSA-N 315.369 2.491 0 40 DEAB O=C(c1c(-n2cnnn2)sc2c1CCC2)N1CCCCCC1 36360729 JTWGBFQWORHKKH-UHFFFAOYSA-N 317.418 2.229 0 40 DEAB Cc1cc(Br)cc(C(=O)NCCc2cnn(C)c2)c1 124448240 YOGVBFQKKCGKMC-UHFFFAOYSA-N 322.206 2.464 0 40 DEAB COc1cccc2c(=O)c(I)c[nH]c12 72207198 NNJHLADOTKHUFJ-UHFFFAOYSA-N 301.083 2.141 0 40 DEAB C[C@](O)(CNC(=O)c1cnc2ccccc2n1)c1ccccc1 70639568 LYISYPRMJVRGHY-SFHVURJKSA-N 307.353 2.267 0 40 DEAB O=C(NC[C@H](O)Cc1ccccc1)c1cc(-c2ccco2)on1 70639232 WASPSEDDZKKKEU-CYBMUJFWSA-N 312.325 2.268 0 40 DEAB C[C@@H](SC(=S)N1CCCC1)C(=O)NCC(F)(F)F 72806886 ZVXQWCQPPSJDFV-SSDOTTSWSA-N 300.371 2.167 0 40 DEAB O=C([C@H]1CCCN1C(=O)c1ccc(F)cc1)N1CCSCC1 68361294 UHJZVIRBBPQQRL-CQSZACIVSA-N 322.405 2.006 0 40 DEAB CCc1ocnc1C(=O)NC[C@H](C)Oc1ccccc1OC 81098597 KAHGSSGXSPQZMZ-NSHDSACASA-N 304.346 2.443 0 40 DEAB Cc1noc(C2CN(C(=O)c3cc(-c4cccs4)n[nH]3)C2)n1 49482294 IZSGDQUDZWWVOS-UHFFFAOYSA-N 315.358 2.069 0 40 DEAB NC(=O)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 45953423 YWFPOJJAXWLEOE-LURJTMIESA-N 306.671 2.197 0 40 DEAB CSc1ccc(S(=O)(=O)N2CCCC2)cc1NC(C)=O 225698502 FYPGPEIPRJOHHE-UHFFFAOYSA-N 314.432 2.151 0 40 DEAB COc1ccc(CCCN2CCC[C@H](NC(C)=O)C2)cc1F 97103877 PWTPBFRWCHSFHK-HNNXBMFYSA-N 308.397 2.367 0 40 DEAB O=C(NC[C@H](CO)Cc1ccc(Cl)cc1)[C@@H]1CCCOC1 95407028 HAYFPHAYJOVRNT-ZIAGYGMSSA-N 311.809 2.034 0 40 DEAB CCO[C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1Cc1ccccc1 96200405 OQVTWLLZECTOIY-IKGGRYGDSA-N 303.402 2.272 0 40 DEAB CCOC[C@H]1CN(C(=O)c2ccc(C)o2)Cc2cnn(C)c21 96060089 LYAOPIAZYDUELN-CYBMUJFWSA-N 303.362 2.098 0 40 DEAB Cc1nccc(N2CCN(c3ncnc4ccsc34)CC2)n1 266242577 LSIFMNRBQCYVEJ-UHFFFAOYSA-N 312.402 2.116 0 40 DEAB c1ccc2c(c1)nc1n2[C@@H](CNCc2nccs2)COC1 96112712 BIXIZDFNBFDGQF-NSHDSACASA-N 300.387 2.354 0 40 DEAB biogenic,in-vitro CCn1nnc2c1CCN(Cc1ccoc1)[C@H]2COCC1CC1 96068767 VXTKQGFVFIOSQC-INIZCTEOSA-N 316.405 2.417 0 40 DEAB CC(C)[C@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccccn1 96472674 HMWNOCHWDXAINU-HIFRSBDPSA-N 312.435 2.267 0 40 DEAB COc1cc(CN2CC3(C[C@@H](OC)CS3)C2)cc(OC)c1 247825247 FLKCMGZYENLULP-OAHLLOKOSA-N 309.431 2.410 0 40 DEAB NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2cccnc2)s1 257307605 SZKXPVPECSXRSU-NSHDSACASA-N 316.386 2.004 0 40 DEAB Cc1ccnc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 257243531 IHKPFYPHEPKYBX-KRWDZBQOSA-N 323.396 2.487 0 40 DEAB C[C@H](CN(C)[C@H](C)C(=O)NC[C@H]1CCCO1)c1ccccc1 252477989 ZFQAZKBLANEMSP-BFYDXBDKSA-N 304.434 2.406 0 40 DEAB CN1C(=O)CO[C@H]2CCN(Cc3ccccc3Cl)CC[C@@H]21 257309110 TZOLIHYNYATXPW-GJZGRUSLSA-N 308.809 2.162 0 40 DEAB O=C(c1cncs1)N1CCC(c2ccnc3ccnn23)CC1 257203509 AQJXFMDZYYOWBM-UHFFFAOYSA-N 313.386 2.206 0 40 DEAB O=C(Cn1cccn1)N1CCCC[C@@H]2NC[C@@H](c3ccccc3)[C@@H]21 257266728 MEFGPAXUYVIEAY-LNLFQRSKSA-N 324.428 2.020 0 40 DEAB CCOC[C@H]1CCn2nccc2CN1Cc1ncccc1C 585096890 DZNQVAOAPOUUJN-MRXNPFEDSA-N 300.406 2.398 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cnc[nH]3)C2)c1 585273703 DJODREYQPDMBTG-QGZVFWFLSA-N 301.390 2.124 0 40 DEAB C=CC(=O)N1CC[C@@H](c2cc(Nc3ccccn3)nc(C)n2)C1 585292624 PTVBPRCPDLZHAC-CYBMUJFWSA-N 309.373 2.426 0 40 DEAB Cc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)o1 57145174 UJSOFZLSQJRPMI-UHFFFAOYSA-N 300.362 2.146 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)NCCOc2cc(C)cc(C)c2)C1 55526868 IRMIMSIHXRLNGY-MRXNPFEDSA-N 318.417 2.057 0 40 DEAB Cc1cc(NC(=O)[C@H](CC(C)C)N2CCCCC2=O)nnc1C 87297367 OTZZXQJPKBBXFD-AWEZNQCLSA-N 318.421 2.459 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)on2)cn1 75127287 KAWNTCLKTNFYHJ-OAHLLOKOSA-N 323.356 2.447 0 40 DEAB O=C(c1cccc2cn[nH]c12)N1CCc2ccccc2[C@@H]1CO 97097635 DWSKBOBUWGEBLX-INIZCTEOSA-N 307.353 2.295 0 40 DEAB CC(C)Cc1cc(CC2(NCc3ccc(CO)o3)COC2)no1 1772595166 CFROJLPGJIBYNB-UHFFFAOYSA-N 320.389 2.060 0 40 DEAB Cn1c(O)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1=O 5626158 UYXSYFKIRONOJR-UHFFFAOYSA-N 314.128 2.045 0 40 DEAB COCC(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(OC)c1 12085301 ZGDFUIXCMNHQDU-ZENOOKHLSA-N 305.374 2.100 0 40 DEAB CN1CCN(CC(C(=O)O)(c2ccccc2)c2ccccc2)CC1 19366700 BQVBNRCYOWARAZ-UHFFFAOYSA-N 324.424 2.305 0 40 DEAB Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4C[C@H]3CS4)CC2=O)cc1 575606804 MFBFNCYDQPOHMN-VHDGCEQUSA-N 316.426 2.064 0 40 DEAB CCOC(=O)C1CCN(C[C@H](O)COc2cccc(C)c2)CC1 353016 MIXARTSGVVLQPS-INIZCTEOSA-N 321.417 2.010 0 40 DEAB Cc1ccc(SCCCC(=O)N2CCNC(=O)[C@@H]2C)cc1 12443700 ZHIRZWVEAFFYIM-ZDUSSCGKSA-N 306.431 2.214 0 40 DEAB Cc1nc2ccccn2c1C(=O)NC[C@@H](c1ccco1)N(C)C 38629924 YCQIALMZAVJRMF-ZDUSSCGKSA-N 312.373 2.268 0 40 DEAB Cc1nnc(SCCCOc2ccc(C(=O)O)cc2)n1C 8731677 QHQQMCLYDCXRIZ-UHFFFAOYSA-N 307.375 2.383 0 40 DEAB CC(=O)N1C[C@H](C(=O)NCc2ccccc2)Oc2ccccc21 17356057 MOLNSGHRNZKHFG-QGZVFWFLSA-N 310.353 2.117 0 40 DEAB CCN1CCN(Cc2ccc(CNC(=O)CC(C)C)cc2)CC1 40115266 RXRIFDNSAUQBHQ-UHFFFAOYSA-N 317.477 2.486 0 40 DEAB CN(C(=O)CNC(=O)C1CCCC1)[C@@H]1CCc2ccccc21 30728842 COQRPNLLZCQQKF-MRXNPFEDSA-N 300.402 2.439 0 40 DEAB Cc1cc(C)n2nc(C(=O)NCCCC3CCCC3)nc2n1 31145852 JBCFUQJAPYXOBF-UHFFFAOYSA-N 301.394 2.441 0 40 DEAB CCc1nnsc1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 40473403 SOLPOXHHOOJULW-ZDUSSCGKSA-N 316.430 2.105 0 40 DEAB COc1ccc(NC(C)=O)cc1NCC(=O)Nc1cc(C)on1 11620190 JWESJIRBZOVDMV-UHFFFAOYSA-N 318.333 2.001 0 40 DEAB CC(C)N1C[C@H](C(=O)Nc2nc(-c3ccc[nH]3)cs2)CC1=O 46169198 SGXPDQLPYXOZNC-SNVBAGLBSA-N 318.402 2.334 0 40 DEAB O=C(NCc1ccco1)[C@H]1CS[C@@H]2c3ccccc3C(=O)N12 2336753 QHENUKIWYFERAK-CZUORRHYSA-N 314.366 2.166 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccc(O)cc2)C1 4241713 YEQAEEHLROODEZ-QWHCGFSZSA-N 307.346 2.427 0 40 DEAB O=C(NOCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 46319763 FEGOHKPTVKCZTI-OAHLLOKOSA-N 310.353 2.288 0 40 DEAB CC(C)OCCCNC(=O)c1cccc(N2CCCC2=O)c1 4991557 AACQFBVZCISGOW-UHFFFAOYSA-N 304.390 2.358 0 40 DEAB C[C@H]1CN(C(=O)CCNc2ncnc3ccsc23)C[C@@H](C)O1 52445314 VNEALLNRNABPAB-PHIMTYICSA-N 320.418 2.129 0 40 DEAB Cc1nc2ccc(N3CCOCC3)cc2c(O)c1CN(C)C 8717435 OFDZBCQNZJPNSI-UHFFFAOYSA-N 301.390 2.147 0 40 DEAB COc1cc(CNC(=O)c2csnn2)c2ccccc2n1 78878630 RGUTYQSOQAQZRU-UHFFFAOYSA-N 300.343 2.025 0 40 DEAB COc1ccc(-c2cc(N3CCC[C@@H](C(=O)O)C3)ncn2)cc1 32918485 WIAGTARAKCTUSU-CYBMUJFWSA-N 313.357 2.453 0 40 DEAB C[C@H](Sc1nnnn1C[C@H]1CCCO1)C(=O)c1ccccc1 71076627 XGSPCVLHBGKYJN-WCQYABFASA-N 318.402 2.216 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 52765840 FIZIBBJNRJVKRA-IUODEOHRSA-N 313.357 2.335 0 40 DEAB O=C(c1ccoc1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 107207466 NUWWVMZTTOMJIM-PMPSAXMXSA-N 314.341 2.126 0 40 DEAB c1ccc(-n2ncc(CN3CCC(c4cc[nH]n4)CC3)n2)cc1 58290031 QVLYDACQXWQKOM-UHFFFAOYSA-N 308.389 2.370 0 40 DEAB CC1=C(C(=O)N(C)C)[C@@H](c2ccccc2Cl)NC(=S)N1 555235 VLCFYXKWKKTGGJ-GFCCVEGCSA-N 309.822 2.221 0 40 DEAB CC(C)CNC(=O)c1cc(=O)c(OCc2ccccc2)cn1C 12165889 UNYLKNKXEHEUKL-UHFFFAOYSA-N 314.385 2.350 0 40 DEAB Cc1cc(CNC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)on1 103823834 PRZBPPPKWYIZRP-QJRTVWDNSA-N 304.390 2.321 0 40 DEAB COc1ccc(OC)c(NC(=O)N2CCN3CCC[C@@H]3C2)c1 27932334 QFIWEWCTDNJTFH-GFCCVEGCSA-N 305.378 2.016 0 40 DEAB COc1ccc(N2C(=O)C[C@H](NCC3CCCCC3)C2=O)cc1 100619712 ITBAQFJMLZWCFN-INIZCTEOSA-N 316.401 2.497 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)N1CCC2(CC1)OCCO2 47496684 DIZYSUQVDMSXTP-QLFBSQMISA-N 310.438 2.003 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(CC(=O)O)C2CC2)CC1 100204074 FUKKSVAEAKLABL-TXEJJXNPSA-N 312.410 2.371 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)N2CCCC2)C1 62720715 BLPXGULVKBFLIC-CYBMUJFWSA-N 312.410 2.025 0 40 DEAB NC(=O)c1ccc(Cn2c(=O)oc3cc(Cl)ccc32)cc1 57712755 IHNVUCWLYOZSIA-UHFFFAOYSA-N 302.717 2.395 0 40 DEAB COc1ccc2ccccc2c1CNC[C@H]1CCS(=O)(=O)C1 44862848 ZQWYKEQJSLXZGD-CYBMUJFWSA-N 319.426 2.373 0 40 DEAB O=C(Nc1ccn(Cc2ccncc2)n1)c1ccc2[nH]cnc2c1 58218129 LRYIJJOFINAENW-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB CCN(CC)CCCNC(=O)c1cc2c(C)nn(C)c2nc1C 44910914 UEDBGWHVYUZYJK-UHFFFAOYSA-N 317.437 2.047 0 40 DEAB C[C@H]1CN(C(=O)CSc2ncnc3ccccc23)C[C@@H](C)O1 12655820 YERBXCRVOYHNCK-TXEJJXNPSA-N 317.414 2.358 0 40 DEAB COc1cc(NC(=O)CSc2nccn2C)cc(OC)c1 12600696 MCWFIZOUZZASDR-UHFFFAOYSA-N 307.375 2.168 0 40 DEAB CCN(Cc1nc(Cc2ccccc2)no1)C[C@H](C)C(=O)OC 58431089 LCYUDGSRALDUIB-ZDUSSCGKSA-N 317.389 2.291 0 40 DEAB CCOC(=O)c1ccc(NCC(=O)Nc2cc(C)on2)cc1 11036950 MOBXGLCKBFSCFJ-UHFFFAOYSA-N 303.318 2.210 0 40 DEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccncc1 12791624 JJGNQTRFJQPQRH-UHFFFAOYSA-N 309.369 2.067 0 40 DEAB O=C(Nc1nccs1)c1ccc(=O)n(Cc2ccccc2)n1 3524116 BIEMNANKJSTSGN-UHFFFAOYSA-N 312.354 2.000 0 40 DEAB COCCNC(=O)CN(C)Cc1ccc2cc(OC)ccc2c1 12937427 IEFFGYJCWIWRII-UHFFFAOYSA-N 316.401 2.043 0 40 DEAB CCc1nnc2n1N=C(c1cccs1)[C@@H](CC(=O)O)S2 8391830 RGDWUZJAOKXKNR-MRVPVSSYSA-N 308.388 2.103 0 40 DEAB O=C(NCc1ccccc1-n1cccn1)c1cccnc1S 63701672 OMHNPXHXEUYQCO-UHFFFAOYSA-N 310.382 2.486 0 40 DEAB O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)ccc1Cl 4181527 GFLFKUHYSVELRX-OZVVPTBGSA-N 317.728 2.350 0 40 DEAB O=C1c2ccccc2S(=O)(=O)N1CCOc1ccc(F)cc1 4164290 WBJOIZVEWRCILF-UHFFFAOYSA-N 321.329 2.049 0 40 DEAB COc1cc2cc(C(=O)NC[C@H]3CCCO3)[nH]c2cc1OC 5204517 APVHIAUXMIGKDC-LLVKDONJSA-N 304.346 2.094 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1c(F)cccc1F 8403374 UVIIBWPXTPZPES-UHFFFAOYSA-N 315.283 2.257 0 40 DEAB O=C(NCc1csc(Br)c1)N1CCC(O)CC1 65440327 CKNZSIGMJNWKKJ-UHFFFAOYSA-N 319.224 2.177 0 40 DEAB CCCCc1nc(C)c(C(=O)NCCNc2cnccn2)s1 65405938 XQHIRPUEQPWIIR-UHFFFAOYSA-N 319.434 2.426 0 40 DEAB O=C([C@@H]1CCCN1CCc1cccs1)N1CCSCC1 65565432 MIMWMYDIQGEWJZ-AWEZNQCLSA-N 310.488 2.330 0 40 DEAB CC(C)NC(=O)N[C@H]1C[C@@H](Cc2cc(CN(C)C)on2)C1(C)C 67889790 PUGLCOHOGDNBTH-DOMZBBRYSA-N 322.453 2.401 0 40 DEAB biogenic,in-vitro COc1c(CN[C@@H]2CCOc3c(F)cccc32)c(C)nn1C 65625055 FGNBVMXBVUUZAT-CQSZACIVSA-N 305.353 2.490 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 14245456 NNFQRNUHQOKAHR-UHFFFAOYSA-N 313.357 2.446 0 40 DEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1 69538107 XZVZHFZPZDXMDN-JKSUJKDBSA-N 321.442 2.045 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)CC1 69518014 OLHJEODFLZUOJW-MSOLQXFVSA-N 321.509 2.440 0 40 DEAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cnccn1 66803548 DCCMIZCFPQHDSW-UHFFFAOYSA-N 320.356 2.324 0 40 DEAB C[C@H](c1ccco1)N(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 76010931 IYOMVLRWTLANBA-ZJUUUORDSA-N 318.295 2.210 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)n(C)n1 76094788 NQXUSNGRLWMQFG-HNNXBMFYSA-N 316.380 2.471 0 40 DEAB Cc1cc(CN(C)c2cc(C(F)(F)F)nc3ncnn23)no1 76677467 BUIUOYDIAPLRQU-UHFFFAOYSA-N 312.255 2.076 0 40 DEAB CC(C)(C)OCCN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 67807249 XYGMNUOTNLSLQF-MRXNPFEDSA-N 308.353 2.408 0 40 DEAB O=C(NCCOc1ccc(F)c(F)c1)N1CCSCC1 78545693 HMBRLADEFSBXEK-UHFFFAOYSA-N 302.346 2.102 0 40 DEAB C[C@H](SC1=NCCS1)C(=O)N1CC(=O)Nc2ccccc21 9049843 HOFHGZIPXLIJRU-VIFPVBQESA-N 321.427 2.196 0 40 DEAB CCN(CC)CCCNS(=O)(=O)Cc1ccccc1Cl 9190847 SBRTYMXVIQMVBT-UHFFFAOYSA-N 318.870 2.491 0 40 DEAB CC1(C)C(=O)N(CN2CCC(OC[C@@H]3CCCO3)CC2)C1(C)C 83630586 FEERUGBGKOAKOK-HNNXBMFYSA-N 324.465 2.251 0 40 DEAB O=C(Cn1ccnc1-c1ccccn1)NCCOc1ccccc1 71888736 UMABNTFZTQWFPR-UHFFFAOYSA-N 322.368 2.140 0 40 DEAB Cc1csc(N2CCN(Cc3nnsc3Cl)CC2)n1 71852377 PQDZWRKAHLJTOX-UHFFFAOYSA-N 315.855 2.279 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCc3nnc(N)cc3C2)s1 72279501 GMVBTGDQEYTPBZ-VXGBXAGGSA-N 314.414 2.117 0 40 DEAB CCCCS(=O)(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 72296364 CCPWUUPSPIELSC-ZDUSSCGKSA-N 322.434 2.390 0 40 DEAB CN(Cc1ccc(Cl)s1)C(=O)Cn1ccsc1=O 72295140 LOWRBBPXDJTAAB-UHFFFAOYSA-N 302.808 2.283 0 40 DEAB CCc1ocnc1C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 72299507 ITSWHWRMWGOXPV-SNVBAGLBSA-N 302.334 2.475 0 40 DEAB Cc1nonc1NC(=O)c1cnc(OCC2CC2)c(Cl)c1 97085647 COWKGSWMRYUTSG-UHFFFAOYSA-N 308.725 2.468 0 40 DEAB CCOc1cccc(CN2CCN(Cc3ccncc3)CC2)n1 97086150 ZWJXYMWWVWNIKY-UHFFFAOYSA-N 312.417 2.193 0 40 DEAB Cc1nccc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)n1 97199101 ZRDJAZBIXQAEKT-GFCCVEGCSA-N 313.405 2.024 0 40 DEAB CCc1nc([C@@H](C)NCC(=O)Nc2cc(C)nn2C)cs1 97112255 YNVOLNFRXXYYRS-SNVBAGLBSA-N 307.423 2.037 0 40 DEAB Cn1nnc2cc(C(=O)OCc3ccc4cn[nH]c4c3)ccc21 84311212 TVCWAKWALHXROB-UHFFFAOYSA-N 307.313 2.202 0 40 DEAB CN1CCN(c2ccc(Br)cc2NC(=O)COc2ccc(CC#N)cc2)CC1 97371673 ADDLIOAIBARWSD-GFCCVEGCSA-N 443.345 3.284 0 40 DEAB NC(=O)c1ccc(N2CCc3cc(Cl)cc(Cl)c3C2)nn1 95409490 XMKJPAZNMVOBGX-UHFFFAOYSA-N 323.183 2.445 0 40 DEAB CC[C@H](C(=O)N[C@H](C)COc1cccc(F)c1)N1CCCC1=O 95401376 KVGROVUOGUSRIU-IUODEOHRSA-N 322.380 2.110 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H]1NCCC1Cc2ccccc2C1 95985135 SWCJWNCTPMSOKU-IRXDYDNUSA-N 307.459 2.347 0 40 DEAB Cc1ccc2c(CC(=O)N3CC(=O)Nc4cnccc43)c[nH]c2c1 75148659 GYYQFJJIAMYEDI-UHFFFAOYSA-N 320.352 2.399 0 40 DEAB Cc1ccc(CCNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)cn1 89652217 REBZXZJIXFDGIJ-ZFWWWQNUSA-N 317.389 2.337 0 40 DEAB CC(C)CCNC(=O)c1c(O)n2c3c(cccc3c1=O)CC2 1322171 ZOTKFMQAFAHOJH-UHFFFAOYSA-N 300.358 2.039 0 40 DEAB biogenic O=C(NCc1ccc2c(n1)CCCC2)c1cc(O)nc(C2CC2)n1 516877280 STIMTYGBFHXDGG-UHFFFAOYSA-N 324.384 2.263 0 40 DEAB Cn1ccnc1C(=O)c1cccc(NC(=O)CCn2cccc2)c1 524734690 CUAXVFDNJKFTCT-UHFFFAOYSA-N 322.368 2.481 0 40 DEAB COc1ccc([C@@H](NC(=O)c2cnn3cccnc23)C2CC2)cn1 530257699 CHIUNCWZOKGPLU-HNNXBMFYSA-N 323.356 2.014 0 40 DEAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@@H](C)Cn1cncn1 78323478 ARPAMHMJBFNEPW-YNEHKIRRSA-N 311.455 2.030 0 40 DEAB O=C(O)CN1CCC[C@@H](CN(Cc2ccccc2)C2CC2)C1 79416260 JIOQAJQKQSCWIE-MRXNPFEDSA-N 302.418 2.448 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226629290 OBGUHHIBCDQXFQ-AMSHYAFOSA-N 323.348 2.031 0 40 DEAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCCc1ccccc1 225748716 KORTULITHGEMQZ-UHFFFAOYSA-N 324.355 2.500 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(NCc2noc(C)n2)cc1 86188503 ZKKJVOYZXGPOGG-UHFFFAOYSA-N 324.406 2.021 0 40 DEAB Cc1cccc(CNC(=O)C2=COCCO2)c1Br 190353205 HMVBFSVURPOMOT-UHFFFAOYSA-N 312.163 2.262 0 40 DEAB c1ccc(CN2CCC[C@]3(CCN(c4ncccn4)C3)C2)nc1 96158048 ZPCGWEJPGXWRSL-SFHVURJKSA-N 309.417 2.364 0 40 DEAB Fc1ccc(-c2ncnc3c2CCN([C@@H]2CCOC2)CC3)cc1 96255294 KJQWEEMJQNCOKH-OAHLLOKOSA-N 313.376 2.472 0 40 DEAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2ccc(F)cc2)C1 96057662 IGZCDADDHSRVRJ-IAOVAPTHSA-N 318.392 2.084 0 40 DEAB CC(C)CN1C(=O)CCC12CCN(Cc1cnn(C)c1)CC2 96228031 APCNGGXNBHOCSY-UHFFFAOYSA-N 304.438 2.033 0 40 DEAB Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)o1 96053827 QGVNBAXIXLCOND-GJZGRUSLSA-N 311.385 2.187 0 40 DEAB COCCC(=O)N1CC[C@]2(CCN(Cc3ccc(C)o3)C2)C1 96071116 HEYMHNMECJDRGE-KRWDZBQOSA-N 306.406 2.049 0 40 DEAB O=C(C1CC=CC1)N1CCc2ncnc(-c3cccnc3)c2CC1 96187614 WESSBVNRQCODRT-UHFFFAOYSA-N 320.396 2.432 0 40 DEAB O=C1N(c2cccnc2)CC[C@]12CCCN(Cc1cccnc1)C2 96224520 YMVLHLQTSXVPGO-IBGZPJMESA-N 322.412 2.496 0 40 DEAB O=C(c1ccco1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053691 JPTAHOUQYWUNLC-JQWIXIFHSA-N 302.355 2.076 0 40 DEAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCC[S@](C)=O 96408790 SEWMDZNWXCPGAZ-LRTDBIEQSA-N 310.463 2.421 0 40 DEAB Cc1cn2c(CN[C@@H]3CCc4nnc(C)n4C3)c(C)nc2s1 97199396 RBXQAHBCGSNWDI-GFCCVEGCSA-N 316.434 2.017 0 40 DEAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(C)nc1)C2 96229793 BENKIVHUXNWTMT-GOSISDBHSA-N 315.417 2.397 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@H](c2cccc3nccn23)C1 257233959 GRNAKIKJGWPREM-AWEZNQCLSA-N 321.384 2.453 0 40 DEAB Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccccc3F)C2)n1 257248732 JEYIFHZEXQCFCY-NSHDSACASA-N 309.366 2.035 0 40 DEAB NC(=O)c1cc(C[C@@H]2CCCN(Cc3ccccc3)CC2)ncn1 257313742 UTXRJJVFGSCBET-OAHLLOKOSA-N 324.428 2.420 0 40 DEAB CC(C)N1CCN2[C@H](CN(C(=O)c3ccccc3)CC2(C)C)C1 253399503 JNEWGGHFYAIRGV-KRWDZBQOSA-N 315.461 2.316 0 40 DEAB biogenic,in-vitro O=C(c1noc2c1CCCC2)N1CCC[C@@H](Cc2ccn[nH]2)C1 257314048 UVDDDLWETFTGRT-LBPRGKRZSA-N 314.389 2.371 0 40 DEAB COc1cc(NC(=O)N2CC[C@@H](O)C2)cc(OC)c1C(C)C 390833216 DTEJUOKXJVHERB-GFCCVEGCSA-N 308.378 2.426 0 40 DEAB O=C(CCF)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575404008 KZZKGDSVOUKKNR-CQSZACIVSA-N 303.337 2.033 0 40 DEAB CCONC(=O)Nc1cn(-c2ccccc2C(F)(F)F)nn1 585141802 YRWTWRBMBXFHHI-UHFFFAOYSA-N 315.255 2.359 0 40 DEAB CCN(CC)CCCNC(=O)c1c(N)cnn1C1CCCC1 685936336 RMSIPTHRJXSRFI-UHFFFAOYSA-N 307.442 2.042 0 40 DEAB Cc1noc(C)c1CN(C)C[C@@H](O)COCc1cccs1 69150541 QBUOXFKYGMGUOS-CYBMUJFWSA-N 310.419 2.362 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)c1ccccc1F)c1nncn1C 69349644 URXOLPWUWBFQSE-NSHDSACASA-N 319.384 2.292 0 40 DEAB CN1CCCC[C@@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 69619998 GCMBYKVKSKHGDD-CABCVRRESA-N 321.490 2.486 0 40 DEAB O=S(=O)(Nc1cccnc1N1CCCC1)c1ccccc1 69659898 FIZHNDUSJDDBFA-UHFFFAOYSA-N 303.387 2.483 0 40 DEAB Cc1cc(=O)n(Cc2ccccc2F)c(N2CCSCC2)n1 65307446 JZOZWHVQMAEYNO-UHFFFAOYSA-N 319.405 2.292 0 40 DEAB O=C1C[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CN1C1CC1 74803197 BRYMWKXZMXVBRT-UDMGLPGGSA-N 302.418 2.082 0 40 DEAB CSCC[C@](C)(O)CNC(=O)C1(c2ccc(F)cc2)CC1 75157536 QZACAPQHHKPALN-HNNXBMFYSA-N 311.422 2.478 0 40 DEAB O=C(CNC(=O)c1cc2ccccc2[nH]1)NC(C1CC1)C1CC1 79430593 XJUNURQBIXMHJT-UHFFFAOYSA-N 311.385 2.203 0 40 DEAB CC1(C)[C@]2(C(=O)N3CCC[C@@H](C(=O)O)C3)CC[C@@]1(C)C(=O)C2 2147024 YOFGYQIZDUGKMQ-ZTFRIQLXSA-N 307.390 2.095 0 40 DEAB Cn1nc2c(c1C(=O)NCC(C)(C)N1CCCCC1)CCCC2 19656527 HXKTUUZTIMKMQU-UHFFFAOYSA-N 318.465 2.293 0 40 DEAB COCC(=O)N1CCc2nc(-c3ccc(F)cc3)sc2C1 19719741 MORCLUFGZPQZGV-UHFFFAOYSA-N 306.362 2.480 0 40 DEAB CSCC[C@H](N)C(=O)N1CCC(OC2CCCC2)CC1 157312613 DVEBZIXFXKOVDK-AWEZNQCLSA-N 300.468 2.017 0 40 DEAB Cc1ccccc1C1=NO[C@H](CC2(C(=O)O)CCNCC2)C1 12157363 SLFRZDKWQQREJV-ZDUSSCGKSA-N 302.374 2.333 0 40 DEAB CC(C)CNC(=O)COC(=O)c1nc(Cl)ccc1Cl 3600208 XXGINTFBSGSIMO-UHFFFAOYSA-N 305.161 2.317 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCC(=O)N(C(C)C)C(C)C)cc1 6347792 GTYHNIFRYZQHGW-UHFFFAOYSA-N 320.389 2.447 0 40 DEAB Cc1ccc(C)c(CN2CCC(NS(=O)(=O)C3CC3)CC2)c1 1889128426 IRHKBGLVYDKGKE-UHFFFAOYSA-N 322.474 2.350 0 40 DEAB C[C@@H](CC(N)=O)NC[C@H](c1ccccc1Cl)N1CCCC1 38775066 LDMWOHWLLYNMGD-SWLSCSKDSA-N 309.841 2.330 0 40 DEAB Cc1cncc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183863 BTIUOQSLGGZLLA-ZDUSSCGKSA-N 324.375 2.259 0 40 DEAB O=C(Cc1cccc2ccccc12)NCc1nnc2n1CCC2 40480498 PJSWFOPQRRTWDL-UHFFFAOYSA-N 306.369 2.236 0 40 DEAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 40598304 AKVHHNQYMMULHA-SNVBAGLBSA-N 320.817 2.099 0 40 DEAB O=C(CCc1ccccn1)NCCN1CCc2ccccc2C1 69370871 VEZWJWDEMGXFMU-UHFFFAOYSA-N 309.413 2.189 0 40 DEAB COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC 2621587 ZZJAGDSXYXZYKL-UHFFFAOYSA-N 308.359 2.350 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(F)c1 32815899 KYMROCVEHZDCHX-SECBINFHSA-N 318.270 2.483 0 40 DEAB O=C(NN1CCOCC1)C1c2ccccc2Oc2ccccc21 2772312 CQSYAWQVCYTVKV-UHFFFAOYSA-N 310.353 2.288 0 40 DEAB COc1ccc(CS(=O)(=O)C[C@@H]2CCCO2)c(Cl)c1 83927837 MUQSAMCFOBJTFV-LBPRGKRZSA-N 304.795 2.442 0 40 DEAB O=C(NCCS(=O)(=O)Cc1ccccc1)c1cccc(F)c1 41617645 MOQMXBKKINFNTI-UHFFFAOYSA-N 321.373 2.171 0 40 DEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1n[nH]c(=O)c2ccccc12 103338520 BPBRHVSSCFFXRK-TYNCELHUSA-N 313.401 2.407 0 40 DEAB CC1CCN([C@H](CN[C@H](C)CC(N)=O)c2cccs2)CC1 22357383 QPLSPTNASRNDRE-ZIAGYGMSSA-N 309.479 2.375 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccc(NC(=O)C2CC2)cc1 22900093 PINQRXZXDZACCU-ICFOKQHNSA-N 301.371 2.176 0 40 DEAB CC(C)(C)c1ccc(OCCNc2ccc3nnnn3n2)cc1 54448605 GMUOHXZMYCZUBX-UHFFFAOYSA-N 312.377 2.308 0 40 DEAB CCN(CC)[C@H](CNC(=O)[C@H]1CCCO1)Cc1ccccc1 47508370 XMXFYRHXZPKAIO-DLBZAZTESA-N 304.434 2.235 0 40 DEAB COCCOCc1cccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 47589892 IBJLPCHJZGFLRM-OKILXGFUSA-N 322.405 2.491 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 106025121 MCCXHPUVTGCZDK-SDDRHHMPSA-N 308.403 2.099 0 40 DEAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cccc(C)n3)cc12 25082440 KTDNHWMWYAYIBG-UHFFFAOYSA-N 310.313 2.305 0 40 DEAB Cc1nnc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)s1 43412266 CPBBPSOWTWBFFC-ZDUSSCGKSA-N 317.418 2.243 0 40 DEAB CC(=O)N1CCc2cc(C(=O)Nc3c(C)c(C)nn3C)ccc21 106719316 XELJWPCYUIDHFA-UHFFFAOYSA-N 312.373 2.198 0 40 DEAB CCOC(=O)CCN(Cc1ccccc1)[C@H](C)C(=O)OCC 22058751 HLAPXDOWOOBGGE-CQSZACIVSA-N 307.390 2.393 0 40 DEAB in-vitro C[C@](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)(C(N)=O)c1ccccc1 107136133 BUCSELBSCHZHSU-UYAYXHRUSA-N 300.402 2.330 0 40 DEAB CCNC(=O)COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 25650982 DAYQLBZPOAZGRS-ZDUSSCGKSA-N 302.374 2.496 0 40 DEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)OC2=O 100260975 VENIOCPKQSRIHO-IRXDYDNUSA-N 317.341 2.476 0 40 DEAB Cc1ccc(OCC(=O)OCC(=O)NC2CCCCC2)cc1 28614133 ARHXLLNMJNNJMU-UHFFFAOYSA-N 305.374 2.366 0 40 DEAB CS(=O)(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)no1 44938322 IICJFRUOQQMEKY-UHFFFAOYSA-N 306.265 2.300 0 40 DEAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 69489487 NKXASGFJUZXKPQ-CYBMUJFWSA-N 306.381 2.450 0 40 DEAB O=C(CCc1cccs1)NCCS(=O)(=O)c1ccccc1 48273982 VAYQYBIFBGJORW-UHFFFAOYSA-N 323.439 2.271 0 40 DEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCn1ccnc1 48309137 FWGMYKJUNJHWHJ-OWCLPIDISA-N 307.438 2.477 0 40 DEAB CC(C)C[C@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 3597324 BZESJEAEVCEKGI-GFCCVEGCSA-N 323.780 2.245 0 40 DEAB CC(C)c1ccccc1-n1ccnc1SCC(=O)NC(N)=O 8479241 DUKGMMDYBOMTLU-UHFFFAOYSA-N 318.402 2.283 0 40 DEAB C[C@@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(C)(C)c1ccccc1 69705779 SIIWUMWXMAUWKZ-KGLIPLIRSA-N 321.442 2.417 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)Nc1ccc(Cl)cc1 64345650 GWJJRESPAQNXDI-UONOGXRCSA-N 309.797 2.325 0 40 DEAB C[C@@H]1OP2(CN3CCOCC3)(O[C@H]1C)O[C@@H](C)[C@@H](C)O2 13756139 SONWGKSRPBOBEP-ZDEQEGDKSA-N 307.327 2.137 0 40 DEAB COC[C@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 39977591 DCASNCIMQFLGDH-HZMBPMFUSA-N 312.797 2.058 0 40 DEAB CCC[C@@H](C)NC(=O)COc1ccc(N2CCCC2=O)cc1 14199972 VOANMUMISGISCO-CYBMUJFWSA-N 304.390 2.497 0 40 DEAB CCCCCC[C@@H](C)NC(=O)COC(=O)c1c(C)noc1N 14249125 XHGAMPRFOSMTJJ-SNVBAGLBSA-N 311.382 2.197 0 40 DEAB CCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 6542747 PNQLCDDAPHIODU-UHFFFAOYSA-N 316.810 2.473 0 40 DEAB CN(C(=O)NCC(F)(F)F)C1CCN(c2ccccn2)CC1 66179739 PDENFIHELGCVBF-UHFFFAOYSA-N 316.327 2.254 0 40 DEAB COC(=O)C1=C(C)N(C)C(=O)C[C@@H]1c1ccc(OC)cc1OC 4785097 KBACGBANOLMCJO-CYBMUJFWSA-N 319.357 2.097 0 40 DEAB Cc1ccc(CN2CCC(C(=O)NCCCN(C)C)CC2)cc1 20102852 ZDWWVJMYUDUGCF-UHFFFAOYSA-N 317.477 2.275 0 40 DEAB Cc1cc(C)n2nc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc2n1 110532120 CRVRIGQWJQVOOC-XDQVBPFNSA-N 313.405 2.296 0 40 DEAB CCC(CC)NC[C@@H](O)COc1ccc(C(C)=O)cc1OC 7063710 TVDWPFXCNCDLSA-OAHLLOKOSA-N 309.406 2.416 0 40 DEAB CN(C)C(=O)CO[C@@H]1CCC2(CCNCC2)c2ccccc21 306140592 UYJXMRQFZIFASK-MRXNPFEDSA-N 302.418 2.248 0 40 DEAB Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1 7548086 FOUVXQOBODFNQY-SECBINFHSA-N 305.359 2.218 0 40 DEAB CCCOc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 7616071 VGIDCJUVBWPNNS-UHFFFAOYSA-N 319.810 2.150 0 40 DEAB C[C@@H]1NC(=S)N(Cc2ccc(F)cc2C(F)(F)F)C1=O 71883946 DPTWTSOPOQEJBF-LURJTMIESA-N 306.284 2.450 0 40 DEAB Cc1cnn(CCC(=O)N2CCCC[C@H]2Cn2cc(C)cn2)c1 71865987 UEBKHENMLUEOOQ-INIZCTEOSA-N 315.421 2.168 0 40 DEAB COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@H]2C)cc1O 71924572 WGRWMMZTUQWHHR-CHWSQXEVSA-N 306.406 2.280 0 40 DEAB COCc1c(Br)cccc1NC(=O)N(C)CCO 72289448 UEVIRSILTKQGKO-UHFFFAOYSA-N 317.183 2.052 0 40 DEAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cnc2cc(C)ccn12 89949124 DIAAHGAMMMKHBH-DOTOQJQBSA-N 314.433 2.379 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@H]1NCCOc1ccccc1Cl 97033440 GMPAUUZTFBWKCY-TZMCWYRMSA-N 317.838 2.274 0 40 DEAB Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H](CO)c1ccccc1 97020988 UTCQUFXQIQAOEZ-IAQYHMDHSA-N 317.389 2.428 0 40 DEAB CCN(CCO)C(=O)c1csc(-c2ccc(OC)cc2)n1 97177497 KNCJMGHZSUUQHH-UHFFFAOYSA-N 306.387 2.273 0 40 DEAB COc1cccc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)n1 97234630 ICVSRGAUFSFXGY-AWEZNQCLSA-N 315.377 2.250 0 40 DEAB Cc1nc(C)c(CNC(=O)NCc2cccnc2N(C)C)s1 76084833 RSIALSKNCVBQFD-UHFFFAOYSA-N 319.434 2.220 0 40 DEAB COCCCNC(=O)c1ccc(OC)c(Br)c1 10277221 OXOUWZNDLXMDHA-UHFFFAOYSA-N 302.168 2.224 0 40 DEAB CC1=NN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C(=O)O)cc2)CC1 95424748 XMCXUVLBQZHSRX-HUUCEWRRSA-N 315.373 2.256 0 40 DEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccc(F)c2)C1=O 409101156 AETXONYOFDCZCQ-LBTPYSACSA-N 309.318 2.424 0 40 DEAB Cc1c(CCNC(=O)c2cc(F)cc(Cl)c2O)cnn1C 89544725 BXWBDLMXYMDSPV-UHFFFAOYSA-N 311.744 2.199 0 40 DEAB CON(C)C(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 309601260 SCEZZNUUAXWOBM-HAQNSBGRSA-N 300.399 2.337 0 40 DEAB Cc1nc2c(n1CCO)CC[C@@H](NC(=O)CC1CCCCC1)C2 552147605 PKWMPFHVWDHVGQ-OAHLLOKOSA-N 319.449 2.128 0 40 DEAB Cc1ncn(-c2ccc(NC(=O)CCC(=O)N(C)C)cc2)c1C 1549926598 GWTIFJHIMRYGHJ-UHFFFAOYSA-N 314.389 2.296 0 40 DEAB O=C(NC1CCC(Oc2cnccn2)CC1)c1cscn1 188245173 PWIKPOXUWHIZPS-UHFFFAOYSA-N 304.375 2.053 0 40 DEAB COc1ccc2cc([C@@H](C)C(=O)NCCNC(C)=O)ccc2c1 32716911 XUXGTPWEQHBCHZ-GFCCVEGCSA-N 314.385 2.204 0 40 DEAB COC(=O)CNC(=O)c1ccc(COc2ccccc2C)o1 32610784 HFXQHDXAKQDZTA-UHFFFAOYSA-N 303.314 2.070 0 40 DEAB CCc1onc(C)c1C(=O)Nc1ccc(OCCO)c(C)c1 121216457 UHTZFJPDOKGQID-UHFFFAOYSA-N 304.346 2.477 0 40 DEAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCOCC1 38832729 GHHQPNYGOUICDQ-HNNXBMFYSA-N 322.836 2.411 0 40 DEAB CCn1cc([C@H]2CN(C(=O)NCCC3=CCCC3)CCO2)cn1 189661863 WWXMURYHJVCNTF-MRXNPFEDSA-N 318.421 2.486 0 40 DEAB Cc1ccc(C2=NO[C@@H]3CN(Cc4cnc(C)nc4)C[C@H]23)cc1 72343262 KCKNPCIQBQAPDZ-DLBZAZTESA-N 308.385 2.328 0 40 DEAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1cccnc1N 71195606 IHQJKWXBTAHTOI-ZDUSSCGKSA-N 313.405 2.423 0 40 DEAB CCS[C@H]1CCC[C@H]1NC(=O)c1cc(O)nc2ncn(C)c12 565439862 WCCKJAYTDKDFCF-MNOVXSKESA-N 320.418 2.078 0 40 DEAB O=C1N(Cc2ccccn2)C[C@H]2CN(Cc3ccccc3)CCN12 77266589 UIBUFQUZCVLMDZ-GOSISDBHSA-N 322.412 2.204 0 40 DEAB biogenic,in-vitro O=C(Nc1ccccc1CN1CCC(O)CC1)C(F)(F)F 182058955 QRBQDUACGKCLIH-UHFFFAOYSA-N 302.296 2.144 0 40 DEAB NC(=O)CN(C(=O)c1ccc(OC(F)F)cc1)C1CCCC1 47236319 GUYNFQUEWIYOMV-UHFFFAOYSA-N 312.316 2.158 0 40 DEAB O=C(c1ccncc1)N1CC[C@H](c2nnc(-c3cccnc3)o2)C1 49171062 OSYNXRXXHCSDMC-AWEZNQCLSA-N 321.340 2.156 0 40 DEAB biogenic,in-vitro CN1CCO[C@@H](C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C1 83007608 WCZZLTKOUSDITM-MRXNPFEDSA-N 320.820 2.286 0 40 DEAB Cc1c(CNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)cnn1C 576834882 VDTVWCFCYRRRIU-HNNXBMFYSA-N 320.824 2.301 0 40 DEAB Cn1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cn1 96039803 TUDBNEXZGGSTBJ-ZWKOTPCHSA-N 319.449 2.218 0 40 DEAB O=C(O)CN1C(=O)S/C(=C/c2ccc3c(c2)CCCO3)C1=O 95470837 XRMAKSWWLFBAKJ-KPKJPENVSA-N 319.338 2.133 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCc3ccc(F)cc32)C1 95414385 RWKAFDNPJCOJHG-WMLDXEAASA-N 320.364 2.408 0 40 DEAB CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@@H]2CCOC2)cc1 96430688 KRLMLLIGIRGCAO-HNNXBMFYSA-N 316.401 2.035 0 40 DEAB O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1cccnc1 97235897 LLXSUTCRRVEFCG-UHFFFAOYSA-N 303.265 2.296 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)Nc2cccc(F)c2)C1 96419831 PAVBOKMMICUJHT-STQMWFEESA-N 314.382 2.303 0 40 DEAB CCOc1ncnc2c1CCN(C(=O)CC1CCCC1)CC2 96255635 DVYHRWSXMBTKJI-UHFFFAOYSA-N 303.406 2.383 0 40 DEAB C[C@H](CNS(=O)(=O)Cc1ccon1)c1nc2ccccc2o1 96446681 BKNWYRVIMIMNKA-SNVBAGLBSA-N 321.358 2.039 0 40 DEAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)N[C@@H]1C=C[C@H](CO)C1 92501048 QBPBYVSWRWGYIR-KHMAMNHCSA-N 310.438 2.062 0 40 DEAB c1cnc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccco4)C3)C2)nc1 96048328 MKMAWSJBDSWHBF-YOEHRIQHSA-N 314.389 2.305 0 40 DEAB Cc1nccc(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)n1 257220351 DKMKQWOLJIAJPW-MRXNPFEDSA-N 319.368 2.379 0 40 DEAB COCc1ccccc1CNC(=O)c1cc(C)nc2ccnn12 257295193 QXIVARURBHAJBC-UHFFFAOYSA-N 310.357 2.114 0 40 DEAB O=C(Cc1cccs1)NCC[C@H](O)c1ccc2c(c1)OCO2 90612498 HOLDLJNBZCLVGX-ZDUSSCGKSA-N 319.382 2.259 0 40 DEAB COc1ccc(-n2cc(CNC(=O)c3cccs3)nn2)cc1 87422156 FRCBOTZBXGOFJW-UHFFFAOYSA-N 314.370 2.267 0 40 DEAB CCCCCCNC(=O)C(=O)NCc1ccc(OCC)cc1 298082997 DITOOKAXIHOEDB-UHFFFAOYSA-N 306.406 2.398 0 40 DEAB Cc1oncc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1 575607278 ZANGRZXFLNAUGK-UHFFFAOYSA-N 320.292 2.480 0 40 DEAB O=C(c1cc2cccc(F)c2[nH]1)N1CC[C@@]2(CCCO2)C(=O)C1 585288487 BRSFVDRUQYDLNZ-KRWDZBQOSA-N 316.332 2.271 0 40 DEAB CO[C@]1(COc2ccc(C)cc2)CCN(C(=O)c2cnco2)C1 585273828 FCURTNVKCIAHOJ-QGZVFWFLSA-N 316.357 2.293 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC[C@@H]2C(F)(F)F)cc1C(=O)O 906986805 HJQNYWGPNQOJIW-SNVBAGLBSA-N 323.292 2.019 0 40 DEAB CCN(CC)C(=O)[C@H](C)Nc1cc(OC)c(OC)c(OC)c1 55617501 PULUVCUNRBVDEY-NSHDSACASA-N 310.394 2.381 0 40 DEAB CN(C(=O)CCCNC(=O)c1ccc(F)cc1)c1nccs1 57341045 BKBNHDXYUJVATK-UHFFFAOYSA-N 321.377 2.455 0 40 DEAB Cc1cc(Br)oc1C(=O)N1CCN(C)C[C@@H]1C 89606808 CKMGILFJYZWRNQ-VIFPVBQESA-N 301.184 2.127 0 40 DEAB O=C(CN1C(=O)S/C(=C/c2ccsc2)C1=O)N1CCCC1 205915001 RDIVNQNGOIYBCO-YRNVUSSQSA-N 322.411 2.407 0 40 DEAB COCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3055463 AVZBZOJEDFKDIG-VKAVYKQESA-N 324.380 2.220 0 40 DEAB Brc1cnn(CC2CN(Cc3ccccn3)C2)c1 1889090357 OVSKJNZYTUTOGQ-UHFFFAOYSA-N 307.195 2.173 0 40 DEAB CC(=O)N1CCC(c2nc(O)cc(-c3nccs3)n2)CC1 19016812 JZSUPEIPRZAKMJ-UHFFFAOYSA-N 304.375 2.032 0 40 DEAB Cc1cc(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)ccc1Cl 19901397 ZIOXQGIHIRUNLG-MGPQQGTHSA-N 313.825 2.497 0 40 DEAB COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OCC(=O)O 6306018 OBGBKAVOLIQQFK-LZYBPNLTSA-N 324.333 2.017 0 40 DEAB O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)N1CCCC1 983023 HGQQTGJLUTUESL-DHZHZOJOSA-N 322.411 2.407 0 40 DEAB O=C(Nc1nnc(SCCN2CCCC2)s1)C1CCC1 35311288 ZABJJVLVRYGQGT-UHFFFAOYSA-N 312.464 2.465 0 40 DEAB CCOc1ccc(NCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 104550500 UUUACIGVNXGBSY-HUUCEWRRSA-N 300.358 2.406 0 40 DEAB CC(=O)c1cccc(NC(=O)C[C@@H](C(=O)O)N2CCCCC2)c1 5257932 WRTGRQANQUHPSO-HNNXBMFYSA-N 318.373 2.157 0 40 DEAB Cc1cnccc1O[C@H]1CCN(c2ncnc3c2ccn3C)C1 1889136204 BBNLEDXPGHFHQV-ZDUSSCGKSA-N 309.373 2.329 0 40 DEAB Cc1cc(C)c(S(=O)(=O)NCCC(=O)OC(C)C)c(C)c1 15358808 LCMLXCJGCVTQKB-UHFFFAOYSA-N 313.419 2.232 0 40 DEAB COc1cc2nc(CN3CCC[C@@H](C)C3)[nH]c(=O)c2cc1OC 21323755 KLGMKLOFHLCBPF-LLVKDONJSA-N 317.389 2.172 0 40 DEAB CC(C)CN1C[C@@H]2CN(C(=O)/C=C/c3cccs3)C[C@@H]2C1=O 1565553711 CCZUGZWFKDMVCE-RFMXEPQUSA-N 318.442 2.334 0 40 DEAB CCOc1nn(CC)cc1C(=O)NCCc1ccc(OC)cc1 9070283 WGYDWWBXPPFMRC-UHFFFAOYSA-N 317.389 2.283 0 40 DEAB O=S(=O)(NC[C@H](O)c1ccoc1)c1ccc(Cl)s1 75171836 OBRJZMIEEVESPK-QMMMGPOBSA-N 307.780 2.006 0 40 DEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC3CCC3)C2)n(C(C)C)n1 2332241716 XEMRUBPHAAONQY-NWANDNLSSA-N 322.453 2.145 0 40 DEAB Cc1cccc(C(=O)N2CCC(NC(=O)c3ccncc3)CC2)c1 40135065 FWNORFGNTIDLJX-UHFFFAOYSA-N 323.396 2.425 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 31235509 WJQNMLFDNGYZJP-LBPRGKRZSA-N 316.430 2.357 0 40 DEAB CN(Cc1ccco1)C(=O)NCCc1ccc2c(c1)OCO2 40549461 WNHDVUFIUCINAQ-UHFFFAOYSA-N 302.330 2.392 0 40 DEAB C[C@@H](NC(=O)Nc1cccnc1)c1ccc2c(c1)NC(=O)CO2 40505519 RNLGTPWSOSOVLT-SNVBAGLBSA-N 312.329 2.295 0 40 DEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(OC)cc1 65573 MQNZQNQZFWHKMR-CQSZACIVSA-N 314.345 2.139 0 40 DEAB COc1ccc(-c2noc(-c3cc(C)nn3C)n2)c(OC)c1 69616695 ZITJHAQCCFJJGP-UHFFFAOYSA-N 300.318 2.463 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)[C@H]2CC(=O)N(CC)C2)c1 46148358 GPSCNHHTNMHPRT-LBPRGKRZSA-N 320.389 2.291 0 40 DEAB CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccccc1 3451388 OKDQZPGPMQUWCA-JSGCOSHPSA-N 308.447 2.453 0 40 DEAB O=C(CCC(=O)Nc1ccc(O)cc1)Nc1ccc(O)cc1 4744189 GFMAOCXRFKDDDX-UHFFFAOYSA-N 300.314 2.455 0 40 DEAB Cn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cn1 8989765 UKVGWMKAKPDKNT-UHFFFAOYSA-N 319.430 2.064 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1F 102911981 HYJLQMOGYUDUGW-KCQAQPDRSA-N 316.376 2.192 0 40 DEAB COCCN1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1 69738355 UPBOYUSZJCMYLY-CQSZACIVSA-N 316.405 2.062 0 40 DEAB COc1ccc(F)cc1CSCC(=O)Nc1nc(C)no1 69772537 XTSGELFARPIYKE-UHFFFAOYSA-N 311.338 2.398 0 40 DEAB CN(C)c1nc(N)nc(COc2c(Cl)cccc2Cl)n1 23055588 MDKRWIFZACZUPD-UHFFFAOYSA-N 314.176 2.406 0 40 DEAB Cc1ncsc1CNC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C 104475647 QJBILNFUXAQKAW-GFCCVEGCSA-N 323.462 2.495 0 40 DEAB CCOC(=O)NCC(=O)N(C)CC12CC3CC(CC(C3)C1)C2 42400428 UJLCGUMLPJNXGQ-UHFFFAOYSA-N 308.422 2.407 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(C)c(C)c2)CC1 71835185 PUWVNDJCRUYGLY-QZTJIDSGSA-N 314.429 2.488 0 40 DEAB CC[C@@H](Sc1nc(C)cc(N)n1)C(=O)Nc1cc(C)on1 12543665 NAPIYZKIIFFZMQ-SECBINFHSA-N 307.379 2.173 0 40 DEAB CC[C@]1(C)NNC2=C(C=CC3=NN[C@](C)(CC)N32)n2cccc21 103982856 PDUKIRLVLWWWDE-IRXDYDNUSA-N 312.421 2.262 0 40 DEAB CC[C@H](O)[C@H]1CCCCN1CCS(=O)(=O)c1ccccc1 71907799 DBILRPAVIODIPR-CVEARBPZSA-N 311.447 2.086 0 40 DEAB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc2c(c1)OCO2 62001528 HIVLLLMSCJPNTB-SJLPKXTDSA-N 308.337 2.340 0 40 DEAB biogenic CN(CC(=O)NC(C)(C)C)Cc1nccn1Cc1ccccc1 26907294 NOYOVRCTXZOISG-UHFFFAOYSA-N 314.433 2.278 0 40 DEAB CC(C)[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1nnc2n1CCC2 89801888 MYQOHWABJNFUSH-BXUZGUMPSA-N 305.426 2.361 0 40 DEAB CCOC(=O)CN(CC(C)C)C(=O)c1cnc2onc(C)c2c1 58278040 FATXCFBDDFXUTG-UHFFFAOYSA-N 319.361 2.193 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)N(C2CCCC2)C2CC2)C1=O 58433639 QAQXXQJGTUMAPP-UHFFFAOYSA-N 321.421 2.031 0 40 DEAB Cc1oc(-c2ccccc2)nc1CSc1n[nH]c(=O)n1C 48252429 FQKAMRIVZOKBOK-UHFFFAOYSA-N 302.359 2.364 0 40 DEAB CNC(=O)CN(C)c1nc(-c2ccccc2)nc2ccccc12 18057306 IGMUTGQNZFWWPN-UHFFFAOYSA-N 306.369 2.479 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)o1 48303270 QYJDGHXPTQPCTO-AAEUAGOBSA-N 319.405 2.165 0 40 DEAB COc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)c1 3454731 GVFSWKSANMVDFS-GFCCVEGCSA-N 314.341 2.275 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)NC(C2CC2)C2CC2)c1 69818394 VCHUZGHOTGYMPS-QWHCGFSZSA-N 304.438 2.035 0 40 DEAB CC(=O)c1ccccc1NC(=O)COC(=O)c1c(C)noc1C 3564242 XEVXXCWOTXVZEV-UHFFFAOYSA-N 316.313 2.290 0 40 DEAB CC(C)n1cnnc1CCNC(=O)CO[C@H]1CCC[C@@H](C)C1 89927342 KBCSJPXRILPYIQ-KGLIPLIRSA-N 308.426 2.113 0 40 DEAB COc1ccccc1-c1c[nH]cc1C(=O)N1CCN(C)C[C@H]1C 89938328 VXAWGMKMSVCNLG-CYBMUJFWSA-N 313.401 2.466 0 40 DEAB CN(Cc1ccccc1Br)C(=O)[C@]1(C)CCNC1 62894422 GKGPFCIAAQITNT-CQSZACIVSA-N 311.223 2.407 0 40 DEAB CCOc1ccc(CC(=O)Nc2nc(CC(=O)O)cs2)cc1 13404800 LHXVBXVKGSSXET-UHFFFAOYSA-N 320.370 2.350 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 49394676 AEKXEOUOWWGSFQ-MRXNPFEDSA-N 300.402 2.221 0 40 DEAB CC(=O)N(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1ccc(C)cc1 4157279 VXQYZRWZVMFPSK-FSDCSDTHSA-N 324.380 2.113 0 40 DEAB COc1cccc(NC(=O)CN(C)C(=O)Cc2ccccc2)c1 6309109 IBRGBZVCQMCLSO-UHFFFAOYSA-N 312.369 2.335 0 40 DEAB COc1cccnc1NC(=O)Cn1ccc(=O)c2ccccc21 65512639 ZUUNQSVAPNONPI-UHFFFAOYSA-N 309.325 2.044 0 40 DEAB CCn1c(C)cc(C(=O)NC2(C(=O)NC)CCCCC2)c1C 65577499 YQNSYWKNHIYVSH-UHFFFAOYSA-N 305.422 2.304 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)[C@H](C(N)=O)c1ccc(F)cc1 14170121 VWTDIMKWCRFXLU-INIZCTEOSA-N 316.332 2.213 0 40 DEAB Cc1ccc(C)c(NC(=O)COC(=O)C2(O)CCCCC2)c1 14146864 ZKKXPMWVZCXTDC-UHFFFAOYSA-N 305.374 2.480 0 40 DEAB O=C(Cn1nc(-c2ccco2)oc1=O)Nc1c(F)cccc1F 14140999 MXRIMJUPZQGVBM-UHFFFAOYSA-N 321.239 2.013 0 40 DEAB CCN(CC(=O)NC(C)(C)C)Cc1cn2cc(C)ccc2n1 7049748 GZNKANZFCDDJFZ-UHFFFAOYSA-N 302.422 2.379 0 40 DEAB CN(CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1 15350147 PDYNVWJRNZZEDN-UHFFFAOYSA-N 302.378 2.059 0 40 DEAB Cc1cc(C)cc(OCCN2C(=O)C(=O)N(CC(C)C)C2=O)c1 7211846 KNYWJLCLVGOKAZ-UHFFFAOYSA-N 318.373 2.129 0 40 DEAB NC(=O)c1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 7281744 NVHVAEYLNNSXMV-UHFFFAOYSA-N 324.315 2.363 0 40 DEAB O=C(NC1CC1)c1cccc(NS(=O)(=O)c2cccs2)c1 7325515 ZTPKGJSRPDDAGI-UHFFFAOYSA-N 322.411 2.441 0 40 DEAB CC(=O)c1ccccc1NC(=O)Cc1n[nH]c(=O)c2ccccc12 7942300 GVWBIFMJVYQLPQ-UHFFFAOYSA-N 321.336 2.307 0 40 DEAB C[C@H](Sc1nnnn1C1CC1)c1nc2ccccc2c(=O)[nH]1 8230996 AVAHTDYPXKGWDD-QMMMGPOBSA-N 314.374 2.098 0 40 DEAB CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8247901 XBXRWHSGZCHHCN-QWHCGFSZSA-N 304.390 2.353 0 40 DEAB CS(=O)(=O)c1ccc(-c2csc(N3CCOCC3)n2)cc1 8394080 XBFPWHRNOCFWIM-UHFFFAOYSA-N 324.427 2.050 0 40 DEAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(=O)[nH]c1 9446311 ZTGWAZDITSLXTF-UHFFFAOYSA-N 310.275 2.366 0 40 DEAB Cc1ccc(-n2nc(C(=O)N3CCC(N)CC3)c3c2CCC3)cc1 96999916 ZGBRLSFMCHVFQA-UHFFFAOYSA-N 324.428 2.233 0 40 DEAB O=C(NCCOC[C@@H]1CCCO1)N1CCC[C@@H](C(F)(F)F)C1 72286317 FKBLKUMJSHMRME-NEPJUHHUSA-N 324.343 2.166 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)[C@H]2COc3ccccc32)no1 72299091 QEJZDXRWNYUFCR-STQMWFEESA-N 313.357 2.472 0 40 DEAB CC(C)n1c([C@@H]2CCCN(C(=O)CN)C2)nc2ccccc21 97019891 XQSVLHXYPVWMFR-CYBMUJFWSA-N 300.406 2.282 0 40 DEAB Cc1noc([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 84286507 QXNACRZEWIZQGF-SNVBAGLBSA-N 321.402 2.296 0 40 DEAB O=C(Cn1cc(-n2cccc2)cn1)Nc1ccc2c(c1)OCO2 72311104 HZMIBAAMCLXUKV-UHFFFAOYSA-N 310.313 2.041 0 40 DEAB CC[C@H](C)NC(=O)c1sccc1NC(=O)c1cnccn1 67335450 VHBDVPDENYTVFS-VIFPVBQESA-N 304.375 2.319 0 40 DEAB CCc1cnc(CN(C(C)=O)[C@H]2CCN(CC3CCC3)C2)o1 78892287 GHSYZNRYRZBTDO-HNNXBMFYSA-N 305.422 2.460 0 40 DEAB O=C(Cc1ccn[nH]1)NC[C@@H](O)c1cc2ccccc2s1 84595012 NDCZPDSZDCPHJK-GFCCVEGCSA-N 301.371 2.017 0 40 DEAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NCCCn1ccnc1 84640695 OJAVCJYOXOUESU-AWEZNQCLSA-N 316.405 2.251 0 40 DEAB CN1C(=O)N[C@](C)([C@@H]2CCCN(CCC3CCCC3)C2)C1=O 95402581 FWLBVXUWHBOZKH-RHSMWYFYSA-N 307.438 2.219 0 40 DEAB O=C1C[C@@H](C(=O)NCC2(c3ccccc3Cl)CCC2)CN1 95453412 AJGPKMQBDHPLBT-LLVKDONJSA-N 306.793 2.014 0 40 DEAB Cc1nc(N2CCc3cncnc3C2)c2cnn(C(C)(C)C)c2n1 95426259 ZQQMMJUGYMCECG-UHFFFAOYSA-N 323.404 2.242 0 40 DEAB CN(CC(=O)Oc1ccc2nccnc2c1)C(=O)OC(C)(C)C 95444894 QAVXKOWHFHUSLM-UHFFFAOYSA-N 317.345 2.402 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2ccc3[nH]ccc3c2)cn1C 79495460 MBDUGUZFYNKZCM-UHFFFAOYSA-N 311.341 2.193 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)c2ccncc2Cl)cc1 73847874 PQDWMEUKAYOCDM-UHFFFAOYSA-N 317.776 2.203 0 40 DEAB COC(=O)[C@@H](C)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 74027432 PTHWAMVLASFWIW-LLVKDONJSA-N 300.358 2.263 0 40 DEAB COC[C@@H](O)CNc1ccc2cccc(Br)c2n1 89409746 PCPMOFHEZXVXRN-JTQLQIEISA-N 311.179 2.417 0 40 DEAB COCCN1CCC(CNC(=O)c2c(C)oc(C)c2C)CC1 89557938 IOFLLIOTNNSTTJ-UHFFFAOYSA-N 308.422 2.293 0 40 DEAB Cc1noc(-c2ccccc2C(=O)N2CC[C@@]3(CCOC3)C2)n1 89721213 RTRKGYMNWTUXST-QGZVFWFLSA-N 313.357 2.298 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1cccc(Cl)c1 89774594 UMADCLJFXVKPFA-OLZOCXBDSA-N 316.792 2.298 0 40 DEAB O=C(NC[C@@H](O)c1ccsc1)c1cc2ccccc2oc1=O 56906299 QNCCFMCLMZEBAH-CYBMUJFWSA-N 315.350 2.318 0 40 DEAB C[C@H](CNC(=O)NC[C@H]1CCCOC1)Oc1ccccc1F 175747921 AMFJEAKLIPIWGK-CHWSQXEVSA-N 310.369 2.319 0 40 DEAB COC(=O)c1cc(I)c(OC)cc1C 39951664 QAMZVIZCGKAHLU-UHFFFAOYSA-N 306.099 2.395 0 40 DEAB COc1ccc(OC)c(COC[C@@H](O)CNC2CCCC2)c1 32594532 WGTCLNCXGVXDFP-HNNXBMFYSA-N 309.406 2.114 0 40 DEAB CCc1ncc(CN[C@@H]2CC(=O)N(C3CCCCC3)C2)cn1 516258105 JYHMGVIMPJSOSR-CQSZACIVSA-N 302.422 2.062 0 40 DEAB CCOC(=O)c1sc2sc(C(=O)OCC)c(N)c2c1N 2557722 FTGFURZVTLYXEX-UHFFFAOYSA-N 314.388 2.481 0 40 DEAB biogenic CC(C)n1cc(Br)cc1C(=O)N1CCC(N)CC1 36857533 GUXSAKTWLMVRLR-UHFFFAOYSA-N 314.227 2.395 0 40 DEAB Cc1cc(C(=O)NCc2ccc(C)o2)nc(N2CCCC2)n1 72241150 WTGXMXSYYAGKCI-UHFFFAOYSA-N 300.362 2.217 0 40 DEAB Cc1c(C(=O)NC[C@@]2(O)CCCNCC2)sc2ccccc12 72148155 SEFMBSCRZFXFSF-QGZVFWFLSA-N 318.442 2.444 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccn1 222745845 LYUWMUPOYJWBFB-AWEZNQCLSA-N 311.385 2.135 0 40 DEAB CS(=O)(=O)Cc1ccccc1NCC(=O)N1CCCCCC1 83137681 MMMFFDVLRASCCL-UHFFFAOYSA-N 324.446 2.046 0 40 DEAB O=C(c1ccc2nncn2c1)N1CCc2c(F)ccc(F)c2C1 84228549 BBXNPLJZYDQTBH-UHFFFAOYSA-N 314.295 2.206 0 40 DEAB CC(C)n1cc(N2Cc3nc(N4CCCC4)ncc3C2=O)cn1 46088079 ALRACNVWTZMPPU-UHFFFAOYSA-N 312.377 2.015 0 40 DEAB CCc1nc2n(n1)CCC[C@H]2NC(=O)Nc1c(C)noc1C 88377422 QBIILYSLYCMSRF-SNVBAGLBSA-N 304.354 2.102 0 40 DEAB COc1cccc(CN(C)C(=O)[C@@H]2CCC(=O)c3cccn32)n1 575603086 JUNVDFWBZUIRJH-AWEZNQCLSA-N 313.357 2.068 0 40 DEAB Cn1cncc1CN1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238424 SPIOXEOKDXRUFA-GOSISDBHSA-N 310.401 2.049 0 40 DEAB Cc1ccc(OCC(=O)NCCOc2ccc(F)cc2)cn1 96428866 ZUEJAKKYUJZDAV-UHFFFAOYSA-N 304.321 2.103 0 40 DEAB c1ccc(N2CC[C@@]3(COCCN(Cc4ccoc4)C3)C2)nc1 96062460 FHDWMYPBNLYOLL-SFHVURJKSA-N 313.401 2.404 0 40 DEAB CCn1cc(S(=O)(=O)N2CC[C@@H](Cc3ccccc3)C2)cn1 96428234 MQIMYQQAEPPMHI-HNNXBMFYSA-N 319.430 2.156 0 40 DEAB CN(C)C(=O)[C@H]1C[C@@H]2CN(Cc3ccc(Cl)cc3)C[C@H]1O2 96252833 UYLWQVDIVINYDO-QLFBSQMISA-N 308.809 2.018 0 40 DEAB Cc1ccc(Cl)c(OC[C@H](O)Cn2cnc(C)c(C)c2=O)c1 97375803 NULDWXDRQRPLIZ-CYBMUJFWSA-N 322.792 2.262 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@H]2C1 95437810 GYLDSTDDNJOCBZ-IXDOHACOSA-N 303.402 2.332 0 40 DEAB CC(C)c1ccc(C(=O)NC(C)(C)CN2CCOCC2)nc1 331362059 ZUMGBIWCTVOVOC-UHFFFAOYSA-N 305.422 2.046 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)s2)CC1 96482707 FFNMZAFVOXDOSR-QWRGUYRKSA-N 308.451 2.140 0 40 DEAB Cn1cccc1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257259286 KXQUXXHBZHYNNG-QGZVFWFLSA-N 314.389 2.161 0 40 DEAB Cn1cc(C(=O)N2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)cn1 257229806 FZOBZSPYQYVFMI-CYBMUJFWSA-N 323.400 2.391 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 257231433 GGQQAXAQKPUWEO-CYBMUJFWSA-N 318.446 2.442 0 40 DEAB CN(C)c1cccc([C@@H]2CN(Cc3ncccc3F)CCO2)n1 257223565 DXYJFWYRRUBHNP-INIZCTEOSA-N 316.380 2.255 0 40 DEAB Cc1nccnc1CCNC(=O)N1CCOC2(CCCCC2)C1 296725115 CLFDEWPGWFENQH-UHFFFAOYSA-N 318.421 2.072 0 40 DEAB CO[C@H]1CN(C(=O)CCC(=O)O)CC[C@@H]1Cc1ccccc1F 585279495 MXYYUWAOLOLWFQ-HIFRSBDPSA-N 323.364 2.097 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 58344860 OYRYJLAGYCZSDO-SECBINFHSA-N 318.826 2.486 0 40 DEAB Cc1cc(C)cc(C[C@H](C)NC(=O)NCc2nccn2C)c1 96440532 QBOAZXNOZWNXLL-AWEZNQCLSA-N 300.406 2.467 0 40 DEAB CCNC(=O)Cn1ccc(NC(=O)Nc2cccc(F)c2C)n1 81083524 AEPCHEISCOWCLR-UHFFFAOYSA-N 319.340 2.111 0 40 DEAB CCS[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(N)cc2)C1 195562495 XDHUGNIWSFCEHB-NWDGAFQWSA-N 300.449 2.221 0 40 DEAB O=C(c1ccccc1)c1ccn2c3nc(=O)sc-3cnc2c1 5998953 VVMJDCABGGPBBO-UHFFFAOYSA-N 307.334 2.487 0 40 DEAB Cc1ccc2c(c1)oc(=O)n2CCNC(=O)c1cccs1 12188631 WOVSVABHGNQRMP-UHFFFAOYSA-N 302.355 2.394 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C)CC(C)C)c1 12922210 NRXZESGNSFPQJO-GFCCVEGCSA-N 312.435 2.101 0 40 DEAB COc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1OC 169355946 XHLFNVPBYCNQPZ-UPJWGTAASA-N 323.414 2.194 0 40 DEAB O=C1COc2ccc(C(=O)COC(=O)c3ccccc3)cc2N1 3466378 HKFAIFOMIQLBDI-UHFFFAOYSA-N 311.293 2.057 0 40 DEAB CC(=O)N1C[C@@H]2C[C@H](C)N(c3nc4ccc(F)cc4o3)[C@H]2C1 1888847417 CKFVCPFXLVKIOX-CHIMOYNISA-N 303.337 2.412 0 40 DEAB O=C(N[C@H]1CCCN(c2ncccc2Br)C1)C1CC1 1888849408 LQBRVTYJIHKGRJ-NSHDSACASA-N 324.222 2.339 0 40 DEAB Cn1cccc1C(=O)N1C[C@@H](c2ncon2)[C@H](c2ccccc2)C1 238921049 TWROWSBNLXXHLW-LSDHHAIUSA-N 322.368 2.432 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(CN)CC1 36296749 UAXSMXNBJPERKL-UHFFFAOYSA-N 302.827 2.008 0 40 DEAB O=c1ccc(C2CC2)nn1C1CCN(Cc2cccnc2)CC1 1775966066 RBHJXDXAGZVYCU-UHFFFAOYSA-N 310.401 2.353 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CC(Oc2nccs2)C1 206921159 SUXQAAZVTWPUCP-UHFFFAOYSA-N 316.342 2.030 0 40 DEAB Cc1csc(C(=O)NCc2nc(-c3cc(C)on3)no2)c1 575615375 DNAVEGAONUULHN-UHFFFAOYSA-N 304.331 2.333 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCCCc1ccccc1 585149542 FHUYPKFXWPUHOJ-GJZGRUSLSA-N 302.418 2.144 0 40 DEAB CCCNC(=O)CSc1nnc2c(n1)[nH]c1ccc(F)cc12 4861472 VOUNYOWAKJVQPB-UHFFFAOYSA-N 319.365 2.264 0 40 DEAB O=C(NCC[C@H](O)c1cccs1)[C@@H]1COc2ccccc2O1 77113727 MGOKKIZDJYVJFM-FZMZJTMJSA-N 319.382 2.128 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)c1cncc(Br)c1)C(=O)O 20480855 OQVNJVSIPVUOLL-XCBNKYQSSA-N 315.167 2.073 0 40 DEAB NC(=O)C1CCN(C[C@H](O)c2cc(Cl)ccc2Cl)CC1 51090124 REQIGKKYKKVSNY-ZDUSSCGKSA-N 317.216 2.224 0 40 DEAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)N[C@@H](CC)CO 11566187 HTJQAPZFYXCOEA-JTQLQIEISA-N 321.826 2.096 0 40 DEAB Cn1c(C(=O)N2CCC[C@H](C(=O)O)C2)cc(Cl)c1Cl 36974527 VMDJIYXNRQVRIT-ZETCQYMHSA-N 305.161 2.269 0 40 DEAB COc1ccc(CNC(=O)C(=O)Nc2cccc3[nH]ccc23)cc1 32103363 DTNGYMOICJNUNQ-UHFFFAOYSA-N 323.352 2.431 0 40 DEAB CCOC(=O)c1csc(-n2nc(C(F)(F)F)cc2O)n1 101310316 KCDLNXPIHXOOSE-UHFFFAOYSA-N 307.253 2.230 0 40 DEAB COC(=O)CC(=O)c1ccccc1I 2575878 LGFREBKLHSCRQF-UHFFFAOYSA-N 304.083 2.037 0 40 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257338511 YXUAWIYMPQUPBC-AEFFLSMTSA-N 302.418 2.371 0 40 DEAB O=C(O)[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 263219515 QJUBSGNKWNUJOK-ZBFHGGJFSA-N 309.406 2.295 0 40 DEAB CCn1cc(CN2CCC[C@@]3(CCC(=O)N3CCF)CC2)cn1 585100227 ICFKJHSSNUREFK-QGZVFWFLSA-N 322.428 2.220 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@]3(CCN(C)C3=O)C2)cc1 585101045 ZDSQBJSFSSHWRG-SFHVURJKSA-N 300.402 2.008 0 40 DEAB O=C(Nc1cn[nH]c1)c1nc(N2CCCCC2)ncc1Cl 48250388 AQIMAFPRBZJESJ-UHFFFAOYSA-N 306.757 2.096 0 40 DEAB C[C@H]1c2ccsc2CCN1CC(=O)NC(=O)NC1CCCC1 57389711 OOKAWLHTUNAPPR-NSHDSACASA-N 321.446 2.436 0 40 DEAB CO[C@@H](C)C(=O)Nc1cc(C)c(NC(=O)[C@H](C)OC)cc1C 77568467 WVYMXEQAFJSZLK-RYUDHWBXSA-N 308.378 2.250 0 40 DEAB NC(=O)C1(NC(=O)[C@H]2C[C@]23CCCc2ccccc23)CCCC1 98015809 NMKIIIFXWPSEBZ-QAPCUYQASA-N 312.413 2.195 0 40 DEAB C[C@H](CNC(=O)COC(=O)c1ccc(O)cc1)c1ccccc1 5693855 FPQDKFQIBGCMHG-CYBMUJFWSA-N 313.353 2.469 0 40 DEAB COc1ccccc1C(=O)N1C[C@H](C(=O)O)Oc2ccccc21 13434657 UAYNVUCPEVHAMF-OAHLLOKOSA-N 313.309 2.188 0 40 DEAB Cc1ccc(C)c(NC(=O)Cn2nnc(-c3cccc(N)c3)n2)c1 13997804 MSJAZGAWPYBSMD-UHFFFAOYSA-N 322.372 2.178 0 40 DEAB CC(C)[C@H]1NC(=O)N(CC(=O)N(c2ccccc2)C(C)C)C1=O 14673562 IAUIDQRQVMYVKO-OAHLLOKOSA-N 317.389 2.004 0 40 DEAB CCc1nccn1C[C@H](C)C(=O)N[C@H](C)CN1CCCCCC1 19523584 UFQKDAYYYGGMRY-JKSUJKDBSA-N 320.481 2.462 0 40 DEAB COc1ccc(O[C@H](C)C(=O)NCCC2CCN(C)CC2)cc1 156398123 DSYLSCMXZNSEAV-CQSZACIVSA-N 320.433 2.311 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888869910 AUVXOWFAWSINKG-ZIAGYGMSSA-N 320.383 2.450 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)c1cccc(F)c1 22480556 GRKMVFVITKQMFO-UHFFFAOYSA-N 303.289 2.363 0 40 DEAB O=C(Nc1cccnc1-n1cccn1)c1cccc2cn[nH]c12 25011986 DYTFSIGKJYWIQF-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB C[C@@H]1c2cccn2CCN1C(=O)CCNC(=O)OC(C)(C)C 30798181 ZSOOGVGWRCOJLT-GFCCVEGCSA-N 307.394 2.306 0 40 DEAB Cc1ccc(-c2cc(N)n([C@H]3CCS(=O)(=O)C3)n2)c(C)c1 37352672 IJTUJCGDYHGWBR-LBPRGKRZSA-N 305.403 2.109 0 40 DEAB CC(C)N1CCCC[C@]2(CN(Cc3ccccn3)CCO2)C1=O 2037980840 JWFLUAHAGROTSI-SFHVURJKSA-N 317.433 2.074 0 40 DEAB CC(C)C(=O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccncc1 51617 SEDXWEQSGSIRRB-LBPRGKRZSA-N 301.268 2.033 0 40 DEAB CN1CCO[C@]2(CCCN(C(=O)/C=C/c3cccs3)CC2)C1 2055785086 BJUAQUIJBOTGRS-RTRPANQVSA-N 320.458 2.475 0 40 DEAB Cc1ccccc1-c1nnn(CCn2c(=O)oc3ccccc32)n1 26005785 BJOQUPVJUKVOKP-UHFFFAOYSA-N 321.340 2.257 0 40 DEAB C[C@]12C[C@H](c3ccccc3O1)[C@@H](C(=O)N1CCCCC1)C(=O)N2 1321898 LXRVJTYVYXVCNN-DDUZABMNSA-N 314.385 2.027 0 40 DEAB biogenic CC[C@@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CCO1 30848216 WXBXALMBTSHTIN-OAHLLOKOSA-N 314.389 2.135 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)N1CCO[C@@H](C)C1 40477924 GOMIWFNHKLWNLX-LBPRGKRZSA-N 319.430 2.147 0 40 DEAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(N)s1)C2 40488432 VCCMUAKEMXLWLW-JTQLQIEISA-N 323.399 2.037 0 40 DEAB COc1ccc(OC)c2c1CN(C(=O)NCCC(C)C)C[C@H]2O 40477787 DAWAJVWGLIXURW-CYBMUJFWSA-N 322.405 2.309 0 40 DEAB CC(=O)Nc1nc(C(=O)N2CCc3ccccc3C2)cs1 31780136 QZUJGXFQYXYEFG-UHFFFAOYSA-N 301.371 2.300 0 40 DEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 28924384 MWYAJZGWIHNEMH-QGZVFWFLSA-N 309.369 2.023 0 40 DEAB O=C(NCCc1ccccc1)C(=O)Nc1ccc2cc[nH]c2c1 32096815 UCMBHSMGLZKISB-UHFFFAOYSA-N 307.353 2.465 0 40 DEAB CCn1c(COc2ccccc2C)nnc1SCC(=O)NC 417943 JJRQMRMIBFKPEC-UHFFFAOYSA-N 320.418 2.024 0 40 DEAB Cc1noc(C)c1CN(C)C[C@H](O)COCc1cccs1 69150539 QBUOXFKYGMGUOS-ZDUSSCGKSA-N 310.419 2.362 0 40 DEAB O[C@H](CNc1nccc(-n2cccn2)n1)c1ccc(F)c(F)c1 69669358 UNZFABYKVBXSCE-CYBMUJFWSA-N 317.299 2.086 0 40 DEAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1cccnc1 248300 FJTDJNASEIJSFI-MRXNPFEDSA-N 317.433 2.419 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCCN2Cc2nc(C3CC3)no2)n1 69624271 PTXXOBXALPEPDJ-AWEZNQCLSA-N 316.409 2.210 0 40 DEAB O=C1[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)N1SC(Cl)(Cl)Cl 1568299 HKXYLBOULKWTCY-FBXFSONDSA-N 316.593 2.125 0 40 DEAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6742242 KUYZAYUAAQGKMW-KXNHARMFSA-N 313.712 2.296 0 40 DEAB COC(=O)[C@H](C)OC(=O)c1cc2cnn(C(C)C)c2nc1C 32865265 UVXNRFYLOBCDCM-JTQLQIEISA-N 305.334 2.039 0 40 DEAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(N)s1 21612884 BEMKYRWJWWQQIB-IUCAKERBSA-N 300.453 2.392 0 40 DEAB COC(=O)[C@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1 491086 JOPLXLADHGSXTL-OAHLLOKOSA-N 305.374 2.499 0 40 DEAB biogenic CN(C)Cc1ccccc1CNC(=O)c1cccnc1S 10086169 WOTFGAPORYBNBQ-UHFFFAOYSA-N 301.415 2.362 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c[nH]1 21795225 OMGVKGXTGVSURB-UHFFFAOYSA-N 306.343 2.002 0 40 DEAB CCOC(=O)CNC(=O)CCCOc1ccc(Cl)cc1C 2742065 HRFRWWOEBMNWDZ-UHFFFAOYSA-N 313.781 2.487 0 40 DEAB Cc1cc(C)n(CCCNC(=O)COc2cccc(F)c2)n1 23246355 HTAORHDUYAJYIN-UHFFFAOYSA-N 305.353 2.224 0 40 DEAB O=C(CCc1ccsc1)NCCc1nnc2ccccn12 24153630 BUSOTKCVLFJHES-UHFFFAOYSA-N 300.387 2.082 0 40 DEAB Cc1cc(C)cc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)c1 8340529 REOCDIDAKJTBFZ-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB COC(=O)Nc1ccc(NC(=O)N(C)Cc2cnn(C)c2)cc1 47584100 FRUNSHPETONUOV-UHFFFAOYSA-N 317.349 2.262 0 40 DEAB Cc1cccc(OCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 59520216 MPPZAGPFYILTEA-CABCVRRESA-N 305.374 2.381 0 40 DEAB O=C(NCC(=O)N1CCc2sccc2C1)NC1CCCCC1 56317351 SKQGEAAFOCLPHD-UHFFFAOYSA-N 321.446 2.265 0 40 DEAB Cc1cc(C)nc(N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)n1 107519504 NMJDYGIIJIWUTD-MSOLQXFVSA-N 324.428 2.183 0 40 DEAB CCCNC(=O)[C@H](CCSC)NC(=O)c1cccc(C)c1 21045229 GWWOERGOHVGROC-AWEZNQCLSA-N 308.447 2.373 0 40 DEAB COCc1cccc(CNC[C@H]2CNc3cc(C)nn3C2)c1 58294416 VZMUBXFNRDNOJW-INIZCTEOSA-N 300.406 2.169 0 40 DEAB O=c1onc(-c2ccccn2)n1Cc1cccc2cccnc12 58342222 JZCSQMWDAUCGHD-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB COc1ccccc1OC(=O)[C@H]1CCCN(c2cnccn2)C1 45262987 UZCAKNZZCAXQFP-ZDUSSCGKSA-N 313.357 2.307 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCCCn1cncn1 48188288 LBJZQBJJJSESKZ-CYBMUJFWSA-N 317.393 2.046 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H](O)c1cccc(Cl)c1 48333251 FUVWVJCQUZJNFZ-AWEZNQCLSA-N 308.765 2.337 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc2cccnc12 12976578 VKOJUCFRAHRMMY-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB C[C@@H](NC[C@H]1CN(C)CCO1)c1ccccc1Br 69527498 MNAVEJXPXJQNNX-NEPJUHHUSA-N 313.239 2.430 0 40 DEAB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccsc1)n2CC 8778569 APXNCRWMKJUMBL-UHFFFAOYSA-N 318.402 2.435 0 40 DEAB Cc1cnc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cn1 6348938 JCYGJGVZKPWTGG-CYZMBNFOSA-N 305.378 2.025 0 40 DEAB CCC(=O)N[C@@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1 65475191 OZPLQRUMFVYGDG-CYBMUJFWSA-N 305.378 2.218 0 40 DEAB COc1cccc(N2CC[C@@H](CNC(=O)N3CCCC3)C2)c1 65589905 GBEUXESHHAMVBA-AWEZNQCLSA-N 303.406 2.327 0 40 DEAB CC(=O)c1c(C)n(CC(=O)NC[C@@H]2CCCO2)c2ccccc12 14136288 RLRYEYHWSOLQJH-AWEZNQCLSA-N 314.385 2.448 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2C)c1C 5700695 MHXMUCFSPHYNNO-BKDNQFJXSA-N 307.346 2.189 0 40 DEAB COCc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)o1 93133865 CQAQDCJMJYOKNG-CYBMUJFWSA-N 316.405 2.343 0 40 DEAB Cc1ccc(N2C[C@H](C(=O)Nc3ncccn3)CC2=O)cc1C 4998922 DOTIMBDHMVDXJU-CYBMUJFWSA-N 310.357 2.085 0 40 DEAB Nc1ncccc1C(=O)N1CCN(c2ccccc2Cl)CC1 67292106 QGHBULBCCDQEOB-UHFFFAOYSA-N 316.792 2.280 0 40 DEAB CCOC(=O)c1cnc2c(C)ccc(F)c2c1N1CCNCC1 64874856 WJBRNSRPTDDVIC-UHFFFAOYSA-N 317.364 2.269 0 40 DEAB CCC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7305319 VPYJNUVXIFDCPR-CYBMUJFWSA-N 324.446 2.390 0 40 DEAB CN(Cc1ccccc1F)CN1C(=O)C[C@@]2(CCSC2)C1=O 71795897 LKJHRXXXCJZYKP-MRXNPFEDSA-N 322.405 2.097 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cccc(C(N)=O)c1 71876703 SIYDTFCWZHCLAG-INIZCTEOSA-N 312.417 2.473 0 40 DEAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 71875089 XQIGLKIULOGSRQ-HUUCEWRRSA-N 304.438 2.264 0 40 DEAB C[C@@H](C(=O)N1CCC[C@H]1Cc1cccc(F)c1)N1CCOCC1 71874837 NJEOJBAESTUDGK-YOEHRIQHSA-N 320.408 2.080 0 40 DEAB C[C@@H]1CN(S(=O)(=O)NC2CCCCCCC2)C[C@@H](C)O1 71826185 UCZBEGISZZFBLU-CHWSQXEVSA-N 304.456 2.043 0 40 DEAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)CC(=O)OC)cc1 71853843 VDFXVBMWDVZDIM-CYBMUJFWSA-N 306.406 2.210 0 40 DEAB Cc1cc(CN2CCN(Cc3ccccc3N(C)C)CC2)no1 71921536 ZIVKNICRNRSYPE-UHFFFAOYSA-N 314.433 2.367 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ccc3c(N)n[nH]c3c2)CC1 72233713 PPYKTNORLZQGMD-UHFFFAOYSA-N 317.393 2.202 0 40 DEAB Cc1cc(NC(=O)CN[C@H](C)[C@H]2COc3ccccc32)no1 97112662 IHWDAQDQJIKVRX-DGCLKSJQSA-N 301.346 2.076 0 40 DEAB O=C(Cc1cccnc1)OC1CCN(CC(F)(F)F)CC1 84422184 LYHKPBOFAXUSRF-UHFFFAOYSA-N 302.296 2.194 0 40 DEAB C[C@H](NC(=O)NCCCc1ccc(O)cc1)c1cnn(C)c1 84667523 PXIBFTYUQKPNAX-LBPRGKRZSA-N 302.378 2.119 0 40 DEAB CNS(=O)(=O)c1cc(C(=O)N2CCCCCC2)cc(C)c1C 9591443 DJIDCUPWRQCKOL-UHFFFAOYSA-N 324.446 2.228 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N[C@H]1C[C@@H]1C1CCCCC1 95409958 XMTVWMAVUQGUKA-KGLIPLIRSA-N 317.437 2.035 0 40 DEAB CC(C)[C@@H](CO)NC(=O)NCc1sccc1Br 78918158 CNCIDGSDNANFFK-SECBINFHSA-N 321.240 2.327 0 40 DEAB O=C(NCc1ccc(-n2cncn2)cc1)N1C[C@H]2CC=CC[C@@H]2C1 73779578 QQDWCUJDDYFRLK-HZPDHXFCSA-N 323.400 2.375 0 40 DEAB CC[C@@H]1CN(C(=O)[C@@H]2COCCO2)CC[C@H]1c1ccccc1 74283857 RKVXYRLVLADFGK-OIISXLGYSA-N 303.402 2.444 0 40 DEAB CCN1CCN([C@H](C)C(=O)Nc2ccc(F)c(Cl)c2)CC1 22585888 GLQDSWPMXLHESX-LLVKDONJSA-N 313.804 2.444 0 40 DEAB CCCN1C(=O)N/C(=C/c2ccc(OC)c(OC)c2OC)C1=O 409241852 OZBKIEIOXRJSLO-PKNBQFBNSA-N 320.345 2.015 0 40 DEAB CCOC(CN[C@@H](CNC(=O)OC(C)(C)C)C1CC1)OCC 521393960 BSLVLQHYXRZLMQ-ZDUSSCGKSA-N 316.442 2.278 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)Cn2ccccc2=O)n(C)n1 74286487 KIUVGKATXDUOMM-UHFFFAOYSA-N 322.368 2.196 0 40 DEAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]21 4320394 LLBBWARKCUMGMJ-KKBVYLPWSA-N 318.332 2.041 0 40 DEAB Cc1c(N)cc(-c2nn3c(C(F)(F)F)nnc3s2)cc1N 73634271 FWHMHDCFHWIJNF-UHFFFAOYSA-N 314.296 2.344 0 40 DEAB C[C@](O)(CNS(=O)(=O)CCc1ccccc1)c1ccccc1 70961221 OYFXOOTXKCOFOI-KRWDZBQOSA-N 319.426 2.056 0 40 DEAB CN(C)CCOc1nc2c3c4c(sc3ncn2n1)CCCC4 31814958 SBWNSAZSXIRUNP-UHFFFAOYSA-N 317.418 2.158 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)[C@@H](C)n3cccn3)c2c1 79051000 OMFSEICZTWORDU-GFCCVEGCSA-N 312.373 2.293 0 40 DEAB Cn1ncc2c(NCCCSc3ccccn3)ncnc21 521398650 WMWKJAHVISYTKO-UHFFFAOYSA-N 300.391 2.353 0 40 DEAB O=C(Cn1cnc2c(c1=O)CCCC2)Nc1ccc(F)cc1F 49404541 FUVARRIDRMOKQA-UHFFFAOYSA-N 319.311 2.039 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2CO1)c1ccc2c(c1)OCO2 225784752 WGSKDLMKQATVKB-HNNXBMFYSA-N 311.337 2.287 0 40 DEAB O=C(O)CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 43584792 UPYPCIAUEZSGNN-LLVKDONJSA-N 315.366 2.091 0 40 DEAB C[C@]1(C(=O)NCc2ccco2)Oc2ccc(Cl)cc2NC1=O 41549793 QGGDMVZMOWQSPH-OAHLLOKOSA-N 320.732 2.339 0 40 DEAB O=C(O)c1cc(C(=O)N[C@H]2CC=CCC2)n(-c2ccccc2)n1 195541645 OVXIALMATPKHMS-LBPRGKRZSA-N 311.341 2.409 0 40 DEAB CCNC(=O)CCc1ncc(-c2ccc(OC)cc2OC)o1 224864524 IEVMOJRWZJRDSI-UHFFFAOYSA-N 304.346 2.428 0 40 DEAB O=C(OC[C@H]1CCCO1)c1ccc(=O)n(-c2ccc(F)cc2)c1 83687697 HXJPFTXSARNOQB-OAHLLOKOSA-N 317.316 2.312 0 40 DEAB Cc1noc([C@H]2C[C@H]3CN(Cc4c(C)noc4C)CC[C@@H]3O2)n1 96070537 PWHXSKXDCQXAFG-AEGPPILISA-N 318.377 2.335 0 40 DEAB COC[C@@H]1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CC3)c21 96198385 HUMKUNJJRWJXES-INIZCTEOSA-N 315.417 2.476 0 40 DEAB CCOC[C@H]1CN(c2ccc(C)nn2)Cc2cnn(CC)c21 96044728 PMHURTRWVSJFOO-CQSZACIVSA-N 301.394 2.142 0 40 DEAB CCOc1cccc(CCNC(=O)c2ccc3[nH]cnc3c2)n1 96474073 CMPYXSGMBWTVEW-UHFFFAOYSA-N 310.357 2.329 0 40 DEAB C[C@H]1[C@@H](C)SCCN1C(=O)C1CCN(c2cnccn2)CC1 96411140 WGDQMJBUGOVLAI-QWHCGFSZSA-N 320.462 2.045 0 40 DEAB Cn1ccc2ccc(C(=O)NCCc3nnc4ccccn34)cc21 95473012 PIDQUHXIQXQPCW-UHFFFAOYSA-N 319.368 2.194 0 40 DEAB CCCC[C@@H](NC(=O)NCc1nnc2n1CCC2)C1CCC1 96461912 SHDWCKASNWPOKK-CYBMUJFWSA-N 305.426 2.382 0 40 DEAB CCCn1nc(C)c(C(=O)OCc2cccc(C(N)=O)c2)c1C 95414151 XHUKCZGPONIJBL-UHFFFAOYSA-N 315.373 2.366 0 40 DEAB CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccsc3)C2)O1 96052279 NOVMIMVTLUHJPV-HOTGVXAUSA-N 310.463 2.060 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)CC1CC1)[C@H]2C 96201229 XFUNRHNJMMHCQV-ZDUSSCGKSA-N 304.438 2.427 0 40 DEAB Cc1cccc(N2CCN(CCOC[C@H]3CCCO3)[C@H](C)C2)n1 248122275 VSIAKRANLXHSTH-IAGOWNOFSA-N 319.449 2.096 0 40 DEAB CO[C@H]1CCN(C(=O)/C=C/c2ccccc2)C[C@@]12CCCO2 257255934 KJLTYRZHDOJPIA-LFGVRAQPSA-N 301.386 2.496 0 40 DEAB CCCN1CCN(C(=O)c2cc([C@@H]3CCCN3C)ccn2)CC1 257257201 KONCCMSVUMRTNG-KRWDZBQOSA-N 316.449 2.016 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 257339511 ZCAPKHWUZBSGQX-OAHLLOKOSA-N 324.388 2.217 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cnn2cccnc12 257328848 XHJAAOJPKKDTKG-CYBMUJFWSA-N 310.361 2.128 0 40 DEAB CC[C@H]1CN(C(=O)c2c[nH]c(C)n2)CCN1Cc1ccccc1 273840795 GVYXQCGRXFJLLM-INIZCTEOSA-N 312.417 2.455 0 40 DEAB CCN1CC2(CCC1=O)CCN(C(=O)Cc1ccccc1)CC2 585102319 ZOOKWXGZFSKDAF-UHFFFAOYSA-N 314.429 2.480 0 40 DEAB C[C@H]1CN(C(=O)CCCc2nc(C(C)(C)C)no2)[C@@H](C)CO1 41825082 VIVKQDNSLCYNFP-RYUDHWBXSA-N 309.410 2.326 0 40 DEAB COc1ncccc1C(=O)N1CCN(C2CCCCC2)CC1 44442819 VYDIMJFBKHIGPO-UHFFFAOYSA-N 303.406 2.181 0 40 DEAB CC[C@@H]1CCCCN1C(=O)c1nn(CC(F)(F)F)cc1N 685936168 IRHRZFJGZYUZMV-SECBINFHSA-N 304.316 2.432 0 40 DEAB Cc1cc(NC(=O)C(=O)Nc2ccc3oc(C)nc3c2)no1 56255648 RNMWUGAFVZKSBC-UHFFFAOYSA-N 300.274 2.010 0 40 DEAB O=C(CSc1ccc(-n2cccn2)nn1)NC1CCCCC1 70635165 DMTFWJQRPUGGNX-UHFFFAOYSA-N 317.418 2.203 0 40 DEAB CCNC(=O)NCCn1nc(C(F)(F)F)c2c1CCCC2 96121576 TVBQJSGRUPGUSE-UHFFFAOYSA-N 304.316 2.100 0 40 DEAB C[C@H]1COC[C@@H](C)N1C(=O)C[C@H]1Sc2ccccc2NC1=O 77138937 KSUCCAXXNJIYBS-UHIISALHSA-N 320.414 2.125 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1Cc1cc(C(F)(F)F)ccc1F 92042211 QBPXLSRUMKHOHI-JOYOIKCWSA-N 307.287 2.426 0 40 DEAB O[C@]1(c2ccc(F)cc2)CC[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 19332854 KCPSQJOHUBGOAU-DACLVMHWSA-N 305.393 2.392 0 40 DEAB Cc1c(-n2cc[nH]c(=O)c2=O)ccc(Br)c1Cl 1888918295 WLNLHHAVBGODES-UHFFFAOYSA-N 315.554 2.250 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)NCc1ccc(F)cc1 14302528 LNZXHQXUNWWCSA-IUODEOHRSA-N 321.396 2.320 0 40 DEAB NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(F)c2)cc1 19170306 FXYDJPFIXOYVJR-UHFFFAOYSA-N 322.361 2.044 0 40 DEAB O=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@@H]1C2 169310440 QQLOJIMQTXJLTF-VUVWGQCBSA-N 304.434 2.091 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCOC[C@@H]1c1cccn1C 163985024 BQBGQLOENKPLHX-IAQYHMDHSA-N 317.389 2.334 0 40 DEAB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ccncn2)C3)n1 1888860329 YUDLGUFNINZXFA-RHSMWYFYSA-N 311.389 2.261 0 40 DEAB 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Oc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)nn1 4632272 VSCNNWCWTXAHMK-UHFFFAOYSA-N 324.369 2.380 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 7564919 OSPWHVHSJRETJQ-UHFFFAOYSA-N 317.366 2.225 0 40 DEAB CN(Cc1cccs1)C(=O)CN1CCC[C@@H]1Cn1cccn1 69776940 LHNHYUGKWVKTEO-CQSZACIVSA-N 318.446 2.068 0 40 DEAB C[C@@]12CC[C@H](C[C@@H]1C(=O)O)[C@]1(C2)NC(=O)c2ccccc2N1 100116287 AZPLWPZLMZHDCB-GGXARLRHSA-N 300.358 2.449 0 40 DEAB C[C@H]1CN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C[C@H](C)O1 21821967 WSBSNYYRXSTKLR-UWVGGRQHSA-N 319.430 2.083 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3ccsc3)CC2)n1C 53177426 CPZMJECFYUOGTH-UHFFFAOYSA-N 303.431 2.353 0 40 DEAB CN1C(=O)N(CC(=O)OC2CCCCC2)C(=O)C12CCCCC2 60636505 BKAZBHMBFZVCGL-UHFFFAOYSA-N 322.405 2.459 0 40 DEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 2742350 GLMRUNBCQBTUSU-SECBINFHSA-N 319.188 2.124 0 40 DEAB COc1ccc(CC(=O)NCCCn2nc(C)cc2C)cc1 22412498 JFWLEHFKGSPYGA-UHFFFAOYSA-N 301.390 2.258 0 40 DEAB O=C(NCCc1cccs1)[C@@H]1CCCN(C(=O)C2CC2)C1 42381281 RUPSPXTVQDNOMA-CYBMUJFWSA-N 306.431 2.055 0 40 DEAB CC(=O)N1CCCN(C(=O)C2(c3cccc(F)c3)CCC2)CC1 42689274 GVMYMZHEWHEAGK-UHFFFAOYSA-N 318.392 2.328 0 40 DEAB Cc1cc(OCC(=O)N(C)CC(N)=O)c(C(C)C)cc1Cl 46979489 UNBZXJPDAJCPBT-UHFFFAOYSA-N 312.797 2.094 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)Cc2c(C)noc2Cl)no1 76046584 MHQWSTWWNMRZHI-JTQLQIEISA-N 324.768 2.488 0 40 DEAB CSc1nc2n(n1)[C@@H](c1ccccc1F)C=C(C(=O)O)N2 102334260 YZKDJGSGDXFESW-SNVBAGLBSA-N 306.322 2.123 0 40 DEAB Cc1nc(NC(=O)c2ccoc2)sc1-c1nnc(S)n1C 24828439 KDIXBXSKEJBHBK-UHFFFAOYSA-N 321.387 2.381 0 40 DEAB COC(=O)c1cccc(NC(=O)COC(=O)[C@@H]2CC=CCC2)c1 24848245 JEEVNJRQEIBVTH-GFCCVEGCSA-N 317.341 2.311 0 40 DEAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@H]1[C@@H]3C[C@H](O)C[C@@]3(CO)CC[C@@H]12 118930957 FPYNHDLWTDIYCP-IPHFWHQZSA-N 320.429 2.111 0 40 DEAB Clc1ccc(SCCNCCN2CCOCC2)cc1 22385713 KTHUAXUPBGLEOF-UHFFFAOYSA-N 300.855 2.354 0 40 DEAB CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 55822101 QPRJYMXCLWCLLC-HNNXBMFYSA-N 307.415 2.204 0 40 DEAB 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YXNSMBSVYLOBSB-HUUCEWRRSA-N 305.422 2.207 0 40 DEAB CCN(CC(=O)O)C(=O)c1cccc(Br)c1C 88440257 IMXVWMJOXMDYBS-UHFFFAOYSA-N 300.152 2.304 0 40 DEAB Cc1cccnc1CNC(=O)NCc1nccn1CC(C)C 74106964 MBWTYCBWRCHIJK-UHFFFAOYSA-N 301.394 2.242 0 40 DEAB CCN(CC)C1CCN(C(=O)NCc2c(C)noc2C)CC1 95955263 CLKNFXKSMVSSER-UHFFFAOYSA-N 308.426 2.307 0 40 DEAB CCOc1ccc(NC(=O)c2ccn3ccnc3c2)cc1CO 95977739 PFHPPCURGYFETA-UHFFFAOYSA-N 311.341 2.478 0 40 DEAB CN1CC[C@H](CN(C)C(=O)Cc2cccc(OC(F)F)c2)C1 75134317 NNWWXEFICJDJEH-ZDUSSCGKSA-N 312.360 2.241 0 40 DEAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCCc3ccco3)cc2C1 61719786 JRDFIVBZLZNXFR-GFCCVEGCSA-N 314.385 2.455 0 40 DEAB Cc1cc(NS(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cnc1O 517017112 WENXABHAANTYCA-UONOGXRCSA-N 304.371 2.393 0 40 DEAB CC(C)N(C[C@H]1CCCCN1Cc1ccccc1)C(=O)CN 79404270 YNOIEABWRWTEAQ-QGZVFWFLSA-N 303.450 2.237 0 40 DEAB O=CN1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 74961153 FEEBJMJOWDKZGD-UHFFFAOYSA-N 308.381 2.197 0 40 DEAB CCn1cnnc1CNC(=O)N[C@@H](C)Cc1ccccc1Cl 41369734 MJGSXJUGAHBVBV-NSHDSACASA-N 321.812 2.382 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@]1(O)CCCc2occc21 1565522988 WSIOWGFBPDBLEA-GOSISDBHSA-N 315.369 2.307 0 40 DEAB O=C(NC1CCOCC1)c1ccccc1OC[C@@H]1CCCO1 79022632 YAHWVKCUSSFEJD-AWEZNQCLSA-N 305.374 2.153 0 40 DEAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ncccc2F)cc1 180263803 MMJCMRMNNMUSBS-UHFFFAOYSA-N 324.333 2.198 0 40 DEAB COc1ccc(CCC(=O)NCc2ccncc2)cc1OC 44946063 BWLRJQXRLCJNBL-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB Cc1nc2ccc(N3CCC[C@H](c4nccs4)C3)nn2n1 225539348 DSETXAWEPHDUBG-NSHDSACASA-N 300.391 2.273 0 40 DEAB Cc1ccc(N2CCC3(CC2)CCN3C(=O)c2ccco2)nn1 96078019 JDRHSEMMXGAEIO-UHFFFAOYSA-N 312.373 2.263 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc2ccccc2n1 96041404 WPJVILNMEPVMJN-GVDBMIGSSA-N 312.369 2.253 0 40 DEAB O=C(NC1CCC1)C1=NO[C@]2(CCN(Cc3ccccc3)C2)C1 96225559 OVOOTYKUASIWGP-GOSISDBHSA-N 313.401 2.076 0 40 DEAB O=C(c1n[nH]c2c1CCN(Cc1ccsc1)C2)N1CCCC1 96187442 JEHRDAPECKWUPI-UHFFFAOYSA-N 316.430 2.266 0 40 DEAB Cc1cccc(CN2CC[C@@H]3[C@H]2CC(=O)N3Cc2ccncc2)n1 247865186 ILKTXEXVGGOCBI-QZTJIDSGSA-N 322.412 2.160 0 40 DEAB CCOC(=O)c1cc(NC(=O)N2CCOCC2)c(F)cc1C 252495586 OTYYPXGCYLSRQP-UHFFFAOYSA-N 310.325 2.175 0 40 DEAB CCOC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccsc3)[C@H]2C1 253383533 LWSSQWMXPYPDBK-KKUMJFAQSA-N 309.431 2.333 0 40 DEAB CN(Cc1cc2c(cc1OC(F)F)OCO2)c1ncccn1 266290439 WIQFFCPBDWFTHL-UHFFFAOYSA-N 309.272 2.443 0 40 DEAB C[C@H]1C[C@H](C(=O)N(CC(=O)O)Cc2ccc(F)cc2)CCO1 262998366 QXAVMZYZGVKNEW-WCQYABFASA-N 309.337 2.054 0 40 DEAB O=C(NCc1cccs1)N1CCC[C@@H](Oc2ccncn2)C1 575605184 NOOWLRKODMEMGG-GFCCVEGCSA-N 318.402 2.291 0 40 DEAB Cc1cc(C(=O)NCc2cncc(N3CCCC3=O)c2)c(C)o1 585150375 SIZLQFDQQIRVCP-UHFFFAOYSA-N 313.357 2.348 0 40 DEAB O=C(C1CC(F)(F)C1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 585108131 VWLDVXDNHRXKJB-LSDHHAIUSA-N 321.371 2.302 0 40 DEAB O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@H]1CCS(=O)(=O)C1 46690800 BMUXPXLZCYGGOG-HOTGVXAUSA-N 321.442 2.469 0 40 DEAB Cc1cnc(-c2cccc(NS(=O)(=O)c3cn[nH]c3)c2)o1 66814555 CXRSDENODMVCBP-UHFFFAOYSA-N 304.331 2.174 0 40 DEAB C[C@@H](Sc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)[nH]1 71905434 MZFQBKDOUJTZLJ-MRVPVSSYSA-N 324.369 2.443 0 40 DEAB Cn1ncnc1CCNC(=O)NC(C1CCCC1)C1CCCC1 79069677 ZAUFOVXSRQMVLR-UHFFFAOYSA-N 319.453 2.406 0 40 DEAB CN(C)c1ccnc(N2CCN(Cc3cccc(F)c3)CC2)n1 301757291 LGFWTPFIUZEJTG-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB CN(C[C@H]1COCCO1)C(=O)C1(c2cccs2)CCCC1 85472997 GANCTSRQXRVDIU-ZDUSSCGKSA-N 309.431 2.434 0 40 DEAB CCOc1ccc(NC(=O)NCc2nnc(SC)n2C)cc1 5001674 AXGKYDYKTCDOBH-UHFFFAOYSA-N 321.406 2.257 0 40 DEAB COc1ccc(C2CCN(CC(=O)N3CCCC3)CC2)cc1 12113917 CFQCAHOTOAMCSN-UHFFFAOYSA-N 302.418 2.497 0 40 DEAB CCCc1cc(CNC(=O)c2cccc(-n3cnnc3)c2)on1 12148311 CUKPKKKCLMZXDF-UHFFFAOYSA-N 311.345 2.138 0 40 DEAB Cn1c(=O)oc2cc(NCc3ccc(OCCO)cc3)ccc21 12238367 MBDZPIZUEGGPRX-UHFFFAOYSA-N 314.341 2.115 0 40 DEAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2C(=O)O 13320362 NFGDPQAKJHWENP-SJXGUFTOSA-N 314.385 2.391 0 40 DEAB CC(C)(C)OC(=O)Nc1ccc(C(=O)CC(=O)C(=O)O)cc1 19850364 PTVWXTPWJDPCMJ-UHFFFAOYSA-N 307.302 2.260 0 40 DEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1ccccn1 31173941 SCYBPIJFNJYBNN-UHFFFAOYSA-N 319.311 2.461 0 40 DEAB COc1ccc(S(=O)(=O)Nc2cccc(CO)c2)cc1F 38003778 VZHDSGIVQINPCP-UHFFFAOYSA-N 311.334 2.127 0 40 DEAB CCn1ncc(Br)c1C(=O)Nc1nc(C)cc(C)n1 32611608 UVOUYUZOVUVHAW-UHFFFAOYSA-N 324.182 2.325 0 40 DEAB Nc1nonc1-c1noc(-c2ccc(Br)cc2)n1 60890 KXQAQLUVWKZZBJ-UHFFFAOYSA-N 308.095 2.131 0 40 DEAB CC(=O)c1cccc(OCC(=O)N2CC(=O)Nc3ccccc32)c1 7028994 GENSZUJUMHKAJN-UHFFFAOYSA-N 324.336 2.253 0 40 DEAB CC(C)N1CCC[C@@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 2055835329 ZFLGXGJNORDCGZ-MRXNPFEDSA-N 302.378 2.039 0 40 DEAB Cc1ccc(-c2cc(CNC(=O)c3ccc(O)nn3)no2)cc1 38752837 KZUINUXITPISRB-UHFFFAOYSA-N 310.313 2.076 0 40 DEAB CN1C[C@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)CC1=O 2298028268 XPTIRTAPOFPGFI-CYBMUJFWSA-N 322.836 2.102 0 40 DEAB Cn1cc([C@]2(C)CN(CCc3ccccc3F)CCO2)cn1 97095660 WODHCLXFRKWGQZ-KRWDZBQOSA-N 303.381 2.349 0 40 DEAB CN1CCC(NC(=O)c2csc(Br)c2)CC1 36324017 PQYGVHMMXXYJDI-UHFFFAOYSA-N 303.225 2.335 0 40 DEAB CCN1CCN(CC(=O)c2c(C)[nH]c3ccc(OC)cc23)CC1 20189442 CUAKFQCQBSAIDK-UHFFFAOYSA-N 315.417 2.305 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1nnc(C(C)C)s1)C1CCCC1 40476096 CZAZNYGZNKFKTJ-LLVKDONJSA-N 310.423 2.295 0 40 DEAB Cc1nc(Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)no1 31627718 JSBSCXNNNUYOIJ-MRVPVSSYSA-N 316.386 2.323 0 40 DEAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCCO1 40534194 NYTXIFUKOCUELD-HZPDHXFCSA-N 305.374 2.040 0 40 DEAB Cc1cc(C(=O)NCc2cccnc2OCC(F)(F)F)on1 40509958 PCZZWKHCCOUHCL-UHFFFAOYSA-N 315.251 2.249 0 40 DEAB CCN(CC(=O)Nc1cc(C)on1)Cc1ccc2c(c1)OCO2 11351497 DXYRSTRNEUMNQX-UHFFFAOYSA-N 317.345 2.172 0 40 DEAB C[C@H](Cc1ccc(Cl)cc1)NC(=O)N[C@H](C)c1nncn1C 45608974 YNUGDXBJDKKOQI-GHMZBOCLSA-N 321.812 2.460 0 40 DEAB Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)on1 29658384 OBSCFEZXHUVMHI-AWEZNQCLSA-N 319.336 2.134 0 40 DEAB C[C@@H](c1nc(C2CC2)no1)N1CCN(Cc2ccccn2)CC1 51506648 DLJMOQJVWFCJHX-ZDUSSCGKSA-N 313.405 2.221 0 40 DEAB O=C(NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)C1(O)CCSCC1 101877674 PLMFBNIAVVOSMC-ARFHVFGLSA-N 317.454 2.337 0 40 DEAB Cc1noc(C)c1CCC(=O)NCc1cccnc1N(C)C 32689456 IWFREFNLTGIJCI-UHFFFAOYSA-N 302.378 2.001 0 40 DEAB CCCc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)[nH]n1 32754696 IKYLLOZYCWBKSQ-KRWDZBQOSA-N 312.417 2.491 0 40 DEAB CCOC(=O)c1ccc(NC(=S)NCCN(CC)CC)cc1 2729338 LMRJFAQWNVYMDS-UHFFFAOYSA-N 323.462 2.492 0 40 DEAB O=C(NN1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1 102538125 HAQVDBINSBSGFB-VXGBXAGGSA-N 306.749 2.160 0 40 DEAB Nc1c(-c2nc3ccccc3[nH]2)c2nc3ccccc3nc2n1N 494135 SZMBENIFVQTTIR-UHFFFAOYSA-N 315.340 2.424 0 40 DEAB CC(=O)N(C)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 587161 UXOKAQULCAWEID-UHFFFAOYSA-N 317.370 2.389 0 40 DEAB CCCCS(=O)(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1 53645892 ULTLIKISUUHFLM-UHFFFAOYSA-N 324.446 2.141 0 40 DEAB O=C(O)CCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 54965124 BIKUNRXBFMTWOH-UHFFFAOYSA-N 319.792 2.485 0 40 DEAB CCOC(=O)[C@H]1CCCN([C@H](C)C(=O)NCc2cccs2)C1 103980524 PVCDTUDWWYONGC-OLZOCXBDSA-N 324.446 2.028 0 40 DEAB C[C@H]1CN(C(=O)c2cccnc2N2CCCCC2)C[C@H](C)O1 42181965 SZLRDQMJZJPQAM-KBPBESRZSA-N 303.406 2.321 0 40 DEAB Cc1c(NCC(=O)N(C)c2ccccc2)cccc1-n1cnnn1 22895300 ZMBHDNQAFVFAPB-UHFFFAOYSA-N 322.372 2.046 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)c1sc2nc(C)cc(C)c2c1C 25681553 OXZWMLZJLDLCRQ-NSHDSACASA-N 319.430 2.476 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1COc2ccc(Cl)cc2C1 42367772 CVXMWQHKMKNZRN-WCQYABFASA-N 319.792 2.293 0 40 DEAB O=C(CSc1ccc(C(F)(F)F)cn1)NC[C@@H]1CCCO1 12536432 BTEYNMBMROYLNB-JTQLQIEISA-N 320.336 2.488 0 40 DEAB COc1ccccc1[C@@H](NC(=O)[C@H](C)SC)c1nccn1C 42855613 WVBBCVZACIOOTI-SMDDNHRTSA-N 319.430 2.386 0 40 DEAB C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccco3)cc2)CCO1 24958432 IGMIHQFPSYHXIA-CQSZACIVSA-N 314.385 2.430 0 40 DEAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1c(C)noc1C 25181032 KIDOERDVNAYOTC-UHFFFAOYSA-N 300.314 2.281 0 40 DEAB CNC(=O)C1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 43727393 UFCWGVFXMQVFKB-NSHDSACASA-N 320.458 2.471 0 40 DEAB CC[C@@H]1CN(C(=O)N[C@H](C)COCC(F)(F)F)C[C@H](C)O1 110585445 GSNQIVLRNVUZQT-OUAUKWLOSA-N 312.332 2.163 0 40 DEAB CCN1CCC(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 57000500 WCYNOEQYWCMORN-MRXNPFEDSA-N 322.836 2.492 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccccc2C[S@@](C)=O)C[C@@H](C)O1 108473385 WOTBSWQJOIOOPG-ZSMADZGOSA-N 310.419 2.206 0 40 DEAB Cc1ccc([C@H](CNC(=O)CC(F)(F)F)N2CCOCC2)o1 44610421 VEQIGMVIFIAHTL-NSHDSACASA-N 320.311 2.030 0 40 DEAB O=C(NCCNc1ncccn1)c1cc2ccccc2cc1O 48010668 GSXBAOURENLNOB-UHFFFAOYSA-N 308.341 2.177 0 40 DEAB Cc1nnc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1C 44945245 IYGAQFMOEPADIU-CQSZACIVSA-N 314.389 2.232 0 40 DEAB Cc1ccc([C@@H](CNC[C@@H]2CNc3ccnn3C2)N(C)C)cc1 58304915 REPRLXGMSDSSGS-NVXWUHKLSA-N 313.449 2.126 0 40 DEAB CC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)CCO1 28036208 NHMXLYKHBHKHHV-HNNXBMFYSA-N 309.431 2.365 0 40 DEAB COC(=O)[C@@H](C)CN(C)C(=O)c1cc2ccccc2cc1O 58428237 QTXOLZPMKWSVHE-NSHDSACASA-N 301.342 2.427 0 40 DEAB NC(=O)[C@H](NCCc1cnn(-c2ccccc2)c1)c1ccccc1 36392647 NPZHSOXZIZKJBG-GOSISDBHSA-N 320.396 2.231 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)C1(c3ccccc3)CCC1)CC2 62640125 DOIPAHLQVHKMPX-OAHLLOKOSA-N 310.401 2.139 0 40 DEAB O=c1c(Cl)c(Cl)cnn1CN1CCO[C@@H]2CCCC[C@@H]21 48621682 VJCWIBYWKPRYEO-WDEREUQCSA-N 318.204 2.151 0 40 DEAB O=C1N/C(=C/c2ccccc2)C(=O)N2Cc3ccccc3C[C@@H]12 4082301 YDSGWHFNXFXULX-KGZWWPETSA-N 304.349 2.111 0 40 DEAB biogenic COC(=O)[C@@](C)(NC(=O)c1ccoc1)c1cc(F)ccc1F 69528447 HQAGZZSRHVFGLN-HNNXBMFYSA-N 309.268 2.376 0 40 DEAB Cc1ccc([C@]23CCC(=O)N2[C@@H](C(=O)NC2CC2)CS3)cc1 6509644 JNBJOOFFEFGYCS-RHSMWYFYSA-N 316.426 2.164 0 40 DEAB Cc1c(C)n(CCN(C)C)c2ncn(Cc3ccco3)c(=N)c12 6662230 BOLDNVBYGVVHBX-UHFFFAOYSA-N 313.405 2.137 0 40 DEAB COc1ccc(COC[C@H](O)CNCCC(C)C)cc1OC 6626773 AIKSAPYZYTYWDB-OAHLLOKOSA-N 311.422 2.217 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1cccc3c1OCCO3)C2 69949901 QDODMTZKAQXHJD-UHFFFAOYSA-N 314.389 2.189 0 40 DEAB CC(C)(O)CN1CCN(C(=O)[C@@H]2CCCc3ccccc32)CC1 69920039 WICOXKLMZAMPEK-QGZVFWFLSA-N 316.445 2.022 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cncn1-c1ccccc1 15598619 XGMUYTAYYIXDFN-UHFFFAOYSA-N 319.324 2.294 0 40 DEAB Cc1cc(C)c(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 9015911 GSALAGZQILSCNZ-NWDGAFQWSA-N 310.444 2.265 0 40 DEAB O=c1[nH]c(-c2cccc(OCCO)n2)nc2ccc(Cl)cc12 96008347 AISKTDKLFIWMMC-UHFFFAOYSA-N 317.732 2.010 0 40 DEAB CS[C@H]1CCC[C@@H]1N(C)C(=O)CNC(=O)c1cc(C)oc1C 84081525 BEJIFBVXJMBIJL-KBPBESRZSA-N 324.446 2.369 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)c2cnn(C(C)C)c2n1 84083465 GOTQHERNSKXXQY-LSDHHAIUSA-N 316.405 2.354 0 40 DEAB CSC[C@H](C)NC(=O)NC[C@@H](c1ccsc1)N(C)C 76018043 VGNBGKSBYBBVQO-JQWIXIFHSA-N 301.481 2.402 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3CCCCN3C(C)C)C2)no1 72294953 VUEUKPYBCJCJIY-HUUCEWRRSA-N 320.437 2.347 0 40 DEAB COc1c([C@@H]2CCCN2Cc2nnc(C3CC3)o2)c(C)nn1C 72253793 PTMPHBCYPGVAHV-LBPRGKRZSA-N 317.393 2.335 0 40 DEAB O=C(COC[C@H]1CCCO1)Nc1ccnn1Cc1ccsc1 71897968 GFCKAKUFEUVAQR-CYBMUJFWSA-N 321.402 2.127 0 40 DEAB C[C@H](CCO)Nc1ncccc1C(=O)N1CCc2ccccc21 78294811 ZDNVCSYQMWICIV-CYBMUJFWSA-N 311.385 2.467 0 40 DEAB COC[C@H](NC(=O)N1CCc2c(cccc2OC)C1)C1CC1 97082951 PHTQWEBAISXILC-HNNXBMFYSA-N 304.390 2.188 0 40 DEAB Cc1csc([C@H](C)CNC(=O)Nc2cnc(N(C)C)nc2)n1 97113473 OTMSEXKMYBURGN-SECBINFHSA-N 320.422 2.233 0 40 DEAB Cc1cccc(NC(=O)NCc2cn(C)nc2C(F)(F)F)n1 97142677 IMILGJDYVQZKQL-UHFFFAOYSA-N 313.283 2.464 0 40 DEAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1n[nH]c2ccccc12 72303000 UHPKEJQNWOSZKY-UHFFFAOYSA-N 311.345 2.432 0 40 DEAB Cc1c(CNC(=O)N[C@@H](C)[C@@H](C)Oc2ccccc2)cnn1C 97229993 CAAZVQXXTHKSOC-GXTWGEPZSA-N 316.405 2.384 0 40 DEAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C2CC2)cn1 95446009 IQYSAYFBLWLAQN-RRFJBIMHSA-N 301.390 2.030 0 40 DEAB COC(=O)c1ccc(CN2CCC(c3n[nH]c(C)n3)CC2)s1 95411635 NYGSBSMPIFHUGD-UHFFFAOYSA-N 320.418 2.341 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)CCc1ccc2c(c1)CCO2 95472317 BKAPTTHKMCFGGT-MRXNPFEDSA-N 302.418 2.155 0 40 DEAB O=c1ccc(C(F)(F)F)nn1Cc1nc(-c2ccccc2)no1 95437175 OYMDQJLVNKFMMQ-UHFFFAOYSA-N 322.246 2.360 0 40 DEAB COc1ccc([C@@H](O)CNc2nc3ccccc3c(=O)[nH]2)cc1 97995044 QXTXHZMLTPCVJY-HNNXBMFYSA-N 311.341 2.077 0 40 DEAB N[C@@H]1CCN(C(=O)COc2ccc3oc4c(c3c2)CCCC4)C1 95971462 ZMSCIJQFQXMHPN-GFCCVEGCSA-N 314.385 2.250 0 40 DEAB CC1(C)C[C@@H]1C(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 95977005 UWFNEJLTDISERT-CYBMUJFWSA-N 312.417 2.253 0 40 DEAB Cc1ccnc2c1NC(=O)CN2C(=O)Cc1ccc(F)cc1F 95989184 GOIALOPDNFMIJB-UHFFFAOYSA-N 317.295 2.196 0 40 DEAB O[C@H](COc1ccc(F)cc1Cl)COC1CCOCC1 95974860 MFUNTBYSFPTESU-NSHDSACASA-N 304.745 2.414 0 40 DEAB CN(CC(F)(F)F)C(=O)Cn1c2c(sc1=O)CCCCC2 95963639 PWRAJVOORXTMNJ-UHFFFAOYSA-N 322.352 2.199 0 40 DEAB CS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12 89484303 BJBIRXAIANMSHC-HZPDHXFCSA-N 317.410 2.104 0 40 DEAB Cc1ccc(F)c(OCC(=O)NC[C@H](C)Cn2cccn2)c1 89623695 XDABEQDVLLYJJG-ZDUSSCGKSA-N 305.353 2.162 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)NC2CCC(C)CC2)cc1 408707318 MXHFDZCWYVXYHN-UHFFFAOYSA-N 318.417 2.396 0 40 DEAB Cc1ccc(NC(=O)C2=NCCN2C(=O)c2ccccc2)cc1 20311175 DGAOAEQCGHNXCO-UHFFFAOYSA-N 307.353 2.488 0 40 DEAB CCOC[C@@H]1CN(C(=O)Nc2c(C)cc(C)nc2C)CCO1 529103316 MTOWEUDTUVAIDX-AWEZNQCLSA-N 307.394 2.276 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Nc1ccnn1C(C)C 79358777 YNIQVNVEHXKSJU-ZDUSSCGKSA-N 321.425 2.329 0 40 DEAB COc1ccc(CC(=O)N2CCNC[C@H]2c2ccccc2)cc1 313339689 FQXAHPGYZZWMPO-SFHVURJKSA-N 310.397 2.411 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCO[C@@H](c2ccccn2)C1 72385404 KZOXHHPNAZESDP-MRXNPFEDSA-N 300.333 2.363 0 40 DEAB CC1(C)C[C@@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 195556312 QUVJMVGTHYNJIV-QHSOUUPTSA-N 311.447 2.399 0 40 DEAB NC[C@H](O)CC[C@H](O)CN(c1ccccc1)c1ccccc1 198547761 JPKZYZOUEXZWCA-MSOLQXFVSA-N 300.402 2.285 0 40 DEAB NC(=O)c1cccc(CCNC(=O)Cc2ccc(Cl)s2)c1 193576076 XTDVFPUSHBMAIM-UHFFFAOYSA-N 322.817 2.402 0 40 DEAB Cc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1C 224072785 FVZIJVWAIMFXFJ-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)C2CCC2)C1 225411433 FSNLIVUFUNTUCR-JIMOISOXSA-N 308.382 2.038 0 40 DEAB CC1CCC(NC(=O)[C@H](C)NC[C@H]2CCCn3ccnc32)CC1 89922639 SGOLMYORLCTRJY-PWUWZPNHSA-N 318.465 2.434 0 40 DEAB CCCCn1nnnc1CNc1ncnc2oc(C)c(C)c12 195545112 ZKJIGCCEPANXGS-UHFFFAOYSA-N 301.354 2.238 0 40 DEAB COC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 96404699 MEQKCWJJVVGFPK-UWVGGRQHSA-N 302.157 2.386 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)cn1 96089679 UUABAARCSKRMMN-FUHWJXTLSA-N 316.401 2.190 0 40 DEAB CC(C)N1CC[C@@H](N(C)C[C@H]2OCCc3ccccc32)C1=O 95406521 HMNMJTSVJGWOTM-IAGOWNOFSA-N 302.418 2.242 0 40 DEAB CC(C)N(C)Cc1cn2c(n1)CN(Cc1nccs1)CC2 96197201 UZERKFCKIBEJBE-UHFFFAOYSA-N 305.451 2.196 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)C12CCCC2 96419197 KGBBINVHKSKTCP-RBSFLKMASA-N 322.449 2.051 0 40 DEAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4ccncc4)C[C@@H]32)o1 96043519 SYMSKCBSFWYRQO-BZUAXINKSA-N 314.389 2.168 0 40 DEAB C[S@](=O)c1cccc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 97376286 XAOAVYVDZPXOGA-YCRPNKLZSA-N 306.431 2.237 0 40 DEAB CCSc1ccc([C@H](C)NCC(=O)N2CCOCC2)cc1 96491541 AOOWBQVPTNZYTQ-ZDUSSCGKSA-N 308.447 2.308 0 40 DEAB Cc1nnc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)s1 96192538 AKCSTLZSOVQDTH-AWEZNQCLSA-N 302.359 2.368 0 40 DEAB CCCN1CCC(NC(=O)Nc2nc3c(s2)COCC3)CC1 96434989 ADJFEDGNIBAWJH-UHFFFAOYSA-N 324.450 2.212 0 40 DEAB O=C(c1cccs1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1 247961147 XSFOGXJYXCNAIR-UONOGXRCSA-N 306.431 2.073 0 40 DEAB CO[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn2C1 247891288 TUTJEFLHRZEFQG-KRWDZBQOSA-N 308.385 2.462 0 40 DEAB CC[C@@H]1CN([C@H](C)c2nc(C)cc(O)n2)CCN1CC(F)F 248736249 KWMFCERWIHCLQQ-VXGBXAGGSA-N 314.380 2.213 0 40 DEAB O=C(c1ccc(-n2cccn2)nc1)N1CCC[C@H]1c1cnccn1 257312045 UMFFQHWQKDTHLZ-HNNXBMFYSA-N 320.356 2.035 0 40 DEAB COc1ccc(F)cc1C(=O)N1CC[C@H](OC)[C@]2(CCCO2)C1 257206651 BEJZDAASMICQKB-RDJZCZTQSA-N 323.364 2.244 0 40 DEAB C[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1CC1CCC1 253592593 XERAIDPHWLGVSD-LBPRGKRZSA-N 302.422 2.200 0 40 DEAB CCCn1c(C)nnc1CN1CCc2ccccc2[C@@H]1CO 270829624 RTWCFASSEHPWSS-INIZCTEOSA-N 300.406 2.088 0 40 DEAB O=S(=O)(Cc1cccc(Cl)c1)NCC1(O)CCCC1 44448505 LFLABWSISPAXNN-UHFFFAOYSA-N 303.811 2.065 0 40 DEAB O=C1NCCCC[C@@H]1NCc1cnn(-c2ccc(Cl)cc2)c1 54174482 NOTPSMBOVDVACG-HNNXBMFYSA-N 318.808 2.284 0 40 DEAB c1ccc(OCCN2CCN(Cc3cscn3)CC2)cc1 57598714 BVNDDOWYCLMCTL-UHFFFAOYSA-N 303.431 2.340 0 40 DEAB C[C@@H](C(=O)N1CC[C@H](c2nn[nH]n2)C1)c1cc2ccccc2o1 1548766010 UROUHNFPOWRJGQ-PWSUYJOCSA-N 311.345 2.066 0 40 DEAB Cn1cc([C@@H]2NC(=O)c3ccccc3N2)c(-c2ccncc2)n1 63494485 AWTSYSLAAZTCNB-INIZCTEOSA-N 305.341 2.336 0 40 DEAB O=C(Cc1cccs1)NCC[S@](=O)Cc1ccccc1 71893421 SJTRROBXZPVEAW-HXUWFJFHSA-N 307.440 2.356 0 40 DEAB O=C(Nc1nnc2ccccn12)c1ccc2nc(S)oc2c1 72986426 OEJLZXNVJBSXLX-UHFFFAOYSA-N 311.326 2.412 0 40 DEAB O=C(NCc1nccn1CCCc1ccccc1)[C@H]1CCCO1 81932818 NSLFZSWXIHOKPD-MRXNPFEDSA-N 313.401 2.311 0 40 DEAB Cc1cccc(Cl)c1NC(=O)N1CCS(=O)(=O)[C@@H](C)C1 97161886 LDEWVUSCVBXEBB-JTQLQIEISA-N 316.810 2.299 0 40 DEAB CCn1ncc(CNC(=O)N[C@@H]2C[C@@H](c3ccccc3)[C@H]2C)n1 1548451611 IASMSBSOOYKHGQ-DAXOMENPSA-N 313.405 2.289 0 40 DEAB Cc1cc(CN2CC(Cn3cc(Br)cn3)C2)no1 1889084122 AHUZDUBIXJIKIA-UHFFFAOYSA-N 311.183 2.074 0 40 DEAB c1ccc(-c2cc(CNC[C@@H]3CCCO3)c3nnnn3c2)cc1 19374021 LMNKUFJXBLFTIZ-INIZCTEOSA-N 309.373 2.060 0 40 DEAB COc1ccc(N2C[C@H](CNC(=O)C3CCCC3)CC2=O)cc1 8925182 HTOVZTZRTQTHBW-ZDUSSCGKSA-N 316.401 2.355 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)n1cccn1)CC2 40496973 XHBZHJKYYWXPPA-LBPRGKRZSA-N 315.373 2.046 0 40 DEAB O=C(/C=C/c1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 518038 TXQCXCNVHIUDLG-AFJNRPGYSA-N 310.353 2.100 0 40 DEAB O=C(NCc1nnnn1C1CCCCC1)c1cccc(F)c1 10594176 FPZXRFFVHBNXDZ-UHFFFAOYSA-N 303.341 2.247 0 40 DEAB CCOC(=O)c1cn(Cc2ccccc2)c(C(=O)OCC)n1 2069681814 DHTUYAIASLTVQH-UHFFFAOYSA-N 302.330 2.285 0 40 DEAB O=C(Cn1ccnc1-c1ccccn1)NCc1ccccc1F 103919934 BCRRYCCMFAXJMM-UHFFFAOYSA-N 310.332 2.401 0 40 DEAB O=C1CNC(=O)N1CCNc1ccc(Cl)c(C(F)(F)F)c1 30588309 ITNCFNGARASAOA-UHFFFAOYSA-N 321.686 2.323 0 40 DEAB O=C(NCCCN1CCCCCC1=O)c1cc(F)cc(F)c1 40462737 UEHSFPLQWHYOLF-UHFFFAOYSA-N 310.344 2.487 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)Cc2cccc(F)c2)c1 11336305 BHORICAOBJNBSO-UHFFFAOYSA-N 311.320 2.197 0 40 DEAB C[C@H](O)CN1CCC(CN(C)c2cnc3ccccc3n2)CC1 69658889 AXHTUZFVFBXSME-AWEZNQCLSA-N 314.433 2.159 0 40 DEAB NC(=O)c1ccccc1OCc1nc(-c2ccsc2)no1 8221273 BNUXHDFZRFBVDK-UHFFFAOYSA-N 301.327 2.476 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 428736 XENLJBMAWSPEIK-UHFFFAOYSA-N 322.430 2.207 0 40 DEAB c1nc(N2CCC[C@H](Cn3cncn3)C2)c2sccc2n1 69630329 DXKQHZBRHDCRBU-NSHDSACASA-N 300.391 2.199 0 40 DEAB Cc1cccc(NC(=O)CSc2nnnn2C2CCCC2)n1 1238111 FEUNEVXPASVSLS-UHFFFAOYSA-N 318.406 2.222 0 40 DEAB CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@H](C(N)=O)C1 41128731 RVDDTMZXMXVICT-GUOLPTJISA-N 312.369 2.342 0 40 DEAB C[C@@H](NC(=O)c1ccc(=O)n(C)n1)C12CC3CC(CC(C3)C1)C2 6286476 BVSHWSXJFLCEJC-HDPALTEOSA-N 315.417 2.115 0 40 DEAB COc1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1OC 6558181 KJKHCFIZPAYVOH-UHFFFAOYSA-N 320.389 2.339 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c(C)c1 32912874 HCYKTZNTKMLWQN-UHFFFAOYSA-N 323.396 2.492 0 40 DEAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO 8635311 HVLSTKBVGAHKTI-IMJJTQAJSA-N 315.392 2.396 0 40 DEAB biogenic,in-vitro O=c1[nH]c2ccccc2c(=O)n1Cc1nc2ccccc2s1 29874197 WCXZRLORYHVYER-UHFFFAOYSA-N 309.350 2.348 0 40 DEAB O=C(NCC1CCC1)N[C@H](CN1CCCC1=O)c1ccccc1 46458614 QXNRXFDUXYTWDN-MRXNPFEDSA-N 315.417 2.449 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1c1cccs1 46485364 JMNFNBBGQUDMTQ-KBPBESRZSA-N 323.462 2.315 0 40 DEAB COC(=O)C1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 10542207 JSNUQZVVGQXZHK-UHFFFAOYSA-N 305.374 2.094 0 40 DEAB COCCOc1ccccc1C(=O)NCCN1CCCC[C@@H]1C 53030819 FGBQOQPQWHDVEB-HNNXBMFYSA-N 320.433 2.316 0 40 DEAB Cc1cc(C)c(CNC(=O)NCc2ccc(F)c(C)c2)c(=O)[nH]1 9155153 IJPRQTNAJBHABR-UHFFFAOYSA-N 317.364 2.439 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)c3cc(Cl)cn3C)C2)n1 54121409 WJBXMIUDLCTSNT-SNVBAGLBSA-N 308.769 2.390 0 40 DEAB C[C@H]1C[C@H]1C(=O)N[C@H](C)CCN1CCN(c2ccccc2)CC1 106525497 AFXKAOSEWKZDMQ-LZLYRXPVSA-N 315.461 2.359 0 40 DEAB CCN1CCC(NS(=O)(=O)c2ccc(C)cc2Cl)CC1 25368471 GLXWYBBSJKSEGY-UHFFFAOYSA-N 316.854 2.411 0 40 DEAB Cc1cc2nc(COC(=O)c3cccc(F)c3)cc(=O)n2o1 21538598 WDPPRLNYWIPHBD-UHFFFAOYSA-N 302.261 2.092 0 40 DEAB Cc1cc(NC(=O)NCc2cccc(N3CCOC3=O)c2)no1 56328852 GKMGSBSGLNKZIA-UHFFFAOYSA-N 316.317 2.261 0 40 DEAB CCCOc1ccc(C(=O)NCC(C)(C)N2CCOCC2)cc1 25776813 ZFHUNFHZZOZXLF-UHFFFAOYSA-N 320.433 2.316 0 40 DEAB CC(=O)N[C@H](C(=O)NCc1ncc(-c2ccccc2)o1)C(C)C 47928098 WEOQEVMXBLYAGA-INIZCTEOSA-N 315.373 2.119 0 40 DEAB Cc1cccc(C(=O)OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1O 3253898 CSHGWIZYYHIDEZ-VXGBXAGGSA-N 305.374 2.362 0 40 DEAB O=C1NC2(CCC2)C(=O)N1Cc1coc(-c2cccs2)n1 75582071 GZADYFMRHNDZQV-UHFFFAOYSA-N 303.343 2.378 0 40 DEAB COCCCNC(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 76016749 DAYVURVSSBCHBS-OAHLLOKOSA-N 308.422 2.353 0 40 DEAB Cc1nn(C)c(C)c1C(=O)O[C@H](C)C(=O)NC1CCCCCC1 22133610 ZGGMXCJEMCBIOY-CYBMUJFWSA-N 321.421 2.421 0 40 DEAB CCC[C@@H](C)CN1CCC(n2cc(CCC(=O)O)nn2)CC1 48090841 COEJLAFRNQPRDT-CYBMUJFWSA-N 308.426 2.368 0 40 DEAB Cc1ccc(S(=O)(=O)NCCn2nc(C)c(C)c2C)cc1 10233305 SWPZJTHVIGJPAB-UHFFFAOYSA-N 307.419 2.095 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)N[C@@H](C)CN1CCOCC1 44943493 QJTUFUODCUYECO-NSHDSACASA-N 311.451 2.025 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Nc2nnc(C)s2)n1 44971724 IRQYZEZMNXTXFF-QMMMGPOBSA-N 308.411 2.118 0 40 DEAB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCc2sccc2C1 78777093 IOQCAIPHXNUJBN-UHFFFAOYSA-N 317.414 2.462 0 40 DEAB COC(=O)c1cccc(CNC(=O)c2ccccc2C(=O)O)c1 3358661 MSOPORLGWJVWQN-UHFFFAOYSA-N 313.309 2.101 0 40 DEAB Cn1cc(C(=O)C(=O)NCCC23CC4CC(CC(C4)C2)C3)cn1 58419841 SUMFSOOPYVMSKQ-UHFFFAOYSA-N 315.417 2.326 0 40 DEAB CCOP(=O)(OCC)[C@H]1NC(=O)N(c2ccccc2)C1=O 2316877 RNUGDOVXPVQUEB-LLVKDONJSA-N 312.262 2.335 0 40 DEAB NC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 12798475 RBSJUHXZVVAMFN-UHFFFAOYSA-N 306.325 2.224 0 40 DEAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](C)OC[C@H]1C 45447444 PIWZFEDRKBJXKK-CHWSQXEVSA-N 301.390 2.235 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)[C@@H]1CN 70177381 UJEVTHCZDHFVNZ-RKDXNWHRSA-N 308.856 2.149 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1noc2ccccc12 69490840 CVHBREBOXANRNP-CVEARBPZSA-N 313.401 2.456 0 40 DEAB CCOc1ccc2c(c1)CN(c1ncnc3c1cnn3C)CC2 63992410 YIHNNNUJMIHUPT-UHFFFAOYSA-N 309.373 2.325 0 40 DEAB COc1cccc(CN2C(=O)N[C@](C)(c3ccccn3)C2=O)c1 69584126 ICPHCKYRQURVOW-QGZVFWFLSA-N 311.341 2.057 0 40 DEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)C(C)(C)C)C2=O)cc1 4477006 GPNXTSNAHBJLGH-KRWDZBQOSA-N 302.374 2.377 0 40 DEAB CCCN(C(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 14086832 GBLJFKTWVYLDIF-ZDUSSCGKSA-N 314.382 2.257 0 40 DEAB CN1C[C@H](C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC1=O 66664627 JLCYYQZVVUGKNP-LLVKDONJSA-N 320.437 2.352 0 40 DEAB Cc1cc(N)nc(SCC(=O)NCc2ccccc2C)n1 7094608 XIHZFWUGRIFSIG-UHFFFAOYSA-N 302.403 2.084 0 40 DEAB COc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1 7495119 NPQRPMOIDCNWIY-UHFFFAOYSA-N 300.339 2.350 0 40 DEAB COc1ccc(CCNC(=O)CN2CCC[C@@H](C)C2)cc1OC 16684934 XXXMXPAMCQPJRL-CQSZACIVSA-N 320.433 2.094 0 40 DEAB COCCNC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 9338289 ZLOQFAFBKAATQB-UHFFFAOYSA-N 309.366 2.071 0 40 DEAB COC(=O)c1ccc(Cn2nnc(-c3cccs3)n2)cc1 9762221 GTZZYCQUNZVKOD-UHFFFAOYSA-N 300.343 2.237 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccc(Cl)cc1 71823415 DHYYKMUMTNOZTR-KJSMGNOQSA-N 306.793 2.466 0 40 DEAB CC(C)OCCCNC(=O)C[S@@](=O)Cc1cccc(F)c1 71859078 AKYNDKKWMDSNEI-OAQYLSRUSA-N 315.410 2.006 0 40 DEAB CC(C)COC1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 71896976 UKHGJJJVTARTPZ-CYBMUJFWSA-N 322.371 2.287 0 40 DEAB O=C(/C=C/c1ccco1)NCCNC(=O)c1c(F)cccc1F 71902946 VOAKQYLFXBEWQB-VOTSOKGWSA-N 320.295 2.117 0 40 DEAB COC(=O)c1cn(Cc2ccc(Cl)c(Cl)c2)nc1N 408716180 JQUXWFUHDYVNTH-UHFFFAOYSA-N 300.145 2.607 0 40 DEAB Cc1cnn(C[C@H](C)NCc2csc(-c3ncccn3)n2)c1 84265139 XGCPVDWFZYRNKM-LBPRGKRZSA-N 314.418 2.283 0 40 DEAB COC(=O)c1ccc(F)c(CNC(=O)Cc2c(C)noc2C)c1 97238698 AJMIEIZIRZKEDE-UHFFFAOYSA-N 320.320 2.076 0 40 DEAB C[C@@]1(CO)CCC[C@@H]1NS(=O)(=O)c1cccc2cnccc12 95442317 QDQBXZYNNCISRL-HOTGVXAUSA-N 320.414 2.064 0 40 DEAB CC[C@H](C)c1ccccc1OCC(=O)NCc1ncn(C)n1 95454085 QCVVCDRSMZEKAW-LBPRGKRZSA-N 302.378 2.024 0 40 DEAB O=C(CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C1CC1)NC1CC1 95408244 OUYUZVQHVKUBQS-HOTGVXAUSA-N 316.376 2.199 0 40 DEAB O[C@H](C[C@@H]1COCCN1CCc1ccncc1)c1ccco1 95418547 YQLCWAZNRLEGPL-HZPDHXFCSA-N 302.374 2.042 0 40 DEAB COc1cc(CCNC(=O)N2CCCC[C@H]2CCO)ccc1F 95987600 POPOFTBGOAPMLU-AWEZNQCLSA-N 324.396 2.323 0 40 DEAB CN(C)CCC1CCN(S(=O)(=O)CCC(C)(C)C)CC1 95939430 ADGGNZMEQICYMA-UHFFFAOYSA-N 304.500 2.416 0 40 DEAB Cc1ccc2cc(C(=O)N(C)C3(C(N)=O)CCCC3)ccc2n1 95994394 JJQWDUBFGLYVEU-UHFFFAOYSA-N 311.385 2.413 0 40 DEAB COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2cnn(C)c2)cc1 95940158 HONMBWSAGKDHTJ-NSHDSACASA-N 301.346 2.024 0 40 DEAB O=C(N[C@H](CO)Cc1ccccc1)c1ccc(-c2ncon2)cc1 95980997 RXZMZVUPFOOLDR-INIZCTEOSA-N 323.352 2.070 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@@H](CO)C1)c1ccc(F)cc1F 74886334 UZCSOVUCHYPEMP-NWDGAFQWSA-N 312.360 2.482 0 40 DEAB O=C(Cn1ccnc1)NC[C@H](O)c1c(Cl)cccc1Cl 89768026 HQLLNVZDJZCXQC-NSHDSACASA-N 314.172 2.040 0 40 DEAB CCOC(=O)c1cc(I)ccc1OC 39951604 ZGLSJSXSVPSANZ-UHFFFAOYSA-N 306.099 2.477 0 40 DEAB CC(=O)NCc1ccc(C(=O)OCCc2scnc2C)o1 78442170 CSBAYSGWVCOIFW-UHFFFAOYSA-N 308.359 2.080 0 40 DEAB O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCCN1 72352973 JTYGNQCFAOXTME-GFCCVEGCSA-N 318.442 2.308 0 40 DEAB O=C(O)/C=C/CC(=O)Nc1cc(N2CCCC2=O)ccc1Cl 44980367 QMQBUPPPNAHWRM-ORCRQEGFSA-N 322.748 2.436 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 71871065 IDCCDYHIKNGQJQ-LLVKDONJSA-N 322.792 2.225 0 40 DEAB CC(C)CNC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225275684 ZKNJBKOYWSTENQ-UHFFFAOYSA-N 315.464 2.025 0 40 DEAB O=C(Cn1ccc(=O)c2cc(F)ccc21)NCc1ccco1 225748827 XPVGXNHTVFIGJV-UHFFFAOYSA-N 300.289 2.050 0 40 DEAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223562627 KEYZKBUVIVGZNW-STQMWFEESA-N 319.455 2.416 0 40 DEAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2nncn2c1 49408608 UUAFJSJVWGOSFE-UHFFFAOYSA-N 308.750 2.184 0 40 DEAB C[C@H](C1CC1)n1nccc1NC(=O)c1noc2c1COCC2 527591015 ITYPULGCTRNDIA-SECBINFHSA-N 302.334 2.167 0 40 DEAB CCOC(=O)NCC(=O)NC1(Cc2cccc(F)c2)CCC1 193912374 XQNMIFFCSWLPCR-UHFFFAOYSA-N 308.353 2.153 0 40 DEAB O=C(O)c1ccc(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 96515992 YPDCDULBRFYEDE-OCCSQVGLSA-N 310.353 2.170 0 40 DEAB CN(C)c1ccc(C(=O)N[C@H](CO)Cc2ccccc2)c(F)c1 95452606 STUCMLZZFZNREX-AWEZNQCLSA-N 316.376 2.225 0 40 DEAB Cn1cnnc1CNC(=O)Nc1ccccc1CC(F)(F)F 96435448 LWPHBPUHBRUADB-UHFFFAOYSA-N 313.283 2.242 0 40 DEAB CCOC(=O)CN(CC)C(=O)[C@@H](C)n1cnc2ccccc21 97497250 PTWGFIOTEQQKQU-GFCCVEGCSA-N 303.362 2.009 0 40 DEAB Cc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)no1 96425065 MTSODGZGICCVAA-KBPBESRZSA-N 314.341 2.174 0 40 DEAB C[C@H](CCc1ccccc1F)C(=O)NC[C@@H](O)C1CCOCC1 96436980 BVYBIAUVYQQIAR-CXAGYDPISA-N 323.408 2.298 0 40 DEAB CC(C)c1n[nH]c(NC(=O)Cc2ccc3c(c2)OCCCO3)n1 95475591 YLEKBUHGLYHLFA-UHFFFAOYSA-N 316.361 2.271 0 40 DEAB Cc1ncn(C[C@H](O)COc2cccc3ccccc23)c(=O)c1C 97238487 LHBUBSNKWMIJJA-INIZCTEOSA-N 324.380 2.453 0 40 DEAB c1cncc(O[C@H]2CN(CC3CCOCC3)[C@@H]3CCCO[C@H]23)c1 96187111 YYNYXRCJEMAFBW-SQNIBIBYSA-N 318.417 2.119 0 40 DEAB Cc1cccc(NC2CCN(CCCS(C)(=O)=O)CC2)c1 96421195 IWJDYTVQJOLCPJ-UHFFFAOYSA-N 310.463 2.306 0 40 DEAB O=C(N1CCCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107260 PGTSKMMTADECBN-WBVHZDCISA-N 308.422 2.252 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@@H]1C[C@H]1c1ccccc1 245339027 QASCZAWCKBPWTD-AEGPPILISA-N 324.446 2.007 0 40 DEAB O=C(c1ccco1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 247951294 SUTQUXHTNSQQQD-CYBMUJFWSA-N 316.382 2.454 0 40 DEAB CO[C@H]1CCN(C(=O)Cc2ccccc2C)C[C@@]12CCCO2 257278199 OBGJOLBRMZXTLY-WMZOPIPTSA-N 303.402 2.334 0 40 DEAB Cc1cc(C)cc(CN(C)C[C@H]2CCN(S(C)(=O)=O)C2)c1 252500614 SZEAFGODZOWXHM-OAHLLOKOSA-N 310.463 2.017 0 40 DEAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2cccnc2)n1 257296758 REGVCFGCGHDTRA-SFHVURJKSA-N 310.401 2.450 0 40 DEAB CC(=O)NCc1cncc([C@H]2CCCN2c2cccc(C)n2)n1 257332785 XYPSKXYTSHAKHF-MRXNPFEDSA-N 311.389 2.158 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)c3scnc3C)CCO2)nc1 257259574 KYYIXRVEQABMNK-CYBMUJFWSA-N 303.387 2.369 0 40 DEAB CNc1nccnc1[C@@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 257337564 YTIJEXIVHHKEET-KIUWMYQTSA-N 324.384 2.132 0 40 DEAB Cc1ccc(CN(C)Cc2cccc(S(=O)(=O)N(C)C)c2)o1 49091101 UPMRPFBAQWRYRC-UHFFFAOYSA-N 322.430 2.470 0 40 DEAB C[C@H](NC(=O)c1csc(-c2ncccn2)n1)c1ccccn1 54150188 ILSMFFHUUJFGJL-JTQLQIEISA-N 311.370 2.486 0 40 DEAB CC[C@H](NS(=O)(=O)C1CCOCC1)c1ccc(OC)cc1 57877620 SRGFZNGFAPONQS-HNNXBMFYSA-N 313.419 2.245 0 40 DEAB COc1cccc(C(=O)NCCn2cc(-c3ccccc3)nn2)c1 1558835380 QXQXXQTUGVALGR-UHFFFAOYSA-N 322.368 2.384 0 40 DEAB Cc1cc(C)n2nc(CC(=O)N(C3CC3)[C@H](C)C(C)C)nc2n1 59251638 QTANAQGRQNJTKP-CYBMUJFWSA-N 315.421 2.319 0 40 DEAB Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@@H](CO)C1 71867552 DDFUSGZXIUDSFH-CQSZACIVSA-N 315.417 2.433 0 40 DEAB O=C1c2ccccc2C(=O)N1C[C@@H]1C[C@]1(C(=O)O)c1ccccc1 38207889 XWJCCJTWOLBUSW-DJJJIMSYSA-N 321.332 2.325 0 40 DEAB in-vitro O=C(O)c1cnc2cc(I)ccc2c1O 101031557 ZGLBZJRIKSFPNY-UHFFFAOYSA-N 315.066 2.243 0 40 DEAB C/C=C/C(=O)OCc1nc(-c2ccc(OC)c(OC)c2)no1 8132382 YFPOZKHQWVYSFE-SNAWJCMRSA-N 304.302 2.373 0 40 DEAB c1ccc(-c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)nc1 5456228 RDJOEIOFMPTUHM-UHFFFAOYSA-N 309.358 2.127 0 40 DEAB Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](C)Cn1cc(Cl)cn1 19577701 ZSIOHLXDCVLERP-JTQLQIEISA-N 323.828 2.182 0 40 DEAB CCOc1ccc(C(=O)N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cn1 1888854334 ZLZGOLJHGAESHW-GASCZTMLSA-N 315.417 2.037 0 40 DEAB Cc1ccc(N2CCN(Cc3ccc(F)c(F)c3)CC2)nn1 1849083322 YBQWZKMVJGVVDV-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1ccccc1C(=O)NC1CC1 29010007 ICFFCXMCEICOOU-UHFFFAOYSA-N 318.373 2.408 0 40 DEAB Cc1ccc(C(=O)N2CCCC[C@H]2c2cc(O)n(C)n2)cn1 2037835016 RCOOKKFTAMSSPG-AWEZNQCLSA-N 300.362 2.197 0 40 DEAB COC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccccc1 4341469 OXDXEMQQDYOBOY-SNVBAGLBSA-N 314.370 2.469 0 40 DEAB CCOc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1 10255729 QQXUOVYZNDQBAG-QGZVFWFLSA-N 324.380 2.071 0 40 DEAB CN1C[C@@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)CC1=O 2298028269 XPTIRTAPOFPGFI-ZDUSSCGKSA-N 322.836 2.102 0 40 DEAB COc1ccc2c(c1)OCC(/C=N/NC(=O)c1ccc(N)cc1)=C2 10118146 YPESPYQHOOFBRS-KEBDBYFISA-N 323.352 2.469 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)NCCc1ccccn1 40107232 UDRZCFRLVSVBFO-UHFFFAOYSA-N 306.369 2.169 0 40 DEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1 30731863 OLZBEISZRJBRSU-SMUZHEOXSA-N 315.398 2.422 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)NC[C@@H]3CCCO3)cc2c1 40489974 CQNIZZKHDVRVJR-NSHDSACASA-N 304.346 2.094 0 40 DEAB CN(Cc1ccsc1)C(=O)CSc1nnc(N)n1C1CC1 31853003 SPEHFEYMOZJSCX-UHFFFAOYSA-N 323.447 2.007 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccccc1N1CCOCC1 8394478 UVLMNZNAVFPHAX-UHFFFAOYSA-N 315.373 2.309 0 40 DEAB CC[C@@]1(C(=O)OC)C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)N1C 8730133 VKNSHFZHNUXUHI-WWGRRREGSA-N 309.337 2.225 0 40 DEAB C[C@H](OC(=O)CCNC(=O)c1ccco1)C(=O)c1ccccc1 12042109 BCRXXVFFQTUXLM-LBPRGKRZSA-N 315.325 2.214 0 40 DEAB O=C(N[C@@H](c1ccccc1)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 46690796 BMUXPXLZCYGGOG-CVEARBPZSA-N 321.442 2.469 0 40 DEAB CCSc1cc(C(=O)NCc2nnc3n2CCCC3)ccn1 53062366 MBLWVLHCBHZNLO-UHFFFAOYSA-N 317.418 2.051 0 40 DEAB Cc1nc2ncnn2c(N)c1-c1ccc(Br)cc1 9290058 IMVXVGBNFWRJQY-UHFFFAOYSA-N 304.151 2.444 0 40 DEAB COc1cc(CNC(C)C)ccc1OCC(=O)N1CCCC1 60806149 DZBCZMZXIXSVTQ-UHFFFAOYSA-N 306.406 2.194 0 40 DEAB CC(C)(C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 113948427 UZJNUAWFWSBUPT-UHFFFAOYSA-N 304.799 2.240 0 40 DEAB Cc1ccc(NC(=O)CCC(=O)N2CCOCC2)c(Cl)c1 47651241 ITUQYNAQIDVLHV-UHFFFAOYSA-N 310.781 2.226 0 40 DEAB C[C@@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1cccnc1 47778299 GGLAGYQWDRSIKR-OCCSQVGLSA-N 302.378 2.338 0 40 DEAB COc1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)c(OC)c1 26161249 RLBKCNLIRNHLKG-KRWDZBQOSA-N 314.385 2.362 0 40 DEAB COCC(=O)NC[C@H]1CC[C@H](c2nn(C)c3ncccc32)CC1 100216411 UVGWBLPUKMVKEW-BETUJISGSA-N 316.405 2.005 0 40 DEAB COC(=O)c1ccccc1OCC(=O)NCCc1cccs1 44869474 QVEUQIJPTSUGCP-UHFFFAOYSA-N 319.382 2.272 0 40 DEAB O=S(=O)(NCc1ccco1)c1ccccc1OC(F)F 58330899 IIHLSIOLBFCVDX-UHFFFAOYSA-N 303.286 2.360 0 40 DEAB CCCNC(=O)NC(=O)COC(=O)c1c(C)cc(C)cc1C 3352475 XRKDTHCPRQNBEC-UHFFFAOYSA-N 306.362 2.004 0 40 DEAB CN(C(=O)c1cccc(S(=O)(=O)N(C)C)c1)C1CCCCC1 3447100 FKFJPMDCSMAABJ-UHFFFAOYSA-N 324.446 2.342 0 40 DEAB Cc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CS3)n1C 3441869 QGOXYZNNWRKBNY-UHFFFAOYSA-N 315.398 2.308 0 40 DEAB Cc1noc(C)c1CN1CCCN(C(=O)c2ccco2)CC1 62615392 GVGOVCKZFHFZLL-UHFFFAOYSA-N 303.362 2.233 0 40 DEAB CCOc1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)cc1 12999698 OXQPNOLLXDXSBM-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)NC1=S 3662745 NHMLXDBDVUPQBX-FLIBITNWSA-N 306.387 2.171 0 40 DEAB Cc1cccc2sc(C(=O)N3CCNC(=O)C3)c(Cl)c12 13001395 LCYNKVGZIRQEEI-UHFFFAOYSA-N 308.790 2.435 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCn1ccnc1 4033747 CPUPJNCXMXCPPU-UHFFFAOYSA-N 310.357 2.062 0 40 DEAB Cc1ccccc1OCCN1CCN(C[C@@H](O)C(C)(C)C)CC1 69624334 IOSYSFKVBCFOKE-GOSISDBHSA-N 320.477 2.398 0 40 DEAB Clc1ccc2nc(CN3CCC[C@@H]3Cn3cncn3)cn2c1 69697900 JXBOAFFWCVDNHV-CQSZACIVSA-N 316.796 2.244 0 40 DEAB CNC(=O)C1(C(=O)NC[C@H](c2ccccc2)C(C)C)CCC1 69669602 GIOPLLSYRMCPMN-HNNXBMFYSA-N 302.418 2.459 0 40 DEAB Cc1cccn2cc(CC(=O)N3CCC[C@@H](n4ccnc4)C3)nc12 69661874 KRQDNNIGGFLGHN-MRXNPFEDSA-N 323.400 2.245 0 40 DEAB CCCCn1c(S)nc2cc(S(=O)(=O)N(C)C)ccc21 6122979 SMSSNRYJJBNIKU-UHFFFAOYSA-N 313.448 2.375 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1 5120145 OAVFAJTVWANEAU-GFCCVEGCSA-N 318.398 2.456 0 40 DEAB Cn1ncc2c(O)nc(CN3CCC[C@@H]3CC(C)(C)C)nc21 65411512 IXEVDBJCETXIGI-LLVKDONJSA-N 303.410 2.470 0 40 DEAB COc1cc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc(OC)c1 66157787 BLORXTIORMARRW-CQSZACIVSA-N 319.405 2.406 0 40 DEAB CCO[C@@H]1CCCN(C(=O)NCc2c(C)nn(CC)c2C)C1 67468282 WDTLCQKCVFAFPL-CQSZACIVSA-N 308.426 2.230 0 40 DEAB C[C@@H]1Oc2ccc(NC(=O)CCc3cccnc3)cc2NC1=O 7314314 JZCCJOCBCALLMJ-NSHDSACASA-N 311.341 2.372 0 40 DEAB COc1ccc(Br)cc1S(=O)(=O)NC(C)C 7305948 XEXMKPJGYOXMJC-UHFFFAOYSA-N 308.197 2.144 0 40 DEAB C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)[C@H]1CCCO1 27859076 QOTVDPNAFCGHIP-GXTWGEPZSA-N 318.373 2.058 0 40 DEAB Cc1nc([C@@H]2COCCN2C(=O)Cc2cccc(Cl)c2)no1 96000935 MERQDFNQDWHFJN-ZDUSSCGKSA-N 321.764 2.174 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2ccccc2)[nH]n1 9317873 NVTFXUGBBWXIMB-UHFFFAOYSA-N 314.389 2.063 0 40 DEAB CC(=O)NCCNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 96491712 SFDMWWFBUOMSHW-FUHWJXTLSA-N 315.417 2.233 0 40 DEAB Cc1cccc([C@@H]2CCCCCN2C(=O)[C@H](C)NC(N)=O)c1 96410254 IZQGKDGRRHVNLF-ZFWWWQNUSA-N 303.406 2.496 0 40 DEAB CCOc1ccc(NC(=O)NCCc2nc(C)no2)cc1C 71892328 BKXOUKWXUCDJQA-UHFFFAOYSA-N 304.350 2.449 0 40 DEAB CCN(C(=O)CNC1(c2ccc(F)cc2)CCOCC1)C1CC1 71886835 GYYCXEJNCAQZTF-UHFFFAOYSA-N 320.408 2.432 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1 84148764 GPGNDMFKIBAGIJ-CQSZACIVSA-N 301.308 2.453 0 40 DEAB Cc1cccn2cc(CN3CCn4c(nnc4C4CC4)C3)nc12 72268404 OBLVZHJLYNGELU-UHFFFAOYSA-N 308.389 2.127 0 40 DEAB CC1CCN([C@H](C)CNC(=O)N[C@H](CO)c2ccccc2)CC1 97048268 RDIHDAORBRFFKF-NVXWUHKLSA-N 319.449 2.140 0 40 DEAB Cc1c(CN2CCOC[C@@H]2CC(=O)c2ccccc2)cnn1C 97162976 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Cc1cc(C(=O)Nc2ccc(OCCCN(C)C)cc2)n(C)n1 89591754 YDMWETPJOLXGQL-UHFFFAOYSA-N 316.405 2.311 0 40 DEAB Cc1ccc(Cn2cccc(NC(=O)c3cnccn3)c2=O)cc1 89633285 JGBYJHYHZXSOST-UHFFFAOYSA-N 320.352 2.247 0 40 DEAB O=C(O)c1cc(C2CCN(C(=O)[C@@H]3[C@H]4CCC[C@H]43)CC2)no1 1548597534 LKMGJYZFHNWEMV-YABSGUDNSA-N 304.346 2.125 0 40 DEAB CC(=O)Nc1cc(C(=O)N2c3ccccc3C[C@H]2CN)ccc1C 515346264 ZXJHKPVFPIXGCS-INIZCTEOSA-N 323.396 2.484 0 40 DEAB Cc1ccc(-c2nn(C)cc2C(=O)N[C@H]2COC(C)(C)C2)o1 529520133 SEMHDHIIGKKYSG-LLVKDONJSA-N 303.362 2.286 0 40 DEAB C[C@H]1C[C@@H](Nc2ccc(OCC(F)(F)C(F)F)nc2)C(=O)O1 79030738 CINGVQJERSWHQB-IONNQARKSA-N 322.258 2.477 0 40 DEAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccco1 210092676 WUNJMNJCXSTDRR-GFCCVEGCSA-N 302.330 2.211 0 40 DEAB CN(Cc1nccn1C(F)F)S(=O)(=O)c1cccs1 30004473 RJBQSVKWCDXHBZ-UHFFFAOYSA-N 307.347 2.160 0 40 DEAB COC(=O)CCC(C)(C)NC(=O)c1cc(Br)c[nH]1 79310518 RQVBEZFEPADHQZ-UHFFFAOYSA-N 317.183 2.239 0 40 DEAB CCOC(=O)C1=NN(c2cc(C)cc(C)c2)[C@@](C)(C(=O)O)C1 71979441 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c1ccc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)nc1 97953761 HFVCTYSAKDHUFN-XYJFISCASA-N 311.385 2.287 0 40 DEAB Cc1nnc([C@H]2C[C@@H]3CCN(Cc4c(C)noc4C)C[C@H]3O2)[nH]1 96046202 NJPLKFDDNWWHNI-NWANDNLSSA-N 317.393 2.070 0 40 DEAB CC(C)=CCN1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 96424694 ZWGNTKWZUOXDHZ-UHFFFAOYSA-N 309.498 2.369 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)c1ccccn1 96437607 OHLAPIKPWQADDQ-ZDUSSCGKSA-N 301.394 2.495 0 40 DEAB O=C(Cn1cccn1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 96411472 ZVMWEHIUAIEAGM-LBPRGKRZSA-N 314.172 2.040 0 40 DEAB CN(C)C(=O)N[C@H]1COC2(CCN(Cc3ccccc3)CC2)C1 96224808 XFGYJVQBSHKLKL-MRXNPFEDSA-N 317.433 2.081 0 40 DEAB CO[C@H](CNC(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O)C(C)(C)C 96446886 OHKGHUYVVKJKSF-LLVKDONJSA-N 323.437 2.167 0 40 DEAB O=C(OCc1nc(-c2ccncc2)no1)c1ccc(F)cn1 96501920 ATWROPLAMZJWIA-UHFFFAOYSA-N 300.249 2.023 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)Cc2nc(CCOC)no2)C12CCCC2 96419729 AZZRDWYLBVSTJA-ZIAGYGMSSA-N 323.437 2.428 0 40 DEAB COC[C@@H]1CCN(C(=O)C(=O)Nc2cccc3ccccc23)C1 96418151 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DEAB Cc1cc(CN2CCC(Oc3nc(C)cnc3C)CC2)on1 2086946016 VDCSYVYPPOEZFX-UHFFFAOYSA-N 302.378 2.433 0 40 DEAB CCc1c(C)ncnc1N1CCN(c2cc(C3CC3)ncn2)CC1 2087122907 ZHRYGWLXPQXRCG-UHFFFAOYSA-N 324.432 2.341 0 40 DEAB CC(=O)N[C@@H]1SC(c2ccccc2)=N[C@]1(O)c1ccccc1 338783 BCXXUSGPERBYHH-SJORKVTESA-N 312.394 2.488 0 40 DEAB Cc1ccccc1C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954561 VBGFIZJGOWCDDL-UHFFFAOYSA-N 323.352 2.242 0 40 DEAB O=C(NCc1ccc(F)cc1F)c1ccc(-n2cccn2)nc1 49407319 ARKRJUWYKWZQEM-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB CCc1nn2c(=O)cc(CNc3ccccc3OC)nc2s1 30284307 UVPBZSAOTZFSSY-UHFFFAOYSA-N 316.386 2.334 0 40 DEAB CCCc1noc([C@H](C)Sc2nnnn2C[C@H]2CCCO2)n1 40496573 NUITXHOZAKNTDE-VHSXEESVSA-N 324.410 2.041 0 40 DEAB Cc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1C 211328 BJCVNCMHKUJCME-UHFFFAOYSA-N 301.371 2.218 0 40 DEAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccccc1 8142134 ZROOXRPQRZSBMS-LLVKDONJSA-N 317.414 2.306 0 40 DEAB Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCC(C)C)c1 260679 BPTRSHRWPQHNST-CABCVRRESA-N 320.389 2.161 0 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0 40 DEAB O=C(NCc1ccc(F)cc1)N[C@@H](Cc1ccccc1)C(=O)O 534050 YCKLSPXTQRIYJB-HNNXBMFYSA-N 316.332 2.321 0 40 DEAB Cc1cccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)n1 69350575 VVLGDSMJKARQBU-QGZVFWFLSA-N 323.396 2.484 0 40 DEAB CCCNC(=O)c1c(NC(=O)c2ccccc2Cl)cnn1C 2796351 FMHBYNUGPUSPJE-UHFFFAOYSA-N 320.780 2.466 0 40 DEAB Cc1n[nH]c(NCCc2csc(-c3ccccc3)n2)nc1=O 41605429 UWOBPBAIKSVSDR-UHFFFAOYSA-N 313.386 2.251 0 40 DEAB CC(=O)N1c2ccccc2OC(=O)[C@@H]1CC(=O)Nc1ccccc1 9926874 GRWNZGIMIYLLHC-HNNXBMFYSA-N 324.336 2.356 0 40 DEAB CCOC1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 59932088 YNTPIXOQNWJECY-LBPRGKRZSA-N 320.389 2.243 0 40 DEAB C[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(C)(C)c1ccccc1 69705773 SIIWUMWXMAUWKZ-UONOGXRCSA-N 321.442 2.417 0 40 DEAB O=C1CCCCCN1CCNC(=O)N1CCc2sccc2C1 47084301 ANTNMIMFRZVHHF-UHFFFAOYSA-N 321.446 2.218 0 40 DEAB CN(CC(=O)NC[C@H]1CCCO1)Cc1ccc(F)cc1Cl 69704768 NERYIGKHKVHNMQ-CYBMUJFWSA-N 314.788 2.206 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1N2Cc1nccs1)c1ccco1 107262755 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C[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCO[C@@H]1c1ccccc1 89937871 UZRXPVNUABBOTM-DJIMGWMZSA-N 302.418 2.317 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)CNC(=O)CCC(C)C)C12CCC2 72295807 MGSMBTCNGWRNGP-UONOGXRCSA-N 310.438 2.003 0 40 DEAB CC1(CCNC(=O)NC[C@H]2C[C@@H]2c2ccccc2)OCCO1 97115795 OLBZRULZAQWUQT-HUUCEWRRSA-N 304.390 2.242 0 40 DEAB C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)Oc1ccc(F)cc1 72302960 VYLNGLCRCGWXHG-VIFPVBQESA-N 322.361 2.183 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)OC[C@H]1CCCN1C(N)=O 76090613 CUZDMGMUGKWTHD-LLVKDONJSA-N 301.346 2.176 0 40 DEAB Cc1nccc(C(=O)Nc2cccc(CN3CCCC3=O)c2)n1 77492934 INKFRVOLKLETMG-UHFFFAOYSA-N 310.357 2.160 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)Nc1scnc1C(C)(C)C 95407659 PUBYKMVAIXCZSY-SECBINFHSA-N 308.411 2.242 0 40 DEAB Cn1ccnc(Sc2ncc(-c3ccc(F)cc3)[nH]2)c1=O 95403036 YGZQMUCORMMJLW-UHFFFAOYSA-N 302.334 2.461 0 40 DEAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nncn2Cc2ccco2)n1 95425859 IUJYNHOCEIPOGK-SNVBAGLBSA-N 317.374 2.164 0 40 DEAB CSc1ccc(C(=O)NCCCN(C)C(=O)C2CCC2)o1 78996509 XOKLBNQALVSENC-UHFFFAOYSA-N 310.419 2.380 0 40 DEAB CCOc1cccc([C@H](C)NC(=O)c2ccn(C)c(=O)c2)c1 95956757 FUYPWUWYNHCQNZ-LBPRGKRZSA-N 300.358 2.275 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCc2noc(C)n2)C12CCCCC2 79003116 MSDQLDRBODKPHP-OLZOCXBDSA-N 322.409 2.305 0 40 DEAB COCCn1ccc(NCc2ccc(-n3cncn3)c(C)c2)n1 89591440 YMHITBRJNYYNAW-UHFFFAOYSA-N 312.377 2.031 0 40 DEAB C[C@@H](NC1CCC(O)CC1)[C@H](c1ccccc1)N1CCOCC1 89598524 OCLXIWYYVLSODH-JYPHPWERSA-N 318.461 2.342 0 40 DEAB Cc1cc(CS(=O)(=O)c2nccn2-c2cccc(F)c2)no1 89604988 NXXHRXATGJNVSG-UHFFFAOYSA-N 321.333 2.282 0 40 DEAB O=C(N[C@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccccc1 28283864 CNVMJPRBVBVLHN-QWHCGFSZSA-N 318.398 2.423 0 40 DEAB O=C1C[C@@H](c2nc(-c3ccccn3)no2)CN1CC(F)(F)F 78773832 PRSGHWLZXBIAOB-MRVPVSSYSA-N 312.251 2.010 0 40 DEAB COc1ccc([C@@H]2CCN(c3nnnn3C3(C)CC3)C2)cc1F 1553044540 CJLDXQJLMSFNMY-GFCCVEGCSA-N 317.368 2.324 0 40 DEAB CCN(Cc1ccccc1)C1CCC(NC(=O)[C@H](C)N)CC1 79415498 LWWLRYYGOOHGPF-OOHWJJMZSA-N 303.450 2.283 0 40 DEAB COc1ccc(C)cc1NC(=O)c1ccc(-n2ccnc2)nn1 75163791 WLNOBMXDUHXBNY-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB CCN(CCO)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391678 PAWFIZGJWGJFSR-MRXNPFEDSA-N 306.406 2.102 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)/C=C/c1cccc(F)c1 79042417 DOWWRADFSGKTHZ-IDVQTMNDSA-N 313.394 2.121 0 40 DEAB CN(CCSc1ccccc1)Cc1cc2n(n1)CCNC2 72135377 XAZNUSJYQQUYCC-UHFFFAOYSA-N 302.447 2.210 0 40 DEAB Cn1c(Cn2cnc(C3CCC3)cc2=O)nnc1-c1ccccc1 89703806 JRQDTZPVWYIHPC-UHFFFAOYSA-N 321.384 2.355 0 40 DEAB O=C([C@H](O)c1ccccc1)N1CCC(n2cc(Cl)cn2)CC1 225568088 OXBHJYQSQAQCHS-OAHLLOKOSA-N 319.792 2.434 0 40 DEAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1n[nH]c2c1CCCC2 85876415 OUDKAHUINJKWAO-XJKSGUPXSA-N 316.449 2.283 0 40 DEAB biogenic C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C 195558633 OMWABDPAVXOMKW-BARDWOONSA-N 310.438 2.301 0 40 DEAB O=C(C1CC1)N1CCC[C@]2(C[C@H](OCc3cccnc3)CO2)C1 96107516 KCRNJQJYDNYXHZ-WMZOPIPTSA-N 316.401 2.158 0 40 DEAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccncc1F 91210463 RRFVVMDPZQNSEF-LBPRGKRZSA-N 316.332 2.425 0 40 DEAB CCOC[C@@H]1C[C@H]2OCCN(C(=O)Cc3ccsc3)[C@@H]2C1 96082730 LWSSQWMXPYPDBK-RRFJBIMHSA-N 309.431 2.333 0 40 DEAB CCOCc1ncn2c1CN(C(=O)c1ccc(F)cc1)CC2 96260149 WNPJKPXSLCTURF-UHFFFAOYSA-N 303.337 2.215 0 40 DEAB COc1cccc(N2CCC[C@H](NC(=O)c3cc(C)on3)C2)c1 96409287 NKTQYFAUNPXEMF-ZDUSSCGKSA-N 315.373 2.390 0 40 DEAB Cn1c(C(=O)NCCN2CCCC2)cc2c1c1ccccc1n2C 96264154 LDXCCEFBFYHGBQ-UHFFFAOYSA-N 324.428 2.496 0 40 DEAB CN1CC2(CCN(C(=O)C3CC3)CC2)C[C@@H]1COCC1CC1 96209101 OAYIBOPNABXLLI-MRXNPFEDSA-N 306.450 2.136 0 40 DEAB C[C@@H](CO)CNC(=O)[C@H](C)Cc1ccc(Br)cc1 96487452 KLSJZSYDWZWUBK-GHMZBOCLSA-N 314.223 2.372 0 40 DEAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCOCC1 95472980 MUCJCWWTQLRYAM-UHFFFAOYSA-N 305.403 2.359 0 40 DEAB C[C@H](CS(C)(=O)=O)C(=O)N[C@@H](C)c1ccc2c(c1)CCC2 95405989 QXLUJXJHCXZJQV-NEPJUHHUSA-N 309.431 2.033 0 40 DEAB O=C(c1cc(-c2ccc3c(c2)CCO3)n[nH]1)N1CCSCC1 96118344 KEAGHPPKNRTKBD-UHFFFAOYSA-N 315.398 2.201 0 40 DEAB COc1cc(C)c(CNC[C@H](C)N2CCOC[C@H]2C)cc1OC 245343907 WKLVOIPHBZQCPR-LSDHHAIUSA-N 322.449 2.211 0 40 DEAB CCc1n[nH]c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCN3C)c1C 257256449 KLNPZBOIMBBXMM-YOEHRIQHSA-N 304.438 2.369 0 40 DEAB Cc1nc(CC(=O)N[C@H](CO)c2ccccc2C)c(C)s1 537783389 CLQXVZXKHFHTRB-OAHLLOKOSA-N 304.415 2.461 0 40 DEAB CO[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)C[C@H]1OC 277943399 SQYGQAQKOVSHTF-TXEJJXNPSA-N 303.280 2.191 0 40 DEAB O=C(c1cc(-c2cccs2)on1)N1CCN(CCF)CC1 390830209 JNGRIGCGOMOQGC-UHFFFAOYSA-N 309.366 2.130 0 40 DEAB O=C(N1CC2(C[C@@H](Oc3ccccn3)CS2)C1)C1(F)CC1 575402694 FUNFDMIUYOADFN-LLVKDONJSA-N 308.378 2.049 0 40 DEAB Cc1cccc(OC[C@]2(O)CCN(Cc3c[nH]nc3C)C2)c1 585274845 PJIGRCWTAHKSQE-KRWDZBQOSA-N 301.390 2.042 0 40 DEAB C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)CCCOc1ccccc1 68789383 MGOZPKVRLPYLLK-NVXWUHKLSA-N 321.417 2.498 0 40 DEAB CS[C@H]1CCC[C@H]1N(C)C(=O)CNC(=O)c1cc(C)oc1C 84081523 BEJIFBVXJMBIJL-KGLIPLIRSA-N 324.446 2.369 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCN2 11755750 FRSYYUZQJKTRRY-UHFFFAOYSA-N 302.399 2.475 0 40 DEAB O=C(NCC1(O)CSCCSC1)c1cc2ccccc2o1 1888869383 DUEPPDDINHZPTO-UHFFFAOYSA-N 323.439 2.374 0 40 DEAB O=C(N[C@@H]1CCCN(c2ncnc3sccc23)C1)C1CC1 1889085227 KSJJNMCSMOJPAX-LLVKDONJSA-N 302.403 2.186 0 40 DEAB COc1nccnc1N1CCC[C@@H](COc2ccnc(C)c2)C1 1889108959 SUUNLJKWNNJDDT-CQSZACIVSA-N 314.389 2.484 0 40 DEAB Cc1cc(OC2CN(C(=O)[C@H](C)Oc3ccccc3)C2)ccn1 1889175203 XOSQEYYAZGUHAJ-AWEZNQCLSA-N 312.369 2.447 0 40 DEAB COc1ccccc1CC(=O)N1CC(Cn2cc(Cl)cn2)C1 1848609851 QIIPTULJXMAFRK-UHFFFAOYSA-N 319.792 2.246 0 40 DEAB C[C@@H]1c2cccn2CCN1CCC(=O)NC(=O)NC1CCCC1 24743456 FSMCCCBGKFXADK-CYBMUJFWSA-N 318.421 2.023 0 40 DEAB CCc1ncnc(N2CCC(COc3ncccn3)CC2)c1F 1775996071 SVWCTJIVDKEJOY-UHFFFAOYSA-N 317.368 2.264 0 40 DEAB CCCCCCN[C@H](CC(=O)Nc1cccc(O)c1)C(=O)O 4280049 OEZONSAEZRXEPV-CQSZACIVSA-N 308.378 2.344 0 40 DEAB CCCC(=O)NCCNc1ccc(Nc2cc(C)ccn2)nn1 11696708 LLGHXQHDSLKJHS-UHFFFAOYSA-N 314.393 2.252 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC(Oc3ccncc3)C2)cc1C 1775974376 ZZJZAXUBNWOTFH-UHFFFAOYSA-N 318.398 2.150 0 40 DEAB C[C@@](O)(CNC(=O)COCc1ccccc1)Cc1ccsc1 618256364 GYUABTRXRRIVRE-KRWDZBQOSA-N 319.426 2.375 0 40 DEAB c1ccc(N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@@H]3C2)nc1 2298048649 OTKISKDZVOBCAE-GJZGRUSLSA-N 307.401 2.322 0 40 DEAB O=C(O)[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc45)C(=O)[C@H]13)O2 4044120 QPIMZZREQHWMAF-OAFZBRQQSA-N 321.332 2.211 0 40 DEAB biogenic COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@H]2C)cc1Cl 40091322 CGHCVHHCORMWOM-NXEZZACHSA-N 319.810 2.147 0 40 DEAB Cc1ccc(-c2noc(CS(=O)(=O)C[C@@H]3CCCO3)n2)cc1 40498803 FXQCALBXRSLNNW-ZDUSSCGKSA-N 322.386 2.139 0 40 DEAB O=S(=O)(Cc1coc(-c2ccccc2)n1)C[C@@H]1CCCO1 40498838 UKKSYSYHKIAVBL-AWEZNQCLSA-N 307.371 2.435 0 40 DEAB CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40512007 JCQVJLHILAWUII-LLVKDONJSA-N 316.423 2.229 0 40 DEAB Cc1ccc2ncn(C[C@H](O)COCc3ccccc3)c(=O)c2c1 51373991 VAJBCMTWSHLADF-INIZCTEOSA-N 324.380 2.283 0 40 DEAB CCOC(=O)COn1c2c(c3c4nonc4ccc31)CCCC2 497827 IKIMBVINAOOUOE-UHFFFAOYSA-N 315.329 2.048 0 40 DEAB CCCn1nnnc1NC(=O)c1ccc(Br)cc1 569528 JPVWJHZQWNLZHV-UHFFFAOYSA-N 310.155 2.098 0 40 DEAB O=S(=O)(/C=C/c1ccccc1Cl)N1CCCn2ncnc21 69705195 GXPRQIDCEILFPN-RMKNXTFCSA-N 324.793 2.142 0 40 DEAB O=C(Nc1cccnc1-n1cccn1)[C@H]1COc2ccccc2O1 46016600 XSRVIOHMBFAFRM-OAHLLOKOSA-N 322.324 2.046 0 40 DEAB CO[C@@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1ccccc1 1621493 LSDQPHGAMNDNCK-DLBZAZTESA-N 300.310 2.096 0 40 DEAB CCC(CC)C(=O)CN1C(=O)C2(OCCO2)c2ccccc21 3665059 HCGONNFRSXBMGS-UHFFFAOYSA-N 303.358 2.238 0 40 DEAB O=C(NCCc1ccccc1)N(CCO)Cc1ccsc1 52121691 VSUPWINPMXWGCT-UHFFFAOYSA-N 304.415 2.495 0 40 DEAB O=C1c2ccc(Br)cc2C(=O)N1C[C@@H]1CCCO1 8434741 HWPJDDJDIBMYBF-VIFPVBQESA-N 310.147 2.224 0 40 DEAB NC(=O)[C@@H](NC(=O)c1ccc2ncsc2c1)c1ccccc1 12050469 IDSOTAOCDRNMKH-AWEZNQCLSA-N 311.366 2.253 0 40 DEAB CCCOc1ccc(CCC(=O)N2CCC[C@H]2C(=O)O)cc1 33451765 FYWNMBFPNYAJBX-HNNXBMFYSA-N 305.374 2.484 0 40 DEAB CCOc1ccccc1-c1noc(CN2CCC[C@H](O)C2)n1 22383527 HTLNPVMSZHRXEI-LBPRGKRZSA-N 303.362 2.092 0 40 DEAB O=C(Cc1ccccc1)NCCNC(=O)c1c[nH]c2ccccc12 12296528 UCIJWVACZMGDHP-UHFFFAOYSA-N 321.380 2.257 0 40 DEAB biogenic Cc1cccc(OC[C@H](C)NC(=O)NCCc2cnn(C)c2)c1 54616637 GDCUSYFNLSPNGP-AWEZNQCLSA-N 316.405 2.038 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@@H]2OCCN(C(C)C)[C@H]2C1 108534160 BZASJCBCULBUAS-KBPBESRZSA-N 308.447 2.380 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)OCc1ccc(F)cc1 1787445 JKELXLFNSNXMJE-UHFFFAOYSA-N 313.284 2.165 0 40 DEAB COc1ccc(C(=O)NCCCn2nc(C)cc2C)c(OC)c1 22412513 YNLMHYXQWBKPOD-UHFFFAOYSA-N 317.389 2.337 0 40 DEAB C[C@H](NC(=O)c1ccccc1N)c1ccc(-n2cncn2)cc1 10172378 YVEYGNLIBKHOTH-LBPRGKRZSA-N 307.357 2.341 0 40 DEAB CCCCCNC(=O)N1CCC(c2nnc3n2CCC3)CC1 58157558 YIZDVNSHXXERAC-UHFFFAOYSA-N 305.426 2.304 0 40 DEAB C[C@H](NC(=O)N1CCN(Cc2cccs2)CC1)[C@H]1CCCO1 44910470 QFPCGXBLRCLSGX-DZGCQCFKSA-N 323.462 2.143 0 40 DEAB Cc1noc(CCCC(=O)N2CCC[C@@H]2c2ccncc2)n1 44940016 GGCWHBYPGXPAKY-CQSZACIVSA-N 300.362 2.459 0 40 DEAB O=C(CN1CCC(N2CCCCC2)CC1)Nc1nccs1 58332346 HOPQRGVEGLGYHK-UHFFFAOYSA-N 308.451 2.032 0 40 DEAB O=c1[nH]nc(SCc2ccccc2F)n1C[C@H]1CCCO1 68904842 HDGYVPYKOSQRIW-LLVKDONJSA-N 309.366 2.182 0 40 DEAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nnc2ccccn12 48374441 PERZVWGXSGEVFW-SECBINFHSA-N 302.284 2.499 0 40 DEAB O=C(NCc1ccc(-n2cccn2)nc1)c1c(F)cccc1F 12823504 YOYGZNRIAKUYKG-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 5197479 WYTQNORNRTXLGU-LBPRGKRZSA-N 314.341 2.426 0 40 DEAB CCn1cnnc1CNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 65443892 JSYNIHGVCVRQDA-JTQLQIEISA-N 323.347 2.479 0 40 DEAB CCCCc1noc(CNc2ccc(-n3cnnn3)c(C)c2)n1 65553999 HWWWCGZEIVUCOS-UHFFFAOYSA-N 313.365 2.308 0 40 DEAB Cn1ncc2c(NCCNc3ccc4ccccc4n3)ncnc21 65562585 PAHAAVYJBCOHKF-UHFFFAOYSA-N 319.372 2.436 0 40 DEAB COc1ccc2cc(C(=O)N3CCC4(CC3)OCCO4)[nH]c2c1 5324062 UKYMEVODAXDZRM-UHFFFAOYSA-N 316.357 2.156 0 40 DEAB O=C(CNC(=O)c1cccs1)NCc1ccc(Cl)cc1 14239862 OPGFVHHIQJGHCJ-UHFFFAOYSA-N 308.790 2.448 0 40 DEAB Cn1ncc2c(N3CC=C(c4ccc(O)cc4)CC3)ncnc21 69570178 FDIARCDJORWZDA-UHFFFAOYSA-N 307.357 2.363 0 40 DEAB O=C(c1cccc(O)c1)N1CCN(C(=O)C2CCCCC2)CC1 69521204 JUSBDKBHIBCFSR-UHFFFAOYSA-N 316.401 2.257 0 40 DEAB O=C(COc1ccccc1F)NCC(=O)Nc1ccc(F)cc1 5860720 MFVRBRGENQRVHN-UHFFFAOYSA-N 320.295 2.099 0 40 DEAB CCn1nc(C)c(CNC(=O)NCCN2CCCC[C@H]2C)c1C 67015838 XUNFNXXVNUIMKO-CYBMUJFWSA-N 321.469 2.193 0 40 DEAB C[C@H](OCC1CC1)C(=O)NCCc1nc2cc(F)ccc2n1C 69696763 BNGTVOGSKNXBQS-NSHDSACASA-N 319.380 2.186 0 40 DEAB Cc1nnc2n1CCN(C(=O)Cc1csc3ccccc13)C2 69616417 IEJPQVIDJDVTGE-UHFFFAOYSA-N 312.398 2.386 0 40 DEAB Cc1cc(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)nc(C(C)C)n1 9050411 VIGQSUCHFRWZEJ-JSGCOSHPSA-N 302.422 2.213 0 40 DEAB CC(C)n1nnnc1-c1ccccc1NC(=O)[C@@H]1CCCOC1 96010225 KQPHCQRHRDELIH-GFCCVEGCSA-N 315.377 2.286 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)cc1Cl 9314676 OPDYELCWRMFXFQ-UHFFFAOYSA-N 300.761 2.466 0 40 DEAB NC(=O)c1ccc(O[C@@H]2CCCN(c3ccccc3)C2=O)cc1 72286190 LGACACYZRPZLCY-MRXNPFEDSA-N 310.353 2.360 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(Br)cc2)C1)N1CCC1 71799675 OQTDRGSQLSBSDY-GFCCVEGCSA-N 324.222 2.443 0 40 DEAB Cc1ccc(CC(=O)N2CCCN(c3nccs3)CC2)cn1 71830708 JWTBWWZLPABIFB-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccco2)CC1 71835176 JPRXLTLJUQTVCN-CABCVRRESA-N 300.358 2.321 0 40 DEAB CO[C@H](C)C(=O)N(CC(=O)N1CCCCC1)c1ccc(C)cc1 71894252 FQKJNEBZBTYERN-OAHLLOKOSA-N 318.417 2.375 0 40 DEAB CC(C)(C)C[C@@H](NC(=O)N[C@H]1CCCCNC1=O)C(F)(F)F 97046714 MQYJUSGZYXBFHY-VHSXEESVSA-N 323.359 2.321 0 40 DEAB CN(C)c1nc(COc2cccc(C(=O)NC3CC3)c2)ns1 83855410 FLZFHHIVUVSDJB-UHFFFAOYSA-N 318.402 2.075 0 40 DEAB Cc1noc(CCN[C@@H]2C[C@@H](C)CN(Cc3ccccc3)C2)n1 97095426 AUKORDGPVITEPL-RHSMWYFYSA-N 314.433 2.421 0 40 DEAB O=C1NCCN(C(=O)C2CC=CC2)[C@@H]1c1ccccc1Cl 97086591 ZTTOKCPGFMLGAY-CQSZACIVSA-N 304.777 2.306 0 40 DEAB C[C@H]1CC/C(=C\C(=O)NCCc2nnc3n2CCCCC3)C1 79056698 HJAPQNSUKPXSDS-REQDGWNSSA-N 302.422 2.410 0 40 DEAB CC(C)COc1ccc(C(=O)N[C@H]2CCc3nccn3C2)cn1 97197425 LBHLVGQNXPIOOV-AWEZNQCLSA-N 314.389 2.058 0 40 DEAB COC(=O)[C@@H](C)CN(Cc1ccccc1)Cc1cncn1C 72312075 HUUIUNQJLWAXMW-AWEZNQCLSA-N 301.390 2.231 0 40 DEAB O=C(NCCc1nc[nH]n1)c1csc(-c2ccc(F)cc2)n1 84421638 HZFWKYLNGNVPNP-UHFFFAOYSA-N 317.349 2.040 0 40 DEAB O=C1C[C@H](CNc2nc3ccccc3c(=O)[nH]2)c2ccccc2N1 84585370 GEFHIIRMDOOOJW-LLVKDONJSA-N 320.352 2.461 0 40 DEAB O=[S@](Cc1csc(-c2ncccn2)n1)C[C@H]1CCCCO1 84614856 LNWSJBHIXABYBG-GTJPDFRWSA-N 323.443 2.418 0 40 DEAB Cc1cc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)ncn1 95435222 AMHDQPFDCNCUAO-UHFFFAOYSA-N 309.373 2.366 0 40 DEAB COc1ccc(CNC(=O)CN[C@@H](C)c2nccs2)cc1 95459209 RWUKUQJHNXSXCE-NSHDSACASA-N 305.403 2.119 0 40 DEAB Cc1cnccc1CCNC(=O)Nc1cccc(-n2ccnn2)c1 95437963 XCUGXOSGBAFDMI-UHFFFAOYSA-N 322.372 2.335 0 40 DEAB Cc1ccc(CO)cc1NS(=O)(=O)c1cn(C(C)C)cn1 95435898 BYNJHGGHPOQDKE-UHFFFAOYSA-N 309.391 2.066 0 40 DEAB Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95996302 KCTJCCQVCRRALP-TZMCWYRMSA-N 322.453 2.473 0 40 DEAB COC(=O)C1(NCc2nnsc2Cl)CCC(C)CC1 95960377 ANNSNXBPJPBEJH-UHFFFAOYSA-N 303.815 2.403 0 40 DEAB CCCCCNC(=O)N(CCCC)[C@@H]1CCS(=O)(=O)C1 89487607 VUCBVXYCSAKSHB-CYBMUJFWSA-N 304.456 2.175 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2COc1ccccn1 306132429 LIMWXHNJBCCSGN-AWEZNQCLSA-N 304.390 2.124 0 40 DEAB COc1ccc2c(c1)C(=O)[C@H](N1C(=O)c3ccccc3C1=O)C2 34284361 NMAVIEJGHNHXRK-OAHLLOKOSA-N 307.305 2.099 0 40 DEAB Cn1cnnc1CCNC(=O)c1ccc(-c2ccc(F)cc2)o1 79001212 JUNHGAXCZSBENJ-UHFFFAOYSA-N 314.320 2.187 0 40 DEAB CCn1nc(C)c2nnn(Cc3cccc(Cl)c3)c(=O)c21 72265371 DCNYLXSDENDTMG-UHFFFAOYSA-N 303.753 2.018 0 40 DEAB CN(Cc1cc(-c2ccccc2)on1)Cc1cc2n(n1)CCNC2 72168183 KTTAOERLXDDXIR-UHFFFAOYSA-N 323.400 2.273 0 40 DEAB COc1ccc2oc(CNC(=O)c3cccc4ccnn34)nc2c1 72158296 LMDYOUWQGJVGLO-UHFFFAOYSA-N 322.324 2.414 0 40 DEAB COC(=O)[C@H](Sc1nc2nc(C)cc(C)n2n1)C(C)(C)C 521394982 KUZICXDHSJWOLT-JTQLQIEISA-N 308.407 2.421 0 40 DEAB COC(=O)c1scc(S(=O)(=O)c2ccc(C)cc2)c1N 40478921 LBKQBJQNOFGWTI-UHFFFAOYSA-N 311.384 2.258 0 40 DEAB C/C(=C/C(=O)N(C)CCN1CCCC1=O)c1ccc(F)cc1F 84763486 WXYPLMTYLXADSG-BENRWUELSA-N 322.355 2.449 0 40 DEAB CC[C@@H](NC(=O)N[C@@H](C)C(=O)N(C)C)c1ccc(F)cc1F 96415289 CDTQYPZTMCIMCY-TVQRCGJNSA-N 313.348 2.192 0 40 DEAB Cc1ccc(CCNC(=O)c2cnn(-c3ccncc3)c2C)cn1 90596640 RKAIJPZHRRMNPU-UHFFFAOYSA-N 321.384 2.252 0 40 DEAB COc1ccccc1[C@H]1CCN(C(=O)[C@@H](N)CCSC)C1 96481283 NFVIOLJISJXWTD-JSGCOSHPSA-N 308.447 2.092 0 40 DEAB CCOc1ccc(S(=O)(=O)Cc2nnc(C3CC3)n2C)cc1 96490348 SSZGTRMCKXUBBM-UHFFFAOYSA-N 321.402 2.065 0 40 DEAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@H]2OCCc3ccccc32)n1 97229493 JQDPXRZITPQYDP-DYVFJYSZSA-N 313.401 2.319 0 40 DEAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCC2)c1nnc2ccccn12 95477865 OGPCENPOYDHKJO-GFCCVEGCSA-N 322.368 2.084 0 40 DEAB Cc1ccc([C@H]2C[C@@H]2C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)s1 96403402 NVAHRGXAARJJMX-SDDRHHMPSA-N 318.398 2.406 0 40 DEAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)NC(C)C)n1 96184770 WGWOFAQODLDBNN-JKSUJKDBSA-N 302.422 2.157 0 40 DEAB CC(=O)Nc1cccc(CNC(=O)N(C)Cc2cccnc2)c1 96405210 IYKGUJVASNVSDG-UHFFFAOYSA-N 312.373 2.382 0 40 DEAB CCN(CC)[C@@H]1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)C1 96439330 BHKGLOWGNHMNOH-GDBMZVCRSA-N 321.469 2.014 0 40 DEAB C[C@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@@H](C)O1 91921478 MYFLXYLHDPJBBF-OKILXGFUSA-N 306.406 2.127 0 40 DEAB Cc1noc(C)c1CN1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041584 YVAKUFSMNUGEIO-GVDBMIGSSA-N 306.406 2.450 0 40 DEAB CCn1nnnc1-c1cccc(NC(=O)COC2CCCC2)c1 96413951 FJCZBLFZEPKBET-UHFFFAOYSA-N 315.377 2.258 0 40 DEAB Cc1nccc([C@@H]2CCCN(Cc3cnc(N(C)C)nc3)C2)n1 257331325 XSJQOEZJAWYBNL-OAHLLOKOSA-N 312.421 2.021 0 40 DEAB Nc1nccc(NCc2ccc(-c3ccccc3C(=O)O)cn2)n1 257219067 DFMHUNFGAGGWOI-UHFFFAOYSA-N 321.340 2.431 0 40 DEAB Cc1cnc(C2(C)CCN(C(=O)c3cccnn3)CC2)s1 257274319 NKLYDRQNVULNII-UHFFFAOYSA-N 302.403 2.435 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257310724 UGGUISXJGSNRRG-GFCCVEGCSA-N 309.373 2.381 0 40 DEAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(S(=O)(=O)C(C)C)C[C@@H]21 257314981 UZKCVSSLOPEHJH-IJEWVQPXSA-N 324.446 2.217 0 40 DEAB CN1CCC(Cc2cncc(-c3cncc(C(=O)O)c3)n2)CC1 257230242 GBKPOWZVQQCBQD-UHFFFAOYSA-N 312.373 2.121 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)Nc1cnc(-n2cccn2)nc1 85470375 IWBXXTRCPUNWAM-UHFFFAOYSA-N 318.340 2.325 0 40 DEAB COC[C@H]1CN(C)CC12CCN(Cc1cccc(C)n1)CC2 585103469 PEGPXURIHNHILS-MRXNPFEDSA-N 303.450 2.180 0 40 DEAB CCn1cc(CN2CC[C@](O)(COc3ccc(C)cc3)C2)cn1 585269436 UHMTYPQZHOHUNR-GOSISDBHSA-N 315.417 2.227 0 40 DEAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cc(Cl)c(Cl)n1C 44955735 ZIWXLHJNZHVMOP-VIFPVBQESA-N 320.220 2.222 0 40 DEAB CC(C)[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)N(C)C 57265682 FWTBMFHSDFBTAN-LBPRGKRZSA-N 323.397 2.006 0 40 DEAB CC[C@@H](c1ccccc1)N1CCC[C@H](CNS(C)(=O)=O)C1 58201272 UZQNSJGOOZGFEN-ZBFHGGJFSA-N 310.463 2.399 0 40 DEAB Cc1cc(NC(=O)N2CCC[C@H]2CN2C[C@H](C)O[C@H](C)C2)no1 58018903 GGKUDTDTGAUETD-MJBXVCDLSA-N 322.409 2.089 0 40 DEAB COc1ccc2c(c1)cc(C)c1nn(Cc3ccncc3)c(=O)n12 12117629 INTDLFHQNMATFG-UHFFFAOYSA-N 320.352 2.410 0 40 DEAB COc1ccccc1[C@@]1(O)CCCN(C(=O)[C@]2(C)CCCO2)C1 12290444 QYGINBXXTOHLLW-ZWKOTPCHSA-N 319.401 2.074 0 40 DEAB Cc1cccc(NC(=O)CNC(=O)c2ccccc2Cl)n1 15940804 ATXFZMKXWXEKMF-UHFFFAOYSA-N 303.749 2.412 0 40 DEAB CC(=O)N1CCC[C@@H](c2[nH]c3cccnc3c2CN(C)C)C1 19016941 ZAFAKAATFQCINM-CYBMUJFWSA-N 300.406 2.350 0 40 DEAB COCCNC(=O)N1CC(Oc2nc3c(C)cccc3s2)C1 206658598 YPSHPDNKGLMMHL-UHFFFAOYSA-N 321.402 2.024 0 40 DEAB COc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CC=CCC2)C1 225494807 BNJLHODXHXXOHT-KBPBESRZSA-N 317.389 2.211 0 40 DEAB Nn1c(Nc2ccccc2)nnc(/C=C/c2cccs2)c1=O 4277175 VDQXNJQECCFRNU-CMDGGOBGSA-N 311.370 2.328 0 40 DEAB O=C(O)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)o1 8702274 VRQMBWNOAKDTEP-UHFFFAOYSA-N 304.321 2.439 0 40 DEAB Clc1cnc(N2CC[C@@H]3CN(c4ccccn4)C[C@H]32)nc1 1889082793 YXCHIBHNARUSME-DGCLKSJQSA-N 301.781 2.240 0 40 DEAB NC(=O)c1cc(OC2CN(Cc3ccc(Cl)s3)C2)ccn1 1889108855 RAYLRPAQKFZVBW-UHFFFAOYSA-N 323.805 2.159 0 40 DEAB CCOc1ccc([C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 29773856 DHBKGFKDRHWGJI-BLLLJJGKSA-N 306.406 2.423 0 40 DEAB CN1CCCC[C@]2(CN(Cc3ccccc3F)CCO2)C1=O 2037980843 JZWLBCYTYIDXLK-KRWDZBQOSA-N 306.381 2.039 0 40 DEAB CC(C)(CNC(=O)C(=O)NCc1ccco1)c1ccsc1 1565519353 OELZWNXLSLPNDR-UHFFFAOYSA-N 306.387 2.051 0 40 DEAB CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCCO2 4281776 IQIRYQWDEYYMMY-UHFFFAOYSA-N 318.354 2.131 0 40 DEAB CCOC(=O)c1cnc2ccc(OC)cc2c1NCCN(C)C 71612 OJNBMRKVUUJXRF-UHFFFAOYSA-N 317.389 2.394 0 40 DEAB C[C@H](CN1CCCC1=O)NCc1cc(Cl)c2c(c1)OCCO2 40153164 XYSJOSYXJUHLKE-LLVKDONJSA-N 324.808 2.212 0 40 DEAB CC(=O)N[C@@H](CC(=O)Nc1cc(C)nn1C)c1ccc(C)cc1 40512271 BOTBZLNDSIPXEG-HNNXBMFYSA-N 314.389 2.243 0 40 DEAB C[C@H](OCC(F)(F)F)C(=O)NC[C@@H]1COc2ccccc2C1 40523538 HJFRRKBHWUORFV-WDEREUQCSA-N 317.307 2.321 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@H](C)Oc2ccccc2F)c(=O)[nH]1 29009551 FBABAPZYLDXUPI-LBPRGKRZSA-N 318.348 2.215 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 32074959 YZIGECJNAJYXAG-LLVKDONJSA-N 319.361 2.269 0 40 DEAB Cc1cnn(C[C@H]2CN(c3ncnc4ccsc34)CCO2)c1 69451517 MFWRSMCXXJSPOG-GFCCVEGCSA-N 315.402 2.102 0 40 DEAB Cc1cc(C)n2nc(CC(=O)NC3CCCCCC3)nc2n1 217050 HNSWPNGRQBLKJI-UHFFFAOYSA-N 301.394 2.123 0 40 DEAB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1F)CC(=O)N2 4944208 OKYWBFTWLLJAOZ-SECBINFHSA-N 319.361 2.495 0 40 DEAB C[C@H](Sc1nncn1C)C(=O)N1c2ccccc2C[C@@H]1C 6063386 KXTZZQMVVCOILU-QWRGUYRKSA-N 302.403 2.274 0 40 DEAB O=C(NCc1cccc(Cl)c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6730305 XVVWNLCXRSGHSB-XWUBHJNHSA-N 305.761 2.479 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2=O)c(OC(F)F)c1 6922583 YGPJYSBLOZEZIL-NIFPGPBJSA-N 323.295 2.263 0 40 DEAB CC(C)OCCCNC(=O)c1ccc(N2CCOCC2)cc1 7504734 VEOWWMCCCNHHIS-UHFFFAOYSA-N 306.406 2.068 0 40 DEAB CCC[C@@H]1NC(=O)N([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 8130782 LTZNWWADXRBLEN-CABZTGNLSA-N 323.780 2.388 0 40 DEAB CN(Cc1ccc(Br)cc1)C(=O)c1ccc(=O)[nH]c1 32962308 VTZREZUGYMKYBW-UHFFFAOYSA-N 321.174 2.410 0 40 DEAB CCCCNC(=O)CN1CCN(CCCc2ccccc2)CC1 53098683 HMVJHEDGHCTQIU-UHFFFAOYSA-N 317.477 2.153 0 40 DEAB C[C@@H](NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1)c1ccco1 22544410 XDYHKXBASQCONC-MWLCHTKSSA-N 322.390 2.219 0 40 DEAB CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)n1cnnn1 24354339 MFQIFYXEGZVAEI-QGZVFWFLSA-N 321.384 2.116 0 40 DEAB COc1ccc2ccc(OC(=O)CN3CSCC3=O)cc2c1 25727989 FNIDQQRUMTUYEH-UHFFFAOYSA-N 317.366 2.287 0 40 DEAB Cc1ccc(-c2nsc(C(=O)N3CCN(C)CC3)c2N)cc1 62007067 IALOOZKGWJQFKW-UHFFFAOYSA-N 316.430 2.088 0 40 DEAB CCN(CC)CCn1cc(NC(=O)c2ccccc2O)cn1 58180431 XURRASLDQYDNPP-UHFFFAOYSA-N 302.378 2.183 0 40 DEAB COCCn1nc(C)c(CNC(=O)c2cc(C)ccc2O)c1C 58159852 LWHMQBSBQARVSS-UHFFFAOYSA-N 317.389 2.090 0 40 DEAB CCN(C(=O)COc1cc(OC)ccc1C(N)=O)C1=CCCC1 44889511 JVWDOGFFGZFJIC-UHFFFAOYSA-N 318.373 2.089 0 40 DEAB COCCN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 44944322 YGIXDQCUKLTZJF-CYBMUJFWSA-N 316.279 2.119 0 40 DEAB C[C@@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 58412478 UAWAMZHSVATFRP-CYBMUJFWSA-N 321.852 2.377 0 40 DEAB CCOCCCNC(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 45118368 RTHHCYATDUXIFQ-CYBMUJFWSA-N 317.393 2.054 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccccn2)cc1 11026902 HMTLRLWQKRDLPM-NSHDSACASA-N 312.325 2.468 0 40 DEAB CC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 39977561 IHDBJCLLLQSIFW-GJZGRUSLSA-N 324.808 2.203 0 40 DEAB CSCC[C@H]1NC(=O)N(Cc2cc(-c3ccco3)on2)C1=O 13988137 JIURXXWVPVQXQJ-SNVBAGLBSA-N 321.358 2.108 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(=O)ccn2C2CC2)C1 69899040 VGUMOVRVMIVHEN-RYUDHWBXSA-N 321.446 2.175 0 40 DEAB C[C@H]1CCCN(CC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 14138076 ULNVSILHVJHWQS-AWEZNQCLSA-N 315.417 2.484 0 40 DEAB CCn1ncc(N2CCN(c3ccccc3)CC2)c(Cl)c1=O 6669989 IQKJDCYDSVYRMW-UHFFFAOYSA-N 318.808 2.243 0 40 DEAB NC(=O)c1ccc(NC(=O)COC(=O)CC2CCCCC2)cc1 6946467 ZZVGZRMBLLTWFW-UHFFFAOYSA-N 318.373 2.238 0 40 DEAB COc1ccc(-c2noc(CN3C[C@H](C)O[C@H](C)C3)n2)cc1 15255149 ZOMYHFAGIMKFOT-TXEJJXNPSA-N 303.362 2.354 0 40 DEAB CC(C)(C)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1N 7062540 IXYFSUFNGRNWRV-UHFFFAOYSA-N 318.295 2.359 0 40 DEAB O=C(Cc1ccc(Cl)cc1)NCc1nnc2ccccn12 7898606 RMJNVNZDQKUIHA-UHFFFAOYSA-N 300.749 2.242 0 40 DEAB C/C=C/c1ccc(OCC(=O)NC2=NCCS2)c(OC)c1 9049374 VXAIOWNVVCEDQI-ONEGZZNKSA-N 306.387 2.326 0 40 DEAB CC1(C)OC(=O)C[C@H]1C(=O)Nc1nc(-c2ccccn2)cs1 96117819 IKUKUQXIJZJZTI-VIFPVBQESA-N 317.370 2.485 0 40 DEAB CC(C)(C)OC(=O)N1CC2(CNC(=O)[C@H]2c2ccccc2)C1 91303120 HUBUYYQIARIBBA-CYBMUJFWSA-N 302.374 2.137 0 40 DEAB in-vitro COC(=O)[C@@H]1CN(C(=O)c2cccs2)c2ccccc2O1 16806526 GZKPEBMQCIPZGK-LBPRGKRZSA-N 303.339 2.329 0 40 DEAB CNC(=O)c1sc2nc(Cc3ccccc3)[nH]c(=O)c2c1C 9364341 PJGMPADANDGFRH-UHFFFAOYSA-N 313.382 2.243 0 40 DEAB CC(=O)c1c(F)cccc1N(C)CC(=O)NCC(F)(F)F 83815618 BZGWVFVNUFHAFK-UHFFFAOYSA-N 306.259 2.143 0 40 DEAB CC[C@@H](c1ccc(F)cc1)N1CCC[C@H](NS(C)(=O)=O)C1 71915627 WHWRQAVLLOSISM-GJZGRUSLSA-N 314.426 2.290 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@@H]2SCCc3sccc32)CC1 89930528 BMTGZTBKMNMUBG-CQSZACIVSA-N 324.471 2.159 0 40 DEAB C[C@@H]1OCC[C@@H]1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 97038971 VTZGBBJFVHJVAG-QCZZGDTMSA-N 312.772 2.351 0 40 DEAB CCOc1cccc(CS(=O)(=O)c2ccccc2OC)n1 97085296 RFPLBZQNJPUZGX-UHFFFAOYSA-N 307.371 2.463 0 40 DEAB CCCc1nnc(N[C@@H]2CCCn3nc(COC)nc32)s1 89960590 NCDQSJCEJLVONL-SECBINFHSA-N 308.411 2.176 0 40 DEAB COc1ccc(/C=C/C(=O)N(C)CCCC(=O)O)cc1OC 72274556 PCAQIENUOIJNQQ-VQHVLOKHSA-N 307.346 2.040 0 40 DEAB Cc1c[nH]c(=O)n1-c1cccc(NC(=O)NCc2ccncc2)c1 75583971 JKWUCODGKNTFFF-UHFFFAOYSA-N 323.356 2.191 0 40 DEAB Cc1cnc(CN(Cc2c(C)noc2C)[C@H]2CCN(C)C2)o1 84259294 ADKVZOMLOZNSOF-AWEZNQCLSA-N 304.394 2.294 0 40 DEAB CC(=O)Nc1ccccc1CN1CCN(Cc2ccncc2)CC1 97139013 WEXVQVFMXDPNSF-UHFFFAOYSA-N 324.428 2.358 0 40 DEAB Cc1cc(C)n2c(CNc3ccc4c(c3)OCC(=O)N4)cnc2n1 97113747 VEPYJWJDBZWGGN-UHFFFAOYSA-N 323.356 2.289 0 40 DEAB Cn1c(CN2CCC[C@H]2c2noc(C3CC3)n2)nnc1C1CC1 72300056 PNCFPVAAOLTOBO-LBPRGKRZSA-N 314.393 2.290 0 40 DEAB Cn1cc(C2CCN(C[C@@H](O)c3ccc(F)cc3)CC2)cn1 97203073 CJQPJGPNABHQPU-QGZVFWFLSA-N 303.381 2.472 0 40 DEAB CCN(CC)CCCNS(=O)(=O)c1cc(C)ccc1OC 72414626 LOPHHVPQDXIIIQ-UHFFFAOYSA-N 314.451 2.014 0 40 DEAB CC(C)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 84597489 KADANQGNGMSPQE-OAHLLOKOSA-N 311.470 2.412 0 40 DEAB Cc1cc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c(C)o1 76496607 RAUNUDLADFVDQQ-UONOGXRCSA-N 313.419 2.324 0 40 DEAB COc1ccc(Br)c(CC(=O)Nc2cn[nH]c2)c1 95426793 RJRGMDLSONRKEQ-UHFFFAOYSA-N 310.151 2.362 0 40 DEAB O=C1C[C@H](C(=O)NCC2(c3ccccc3Cl)CCC2)CN1 95453413 AJGPKMQBDHPLBT-NSHDSACASA-N 306.793 2.014 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)CC(=O)O 95425019 NCUDCHCCNNQQIR-SNVBAGLBSA-N 302.330 2.172 0 40 DEAB O[C@@H](COCc1ccccc1)CN1CCC[C@H](c2ncc[nH]2)C1 95972691 NFHOOECITZZHNY-DLBZAZTESA-N 315.417 2.167 0 40 DEAB O=C(CN1CCC(C(F)(F)F)CC1)NC[C@@H]1CCCS1 95993040 ONRBMPMXXHKNBG-NSHDSACASA-N 310.385 2.273 0 40 DEAB C[C@@H](NCc1cccc2c1OCO2)c1nnc2n1CCCC2 78880198 JTULBHOBBUGIGA-LLVKDONJSA-N 300.362 2.194 0 40 DEAB CCc1nsc(N2CCN(Cc3cccc(O)c3)CC2)n1 78968269 CWEQSBZZIFOLCF-UHFFFAOYSA-N 304.419 2.128 0 40 DEAB O=C(NC1CCOCC1)c1nn(-c2ccccc2)c2c1CCC2 79023004 SPWKBHFVNUGWON-UHFFFAOYSA-N 311.385 2.270 0 40 DEAB CCOCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408708185 VPZAUEHGQSFCRU-UHFFFAOYSA-N 312.454 2.250 0 40 DEAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccccn2)CC1 67802888 IMLVTLZWURWSDF-UHFFFAOYSA-N 319.405 2.459 0 40 DEAB O=C(CC1(Cn2cnnn2)CCCCC1)N1CCCCCC1 36359939 WBDIWLOTCKPZDV-UHFFFAOYSA-N 305.426 2.416 0 40 DEAB O=C1NC(=O)[C@H](Cc2ccc(O)c(Br)c2)S1 218824096 VNTSHQHJVZCMIK-QMMMGPOBSA-N 302.149 2.049 0 40 DEAB Cc1cccc([C@@H](C)N2CCCN(CC(=O)N(C)C)CC2)c1 72561813 HDYCJTUWDJKOHL-MRXNPFEDSA-N 303.450 2.152 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2ncc[nH]2)c(C)n1[C@H]1CCOC1 529412940 KKGORFCTBTVJOS-YPMHNXCESA-N 302.378 2.280 0 40 DEAB CC(C)c1nccn1CCC(=O)N1CCC2(CC1)OC[C@@H](C)O2 73855849 UVCHRHLMXAOPMN-CQSZACIVSA-N 321.421 2.151 0 40 DEAB NC(=O)CN1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 72383611 BRPONZKPWHGWDA-ZDUSSCGKSA-N 316.336 2.030 0 40 DEAB O=C(NC[C@@H](c1ccccc1)N1CCCCC1)c1csnn1 32497961 MVZYLPAYPIOWIR-HNNXBMFYSA-N 316.430 2.495 0 40 DEAB Cc1n[nH]cc1C1CCN(C(=O)c2nn(C)c(C)c2Cl)CC1 566003986 YMMQRVHHIYXOTD-UHFFFAOYSA-N 321.812 2.433 0 40 DEAB O=C(NCc1nc(-c2ccncc2)no1)NC1CCCCC1 77826845 LBFHMKOWFDXQHF-UHFFFAOYSA-N 301.350 2.264 0 40 DEAB C[C@@H](C(=O)NCc1cccs1)S(=O)(=O)C1CCCC1 76585293 MPEVQFBSPLSBRI-JTQLQIEISA-N 301.433 2.110 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)[C@@H]1CC=CCC1 521396405 VCTOHIGPOYGTAT-MQYQWHSLSA-N 306.406 2.467 0 40 DEAB C[C@@H](NCc1csnn1)c1nc(Cc2ccccc2)no1 191600049 RNDSQTFQZDWQCA-SNVBAGLBSA-N 301.375 2.363 0 40 DEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 81238765 LGVQGQYVQSZEBD-UONOGXRCSA-N 317.433 2.495 0 40 DEAB CC(C)C[C@H]1OCCC[C@H]1NC(=O)[C@@H](O)Cc1ccccc1 331047270 GYNCPISWTHQYPY-IXDOHACOSA-N 305.418 2.300 0 40 DEAB Cn1nc(CNC(=O)Cc2ccccc2Cl)c2c1CCOC2 96103982 IHWXKPXOFNKNNS-UHFFFAOYSA-N 319.792 2.005 0 40 DEAB CC(=O)c1cc(C(=O)OCc2ncn(-c3ccccc3)n2)n(C)c1 96490224 BDJABQXVUPIEGJ-UHFFFAOYSA-N 324.340 2.165 0 40 DEAB CNS(=O)(=O)CCCN1CCCCC[C@@H]1c1ccc(C)o1 96415016 RIFAMXIPNDJRAK-CQSZACIVSA-N 314.451 2.444 0 40 DEAB CN1CC[C@@H](NC(=O)C2(O)CCCC2)[C@@H]1c1ccc(F)c(F)c1 96487297 ACYVAEANKNRKDH-CABCVRRESA-N 324.371 2.131 0 40 DEAB c1coc(-c2noc(CN3CCO[C@H](c4nccs4)C3)n2)c1 97199873 RSBLCORZOBITDL-NSHDSACASA-N 318.358 2.360 0 40 DEAB C[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(C)(C)C 95397596 KTJKYAISSLMVMD-QWHCGFSZSA-N 317.433 2.163 0 40 DEAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1sccc1C)CC[C@H]2OC 96110974 DNHAKQNVJPCVCQ-BFHYXJOUSA-N 308.447 2.238 0 40 DEAB CN1C(=O)CC2(CCN(Cc3cnn(C)c3)CC2)c2ccccc21 96243945 WUBQGWAPJBETHJ-UHFFFAOYSA-N 324.428 2.320 0 40 DEAB CCS[C@H]1CCCC[C@H]1NC(=O)NCc1nncn1CC 96455574 SPRYYLOTRASQOR-NEPJUHHUSA-N 311.455 2.162 0 40 DEAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1ccc(C)c(C)c1)C2 248151364 UFPHUJVINAKFEE-INIZCTEOSA-N 316.445 2.486 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cc(OC)ccn1 247924188 YTMIUWIGVHFPAX-WQVCFCJDSA-N 304.390 2.396 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)C2CCN(C(C)C)CC2)C1 257271979 NAOMFMNNMHVLCM-HNNXBMFYSA-N 304.438 2.154 0 40 DEAB Cc1nc(O)cc([C@@H]2CN(Cc3ccc(C)s3)CCO2)n1 257291491 QHDYLLWQXAUZKH-AWEZNQCLSA-N 305.403 2.434 0 40 DEAB C[C@@H]1C[C@H](C(=O)O)CN(Cc2cc3ccccc3nc2O)C1 263012793 CEFBWUGINWPQEX-RISCZKNCSA-N 300.358 2.483 0 40 DEAB O=C1Nc2ccccc2CC[C@H]1N1CCC(O)(C(F)F)CC1 390833692 LMWNUWVOPZEWEQ-CYBMUJFWSA-N 310.344 2.032 0 40 DEAB Cc1ccc(C(=O)N2CCN(c3ncns3)CC2)c(Cl)c1 571073536 JNVRKRTYYZLAPI-UHFFFAOYSA-N 322.821 2.462 0 40 DEAB OC[C@@H]1CCn2cncc2CN1Cc1ccc(Cl)c(F)c1 585098625 ZSUITLAEGSIUTH-LBPRGKRZSA-N 309.772 2.442 0 40 DEAB Nc1ncccc1C(=O)NCc1cccc(Br)c1 50710998 APPWRPZLFRJQDW-UHFFFAOYSA-N 306.163 2.356 0 40 DEAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)CSCC(N)=O 71851756 GYTUDPMDJIFNCT-UHFFFAOYSA-N 306.431 2.092 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)c2cccc3c2OCCO3)cn1 71876629 ISEXMXUQDLJIGW-CQSZACIVSA-N 313.357 2.169 0 40 DEAB CCC(=O)N1CC[C@H](N[C@@H](C)c2nc(CC)no2)[C@@H](CC)C1 83830482 NCKXJDBNIRLZBN-AVGNSLFASA-N 308.426 2.320 0 40 DEAB NC(=O)N1CCC[C@H](Nc2ccnc(Cc3ccccc3)n2)C1 97379172 MBQZNWCWBVDVGH-AWEZNQCLSA-N 311.389 2.022 0 40 DEAB COC(=O)[C@H](C)n1c(S[C@H](C)C(=O)OC)nc2ccccc21 5387116 RLBOBWWYCNIGEY-VHSXEESVSA-N 322.386 2.424 0 40 DEAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cccn1C 12937327 GIRWNIMEHZJEPD-UHFFFAOYSA-N 321.327 2.404 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 17054308 YNTFPZKHCJCOIL-SLZITWOASA-N 317.385 2.359 0 40 DEAB COC(=O)c1cc(CNC(=O)c2ccoc2C)ccc1OC 18069511 HBPCOSWJOFENJB-UHFFFAOYSA-N 303.314 2.313 0 40 DEAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCCn3ccnc3)c2C1 19082438 UHJXITGJPHNXLS-GFCCVEGCSA-N 316.405 2.452 0 40 DEAB O=C(c1cccnc1)N1CCO[C@H](Cc2ccc(F)cc2)C1 607855072 JJRXWJBIMFUBEA-MRXNPFEDSA-N 300.333 2.304 0 40 DEAB Cn1cnnc1CN1CCC(COc2ccncc2Cl)CC1 1848574893 MJNXIJMJYPMKOG-UHFFFAOYSA-N 321.812 2.155 0 40 DEAB Cc1ccc(N2C(=O)C(=O)N(Cc3cc(C)no3)C2=O)c(C)c1 27284175 IVZLVIRDSVDYKY-UHFFFAOYSA-N 313.313 2.095 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)CCOc2ccccc2Cl)C1 37436053 BHGIWGAQAWHRSD-LLVKDONJSA-N 311.765 2.432 0 40 DEAB c1cnc(N2CCC3(CC2)CO[C@H](Cc2cccnc2)C3)nc1 2037784288 ZLVLUUMAGIEKJY-MRXNPFEDSA-N 310.401 2.490 0 40 DEAB Cc1cc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)n(C)n1 13614489 RESVJDUMKZQMKH-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1ccc(Cl)cc1 13793867 FBXVPVKBMLOPAH-LBPRGKRZSA-N 316.810 2.093 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(-n2cnnn2)cc1 40023807 KRGZTTIGHNBCIA-BXUZGUMPSA-N 300.366 2.363 0 40 DEAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccccc1F 20119897 PMAXSLHIMVVJKS-UHFFFAOYSA-N 300.333 2.344 0 40 DEAB COc1ccc2c(c1)OC[C@H](C(=O)NCc1cscn1)C2 50403667 FKHBRRKLWBSSGF-LLVKDONJSA-N 304.371 2.019 0 40 DEAB CCn1nnc2cc(C(=O)NCCc3cccs3)ccc21 40457602 UMZOYESDAIYXHX-UHFFFAOYSA-N 300.387 2.485 0 40 DEAB Cc1ccc(-c2noc(CN3CCC(CO)CC3)n2)cc1F 40528290 OZSNQIOHOVURQE-UHFFFAOYSA-N 305.353 2.388 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@H](C)OC[C@@H]3C)cc(=O)oc12 40501458 GMVCBTVGLVQGID-QWRGUYRKSA-N 303.358 2.416 0 40 DEAB CC(C)c1noc(CN(C[C@H]2CCCO2)C[C@H]2CCCO2)n1 40540242 VTHZPFVDZFCMEE-ZIAGYGMSSA-N 309.410 2.353 0 40 DEAB CC[C@@H]1Oc2ccc(C)cc2N(CC(=O)N2CCCC2)C1=O 217822 OUAHEJLUNOKSDR-AWEZNQCLSA-N 302.374 2.121 0 40 DEAB COc1ccccc1OCC(=O)N1CCn2cccc2[C@@H]1C 29379203 AYXICPKUKMFXMV-ZDUSSCGKSA-N 300.358 2.479 0 40 DEAB COc1ccc2c(ccn2CC(=O)N[C@@H](CC(C)C)C(=O)O)c1 32124469 PBRWFEIWPOUCFN-AWEZNQCLSA-N 318.373 2.265 0 40 DEAB biogenic COC(=O)c1ccc(NC(=O)[C@@H]2COc3ccccc3O2)s1 8327184 QXUDJKWQSQGTJF-NSHDSACASA-N 319.338 2.313 0 40 DEAB O=C(/C=C/c1cccs1)NC1CCN(c2ncccn2)CC1 46597414 JBIPORRWNMSDLA-SNAWJCMRSA-N 314.414 2.337 0 40 DEAB CCCNC(=O)[C@@H](CCC)NC(=O)NCc1ccc(F)cc1 46629146 XTGJVSBDTUZUHY-CQSZACIVSA-N 309.385 2.320 0 40 DEAB CCn1c(=O)n(CC(=O)Nc2cccc(C)n2)c2ccccc21 10165709 ZFNNUAWYMOLEBK-UHFFFAOYSA-N 310.357 2.165 0 40 DEAB CN(C(=O)c1ccccc1N(C)S(C)(=O)=O)C1CCCCC1 55412355 FFFZEBCXHJDRSK-UHFFFAOYSA-N 324.446 2.487 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1 52781842 PPNRXPOJFYGYLM-SMDDNHRTSA-N 311.403 2.330 0 40 DEAB COc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)c(OC)c1 9876229 GFSUWWXKWYOCMW-GFCCVEGCSA-N 323.462 2.332 0 40 DEAB CCCc1n[nH]c(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 53683912 ZTIBJTVSKCRXMO-RYUDHWBXSA-N 324.450 2.019 0 40 DEAB O=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 23018097 CEFNQLJOMQJLQC-QGZVFWFLSA-N 302.418 2.194 0 40 DEAB Cn1cc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)cn1 24585337 DKCCXNSAOKZUQL-UHFFFAOYSA-N 320.736 2.010 0 40 DEAB CCn1c([C@H]2CCCN2C(=O)c2c[nH]nn2)nc2ccccc21 170634486 VEQUDVMTRLIIQQ-CQSZACIVSA-N 310.361 2.152 0 40 DEAB COc1ccc(Cl)cc1NC(=O)NCC(=O)N1CCCC1 43168954 JRFFCMLXKZVBAR-UHFFFAOYSA-N 311.769 2.093 0 40 DEAB Cc1ccc(S(=O)(=O)CCNC(=O)Cc2ccccc2)cc1 1382520 KKKUDMXVXZJSJM-UHFFFAOYSA-N 317.410 2.128 0 40 DEAB CCOc1ccc(N2C[C@H](C(=O)NCC(C)C)CC2=O)cc1 1459925 SDGCSZKFCGEDDK-CYBMUJFWSA-N 304.390 2.210 0 40 DEAB Cc1noc(COC(=O)CCc2nc(-c3ccccc3)no2)n1 25448340 GSSPQQRGZQSPSH-UHFFFAOYSA-N 314.301 2.104 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccccc1O 3245351 BAQOVKLYRZXWJG-UHFFFAOYSA-N 311.337 2.134 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCCN1CCOc1ccccc1 27141844 UCRVZUMMZDMVPZ-KRWDZBQOSA-N 314.385 2.439 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCCNC2=O)oc2c(Cl)cccc12 58181986 JWQFYTJFYJLVJO-LLVKDONJSA-N 306.749 2.403 0 40 DEAB CNC(=O)c1ccc(=O)n(Cc2csc(C(C)(C)C)n2)c1 58201644 DZYZQKSMGMKUNG-UHFFFAOYSA-N 305.403 2.010 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCCCn1cccn1 44968409 UCUSDXSEAFQZSW-GFCCVEGCSA-N 320.368 2.481 0 40 DEAB COCCOCCCNC(=O)c1cc2ccccc2c(OC)n1 58406212 LLQDFZBPDVYGSE-UHFFFAOYSA-N 318.373 2.026 0 40 DEAB O=C(O)C[C@@H]1CN(C(=O)c2csc3ccccc23)CCO1 91293589 AVTGWDOINRMVQJ-SNVBAGLBSA-N 305.355 2.217 0 40 DEAB O=C(COc1ccc2c(c1)OCO2)N1CCc2ccccc2C1 3345530 XUCZXWDLDMKCIT-UHFFFAOYSA-N 311.337 2.379 0 40 DEAB Cc1cccc(C(=O)OCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 11342422 IWZBBQYNEBZTBY-UHFFFAOYSA-N 310.309 2.204 0 40 DEAB CCn1ncc(C(=O)NCc2ccc(OC)c(OC)c2)c1C 28576822 NALLLKVGWIRTNO-UHFFFAOYSA-N 303.362 2.159 0 40 DEAB C[C@@H](c1nc(C(C)(C)C)no1)[S@@](=O)CC(=O)NC(C)(C)C 48311222 VNBMLIOXXUHAEF-JLTPVHFHSA-N 315.439 2.092 0 40 DEAB Cc1ccc(N2C(=O)C(=O)N(Cc3c(C)noc3C)C2=O)cc1 12806315 XOKBWRHMJOWFCG-UHFFFAOYSA-N 313.313 2.095 0 40 DEAB CC(C)(C)NC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F 3424947 FZXAFUOSMGTQQQ-UHFFFAOYSA-N 322.258 2.246 0 40 DEAB COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1-n1nnnc1C 69896502 NCEJBEKJSLPOIV-LBPRGKRZSA-N 313.361 2.274 0 40 DEAB CCCCN(CC(N)=O)C(=O)c1sccc1Br 48704699 QAHWAISMARNJHP-UHFFFAOYSA-N 319.224 2.238 0 40 DEAB O=C(COc1ccc(F)cc1)NCCc1ccc(C(=O)O)cc1 13442197 VZGQUQBAGUEHNW-UHFFFAOYSA-N 317.316 2.262 0 40 DEAB COc1ccc2c(c1)CCCN2C(=O)NCCCn1cccn1 65399413 CDIQHAKBFWNVRG-UHFFFAOYSA-N 314.389 2.444 0 40 DEAB Brc1cc(CN[C@@H]2CCc3ncnn3C2)cs1 69581885 ZNWBATJGKKMZSZ-SECBINFHSA-N 313.224 2.207 0 40 DEAB Cn1nc(CC(=O)OC[C@H]2CC=CCC2)c2ccccc2c1=O 65588390 QITZXCZCMZTGNW-ZDUSSCGKSA-N 312.369 2.376 0 40 DEAB Cc1cc(OCC(=O)Nc2nn3cnnc3s2)ccc1Cl 6784399 VUPIGIMKYBTTTI-UHFFFAOYSA-N 323.765 2.165 0 40 DEAB O=c1c2sccc2n2c(S)nnc2n1Cc1ccccc1 21729998 MRNAHARNHZTTHM-UHFFFAOYSA-N 314.395 2.443 0 40 DEAB CC(C)[C@@H](NC(N)=O)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 8705355 MQJVRJQYKCDDFE-AUUDPHHASA-N 321.465 2.400 0 40 DEAB Cc1cc(C)c2c(OCC(=O)NC3CCCC3)nn(C)c2n1 67788457 IUJGNQOVDMLMAY-UHFFFAOYSA-N 302.378 2.023 0 40 DEAB CCCN1CCN(C[C@@H](O)COc2ccc(C)cc2C)CC1 68047687 UYXZOWOSLXGWOY-QGZVFWFLSA-N 306.450 2.071 0 40 DEAB Cc1nn(C)c2ncc(C(=O)O[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)cc12 97002493 PPNKFOZSYHUNNE-FPMFFAJLSA-N 315.373 2.247 0 40 DEAB CC(=O)Nc1cccc(CN2CC[C@](O)(C(F)(F)F)C2)c1 97012418 BVZRAPCIDXGGAV-CYBMUJFWSA-N 302.296 2.144 0 40 DEAB O=C(O[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)c(F)c1 97032240 FFINZTJCPKIVDB-SECBINFHSA-N 306.742 2.213 0 40 DEAB Cc1csc(COC(=O)c2ccccc2-n2ccnn2)n1 97085692 SQUVEQKAPQLCSI-UHFFFAOYSA-N 300.343 2.389 0 40 DEAB CC(C)N1CCN(C(=O)[C@H](C)n2cnc3ccccc32)CC1 71825132 JMWGUDNYIFUZDH-AWEZNQCLSA-N 300.406 2.150 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[C@H]1CCCO1 71890131 NHPMHPZAZFVYJU-QWHCGFSZSA-N 312.410 2.023 0 40 DEAB C[C@H]1CCCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 71841911 NPLYVPSZZHFWHT-AWEZNQCLSA-N 316.401 2.451 0 40 DEAB CCOC(=O)CN(Cc1ccc(OC)c(OC)c1)C(=O)C(C)C 72295398 RUYRHWHHQNGFDD-UHFFFAOYSA-N 323.389 2.252 0 40 DEAB O=C(N1CCC[C@H](n2cncn2)C1)C1(c2cccc(F)c2)CC1 72286004 YMHFDOSHSMJYKL-HNNXBMFYSA-N 314.364 2.313 0 40 DEAB CC[C@H]1CCCC[C@@H]1NC(=O)NCCN1CCC(OC)CC1 89948264 MUJPOKXODISERW-HOCLYGCPSA-N 311.470 2.365 0 40 DEAB O=C(CCN1CCSC[C@H]1c1ccccc1)N1CCOCC1 75613212 DSWFATHUODZGNH-INIZCTEOSA-N 320.458 2.025 0 40 DEAB Cc1cc(F)ccc1C(=O)NCc1nnc(C2CCC2)n1C 97141932 ABWYYIATSVEJRJ-UHFFFAOYSA-N 302.353 2.460 0 40 DEAB NC(=O)c1ccc(CNCc2cnn(Cc3ccccc3)c2)cc1 97124906 XXTKZEOZRDVHTE-UHFFFAOYSA-N 320.396 2.320 0 40 DEAB COc1ccc(OC)c2c1cc(C(=O)NC[C@@H]1CCCO1)n2C 72401567 YGNIDOGZCCPTST-NSHDSACASA-N 318.373 2.104 0 40 DEAB CC[C@H](C)[C@H](C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 87898765 MQKNCEBTZGFFJS-CABZTGNLSA-N 312.435 2.115 0 40 DEAB Cn1cc(NC(=O)C[C@H]2CCOc3ccccc32)cc1C(N)=O 95398395 KMILFPYHUWQTPJ-LLVKDONJSA-N 313.357 2.019 0 40 DEAB COCCNC(=O)N[C@@H](CC1CCCCC1)c1ncccn1 95399562 CJAHYPPVTYTCAI-AWEZNQCLSA-N 306.410 2.434 0 40 DEAB C[C@H](NC(=O)NCC[C@H](C)[S@](C)=O)[C@@H]1COc2ccccc21 95437720 CEWAMPUSJVUINK-JCMIBGAMSA-N 324.446 2.007 0 40 DEAB O=C(CN1CCC(C(F)(F)F)CC1)NC[C@H]1CCCS1 95993039 ONRBMPMXXHKNBG-LLVKDONJSA-N 310.385 2.273 0 40 DEAB COc1c(CNC[C@H]2COC3(CCC(C)CC3)O2)c(C)nn1C 95991166 IONFSYZUBFHQPX-TVIZTDCDSA-N 323.437 2.149 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)N1CCC[C@@H]1CO 95984925 UPOSARGECZBGOI-CYBMUJFWSA-N 300.362 2.169 0 40 DEAB C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 78821782 PFCPUMQPFYFYLT-ONGXEEELSA-N 323.343 2.088 0 40 DEAB C[C@@H]1COC2(CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)O1 78846260 LMRDCQWSYNTMPM-MWLCHTKSSA-N 308.205 2.324 0 40 DEAB Cc1cccc(-c2ccc(C(=O)NC[C@@H]3CCOC3)c(=O)[nH]2)c1 75117624 XNJLNIKMIFDMFI-ZDUSSCGKSA-N 312.369 2.117 0 40 DEAB CCOC(=O)c1cc(NC(=O)CCc2c(C)nn(C)c2C)c[nH]1 75258966 UCRWXEQJHCOLLP-UHFFFAOYSA-N 318.377 2.113 0 40 DEAB C[C@H](NC(=O)c1csnn1)c1noc(Cc2ccccc2)n1 79621433 IHHGSZAANUHDNN-VIFPVBQESA-N 315.358 2.003 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1cccc(Cl)c1 409383375 WZAIVRPHXJPCDH-FJJYHAOUSA-N 307.733 2.323 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O 77939098 VLRZKMCOUDFVFE-SMDDNHRTSA-N 324.808 2.254 0 40 DEAB CS[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1 78917403 SCXOTMOEGIJXRB-NEPJUHHUSA-N 312.822 2.139 0 40 DEAB Cn1cccc(NC(=O)c2cccnc2N2CCCCC2)c1=O 79306758 MMNONHVIGMTYPW-UHFFFAOYSA-N 312.373 2.023 0 40 DEAB CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN1CCc1ccccc1 72351370 TZSXHFAPSLHDPO-MRXNPFEDSA-N 312.417 2.491 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN(C(=O)[C@H](C)N)C1 79415550 LVXROEGSEFOWCH-FUHWJXTLSA-N 317.477 2.483 0 40 DEAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3cncs3)C2)nn1 72387373 PMSJORVCPTZORL-NSHDSACASA-N 317.418 2.070 0 40 DEAB CC1(C)C[C@@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CO1 563585658 SPRXRZTVHWJRGQ-CVEARBPZSA-N 317.433 2.116 0 40 DEAB O=C(CCc1ccccc1)NCc1ccnc(N2CCCC2)n1 224198352 NZMCQHWWZQBNHX-UHFFFAOYSA-N 310.401 2.326 0 40 DEAB c1ncn(Cc2nnc(SC[C@@H]3CCC4(CCCC4)O3)o2)n1 195577439 BMJNPVXDNQIHOB-NSHDSACASA-N 321.406 2.293 0 40 DEAB CC(C)C(=O)Nc1cc(C(=O)Nc2cccc(F)c2)nn1C 46089032 HPVOMHMCHYPOHC-UHFFFAOYSA-N 304.325 2.406 0 40 DEAB CCOC(=O)c1ccc(N2CCC[C@H]2Cn2ccnc2C)nc1 225597246 HCUWKKBUIWZBHO-HNNXBMFYSA-N 314.389 2.432 0 40 DEAB O=C(NCCc1ccccn1)c1nnc2ccc(Cl)cc2n1 46088515 LHQSKHGAGQQGAU-UHFFFAOYSA-N 313.748 2.046 0 40 DEAB O=C1c2cnc(N3CCCC3)nc2CN1CCc1ccccc1 46088095 VYJUECRVPUXMGY-UHFFFAOYSA-N 308.385 2.275 0 40 DEAB CCc1nc(C)c(C(=O)N2CCC(c3ccnn3C)CC2)o1 328855628 XBXZCJWSPKIOFX-UHFFFAOYSA-N 302.378 2.299 0 40 DEAB O=C(NCc1ccco1)[C@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 96227199 SLRNZFBVDZNKRK-CRAIPNDOSA-N 316.401 2.325 0 40 DEAB c1coc(CN2CCn3cc(CN4CCCCC4)nc3C2)c1 96059400 KCTZFDOQZKVEAC-UHFFFAOYSA-N 300.406 2.478 0 40 DEAB COc1ccccc1C[C@H]1CCCN1Cn1nc(C)ccc1=O 96403710 UUFAGZYKXQFYAP-MRXNPFEDSA-N 313.401 2.225 0 40 DEAB O=C(C1=CCCC1)N1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042451 BLVINKHJKHRDIX-ZACQAIPSSA-N 314.385 2.329 0 40 DEAB Cc1cc(=NC[C@@H]2CC(=O)N(C3CC3)[C@H]2c2cccnc2)cc[nH]1 577725618 YXNDOJWSQVMPSY-KXBFYZLASA-N 322.412 2.371 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)[C@@H](C)c2cc3ccccc3o2)C1 96451362 FYNFBCLIEVUJDH-WCQYABFASA-N 316.357 2.493 0 40 DEAB C[C@@H](C(=O)NC[C@H](O)c1cccc(F)c1)N1CCCCCC1 96436248 ALYVNWIHNAWRDD-BBRMVZONSA-N 308.397 2.240 0 40 DEAB O[C@H](COCc1ccccc1)CN1CCC(c2cn[nH]c2)CC1 97200411 XUQTZCQOCSNYJR-SFHVURJKSA-N 315.417 2.167 0 40 DEAB O=C(NCC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 96038679 COPQEDPEPKHFKB-NVXWUHKLSA-N 320.458 2.255 0 40 DEAB CCn1cc(C(=O)OC2CCN(CC(F)(F)F)CC2)cn1 96446483 WMYXEMJGILEEOE-UHFFFAOYSA-N 305.300 2.087 0 40 DEAB CN(C)C(=O)CCNC(=O)Nc1ccc(CC(F)(F)F)cc1 96435238 DCVGCEWQDFAXIJ-UHFFFAOYSA-N 317.311 2.391 0 40 DEAB CC(C)NC(=O)N1CCC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1 96073729 RTSSCUNCZGDTKW-NVXWUHKLSA-N 318.421 2.235 0 40 DEAB COc1cccc(C[C@H](NC(=O)Cc2ccon2)C2CC2)c1 95440611 HRWXPZYTCJHANX-INIZCTEOSA-N 300.358 2.363 0 40 DEAB CN([C@@H]1[C@H]2CCO[C@H]2C1(C)C)S(=O)(=O)c1cccs1 245339269 ROWPCBZKWBEWOS-YUSALJHKSA-N 301.433 2.182 0 40 DEAB CNc1nccnc1[C@@H]1CN(CCc2ccc(F)cc2)CCO1 257276458 NTVCGRLNRDMYOC-HNNXBMFYSA-N 316.380 2.273 0 40 DEAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257220253 DKEPUFBGNGKNMX-LBPRGKRZSA-N 313.405 2.304 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCO[C@H](c2ccncc2)C1 257240590 HUFYNXRQOYKXEH-HNNXBMFYSA-N 308.341 2.172 0 40 DEAB COc1ccnnc1NC(=O)N[C@H](CCCO)c1ccccc1 585140066 YCPFIXSCDPBFFR-CYBMUJFWSA-N 316.361 2.121 0 40 DEAB Cc1cccc(CCNC(=O)CCS(=O)(=O)C2CCCC2)c1 58210829 VPWQRSWNYJIAPO-UHFFFAOYSA-N 323.458 2.401 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)N[C@H](C)Cn2ccnc2)c1 69488548 XCNYVKLJGCRCMR-OAHLLOKOSA-N 316.405 2.267 0 40 DEAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc(Cl)c1 69454753 CNDSYMCXIFVOTG-GFCCVEGCSA-N 312.822 2.333 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN2Cc2nc3ccccc3n2C)n1 69616365 MLADYRKOWXMNON-OAHLLOKOSA-N 324.432 2.446 0 40 DEAB CCOC(=O)CSc1n[nH]c(-c2cc(OC)cc(OC)c2)n1 5905406 WKDQZBSQBDTLKR-UHFFFAOYSA-N 323.374 2.144 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)COc1c(C)cc(C)cc1C 5937622 MXDOEDOLWQPUIG-UHFFFAOYSA-N 320.433 2.364 0 40 DEAB CCOC(=O)[C@H](C)n1nc(CC)n2c(cc3ccsc32)c1=O 12114262 XOZLZTOERDPKML-VIFPVBQESA-N 319.386 2.397 0 40 DEAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccccc3)N2)c1 14606989 YTPARIXRROLYGZ-HNNXBMFYSA-N 322.368 2.290 0 40 DEAB CN(CCN1CCCCC1)C(=O)c1cc(-c2cccnc2)[nH]n1 19657677 QCBAMQHYMWDMEI-UHFFFAOYSA-N 313.405 2.030 0 40 DEAB Cc1ccc2cccc(C(=O)N3CC[C@@H](n4ccnn4)C3)c2n1 206929561 LRWHXEZFXUCHGF-CQSZACIVSA-N 307.357 2.222 0 40 DEAB CCOC(=O)[C@H](CC)n1cnc2sc3c(c2c1=O)CCC3 196441 HDDABMXTYMTVMD-JTQLQIEISA-N 306.387 2.461 0 40 DEAB O=C(c1cccc2ccccc12)N1CC[C@H](N2C(=O)COC2=O)C1 225702352 BIUQHCBLCKBWBZ-ZDUSSCGKSA-N 324.336 2.033 0 40 DEAB O=C(Cn1ccc2ccccc21)Nc1ccc(-n2cnnn2)cc1 44442685 BYNSCQWAALRSJJ-UHFFFAOYSA-N 318.340 2.256 0 40 DEAB CC(C)CS(=O)(=O)CC(=O)NC1(c2ccccc2)CCC1 40548419 OVKATVFGUKAMJD-UHFFFAOYSA-N 309.431 2.253 0 40 DEAB CC(=O)N[C@H](CC(=O)NCCc1cccnc1)c1cccs1 32349435 AWUUMSNBBADBNW-CQSZACIVSA-N 317.414 2.069 0 40 DEAB CCOC(=O)C1CCN(CC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 4354064 BDURQXGQVQENRV-OKILXGFUSA-N 310.438 2.051 0 40 DEAB COc1cc([C@H]2CC(=O)Nc3ncnn32)ccc1OCC(C)C 6159679 ZAXFUAGHKILEGK-GFCCVEGCSA-N 316.361 2.253 0 40 DEAB O=C(Cn1c(=O)sc2ccccc21)NOCc1ccccc1 6228465 PAWGOSDGIICDQY-UHFFFAOYSA-N 314.366 2.311 0 40 DEAB CC(C)(C)OC(=O)NCCCCNc1ncccc1C(=O)O 6732241 ZVDGSWORVIILDO-UHFFFAOYSA-N 309.366 2.497 0 40 DEAB CC(C)c1ccc([C@H](C)NC(=O)N[C@H]2CCCNC2=O)cc1 69700920 KHHSROZZZPGVBW-WFASDCNBSA-N 303.406 2.449 0 40 DEAB CCOC(=O)N1CCC(NC(=O)c2ccccc2OC)CC1 21970410 CRUJCEQJOBHYCH-UHFFFAOYSA-N 306.362 2.046 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 53890677 VOMORKVBACUUDH-NWDGAFQWSA-N 320.355 2.469 0 40 DEAB CNC(=O)NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1 23694620 IMQLJJTYHIUTJC-INIZCTEOSA-N 311.385 2.315 0 40 DEAB O=S(=O)(NCc1cnn(-c2ccccc2)c1)c1cccs1 24468948 XSUIJDMVCWTTCS-UHFFFAOYSA-N 319.411 2.412 0 40 DEAB CCONC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 24573962 AHVURDCSMCZUKC-UHFFFAOYSA-N 317.311 2.385 0 40 DEAB CCC(=O)Nc1ccc(C2=Nn3c(C)nnc3SC2)cc1 27300144 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C[C@H]1CN(C[C@@H](O)Cn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 108361663 NIHLRDJQLMTERH-RVKKMQEKSA-N 315.417 2.020 0 40 DEAB CN1CCN(c2ccc(NC(=O)Cc3ccccc3)cn2)CC1 20373847 VURWCPWYHYEDES-UHFFFAOYSA-N 310.401 2.015 0 40 DEAB CCOCCCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 48191188 ZXZBOPMYYLWMTP-CQSZACIVSA-N 320.437 2.485 0 40 DEAB Cc1ccc2[nH]c(C)c(CC(=O)NCCc3nc(C)no3)c2c1 58197787 JTDPWSZROKRVDQ-UHFFFAOYSA-N 312.373 2.378 0 40 DEAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCCCCO 170389806 MGGMZXDXCTUVKI-UHFFFAOYSA-N 306.406 2.201 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-n2ccnc2)c1 58244543 UPMRFSPECQBCKN-LBPRGKRZSA-N 324.340 2.222 0 40 DEAB CC(C)C[C@@H](NC(=O)CNC(=O)NC1CC1)c1cccs1 58268360 YMJOBYPSAUUBMU-GFCCVEGCSA-N 309.435 2.413 0 40 DEAB CCOc1ncccc1CNS(=O)(=O)c1ccc(C)cc1 28041812 QKZJGRDWSFTZQZ-UHFFFAOYSA-N 306.387 2.267 0 40 DEAB O=C(CCN1CCN(CC(F)(F)F)CC1)Nc1ccccc1 58491503 UBKHFYACBCZIMX-UHFFFAOYSA-N 315.339 2.195 0 40 DEAB Cc1cnc(NC(=O)CCc2c(C)nc3ncnn3c2C)s1 10624275 ICAVHXNXNKLIMF-UHFFFAOYSA-N 316.390 2.077 0 40 DEAB CCC(=O)NCC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69350721 SNQCCKCMLGVDCC-ZYHUDNBSSA-N 314.307 2.204 0 40 DEAB O=C(NCc1nnc2n1CCC2)Nc1ccc(Cl)c(F)c1 48478596 FJPUWCLFLUUENH-UHFFFAOYSA-N 309.732 2.339 0 40 DEAB C[C@H]1CCCCN1C(=O)CSc1nnnn1-c1ccccc1 3504045 FGYLTJFVDIGWBM-LBPRGKRZSA-N 317.418 2.155 0 40 DEAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1nc[nH]n1 12974040 QKNPZBFMDRAJOT-UHFFFAOYSA-N 318.724 2.079 0 40 DEAB CCOc1ncccc1C(=O)NCCOc1ccc(OC)cc1 12916458 KVEIIBAUJKDVID-UHFFFAOYSA-N 316.357 2.298 0 40 DEAB O=C(CN1CCC(Cc2ccccc2)CC1)NC[C@@H]1CCCO1 8307187 NATXJZZDKKGXKY-SFHVURJKSA-N 316.445 2.236 0 40 DEAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CCC(=O)N3)CC2)cc1 69453137 KANHTDOBJUFQRN-KRWDZBQOSA-N 314.429 2.445 0 40 DEAB O=C(NCc1ccccc1Cl)c1cc2c([nH]c1=O)CCC2 49546612 DROAFSUXIFSNBK-UHFFFAOYSA-N 302.761 2.447 0 40 DEAB O=C(CSc1nnnn1-c1ccc(O)cc1)c1ccccc1 5053829 GXMFSRMWIZLAIW-UHFFFAOYSA-N 312.354 2.343 0 40 DEAB O=C(NCc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(CC2CC2)C1 60353423 MJZHNGJYPXUHOG-GFCCVEGCSA-N 324.783 2.354 0 40 DEAB NC(=O)[C@H](OC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 14080575 JCKIBUJKRHKAOV-MRXNPFEDSA-N 323.304 2.176 0 40 DEAB CN(Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)CC(F)(F)F 65595665 QEMXMQAQSGWZEX-UHFFFAOYSA-N 317.336 2.467 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3occc3C)CC2)nn1 69896873 KNPCPORBIVEOOC-UHFFFAOYSA-N 300.362 2.403 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2noc(C3CC3)n2)n1 69869843 ACCHHYRQSDIBLF-CQSZACIVSA-N 316.409 2.210 0 40 DEAB COC(=O)N1CCC[C@H](NC(=O)N[C@H](C)c2ccc(F)cc2)C1 69629422 QEJOHZJCSARMPC-RISCZKNCSA-N 323.368 2.417 0 40 DEAB Cn1cc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 25306444 KSPFSVDUXIGGPI-UHFFFAOYSA-N 308.382 2.006 0 40 DEAB CCS(=O)(=O)NCCCc1cccc(Br)c1 66581428 SYHZXCUQYBGGFH-UHFFFAOYSA-N 306.225 2.321 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1ccccc1-n1cnnn1 15011506 ANJOWZKGTJQIGV-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cn2ccccc2n1 8704940 MOTPWAZGLIUFAL-UHFFFAOYSA-N 312.373 2.479 0 40 DEAB COCc1nc2n(n1)C[C@H](N[C@H](C)c1sccc1C)CC2 90396436 NUHXXUQYLXGGAL-VXGBXAGGSA-N 306.435 2.460 0 40 DEAB O=C(CCc1cccs1)OCc1cc(=O)n2ccsc2n1 7435047 IQPLIEWJFGIHDR-UHFFFAOYSA-N 320.395 2.494 0 40 DEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCC[C@H](C)C1 7787511 UEFJRIXVGLGRDA-ZDUSSCGKSA-N 317.433 2.090 0 40 DEAB CCN(CC)C(=O)[C@@H]1CC(c2ccc(OC)c(OC)c2)=NO1 20608550 PMWYJVFDNLCZGY-HNNXBMFYSA-N 306.362 2.065 0 40 DEAB CCOC(=O)c1ccc(OC[C@H](O)CN2CCCC[C@@H]2C)cc1 9375948 OWLUTVMUOPKPOL-GOEBONIOSA-N 321.417 2.477 0 40 DEAB O=C(N[C@H](c1ccccc1)[C@@H](O)c1ccccc1)[C@@H]1CCCN1 83433966 JVOUIFUIIPEWLM-KSZLIROESA-N 310.397 2.330 0 40 DEAB CN(CC(=O)N1CCC[C@@H](n2ccnc2)C1)Cc1ccccc1 71796448 IGVPYPPJLRSVNE-QGZVFWFLSA-N 312.417 2.179 0 40 DEAB O=C1C[C@@H](c2ccccc2)N(C(=O)CC[C@@H]2CCCO2)CCN1 71821273 WKDMNIGYOKFKIT-HOTGVXAUSA-N 316.401 2.035 0 40 DEAB COCCN1CCN(Cc2nc(-c3ccco3)oc2C)CC1 71850284 DRSSWSCOSJEVQJ-UHFFFAOYSA-N 305.378 2.007 0 40 DEAB Cn1nc(CC(C)(C)C)cc1NC(=O)CNC(=O)OC(C)(C)C 71888380 OZHIKLBEMNCSNW-UHFFFAOYSA-N 324.425 2.472 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 71885797 DXRZTFRYBZGUGE-GXTWGEPZSA-N 323.462 2.271 0 40 DEAB O=C(N[C@H](C(=O)O)c1ccccc1F)c1cccc2cn[nH]c12 97036452 HPWNKKWQKQXCFH-AWEZNQCLSA-N 313.288 2.258 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1 97019345 VQOKAJYWXSAIMP-JTQLQIEISA-N 319.748 2.277 0 40 DEAB CC(C)C[C@H](N[C@H]1CCSC1)c1nc(-c2nc[nH]n2)no1 97038903 LQNMUGQTVJCIAT-UWVGGRQHSA-N 308.411 2.037 0 40 DEAB COc1ccc(CC(=O)N2CCN(C)C[C@H]2C(C)C)cc1OC 71915440 VEOBZIVKOCZKQQ-HNNXBMFYSA-N 320.433 2.045 0 40 DEAB CN(CCCc1nc2ccccc2o1)C[C@H]1CCS(=O)(=O)C1 71920957 ABHIVGUNXIHPRS-CYBMUJFWSA-N 322.430 2.127 0 40 DEAB CCN1C[C@@H](C(=O)N2CCCC[C@H]2c2nc(C)cs2)CC1=O 72232437 BXCQTMAFROTZBI-STQMWFEESA-N 321.446 2.374 0 40 DEAB COc1ccc(C)cc1CC(=O)N[C@H]1CCc2nc(C)cn2C1 97198358 KQBFFCDDVLUUME-HNNXBMFYSA-N 313.401 2.182 0 40 DEAB O=C(N[C@H]1C[C@H]1c1cccc(Cl)c1)N1CCC2(C1)OCCO2 84367650 XPCQUOOCOSIOEH-KBPBESRZSA-N 322.792 2.354 0 40 DEAB Cc1cc(C(=O)N(C)[C@H]2CCCN(C)C2)nn1-c1ccccc1 76022259 AMWBUUBIKLHHRD-INIZCTEOSA-N 312.417 2.347 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)/C=C/c1ccccn1 84692158 YKKQMLCMTFCEIV-XACNLCELSA-N 301.390 2.001 0 40 DEAB CCCCN(CCO)C(=O)Cc1nc(-c2ccco2)oc1C 84744400 YELUHXPCOLIOAD-UHFFFAOYSA-N 306.362 2.407 0 40 DEAB COc1cc(Cl)c(C(=O)N(C)Cc2nccn2C)cc1OC 95435947 FYJXSTRWFOBZSX-UHFFFAOYSA-N 323.780 2.363 0 40 DEAB Brc1ccccc1N1CC[C@H](N[C@@H]2CCOC2)C1 95967907 VIAOQOIXLJPNTJ-NWDGAFQWSA-N 311.223 2.406 0 40 DEAB Cc1nc([C@@H]2CN(Cc3ccccc3N(C)C)CCO2)no1 95962563 NWGZSZCGSUANAA-HNNXBMFYSA-N 302.378 2.018 0 40 DEAB C[C@H](CC(=O)N[C@H]1CCN(C(N)=O)C1)Cc1ccc(Cl)cc1 89242259 ITFJBXTYQYTTKK-FZMZJTMJSA-N 323.824 2.178 0 40 DEAB CCN(CC)CCN(CCOC)c1cc(C)nc(C2CC2)n1 75107032 UXSYIGWLMNHWAK-UHFFFAOYSA-N 306.454 2.457 0 40 DEAB C[C@@H](N(C)C(=O)CCn1ncc(=O)c2ccccc21)C1(C)CC1 75108220 QQXMMVHMTHVLTC-CYBMUJFWSA-N 313.401 2.434 0 40 DEAB COC(=O)Nc1ccc(CNC(=O)Cc2ccc(O)cc2)cc1 79107154 MNVAHLMRNHTCQU-UHFFFAOYSA-N 314.341 2.429 0 40 DEAB COc1c(F)cc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1F 79226665 XTVKVVYJXFWDJD-ZDUSSCGKSA-N 324.327 2.313 0 40 DEAB O=C(Nc1cnc(N2CCCC2)nc1)c1ccc2c(c1)OCO2 65224843 SUBBQMQZXRPSNV-UHFFFAOYSA-N 312.329 2.058 0 40 DEAB C[C@@H](OCc1ccccc1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 30604502 ZTFIWWILJFKZFA-MRVPVSSYSA-N 314.267 2.367 0 40 DEAB C[C@H](NC(=O)C1CCCC1)C(=O)Nc1cc(C(=O)O)cs1 555741794 XLTMWRLOKZDHIZ-QMMMGPOBSA-N 310.375 2.080 0 40 DEAB CC(C)N(CCN)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391816 XKKYZZYNKUJDJE-INIZCTEOSA-N 305.422 2.067 0 40 DEAB NC(=O)[C@H](NCCCN1CCc2ccccc21)c1ccccc1 32771744 GJQOYJRYMMAPRG-GOSISDBHSA-N 309.413 2.255 0 40 DEAB CN(C(=O)c1cccc(F)c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 76501918 YPPGHLDUKBYFGE-ZIAGYGMSSA-N 313.394 2.254 0 40 DEAB C[C@](O)(CNS(=O)(=O)c1ccc(Cl)s1)c1ccco1 75156316 RESDHVGPXFCCRN-NSHDSACASA-N 321.807 2.181 0 40 DEAB C[C@H](c1cccnc1)N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 79353330 ZWWHGPCRYXYJOJ-WBVHZDCISA-N 317.433 2.246 0 40 DEAB CCN(CC(=O)O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391552 RPDGEZHFRZOVPX-OAHLLOKOSA-N 320.389 2.194 0 40 DEAB COc1ccccc1N1CCN(c2nccnc2S)CC1 44841908 BFQATHYWCVHSLO-UHFFFAOYSA-N 302.403 2.101 0 40 DEAB CC1(C)C[C@H](O)CCN(c2cc(N3CCCCC3)ncn2)C1 574398422 ZFDHTAGXLOBYBN-CQSZACIVSA-N 304.438 2.454 0 40 DEAB CCCNS(=O)(=O)c1ccc(Br)cc1OC 41091800 BHVWQWWZVQXDHB-UHFFFAOYSA-N 308.197 2.146 0 40 DEAB CCC1(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2)COC1 571581077 ZSVLRAOXSUVHRO-INIZCTEOSA-N 302.418 2.051 0 40 DEAB O=C(Cc1cccc(F)c1)NC[C@@H](Cc1ccccc1)C(=O)O 195542037 LBFCFSNJPDGFTP-OAHLLOKOSA-N 315.344 2.428 0 40 DEAB CN1CCC(N2CC[C@H](c3nnc(-c4ccco4)o3)C2)CC1 49169505 YEBDUDGOHHWOQB-LBPRGKRZSA-N 302.378 2.213 0 40 DEAB biogenic,in-vitro CCN(C)c1ncnc2c1CCN(Cc1csc(C)n1)CC2 96058793 MWHCHOUOHSKRQQ-UHFFFAOYSA-N 317.462 2.298 0 40 DEAB O=C(N[C@@H]1CN(Cc2ccccc2)C[C@@H]2CCCO[C@@H]21)C1CC1 96040644 JZCLUHGJPZZPCG-KSZLIROESA-N 314.429 2.192 0 40 DEAB Cc1sc(=O)n(CC(=O)N2CCC(c3ccccc3)=N2)c1C 96428928 CAPWWCHGCJJSEK-UHFFFAOYSA-N 315.398 2.163 0 40 DEAB CS(=O)(=O)N1CCCC12CCN(Cc1cccs1)CC2 96049342 GHNZRNDAXGKRKP-UHFFFAOYSA-N 314.476 2.138 0 40 DEAB CS[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cnn(C(C)C)c1 96428180 CMCYTDGIYJXPGA-QWHCGFSZSA-N 317.480 2.417 0 40 DEAB CCc1nnc(CN2CCC(Oc3ccc(C)cn3)CC2)o1 96501558 XPKXSRDDMNBHRP-UHFFFAOYSA-N 302.378 2.379 0 40 DEAB c1cc(COC[C@]23COC[C@H]2CN(CC2CCC2)C3)ccn1 96108972 ZSJHDOKRBDRMII-QZTJIDSGSA-N 302.418 2.347 0 40 DEAB Cn1ccnc1CN1CCC2(CC1)C[C@H](c1ccccc1)C(=O)N2 96199417 NZVOBQBMJGENNQ-MRXNPFEDSA-N 324.428 2.058 0 40 DEAB CC[C@H](NCc1ncc[nH]1)[C@H]1CN(Cc2ccccc2)CCO1 96473262 YUQIMVQGAZKWIV-DLBZAZTESA-N 314.433 2.179 0 40 DEAB CN(C)C(=O)N1CC[C@@H]2OCCC[C@@]2(COc2ccccn2)C1 96057090 AGBYUCSWVKSWMZ-YOEHRIQHSA-N 319.405 2.013 0 40 DEAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3nccs3)O2)n1 96040879 WPWMOVOUQVDDES-UTUOFQBUSA-N 306.391 2.329 0 40 DEAB Cc1cccc(OC[C@@H](C)NS(=O)(=O)c2ccc(N)cc2)c1 97375577 ABZDUYKHKDBIHM-CYBMUJFWSA-N 320.414 2.323 0 40 DEAB O=C(NC[C@H]1CCCO1)c1cnn(-c2ccccc2)c1Cl 95117420 MFSJIQRATYECNV-GFCCVEGCSA-N 305.765 2.435 0 40 DEAB CCO[C@H]1CSC2(C1)CN(C(=O)c1cc(C)nc(C)c1)C2 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DEAB COC(=O)[C@]1(C)CCN(C(=O)NCc2ccc(C)c(F)c2)C1 89643383 OSVUVPREMVZFRD-MRXNPFEDSA-N 308.353 2.229 0 40 DEAB CCc1nsc(Sc2nnnn2-c2ccccc2OC)n1 92582100 ZNXYMKOOVPVQGY-UHFFFAOYSA-N 320.403 2.236 0 40 DEAB O[C@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1 198351999 DNPAEDMIFBKYCD-SNVBAGLBSA-N 323.278 2.289 0 40 DEAB Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc(=O)n1C 1225528740 QXGSUZNSCQZRGB-UHFFFAOYSA-N 322.405 2.472 0 40 DEAB O=C1CO[C@@H]2CN(C3CCCCC3)C[C@@H]2N1c1ccccc1 1615154347 HGZPWDUCVRVULG-DLBZAZTESA-N 300.402 2.435 0 40 DEAB COC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)ccc1OC 5645164 DNHHPIPUGQHANS-CYBMUJFWSA-N 324.764 2.492 0 40 DEAB Cc1cccc2c(=O)c(NC(=O)NC[C@@H]3CCCO3)c[nH]c12 13565878 BQOKTKVAALWCGL-NSHDSACASA-N 301.346 2.137 0 40 DEAB CO[C@H]1CCN(C2CCN(C(=O)c3cc(C)oc3C)CC2)C1 575605089 HKSJYFOSAJGYIY-HNNXBMFYSA-N 306.406 2.222 0 40 DEAB CCCn1c(SCC(=O)Nc2cc(C)ccc2C)n[nH]c1=O 6888218 GYTKJWOVCRBTBG-UHFFFAOYSA-N 320.418 2.329 0 40 DEAB Cc1ccnc(OC[C@@]23CCC[C@H]2CN(c2ncccn2)C3)n1 1888860265 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Cc1ccnc(NC(=O)CN2C(=O)CCOc3ccccc32)c1 21893219 KSNUOCPZTXCIPE-UHFFFAOYSA-N 311.341 2.144 0 40 DEAB COc1ncccc1CNC(=O)c1cccnc1N1CCCC1 30305513 UWGULKOAERZMOP-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 20169447 YZPCZEAVKVKKSW-OAHLLOKOSA-N 304.434 2.358 0 40 DEAB CC(C)CN1C[C@@H](C(=O)N[C@H]2CCc3ccccc32)CC1=O 45889154 ZKDODEVVEWNLRC-HOCLYGCPSA-N 300.402 2.295 0 40 DEAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccco2)cc1 1380983 QLUCUMNNNUYELC-NSHDSACASA-N 303.314 2.150 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC1CCS(=O)(=O)CC1 37090015 YHLGFYCIAOZDAO-JTQLQIEISA-N 301.383 2.062 0 40 DEAB O=C(Cn1cnc2sccc2c1=O)N1CCc2ccccc21 6590407 UUSIUNBPNRGESS-UHFFFAOYSA-N 311.366 2.047 0 40 DEAB CCCNC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876189 VIVAYXLQMMXTLU-UHFFFAOYSA-N 318.329 2.113 0 40 DEAB COc1ccc(CCNC(=O)N[C@@H](C)[C@H]2CCCO2)cc1OC 37170775 QJWBWTQQHXADDD-GXTWGEPZSA-N 322.405 2.113 0 40 DEAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 33120467 CADNWUGTDZTUQK-WCQYABFASA-N 318.373 2.154 0 40 DEAB O=C(Cn1ccccc1=O)NCc1ccc(Cl)cc1Cl 9364758 ABVINZINBCXDOA-UHFFFAOYSA-N 311.168 2.472 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cn1 54122471 RZPNFRFRWPVJCD-CQSZACIVSA-N 300.362 2.030 0 40 DEAB C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(N)=O 23416325 IADSZKYSGVHDHD-NSHDSACASA-N 321.336 2.327 0 40 DEAB c1cc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCOCC3)C2)cs1 107713094 NNPIXIRCJRWOOW-BBWFWOEESA-N 322.474 2.060 0 40 DEAB CC(C)C[C@H]1NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 42753688 GXMLRTUSWMQPKA-OLZOCXBDSA-N 310.781 2.340 0 40 DEAB Oc1c(Br)cc(-c2nn[nH]n2)cc1Br 101184852 DQTJODISZGZEJW-UHFFFAOYSA-N 319.944 2.097 0 40 DEAB CCCS(=O)(=O)N[C@H](C)c1cc(OC)c(OC)cc1C 57006278 LMGMAOVIWSCTEC-LLVKDONJSA-N 301.408 2.403 0 40 DEAB Cc1ccc(C(N)=O)cc1NC(=O)CCc1c(C)noc1C 63948424 NHRJTIXEYWGJOJ-UHFFFAOYSA-N 301.346 2.270 0 40 DEAB O=C(CNc1ccc(F)cc1OCCO)Nc1cccc(F)c1 58048401 TWJZQBDWHMTTJP-UHFFFAOYSA-N 322.311 2.387 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)NCCc1cccc(F)c1 44952296 CBNRIJUWXWNRGN-OAHLLOKOSA-N 316.380 2.479 0 40 DEAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc2c(c1)NC(=O)CO2 44913940 LPXFSGSAAUSPEO-ZETCQYMHSA-N 319.752 2.216 0 40 DEAB Cc1cc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)no1 58325509 QYQCEQWBDUQZHT-UHFFFAOYSA-N 316.357 2.348 0 40 DEAB O=C(COC(=O)c1ccccn1)NCc1ccccc1Cl 3314001 UVRWJHRJURHJMA-UHFFFAOYSA-N 304.733 2.208 0 40 DEAB COC(=O)N1CCC(NC(=O)c2cc(C)n(C3CC3)c2C)CC1 62227369 XCSAYIIQGZHASC-UHFFFAOYSA-N 319.405 2.400 0 40 DEAB CCOC(=O)CCNC(=O)c1ccc(OC(C)C)c(OC)c1 48374909 RKSJHHWXMINFIT-UHFFFAOYSA-N 309.362 2.165 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 3597194 SHJZNQDMAVHFFW-ZDUSSCGKSA-N 317.389 2.208 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CNC(=O)Cc2ccccc2)[C@@H]1C 12945292 AFTCGZOIXWNIPF-FMKPAKJESA-N 302.418 2.286 0 40 DEAB CCn1c(=O)n(CC(=O)N2CCC[C@@H]2C(C)C)c2ccccc21 63814696 NXYSEMDHNOMCBI-CQSZACIVSA-N 315.417 2.470 0 40 DEAB CN(C)C(=O)c1ccccc1NC(=S)NC(=O)C(C)(C)C 8556034 BVZCHQOAFNTPBE-UHFFFAOYSA-N 307.419 2.248 0 40 DEAB COc1cccc(-c2noc(COC(=O)c3cccn3C)n2)c1 5204983 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CC[C@@H](CO)N1CCN(Cc2cnc(C(C)(C)C)s2)CC1 93740249 KHQMAPHONDHPOB-ZDUSSCGKSA-N 311.495 2.329 0 40 DEAB CCC(CC)(CNC(=O)/C=C/c1ccc(C)o1)S(C)(=O)=O 96432858 AAMGPGYPZGVDHY-MDZDMXLPSA-N 313.419 2.321 0 40 DEAB Cc1cc(F)ccc1CCNC(=O)N[C@H](C)c1cnn(C)c1 87122900 ZEIYBZMNOVCJLS-GFCCVEGCSA-N 304.369 2.471 0 40 DEAB CC[C@@H](NCC1CCN(S(C)(=O)=O)CC1)c1ccccc1 71902650 QJZQOTDLSLXEFI-MRXNPFEDSA-N 310.463 2.399 0 40 DEAB CCCC(=O)N1CCCC[C@H]1C(=O)N1CCc2cnccc21 97084690 IVZSRJQIWBJNFS-HNNXBMFYSA-N 301.390 2.152 0 40 DEAB COc1ccc(S(=O)(=O)Nc2nccs2)c(C)c1F 97083726 AQJQLBSFLHLTIS-UHFFFAOYSA-N 302.352 2.400 0 40 DEAB Cc1noc(-c2ccccc2)c1NS(=O)(=O)c1cn[nH]c1C 97146335 JPJMQVQGNJBHDK-UHFFFAOYSA-N 318.358 2.482 0 40 DEAB Cc1cc(CS(=O)(=O)NC2(c3ccccc3)CCC2)on1 72301864 BRLQWGHZMXUPQI-UHFFFAOYSA-N 306.387 2.482 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 84383504 LRLIOCXWFRTJET-CQSZACIVSA-N 314.364 2.368 0 40 DEAB CC[C@H](COc1ccccc1)NS(=O)(=O)c1ccc(N)cc1 97375611 MOCZKRKXTDOHOE-CQSZACIVSA-N 320.414 2.405 0 40 DEAB O=C(c1cn(Cc2cccnc2)nn1)N1CC[C@@H]2CCCC[C@H]21 84425124 URKROUKYNUDVFL-GOEBONIOSA-N 311.389 2.126 0 40 DEAB Nc1cc(CCCNC(=O)c2ccccn2)nn1-c1ccccc1 84569529 ZUMHIBMZATWJRU-UHFFFAOYSA-N 321.384 2.212 0 40 DEAB CC(=O)NCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 78681208 DJIFDEGZDZDLLR-UHFFFAOYSA-N 308.341 2.100 0 40 DEAB CC[C@H](NC(=O)N1CCC(CC(=O)NC)CC1)c1nccs1 84734916 ZAYKJYZICIWKII-LBPRGKRZSA-N 324.450 2.152 0 40 DEAB Cc1cc(C)c(C(=O)N2CCO[C@@H](c3cccs3)C2)c(=O)[nH]1 95415920 DYSMBGVTRGOHQW-GFCCVEGCSA-N 318.398 2.267 0 40 DEAB O=C(CCc1nc(C2CCCC2)no1)NCC[C@H]1CCCO1 95416416 POLRIVUWVPQYFF-CYBMUJFWSA-N 307.394 2.345 0 40 DEAB CC(C)(CO)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 95444592 XCVAWMXNLRZAAP-UHFFFAOYSA-N 314.788 2.008 0 40 DEAB CC1(C)CCCN(C(=O)C2(S(C)(=O)=O)CCCC2)CC1 95961240 WJBVJZCCUJYRQC-UHFFFAOYSA-N 301.452 2.383 0 40 DEAB CCc1noc(CC)c1CNC(=O)NC[C@H]1CCCC[C@@H]1O 88630889 ZADIJDXNMDBIRK-RISCZKNCSA-N 309.410 2.150 0 40 DEAB C[C@H](CNC(=O)NCC(C)(C)O)Oc1cccc(Cl)c1 74781194 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315.421 2.047 0 40 DEAB CCc1noc(CCC(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)n1 257320530 VXFGTPXOUODYDS-LBPRGKRZSA-N 317.393 2.002 0 40 DEAB CC(C)c1nnsc1C(=O)N1CCC[C@@H](c2ccncn2)C1 257240316 HSZKLEBMPMYYKG-LLVKDONJSA-N 317.418 2.471 0 40 DEAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3cscn3)C[C@@H]21 257281083 ONNGXEZFSHJPIE-VHDGCEQUSA-N 315.446 2.280 0 40 DEAB CCn1cc(CN2C[C@@H]3[C@@H](CC[C@H]3Nc3cnccn3)C2)cn1 257291814 QISPOCWGXBSLBF-ARFHVFGLSA-N 312.421 2.016 0 40 DEAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H]1c1cnccn1 257218735 DEGLQHVMWADTSQ-OAHLLOKOSA-N 321.384 2.339 0 40 DEAB Cc1nc([C@@H](NC(=O)Nc2cc(C)on2)c2ccccc2)n[nH]1 57882305 HADIBCJHVQHPOX-ZDUSSCGKSA-N 312.333 2.321 0 40 DEAB O=C(NCC1(O)CCSCC1)c1c(F)cccc1Cl 75259613 KPWVZSLKJVTQSU-UHFFFAOYSA-N 303.786 2.467 0 40 DEAB COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(F)cc1C 585319515 CYWAPBHNTTXDCZ-PBWFPOADSA-N 313.394 2.465 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1coc(Br)c1)C(=O)O 96999729 UFLKNIIOSSLTSK-IMTBSYHQSA-N 304.140 2.271 0 40 DEAB 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COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100184485 OBGUHHIBCDQXFQ-GUHREWKASA-N 323.348 2.031 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)Cc2n[nH]c3ccccc23)o1 81819389 NQUBZBJTUXULCB-QGZVFWFLSA-N 313.357 2.031 0 40 DEAB COC(=O)N[C@@]12C[C@H]3C[C@H]([C@H](C)O1)[C@H]2N(Cc1ccccc1)C3 104202852 WJYYMZCCCGIGPC-IGBMMGQUSA-N 316.401 2.368 0 40 DEAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccccc2)cn1 107206016 OPOKKTCNIBMNCF-IAGOWNOFSA-N 310.401 2.190 0 40 DEAB Cc1cc(C)n(CCCNc2ncc(C(N)=O)cc2Cl)n1 54042245 QTGHKTNSKICDLB-UHFFFAOYSA-N 307.785 2.149 0 40 DEAB S=c1n(CN2CCOCC2)nc(-c2cccnc2)n1C1CC1 24031874 RNXIDRGUVHEQEQ-UHFFFAOYSA-N 317.418 2.101 0 40 DEAB CC1CCN(S(=O)(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 102818316 XKAUGPYAVXYYIB-GBJTYRQASA-N 300.468 2.377 0 40 DEAB Cc1sc2ncnc(N3C[C@@H](C(N)=O)CC[C@H]3C)c2c1C 107490964 IYCZWGANAQXVJI-KCJUWKMLSA-N 304.419 2.398 0 40 DEAB CCCn1c(CO)nnc1S[C@@H](C)c1nc(C2CC2)no1 89960662 VDOXPRPZFXVSHU-QMMMGPOBSA-N 309.395 2.294 0 40 DEAB O=C(NC[C@H]1CCN(C2CC2)C1)c1ccc(Br)o1 44317584 OIVIHRXZXKXSPE-SECBINFHSA-N 313.195 2.256 0 40 DEAB COc1cc(/C=C/C(=O)NCCO)ccc1OCCC(C)C 62714856 ZPZBPTXDAZXWLL-FNORWQNLSA-N 307.390 2.242 0 40 DEAB CN(Cc1cccs1)C(=O)Cc1n[nH]c(=O)c2ccccc12 10028806 KTXDANJCYNZZDK-UHFFFAOYSA-N 313.382 2.186 0 40 DEAB Cc1ccc(C)c([C@H](O)CN2CCC[C@H](C(=O)NC3CC3)C2)c1 75681180 YOXAJKJZYWDSNX-MAUKXSAKSA-N 316.445 2.327 0 40 DEAB C[C@@H](CNC(=O)NCc1cnn(C)c1)Sc1ccccc1 76085938 AYJLDYRPKUFOSI-LBPRGKRZSA-N 304.419 2.400 0 40 DEAB CCSCc1ccc(C(=O)NC[C@@H]2CN(C)CCO2)cc1 58328718 TYMWEUACJDQHTF-OAHLLOKOSA-N 308.447 2.000 0 40 DEAB CCn1cnnc1CNC(=O)N[C@@H](C)c1ccc(OC)c(F)c1 48176685 HRDJOLZYILPRAP-JTQLQIEISA-N 321.356 2.006 0 40 DEAB c1ccc(C2(CNc3ccc4nncn4n3)CCOCC2)cc1 48346041 UGVAREBZZRCLPC-UHFFFAOYSA-N 309.373 2.285 0 40 DEAB CC(C)CN(CC(C)C)C(=O)COC(=O)c1ccc(O)cc1O 3529483 XYRLVQBVCRCFBY-UHFFFAOYSA-N 323.389 2.395 0 40 DEAB COc1cccc(C(=O)NCCNC(=O)c2sccc2C)c1 12977331 VTWKQZFUBSISMG-UHFFFAOYSA-N 318.398 2.225 0 40 DEAB C[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C 69490959 IUAGDVMVMBAHJA-OLZOCXBDSA-N 321.396 2.414 0 40 DEAB CC(=O)N[C@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(Cl)cc1 39977563 IHDBJCLLLQSIFW-LSDHHAIUSA-N 324.808 2.203 0 40 DEAB C[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)C[C@H](C(N)=O)O1 92006056 XTSNLSZRSPVLLE-CXAGYDPISA-N 318.417 2.083 0 40 DEAB CCCOc1cccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 65499690 MUFBEPFNUIRUHM-NVXWUHKLSA-N 318.417 2.068 0 40 DEAB CN(C[C@H](O)c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 69842886 FGOZVXDCHMYNIL-SJORKVTESA-N 312.417 2.111 0 40 DEAB Cc1nc(C)n(C[C@H](O)CO[C@@H]2CCCc3ccccc32)n1 92197522 JCFDQZMLSIYLTH-DOTOQJQBSA-N 301.390 2.350 0 40 DEAB NC(=O)c1ccsc1NC(=O)CCC(=O)Nc1ccccc1 14201946 VUQIGZYWXUUFJP-UHFFFAOYSA-N 317.370 2.204 0 40 DEAB CC(C)COc1nc2ccccc2nc1N1CCN(C)CC1 6756385 ZKLSPOIPILSNQK-UHFFFAOYSA-N 300.406 2.416 0 40 DEAB CC(C)CCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 8755375 XWPULYNYOPXMPS-OAHLLOKOSA-N 317.364 2.322 0 40 DEAB Cc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1 8709184 QHHPZEFGECALBW-UHFFFAOYSA-N 308.381 2.310 0 40 DEAB CC[C@H](NC(=O)c1c(F)cccc1F)C1=CCCN(CCO)C1 67695811 WGKGFMYJZAMWES-HNNXBMFYSA-N 324.371 2.098 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)N1CCC(CO)CC1 80471210 ABZYYAQDTPGDON-NSHDSACASA-N 310.369 2.309 0 40 DEAB Cc1n[nH]c(SCC(=O)N[C@@H](C(C)(C)C)C(F)(F)F)n1 81467559 AYNAFHXCHDUYDF-QMMMGPOBSA-N 310.345 2.298 0 40 DEAB CCOC(=O)/C=C/C(=O)O[C@H](C)c1nnc(-c2ccccc2)o1 8185462 SVUXHFKXWVKESM-PBQZMEPESA-N 316.313 2.460 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2ccco2)c1C 8197715 IEPXJHALQHQACF-UHFFFAOYSA-N 304.346 2.326 0 40 DEAB CCC(=O)N1CC[C@@H](NCc2cccc3c2OCCO3)[C@@H](C)C1 78897377 ZCMOUTXKNIWPPL-DZGCQCFKSA-N 318.417 2.194 0 40 DEAB Cc1nc[nH]c1C(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1 71589682 SUXLMWWTZYGZJN-KRWDZBQOSA-N 324.428 2.033 0 40 DEAB CNC(=O)Cc1nc(CN(C#N)c2cc(C)ccc2F)cs1 96450982 MPDZFOJQFDEBPO-UHFFFAOYSA-N 318.377 2.367 0 40 DEAB COC(=O)c1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)s1 83895838 QESPEWKGRFGKBS-JTQLQIEISA-N 319.386 2.278 0 40 DEAB CC(C)N(C)C(=O)NC[C@@H]1CC(=O)N(C)[C@H]1c1ccccc1 96500371 RAQDJAOAZNRKQZ-HOCLYGCPSA-N 303.406 2.256 0 40 DEAB COC[C@H](C)S(=O)(=O)N[C@H](C)CCc1ccc(F)c(F)c1 71910768 BVRUYEBGLRAHKX-MNOVXSKESA-N 321.389 2.240 0 40 DEAB Cn1ccnc1COC(=O)c1cccc(Nc2cnccn2)c1 97034351 KOHYICQIGRJTML-UHFFFAOYSA-N 309.329 2.311 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ncnn1C 97012402 PVVBELQJAUNMCJ-CHWSQXEVSA-N 323.441 2.083 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)Cn1cccc(C)c1=O 84247920 MOMQPMJEVGORKP-UHFFFAOYSA-N 320.776 2.135 0 40 DEAB CC(C)N(C)C(=O)c1ccc(CNCc2cnn(C)c2)cc1 97197970 SYNVURWRGWJCLR-UHFFFAOYSA-N 300.406 2.190 0 40 DEAB C[C@]1(C(=O)Nc2cccc(CN3CCCC3=O)c2)CCCO1 79069293 RTUKZPFSYQKPDU-QGZVFWFLSA-N 302.374 2.317 0 40 DEAB CC(C)(CNC(=O)c1ccccc1-n1ccnn1)c1ccncc1 97372598 CPJLVGDRKZCCQS-UHFFFAOYSA-N 321.384 2.370 0 40 DEAB COc1cccc(/C=C/CCN2CCS(=O)(=O)C[C@H]2C)c1 95408330 JCTZTXJPVXKROH-BOTMBNHJSA-N 309.431 2.217 0 40 DEAB CCc1noc(CC)c1CNC(=O)Nc1nnc2ccccn12 88381347 OGBIALNWWHPRRH-UHFFFAOYSA-N 314.349 2.164 0 40 DEAB CCN(CC)[C@H]1CCN(C(=O)NCCc2cccc(O)c2)C1 74062373 RGHSIANPXWIVPS-HNNXBMFYSA-N 305.422 2.060 0 40 DEAB O=C(NC1CC1)C12CC3CC(C1)CC(C(=O)NC1CC1)(C3)C2 89598190 WIKRWYZNQRWGSI-UHFFFAOYSA-N 302.418 2.130 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCCn1cccn1 75130605 BGNPPNWATDPTRL-HNNXBMFYSA-N 315.421 2.377 0 40 DEAB O=C(C1=CCCC1)N1CC2(C1)OCC[C@H]2COc1ccccn1 306137705 RDMDRACLDIRFCX-HNNXBMFYSA-N 314.385 2.188 0 40 DEAB Cc1nc([C@H]2CCO[C@H]2CN(C)C(=O)c2ccc(C)s2)n[nH]1 1551663682 HWDUYOYGLXDAIC-RYUDHWBXSA-N 320.418 2.128 0 40 DEAB NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 38755611 HVFZYJRLZZJBMP-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB O=C(CNCc1ccc2c(c1)OCO2)Nc1ccccc1F 35311387 ZCDNTEXQYHRUOC-UHFFFAOYSA-N 302.305 2.283 0 40 DEAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCCS(C)(=O)=O)cc1 76960802 FWKIXNIXVOZWIN-HOTGVXAUSA-N 323.458 2.464 0 40 DEAB Cc1ncc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)cn1 72386352 REGUEVAVYGNOJO-LBPRGKRZSA-N 302.403 2.336 0 40 DEAB Oc1ccc2c(c1)OC[C@H]1c3cc4c(c(O)c3O[C@H]21)OCO4 35465621 UCNVIHSLCUJYAL-IINYFYTJSA-N 300.266 2.436 0 40 DEAB biogenic,in-vitro O=C(c1cc[nH]n1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378570 ZLWAYSSADGWADF-CYBMUJFWSA-N 322.372 2.010 0 40 DEAB CCn1cc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cn1 78986318 LGJMSGBZHBQTGQ-UHFFFAOYSA-N 320.418 2.304 0 40 DEAB COc1ccc(NC(=O)c2ccco2)c2sc(NN)nc12 72229827 XTQYUESHLXKSOZ-UHFFFAOYSA-N 304.331 2.436 0 40 DEAB C[C@H](c1ccccn1)N1CCC([C@@H](O)c2nccn2C)CC1 89924878 BOAJOSWUFWJHLX-CZUORRHYSA-N 300.406 2.322 0 40 DEAB O=C(CCc1nc(-c2cccc(F)c2)no1)NC[C@@H]1CCCO1 225798686 WHLBPXOUCRJWFT-ZDUSSCGKSA-N 319.336 2.104 0 40 DEAB Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)n1 40714837 XPSVZQYBIWQLRI-AGIUHOORSA-N 319.361 2.099 0 40 DEAB C[C@](O)(CNC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 75155479 XOUNDJHAEMQEJW-KRWDZBQOSA-N 320.389 2.255 0 40 DEAB COc1ccc(CCC(=O)NC[C@@](C)(O)CCSC)cc1 75157472 KSQZYHZFNYLGQV-INIZCTEOSA-N 311.447 2.248 0 40 DEAB C[C@@]1(C(=O)NCc2cccc(F)c2)Oc2ccccc2NC1=O 40776392 CTWXUCZZHXAQPF-KRWDZBQOSA-N 314.316 2.232 0 40 DEAB c1ccc(-n2cccn2)c(CNCCc2nnc3ccccn23)c1 84650799 XJVGJHXFQMOMIZ-UHFFFAOYSA-N 318.384 2.247 0 40 DEAB Cc1cc(O)cc(=O)n1CCC(=O)Nc1cc(Cl)ccc1O 95473947 WUUUGKJJJKXDNK-UHFFFAOYSA-N 322.748 2.250 0 40 DEAB O=C(CCC(=O)NC[C@@H]1CCCO1)NCCC1=CCCCC1 199428357 VECYYZLNRWGMRS-HNNXBMFYSA-N 308.422 2.069 0 40 DEAB Cc1csc(-c2cccc(NC(=O)NCC(=O)N(C)C)c2)n1 96403219 NJRLOSOYBRMDJW-UHFFFAOYSA-N 318.402 2.328 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)N1CCC[C@@H]2CCC[C@H]21 96440735 HIFMYTVFVODMIL-HRCADAONSA-N 310.438 2.404 0 40 DEAB CC(C)OCCCNC(=O)NCc1cccc(-n2ccnc2)c1 96406797 MDSXJMPYLGWDGI-UHFFFAOYSA-N 316.405 2.487 0 40 DEAB Cc1ccc(-c2nc(CN3C(=O)OC[C@H]3CO)c(C)o2)cc1 95519912 WXMWJELQJHONBS-CYBMUJFWSA-N 302.330 2.272 0 40 DEAB O=C(c1cccnc1)N1CCC2(CC1)CCN(c1ncccn1)C2 96046603 ZSPWHHGBJCDWSF-UHFFFAOYSA-N 323.400 2.004 0 40 DEAB O=C(Nc1cccnc1)[C@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 96226929 AWFLECRRCKOQML-QAPCUYQASA-N 313.401 2.449 0 40 DEAB c1ccc(OC[C@H]2CCOC23CN(Cc2cccnc2)C3)nc1 253602747 RIMZLGKWRLOZKH-MRXNPFEDSA-N 311.385 2.147 0 40 DEAB O=C(c1cccnc1)N1CCCC[C@H]1c1ccn2ccnc2n1 257293286 QOWSFCSZVDTGPR-HNNXBMFYSA-N 307.357 2.492 0 40 DEAB Cc1ccnc([C@@]2(C)CCCN2S(=O)(=O)c2ccccc2)n1 257223024 DVOFEKIYBDLSOU-MRXNPFEDSA-N 317.414 2.485 0 40 DEAB O=C1CC[C@H](C(=O)NCC2(c3ccc(Cl)cc3)CCC2)N1 41570045 ZRTVBTRSAIYGKS-CYBMUJFWSA-N 306.793 2.157 0 40 DEAB C[C@H]1CN(C(=O)Cn2cc(C3CC3)cn2)c2ccccc2NC1=O 585141918 IMPVHJLTPRBBPD-LBPRGKRZSA-N 324.384 2.382 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 57974553 PQKSOBBFJRNPPZ-JTQLQIEISA-N 320.267 2.059 0 40 DEAB CC1CCN(C(=O)CN2CCC[C@H]2CN2CCCCC2)CC1 69078815 YTDBLFMWUZZKSG-KRWDZBQOSA-N 307.482 2.195 0 40 DEAB COc1cc(CN[C@@H](C)[C@H](C)n2cccn2)cc2c1OCO2 69418487 ITEDMYYHITYBAV-RYUDHWBXSA-N 303.362 2.360 0 40 DEAB NC(=O)c1cccc(CCNC(=O)NCCC2CCCC2)c1 69701875 RDABMCXXHYVJER-UHFFFAOYSA-N 303.406 2.208 0 40 DEAB Cc1nccn1[C@H]1CCCN(C(=O)c2cnn(C)c2C2CC2)C1 69952103 BNRXTWKHVWMWML-AWEZNQCLSA-N 313.405 2.280 0 40 DEAB O=C(CC1CCCCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436731 LVDCTXWPUXZLKS-MRXNPFEDSA-N 320.433 2.428 0 40 DEAB Cc1cnc(NC[C@]2(O)CCSC2)c(Br)c1 194321894 FWFDVFPCSQPZRZ-LLVKDONJSA-N 303.225 2.432 0 40 DEAB C[C@H](CN(C(=O)c1ccc(Br)o1)C1CC1)C(=O)O 195551926 CPWGNJDDGOYKRE-SSDOTTSWSA-N 316.151 2.367 0 40 DEAB CCn1c(SC)nnc1C1CCN(C(=O)N2CCCC2)CC1 5001370 KPYIUXVOALDPJP-UHFFFAOYSA-N 323.466 2.415 0 40 DEAB O=C(NCCCc1ccccn1)c1cc(-c2ccccn2)n[nH]1 12116894 XAHZSAZXZCRRAA-UHFFFAOYSA-N 307.357 2.229 0 40 DEAB COc1ccc(CC[C@@H](C)NC(=O)C(C)(C)n2cncn2)cc1 19455774 FUUIKZZYTSSFMT-CYBMUJFWSA-N 316.405 2.159 0 40 DEAB Cn1c(=O)n(C)c2c(Br)cc(Br)cc21 165229395 GAVDOFIOIUWFDK-UHFFFAOYSA-N 319.984 2.402 0 40 DEAB CCN1/C(=C/C=C2/OC(=S)N(C)C2=O)Oc2ccccc21 4579213 MHYDFBATDFTVBJ-UQXQTEIVSA-N 302.355 2.404 0 40 DEAB O=C(O)[C@@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1 540665100 VGJRDYRXCMMAKN-STQMWFEESA-N 323.776 2.399 0 40 DEAB Cc1ncnc(N2CCN(c3ccc(C4CC4)nn3)CC2)c1C 575609048 RLEVXXDEWBJCJJ-UHFFFAOYSA-N 310.405 2.087 0 40 DEAB COc1ccc(CCN=c2[nH]c(C)nc3c2CCC3)cc1OC 1888881757 IYJGNURYKCRFAY-UHFFFAOYSA-N 313.401 2.367 0 40 DEAB COC(=O)CCCCCNC(=O)c1cc(OC)c(C)c(OC)c1 24464960 BNXNTKLYJFLMNW-UHFFFAOYSA-N 323.389 2.475 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)s1 33048496 JYJFTPMEJDJNSV-UHFFFAOYSA-N 324.427 2.493 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3ccnc(C(C)C)n3)C2)nc1 2086968214 XFXUGDFDBMAELX-GFCCVEGCSA-N 315.377 2.056 0 40 DEAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)C1(F)CCC1 1565550030 NCBRMVIXASEMQT-AWEZNQCLSA-N 318.392 2.124 0 40 DEAB O=S(=O)(c1ccc(Cl)cc1)N1CC(Oc2ccncc2)C1 1775973909 PEFZUKIURCGKRL-UHFFFAOYSA-N 324.789 2.187 0 40 DEAB O=C(c1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1 1775973028 DHFRIPJTBNSTSO-UHFFFAOYSA-N 301.321 2.299 0 40 DEAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H]1CCCCNC1=O 40533921 DVNMRZWFCFHTOM-SNVBAGLBSA-N 319.386 2.110 0 40 DEAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1cccs1 416504 LJDCNEWQZNDRRG-UHFFFAOYSA-N 308.432 2.258 0 40 DEAB COc1ccc2c(c1)CCCN([C@@H](C)C(=O)N1CCCC1)C2 69623286 PVTJRGPYWXGKNT-AWEZNQCLSA-N 302.418 2.454 0 40 DEAB CN(CC(=O)N(C)C)C[C@H](O)c1cc(Cl)ccc1Cl 51588506 OGHHAAMUSPVTTG-LBPRGKRZSA-N 305.205 2.047 0 40 DEAB C[C@H]1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)N1c1ccc(F)cc1 21267812 UDQNZGKRAQWMQT-JTQLQIEISA-N 315.304 2.194 0 40 DEAB O=S(=O)(CCc1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 41195060 YMIQBHSYQXWCNO-HOTGVXAUSA-N 309.431 2.202 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1c1cccs1 46485358 JMNFNBBGQUDMTQ-UONOGXRCSA-N 323.462 2.315 0 40 DEAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1 9453656 AQLASVBWQVOJJZ-JTQLQIEISA-N 306.362 2.105 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ncccc2O)C1 22264876 GPBVUSYDTKDSTK-NSHDSACASA-N 321.377 2.373 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100178875 HRRAYUPUFBTSDL-VGWMRTNUSA-N 323.348 2.314 0 40 DEAB COc1ccc(Nc2ncnc3c2cnn3C)cc1NC(C)=O 24214507 ZQCLKBGHOGYOHY-UHFFFAOYSA-N 312.333 2.074 0 40 DEAB Cc1ccccc1CN1CCN(C(=O)Nc2nncs2)CC1 43130857 BJBYVNUCFXBKSW-UHFFFAOYSA-N 317.418 2.196 0 40 DEAB FC(F)(F)c1cc(NC[C@@H]2CCCCO2)n2ncnc2n1 71828042 ZMGOKWZXBYUMEH-QMMMGPOBSA-N 301.272 2.124 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCc3sccc3C1)CS2 26708662 GMIXHORLHNUMMI-ABAIWWIYSA-N 322.455 2.087 0 40 DEAB C[C@@H](CC(=O)c1ccco1)NC(=O)c1cccc(-n2cccn2)n1 89894725 AQAZFQGBQPPORZ-LBPRGKRZSA-N 324.340 2.252 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(Cl)cc1)c1nnc2n1CCC2 89913808 DQQPBHSSIPKECI-SNVBAGLBSA-N 319.796 2.438 0 40 DEAB NC(=O)C1CCN(C(=O)NC[C@H]2CCCc3ccccc32)CC1 45041389 HUVSLNXZDNXKCR-OAHLLOKOSA-N 315.417 2.013 0 40 DEAB O=CN1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 3345324 FLLTYTIVTHIKCY-UHFFFAOYSA-N 318.229 2.464 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 89938725 RRNMMLXUMMABFK-GFCCVEGCSA-N 318.808 2.302 0 40 DEAB CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C)c2cccs2)C1 12987458 ZFGNLQHITOEFBO-QWHCGFSZSA-N 324.446 2.200 0 40 DEAB Cc1c(C(=O)NC(C)C)nnn1-c1cccc(Br)c1 48666402 QTDHLSILCKAPQN-UHFFFAOYSA-N 323.194 2.476 0 40 DEAB O=C(NC[C@H]1CCCO1)c1cc(Br)ccc1F 13010137 GQQHBAQZBXZBBD-SECBINFHSA-N 302.143 2.497 0 40 DEAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1F 49224346 APCXMWDYQNEQMZ-LBPRGKRZSA-N 320.364 2.421 0 40 DEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C 13419797 GMZSDJUITHYOPP-DGCLKSJQSA-N 321.373 2.467 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)OC 5246879 NSVOSINBMYHZAG-YGRLFVJLSA-N 321.377 2.354 0 40 DEAB COc1ccccc1-n1c(=O)c2c(c3c(N)ncnc31)CCCC2 8993303 LWOCGBPCCHEKBY-UHFFFAOYSA-N 322.368 2.250 0 40 DEAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cccc[n+]1[O-] 65564919 ZLYIUYZDRUWIJT-UHFFFAOYSA-N 323.352 2.256 0 40 DEAB O=C(Cc1ccc(F)cc1)Nc1ccnn1C[C@@H]1CCOC1 65522710 SUBQMLSVQFRLTH-ZDUSSCGKSA-N 303.337 2.240 0 40 DEAB CC1(CNC(=O)N2CCN(Cc3ccon3)CC2)CCCC1 96440047 UKZYAQHESYFUKE-UHFFFAOYSA-N 306.410 2.082 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(O)cc1 4689666 YAAOFDRMKFUPRX-QWRGUYRKSA-N 308.378 2.483 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1cc(-c2ccccc2F)on1 89938403 BNBNPJZNXNGCIN-LLVKDONJSA-N 303.337 2.257 0 40 DEAB COc1ccccc1S(=O)(=O)Nc1cccc(NC(C)=O)c1 5885246 MVSXQSQQOHKRQW-UHFFFAOYSA-N 320.370 2.454 0 40 DEAB Cc1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1O 75572401 SKAKXUNAXHZNNC-UHFFFAOYSA-N 308.341 2.211 0 40 DEAB O=C(N[C@@H]1CCCN(c2cccnc2)C1=O)N1CCCCCC1 96011043 VLDGLRKBACSIJV-OAHLLOKOSA-N 316.405 2.163 0 40 DEAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 68155921 IWYRUHUGVAANNB-GWCFXTLKSA-N 312.373 2.032 0 40 DEAB C[C@@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(N)=O 9550218 DPUPZCVIFJRNRJ-LLVKDONJSA-N 321.336 2.327 0 40 DEAB C[C@H]1Sc2ccc(C(=O)NCc3ccccn3)cc2NC1=O 7986907 IPLNHEWYXSSFRX-SNVBAGLBSA-N 313.382 2.444 0 40 DEAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccn1 96257579 OBKRCAOTMIRHNR-IGEMTJHASA-N 305.403 2.278 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 70038189 YTPHFKUXXCPBDE-HZPDHXFCSA-N 318.465 2.487 0 40 DEAB Cc1cnn(CCNCc2cc(Cl)c3c(c2)OCCO3)c1 70004933 AAUWGWMCHDQKGP-UHFFFAOYSA-N 307.781 2.406 0 40 DEAB CCc1nnc2n1N=C(c1ccc(C)cc1)[C@@H](CC(=O)O)S2 8391868 ZJANTAFRLXEJTG-LLVKDONJSA-N 316.386 2.350 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCCC[C@H]2C2OCCO2)c1 69517324 OLMCRSNMDOJECT-HNNXBMFYSA-N 321.373 2.071 0 40 DEAB Cc1cc(Cl)c2c(c1)[C@]1(NC(=O)c3cccnc3N1)C(=O)N2 84128951 AZUDOKVDXGZGJF-HNNXBMFYSA-N 314.732 2.004 0 40 DEAB Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)[nH]n1 97017814 RUXQGHKVZVVPDR-NSHDSACASA-N 301.346 2.081 0 40 DEAB O=C(NCCOCC(F)(F)F)N1CCCC[C@H]1c1cn[nH]c1 97049179 ZHDBAIXTWFASLJ-NSHDSACASA-N 320.315 2.225 0 40 DEAB CCc1cccc(CC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c1 97020821 RRSFWJKZIUHRHS-JKSUJKDBSA-N 302.418 2.342 0 40 DEAB COc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1C 72272184 CQZUOBICYMFYEE-AWEZNQCLSA-N 300.362 2.072 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 72235410 DEGRIIRLANNNRV-CABCVRRESA-N 306.410 2.018 0 40 DEAB CN(C)[C@H](CNC(=O)CCn1cccc1)c1cccc(F)c1 72306906 BTAMMXPFWSKQJQ-MRXNPFEDSA-N 303.381 2.436 0 40 DEAB COc1ccc(OC)c([C@H]2CCCN2c2nccn(C)c2=O)c1 72301783 PBNOGDUNFOYIBG-CQSZACIVSA-N 315.373 2.139 0 40 DEAB CC(=O)Nc1nc(CN2CCO[C@H](c3nccs3)C2)cs1 97203711 QQVJEHAIUBZPDI-NSHDSACASA-N 324.431 2.132 0 40 DEAB Cc1ccnc(NC[C@@H]2CCN(Cc3ccc(C(N)=O)cc3)C2)c1 97200727 LYZRJCRCPUYJOZ-INIZCTEOSA-N 324.428 2.423 0 40 DEAB COc1ccc2c(ccn2CC(=O)N[C@H]2CCC[C@@H]2OC)c1 79102364 YVCWKTNPNZEHFA-HOCLYGCPSA-N 302.374 2.334 0 40 DEAB Cc1ccc2nc(NC(=O)C[C@H]3CCS(=O)(=O)C3)sc2c1 72752344 CVYKUSKJUZIWNH-SNVBAGLBSA-N 324.427 2.368 0 40 DEAB CNc1snc(C)c1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 79657182 MVZQGSUARYQMNB-NSHDSACASA-N 321.406 2.121 0 40 DEAB Cn1c(-c2cnc(N3CCOCC3)nc2)nc2ccc(F)cc21 95442606 KINWBZKHRJKROR-UHFFFAOYSA-N 313.336 2.006 0 40 DEAB Cc1oncc1CN1CCN(C(=O)Cc2cccc(F)c2)CC1 98211258 KCLHRMGVSWHXRV-UHFFFAOYSA-N 317.364 2.009 0 40 DEAB COC(=O)c1sccc1Cn1cc(C(=O)N2CCCC2)cn1 95964864 RVXOSPFQIAWJHF-UHFFFAOYSA-N 319.386 2.016 0 40 DEAB COC(=O)[C@@H](C)[C@@H](NC(=O)Nc1cn[nH]c1)c1ccccc1 75106679 CQOBFZYPHCDIDG-GXFFZTMASA-N 302.334 2.082 0 40 DEAB Cc1ccc(C(=O)NC[C@@H](C)COCc2ccccc2)c(=O)[nH]1 75122509 DIQQAPBSPSEGTQ-CYBMUJFWSA-N 314.385 2.266 0 40 DEAB CC(C)C(=O)NC1CCN(C[C@@H](O)c2ccc(F)cc2)CC1 61022024 GRBKRARIEDQXSP-MRXNPFEDSA-N 308.397 2.096 0 40 DEAB CN(C)S(=O)(=O)N(C1=NC(C)(C)CS1)c1ccccc1 27526168 DIJQRRNRJBRQMQ-UHFFFAOYSA-N 313.448 2.181 0 40 DEAB CCC(=O)N1CC[C@@]2(C1)CN(Cc1cccnc1)c1cccnc12 306138985 SMIHCWLDPXKZAN-LJQANCHMSA-N 322.412 2.377 0 40 DEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NCCc2ccccc2)o1 39524778 WISCVWDUEQGSBX-ZDUSSCGKSA-N 301.342 2.492 0 40 DEAB COc1ccc(CN2CCN(c3nccn4ccnc34)CC2)cc1 306123593 AQYHBVWTNSLMAF-UHFFFAOYSA-N 323.400 2.060 0 40 DEAB Cc1cc(CC(=O)N[C@@H]2CCCN(c3ccccc3F)C2)n[nH]1 122818355 KBAFVLJFHWDDHW-CYBMUJFWSA-N 316.380 2.185 0 40 DEAB Cc1cc(C(=O)NC[C@H]2CCCO2)nc(N2CCCCCC2)n1 72241498 XWCJOMPXTQFLML-CQSZACIVSA-N 318.421 2.074 0 40 DEAB CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1nnnn1[C@H]2c1ccccc1F 72332427 LTKJRZLTFIEFSV-UBHSHLNASA-N 315.352 2.201 0 40 DEAB CCN(CCO)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391689 ZLFPUPNCSRRFBO-QGZVFWFLSA-N 320.433 2.349 0 40 DEAB CCCCC(=O)Nc1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 45953867 WVZUURXMJPFQMB-LLVKDONJSA-N 304.346 2.253 0 40 DEAB COC(CN1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1)OC 136753216 ZDTINQPCKJERSR-LLVKDONJSA-N 314.451 2.433 0 40 DEAB COC(=O)c1ccc(C(=O)Nc2nc3c(s2)COCC3)cc1 77155566 ZVILSSGULACVDS-UHFFFAOYSA-N 318.354 2.255 0 40 DEAB COc1cc(N(C)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 83321048 KQXNWBKZFANNKM-LBPRGKRZSA-N 322.409 2.321 0 40 DEAB Cc1cc(CC(=O)Nc2csc(N3CCCCC3)n2)n[nH]1 195553018 IFCBMYKUVHOETB-UHFFFAOYSA-N 305.407 2.346 0 40 DEAB O[C@H](CN1CCC(COc2ccccn2)CC1)C(F)(F)F 195564311 OOYXIRSEOBASFT-GFCCVEGCSA-N 304.312 2.096 0 40 DEAB CC(C)(C)OC(=O)CCC(=O)NC1CCN(C(C)(C)C)CC1 192385505 ONOPXEOUZCCOSN-UHFFFAOYSA-N 312.454 2.487 0 40 DEAB C[C@](NC(=O)CCc1ccco1)(C(N)=O)c1cccc(Cl)c1 96454827 DYLCDFYCFMJOQC-MRXNPFEDSA-N 320.776 2.383 0 40 DEAB COC[C@@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)N1C 96208659 CXIWRGHWKYEPPQ-ZDUSSCGKSA-N 323.462 2.167 0 40 DEAB Cc1cccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 96412721 ZMARWCGYLIUWOC-OAHLLOKOSA-N 302.418 2.226 0 40 DEAB COc1ccc(CC(=O)N2CCC3(CC2)C[C@@H](OC)CO3)cc1 96158788 AESJFEDBCZDNCC-MRXNPFEDSA-N 319.401 2.034 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)CO1 96219823 LWNSXAGBAXPQII-INIZCTEOSA-N 319.401 2.110 0 40 DEAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)CC1=CCCCC1)C2 248165762 ZSQHGOUTKMTKLL-INIZCTEOSA-N 306.450 2.446 0 40 DEAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)CC1=CCCCC1)C2 248165763 ZSQHGOUTKMTKLL-MRXNPFEDSA-N 306.450 2.446 0 40 DEAB Cn1cnc2c1[C@@H](C(=O)NC1CCC1)CN(CC1CCCC1)C2 248028101 KLDSJHLJARWSQO-HNNXBMFYSA-N 316.449 2.178 0 40 DEAB COc1ccc(CCNCc2c(C)nn(C)c2F)cc1OC 256051859 KTYBMNXNPAYOOR-UHFFFAOYSA-N 307.369 2.217 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1cncc(NC)n1 257292009 QJPOMVNDCYIJIA-CYBMUJFWSA-N 315.377 2.354 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)N[C@@H]1CCCC[C@@H](OC)[C@@H]1O 257237455 HGNVFJQSHOOIDI-DAXOMENPSA-N 323.437 2.075 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)c2ccc(OC(C)C)cc2)[C@H]1O 257306551 SUSQMDCZSSQCIV-BZUAXINKSA-N 307.390 2.132 0 40 DEAB O=C(CCc1ccccc1)N1C[C@@H](O)[C@H](Oc2ccccc2)C1 257227460 FPKCJYFULROOMX-QZTJIDSGSA-N 311.381 2.270 0 40 DEAB COCCN1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 257261863 LJBDWFXKEUHJLM-LBPRGKRZSA-N 319.434 2.421 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1ccnc(O)n1 257316721 VGROWGBCGGOCPU-CQSZACIVSA-N 317.320 2.064 0 40 DEAB C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 261637976 DPPMAGNINDKTAE-UOVKNHIHSA-N 321.348 2.305 0 40 DEAB c1ccc(OC[C@@H]2CN(Cc3ccncc3)Cc3ccnn32)nc1 585111784 HDZOZRDGOZLZLJ-KRWDZBQOSA-N 321.384 2.309 0 40 DEAB Cc1ccccc1CCNC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 42381592 ZRESHUWTRYADLX-QGZVFWFLSA-N 314.429 2.302 0 40 DEAB O=C(O)c1c(O)cnc2cc(I)ccc12 685937032 IAGFGAIHEXDCAP-UHFFFAOYSA-N 315.066 2.243 0 40 DEAB CN1C[C@@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1=O 46126986 QBPNNTDNXAZPEE-ZETCQYMHSA-N 318.707 2.358 0 40 DEAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1 57554473 ZNNPBNUZXQTJSS-CQSZACIVSA-N 301.390 2.002 0 40 DEAB COc1ccccc1N1CC[C@H](CNc2ncnc3[nH]cnc23)C1 58182875 WWCQPOGHOJSCOI-GFCCVEGCSA-N 324.388 2.300 0 40 DEAB CC[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CCO1 69453822 KVMNWASGXDAIFZ-KGLIPLIRSA-N 311.451 2.171 0 40 DEAB Cc1ccccc1C1(CNC(=O)N[C@@H](C)c2nncn2C)CC1 69708582 LWQGPNOTEHEODE-ZDUSSCGKSA-N 313.405 2.216 0 40 DEAB COc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1F 69872895 OFMIRLXAJLYHPL-AWEZNQCLSA-N 304.369 2.338 0 40 DEAB Nc1nc(Cl)cc(NCc2nc(-c3cccs3)n[nH]2)n1 66467982 SVIKCKITGDRMRK-UHFFFAOYSA-N 307.770 2.171 0 40 DEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C2 169804857 OSEBHMPQLPAGFK-CIUDSAMLSA-N 308.300 2.205 0 40 DEAB CSC[C@](C)(O)CN[C@H]1CCCN(Cc2ccccc2)C1 96478068 UYYDVFOUAAFZAJ-DLBZAZTESA-N 308.491 2.355 0 40 DEAB CC(C)OC(=O)Cn1c([C@@H]2CCCNC2)cc2cccnc21 19450382 HDMOPGJLHRVCJA-CQSZACIVSA-N 301.390 2.455 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCOCC2)cc1 19727257 FFZYPUYWTIIDEL-CGTJXYLNSA-N 314.429 2.437 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCCCCC1)C(=O)CO2 4374626 PZZUWPOZGLECBM-UHFFFAOYSA-N 302.374 2.123 0 40 DEAB CC(=O)N1CCC[C@H](c2ccnc(Nc3nccs3)n2)C1 643550895 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CCOCCCNC(=O)c1nn(-c2ccccc2)cc1OC 17401520 MXLTWLJBBCXLPS-UHFFFAOYSA-N 303.362 2.037 0 40 DEAB NNc1ncc(C(=O)OCc2ccccc2)c(C(F)(F)F)n1 160003 PFMNDBBXZIJINV-UHFFFAOYSA-N 312.251 2.138 0 40 DEAB Cn1ccc2ccn(CC(=O)NC3CCCCCC3)c(=O)c21 69744243 AVIQGKBGJALRRZ-UHFFFAOYSA-N 301.390 2.179 0 40 DEAB O=C(COC1CCCC1)N1CCCN(Cc2cscn2)CC1 69776776 RPVZPVVATRVQNG-UHFFFAOYSA-N 323.462 2.137 0 40 DEAB COc1c2c(c(NC(=O)CC(C)C)c3c1OCO3)CCN(C)C2 32124121 WQFLNXGREVUHKU-UHFFFAOYSA-N 320.389 2.396 0 40 DEAB biogenic CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680778 AKCUEHPYQKBJIH-UHFFFAOYSA-N 316.448 2.063 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cncn1C 100141161 KGFAVEDGRVSZFJ-WFASDCNBSA-N 308.389 2.033 0 40 DEAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 2747004 HVIFAXMXRFHMBW-VOAKCMCISA-N 307.733 2.241 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cccnc1N1CCCC1 33116926 TVEXEWLUEMBGIT-HNNXBMFYSA-N 323.396 2.415 0 40 DEAB NC(=O)[C@@H](Sc1nnc(N2CCCC2)s1)c1ccccc1 52912829 BZEZUIVCWRODAC-NSHDSACASA-N 320.443 2.457 0 40 DEAB NC(=O)[C@H]1CCc2sc(NC(=O)c3ccc(F)cc3)nc21 9131709 QHKBWYVJODHDLR-VIFPVBQESA-N 305.334 2.050 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)NCc2csc(C)n2)c1 42114368 MNUDFWGLTGKOPA-UHFFFAOYSA-N 310.400 2.133 0 40 DEAB CCn1cc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)ccc1=O 47181568 WLBYZVUZZFIFSY-CQSZACIVSA-N 318.760 2.464 0 40 DEAB O=C(C[C@@H]1[C@@H]2CN(Cc3ccco3)C[C@@H]21)NCc1ccco1 107745931 QNRCQYJTCANNLO-MUJYYYPQSA-N 300.358 2.257 0 40 DEAB NC(=O)[C@@H](c1ccccc1)N1CCN(Cc2cccs2)CC1 23248518 GZCJEPBSQWFWIN-MRXNPFEDSA-N 315.442 2.092 0 40 DEAB Cc1ccc(/C=C/c2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)o1 23231901 ACENGNGXLSLTAR-JARNTUPDSA-N 306.391 2.445 0 40 DEAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)N1CCOCC1 57632482 CTQCNXXTBVRNFY-NSHDSACASA-N 304.173 2.321 0 40 DEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCC1 57355778 UPTUSECKGUEHNL-UHFFFAOYSA-N 318.373 2.045 0 40 DEAB COc1ccc(-c2nn(CCC(=O)O)cc2CCC(=O)O)cc1 3272961 WRQOUZFFKJRFGI-UHFFFAOYSA-N 318.329 2.051 0 40 DEAB C[C@@H](NC(=O)NCc1ccccn1)c1ccc(-n2cncn2)cc1 44889598 SQAPOYUJPXZSST-CYBMUJFWSA-N 322.372 2.223 0 40 DEAB Cc1c(C(=O)N(C)Cc2cnn(C)c2)oc2c1C(=O)CCC2 44967060 DUUVWAXMZVHVDC-UHFFFAOYSA-N 301.346 2.113 0 40 DEAB C[C@H](CCNC(=O)NCCNc1ncccn1)c1ccccc1 58343966 YVVLFHUOUYOXTO-CQSZACIVSA-N 313.405 2.382 0 40 DEAB C[C@H](COCC(F)(F)F)NC(=O)CN(C)Cc1ccccc1 58368893 GFDCDRSXCOSBSQ-GFCCVEGCSA-N 318.339 2.202 0 40 DEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2cc3ccccc3[nH]2)C1 58377706 CJKYCIDWWMGKGQ-CHWSQXEVSA-N 321.446 2.480 0 40 DEAB CCCCN(C(=O)c1cc2c([nH]c1=O)CCCC2=O)C1CC1 45434856 CMGWHTLEPZDSTJ-UHFFFAOYSA-N 302.374 2.299 0 40 DEAB O=C(COC(=O)c1ccccc1O)NCc1ccc(F)cc1 3512435 DMOFYBUBWHRBPU-UHFFFAOYSA-N 303.289 2.005 0 40 DEAB COc1cccc(N2C[C@@H](C(=O)NCc3ccccc3)CC2=O)c1 8247506 WAIKKTCIMUHQRD-HNNXBMFYSA-N 324.380 2.365 0 40 DEAB C[C@H](Cn1cccn1)NC[C@@H](O)c1cccc(Br)c1 49075830 UBTGEFJQULOZIJ-BXUZGUMPSA-N 324.222 2.357 0 40 DEAB CC(C)CNC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCO2 8319815 XJFKCPVQTWQDIP-HNNXBMFYSA-N 318.417 2.367 0 40 DEAB COC(=O)[C@@H](CC(C)=O)c1cc(=O)oc2cc(OC)ccc12 13689569 HQPSGQYWSRRQAP-ZDUSSCGKSA-N 304.298 2.037 0 40 DEAB CCN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2)CC1 49992853 QETDAWLMDCTJSR-UHFFFAOYSA-N 318.808 2.303 0 40 DEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)c(F)c1 5291916 ILIZQBFUBHLPIT-UHFFFAOYSA-N 322.311 2.402 0 40 DEAB Cc1cnn(C[C@H](C)NCc2nc(-c3cccs3)no2)c1 69536367 DHYFIDIJFTWWRG-NSHDSACASA-N 303.391 2.481 0 40 DEAB COC(=O)c1ccc(C)c(NC(=O)CSc2ncccn2)c1 6911470 ZLTGCMANZXXYCR-UHFFFAOYSA-N 317.370 2.302 0 40 DEAB Cc1nnc(CN2CCc3c(ncn3CCc3ccccc3)C2)o1 96004558 GBRASHYONMHQST-UHFFFAOYSA-N 323.400 2.376 0 40 DEAB CC(=O)c1ccc(NC(=O)CCSc2nnc(N)s2)cc1 20290701 WJXKZBGAZKHKQV-UHFFFAOYSA-N 322.415 2.444 0 40 DEAB CSC[C@](C)(O)CNC(=O)C1(c2cccc(F)c2)CCC1 96414639 DYXOGMZVJOCDRK-OAHLLOKOSA-N 311.422 2.478 0 40 DEAB CCOC(=O)c1csc(NC(=O)c2cc(C3CC3)[nH]n2)n1 71896362 LRSPPFXEJCUZIQ-UHFFFAOYSA-N 306.347 2.173 0 40 DEAB O[C@@H](CN1CCC[C@@H]1Cn1cccn1)c1cc(F)ccc1F 71875670 PIRBFAVZGTWXPV-CJNGLKHVSA-N 307.344 2.359 0 40 DEAB CCN(CC)CC1CCN(C(=O)c2ccc(N(C)C)nc2)CC1 71841807 JKLZUGMAIWJRCD-UHFFFAOYSA-N 318.465 2.342 0 40 DEAB O=C(NC1CCSCC1)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 71900146 ZKKPSAMUNLRUFK-GJZGRUSLSA-N 324.490 2.427 0 40 DEAB O=C(c1ccnc(Cl)c1)N(CCO)CCc1ccccc1 71903220 JBGCIZRNTHQSMQ-UHFFFAOYSA-N 304.777 2.412 0 40 DEAB CCO[C@@H](C)C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C 71905569 OPTXCCYRTRCSMV-LRDDRELGSA-N 316.442 2.467 0 40 DEAB CC[C@H](NC(=O)Nc1cncnc1N(C)C)c1c(C)noc1C 97083094 IZSVIYYEBZBJGV-NSHDSACASA-N 318.381 2.420 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cccnc3)C2)s1 97015869 RODZPGMQPSMBKM-CYBMUJFWSA-N 324.427 2.294 0 40 DEAB O=C1C[C@@H](C(=O)Nc2nnc(-c3ccoc3)[nH]2)c2ccccc2N1 72286807 UQMDNWYOBKKAMK-LLVKDONJSA-N 323.312 2.129 0 40 DEAB O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1ncccn1 97165112 DENOHNLDUGRLJB-UHFFFAOYSA-N 317.292 2.437 0 40 DEAB COc1ncnc2c1CN(C[C@@H](O)c1ccc(Cl)cc1)CC2 97201905 XBSNKNOJOZBZNF-OAHLLOKOSA-N 319.792 2.230 0 40 DEAB CN(C)c1ncnc2c1CN(Cc1nc3ccccc3o1)CC2 97202527 ILHFJCRXWWNZJX-UHFFFAOYSA-N 309.373 2.242 0 40 DEAB CCn1cc(NC(=O)C(=O)NCCCCC(C)(C)C)ccc1=O 76018275 HUGFFLWLFJTMQN-UHFFFAOYSA-N 321.421 2.139 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 84687097 YJETVVXCYLVIFI-GHMZBOCLSA-N 310.419 2.358 0 40 DEAB CC[C@@H](c1ccncc1)N(CC)C(=O)N[C@@H](C)c1nncn1C 95399967 IFAPJTPZEIELSL-JSGCOSHPSA-N 316.409 2.454 0 40 DEAB Cc1cc(CN2CCC(N(C)c3nccc(C)n3)CC2)on1 95398931 NEMRXAKURRVIAV-UHFFFAOYSA-N 301.394 2.182 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCCCn2ccnc2C)C12CCC2 95405297 PVCQLDUWCUVFBN-HUUCEWRRSA-N 320.437 2.229 0 40 DEAB CN(C(=O)C[S@](=O)Cc1cc(-c2cccs2)on1)C1CC1 95406565 BNTZDYOWMFUZNJ-NRFANRHFSA-N 324.427 2.273 0 40 DEAB O=C(Nc1nncn1-c1ccccc1)[C@@H]1COc2ccccc21 95983090 ZFXRMLJRPOFVAA-CQSZACIVSA-N 306.325 2.382 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)NCc3c(C)n[nH]c3C)CCO2)o1 95974306 LQVNICGWJCTZEL-OAHLLOKOSA-N 318.377 2.211 0 40 DEAB OCCNC1(c2ccc(Br)cc2)CCOCC1 95963678 UMCRZNAKSJDRKV-UHFFFAOYSA-N 300.196 2.037 0 40 DEAB COCCc1ccc(S(=O)(=O)Nc2ccncc2C)cc1 95958741 SCEKIANOOCZLRW-UHFFFAOYSA-N 306.387 2.380 0 40 DEAB CC(C)C(=O)Nc1cccc(F)c1C(=O)NCc1ncc[nH]1 78966151 BSRHOLVWPSIKOY-UHFFFAOYSA-N 304.325 2.073 0 40 DEAB Cc1n[nH]cc1CN[C@H]1CCN(c2cccc(Cl)c2)C1=O 79020778 LHNBKWINZNMVJG-AWEZNQCLSA-N 304.781 2.267 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)COc1c(C)nn(C)c1C 89275109 PNQOYKYVDFUULC-QWHCGFSZSA-N 311.451 2.206 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@@H]1COc2ccccc2C1 65478102 YUXNYRLONMKDEQ-CQSZACIVSA-N 314.433 2.135 0 40 DEAB C[C@H]1CN(c2nccc3c(O)ncnc23)CCN(C2CCC2)C1 514873339 PKUSLXYUNREHDU-GFCCVEGCSA-N 313.405 2.041 0 40 DEAB CCCn1c(N2CCC[C@@H](C)C2)nc2c(C)nn(C)c2c1=O 32652941 SXSNAHKDDOJDNK-LLVKDONJSA-N 303.410 2.085 0 40 DEAB CC(C)(C(=O)NCC1(O)CCSCC1)c1cccc(F)c1 75260128 QDQSENGQHHZZOM-UHFFFAOYSA-N 311.422 2.478 0 40 DEAB COc1cccc(NC(=O)N[C@H](CO)Cc2ccccc2)c1 71926616 OQNANYRAFYDHML-HNNXBMFYSA-N 300.358 2.420 0 40 DEAB C[C@](O)(CNC(=O)NC1CCSCC1)c1ccsc1 77581191 OMTRXFPEKQRLQD-ZDUSSCGKSA-N 300.449 2.150 0 40 DEAB Cc1cccc(Nc2cccc([C@H]3CCCN3CC(N)=O)n2)n1 72383051 LEZNDOJSBDAUDF-CQSZACIVSA-N 311.389 2.151 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)cc2)C1 45954070 PUTPSDKITUTGTD-CYBMUJFWSA-N 302.374 2.203 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2C[C@H](O)Cn2cccn2)c1 75838478 BAMBIHYUISBANT-ZWKOTPCHSA-N 314.433 2.147 0 40 DEAB Cc1nc(CCNC(=O)CCc2ccc(C(=O)O)cc2)cs1 136893352 JMAKEBJCHBCJGQ-UHFFFAOYSA-N 318.398 2.441 0 40 DEAB CC[C@@H](C)c1noc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 41122084 URAFEIXZFHDQSD-DGCLKSJQSA-N 307.394 2.468 0 40 DEAB CCOC(=O)c1cnc(NC(=S)NCC(C)(C)C)nc1C 225225405 DWEQPJMWJSJICE-UHFFFAOYSA-N 310.423 2.294 0 40 DEAB Cc1cnc(CCNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)s1 225458781 JVCKJXBLQKZSJG-OLZOCXBDSA-N 309.435 2.347 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)c(Cl)c2)C1 45958263 QSRUVQJPTVCBCI-JTQLQIEISA-N 308.765 2.378 0 40 DEAB Cc1ccc(C(=O)NCCCN2CCN(C)CC2)c(Cl)c1 191152554 UISYAABHPOMSFF-UHFFFAOYSA-N 309.841 2.016 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)Oc2cccc3c2CCCC3)C1 80387199 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2.054 0 40 DEAB O=C(OC1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45264711 RWIASFHLGNTGSR-NSHDSACASA-N 317.341 2.254 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc3ccccn23)C1 3328776 ZBFCKPROCQSUMS-VXGBXAGGSA-N 304.419 2.326 0 40 DEAB O=C(CSC1=NCCS1)Nc1ccc2c(c1)OCCO2 8329243 XOKGJKXBGVXHTR-UHFFFAOYSA-N 310.400 2.232 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NCCNc1cnccn1 48354479 LFPMWJFIIDSQSE-UHFFFAOYSA-N 305.407 2.207 0 40 DEAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 70173598 JVFINNUPDNOYRK-GHMZBOCLSA-N 302.827 2.088 0 40 DEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccncc1 3534406 DDTKFDFBSYZNBY-UHFFFAOYSA-N 313.357 2.191 0 40 DEAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)NC1CC1 48626780 YPSUZWPQQDDEKK-UHFFFAOYSA-N 316.357 2.335 0 40 DEAB CCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 3903740 LGIAPXVOZIRQPS-ZXFNITATSA-N 319.401 2.054 0 40 DEAB Cc1cccc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)c1 69512600 YRXRSYVSVLINDT-OAHLLOKOSA-N 324.388 2.301 0 40 DEAB CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C[C@H]1CCCO1 69535128 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Cc1ccc(CNC(=O)[C@@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)cn1 66918390 OIICEMPDUVTWOW-HLLBOEOZSA-N 319.449 2.140 0 40 DEAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)Nc1ccccc1 8981417 JAXPIEYAEVRNEH-NSHDSACASA-N 304.375 2.387 0 40 DEAB C[C@@H]1CC(C)(C)C[C@](CO)(NCC(=O)NCc2ccco2)C1 80900678 BQQGJISXNFVIPM-CXAGYDPISA-N 308.422 2.063 0 40 DEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@H](C)Cc1ccco1 81535797 JVKOQBASXUCWEA-SNVBAGLBSA-N 317.389 2.330 0 40 DEAB CCN1CCN(c2ccc(NC(=O)c3cc(C)no3)cc2)CC1 9368855 AQXYSPHJUHOYCO-UHFFFAOYSA-N 314.389 2.377 0 40 DEAB CC(C)CCN1C(=O)c2ccc(C(=O)NC3CC3)cc2C1=O 9498565 VYQAKZFEAMMFFZ-UHFFFAOYSA-N 300.358 2.221 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)C1C2CC3CC(C2)CC1C3 96442232 DXNQTKSJSRGWBQ-BPHCLYMKSA-N 306.406 2.145 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCCC[C@H]1Cn1cccn1 71865182 UUMVONDBJHURLM-ZDUSSCGKSA-N 300.362 2.443 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)NC2CCN(C3CC3)CC2)C1(C)C 76091564 LUFHQUSRAHOQJD-WMLDXEAASA-N 309.454 2.116 0 40 DEAB C[C@H](CCC(=O)O)NC(=O)Cc1ccccc1Br 97039205 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CCNC(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 95945382 UAIWPAPLRIJMLQ-SNVBAGLBSA-N 313.283 2.232 0 40 DEAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3ccccn3)C2)n1 79492400 ZGGPSIYXQYXXCY-AWEZNQCLSA-N 311.389 2.344 0 40 DEAB Cn1cncc1CS(=O)(=O)c1cccc(Br)c1 75110048 VVGNVPJOXDENLV-UHFFFAOYSA-N 315.192 2.157 0 40 DEAB CCc1nc(CNCCc2nnc3n2CCCCC3)cs1 67698192 RGXWPUKRIDBJFJ-UHFFFAOYSA-N 305.451 2.356 0 40 DEAB O=C(O)[C@H]1CS[C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1 62712170 AMUWTPNREZFCJZ-ZJUUUORDSA-N 320.197 2.221 0 40 DEAB Cc1cc(NC(=O)CCS(=O)(=O)c2ccccc2)sn1 38680750 HGUJWQULPAJSBP-UHFFFAOYSA-N 310.400 2.254 0 40 DEAB Cc1cnn(CC(=O)NC[C@H](Nc2ccccc2)C(C)C)c1 77612686 DYIAEYJAIUQFGD-INIZCTEOSA-N 300.406 2.444 0 40 DEAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCOC1 76388567 ZCAVCVKHYBJBQU-DOTOQJQBSA-N 302.418 2.146 0 40 DEAB NC(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1ccc(Cl)cc1 72366181 GICAGSDHHINSKE-ZDUSSCGKSA-N 304.781 2.499 0 40 DEAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccccn2)cc1 42646759 KWPPMRKAFNEPGR-UHFFFAOYSA-N 313.357 2.124 0 40 DEAB Cn1cc(C(=O)OCc2cn(-c3ccc(Cl)cc3)nn2)cn1 84851823 VQCLIXRATYVAKM-UHFFFAOYSA-N 317.736 2.011 0 40 DEAB CC(C)CN1N=C(C(=O)Nc2nccn2CC(C)C)CCC1=O 131260299 MVVLMUQWAUOQSS-UHFFFAOYSA-N 319.409 2.112 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)NCC[C@@H](O)c1ccco1 77111572 SDLPFJIPUQMALN-BRADTZPFSA-N 307.371 2.293 0 40 DEAB O=C1C[C@]2(CCN(Cc3ccsc3)C2)CN1c1cncnc1 96050825 ZKVIXESNHKCFRV-INIZCTEOSA-N 314.414 2.167 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)c1c(C)noc1C(C)C)C2 97198121 GBTJGJUGPWAURC-LBPRGKRZSA-N 302.378 2.356 0 40 DEAB CCc1nsc(N2CCN(C(=O)c3ccc(CC)o3)CC2)n1 96432227 VUIOJCJSSLRKNL-UHFFFAOYSA-N 320.418 2.218 0 40 DEAB Cc1nc(SCC(=O)NCCOc2ccccc2)[nH]c1C 96136924 LJJCTCGWZOSWFW-UHFFFAOYSA-N 305.403 2.314 0 40 DEAB CC(C)CN1CC[C@H](C(=O)Nc2ccccc2-n2ccnn2)C1 96496473 JQZBTCKKRJWPCS-AWEZNQCLSA-N 313.405 2.184 0 40 DEAB O[C@@H](CNc1ccc(Br)cn1)C1CCOCC1 96417301 POWSSVQMICSNNU-NSHDSACASA-N 301.184 2.044 0 40 DEAB C[C@H](c1ccccc1F)N(C(=O)CSCC(N)=O)C1CC1 96411218 BIVGLPMFCCHQFA-SNVBAGLBSA-N 310.394 2.096 0 40 DEAB O=C(CCn1nnc2ccccc21)N1CCCC[C@H]1c1ccn[nH]1 257259685 KZNBQUMRKNZSFS-HNNXBMFYSA-N 324.388 2.298 0 40 DEAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)CO)[C@H]1CCCCCN2 257250393 JMIQQEAJTJOGOJ-AOIWGVFYSA-N 316.445 2.113 0 40 DEAB OCCOc1cccc(CN2CCC[C@@H](c3ccncn3)C2)c1 257213625 CIJSARDJTSIAIL-MRXNPFEDSA-N 313.401 2.227 0 40 DEAB CC(C)CC(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575404324 NAMUWDIEMZQIFP-INIZCTEOSA-N 318.417 2.404 0 40 DEAB CO[C@]1(COc2cccc(F)c2)CCN(C(=O)c2cnoc2)C1 585275031 UGEIADBYNANOJK-MRXNPFEDSA-N 320.320 2.124 0 40 DEAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1c[nH]c2ccccc12 685939117 CLIBIZOICYQEMS-SNVBAGLBSA-N 310.375 2.042 0 40 DEAB Cn1nc(C(=O)N2CCC[C@H]2CCc2ccccc2)ccc1=O 55484521 HGMHYIPNISOFHL-HNNXBMFYSA-N 311.385 2.018 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 94598389 RTUCVKUNDLTHJM-SSDOTTSWSA-N 305.227 2.391 0 40 DEAB O=C1C[C@@H]([C@H]2CCCCN2c2ncnc3sccc23)CN1 95449524 IDGXZYCPEAZRIG-ZYHUDNBSSA-N 302.403 2.186 0 40 DEAB CC(C)(C)c1nnc(N2CCC[C@@H](CS(C)(=O)=O)C2)s1 515747978 KVAYAAWNDUBVAB-SNVBAGLBSA-N 317.480 2.097 0 40 DEAB Cc1cc(N2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)n2ncnc2n1 548892247 ZNIXXJFPVGAOFU-GJZGRUSLSA-N 320.400 2.005 0 40 DEAB O=C(Oc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 12848260 GWYBQIRISKFNRF-UHFFFAOYSA-N 317.366 2.347 0 40 DEAB O=C(CSc1ccccc1F)NCCCN1CCCC1=O 12975646 YFXQREQTNONDKW-UHFFFAOYSA-N 310.394 2.047 0 40 DEAB O=C(O)Cc1ccc(NC(=O)COc2ccccc2F)cc1 13439742 OABQAGQPFNXLLB-UHFFFAOYSA-N 303.289 2.470 0 40 DEAB Cn1nccc1C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19289124 VXLJREDUCNQHRC-CYBMUJFWSA-N 309.373 2.316 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@@H]3CSCN3)CC2)cc1C 154620992 KGHLQNWENBNSDO-INIZCTEOSA-N 320.458 2.336 0 40 DEAB CO[C@@H]1COC[C@@H](N(C)Cc2cccc(Cl)c2Cl)[C@@H]1O 643585942 FMBFRMWUXNVTOQ-BZPMIXESSA-N 320.216 2.200 0 40 DEAB Cc1nnc2ccc(C(=O)Nc3ccc(Cl)c(F)c3)nn12 1888890333 HHSQFZJEPIPZGY-UHFFFAOYSA-N 305.700 2.478 0 40 DEAB C[C@@H](OC(=O)c1cccnc1Sc1ccccc1)C(N)=O 15127337 QBCGWRMSNRFGJB-SNVBAGLBSA-N 302.355 2.263 0 40 DEAB COc1cccc(-c2cc(NC(=O)[C@@H]3OCC[C@@H]3C)n(C)n2)c1 95447516 ZYMGEYGRJXCRGR-MEDUHNTESA-N 315.373 2.459 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(Cc1cccc(OC)c1)CC2 96421787 DMAHSPSVYCMKQC-DLBZAZTESA-N 305.418 2.447 0 40 DEAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)Cc2ccccc2C)no1 40496761 AXIZSGMBLAULCG-LBPRGKRZSA-N 322.386 2.233 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 40539271 JVDXMPVQCPBINP-OAHLLOKOSA-N 304.390 2.275 0 40 DEAB O=S(=O)(NCc1ccn(-c2ccccc2)n1)c1ccccc1 40554307 RICYLOWVKVTRKK-UHFFFAOYSA-N 313.382 2.351 0 40 DEAB C[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1ccccn1 40553440 VFUGYZQZSCFJOC-LBPRGKRZSA-N 310.357 2.102 0 40 DEAB Cc1cc2nnc(SCC(=O)N(C)C)n2c2ccccc12 106755 IQZYJBCLVXRNQJ-UHFFFAOYSA-N 300.387 2.371 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29308242 VFDHEWXDASKCAK-CBAPKCEASA-N 302.783 2.306 0 40 DEAB CNC(=O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 69740576 NHLILUQEWFNAAI-AWEZNQCLSA-N 313.401 2.085 0 40 DEAB CCN(CC)CCOC(=O)[C@](O)(c1ccccc1)c1ccco1 6382293 RRBIZLNORNLNKP-SFHVURJKSA-N 317.385 2.401 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1OC 7703779 IRACZFASUBIZNI-JTQLQIEISA-N 311.359 2.336 0 40 DEAB CCN1C(=O)N[C@H](c2ccc(F)c(F)c2)C(C(=O)OC)=C1C 7707930 QTAVIPHNWXIBEI-CYBMUJFWSA-N 310.300 2.498 0 40 DEAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@@H]2CCCCO2)C1=O 21736719 WAHLZCKCSUMYKX-ZBEGNZNMSA-N 324.327 2.301 0 40 DEAB Cc1nc(C)c(S(=O)(=O)NC(=O)C2[C@@H]3CCCC[C@@H]23)s1 102688861 KYCSORFBINODET-NXEZZACHSA-N 314.432 2.001 0 40 DEAB COCCNc1nc(Nc2ccc(C)cc2)c2cnn(C)c2n1 9273233 KVORJEMBCKNMPL-UHFFFAOYSA-N 312.377 2.474 0 40 DEAB CC(C)CO[C@H](C)C(=O)Nc1cccc(NS(C)(=O)=O)c1 42473156 SBAXNLWJTRDDRO-LLVKDONJSA-N 314.407 2.058 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)N[C@H](C)Cn1ccnc1)C2 42535861 MLUSOEVMWIZEQS-DOMZBBRYSA-N 301.415 2.413 0 40 DEAB CN(c1ccc(F)c(F)c1)S(=O)(=O)C[C@@H]1CCCCO1 68898752 HYODTXDBDNQRBB-NSHDSACASA-N 305.346 2.300 0 40 DEAB COC(=O)[C@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1 33834669 QSZIZGDXXHPRLW-MRXNPFEDSA-N 321.336 2.274 0 40 DEAB CCc1nnsc1C(=O)/N=c1/sc2ccccc2n1C 105394920 YIHFLCIHGZOPNW-BUHFOSPRSA-N 304.400 2.395 0 40 DEAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3ON2c2ccccc2)cc1 100816044 CAVFFBJJNMNHHB-BBWFWOEESA-N 322.364 2.471 0 40 DEAB Cc1nc2ccccc2n1CCCNC(=O)NC[C@@H]1CCOC1 43471198 VSNRAEJAQUBZGM-AWEZNQCLSA-N 316.405 2.071 0 40 DEAB CC[C@@H](C)NC(=O)CCNC(=O)NCCc1ccccc1C 56330908 VZPWWPMBBDOAKR-CQSZACIVSA-N 305.422 2.142 0 40 DEAB COC(=O)[C@@]1(C)[C@H]2C=C[C@H]3C2C2[C@@H]1C=C[C@H]2[C@]3(C)C(=O)OC 101037115 TVORUACKVGFVBB-JMAYSDQTSA-N 302.370 2.209 0 40 DEAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 108349020 KHPYIQHBMOJHDW-VGWMRTNUSA-N 304.434 2.426 0 40 DEAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108349012 KHPYIQHBMOJHDW-YHUYYLMFSA-N 304.434 2.426 0 40 DEAB CN(CCNC(=O)NCCc1ccccc1)C(=O)OC(C)(C)C 58224360 UJRHGUFXUWTWEW-UHFFFAOYSA-N 321.421 2.395 0 40 DEAB COCCCC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 44966824 ARJGCIPRYNMSDO-STQMWFEESA-N 307.394 2.060 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N(C)C1CCNCC1 36300087 SMPUAHUEYIHLIT-UHFFFAOYSA-N 302.827 2.021 0 40 DEAB CN(C)S(=O)(=O)c1cccc(COC(=O)[C@@H]2CC=CCC2)c1 10849941 STJBOFNMZWFXII-CQSZACIVSA-N 323.414 2.336 0 40 DEAB CNc1nnc(S[C@@H](C)C(=O)N2CCCCCC2)s1 8175195 SQKCDWNJOWHTQV-VIFPVBQESA-N 300.453 2.463 0 40 DEAB Cc1cc(CNCc2ccc(S(N)(=O)=O)s2)ccc1F 69815703 WFFIOLGXOPIKOF-UHFFFAOYSA-N 314.407 2.133 0 40 DEAB CC(C)CN(CC(C)C)C(=O)CS[C@@H]1CCS(=O)(=O)C1 69817602 WOTQQIYGMGAFMF-CYBMUJFWSA-N 321.508 2.047 0 40 DEAB O=C(CN1CSCC1=O)N[C@H]1CCCCc2ccccc21 69350766 PLUZJYLYOUPXRC-AWEZNQCLSA-N 304.415 2.103 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)c1csc2c1CCCC2 65399573 CLXOVVXIVUERMG-UHFFFAOYSA-N 316.430 2.437 0 40 DEAB O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCCN(C(=O)C2CC2)C1 65625258 NWHXVZAZNHNMID-GFCCVEGCSA-N 312.373 2.150 0 40 DEAB CCOC(=O)[C@H]1Sc2nnc(C)n2N[C@H]1c1ccc(F)cc1 4717313 FEDBWGAQUDHLRL-RYUDHWBXSA-N 322.365 2.048 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCc2ccc(OC)cc2)c1C 28577796 SSRVUKCLNRLCLK-UHFFFAOYSA-N 323.418 2.007 0 40 DEAB CCn1cc(CN2CCCN(C(=O)c3occc3C)CC2)cn1 69591545 KPOOPEBWWXCBDS-UHFFFAOYSA-N 316.405 2.153 0 40 DEAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCCC[C@H]1C 69591106 TZMPCKMVUVXCTN-NEPJUHHUSA-N 314.389 2.082 0 40 DEAB COCCNC(=O)c1c(C)nn(-c2ccc(F)cc2)c1Cl 17321288 FIWAHJMGMMHBBI-UHFFFAOYSA-N 311.744 2.349 0 40 DEAB CC(C)OCCN1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 69656605 PZLAQLXGCCJSDG-ZDUSSCGKSA-N 308.426 2.051 0 40 DEAB COc1cc(/C=C/C(=O)N2CCCCC2)c(OC)c2c1OCO2 15086048 FOYJHKZVPQPOLY-VOTSOKGWSA-N 319.357 2.458 0 40 DEAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 7608536 PPIYXLVCLWPACN-VIFPVBQESA-N 318.826 2.119 0 40 DEAB CCc1ccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)cc1 20156372 VVZAYWABUCXCKC-UHFFFAOYSA-N 304.371 2.393 0 40 DEAB CC[C@@H](NC(=O)N1CCOC2(CCCC2)C1)c1noc(C)n1 89948009 MENHCXGUYICWKY-GFCCVEGCSA-N 308.382 2.184 0 40 DEAB Cc1ccc(SCCNC(=O)Cn2c(C)csc2=O)cc1 9889020 KSOVDPVKKMAXTF-UHFFFAOYSA-N 322.455 2.435 0 40 DEAB Cn1c(=O)c2ccccc2n2c(SCc3ccccn3)nnc12 9364439 JMPZPZXYQLXEDQ-UHFFFAOYSA-N 323.381 2.269 0 40 DEAB COCCS(=O)(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 72273664 NDXFRAKHLVLAHG-SECBINFHSA-N 311.325 2.332 0 40 DEAB CN(Cc1cnc[nH]1)[C@@H](CO)c1cccc(Br)c1 93815547 KUPRKESVIBJTPJ-ZDUSSCGKSA-N 310.195 2.338 0 40 DEAB O=C(NCC[C@@H]1CCCO1)[C@H]1CCCCN1Cc1cccnc1 71893252 BZYFMGCXJYFENV-DLBZAZTESA-N 317.433 2.121 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 71829705 MWVJTOVVTDFJDL-DZGBDDFRSA-N 304.365 2.042 0 40 DEAB O=C(CCc1ccco1)N1CCC(Nc2cccnn2)CC1 71863335 FWVGBHVQUVMIQN-UHFFFAOYSA-N 300.362 2.105 0 40 DEAB COC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cc2C)C1 72283214 IETPGPIUQOOBEY-LBPRGKRZSA-N 324.808 2.472 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)c1cccc(-n2cncn2)c1 72285739 BFLQPYCNELSUHW-ZDUSSCGKSA-N 307.357 2.286 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1csc(-c2ccco2)n1 97197751 SVKNYOHHNSQTAE-JTQLQIEISA-N 314.370 2.344 0 40 DEAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2ncccc2c1 97107567 HJQPTIYDSXKEMK-UHFFFAOYSA-N 318.336 2.334 0 40 DEAB NC(=O)c1c(F)cccc1OCCc1ccc2c(c1)CCO2 97166080 GLOZDLPWCCKZMG-UHFFFAOYSA-N 301.317 2.481 0 40 DEAB Cc1ccc(OCCNC(=O)NC[C@@H](O)c2ccsc2)cc1 76018879 XTBKVQIPRUIUNR-OAHLLOKOSA-N 320.414 2.468 0 40 DEAB CCC[C@@](C)(CCCNC(=O)Nc1cn[nH]c1)C1OCCO1 72306242 RRSUDFSXVRHSNH-HNNXBMFYSA-N 310.398 2.491 0 40 DEAB Cc1nc(CN(C)[C@H]2CCN(CCc3cccs3)C2)no1 76047331 SPDUCIBGVPFHHA-ZDUSSCGKSA-N 306.435 2.188 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)N2CCC[C@@H]([C@H](C)O)C2)c1 95431371 KDKATPKCAIOYPU-JKSUJKDBSA-N 320.433 2.485 0 40 DEAB NC(=O)N1CCC(NCc2ccc(OC(F)F)c(F)c2)CC1 95437374 SITJFAJHZCMDQQ-UHFFFAOYSA-N 317.311 2.060 0 40 DEAB C[C@H](NC(=O)[C@H](C)c1cccc(F)c1)C(=O)N1CCSCC1 95401636 CQNBUIUDZHGMMR-NEPJUHHUSA-N 324.421 2.009 0 40 DEAB COCCOc1ccc(NC(=O)NC[C@H]2CCO[C@H](C)C2)cn1 95457618 DLTZHTDKUOCAPZ-OLZOCXBDSA-N 323.393 2.043 0 40 DEAB CC(C)N(C)C(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 95440878 JRCBSKAAZCOOIB-ZFWWWQNUSA-N 307.369 2.147 0 40 DEAB NS(=O)(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 78883914 IBQSZXBZPNZFOD-LBWKMTJJSA-N 314.410 2.077 0 40 DEAB O=C(Cc1ccc(F)c(F)c1)Nc1cncnc1-n1cccn1 95991390 HMKHOWNCEMCQPV-UHFFFAOYSA-N 315.283 2.122 0 40 DEAB Cc1cnc(CNc2cccc(S(=O)(=O)NC3CC3)c2C)o1 95966869 KREYZUCGLIRIPJ-UHFFFAOYSA-N 321.402 2.344 0 40 DEAB CC1CCC2(CC1)OC[C@H](CNC(=O)CCc1ccncc1)O2 95992261 KKXAFKQJPBKIRJ-HQVVEAJESA-N 318.417 2.452 0 40 DEAB Cc1ccc(CCC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)o1 95980374 JYSLXVKICGKVAH-OAHLLOKOSA-N 317.389 2.461 0 40 DEAB CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2F)co1 36352736 ANIMIUAEKXYXPR-UHFFFAOYSA-N 305.305 2.496 0 40 DEAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2[nH]ccc2c1 36360009 KFJNUTJKMJCSCJ-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB C[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)CC2(CCC2)O1 518774145 VLYBJRTVVJXIFE-ZDUSSCGKSA-N 312.373 2.051 0 40 DEAB COc1cccc(NC(=O)NCCc2cc(C)no2)c1OC 75161609 OVNSJAVZTAIPNC-UHFFFAOYSA-N 305.334 2.364 0 40 DEAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 72849869 XQPCIEQZZPTQHS-AWEZNQCLSA-N 317.433 2.353 0 40 DEAB c1ccc2c3c([nH]c2c1)CN(Cc1cc2n(n1)CCNC2)CC3 72164575 NMCKBVAHMIAWFL-UHFFFAOYSA-N 307.401 2.026 0 40 DEAB Cc1ccccc1CNC(=O)COc1cccc(-n2cncn2)c1 72921027 UYSPWXMLPXNQAZ-UHFFFAOYSA-N 322.368 2.271 0 40 DEAB CN1CCCC[C@]1(C)C(=O)N1CCC(c2cnccn2)CC1 72367314 VVRFQARFBJEXQZ-QGZVFWFLSA-N 302.422 2.057 0 40 DEAB CCCN1CCC[C@H]1C(=O)NCc1ccc(-n2cccn2)cc1 79333641 DPAUFECJLXPKHH-KRWDZBQOSA-N 312.417 2.363 0 40 DEAB O=c1c(Br)n[nH]c2cc(Br)ccc12 225743189 DIGHSVCPTJFAGL-UHFFFAOYSA-N 303.941 2.448 0 40 DEAB COCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226752765 QOLVRRPWPXSCMS-UHFFFAOYSA-N 313.279 2.267 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCC3)c(Cl)c2)C1 45958255 ZMCMTMLAKOBALP-LLVKDONJSA-N 322.792 2.466 0 40 DEAB O=c1[nH]c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3)cc2[nH]1 41091376 GGSDPOBGEPPPLW-UHFFFAOYSA-N 324.745 2.277 0 40 DEAB COc1ccc(-c2nnc([C@H]3CCN(C(=O)C4CC4)C3)o2)cc1 49170906 HXZRXUYWVYQTHN-ZDUSSCGKSA-N 313.357 2.471 0 40 DEAB biogenic,in-vitro O=C(NCCOC[C@H]1CCCO1)NCc1ccc(Cl)cc1 96406785 MEMZJKBEGHUYDG-CQSZACIVSA-N 312.797 2.335 0 40 DEAB COc1ccccc1C[C@@H]1CCCN1Cn1nc(C)ccc1=O 96403711 UUFAGZYKXQFYAP-INIZCTEOSA-N 313.401 2.225 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)Nc1ccc(Cn2cncn2)cc1 95477324 HQJGCIUFACYXBG-UHFFFAOYSA-N 324.388 2.238 0 40 DEAB COc1ccccc1NCC(=O)NC[C@]1(C)CCCC[C@H]1O 96450808 SPGUINDBCGHOJP-WBVHZDCISA-N 306.406 2.165 0 40 DEAB C[C@H](C(=O)NCc1ccc(C(=O)O)cc1)N1Cc2ccccc2C1 580206209 VOYJEOXHPXGZJJ-CYBMUJFWSA-N 324.380 2.405 0 40 DEAB CCc1nnc(N2CC[C@@H](c3nc(C4CC4)no3)C2)nc1CC 580583983 BIWYLCMGSKKAPO-LLVKDONJSA-N 314.393 2.251 0 40 DEAB Cc1cccc(N2CCC(NC(=O)N3CCSCC3)CC2)n1 96408942 UHOHPJMUIJCHNX-UHFFFAOYSA-N 320.462 2.117 0 40 DEAB C[C@@H](NC(=O)CS[C@H]1CCc2ccc(F)cc21)C(=O)N(C)C 95418080 SHODRMCUQXJQEB-YGRLFVJLSA-N 324.421 2.139 0 40 DEAB CCOc1ncnc2c1CCN(C(=O)c1ccoc1C)CC2 96255607 QUTSGEBLZGDDMC-UHFFFAOYSA-N 301.346 2.018 0 40 DEAB O=C(c1c(F)cccc1F)N1CCC2(CC1)OCCC[C@@H]2O 257219914 DIUVTXGXUSSWBA-ZDUSSCGKSA-N 311.328 2.111 0 40 DEAB Cc1nccc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 257239260 HOPOXNYPKDBMSE-AWEZNQCLSA-N 311.341 2.491 0 40 DEAB CC(=O)N(C)c1nc([C@H]2CCCN2C(C)=O)c2sccn12 257265332 LYGKDENMSWFZSN-LLVKDONJSA-N 306.391 2.062 0 40 DEAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2ccnc(O)n2)C1 257311612 UKHVCSDOEJNAFW-GFCCVEGCSA-N 301.321 2.341 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1 257328927 XHQQPMLBLNYWQJ-AWEZNQCLSA-N 313.405 2.332 0 40 DEAB CC(C)N1CCOC[C@]2(CC(=O)N(Cc3ccccc3)C2)C1 585103494 CXNJMAXORRAGNF-GOSISDBHSA-N 302.418 2.146 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@H](C)O1 14138298 XALCOQWQEWAIBY-IUCAKERBSA-N 307.774 2.277 0 40 DEAB CCOC(=O)CCNC(=O)c1cc(F)ccc1Br 44363823 IVMQUUXQOAJDIM-UHFFFAOYSA-N 318.142 2.271 0 40 DEAB COc1ccccc1[C@H](C)N(C)C(=O)NCCCn1cncn1 45647543 CVQFXKROPDFYNV-ZDUSSCGKSA-N 317.393 2.079 0 40 DEAB COC1CCN(C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CC1 51155388 INOXPDQRAGJGRU-OAHLLOKOSA-N 317.433 2.125 0 40 DEAB CN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C1CC1 68064126 QNCMIKMLTWGECH-CQSZACIVSA-N 318.392 2.228 0 40 DEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)s1 5293323 PEZSXOOJNAPBQB-UHFFFAOYSA-N 312.778 2.449 0 40 DEAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)NCC)ccc1C 12773771 TWGOOUPXUIJEIW-GFCCVEGCSA-N 312.435 2.212 0 40 DEAB CCOc1ccc(NCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 7468702 UUUACIGVNXGBSY-GJZGRUSLSA-N 300.358 2.406 0 40 DEAB C[C@@H]1C[C@H](NC(=O)CCCn2c(=O)oc3ccccc32)CCO1 539896004 SKZMVYOPFIEETB-CHWSQXEVSA-N 318.373 2.058 0 40 DEAB O=C(NC1CN(c2ccccn2)C1)c1ccc2ncsc2c1 1888888392 OPEUBDLBKDWOPY-UHFFFAOYSA-N 310.382 2.310 0 40 DEAB C[C@H]1CN(CCNCc2c[nH]nc2-c2cccs2)C[C@@H](C)O1 30663591 GSTGBWBFAGCQTH-BETUJISGSA-N 320.462 2.337 0 40 DEAB C[C@@H]1CN(c2cnc3ccccc3n2)CCN1Cc1cnn(C)c1 2298061405 DGHNGEJGSVPDGD-CQSZACIVSA-N 322.416 2.074 0 40 DEAB O=C(Cc1ccc(F)cc1)NCc1ccc2c(c1)OCCO2 40457488 GZLGIPQMJAJOSA-UHFFFAOYSA-N 301.317 2.456 0 40 DEAB CCc1nnsc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 40473400 SOLPOXHHOOJULW-CYBMUJFWSA-N 316.430 2.105 0 40 DEAB COc1ccccc1NC(=O)CS(=O)(=O)c1cccs1 11666445 JKYPAEMLCLYNKL-UHFFFAOYSA-N 311.384 2.169 0 40 DEAB CC[C@@H](C)NC(=S)NCCCn1cc(Br)cn1 2790110 KWXCSQFWQKVOOG-SECBINFHSA-N 319.272 2.298 0 40 DEAB COc1ccc(-n2cnnc2SCc2cc(C)on2)cn1 69703481 GBFBCZWPMHMTNC-UHFFFAOYSA-N 303.347 2.260 0 40 DEAB Cc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)cc1 3537756 GGKGKCKOZZVKIZ-UHFFFAOYSA-N 300.339 2.421 0 40 DEAB Cc1ccccc1[C@H](CC(=O)Nc1nccs1)NC(N)=O 32796376 DSERRTCIMFRVQB-NSHDSACASA-N 304.375 2.190 0 40 DEAB COC(=O)c1ccc(CN2C(=O)NC3(CCC(C)CC3)C2=O)o1 2646756 XNSZQQOJCNHJML-UHFFFAOYSA-N 320.345 2.067 0 40 DEAB O=C(NCc1cccnc1-n1ccnc1)c1ccnc(Cl)c1 32809364 HIZAKEPFWQTKCE-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB COC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3S2)CC1 32893572 KAKDMBGFDLRIBS-CQSZACIVSA-N 305.399 2.115 0 40 DEAB O=C(CCn1cnc2ccccc2c1=O)NCC1(C2CC2)CC1 89866522 YFERNWLHOVTMCH-UHFFFAOYSA-N 311.385 2.093 0 40 DEAB COC(=O)c1ccc(/C=C2\SC(=O)N(CN(C)C)C2=O)cc1 33679773 UUSQBABQLWNXMP-WQLSENKSSA-N 320.370 2.029 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccc[nH]c2=S)C[C@@H](C)O1 42041482 DHUYDPLDWZZMPB-TXEJJXNPSA-N 323.462 2.362 0 40 DEAB CS(=O)(=O)CCN1CCC[C@H](c2nc3ccccc3o2)C1 42132433 ACPYPNHWCRXXMV-LBPRGKRZSA-N 308.403 2.052 0 40 DEAB Cc1nc(C)c(S(=O)(=O)NC(=O)C2[C@H]3CCCC[C@H]23)s1 102688857 KYCSORFBINODET-UWVGGRQHSA-N 314.432 2.001 0 40 DEAB CC(C)c1cc(C(=O)NCCOc2ccc(Cl)cn2)nn1C 89893335 SPMVGFHBVKBRRO-UHFFFAOYSA-N 322.796 2.401 0 40 DEAB CCOCCNS(=O)(=O)c1ccc(C)cc1Br 37575582 XKBKKSKXWHRNAX-UHFFFAOYSA-N 322.224 2.072 0 40 DEAB O=C(Nc1cccc2cn[nH]c12)[C@@H]1CCCN(C(=O)C2CC2)C1 42468264 HKLMUJKHEGHBHB-CYBMUJFWSA-N 312.373 2.150 0 40 DEAB C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 47594216 ZZYKSZXRBMZIJY-GXTWGEPZSA-N 320.389 2.387 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)c1ccccn1)c1ccc(F)cc1 12525071 GRNOWWMRMJHZTE-HNNXBMFYSA-N 310.332 2.474 0 40 DEAB O=C(COc1ccccc1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100621775 LPOBNCVBSGLGFD-NUJGCVRESA-N 314.429 2.398 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 25331213 GPPGQNRAPXIVNZ-AWEZNQCLSA-N 305.403 2.312 0 40 DEAB COc1ccc(CCN2CCN([C@H]3CCCC[C@@H]3O)CC2)cc1 89888540 MKBIIAGOBMBNHS-OALUTQOASA-N 318.461 2.159 0 40 DEAB O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)CC1CCC1 57399458 RMZFZYUIRDJWNS-MRXNPFEDSA-N 321.442 2.250 0 40 DEAB C[C@]1(c2ccco2)NC(=O)N(Cc2noc3c2CCCC3)C1=O 108661407 YSHHXUUDMASMBV-MRXNPFEDSA-N 315.329 2.114 0 40 DEAB O=C(NCc1ccccn1)NC[C@H](c1ccco1)N1CCCC1 44889776 YRIPERNDCILWFO-OAHLLOKOSA-N 314.389 2.311 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)cc1Cl 58250264 GJTRNFLJMIBWHG-LLVKDONJSA-N 315.826 2.377 0 40 DEAB CCOc1ccc2c(c1)CN(CC(=O)NCc1ccco1)CC2 58226944 SQZOHMIEOVQUIG-UHFFFAOYSA-N 314.385 2.353 0 40 DEAB CN(CC1CCCC1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 58294133 SERGOBUMIUXRQJ-UHFFFAOYSA-N 302.374 2.156 0 40 DEAB C[C@H]1CCCCN1C(=O)NCc1ccnc(N2CCOCC2)c1 44968572 BLFSZEVPXRLGPM-AWEZNQCLSA-N 318.421 2.002 0 40 DEAB CN(C)S(=O)(=O)NCC(C)(c1ccccc1)c1ccccc1 27963909 ZYVYGPGUHAKTBC-UHFFFAOYSA-N 318.442 2.389 0 40 DEAB O=C1CN(S(=O)(=O)/C=C/c2ccccc2)c2ccccc2N1 3333350 SSFCXGGYOXFZAG-ZHACJKMWSA-N 314.366 2.446 0 40 DEAB COc1ccc(/C=C/C(=O)OCC(=O)NCC(C)C)cc1OC 3322084 MQELZDJGKTVHDS-SOFGYWHQSA-N 321.373 2.032 0 40 DEAB C[C@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C[C@@H](C)O1 58780420 VFJMYFCRAGXDNT-PHIMTYICSA-N 320.780 2.170 0 40 DEAB CC(C)Cc1nc(CN2CCN(c3ccc(O)cc3)CC2)no1 58919078 IROUONFKNAQMSI-UHFFFAOYSA-N 316.405 2.296 0 40 DEAB Cc1ccc(S(=O)(=O)N(CC(=O)O)C(C)C)c(Cl)c1 37994466 KXRIQIQVJCXLKL-UHFFFAOYSA-N 305.783 2.132 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)no1 76043988 JCTGTBVGMKOEFG-NSHDSACASA-N 302.334 2.475 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)COc1c(Cl)cccc1Cl 8557386 YFDYJFSWIOIECU-QMMMGPOBSA-N 319.188 2.013 0 40 DEAB Cc1noc(C)c1CN1CCC(CCN2CCOCC2)CC1 64344433 AFXBGJUUUCYWNF-UHFFFAOYSA-N 307.438 2.226 0 40 DEAB C[C@H](NCC(=O)N(C)Cc1cccs1)[C@H](C)n1cccn1 69920075 DHEYSHNNFWJUIW-STQMWFEESA-N 306.435 2.142 0 40 DEAB N=C1NC(=O)[C@@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 6223299 LZFCOGJLCWKGRO-MRVPVSSYSA-N 318.185 2.488 0 40 DEAB CN(C)C(=O)CCNC(=O)Nc1ccc(F)c(C(F)(F)F)c1 65429566 PPMSBWVCDWARHN-UHFFFAOYSA-N 321.274 2.444 0 40 DEAB CCCC[C@H](Sc1nncn1C)C(=O)Nc1cc(C)on1 14092857 BSXZUKLNQUTUDU-JTQLQIEISA-N 309.395 2.401 0 40 DEAB Cc1csc([C@@H]2CN(Cc3nc(C4CC4)no3)CCO2)n1 65465988 XSSZNAQFKYAERT-NSHDSACASA-N 306.391 2.285 0 40 DEAB O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F 4583673 RQUXSSVXNSJJBC-UHFFFAOYSA-N 322.286 2.401 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(OC)cc2)C1 5473463 CHDGEKIEYKXARA-AWEZNQCLSA-N 305.374 2.039 0 40 DEAB CCCCc1n[nH]c(SCC(=O)Nc2nnc(C)s2)n1 18322793 AYYKUMULYCRYBI-UHFFFAOYSA-N 312.424 2.038 0 40 DEAB CCCN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)NC(=O)N2 4854642 MIGCGHZKOSKWPD-ZDUSSCGKSA-N 305.765 2.200 0 40 DEAB NC(=O)C1(NC(=O)Cc2c(Cl)cccc2Cl)CCCC1 70886908 HMWNISOTJVSUNY-UHFFFAOYSA-N 315.200 2.450 0 40 DEAB Cn1cccc1C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 68141594 HIURVOBOEKFNSM-INIZCTEOSA-N 312.369 2.373 0 40 DEAB CCN(CC)C(=O)CCCC(=O)NCc1cccc(COC)c1 69350580 ZCMMICZUNLWFIS-UHFFFAOYSA-N 320.433 2.488 0 40 DEAB C[C@@H](NC(=O)NCC(C)(C)c1ccccc1F)c1nncn1C 69349646 URXOLPWUWBFQSE-LLVKDONJSA-N 319.384 2.292 0 40 DEAB COc1ccccc1C(C)(C)CNC(=O)c1ccn(C)c(=O)c1 69350795 FSFHLTZTFYHTJU-UHFFFAOYSA-N 314.385 2.102 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](n2cccn2)C1 69323914 NGTCDIAXHZSSAH-CYBMUJFWSA-N 313.357 2.132 0 40 DEAB CCCC(=O)NCC(=O)N1Cc2ccccc2N(C)C[C@@H]1CC 79070735 IVQFFGVPTWJODN-HNNXBMFYSA-N 317.433 2.160 0 40 DEAB COc1ccc(C)cc1[C@H](O)CN1CC(n2nc(C)cc2C)C1 71880734 LWMREBIPDGHXGQ-QGZVFWFLSA-N 315.417 2.407 0 40 DEAB CCc1ccccc1NC(=O)CNC(=O)c1ccc2[nH]ncc2c1 83827767 VCDQODMKGWBNSZ-UHFFFAOYSA-N 322.368 2.494 0 40 DEAB C[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)C1 96502588 HXJCUUCTFYIVMV-DZGCQCFKSA-N 316.405 2.019 0 40 DEAB Cc1nnc(SCCCc2ccc(Cl)cc2)n1CC(N)=O 72293310 YUDVQXAAEFOBKY-UHFFFAOYSA-N 324.837 2.450 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)no1 72299219 JSOXRFMVMOBSGA-LBPRGKRZSA-N 301.350 2.210 0 40 DEAB CC[C@@H](NC(=O)N1CC[C@H](OCC(C)C)C1)c1noc(C)n1 95413142 WPKWUNNUQQHRME-QWHCGFSZSA-N 310.398 2.286 0 40 DEAB CCCc1nn([C@H]2CCN(c3ccc(C)cc3)C2=O)c(=O)o1 95416448 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2.270 0 40 DEAB CCOC[C@H]1CN(C(=O)Cc2cccs2)Cc2cncn2C1 96208032 CBZHYTHHOHSRCA-ZDUSSCGKSA-N 319.430 2.182 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(c4ccncn4)C3)CC2=O)cc1 96238493 NPOMTPJRMCSTNC-SFHVURJKSA-N 308.385 2.418 0 40 DEAB C[C@H](O)CC(C)(C)CNS(=O)(=O)c1cccc2cnccc12 96492609 RCVDELIXPJDSHG-LBPRGKRZSA-N 322.430 2.310 0 40 DEAB CN1C[C@@H](C(=O)Nc2cc(-n3cccc3)ccc2F)CC1=O 96403479 KPTIZXJHLRFCIO-NSHDSACASA-N 301.321 2.033 0 40 DEAB CCO[C@@H](C)c1nccn1Cc1ccc(S(C)(=O)=O)cc1 252495215 ONSIPURBISCMRD-LBPRGKRZSA-N 308.403 2.432 0 40 DEAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(Nc2ncccn2)C1 253473355 UIQMXKLTULYQOC-UHFFFAOYSA-N 322.290 2.432 0 40 DEAB Cc1cccc(C(=O)N2CCC[C@]3(C)NC(=O)CCC[C@H]23)n1 257235396 GXQKXOUAGZKDPI-YOEHRIQHSA-N 301.390 2.053 0 40 DEAB O=C(c1cnccn1)N1CCO[C@H](Cc2cccc(Cl)c2)C1 257269943 MSBKEODUXDXTOG-CQSZACIVSA-N 317.776 2.214 0 40 DEAB Cc1ncccc1O[C@H]1CCN(Cc2nccs2)CC[C@@H]1O 257217546 CZLJCAIHBQDEPU-ZFWWWQNUSA-N 319.430 2.251 0 40 DEAB COC[C@]1(C(=O)O)CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 263097978 TXINIOSWCGPTGS-YATRRXNKSA-N 321.348 2.179 0 40 DEAB CC(C)CN1CCC(C(=O)NCCN2CCCC[C@H]2C)CC1 58458906 AYOOPKXBAWXZEO-MRXNPFEDSA-N 309.498 2.345 0 40 DEAB O=C(CN[C@H](c1ccccc1)C(F)(F)F)N1CCSCC1 71916695 YCRWGRHSLLXYCD-CYBMUJFWSA-N 318.364 2.455 0 40 DEAB COc1ccc(Cl)cc1S(=O)(=O)N1CC(C(F)F)C1 585391949 WCPLALLUJJJXTD-UHFFFAOYSA-N 311.737 2.234 0 40 DEAB COCCCNC1=NN=C(c2ccc(NC(C)=O)cc2)CS1 5261887 XSYSBECRPHNDET-UHFFFAOYSA-N 320.418 2.078 0 40 DEAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1 5369822 GURAPXCBWUNYJF-ZJUUUORDSA-N 320.798 2.133 0 40 DEAB COc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1 12096089 MOJUEZWWAWRFFY-UHFFFAOYSA-N 310.313 2.028 0 40 DEAB O=C(c1ccncc1)N1[C@H]2CC[C@@H]1CC(O)(c1ccccn1)C2 12114467 MWLNDKARXPGWLC-MVVMVCHASA-N 309.369 2.131 0 40 DEAB COc1cc(-c2nc(C)c(C(C)=O)n2O)cc(OC)c1OC 13566731 DKCQFXIAHRHTRT-UHFFFAOYSA-N 306.318 2.324 0 40 DEAB O=c1cc(C(F)(F)F)nc(N2CCN(c3ccccc3)CC2)[nH]1 13611358 AKQWPWVXRZZPMN-UHFFFAOYSA-N 324.306 2.115 0 40 DEAB 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302.374 2.168 0 40 DEAB COc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)C)c1 1379797 QCKUBDWHSSEXIW-AWEZNQCLSA-N 305.378 2.216 0 40 DEAB CCC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)CC)ccc1O 32795136 YCCUPBSXESSJEU-JTQLQIEISA-N 314.407 2.496 0 40 DEAB Cc1cc(C)n([C@@H](C)CNC(=O)c2ccc3c(c2)OCO3)n1 4988338 JGTRWCZCMFAVFP-LBPRGKRZSA-N 301.346 2.220 0 40 DEAB O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CC1 6415172 SRYLXKAJMRNQEW-UHFFFAOYSA-N 320.345 2.082 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCC2(c3ccccc3)CC2)CC1=O 32816463 SJEIDTXSCGRAEG-AWEZNQCLSA-N 300.402 2.091 0 40 DEAB Cc1cnc(NC(=O)CCNC(=O)Cc2ccccc2)s1 32878941 DVYBPKSYSLWLJB-UHFFFAOYSA-N 303.387 2.139 0 40 DEAB Cc1noc(C)c1CN(C)S(=O)(=O)N(C)C1CCCCC1 46813455 KUXQBTSCNGRKOA-UHFFFAOYSA-N 315.439 2.233 0 40 DEAB CNc1snc(C)c1C(=O)OC[C@H]1COc2ccccc2O1 22133040 PFUXYPZMGFQJJH-SNVBAGLBSA-N 320.370 2.490 0 40 DEAB CCn1cc(NC(=O)CCc2ccc3c(c2)OCO3)ccc1=O 47181303 WJVQKEAOYQWDHH-UHFFFAOYSA-N 314.341 2.168 0 40 DEAB CC(C)[C@H]1C(=O)NCCN1C(=O)c1cnc(C(C)(C)C)s1 103950143 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CEYHJOMZRQINKU-TZMCWYRMSA-N 321.808 2.247 0 40 DEAB COC(=O)c1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 507022 YWRVTWXEGSIKGK-UHFFFAOYSA-N 316.338 2.218 0 40 DEAB CCOc1ccccc1-c1noc(CNCCn2cccn2)n1 70039724 MXWVNPCUPCVAKI-UHFFFAOYSA-N 313.361 2.122 0 40 DEAB C[C@@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCO1 54150305 YFEYKSWREUSPNN-SECBINFHSA-N 316.170 2.378 0 40 DEAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)Cn2cccn2)cc1 24805797 BFXYYVLXEWDIOP-ZDUSSCGKSA-N 315.373 2.060 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cnn(C)c2C)c1C 24997955 QMUGJYGFLGXPSD-SECBINFHSA-N 302.378 2.367 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCCCC2)nc1)C(C)C 25064485 GWGOYLLPGOOOMS-INIZCTEOSA-N 318.421 2.171 0 40 DEAB Cc1noc2ncc(C(=O)Nc3cccnc3-n3cccn3)cc12 25011980 KFZWNVHTZMCCNP-UHFFFAOYSA-N 320.312 2.364 0 40 DEAB COc1ccc2c(c1)CCCN(C(=O)CCCC(=O)N(C)C)C2 76092759 XSVOQQJYNAFAEP-UHFFFAOYSA-N 318.417 2.229 0 40 DEAB CCN(CC)S(=O)(=O)N[C@H]1CCCc2ccc(F)cc21 93049114 RITXJXXBUKMFJF-AWEZNQCLSA-N 300.399 2.379 0 40 DEAB Cc1noc([C@@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 27034936 HGCNCVFGZULNAO-DTWKUNHWSA-N 302.334 2.121 0 40 DEAB COCCOCC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 44619161 RNGZLSJZXWCKLT-JTQLQIEISA-N 303.305 2.128 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CSc1nc2ccccc2[nH]1 12660679 HXBOFLFQGSJMRY-UHFFFAOYSA-N 306.391 2.279 0 40 DEAB C[C@@H](NC(=O)NCc1nncn1-c1ccccc1)c1ccco1 48115663 UAARDWIXUWVVLE-GFCCVEGCSA-N 311.345 2.421 0 40 DEAB CN(Cc1ccsc1)C(=O)Nc1ccc(-n2cncn2)nc1 48133028 WQRTUPVAPMDRPO-UHFFFAOYSA-N 314.374 2.388 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2CN2CCCC2)c1 58356589 UVTFNELEJPNHRI-OAHLLOKOSA-N 318.417 2.404 0 40 DEAB CNC(=O)NC(=O)CN(C)c1ccccc1Oc1ccccc1 58300344 XTNWUANXFBWFLJ-UHFFFAOYSA-N 313.357 2.371 0 40 DEAB COc1ccc(CCC(=O)N[C@H](C)c2nc(C)no2)cc1F 58370661 KXWRJVIPWKGWPG-SECBINFHSA-N 307.325 2.336 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCO3)cn2)n1 27907359 AQUBIYKLLYTVNS-ZFWWWQNUSA-N 314.389 2.181 0 40 DEAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 36393107 JPXSNZZNZLMIHZ-WCQYABFASA-N 320.820 2.398 0 40 DEAB Cc1ccc(C(=O)Nc2nc3ccccc3n3nnnc23)cc1 2443810 XFPTYZBEKYHIND-UHFFFAOYSA-N 304.313 2.233 0 40 DEAB COc1cccc(N2CCN([C@H](C)c3nnc(C)o3)CC2)c1 48275484 IOPXHZZAVTVDEG-GFCCVEGCSA-N 302.378 2.270 0 40 DEAB COC(=O)C1(NC(=O)Cc2ccc3c(c2)CCO3)CCCCC1 48252490 WKJYKRLOUZTOIS-UHFFFAOYSA-N 317.385 2.156 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N(C)Cc2ccco2)nc1 69771035 GXRRBDIZAWRGGU-UHFFFAOYSA-N 316.361 2.153 0 40 DEAB CCC(=O)N1CSC[C@@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 69420957 YGYRGKUZNAZODB-MMFDQKDXSA-N 322.474 2.335 0 40 DEAB CC(C)(C(=O)NCCCC(N)=O)c1cccc(C(F)(F)F)c1 69462391 TXKTVPZQERTHQB-UHFFFAOYSA-N 316.323 2.365 0 40 DEAB Cn1cc(CNCC2(O)CCCCC2)c(-c2ccncc2)n1 60366859 PAVSUFUIZNLZGV-UHFFFAOYSA-N 300.406 2.267 0 40 DEAB CC1(NC(=O)NCc2cccc(C(N)=O)c2)Cc2ccccc2C1 92168914 BQSPIDDREKNRAS-UHFFFAOYSA-N 323.396 2.142 0 40 DEAB CC(=O)c1ccc(OCC(=O)NC(=O)NC(C)(C)C)cc1F 69973089 BDSWATPVOIUTRK-UHFFFAOYSA-N 310.325 2.031 0 40 DEAB C[C@H](NCCN1C(=O)NC(C)(C)C1=O)c1ccc(Cl)cc1 65500709 TWHOCUAGZNIQOQ-JTQLQIEISA-N 309.797 2.321 0 40 DEAB COc1ccc(CNC(=O)CCC(=O)NCCC(C)C)cc1 4590727 XXIXHTSOZQUTII-UHFFFAOYSA-N 306.406 2.254 0 40 DEAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F 65606200 FYRHTBFPJVIHNX-LBPRGKRZSA-N 309.362 2.402 0 40 DEAB C[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2ccccc2[nH]1 8718276 ZCJINVWFTGWHPW-VIFPVBQESA-N 314.370 2.381 0 40 DEAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ncccn2)CC1 7955727 POVSQVCVHRYZRV-UHFFFAOYSA-N 320.755 2.232 0 40 DEAB O=C(OC[C@@H]1CC(=O)N(C2CC2)C1)c1ccc2ccccc2n1 79065074 ARQRMTGVZVWJKH-GFCCVEGCSA-N 310.353 2.403 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)C[C@H]2CCS(=O)(=O)C2)c(C)c1 71888935 SXXSYNYFSUNLAS-LSDHHAIUSA-N 323.458 2.175 0 40 DEAB COc1ccc(CNC[C@H]2CCCN2c2cccnn2)cc1F 71859833 KCCGFHCLDCKNCG-CQSZACIVSA-N 316.380 2.383 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2CC[S@@](=O)c2ccccc2)c1 71875926 MYSXUYSOOXTAIO-AOMKIAJQSA-N 317.458 2.464 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCOC2)c(OC)c1 71832971 IBATXXXCULEJJQ-IUODEOHRSA-N 305.374 2.404 0 40 DEAB CN(Cc1nnc(C2CCC2)o1)[C@H](C(N)=O)c1cccc(F)c1 71910657 OCTKCLGLMOFQTD-AWEZNQCLSA-N 318.352 2.135 0 40 DEAB CC1([C@H]2CCCN(C(=O)NCc3cccs3)C2)OCCO1 97085354 AXCZGEXUTKWIET-LBPRGKRZSA-N 310.419 2.433 0 40 DEAB CCOC(=O)N1CCC(N[C@@H](C)[C@@H](O)c2ccc(F)cc2)CC1 97036845 LIYNXKGJRAPLJU-BLLLJJGKSA-N 324.396 2.458 0 40 DEAB Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)S(C)(=O)=O)o1 72291595 ABFXWKLFOFKZNU-CHWSQXEVSA-N 313.419 2.465 0 40 DEAB COc1cccc(CN(C)C(=O)C[C@@](C)(O)C(F)(F)F)c1 72235914 ZFUBTPBOJYUPHO-CYBMUJFWSA-N 305.296 2.357 0 40 DEAB O=c1[nH]c(SC[C@@H]2OCCc3ccccc32)nc2[nH]ncc12 72286192 MFFCRCYSTUCSDH-LBPRGKRZSA-N 314.370 2.052 0 40 DEAB Cc1cscc1C(=O)N(C)[C@@H]1CCC[C@@H]1S(C)(=O)=O 84271459 DVZFNXPXMVFICB-NEPJUHHUSA-N 301.433 2.094 0 40 DEAB Cn1cccc1[C@H]1COCCN1C(=O)c1cccc2cn[nH]c12 97379521 DRWDMWZOEGHGAJ-OAHLLOKOSA-N 310.357 2.115 0 40 DEAB CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC(=O)N(C)C1 84718721 XDZZNKHWGDWVBZ-AAEUAGOBSA-N 324.808 2.234 0 40 DEAB Cc1ccc(NC(=O)C(=O)Nc2cnn(-c3ccncc3)c2)cc1 95469707 ZHDQJBWZYRLVHJ-UHFFFAOYSA-N 321.340 2.153 0 40 DEAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H](O)Cc1ccccc1 95449427 XVUUFQKXGRRGIH-LRDDRELGSA-N 315.417 2.240 0 40 DEAB CN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@H](O)c2ccccc2)C1 74102255 MNNXBBPVHRCSED-RBUKOAKNSA-N 324.424 2.453 0 40 DEAB CC(C)CCO[C@@H](C)C(=O)N[C@H](C)c1nnc2ccccn12 95955791 RXXCJYSXWIXCNH-OLZOCXBDSA-N 304.394 2.358 0 40 DEAB COC1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 75123252 FFGKBEFFDMDCRR-UHFFFAOYSA-N 319.283 2.036 0 40 DEAB Cc1ccccc1CS(=O)(=O)N[C@@H](CO)c1ccccc1 89690413 ASBPPGBFDKPMFT-INIZCTEOSA-N 305.399 2.148 0 40 DEAB COc1ccc2[nH]c(=O)c([C@H]3CC(O)=Nc4c3cnn4C)cc2c1 61718428 OIJYYQCESFTVQE-LLVKDONJSA-N 324.340 2.394 0 40 DEAB CCN(C)S(=O)(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 72709789 DJMIZAZVHHPLDU-JTQLQIEISA-N 306.378 2.072 0 40 DEAB CCCNC(=O)C[S@](=O)Cc1coc(-c2cccc(F)c2)n1 79324661 JXIYDFNQJLYMNT-QFIPXVFZSA-N 324.377 2.256 0 40 DEAB Cc1cc(C(=O)Nc2cc(C)nn2C)nc(N2CCCCC2)n1 72239792 MEKDHOPTVBILNG-UHFFFAOYSA-N 314.393 2.070 0 40 DEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2)N1 34792228 VOMJKYKNVFYOMS-HOTGVXAUSA-N 307.353 2.340 0 40 DEAB biogenic Cn1cc(NC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 76061683 TZAAXMMMFKAOEB-UHFFFAOYSA-N 319.796 2.428 0 40 DEAB Cc1nccn1-c1cncc([C@@H]2CCCN(c3ncccn3)C2)n1 72355576 HTPRNAVAISQDAK-CQSZACIVSA-N 321.388 2.145 0 40 DEAB Nc1ccc(Sc2nc(C(F)(F)F)n[nH]2)c(C(=O)O)c1 78406710 KITNZOWIXQMVGG-UHFFFAOYSA-N 304.253 2.255 0 40 DEAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H](C1CCCC1)C(F)(F)F 128043472 VLJIKDZOXOLJSN-MVWJERBFSA-N 306.328 2.344 0 40 DEAB CCOC(=O)c1nc(-c2cc(Br)ccc2O)n[nH]1 85385825 YUJMRGCYCMSMIU-UHFFFAOYSA-N 312.123 2.117 0 40 DEAB O=C(Cn1cc(COc2cccc(F)c2)nn1)NC1CCCC1 227169767 KUFMWOMQBJWMDG-UHFFFAOYSA-N 318.352 2.055 0 40 DEAB COC(=O)CCNC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 49952128 YYNGTSMPVISRFY-SOFGYWHQSA-N 321.373 2.175 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2 85876904 HEURQCDPYGHEMK-VIFPVBQESA-N 305.717 2.483 0 40 DEAB biogenic C[C@@H]1CN(C(=O)C[C@H](CC(=O)O)c2cccs2)C[C@@H](C)O1 223125262 LPIKQIJUIMAKEN-IJLUTSLNSA-N 311.403 2.332 0 40 DEAB O=C([C@H]1CCC(=O)N1Cc1c[nH]c2ccccc12)N1CCCC1 223398854 YOCNXEAVASAZKE-MRXNPFEDSA-N 311.385 2.281 0 40 DEAB CNC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1OC 225480818 HIVNDAXPYPGOFY-UHFFFAOYSA-N 301.346 2.389 0 40 DEAB CCO[C@H]1C[C@](O)(CNC(=O)C2CCC(F)(F)CC2)C1(C)C 191772496 NVRDZJRCXIGQJH-WFASDCNBSA-N 319.392 2.494 0 40 DEAB CSc1nsc(NC(=O)Cn2ncc3ccccc32)n1 84629532 ZFRHAPQBULUXDE-UHFFFAOYSA-N 305.388 2.248 0 40 DEAB Cc1ccc(CN2CC[C@H]3OCC[C@@H](C(=O)NC4CC4)[C@@H]3C2)o1 96058287 FSFHDOBLIDUMSH-IXDOHACOSA-N 318.417 2.094 0 40 DEAB C[C@H](CSCC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 96496197 IWIJOCLMZXORMF-UKRRQHHQSA-N 320.458 2.308 0 40 DEAB CCN(CC)C(=O)c1nnn(Cc2ccccc2Cl)c1OC 96183553 ZOPVEGBUTYLDKU-UHFFFAOYSA-N 322.796 2.470 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)NC[C@H]2c1ccco1 97758986 AQKIUJPTWUBBJK-ZBEGNZNMSA-N 306.362 2.120 0 40 DEAB O=C(c1ccncc1)N1CCC2(CC1)C(=O)Nc1ccccc12 96052481 QZQRGFKIFFXRMA-UHFFFAOYSA-N 307.353 2.208 0 40 DEAB CCC1(CC)[C@@H](OC)[C@@H](C)[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1 92769630 DHLWLMDFOXSILW-XNISGKROSA-N 319.449 2.401 0 40 DEAB CC1CCN(C[C@H](O)COc2cccc3c2CCC3=O)CC1 96484788 VSKPEOZZIGCRGQ-AWEZNQCLSA-N 303.402 2.287 0 40 DEAB C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@@H](CO)c1ccccc1 97238517 QNCDNLMZDLPLEN-HYVNUMGLSA-N 304.434 2.347 0 40 DEAB CSC[C@H](C)NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 96455086 PYLNTWPHZDFTSV-VHSXEESVSA-N 313.389 2.016 0 40 DEAB CC(C)C[C@H](NC1CCSCC1)c1nc(-c2nc[nH]n2)no1 96493851 PUVJKUIETAUYKA-NSHDSACASA-N 322.438 2.427 0 40 DEAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)C3CCSCC3)C2)C1 96107465 QUJICGAQINGLNG-HOCLYGCPSA-N 313.463 2.316 0 40 DEAB O=C(c1ccncc1)N1CC2(C[C@H](OCC3CC3)CS2)C1 247884106 WMDOFURERIJYMR-AWEZNQCLSA-N 304.415 2.208 0 40 DEAB c1cc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)co1 247984458 YQRWNQWHZYHVKS-QGZVFWFLSA-N 321.417 2.456 0 40 DEAB Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3ccn[nH]3)C2)n1 257311869 ULIWNHNWVWCYJJ-AWEZNQCLSA-N 301.394 2.019 0 40 DEAB COCCN1CCC[C@H](c2cncc(-c3nc(C)c[nH]3)n2)C1 257231331 GGFKBNFNWJAVAG-ZDUSSCGKSA-N 301.394 2.001 0 40 DEAB O=C(O)c1ccc(O[C@@H]2CNC[C@H]2OCc2ccccc2)cc1 257223669 DYKBCOVMUDPDER-IAGOWNOFSA-N 313.353 2.321 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3c(C(C)C)noc3C)CCO2)n1 257344032 ZVMDFJHPNNDQCH-LBPRGKRZSA-N 318.377 2.352 0 40 DEAB COCCC(=O)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 257273636 NHMYGYZCSYRZHO-QGZVFWFLSA-N 317.433 2.377 0 40 DEAB Cc1ncc2cncc(C3CCN(C(=O)c4ccncc4)CC3)n12 257329869 XLVJDEMRONNBQE-UHFFFAOYSA-N 321.384 2.453 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@@]2(C)c2nc(C)cc(C)n2)cn1 257333940 YDTSPGKGUJHBEE-KRWDZBQOSA-N 311.389 2.343 0 40 DEAB CC(C)C(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575403358 JMGXURLRHSSZKT-AWEZNQCLSA-N 306.431 2.341 0 40 DEAB CN(C)C1(CNS(=O)(=O)c2ccccc2Cl)CCCC1 41630800 ODHVYOSAZLIURH-UHFFFAOYSA-N 316.854 2.493 0 40 DEAB Cc1ncc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)o1 585141213 RGKULZPRBIGZMN-UHFFFAOYSA-N 305.422 2.454 0 40 DEAB c1cncc(O[C@@H]2CSC3(C2)CN(C2CCOCC2)C3)c1 585104376 HTBOOTQVRFHHPR-HNNXBMFYSA-N 306.431 2.199 0 40 DEAB COc1ccc2c(c1)N(S(=O)(=O)Cc1cc(C)no1)CCC2 585094154 KAILYUHLHXQARI-UHFFFAOYSA-N 322.386 2.274 0 40 DEAB Cc1ccc2cccc(C(=O)N3CC[C@H]([C@@H](F)C(=O)O)C3)c2n1 1548600678 QWQMKVWENIMJSN-GXTWGEPZSA-N 316.332 2.428 0 40 DEAB Cc1cc(C)c(NC(=O)CNc2cc(C)nc3ncnn23)c(C)c1 69573161 VYAXXNWLVMYRDQ-UHFFFAOYSA-N 324.388 2.409 0 40 DEAB CN1[C@H]2CCC[C@@H]1C[C@H](NC(=O)c1c3ccccc3nn1C)C2 100012420 INMQDEMSQWWCSB-BTTYYORXSA-N 312.417 2.318 0 40 DEAB in-vitro Cc1nc2cc(F)cc(C(=O)N3CCN(C)C[C@H]3C)c2nc1C 89556208 QUTYDSJYROCTMT-SNVBAGLBSA-N 316.380 2.162 0 40 DEAB CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)O)s1 95442418 KTBDJYXXEXGURE-PWSUYJOCSA-N 303.449 2.235 0 40 DEAB O=C(c1ccco1)N1CCC[C@@H]1Cn1c(=O)oc2ccccc21 12336941 CASSTZNDOGOJAI-GFCCVEGCSA-N 312.325 2.492 0 40 DEAB C[C@@H]1NC(=S)N(c2ccc3c(c2)nc2n3CCCCC2)C1=O 12539031 JUOSULPNHREMCD-JTQLQIEISA-N 314.414 2.372 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 14246564 FQRPDPMLHAAPGB-ZDUSSCGKSA-N 319.364 2.374 0 40 DEAB CC(C)n1c([C@H](C)N[C@H]2CCN(C)C2=O)nc2ccccc21 162368429 SRIAIURXZLIFFG-JSGCOSHPSA-N 300.406 2.499 0 40 DEAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)Nc1ccc(OCCO)cc1 156403957 LEOPPIGRYAXBMT-MJBXVCDLSA-N 306.406 2.258 0 40 DEAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)Nc1ccon1 154303606 BVUQLLNCZBBUHE-XPTSAGLGSA-N 317.320 2.192 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cnn(C)c2)C1 643913759 FYPAVHWDVWTPGB-SFHVURJKSA-N 315.417 2.398 0 40 DEAB O=S(=O)(N[C@@H]1CCCN(C/C=C/c2ccccc2)C1)C1CC1 1889138785 WYMRHYDLNPRKEX-KZJSRBBCSA-N 320.458 2.246 0 40 DEAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)[C@H]1CCOC1 238942666 WDCLWQDHWGPKDX-NHYWBVRUSA-N 323.439 2.198 0 40 DEAB COc1ccc(NC(=O)N2CC[C@@H](O)C2)c(Br)c1 88379328 LBRSVULWYHHPRT-MRVPVSSYSA-N 315.167 2.056 0 40 DEAB Cc1ccn2cc(CNS(=O)(=O)c3ccccc3)nc2c1 4248416 VNWSZYYQGHAUFK-UHFFFAOYSA-N 301.371 2.121 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)CCc1ccccc1)c1ccco1 23107773 QRGOLCXKADBHJJ-HNNXBMFYSA-N 322.430 2.044 0 40 DEAB CC(C)(C)c1ccc(N2CC[C@@H](COc3cnccn3)C2)nn1 2298182783 DFTZVZQRJMOSRE-CYBMUJFWSA-N 313.405 2.469 0 40 DEAB CC[C@H]1CN(C(=O)c2nn(-c3ccccc3)cc2OC)CCO1 30855014 ZMTKPWJLWURYPO-AWEZNQCLSA-N 315.373 2.132 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1c(C)noc1C)C[C@H]2O 40474031 SBDMVGNBGLNZKC-CQSZACIVSA-N 318.373 2.358 0 40 DEAB CNC(=O)COc1cccc(NC(=O)CCc2cccs2)c1 31521826 RDYUBOTVPPWHHM-UHFFFAOYSA-N 318.398 2.444 0 40 DEAB Cn1cnnc1S(=O)(=O)Cc1ccc(Cl)cc1Cl 40540009 SEJAESMIAGIYAW-UHFFFAOYSA-N 306.174 2.096 0 40 DEAB C[C@@H]1c2ccsc2CCN1CCCN1C(=O)NC(C)(C)C1=O 40515873 BVHNPOKLMAYGQW-LLVKDONJSA-N 321.446 2.388 0 40 DEAB O=Cc1nc(Br)c(-c2ccc3c(c2)OCCO3)[nH]1 1857794591 CDFSZOORGFIWRB-UHFFFAOYSA-N 309.119 2.423 0 40 DEAB O=C(COC(=O)[C@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 131974 AQFVAVKJJMDXDF-LLVKDONJSA-N 317.263 2.366 0 40 DEAB Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1 251006 WVPNBOUXMRHSIM-UHFFFAOYSA-N 309.325 2.015 0 40 DEAB CCOc1ccccc1CNCC1CCN(C[C@H](C)O)CC1 69347314 RFBHENJRFQYOHD-HNNXBMFYSA-N 306.450 2.268 0 40 DEAB Cc1ccc(-n2cc(C(=S)N3C[C@H](C)O[C@@H](C)C3)nn2)cc1 1417901 HAECBQVCHOQTSG-STQMWFEESA-N 316.430 2.360 0 40 DEAB COc1cc(CNC(C)(C)CO)cc(Br)c1OC 6883112 ONCALYXVKQNUHZ-UHFFFAOYSA-N 318.211 2.327 0 40 DEAB CCN1C(=O)N/C(=C/c2ccc(Br)s2)C1=O 6951804 APDROLZXHFCARF-FNORWQNLSA-N 301.165 2.423 0 40 DEAB CC(=O)N1CCO[C@H]2CCN(Cc3c(C)cccc3C)C[C@@H]21 108526929 CYTYGNUKFDYPQU-ROUUACIJSA-N 302.418 2.125 0 40 DEAB COc1ccc(CNC[C@H](O)COCc2cccs2)cc1 2629697 OBYHDHLWLMIRCE-AWEZNQCLSA-N 307.415 2.424 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1cc2c(s1)CCCCC2 32873620 YWEALLIUIGQLIH-UHFFFAOYSA-N 316.430 2.485 0 40 DEAB Cc1nn2c(=O)cc(CN(C3CC3)[C@@H](C)C3CC3)nc2s1 52607047 CLYYQDNWUHNDPD-VIFPVBQESA-N 304.419 2.222 0 40 DEAB O=C(NC[C@@H](O)c1ccccc1)c1nc(-c2cccs2)no1 2733795 QHRQVHTWLUVNFD-LLVKDONJSA-N 315.354 2.262 0 40 DEAB COC(=O)[C@@H]1C[C@@H](NC(=O)c2cccc(F)n2)c2ccccc21 96010936 XPFZGNKBVLJKRO-TZMCWYRMSA-N 314.316 2.352 0 40 DEAB O=C(C[C@H]1C=CCC1)NCCS(=O)(=O)Cc1ccccc1 41655892 WCDJWNKMNHARJY-AWEZNQCLSA-N 307.415 2.074 0 40 DEAB CCCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)O)c1C 12398341 FYRPAVVJEUNYKU-UHFFFAOYSA-N 313.304 2.329 0 40 DEAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(C)c2)CC1 57406175 UCCQYMFPERTVFC-CQSZACIVSA-N 319.405 2.096 0 40 DEAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)c1ccco1 20152405 AYCZMWZFKQETPV-UHFFFAOYSA-N 304.327 2.413 0 40 DEAB CCOC(=O)c1c(NC(=O)C2CCC2)sc(C(=O)NC)c1C 47339044 UQLXQZGCGHBBFU-UHFFFAOYSA-N 324.402 2.331 0 40 DEAB COc1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)cc1OC 47491445 XLPZKJZSRNOVOQ-SNVBAGLBSA-N 303.362 2.237 0 40 DEAB Cc1cc(S(=O)(=O)Nc2ccccc2C(N)=O)c(C)s1 24070090 DTYYVGWYIIRDPC-UHFFFAOYSA-N 310.400 2.265 0 40 DEAB c1ccc(CN2CC[C@@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 107226383 RDRFNLKMUOMENY-SJLPKXTDSA-N 310.401 2.322 0 40 DEAB NC(=O)[C@H](NCc1cccc(Cn2cccn2)c1)c1ccccc1 56207937 QVDWQDUGORHECT-GOSISDBHSA-N 320.396 2.248 0 40 DEAB CCc1nc2cc(N[C@H](C)C(=O)N3CCOCC3)ccc2o1 56201093 CJEYIUORVUKXAT-LLVKDONJSA-N 303.362 2.049 0 40 DEAB CNC(=O)NC(=O)CN1CCCC[C@H]1c1cc2ccccc2[nH]1 108385750 IBGAOECESVQPLE-HNNXBMFYSA-N 314.389 2.151 0 40 DEAB C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(F)cc1F 26881393 MQZLRCPCCLEDSA-VIFPVBQESA-N 301.314 2.467 0 40 DEAB Cn1ncc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21 17180173 SPZIBJGEBQROSK-UHFFFAOYSA-N 308.263 2.197 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(N2CCOC2=O)c1 27056719 XHQUJVZEXYVIQX-UHFFFAOYSA-N 320.345 2.473 0 40 DEAB O=C(Cc1cccs1)N1CCCN(C(=O)c2ccoc2)CC1 56228285 OVDWSFIXLOPIEL-UHFFFAOYSA-N 318.398 2.258 0 40 DEAB CCCn1c(=O)n(CC(=O)N2CCC(C)CC2)c2ccccc21 58017805 GKJDQZSTTNCJTR-UHFFFAOYSA-N 315.417 2.472 0 40 DEAB Cc1nc(CCNC(=O)C[C@@H]2C(=O)Nc3ccccc32)cs1 58113009 DZZKLUFFYUAYNK-ZDUSSCGKSA-N 315.398 2.236 0 40 DEAB C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1nnc2ccccn12 58213131 XSQUWIFBOVAEPV-LBPRGKRZSA-N 320.352 2.383 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H](C)C(=O)Nc2cc(C)on2)c(C)c1 44948047 GZVPSFNJRURHHQ-GFCCVEGCSA-N 322.386 2.401 0 40 DEAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)[C@@H]1CCCO1 27850312 FOGJFDIOBBWFLL-CABZTGNLSA-N 306.387 2.028 0 40 DEAB CCc1nc(CC(=O)N2CCC(n3ccnc3)CC2)cs1 58379000 HRNQBDSEPNMRGD-UHFFFAOYSA-N 304.419 2.308 0 40 DEAB CC[C@H](O)CN(CC(=O)Nc1cc(C)on1)c1ccccc1 58341403 NPHFVCGVZAXGER-AWEZNQCLSA-N 303.362 2.199 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC[C@@H]1CNc2ccnn2C1 58357822 ATYXUILTVHSJCF-NWDGAFQWSA-N 304.369 2.423 0 40 DEAB CC[C@@H](O)CN(CC(=O)Nc1cc(C)no1)c1ccccc1 58331843 XFJCCOKVBULIRJ-CQSZACIVSA-N 303.362 2.199 0 40 DEAB Cc1ccc(-c2nnc(CN(C)C(=O)[C@@H]3CCCO3)o2)cc1 408713926 CSPVWYROSACNTO-ZDUSSCGKSA-N 301.346 2.182 0 40 DEAB CCC[C@@](C)(NC(=O)CCc1ccc(OC)cc1)C(=O)OC 45095124 SHMJRNKZTGOVND-QGZVFWFLSA-N 307.390 2.476 0 40 DEAB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccc2c(c1)OCCO2 58405223 QQSUFEJPICUNOF-CHWSQXEVSA-N 314.389 2.047 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccccc2)c(OC)c1 3398302 NKWUXCYABJLXSE-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB COc1cc(CNC(=O)c2ccc(Cn3cccn3)cc2)ccn1 48276662 WZHMJWRPRAJYBZ-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB CCN1CCN(Cn2nc(-c3cccs3)[nH]c2=S)CC1 48310555 JKZLBMOQOFNFSM-UHFFFAOYSA-N 309.464 2.264 0 40 DEAB CON(C)C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 38580666 YGJZELRSUMZXKK-CQSZACIVSA-N 306.362 2.055 0 40 DEAB COC(=O)N1CCCN(C(=O)Nc2ccc(F)cc2C)CC1 69622106 RZMWOAVRKJADSO-UHFFFAOYSA-N 309.341 2.440 0 40 DEAB CC(C)c1cc(NC(=O)c2ccc(=O)n(-c3ccccc3)n2)[nH]n1 63110449 FPLQISKIZYEJLD-UHFFFAOYSA-N 323.356 2.331 0 40 DEAB CCCNC(=O)CNC(=O)Nc1cc(C)cc2cccnc12 92147909 UZEKHNOUSXRQED-UHFFFAOYSA-N 300.362 2.191 0 40 DEAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C[C@@H](C)O)CO2 13625433 YUXHZOBKBPRCHG-SNVBAGLBSA-N 315.369 2.123 0 40 DEAB COCCN1CCN(Cc2nc3ccccc3nc2C)C[C@H]1C 69950696 GUFMTEDNPOJMPA-CQSZACIVSA-N 314.433 2.091 0 40 DEAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCC1CCCC1 69977259 CCJXQNILUNBEHW-UHFFFAOYSA-N 324.446 2.261 0 40 DEAB O=C(NC[C@H]1CCCO1)C1CCN(Cc2ccccc2)CC1 5045709 NYUKVIIHSXTKQW-QGZVFWFLSA-N 302.418 2.194 0 40 DEAB CC[C@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251823 OPWWCEQJIKQEQN-NSHDSACASA-N 304.419 2.271 0 40 DEAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1cccnc1 5244097 YVBVWGSPZCGIPO-LBPRGKRZSA-N 324.336 2.272 0 40 DEAB biogenic CCN(CC(=O)N[C@@H](C)c1ccc(F)cc1)C[C@H](C)C(=O)OC 65493946 OGWAYYNODBKGDD-STQMWFEESA-N 324.396 2.134 0 40 DEAB Cc1nn(C)c(Cl)c1CNCc1ccc2c(c1)OCCO2 65464496 XCISWYLJDJFQOF-UHFFFAOYSA-N 307.781 2.443 0 40 DEAB O=C(Cn1cnc2cc3c(cc21)OCCCO3)NC1CCCC1 14000630 DFDFDFQVUXAECA-UHFFFAOYSA-N 315.373 2.256 0 40 DEAB CCO[C@H](C)C(=O)NCc1cc(Br)ccc1OC 65592480 LODRWTNRCURFIH-SECBINFHSA-N 316.195 2.499 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)NCC2CCCC2)n1 65983120 NPPSXSMPUXEJKK-UHFFFAOYSA-N 304.394 2.208 0 40 DEAB COc1cc(CNCc2cnc(N3CCCC3)nc2)ccc1O 65978758 MGOVZOUMTIZPQW-UHFFFAOYSA-N 314.389 2.081 0 40 DEAB CCCNC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979520 ZTLIYAHDRIVGDY-UHFFFAOYSA-N 312.369 2.407 0 40 DEAB O=C(C[C@@H](c1ccccc1)c1cccc(O)c1)N1CCNCC1 5947781 MNQZIWMRVSWHEN-SFHVURJKSA-N 310.397 2.346 0 40 DEAB Cc1ccc(O)c(CN2CCC(OC[C@@H]3CCOC3)CC2)n1 96011624 QOMOUCCLBDSIAD-CQSZACIVSA-N 306.406 2.113 0 40 DEAB CCOCCCNC(=O)c1ccc(CNC(=O)NC(C)C)cc1 8135105 DSJQYOWORIXWKP-UHFFFAOYSA-N 321.421 2.051 0 40 DEAB CC(C)(C)OC(=O)N1CCN(Cc2cccc(CO)c2)CC1 19850914 SVXAVOKCPICEEL-UHFFFAOYSA-N 306.406 2.232 0 40 DEAB Cc1cc(C)c(CNC(=O)c2coc3ccccc3c2=O)c(=O)[nH]1 84072813 LLALQQPMMCUSEP-UHFFFAOYSA-N 324.336 2.028 0 40 DEAB OC1CCN(Cc2ccccc2CNCc2cccnc2)CC1 96453989 NMRPXOPMMNFQOA-UHFFFAOYSA-N 311.429 2.328 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2c1cnn2C 71859637 LPWAHJMKEHTPFI-ZDUSSCGKSA-N 311.393 2.055 0 40 DEAB COc1cccc(CC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 71836583 QKAPEGSRBOSGSG-NSHDSACASA-N 301.390 2.465 0 40 DEAB CCC[C@@](C)(NC(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 71800171 VAGWCOIQSKSIMG-QGZVFWFLSA-N 321.373 2.310 0 40 DEAB c1ccc(-c2nnc(CN3CCCC[C@H]3Cn3cncn3)o2)cc1 71876157 LSJQBRPKCCFSAT-HNNXBMFYSA-N 324.388 2.383 0 40 DEAB CC1([C@@H]2CCCN(C[C@H](O)c3ccccc3F)C2)OCCO1 97086575 BSXVUZBTKWPDCA-CJNGLKHVSA-N 309.381 2.334 0 40 DEAB Cc1cc(NC2CCN(C(N)=O)CC2)n(Cc2ccccc2)n1 97045218 TVYDYOVTONMZAZ-UHFFFAOYSA-N 313.405 2.195 0 40 DEAB O=C(CN1CCC[C@H]2CCC[C@H]21)NC1CCC2(CC1)OCCO2 75769155 WECKBWAJOZSVHN-GDBMZVCRSA-N 322.449 2.053 0 40 DEAB Cc1ccc(CNC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)s1 72270723 GDZRBATUZLPEHQ-CYBMUJFWSA-N 318.446 2.275 0 40 DEAB O=C(Nc1ccn(CC(F)F)n1)NC1Cc2ccccc2C1 97140932 MLXNMZURBBDBHK-UHFFFAOYSA-N 306.316 2.437 0 40 DEAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cn1 72330267 CBHCSDGFUDMDPX-UHFFFAOYSA-N 306.268 2.464 0 40 DEAB Cc1ccc(CN[C@@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 72300614 IGDYIUBEGYDQHR-SWLSCSKDSA-N 314.451 2.126 0 40 DEAB CN(Cc1cc(-c2ccccn2)no1)Cc1ncccc1C(=O)O 65372416 MNPQWDYZDWJQFB-UHFFFAOYSA-N 324.340 2.462 0 40 DEAB Cn1ccc2ccc(NC(=O)N[C@H]3CC(=O)N(C4CC4)C3)cc21 84321663 APFGMIDFBVYNGU-ZDUSSCGKSA-N 312.373 2.063 0 40 DEAB Cc1cc(OCC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)no1 76044280 DNPLCGFOYXJGFY-LLVKDONJSA-N 320.349 2.232 0 40 DEAB CN1CC[C@@H](NC(=O)NCc2cc3c(s2)CCCCC3)C1=O 95399482 KYXZAZCKQCEVKX-CYBMUJFWSA-N 321.446 2.047 0 40 DEAB COc1cccc([C@@H](O)CN2CCC[C@H]2c2noc(C)n2)c1 95397646 JMCPWCSQUFUVKG-GJZGRUSLSA-N 303.362 2.257 0 40 DEAB COc1cccc(N2CCN(C(=O)c3c[nH]c(C)n3)C[C@H]2C)c1 95431494 LNKHFBIVBVLYLR-GFCCVEGCSA-N 314.389 2.078 0 40 DEAB O=C(N[C@@H](C(=O)O)c1ccccc1F)c1cc(C2CC2)on1 95464039 MXYHWVUCIBVGJK-CYBMUJFWSA-N 304.277 2.247 0 40 DEAB Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC[C@@H]1CCCO1 79361422 HELZOLRQRLVLER-LBPRGKRZSA-N 320.418 2.151 0 40 DEAB CC(C)[C@H](O)C1(CNC(=O)NCc2ccc3c(c2)OCO3)CC1 95986540 RIFXTIMALWNSFV-HNNXBMFYSA-N 320.389 2.012 0 40 DEAB Cc1nn(C)c(C)c1CCCNC(=O)c1cccc(O)c1C 95986141 VSYJLYUBHKHETL-UHFFFAOYSA-N 301.390 2.414 0 40 DEAB NC(=O)C1(CNCc2cc(Cl)cc(Cl)c2)CCOCC1 86250780 CRGUQUDYULYAPN-UHFFFAOYSA-N 317.216 2.365 0 40 DEAB Cc1cc(C)n(-c2ccccc2CNC(=O)CN(C)C(C)C)n1 89595806 BKECZZWCYDXHGB-UHFFFAOYSA-N 314.433 2.446 0 40 DEAB Cc1cc(=O)[nH]cc1C(=O)N1Cc2ccccc2N(C)C[C@@H]1C 89568384 UTFNWNKWXIZXLL-ZDUSSCGKSA-N 311.385 2.164 0 40 DEAB COc1ccc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)cc1F 75118192 ZYXGCYBUWZPYHV-JTQLQIEISA-N 304.321 2.322 0 40 DEAB C[C@H](CNC(=O)C(=O)NCc1cccs1)c1ccccc1 408707590 OWKZNXVJWMPULU-GFCCVEGCSA-N 302.399 2.284 0 40 DEAB C[C@H](CN(C)C(=O)c1ccc(C(C)(C)C)s1)c1nnn[nH]1 124424316 PDJFVXJHVINJPR-SECBINFHSA-N 307.423 2.434 0 40 DEAB CC(C)Cn1ncc(Br)c(Br)c1=O 35151579 GMYOAPAXVCMHIQ-UHFFFAOYSA-N 309.989 2.424 0 40 DEAB CC(C)c1ncc(CNC(=O)c2ccc(-c3cn[nH]c3)cn2)[nH]1 1558561536 WMJBTYYDVKHEEV-UHFFFAOYSA-N 310.361 2.248 0 40 DEAB Cc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227671 WUFXNXVFGOJCOL-IRXDYDNUSA-N 310.353 2.181 0 40 DEAB CCOc1cc(N2CCN([C@H](C)c3ccccn3)CC2)ncn1 129961340 INNTTZNZLDJBHM-CQSZACIVSA-N 313.405 2.154 0 40 DEAB Cc1nn(C)c2c(=O)n(C)c(NCc3ccccc3Cl)nc12 32651493 VTMQQLJOIHZRID-UHFFFAOYSA-N 317.780 2.241 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@@]2(O)CCCc3occc32)c1 1565522806 RALRPANYIZNLSO-SFHVURJKSA-N 314.385 2.300 0 40 DEAB Cc1ccc([C@H](C)NCc2csc(CS(C)(=O)=O)n2)o1 182578609 WTWHSEIPDSOLMU-JTQLQIEISA-N 314.432 2.440 0 40 DEAB Cc1noc(C)c1CC(=O)NCc1ccc(N2CCCC2)nc1 31314750 JKEPXUFBYRMSMS-UHFFFAOYSA-N 314.389 2.146 0 40 DEAB CCCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC 217411267 JJHDGKFMRGVOHO-UHFFFAOYSA-N 314.407 2.285 0 40 DEAB COc1c(Cl)cc(C(=O)N(C)[C@H]2CCNC2)cc1Cl 521394623 DAAKCWRYBPJWOI-VIFPVBQESA-N 303.189 2.436 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(NC(=O)C(C)C)cc2)C1 45953798 WTEKSJSNYSGZJU-GFCCVEGCSA-N 318.373 2.197 0 40 DEAB C[C@@H]1OCC[C@@H]1N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1 89555786 NQLOOWBKEMMBMV-SZMVWBNQSA-N 316.445 2.377 0 40 DEAB O=C(OCc1nc2ncc(Br)cc2[nH]1)C1=COCC1 195531634 FYBMFLGNITWLPK-UHFFFAOYSA-N 324.134 2.068 0 40 DEAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@H]21)N1CCCC1 96058264 MZHXUVCNBOVNBQ-IXDOHACOSA-N 318.417 2.129 0 40 DEAB COCCN1CC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1=O 96202849 PDDBAVCBFQCOAT-UHFFFAOYSA-N 316.445 2.374 0 40 DEAB CCN1CCO[C@@H]2CN(C(=O)CCc3ccccc3)CC[C@@H]2C1 96249572 DNDRRGOEUIVJOP-QZTJIDSGSA-N 316.445 2.188 0 40 DEAB COCCO[C@H]1CCN(C(=O)NC2CC2)[C@H]1Cc1ccccc1 96200422 IQVAHZKGIWJDLX-IRXDYDNUSA-N 318.417 2.207 0 40 DEAB CCOC[C@H]1CCC[C@]12CN(C(=O)c1cccc(C)n1)CCO2 96159878 AXTYFOYEFLRMQI-QAPCUYQASA-N 318.417 2.438 0 40 DEAB O=C(c1ncccn1)N1C[C@H]2CCC[C@@]2(COCC2CC2)C1 96217523 LFWZOFFQWVTXNO-PBHICJAKSA-N 301.390 2.146 0 40 DEAB Cc1nccc([C@@H]2C[C@H]3CN(C(=O)c4cccs4)C[C@H]3O2)n1 96100132 MNVMFHLYSHVGGX-FPMFFAJLSA-N 315.398 2.449 0 40 DEAB CCOC[C@@H]1CCC2(CCN(c3ncc(F)cn3)CC2)N1C 96207130 XULDVWCFZIINSW-AWEZNQCLSA-N 308.401 2.085 0 40 DEAB COCCN1CCC2(CC1)C[C@@H](Nc1cccc(OC)c1)CO2 96221505 YNTMZGIFJSRJES-MRXNPFEDSA-N 320.433 2.377 0 40 DEAB COC(=O)[C@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@@H](C)O1 96470130 KHGPQCQEDPYSAA-IUODEOHRSA-N 316.357 2.104 0 40 DEAB O=C([C@@H]1COC[C@H]2CN(C3CCCC3)C[C@@H]12)N1CCC(F)CC1 96038634 AALJWCHVSQNEQH-KBRIMQKVSA-N 324.440 2.084 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]1c1cnccn1 257313848 UUJKPCXUTSNJNA-OAHLLOKOSA-N 320.356 2.035 0 40 DEAB Cc1cc(C(=O)NCCOc2ccc(C(=O)O)cc2)oc1C 537482020 MVRFPKIHMFIXLJ-UHFFFAOYSA-N 303.314 2.403 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1cnccn1 257343367 ZSRMHDBGMJDKDM-AWEZNQCLSA-N 303.387 2.311 0 40 DEAB c1cc2n(n1)[C@H](CCOCC1CC1)CN(C1CCOCC1)C2 253588443 COKHGNUFRPHCGL-QGZVFWFLSA-N 305.422 2.236 0 40 DEAB CCSc1ccccc1C(=O)N1CC[C@H](N2CCOC2=O)C1 618257436 WFZOYRQIQKJCOC-LBPRGKRZSA-N 320.414 2.465 0 40 DEAB O=C(CC[C@@H]1CCCO1)N1CCC[C@H]1c1nnc2ccccn12 46175199 DGAFLLTYTTZNDV-KBPBESRZSA-N 314.389 2.352 0 40 DEAB O=C(NCc1cccs1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887246 RDVBNKWPVYQVJU-RYUDHWBXSA-N 317.418 2.417 0 40 DEAB CCCc1ccc(-c2cc(NC(=O)CNC(=O)OC)[nH]n2)cc1 54086912 MRTJIYABKBWCCQ-UHFFFAOYSA-N 316.361 2.324 0 40 DEAB Cc1noc([C@H](C)N2CCN(CCOc3ccccc3)CC2)n1 69653353 PSJQGNDNBGPWKD-AWEZNQCLSA-N 316.405 2.136 0 40 DEAB CNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1 71417476 ZQOLGNOWVNCJDI-AWEZNQCLSA-N 304.296 2.182 0 40 DEAB Cc1nc(CN2CCN(C[C@@H](O)c3ccccc3)CC2)oc1C 70040668 DPHNZVAAMAXSSZ-QGZVFWFLSA-N 315.417 2.143 0 40 DEAB COc1ccc(CC(=O)N(C)CCN2CCCCC2)cc1C 12360937 UUAUHYFRVLQZKZ-UHFFFAOYSA-N 304.434 2.490 0 40 DEAB Fc1cccc(CN2CCc3nc([C@H]4CCNC4)ncc3C2)c1 19293901 DZUZCDCWTAXGEM-AWEZNQCLSA-N 312.392 2.251 0 40 DEAB COc1ccc(N2C[C@H](NC(=O)C3CCCC3)CC2=O)cc1 4497159 KBJSLPGOCBCTQK-CYBMUJFWSA-N 302.374 2.107 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2ncccc12 1888906248 WOWWOCMDHCDKFU-UHFFFAOYSA-N 308.341 2.432 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)c2c(Br)cnn2C)C1 28575869 FVBOPDIVIOQDAG-IUCAKERBSA-N 300.200 2.301 0 40 DEAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2ccncc2)no1 35528030 DRXWKPIKDDCEIT-UHFFFAOYSA-N 317.308 2.345 0 40 DEAB NC(=O)c1ccc(CN(Cc2nnsc2Cl)C2CC2)cc1 40496586 SGTTWLRWDJCTPR-UHFFFAOYSA-N 322.821 2.455 0 40 DEAB CC(C)OCc1ccccc1CNC(=O)c1ccc(O)nn1 31340032 ZAVIEHBDZYIDKA-UHFFFAOYSA-N 301.346 2.037 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2cccn2)c1 40512924 MTNVMOYHPLCRIV-GFCCVEGCSA-N 303.362 2.168 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](CO)[C@@H](O)c1ccc(Cl)cc1 2518289 PMAGQCGQONFMQZ-RYUDHWBXSA-N 301.770 2.259 0 40 DEAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)C(=O)O 20723071 LARBWXKOICWGSS-QMMMGPOBSA-N 308.334 2.461 0 40 DEAB O=C(NCc1ccco1)[C@H]1CS[C@H]2c3ccccc3C(=O)N12 2336756 QHENUKIWYFERAK-CJNGLKHVSA-N 314.366 2.166 0 40 DEAB COC(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 382382 WOUWSUINEHPJRO-UHFFFAOYSA-N 300.358 2.440 0 40 DEAB CC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 69702341 AYKKDTZTCYAUHE-SNVBAGLBSA-N 318.381 2.242 0 40 DEAB CCOc1cccc(C(=O)Nc2nn3c(C)nnc3s2)c1 6818146 DXKTWMUQNWNMDQ-UHFFFAOYSA-N 303.347 2.145 0 40 DEAB Cc1cc(C)n(C[C@@H]2CN(c3cnc4ccccc4n3)CCO2)n1 69349661 YUUXGQKKJDNNHL-HNNXBMFYSA-N 323.400 2.349 0 40 DEAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32816413 VOTWCSRLPLPSJS-SSDOTTSWSA-N 322.233 2.314 0 40 DEAB COc1cccc(-c2ccnc3c2c(=O)[nH]c(=O)n3C(C)C)c1 10339013 OKXWGWPEUFEAOW-UHFFFAOYSA-N 311.341 2.341 0 40 DEAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CC(C)(C)CC(=O)O 8300515 ZEKJVLSZMQWMDZ-MELADBBJSA-N 310.438 2.114 0 40 DEAB biogenic,in-vitro O=C(COc1cccc(C(F)(F)F)c1)NC1=NCCS1 32996151 KCDMWCIYGBJVKH-UHFFFAOYSA-N 304.293 2.303 0 40 DEAB NC(=O)COc1ccccc1C(=O)Nc1cccc2cccnc12 21742260 GWOGIZFGMXWIHK-UHFFFAOYSA-N 321.336 2.351 0 40 DEAB CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cccc(F)c1 52133797 VYYCCJVPQPKRMI-OAHLLOKOSA-N 314.426 2.120 0 40 DEAB Cc1cc(O)nc2c(SCC(=O)c3ccc(F)cc3)nnn12 27525078 FPBLQQUVLVSNBA-UHFFFAOYSA-N 318.333 2.252 0 40 DEAB Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)Nc1ccccc1 42091312 CURCCPXLKRDZNW-UHFFFAOYSA-N 320.352 2.322 0 40 DEAB Cc1noc(C)c1CN(C)CC(=O)N1CCc2ccccc2C1 42132716 HXBCWLWCMFXUFP-UHFFFAOYSA-N 313.401 2.308 0 40 DEAB O=C(NCC1(c2ccccc2)CC1)c1c[nH]c(=O)c(Cl)c1 54150929 YYHQJMXPKFMZFN-UHFFFAOYSA-N 302.761 2.490 0 40 DEAB C[C@@H]1CCCCN1C(=O)CN1CCN(c2ccccc2)CC1 34685366 PUSANJUIBVAZCA-MRXNPFEDSA-N 301.434 2.210 0 40 DEAB Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)n[nH]1 55453617 IOXMHACJFMKAMB-UHFFFAOYSA-N 317.364 2.335 0 40 DEAB CCCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1ccncc1 57421264 WVSMNCCZDOFAPU-HIFRSBDPSA-N 303.406 2.440 0 40 DEAB O=C(NCCNC(=O)c1ccccc1F)c1ccccc1F 2024373 SYIGJTNMYZSVCI-UHFFFAOYSA-N 304.296 2.125 0 40 DEAB Cc1noc(NC(=O)CSc2nnc(C(C)C)n2C2CC2)n1 58162884 KIVPUGACRXKHEK-UHFFFAOYSA-N 322.394 2.159 0 40 DEAB Cn1nc(CNC(=O)c2cc(C3CC3)[nH]n2)c(Cl)c1Cl 36613755 KKTYJONZVBHUFC-UHFFFAOYSA-N 314.176 2.257 0 40 DEAB Cc1csc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 48231280 IDQTZMKKQCTLES-NSHDSACASA-N 301.371 2.194 0 40 DEAB CC(C)[C@@H](CNC(=O)c1ccc(Cl)s1)N1CCOCC1 48324493 WUBDLPCIKWUYKZ-LLVKDONJSA-N 316.854 2.488 0 40 DEAB COC(=O)Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O 12869759 NZBGHMGVVQYTFG-UHFFFAOYSA-N 312.247 2.102 0 40 DEAB Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1F 3404223 PUGVZWZWLGVFAV-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)c(O)c1 3436031 VXKBONCWDSNIAU-UHFFFAOYSA-N 319.288 2.335 0 40 DEAB Cc1cc(C)cc(NS(=O)(=O)c2cccn3c(C)nnc23)c1 62592017 GOUKALHXZMEXON-UHFFFAOYSA-N 316.386 2.455 0 40 DEAB in-vitro O=C(C1=CCCC1)N1CC2(C1)OCC[C@H]2COc1cccnc1 306137930 RKFSFWIFCVMEGQ-HNNXBMFYSA-N 314.385 2.188 0 40 DEAB COc1ccc(Cl)cc1CC(=O)N1CC[C@@](C)(C(=O)O)C1 62913556 VRXRQUNASPKIEN-OAHLLOKOSA-N 311.765 2.214 0 40 DEAB COc1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1Cl 13135708 SGPZXXSDIXNZKP-PHIMTYICSA-N 312.797 2.396 0 40 DEAB O=C(O)c1ccc(CNC(=O)[C@H]2COc3ccccc3C2)cc1 13261588 CPCRQWUQNSFBSD-OAHLLOKOSA-N 311.337 2.252 0 40 DEAB Cc1ccc(CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)cc1 8666681 KSWUVKMUQNFYFY-UHFFFAOYSA-N 321.380 2.481 0 40 DEAB c1cn(-c2ccc(CN3CCC[C@@H]3Cn3cncn3)cc2)cn1 69620986 KTUGQWKFRSSGGU-QGZVFWFLSA-N 308.389 2.128 0 40 DEAB Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@H](O)C1 69655786 WDRMTOIATKROTO-ZDUSSCGKSA-N 301.390 2.185 0 40 DEAB CN(C)c1ccc(C(=O)NCc2nc(-c3ccco3)n[nH]2)cc1 69696750 TVBIOENNBPCBNK-UHFFFAOYSA-N 311.345 2.061 0 40 DEAB CC(C)(C)OC(=O)N1CCOC[C@@]12COc1cc(N)ccc12 306145793 QIGPGGGYGSBUEO-INIZCTEOSA-N 306.362 2.124 0 40 DEAB O=C(O)CSc1nnc(-c2ccco2)n1Cc1ccco1 5046053 QIRIEGTYGKUHOB-UHFFFAOYSA-N 305.315 2.356 0 40 DEAB CN(C(=O)c1cc2ccccc2s1)[C@H]1CCS(=O)(=O)C1 14137875 CJQBRLQLJNVKMB-NSHDSACASA-N 309.412 2.160 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cn2ccccc2n1 8776061 DYHUNWBPYSRRSI-HNNXBMFYSA-N 324.384 2.494 0 40 DEAB CCN(CC)C(=O)c1cccc(NC(=O)NC[C@@](C)(O)CC)c1 66158315 GPYRDNDVFPJLHA-KRWDZBQOSA-N 321.421 2.451 0 40 DEAB CN1C[C@H](NCc2cn(C)nc2-c2ccccc2Cl)CC1=O 66905814 VDOCQIXCCGZJJJ-GFCCVEGCSA-N 318.808 2.061 0 40 DEAB CCn1c(SCC(=O)Nc2cc(C)on2)nnc1C1CC1 7618276 MSPSZRPZLQHUCG-UHFFFAOYSA-N 307.379 2.203 0 40 DEAB C[C@@H](NC(=O)CC1CCN(C)CC1)c1nc(C(C)(C)C)no1 96012433 NWAKGOBCUCUFJI-LLVKDONJSA-N 308.426 2.276 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C)nc1C)CC2 89986446 FYJBTESDVHDDKV-HOTGVXAUSA-N 318.417 2.091 0 40 DEAB Cc1c(Cl)cccc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 9358210 CZAQLWXPRNYBAW-GHMZBOCLSA-N 316.835 2.302 0 40 DEAB CCOC(=O)CCN(CC1CC1)C(=O)[C@H]1CCCc2cn[nH]c21 89983695 IKPMHNKRKFWKHK-AWEZNQCLSA-N 319.405 2.021 0 40 DEAB CS(=O)(=O)c1nccn1Cc1cccc(C(F)(F)F)c1 96444628 DLNKGMKLOOPHPX-UHFFFAOYSA-N 304.293 2.354 0 40 DEAB CC[C@H](C(=O)N[C@H]1COc2c1ccc(C)c2C)N1CCCC1=O 96436343 SJOJEOYLLYDOJS-LSDHHAIUSA-N 316.401 2.254 0 40 DEAB CNC(=O)c1cccnc1NCc1ccc(Cn2cccn2)cc1 96429151 RIDKISCYIAIQQO-UHFFFAOYSA-N 321.384 2.298 0 40 DEAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1c[nH]c2ncccc12 71822641 HSNGLJXRTAKAGI-AWEZNQCLSA-N 308.341 2.059 0 40 DEAB Cc1ccc(-n2nnnc2N2CCC(CCN(C)C)CC2)cc1 71819399 SWJXDHOULGVUEY-UHFFFAOYSA-N 314.437 2.139 0 40 DEAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)CC(=O)OC)cc1 71853842 VDFXVBMWDVZDIM-ZDUSSCGKSA-N 306.406 2.210 0 40 DEAB CCN(C(=O)NCC(=O)N1CCCc2ccccc21)C1CC1 89960913 FXUMMWVLYNUEGU-UHFFFAOYSA-N 301.390 2.160 0 40 DEAB CCn1ccc2ccc(NC(=O)NCCN3CCOCC3)cc21 71920098 GQSZZFWFHXVDAS-UHFFFAOYSA-N 316.405 2.115 0 40 DEAB CN(C[C@@H]1CCCO1)C[C@@H](c1cccs1)N1CCOCC1 75603729 NVIGZZYRBSCWAG-GJZGRUSLSA-N 310.463 2.232 0 40 DEAB C[C@@H](NC(=O)NCCOc1ccc(F)cc1F)[C@H]1CCCO1 72270116 PMTSGBVJCMFSQZ-ZWNOBZJWSA-N 314.332 2.210 0 40 DEAB C[C@@H](CCc1ccccc1F)C(=O)NS(=O)(=O)CC1CC1 76090391 DKLPLMXKIGTCEG-NSHDSACASA-N 313.394 2.250 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2Cc3cccc(F)c3O2)no1 72299064 PPSOCEPDLQPLCI-OLZOCXBDSA-N 317.320 2.184 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCn3cncn3)C2)sc1C 72297401 ADNDWAPZXAXVAN-ZDUSSCGKSA-N 319.434 2.148 0 40 DEAB Cc1cccc(N2CCC[C@@H](C(=O)NCC(F)(F)F)C2)n1 97163338 BVWVOIPAMBJLKX-LLVKDONJSA-N 301.312 2.285 0 40 DEAB Oc1cccc(CN2CCN(c3cncc(Cl)n3)CC2)c1 72302093 RTOQNQKAEDVDBB-UHFFFAOYSA-N 304.781 2.158 0 40 DEAB O=C(c1ccncc1)N1CCC(C(=O)O)(c2ccccc2)CC1 95373470 JUUMZNLLXYAWAP-UHFFFAOYSA-N 310.353 2.340 0 40 DEAB Cn1ccc(C(=O)N2CCN(CC3CC3)c3ccccc32)cc1=O 73304831 UVMXZZURSJGMFE-UHFFFAOYSA-N 323.396 2.262 0 40 DEAB Cn1cc(N2CCC[C@@H](Nc3cc(F)c(F)c(F)c3)C2=O)cn1 98014372 LJWYRSHGSUKJHE-CYBMUJFWSA-N 324.306 2.445 0 40 DEAB NC(=O)c1cccc(COC(=O)c2ccc(-n3cccc3)nc2)c1 79055960 VXRUGDWFYGCMLV-UHFFFAOYSA-N 321.336 2.328 0 40 DEAB O=C(Nc1cc(C(F)(F)F)n[nH]1)c1cccc(-c2ncn[nH]2)c1 95982684 PSDSANBKKLWNEE-UHFFFAOYSA-N 322.250 2.466 0 40 DEAB CC(=O)c1c(C)cc(C)c(COC(=O)[C@@H]2COCCN2C)c1C 95942955 VKZDCBNQQUNHPN-INIZCTEOSA-N 319.401 2.188 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NCCOc2ccccc2)c1C 9950618 FNJCZXXFCLKTNO-UHFFFAOYSA-N 316.357 2.227 0 40 DEAB COCCOc1ccc(F)cc1NC(=O)CSCC(C)=O 75110987 JBAMSXUMXXOEFY-UHFFFAOYSA-N 315.366 2.112 0 40 DEAB CC(C)c1nc2n(n1)C[C@H](N[C@H]1COc3ccccc3C1)CC2 556119433 XXJKTJIPZDXSFP-HUUCEWRRSA-N 312.417 2.310 0 40 DEAB COc1ccc(-c2nnc(CN(C)C(=O)C(C)C)o2)cc1OC 408714682 VCITZNTVKBWQOO-UHFFFAOYSA-N 319.361 2.368 0 40 DEAB CCCNC(=O)COc1c(Cl)cccc1CCC(=O)OC 521396172 JZTOFENWBHXWNN-UHFFFAOYSA-N 313.781 2.351 0 40 DEAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCO[C@@H](COC)C1 75804214 YGAKQQOTLKIGFB-DLBZAZTESA-N 320.433 2.373 0 40 DEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC[C@H]2CCCO2)C1=O 189168026 XPRFCUHGGHGMLJ-QAPCUYQASA-N 316.401 2.499 0 40 DEAB CNC(=O)c1ccc(N[C@@H](C)[C@H](O)c2ccc(Cl)cc2)nn1 74768998 KNLFKBHKAZNOKQ-XPTSAGLGSA-N 320.780 2.024 0 40 DEAB O=C(C[C@@H](c1ccccc1)C1CCNCC1)N1CCOCC1 72208360 YXQDIOBFNMTWPW-KRWDZBQOSA-N 302.418 2.019 0 40 DEAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3c(C)noc3C)C2)n1 72369686 SNTGGPKUKROXCH-ZDUSSCGKSA-N 300.362 2.328 0 40 DEAB CC[C@](CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C)(C(=O)O)c1ccccc1 563201692 YSEGCPIYJSFOBB-HOPMXRPOSA-N 319.401 2.349 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 223033041 IXNPMLPEXTWXAE-HUUCEWRRSA-N 316.430 2.337 0 40 DEAB O=C(/C=C/c1ccc(F)cc1)N1CCC[C@@H]1CN1CCOCC1 80907275 RAXZSIMMLCLRIF-ZGRWHYIRSA-N 318.392 2.162 0 40 DEAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@@H](CC(C)C)C(=O)OC 199417248 DTQJPBPYTTZHCH-LSDHHAIUSA-N 310.438 2.469 0 40 DEAB O=C(Cc1ccc(F)cc1Cl)N1CCCC2(C1)OCCO2 195546429 NIGUXQYZZNKQNX-UHFFFAOYSA-N 313.756 2.387 0 40 DEAB COc1ccc2c(c1)CCN(C(=O)[C@H]1CCc3[nH]cnc3C1)C2 225507971 MMCYXKRACJXIBT-ZDUSSCGKSA-N 311.385 2.108 0 40 DEAB Cc1nc(C)c(CCNC(=O)c2cc(O)nc(C3CC3)n2)s1 575000907 RGOFNSAIKRUTJF-UHFFFAOYSA-N 318.402 2.105 0 40 DEAB C[C@H]1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@H]1n1ccnc1 192396134 MLTCBXBUXXNIIV-UONOGXRCSA-N 321.421 2.415 0 40 DEAB CCc1nsc(NC2CCN(C(=O)NC(C)(C)C)CC2)n1 195560965 BTIGDZGPYAQYEU-UHFFFAOYSA-N 311.455 2.485 0 40 DEAB Cc1cccn2c(CN3CCN(Cc4cccnc4)CC3)cnc12 195561859 LZMPLMLKVDSSCM-UHFFFAOYSA-N 321.428 2.356 0 40 DEAB O=C(c1ccc[nH]c1=O)N1CC[C@H](COCc2ccccc2)C1 96426843 WCOVJOFEPOJSTP-HNNXBMFYSA-N 312.369 2.054 0 40 DEAB CO[C@H]1CCN(C(=O)C2CCOCC2)[C@H]1Cc1ccccc1 96200393 LAONCZRZVGPVRE-IRXDYDNUSA-N 303.402 2.272 0 40 DEAB C[C@@]1(NC(=O)NCCOCc2cccc(Cl)c2)CCOC1 96485171 YDZYCYWSPAFCRT-OAHLLOKOSA-N 312.797 2.335 0 40 DEAB Cc1cc(-n2cncn2)ccc1C(=O)N[C@H](C)COCC(C)C 96426371 KUZJPKPXRTZFAA-CQSZACIVSA-N 316.405 2.367 0 40 DEAB CCc1cc(NC(=O)c2ccc(-n3cncn3)c(C)c2)nc(C)n1 96446736 IKMDLKYCCXBQJJ-UHFFFAOYSA-N 322.372 2.489 0 40 DEAB N[C@H](C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccccc1 95466791 IVXCZCZTIFLMJS-IRXDYDNUSA-N 314.385 2.487 0 40 DEAB O=C(Cc1cccnc1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 96410075 LPNAMNZKHDYORX-QGZVFWFLSA-N 323.396 2.045 0 40 DEAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NC(C)C)C2)cc1 96252859 BMAKLAIFSJPICU-IXDOHACOSA-N 302.418 2.109 0 40 DEAB COC(=O)COc1cc(Cl)c(OCC(=O)OC)cc1Cl 255187380 DCVPZAXQBCAPGP-UHFFFAOYSA-N 323.128 2.097 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 257222523 DTPIPGFXRCHNJY-HNNXBMFYSA-N 315.373 2.087 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@](C)(O)Cc2ccccc2)cc1 299803605 FXUSQODAXPSSRF-KRWDZBQOSA-N 319.426 2.267 0 40 DEAB CN(CCn1cccn1)[C@H](C(=O)O)c1c(F)cccc1Cl 565106349 XTLMSAKKTJSPQO-ZDUSSCGKSA-N 311.744 2.433 0 40 DEAB CC[C@@H](O)CN(Cc1ccccc1)C(=O)[C@@]1(C)CCCNC1 195554556 SMOXBLZBRCNAPH-AEFFLSMTSA-N 304.434 2.176 0 40 DEAB Cc1ncc(CN2C[C@H]3C(c4ccccc4C)=NO[C@H]3C2)cn1 19236972 XCGODBKYGKTDDD-SJORKVTESA-N 308.385 2.328 0 40 DEAB Cc1ncc(CN2CC[C@@]3(CCc4ccccc4C(=O)N3)C2)cn1 19287215 XUCVCNJSTCHBGM-IBGZPJMESA-N 322.412 2.106 0 40 DEAB CC[C@@H](C(=O)Nc1cc(Br)ccc1O)N(C)C 152130757 FEXXRHUGAKACKP-JTQLQIEISA-N 301.184 2.433 0 40 DEAB COC(=O)[C@H](NCc1csnn1)c1ccc(Cl)c(F)c1 154716245 PBRDCKZGXHPBQL-LLVKDONJSA-N 315.757 2.335 0 40 DEAB O=C(OCC(O)COC(=O)c1ccccc1)c1ccccc1 15261729 ITRIWXSLDIKBHK-UHFFFAOYSA-N 300.310 2.061 0 40 DEAB biogenic,in-vitro Cc1noc(C)c1CN1CCC[C@@H](C(=O)N2CCSCC2)C1 1889101227 WBFBNEZOGHEAAP-CQSZACIVSA-N 323.462 2.079 0 40 DEAB COc1ccc(CN(C)c2cc(C)nc3ncnn23)c(OC)c1 32533972 AHQKQXSFLNOAIC-UHFFFAOYSA-N 313.361 2.086 0 40 DEAB CCCCCC(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2CCOC 1775964346 ICNPSCGFXYENNH-CAOSSQGBSA-N 324.465 2.202 0 40 DEAB biogenic,in-vitro Cn1ncc(Br)c1C(=O)NCc1ccc(F)cc1 28576962 RBGAMPKCVSOFNW-UHFFFAOYSA-N 312.142 2.252 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1c[nH]c2nc(=N)ccc-2n1 2037838356 FSZLJUSTSCKKDT-GFCCVEGCSA-N 315.377 2.461 0 40 DEAB COCCn1cc(NC(=O)NC(C)(C)CO)c2ccccc21 5266347 CPOBUGUJYXZGFH-UHFFFAOYSA-N 305.378 2.180 0 40 DEAB CN1CCC(CNS(=O)(=O)c2cccc3ccccc23)CC1 22999748 YALNCCXJRJLIQY-UHFFFAOYSA-N 318.442 2.460 0 40 DEAB COc1ccc2nccc(C(=O)NCCn3nc(C)cc3C)c2c1 2069560502 VAYWZDJRXAWYQP-UHFFFAOYSA-N 324.384 2.487 0 40 DEAB O=C(NCCOc1ccccc1)c1cc2ccccc2c(=O)[nH]1 29225019 IIYUFEQUBXEQMR-UHFFFAOYSA-N 308.337 2.337 0 40 DEAB O=C(NCc1cccnc1-n1cncn1)c1ccccc1Cl 40108914 JGHXSCLGGFULII-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CC[C@H]1CN(C(=O)c2ccc(-n3nc(C)cc3C)nc2)CCO1 30848219 WXBXALMBTSHTIN-HNNXBMFYSA-N 314.389 2.135 0 40 DEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccn1 40461030 XKFGXBZJBSTJGM-NSHDSACASA-N 304.371 2.056 0 40 DEAB COc1ccc(S(=O)(=O)N(CCO)C2CCCCC2)cc1 29428 WZEMYPBYWKTIEC-UHFFFAOYSA-N 313.419 2.011 0 40 DEAB CC(C)(C)c1nc(CN2CCN(c3ccccc3O)CC2)no1 45810066 QURZDHPARMTSKE-UHFFFAOYSA-N 316.405 2.395 0 40 DEAB Cc1cccn2c(CN3CCS[C@H]4COCC[C@@H]43)cnc12 91856286 DFSYIMBNOAVPEW-GJZGRUSLSA-N 303.431 2.349 0 40 DEAB O=C1NC[C@@H]2CN(Cc3cccc(Cl)c3Cl)CCN12 91865508 XAWCANMOLGVXIX-SNVBAGLBSA-N 300.189 2.203 0 40 DEAB O=C1c2ccccc2C(=O)N1CCSc1nncn1C1CC1 11718228 ZJPHGGKMRMJWHX-UHFFFAOYSA-N 314.370 2.001 0 40 DEAB COc1cc(C(=O)N(C)Cc2ccco2)cc2c1OCCO2 17791028 PLKCFJAJSXZVQG-UHFFFAOYSA-N 303.314 2.332 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1cc(C(C)C)on1 101871421 RZYXFWQNQIXQIE-TXFQPVFDSA-N 306.362 2.116 0 40 DEAB CCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21 4093142 XSNIIVHXDKJOMO-UHFFFAOYSA-N 323.352 2.052 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1ccc(Br)s1 32816733 JBMJZMRZYWGNHL-UHFFFAOYSA-N 306.181 2.192 0 40 DEAB CCOC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)[nH]1 7605171 UQRGKHIJTGOQPD-UHFFFAOYSA-N 320.374 2.085 0 40 DEAB Cc1nnc(S/C(=C\c2ccc3c(c2)OCCO3)C(=O)O)o1 7603626 FBFIPOKDJWYYDS-GHXNOFRVSA-N 320.326 2.367 0 40 DEAB CCN1C(=O)/C(=C/c2ccc(OC)cc2OC)N(C)C1=S 586110 GDTUTLQPDNYIRQ-WQLSENKSSA-N 306.387 2.124 0 40 DEAB Cc1cnc(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)cn1 22619873 CDGFVGZMIKBWBJ-HNNXBMFYSA-N 318.808 2.471 0 40 DEAB COc1ccc([C@@H](CNCc2cccnc2)N(C)C)cc1OC 22924277 LXDVGHVTFKNJIO-MRXNPFEDSA-N 315.417 2.491 0 40 DEAB O=C(CN1CCCC1=O)N1CCC(Cc2ccccc2)CC1 61470147 QYNYZZUCOGHEAF-UHFFFAOYSA-N 300.402 2.090 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1 89818570 HESIEZYAKLEZNK-CQSZACIVSA-N 307.438 2.350 0 40 DEAB O=C(Nc1ccc(F)cc1F)c1ccc(-n2cncn2)nc1 1387939 YENJUOVUPPAGQM-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB O=C(COC(=O)C1CCOCC1)Nc1ccc(F)c(Cl)c1 24934356 FRJYPKBMSJQOHY-UHFFFAOYSA-N 315.728 2.387 0 40 DEAB O=C(c1cccnc1)N1CCN(c2nc3ccccc3o2)CC1 1422705 SDNDQIYIVPZQMM-UHFFFAOYSA-N 308.341 2.185 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1nc(C3CC3)cs1)CS2 26050437 WBWIRTCRFMGIJR-IINYFYTJSA-N 323.443 2.413 0 40 DEAB CCOC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3204206 DYGUJTAGRHYCOM-MRXNPFEDSA-N 323.348 2.457 0 40 DEAB C[C@@H]1CCCN(c2ccccc2OCC(=O)N2CCOCC2)C1 69702024 LVONWMHZEADTFB-OAHLLOKOSA-N 318.417 2.161 0 40 DEAB O=C(Cn1ccc(=O)c2ccccc21)NOCc1ccccc1 58357834 IIFHVRQHTWMKJQ-UHFFFAOYSA-N 308.337 2.250 0 40 DEAB CNC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 36750899 NIEOUVZDPWDOAZ-LLVKDONJSA-N 324.808 2.092 0 40 DEAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc(-c2ccco2)[nH]n1 48236273 RTCYCUNUGQTENB-BXUZGUMPSA-N 300.362 2.026 0 40 DEAB CC(=O)NCc1ccc(C(=O)CSc2nncs2)cc1 12983360 KIQAKHCKERJIML-UHFFFAOYSA-N 307.400 2.149 0 40 DEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H](n2cccn2)C1 69348503 OROOMPWHOIKSQI-AWEZNQCLSA-N 322.368 2.202 0 40 DEAB c1ccc(CO[C@H]2CN(c3ncccn3)Cc3cccn3C2)nc1 306133542 MPABMWDCRLNIMA-QGZVFWFLSA-N 321.384 2.279 0 40 DEAB COc1c(CN[C@H](CC(C)C)C(=O)N(C)C)c(C(C)C)nn1C 65474473 DJLLQLDRPMSEJB-CQSZACIVSA-N 324.469 2.145 0 40 DEAB CCC[C@H]1CCCN(Cc2nc(O)c3cnn(C)c3n2)CC1 65403199 VDTTTWDUYNITRL-LBPRGKRZSA-N 303.410 2.471 0 40 DEAB O[C@@H](CNCc1c[nH]nc1-c1cccnc1)c1ccc(F)cc1 65457518 HDEZTWPMTUUQIM-INIZCTEOSA-N 312.348 2.434 0 40 DEAB COc1ccc([C@H]2CCCN2Cn2nc3ccccn3c2=O)cc1 14201264 FKWKYVBGYKIZBC-MRXNPFEDSA-N 324.384 2.299 0 40 DEAB Cc1cccc(C(=O)N2CCn3c(C)nnc3C2)c1-n1cccc1 69565021 PODMBWZFJSSPQZ-UHFFFAOYSA-N 321.384 2.342 0 40 DEAB COc1ccc([C@H](C)NC(=O)C(=O)NC2CCCCC2)cc1 170333220 MTDCHQJYVOZNQG-LBPRGKRZSA-N 304.390 2.321 0 40 DEAB C[C@@H](O)CN1CCC(CN(C)c2ncnc3ccccc23)CC1 69901436 UMKXJXMFKAFPDI-CQSZACIVSA-N 314.433 2.159 0 40 DEAB O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NC1CC1 6989497 BNRBUGJYHQHLLV-UHFFFAOYSA-N 308.381 2.213 0 40 DEAB C[C@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N(C)C 7319077 UUSHSTHEIAYTEJ-VIFPVBQESA-N 310.810 2.490 0 40 DEAB COc1ccc(C(=O)N2CCC(=O)CC2)cc1Br 8709656 MLJOWNOSKZTUJI-UHFFFAOYSA-N 312.163 2.263 0 40 DEAB O=c1[nH]c2c(Br)cc(Br)cc2c(=O)o1 8731209 ISBVTKNCSLRDBE-UHFFFAOYSA-N 320.924 2.006 0 40 DEAB C[C@@H](CNC(=O)NCc1ccccn1)Oc1ccc(F)cc1 80616634 SKRFACWPGLPUTF-LBPRGKRZSA-N 303.337 2.487 0 40 DEAB Cn1c(SCC(=O)NCC(F)(F)F)nc2ccccc21 15980189 INZPZOKJVZYDDT-UHFFFAOYSA-N 303.309 2.344 0 40 DEAB Cc1[nH]ncc1C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 76085096 CEWOBRBRQUFSLW-LLVKDONJSA-N 314.172 2.488 0 40 DEAB O=C(c1cccc2[nH]cnc12)N1CCc2ccccc2[C@H]1CO 97097697 FLPKZJGRDNAQKO-MRXNPFEDSA-N 307.353 2.295 0 40 DEAB CC(=O)Nc1ccc(C(=O)NCc2cn3ccccc3n2)cc1 9318831 ZOKOSAMKWFEDKU-UHFFFAOYSA-N 308.341 2.223 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](n2ccnc2)C1 71796460 FJZSMBDTTPCMCC-SMDDNHRTSA-N 302.378 2.455 0 40 DEAB Cc1ccc(CS(=O)(=O)c2nnc(N3CCCC3)s2)cc1 96403888 GIHFXSVADRSFCT-UHFFFAOYSA-N 323.443 2.421 0 40 DEAB O=C(NCCc1cscn1)c1cnn(Cc2ccccc2)c1 71896344 DHHYOAUCSIAYTI-UHFFFAOYSA-N 312.398 2.360 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1cccnc1 71876733 ATHOLVAUBUTYRN-OAHLLOKOSA-N 313.405 2.208 0 40 DEAB COc1ccccc1C[C@H]1CCCN1C(=O)c1cccc[n+]1[O-] 71844408 VPNNBEQJTNFUTL-OAHLLOKOSA-N 312.369 2.176 0 40 DEAB CC(C)OC(=O)c1cccnc1N1CCN2CCCC[C@@H]2C1 96503033 AUEPZGWZJQZYNM-CQSZACIVSA-N 303.406 2.321 0 40 DEAB NC(=O)[C@@H]1CCCN1CCCc1ccccc1Br 97085851 ZZNGEBTZNINDIR-ZDUSSCGKSA-N 311.223 2.331 0 40 DEAB CCS(=O)(=O)Nc1cc(F)c(Br)cc1F 97102208 WJSCGZNGLWLGTR-UHFFFAOYSA-N 300.124 2.489 0 40 DEAB CNC(=O)CCOC(=O)c1c[nH]nc1-c1ccccc1Cl 97147542 ADTHXXMAMNQYMC-UHFFFAOYSA-N 307.737 2.023 0 40 DEAB CS(=O)(=O)c1cnc(Sc2ccc(Cl)cc2)nc1N 94992883 SKNAWZRMTYWSCQ-UHFFFAOYSA-N 315.807 2.267 0 40 DEAB O=S1(=O)CC[C@@H](CNCc2ccc(Cl)c3cccnc23)C1 95415402 HSTOPCDDMMTPFB-NSHDSACASA-N 324.833 2.413 0 40 DEAB CCn1c(CNc2ccc(OCCO)nc2)nc2ccccc21 95436178 MATGDGZWSPORSN-UHFFFAOYSA-N 312.373 2.434 0 40 DEAB CCC(N)(CC)CNS(=O)(=O)c1cccc2cnccc12 95431202 LHHUKDBGXCYQQY-UHFFFAOYSA-N 307.419 2.031 0 40 DEAB CSCC[C@H](C)NC(=O)NC[C@@](C)(O)c1ccc(C)o1 78942259 UPVUNGALMKTYDF-IINYFYTJSA-N 300.424 2.236 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CCCC[C@H]1c1nc[nH]n1 95989313 RGYNFZDKRRCKRS-ZDUSSCGKSA-N 306.316 2.379 0 40 DEAB CC[C@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 74266491 ORXMXNLCTAUPQR-AWEZNQCLSA-N 323.462 2.166 0 40 DEAB CCCOC(=O)c1cc(NC(=O)CC)ccc1N1CCOCC1 9934574 SOWDIXYMYAALOW-UHFFFAOYSA-N 320.389 2.439 0 40 DEAB NC(=O)Nc1cc(Br)cnc1OCC(F)(F)F 75139086 VTQNPCUHKOVEIR-UHFFFAOYSA-N 314.061 2.276 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](c3nncn3C)C2)o1 89652403 NXUVIBMIINYAAE-OLZOCXBDSA-N 317.393 2.367 0 40 DEAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccoc1 36611861 YNTPCEPRNKNWEE-JTQLQIEISA-N 306.347 2.055 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](N)[C@@H]2c2cccc(F)c2)cc1 218571400 NLISCQDDKOTVIM-HRCADAONSA-N 305.374 2.401 0 40 DEAB COC(=O)C(C)(C)NC(=O)Cc1nc(-c2cccs2)oc1C 37175896 QYNCWVVQFQOESQ-UHFFFAOYSA-N 322.386 2.322 0 40 DEAB Brc1cnc(NCCCOC[C@@H]2CCOC2)nc1 77229681 CTRPAZPPCTXASN-JTQLQIEISA-N 316.199 2.094 0 40 DEAB Cc1cc(N(C)C)nc(NCc2cnc(C)n2-c2ccccc2)n1 558652671 GSDPRHJSADWYRF-UHFFFAOYSA-N 322.416 2.957 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C)c1 78288783 BBOLFXLCLLBTNQ-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB Cc1ocnc1CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 134386710 FKCMLVOWOKVCIN-UHFFFAOYSA-N 316.357 2.348 0 40 DEAB CCOCc1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 71195466 GVSXWMZUKYIYDG-BETUJISGSA-N 313.419 2.021 0 40 DEAB COC(=O)C1CCN(C(=O)c2cc(OC)c(C)c(OC)c2)CC1 42236547 OQVUZQTWGLSUBV-UHFFFAOYSA-N 321.373 2.037 0 40 DEAB Cc1ncsc1C(=O)N1CCC[C@H]1c1nnc2ccccn12 43285746 WYMPNNGZLWMRJZ-NSHDSACASA-N 313.386 2.472 0 40 DEAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)C 222897271 FXNZWDMHHRQUFA-CQSZACIVSA-N 304.434 2.401 0 40 DEAB CCOC(=O)[C@H](N)Cc1c[nH]c2ccc(Br)cc12 44341039 SFZGEFLYBJGMPV-LLVKDONJSA-N 311.179 2.363 0 40 DEAB O=C(NCc1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCC2 49547176 LQVBATXCNRYUDP-UHFFFAOYSA-N 302.761 2.447 0 40 DEAB O=C(/C=C/c1ccccc1Cl)N[C@H]1CC(=O)N(C2CC2)C1 75158412 GCYAKDQZPYQIRF-ZCRIDZFUSA-N 304.777 2.233 0 40 DEAB COc1ccc(CNC(=O)NC[C@H](O)c2cccs2)cc1 75156123 VOTYVTVPVGZOJM-ZDUSSCGKSA-N 306.387 2.290 0 40 DEAB COc1cc(C)nc(NC(=S)NCc2ccc(F)cc2)n1 225948914 JPFQSOGVJBEBEZ-UHFFFAOYSA-N 306.366 2.419 0 40 DEAB C[C@@H]1OCC[C@@H]1C(=O)NC[C@@](C)(Cc1ccccc1)[C@@H](C)O 331144348 YRDSICBFDDRQKH-JSSFPYSZSA-N 305.418 2.157 0 40 DEAB CC[C@H](C)[C@@H](CO)NC(=O)c1ccc2c(ccn2CCOC)c1 575444463 DCJLBGYSZODLKL-XJKSGUPXSA-N 318.417 2.425 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(C(=O)N(C)C)C3)CC2=O)cc1 96077394 NVXSNWZDACFXQS-KRWDZBQOSA-N 301.390 2.105 0 40 DEAB Cn1c(CNC(=O)c2ccc(N[N+]#N)nc2)nc2ccccc21 95473178 YAGHGVUWKLTCRK-UHFFFAOYSA-O 308.325 2.078 0 40 DEAB C[C@@H](C(=O)NCCc1ccccc1)n1cnc2ccccc2c1=O 94993053 WXBQNULYNLXEIF-AWEZNQCLSA-N 321.380 2.316 0 40 DEAB CN(C)CCN1CC[C@@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 96038552 HQZSSAONFCUARV-JKSUJKDBSA-N 321.852 2.190 0 40 DEAB CNC(=O)C1CCN(C(=O)CNc2c(C)cccc2Cl)CC1 95418008 DLWFIACLMHJIDL-UHFFFAOYSA-N 323.824 2.045 0 40 DEAB CC(C)Nc1ncnc2c1CCN(CC1CCOCC1)CC2 96255542 LSFKLRGWMJNPJY-UHFFFAOYSA-N 304.438 2.124 0 40 DEAB COc1ccccc1C1=NO[C@](C)(C(=O)NCc2ccco2)C1 96193087 MSHFUDCZULSZGS-KRWDZBQOSA-N 314.341 2.488 0 40 DEAB Cc1ccc(Cl)c(OC[C@@H](O)CN(C)c2cnn(C)c2)c1 97373559 SMIRQOYUPWOCCV-ZDUSSCGKSA-N 309.797 2.258 0 40 DEAB CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1 96206392 DPPUVQVFUHBLHG-GDBMZVCRSA-N 323.462 2.143 0 40 DEAB Cc1noc([C@@H]2CCO[C@@H]3CCN(Cc4ccco4)C[C@@H]32)n1 96100077 UYTZOZYMWDBJGR-RBSFLKMASA-N 303.362 2.366 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)Nc2cccc(F)c2)C1 96419830 PAVBOKMMICUJHT-QWHCGFSZSA-N 314.382 2.303 0 40 DEAB CS[C@@H](C)CC(=O)Nc1cn(C)cc(Br)c1=O 97237813 IPRIOBLBSFHQSR-ZETCQYMHSA-N 319.224 2.228 0 40 DEAB Cc1cc(C(=O)NCc2cc(-c3cnccn3)nn2C)c(C)o1 240178543 YZKZOPPGMRCLOK-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB Cc1ccc(CN2CC[C@@H](c3[nH]ncc3C(=O)N(C)C)C2)s1 257219234 DGCOAELQTSPXQH-GFCCVEGCSA-N 318.446 2.471 0 40 DEAB Cc1nccc([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 257310654 UFZOURSTJWSAGB-GFCCVEGCSA-N 323.443 2.415 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 257201861 AJISSGQFLQHHNX-ZDUSSCGKSA-N 311.341 2.143 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)n1 257242195 IBLXTRSQUSQUKX-MRXNPFEDSA-N 322.368 2.480 0 40 DEAB COc1ccc(C[C@@H]2CN(C(=O)c3ccccn3)CCO2)cc1 257215999 CSPUMKZXNDYKEI-MRXNPFEDSA-N 312.369 2.174 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CC[C@@H](c2ccn[nH]2)C1 257205873 BAXUHFHXYZNUIF-CYBMUJFWSA-N 309.373 2.084 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cncc(C3CCN(C)CC3)n2)C1 257239793 HQUSIVDIYXRBFJ-CYBMUJFWSA-N 302.422 2.158 0 40 DEAB OCCOc1cccc(CN2CCC[C@H](c3ccncn3)C2)c1 257213624 CIJSARDJTSIAIL-INIZCTEOSA-N 313.401 2.227 0 40 DEAB Cc1nnc(CN2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)o1 257228107 FSHRJGBOFRHCGB-VHDGCEQUSA-N 300.362 2.062 0 40 DEAB Cc1cccc(C[C@@H]2CCCN(C(=O)Cn3ccnc3C)C2)n1 257342794 ZQEJWBGSDIZITJ-INIZCTEOSA-N 312.417 2.376 0 40 DEAB O=C1Nc2ccccc2CC[C@@H]1N1CCC(O)(C(F)F)CC1 390833693 LMWNUWVOPZEWEQ-ZDUSSCGKSA-N 310.344 2.032 0 40 DEAB O=C(c1cccc(F)c1)N1CC[C@](O)(COc2ccccc2)C1 585268852 BIJQMPBNLHNHPA-GOSISDBHSA-N 315.344 2.482 0 40 DEAB CCCC(=O)N1CCCN(CC(=O)Nc2cccc(F)c2)CC1 58171306 VCOMRUCMIMSCAI-UHFFFAOYSA-N 321.396 2.099 0 40 DEAB CC(C)N(Cc1cnn(C)c1)S(=O)(=O)Cc1ccccc1 55299829 NFTDNGNLIJCRQJ-UHFFFAOYSA-N 307.419 2.161 0 40 DEAB CC(C)(C)c1nsc(N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)n1 1548452872 QDTAKOCPQALRTQ-SECBINFHSA-N 320.422 2.024 0 40 DEAB C[C@H](NCc1cnc(N2CCCC2)nc1)[C@H](C)n1cccn1 69372289 IWNZZCCFMRGWJO-KBPBESRZSA-N 300.410 2.013 0 40 DEAB COc1ccc(CCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)cc1 1549747162 RLYCHRKSGSYCNW-ZDUSSCGKSA-N 314.389 2.067 0 40 DEAB CCN1C[C@@H](C(=O)NCCc2c[nH]c3cc(C)ccc23)CC1=O 69485712 VGNZYESXFQPMQN-AWEZNQCLSA-N 313.401 2.003 0 40 DEAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCn2ccnc2C1 97201552 PCXUDMHARVXXNR-KRWDZBQOSA-N 312.417 2.308 0 40 DEAB O=c1ccc(Br)cn1Cc1nnc(C2CCC2)o1 89765129 MZRBUNVQKUQUQK-UHFFFAOYSA-N 310.151 2.310 0 40 DEAB CCc1nn(CC(=O)OC(C)C)c(=O)c2cc3oc(C)cc3n12 12115549 SRESAIJGMSHVJV-UHFFFAOYSA-N 317.345 2.065 0 40 DEAB CCOc1ccccc1OCC(=O)OCC(=O)c1ccc[nH]1 13004779 QNSOITIROJUFTJ-UHFFFAOYSA-N 303.314 2.218 0 40 DEAB O=C(C1CC1)N1CCC[C@@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268219 ZRBJQLMXQIHWOJ-CQSZACIVSA-N 324.384 2.360 0 40 DEAB O=C(O)[C@H](c1ccc(O)cc1)[C@H](C(=O)O)c1ccc(O)cc1 17299719 NIMYOZMXBOTEAX-ZIAGYGMSSA-N 302.282 2.134 0 40 DEAB CN(C)Cc1cc(C2CCN(C(=O)c3ccccc3)CC2)[nH]n1 19708936 QXIGVDZUILCZQQ-UHFFFAOYSA-N 312.417 2.491 0 40 DEAB CCn1c(C)cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)c1C 205682671 OMGQZMZWMIOBRK-KPKJPENVSA-N 322.386 2.334 0 40 DEAB O=C(NCCn1ccnc1C1CC1)c1noc2c1CCCC2 225567330 IQBWATCVJPYMHQ-UHFFFAOYSA-N 300.362 2.057 0 40 DEAB Cc1cc(CCC(=O)N[C@H](Cn2nccn2)C(C)C)ccc1F 244975109 ICBAXBPJWUSSLK-MRXNPFEDSA-N 318.396 2.499 0 40 DEAB Cc1noc(C)c1C(=O)NCc1nc(C2CCSCC2)no1 575609203 YRGWJXMPHCONQO-UHFFFAOYSA-N 322.390 2.215 0 40 DEAB COc1ccc(Cl)c(C(=O)N2CCC3(CC2)CNC(=O)C3)c1 1565554060 QMAZUQKYCLZPRM-UHFFFAOYSA-N 322.792 2.091 0 40 DEAB Cc1csc2ncc(C(=O)NCc3ccc(F)cc3)c(=O)n12 4121105 QEMIGZSAMUWDOT-UHFFFAOYSA-N 317.345 2.134 0 40 DEAB O=C1C=C(NCc2cccs2)C(=O)N1c1ccc(F)cc1 4625266 WAVWRGGYZHSEHK-UHFFFAOYSA-N 302.330 2.434 0 40 DEAB CCCCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC 7457554 DLXZLXRWDZODAI-UHFFFAOYSA-N 315.373 2.079 0 40 DEAB CCOC(=O)CSc1nnc(NC(=O)c2ccco2)s1 4078364 JDSPEXYREOSOEL-UHFFFAOYSA-N 313.360 2.039 0 40 DEAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccccn3)C[C@H]2C[C@@H]1O 2332242724 LSGKMZPWOOACCF-MVJTYMMSSA-N 312.417 2.031 0 40 DEAB O=C(CCn1cncn1)Nc1cccc(OC(F)(F)F)c1 31035452 CGXNHXDLLTZTNN-UHFFFAOYSA-N 300.240 2.206 0 40 DEAB O=C(Nc1nc(CN2CCOCC2)cs1)c1cccs1 40460761 CLJLTECECYYDIB-UHFFFAOYSA-N 309.416 2.289 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-n2cnnn2)cc1 20427102 BZJAUPIUNHMGCC-AWEZNQCLSA-N 321.384 2.413 0 40 DEAB Cc1cccnc1NC(=O)C[C@H](NC(N)=O)c1ccccc1F 40513970 ZXPCCEPKMQFRDV-ZDUSSCGKSA-N 316.336 2.267 0 40 DEAB CCCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 7991000 KOAQLBUXUJQMCQ-AWEZNQCLSA-N 303.337 2.076 0 40 DEAB NC(=O)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 45763152 DPRZGFRKJOKDKU-UHFFFAOYSA-N 308.297 2.088 0 40 DEAB CN(C(=O)Nc1cccc(Cl)c1)C1CCS(=O)(=O)CC1 59916454 VEQZPTAQHYGJHL-UHFFFAOYSA-N 316.810 2.381 0 40 DEAB CC(C)C[C@@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCC(O)CC1 101543207 FALKJTZQJJTFOV-NBOOPKSLSA-N 320.477 2.186 0 40 DEAB O=C(O)CSCC(=O)Nc1ccccc1Br 3223900 TXJDRMMMOZOTEY-UHFFFAOYSA-N 304.165 2.205 0 40 DEAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(c1ncccn1)CC3 32803917 REKLEWKUMMYXCD-UHFFFAOYSA-N 308.341 2.307 0 40 DEAB O=C(O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 2708366 CNNGSOKXZWNOFG-AWEZNQCLSA-N 311.293 2.105 0 40 DEAB NC(=O)c1ccc(N2CCCC2)c(NC(=O)c2cccnc2)c1 22601948 FZDSEIXSRBNIJE-UHFFFAOYSA-N 310.357 2.033 0 40 DEAB COc1cc(NC(=S)NC[C@@H]2CCCN(C)C2)cc(OC)c1 9876264 MEIFMNVYEAYJOR-LBPRGKRZSA-N 323.462 2.332 0 40 DEAB CCn1cnnc1CNC(=O)C1(c2cccc(Cl)c2)CC1 47020502 AEFMICIVDVLSQI-UHFFFAOYSA-N 304.781 2.299 0 40 DEAB Cc1nc(C)c(C(=O)N2CCN(Cc3cccnc3)CC2)s1 54485656 KJGACCLRTRVCHC-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB COC(=O)c1cccc(NC(=O)NCCN2CCCCC2)c1 58007524 XNOCHMLCUMLSKV-UHFFFAOYSA-N 305.378 2.081 0 40 DEAB Cc1ccc(NC(=O)CCn2ccnn2)cc1Br 24776404 OFNBYYUNXRVMOO-UHFFFAOYSA-N 309.167 2.378 0 40 DEAB O=C(c1ccoc1)N1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 110568370 SSOKDKGBOZQUSI-DZKIICNBSA-N 316.401 2.390 0 40 DEAB COc1cc(NC(=S)NC(C)=O)ccc1-c1ccc(CO)o1 20151239 VBHXLVPQONVTDE-UHFFFAOYSA-N 320.370 2.280 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 102303437 WHGLHSHSJOVYAE-WBRVRECLSA-N 303.314 2.101 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N[C@@H](C)COc1ccccc1 56123121 WOLDESUMTUYRAQ-JTQLQIEISA-N 310.375 2.037 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)Cc1ccccc1)C(=O)N(C)C 172285277 DODOYPVPARILEA-ZDUSSCGKSA-N 305.422 2.031 0 40 DEAB O=C(NCc1cn2ccccc2n1)NC[C@@H]1Cc2ccccc2O1 48016303 FLXDQDPOKJWAQV-HNNXBMFYSA-N 322.368 2.137 0 40 DEAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)[nH]n1)c1ccsc1 44909473 IWHYLCYQZQUMJN-CQSZACIVSA-N 304.419 2.381 0 40 DEAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)[C@@H]1CCCO1 27872560 NFFQKIHDHQMFOL-PWSUYJOCSA-N 321.402 2.414 0 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2.410 0 40 DEAB O=C(O[C@@H]1CCS(=O)(=O)C1)c1cc2c(s1)CCCCC2 64003525 FASGSKGSYOATOF-LLVKDONJSA-N 314.428 2.361 0 40 DEAB CC(C)(C)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)(C)C 5292830 SYIWDHMHQCOWMV-UHFFFAOYSA-N 300.296 2.086 0 40 DEAB COCCN(C)CCNC(=O)c1cccc(C(F)(F)F)c1 69584041 YANYEJVYDGLYJL-UHFFFAOYSA-N 304.312 2.013 0 40 DEAB COC(=O)c1cccc(OCC(=O)NCc2ccc(F)cc2)c1 7029481 YISHUNZVZYIOEY-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cn1cccc1[C@H]1CCCN1Cc1cc(=O)n2ccsc2n1 7039349 HEXRRPYNMUYRFC-CQSZACIVSA-N 314.414 2.432 0 40 DEAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1cccc(F)c1 7374971 ZNSGRWNKCWIWQP-UHFFFAOYSA-N 306.268 2.343 0 40 DEAB CON(C)C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 70730032 KULNJSYESVOWNJ-GNFNDJEDSA-N 320.433 2.214 0 40 DEAB CC(=O)Nc1ccc(C(=O)CSc2nnc(N)s2)cc1 7535554 HHDJFAQBSBSZFV-UHFFFAOYSA-N 308.388 2.054 0 40 DEAB CC(=O)Nc1ccccc1OS(=O)(=O)c1c(C)noc1C 16091928 GNUZDTUNGOVYET-UHFFFAOYSA-N 310.331 2.018 0 40 DEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccccn1 8777697 ZRXMHXQZBDCXSC-UHFFFAOYSA-N 308.341 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305.374 2.043 0 40 DEAB O=C(NC1CC1)[C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12 1772595947 UTLXXPFOYOYDRS-RYRKJORJSA-N 312.413 2.357 0 40 DEAB O=C(COC(=O)COc1ccc(F)cc1)NCc1ccccc1 5771198 MUUPENNQGFPHTD-UHFFFAOYSA-N 317.316 2.064 0 40 DEAB CSc1ncc(C(=O)N(C)[C@@H](C)Cc2ccccn2)cn1 12325438 QAVIABQDIOPDEP-NSHDSACASA-N 302.403 2.297 0 40 DEAB O=C(CCN1C(=O)CCC1=O)Nc1ccc(C(F)(F)F)cc1 14183981 SLBTUBMVWWSEID-UHFFFAOYSA-N 314.263 2.183 0 40 DEAB C[C@@H](NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)O)c1ccncc1 17030802 NJMOWNDDTXVXPF-PEYWFCCKSA-N 302.374 2.396 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 169690638 GKDUQVYCDVXQRK-FKGLVLAHSA-N 311.337 2.175 0 40 DEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(C(=O)C3CC3)C2)nn1 1888842911 DWIDCBQQQUURHT-GFCCVEGCSA-N 303.406 2.411 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(c2ncc(F)cn2)CC1 1889079644 NYMQKLNWWMVUOF-UHFFFAOYSA-N 322.775 2.164 0 40 DEAB Cc1ccsc1CNC(=O)c1ccccc1S(C)(=O)=O 26000734 XAEYFUARAUIFNV-UHFFFAOYSA-N 309.412 2.390 0 40 DEAB 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DEAB CC(=O)Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 101601006 VPZWUWQRTGEOKA-OSWLLCPQSA-N 323.348 2.169 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 12196057 PFOXNZFGYNSSNG-LBPRGKRZSA-N 302.330 2.041 0 40 DEAB Cc1ccc(NC(=O)C2CCN(C(=O)C3CCC3)CC2)nc1 46808386 CYCCCZPPGXNBSZ-UHFFFAOYSA-N 301.390 2.367 0 40 DEAB Cc1noc(C)c1CC(=O)NCCN(C)Cc1ccccc1 53349359 GNUGKJXRXFCNDL-UHFFFAOYSA-N 301.390 2.082 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1cc2ccccc2[nH]1 53691090 QOLZGQPRBXIZRB-UHFFFAOYSA-N 305.341 2.183 0 40 DEAB C[C@@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 23296467 PMAMMJHOBLMCTJ-CYBMUJFWSA-N 314.385 2.350 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 100622237 QVINHXWQYJHHQN-FIQHERPVSA-N 310.136 2.436 0 40 DEAB O=C1[C@H]2[C@H](C(=O)N1SC(Cl)(Cl)Cl)[C@H]1CC[C@H]2O1 104205620 HKXYLBOULKWTCY-KVTDHHQDSA-N 316.593 2.125 0 40 DEAB O=C(Oc1ccc2c(c1)OCO2)c1cn(Cc2ccccc2)nn1 24261120 KUTQJDHFHBPPKF-UHFFFAOYSA-N 323.308 2.274 0 40 DEAB NC(=O)c1ccsc1NC(=O)COc1ccc(F)cc1F 24422261 BZQCVXRGWFJIBF-UHFFFAOYSA-N 312.297 2.143 0 40 DEAB CN(C)[C@@H](CNC(=O)Nc1nnc(C2CC2)s1)c1ccco1 43360266 JKOOGOAQOPGJJW-JTQLQIEISA-N 321.406 2.433 0 40 DEAB CCN(CC)[C@H](C)CNC(=O)Nc1ccc(C(=O)OC)cc1 48006671 HSONLJLXMLLHAM-GFCCVEGCSA-N 307.394 2.325 0 40 DEAB CCN1CCN(c2ccc(N[C@H](C)C(=O)OC)c(C)c2)CC1 56170265 BNXXUBFNTBGUHK-CQSZACIVSA-N 305.422 2.110 0 40 DEAB CCCCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 57566829 LYKJBIRTHQWOGR-UHFFFAOYSA-N 316.854 2.446 0 40 DEAB c1cnnc(N2CCC[C@H](NCc3nc4ccccc4o3)C2)c1 69872325 XEGHVJKIIMECLG-ZDUSSCGKSA-N 309.373 2.376 0 40 DEAB COc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cn1 10235328 LPESUUBKLYRKIB-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccc2[nH]nnc2c1 58202833 ZRVRBOIDGMDOFZ-UHFFFAOYSA-N 318.340 2.278 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N(Cc1ccc(F)cc1F)C1CC1 45197553 JMVNSLUHJSZWIX-UHFFFAOYSA-N 304.296 2.458 0 40 DEAB CN1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 48325323 RBEZZTJFXLVALV-UHFFFAOYSA-N 317.393 2.349 0 40 DEAB NC(=O)COC(=O)c1ccc(SCc2cscn2)cc1 12884725 KBVYMCHCMXMVEY-UHFFFAOYSA-N 308.384 2.078 0 40 DEAB Cc1c(C(=O)OCC(=O)N(C2=CCCCC2)C2CC2)cnn1C 28481238 NCRFMWKJPSYRSU-UHFFFAOYSA-N 317.389 2.334 0 40 DEAB COCCOCC(=O)NCCc1ccc(C(F)(F)F)cc1 48653859 CCMYMASQPXPOAM-UHFFFAOYSA-N 305.296 2.027 0 40 DEAB C[C@@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nccs1 69350664 FCYYXKXRWPOTHT-SECBINFHSA-N 310.400 2.038 0 40 DEAB CCNC(=O)CCS(=O)(=O)[C@H](C)c1ccc(Cl)cc1 49477523 GRJZLBPMGZBRFC-SNVBAGLBSA-N 303.811 2.342 0 40 DEAB COC(=O)c1cc(F)c(C)c(NCC(=O)NCC(F)(F)F)c1 69453488 KCOFLOMJNIYRAQ-UHFFFAOYSA-N 322.258 2.011 0 40 DEAB O=C(COC(=O)c1ccc(Cl)cc1O)NCc1ccco1 5101944 VPZXLGHGTCNBBM-UHFFFAOYSA-N 309.705 2.112 0 40 DEAB CCc1nc(CN[C@H]2CCCN(Cc3noc(C)n3)C2)cs1 69619147 UWIYKPVBQZKCGN-LBPRGKRZSA-N 321.450 2.151 0 40 DEAB CC(=O)c1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(F)c1 170855098 QNVCRUAJNVDYNB-QWRGUYRKSA-N 309.337 2.043 0 40 DEAB NC(=O)CCN(C(=O)c1ccc(F)cc1F)c1ccccc1 14020937 OOQSCHHHDHGXGE-UHFFFAOYSA-N 304.296 2.487 0 40 DEAB O=C(c1cn(-c2ccccc2Cl)nn1)N1CCCSCC1 65514664 LBNQQNGIIJQAIF-UHFFFAOYSA-N 322.821 2.500 0 40 DEAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)c1ccc(F)cc1 6476290 YOLLNMYMNOXFBP-INIZCTEOSA-N 316.284 2.392 0 40 DEAB NS(=O)(=O)c1ccc(N2CC=C(c3ccccc3)CC2)nc1 14234248 JRZNDTYDRWGLMR-UHFFFAOYSA-N 315.398 2.023 0 40 DEAB O=c1cc(COc2cccc(-n3cnnn3)c2)c2ccccc2[nH]1 4629788 LOILLZAMNZPJMK-UHFFFAOYSA-N 319.324 2.083 0 40 DEAB CCc1ccc(Cl)c(CC)c1NC(=O)C(=O)N1CCOCC1 80198593 HIPZRIWTNOXTFA-UHFFFAOYSA-N 324.808 2.262 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)Cn1c(C)nc2ccccc21 7200605 SJMQTNILLNBDBH-CQSZACIVSA-N 317.389 2.049 0 40 DEAB CC[C@H](OC(=O)c1ccc(O)cc1)C(=O)Nc1cc(C)on1 9365502 HOCHPGMCOWKYTB-LBPRGKRZSA-N 304.302 2.263 0 40 DEAB CCCCCN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 9317243 SUANYMWOOBBZBO-HNNXBMFYSA-N 317.364 2.466 0 40 DEAB Cc1noc(CCNC(=O)N[C@@H]2CCCOc3ccccc32)n1 71792653 MOIUBMWNILYYLV-CYBMUJFWSA-N 316.361 2.134 0 40 DEAB CC(C)Oc1ccc(NC(=O)N[C@H]2CCCCNC2=O)c(F)c1 71862706 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COC[C@@H](NC(=O)N[C@H]1CCN(C2CCCC2)C1)c1ccco1 76094033 DUXIANNVZZEZLR-DZGCQCFKSA-N 321.421 2.283 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 97147378 GHYGMIZSSIGICJ-FPMFFAJLSA-N 320.437 2.244 0 40 DEAB COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cn(C)c(=O)cc1C 72309973 XIDPWKDXYHWTEA-KGLIPLIRSA-N 312.369 2.445 0 40 DEAB CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccsc3)cc21 76082572 NCCQPLLNHUKSAB-UHFFFAOYSA-N 322.411 2.458 0 40 DEAB CC(C)OC[C@H](O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 84621867 WXMJKIZLHDSHLN-QZTJIDSGSA-N 306.450 2.373 0 40 DEAB CCCNC(=O)NC(=O)CN(C)Cc1ccc(F)cc1Cl 78551767 PQKPCGDSYXFUNL-UHFFFAOYSA-N 315.776 2.147 0 40 DEAB CCCc1nn([C@@H]2CCN(c3ccc(C)cc3)C2=O)c(=O)o1 95416447 UQCFTMVYHFDTBV-CYBMUJFWSA-N 301.346 2.075 0 40 DEAB CNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2F)C1 95993016 ZCSPOLUYUXIBLZ-MRVPVSSYSA-N 316.735 2.216 0 40 DEAB C[C@@](O)(CNC(=O)N[C@H]1CCCSC1)c1ccc(F)cc1 95976233 FIYHCBMPQLPVTM-DZGCQCFKSA-N 312.410 2.228 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(F)c(F)cc1F 89510319 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C[C@H](NC(=O)C1CCC1)c1ccc(OCC(=O)NC2CC2)cc1 46336163 GLWQTCQETZVUID-LBPRGKRZSA-N 316.401 2.321 0 40 DEAB COc1ncccc1NC(=O)C(=O)NCCC1=CCCCC1 44922005 NGFHWCRKZXYAHN-UHFFFAOYSA-N 303.362 2.035 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C 567238063 IDEJAKOVJKUGBC-RFGFWPKPSA-N 319.401 2.491 0 40 DEAB COCc1c(C(=O)NCc2ccccc2)nnn1-c1ccccc1 40179290 QDYNHKMBWSKPSN-UHFFFAOYSA-N 322.368 2.344 0 40 DEAB C[C@H]1C[C@H]1C(=O)N(CCO)Cc1cccc(Br)c1 195580550 NQIPJFVMBNEMBS-GXFFZTMASA-N 312.207 2.426 0 40 DEAB COC1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2)N(C)C)CC1 225459664 NYQMMSFZVPYSGJ-RHSMWYFYSA-N 319.449 2.498 0 40 DEAB CCOC[C@@H](O)CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 195549533 OAHCTCXKPQYQCV-CABCVRRESA-N 317.433 2.448 0 40 DEAB COc1nccc(N(C)C)c1NC(=O)c1cc(C(C)C)nn1C 81851845 VAGSXKHCHBETEC-UHFFFAOYSA-N 317.393 2.265 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44884392 IWGAOMIMCXKELC-MRVPVSSYSA-N 304.799 2.240 0 40 DEAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)C1CCS(=O)CC1 81833307 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CC(C)CN1CCC[C@H]1CN[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96491736 NSXURNQRVXPMTG-XHSDSOJGSA-N 316.511 2.052 0 40 DEAB C[C@@H](NC(=O)c1ccc(O)cc1F)[C@@H](O)Cc1ccccc1 97232615 CTFXDCHSLZZZOF-BZNIZROVSA-N 303.333 2.253 0 40 DEAB c1csc(CN2CCc3ncnc(N4CCCC4)c3CC2)n1 96255441 ZJCYNHQKOMINTG-UHFFFAOYSA-N 315.446 2.134 0 40 DEAB CN(C)c1ccc(NC(=O)NC[C@@](C)(O)c2ccsc2)cn1 96420115 KIIVACQERFJZHI-OAHLLOKOSA-N 320.418 2.238 0 40 DEAB CCn1nccc1-c1cc(C[C@@H]2CCCN(C(C)=O)C2)ncn1 257241536 HYJJHJNBEWHSGW-AWEZNQCLSA-N 313.405 2.161 0 40 DEAB CN(C)c1cnc(C[C@@H]2CCCN(c3cnccn3)CC2)cn1 257342454 ZORFZOOKVXSENI-CQSZACIVSA-N 312.421 2.182 0 40 DEAB OCCOc1cccc(CN2CCC(c3cnccn3)CC2)c1 257301339 RYAQXQSMXLLFFH-UHFFFAOYSA-N 313.401 2.227 0 40 DEAB O=C(c1cscn1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257310461 UFDICCFQXHQELQ-NSHDSACASA-N 313.386 2.434 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1Cc2cncnc2C1 96025511 IGBGAYYFUMGZLZ-UHFFFAOYSA-N 309.778 2.143 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)N1CC(OCC(F)(F)F)C1 390830894 ODQCGDHGAICEIY-VOTSOKGWSA-N 321.320 2.250 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)C1 57216992 BJPCTBXNVRIAQC-ZDUSSCGKSA-N 318.392 2.361 0 40 DEAB CC(C)(CNc1ncccc1S(C)(=O)=O)c1ccncc1 1548453368 NEXKWNBCNGDSHW-UHFFFAOYSA-N 305.403 2.270 0 40 DEAB CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)c1cccs1 71606654 VPSIAOXMGUQILU-GFCCVEGCSA-N 313.419 2.426 0 40 DEAB CCc1c(C)nc2ncnn2c1Nc1cnn(C)c1C(F)F 893002748 BULQQQCOUKERKL-UHFFFAOYSA-N 307.308 2.410 0 40 DEAB COCc1nc2n(n1)C[C@H](N[C@H]1CCCc3sccc31)CC2 90394192 OOARXHPVXQGOAA-YPMHNXCESA-N 318.446 2.468 0 40 DEAB CC[C@H](CSC)NC(=O)N1CCN(Cc2ccccn2)CC1 97096594 GAHFKINHBYMKNH-CQSZACIVSA-N 322.478 2.050 0 40 DEAB Cc1cccc(OC2CCN(Cc3cnn(C)c3C)CC2)n1 97238688 PHHLUQQSAFDTJV-UHFFFAOYSA-N 300.406 2.475 0 40 DEAB CC(=O)N1CCC(c2nc3ccc(F)cc3cc2C(N)=O)CC1 12219422 CGFWHOCYDPBGNF-UHFFFAOYSA-N 315.348 2.199 0 40 DEAB Cn1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)c2cccnc21 13265399 YLYQGLVOEDPFBA-CYBMUJFWSA-N 321.384 2.383 0 40 DEAB Cc1nc2n(n1)[C@H](C(=O)Nc1ccc3ccccc3c1)CC(=O)N2 14164331 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Cc1cc(C(F)F)nn1CC(=O)Nc1nnc(C2CC2)s1 2781359 OGHWCSHKBNGLBO-UHFFFAOYSA-N 313.333 2.497 0 40 DEAB O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cccs1 2788854 NWAJMIPHMOQABU-UHFFFAOYSA-N 311.310 2.308 0 40 DEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(F)c(F)c1F 101723008 MPQGXTCZMUEHLO-SSDOTTSWSA-N 311.259 2.297 0 40 DEAB O=C(c1csnn1)N1CCN(c2cccc(Cl)c2)CC1 11914935 JLXYZHQPJKSCRS-UHFFFAOYSA-N 308.794 2.154 0 40 DEAB CCC(CC)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 6110913 VABXQQYXOGFUEK-UHFFFAOYSA-N 307.419 2.380 0 40 DEAB COc1ccc(CN(C)C(=O)[C@H]2COc3ccccc3O2)cc1 6268109 GLPWRKQUPJIQPI-QGZVFWFLSA-N 313.353 2.494 0 40 DEAB CCOC(=O)N(C)CC(=O)Nc1cccc(NC(=O)C(C)C)c1 52565952 CTHBVGYVSZGEEP-UHFFFAOYSA-N 321.377 2.308 0 40 DEAB CC(C)(C)c1nc(CN2CCN(Cc3cnc[nH]3)CC2)cs1 91949784 RPIPKEBRPQWUHG-UHFFFAOYSA-N 319.478 2.482 0 40 DEAB CC(C)Nc1cccc(CNC(=O)NCc2nccn2C)c1 89887735 IULNGMDQTWYEOG-UHFFFAOYSA-N 301.394 2.240 0 40 DEAB Cc1c(Br)cnn1CC(=O)N1CCC(C)CC1 2781378 LMAVAVFEWHGGSI-UHFFFAOYSA-N 300.200 2.213 0 40 DEAB CC(C)CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1CC(=O)O 9870124 JODHQTBTAIUZBT-LBPRGKRZSA-N 306.387 2.119 0 40 DEAB COc1ccccc1NC(=O)Cc1noc(-c2cccnc2)n1 69413900 ZQBMSLOWDGOAAT-UHFFFAOYSA-N 310.313 2.321 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1cnc(Cc2ccc(F)cc2)s1 69455993 CSAAWHHCXVQCIR-VIFPVBQESA-N 322.361 2.164 0 40 DEAB CCNC(=O)Nc1cccc(F)c1C(=O)Nc1cnn(CC)c1 69454372 HDWNWXPPOOYSPZ-UHFFFAOYSA-N 319.340 2.436 0 40 DEAB O=C(NC[C@H](O)c1ccco1)Nc1cnn(-c2ccccc2)c1 76021563 XDHGGFROCXKSBR-AWEZNQCLSA-N 312.329 2.320 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1 47398578 XEHRJGKIIPESTB-SNVBAGLBSA-N 312.316 2.316 0 40 DEAB CCCC(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12 107987280 AMNSLEJLBPUOSP-UHFFFAOYSA-N 314.385 2.483 0 40 DEAB CCCc1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)no1 54990578 QKCXGUKTYDOVBY-AWEZNQCLSA-N 314.389 2.085 0 40 DEAB NC(=O)C1CCN(Cc2nc3ccccc3n2C(F)F)CC1 55102257 DZDIYKDAVUGZDH-UHFFFAOYSA-N 308.332 2.129 0 40 DEAB COC(=O)[C@H](C)Sc1nnc(Cc2ccc(OC)cc2)o1 24786442 GJBKLHZLLMJPDI-VIFPVBQESA-N 308.359 2.323 0 40 DEAB Cn1c(S)nnc1C1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 106869695 KZDYPDPIMVQMAT-DRZSPHRISA-N 320.462 2.246 0 40 DEAB Cc1cc(Cl)ccc1OCCCNC(=O)[C@H](C)n1cncn1 57002258 FRCDAQVOVCXQDA-LBPRGKRZSA-N 322.796 2.386 0 40 DEAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC(C)(C)C(N)=O)c1 57050884 VCPSGGAOOUXTMM-LBPRGKRZSA-N 306.406 2.266 0 40 DEAB O=C(Nc1nncs1)C1(c2cccc(F)c2)CCOCC1 57225774 UOVULMIDLFOGMD-UHFFFAOYSA-N 307.350 2.364 0 40 DEAB COc1ccc2sc(NCCCN3CCOCC3)nc2c1 26424086 XOFJFUPGKWBRAZ-UHFFFAOYSA-N 307.419 2.439 0 40 DEAB CC(C)NC(=O)N1CCC(C(=O)NC(C2CC2)C2CC2)CC1 47990969 WGMFSNKTOQZADQ-UHFFFAOYSA-N 307.438 2.121 0 40 DEAB CC(C)Oc1ncccc1NC(=O)NC[C@@H]1CCCN(C)C1 108504782 MCPZVHWITQXAMK-ZDUSSCGKSA-N 306.410 2.332 0 40 DEAB CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)Nc2ncnn21 1936669 WOUBRMRKDYJZEI-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)COc1ccc(Cl)cc1 58063504 NVLORQAYWGQLJO-GHMZBOCLSA-N 312.797 2.138 0 40 DEAB CCC(=O)N[C@@H](CCSC)C(=O)Nc1ccc2c(c1)CCO2 58298435 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O=C(Cc1cn2ccsc2n1)Nc1cc(-c2ccncc2)n[nH]1 69562493 SHQBMHMQVOHMKK-UHFFFAOYSA-N 324.369 2.362 0 40 DEAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 3886873 KTQWWYGLWQVHDM-CQSZACIVSA-N 319.382 2.325 0 40 DEAB in-vitro CCC(=O)N[C@H](CCSC)C(=O)NCc1sccc1C 49248102 HQBRJIHRHVCPDO-LLVKDONJSA-N 314.476 2.321 0 40 DEAB O=C(CCC1CCCCC1)N1CCN(Cc2cnc[nH]2)CC1 92162311 JIXPPPWMKSWCQF-UHFFFAOYSA-N 304.438 2.414 0 40 DEAB CCCCOCCCNCc1ccc2c(c1)n(C)c(=O)n2C 13719922 JFVKVYSCHPIVOQ-UHFFFAOYSA-N 305.422 2.173 0 40 DEAB CC[C@H](CNC(=O)CN1CCn2ccnc2C1)c1ccccc1 65496487 DYBDJNGGPPKRJM-OAHLLOKOSA-N 312.417 2.009 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)c2cnc3[nH]nc(C)c3c2)C1 65476259 OJWXILQYLXHSII-CYBMUJFWSA-N 302.378 2.298 0 40 DEAB C[C@H](CCc1ccccc1)CC(=O)NCCN1CCN(C)CC1 65592971 OURGTTXMARCXLO-QGZVFWFLSA-N 317.477 2.009 0 40 DEAB CCCc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)O)sc1C 14162484 QEIGJLGSDNJPPS-SNVBAGLBSA-N 313.375 2.057 0 40 DEAB CC[C@H]1CCCCN1C[C@H](O)COc1cccc(C(=O)OC)c1 6552529 OXFUKHSHXROZHB-HOTGVXAUSA-N 321.417 2.477 0 40 DEAB COC(=O)C1=C(CCl)N(C)C(=O)N(C)[C@@H]1c1ccccc1 24926887 RZQBXGBWWZTRJL-CYBMUJFWSA-N 308.765 2.391 0 40 DEAB O[C@H]1Cc2ccccc2[C@H]1Nc1ncc(Br)cn1 67369282 APFXCEXAUCDYLR-NWDGAFQWSA-N 306.163 2.309 0 40 DEAB Cc1ccc(OCCNC(=O)COc2cc(C)on2)c(C)c1 8988063 PGRMNHDBUJURKN-UHFFFAOYSA-N 304.346 2.174 0 40 DEAB O=C(COC(=O)Cc1ccsc1)NCc1ccccc1F 7953520 QXRLTVBDEJSJHZ-UHFFFAOYSA-N 307.346 2.289 0 40 DEAB Cc1cccn2c(=O)cc(CN3CCO[C@H]4CCCC[C@@H]43)nc12 71828210 VQIWMSUGLNAIKD-HOTGVXAUSA-N 313.401 2.146 0 40 DEAB CC[C@H](C)[C@@H](C)N(CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CC1 71897097 ICGBJBIDVMDCSL-LZWOXQAQSA-N 323.481 2.013 0 40 DEAB O=C(NC1CCSCC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 71882743 VAMHDMYWIKLAPC-LLVKDONJSA-N 322.405 2.190 0 40 DEAB Cc1c(C(=O)N2CCN(C[C@H](C)O)CC2)sc2ccsc12 71871235 SHTYZJALABBWET-JTQLQIEISA-N 324.471 2.410 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 28210336 LTMUHHKQCMUWBK-UHFFFAOYSA-N 322.324 2.134 0 40 DEAB CO[C@@](C)(C(=O)N[C@@H]1CCc2nc(C)cn2C1)c1ccccc1 72270304 UXERZMUAPGYKKF-CRAIPNDOSA-N 313.401 2.184 0 40 DEAB CCCCCS(=O)(=O)N[C@@H]1CCCn2nc(C(C)C)nc21 97115528 MFDROMQGBACGGX-GFCCVEGCSA-N 314.455 2.346 0 40 DEAB COc1ccc(-c2n[nH]cc2C(=O)OCc2nccn2C)cc1 97380182 MBPYVCRWBYILHC-UHFFFAOYSA-N 312.329 2.176 0 40 DEAB CC(C)(C(=O)NCCC(=O)O)c1cccc(Br)c1 95424248 YDNMWCPPKIFDGD-UHFFFAOYSA-N 314.179 2.318 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccccc1F 95458944 JCDQLGYXAARKPA-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CC[C@H](c3ccccc3)[C@@H](C)C2)C1 79464452 BBFPQCGIBKPOHV-FUJDEKNSSA-N 317.429 2.425 0 40 DEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)c2ccoc2)c1 95986332 GINUJSJTGOJWTD-UHFFFAOYSA-N 310.313 2.125 0 40 DEAB COc1ccc([C@H](C)N(C)C(=O)c2ccn(C)c(=O)c2)cc1 95948434 FJEHOXKIAXBPLC-LBPRGKRZSA-N 300.358 2.227 0 40 DEAB CC[C@](C)(CC(=O)O)NC(=O)c1ccc(Br)o1 95970232 DATMFTIOOKZGFP-LLVKDONJSA-N 304.140 2.415 0 40 DEAB Cc1csc(C(C)(C)NC(=O)N[C@H](C)c2cnn(C)c2)n1 74473415 JLBGDRPKNLCQFR-SNVBAGLBSA-N 307.423 2.481 0 40 DEAB CCOc1ccc(/C=C/C(=O)N[C@H](C)C(=O)O)cc1OCC 33452421 OXPXUQNMNXSQIX-MXMFLMJRSA-N 307.346 2.087 0 40 DEAB CC(C)N(CC(=O)O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79392397 QRYSZFVRHDBGOQ-LBPRGKRZSA-N 300.399 2.181 0 40 DEAB COC(=O)c1cc(I)ccc1N(C)C 39951608 AFXGJAMDJQFUJL-UHFFFAOYSA-N 305.115 2.144 0 40 DEAB CCCNc1ncc(CN[C@@H](Cc2ccccc2)C(=O)O)cn1 218759272 QEHVKFIUVAAPAB-HNNXBMFYSA-N 314.389 2.084 0 40 DEAB COc1ccccc1CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 32073630 UAQWALCQWGCZJR-UHFFFAOYSA-N 323.352 2.431 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 32744867 WUZUCOWLDUAZKC-YWPYICTPSA-N 314.385 2.366 0 40 DEAB CCO[C@@H](C)c1noc(CN2CCN(CC3CCCC3)CC2)n1 75916083 VTRRNHDHXZVPDN-AWEZNQCLSA-N 322.453 2.475 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(CO)cs2)c1 521394220 AVYQUAGSENTFGC-SNVBAGLBSA-N 320.370 2.244 0 40 DEAB CCCN1CCN(Cc2nc(-c3cccc(OC)c3)no2)CC1 61781975 MDIKXHLFWCMRRJ-UHFFFAOYSA-N 316.405 2.273 0 40 DEAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1ccc(Cl)cc1Cl 42645999 QVKKGWZTESZBGS-VIFPVBQESA-N 317.172 2.227 0 40 DEAB CN(c1cc(C(=O)NC(C)(C)C)ccc1Cl)S(C)(=O)=O 225972524 USGPIBLPROABHZ-UHFFFAOYSA-N 318.826 2.264 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675710 LLXDHEDUDHTVON-SECBINFHSA-N 314.432 2.067 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(NC(=O)C(C)C)c2)C1 45953915 UEFOBKNMBJDJGP-GFCCVEGCSA-N 318.373 2.197 0 40 DEAB Cc1ccc(C(=O)N(C)C2CCCC2)cc1NS(C)(=O)=O 44336828 FRFXPVRSRMIGRY-UHFFFAOYSA-N 310.419 2.381 0 40 DEAB COc1nccnc1O[C@@H]1CCCN(C(=O)c2ccsc2)C1 225494035 UWEAPIFAEIGUIP-GFCCVEGCSA-N 319.386 2.230 0 40 DEAB COc1cc(OC)cc([C@H]2CCN(Cc3nnc(C)o3)C2)c1 83403110 MAOULTOGBWJBDI-LBPRGKRZSA-N 303.362 2.385 0 40 DEAB CCOC[C@H]1CN(C(=O)c2occc2C)Cc2ccnn2C1 96188938 ICVXORSFHCHCQB-ZDUSSCGKSA-N 303.362 2.093 0 40 DEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1ccc[nH]1 96486847 UNLMRFNYZUDGRF-UHFFFAOYSA-N 314.311 2.249 0 40 DEAB COc1ccccc1NCC(=O)N(C[C@@H]1CCOC1)C1CC1 96405894 IMYBDBGUAXCIHK-ZDUSSCGKSA-N 304.390 2.135 0 40 DEAB CN(Cc1nc2c(s1)CCCC2)c1cnn(C)c(=O)c1Cl 96447498 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CMDABCRCQZPXNI-LLVKDONJSA-N 304.312 2.479 0 40 DEAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc2ccccc2o1 96041950 UOGPRHJXCWIUDX-DUVNUKRYSA-N 301.342 2.451 0 40 DEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(CC3CCCC3)[C@@H]2C1 96080467 IDKGSBSNWBEEJM-DOTOQJQBSA-N 320.458 2.182 0 40 DEAB Cc1cc(CC[C@H]2CN(Cc3csc(C)n3)CCO2)ncn1 257342867 ZQKUZGTUYKGGDT-INIZCTEOSA-N 318.446 2.384 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H](Cc2ccn[nH]2)C1 257292302 QKWPSNYHOSRAPG-GFCCVEGCSA-N 309.373 2.381 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](Cc2ccn[nH]2)C1 257252593 JVHWCFWZCJSURC-LBPRGKRZSA-N 313.357 2.233 0 40 DEAB CN(CCn1cccn1)[C@@H](C(=O)O)c1c(F)cccc1Cl 565106348 XTLMSAKKTJSPQO-CYBMUJFWSA-N 311.744 2.433 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575405241 XOSBXQHZMRDLNF-WOPDTQHZSA-N 322.405 2.342 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)cnc21 48290949 XOKSNQWLGHECNE-TXEJJXNPSA-N 302.378 2.262 0 40 DEAB O=C(NCc1ccccc1)N1CCCN([C@@H]2CCSC2)CC1 1565522079 BBRBULFJGJDARX-MRXNPFEDSA-N 319.474 2.409 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)CCN1C(=O)c2ccccc2C1=O 141662 IZVZFYJEVTWHHM-IUODEOHRSA-N 314.385 2.368 0 40 DEAB Cc1cc(Br)c(=O)n2c1C(=O)NC21CCCCC1 1537810979 VYTTWWANZUYOKU-UHFFFAOYSA-N 311.179 2.280 0 40 DEAB CCCNC(=O)NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 6065111 PFIRJOQQNAVTRL-VMPITWQZSA-N 324.764 2.132 0 40 DEAB Cn1ncc2c1CCc1sc(NC(=O)c3ccccn3)nc1-2 19289620 AEXWCQJAWCKSRV-UHFFFAOYSA-N 311.370 2.290 0 40 DEAB Cc1c(CN2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cnn1C 19746710 OGCJNGYKRXIVSZ-GOSISDBHSA-N 318.465 2.389 0 40 DEAB O[C@@]12C[C@@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]41)C(Br)(Br)[C@H]2[C@H]35 169795847 OOJNESNZJVMXNF-RDRUWLKNSA-N 320.024 2.365 0 40 DEAB CNC(=O)CCc1cc(C)nc([C@H]2CCCCN2C(C)C)n1 607853107 RQQNJCQJXKCMJE-OAHLLOKOSA-N 304.438 2.399 0 40 DEAB O=C(NCC(F)(F)F)c1ccnc(O[C@@H]2CCSC2)c1 225722931 DLQWUXVOTYXPPY-SECBINFHSA-N 306.309 2.258 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cn(C)cn3)C2)c1 643914655 UZVPIQHNRVOUJA-GOSISDBHSA-N 315.417 2.134 0 40 DEAB COc1ccccc1CNC(=O)C(=O)Nc1ccc(C)c(F)c1 5251216 JSPFBAGUFLOQKL-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccsc1 38630209 AJJUBCVHYZGAOS-CYBMUJFWSA-N 306.387 2.144 0 40 DEAB O=C(NCc1cncc(-c2ccoc2)c1)NC[C@H]1CCCO1 575619325 DDUNRQUFDARHLF-OAHLLOKOSA-N 301.346 2.320 0 40 DEAB CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCCCNC1=O 40092255 FQOVWNCJHSFYQT-CQSZACIVSA-N 318.417 2.148 0 40 DEAB COc1cc2c(cc1CN[C@@H](C)Cn1cccn1)O[C@H](C)C2 30904459 VOIANIOZHFSWHI-QWHCGFSZSA-N 301.390 2.393 0 40 DEAB CNC[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 40594162 WGMOFTLRRNTIFR-JTQLQIEISA-N 301.312 2.172 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 70039662 CPBPGFQMECHRJC-ZDUSSCGKSA-N 302.378 2.355 0 40 DEAB COc1ccc(CC(=O)NCCNC(=O)CC2CCCC2)cc1 69349548 JADZIALLNUMDCN-UHFFFAOYSA-N 318.417 2.050 0 40 DEAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)NCc1ccccc1 32124226 XERBEAIXLCONTD-HNNXBMFYSA-N 323.352 2.093 0 40 DEAB biogenic O=C(c1ccc[nH]c1=O)N1CC=C(c2c[nH]c3ncccc23)CC1 32795926 HDYYWHOKWMIAPN-UHFFFAOYSA-N 320.352 2.181 0 40 DEAB COc1ccc(-c2nnc3sc(NC(=O)C(C)C)nn23)cc1 6818181 HFTZVQTWFDTSOY-UHFFFAOYSA-N 317.374 2.456 0 40 DEAB CC(C)c1nn(-c2ccccc2)cc1CNC[C@@H](O)CN(C)C 69737775 KXIAEGPXMPARAW-QGZVFWFLSA-N 316.449 2.008 0 40 DEAB O=C(NCc1cccs1)c1cn(-c2ccc(F)cc2)nn1 57511452 TVWDOKFTGPXCNI-UHFFFAOYSA-N 302.334 2.398 0 40 DEAB COc1ccc(C(=O)NCc2cn3cc(Cl)ccc3n2)cn1 32902301 HHRDKUNIEGQHGC-UHFFFAOYSA-N 316.748 2.321 0 40 DEAB O=S(=O)(NCCCNC1CCCCC1)c1ccccc1F 2631264 ICULMLQXRVPFBU-UHFFFAOYSA-N 314.426 2.416 0 40 DEAB CN1CC[C@@H](C(=O)n2cccc/c2=N\C2CCCCC2)CC1=O 102955761 PGNGERAXJDUBJJ-RKDSPFTASA-N 315.417 2.230 0 40 DEAB O=C(CCn1cccn1)NC[C@H](c1ccco1)N1CCCCC1 42476454 OHJXBCWQNQMSTF-OAHLLOKOSA-N 316.405 2.210 0 40 DEAB C[C@](O)(CNC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F 89901183 JQXDJPGMLWGBIW-VIFPVBQESA-N 317.094 2.432 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@H](c2cccs2)N(C)C)no1 43143799 UEOWKHFPSHSSJR-CYBMUJFWSA-N 322.434 2.489 0 40 DEAB Cn1c(C(=O)NCc2nnc3ccccn23)cc2ccccc21 55207739 UOJASHSKUBIVAY-UHFFFAOYSA-N 305.341 2.151 0 40 DEAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2c(c1)CCCC2 106577552 RXEGXUDJHCMGIV-ROUUACIJSA-N 314.429 2.158 0 40 DEAB NC(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 106640595 SGEXYYLACPGUDX-RRFJBIMHSA-N 304.365 2.186 0 40 DEAB CC(=O)Nc1cccc(C(=O)N[C@H]2CCN3CCCC[C@H]23)c1 47226767 AFEYZNKQSFRSFQ-JKSUJKDBSA-N 301.390 2.002 0 40 DEAB CCCCC[C@H]1C[C@@](C)(C(=O)CNc2nncs2)OC1=O 1898712 LLAOUEGETGJRFK-HZMBPMFUSA-N 311.407 2.421 0 40 DEAB C[C@H](OC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 27074430 CPYDZBCGPDRYJN-NSHDSACASA-N 321.373 2.308 0 40 DEAB Cn1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 12507861 ANODJRLTRDTGKV-UHFFFAOYSA-N 305.281 2.240 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CN2C[C@H](C)OC[C@@H]2C)c(C)c1 27643550 RRHWYPLOTTVQFJ-KBPBESRZSA-N 319.405 2.061 0 40 DEAB Cc1ccc(C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(O)c1 58420783 XUTSUPUFSMFXPJ-UHFFFAOYSA-N 311.341 2.143 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@H](C)C2)cc1 26781666 GESMYNQNRCGSED-XJKSGUPXSA-N 306.406 2.117 0 40 DEAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc[nH]c1=O 45580108 ATEXYUXTGMGBCB-UHFFFAOYSA-N 304.321 2.185 0 40 DEAB O=C(NCC1CCC1)[C@@H](Cc1ccccc1)N1CCCOC1=O 69459056 ZNWDWXQLGUGSMG-MRXNPFEDSA-N 316.401 2.356 0 40 DEAB Cc1ccccc1CN(C)C(=O)c1ccc(CNC(N)=O)cc1 48290010 AEVMDWXPUOIELG-UHFFFAOYSA-N 311.385 2.436 0 40 DEAB COc1cccc(-c2noc(CN3CCN(C(C)C)CC3)n2)c1 48290059 LHYKHRSNECHRHM-UHFFFAOYSA-N 316.405 2.271 0 40 DEAB CC(C)(C)C1=N/C(=C/c2cnc(N3CCCC3)nc2)C(=O)O1 48345124 AJVTWMPLGXHEAH-XYOKQWHBSA-N 300.362 2.419 0 40 DEAB CC(C)(C)c1ncc(CNCC2CCN(CCO)CC2)s1 69415658 YPNRWHRRXHITJY-UHFFFAOYSA-N 311.495 2.235 0 40 DEAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)NCC(F)(F)F)cc1 8429347 UUCLWFVJJHKPJV-QMMMGPOBSA-N 304.268 2.091 0 40 DEAB O=C1N(CC2CC2)C[C@@]2(F)CN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)C[C@@]12F 306135955 PFDVGJLAOJWWHE-CFVWQIKISA-N 322.399 2.183 0 40 DEAB CCCCNC1=NN=C(c2ccc3c(c2)NC(=O)CO3)CS1 13007076 JSBPXFXIUNZTMN-UHFFFAOYSA-N 318.402 2.214 0 40 DEAB Cc1cccc(-c2[nH]ncc2CN[C@@H]2CCc3ncnn3C2)c1 69976202 ORCBIPLIKSHRLS-OAHLLOKOSA-N 308.389 2.081 0 40 DEAB C[C@@H](Cn1ccnc1)NS(=O)(=O)c1ccc(F)c(Cl)c1 65410800 AJWPQUJQYQAVOE-VIFPVBQESA-N 317.773 2.043 0 40 DEAB C[C@H]1C[C@H]1CNC(=O)N1CCC(c2nnc3ccccn23)CC1 65412490 IBUHVCGNXVDRNX-JSGCOSHPSA-N 313.405 2.274 0 40 DEAB COC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 6405729 MVIGNKSEJIVOAA-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3cccnc3)n2)c1 5450805 CPSGGKPQUXFNCB-UHFFFAOYSA-N 306.325 2.188 0 40 DEAB COc1ccccc1C(=O)OCC(=O)NCc1cccc(C)c1 67197771 VTOWWMULKDHWHT-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CC(C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 71185129 SICIYIMWRKDNFK-UHFFFAOYSA-N 324.446 2.133 0 40 DEAB CN(CC(N)=O)Cc1cn(-c2ccccc2)nc1-c1ccccc1 7796887 KETZTYCRRNJFGE-UHFFFAOYSA-N 320.396 2.456 0 40 DEAB O[C@@H](CNCc1nc(C2CC2)no1)COc1ccc(Cl)cc1 69153709 VCFCRYGKYYFUJA-LBPRGKRZSA-N 323.780 2.130 0 40 DEAB CCN1CCN(Cc2c(C)nc3ccc(OC)cc3c2O)CC1 19528209 ZDYZJDRBGCYHTM-UHFFFAOYSA-N 315.417 2.395 0 40 DEAB CS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc3ccccc3c2)C1 96364960 NIUHACOLMDCGHP-OAHLLOKOSA-N 303.383 2.099 0 40 DEAB CSc1ccc(O[C@@H](C)C(=O)N2CCc3[nH]ncc3C2)cc1 96419239 VQKZXCHBJFVFHF-NSHDSACASA-N 317.414 2.484 0 40 DEAB CCCN1CCC(NC(=O)NCc2ccnc(OCC)c2)CC1 71885920 OYIMJPIHSQSTHH-UHFFFAOYSA-N 320.437 2.154 0 40 DEAB CC(C)CC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 71896816 VRVFBJPVOQULDQ-QGZVFWFLSA-N 304.434 2.092 0 40 DEAB c1csc(N2CCCN(Cc3nc(C4CC4)no3)CC2)n1 71830494 PVVDLDWLSSUTEA-UHFFFAOYSA-N 305.407 2.116 0 40 DEAB COc1cc(Cl)ccc1C(=O)N1CCC[C@@H](n2cncn2)C1 71847031 ULKIQCPTLTXOFX-GFCCVEGCSA-N 320.780 2.417 0 40 DEAB C[C@@]1(C(=O)NCc2n[nH]c(=S)n2C2CC2)CC1(Cl)Cl 71889184 BBRKYNDWQDCRPU-JTQLQIEISA-N 321.233 2.476 0 40 DEAB Cc1cc2c(Nc3ccc(S(N)(=O)=O)cc3)ncnc2s1 19948638 MHWGNMSYYSZMEV-UHFFFAOYSA-N 320.399 2.391 0 40 DEAB OCC1CCN(c2ccccc2NCc2csnn2)CC1 97048889 TUBINSYISTUDSV-UHFFFAOYSA-N 304.419 2.359 0 40 DEAB Cc1cc(NC(=O)N2CCO[C@H](Cc3ccccc3)C2)nn1C 97035175 JIAKUUSXLDNQGY-OAHLLOKOSA-N 314.389 2.204 0 40 DEAB Cc1cc(NCc2cnn(Cc3ccccc3)c2)n2ncnc2n1 97159060 FCWHFASEFPXRKE-UHFFFAOYSA-N 319.372 2.290 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cccnc2)cc1 97113232 WCIONGVDUVFGGH-AWEZNQCLSA-N 304.415 2.342 0 40 DEAB COC[C@@](C)(NC(=O)c1cnc2ccccc2n1)C(F)(F)F 72303352 PCQBNZCFHOTIBJ-CYBMUJFWSA-N 313.279 2.327 0 40 DEAB O=C(NCc1ccccc1OC1CCC1)N(CCO)C1CC1 95398629 WMLIXXDKWFLOKF-UHFFFAOYSA-N 304.390 2.284 0 40 DEAB COc1ccc(C(=O)N2c3ccccc3N(C)CC[C@H]2C)nn1 84700038 VQVHWZFRYMLFCZ-GFCCVEGCSA-N 312.373 2.360 0 40 DEAB C[C@@](O)(CNS(=O)(=O)c1ccccc1F)c1ccsc1 95433177 XFHGIHICOUDQHL-CYBMUJFWSA-N 315.391 2.073 0 40 DEAB CCCN(C)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C(=O)NC)cc1 95451878 PMGKOIPPVLSHRU-HOTGVXAUSA-N 317.433 2.177 0 40 DEAB CCS[C@@H]1CC[C@@H](NC(=O)NC[C@](C)(O)c2ccco2)C1 84811849 SYXYDUXRMLSOIH-JMSVASOKSA-N 312.435 2.461 0 40 DEAB CC[C@H](NC(=O)[C@H](C)Sc1ccccn1)c1nc(C)n[nH]1 84979180 YZTMJAGNFWNLPC-ONGXEEELSA-N 305.407 2.256 0 40 DEAB Cc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 85698558 RVIXBDHYSKFKHV-UHFFFAOYSA-N 304.327 2.230 0 40 DEAB Cc1ccccc1CS(=O)(=O)N[C@@H](CO)Cc1ccccc1 74605078 KEBCVNCYKZCDOP-QGZVFWFLSA-N 319.426 2.018 0 40 DEAB CCS[C@H]1CC[C@@]1(O)CNC(=O)Cc1noc2ccccc12 75093468 ZOZBWKLWFPGIBZ-GOEBONIOSA-N 320.414 2.133 0 40 DEAB COc1cc(/C=C/C(=O)/N=c2\sccn2C)cc(OC)c1 29763053 KHIGJCJQDRXKSJ-WIAZQKHKSA-N 304.371 2.245 0 40 DEAB O=C(CNC(=O)c1ccccc1)Nc1cccc(-c2cc[nH]n2)c1 38678597 CUTMTLGSQUICLV-UHFFFAOYSA-N 320.352 2.445 0 40 DEAB CO[C@@H]1CCC[C@H](CC(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530080711 UDKOVJFBHVWGGG-GUTXKFCHSA-N 319.405 2.441 0 40 DEAB Cc1ccsc1CNC(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270712 WTTKOMRMUJINCJ-ZDUSSCGKSA-N 318.446 2.275 0 40 DEAB OC1CCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 72338597 QCNDAUIUDKBFKY-UHFFFAOYSA-N 323.356 2.155 0 40 DEAB C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@H](O)C1 72885094 KJLWTOGXPYDZDQ-ZBFHGGJFSA-N 302.418 2.201 0 40 DEAB CCc1cc(C(=O)NCc2cn(C)nc2C)c2c(C)noc2n1 36621684 HFZXVZSJNIHREB-UHFFFAOYSA-N 313.361 2.066 0 40 DEAB CC[C@@H]1OCCC[C@@H]1C(=O)N1CC(=O)N(C)c2ccccc21 559252397 RYXDZEJKSZKQQP-WFASDCNBSA-N 302.374 2.201 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n(C)n1 78606162 LVKKOQWNHROUFH-NSHDSACASA-N 324.450 2.005 0 40 DEAB OCCN(CCc1ccccc1)c1ncc(Br)cn1 78428535 NQAWZTCHYLBEQX-UHFFFAOYSA-N 322.206 2.281 0 40 DEAB Cc1ccc(CN(C(=O)CN2CCCC[C@@H]2CCO)C2CC2)o1 78922911 XSVSUXXWYYJXRZ-OAHLLOKOSA-N 320.433 2.316 0 40 DEAB CC(=O)N1CCC(N2CC[C@H](c3nnc(C(C)(C)C)o3)C2)CC1 49170692 FQTZIMYWSAWHAW-ZDUSSCGKSA-N 320.437 2.167 0 40 DEAB biogenic,in-vitro CCCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225675586 AMIJTWJYICOHJA-UHFFFAOYSA-N 314.432 2.069 0 40 DEAB C[C@H]1CN(c2cccc(F)c2)CCN1c1ccc(C(=O)O)nn1 567978914 WXEKYTHBUGAHPZ-NSHDSACASA-N 316.336 2.029 0 40 DEAB O=C1CC[C@@H](C(=O)OCc2cc3ccccc3nc2Cl)CN1 61469982 PVIXBASFYNFBKF-LLVKDONJSA-N 318.760 2.458 0 40 DEAB CC1(C)CN(CC2(C(=O)O)CC2)C[C@H](COc2ccccc2)O1 568290907 VGXZGWQIBSFUJK-OAHLLOKOSA-N 319.401 2.410 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1)C(=O)Nc1ccc(F)cc1 47465947 UQUKQOJVHPCJKH-GFCCVEGCSA-N 316.332 2.348 0 40 DEAB O=C(N[C@@H]([C@@H]1CCNC1)C(F)(F)F)OCc1ccccc1 228905593 GKSGKNQRGRVJFB-NEPJUHHUSA-N 302.296 2.453 0 40 DEAB O=C(NCc1ccn2ccnc2c1)N1CCOC2(CCCC2)C1 195541969 LMYDOLZWKTZEQM-UHFFFAOYSA-N 314.389 2.189 0 40 DEAB C[C@@H](CCO)C1(CNC(=O)c2cccc3oc(O)nc23)CCC1 576714854 HHOYZTWPCMBODI-NSHDSACASA-N 318.373 2.452 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O 96418262 DSMOMHDACCQYJR-BZSNNMDCSA-N 322.408 2.311 0 40 DEAB CC(C)(C)C[C@H](NC(=O)NCC(=O)N1CCCC1)C(F)(F)F 96496762 HNNAOSSUKHMDAF-JTQLQIEISA-N 323.359 2.275 0 40 DEAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2OCCc3ccccc32)n1 97229495 JQDPXRZITPQYDP-GUYCJALGSA-N 313.401 2.319 0 40 DEAB CC[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1cccs1 96424709 VTBCKZJLULGLFX-GJZGRUSLSA-N 310.463 2.332 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1cc(Cl)c(Cl)cn1)C(C)C 96443200 GCBQWGUSEHBCQH-LLVKDONJSA-N 304.177 2.488 0 40 DEAB COCc1nn(CCSc2ccc(Cl)cc2)c(=O)o1 95463603 YXKDMJXIMBUGIQ-UHFFFAOYSA-N 300.767 2.428 0 40 DEAB CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 96043413 LFOHHCKXTZMQFE-BRWVUGGUSA-N 302.418 2.002 0 40 DEAB O=C(C[C@@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCC1CC1 96206735 SWPVSFBZMDESDH-HRCADAONSA-N 320.458 2.254 0 40 DEAB CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Cc2ccccc2O)C1 246679102 QKJUZRMGZYCQQS-LKBUQDJMSA-N 309.431 2.131 0 40 DEAB CCc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1 244281654 WULBGTYRRSSGSG-UHFFFAOYSA-N 318.398 2.166 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)CCc3nc(C(C)C)no3)C2)n1 257279778 OIDNBRIDFWZBOE-LBPRGKRZSA-N 317.393 2.173 0 40 DEAB Cc1ccnc([C@@H]2CCN(S(=O)(=O)C3CCCCC3)C2)n1 257338725 YYRYOAHQUGYCEW-CYBMUJFWSA-N 309.435 2.237 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3c(C)nc4ccccn34)C2)n1 257263062 LOFLIKHTBHMVEV-CQSZACIVSA-N 323.400 2.233 0 40 DEAB COCCN1CCC[C@H](c2cccc(-c3ccnn3C)n2)C1 257326957 WZGFNDMSYRXOPC-AWEZNQCLSA-N 300.406 2.308 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccnc2)[C@H](c2ccccc2)C1 257200842 AFCDTNYITDPXKO-KRWDZBQOSA-N 309.369 2.127 0 40 DEAB CC(C)c1nnc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)o1 257308275 TWDHTRMUXAXLEP-LBPRGKRZSA-N 317.393 2.255 0 40 DEAB Cn1cncc1CN1CCOC[C@H](Cc2ccc(F)cc2)C1 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Cc1[nH]ncc1C(=O)N[C@H]1CCN(c2ccc(F)cc2F)C1 69848406 BRRAFSXDPKTLFT-NSHDSACASA-N 306.316 2.005 0 40 DEAB CCCN(C)c1ccc(C(=O)NCC(=O)N(CC)CC)cc1 64051678 XSLICNSTJNLYGQ-UHFFFAOYSA-N 305.422 2.131 0 40 DEAB COC(=O)/C=C(/Nc1ccc(C(F)(F)F)cc1)C(=O)OC 100039670 QRBIIAJFVJMRAY-JXMROGBWSA-N 303.236 2.347 0 40 DEAB COCCCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 6616185 OJBQGACDUSGGDC-LBPRGKRZSA-N 302.415 2.079 0 40 DEAB C[C@@H](O)[C@@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5532707 UPSICZTVXCCVHT-IUODEOHRSA-N 314.341 2.368 0 40 DEAB Cc1occc1-c1nn(CC(=O)N(C)C2CCCCC2)c(=O)o1 12115899 GIGDKTXUNPTRNA-UHFFFAOYSA-N 319.361 2.196 0 40 DEAB O=C(O)[C@@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCCNC1 12157329 ABTAPBKLEUWQSD-CZUORRHYSA-N 306.337 2.163 0 40 DEAB O=C(NCc1nc(-c2ccccc2)no1)C1Oc2ccccc2O1 12202645 LSYAPAGMRGZPEE-UHFFFAOYSA-N 323.308 2.150 0 40 DEAB CCn1c(C)nnc1SCC(=O)Nc1cccc(OC)c1 12843449 QYWIQUDJWRSVFA-UHFFFAOYSA-N 306.391 2.346 0 40 DEAB O=C1CCNC(=S)N1Cc1ccccc1CN1CCCCC1 14187751 ALJQXOWJQVVYEB-UHFFFAOYSA-N 317.458 2.279 0 40 DEAB CC(C)(C)c1nc(CSc2nnc(-c3ccco3)n2N)no1 23079248 VMEGWPMESWUVQC-UHFFFAOYSA-N 320.378 2.225 0 40 DEAB CN(C)Cc1noc([C@@H]2CCC(=O)N2Cc2ccccc2F)n1 1775964098 ROXPGKSSJOAYIN-ZDUSSCGKSA-N 318.352 2.134 0 40 DEAB biogenic,in-vitro COCc1cncc2c1CCN(C(=O)c1csc(C)n1)C2 1565547315 IMJBSTKNJLJVMB-UHFFFAOYSA-N 303.387 2.191 0 40 DEAB COCc1cncc2c1CCN(C(=O)c1cccc(Cl)n1)C2 1565547000 LPWSKICIQYRHHT-UHFFFAOYSA-N 317.776 2.475 0 40 DEAB O=C1[C@H](Cc2ccc(O)cc2)N=C2c3ccccc3NC(=S)N12 425512 RBNIURRLCATHCJ-AWEZNQCLSA-N 323.377 2.303 0 40 DEAB COc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1 4852128 HNUHPARWWADXSN-UHFFFAOYSA-N 323.356 2.170 0 40 DEAB CCCCNC(=O)c1nn(-c2ccccc2C)c(=O)cc1OC 7456407 RWQUQBDLHXXGPZ-UHFFFAOYSA-N 315.373 2.079 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)Nc1cccs1 10256279 XLVKZAFEEXYKKF-LBPRGKRZSA-N 301.371 2.457 0 40 DEAB CN1CCO[C@@]2(CCCN(C(=O)/C=C/c3cccs3)CC2)C1 2055785085 BJUAQUIJBOTGRS-FUTAKVPZSA-N 320.458 2.475 0 40 DEAB c1nnc(N2CCC[C@@]3(CN(CC4CCCC4)CCO3)C2)s1 2055830541 YAAUGEDCMYLYSO-MRXNPFEDSA-N 322.478 2.400 0 40 DEAB COc1ccc(-n2ccn(CC(C)C)c(=O)c2=O)cc1Cl 22725953 XYTBKUSVBOFIDR-UHFFFAOYSA-N 308.765 2.317 0 40 DEAB CO[C@H](CCSC)CNC(=O)NCc1ccc(F)cc1 1775967397 QCIXLBJWIXSMFE-CYBMUJFWSA-N 300.399 2.393 0 40 DEAB CC[C@@H]1c2ccsc2CCN1C(=O)C1=NN(C)C(=O)CC1 40013501 VGKVBXCSTRRXMH-GFCCVEGCSA-N 305.403 2.192 0 40 DEAB CCOc1cccc2c1O[C@@]1(C)C[C@H]2NC(=S)N1CCOC 100032137 GGJPMNCHEILAMY-WBMJQRKESA-N 322.430 2.462 0 40 DEAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1ccccc1Cl 40488280 FOOHABSZVAISCF-FZMZJTMJSA-N 311.765 2.351 0 40 DEAB CCCn1nc(C(=O)N(CC)Cc2cccs2)ccc1=O 40462381 UFUNNFMWTGAJED-UHFFFAOYSA-N 305.403 2.377 0 40 DEAB Cc1ccccc1NCCC(=O)NCc1nnc2ccccn12 40462188 MWVZVZBPPXXCBS-UHFFFAOYSA-N 309.373 2.156 0 40 DEAB O=S(=O)(NCc1ccccc1)c1cccc2nsnc12 183262 HCHFGTNGNXOFAA-UHFFFAOYSA-N 305.384 2.170 0 40 DEAB O=C(CCN1C(=O)COc2ccccc21)N1CCc2ccccc21 17337395 SKTYZQGRHNBLRZ-UHFFFAOYSA-N 322.364 2.391 0 40 DEAB CCc1nnc2n1CCN(Cc1ccc(-n3ccnc3)cc1)C2 69619175 YJKNOZOQOMBYAR-UHFFFAOYSA-N 308.389 2.042 0 40 DEAB COc1ccc(NC(=O)c2ccccc2)cc1-n1nnnc1C 69601735 FHYPGJKASRXPSR-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)C)c1 1343646 MCTMNVAPBDZPAM-HNNXBMFYSA-N 317.389 2.410 0 40 DEAB Cc1nc2ccccc2n(CC(=O)NC[C@H]2C[C@H]3C=C[C@H]2C3)c1=O 101726245 WGNJEIMDKAUULI-SOUVJXGZSA-N 323.396 2.033 0 40 DEAB COc1cccc([C@H](NC(=O)[C@@H](C)SC)c2nccn2C)c1 32626471 KLKMGZDGBUHYBJ-RISCZKNCSA-N 319.430 2.386 0 40 DEAB CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2N)cc1 3278357 GLGCREQRDZYRCV-UHFFFAOYSA-N 319.434 2.409 0 40 DEAB COc1ccccc1[C@H](CNC(=S)NC1CC1)N1CCCC1 21334356 LPURACZTVZCGKF-HNNXBMFYSA-N 319.474 2.459 0 40 DEAB O=C(Nn1c(S)nc2ccccc2c1=O)c1ccc(F)cc1 102229003 FALRQAJARNAVDN-UHFFFAOYSA-N 315.329 2.208 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN2[C@@H](C)c2nc(C3CC3)no2)n1 69740930 XQEJEWCAYUZWLV-IINYFYTJSA-N 316.409 2.381 0 40 DEAB COc1ccc(CNn2c(C)n[nH]c2=S)c(OC)c1OC 7601155 JBXAZLXIKROTML-UHFFFAOYSA-N 310.379 2.019 0 40 DEAB N=C(N)NCCSCCOc1cccc(Br)c1 69736834 MQQCSTKLLOVXBD-UHFFFAOYSA-N 318.240 2.044 0 40 DEAB CCCN1C(=O)/C(=C/c2ccc(NC(C)=O)cc2)NC1=S 105001323 VWAPMOPELAOIGQ-LCYFTJDESA-N 303.387 2.113 0 40 DEAB CCN(CCOC[C@H]1CCCO1)C[C@@H]1COc2ccccc2O1 89969223 RIPPSRILOKIQDE-HZPDHXFCSA-N 321.417 2.344 0 40 DEAB CN1[C@H]2CCC[C@H]1CC(N[C@@H]1CCN(CC(F)(F)F)C1)C2 101589933 DRTZHAYSRFQABZ-XBFCOCLRSA-N 305.388 2.228 0 40 DEAB C[C@]1(CO)CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 89919329 FZLCPPIWWDIVHB-SFHVURJKSA-N 311.385 2.378 0 40 DEAB C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(=O)n(C)c1 89930031 RBYRTNKEAVPQON-ZDUSSCGKSA-N 311.385 2.261 0 40 DEAB COC[C@@H](C)NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 814878 BISURCIVNPDBQB-PRHODGIISA-N 314.744 2.123 0 40 DEAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3n2C)cc1 27924042 PYEBPZVCGQYPGW-UHFFFAOYSA-N 317.370 2.383 0 40 DEAB Cc1ccn2c(=O)cc(CSc3nnc4ccccn34)nc2c1 23702189 BXXYFIYVFNMTIN-UHFFFAOYSA-N 323.381 2.338 0 40 DEAB Cc1c(C(=O)NC2CC2)sc2nc(-c3ccco3)[nH]c(=O)c12 24542242 DVJWGSBEICDFJQ-UHFFFAOYSA-N 315.354 2.445 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(Cl)cc1 107836784 VLSQZNNETAZASQ-ZAZJYDDPSA-N 307.733 2.323 0 40 DEAB CCCOc1cc(C)ccc1NC(=O)NCCC(=O)N(C)C 47766747 MZEDALKBYDFQHR-UHFFFAOYSA-N 307.394 2.384 0 40 DEAB N[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 43577694 VCNKZXFYJNIVEH-VIFPVBQESA-N 301.159 2.152 0 40 DEAB c1ccc(-c2nnc3n2CCN(CCc2ccncc2)C3)cc1 76183822 QBLRUANWTSZHPQ-UHFFFAOYSA-N 305.385 2.398 0 40 DEAB Cc1noc(N)c1[C@@]1(O)C(=O)Nc2c(Cl)cc(Cl)cc21 3228766 OEHHLZKRUOKPSV-GFCCVEGCSA-N 314.128 2.060 0 40 DEAB CCOc1ncccc1C(=O)Nc1ccn(Cc2ccccn2)n1 58269074 IWQLONPIPXIJTF-UHFFFAOYSA-N 323.356 2.372 0 40 DEAB C[C@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCO1 44966566 GQTGVUVSXOEHBQ-UONOGXRCSA-N 323.462 2.315 0 40 DEAB COC[C@H](C)N(C)C(=O)c1cc(-c2ccccc2OC)on1 44973319 QSBCELLQGSVOGI-NSHDSACASA-N 304.346 2.457 0 40 DEAB COc1c(CNC[C@@H]2CCN(C)c3ccccc32)c(C)nn1C 58402100 NOJTWPHKTOVVAP-AWEZNQCLSA-N 314.433 2.450 0 40 DEAB Cn1c(=O)n(CCC(=O)NCc2ccccc2)c2ccccc21 10823279 ARXJEDBNHPYMGL-UHFFFAOYSA-N 309.369 2.047 0 40 DEAB COc1ccc(F)cc1C(=O)COC(=O)Cn1nc(C)cc1C 10870537 DANXXPFRDIPTAA-UHFFFAOYSA-N 320.320 2.074 0 40 DEAB O=C(CSc1nnc2ccccn12)N1CCc2ccccc21 3341910 RQRXWCSIOYZPAT-UHFFFAOYSA-N 310.382 2.411 0 40 DEAB COCCSCC(=O)Nc1cc(NC(N)=O)ccc1Cl 48274511 VSXRUVKLIZQHPN-UHFFFAOYSA-N 317.798 2.149 0 40 DEAB COc1ccc(CN(C)c2nn3c(=O)cc(C)nc3s2)cc1 48300350 ADNAEUMPGXDEAD-UHFFFAOYSA-N 316.386 2.104 0 40 DEAB Cc1cc(C)c(SCC(=O)N(C)CC(=O)NC2CC2)c(C)c1 12881750 MTSIGYPFIQUONB-UHFFFAOYSA-N 320.458 2.441 0 40 DEAB CCOc1ccc(CN(C)C(=S)NCCCN(C)C)cc1 3414880 FZRJXZGFQPDEIE-UHFFFAOYSA-N 309.479 2.343 0 40 DEAB O=C(CSc1ncccn1)N[C@@H]1CCOc2ccccc21 13986452 JAVNGCKUMRNHHY-GFCCVEGCSA-N 301.371 2.209 0 40 DEAB NC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 65537878 HUNBIWVNQVOLJP-AWEZNQCLSA-N 303.337 2.321 0 40 DEAB Cc1csc(N2CCCN(C(=O)c3c[nH]cc3C)CC2)n1 65532473 DHERNNXRENOYTH-UHFFFAOYSA-N 304.419 2.441 0 40 DEAB Cc1cc(NC(=O)CN2CC=C(c3ccc(O)cc3)CC2)no1 65603910 ZXAWAKNXCFBRLC-UHFFFAOYSA-N 313.357 2.416 0 40 DEAB O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc(Cl)c1 4740140 NHLPBNKUCAMFFZ-MJBXVCDLSA-N 321.808 2.068 0 40 DEAB C/C(=C\C(=O)N1CCC[C@@H](C(N)=O)C1)c1ccccc1Cl 96292661 HTIZMLWSCWLUNT-LMMOQWNQSA-N 306.793 2.467 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 7131180 KWUWLEJLSUEHMA-INIZCTEOSA-N 324.327 2.347 0 40 DEAB CCOc1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7310611 NTRIZAIKLLSMOJ-MLGOLLRUSA-N 320.414 2.478 0 40 DEAB COC(=O)CCc1ccc(/C=C/C(=O)Nc2nccs2)o1 7402373 RYEGYLPGBHQMIF-GQCTYLIASA-N 306.343 2.494 0 40 DEAB COC[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)o1 81009649 RPVUEUMISLYOOB-GFCCVEGCSA-N 320.370 2.014 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1 68653631 YZUBVNPGMKSCPO-DOMZBBRYSA-N 302.374 2.170 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)C[C@H]2C=CCC2)c1 8075181 ROGWHNOEOPQBHT-LBPRGKRZSA-N 308.403 2.232 0 40 DEAB O=S1(=O)N=C(NCCc2cccc(F)c2)c2ccccc21 9456239 VOKKKJOLHVQLBV-UHFFFAOYSA-N 304.346 2.107 0 40 DEAB CNC(=O)c1cc(NC(=O)c2cc(F)ccc2O)ccc1F 94069886 ZKBLVNRFBRNEEY-UHFFFAOYSA-N 306.268 2.282 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1oc2c(OC)cccc2c1C 71853830 ITOATQZDJDCPGF-VIFPVBQESA-N 305.330 2.431 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1ccc(Cl)cc1 71823416 DHYYKMUMTNOZTR-VMHQAGKSSA-N 306.793 2.466 0 40 DEAB C[C@H](C(=O)N1CCC[C@@H]1CCc1ccccc1)S(C)(=O)=O 83888692 SDMGIRLWUGLFOZ-UKRRQHHQSA-N 309.431 2.043 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 94598388 RTUCVKUNDLTHJM-ZETCQYMHSA-N 305.227 2.391 0 40 DEAB C[C@@H]1CC(C)(C)CC[C@@H]1N[C@@H]1CCCN(S(C)(=O)=O)C1 97016651 OCXZYFWONYZNCG-MCIONIFRSA-N 302.484 2.215 0 40 DEAB CN(C)c1ccc(Cl)cc1NC(=O)NCC(=O)NCC1CC1 97047288 ANIMMVUOISHSKM-UHFFFAOYSA-N 324.812 2.054 0 40 DEAB CN(C(=O)c1ccccc1-n1ccnn1)c1ccc2c(c1)CCO2 97085780 HRYFSAZQYGPGPD-UHFFFAOYSA-N 320.352 2.479 0 40 DEAB c1ccc(-c2ncc(CNC[C@H]3CCc4nncn4C3)cn2)cc1 72252921 YFVLKALYNHNWTF-CQSZACIVSA-N 320.400 2.087 0 40 DEAB C#CCN1CCC[C@H]1C(=O)Nc1cc(-c2ccsc2)n[nH]1 72270389 ALVBQMLTAWPILH-ZDUSSCGKSA-N 300.387 2.174 0 40 DEAB CC(C)c1noc(CCNC(=O)N2C[C@H](C)S[C@H](C)C2)n1 78941570 KMLGFQVYLBPSGS-PHIMTYICSA-N 312.439 2.271 0 40 DEAB Cc1ccc(NC(=O)NC2CCN(C[C@@H]3CCOC3)CC2)nc1 97107611 SUBFMQSAMKQXRG-AWEZNQCLSA-N 318.421 2.012 0 40 DEAB Cn1c(CN2CCn3ccnc3C2)nc2cc(Cl)ccc21 97201629 MGPDUAARZKXXAG-UHFFFAOYSA-N 301.781 2.439 0 40 DEAB Cc1sc2ncnc(N3C[C@@H](C(N)=O)CC[C@@H]3C)c2c1C 78961089 IYCZWGANAQXVJI-KWQFWETISA-N 304.419 2.398 0 40 DEAB O=S1(=O)c2cccc3cccc(c23)N1C[C@@H](O)C(F)(F)F 97378061 IIMWCMDAPNHCMJ-LLVKDONJSA-N 317.288 2.272 0 40 DEAB CC[C@@H](NC(=O)[C@H]1CCCN1)c1nc(C(F)(F)F)cs1 72511903 QBPOZBYNJROAQB-HTQZYQBOSA-N 307.341 2.481 0 40 DEAB Cc1c(CNC(=O)NCCSc2ccc(F)cc2)cnn1C 95442710 PMRUUEAVYOKECE-UHFFFAOYSA-N 322.409 2.459 0 40 DEAB Cc1cc(CSCC(=O)NC[C@@H]2Cc3ccccc3O2)on1 95418030 ORZZLQMXQFPJQD-ZDUSSCGKSA-N 318.398 2.336 0 40 DEAB CN(C(=O)CN)c1nc2c(s1)C[C@@H](c1ccccc1)CC2 95971127 YTGGAAKOYPOLOR-LBPRGKRZSA-N 301.415 2.337 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN[C@H]1CCCC[C@H]1C(F)(F)F 95941229 CQMRRQROJZABKU-ZJUUUORDSA-N 323.359 2.321 0 40 DEAB Cc1nn(C(C)(C)C)c(=O)n1CC(=O)Nc1ccc(F)cc1F 95997490 NEDZRPFVOHCBFW-UHFFFAOYSA-N 324.331 2.025 0 40 DEAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[C@@H](CCO)C1CC1 88618972 JVXAACCTBPBAIS-IEZWGBDMSA-N 314.429 2.351 0 40 DEAB CCC[C@H](CCc1ccccc1)NC(=O)N1CCNC(=O)CC1 74540195 CURVRBCKZBMYBM-MRXNPFEDSA-N 317.433 2.319 0 40 DEAB CN(C)c1ccccc1NC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 89326811 IIDYRHDTORMVSK-HIFRSBDPSA-N 316.405 2.028 0 40 DEAB C[C@@H]1OCC[C@@H]1NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 89549335 JRWACZMLBCDHRU-JQFCIGGWSA-N 324.852 2.480 0 40 DEAB CCc1nnc2ccc(NCCc3ccc(OC)c(F)c3)nn12 68700543 YYSXLVCNYDNQKR-UHFFFAOYSA-N 315.352 2.489 0 40 DEAB O=S(=O)(c1ccccc1)N1CC[C@@]2(CCCc3c[nH]nc32)C1 306128565 HESDRNFIOJPPQH-INIZCTEOSA-N 317.414 2.078 0 40 DEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@H](C(C)C)CC(O)=N2 71283145 LEUIBSOPDYJDJP-MNOVXSKESA-N 311.407 2.282 0 40 DEAB O=C(O)Cc1csc(-c2ccc(CN3CCOCC3)cc2)n1 31945039 QPPRPCVNHIGAGS-UHFFFAOYSA-N 318.398 2.269 0 40 DEAB CCOc1cc(N2CCC[C@H](c3nnc4ccccn34)C2)ncn1 120873134 CVJCQTWXQOCGPJ-ZDUSSCGKSA-N 324.388 2.302 0 40 DEAB NC1=NC(=O)[C@@](Cc2cccs2)(c2ccc(Cl)cc2)N1 71975890 VRYJUISLIDEZFF-CQSZACIVSA-N 305.790 2.284 0 40 DEAB CCc1ccc2[nH]cc(C(=O)NCc3cccnc3)c(=O)c2c1 35289330 IAIAIBGVSYGSNB-UHFFFAOYSA-N 307.353 2.416 0 40 DEAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(F)cc2)cc1OC 72227204 KGVQAEUIDZKXHY-HZPDHXFCSA-N 316.332 2.258 0 40 DEAB c1ccc2c(c1)OC[C@H](CNc1ncnc3c1ncn3C1CC1)O2 567445150 VCLLOUMLBPYRAN-LBPRGKRZSA-N 323.356 2.413 0 40 DEAB CCOC(=O)c1ccc(NC(=O)c2ncccc2C(=O)O)cc1 83238096 PPPYCRMYZBJNGS-UHFFFAOYSA-N 314.297 2.209 0 40 DEAB O=C(O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 225129682 VPVUVCRQMLPRJV-UHFFFAOYSA-N 315.347 2.167 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 44866299 DIYVETPIHHWBKN-HNNXBMFYSA-N 315.300 2.407 0 40 DEAB CN(C)C(=O)N[C@H]1CCO[C@]2(CCN(Cc3ccccc3)C2)C1 96206219 OVGUNAWIRUMEOQ-FUHWJXTLSA-N 317.433 2.081 0 40 DEAB Cc1nc([C@@H]2CCN(C(=O)Nc3ccc4c(n3)CCC4)C2)n[nH]1 333937660 LTZGEGSVJHYTJQ-GFCCVEGCSA-N 312.377 2.018 0 40 DEAB CCn1nnc2cc(C(=O)O[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccc21 96416283 JJQQTLGSZHCEJW-BYCMXARLSA-N 315.373 2.422 0 40 DEAB CC(C)(C)CC(=O)N1C[C@@H]2C[C@H]1C(=O)Nc1ccccc1O2 96111605 PIFGFFSGTXBUNW-AAEUAGOBSA-N 302.374 2.423 0 40 DEAB biogenic,in-vitro CC1=NNC(=O)[C@@H]1CCNC(=O)C[C@@H](C)Cc1cccc(F)c1 531055659 UDIPMXOWOINXDA-XHDPSFHLSA-N 319.380 2.023 0 40 DEAB CCN1CCOC[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96076503 WCQAJCOMFYBRJB-LJQANCHMSA-N 316.445 2.190 0 40 DEAB COC[C@@]12CCO[C@@H]1CCN(C(=O)c1ccc(F)c(F)c1)C2 96110325 NWSYOXOKVGWGTG-ZBFHGGJFSA-N 311.328 2.232 0 40 DEAB CN(Cc1cnccn1)C(=O)Nc1cnn(-c2ccccc2)c1 96421988 JGHZOQRFOJMRCJ-UHFFFAOYSA-N 308.345 2.326 0 40 DEAB CC(C)OC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccn1C)C2 96040522 QYVZWUCHAGWPBR-WMZOPIPTSA-N 320.433 2.461 0 40 DEAB O=C(NC1(c2ncon2)CCOCC1)c1ccc(Cl)cc1 97373348 CCLHOBWDXHGUKU-UHFFFAOYSA-N 307.737 2.159 0 40 DEAB Cc1nc(CO[C@@H]2CN(Cc3ccco3)[C@@H]3COC[C@H]23)cs1 96055874 PEEBSHHDSMRIBO-ARFHVFGLSA-N 320.414 2.461 0 40 DEAB C1CO[C@@H]2CCN(C3CCOCC3)C[C@@]2(COCC2CC2)C1 247823531 DVHZQLDZPYBQJF-QZTJIDSGSA-N 309.450 2.463 0 40 DEAB Cc1cc(O)nc([C@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257214213 CLCODIUXRVDILH-CYBMUJFWSA-N 320.780 2.113 0 40 DEAB Cc1nc(N)cc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 257272375 NCEJHKARYYHIEM-AWEZNQCLSA-N 324.450 2.167 0 40 DEAB C[C@@]12CCN(C(=O)COc3cccc(F)c3)[C@@H]1CC[C@@H](O)C2 257273032 NEYANRQEGCZVDG-UNEWFSDZSA-N 307.365 2.357 0 40 DEAB COCc1nnc2n1CCN(Cc1cccc3[nH]ccc13)[C@@H]2C 585098358 WTGUHXWXRQYCNN-GFCCVEGCSA-N 311.389 2.483 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCCCNC1=O)c1cc2ccccc2o1 43865319 DAGXRDIODHYVQN-WCQYABFASA-N 315.373 2.462 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]3CCCC[C@@H]32)c(=O)[nH]1 54573553 FBDMIXIYRYWEMD-HIFRSBDPSA-N 303.406 2.110 0 40 DEAB O[C@H](CN1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccco1 85436911 FMIWIEXZIIJXAK-MRXNPFEDSA-N 322.355 2.409 0 40 DEAB CC[C@H](CO)Nc1ncnc2c1cnn2-c1ccc(F)cc1 11025559 WLCZBTQXUNFIRA-LLVKDONJSA-N 301.325 2.137 0 40 DEAB CC(C)(C)C(=O)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 12084957 ZWDXOBZDMBKBIR-LLVKDONJSA-N 319.434 2.439 0 40 DEAB CC[C@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1CC1 12182463 OFTYCOOYUYUBMW-GFCCVEGCSA-N 317.414 2.277 0 40 DEAB O=C(NCc1noc(-c2ccccc2)n1)C1Oc2ccccc2O1 12203013 ZPGBBADXNTVOBK-UHFFFAOYSA-N 323.308 2.150 0 40 DEAB COc1ccc(CNCC[C@@]2(O)C[C@@H](C)N(C)C[C@@H]2C)cc1 13381827 YPTJQGIRFIIISJ-HDMKZQKVSA-N 306.450 2.266 0 40 DEAB COc1cccc(OC)c1C(=O)NCCCN1CCCCC1 13670405 OAXZYZHULHJBFU-UHFFFAOYSA-N 306.406 2.310 0 40 DEAB O=c1[nH]c2cc3c(cc2cc1CNC1CCCC1)OCCO3 13999201 MLOLYKVOPURKCN-UHFFFAOYSA-N 300.358 2.332 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1cnn[nH]1)c1ccccc1Cl 19526303 SFOABWOFPZCNTP-CQSZACIVSA-N 321.812 2.271 0 40 DEAB CCc1nnc2n1N=C(c1ccc(NC(C)=O)cc1)CS2 19689557 ZUEWBCOIZZPZBJ-UHFFFAOYSA-N 301.375 2.157 0 40 DEAB O=C(NCC(=O)N1CCc2ccccc2C1)c1ccccc1F 15338873 CDLNSUVGIBCNQQ-UHFFFAOYSA-N 312.344 2.140 0 40 DEAB COc1ccc(CNC(=O)c2c(Br)cnn2C)cc1 28576793 LBNMMNCTHWIXFY-UHFFFAOYSA-N 324.178 2.121 0 40 DEAB O=C(/C=C/c1cccs1)N1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1 1565551067 JCADCWBJSMZXLF-QDNWOOLPSA-N 318.442 2.083 0 40 DEAB CCCn1c(CCNC(=O)CC[C@H](C)O)nc2ccccc21 7546447 DRRSEVKWTJSYSX-ZDUSSCGKSA-N 303.406 2.266 0 40 DEAB C[C@](O)(CNC(=O)c1noc2c1CCCC2)Cc1ccsc1 618257000 OJGDANNAMDSGAP-MRXNPFEDSA-N 320.414 2.338 0 40 DEAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101058064 PJOKVFOLMGZFIH-YHUYYLMFSA-N 302.418 2.202 0 40 DEAB Cc1cc(NCCCC(=O)OC2CCCC2)n2ncnc2n1 69738168 MFDLVLBGUVQCQD-UHFFFAOYSA-N 303.366 2.111 0 40 DEAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1C(=O)NC2(CCCC2)C1=O 8326863 MLLUROXDZNVZQO-JTQLQIEISA-N 319.336 2.017 0 40 DEAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCCCO3)cnn1C 32283197 DTENYMGQHMZSML-LLVKDONJSA-N 315.373 2.381 0 40 DEAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)N(C)C)c1C 1388527 LLMMVZAUUIFQFB-UHFFFAOYSA-N 310.423 2.452 0 40 DEAB CCCCOCCOCCOC(=O)c1ccc2c(c1)OCO2 1847723 ZYVTYOMVFLAPLX-UHFFFAOYSA-N 310.346 2.405 0 40 DEAB O=C(NC(=S)N1CCOCC1)C12CC3C[C@@H](CC[C@H](C3)C1)C2 2290755 NZJJSJDGHKYNJE-GXZXJKLZSA-N 322.474 2.326 0 40 DEAB Cc1nn(C)cc1NC(=S)Nc1ccc2c(c1)OCCO2 2799470 MTHDMMFBOZRIQT-UHFFFAOYSA-N 304.375 2.309 0 40 DEAB Cc1ccc(C(=O)OCc2cc(=O)n3ccsc3n2)s1 3537719 BLELPVXOXOAFNT-UHFFFAOYSA-N 306.368 2.483 0 40 DEAB CC(C)c1cc(C(=O)N2Cc3ccccc3C2)nc2ncnn12 91974269 AEUZJCOAILDNSI-UHFFFAOYSA-N 307.357 2.404 0 40 DEAB COCCn1cc(NC(=O)CO[C@@H]2CCCC[C@@H]2C)ccc1=O 89927787 UQNGKZKFUSCKIL-DZGCQCFKSA-N 322.405 2.029 0 40 DEAB CCNC(=O)N1[C@@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 101323000 KMXBKNUJZQJSHO-CHWSQXEVSA-N 322.430 2.185 0 40 DEAB Cc1ccc(S(=O)(=O)NCCC(=O)N2CCCCCC2)cc1 8181509 HLKSPFHRELNTCQ-UHFFFAOYSA-N 324.446 2.066 0 40 DEAB O=c1[nH]cnc2c(Br)cc(Br)cc12 8647742 PCUXMFPULVMCQM-UHFFFAOYSA-N 303.941 2.448 0 40 DEAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCCC1 531950 VWLTXAXITRPRNT-UHFFFAOYSA-N 315.377 2.056 0 40 DEAB Cc1ccc(C2=CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)CC2)cc1 53376821 QLSLVRZQYPSUMF-MRXNPFEDSA-N 319.426 2.045 0 40 DEAB CN(C)c1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cn1 22327162 GHPYUDJENTZSOS-UHFFFAOYSA-N 308.382 2.001 0 40 DEAB COc1ccc2oc(=O)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2c1 795246 LEMIBJYLURXYFR-GHMZBOCLSA-N 317.341 2.051 0 40 DEAB Cc1ccc(Cl)c(OCC(=O)NCCCN2CCCC2=O)c1 22625317 NCMWVEGXBVKUGS-UHFFFAOYSA-N 324.808 2.156 0 40 DEAB Cc1csc(N2CCN(C(=O)NCc3ccoc3)CC2)n1 47088508 JJQVTMPEUCDIQT-UHFFFAOYSA-N 306.391 2.076 0 40 DEAB COc1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 23078576 XGKTZZRWWVRUPY-WFASDCNBSA-N 306.387 2.088 0 40 DEAB O=C(NCc1ccsc1)c1ccc2c(=O)[nH]c(S)nc2c1 47110284 OSJOJANWONDPFX-UHFFFAOYSA-N 317.395 2.203 0 40 DEAB CC(C)(CNC(=O)Nc1ccc(F)cc1F)N1CCOCC1 23994915 JRWPEWMCCFPJFV-UHFFFAOYSA-N 313.348 2.197 0 40 DEAB CC(=O)N1CCCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 24710547 OXNBUUUMLNKIJO-UHFFFAOYSA-N 324.446 2.053 0 40 DEAB C[C@H]1CCCCN1C(=O)CN1CCN(c2ccccc2)CC1 34685367 PUSANJUIBVAZCA-INIZCTEOSA-N 301.434 2.210 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1cccn(C)c1=O 78712864 ZNHMHSPODVFPSP-UHFFFAOYSA-N 312.778 2.148 0 40 DEAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 12515912 VBSUEFMURFNYEU-JHJVBQTASA-N 319.405 2.081 0 40 DEAB O=C(Cc1csc(-c2ccsc2)n1)N1CCC(O)CC1 35117962 GRSNEKKXWCHLOK-UHFFFAOYSA-N 308.428 2.397 0 40 DEAB CN(CC(=O)NC[C@@H]1CCOc2ccccc21)[C@H]1CCSC1 110698640 YTCKKLZVFPMMKY-KBPBESRZSA-N 320.458 2.106 0 40 DEAB O=C1CCc2c(OCc3cc(=O)n4ccccc4n3)cccc21 10198221 LEFQDMFDJUGVIR-UHFFFAOYSA-N 306.321 2.402 0 40 DEAB C[C@H]1C[C@@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1 78947682 WOJJQFZLHPCXRE-YOEHRIQHSA-N 320.408 2.458 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)no1 44889543 JDPPLCSBOZECNI-JTQLQIEISA-N 323.374 2.269 0 40 DEAB c1ccc(-n2cc(CCNc3ncnc4[nH]ncc34)cn2)cc1 44928586 IPSJUVKYNMTLQS-UHFFFAOYSA-N 305.345 2.193 0 40 DEAB Cc1csc(=O)n1CCn1cc(C(F)(F)F)ccc1=O 44908599 HMBMVJZSABXEPH-UHFFFAOYSA-N 304.293 2.099 0 40 DEAB CC(C)(C)[C@H](NCCCC(=O)NC(N)=O)c1ccc(F)cc1 58304802 PHPPKVKBTXQGMV-CQSZACIVSA-N 309.385 2.478 0 40 DEAB COCCC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 79049466 DLNHWTLCXOWUED-AWEZNQCLSA-N 316.401 2.166 0 40 DEAB COc1ncccc1NC(=O)NC[C@@H](c1ccco1)N(C)C 48414104 JKRVFUSSCMIMFW-LBPRGKRZSA-N 304.350 2.108 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2c(C)noc2C)c1 3564361 IXHFQAHEVVQTGM-UHFFFAOYSA-N 304.302 2.096 0 40 DEAB C[C@H](Cn1cc(Br)cn1)c1n[nH]c(=S)n1C 8535137 ZGASMOQCQPSFIO-ZCFIWIBFSA-N 302.201 2.240 0 40 DEAB O=C(c1ccc(-c2cccs2)[nH]c1=O)N1CCSCC1 49519598 AVDMYSVGDRPLFP-UHFFFAOYSA-N 306.412 2.292 0 40 DEAB Nc1nc(CSc2ncccn2)nc(Nc2ccccc2)n1 18056721 RKHUISQPAUABAV-UHFFFAOYSA-N 311.374 2.280 0 40 DEAB COCc1nc(C(=O)N2CCC[C@H](n3ccnc3C)C2)cs1 69872677 KYOIKZNRBDWMNT-LBPRGKRZSA-N 320.418 2.272 0 40 DEAB O=C(COC(=O)c1ccccn1)Nc1ccccc1OC(F)F 5060038 QSTDXPKISWJLNS-UHFFFAOYSA-N 322.267 2.479 0 40 DEAB COc1ccccc1-n1c(=O)c2ccccc2n2c(S)nnc12 6476602 DUMMYUKDIUPBRG-UHFFFAOYSA-N 324.365 2.331 0 40 DEAB CN(Cc1nnc2ccccn12)C(=O)c1cc2ccccc2[nH]1 71184975 SYLMKXNTWUQZIN-UHFFFAOYSA-N 305.341 2.483 0 40 DEAB C[C@H](NC(=O)CSc1n[nH]c(N)n1)c1cc2ccccc2o1 7897288 JSRBJHLALNTNBW-QMMMGPOBSA-N 317.374 2.103 0 40 DEAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccccc1 7914020 KFJJHACBLFQSRP-UHFFFAOYSA-N 301.371 2.451 0 40 DEAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@@H]1C1OCCO1 69296256 IITWZMOSGSEDOY-GFCCVEGCSA-N 318.329 2.302 0 40 DEAB CC(C)[C@@H](NC(=O)N1CCCN(C=O)CC1)c1ccc(F)cc1 9594901 IUMXJHRZPHTEDP-MRXNPFEDSA-N 321.396 2.397 0 40 DEAB CS[C@@H]1CCC[C@H]1N(C)C(=O)CNC(=O)c1cc(C)oc1C 84081526 BEJIFBVXJMBIJL-ZIAGYGMSSA-N 324.446 2.369 0 40 DEAB CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@@H]1c1cccnc1 71885771 YPKDONFLSZKUDZ-MSOLQXFVSA-N 324.428 2.171 0 40 DEAB O=C(NC1CCSCC1)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 71900144 ZKKPSAMUNLRUFK-CABCVRRESA-N 324.490 2.427 0 40 DEAB Cc1cc(N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)nc(C)n1 84114393 LRDNEJJHFMTDLP-ZWKOTPCHSA-N 324.428 2.183 0 40 DEAB CCc1cc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)[nH]n1 97080807 YDTPIMZDDVPJHN-UHFFFAOYSA-N 314.324 2.072 0 40 DEAB C[C@@H](NCC(=O)N1CCCc2ccccc21)[C@@H](C)n1cccn1 72269798 CNULSQBRHUSBLS-HUUCEWRRSA-N 312.417 2.402 0 40 DEAB COc1c([C@H]2CCCN2C(=O)c2cnc(C)s2)c(C)nn1C 72234444 NPFFCMLBYOVFMQ-LLVKDONJSA-N 320.418 2.479 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ncccc3[nH]2)cc1 79487826 JKYUJDNPBRLJLD-UHFFFAOYSA-N 323.356 2.488 0 40 DEAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1n[nH]c2ccccc12 79473502 RQNOSJKJJVNWCZ-AWEZNQCLSA-N 306.325 2.376 0 40 DEAB COc1cccc(CN2CCC(NCc3c[nH]nc3C)CC2)c1 97159451 KBCBMRKDEBPPEV-UHFFFAOYSA-N 314.433 2.481 0 40 DEAB COC(=O)[C@@H](NC(=O)Cc1cc(C)on1)c1ccccc1Cl 72555144 AJNFADQZTARQMM-AWEZNQCLSA-N 322.748 2.209 0 40 DEAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CCC(O)CC1 84640686 SYKBCZWCQVBTRJ-XEBKBJJBSA-N 306.406 2.268 0 40 DEAB CCCCn1nnnc1CNC(=O)C(C)(C)c1cccc(F)c1 95398786 CBFYZLINBIBRMJ-UHFFFAOYSA-N 319.384 2.206 0 40 DEAB CCn1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2ccco2)C1 89310050 OHRSWECPBJGJRY-SBDDDAINSA-N 300.362 2.310 0 40 DEAB O=C(CCC(=O)c1cccs1)N[C@H]1c2ccccc2C[C@@H]1O 75092599 GJLLENFJTQOILF-YOEHRIQHSA-N 315.394 2.486 0 40 DEAB O=C(Cn1ccnn1)Nc1ccnn1[C@H]1CCCc2ccccc21 75105046 UWQDEFJQZSGCAD-HNNXBMFYSA-N 322.372 2.039 0 40 DEAB NC(=O)[C@H]1CCC[C@@H]1Nc1nccc(OCc2ccccc2)n1 89601156 DQTLCEHGFHYVMD-KBPBESRZSA-N 312.373 2.122 0 40 DEAB O=S(=O)(CC[C@H]1CCCO1)N[C@@H]1CCc2ccc(F)cc21 89807178 WMCNIHJVLFZBCD-UKRRQHHQSA-N 313.394 2.302 0 40 DEAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C(N)=O)CC1 20490171 KJKOIINSEYIXCX-OAHLLOKOSA-N 318.417 2.185 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NCCOc1ccc(F)cc1 30130606 MRNIEUNFUVMBHP-UHFFFAOYSA-N 319.380 2.304 0 40 DEAB Cc1cnn(CCCNc2nccc3c2C(=O)OC3(C)C)c1 79002481 HENNBBJDCJGMEV-UHFFFAOYSA-N 300.362 2.494 0 40 DEAB Cc1cccc(NC(=O)C[C@@H](C)NC[C@@]2(O)CCSC2)c1 531738337 KJIXJNYQSKPLTF-CJNGLKHVSA-N 308.447 2.170 0 40 DEAB Cc1cc(C)n(-c2ccc(NC[C@H]3CCCC[C@@H]3O)nn2)n1 77237610 UZUVVJZUOCINHT-KGLIPLIRSA-N 301.394 2.242 0 40 DEAB CCN(CCN)C[C@H]1CCCN1C(=O)OCc1ccccc1 79391780 MLAIDEXCSDRSAA-MRXNPFEDSA-N 305.422 2.068 0 40 DEAB COc1ccc(-c2ccc(S[C@@H](C)C(N)=O)nn2)cc1OC 35314473 ZNJLAUKWXZPCPU-VIFPVBQESA-N 319.386 2.127 0 40 DEAB Cc1ccc(Br)cc1CNC(=O)N(C)C[C@H](C)O 187666066 DFDRRUNBWMBWAQ-JTQLQIEISA-N 315.211 2.280 0 40 DEAB COCCOc1cccc(C(=O)N2CC[C@@H](O)CC23CCC3)c1 566083290 PNLRHQFYSGVXCP-OAHLLOKOSA-N 319.401 2.231 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1cn(-c2ccccc2)nc1C)C(=O)O 195541714 IUSCKQDAGQHYPM-NHYWBVRUSA-N 315.373 2.410 0 40 DEAB CC(C)OCCCNC(=O)CCC(=O)NCCc1ccccc1 199421295 FTBFLROCWLRFQV-UHFFFAOYSA-N 320.433 2.057 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)c1ccc2ccn(C)c2c1 49543614 DYKKXKNSBUCJRS-ZDUSSCGKSA-N 320.414 2.203 0 40 DEAB biogenic C[C@@]1(O)CCN[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 514289001 DYZBFBVMVHXLMI-OFQRWUPVSA-N 308.447 2.209 0 40 DEAB biogenic,in-vitro Cc1cc(Cl)cc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1 194017422 WBFFMZAMIBHWNA-QWHCGFSZSA-N 310.825 2.176 0 40 DEAB Cn1ccnc1CN1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186414 XZKXFSDXTIWBDT-HOTGVXAUSA-N 310.401 2.190 0 40 DEAB CC(=O)c1csc(C(=O)N(C)Cc2cnc(N(C)C)nc2)c1 96500318 LSWXWOBOJVRLAX-UHFFFAOYSA-N 318.402 2.079 0 40 DEAB c1ccc(O[C@@H]2CO[C@@]3(CCN(CC4CCOCC4)C3)C2)nc1 96107662 YRDHSQLZXJZFKQ-WMZOPIPTSA-N 318.417 2.120 0 40 DEAB Cn1ncc2c1CN(C(=O)c1ccco1)C[C@H]2COCC1CC1 96044644 JTPFMXATCCSVAO-ZDUSSCGKSA-N 315.373 2.179 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1Cc3ccccc3S1)C2 97199240 YKUOPFCSLQVTCP-HIFRSBDPSA-N 313.426 2.340 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCCCNC1=O 246394583 QALSPBLROFQMFM-RWMBFGLXSA-N 313.467 2.019 0 40 DEAB Cc1nc(O)cc([C@H]2CN(Cc3sccc3C)CCO2)n1 257222966 DVICGXJZFREIDD-CYBMUJFWSA-N 305.403 2.434 0 40 DEAB Nc1cc(CC[C@@H]2CN(Cc3ccc(F)cn3)CCO2)ccn1 257315855 VDAAUGZPULNTJN-MRXNPFEDSA-N 316.380 2.032 0 40 DEAB CCCCc1nc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c[nH]1 257313337 URXSXQNSRSQEOJ-IAGOWNOFSA-N 315.417 2.376 0 40 DEAB O=C(CC1(O)CCCCC1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257226328 FKFRAVDCOINQDY-AWEZNQCLSA-N 305.422 2.276 0 40 DEAB CN(C)c1cccc([C@@H]2CN(Cc3cncs3)CCO2)n1 257315079 UZVIJDYJRZJXIS-AWEZNQCLSA-N 304.419 2.178 0 40 DEAB C[C@H]1c2nc(CC(=O)NC3CC3)cn2CCN1C1CCCC1 253591166 KKNYJBMANUOGTN-LBPRGKRZSA-N 302.422 2.023 0 40 DEAB CCN1CCC(N2CCN(C)[C@@H](c3ccccc3OC)C2)CC1 257328581 XGHQRDUANOXINC-GOSISDBHSA-N 317.477 2.468 0 40 DEAB O=S(=O)(Cc1ccccc1)Nc1ccc(-n2ccnc2)nc1 85472642 VTMCBGMMCYIELF-UHFFFAOYSA-N 314.370 2.209 0 40 DEAB CCc1ncnc(O[C@H]2CCN(C(=O)CC(F)(F)F)C2)c1F 390828697 SZRDBLDUAPGIIK-QMMMGPOBSA-N 321.274 2.110 0 40 DEAB O=C(NCCc1ccc(-c2ccoc2)s1)N1CCNC1=O 390830651 MKLIVMKXLIXYGA-UHFFFAOYSA-N 305.359 2.285 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575403082 ILHKJYLZOYWCPV-HNNXBMFYSA-N 318.442 2.485 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575405428 HXYLSZBVVLQIJB-BMFZPTHFSA-N 311.385 2.329 0 40 DEAB C[C@H](NC(=O)c1ccc(F)cc1F)c1nnc2ccccn12 52757261 OLKUAAIQQMTITN-VIFPVBQESA-N 302.284 2.499 0 40 DEAB CCCC(=O)NCC(=O)N(Cc1ccco1)CC(F)(F)F 69350276 CTEPNTXHDUNXMB-UHFFFAOYSA-N 306.284 2.087 0 40 DEAB Cc1nn(C)c(C)c1CNCc1ccc(N2CCOC2=O)cc1 97083989 RBENAVMLLPMMHZ-UHFFFAOYSA-N 314.389 2.283 0 40 DEAB COCc1nsc(N2CCN(c3cccc(OC)c3)CC2)n1 301458161 XSLMZPQJKRFJRK-UHFFFAOYSA-N 320.418 2.020 0 40 DEAB CCC(CC)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253633 DJRDELITNZVCKG-UHFFFAOYSA-N 307.781 2.355 0 40 DEAB Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1O 12688210 DCRITJZEEPMRKL-UHFFFAOYSA-N 314.293 2.469 0 40 DEAB Cc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)n(C)n1 13614979 KZKJCUMXCSYYDT-UHFFFAOYSA-N 303.347 2.021 0 40 DEAB CC[C@@H](c1nnnn1C(C)(C)C)N1CCN(C2CCCC2)CC1 19500570 GMLUXTKWFLFVSC-HNNXBMFYSA-N 320.485 2.439 0 40 DEAB COc1ccc(-c2ccccc2C[C@H]2CNCCNC2=O)cc1 19558410 LPYJUYWXNZRDTR-INIZCTEOSA-N 310.397 2.240 0 40 DEAB O=C1O[C@H](C(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc21 6647753 CNMIGMPROMPDSZ-HNNXBMFYSA-N 311.293 2.136 0 40 DEAB Cc1cccc(CN2CCN([C@@H](C)C(=O)NC(C)C)CC2)c1 22778454 JNZJVQWDAMZNCA-INIZCTEOSA-N 303.450 2.026 0 40 DEAB O=c1[nH]c(Cn2cc(C(F)(F)F)ccc2=O)nc2ccccc12 31625261 CTXSUUSEUHLGMK-UHFFFAOYSA-N 321.258 2.152 0 40 DEAB CCn1c(=NC(=O)c2ccno2)sc2cc(OC)ccc21 244983918 IXOGEZIHHYPTBV-UHFFFAOYSA-N 303.343 2.460 0 40 DEAB Cc1cc(C(=O)N=c2sc3cc(F)ccc3n2C)nn1C 244975246 IHSKYGDYSAZKCN-UHFFFAOYSA-N 304.350 2.162 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)Cc3ccccc3)ccc21 9572755 DTDPYYGWPLDWDD-UHFFFAOYSA-N 316.382 2.147 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCc2ncnc(C3CC3)c2CC1 2055730044 UUSWBQVQINTSJK-UHFFFAOYSA-N 324.384 2.460 0 40 DEAB O=C(NCCCn1ncccc1=O)c1cccc2ccccc12 23137416 SCYXRSVXSACOOM-UHFFFAOYSA-N 307.353 2.217 0 40 DEAB Cc1ccccc1CN(C)C(=O)[C@H]1CCCN(C(=O)N(C)C)C1 40088499 CFSMQSBFNJSFPH-INIZCTEOSA-N 317.433 2.347 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 50039860 MHLHNTHGEXKXNR-LLVKDONJSA-N 312.163 2.067 0 40 DEAB O=C(COCCc1ccccc1)N1CCC[C@H]1Cn1cccn1 70039867 XPXSGPCCUUKJAC-KRWDZBQOSA-N 313.401 2.133 0 40 DEAB COC(=O)[C@@H]1C[C@@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)N1 101481458 LMESCXZYKUQWTJ-RDBSUJKOSA-N 305.374 2.221 0 40 DEAB COc1ccc(Nc2nnc(S[C@@H](C)C(N)=O)s2)cc1 3500465 YAOOQDCBNXBNNC-ZETCQYMHSA-N 310.404 2.256 0 40 DEAB O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CCc2ccccc21 32768077 AFJCAOSQSLROSH-QGZVFWFLSA-N 319.368 2.046 0 40 DEAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc2c(c1)OCO2 4804730 SKMLRLRBCZNOTB-VIFPVBQESA-N 305.359 2.268 0 40 DEAB CC(=O)N1CCCN(Cc2nc3cc(Cl)ccc3n2C)CC1 52310437 VTOIPIBLJDJHOC-UHFFFAOYSA-N 320.824 2.281 0 40 DEAB CCOC(=O)C1CCN(C(=O)COc2c(C)cccc2C)CC1 6891685 KREMPEVJOLDUCF-UHFFFAOYSA-N 319.401 2.484 0 40 DEAB COc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cn1 7529817 LCUDCUCZOLFXPO-UHFFFAOYSA-N 317.370 2.306 0 40 DEAB CCCCN1C(=O)/C(=C/c2cccc3c2OCO3)NC1=S 102141949 CFFWHQWDLAORSD-FLIBITNWSA-N 304.371 2.273 0 40 DEAB C[C@H]1NC(=O)NC2=C1C(=O)N(c1cccc(C(F)(F)F)c1)C2 8132251 BFQBELRPMBUPHO-SSDOTTSWSA-N 311.263 2.007 0 40 DEAB Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1Cc1ccccn1 42025062 JJKZQRUYJXTNQQ-CQSZACIVSA-N 313.401 2.409 0 40 DEAB Cc1ccccc1CCNC(=O)c1ccc2c(c1)OCC(=O)N2 22650425 RHBKCDQKAXCJBN-UHFFFAOYSA-N 310.353 2.298 0 40 DEAB CCNC(=O)NC(=O)CN[C@@H](c1ccc(F)cc1)C1CCC1 69737028 FZPDCGNTAIBPPE-OAHLLOKOSA-N 307.369 2.102 0 40 DEAB Cc1ccsc1C(=O)NCCCn1ncc2c1c(C)nn2C 57279066 JMFVCCVGENCADL-UHFFFAOYSA-N 317.418 2.268 0 40 DEAB Cn1cc(C(=O)NCc2ccco2)c(=O)c2cc(F)ccc21 22236191 MYQBIPQRNFUHHV-UHFFFAOYSA-N 300.289 2.201 0 40 DEAB CCc1ccc(CN(C)CN2C(=O)N[C@](C)(C3CC3)C2=O)cc1 23624996 HNPCEVNKDXYREQ-GOSISDBHSA-N 315.417 2.359 0 40 DEAB O=C1SCCN1CCC(=O)N1CCC[C@@H]1c1ccncc1 42796552 ZZBOIYIQYCUWNQ-CYBMUJFWSA-N 305.403 2.304 0 40 DEAB O=C(CN1CCSC1=O)N1CCC(c2ccc(O)cc2)CC1 55124739 KQCKAKILEWYHII-UHFFFAOYSA-N 320.414 2.267 0 40 DEAB Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)on1 12531618 LCXDJWBQEZAXNV-AWEZNQCLSA-N 314.320 2.375 0 40 DEAB CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)Cn1nc(C)cc1C 110585404 JZIBAORNXFOYJW-GDBMZVCRSA-N 321.469 2.062 0 40 DEAB Cc1noc([C@@H](C)N2CCCC[C@@H]2Cn2nc(C)nc2C)n1 106665166 WENURLXFCYIARA-QMTHXVAHSA-N 304.398 2.202 0 40 DEAB C[C@H](CN1CCCC1=O)NC(=O)C1(c2cccc(Cl)c2)CC1 55814376 YIVKEZGROAHFOQ-GFCCVEGCSA-N 320.820 2.499 0 40 DEAB CCCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1 25614961 UWMJAQNFMBXCDY-UHFFFAOYSA-N 318.826 2.120 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2nnsc2Cl)n1 69490463 YETQYAJEBKLINH-JTQLQIEISA-N 312.830 2.064 0 40 DEAB Cc1ccn2cc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)nc2c1 25915840 MLVFCNAWNNMOLQ-UHFFFAOYSA-N 322.324 2.226 0 40 DEAB Cc1cc2nc(SCC(=O)NC3CCCCC3)[nH]c(=O)c2[nH]1 57520770 LVOPFEGMAAPTBZ-UHFFFAOYSA-N 320.418 2.101 0 40 DEAB C[C@H](Cc1ccco1)NS(=O)(=O)c1cc(F)ccc1F 44444012 AQRYARQKGZGSNU-SECBINFHSA-N 301.314 2.467 0 40 DEAB C[C@@H](OC(=O)c1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 27074424 CPYDZBCGPDRYJN-LLVKDONJSA-N 321.373 2.308 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC(=O)N3)no1 27019505 MEDGXLABXXFHFJ-JTQLQIEISA-N 314.345 2.307 0 40 DEAB C[C@H]1CN(CN2C(=O)S/C(=C\c3ccco3)C2=O)C[C@H](C)O1 28640800 GOEKNDBVZFVRRX-LBPWLNMHSA-N 322.386 2.383 0 40 DEAB O=C(Cn1ccccc1=O)N[C@@H](c1ccccc1)c1ccccn1 44720847 HNOYGZFWTDPBQN-IBGZPJMESA-N 319.364 2.149 0 40 DEAB CN(C(=O)CN(c1ccccc1)S(C)(=O)=O)C1CCCCC1 22432076 BOPIJPQCZAPOIM-UHFFFAOYSA-N 324.446 2.244 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1 44895005 QYHVVIOMCZUTKS-DGCLKSJQSA-N 314.389 2.190 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)[C@H](C)n1ccnc1)CC2 44888262 FPOCJSYPDLAGHN-LBPRGKRZSA-N 315.373 2.046 0 40 DEAB Cc1c([C@@H](C)NC(=O)c2cnn(C)c2)cnn1-c1ccccc1 58392505 JJIXYRYGLBYDIP-GFCCVEGCSA-N 309.373 2.405 0 40 DEAB Cc1cc(=O)c(C(=O)NCC(C)C)nn1-c1ccccc1F 12799413 RMDNDKJUHDHNLN-UHFFFAOYSA-N 303.337 2.066 0 40 DEAB CCc1nc(CN2CCCN(C(=O)c3ccc[nH]3)CC2)cs1 69627139 LUCWOLXGKKSVQE-UHFFFAOYSA-N 318.446 2.382 0 40 DEAB O=C(Nc1ccc(Cn2cncn2)cc1)c1ccc2[nH]cnc2c1 13686920 JXPGYOGFYUZLOM-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1cccc(F)c1 4266688 DYJVPAYTBHBPNN-UHFFFAOYSA-N 321.315 2.165 0 40 DEAB O=C(O)c1csc(CNC(=O)[C@@H]2CSc3ccccc32)n1 92238012 PYCDTWZRFYFAFI-SECBINFHSA-N 320.395 2.347 0 40 DEAB C[C@@H](NC(=O)NCC1(c2ccc(F)cc2)CC1)c1nncn1C 65401456 NNKNBGWVWGWHTH-LLVKDONJSA-N 317.368 2.046 0 40 DEAB Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)c1 65531668 OXJRDQVKJRNDAJ-KGLIPLIRSA-N 324.446 2.063 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc2c(OC)cccc2[nH]1 5352156 MGXVRMRZCPNQBN-GFCCVEGCSA-N 301.390 2.391 0 40 DEAB 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323.352 2.402 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1=NCCS1 9743925 QSXJQBOPSDYTQW-YPMHNXCESA-N 319.430 2.050 0 40 DEAB C[C@H](C(=O)OCc1csc(C(C)(C)C)n1)N1C(=O)CCC1=O 84099079 AUUMEDDVBULYKE-SECBINFHSA-N 324.402 2.021 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)N[C@H](C(C)C)C2=O)cc1Cl 9503434 SMSLNXBKPGRJIL-CYBMUJFWSA-N 323.780 2.163 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 71857046 PLGMLOOSOBJEPS-OAHLLOKOSA-N 300.362 2.169 0 40 DEAB Cc1cc(Cl)c2c(c1)[C@@]1(NC(=O)c3cccnc3N1)C(=O)N2 84128950 AZUDOKVDXGZGJF-OAHLLOKOSA-N 314.732 2.004 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)NC[C@H]2CC=CCC2)c1 76020008 REGZKCDQXMIPBY-HNNXBMFYSA-N 315.417 2.244 0 40 DEAB Cc1cccc(OCC(=O)NCc2nnc3ccccn23)c1C 9639293 HCDISLJDRRDSRX-UHFFFAOYSA-N 310.357 2.041 0 40 DEAB Cc1cc(C)c(CNC(=O)N2CCC3(C2)OCCO3)c(C)c1 76091588 CGCHUOMZZYYNLB-UHFFFAOYSA-N 304.390 2.270 0 40 DEAB CCCS(=O)(=O)CC(=O)N(CC(F)(F)F)c1ccccc1 72287308 TWZGUICEOFBWCV-UHFFFAOYSA-N 323.336 2.407 0 40 DEAB CSCCNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97142503 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C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(N(C)C)cc1 170387522 CHAGRBGHHBRKDF-DOMZBBRYSA-N 303.406 2.386 0 40 DEAB COc1cccc(CNS(=O)(=O)c2ccc(OC)c(C)c2)c1 30290232 MLADAZGPRZZAAB-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB C/C(=C\C(=O)Nc1ccc(Cl)cc1)NCCN1CCOCC1 33939400 DGQIGADVXUSCLY-OUKQBFOZSA-N 323.824 2.104 0 40 DEAB Cc1nc2c(NC(=O)NCCN=c3cc[nH]cc3)cccc2o1 1562802020 OECZUZPTRYOBMS-UHFFFAOYSA-N 311.345 2.187 0 40 DEAB O=C(NCCN1CCOCC1)Nc1cccc2c1CCCC2 31720230 YJJWJZJHJNORIG-UHFFFAOYSA-N 303.406 2.019 0 40 DEAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 71979738 LGXFIDVHPASCFL-CYBMUJFWSA-N 307.321 2.412 0 40 DEAB O[C@@H](CNc1cncc(Br)c1)C1CCOCC1 78293629 WLUCRMQYEIIKQJ-LBPRGKRZSA-N 301.184 2.044 0 40 DEAB CO[C@@]1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC[C@H](C)C1 225634178 JZLOYPJBHGVVCM-SJCJKPOMSA-N 320.389 2.085 0 40 DEAB Cc1ccc(C(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c(-n2cnnn2)c1C 44921212 NYWQYQQCEYGIPW-QLFBSQMISA-N 323.400 2.221 0 40 DEAB Cc1cc(C(=O)NCc2nccn2CCc2ccccc2)n[nH]1 81931119 LQGNWPKYPRXEKZ-UHFFFAOYSA-N 309.373 2.087 0 40 DEAB C[C@H](NC(=O)N1CCSCC[C@H]1C)c1nnc2ccccn12 190631269 VAMUOXNZDKEPPO-NEPJUHHUSA-N 319.434 2.327 0 40 DEAB CN(C)c1ccnc(CNC(=O)c2ccc(C(F)(F)F)cc2)n1 224192778 OENOKPOZJALWFL-UHFFFAOYSA-N 324.306 2.491 0 40 DEAB O=C(CCc1nccs1)N1CCC(Cc2ncc[nH]2)CC1 329176523 MNSMSSXYJKCXEP-UHFFFAOYSA-N 304.419 2.280 0 40 DEAB O=C(Cc1cccs1)N1CCC(Oc2cnccn2)CC1 85471843 IUGSMILONORDHP-UHFFFAOYSA-N 303.387 2.151 0 40 DEAB O=C(NCC[C@@H](O)c1ccco1)c1ccc2nsnc2c1 77110972 HKDLHUCPZIHYAE-GFCCVEGCSA-N 303.343 2.138 0 40 DEAB CC1(C)C[C@@H](NCc2cc(=O)n3ccsc3n2)C(C)(C)O1 132559881 KCRITHQCRNQDNK-LLVKDONJSA-N 307.419 2.192 0 40 DEAB Cc1cc(NC(=O)Cn2ccc(-c3cccs3)n2)n(C)n1 48246307 MBEXDTFJLDZLNN-UHFFFAOYSA-N 301.375 2.292 0 40 DEAB CCn1ccc(NC(=O)[C@@]2(C)Sc3ccccc3NC2=O)n1 40774330 ITDVAISKGJRORL-HNNXBMFYSA-N 316.386 2.345 0 40 DEAB C[C@H](NC(=O)N1CCC(CCCN(C)C)CC1)[C@H]1CCOC1 96487635 CFIBVJKOKVVGAC-HOCLYGCPSA-N 311.470 2.175 0 40 DEAB CS(=O)(=O)c1cccc(OCCN(CC2CC2)C2CC2)c1 95399425 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PLAAWENGSOKAHA-QZTJIDSGSA-N 301.434 2.075 0 40 DEAB CO[C@@H]1CC[C@@H](N(C)C(=O)Cc2coc3cc(C)ccc23)[C@H]1O 257242838 IEJZPOUGNXYXHF-IIDMSEBBSA-N 317.385 2.280 0 40 DEAB Cc1cc(CC2CCN(C(=O)CCn3ccnc3)CC2)ccn1 257316056 VDYCIGQDNSJFQJ-UHFFFAOYSA-N 312.417 2.458 0 40 DEAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257243421 IGWVAWQPDZSKIN-OAHLLOKOSA-N 308.345 2.034 0 40 DEAB Cc1cc2nccc(C3CCN(Cc4cn(C)cn4)CC3)n2n1 257243189 IFVJRKTZOASCQY-UHFFFAOYSA-N 310.405 2.151 0 40 DEAB O=C(Cc1cccc(F)c1)N1CCO[C@@H](c2ccccn2)C1 257229384 FXXCCNDBKJMWGD-MRXNPFEDSA-N 300.333 2.363 0 40 DEAB Cc1cccc(N2CCC[C@H](N(C)C(=O)Cc3cccnc3)C2)n1 257233547 GPRJRZZRKFHYQI-KRWDZBQOSA-N 324.428 2.455 0 40 DEAB CC[C@H](N(C)C)N1CCc2nc(-c3ccccc3)nc(N)c2C1 255190096 UZAKITFKNHTWCE-MRXNPFEDSA-N 311.433 2.382 0 40 DEAB CC(C)[C@@H]1CN(C(=O)Cc2nc3ncccn3n2)c2ccccc21 278559600 QICAPUUUUQCORD-AWEZNQCLSA-N 321.384 2.453 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403850 PBEYQBBQUKAQFZ-MRVWCRGKSA-N 304.415 2.203 0 40 DEAB O=C(c1ccc(F)cc1F)N1CCN(CC(F)(F)F)CC1 44448741 OTRMPKJQRIYKAK-UHFFFAOYSA-N 308.250 2.285 0 40 DEAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1nnc(C)s1 44894301 NEHTYAUNYCXRGJ-VIFPVBQESA-N 314.370 2.300 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)s1 44954555 QGZJZGKVQBFBFO-LBPRGKRZSA-N 318.398 2.314 0 40 DEAB NC(=O)[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccccc1 53945022 VMPHLHYYZCEEAR-OAHLLOKOSA-N 302.761 2.225 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)c1ccccc1OCCOC 66124610 MQEDFXVTBMTHHB-AWEZNQCLSA-N 308.422 2.172 0 40 DEAB c1cc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)ccn1 69843620 DQFZNBLCKDDBIB-HNNXBMFYSA-N 313.405 2.096 0 40 DEAB Clc1cncc(N2CCC(CCN3CCOCC3)CC2)n1 71899485 VWKUTOFXYWPRGF-UHFFFAOYSA-N 310.829 2.069 0 40 DEAB Cc1cc(OCC2CCN(Cc3noc(C)n3)CC2)ccn1 1775995153 FRAFSZZSDPAVQU-UHFFFAOYSA-N 302.378 2.372 0 40 DEAB O=C(O)[C@@H]1CS[C@@H](c2cc(F)ccc2Br)N1 76438 UAVIBZFBXKULRR-IUCAKERBSA-N 306.156 2.376 0 40 DEAB Cc1nc2cc(-c3ccco3)nn2c(N2CCN(C)CC2)c1C 12743639 DJZZCICEPMXPOO-UHFFFAOYSA-N 311.389 2.358 0 40 DEAB NC(=O)c1ccc(CN2CCN(Cc3ccsc3)CC2)cc1 23248981 ZJQAICRWBPOQIJ-UHFFFAOYSA-N 315.442 2.165 0 40 DEAB O=C(CCc1c[nH]c2ccccc12)N1CCC2(CC1)OCCO2 28090628 CWGYTRJBPCUJQD-UHFFFAOYSA-N 314.385 2.466 0 40 DEAB COc1ccccc1C(=O)NCc1nnnn1C1CCCCC1 10594138 PISYQGIVKBQAMR-UHFFFAOYSA-N 315.377 2.117 0 40 DEAB CCO[C@]1(c2ccccc2)NC(=O)c2cc3c(cc21)OCCO3 12858378 VJWBGYBOXCUCSS-SFHVURJKSA-N 311.337 2.439 0 40 DEAB N#C/C(=C/c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1 12352678 ZZQHNBGRWRQWFI-GDNBJRDFSA-N 308.337 2.364 0 40 DEAB Cc1noc(C)c1CN(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 31175376 FUMARAINGBWPCM-ZDUSSCGKSA-N 324.402 2.074 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)CSc3ccccc32)n1 40472892 RODYXPNBXJEBTH-UHFFFAOYSA-N 313.382 2.467 0 40 DEAB O=C(c1cccc(-c2nnn[nH]2)c1)N1CCc2sccc2C1 40485586 XJLGYJNSJXDDJE-UHFFFAOYSA-N 311.370 2.127 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)NCCc2ccccc2)cc1 40526554 KQZNJNDDFBUAMB-UHFFFAOYSA-N 318.398 2.454 0 40 DEAB Cc1occc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 69328206 ZESOUJXVKQELFC-INIZCTEOSA-N 312.369 2.208 0 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0 40 DEAB Cc1cn2c(=O)cc(COC(=O)c3cccs3)nc2s1 21538523 XJDZIERSWNVRQG-UHFFFAOYSA-N 306.368 2.483 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)Nc1ccc(N(C)C)nc1 48091877 NHKXCYCOFRGYBW-UHFFFAOYSA-N 303.366 2.416 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H](C)n1nc(C)cc1C 110676865 AJCNHTAUCWLCBP-ZNMIVQPWSA-N 321.421 2.299 0 40 DEAB Fc1ccc(Oc2ccc3nnnn3n2)c(Br)c1 44893549 OUXKAKATYAFSMD-UHFFFAOYSA-N 310.086 2.213 0 40 DEAB CN(CCc1ccccn1)C(=O)Nc1cccnc1-n1cccn1 58291725 GWFRKJBKAZCAGQ-UHFFFAOYSA-N 322.372 2.369 0 40 DEAB COc1cccc([C@H](NC(=O)N2CCCC2)c2nccn2C)c1 44909124 LHAMAQOUFQQAHP-HNNXBMFYSA-N 314.389 2.324 0 40 DEAB COc1c(CNC[C@H](c2ccco2)N2CCCC2)c(C)nn1C 58342417 OVFGAOVLODQNLV-OAHLLOKOSA-N 318.421 2.257 0 40 DEAB O=C(Cn1nnc(-c2cccs2)n1)Nc1cc(F)cc(F)c1 10930203 SEDQNYVFFMLPOQ-UHFFFAOYSA-N 321.312 2.319 0 40 DEAB Cc1cc(NC(=O)[C@H](C)OC(=O)CCc2ccccc2)on1 10998707 VPGWYEVCJRGVEQ-LBPRGKRZSA-N 302.330 2.486 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)c1cccs1 3357278 NFAOQXWWNJBIEQ-SECBINFHSA-N 307.400 2.448 0 40 DEAB Cc1cccc(-n2nnnc2S[C@H]2CCCCNC2=O)c1C 11153984 LPLLVCUTMAAIGC-ZDUSSCGKSA-N 317.418 2.040 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)NCc3cccs3)n2)cc1 12735897 BCYATXLICXCHAN-UHFFFAOYSA-N 313.386 2.026 0 40 DEAB Cn1ccc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1=O 48353737 SQGXPCIBQZETKZ-UHFFFAOYSA-N 318.682 2.268 0 40 DEAB O=C(COc1nnc2ccccn12)Nc1c(F)cccc1F 12809637 KORFCYADLRCNFL-UHFFFAOYSA-N 304.256 2.025 0 40 DEAB COC(=O)c1ccc(COC(=O)c2ccc3c(c2)OCO3)o1 3436910 BLJBRHFRPLIJEO-UHFFFAOYSA-N 304.254 2.152 0 40 DEAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc(Cl)c1 69454752 CNDSYMCXIFVOTG-LBPRGKRZSA-N 312.822 2.333 0 40 DEAB CCOC(=O)[C@@]1(Cl)Sc2cc(OC)ccc2NC1=O 27526152 XVEVDYCVUYFQQM-LBPRGKRZSA-N 301.751 2.238 0 40 DEAB C[C@H](Sc1nncn1C)C(=O)N[C@@H](C)c1ccc(F)cc1 5126603 XRERXZMRKWCJKS-UWVGGRQHSA-N 308.382 2.312 0 40 DEAB CCOC(=O)CSCc1nc2sc(C)c(C)c2c(=O)[nH]1 5255073 NHZOHJJRFQADKU-UHFFFAOYSA-N 312.416 2.398 0 40 DEAB O=C(COC(=O)Cc1ccc(F)cc1)NCc1ccccc1 6344225 WXTKPCSIBOLMRG-UHFFFAOYSA-N 301.317 2.228 0 40 DEAB O=C(Oc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 6548189 FZSQNLDMZLUSPP-UHFFFAOYSA-N 300.266 2.406 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@@H]1COc2ccccc2O1 5631671 MEYZMCFXZZDZAR-CQSZACIVSA-N 313.353 2.330 0 40 DEAB O=C(CC1CCCCC1)NC1CCN(CCn2cccn2)CC1 66885719 LDPVFBSOMOMJLS-UHFFFAOYSA-N 318.465 2.434 0 40 DEAB Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)n2cnnn2)cc1 7071429 OJHHKYQKOYQZLB-MRXNPFEDSA-N 307.357 2.404 0 40 DEAB COc1cc(CN(CCN(C)C)Cc2cccnc2)ccc1O 22931520 JYZRGIUQWNHSQT-UHFFFAOYSA-N 315.417 2.360 0 40 DEAB Cc1cccc(OCC(=O)NC[C@H](c2ccco2)N(C)C)c1 15831462 JGTWEXNWMHBGML-OAHLLOKOSA-N 302.374 2.386 0 40 DEAB Cc1cccc(NC(=O)CN(C)CC(=O)N[C@@H](C)C(C)C)c1C 7606717 SYXWHEHOBJUNJM-HNNXBMFYSA-N 319.449 2.334 0 40 DEAB Cc1cc(NC(=O)CCN2CCN(C)c3ccccc3C2)no1 69088881 WBNLGSBXBWMJRG-UHFFFAOYSA-N 314.389 2.264 0 40 DEAB Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)Cn1cncn1)[C@@H](C)C2 96002139 PQFUNTALSOIMQC-HEHGZKQESA-N 313.405 2.208 0 40 DEAB CC(C)NC(=O)/C(C#N)=C/c1cccc(OC(F)(F)C(=O)O)c1 96295448 ZRUTWNUNALLFAV-IZZDOVSWSA-N 324.283 2.174 0 40 DEAB COC(=O)[C@H](NC(=O)/C=C\c1csc(C)n1)c1ccccc1 96256292 NHYPLVXUQNGUFB-WHLNPGIBSA-N 316.382 2.495 0 40 DEAB Cc1cccc(C)c1-n1nnnc1CN1C[C@@H](C)OC(C)(C)C1 71831049 BYRKFOJVYUIPPW-CQSZACIVSA-N 315.421 2.278 0 40 DEAB CC(C)c1nccn1CC1=NS(=O)(=O)c2ccccc2N1 97053346 FGATXSANUFQYPS-UHFFFAOYSA-N 304.375 2.219 0 40 DEAB CCCN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1C[C@@H](OCC)C1(C)C 72293421 LQPXCSSLMRMFNL-HUUCEWRRSA-N 320.433 2.441 0 40 DEAB COc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)n2C)cc1 72240546 XCLXGBRXWACKSM-CQSZACIVSA-N 316.357 2.288 0 40 DEAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)CN(C)C2CC2)C1 72253232 WPCYYXWGSSMPHW-OAHLLOKOSA-N 304.438 2.264 0 40 DEAB CCCC[C@@H](COC)NC(=O)C(=O)Nc1cc(F)cc(F)c1 72291078 VWLFOTQEQPIJLJ-LBPRGKRZSA-N 314.332 2.225 0 40 DEAB O=C1[C@H](Sc2ncnc3nc[nH]c23)CCN1c1ccccc1 72287751 LUFWXIFHFFLWIU-LLVKDONJSA-N 311.370 2.251 0 40 DEAB O=c1[nH]c2ccc(CNCc3ccc(N4CCCC4)nc3)cc2[nH]1 97106917 ULMOMMCDXILMPX-UHFFFAOYSA-N 323.400 2.141 0 40 DEAB Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2cccc(F)c2n1 97142362 DSEJYUXFVHGEKA-NSHDSACASA-N 308.378 2.306 0 40 DEAB COC(=O)CCCNC(=O)c1ccccc1N1CCCCC1 95396676 QOFPAZHWALFKDF-UHFFFAOYSA-N 304.390 2.360 0 40 DEAB CN[C@@H]1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)C1 95972583 YMNLRNQWNQUFLL-MRXNPFEDSA-N 316.426 2.336 0 40 DEAB COc1ncc(NCc2cc(F)c(F)c(F)c2)cc1C(N)=O 95992379 SVLYREFDOJQPTG-UHFFFAOYSA-N 311.263 2.219 0 40 DEAB Fc1ccc([C@@H](NCC2CCOCC2)c2ncon2)cc1F 95980672 UCJIVBCRRUBXTQ-CQSZACIVSA-N 309.316 2.453 0 40 DEAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCCSCC1 75125435 QUGSIWIICUUTIS-UHFFFAOYSA-N 304.371 2.214 0 40 DEAB C[C@@H](CS(=O)(=O)Nc1cnc(N(C)C)nc1)c1ccccc1 89645507 KXLNTVWIUMUHKG-LBPRGKRZSA-N 320.418 2.088 0 40 DEAB O=C(NCCc1nnc(-c2ccccc2)o1)[C@H](O)c1ccccc1 89853070 LKUFWNKIBFCZRR-MRXNPFEDSA-N 323.352 2.129 0 40 DEAB CC(C)c1nn(-c2ccccc2)cc1CNCCS(C)(=O)=O 62423244 JSIWCIWZDZKOCY-UHFFFAOYSA-N 321.446 2.130 0 40 DEAB C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 26402765 GKAWVNBZIPABIV-HOCLYGCPSA-N 303.406 2.086 0 40 DEAB C[C@@H](NC(=O)CSc1nc2ncccn2n1)c1ccccc1 32865481 LOQMDBWLAPEVSF-LLVKDONJSA-N 313.386 2.094 0 40 DEAB CC1=NN(C(=O)C(C)C)[C@](O)(C(F)(F)OC(F)(F)F)C1 409177964 JWWJVVATZDJNNQ-MRVPVSSYSA-N 304.215 2.068 0 40 DEAB C[C@@H](C(=O)NC[C@H]1CCCO1)N1C(=O)CCCc2ccccc21 33249767 KXENIISZQYWXRG-DZGCQCFKSA-N 316.401 2.040 0 40 DEAB O=C(NC[C@H]1CCCO1)c1cnn(-c2ccc(Cl)cc2)c1 35481161 DTLOZKLLXWVLAE-CQSZACIVSA-N 305.765 2.435 0 40 DEAB O=C(Nc1cncnc1N1CCCC1)c1cc(Cl)ccn1 180487676 DWSFSISWMIMMJB-UHFFFAOYSA-N 303.753 2.378 0 40 DEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NC1CCCC1 33002209 VHNDKNSJDXQYBC-QGZVFWFLSA-N 302.418 2.429 0 40 DEAB COc1ccc([C@H]2C[C@@H](C)N(CCN3CCOC3=O)C2)cc1 76394071 BMUVZYNYYFUUJU-HIFRSBDPSA-N 304.390 2.325 0 40 DEAB CCn1ccc(C(=O)NCCCn2ncc3ccc(C)cc32)n1 72239500 IFQIBJCCUWUKCE-UHFFFAOYSA-N 311.389 2.381 0 40 DEAB O=C(Nc1cccc(CNc2cn[nH]c(=O)c2Cl)c1)C1CC1 32857667 ISVIMPDTBNGURV-UHFFFAOYSA-N 318.764 2.384 0 40 DEAB COc1ccc(C(=O)Nc2ccc(Br)c(C)n2)nn1 72512068 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CC1CC(C(=O)N2CCC3(CCCN3CCN(C)C)CC2)C1 1565544248 GVMIGIBCCDOSJZ-UHFFFAOYSA-N 307.482 2.051 0 40 DEAB O=C(NCc1ccco1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4374109 UWRAOEAOXWSMLV-GFCCVEGCSA-N 317.320 2.023 0 40 DEAB CSc1nnc(C)c(=O)n1COC(=O)c1cc(C)cc(C)c1 4495774 DLGHMTFFXXFCFV-UHFFFAOYSA-N 319.386 2.100 0 40 DEAB CN1C(=O)c2cccc(NC(=O)Cc3ccc(F)cc3)c2C1=O 5268400 YWAISILHLFOVNE-UHFFFAOYSA-N 312.300 2.233 0 40 DEAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccc(Cl)nc1 8931685 ANYLQTOPAWIOAM-UHFFFAOYSA-N 320.761 2.365 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccccc3F)ccc21 9572720 SPJNQVDAQHOESA-UHFFFAOYSA-N 320.345 2.145 0 40 DEAB CCS(=O)(=O)N1CCCc2ccc(NC(=O)C3CC3)cc21 17316159 PPJQDGZQEQKHSY-UHFFFAOYSA-N 308.403 2.137 0 40 DEAB COc1ccccc1OCCNC(=O)NCCc1ccco1 40477802 BIWFEQDJONJRMF-UHFFFAOYSA-N 304.346 2.209 0 40 DEAB O=C(CCN1CCSC1=O)Nc1cccnc1N1CCCC1 40536423 LMXWYZAZSKMERO-UHFFFAOYSA-N 320.418 2.179 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(OC)cc1 194918 MVPWNABXZYWWAE-AWEZNQCLSA-N 320.414 2.393 0 40 DEAB COCCN1CCN(CCOc2cccc3ccccc23)CC1 70040077 YCXVKAJCKQEWKB-UHFFFAOYSA-N 314.429 2.483 0 40 DEAB CCNC(=O)c1cccc(C)c1OCC(=O)NC(C)(C)CC 69388824 FJPMIUMTMVBXTQ-UHFFFAOYSA-N 306.406 2.428 0 40 DEAB COC(=O)c1c(CC(=O)N2CCC[C@@H](C)C2)[nH]c(C(C)=O)c1C 8328911 JMRJFDZBURPNEV-SNVBAGLBSA-N 320.389 2.113 0 40 DEAB O=C(CN1CCCc2ccccc21)NCc1ccc2c(c1)OCO2 2627525 MWIURXZTDKTKFN-UHFFFAOYSA-N 324.380 2.484 0 40 DEAB CNC(=O)[C@@H](C)Sc1nnc(N2CCC(C)CC2)n1C1CC1 21700893 JSCRNJXDLLPDGQ-LLVKDONJSA-N 323.466 2.076 0 40 DEAB O=C(CSc1nnnn1C1CC1)N1CCC[C@@H]2CCCC[C@H]21 21732511 ZUTZMXSSJMDPLS-WCQYABFASA-N 321.450 2.281 0 40 DEAB Cn1ccs/c1=N\C(=O)Cc1c(F)c(F)c(F)c(F)c1F 21974035 HSCPOZXKRZVGRK-PDGQHHTCSA-N 322.258 2.452 0 40 DEAB COc1ccc(NCN2C(=O)[C@@H]3CC[C@@H](C)C[C@H]3C2=O)cc1 103121216 QNCZBNZAUAVPQB-KCPJHIHWSA-N 302.374 2.486 0 40 DEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1cccc(Cn2cccn2)c1 103527431 XXHYBVJGODYPRP-HZPDHXFCSA-N 307.353 2.387 0 40 DEAB O=C(C[C@@H]1[C@@H]2CN(Cc3ccncc3)C[C@@H]21)NCc1ccco1 107745971 XNFAYSJXINVGIJ-BJWYYQGGSA-N 311.385 2.059 0 40 DEAB Cn1/c(=N\C(=O)CNC(=O)OC(C)(C)C)sc2ccccc21 104147328 YERPNVSTFIPANH-GHRIWEEISA-N 321.402 2.192 0 40 DEAB O=C(CN1CCCCCC1=O)NCCc1cccc(Cl)c1 23228768 JDHYRWZJUZIDQY-UHFFFAOYSA-N 308.809 2.401 0 40 DEAB COCCC(=O)N1C[C@H]2CN(Cc3ccc(Cl)cc3)[C@H]2C1 107798220 DUOMFXIYPSCYKN-HIFRSBDPSA-N 308.809 2.019 0 40 DEAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NC[C@H]2CCCO2)cc1C 22540600 ZJBJRFPHLMXNCI-HUUCEWRRSA-N 318.417 2.084 0 40 DEAB Cc1cc(CN(CCCn2ccnc2)Cc2ccncc2)n(C)n1 55061220 XMRFWFPBIGCBLF-UHFFFAOYSA-N 324.432 2.413 0 40 DEAB CC(C)n1nc2c(cc1=O)CN(c1cnc3ccccc3n1)CC2 76064331 NUTVEFLBRVVTHR-UHFFFAOYSA-N 321.384 2.330 0 40 DEAB CC(C)CN(Cc1cccc(Cl)c1)C(=O)[C@@H]1C[C@@H](O)CN1 55386936 MVPQZSAXKQHUIG-CABCVRRESA-N 310.825 2.047 0 40 DEAB CN1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106670080 UTZNLINXLXEHKU-WNRNVDISSA-N 319.493 2.051 0 40 DEAB Cc1ccccc1C1(CNC(=O)[C@@H]2CCCO2)CCOCC1 55760704 RLYZWVJAKXHSMN-INIZCTEOSA-N 303.402 2.338 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)C(=O)NCc2ccco2)C1 106902825 HMQUZIGMGWHIHE-JHJVBQTASA-N 307.394 2.162 0 40 DEAB Cn1cc(C(=O)NCc2ccc(Br)s2)cn1 25473852 LHIREUBLJPSHLT-UHFFFAOYSA-N 300.181 2.174 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NC[C@H](C)Cn2cccn2)C12CCC2 107507729 TUGDBSSQJTYKEP-RRFJBIMHSA-N 320.437 2.166 0 40 DEAB O=C1[C@@H](n2c(=O)sc3ccccc32)CCN1CC(F)(F)F 78967232 MKVLTNNLJBRUHC-VIFPVBQESA-N 316.304 2.399 0 40 DEAB O=c1oc2ccc(Cl)cc2n1CN1CCO[C@H]2CCC[C@@H]21 57100674 DHHXWDXQCJHIMR-AAEUAGOBSA-N 308.765 2.459 0 40 DEAB CCOc1ncccc1C(=O)OCC(=O)NCc1cccs1 3246831 KZLZBLBHLMAPOK-UHFFFAOYSA-N 320.370 2.015 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccncc1)C(=O)NCc1cccs1 58161457 YFJOLZWDKJFBHU-CQSZACIVSA-N 317.414 2.214 0 40 DEAB Cc1nc(C2CC2)nc2sc(C(=O)O[C@H](C)C(N)=O)c(C)c12 44941200 UJNMNUXWOJRDAC-MRVPVSSYSA-N 319.386 2.216 0 40 DEAB O=C(NCc1ccc(N2CCOCC2)nc1)C1CCCCC1 11126356 LMYBHTBCQUEQPG-UHFFFAOYSA-N 303.406 2.115 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)N1CCCCCC1 36799493 PGAPCHHUNXHLMR-UHFFFAOYSA-N 304.390 2.218 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1 48262850 WVSXFYDQTVSKAH-LBPRGKRZSA-N 309.410 2.185 0 40 DEAB CCCC(=O)NC1CCN(Cc2nc(-c3ccco3)no2)CC1 48286815 JVNIIGMBVFZVAJ-UHFFFAOYSA-N 318.377 2.210 0 40 DEAB COCCOc1ccc(CNC(=O)CCc2ccsc2)cn1 48391720 HHFIQCKYUKPUAS-UHFFFAOYSA-N 320.414 2.417 0 40 DEAB CNC(=O)COc1ccc(CNCc2ccc(F)cc2)cc1 48781851 JBCQNLLHHAMUIG-UHFFFAOYSA-N 302.349 2.240 0 40 DEAB CC1(C)CN=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2C1 13132844 AYROBRVAGZMEQE-KPKJPENVSA-N 306.818 2.051 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)c2ccsc2)CC1 69625927 KGIHYQPALFQCDF-UHFFFAOYSA-N 318.446 2.313 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)CCc2cccc(Cl)c2)CC1 69920799 SUTLRKJTCXZZSS-MRXNPFEDSA-N 324.852 2.188 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 70666377 HPVJYDOAPSFAGJ-GJZGRUSLSA-N 312.369 2.409 0 40 DEAB biogenic C/C=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)c(OC)c1 6402160 KPUXWZLHZADZFX-LYKUJDHUSA-N 305.374 2.402 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@@H](n3cccn3)C2)CC1 65611222 IHEAZOOFKKUIMM-QGZVFWFLSA-N 318.465 2.415 0 40 DEAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NCc1ncnn1C 80158406 CBRVOTDHOKBFFW-MEBBXXQBSA-N 317.368 2.077 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cnccn2)c1C 7550083 DRMRRXOIODCLNA-LLVKDONJSA-N 315.329 2.052 0 40 DEAB COC(=O)CCCNC(=O)c1cccc(Br)c1 16011125 MVMAXECTERRDLM-UHFFFAOYSA-N 300.152 2.132 0 40 DEAB NC(=O)c1oc2ccccc2c1NC(=O)c1cn2ccccc2n1 68536192 RROUPQUVMRATHT-UHFFFAOYSA-N 320.308 2.432 0 40 DEAB CSc1ccc(CN(C)CC(=O)NC[C@H]2CCCO2)cc1 16378518 FFNOTKNESNMOTQ-CQSZACIVSA-N 308.447 2.136 0 40 DEAB Cc1ccccc1-c1noc(CSc2nc(N)cc(=O)[nH]2)n1 8012860 KDSKEXKKYPBZAA-UHFFFAOYSA-N 315.358 2.003 0 40 DEAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1ccccc1 8142131 ZROOXRPQRZSBMS-NSHDSACASA-N 317.414 2.306 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)c1cn(C)c2ccccc12 8170872 AIDJODSSKIYJMA-ZDUSSCGKSA-N 320.414 2.203 0 40 DEAB biogenic CC(C)(C)OC(=O)N1CCC2(CC[C@H]3ON=C(C(=O)O)[C@H]32)CC1 91302911 VNDVOVRRHZDSJC-MNOVXSKESA-N 324.377 2.253 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(Cc1ccc(OC)cc1)CC2 93614144 NSVMRWNXWCNYGE-SJORKVTESA-N 305.418 2.447 0 40 DEAB C[C@H]1CCC[C@@H](OCC(=O)NCc2ccccc2OCCO)C1 79067043 SWYAKMLTQQJSRF-GOEBONIOSA-N 321.417 2.269 0 40 DEAB Cc1cccnc1N[C@]1(C(F)(F)F)N=C2SCCN2C1=O 19857389 WMVAZXKYNQWDAK-NSHDSACASA-N 316.308 2.006 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1cccc(Cl)c1 71830125 AKPYPOZYYPNKKR-NEPJUHHUSA-N 324.808 2.221 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)N(C)[C@H](C)c1ccncc1 71829892 VRKKSBVVFIBARZ-VXGBXAGGSA-N 301.346 2.013 0 40 DEAB Cc1cc(C(=O)NCC2CCN(CCN(C)C)CC2)c(C)s1 71905643 RMXISQKWWCMNJP-UHFFFAOYSA-N 323.506 2.368 0 40 DEAB C[S@](=O)c1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1 83990360 WFSDGYMYLSYCCG-JLCFBVMHSA-N 321.446 2.126 0 40 DEAB Cc1[nH]c(SCc2nc3nccc(C)c3[nH]2)nc(=O)c1C 97098652 KINIEOGNTZQCJQ-UHFFFAOYSA-N 301.375 2.259 0 40 DEAB Cc1cc(NC(=O)N2C[C@@H](O)C[C@@H]2C2CCCCC2)n(C)n1 72285606 OAAZXZKHPHNEPO-UONOGXRCSA-N 306.410 2.276 0 40 DEAB C[C@H](OC[C@@H]1CCCO1)C(=O)Oc1ccc(-n2cccn2)cc1 72292745 HGZWQHVADYCZBZ-BBRMVZONSA-N 316.357 2.362 0 40 DEAB CC(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)s1 97137558 KMBXXYBJZMNPTO-SNVBAGLBSA-N 312.460 2.475 0 40 DEAB Cc1cnn(-c2ccc(C(N)=O)cc2NCc2ccccn2)c1 97375079 FPRPMSMBJJKEOD-UHFFFAOYSA-N 307.357 2.287 0 40 DEAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)NC1CCC(O)CC1 84640684 SYKBCZWCQVBTRJ-YGONEPDPSA-N 306.406 2.268 0 40 DEAB CN(C)C(=O)c1ccc(CNc2cccc(-c3nc[nH]n3)c2)[nH]1 95437439 NBJJKYKUIXFTEI-UHFFFAOYSA-N 310.361 2.114 0 40 DEAB CC(C)(CO)NC(=O)Nc1cc(F)cc(Br)c1 95410928 OZTXXPLQQHLAAQ-UHFFFAOYSA-N 305.147 2.481 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NC[C@@H](N)c1ccccc1 95432029 OWYMTACHAHRALX-CQSZACIVSA-N 308.378 2.112 0 40 DEAB CCCCN1CCc2ccc(NC(=O)[C@H](C)NC(C)=O)cc21 95415692 QPTQJVUVJUNOAI-LBPRGKRZSA-N 303.406 2.312 0 40 DEAB CC(=O)Nc1cccc(NC(=O)NCc2cnn(C)c2C)c1 95976245 SFPBLAGAAGIFBT-UHFFFAOYSA-N 301.350 2.009 0 40 DEAB CCN(CC)C(=O)C[C@H](C)NC[C@H]1COC2(CCCCC2)O1 95988211 JFKNJCLWXUNKFM-GJZGRUSLSA-N 312.454 2.299 0 40 DEAB CO[C@@]1(C)C[C@H](NC(=O)N(CC(C)(C)O)C(C)C)C1(C)C 95973339 UVTKLXHBMLUIRY-LRDDRELGSA-N 300.443 2.381 0 40 DEAB Cn1cc(CC(=O)NCc2nnc3ccccn23)c2ccccc21 65857979 QFYMVMPPJBIUGV-UHFFFAOYSA-N 319.368 2.080 0 40 DEAB CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CCCOC)c2)n1 71931296 XKJIAZYLWFLZET-UHFFFAOYSA-N 315.373 2.364 0 40 DEAB CC(C)(C)[S@@](=O)CCNC(=O)C1=NO[C@@H](c2ccccc2)C1 79001914 XROQZPBOUAYDLM-JLCFBVMHSA-N 322.430 2.167 0 40 DEAB CSc1nnc(C)n1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 33737185 HRWMDHPVWWLFKT-VOTSOKGWSA-N 319.346 2.000 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71283217 PCFIVNWKLOUZOP-SNVBAGLBSA-N 303.366 2.231 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1CN1CCOCC1 71896628 CAAPPLBSBPXYLR-KRWDZBQOSA-N 320.408 2.082 0 40 DEAB Cc1cc(C(=O)NCc2cccc(F)c2)nc(N2CCCC2)n1 72241130 MIGFNUYRVJCBPB-UHFFFAOYSA-N 314.364 2.454 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2cccc(C)c2)C1 40160951 CBCJVFADQNVQIL-AWEZNQCLSA-N 305.374 2.176 0 40 DEAB CC1(C)CCC(S(=O)(=O)N2CC[C@H](N3CC=CC3)C2)CC1 195579942 WSXHPIUAFHSQNR-AWEZNQCLSA-N 312.479 2.231 0 40 DEAB Cc1ncsc1CN(C)S(=O)(=O)c1cncc(Cl)c1 195545562 GYJMBZGKXGWSCS-UHFFFAOYSA-N 317.823 2.321 0 40 DEAB Cc1ccc2nc(=O)c(C(=O)NCC3CCCCC3)c(O)n2c1 226822248 KOANNRHLAPDHJJ-UHFFFAOYSA-N 315.373 2.019 0 40 DEAB CC(C)CN1CC[C@]2(COCc3cnc(NCC4CC4)nc32)C1 96244108 RZEYEOOOVAKSOF-GOSISDBHSA-N 316.449 2.428 0 40 DEAB CC[C@@H](CNC(=O)c1cn(C)nc1C)Oc1ccccc1F 96451726 QSXSNEUFCWYSOQ-LBPRGKRZSA-N 305.353 2.455 0 40 DEAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1nccs1 96197853 UGMGXHBNBGGYMN-CQSZACIVSA-N 318.446 2.495 0 40 DEAB Cc1ccc(C(=O)N2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)o1 96053825 QGVNBAXIXLCOND-GASCZTMLSA-N 311.385 2.187 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2c2ccccn2)cc1 95698938 YBLIGQCCDDTNMG-GJZGRUSLSA-N 302.355 2.290 0 40 DEAB CSc1ccc(CNC(=O)CN(C)[C@@H]2CCSC2)cc1 95449133 JPURZZBIDAXMJC-CYBMUJFWSA-N 310.488 2.462 0 40 DEAB c1cc(NCC2CC2)nc([C@H]2COCCN2Cc2ccoc2)n1 96219594 ZMWVGKBRPVDXNO-OAHLLOKOSA-N 314.389 2.465 0 40 DEAB O=C(NCCCO[C@@H]1CCOC1)NC[C@@H]1C[C@@H]1c1ccccc1 96461960 UBTGRTZTSPYSBX-GVDBMIGSSA-N 318.417 2.285 0 40 DEAB O=C(NCc1ccsc1)NC1CCN(C[C@H]2CCOC2)CC1 96413071 LPSBNDJUSGNIME-CQSZACIVSA-N 323.462 2.048 0 40 DEAB COC(=O)[C@H](NCC(=O)Nc1cc(F)ccc1F)C(C)(C)C 96461341 HZUIFZBXXGHGDF-ZDUSSCGKSA-N 314.332 2.081 0 40 DEAB c1cncc(CO[C@H]2[C@H]3CC[C@H]2N(C2CCOCC2)CCO3)c1 247923715 CVRWZMICQVUWHQ-KZNAEPCWSA-N 318.417 2.009 0 40 DEAB O=C(O)[C@@H]1[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccccc1 242425524 BNHOMUKBBPCQMG-RBSFLKMASA-N 320.341 2.466 0 40 DEAB CCN(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N 249696760 TVSXZBNHJPRRAT-UAGQMJEPSA-N 303.450 2.283 0 40 DEAB Cc1cncc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)n1 257276530 NUDSRRUZPRSGJK-HNNXBMFYSA-N 309.373 2.430 0 40 DEAB O=C(CC1(O)CCCCC1)N1CCC[C@H](Cc2ccn[nH]2)C1 257226329 FKFRAVDCOINQDY-CQSZACIVSA-N 305.422 2.276 0 40 DEAB O=C1CO[C@H]2CCN(Cc3ccc4ccccc4c3)CC[C@@H]2N1 257324458 WOTIVAMRMKDYSS-ROUUACIJSA-N 310.397 2.319 0 40 DEAB NNc1ccc2cc(-n3cnc(-c4ccccc4)n3)c(=O)oc2c1 255186921 ABSIPPATDCHNNH-UHFFFAOYSA-N 319.324 2.326 0 40 DEAB CCn1cc(CNCc2ccn(CC(F)(F)F)n2)c(C)n1 256052028 LPEIPSFBFWYTNF-UHFFFAOYSA-N 301.316 2.260 0 40 DEAB Cn1nc(CNC(=O)c2cc3ccccc3oc2=O)cc1C1CC1 96099326 LBWFRMLUUJUVLN-UHFFFAOYSA-N 323.352 2.334 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(N2CCCC2)nc1 48082714 KHIWTNVLHCUFOV-ZDUSSCGKSA-N 314.393 2.089 0 40 DEAB CCNC(=O)[C@H]1CCCN(C(=O)N[C@H](C)c2cccc(F)c2)C1 58265135 VDWKZSZWGRDOGD-OCCSQVGLSA-N 321.396 2.444 0 40 DEAB OCCN(Cc1csc(-c2ccc3c(c2)OCO3)n1)C1CC1 69322267 KBYGHMMYVUWKQB-UHFFFAOYSA-N 318.398 2.496 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)NCCc1nccs1 69351598 HGQGULCRJWQBNL-UHFFFAOYSA-N 316.835 2.459 0 40 DEAB N[C@H]1CN(C(=O)NCc2ccc3cccnc3c2)CC12CCC2 1550749167 KUFQPKHMPSSVQT-INIZCTEOSA-N 310.401 2.258 0 40 DEAB CC[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)C1CCOCC1 74415034 ZKAFPDXPMISBFO-HNNXBMFYSA-N 319.401 2.322 0 40 DEAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)C2CCCCC2)CC1 85468097 GTKFZMYSOMHOQU-MRXNPFEDSA-N 321.509 2.441 0 40 DEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccccc2)CC1 5592139 NASRNTBZGAADPJ-CYBMUJFWSA-N 305.374 2.256 0 40 DEAB COC(=O)[C@H](C)OC(=O)c1c(C)nn(-c2ccccc2)c1C 12789230 TZANOMPQFNWGMS-LBPRGKRZSA-N 302.330 2.207 0 40 DEAB COC1CCN(C2CN(C(=O)CCc3sccc3C)C2)CC1 575605045 GGLCNKAPENMVBI-UHFFFAOYSA-N 322.474 2.311 0 40 DEAB Cc1cn(CC(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc12 50297474 UENDANXVPQPGQD-GOSISDBHSA-N 321.380 2.293 0 40 DEAB C[C@H]1CN(C(=O)Nc2cccc(-c3nnco3)c2)C[C@@H](C)O1 40526941 IQCPUTXEQVNNEZ-PHIMTYICSA-N 302.334 2.378 0 40 DEAB CCC[C@@]1(C)NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O 51373837 PBYZTHLQKBEKBZ-IUODEOHRSA-N 310.781 2.484 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C)C2)cc1 16642557 XNZZYKBPKQFEIJ-CYBMUJFWSA-N 324.446 2.245 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)NCc1cccc(OC(F)F)c1 51673824 RQCKNRXHIQXTND-LLVKDONJSA-N 324.331 2.372 0 40 DEAB CNC(=O)c1cccc(NC(=O)CCc2c(C)noc2C)c1 9053459 LBULLNPHLSZVTL-UHFFFAOYSA-N 301.346 2.222 0 40 DEAB C[C@@]12N=NC[C@H]1C(=O)N(c1cccc(Br)c1)C2=O 4783793 HMDJQUYFABGKBN-JOYOIKCWSA-N 308.135 2.163 0 40 DEAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3)c2N)cc1 4985002 OBCRGYBQMGFHIA-UHFFFAOYSA-N 323.356 2.419 0 40 DEAB O=C(CNC(=O)Cc1cccc2ccccc12)NCc1ccco1 8180706 DWIBVTNSABDWSL-UHFFFAOYSA-N 322.364 2.408 0 40 DEAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCO[C@H](C)C2)no1 37191862 AOKFJVKKUHNDNC-CJNGLKHVSA-N 315.373 2.384 0 40 DEAB CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1cncc(Cl)c1)C2 108536611 MUVJEMMNVKZFFE-ZBFHGGJFSA-N 307.825 2.473 0 40 DEAB O=C1COc2cc(NC(=O)c3cccnc3)c(Cl)cc2N1 33193732 HLORWMCGSYAGJV-UHFFFAOYSA-N 303.705 2.318 0 40 DEAB CC1(C)NC(=O)N(Cc2ccc(F)cc2Br)C1=O 22019391 CMAJKBFURJWUCR-UHFFFAOYSA-N 315.142 2.419 0 40 DEAB C[C@@H](C(=O)NCc1ccnc(OC2CCCC2)c1)n1cccn1 46853285 ONUVJDAOCBPTAX-ZDUSSCGKSA-N 314.389 2.477 0 40 DEAB CCN(c1cccnc1)S(=O)(=O)c1cccc2nsnc12 57875007 IZXRLVZZPPRIDI-UHFFFAOYSA-N 320.399 2.302 0 40 DEAB Cc1nc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)cs1 69369046 IZLVNUIUOCOKJA-QWRGUYRKSA-N 324.450 2.040 0 40 DEAB C[C@@H]1CCN(C(=O)CN2CSCC2=O)c2ccccc2S1 24585126 ZIWORDJFQRKURK-LLVKDONJSA-N 322.455 2.437 0 40 DEAB COc1ccc(NC(=O)c2ccc(F)cc2-n2cnnn2)cc1 12389996 NUWIBDACAQMHQY-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB COc1ccccc1[C@@H](NC(=O)[C@@H](C)SC)c1nccn1C 42855615 WVBBCVZACIOOTI-BXUZGUMPSA-N 319.430 2.386 0 40 DEAB COc1cc2c(cc1OC)[C@H]1CC3=C(CCCN3)C(=O)N1CC2 1394970 MQPMPGZUUSPQCT-OAHLLOKOSA-N 314.385 2.171 0 40 DEAB O=C(NCc1nc(C2CC2)no1)C1(c2ccc(F)cc2)CC1 55714469 JESZOZOZDXOOSO-UHFFFAOYSA-N 301.321 2.434 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](C(C)C)N1CCCC1=O 107150105 SQCOKGUQFVOTCN-GUTXKFCHSA-N 312.479 2.424 0 40 DEAB CC1=NN(C(=O)COc2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 59192161 CQHOODFYOHUVIB-LBPRGKRZSA-N 320.242 2.064 0 40 DEAB Cc1ccc(-n2c(=S)[nH]cc(CC(=O)O)c2=O)cc1Cl 20156340 YLXWIAFRKJQXPK-UHFFFAOYSA-N 310.762 2.484 0 40 DEAB O[C@@H](COCc1ccccc1)CSc1nnc2ccccn12 58171411 XQOWYFQHXHCXDH-AWEZNQCLSA-N 315.398 2.399 0 40 DEAB O=C(NCc1ccco1)Nc1cccc(N2CCNC2=O)c1 47893963 IYORKVQRYRMRGM-UHFFFAOYSA-N 300.318 2.131 0 40 DEAB Cc1noc(CS(=O)(=O)Cc2c(F)cccc2Cl)n1 44938132 MSDPTDVXNDCSHH-UHFFFAOYSA-N 304.730 2.286 0 40 DEAB COc1ccc([C@@H](C)NC[C@@H]2CNc3ccnn3C2)c(OC)c1 58312056 ALJBSDIEGAYEIP-CHWSQXEVSA-N 316.405 2.293 0 40 DEAB COC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccco2)c1 48326138 OSCKAHXGCKREAG-LLVKDONJSA-N 303.314 2.322 0 40 DEAB CCOc1ccc(OC[C@H](O)CN2CCCC[C@H]2CCO)cc1 3456651 VSONKLRWXJMQQO-JKSUJKDBSA-N 323.433 2.062 0 40 DEAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 69489121 OBZYKCOEIKTQHP-RYUDHWBXSA-N 324.808 2.140 0 40 DEAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2CC(=O)O)cc1 62715986 NTVBZRPUZZNKQM-MRXNPFEDSA-N 312.325 2.346 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCc2cnc(N3CCCC3)nc2)c1 69463770 LUXKYSZNDKPHBF-GJZGRUSLSA-N 314.437 2.321 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1ccccc1OC)c1ccccc1 69509083 NLOZUIFLJQQZLO-QGZVFWFLSA-N 313.353 2.268 0 40 DEAB O=C(NCCc1ccc(I)s1)C1CC1 69529528 DSKWBIHSZKHWPC-UHFFFAOYSA-N 321.183 2.421 0 40 DEAB Cc1nc([C@@H](NC(=O)c2cc(C(C)C)[nH]n2)c2ccccc2)n[nH]1 69581003 OIGFWEYSCSXYRR-HNNXBMFYSA-N 324.388 2.479 0 40 DEAB COCCCN1CCC(NC(=O)/C=C/c2ccccc2)CC1 69538414 ZWNDJLKMBPVBMK-CMDGGOBGSA-N 302.418 2.317 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)CCn2c(=O)oc3ccccc32)C1 17244236 ZIHNRUZZCPVVSC-BETUJISGSA-N 302.374 2.489 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1CC 69895024 URLQUPNHIWCSBF-STQMWFEESA-N 308.451 2.189 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Cc1cn(C)c2ccccc12)C(=O)O 49753805 VQPXKTTYHPYENE-ZBEGNZNMSA-N 302.374 2.336 0 40 DEAB O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccccc2F)CC1 6258598 AAZGPJMTEMNBRH-INIZCTEOSA-N 320.408 2.333 0 40 DEAB Cc1cc(C)cc(NC(=O)COC(=O)c2c(C)[nH]sc2=N)c1 14077047 AJIBCMGSIUFJHS-UHFFFAOYSA-N 319.386 2.276 0 40 DEAB C[C@@H](NC(=O)CSc1nnnn1C1CC1)c1cccs1 14121762 XZGMZQWCLRZUPW-MRVPVSSYSA-N 309.420 2.039 0 40 DEAB COc1ccc(CNc2nnc(S[C@@H](C)C(N)=O)s2)cc1 8775545 JRCZZEQPPSOZQT-QMMMGPOBSA-N 324.431 2.125 0 40 DEAB CCC(CC)NC(=O)CCn1cnc2c(C)cccc2c1=O 8772230 KHBXRQZOPNJWDO-UHFFFAOYSA-N 301.390 2.400 0 40 DEAB O=C(O)c1csc(S(=O)(=O)Nc2ccccc2F)c1 15243275 OJZLBSMKWBJJSR-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB Cn1ccc(NC(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)n1 18949018 NUOJDNDILRILBB-NSCUHMNNSA-N 319.748 2.497 0 40 DEAB Cc1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1C 67317161 GJSWWYPUQYESTF-UHFFFAOYSA-N 321.380 2.330 0 40 DEAB CCc1c(C(=O)N[C@H]2CCN(C(C)C)C2)[nH]c(C)c1C(C)=O 70854972 PZCUKESITFCBTP-ZDUSSCGKSA-N 305.422 2.301 0 40 DEAB O=C(CSc1cccc[n+]1[O-])Nc1cccc2nsnc12 19079991 UONRISPLBJIXLJ-UHFFFAOYSA-N 318.383 2.056 0 40 DEAB c1cncc(CNCC2(CN3CCOCC3)CCCCC2)c1 80593634 JDTQZBJSRBROMO-UHFFFAOYSA-N 303.450 2.454 0 40 DEAB Cc1nc(N(C)CC(=O)N(C)C)c2c3c(sc2n1)CCC3 7981570 FGESSGHPLSWZNB-UHFFFAOYSA-N 304.419 2.013 0 40 DEAB CC(C)Cn1cc(NS(=O)(=O)c2ccc(Cl)nc2)cn1 96435765 LGEZPMJHDZLZGK-UHFFFAOYSA-N 314.798 2.388 0 40 DEAB CCCSCC(=O)NCC1(N2CCCCC2)CCOCC1 71893346 ZQOHVZIFSDNJME-UHFFFAOYSA-N 314.495 2.281 0 40 DEAB c1ccc(CCn2cnc3c2CCN(c2cnccn2)C3)cc1 97086068 YYTMUTIVRMSDFB-UHFFFAOYSA-N 305.385 2.479 0 40 DEAB Cc1nccn1CCCCNC(=O)[C@H]1CCCN1C1CCCC1 84290844 HKNHQLUWBCETFB-QGZVFWFLSA-N 318.465 2.495 0 40 DEAB C[C@@H]1CN(Cc2cccc(C(N)=O)c2)c2ccccc2N(C)C1=O 72485128 ZUTXXBPCDMZAQY-CYBMUJFWSA-N 323.396 2.405 0 40 DEAB CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 84597528 URUURPTULLELIN-CHWSQXEVSA-N 306.410 2.087 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N[C@@H](CO)c2ccco2)cn1 95412110 NJJASCRMRDCWNQ-LBPRGKRZSA-N 324.402 2.392 0 40 DEAB CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cccn1C 95434671 JDYLBJOGJDAWSS-CYBMUJFWSA-N 320.414 2.007 0 40 DEAB Cc1nc(C)c(-c2nc(CC(=O)NCc3ccccc3)no2)o1 95468588 ZPJMATSHZIUHAQ-UHFFFAOYSA-N 312.329 2.200 0 40 DEAB N[C@H]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 85357798 NCLFDRWXJXSAIO-JSGCOSHPSA-N 307.825 2.116 0 40 DEAB CO[C@@H]1CCCC[C@H]1NC(=O)N1CCc2ccccc2[C@@H]1CO 95966611 DXLDUSXROALOGV-IXDOHACOSA-N 318.417 2.245 0 40 DEAB CN(Cc1nccn1C)[C@H](CO)c1cccc(Br)c1 95980923 ZNEBARJDCJAYFU-CYBMUJFWSA-N 324.222 2.348 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)N1CCOc2ncccc21 75094038 SHTFDNGSLDXQBC-UHFFFAOYSA-N 308.334 2.117 0 40 DEAB CCCC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1cccc(C)c1 75106098 FKXAPYRNOCCZMZ-GOEBONIOSA-N 318.417 2.280 0 40 DEAB Cc1nccn1CCCN(C)Cc1nc(-c2ccco2)no1 89735653 YTYOXMCEQIKRBJ-UHFFFAOYSA-N 301.350 2.357 0 40 DEAB O=C(NC[C@H](O)C(F)(F)F)[C@H]1SCCc2sccc21 89885371 RFOLRMNBZRCSBO-IUCAKERBSA-N 311.350 2.118 0 40 DEAB CCN(CC)C(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241305 FUJDIPBZVZXHBP-LSDHHAIUSA-N 324.808 2.107 0 40 DEAB CCN(C(=O)c1ccc2c(c1)CCCC2)[C@H](C)CS(C)(=O)=O 79033960 RTPXDFFDLJYIMH-CYBMUJFWSA-N 323.458 2.461 0 40 DEAB CC(C)CNC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CC=CCC2)C1 78122181 YQESOKPRRJVNAL-HUUCEWRRSA-N 307.438 2.289 0 40 DEAB O[C@H](CNc1cncc(Br)c1)C1CCOCC1 78293631 WLUCRMQYEIIKQJ-GFCCVEGCSA-N 301.184 2.044 0 40 DEAB O=C1[C@H]2N=NN(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 33274035 AVMKASCZLYCTCM-UONOGXRCSA-N 310.288 2.324 0 40 DEAB COc1ccc(CNC(=O)c2cc3c([nH]c2=O)CCCC3)cc1 49551324 SIBBOOFTEMJHOF-UHFFFAOYSA-N 312.369 2.192 0 40 DEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2C)cc1 42645946 QSKOGCQZLAKDAQ-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB O=C(Cc1cccs1)NCC1CCN(c2ncccn2)CC1 43976801 AJSRITUXYRIRMD-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB Cc1nn(C)c2nccc(N3CC[C@](C(=O)O)(C(C)C)C3)c12 574456070 LBMZHEMBQFZOBN-MRXNPFEDSA-N 302.378 2.214 0 40 DEAB CN(c1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 223860229 ZNXWCVJMTFPSJM-UHFFFAOYSA-N 322.430 2.313 0 40 DEAB O=C(Cc1ccc(F)cc1F)N[C@@H](C(=O)O)c1ccccc1 195537957 BTFRZCGYPUONEJ-OAHLLOKOSA-N 305.280 2.449 0 40 DEAB CC(C)n1cc(CN2CCSC[C@H]2c2cnn(C)c2)cn1 191739458 CJELEAWPACUSRC-HNNXBMFYSA-N 305.451 2.488 0 40 DEAB C[C@@]1(NC(=S)Nc2ccccc2Cl)CCS(=O)(=O)C1 48417009 AKHPCJWSXWYJLY-GFCCVEGCSA-N 318.851 2.204 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 222991646 DKRXKFDEBZPWOV-KBPBESRZSA-N 303.387 2.294 0 40 DEAB CN(C[C@H]1CCCC[C@@H]1O)C(=O)NCc1cn2ccccc2n1 195554240 OJZKYZYYVNGBEV-HIFRSBDPSA-N 316.405 2.027 0 40 DEAB c1coc(CN2CCOC[C@]3(CC[C@H](CN4CCCC4)O3)C2)c1 96052323 FKQGPLZKGBJISZ-MSOLQXFVSA-N 320.433 2.125 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1nc(C(F)(F)F)ccc1=O 96484290 NTWIABVTAQQJST-NXEZZACHSA-N 317.311 2.052 0 40 DEAB CN(C1CC1)[C@@H]1COC2(CCN(Cc3nccs3)CC2)C1 96074185 ONZONXGNXVNSSS-AWEZNQCLSA-N 307.463 2.361 0 40 DEAB Cc1cc(C)c(C(=O)Nc2cnccc2N2CCOCC2)o1 97102560 WIEXPRBSIGMOLH-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB COCCN1CCC2(CCCN(C(=O)c3cccnc3)C2)CC1 96063029 JFCXYUOGJRMYNW-UHFFFAOYSA-N 317.433 2.046 0 40 DEAB CCOC(=O)C(C(=O)OCC)c1ccnc(Br)c1 143360156 RIHUXTHFFOGHJT-UHFFFAOYSA-N 316.151 2.054 0 40 DEAB CNC(=O)Cc1noc(CSc2nc3ccccc3s2)n1 96455676 UYGLTQDUUNEJGD-UHFFFAOYSA-N 320.399 2.260 0 40 DEAB COC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(C)cc1 96082694 ACNNPAOLVJTRKB-YESZJQIVSA-N 303.402 2.190 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H]1c1ccc(Cl)cc1 95431463 KMNJDMIWYKBKQY-GXFFZTMASA-N 309.797 2.321 0 40 DEAB Cc1ccc(N2CC[C@H]3[C@@H]2CCN3C(=O)c2occc2C)nn1 96064070 MDLOVUUQVAZBKT-KBPBESRZSA-N 312.373 2.180 0 40 DEAB Cn1ccc(C(=O)N[C@@H]2CCC23CCN(CC2CC2)CC3)c1 96051728 PEVCKBBOFWVAJW-MRXNPFEDSA-N 301.434 2.410 0 40 DEAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccccn2)COC1 96112599 NEWXCUNMEHBLMY-ZDUSSCGKSA-N 322.368 2.241 0 40 DEAB biogenic,in-vitro C[C@H](CNC(=O)N[C@H]1CC(C)(C)OC1(C)C)Cn1cccn1 96496827 HFEPNSGMWIMPTB-OLZOCXBDSA-N 308.426 2.165 0 40 DEAB O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@@H]1[C@@H]1CCNC1 333783192 DYUPTYPURDGNIQ-CZUORRHYSA-N 312.417 2.096 0 40 DEAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccoc1 96045338 QGNYSEPFEWOEHF-OAHLLOKOSA-N 302.378 2.027 0 40 DEAB Cc1cccc(CN2CC3(CC[C@@H](CN4CCCC4)CO3)C2)n1 247886684 TYSYNEKNGPXNIQ-KRWDZBQOSA-N 315.461 2.467 0 40 DEAB CCCn1ccc(C(=O)N2CCC[C@H]2c2cncc(NC)n2)n1 257293937 QRTPWBZDVHFEFX-AWEZNQCLSA-N 314.393 2.102 0 40 DEAB CN1CCC(N(C)Cc2cnc([C@H]3CCCCO3)nc2)CC1 257340655 ZHBGVONKZZNDPF-MRXNPFEDSA-N 304.438 2.244 0 40 DEAB CC(=O)N1CCN(CC2CCOCC2)[C@@H](c2ccccc2)C1 257269712 MRBKPOJQKGXPNZ-GOSISDBHSA-N 302.418 2.318 0 40 DEAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1cc2ccccc2o1 257215154 COYFGEHBCILTHS-GOSISDBHSA-N 322.368 2.199 0 40 DEAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCC[C@@H]2C(=O)N(C)C)C1 585103155 RXKSZONKCOAOFC-DYVFJYSZSA-N 319.405 2.012 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@]3(CCNC3=O)CC2)cc1 585102571 XTBFAQGFKOISGR-SFHVURJKSA-N 300.402 2.056 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)NCc1c[nH]c2ccccc12 585149503 BLUKXBPQYMLZEE-HIFRSBDPSA-N 313.401 2.192 0 40 DEAB CC(C)(C)CNC(=O)N1CCC[C@@H](c2nnc3n2CCC3)C1 48262467 OPUUMOVMWPEDCI-GFCCVEGCSA-N 305.426 2.159 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)CCc2ccccc2O)C1 58218253 KGVBPSODPDLPPJ-HNNXBMFYSA-N 318.417 2.088 0 40 DEAB COCCNC(=O)N1CCC[C@@H](Cc2ccccc2OC)C1 67358661 NLXQFLMDAIZWDO-AWEZNQCLSA-N 306.406 2.306 0 40 DEAB CN1CCO[C@@H](CNCc2csc(-c3ccccc3F)n2)C1 69626536 ZXBRDBGJNMSZAP-ZDUSSCGKSA-N 321.421 2.369 0 40 DEAB Cc1occc1C(=O)N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1 69894245 RZENRCVAKFGMPV-OAHLLOKOSA-N 324.340 2.421 0 40 DEAB CSC[C@](C)(O)CNC(=O)c1cccc(Br)c1 77105161 NUDUZVZHBGGCEJ-GFCCVEGCSA-N 318.236 2.293 0 40 DEAB O=C(CCc1ccccc1)NCC1(OCCO)CCSCC1 888107045 KGDJCLQSBMQJOD-UHFFFAOYSA-N 323.458 2.010 0 40 DEAB CC(C)(O)C(C)(C)OB(O)c1ccc(-c2ccc(F)cc2)nc1 200307814 RYGVSJPZNBQGBQ-UHFFFAOYSA-N 317.169 2.141 0 40 DEAB Cc1ccc(C2=NO[C@H](CC3(C(=O)O)CCNCC3)C2)cc1 12157368 SMZDLQPESFHUEV-AWEZNQCLSA-N 302.374 2.333 0 40 DEAB CCC(=O)OCC(=O)/N=c1\sccn1Cc1ccc(C)cc1 15940901 FIOOPFPBMSYJPF-MSUUIHNZSA-N 318.398 2.287 0 40 DEAB CCOC(=O)/C(=C\Nc1ccnn1C1CCCCC1)C(=O)O 3852603 KJUBJOLFXUKCND-BENRWUELSA-N 307.350 2.332 0 40 DEAB Cn1ccnc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)c1=O 1888834034 RCVCMZSTQCKPPB-RYUDHWBXSA-N 319.796 2.003 0 40 DEAB Cc1cccc(N2CCN(c3ccc4nnc(C)n4n3)CC2)c1C 20861318 RIBBCSSSNYVILN-UHFFFAOYSA-N 322.416 2.376 0 40 DEAB CONC(=O)c1nc(-c2cccs2)n(-c2cccc(F)c2)n1 25826484 IWDVGVCBASEDPQ-UHFFFAOYSA-N 318.333 2.426 0 40 DEAB C[C@H](C(=O)NCc1ccnc(-c2cccnc2)c1)n1cccn1 238836890 GXSGJAGCARRIFF-CYBMUJFWSA-N 307.357 2.218 0 40 DEAB CCCCCNC(=O)Cn1cnc2c([nH]c3ccccc32)c1=O 23125934 BEZJBDXCLHJIHF-UHFFFAOYSA-N 312.373 2.184 0 40 DEAB CCc1nnc(C2CCN(c3nccc(OC)n3)CC2)s1 2086854836 XVOHCABDMWQXKS-UHFFFAOYSA-N 305.407 2.283 0 40 DEAB COc1ccc(NC(=O)[C@@H]2C(=O)NC[C@@H]2C(C)(C)C)c(C)c1 585149511 CATKESRFYIFXBX-JSGCOSHPSA-N 304.390 2.350 0 40 DEAB Cc1cc(NC2CCN(C(=O)c3ccco3)CC2)nc(C)n1 40490478 VIOIUBDAYZIJEH-UHFFFAOYSA-N 300.362 2.403 0 40 DEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(C(N)=O)CC1 40480678 PDBVQQRVNJKVRV-VNQPRFMTSA-N 324.465 2.188 0 40 DEAB O=C(c1cnn(-c2ccccc2)n1)N1CCO[C@@H]2CCCC[C@@H]21 40553885 GIZMBOBGIALFBA-JKSUJKDBSA-N 312.373 2.051 0 40 DEAB CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)c1nccs1 40512983 JKWHVNIWXNZRHA-UHFFFAOYSA-N 315.398 2.475 0 40 DEAB CCOc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1 116255 LADOFYTYWPLLJP-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB CNC(=O)c1ccccc1SCC(=O)NCc1ccco1 8428326 DKMRVKZSFDBRNC-UHFFFAOYSA-N 304.371 2.048 0 40 DEAB COCCCN1CCC(NC(=O)N2C[C@@H](C)CC[C@@H]2C)CC1 89922696 GJORGTWRGADFIB-GJZGRUSLSA-N 311.470 2.317 0 40 DEAB C[C@@H]1CCCCN1C[C@H](O)COCc1ccc2c(c1)OCO2 46341929 MTPKEAIBUIARRM-HIFRSBDPSA-N 307.390 2.167 0 40 DEAB O=c1c(NCc2ccccn2)c(NCc2ccccc2F)c1=O 101698600 WBZRSNFUCCOWAN-UHFFFAOYSA-N 311.316 2.041 0 40 DEAB C[C@H]1CN(C)CC[C@@H]1NC(=O)C(F)(F)c1ccc(F)cc1 52193774 AUIQXCSJPFLOBT-GWCFXTLKSA-N 300.324 2.374 0 40 DEAB N[C@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 41028275 VTDMTURNUOAKSB-VIFPVBQESA-N 301.159 2.152 0 40 DEAB CCN(CC)CCNC(=O)c1ccc(NC(=O)C2CC2)cc1 6274556 CDDFPKSZCNDLFW-UHFFFAOYSA-N 303.406 2.107 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2ccsc2c1=O 32843088 AEYPODZTNDKMHS-MNOVXSKESA-N 305.403 2.153 0 40 DEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)NCc1ccccc1 7046615 SPUHBKYQCFJSLO-UHFFFAOYSA-N 314.385 2.012 0 40 DEAB C[S@](=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 21958456 SQXAIYBBOIKYDY-OAQYLSRUSA-N 303.339 2.405 0 40 DEAB CN[C@@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 53202511 VRVLZPCQXMZTKO-SNVBAGLBSA-N 315.186 2.412 0 40 DEAB O=C(c1cnc2nc(C(F)(F)F)nn2c1)c1ccccc1O 9386513 ZBSISRLQEGGJKR-UHFFFAOYSA-N 308.219 2.080 0 40 DEAB C[C@H](NC(=O)NC[C@H]1CCCc2ccccc21)c1nncn1C 46938030 XRRSVUUWCXMPPZ-GXTWGEPZSA-N 313.405 2.295 0 40 DEAB CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)OC(C)(C)C 22887498 SYLLOMDUTBLCHA-UHFFFAOYSA-N 307.346 2.452 0 40 DEAB CS[C@H]1CCCC[C@@H]1NC(=O)NCCCc1nc(C)no1 76018887 HNHYARVCQFOJSN-RYUDHWBXSA-N 312.439 2.284 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)OC[C@@H]2CCCN2C(N)=O)s1 76090620 JDDJMNRQSFCQRZ-QJPTWQEYSA-N 308.403 2.246 0 40 DEAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ncccn2)CC1 21210395 FSZSSSCTPVLJGW-UHFFFAOYSA-N 324.384 2.276 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccccc3)C2=O)cc1 101128287 NTDTUAFZLANFCH-CABCVRRESA-N 306.325 2.493 0 40 DEAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@H]21 102984152 LLBBWARKCUMGMJ-ZFVVBOAOSA-N 318.332 2.041 0 40 DEAB CCCn1c(O)c(C(=O)Nc2ncccn2)c(=O)c2ccccc21 1252449 RCCPWMLDNZQQHT-UHFFFAOYSA-N 324.340 2.159 0 40 DEAB Cc1ccc2nc(S[C@@H](C)C(=O)N3CCOCC3)[nH]c2c1 12537514 XJLZWSMDGMAFEG-NSHDSACASA-N 305.403 2.211 0 40 DEAB Cc1ccc(C(=O)CSc2nnnn2C[C@@H]2CCCO2)s1 12567881 HERXBKDWAMYKFI-JTQLQIEISA-N 324.431 2.197 0 40 DEAB CN(C[C@@H]1CCCO1)C[C@H](c1cccs1)N1CCOCC1 106907854 NVIGZZYRBSCWAG-LSDHHAIUSA-N 310.463 2.232 0 40 DEAB CCNC(=O)c1ccc(NCC(=O)Nc2cc(C)no2)c(C)c1 55881551 FZSMYDJOHQWFCQ-UHFFFAOYSA-N 316.361 2.092 0 40 DEAB CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)c2nc(C)no2)cn1 107322523 MGPGHSSQHNVGGB-SCDSUCTJSA-N 305.382 2.023 0 40 DEAB CC(C)CNC(=O)COC(=O)c1cnc(Cl)c(Cl)c1 3263605 OYHDTLPESUTDFF-UHFFFAOYSA-N 305.161 2.317 0 40 DEAB CC(C)(CNC(=O)c1cccc2ncccc12)N1CCOCC1 44896867 PWTMLAXMMCCQKI-UHFFFAOYSA-N 313.401 2.075 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCN(c3cccc(C)c3)CC2)c1 12616523 DYCOGOBOWRLKTC-UHFFFAOYSA-N 311.385 2.488 0 40 DEAB Cc1ccc(C(=O)C(=O)N2CC[C@@H](OCc3cccnc3)C2)cc1 79021612 RPSKTUUFGZEJBW-QGZVFWFLSA-N 324.380 2.390 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)o1)NC[C@H]1CCCO1 44945805 NALUFLMTHDOJHK-CYBMUJFWSA-N 301.346 2.320 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc(C)c(C)c2)no1 44947844 HHGATYQRXSMMGT-GFCCVEGCSA-N 322.386 2.401 0 40 DEAB NC(=O)c1cnc(N2CCO[C@@H](c3ccccc3)C2)c(Cl)c1 44978649 RKACHVYZBWKQFW-CQSZACIVSA-N 317.776 2.412 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NCc2ccccc2Cl)C1 27936384 BGJCNGMXJILWHK-NSHDSACASA-N 302.827 2.406 0 40 DEAB CCN(CC)CCNS(=O)(=O)c1ccc(Cl)cc1F 3396078 VLPBXPNLXYJRHU-UHFFFAOYSA-N 308.806 2.099 0 40 DEAB CC(=O)c1cccc(NC(=O)c2nc3ccccc3c(=O)[nH]2)c1 28210332 GFQSJVGUUKOAEM-UHFFFAOYSA-N 307.309 2.378 0 40 DEAB Nc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 3339460 YGKKJQCXFRTZFI-UHFFFAOYSA-N 318.189 2.425 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(=O)[nH]n1 12779049 COFDLEVVNADJNQ-KRWDZBQOSA-N 319.364 2.484 0 40 DEAB CCc1ncc2c(n1)CN(Cc1c(C)nn(C)c1Cl)CC2 69879873 YHUAXJYSJKGACG-UHFFFAOYSA-N 305.813 2.293 0 40 DEAB CCCc1cc(O)nc(S[C@@H](C(N)=O)c2ccccc2)n1 11241508 OREWTXXIPZDSJX-CYBMUJFWSA-N 303.387 2.453 0 40 DEAB CSCc1nnc(SCC(=O)N(C)Cc2ccco2)o1 48396445 RIHKWKFTJLXVDR-UHFFFAOYSA-N 313.404 2.276 0 40 DEAB CCc1nccn1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 69927641 KUGKUWGHHSBRSI-GFCCVEGCSA-N 313.405 2.135 0 40 DEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccco1 8942062 GFHBIJWNXDJAQH-QGZVFWFLSA-N 312.369 2.432 0 40 DEAB Cc1cc(NC(=O)CSc2ncnc3ccccc23)n(C)n1 14021598 QQDUQHXWHZRQBR-UHFFFAOYSA-N 313.386 2.403 0 40 DEAB Cc1nnnn1-c1ccc(C(=O)NCc2cccc(F)c2)cc1 71285145 YGIPYDQRAKYNBM-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2cc(Cl)ccn2)cc1 9114295 UKWLEZKJFCFLLK-UHFFFAOYSA-N 304.733 2.452 0 40 DEAB Cc1cc2c(cc1C)O[C@H](C(=O)NC[C@H]1CCN(C(C)C)C1)C2 96430758 IVZZWMUOTUQCJI-QAPCUYQASA-N 316.445 2.453 0 40 DEAB C[C@@H]1CCC[C@@H](NC2CCN(S(=O)(=O)C3CC3)CC2)[C@@H]1C 96004777 RRHZACOTQPQRMH-XJKCOSOUSA-N 314.495 2.357 0 40 DEAB O=C1[C@@H](NC2Cc3ccccc3C2)CCCN1CC(F)(F)F 90591106 LEHMSUGXNRERFW-AWEZNQCLSA-N 312.335 2.297 0 40 DEAB CNC(=O)c1cccc(CN2CCC(=O)Nc3ccccc32)c1 80732253 JBVCXEREJXNQAW-UHFFFAOYSA-N 309.369 2.395 0 40 DEAB C[C@@H]1CCc2c(sc3ncnc(N(C)CC(=O)N(C)C)c23)C1 7981581 MCHJDOHHZJBKFM-SNVBAGLBSA-N 318.446 2.341 0 40 DEAB O=c1c2ccccc2nnn1Cc1cc(-c2ccccc2)on1 8222355 QGWGUKLWKWFPGZ-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB CC[C@@]1(C)NC(=O)N(Cc2cc(=O)oc3cc(C)ccc23)C1=O 9417103 JQBYDCGWMUAHQM-QGZVFWFLSA-N 314.341 2.322 0 40 DEAB O[C@]1(CN[C@H]2CCc3c(Br)cccc32)CCOC1 91405855 ZSLRWXJUOUDBSQ-KBPBESRZSA-N 312.207 2.177 0 40 DEAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 70173597 JVFINNUPDNOYRK-WDEREUQCSA-N 302.827 2.088 0 40 DEAB Cc1c([C@@H](C)NC(=O)[C@H](C)NC(N)=O)oc2ccc(F)cc12 69436389 HPCXGQLZSGOARR-BDAKNGLRSA-N 307.325 2.114 0 40 DEAB C[C@H](NC(=O)CCOc1ccccc1)C(=O)NC1CCCC1 69493809 AJNLGQUUYMKIBF-ZDUSSCGKSA-N 304.390 2.019 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCO[C@@H]2CCC[C@H]21 71822670 NYNAENLKSQFVHX-IAGOWNOFSA-N 311.385 2.195 0 40 DEAB Cc1nc(CC(=O)N2CCCC[C@@H]2Cn2cccn2)cs1 71864995 XYWMLKIGPVWWOH-CQSZACIVSA-N 304.419 2.272 0 40 DEAB O=C(CC1=CCCCC1)NC1CCN(C[C@H]2CCOC2)CC1 71914477 HSAJOBQZGMCJRD-MRXNPFEDSA-N 306.450 2.494 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)CCCNC(=O)c2ccco2)C1(C)C 71915410 CZLOVQQGXBQOJE-UONOGXRCSA-N 322.405 2.109 0 40 DEAB O=C(NCc1ccccc1N1CCCCC1)N1CCC[C@H]1CO 97049691 TYJHMQKVDYAUCK-INIZCTEOSA-N 317.433 2.343 0 40 DEAB CC(CO)(CO)NC(=O)c1ccc(-c2ccc(F)cc2)cc1F 97098153 PMTVWHBMLKHGTE-UHFFFAOYSA-N 321.323 2.105 0 40 DEAB O=C(Nc1ccccc1F)N1CCC[C@H](Cn2cncn2)C1 97048171 AHZBEVKZYHFASL-LBPRGKRZSA-N 303.341 2.361 0 40 DEAB c1ccc(-c2nc(CCNc3nccn4cnnc34)co2)cc1 72289832 RSBLROAFRZMVFD-UHFFFAOYSA-N 306.329 2.434 0 40 DEAB Cc1nc(CN2CCC[C@@H](Nc3cnc4ccccc4n3)C2)no1 72276354 BJGYXAPNQIXOSX-CYBMUJFWSA-N 324.388 2.398 0 40 DEAB C[C@H](NC(=O)c1ccc(O)cc1F)[C@H](O)Cc1ccccc1 97232610 CTFXDCHSLZZZOF-MEDUHNTESA-N 303.333 2.253 0 40 DEAB Cc1ccnc(NC[C@@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)c1 97200767 WYDKAFOPTKHFRF-YJBOKZPZSA-N 324.428 2.350 0 40 DEAB C[C@@H](c1ccccn1)N1CCN(C(=O)c2cscn2)CC1 97378939 FTBNVPYNNWDYFP-LBPRGKRZSA-N 302.403 2.057 0 40 DEAB Cc1cccc(C)c1NCC(=O)NCCn1c(C)n[nH]c1=S 73942149 YRKJSXZYWBBTMO-UHFFFAOYSA-N 319.434 2.094 0 40 DEAB COC(=O)c1ccc(Cn2c(C)nn(C(C)(C)C)c2=O)s1 95997487 KLONRLSCOXTNMI-UHFFFAOYSA-N 309.391 2.005 0 40 DEAB COc1ccc([C@@H](C)N(C)C(=O)[C@H]2CCN(C)C(=O)C2)cc1 95948250 DRSLNZWFHCSMEO-OCCSQVGLSA-N 304.390 2.083 0 40 DEAB COc1ccc(NC(=O)N2C[C@H](SC)[C@H](N(C)C)C2)cc1 89314117 YFQLKSZYFCMTRT-KGLIPLIRSA-N 309.435 2.205 0 40 DEAB CN(CCN1C(=O)C[C@@]2(CCSC2)C1=O)c1ccccc1 89346169 VCZPCIAWJVTQAS-MRXNPFEDSA-N 304.415 2.005 0 40 DEAB Cc1csc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)n1 9954903 IGKHITGKJDGBQQ-SNVBAGLBSA-N 317.370 2.204 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 23864246 SGYXNPWIWOQWLO-UHFFFAOYSA-N 319.382 2.279 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 41347535 PQAHASSRKXLCEI-JQWIXIFHSA-N 324.222 2.149 0 40 DEAB CCc1nc(S/C(=C\c2ccc(C(=O)O)cc2)C(=O)O)n[nH]1 213401377 FFGFVRAPHXRRHS-YFHOEESVSA-N 319.342 2.283 0 40 DEAB COc1cc2c(cc1O)[C@](Cc1ccccc1)(C(=O)O)NCC2 3847276 MSALNDNZJFQMMY-GOSISDBHSA-N 313.353 2.069 0 40 DEAB biogenic CN1CCC(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 74920938 XUTIOHAAKNDUPU-UHFFFAOYSA-N 319.424 2.206 0 40 DEAB O=C(c1ccc(-c2ccc(=O)[nH]c2)s1)N1CCSCC1 72260068 LMKMAUWAMXEQSY-UHFFFAOYSA-N 306.412 2.292 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)o2)no1 72241093 ZNYCJZSTPCAYNW-GFCCVEGCSA-N 303.318 2.014 0 40 DEAB COC(=O)Cn1cc(CSc2c(F)cc(F)cc2F)nn1 573791849 CYQWBVNILZOJPI-UHFFFAOYSA-N 317.292 2.161 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2cc(C)ccc2C)c1=O 225966939 DPZMXRZKXXRMSC-UHFFFAOYSA-N 314.341 2.229 0 40 DEAB CNS(=O)(=O)c1ccc(-c2nc3c(s2)C(=O)CCC3)cc1 195567868 AGJGNWSRKRIBNZ-UHFFFAOYSA-N 322.411 2.237 0 40 DEAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1(CC)CC 81614687 LUIAGIORABAWHL-LSDHHAIUSA-N 320.433 2.441 0 40 DEAB CC1(C)C(=O)N[C@@H]1C1CCN(Cc2ncccc2Cl)CC1 528514400 LWLXHPRSYGYUNM-CQSZACIVSA-N 307.825 2.472 0 40 DEAB O=C(Nc1ccnnc1)N1CCOC[C@@H]1c1ccc(F)cc1 573542049 FSMAVDZVXYZSBX-CQSZACIVSA-N 302.309 2.221 0 40 DEAB CCC[C@H](C(=O)O)N1CCn2c(nnc2-c2ccccc2)C1 576762257 UNEOMICYLGRZET-CYBMUJFWSA-N 300.362 2.014 0 40 DEAB Cn1cnc(CCNC(=O)N[C@H]2CCc3ccc(F)cc32)c1 577068902 ITYSBNCTIWGDIT-HNNXBMFYSA-N 302.353 2.088 0 40 DEAB Cc1cnc(N2C[C@H]3O[C@H](C[C@@H]3C(=O)Nc3ccccc3)C2)nc1 96253391 DKDNNCMTRZIFMG-OWCLPIDISA-N 324.384 2.017 0 40 DEAB O=C([C@H]1CCC2(CCN(Cc3ccco3)CC2)O1)N1CCCC1 96061220 KQAUZWPGFLSHFW-MRXNPFEDSA-N 318.417 2.416 0 40 DEAB CC[C@@H](NC(=O)CCSc1ccccn1)c1nc(C)n[nH]1 97227549 POKPEQVIKOPIQV-LLVKDONJSA-N 305.407 2.258 0 40 DEAB C[C@H](COc1ccc(F)cc1)N[C@H]1CCC[C@@H]1S(C)(=O)=O 97230778 CTNSFKGWXASQTM-UGFHNGPFSA-N 315.410 2.148 0 40 DEAB Cn1ccnc1CN1CCC2(CC1)CCN(c1ccccc1)C2=O 96157879 IXPYSKYHJDZNRJ-UHFFFAOYSA-N 324.428 2.439 0 40 DEAB Cc1noc([C@H]2CO[C@@H]3CN(Cc4ccc(C)s4)C[C@@H]32)n1 96216421 TZAAWUCGKINQER-HZSPNIEDSA-N 305.403 2.362 0 40 DEAB Cc1ccc2c(CC(=O)N[C@H]3CCc4nnc(C)n4C3)coc2c1 97198648 RPQVXRYCTXDETE-AWEZNQCLSA-N 324.384 2.315 0 40 DEAB O=C(C[S@](=O)C[C@H]1CCCO1)N[C@H](c1ccccc1)C1CC1 253355435 AYTMXLOORCSJKS-ZDPZECHZSA-N 321.442 2.182 0 40 DEAB Cc1nc(CC(=O)N2CCC[C@H](c3ccncn3)C2)cs1 257255887 KJHSHAPRCCHMGS-LBPRGKRZSA-N 302.403 2.190 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 257271231 MXKSQTSMJOXTFE-CYBMUJFWSA-N 302.378 2.272 0 40 DEAB COCCN1CCC(Cc2nccnc2-c2cc(C)n[nH]2)CC1 257331677 XTUJYUYAFBBWGC-UHFFFAOYSA-N 315.421 2.076 0 40 DEAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NC1CCC(O)CC1 57451590 DYRPZZMHXKNSHG-UNXYVOJBSA-N 312.360 2.499 0 40 DEAB CC(C)[C@H]1C(=O)NCCN1C(=O)Nc1cccc2cccnc12 69451655 KZMXOUSADBEMPI-HNNXBMFYSA-N 312.373 2.223 0 40 DEAB Cc1nc(-c2cccs2)sc1C(=O)NC(C)(C)C(N)=O 65404230 KPWRQOWFZFTRLG-UHFFFAOYSA-N 309.416 2.174 0 40 DEAB O=C(O)c1ccc(C(=O)O)c(NC(=O)c2ccccc2F)c1 13391942 REIRCVGRZIVRDV-UHFFFAOYSA-N 303.245 2.474 0 40 DEAB CCOc1ccc(/C=C2\C(=N)N=C(N)N=C2O)cc1OCC 17193125 KLFYCKLRTAKFOE-JXMROGBWSA-N 302.334 2.129 0 40 DEAB CCCc1cc2c(cc1NC(=O)c1cc(=O)[nH]c(C)n1)OCO2 19525472 AQGQZQPZRSAALE-UHFFFAOYSA-N 315.329 2.012 0 40 DEAB O=C1N[C@@]2(CCSC2)C(=O)N1CCCOc1ccc(F)cc1 26397982 CYMUMODQAMWPJY-OAHLLOKOSA-N 324.377 2.022 0 40 DEAB CCOc1cc(C(=O)N[C@H](C)Cn2cccn2)ccc1OC 31390553 YKJUQAWFXXTHGE-GFCCVEGCSA-N 303.362 2.109 0 40 DEAB CC(C)(C)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32912256 YBJGQLZUEXRDEQ-FZMZJTMJSA-N 307.415 2.134 0 40 DEAB O=C(c1ccc(C(F)(F)F)nc1)N1CC[C@@H](c2ncon2)C1 244969086 GXNXAWLUBABMAD-SECBINFHSA-N 312.251 2.113 0 40 DEAB Cc1cc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)no1 3958675 DFHKTUWPEFCHGB-UHFFFAOYSA-N 317.320 2.349 0 40 DEAB COc1cc(C)c(NC(=O)c2cn3cccnc3n2)cc1OC 40119394 WTZJJJRKYIVPPQ-UHFFFAOYSA-N 312.329 2.307 0 40 DEAB Cn1ccc(C(=O)N(Cc2ccco2)Cc2ccco2)cc1=O 30469751 SVTOERPCXGYNJO-UHFFFAOYSA-N 312.325 2.414 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 40539207 ZOWXRVJVEBKKHX-OAHLLOKOSA-N 304.390 2.356 0 40 DEAB CC(=O)c1c[nH]c(C(=O)Nc2ccn(CCc3ccccn3)n2)c1 51417636 BCCDYWMPNRDOGI-UHFFFAOYSA-N 323.356 2.304 0 40 DEAB Cc1cc(N2CCNCC2)nc2c1c(C)nn2-c1ccccc1 11567792 JXJJBZWBCSLJQW-UHFFFAOYSA-N 307.401 2.447 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccc3c2OCO3)c1 70013815 BDEVSXKARCEUSE-ZDUSSCGKSA-N 313.357 2.225 0 40 DEAB O=C(Cc1ccsc1)OCCN1C(=O)c2ccccc2C1=O 2627298 FCMCJZZSQYBARN-UHFFFAOYSA-N 315.350 2.130 0 40 DEAB O=C(O)CCC(=O)CCC(=O)c1ccc(O)c2ncccc12 1580194 SDIIGLWXEVMFDA-UHFFFAOYSA-N 301.298 2.337 0 40 DEAB in-vivo CO[C@]1(O)C(=O)c2ccccc2O[C@@]1(OC)c1ccc(C)cc1 1674558 NTWNRZOZJNNQKF-MSOLQXFVSA-N 314.337 2.405 0 40 DEAB O=C(O)C[C@@H]1Sc2nncn2N=C1c1ccc(Cl)cc1 8391833 TUDJAIDMJXIZCN-VIFPVBQESA-N 308.750 2.133 0 40 DEAB COc1ccccc1[C@@H](CNC(=S)NC1CC1)N1CCCC1 21334353 LPURACZTVZCGKF-OAHLLOKOSA-N 319.474 2.459 0 40 DEAB Cc1c(-c2nc3c4ccccc4[nH]c(=O)n3n2)nc2ccccn12 6187748 SHXYZBMIJKAEGB-UHFFFAOYSA-N 316.324 2.194 0 40 DEAB O=C(c1c(O)cc(F)cc1F)N1CCC(N2CC=CC2)CC1 102696926 RZVFGXWAEGCMBM-UHFFFAOYSA-N 308.328 2.147 0 40 DEAB COc1cccc(NC(=O)C(=O)NCC2(c3ccccc3)CC2)c1 11902011 NBNWQXPIWCOWBY-UHFFFAOYSA-N 324.380 2.482 0 40 DEAB COc1ccc(CNc2nnnn2-c2ccccc2)c(OC)c1 52473865 ADLBHKJMQQLZSI-UHFFFAOYSA-N 311.345 2.292 0 40 DEAB CC[C@@H](Nc1cccc(C(=O)NC)c1)C(=O)Nc1cc(C)on1 32850986 RTDOFVQUVGZJFS-CYBMUJFWSA-N 316.361 2.172 0 40 DEAB COC(=O)[C@]1(C)C(=O)C[C@H]2CC[C@H]1N2Cc1cccc(OC)c1 100186259 YVNQJCOHOOYXGB-SIIHOXLZSA-N 317.385 2.180 0 40 DEAB CCN1CCN(S(=O)(=O)c2c(C)noc2C)c2ccccc21 89977364 USFRBKXDWYJHFP-UHFFFAOYSA-N 321.402 2.327 0 40 DEAB CC(=O)c1ccc(OCC(=O)NC2(C(=O)O)CCCCC2)cc1 61254292 AIEDHNVGKQFTBK-UHFFFAOYSA-N 319.357 2.172 0 40 DEAB Cc1csc(NC(=O)C2CCN(C[C@H]3CCOC3)CC2)n1 54236117 BGMCVVQGQGLZCS-GFCCVEGCSA-N 309.435 2.139 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1CCN2CCCC[C@@H]12 47498264 YRIOMNMHOWBFND-QWRGUYRKSA-N 307.423 2.164 0 40 DEAB COc1cccc(OC)c1C(=O)OCc1ccoc1C(=O)O 76021674 UPXMWVJIITXUFK-UHFFFAOYSA-N 306.270 2.352 0 40 DEAB Cc1nn(C)c(C)c1CCNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2 106747742 OACMVDMBVGZEAU-YDHLFZDLSA-N 306.479 2.232 0 40 DEAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nnnn1-c1ccccc1 76084216 YRODYYLXMWLCPL-JTQLQIEISA-N 321.344 2.005 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)NCc2cc(C(C)C)no2)o1 76088126 MKIYPZVFWGSEMB-MRXNPFEDSA-N 321.377 2.406 0 40 DEAB Cc1csc([C@H](NC(=O)NCc2ccnn2C)C2CC2)n1 76084737 YMZKYJOPCNBPEV-GFCCVEGCSA-N 305.407 2.136 0 40 DEAB CC(C)c1noc(CCNC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)n1 106910483 ALLGFBYOGPKRBW-RWMBFGLXSA-N 306.410 2.471 0 40 DEAB COc1ccc(OC)c2c1CN(c1cncc(Cl)n1)C[C@H]2O 43535104 MNKNGUISDUTGNF-SNVBAGLBSA-N 321.764 2.201 0 40 DEAB Cc1cc(=O)oc2cc(OC[C@H](O)CN3CCCCC3)ccc12 1522266 MKIFEBNUPXZJLM-CQSZACIVSA-N 317.385 2.327 0 40 DEAB CC(C)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005205 NYDKEFUOHWULOG-AWEZNQCLSA-N 310.419 2.075 0 40 DEAB Cc1ccc(NC(=O)NCCc2nnc3n2CCCC3)s1 96012677 DEEJUNHRRWUBNW-UHFFFAOYSA-N 305.407 2.349 0 40 DEAB O=C(CCNC(=O)c1ccc2c(c1)CCC2)NCc1cccnc1 58218797 YCEMYYAKLADVMN-UHFFFAOYSA-N 323.396 2.007 0 40 DEAB c1ccc(CCN2CCC(Nc3ccc4nncn4n3)CC2)cc1 44978723 AGCRYYLXAJTUMW-UHFFFAOYSA-N 322.416 2.243 0 40 DEAB CO[C@H]1CCCC[C@H]1OC(=O)c1cccc(N2CCNC2=O)c1 58307048 CSKWDCPCFJAKDG-LSDHHAIUSA-N 318.373 2.331 0 40 DEAB Cc1nccn1-c1ncccc1NC(=O)[C@H](C)OCC1CC1 58379253 VKEGYOIMVSXXOJ-NSHDSACASA-N 300.362 2.329 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccc(OCC(F)(F)F)nc1 58377751 DSTZVUKOPXJNJW-BOPFTXTBSA-N 317.292 2.164 0 40 DEAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)cc1 58309387 LUUHCUWRNFRANB-IRXDYDNUSA-N 319.401 2.495 0 40 DEAB Cc1nn(-c2ccccc2)nc1C(=O)n1cccc/c1=N\C(C)C 10799134 FPXRAGALWWSMBM-KNTRCKAVSA-N 321.384 2.375 0 40 DEAB Cc1ccc(CNC(=O)CNC(=O)NCc2ccccc2)cc1 12774268 SUKZINRYTJMNGJ-UHFFFAOYSA-N 311.385 2.111 0 40 DEAB NC(=O)Cc1csc(NC(=O)c2ccc3c(c2)CCCC3)n1 12877338 CQJCBKYNWCDMEC-UHFFFAOYSA-N 315.398 2.302 0 40 DEAB O=C1c2cccn2[C@@H]2CN(Cc3ccco3)C[C@H]2N1CC1CC1 306143301 XYCHJJSUQSZNND-IAGOWNOFSA-N 311.385 2.372 0 40 DEAB Cc1noc(C)c1C(=O)N1CCCN(Cc2cscn2)CC1 69810412 WBNAGIBRLGVMPM-UHFFFAOYSA-N 320.418 2.096 0 40 DEAB CCCS(=O)(=O)N[C@@H](CC(=O)O)c1ccccc1Cl 13342969 MFWLVDCJTZKCGD-NSHDSACASA-N 305.783 2.185 0 40 DEAB COCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C 13494400 HHBNYMCTMOUFEX-UHFFFAOYSA-N 316.401 2.468 0 40 DEAB COc1ccc(-c2nc(C)c(C(=O)NCCC(=O)O)s2)cc1 49548050 GPPGRQQQSOPCPD-UHFFFAOYSA-N 320.370 2.332 0 40 DEAB CCCCCC(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1 4117423 AEFCGBOKVISCGT-UHFFFAOYSA-N 306.391 2.250 0 40 DEAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccco1 6097728 WYKSZAIJHOVTIK-LLVKDONJSA-N 320.418 2.395 0 40 DEAB Cc1nc(CCNC(=O)N2CCC[C@H](N3CCCC3)C2)cs1 65414303 UTCKAEOTHTYMGM-HNNXBMFYSA-N 322.478 2.264 0 40 DEAB COC(=O)CN(Cc1ccccc1C)C(=O)c1cc(C)no1 65538274 JJQLRMHWIDUKRF-UHFFFAOYSA-N 302.330 2.107 0 40 DEAB Cc1cccc(CN2CCc3cc(S(N)(=O)=O)ccc32)c1 8706817 WULYXOXKLOYSGV-UHFFFAOYSA-N 302.399 2.205 0 40 DEAB CC(C)CC(=O)Nc1nc2nc(-c3ccccc3)cc(O)n2n1 18220028 VFYUKFDJCDCWQJ-UHFFFAOYSA-N 311.345 2.482 0 40 DEAB CC[C@]1(C)OC(=O)N(CCC(=O)Nc2ccccc2F)[C@@]1(C)O 4776803 YDJBEMNIZFYAKR-HOTGVXAUSA-N 324.352 2.484 0 40 DEAB C[C@H](Sc1nnc([C@H](C)Oc2ccccc2F)o1)C(N)=O 4938035 VDDXMMFNBIOYBJ-YUMQZZPRSA-N 311.338 2.315 0 40 DEAB CC1(C)C[C@H](NCC2(O)CCOCC2)CN1Cc1ccccc1 90184901 TXTDICGIOOSUDQ-KRWDZBQOSA-N 318.461 2.171 0 40 DEAB C[C@H]1CN(CCC2CCN(Cc3ccnn3C)CC2)C[C@@H](C)O1 93844382 IWQRFFIXYVONOK-IYBDPMFKSA-N 320.481 2.131 0 40 DEAB C[C@@H](N[C@@H]1CCCN(c2cccnn2)C1)c1nc(C2CC2)no1 71859713 WFZAFDKKUGECEI-DGCLKSJQSA-N 314.393 2.057 0 40 DEAB Cc1csc(N2CCN(Cc3ncc(Cl)n3C)CC2)n1 71852379 RJDDVZNTVVTYLN-UHFFFAOYSA-N 311.842 2.161 0 40 DEAB CCCC(=O)NCC(=O)N1Cc2ccccc2N(C)C[C@H]1CC 79070741 IVQFFGVPTWJODN-OAHLLOKOSA-N 317.433 2.160 0 40 DEAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1F 72053906 SPXOMSZKGFHHTD-AWEZNQCLSA-N 322.405 2.272 0 40 DEAB Cc1ccc([C@H](C)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1 84148642 NWLQTERQUMABPV-SZMVWBNQSA-N 316.445 2.156 0 40 DEAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccnc1 97018075 NZLUYXNOWSUBSV-UHFFFAOYSA-N 320.295 2.477 0 40 DEAB COC(=O)[C@H]1CN([C@@H](C)c2nc3ccccc3o2)C[C@@H](C)O1 97047147 BPCFAQNFNWYDEM-UHIISALHSA-N 304.346 2.151 0 40 DEAB CC(C)C(=O)Nc1ccc(NC(=O)N2CC(N(C)C)C2)cc1 97049394 UZIMOVKZSVTPCS-UHFFFAOYSA-N 304.394 2.059 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)CCc1cccs1)CC2 72294799 WPOLSOPWUCFAGU-HUUCEWRRSA-N 323.458 2.459 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)c3c(C)noc3C)C2)no1 72231678 DIBYZLUZKLOGKS-TVQRCGJNSA-N 318.377 2.493 0 40 DEAB Cc1ccc(C(=O)NCCCNCc2cccnc2)c(F)c1 97227561 HMVXGLMCXHXMNE-UHFFFAOYSA-N 301.365 2.439 0 40 DEAB O=C(CNC(=O)Nc1cccnc1)Nc1cccc2ncccc12 95396218 WYWDTQNSUHRLJZ-UHFFFAOYSA-N 321.340 2.390 0 40 DEAB CCCN1CCN(C(=O)c2ccc(CN3CCCCC3)o2)CC1 27979781 FNFJBBDDXBXVOF-UHFFFAOYSA-N 319.449 2.433 0 40 DEAB c1ccc2c(c1)CCN2CC1CCN(CC2OCCO2)CC1 95992496 WUDAUQKGOZPUJH-UHFFFAOYSA-N 302.418 2.134 0 40 DEAB CS(=O)(=O)NCC[C@H]1CCCCN1c1nc2ccccc2o1 95963896 WQLPBNLCUIELNY-GFCCVEGCSA-N 323.418 2.126 0 40 DEAB CN(c1nc(CN2CCN(CC3CC3)CC2)cs1)C1CC1 89365645 BHYBKPZRZYODAO-UHFFFAOYSA-N 306.479 2.269 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1csc2cncn12 75104206 FZUXKIUUEXQNHE-PHIMTYICSA-N 321.402 2.342 0 40 DEAB Cc1cnc(O)c(CNC(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 1548453586 HYGGNQVXOFPIEA-LBPRGKRZSA-N 307.394 2.241 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1C 408619001 HLXKFINJQZTBAU-UHFFFAOYSA-N 308.359 2.025 0 40 DEAB CO[C@@]1(C)C[C@@H](NC(=O)c2cnc(C3CCNCC3)o2)C1(C)C 1548548583 WWOWSOYCQVSHOH-DYVFJYSZSA-N 321.421 2.075 0 40 DEAB CC(=O)N1CC[C@@]2(C1)Cn1c(-c3ccc(F)cc3)cnc1CO2 306127524 GAQPCJULRYDEMO-QGZVFWFLSA-N 315.348 2.210 0 40 DEAB O=C(NC[C@H]1CCc2ncc(-c3ccsc3)n21)[C@@H]1CCOC1 306144118 YWMYZAQZDBTEQG-DGCLKSJQSA-N 317.414 2.252 0 40 DEAB Cn1ncc2c(O)nc(N3[C@H]4CCC[C@H]3CC(F)(F)C4)nc21 521396643 OWIFTCKHBNPYNB-IUCAKERBSA-N 309.320 2.226 0 40 DEAB Cc1nc(C(=O)N2CCC[C@@H](c3ccnc4nccn34)C2)co1 72368596 JZIUFSDJPCBLKZ-GFCCVEGCSA-N 311.345 2.046 0 40 DEAB O=C(CCOc1cccc(Cl)c1)N1CC[C@@](O)(C(F)F)C1 556675115 FXQHDAGVLFXPGQ-AWEZNQCLSA-N 319.735 2.337 0 40 DEAB Cc1cc(C)n(CCN2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 76009475 MYQJCCZGFJSOSE-OAHLLOKOSA-N 322.453 2.489 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc2ccccc2n1 79042248 CNUXITVDDDSENO-GFCCVEGCSA-N 320.414 2.130 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2)n1 72361998 FAGKJXCYVLULFT-CQSZACIVSA-N 319.386 2.365 0 40 DEAB Cc1cc(CCC(=O)N(C)C)nc([C@H]2CCCN(C(C)C)C2)n1 72366978 ACKYXISJBYYXGL-HNNXBMFYSA-N 318.465 2.394 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)NC[C@H](C)Cn2ccnc2)c1 81800757 FBLZHAGLUHREIR-NSHDSACASA-N 318.352 2.047 0 40 DEAB C[C@H](O)CNc1nc2ccccc2n1CCO[C@H]1CCCCO1 225663752 HLPPFEPJJAARLO-BBRMVZONSA-N 319.405 2.372 0 40 DEAB O=C(Nc1ccccn1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40553336 ZJIATAPNWOEVBA-NSHDSACASA-N 317.780 2.380 0 40 DEAB O=C(Nc1cc2c(nc1O)CCCC2)[C@H]1NCC12CCCC2 1580761750 ZQSSTGCMYLVDEY-CQSZACIVSA-N 301.390 2.137 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(F)cc2)cc1 49920356 GBWLKOXUQUMPHU-OAHLLOKOSA-N 309.362 2.146 0 40 DEAB COCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c(C)n1 225891657 WCLIMYWZQSLFKF-INIZCTEOSA-N 308.378 2.169 0 40 DEAB CN(C)CC(=O)Nc1cccc(-n2cc(C(F)(F)F)cn2)c1 195569941 VJZGRUBMCHQTQI-UHFFFAOYSA-N 312.295 2.391 0 40 DEAB COc1cc(Br)c(C[C@@H](C#N)C(=O)O)cc1OC 142551295 NHGTWBDIDKLDLJ-QMMMGPOBSA-N 314.135 2.233 0 40 DEAB COc1cccc(F)c1[C@@H](C)NC(=O)c1c(C)nn(C)c1OC 96426698 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COC(=O)c1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1 824193682 HOILYVOJNSMJDS-UHFFFAOYSA-N 316.401 2.174 0 40 DEAB CC(C)[C@@]1(C)CC(=O)N(C[C@@H](O)c2ccc(F)c(F)c2)C1=O 95960063 PXYMBRVIKBRJHK-CZUORRHYSA-N 311.328 2.419 0 40 DEAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCCCCC2)cc1 5043801 PKRHEPSWIFIAOZ-INIZCTEOSA-N 306.406 2.261 0 40 DEAB COc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 169619921 IATZVIOTMMYCPL-SDUSXYTHSA-N 324.380 2.118 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)c1cccnc12 204082754 ZSQXALQNQWCCOE-UHFFFAOYSA-N 304.346 2.478 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)NCCn2cccn2)n(C)n1 153442425 CODIOIZPRBVCDN-UHFFFAOYSA-N 324.388 2.414 0 40 DEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 555168 WEHZZLKAMZFQRB-UHFFFAOYSA-N 305.355 2.298 0 40 DEAB c1ccc(CN2C[C@@H]3CN(c4ccn5nccc5n4)C[C@H]3C2)cc1 1888890134 VQRLHGDWQBJZCJ-IAGOWNOFSA-N 319.412 2.298 0 40 DEAB COc1cnc(N2CCC(COc3ncccc3C)CC2)nc1 1889108979 ZGCYIFMDXFYJBW-UHFFFAOYSA-N 314.389 2.484 0 40 DEAB C[C@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)NC(N)=O 28368000 SZRZKYULQTVGTM-JTQLQIEISA-N 319.361 2.114 0 40 DEAB CN(C)c1ncccc1CNC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 32689857 GUCJCWSEJFTQFK-NNQSOWQGSA-N 315.417 2.159 0 40 DEAB COC(=O)c1ccc(I)c(O)c1Cl 1776011058 VIHYXVWPMQNPLA-UHFFFAOYSA-N 312.490 2.437 0 40 DEAB Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(Br)cc1 36615646 YAQGRIZMPZDNMD-UHFFFAOYSA-N 324.134 2.133 0 40 DEAB O=C(/C=C/c1ccco1)N1CCCN([C@@H]2CCSC2)CC1 1565523079 GGJWLGGLLHZBSW-ISZGNANSSA-N 306.431 2.333 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(C[C@H]3CCCCO3)C2)nc1 2086850138 HBUYBJSTSKNENI-HZPDHXFCSA-N 304.438 2.255 0 40 DEAB CC(C)N(CCNC(=O)c1cnn(-c2ccccc2)n1)C(C)C 40162051 CPUIYJAEYYPEBM-UHFFFAOYSA-N 315.421 2.116 0 40 DEAB CCOC(=O)N[C@@H](CNC(=O)COc1ccccc1)CC(C)C 31705625 VIVGRAUXZHAAIQ-CQSZACIVSA-N 322.405 2.342 0 40 DEAB CS[C@@H](C)C(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 40525030 AMXKSIKMNPERAU-ZDUSSCGKSA-N 322.478 2.309 0 40 DEAB CN(C)c1cc(CNC(=O)CSCc2ccncc2)ccn1 40555309 KJJFEPFQYWOJGH-UHFFFAOYSA-N 316.430 2.092 0 40 DEAB C[C@H](Sc1n[nH]c(N)n1)C(=O)N[C@H]1CCCc2ccccc21 8488678 NANFWMPYBPGTLY-CABZTGNLSA-N 317.418 2.061 0 40 DEAB CCN(CC)C(=O)CCSc1nnnn1-c1ccccc1 386149 XZROBHJOJSBGJT-UHFFFAOYSA-N 305.407 2.013 0 40 DEAB Cc1ccc(-n2nnc(C(=O)NC3CCCCC3)c2N)cc1F 4984795 LGNKPVZYTPBDOI-UHFFFAOYSA-N 317.368 2.360 0 40 DEAB O=C(COc1ccc(Cl)cc1Cl)N1CCNC1=S 6511386 MPPSAKBNVFGUCC-UHFFFAOYSA-N 305.186 2.089 0 40 DEAB O=C(NCc1ccccc1Cn1cncn1)c1ccccc1F 32818634 MAMQAZKLPPKXER-UHFFFAOYSA-N 310.332 2.396 0 40 DEAB O=C1[C@H]2C=CC=C[C@@H]2C(=O)N1CCc1c[nH]c2ccc(O)cc12 100249522 YKZAKWOJHOIPNI-KBPBESRZSA-N 308.337 2.143 0 40 DEAB Cc1cc(OC[C@@H](O)CNC[C@@H](C)O)c(C(C)C)cc1Cl 2624424 MJTYNDUNVLZFHV-OLZOCXBDSA-N 315.841 2.482 0 40 DEAB COc1cccc(C(N)=O)c1OCC(=O)c1cc(C)n(C)c1C 32958243 CVFZQZYTUUNXTP-UHFFFAOYSA-N 316.357 2.011 0 40 DEAB CNC(=O)c1ccccc1NC(=O)c1cn2c(C)cccc2n1 37116063 RVKCNIMASDBSKZ-UHFFFAOYSA-N 308.341 2.255 0 40 DEAB CC1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 109015615 XKAUGPYAVXYYIB-AJNGGQMLSA-N 300.468 2.377 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)NC1CC(C)(C)NC(C)(C)C1 521842 UJDGYBXVRJRFQM-UHFFFAOYSA-N 306.406 2.296 0 40 DEAB Cc1nc(CSCC(=O)N2CCc3sccc3C2)no1 46865542 GXIDXPGEFLQFAC-UHFFFAOYSA-N 309.416 2.258 0 40 DEAB O=S(=O)(Cc1c(F)cccc1F)N1CCOCC12CCC2 104334840 LGYKBDDTZLKUBM-UHFFFAOYSA-N 317.357 2.050 0 40 DEAB CN(C)c1ccccc1NC(=O)Cn1c(=O)cnc2ccccc21 23151955 LSJZWDFNTVJOAN-UHFFFAOYSA-N 322.368 2.101 0 40 DEAB COC(=O)C[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1 54394565 MJCMVCDRGPPEKP-CQSZACIVSA-N 308.353 2.182 0 40 DEAB O=C(NC[C@H]1CCCO1)c1n[nH]c2ccc(Br)cc12 69699496 PIIBOBWQWGYERJ-SECBINFHSA-N 324.178 2.234 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)C1 42796511 PNJZLOLILINYMQ-HZPDHXFCSA-N 301.390 2.004 0 40 DEAB COc1ccc(Nc2cc(C)nc3ncnn23)cc1NC(C)=O 24214388 DDJSYXVFBFCVID-UHFFFAOYSA-N 312.333 2.143 0 40 DEAB Clc1ccccc1OCCN1CCO[C@@H](Cn2cccn2)C1 105888372 UTMKLOGTXMLEHV-CQSZACIVSA-N 321.808 2.316 0 40 DEAB NC(=O)CSc1ccccc1NCc1nc(C2CC2)no1 55827760 CVUXZWXTBLVETO-UHFFFAOYSA-N 304.375 2.137 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nc(C)no2)C1 56131125 HYYGQVZHBLDMPI-NSHDSACASA-N 304.350 2.257 0 40 DEAB CCc1ccc(-c2cc3c(=O)n(CCC(=O)O)ccn3n2)cc1 57352151 VAFFTSQCDHBZMY-UHFFFAOYSA-N 311.341 2.200 0 40 DEAB CC(C)CNC(=O)CSc1nnc(-c2ccccc2)n1C 3297723 SLXVSTBXZSCXRT-UHFFFAOYSA-N 304.419 2.346 0 40 DEAB CCS[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)Cn2cncn2)C1 110663057 CQEPVCXTCUICLM-JHJVBQTASA-N 311.455 2.030 0 40 DEAB Cc1cc(NC(=O)NCc2ccc(OCC3CC3)nc2)no1 58191392 WZMZJXZMQMVARK-UHFFFAOYSA-N 302.334 2.489 0 40 DEAB Cn1cc(CCC(=O)Nc2cccnc2N2CCCCC2)cn1 58278208 UEPSWIWVNUAJPG-UHFFFAOYSA-N 313.405 2.377 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)n1C 44948896 CWTHCJFNNFXGAF-AWEZNQCLSA-N 320.462 2.497 0 40 DEAB CS(=O)(=O)c1ccc([C@H](O)Cn2cnc3ccccc32)cc1 44974139 LWBNHWVLFNMDCC-MRXNPFEDSA-N 316.382 2.173 0 40 DEAB COc1ncccc1C(=O)NC[C@H](c1cccs1)N(C)C 44907585 HMRSOXLUMOYXDD-GFCCVEGCSA-N 305.403 2.184 0 40 DEAB Cc1ccc(C(=O)NC2CCN(c3ncccn3)CC2)s1 36394070 IGWUUQFNDNQQOL-UHFFFAOYSA-N 302.403 2.245 0 40 DEAB CONC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1 12630469 UWUDDWQCZMFSFS-UHFFFAOYSA-N 320.370 2.087 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@H]2CCCN(c3ncccn3)C2)C1 36416372 YCWUDPDXOFROQA-KFWWJZLASA-N 302.422 2.198 0 40 DEAB C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)[C@H]1CCCO1 48172360 ZQKPFLJTYNAVFP-TZMCWYRMSA-N 304.394 2.371 0 40 DEAB COc1ccc([C@H](C)NC(=O)[C@@H](C)n2cccn2)c(OC)c1 45426163 JEQDAEDVNSUJKY-NWDGAFQWSA-N 303.362 2.339 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 69897636 KUGUWXPLASSXFF-GJZGRUSLSA-N 304.438 2.337 0 40 DEAB Cc1cccc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1O 3457645 ZNRNBFIJRILAST-UHFFFAOYSA-N 317.316 2.313 0 40 DEAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nnc(C)s1 3422136 QCUVZUUIORZKGL-UHFFFAOYSA-N 321.358 2.075 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)c1C 3597173 XAMHFEBAOUUDMG-AWEZNQCLSA-N 317.389 2.208 0 40 DEAB O=C(CCNC(=O)c1ccco1)Nc1nc2c(s1)CCCC2 8748800 CAWXFAZYPLJDGC-UHFFFAOYSA-N 319.386 2.374 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4505013 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Cc1cc([C@](C)(O)CNc2nc3ccccc3c(=O)[nH]2)c(C)o1 78308160 TYZZMRJYJTUUKE-QGZVFWFLSA-N 313.357 2.453 0 40 DEAB Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@@H]3CCCN3)cc2F)c1 72500775 GQMRLCPXUISRCN-DOMZBBRYSA-N 316.380 2.249 0 40 DEAB O=c1ccccn1Cc1cn2cc(Br)ccc2n1 84606417 QEJZVWYRDUQWTK-UHFFFAOYSA-N 304.147 2.307 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@@H](C(=O)O)c1ccccc1 95408267 BLIISTYEIWVFDJ-OAHLLOKOSA-N 301.317 2.353 0 40 DEAB Cc1cc(=O)c(C(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)c[nH]1 88198880 PZDLJYVQMMHLDU-LIRRHRJNSA-N 308.381 2.317 0 40 DEAB O=C(CCc1ccccc1)N1CCCN(C2CCOCC2)CC1 95960638 HIKGZLUTAIMMAN-UHFFFAOYSA-N 316.445 2.333 0 40 DEAB COc1cc([C@@H]2NC(=O)c3cccnc3N2)cc(Cl)c1O 89424104 JPFFTIOSULQSAY-LBPRGKRZSA-N 305.721 2.303 0 40 DEAB COc1cc(NC(=O)N2CC(OC)(c3ccccc3)C2)ccn1 554530539 QLSDQKPPSFYEDL-UHFFFAOYSA-N 313.357 2.480 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N(C)CC2(CO)CC2)cc1F 186844425 DDVHSJLNGFHEJW-LLVKDONJSA-N 310.369 2.309 0 40 DEAB CC(C)(O)[C@@H]1CCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 535010974 SPFDZSNTJGJTRN-STWSTGMMSA-N 320.477 2.163 0 40 DEAB C[C@H]1CC[C@H](C(=O)N2CCC(Cn3cnccc3=O)CC2)CC1 670633028 STNKJNYEZDYVKY-KOMQPUFPSA-N 317.433 2.308 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@H](O)C(C)(C)C 79029012 KXGCCASOKXTJJO-LBPRGKRZSA-N 312.797 2.110 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217556563 HPFKJKQDMBFMOI-JTQLQIEISA-N 314.407 2.282 0 40 DEAB CN(Cc1cccs1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1 72239570 ZUOZJXDRQYDEEW-CQSZACIVSA-N 318.398 2.491 0 40 DEAB Cn1nccc1C(=O)N1CCC(O)(c2ccccc2Cl)CC1 192405121 VBENAIQCMAPDAY-UHFFFAOYSA-N 319.792 2.197 0 40 DEAB COCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 48571905 MIHMCPLYBJFZDX-UHFFFAOYSA-N 324.686 2.060 0 40 DEAB CCN(CC(=O)O)c1ccc(I)cc1 224990585 TVSOTYGLOFPRIZ-UHFFFAOYSA-N 305.115 2.202 0 40 DEAB CCOC[C@@H](O)COc1ccccc1I 193825337 KPBIDWPMJSUDDM-SECBINFHSA-N 322.142 2.067 0 40 DEAB O=C(Cn1cnc2ccccc21)NCc1cnn2ccccc12 75162667 BBIIGIBHUKRJFT-UHFFFAOYSA-N 305.341 2.000 0 40 DEAB O=C(Nc1ccccc1Br)C(=O)NC1CCCC1 42645781 MITKWVPINJWIIY-UHFFFAOYSA-N 311.179 2.446 0 40 DEAB NC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCCC3)c(Cl)c2)C1 45958280 KMZQNBXVDUHMHK-NSHDSACASA-N 321.808 2.169 0 40 DEAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1csnn1 88201432 PUZGVWHKRAUCHN-LBPRGKRZSA-N 302.403 2.409 0 40 DEAB CN1CCCN(S(=O)(=O)c2cccnc2)c2cc(F)ccc21 96419775 OHMFJMIUGRDIQD-UHFFFAOYSA-N 321.377 2.256 0 40 DEAB O=C(N[C@@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12)C1CC1 96185900 CKHCPZPXJBMFOW-RBSFLKMASA-N 306.431 2.006 0 40 DEAB CC(C)(C)OC(=O)NCCN1C(=O)O[C@@H](c2ccccc2)C1=O 91690457 LBUOHSXWQPJCEU-LBPRGKRZSA-N 320.345 2.231 0 40 DEAB O=C(NC1CC1)[C@H](Cc1ccccc1)N[C@@H]1CCCSC1 97371058 BKWQCMDLZOTEQZ-CVEARBPZSA-N 304.459 2.362 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H](c2ccnc(O)n2)C1 257205553 AZPWTOXAKLYQEH-LLVKDONJSA-N 323.356 2.078 0 40 DEAB Cc1ncsc1CN1CCO[C@@H](c2cccc(N(C)C)n2)C1 257253544 JZIGEZZHSDRXFH-CQSZACIVSA-N 318.446 2.486 0 40 DEAB CN(C)C(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1ccccc1)C2 585103349 UTPCNNBXLNGSQX-MAUKXSAKSA-N 300.402 2.407 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)C(=O)NC[C@H]2C[C@H]2C)c1 42054520 JZFPFJLENWFKOH-VXGBXAGGSA-N 320.389 2.195 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H](n2cccn2)C1 69371234 IMHYGAIXERCIBI-HNNXBMFYSA-N 323.400 2.405 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 69707085 ALKHNDVVYVLVJC-NEPJUHHUSA-N 321.812 2.245 0 40 DEAB C[C@H](O)CN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 85436793 JBBPKIGVEJMASV-AWEZNQCLSA-N 322.474 2.085 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccccc2C(F)(F)F)N1 5819125 JQRZYQCMCRYNFV-GHMZBOCLSA-N 311.263 2.117 0 40 DEAB C/C=C1\CN2[C@H]3C[C@@]45c6ccccc6N(C)[C@@H]4[C@H]2C[C@@H]1[C@H]3[C@H]5O 5832029 VBEQZFNVRMPLSM-JYCCBUQQSA-N 308.425 2.156 0 40 DEAB CCn1ccnc1N1CCN(C(=O)c2ccccc2F)CC1 12444564 ZHIDSBZATMTJTE-UHFFFAOYSA-N 302.353 2.005 0 40 DEAB CCCc1c(C)[nH]c2[nH]n(-c3ccc(F)cc3)c(=O)c2c1=O 17030655 WKPAYWWIXIXJHG-UHFFFAOYSA-N 301.321 2.407 0 40 DEAB CCN(CC)[C@@H](CNC(=O)c1cnn[nH]1)c1ccccc1Cl 19526302 SFOABWOFPZCNTP-AWEZNQCLSA-N 321.812 2.271 0 40 DEAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1nccn1C 19527181 ARUMENPLZYFSKN-QGZVFWFLSA-N 313.449 2.302 0 40 DEAB Cc1cc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)cc(=O)o1 206967098 ILYLCTLYXUCLKC-ZDUSSCGKSA-N 319.382 2.232 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC[C@H](Oc3cnccn3)C2)s1 225470707 BNUBKDVFNQSVAT-LBPRGKRZSA-N 318.402 2.234 0 40 DEAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1nncs1 21213900 WIYMJXXBYWEEAF-NSHDSACASA-N 322.365 2.070 0 40 DEAB Cc1sc(-c2ccco2)nc1C(=O)N1CCC(C(N)=O)CC1 30554476 GQIQABGAHTWZLE-UHFFFAOYSA-N 319.386 2.049 0 40 DEAB CN(Cc1ccsc1)S(=O)(=O)c1cccc(C(=O)O)c1 35123682 XTHKIJYWXXAURO-UHFFFAOYSA-N 311.384 2.267 0 40 DEAB CCc1cc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)no1 2037684446 GMJNITZALOBPBR-LBPRGKRZSA-N 300.362 2.031 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1 30731853 OLZBEISZRJBRSU-PCZDNEIUSA-N 315.398 2.422 0 40 DEAB Cc1cc(C)c(C)c(OCCCNc2ccc3nnnn3n2)c1 40480460 OQQWLRIURVAYOG-UHFFFAOYSA-N 312.377 2.326 0 40 DEAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)[C@H](C)CO1 40501449 BONFEPFAXDBOSF-ZJUUUORDSA-N 307.781 2.186 0 40 DEAB Cc1cc(F)ccc1CCNC(=O)N[C@@H](C)c1cnn(C)c1 87122897 ZEIYBZMNOVCJLS-LBPRGKRZSA-N 304.369 2.471 0 40 DEAB CC(C)COC(=O)N1CCCN(C(=O)c2ccccn2)CC1 60018147 VEUNQXVVLXPTAM-UHFFFAOYSA-N 305.378 2.022 0 40 DEAB C[C@H]1CN(Cc2nc3c(oc4ccccc43)c(=O)[nH]2)C[C@H](C)O1 20963084 HEBMMEIANSPWLR-QWRGUYRKSA-N 313.357 2.279 0 40 DEAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)C2[C@H]3CCC[C@H]23)cn1 101843126 ZBCHCKNAMLFVCT-IHRRRGAJSA-N 301.390 2.030 0 40 DEAB CN(C)[C@H](CNc1ncnc2c1cnn2C)c1ccc(F)cc1 52486089 MUBAJJBUANVHQZ-CQSZACIVSA-N 314.368 2.217 0 40 DEAB CCNC(=O)C(C)(C)CNc1ccc(Br)cn1 89977379 VKBJAVLAFRXBIR-UHFFFAOYSA-N 300.200 2.418 0 40 DEAB COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C1=COCCO1 547301 UVYPUCXOLBJKDU-UHFFFAOYSA-N 316.313 2.090 0 40 DEAB COCCOc1ncccc1C(=O)Nc1cccc2cn[nH]c12 53000956 WERFHKIWLBDWAZ-UHFFFAOYSA-N 312.329 2.235 0 40 DEAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1ncccc1O 22102374 SLONXFWNZTWLGL-GFCCVEGCSA-N 311.341 2.317 0 40 DEAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1OC 3061375 ZWTJQXNULDPAJV-UHFFFAOYSA-N 300.314 2.055 0 40 DEAB CCN(CC)C(=O)CN1CCN(c2cccc(Cl)c2)CC1 57712333 GQJHHKRUEGDPQC-UHFFFAOYSA-N 309.841 2.330 0 40 DEAB O=C(Cc1csc(-c2ccco2)n1)NCCCn1ccnc1 43579820 KQTFERKMQJSMLN-UHFFFAOYSA-N 316.386 2.349 0 40 DEAB Cc1c(C(=O)NC[C@@H]2CCCOC2)cnn1-c1ccccc1F 55922901 QLUGNRQOPHMVAZ-ZDUSSCGKSA-N 317.364 2.476 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1Cc2ccccc2CN1 35360383 CWFYYILRGMKQTL-HNNXBMFYSA-N 310.353 2.111 0 40 DEAB CCOCCO[C@H](C)C(=O)NCc1csc(C(C)(C)C)n1 69458992 CQHDETVKHOCQKN-LLVKDONJSA-N 314.451 2.498 0 40 DEAB Cc1cc2nn(-c3cccnc3)nc2c(Br)c1N 57353843 HQFHSDXRUIIUBH-UHFFFAOYSA-N 304.151 2.469 0 40 DEAB O=C(N1C[C@H]2CC[C@H]1C2)C1(C(=O)N2C[C@H]3CC[C@H]2C3)CCC1 108459210 ZVGUPSHXSWLEIG-AJNGGQMLSA-N 302.418 2.179 0 40 DEAB CC1(C)O[C@H]2O[C@H](CN3CCC[C@H]3c3ccccc3)[C@H](O)[C@H]2O1 22115924 FXRSTNMDEDRDHF-DMRKSPOLSA-N 319.401 2.061 0 40 DEAB CCSc1ccc(NC(=O)N2CCC[C@H](NC(C)=O)C2)cn1 69416288 ZONPTOCVMUBCOH-ZDUSSCGKSA-N 322.434 2.326 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2cccnc2)on1 58168196 JSOHPXDCBKMNHH-UHFFFAOYSA-N 321.296 2.159 0 40 DEAB CC(C)OCCCNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 44896986 VZBDATWSRUFUNT-CYBMUJFWSA-N 308.353 2.183 0 40 DEAB CCCn1nnnc1CN1CC=C(c2ccc(OC)cc2)CC1 44950747 NBDLFWHMNFEEPO-UHFFFAOYSA-N 313.405 2.381 0 40 DEAB O=C(c1ccc2c(=O)[nH]c(S)nc2c1)N1CCCCCC1 44917273 UVECKFJYFAJYEU-UHFFFAOYSA-N 303.387 2.228 0 40 DEAB CCN(CC)c1ccc(NC(=O)N[C@H](C)Cn2cccn2)cn1 48173262 SZWOLSCRQFKAAW-CYBMUJFWSA-N 316.409 2.335 0 40 DEAB O=C(CN(CCO)c1ccccc1)Nc1ccc(F)cc1F 3345183 VQCKBUYODMTNTF-UHFFFAOYSA-N 306.312 2.402 0 40 DEAB O=C(NCCNc1ncnc2ccsc12)c1ccc(O)cc1 59023389 FTRRXLLVTFAEMP-UHFFFAOYSA-N 314.370 2.239 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ncccn2)C(C)C)cc1 12759133 LLQWEZDKWGCQHH-CQSZACIVSA-N 312.373 2.178 0 40 DEAB O=C(CSc1nc(C2CC2)n[nH]1)c1ccc2c(c1)OCO2 11471835 CTLKLSTWXQJWTE-UHFFFAOYSA-N 303.343 2.386 0 40 DEAB COC(=O)/C=C/c1ccc(OCC(=O)NCC(C)C)c(OC)c1 12789564 IBNRYIDGVDVLMV-SOFGYWHQSA-N 321.373 2.032 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1 69563137 GSDQIZXLPXEZFF-INMHGKMJSA-N 324.355 2.372 0 40 DEAB C[C@H](O)CN1CCN(Cc2csc(Br)c2)CC1 69652522 BEZSLHKYOAWZFR-JTQLQIEISA-N 319.268 2.009 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1 4157396 PDGZTZWXZMAORN-CUFDPUGPSA-N 313.353 2.399 0 40 DEAB Fc1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)co2)cc1 69872222 FHIAVPLOGPJVAN-CYBMUJFWSA-N 313.336 2.177 0 40 DEAB Cc1ccc(CNC(=O)NCCc2ccc3c(c2)OCO3)n1C 65449207 PECZWJLYTBHGOH-UHFFFAOYSA-N 315.373 2.104 0 40 DEAB CN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 8710976 GMKPYTLDETXRRB-UHFFFAOYSA-N 318.398 2.165 0 40 DEAB CCn1c(C)c(C(=O)NCCN(C)C)c2cc(OC)ccc21 5353309 XBQSNTSQBBOZRB-UHFFFAOYSA-N 303.406 2.270 0 40 DEAB CCN(CC)CCNC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 14168695 DMTMBBNTLDKDKP-LLVKDONJSA-N 321.446 2.191 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc(F)cc(F)c1 59977496 ZPGPUJALTONDDG-AWEZNQCLSA-N 305.280 2.391 0 40 DEAB 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2.034 0 40 DEAB Cc1cccc(C(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)n1 71796098 VBRMPQNHQQNXIB-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB CN(Cc1ccccc1)C[C@H](O)Cn1ccnc1-c1ccncc1 96435804 ASDPVRVEAVJQOD-SFHVURJKSA-N 322.412 2.438 0 40 DEAB Cc1n[nH]cc1CNCc1ccnc(OCC(F)(F)F)c1 71819580 ZTJQRCOQALECNO-UHFFFAOYSA-N 300.284 2.344 0 40 DEAB Cc1cccc(CC(=O)NCc2ccc(-c3nnn[nH]3)cc2)c1 71896259 WBVSTVGYMQRAOR-UHFFFAOYSA-N 307.357 2.034 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@H]1Cn1cc(C)cn1 71869702 JPRVQYYALVANIK-LBPRGKRZSA-N 319.434 2.303 0 40 DEAB C[C@H]1CN(C2CCN(c3ncnc4ccccc34)CC2)CCO1 71821720 OUINPDJAZKBBDB-AWEZNQCLSA-N 312.417 2.319 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1 71825531 NURNBLIADLKVLF-GFCCVEGCSA-N 301.342 2.434 0 40 DEAB CC(C)[C@H](C(=O)OCc1ccc(Cl)nc1)N1CCCC1=O 71853921 SWIUTZOYMITIIE-CQSZACIVSA-N 310.781 2.425 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2Cn2cccn2)cs1 71866648 PUBGLOGQTJPAFB-ZDUSSCGKSA-N 304.419 2.136 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cn1 71869868 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Cc1ccc(C[C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1 71915286 ZKZBZIZBOCZSOU-SECBINFHSA-N 319.430 2.128 0 40 DEAB Oc1nc(-c2ccnc(N3CCOCC3)c2)nc2ccsc12 96721137 WQSWPFMXIHYWDC-UHFFFAOYSA-N 314.370 2.296 0 40 DEAB CCn1cc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)o2)cn1 72286612 MIGIJVRBFXSWLF-ZDUSSCGKSA-N 309.391 2.330 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 72235674 VGFGIEJBFUZRAJ-LBPRGKRZSA-N 319.434 2.391 0 40 DEAB Cc1ccc(C)n1[C@@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1 72279902 HIVYNPQOZOIPDJ-AWEZNQCLSA-N 315.421 2.423 0 40 DEAB Cc1cc(NC(=O)CCN(C)Cc2ccc(Cl)nc2)no1 78968987 IZRHFJTZLYTEMH-UHFFFAOYSA-N 308.769 2.492 0 40 DEAB O=S1(=O)CCN(CCCc2ccc(C(F)(F)F)cc2)CC1 84397994 IQYIPMIZPXEWNW-UHFFFAOYSA-N 321.364 2.368 0 40 DEAB Cn1ccc(C(=O)N(CCN2CCOCC2)c2ccccc2)c1 84318903 JYQLLKWSAXACRW-UHFFFAOYSA-N 313.401 2.004 0 40 DEAB COC(=O)c1ccc(-c2noc(CC3(O)CCCC3)n2)cc1 97376812 MDGFEAUNNIPMCH-UHFFFAOYSA-N 302.330 2.371 0 40 DEAB Cn1ncc(C(=O)N[C@H]2CCCC[C@H]2Oc2ccccc2)c1N 97375985 PFJKSSVWSSCPHM-LSDHHAIUSA-N 314.389 2.122 0 40 DEAB CC1CCN(C(=O)[C@@H]2CCCN(CCCc3cn[nH]c3)C2)CC1 72635982 KPWUFVDGPRYYJY-QGZVFWFLSA-N 318.465 2.313 0 40 DEAB CCn1nccc1/C=C/C(=O)Nc1ccc(C(=O)OC)c(F)c1 95435394 YPZFBURRUVZARG-FNORWQNLSA-N 317.320 2.481 0 40 DEAB O=C(CCC(F)(F)F)N1CCN(c2cccc(O)c2)CC1 95429425 JGWCRUKPKGNPPR-UHFFFAOYSA-N 302.296 2.383 0 40 DEAB Cn1ncnc1NC(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984875 DLSUIBYLQYGCGY-RYUDHWBXSA-N 321.768 2.120 0 40 DEAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2nnc3n2CCC3)C1 89274934 BQOUUPUUAFFSIP-VXGBXAGGSA-N 323.466 2.040 0 40 DEAB Cc1cc([C@@H](C)NC(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)o1 89580435 QPLRWSUBGDXCSX-GXSJLCMTSA-N 316.423 2.080 0 40 DEAB Cn1ccc(C(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)cc1=O 89756652 NQRUTPNIVWTGJC-HOTGVXAUSA-N 312.369 2.115 0 40 DEAB O=C1C[C@@]2(CCSC2)C(=O)N1Cc1cnc(Cl)s1 89739095 CAVKPEYXXWNDCX-LLVKDONJSA-N 302.808 2.179 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)OC1(c2ccccc2)CCC1 89827732 DAEHMCQWVJOZHO-ZDUSSCGKSA-N 308.399 2.434 0 40 DEAB 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COc1ccc(CCNC(=O)NCc2cnn3ccccc23)cc1 75162924 LNPUABDOHNXDTM-UHFFFAOYSA-N 324.384 2.385 0 40 DEAB O=S(=O)(NC[C@H](O)c1ccoc1)c1cccc2ccccc12 75171861 AMGDPMXUFQQCDI-HNNXBMFYSA-N 317.366 2.445 0 40 DEAB COc1ccc(S(=O)(=O)N2c3cc(N)ccc3C[C@@H]2C)cc1 225328477 XZEQZQDORCWVRD-NSHDSACASA-N 318.398 2.417 0 40 DEAB CCn1ncnc1CS(=O)(=O)[C@H]1CCCc2ccccc21 195299602 UGHHKICYKUTCDD-AWEZNQCLSA-N 305.403 2.290 0 40 DEAB COc1ccc([C@H](C)[C@H](C)NC[C@@](C)(O)c2cnn(C)c2)cc1 195541009 RQZPVTXIGZYQMM-QWQRMKEZSA-N 317.433 2.418 0 40 DEAB O=C(c1cnc2ccccc2n1)N1[C@H]2CC[C@H]1c1cncnc1C2 225670516 XCDRHNBSTJGWRY-GTNSWQLSSA-N 317.352 2.322 0 40 DEAB COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1cc(C)on1 96197877 PPKJAHNOWPJPJI-INIZCTEOSA-N 316.405 2.335 0 40 DEAB CC(C)CCNC(=O)[C@H]1CC(=O)N(c2n[nH]c3ccccc23)C1 95475896 FTYVNFNPVQDIJW-LBPRGKRZSA-N 314.389 2.078 0 40 DEAB CSc1ccc(O[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 96419966 ZQICYUSJUZQOTG-LBPRGKRZSA-N 308.447 2.386 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C)n1)C2 96056751 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2.344 0 40 DEAB CC(C)OCc1cccc(NC(=O)NCCCc2nc[nH]n2)c1 390835565 QVUZRNRXAKTWSC-UHFFFAOYSA-N 317.393 2.484 0 40 DEAB CCO[C@@H]1COCC[C@H]1NC(=O)NCc1cccc2occc12 685938984 RYBCYEOQYFIJLN-GDBMZVCRSA-N 318.373 2.426 0 40 DEAB Cc1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)n[nH]1 67361235 PSUOZHRDEQOZLM-MRXNPFEDSA-N 312.417 2.360 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CCN(C[C@@H]2CCCO2)CC1 69057831 VVUNSMRXBFKEHN-HNNXBMFYSA-N 307.369 2.154 0 40 DEAB Cc1cnc(C(=O)N(C)Cc2nc3c(s2)CCCC3)cn1 83011250 DHPFMSZOKUYPKI-UHFFFAOYSA-N 302.403 2.393 0 40 DEAB Cn1c(CC(F)(F)F)nnc1N1CC[C@@H](C2CCOCC2)C1 566796639 MHQWZNKMADJEKX-LLVKDONJSA-N 318.343 2.173 0 40 DEAB CNC(=O)c1ccc(CNc2ncc(Br)cn2)cc1 96404950 QZIGKOUNVYPZFW-UHFFFAOYSA-N 321.178 2.211 0 40 DEAB CCOC(=O)/C=C/C(=O)OCC(=O)Nc1c(C)cc(C)cc1C 6011774 RAFRTSZVPLYBKB-VOTSOKGWSA-N 319.357 2.213 0 40 DEAB COCCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1 5171064 OSRFSJTZTAOFTM-UHFFFAOYSA-N 308.363 2.380 0 40 DEAB CS(=O)(=O)C[C@](O)(c1ccc(Cl)cc1)c1ccccn1 5550483 QEGDPRMHBTYDPK-AWEZNQCLSA-N 311.790 2.016 0 40 DEAB COC(=O)Cn1nc(C(c2ccccc2)c2ccccc2)oc1=O 12154253 NAYFARSYLFIPFN-UHFFFAOYSA-N 324.336 2.190 0 40 DEAB CSc1nc(C)c(CCOC(=O)c2ccccc2)c(=O)[nH]1 13142095 VLGHIWNOYMSVED-UHFFFAOYSA-N 304.371 2.200 0 40 DEAB Cn1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)c2cccnc21 13265401 YLYQGLVOEDPFBA-ZDUSSCGKSA-N 321.384 2.383 0 40 DEAB Cc1nc(NS(=O)(=O)c2ccccc2)nc2c1C(=O)CCC2 13636356 LTYRKPCAHODIPJ-UHFFFAOYSA-N 317.370 2.105 0 40 DEAB CCN(CC)c1cccc(NN=c2c(=O)c3ccccc3c2=O)c1 16678678 NHCPVCZJIRPXPE-UHFFFAOYSA-N 321.380 2.210 0 40 DEAB C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(N)=O 23416323 IADSZKYSGVHDHD-LLVKDONJSA-N 321.336 2.327 0 40 DEAB COc1cc(CCNC(=O)[C@@H]2CCCO2)ccc1OC(F)F 28018475 WKKPRGVTJXTQDW-LBPRGKRZSA-N 315.316 2.134 0 40 DEAB Cc1nnc(NC(=O)CCCc2nc(C(C)(C)C)no2)s1 33152890 WRHQLMLSPZWGJO-UHFFFAOYSA-N 309.395 2.488 0 40 DEAB O=c1c2nnn(-c3ccccc3)c2ncn1Cc1ccc(F)cc1 4266690 IUGCZYJECKTREN-UHFFFAOYSA-N 321.315 2.165 0 40 DEAB CN1CCO[C@@H]2CN(C(=O)c3cccc(Cl)c3)CC[C@@H]2C1 2055729992 NLKKTJDXAMOSDF-UKRRQHHQSA-N 308.809 2.133 0 40 DEAB O=C(CN1CCC(Oc2nccs2)CC1)NC1CCCC1 2086866019 GXJFFWOKYXEZON-UHFFFAOYSA-N 309.435 2.045 0 40 DEAB Cc1cccnc1OCC1CCN(C(=O)[C@H]2CCOC2)CC1 585527562 UBEYMOMWYZQNDM-HNNXBMFYSA-N 304.390 2.044 0 40 DEAB CCc1ncnc(N2CCC(NC(=O)C3CCC3)CC2)c1F 367209220 NPQAOSYYICZAOO-UHFFFAOYSA-N 306.385 2.063 0 40 DEAB O=C(Cn1cccc2cc([C@@H]3CCCNC3)nc1-2)N1CCCC1 12234124 XXWLFWDGMJNXGK-OAHLLOKOSA-N 312.417 2.077 0 40 DEAB O=C(c1ccc2c(c1)CCO2)N1CCN(c2nccs2)CC1 31895229 AMRLZZNKKPTGEW-UHFFFAOYSA-N 315.398 2.040 0 40 DEAB O=C(COc1cc(F)ccc1F)N1CCC[C@H](n2ccnc2)C1 69703916 VUWRINOLYRFPCC-ZDUSSCGKSA-N 321.327 2.404 0 40 DEAB O=C(NCCc1ccc(Br)s1)[C@@H]1CCCO1 21072770 OFPOWDSAXXCKKA-VIFPVBQESA-N 304.209 2.348 0 40 DEAB CC(C)n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2 4883271 RYINBEFZQUPVNQ-UHFFFAOYSA-N 320.374 2.000 0 40 DEAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1 69527731 CVZGLFDMWGUSHZ-CQSZACIVSA-N 318.417 2.464 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)Nc1cccc2c1ccn2C 69779703 VGZPRPLMKCQAJO-ZDUSSCGKSA-N 316.405 2.021 0 40 DEAB O=C1CC[C@@]2(C(=O)NCC(F)(F)F)Sc3ccccc3N12 32902317 CXIAJMQXWBXBMG-LBPRGKRZSA-N 316.304 2.294 0 40 DEAB O=c1n(Cc2cc(F)ccc2Br)nc2ccccn12 69628706 GXAWPTIYJFFWND-UHFFFAOYSA-N 322.137 2.446 0 40 DEAB C[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)C(=O)O 33452370 SWUWZNRMKJMKBD-SECBINFHSA-N 307.277 2.201 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H]1c1ccsc1)c1nncn1C 46963406 MFFXBPDDFOEAFT-ZYHUDNBSSA-N 305.407 2.484 0 40 DEAB CC[C@@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@H]1N(C)C 89948319 XTCLTRXASFWMGE-DGCLKSJQSA-N 312.845 2.070 0 40 DEAB O=C(c1ccc(F)cc1)N1CCN(CCc2ccncc2)CC1 54297401 BCXSLZUFFKCKMY-UHFFFAOYSA-N 313.376 2.221 0 40 DEAB COCCCNC(=O)c1ccc(Cn2cc(Cl)cn2)cc1 27969594 WTPRLIPNMIPGJF-UHFFFAOYSA-N 307.781 2.351 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cn1 47224031 LXJMTXXZQMCTMW-UHFFFAOYSA-N 312.297 2.016 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)NCc3ccccc3)C2)n1 54702928 MPLNWAWDWJDDKW-AWEZNQCLSA-N 300.362 2.467 0 40 DEAB CCOC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccncc2F)O1 107204854 FSWXNZODGZQOIH-CQDKDKBSSA-N 308.353 2.019 0 40 DEAB Cc1ccc([C@@H]2C[C@@H]2C(=O)OC[C@@H]2CCCN2C(N)=O)s1 76090615 JDDJMNRQSFCQRZ-TUAOUCFPSA-N 308.403 2.246 0 40 DEAB CSCC(=O)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 47895643 KMDRXRRMYGNMSZ-NSHDSACASA-N 301.433 2.010 0 40 DEAB CCc1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)o1 57145543 SQJJZRLZXNQJNV-UHFFFAOYSA-N 314.389 2.400 0 40 DEAB Cc1ccc2c(c1)N(C(=O)COC(=O)c1ccoc1)CCO2 57472157 ILDCCNSOQMEJNU-UHFFFAOYSA-N 301.298 2.170 0 40 DEAB CCCc1noc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1 78890310 OCOBLJKSTGCWIS-WDEREUQCSA-N 304.398 2.362 0 40 DEAB O=C(OCc1ccccc1)c1ccc(CN2C(=O)CNC2=O)cc1 11337223 NACMGRCGLPZLAP-UHFFFAOYSA-N 324.336 2.095 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1nc(-c3ccco3)no1)C2 69895063 QEJOLNOONSXPKF-UHFFFAOYSA-N 314.349 2.060 0 40 DEAB CN(C)C[C@H]1CN(CCCc2nc3ccccc3o2)CCO1 69950698 GRAZIWOGGALLKY-AWEZNQCLSA-N 303.406 2.023 0 40 DEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@@H](C)c1ccco1 13420313 IUADAOHDYFRDAV-JTQLQIEISA-N 319.313 2.243 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cn1 4222943 BUTPQNIUYIYVTA-NWDGAFQWSA-N 322.361 2.125 0 40 DEAB in-vitro C[C@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CCO1 8938635 IMQNFTNBVSXBSG-ZDUSSCGKSA-N 311.385 2.222 0 40 DEAB Cc1ccc2c(c1)N(S(=O)(=O)c1cccnc1)C[C@H](C)O2 96449260 CFGHIWPKRRDTOA-LBPRGKRZSA-N 304.371 2.366 0 40 DEAB CC(C)c1ccccc1OCCOCCN1CCN(C)CC1 22036957 PNVNWNWKGRZZJP-UHFFFAOYSA-N 306.450 2.453 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1ccc(Cl)cc1 409382623 VLSQZNNETAZASQ-YXMPFFBPSA-N 307.733 2.323 0 40 DEAB CNC(=O)[C@H]1CN(CCOc2ccccc2)c2ccccc2O1 7253691 VIRWRUFMGJRNGW-QGZVFWFLSA-N 312.369 2.079 0 40 DEAB CC(=O)Nc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1 9219838 DABQBBPNAXCBRV-UHFFFAOYSA-N 308.341 2.451 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2CC=CCC2)c1 7843217 QKXTYXLAODGTPM-LBPRGKRZSA-N 308.403 2.232 0 40 DEAB C[C@@H](O)CN1CCC(CNCC2=Cc3ccccc3OC2)CC1 69347479 UHKKMWPXMQHJKA-OAHLLOKOSA-N 316.445 2.145 0 40 DEAB Cc1cnn(CC(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)c1 71821595 HSAUNZZIUDKFPP-HNNXBMFYSA-N 319.792 2.445 0 40 DEAB NC(=O)[C@H](NC1CCN(c2ccccc2)CC1)c1ccccc1 71824466 FEFDPJUASMNRKF-GOSISDBHSA-N 309.413 2.472 0 40 DEAB COc1ccccc1C[C@@H]1CCCN1S(=O)(=O)N1CCCC1 71856540 OXQKZFWOILTWHF-HNNXBMFYSA-N 324.446 2.043 0 40 DEAB CC(C)OCCCC(=O)N1C[C@H](C)NC(=O)c2ccccc21 97085814 CXOSNURVPHPPJK-ZDUSSCGKSA-N 304.390 2.357 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)CCCn2ccnc2C)no1 84290816 XAAIYRXYZPROGZ-ZDUSSCGKSA-N 303.366 2.027 0 40 DEAB Cn1cnc(-c2ccc(NC(=O)c3cnc4ccccn34)cc2)n1 97140532 WLLOJTFFGPWTLD-UHFFFAOYSA-N 318.340 2.382 0 40 DEAB Cc1nn(Cc2nnc(-c3cccs3)o2)c(C)c1CCO 97115016 HPFPOTNIQIPQIA-UHFFFAOYSA-N 304.375 2.195 0 40 DEAB O=c1ccnc2sc(N3CC[C@H]3c3ccccc3F)nn12 72313858 WZIOYHBCUXTTGR-NSHDSACASA-N 302.334 2.242 0 40 DEAB Cc1cc(C(=O)NCC(=O)Nc2cc(Cl)ccn2)c(C)o1 79014298 LGPGWEBIPVWJLX-UHFFFAOYSA-N 307.737 2.313 0 40 DEAB COCCCNC(=O)c1snc(-c2ccc(C)cc2)c1N 62007056 IMDDPASUGMDPML-UHFFFAOYSA-N 305.403 2.467 0 40 DEAB O=C(NCC1(O)CCOCC1)c1ccc2ccc(Cl)cc2n1 84316908 ZCNXTWIATDPWRW-UHFFFAOYSA-N 320.776 2.160 0 40 DEAB Cc1cccc(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1C 79094157 OTNKHFABZRBRRM-GFCCVEGCSA-N 309.431 2.341 0 40 DEAB CC(C)CNC(=O)[C@@H](C)N1CCC(Cc2cccnc2)CC1 95458262 VNMWGYRVULMRNO-OAHLLOKOSA-N 303.450 2.497 0 40 DEAB Cc1ocnc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O 95445859 KHMPIBLLKGPLMX-GFCCVEGCSA-N 317.320 2.048 0 40 DEAB Cc1cc(C)n(C[C@H](C)Nc2ccccc2S(C)(=O)=O)n1 95403128 DFVLIDDCMIYEOT-LBPRGKRZSA-N 307.419 2.404 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)NCCCN2CCOCC2)cc1F 88478502 CCQWAIQVZGDPNH-CQSZACIVSA-N 323.412 2.217 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1O 95997835 PVXZSBDUTUZKRB-OAHLLOKOSA-N 316.401 2.364 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)O)c1ccc(-c2cncnc2)cc1 74940534 AZBISCRUTBATGC-LBPRGKRZSA-N 314.389 2.275 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C1 89799951 MVBWFXPSLBCJAN-LBPRGKRZSA-N 306.431 2.284 0 40 DEAB c1ccc(Cn2ccnc2CCNc2ncnc3[nH]ncc23)cc1 89841112 QVTYSVXIHVQKGK-UHFFFAOYSA-N 319.372 2.252 0 40 DEAB CC[C@@H](C)N1CCN(C(=O)COc2ccc(OC)cc2)CC1 20084398 DFJHEBFOQLHCKO-CQSZACIVSA-N 306.406 2.017 0 40 DEAB Cc1nc(O)c2c(n1)CN(c1nc(C3CC3)nc3c1CCC3)C2 1548519256 IJNFOSGFFKFJHA-UHFFFAOYSA-N 309.373 2.167 0 40 DEAB C[C@H](C(=O)N1CC[C@H](c2nn[nH]n2)C1)c1cc2ccccc2o1 1548766008 UROUHNFPOWRJGQ-JQWIXIFHSA-N 311.345 2.066 0 40 DEAB Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)c(C)o1 38630212 JNSYRGBHNDZYIA-OAHLLOKOSA-N 318.373 2.293 0 40 DEAB CCS[C@H]1CC[C@@H](N(C)CC(=O)NCc2cccnc2)C1 76067774 CIETUICBKGCLBI-CABCVRRESA-N 307.463 2.304 0 40 DEAB CCc1nnc(Sc2ccc(C(F)(F)F)cc2N)n1N 70462315 KTXNUCKJICIXPL-UHFFFAOYSA-N 303.313 2.307 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc[nH]c2=O)cc1 72212316 MTJRJVAFLSUDNF-HNNXBMFYSA-N 318.398 2.209 0 40 DEAB CCC(=O)N1CCC[C@H]1c1nc(C)cc(Nc2ncccn2)n1 72383806 RRLMHQUTBYQPAV-LBPRGKRZSA-N 312.377 2.392 0 40 DEAB Cc1c[nH]nc1[C@H]1CCN(C(=O)COc2ccc(F)cc2)C1 72386114 CUARLMYUMYVSID-LBPRGKRZSA-N 303.337 2.252 0 40 DEAB COCCNS(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1 72414511 DICDUPPPUDIFJC-UHFFFAOYSA-N 321.398 2.287 0 40 DEAB NC(=O)CCc1cccc(C2CCN(Cc3ccccn3)CC2)n1 72360469 GFCIMUOROQWMKH-UHFFFAOYSA-N 324.428 2.274 0 40 DEAB COC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccoc1Br 225562147 DCWIHAIFWAHLMD-VXNVDRBHSA-N 316.151 2.114 0 40 DEAB CN(C)C(=O)c1ccc(NC(=S)NCc2cccnc2)cc1 225333002 ZAJHIIMVHUOCMB-UHFFFAOYSA-N 314.414 2.270 0 40 DEAB CCn1c(CC(F)(F)F)nnc1N1CCO[C@H](C(C)C)C1 569339300 AXZARJBMQFZIMA-JTQLQIEISA-N 306.332 2.264 0 40 DEAB CN(C)c1nccc(CNC(=O)c2c(F)cccc2Cl)n1 224235677 JUSJIYAESAWQMK-UHFFFAOYSA-N 308.744 2.265 0 40 DEAB C=Cn1cc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)cn1 225582674 GIRVQKPGUNUINX-LBPRGKRZSA-N 320.418 2.206 0 40 DEAB COc1c(C(=O)NCC(C)C)nnn1Cc1ccccc1Cl 96183604 WFROMVYCNXYKSI-UHFFFAOYSA-N 322.796 2.374 0 40 DEAB C[C@H](CNC(=O)NCc1nccn1C)Sc1ccccc1 96440538 WOIQRCCQPKYFPY-GFCCVEGCSA-N 304.419 2.400 0 40 DEAB C[C@H](CC(=O)N(C)C)NC1CCN(CC2CCCCC2)CC1 95421276 XMOXKASGYBHGNL-OAHLLOKOSA-N 309.498 2.488 0 40 DEAB COc1cccc(CN(C)C(=O)COc2ccc(C)cn2)c1 96447959 PADWCBCTLOCMFV-UHFFFAOYSA-N 300.358 2.436 0 40 DEAB Cc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)N(C)C 96446040 CLOLWNJOXMWEOF-UHFFFAOYSA-N 303.284 2.224 0 40 DEAB CC(C)=CCOc1cccc(C(=O)N[C@@H](C)Cn2cncn2)c1 96426235 MVAMQHBGFSUFSK-AWEZNQCLSA-N 314.389 2.442 0 40 DEAB C[C@@H](NC(=O)CN1CCCC[C@H]1c1nc[nH]n1)c1cccs1 245554547 HGCCTZKFFROLNT-NEPJUHHUSA-N 319.434 2.271 0 40 DEAB COCC[C@H]1CCOC12CCN(C(=O)c1csc(C)n1)CC2 248068228 XQMDUIOTTSWRBR-ZDUSSCGKSA-N 324.446 2.499 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2CCOc2ccc(F)cc2)n1 257335887 YMHLGXYZXPLUKI-HNNXBMFYSA-N 305.353 2.310 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCC[C@H](c2ccncn2)C1 257241150 HWUOBLYMVRTAKN-LBPRGKRZSA-N 312.373 2.363 0 40 DEAB O=C(Cc1cccs1)N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O 257305891 SRZKOYIZCHYYMY-BFYDXBDKSA-N 322.474 2.175 0 40 DEAB Cn1nc(C(F)(F)F)cc1CNCc1ccccc1C(=O)O 256051903 KZLDILHWUCUIDA-UHFFFAOYSA-N 313.279 2.427 0 40 DEAB CC1(C)Oc2ccccc2[C@H]2OCC3(C[C@@H]21)CN(CCO)C3 257214664 CMYGWBZRZIUOGN-GOEBONIOSA-N 303.402 2.230 0 40 DEAB CO[C@@H]1CN(C(=O)CCC(=O)O)CC[C@@H]1Cc1cccc(F)c1 585279830 QAZWJGWAXCKBMN-UKRRQHHQSA-N 323.364 2.097 0 40 DEAB CCCCN(CC(N)=O)Cc1nc2cc(Cl)ccc2n1C 52704121 MNRSROMYVOBODM-UHFFFAOYSA-N 308.813 2.314 0 40 DEAB O=C(CNC(=O)C1CC1)N[C@@H]1CCCC[C@H]1Cc1ccccc1 65621022 MWQMVWJOTDHRJA-DLBZAZTESA-N 314.429 2.430 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)[nH]n1 72234493 GGFMNPNLCVUUKA-CABCVRRESA-N 314.389 2.369 0 40 DEAB CNC(=O)c1cccc(NCCCc2nc3ccccc3[nH]2)n1 89392028 PYMURWLOIIQMSR-UHFFFAOYSA-N 309.373 2.362 0 40 DEAB Cc1nc([C@H]2CCCN(c3nccc(N4CCCC4)n3)C2)no1 76050261 UUGZHMFWOAMTAO-ZDUSSCGKSA-N 314.393 2.152 0 40 DEAB CN(CCCOCC(F)(F)F)S(=O)(=O)c1cccs1 77238498 RELQUXOXWLLUAJ-UHFFFAOYSA-N 317.354 2.338 0 40 DEAB Cn1nc(CNC(=O)NCc2cccs2)c2c1CCCC2 96099185 XSHZSSNZADONTM-UHFFFAOYSA-N 304.419 2.360 0 40 DEAB NC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCC2 146443 ZUILETGUSMRZSZ-UHFFFAOYSA-N 316.382 2.353 0 40 DEAB CC(C)(C)OC(=O)N[C@H](CC(=O)O)Cc1ccc2c(c1)OCO2 1772714682 HSEVEYRBERMUIT-NSHDSACASA-N 323.345 2.326 0 40 DEAB O=C(NC[C@@H]1CCCO1)Nc1c[nH]c2cc(Cl)ccc2c1=O 13565958 PDPMIQMTOKZQDU-JTQLQIEISA-N 321.764 2.482 0 40 DEAB CCn1ccnc1N1CCN(C(=O)c2cccc(F)c2)CC1 13693653 ZIQOUXYVIFQOPN-UHFFFAOYSA-N 302.353 2.005 0 40 DEAB COC(=O)C1=NN(c2cc(Cl)c(Cl)cc2N)C(=O)CC1 16189672 OIVLLQKIUOYYMF-UHFFFAOYSA-N 316.144 2.231 0 40 DEAB CC(C)n1c([C@H](C)N[C@@H]2CCN(C)C2=O)nc2ccccc21 162368185 SRIAIURXZLIFFG-GXTWGEPZSA-N 300.406 2.499 0 40 DEAB COc1ccc(NC(=O)NCc2nccc(N(C)C)n2)c(C)c1 206722939 BRNGNWNTSGSKFQ-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB Cc1cc(N2CCC[C@H](COc3ncccn3)C2)n2nccc2n1 1888869975 AGEYPZLJVXYNCJ-AWEZNQCLSA-N 324.388 2.123 0 40 DEAB CCc1ccc(C(=O)N2CC[C@@H]3OCCC[C@@]3(COC)C2)cn1 1565545278 CMNLPVHXZVGCKG-WMZOPIPTSA-N 318.417 2.302 0 40 DEAB Cc1ccccc1CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 4483571 AHSNKODKBLGZNY-CVEARBPZSA-N 320.352 2.488 0 40 DEAB Cc1ccc(Cn2cccc(C(=O)Nc3ccon3)c2=O)cc1 5270228 ZFTNHKPWHRKLKL-UHFFFAOYSA-N 309.325 2.445 0 40 DEAB COc1ccc(NC(=O)N2c3ccccc3C[C@@H]2C(N)=O)cc1 10256220 IKOAKPSSPCCGHV-OAHLLOKOSA-N 311.341 2.144 0 40 DEAB O=C(NC[C@H](c1ccsc1)N1CCOCC1)C1CCCC1 20950429 LMQMYDPQHIUNIA-OAHLLOKOSA-N 308.447 2.428 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3ccc(Cl)cn3)C2)nc1 2086884422 QDFCNXKOQITNDK-LLVKDONJSA-N 306.753 2.191 0 40 DEAB Cc1ncnc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)c1C 2086856778 MWZJCCRJCPAZLN-KBPBESRZSA-N 313.380 2.200 0 40 DEAB O=C1NCCN1C(=O)N1CCS[C@H](c2ccccc2)CC1 208043325 JXRKWQTZEGTBKL-ZDUSSCGKSA-N 305.403 2.312 0 40 DEAB C[C@](O)(CNC(=O)COc1ccccc1F)Cc1ccsc1 618256926 NVWLKCBELFGQQC-MRXNPFEDSA-N 323.389 2.376 0 40 DEAB CCOc1ccc(S(=O)(=O)N[C@H](CC)CO)c2ccccc12 11566204 NDEGIAGQJFRTTA-GFCCVEGCSA-N 323.414 2.288 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCc1c[nH]c2ccccc12 40285198 FJUOYKYVMLZEGK-UHFFFAOYSA-N 319.386 2.294 0 40 DEAB COc1cccc(CNC(=O)c2c(C)nn(C)c2Cl)c1OC 40498901 DTFVWGOBAMWOSO-UHFFFAOYSA-N 323.780 2.329 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(Br)c(C)c1 20303127 VHVHYIKFUJTSBW-MRVPVSSYSA-N 314.183 2.014 0 40 DEAB 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HDVRAGNJGSHWIW-OAHLLOKOSA-N 308.341 2.023 0 40 DEAB CCOC(=O)C1CCN(CNC(=O)c2ccc(Cl)cc2)CC1 20101453 PNFFOKIXQYLJTE-UHFFFAOYSA-N 324.808 2.302 0 40 DEAB CC(=O)Nc1ccc(CNC(=O)c2cnc3onc(C)c3c2)cc1 30984819 XTXDKCVSDZFTMB-UHFFFAOYSA-N 324.340 2.420 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)c2cnccn2)cc1OC 40487951 LGSUHHHUCAHQLN-AWEZNQCLSA-N 313.357 2.471 0 40 DEAB CCCc1nc(CN2CCN(c3ncccn3)CC2)cs1 40489918 LPHGJKXAGDADRZ-UHFFFAOYSA-N 303.435 2.208 0 40 DEAB CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)(C)C)c1ccccc1 1857794445 FTHWKVJZWZTHHZ-LSDHHAIUSA-N 317.433 2.014 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1 29248618 JACQRTJJUGXKJP-OAHLLOKOSA-N 302.378 2.240 0 40 DEAB O=C(CCc1nc(-c2ccco2)no1)N=c1[nH]c2ccccc2[nH]1 29462307 UXYLELLZNIJRIX-UHFFFAOYSA-N 323.312 2.199 0 40 DEAB Cn1ncc2c(N3CCO[C@H](c4ccc(F)cc4)C3)ncnc21 29528225 VOQNWFPLGSFBKA-AWEZNQCLSA-N 313.336 2.080 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 101359836 GKDUQVYCDVXQRK-UOVKNHIHSA-N 311.337 2.175 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 51983892 JRPUIUQUGVUJRL-ZWNOBZJWSA-N 324.783 2.420 0 40 DEAB CCc1nc(CN2CCC[C@H](NCc3ccsc3)C2)no1 69453979 ISFHGWHAPKQECD-ZDUSSCGKSA-N 306.435 2.448 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cccnc1Cl 4645136 XYXVAIJEBDFXQB-LBPRGKRZSA-N 304.733 2.161 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1C 102700453 AMQFSVREPWRWJE-GJZGRUSLSA-N 312.369 2.193 0 40 DEAB COCCN1CCN(CCOc2ccc3ccccc3c2)CC1 47461660 RFHCWNRBOLXENB-UHFFFAOYSA-N 314.429 2.483 0 40 DEAB COc1cc(C(=O)Nc2cccc(C)n2)cc2c1OCCO2 23701846 CWIJHOQXOIULTM-UHFFFAOYSA-N 300.314 2.422 0 40 DEAB Cc1ccc(O)c(C(=O)NCCc2ccc3c(c2)OCCO3)c1 24991594 NYWHATWRPRDMOS-UHFFFAOYSA-N 313.353 2.444 0 40 DEAB C[C@@H](Cc1ccc(O)cc1)NC(=O)NCCN1CCCCC1 56769107 CXZUOIIDAUZFTG-AWEZNQCLSA-N 305.422 2.108 0 40 DEAB Cn1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cn1 55122955 MLCAEEDPPQNJQB-LBPRGKRZSA-N 309.373 2.316 0 40 DEAB C[C@@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 26146709 PLQCGAIOZJHEMW-CQSZACIVSA-N 311.389 2.069 0 40 DEAB CC(C)(C)c1noc(CCC(=O)N(C[C@H]2CCOC2)C2CC2)n1 44941410 HPJJVCGOSNEOCG-GFCCVEGCSA-N 321.421 2.327 0 40 DEAB FC(F)(F)c1ccnc(N[C@H]2CCCN(c3ncccn3)C2)n1 44976690 YBOAOPQECRDWER-JTQLQIEISA-N 324.310 2.366 0 40 DEAB COc1ccc(OC)c([C@@H](O)CN(C[C@@H]2CCOC2)C2CC2)c1 58413938 FECKWOCJKGIMII-GUYCJALGSA-N 321.417 2.238 0 40 DEAB O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1ccc2c(c1)OCO2 62001530 HIVLLLMSCJPNTB-FUHWJXTLSA-N 308.337 2.340 0 40 DEAB biogenic Cc1nnc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)s1 36398388 NJYSKQWBNCELIW-NSHDSACASA-N 306.322 2.117 0 40 DEAB CN(CC(F)(F)F)C(=O)C1=NN(c2ccccc2)C(=O)CC1 58788121 KXZUYUQTHLYIQF-UHFFFAOYSA-N 313.279 2.190 0 40 DEAB O=Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1 3385890 VXDDDKFXKJICHB-UHFFFAOYSA-N 315.300 2.111 0 40 DEAB COc1ccc(-c2nnc(CN3C[C@@H](C)OC[C@@H]3C)o2)cc1 28984752 BNRHKBFPCKQNRK-NWDGAFQWSA-N 303.362 2.354 0 40 DEAB NS(=O)(=O)c1ccc(CNC(=O)CCC2CCCCC2)cc1 3315504 MJWBBCSJLXEKAZ-UHFFFAOYSA-N 324.446 2.311 0 40 DEAB CSc1cccc(-n2c(=S)[nH]cc(CC(=O)O)c2=O)c1 20156351 SCMJFNWNKFMIRE-UHFFFAOYSA-N 308.384 2.244 0 40 DEAB CC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 48234696 DOEPHVOLMJAQCO-KUCQQTCKSA-N 316.401 2.355 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(-n2cccn2)c1 48550425 AWEXTPOEMBTDPU-CYBMUJFWSA-N 310.361 2.279 0 40 DEAB COc1ccc2nc(NC(=O)CNC(=O)[C@@H]3C[C@H]3C)sc2c1 12981635 DNFWYFCMTLSXRH-PSASIEDQSA-N 319.386 2.016 0 40 DEAB Cc1ccccc1[C@@H](CC(=O)N(C)C1CCCC1)NC(N)=O 69515880 NKLBSRVTDMTLGC-OAHLLOKOSA-N 303.406 2.496 0 40 DEAB COc1ccc(CNC(=O)Cc2ccccc2F)cc1C(=O)O 13392970 JCCIEFKPKQNUAC-UHFFFAOYSA-N 317.316 2.391 0 40 DEAB CON(C)C(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 69669886 ZKMXRZAWKKCLAW-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB COc1ccc2c(c1)CCCN(C(=O)NC[C@H]1CCCO1)C2 69847748 SIUPAHUNAYCCFL-MRXNPFEDSA-N 304.390 2.332 0 40 DEAB CN(C(=O)CN1CCO[C@@H](c2ccc(Cl)cc2)C1)C1CC1 64142760 MDKXEDSDWSFZLB-OAHLLOKOSA-N 308.809 2.334 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)c1cnc2ccccn2c1=O 5053676 CTNKQHRVAXEYAV-CQSZACIVSA-N 321.380 2.446 0 40 DEAB COc1ccc(-n2cccn2)c([C@H]2CC(=O)Nc3n[nH]cc32)c1 65397131 BCRMQXSKKMVPQM-LLVKDONJSA-N 309.329 2.078 0 40 DEAB O=c1[nH]c(CNCc2ccco2)nc2sc3c(c12)CCC3 5268547 BAYPQQJSXWDQCQ-UHFFFAOYSA-N 301.371 2.356 0 40 DEAB COc1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 6378048 STEKAGDWSOJOJV-UHFFFAOYSA-N 319.382 2.029 0 40 DEAB O=S(=O)(NCCCOCC1CC1)c1ccc(F)c(F)c1 65493746 FKIHRDOMUVDIGQ-UHFFFAOYSA-N 305.346 2.060 0 40 DEAB Cc1cc(C)nc(NC(=O)[C@H](C)Oc2ccc3c(c2)OCO3)n1 27974613 YNLVHFJNMUHZPX-NSHDSACASA-N 315.329 2.228 0 40 DEAB O=C(Nc1cc(F)cc(F)c1)c1n[nH]c(=O)c2ccccc12 14121818 GZKGTVGYZNAXAN-UHFFFAOYSA-N 301.252 2.454 0 40 DEAB COc1ccc([C@@H]2CCCN2Cn2nc3ccccn3c2=O)cc1 14201263 FKWKYVBGYKIZBC-INIZCTEOSA-N 324.384 2.299 0 40 DEAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1n[nH]c(=S)n1N 5789695 BQKALSJYBJGHAK-QMMMGPOBSA-N 301.416 2.266 0 40 DEAB Cc1ccccc1Nc1nc(N)nc(COC(=O)[C@@H]2C[C@@H]2C)n1 6832219 AUBVBJNLJNZQBH-WDEREUQCSA-N 313.361 2.205 0 40 DEAB CCCc1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 4975813 UHZBBJMZZAEKHP-VIFPVBQESA-N 310.423 2.076 0 40 DEAB CNC(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C)c1 7114976 KEVSIZRFTWVPLZ-CYBMUJFWSA-N 323.396 2.436 0 40 DEAB Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)on1 7226744 SRKLBGQOGJNUOB-CQSZACIVSA-N 300.314 2.160 0 40 DEAB Cn1ncc(Cl)c1-c1nn2c(-c3ccco3)nnc2s1 71284525 FMFPESVZTFNBKY-UHFFFAOYSA-N 306.738 2.500 0 40 DEAB Cc1cc(Nc2ccc(C(N)=O)cc2)nc(-n2nc(C)cc2C)n1 7570785 BRRUKVHCJQONIC-UHFFFAOYSA-N 322.372 2.430 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7608389 RWEAEEJKRCYUEE-CJNGLKHVSA-N 318.398 2.282 0 40 DEAB CC1CCC(N(C(=O)[C@@H]2CCCN(C(N)=O)C2)C2CC2)CC1 68258787 VZISCYJVMTXUMJ-ROKHWSDSSA-N 307.438 2.347 0 40 DEAB O=C(CSC1=NCCS1)N1CCC(c2ccccc2)=N1 69052210 MEOJGUSPNLGYHL-UHFFFAOYSA-N 305.428 2.459 0 40 DEAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N1CCCCC1 71405244 GBABCNMDEPUMFE-CQSZACIVSA-N 300.410 2.398 0 40 DEAB N=C(NCc1ccccc1)NCc1cccc(N2CCOC2=O)c1 69350390 HQCUGBWAAGYAGV-UHFFFAOYSA-N 324.384 2.457 0 40 DEAB C[C@H](c1cccc(O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C 71892982 VVVRAPAOLAMBFQ-LLVKDONJSA-N 307.394 2.009 0 40 DEAB CN(C)C(=O)CN(C)C(=O)[C@@H](OC1CCCC1)c1ccccc1 71862893 KWPOUDCMBCSOIR-KRWDZBQOSA-N 318.417 2.234 0 40 DEAB Cc1ccccc1C[S@](=O)CC(=O)NCCCOC(C)C 71858835 AFPZRVFYMGPWOM-OAQYLSRUSA-N 311.447 2.175 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)c1 71865968 VLNYIGLIRLRYNW-LSDHHAIUSA-N 301.394 2.030 0 40 DEAB COc1ccc(C[C@@H](C)N(C)CC(=O)Nc2nncs2)cc1 71900525 SAKZDVRTFOQIGY-LLVKDONJSA-N 320.418 2.048 0 40 DEAB COc1ccccc1N1CC[C@H](N[C@H]2CCCSC2)C1=O 97084624 PPXDAVIWBRFNIX-STQMWFEESA-N 306.431 2.286 0 40 DEAB C[C@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)n1cccc1 97017899 OYYNDUHJAPAFPM-CZUORRHYSA-N 312.369 2.477 0 40 DEAB CC(C)(C)[C@H]1CCc2nc(NC(=O)c3n[nH]c(O)n3)sc2C1 97047650 MNSQBIDCGYNASR-ZETCQYMHSA-N 321.406 2.370 0 40 DEAB N[C@H]1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)C1 97019587 LVYBXJPKNUDKQN-LBPRGKRZSA-N 305.378 2.046 0 40 DEAB Cc1ccc(NC(=O)Cn2ncc3cccnc3c2=O)c(C)c1 95399414 ILASEWPDNDGZOV-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB Cc1cccnc1[C@H](NC(=O)c1nc2nccc(C)n2n1)C(C)C 79358147 IJWGPWYZUXEZLO-CYBMUJFWSA-N 324.388 2.263 0 40 DEAB COc1cccc2cc(CNC(=O)c3nccn4ccnc34)oc12 95404220 LRJUIIZFJGHZAM-UHFFFAOYSA-N 322.324 2.414 0 40 DEAB C[C@@H]1CCC[C@H](C(=O)NCCS(=O)(=O)Nc2ccccc2)C1 95401269 VCRWPLZKQLTGJP-KGLIPLIRSA-N 324.446 2.371 0 40 DEAB CN1CCCN(CCN2C(=O)CCC2=O)c2cc(Cl)ccc21 95432196 FGLVGNFVTAMNGC-UHFFFAOYSA-N 321.808 2.135 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](NCc2cc3ccccc3s2)C1 95412220 QSARCPFISLZMEX-CYBMUJFWSA-N 324.471 2.415 0 40 DEAB CCNc1nc(C(=O)Nc2nncn2-c2ccccc2)cs1 95988441 GQHHCTAWUXRZMT-UHFFFAOYSA-N 314.374 2.408 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[C@H]2O)cn1 89694400 NURNHVMOSDNMIW-WCQYABFASA-N 312.435 2.227 0 40 DEAB CC(C)[C@@H](C(=O)NCc1cccc(CO)c1)N1CCCCC1 89791094 RFWOYHTZCIXCPI-KRWDZBQOSA-N 304.434 2.306 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 36383665 JNMHSNVRRCTITL-AVGNSLFASA-N 304.390 2.325 0 40 DEAB O=C(Cc1nnc(O)c2ccccc12)N1Cc2ccccc2C1 518493744 QCZVBJGHTGQRSY-UHFFFAOYSA-N 305.337 2.420 0 40 DEAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2 77845273 KBGRIMOOFIMXBX-XIKOKIGWSA-N 318.417 2.027 0 40 DEAB CC(C)(C)OC(=O)[C@@H](CC(=O)OCc1ccccc1)C(=O)O 75629581 SWZFROXBNWVYOR-LBPRGKRZSA-N 308.330 2.162 0 40 DEAB CC(C)CNS(=O)(=O)c1ccc(NC(C)C)c(C(=O)O)c1 217552564 BHYNCCNUFIAFMZ-UHFFFAOYSA-N 314.407 2.139 0 40 DEAB CNc1cc([C@H]2CCN2C(=O)COc2ccccc2)nc(C)n1 72387626 VPLGHWLSCQNOTI-OAHLLOKOSA-N 312.373 2.179 0 40 DEAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](C1CCCC1)C(F)(F)F 128043237 VLJIKDZOXOLJSN-WCQGTBRESA-N 306.328 2.344 0 40 DEAB CCN1CCN(c2nc(C(C)C)nc3c(C)nn(CC)c23)CC1 72238346 YUJDWFPDKSYPST-UHFFFAOYSA-N 316.453 2.420 0 40 DEAB O=C(NCCc1cncnc1)c1cccc(Br)c1 225589117 IUHSBNJYMFSZCJ-UHFFFAOYSA-N 306.163 2.212 0 40 DEAB CC[C@@H](CNC(=O)NC[C@@H](C)O)Oc1ccccc1Cl 192517475 VYXWNUABUSPKOF-MNOVXSKESA-N 300.786 2.177 0 40 DEAB COc1cc(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)ccn1 329331210 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CCC[C@H]1NC(=O)N([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1=O 8130784 LTZNWWADXRBLEN-BXKDBHETSA-N 323.780 2.388 0 40 DEAB Cc1nn2c(O)cc([C@H]3CC(=O)N(C)C3)nc2c1-c1ccccc1 100775854 CZIFDQGIVSXAII-ZDUSSCGKSA-N 322.368 2.356 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)Nc1ccn(C)n1 29956283 OILFQQNOSGQTFX-UHFFFAOYSA-N 315.402 2.272 0 40 DEAB COC(=O)c1cc(OC)c(OC)cc1NCc1cc(C)on1 22250705 OSFIVZNWUYOVBS-UHFFFAOYSA-N 306.318 2.399 0 40 DEAB Cc1c(CNC(=O)c2cc(Br)cs2)cnn1C 2730758 QBFLRZPVARYYKT-UHFFFAOYSA-N 314.208 2.483 0 40 DEAB COC(=O)[C@@]12C=C[C@H](CC1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 103551502 DBGSMLLLQUEXBF-OPWYMKIUSA-N 317.385 2.060 0 40 DEAB Cc1cnc(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)cn1 22619875 CDGFVGZMIKBWBJ-OAHLLOKOSA-N 318.808 2.471 0 40 DEAB C/C(O)=C(/C(=O)Nc1ccc(C(F)(F)F)cc1)C1=NCCN1 103593897 KSEQNIJISZMASO-FLIBITNWSA-N 313.279 2.478 0 40 DEAB O=C(N1CCN(c2ncccn2)CC1)C1(c2ccccc2)CCC1 24607597 NONLJNRWEHXERO-UHFFFAOYSA-N 322.412 2.247 0 40 DEAB CCCCCCN/C(C)=C1\C(=O)NC(=O)N(CCCC)C1=O 20265685 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GLMOAHFBQCRUIB-GJZGRUSLSA-N 301.342 2.025 0 40 DEAB CC1CCN(CCN2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)CC1 79094832 PHCVKXQNFPRCOR-CEXWTWQISA-N 323.525 2.292 0 40 DEAB COc1ccc(CCCNC(=O)c2ccc(C)[nH]c2=O)cc1 75121280 ALWGMNULOXDZKG-UHFFFAOYSA-N 300.358 2.055 0 40 DEAB O=C(Cc1ccccc1Cl)Nc1c[nH]nc1[C@@H]1CCNC1 1549747002 QTGWWZLBYLTGNH-LLVKDONJSA-N 304.781 2.321 0 40 DEAB CCCC(=O)N[C@@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306126493 DXOGGVYFHORUGM-LLVKDONJSA-N 321.446 2.057 0 40 DEAB O=C(NCc1nc[nH]n1)c1ccc(Br)cc1Cl 37921221 OOHCEMZMNGWHTA-UHFFFAOYSA-N 315.558 2.151 0 40 DEAB C[C@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@H](O)C1 72885095 KJLWTOGXPYDZDQ-HOCLYGCPSA-N 302.418 2.201 0 40 DEAB CCOc1ccccc1C(=O)NCc1n[nH]c(=S)n1CC 78455318 UXOKNEJLDVEVNK-UHFFFAOYSA-N 306.391 2.289 0 40 DEAB COc1cccc([C@@H]2CC(=O)Nc3c(C(=O)O)nsc32)c1 36559075 YTEFORMPUUJARG-VIFPVBQESA-N 304.327 2.324 0 40 DEAB Cc1ccn(CCC(=O)N2CCCC[C@@H]2c2n[nH]cc2C)n1 72385642 VFLXTCDBVXGRJH-CQSZACIVSA-N 301.394 2.367 0 40 DEAB C[C@@H]1CN(CC2CCOCC2)C[C@@H](C)N1CC1CCOCC1 187112012 DNJWMKHDFFASAJ-HZPDHXFCSA-N 310.482 2.234 0 40 DEAB Cc1cc(C(=O)NC[C@@H](C)Cn2cccn2)c2c(C)noc2n1 36614089 LBURJZZAAGNKJG-SNVBAGLBSA-N 313.361 2.102 0 40 DEAB C[C@@]1(c2ccccc2)CN([C@@H](C(=O)O)c2cccnc2)CCO1 565106452 XCOMDMILRKZEKA-AEFFLSMTSA-N 312.369 2.455 0 40 DEAB C[C@H]1CN(CC(=O)NC2CCOCC2)c2cc(Cl)ccc2O1 76005664 WSZLHDAXETXMRE-NSHDSACASA-N 324.808 2.223 0 40 DEAB Cc1ccc(Cl)c(NC(=O)CSc2nnc(N)n2C)c1 32604822 OMADKHSNQWEMON-UHFFFAOYSA-N 311.798 2.090 0 40 DEAB Cc1ccc([C@@H](C)NCc2csc(CS(C)(=O)=O)n2)o1 182578589 WTWHSEIPDSOLMU-SNVBAGLBSA-N 314.432 2.440 0 40 DEAB O=C(NCC[C@H](O)c1ccccc1)c1ccc2c(c1)OCCO2 72243128 FHNMCHYBQRLJDY-HNNXBMFYSA-N 313.353 2.311 0 40 DEAB COC(=O)CCN(CC(C)C)C(=O)c1nc(C)n2ccccc12 78086967 TVRCNFMVJMKLJO-UHFFFAOYSA-N 317.389 2.304 0 40 DEAB Cn1cccc1[C@H](O)CNC(=O)c1ccccc1Br 75155070 XNBHOCIFLWAEML-CYBMUJFWSA-N 323.190 2.251 0 40 DEAB CCc1ccc2c(c1)C(=O)CC1(CCN(S(C)(=O)=O)CC1)O2 225817968 GURRRTUAKICUAR-UHFFFAOYSA-N 323.414 2.008 0 40 DEAB Cc1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccco2)c1C 77112135 DIPWMCYQTSUZGZ-AWEZNQCLSA-N 316.357 2.075 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-n2ccnc2)cc1 81700863 IXARMLPVCMEJOG-MSOLQXFVSA-N 319.364 2.260 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)CN(C)[C@H](CCO)c1ccccc1 96441575 RGBRFJWUGQDXIO-OAHLLOKOSA-N 316.405 2.021 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NC[C@@H]1CCO[C@@H]1C(C)C 96454490 KXKUTIPLKIZIOD-WMLDXEAASA-N 307.438 2.147 0 40 DEAB CCOCCCNc1cc(C(=O)N2CCCCC2)nc(C)n1 96182794 CLDHQRHXOXYUFZ-UHFFFAOYSA-N 306.410 2.250 0 40 DEAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1cnccn1 96407363 MLDXYBNOFMLCSH-CYBMUJFWSA-N 300.337 2.015 0 40 DEAB O=C(NCC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 96057594 GVZNBSIGCHOSHK-NUEKZKHPSA-N 320.458 2.254 0 40 DEAB Cn1cccc1CN1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 96159407 QOPIJJYZFGSIOC-LJQANCHMSA-N 324.428 2.045 0 40 DEAB CN(C)CCC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 96487331 UURFPTDAIPSURG-NSHDSACASA-N 313.804 2.126 0 40 DEAB CCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(OC)c1 257322409 WFVXMVVMZHGLTD-ZBFHGGJFSA-N 304.390 2.131 0 40 DEAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 257227069 FNMPGCXLEYRYBH-ZDUSSCGKSA-N 302.378 2.353 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccco2)C[C@@H](C)O1 41864695 JGKQAZINPBVCJP-GODNBWANSA-N 306.406 2.297 0 40 DEAB O=C(CN1CCc2sccc2C1)N1CCO[C@@H]2CCCC[C@@H]21 52432751 ZCXPFHRXHQSPAR-LSDHHAIUSA-N 320.458 2.276 0 40 DEAB Cc1nnc(NC(=O)NCCc2ccc(N(C)C)cc2)s1 69419583 XKCJGJFRIUURLN-UHFFFAOYSA-N 305.407 2.277 0 40 DEAB COc1ccccc1C(=O)N1CCC[C@@H](CNC(=O)C(C)C)C1 69528065 VLANWIDZWXCXNO-AWEZNQCLSA-N 318.417 2.320 0 40 DEAB COc1ccc2cc(C(=O)NCc3cc[nH]c(=O)c3)c(C)nc2c1 69513239 ZUHRNFBBBQXYCF-UHFFFAOYSA-N 323.352 2.170 0 40 DEAB CC(C)CCNC(=O)CCn1cc(Br)ccc1=O 69586356 WTCAXDDOMSNMNX-UHFFFAOYSA-N 315.211 2.163 0 40 DEAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)[C@H]2C[C@H]2C)n1 12747330 OIVXCRAERZYFNE-RNCFNFMXSA-N 314.389 2.372 0 40 DEAB CN1CCc2nc(NC(=O)COc3ccccc3)sc2C1 15880130 CZQNSXZGWBTXRL-UHFFFAOYSA-N 303.387 2.149 0 40 DEAB CC1(C(=O)N[C@H]2CCC[C@@H]2O)CCN(Cc2ccccc2)CC1 165122614 CQFZKQZXUCUBIP-IRXDYDNUSA-N 316.445 2.318 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCN(Cc2cscn2)C1 643913811 IGPDOLKNXPKCAZ-INIZCTEOSA-N 304.415 2.467 0 40 DEAB Cc1cccc(N2CCN(Cc3nnc4n3CCC4)CC2)c1C 1889096250 NPGMGJKCSXVDJO-UHFFFAOYSA-N 311.433 2.163 0 40 DEAB Cc1nccc(-c2cccc(NC(=O)c3nccnc3N)c2)n1 31800960 YBSLATCIBIMDTD-UHFFFAOYSA-N 306.329 2.077 0 40 DEAB O=c1c(=O)n(CC2CCCC2)ccn1Cc1ccc(F)cc1 2086939595 HDATXVJJKBJRKU-UHFFFAOYSA-N 302.349 2.388 0 40 DEAB CN1C(=O)[C@@H](C(=O)O)[C@@H]2c3ccccc3O[C@]13CCCC[C@H]23 4512965 JUWAKUBFCACRJR-CVGURMSBSA-N 301.342 2.222 0 40 DEAB CS(=O)(=O)NCCc1csc(-c2cccc(F)c2)n1 5137680 IIAIMQJMNADNGP-UHFFFAOYSA-N 300.380 2.041 0 40 DEAB CC1(C)CC(=O)C2(CC(=O)N3CCc4ccccc4[C@H]32)C(=O)C1 5414986 XWJSSKCWMVQYQS-KRWDZBQOSA-N 311.381 2.461 0 40 DEAB biogenic COc1ncccc1C(=O)Nc1nnc(-c2ccsc2)o1 49448777 AWKUWEVNNDODID-UHFFFAOYSA-N 302.315 2.454 0 40 DEAB COC(=O)[C@@H](C)Sc1ccc2nnc(-c3ccccc3)n2n1 4164245 QNMJCKHWZZLQRN-SNVBAGLBSA-N 314.370 2.445 0 40 DEAB Brc1cccc(-c2nnc(CN3CCOCC3)o2)c1 20177814 ZDODQIINVCDFCU-UHFFFAOYSA-N 324.178 2.331 0 40 DEAB C[C@@H](NC(=O)c1ccccc1OCC(N)=O)c1cccs1 40473971 HSEWBYWIMOOIOW-SNVBAGLBSA-N 304.371 2.103 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 31393864 QSBMPGASBZJLGL-ABAIWWIYSA-N 302.374 2.391 0 40 DEAB O=C(NCCn1ccnc1)Nc1ccc(Br)cc1 40525293 SIZBYFUEOYPCJU-UHFFFAOYSA-N 309.167 2.467 0 40 DEAB COc1ccc(CNC(=O)c2cn(-c3ccccc3)nn2)cc1 31874012 JMBXFRRZFCFWQR-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB Cc1ccnn1Cc1nn2c(-c3cccs3)nnc2s1 20606986 LTVSFFGCWHFJRE-UHFFFAOYSA-N 302.388 2.468 0 40 DEAB CC(C)[C@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(F)cc1 32744974 BTZLFXHNGQCNAJ-HNNXBMFYSA-N 303.337 2.047 0 40 DEAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)Cc1ccccc1 6687703 PWNXLGHGCMWYKZ-AWEZNQCLSA-N 303.358 2.202 0 40 DEAB CCCNC(=O)COC(=O)c1cc(C)n(Cc2ccco2)c1C 7625912 GKMVWERDZDGTKV-UHFFFAOYSA-N 318.373 2.429 0 40 DEAB COC(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2C)s1 32913579 PBEURINSZQHPER-UHFFFAOYSA-N 318.354 2.194 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)o1 33118528 PJRFSVWOFBNNPC-JTQLQIEISA-N 300.314 2.410 0 40 DEAB C[C@@H](NC(=O)c1ccccc1-n1cnnn1)[C@@H]1C[C@H]2CC[C@H]1C2 104103945 KHOWAXQNJUYCMM-OSFYFWSMSA-N 311.389 2.217 0 40 DEAB CCCc1noc(CCC(=O)NCCc2csc(C)n2)n1 23098341 XKAYAUXHXPJNEO-UHFFFAOYSA-N 308.407 2.079 0 40 DEAB Cc1cc(C(=O)NCCc2ccccc2Br)n(C)n1 61262742 JYUHYJPZDGTDLB-UHFFFAOYSA-N 322.206 2.464 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 23386137 BLMSOZVXAFQARD-NSHDSACASA-N 324.336 2.318 0 40 DEAB CCc1nnsc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 47244276 VHATZFDEMGSJPL-UHFFFAOYSA-N 318.337 2.073 0 40 DEAB C[C@@H](NC(=O)c1nccnc1N)c1ccccc1OC(F)F 25299679 ZNKCIEYEKJYCPP-MRVPVSSYSA-N 308.288 2.151 0 40 DEAB COCCNC(=O)NCCCC(=O)Nc1ccc(Cl)cc1 56979010 NCTIXISKEFLWAM-UHFFFAOYSA-N 313.785 2.004 0 40 DEAB NC(=O)[C@@H](NCCc1ccc(-n2cccn2)cc1)c1ccccc1 26226079 OJHHITAYJCLFQT-SFHVURJKSA-N 320.396 2.231 0 40 DEAB O=C1CC[C@@H](C(=O)N2C[C@H]3CC[C@H]2C3)CN1Cc1ccccc1 108097431 KRABFXIONBWLJB-BBWFWOEESA-N 312.413 2.436 0 40 DEAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ccnc3ccccc13)CCO2 107720225 JNUWMEBSYPNRMA-BRWVUGGUSA-N 312.369 2.253 0 40 DEAB Cn1ccnc1[C@H](NC(=O)c1ccccn1)c1ccc(F)cc1 12525072 GRNOWWMRMJHZTE-OAHLLOKOSA-N 310.332 2.474 0 40 DEAB CCN(CCCNC(=O)CN1CCSC1=O)c1ccccc1 12528646 ZFVGQYAZEKRVSD-UHFFFAOYSA-N 321.446 2.188 0 40 DEAB CCOc1ccccc1N1CCN(Cc2nc(C)no2)CC1 44897019 XEENGZWBAWNXOS-UHFFFAOYSA-N 302.378 2.099 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)NC(=O)CS2 58355391 CJIGRRNVGFNQLT-GFCCVEGCSA-N 320.414 2.372 0 40 DEAB CN(C(=O)c1ccc(Br)s1)C1CCNCC1 36282800 KQNBVFDCXGOXMD-UHFFFAOYSA-N 303.225 2.335 0 40 DEAB O=C(Cc1ccccc1)N[C@H](c1ccccc1)[P@@](=O)(O)CO 2310350 ZIAUXIMIUNGMMU-INIZCTEOSA-N 319.297 2.264 0 40 DEAB O=C(CCc1ccccc1)NCCc1nnc2n1CCCCC2 48303661 DPVBSAIOWJAKQM-UHFFFAOYSA-N 312.417 2.296 0 40 DEAB CC[C@H](C)NC(=O)COC(=O)COc1ccc(Cl)c(C)c1 3487445 UOSWOAPLHQXOMC-NSHDSACASA-N 313.781 2.485 0 40 DEAB Cc1noc([C@@H](C)N2CCC[C@H](C(=O)N3CCC(C)CC3)C2)n1 69562278 GNBIEGZOLGINSN-HIFRSBDPSA-N 320.437 2.410 0 40 DEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCC1 12944782 VJCGWZMQTZZIKY-UHFFFAOYSA-N 308.403 2.210 0 40 DEAB Cc1c(C(=O)OCc2nc(-c3ccc(F)cc3)no2)cnn1C 13297624 CVJFIGJKWFFDIV-UHFFFAOYSA-N 316.292 2.275 0 40 DEAB CC[C@H]1CCCCN1C(=O)COc1ccc(CC(=O)O)cc1 13420656 HZDOFSHCEMXZLZ-AWEZNQCLSA-N 305.374 2.484 0 40 DEAB C[C@H](CCC(=O)O)NC(=O)c1sccc1Br 69837576 RDEDHGFYEMAVLP-ZCFIWIBFSA-N 306.181 2.494 0 40 DEAB C[C@@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1 4105495 KGGWVTBTVJIWDQ-SNVBAGLBSA-N 320.345 2.362 0 40 DEAB C[C@H](CCc1ccc(F)c(F)c1)NC(=O)c1ccc(O)nn1 69896134 XEIWJMXJCHPTGK-SECBINFHSA-N 307.300 2.212 0 40 DEAB COc1ccc(/C=C(\C(=O)N2CCCC2)n2ccccc2=O)cc1 13899109 XWLQRMDBBPTEFM-SAPNQHFASA-N 324.380 2.477 0 40 DEAB O=C(NCc1ccc(-n2ccnc2)cc1)[C@H]1Cc2ccccc2O1 65550730 OFIHJAJKDZVBJM-GOSISDBHSA-N 319.364 2.492 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cc1cccc2ccccc12 65514638 SXFYZRMAXSGEEP-CZUORRHYSA-N 310.397 2.495 0 40 DEAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCCN(C)C(C)C)c1 65612287 CCJJMFIRDQBXDN-ZDUSSCGKSA-N 320.437 2.345 0 40 DEAB CCOC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 4673430 FIPFEOQLTKCEPN-CQSZACIVSA-N 313.419 2.251 0 40 DEAB CC[C@@H](O)CNc1nc2sc3c(c2c2ncnn12)CCC3 5577195 SHDLTZVVCFLPGH-MRVPVSSYSA-N 303.391 2.011 0 40 DEAB CN1C(=O)C[C@H](NC(=O)c2ccc[nH]2)[C@H]1c1ccc(Cl)cc1 92503554 CBLNUXCMZWRYMT-DZGCQCFKSA-N 317.776 2.370 0 40 DEAB CN1C(=O)C[C@H](NC(=O)c2ccc[nH]2)[C@@H]1c1ccc(Cl)cc1 92503556 CBLNUXCMZWRYMT-ZFWWWQNUSA-N 317.776 2.370 0 40 DEAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)NC[C@H]1CCCO1 408530225 JDGNVBHVSRMTDG-ROJDOSBLSA-N 309.369 2.452 0 40 DEAB Cc1cccc(C)c1NC(=O)CSc1nc2ncccn2n1 8980825 UETFWOCVXVKELK-UHFFFAOYSA-N 313.386 2.472 0 40 DEAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccncc3)cc2)CC1 68232049 FECQURSNCUOZRS-FARCUNLSSA-N 322.412 2.485 0 40 DEAB COc1cccc2cc(CNC(=O)N3CCC[C@@H](O)C3)oc12 71795688 XXLWZWOJEJTQGA-GFCCVEGCSA-N 304.346 2.108 0 40 DEAB CC(C)c1nnnn1CC(=O)N1CCC[C@H]1c1cccs1 71839281 WDGJWZUNSJBHGG-NSHDSACASA-N 305.407 2.222 0 40 DEAB O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCCn2ncnc21 71839381 TZXJKQYHSVQADR-CABCVRRESA-N 312.373 2.183 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3c[nH]cc3C)CC2)cs1 71810488 ISECVSFUIQIULX-UHFFFAOYSA-N 304.419 2.046 0 40 DEAB CN(CC(=O)O)C(=O)CCc1ncc(-c2ccc(F)cc2F)o1 83858939 YWSAZLVVEHDPLN-UHFFFAOYSA-N 324.283 2.095 0 40 DEAB CCSc1ncc(S(=O)(=O)c2cccs2)c(N)n1 67225241 JKINMRPJCULHOK-UHFFFAOYSA-N 301.418 2.065 0 40 DEAB NC1(C(=O)N2CCC[C@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 67643723 QQSGWHHXXMOPDA-HNNXBMFYSA-N 324.428 2.198 0 40 DEAB CC[C@H](C)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)on1 72295670 WZGKNZVVYKEDCI-RYUDHWBXSA-N 303.366 2.257 0 40 DEAB NC(=O)c1ccn(-c2ccccc2NC(=O)[C@@H]2CC=CCC2)n1 72283521 ILEGXAURLFFACJ-GFCCVEGCSA-N 310.357 2.266 0 40 DEAB CC(=O)N1CCN(C(=O)N[C@H]2CCSc3ccccc32)CC1 89954492 QFIQKALEFLCHDJ-AWEZNQCLSA-N 319.430 2.097 0 40 DEAB CCc1cnccc1C(=O)N1C[C@@H](C)NC(=O)c2ccccc21 97110871 ZGQJDRJJOVXIMB-GFCCVEGCSA-N 309.369 2.423 0 40 DEAB CC(C)(C)c1n[nH]cc1CN1CCN(Cc2cccnc2)CC1 97113600 QMDUPUXSGVYBNX-UHFFFAOYSA-N 313.449 2.420 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NC[C@@H](O)c1ccsc1 97114628 YCJVMEFZDVBWDL-GFCCVEGCSA-N 315.391 2.208 0 40 DEAB FC(F)(F)CCN(c1ccc2nnnn2n1)C1CCCC1 97227497 IJPFABFTIGHTAW-UHFFFAOYSA-N 300.288 2.221 0 40 DEAB C[C@H](CNC(=O)NCc1nccn1C)Oc1ccccc1Cl 76088172 NLGWLMWJRYTSKC-LLVKDONJSA-N 322.796 2.340 0 40 DEAB CCN1CCC(CCNC(=O)[C@@H]2C[C@@H]2c2cccnc2)CC1 76041653 ABNXGBJVRDUKIX-IAGOWNOFSA-N 301.434 2.423 0 40 DEAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)Nc1nccs1 84618240 TZWYKEMEQKTVHP-JTQLQIEISA-N 319.390 2.179 0 40 DEAB COC(=O)c1cccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)n1 84692058 PTZAZYIUTYBOFL-WFASDCNBSA-N 320.389 2.193 0 40 DEAB CCOc1ccccc1N(C)C(=O)COc1c(C)nn(C)c1C 95438322 NQXSMKZESYIZJX-UHFFFAOYSA-N 317.389 2.477 0 40 DEAB CN(CCc1ccccc1)C(=O)c1sccc1S(C)(=O)=O 78615854 YJKKFMZWGVTHBY-UHFFFAOYSA-N 323.439 2.466 0 40 DEAB Cn1cc(C(=O)C[C@@H]2CCCN2c2nc(C3CC3)ns2)cn1 95994786 OCZKUGSBLIVKNC-LBPRGKRZSA-N 317.418 2.391 0 40 DEAB COc1ccc(F)cc1[C@H](C)NCC(=O)N1C[C@H](C)O[C@@H](C)C1 95984486 VKWZXLRBBOVCMH-AVGNSLFASA-N 324.396 2.121 0 40 DEAB CN(CCc1ccncc1)C(=O)C[C@H]1C(=O)Nc2ccccc21 74715195 YQIRATPXGSTRHN-OAHLLOKOSA-N 309.369 2.209 0 40 DEAB CC(C)(C)Oc1ccc(C(=O)N2CCNC(=O)C2(C)C)cc1 79542911 NNAFTEDDDHVPMB-UHFFFAOYSA-N 304.390 2.215 0 40 DEAB COC(=O)c1ccc(NCC(=O)NCc2ccco2)cc1Cl 75141047 DPXPKLMTZVNFGO-UHFFFAOYSA-N 322.748 2.448 0 40 DEAB CC(C)(CCO)CNc1ccc(S(=O)(=O)C(C)(C)C)nc1 89694378 GPEKCCZORUBEGJ-UHFFFAOYSA-N 314.451 2.474 0 40 DEAB NC(=O)CC[C@H]1CCCN(c2cncc(Br)c2)C1 89764610 POJIKGRZWMQYQH-SNVBAGLBSA-N 312.211 2.326 0 40 DEAB Cc1cc(O)cc(=O)n1CCCc1nc(-c2ccco2)no1 1547201127 WXNLZWLCTALEDN-UHFFFAOYSA-N 301.302 2.138 0 40 DEAB CCOc1ccc(I)cc1C(=O)OC 39952457 UKBUOIMKGQZVPU-UHFFFAOYSA-N 306.099 2.477 0 40 DEAB COC(=O)c1cnc(NC(=O)CSC(F)(F)F)s1 33162440 OEZSJITUEWLWFL-UHFFFAOYSA-N 300.283 2.121 0 40 DEAB 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317.389 2.377 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)NCc2ccc(C(N)=O)cc2)cc1 36727755 SQMUZGZKSIPVRJ-ZDUSSCGKSA-N 312.369 2.178 0 40 DEAB Cc1cc(C)n(-c2ccc(COC(=O)c3nccnc3N)cc2)n1 48234445 GUTGYNVGRINSGX-UHFFFAOYSA-N 323.356 2.218 0 40 DEAB OCCN(Cc1ccccc1)C[C@H](O)c1cc(F)ccc1F 62360696 JAJGVTQDKVCQLH-KRWDZBQOSA-N 307.340 2.493 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2cccs2)C1 48368871 AQFBZPPUNHZXDO-NEPJUHHUSA-N 307.419 2.202 0 40 DEAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)CCc1cnn(C)c1 69432298 WVKFLDUGYSFFEW-AWEZNQCLSA-N 314.433 2.166 0 40 DEAB C[C@](O)(CN1CCC(O)CC1)c1cccc(C(F)(F)F)c1 69508733 LAGFCZIIFSAOBX-AWEZNQCLSA-N 303.324 2.370 0 40 DEAB O=C(COC(=O)c1ccc(O)cc1O)c1ccc(F)c(F)c1 6080896 KEIJIMKIXHISLQ-UHFFFAOYSA-N 308.236 2.416 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O 4302047 HPLZQRRCRSWEHF-ZANVPECISA-N 308.334 2.079 0 40 DEAB Cc1nc(COc2ccc(CNC3CCC(O)CC3)cc2)no1 65529191 LWXHFVWDRYJVCG-UHFFFAOYSA-N 317.389 2.350 0 40 DEAB CC(C)(CNC(=O)c1cccc2cccnc12)N1CCOCC1 14170762 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COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)c1 565186 CZPQGZQBYKDROA-GOSISDBHSA-N 311.337 2.416 0 40 DEAB Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)[nH]n1 47555317 SUHTWVDDPCNEOT-UHFFFAOYSA-N 300.240 2.307 0 40 DEAB COc1ccccc1N1C(=O)C[C@H](N(O)c2ccccc2)C1=O 101027171 MRQTVZBGUZCLOQ-AWEZNQCLSA-N 312.325 2.223 0 40 DEAB CN(C)C/C=C/C(=O)N(C)Cc1nccn1Cc1ccccc1 81089888 GFVGUAUFPBBREY-JXMROGBWSA-N 312.417 2.008 0 40 DEAB CCOC(=O)C1CCN(CC(=O)Nc2cccc(CC)c2)CC1 7812336 FUMHNRNKVVAOHK-UHFFFAOYSA-N 318.417 2.463 0 40 DEAB Fc1ccccc1OCCN1CCCN(c2cccnn2)CC1 105798337 GNGRFACUIVLAOK-UHFFFAOYSA-N 316.380 2.207 0 40 DEAB Cc1occc1CN(C)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 56252288 ONKRGDCSBGRTLQ-SWLSCSKDSA-N 308.403 2.000 0 40 DEAB O=C(Nc1ccccc1OC[C@H]1CCCCO1)N1CCOCC1 56517087 BXCSBBHAPMJEJG-CQSZACIVSA-N 320.389 2.499 0 40 DEAB CCOC(=O)c1cnc(N(C)[C@@H]2CCN(CC)C[C@@H]2C)nc1C 108380709 SWUSPDHTYUCBGW-SWLSCSKDSA-N 320.437 2.128 0 40 DEAB Cc1cccc(CNC(=O)Cn2c(=O)cnc3ccccc32)c1 26885979 RBRPUHGCLMYUDT-UHFFFAOYSA-N 307.353 2.021 0 40 DEAB COCc1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 44548941 KLJPJGMDRIIEOQ-XJKSGUPXSA-N 320.414 2.226 0 40 DEAB COc1ccc(C(=O)Nc2nnc(SCC(C)=O)s2)cc1 27740084 DCOOAQWZLZTDIE-UHFFFAOYSA-N 323.399 2.480 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 62119321 BRQVKLLLFXBKLB-QMMMGPOBSA-N 305.227 2.391 0 40 DEAB Cc1cc(=O)c(C(=O)NC2CCCC2)nn1-c1ccccc1F 7951183 JMJVHWBEIUNYGU-UHFFFAOYSA-N 315.348 2.352 0 40 DEAB CC(=O)NCC1CCN(C(=O)CNc2ccccc2Cl)CC1 58331822 HIHGKNWKTGJQEH-UHFFFAOYSA-N 323.824 2.127 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2c(C)nn(C)c2C)N(C)C)cc1 58305455 NKBYKUYLJKENMA-MRXNPFEDSA-N 314.433 2.378 0 40 DEAB COc1cc(NC(=O)Cn2ccccc2=O)c(OC)cc1Cl 11227935 SABWGQCNKSODOM-UHFFFAOYSA-N 322.748 2.158 0 40 DEAB O=C(Nc1nc2ccccc2s1)N[C@@H]1CCCCNC1=O 45668779 GYQGRDWWGQHNFP-SNVBAGLBSA-N 304.375 2.087 0 40 DEAB Cn1cnnc1CN[C@H]1CCOc2ccc(Br)cc21 38007936 VNZLODAUEUETHN-NSHDSACASA-N 323.194 2.191 0 40 DEAB C[C@H]1CCCCN1C(=O)CN1C(=O)NC2(CCCCCC2)C1=O 3592771 VPNJQXXYYDBYDP-ZDUSSCGKSA-N 321.421 2.032 0 40 DEAB O=C(NCc1ccccc1F)N1CCCC[C@@H]1C1OCCO1 69240049 QNKKFOSZXIFRMU-CQSZACIVSA-N 308.353 2.263 0 40 DEAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1cc[nH]n1 49683574 AALYQDFMJWKRAE-OAHLLOKOSA-N 321.384 2.462 0 40 DEAB O=S(=O)(NCCn1cnc2ccccc21)c1ccc(F)cc1 64888220 VQOCYVATJYXSTA-UHFFFAOYSA-N 319.361 2.154 0 40 DEAB Cc1ccc(NC(=O)COCC(=O)NCc2ccccc2)cc1 13844817 DTWZKCSLQTYXDD-UHFFFAOYSA-N 312.369 2.267 0 40 DEAB Cc1noc(C)c1[C@H]1CCCN1C(=O)c1cnn2ccn(C)c12 65397665 POMGMSRLOVJBAM-CYBMUJFWSA-N 313.361 2.255 0 40 DEAB CCn1cc(CN2CCCN(C(=O)c3ccsc3)CC2)cn1 69490052 CJXPWZUBGQZRCS-UHFFFAOYSA-N 318.446 2.313 0 40 DEAB CN(CC1=NS(=O)(=O)c2ccccc2N1)c1ccccc1 65487559 BKSVTHXQSPKZGK-UHFFFAOYSA-N 301.371 2.336 0 40 DEAB COc1ccccc1[C@@H](O)CNCc1cnn(C(C)(C)C)c1 65487477 RULMLFNLGXBZPQ-HNNXBMFYSA-N 303.406 2.470 0 40 DEAB COC(=O)COC(=O)c1ccccc1NC(=O)c1ccsc1 14020217 DNUXYDYSTLLNOU-UHFFFAOYSA-N 319.338 2.330 0 40 DEAB CCC[C@H]1NC(=O)N(CC(=O)Nc2ccccc2SC)C1=O 14183249 JSHQKDBHTGCPRV-LLVKDONJSA-N 321.402 2.068 0 40 DEAB CC(C)n1nnnc1S[C@H](C)C(=O)NCc1ccccc1 14252078 DCYFLACZSVAPSU-LLVKDONJSA-N 305.407 2.051 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)O)cc2)cc1 8429576 NSDKLQUGRJTFKH-UHFFFAOYSA-N 319.338 2.041 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306131120 JXDWNDMOTDNFPC-RBSFLKMASA-N 316.401 2.124 0 40 DEAB CN(Cc1ccsc1)C(=O)Cn1c(=O)oc2ccccc21 7291196 OQYGNPODLJEHPA-UHFFFAOYSA-N 302.355 2.315 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)N(C)CCN(C)C1CCN(C)CC1 69655796 ZFQGGUGRMMMYTQ-DOTOQJQBSA-N 324.513 2.233 0 40 DEAB CCCN(C(=O)c1ccc(=O)n(C)c1)[C@H]1C[C@@H](OCC)C1(C)C 78869546 UIRALHHUYWTMOY-LSDHHAIUSA-N 320.433 2.441 0 40 DEAB CC(C)N1CC[C@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 70876829 NVORABJVOFPQAQ-AWEZNQCLSA-N 304.390 2.060 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(F)c(F)c1 9244971 SVQHIWJOIQAHOS-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB CCOC(=O)CN(C[C@@H]1CCCO1)C(=O)/C=C/c1cccs1 72297037 SCLWCRPUXDBDLI-GWJCSSMESA-N 323.414 2.332 0 40 DEAB O=C(COCC(=O)Nc1ccccc1)NCc1ccc(F)cc1 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COc1ccccc1N1CN(Cc2cccnc2)CNC1=S 20171568 BLBYVONUJIQZHB-UHFFFAOYSA-N 314.414 2.202 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 32639791 FUSBUXWXJJABIO-JSGCOSHPSA-N 324.471 2.398 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1C 409385097 HMBZFQKESAYKJB-VWPFQQQWSA-N 301.342 2.286 0 40 DEAB CC(C)N(CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 79391701 OYGRQARHVPQSKP-KRWDZBQOSA-N 320.433 2.490 0 40 DEAB C[C@@H]1CN(C)C[C@H](c2nc(Cc3ccncc3Cl)no2)O1 527545814 NBUZXGHIQKMZGL-BXKDBHETSA-N 308.769 2.100 0 40 DEAB O[C@H](COc1ccccc1)CSc1nnc2ccccn12 32750975 MHOGNFSHNUFMQM-GFCCVEGCSA-N 301.371 2.261 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CC[C@H](Oc2ccncc2)C1 120923037 CERIYMZTOSZNBZ-HNNXBMFYSA-N 314.389 2.034 0 40 DEAB COc1ccc(-c2ccc3nnc([C@@H]4CCCNC4)n3n2)cc1 217561531 KKBWMFUJLPHHIA-CYBMUJFWSA-N 309.373 2.267 0 40 DEAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2C(F)(F)F 71283254 DAIIMTVSFSNYQA-SSDOTTSWSA-N 305.256 2.392 0 40 DEAB COc1ccc(CCCCNC(=O)N2CCOC[C@H]2C)cc1 84893801 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CC[C@H](O)CN(Cc1ccccc1)C(=O)[C@]1(C)CCCNC1 195554563 SMOXBLZBRCNAPH-FUHWJXTLSA-N 304.434 2.176 0 40 DEAB CC(C)NC(=O)CNC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C 95427073 AAJSQOYVEBBZJI-HZPDHXFCSA-N 317.477 2.257 0 40 DEAB O=C(NC[C@@]1(O)CCSC1)c1ccc(Br)s1 96446892 OOUAHRRBRTVDJI-JTQLQIEISA-N 322.249 2.108 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@H]2C[C@@H]2C)cc1 5693462 PSLJIMUYKCWVCQ-BHDSKKPTSA-N 304.346 2.171 0 40 DEAB CCn1c2cc(C)oc2c2cnn(CC(=O)OC(C)C)c(=O)c21 12183658 GXNUPKBOCUKYFV-UHFFFAOYSA-N 317.345 2.224 0 40 DEAB C[C@H]1CN(C(=O)COC(=O)c2cc3ccccc3o2)C[C@@H](C)O1 15033215 BFBXZHPVSUVFEI-TXEJJXNPSA-N 317.341 2.225 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cnc(C)nc1 19130502 UXQAUVJYMNPAEJ-GOEBONIOSA-N 320.400 2.398 0 40 DEAB Cc1ccc([C@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)cc1 19819864 OEGULKJRYRCEBF-LLVKDONJSA-N 320.352 2.121 0 40 DEAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 19933664 GAJWEJCDIILLKO-NSHDSACASA-N 314.341 2.200 0 40 DEAB Cc1ncsc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 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40 DEAB CCOC(=O)C1=NN(c2ccccc2)C[C@H]1C(=O)OCC(C)C 59416379 OWARYCBVYLKSRY-CQSZACIVSA-N 318.373 2.241 0 40 DEAB O=C(CSc1ccccc1)NN1C(=O)c2ccccc2C1=O 3141631 JYWOJZSBCMJMLR-UHFFFAOYSA-N 312.350 2.106 0 40 DEAB O=C([C@@H]1COc2ccccc2C1)N(CCO)Cc1ccccc1 75554250 BZGPCMPLCNZGTD-KRWDZBQOSA-N 311.381 2.259 0 40 DEAB C[C@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccccc1 12535183 YFCQUWCCPHLPIN-ZDUSSCGKSA-N 324.384 2.468 0 40 DEAB CCN1CCOC(=O)[C@H]1CC(=O)Nc1cccc(Cl)c1C 54670560 HIDARGYRUKZXBK-CYBMUJFWSA-N 310.781 2.224 0 40 DEAB COCCN1CCO[C@H]2CCN(Cc3ccc(F)cc3C)C[C@@H]21 108526945 SRCWWBGJGSHORH-ROUUACIJSA-N 322.424 2.056 0 40 DEAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(C)n2)Oc2ccccc21 12554067 GYCHKZXFAMKZFB-HNNXBMFYSA-N 311.341 2.143 0 40 DEAB CC(C)(C)c1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3C=CCC3)CCO2)n1 76046176 CFQCWNFIRAFPRU-OLZOCXBDSA-N 318.421 2.358 0 40 DEAB O=C(NCCCn1cccn1)N[C@H]1CCOc2ccccc21 47867312 FYZACVIYMJJBPC-AWEZNQCLSA-N 300.362 2.096 0 40 DEAB COc1ccc(CNC(=O)COc2ncnc3ccccc23)cc1 3277484 XSZJGSICTQQLFL-UHFFFAOYSA-N 323.352 2.334 0 40 DEAB COc1ccc([C@@H](C)NC(=O)COC(=O)c2ccoc2)cc1 57472188 GOTMXNHFYOQCHK-LLVKDONJSA-N 303.314 2.322 0 40 DEAB COc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)c1 44367605 VKCVFZRCUOHINB-GDBMZVCRSA-N 316.401 2.227 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)Nc1ccc2oc(=O)[nH]c2c1 58062788 XWTFOVWXKUVUMN-UHFFFAOYSA-N 322.317 2.369 0 40 DEAB CCN(CC)C(=O)N1CCN(Cc2ccnc(Cl)c2)CC1 58158907 DQFFBFQHNBSRCM-UHFFFAOYSA-N 310.829 2.314 0 40 DEAB COc1ccc(C(=O)O[C@H](C(N)=O)c2ccccc2)c(F)c1 10373765 ZBZLIIPEOXYRPK-AWEZNQCLSA-N 303.289 2.218 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)/C=C/c1ccco1 10720892 VFSYSHPKKLBMPQ-SNAWJCMRSA-N 315.354 2.249 0 40 DEAB Cc1cnc2c(S(=O)(=O)N[C@@H](C)[C@@H]3CCCO3)cccc2c1 28327615 CQWWPWGRIPRECF-JSGCOSHPSA-N 320.414 2.389 0 40 DEAB O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[C@H](O)C1 48137989 GCIQSXVXFDVNPX-ZDUSSCGKSA-N 307.369 2.415 0 40 DEAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1cncc(F)c1 91210360 YKJGHWAFQFGRBV-LBPRGKRZSA-N 316.332 2.425 0 40 DEAB CC(C)c1c(/C(O)=N/S(C)(=O)=O)cnn1-c1ccccc1 48487022 PTAXKICSSOMKAM-UHFFFAOYSA-N 307.375 2.260 0 40 DEAB Cc1cccc2c(=O)n(CC(=O)NC3CCC(C)CC3)cnc12 12907533 OITJJVYUOLOEDV-UHFFFAOYSA-N 313.401 2.400 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)C(=O)c3ccccc32)c1 3640276 LQZWBGRFFJUJAG-UHFFFAOYSA-N 308.337 2.471 0 40 DEAB CC(C)(C)CC(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326678 BPMZQRRAAVNVHN-UHFFFAOYSA-N 318.377 2.434 0 40 DEAB O=C(CCc1nccs1)N1CCN(c2ccccc2)CC1 49677725 ZIVFYPUIJOOEAN-UHFFFAOYSA-N 301.415 2.425 0 40 DEAB C[C@@H](c1nc(C2CC2)no1)N(C)CC1CCN(C[C@@H](C)O)CC1 69918493 HCXKBCOVUNQYBX-OLZOCXBDSA-N 322.453 2.033 0 40 DEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cnc(C)cn1 49941120 IPPXXBBBIFGENH-ZDUSSCGKSA-N 313.357 2.087 0 40 DEAB N=c1sc(C(=O)c2cccs2)nn1-c1ccc(O)cc1 68602085 NFSQOPUQYHPTRF-UHFFFAOYSA-N 303.368 2.411 0 40 DEAB CC[C@@](C)(NC(=O)c1ccc(N2CCCC2)c(F)c1)C(=O)OC 69583937 RLJIFHOBOQBMJP-QGZVFWFLSA-N 322.380 2.497 0 40 DEAB O=C(CCNC(=O)c1ccc(F)cc1F)NCc1ccccc1 14051216 OYEVOMQBHZNFNM-UHFFFAOYSA-N 318.323 2.401 0 40 DEAB O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)NC1CC1 69594458 SQMUSBFKOFXGDT-HNNXBMFYSA-N 323.824 2.175 0 40 DEAB CC(C)NC(=O)N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 69699680 VMBSTZRNDRPRSG-CYBMUJFWSA-N 308.357 2.140 0 40 DEAB CC(C)Cc1cc(C(=O)N(Cc2cnn(C)c2)C(C)C)[nH]n1 69628921 DCFRYOIFFCBGCM-UHFFFAOYSA-N 303.410 2.393 0 40 DEAB C[C@H](Oc1ccccc1F)c1nnc(S[C@H](C)C(N)=O)o1 4938040 VDDXMMFNBIOYBJ-JGVFFNPUSA-N 311.338 2.315 0 40 DEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)NC1CCCCCC1 6904487 SURPJKPUVJSGCP-UHFFFAOYSA-N 321.421 2.080 0 40 DEAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cccc(CC)c2)C1 15259744 YWZXPSSBJDEYRV-OAHLLOKOSA-N 318.417 2.463 0 40 DEAB Nc1cc(C(=O)N[C@@H]2CCCN(CCc3ccccc3)C2)ccn1 19147541 PDERTZSTNWZCNZ-QGZVFWFLSA-N 324.428 2.101 0 40 DEAB CCc1ccc([C@@H](C)N[C@@H]2CCc3nc(COC)nn3C2)o1 90395667 OZFRWXUHTNHFKC-VXGBXAGGSA-N 304.394 2.246 0 40 DEAB COc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2OC)cn1 8942755 XMSCAISNEXXMFY-UHFFFAOYSA-N 315.329 2.310 0 40 DEAB CCS(=O)(=O)NCCSc1nc(-c2ccccc2)c[nH]1 68050451 DUJTWJWFZMPEQS-UHFFFAOYSA-N 311.432 2.108 0 40 DEAB C[C@H](C(=O)N(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684280 KLCKUMOFHHKUHW-UKRRQHHQSA-N 318.417 2.462 0 40 DEAB CCc1ccccc1NCC(=O)NC(=O)NCc1ccco1 9337110 FFOKNUXDFRQCIL-UHFFFAOYSA-N 301.346 2.280 0 40 DEAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O 409200653 JFRWLTVMTKYCLX-FKVCUQLRSA-N 308.359 2.393 0 40 DEAB CC(=O)O[C@H](c1ccccc1)c1nc(C2CCNCC2)no1 71790443 DTIFIXAOCRLHHS-CQSZACIVSA-N 301.346 2.189 0 40 DEAB CN(C)CCNC(=O)Nc1ccc(F)c(Br)c1 97052197 QIZBDQRBHCHSSX-UHFFFAOYSA-N 304.163 2.271 0 40 DEAB C[C@@H](CNC(=O)Nc1ccn(C)n1)N1CCc2sccc2C1 71883935 KTOHJNPBUKYZIV-NSHDSACASA-N 319.434 2.050 0 40 DEAB CC(C)(C)c1ncc(C(=O)N[C@H](C(N)=O)c2ccccc2)s1 71825473 CBHJSUOPJKNAQF-LBPRGKRZSA-N 317.414 2.397 0 40 DEAB CCCCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 19909492 CFYAQDSNKFQFQD-UHFFFAOYSA-N 313.419 2.277 0 40 DEAB COc1nc(C)ccc1CNC(=O)c1cccc(CN(C)C)c1 72294948 CHCZOZDRONUKQN-UHFFFAOYSA-N 313.401 2.390 0 40 DEAB O=C(Nc1cccc(N2CCCNC2=O)c1)c1ccnc(F)c1 72303016 CYSCDNKIAFZVMS-UHFFFAOYSA-N 314.320 2.393 0 40 DEAB COC(=O)[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1-n1ccnc1 97233298 KNGTUNZCKJDSOJ-STQMWFEESA-N 313.357 2.400 0 40 DEAB C[C@@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)CC1(C)OCCO1 84637148 QLCSOVVFFDSRHV-MWLCHTKSSA-N 310.221 2.476 0 40 DEAB CCN1CCCN(S(=O)(=O)c2cc3ccccc3o2)CC1 84789206 PVDWDPMWAHEXEG-UHFFFAOYSA-N 308.403 2.149 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)c2cccc(-n3cncn3)c2)C1(C)C 73265914 VVGCMKZWAVNKFC-WMLDXEAASA-N 314.389 2.201 0 40 DEAB O=C(NC[C@H]1CC=CCC1)N1CCC(O)(C(F)(F)F)CC1 95985199 IAPYHYMUORNNGY-NSHDSACASA-N 306.328 2.442 0 40 DEAB CN(C)Cc1c(C(=O)N[C@H]2CCCOC2)oc2ccccc12 74585536 GBHTYTZIBDQRGX-LBPRGKRZSA-N 302.374 2.403 0 40 DEAB Fc1ccc2ncnc(N3CCN(C[C@H]4CCCO4)CC3)c2c1 75094670 ZVOKKDRTMLWJLD-CQSZACIVSA-N 316.380 2.070 0 40 DEAB COc1ccc(NC(=O)Nc2ccc3nnnc(O)c3c2)cc1 524733654 AGHHEHRVFDESNU-UHFFFAOYSA-N 311.301 2.383 0 40 DEAB CCN1CCC(NC[C@@H](O)COc2ccc(C)cc2C)CC1 32500643 WJKMWZHTSZKQCG-QGZVFWFLSA-N 306.450 2.117 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCSCCSCC2)cc1 33799382 DUMZODPVHVBNAU-UHFFFAOYSA-N 317.501 2.466 0 40 DEAB O=S(=O)(c1ccccc1)N1CCC[C@H](c2cnccn2)C1 72363870 SVYBJANKONOVDW-ZDUSSCGKSA-N 303.387 2.045 0 40 DEAB CCOc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1Cl 74935370 AFJDECQFTNLEBY-JTQLQIEISA-N 319.810 2.196 0 40 DEAB CCCCn1cc(I)c(C(=O)OC)n1 72339411 KPARSMMZKOZGAK-UHFFFAOYSA-N 308.119 2.074 0 40 DEAB CNC(=O)CN(C(=O)CC[C@@H]1CC[C@@H](C)O1)c1ccccc1C 74726823 SHIOUTDYNFBSTL-CABCVRRESA-N 318.417 2.422 0 40 DEAB OCc1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634541 MXZVKWWFTYBEAI-UHFFFAOYSA-N 300.265 2.364 0 40 DEAB Cc1nnc(CN[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)o1 189479216 FVULIIBQWVMPFB-VXGBXAGGSA-N 310.398 2.304 0 40 DEAB Cc1ccccc1CN1CCC(C(=O)NCCCN(C)C)CC1 39763854 QPEMPAKWXLKNGP-UHFFFAOYSA-N 317.477 2.275 0 40 DEAB CC(=O)Nc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239263 XJBVJSRDPJGODS-UHFFFAOYSA-N 322.390 2.223 0 40 DEAB C[C@H](NC(=O)[C@@H]1COc2ccccc2C1)c1nnc2ccccn12 40468731 LHZCCJDNVQCMFM-JSGCOSHPSA-N 322.368 2.158 0 40 DEAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C)CC1 225666856 HURYNZUUEPINJX-SFHVURJKSA-N 316.445 2.497 0 40 DEAB Cc1nccn1CCCNC(=O)c1cncnc1-c1ccccc1 225773918 GXXTVBOANUECHJ-UHFFFAOYSA-N 321.384 2.469 0 40 DEAB C[C@](O)(CNC(=O)[C@H]1CC=CCC1)c1ccc2c(c1)OCO2 75170242 VAZNFEUCGFGZFU-SJCJKPOMSA-N 303.358 2.095 0 40 DEAB COCCNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 85874795 JDPDFCPJTNVYCG-UHFFFAOYSA-N 302.374 2.034 0 40 DEAB biogenic OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 223602006 GHTUIPODPXYUHK-KGLIPLIRSA-N 303.387 2.030 0 40 DEAB Cc1cc(NC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)[nH]n1 47555158 YXPXYHIZCLRYAW-UHFFFAOYSA-N 323.356 2.342 0 40 DEAB COCCN1[C@@H](C)CN(C[C@H](OC)c2ccccc2)C[C@H]1C 225786099 VSOKUUINRNPAGE-JZXOWHBKSA-N 306.450 2.415 0 40 DEAB O=C(c1ccoc1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96218788 OHZWNHHLUOEBER-LZWOXQAQSA-N 314.341 2.126 0 40 DEAB COc1ccc(CN2CCOC[C@H](Oc3cccnc3)C2)cc1 96113204 VBDVTAJXCRRSAA-GOSISDBHSA-N 314.385 2.370 0 40 DEAB biogenic,in-vitro C[C@](O)(CNC(=O)NC1CCOCC1)c1ccccc1Cl 97378826 NCMFRYGXPLTSBS-HNNXBMFYSA-N 312.797 2.026 0 40 DEAB CNC(=O)N1CCC2(CC1)C(=O)N(C(C)C)c1c(F)cccc12 96261772 PSTVWPSXQLLBCI-UHFFFAOYSA-N 319.380 2.254 0 40 DEAB Cc1nc(-c2cccc(C(=O)NCc3ccccc3CO)c2)no1 96436186 OWKBGAKZSVNAQD-UHFFFAOYSA-N 323.352 2.467 0 40 DEAB CC(=O)c1cc(F)ccc1OC[C@@H](O)CN1CCC(C)CC1 95439009 GSJCDDMBYPEJDZ-HNNXBMFYSA-N 309.381 2.500 0 40 DEAB CCN1CCOC[C@@]2(CCCN(C(=O)c3ccoc3C)C2)C1 96049604 RTOAHZKNKAWUTI-KRWDZBQOSA-N 306.406 2.163 0 40 DEAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cccc2nccnc12 95478339 XLVGVFUGGNUCPV-LLVKDONJSA-N 312.329 2.062 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1nc(C(F)(F)F)ccc1=O 96484289 NTWIABVTAQQJST-UWVGGRQHSA-N 317.311 2.052 0 40 DEAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc2[nH]cnc2c1 96493776 WARCEDHCMKFVOB-ZDUSSCGKSA-N 315.373 2.369 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@H]3c3ccnc(O)n3)cn12 257328974 XHVMFFXDVFPMQP-AWEZNQCLSA-N 323.356 2.116 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-n2ccnc2)ccn1 85558239 CSGAYTKTGWEFAX-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB O[C@H]1CCN(Cc2cncnc2)C[C@H]1Cc1ccccc1F 585274962 SGCOHDWSZHPXSJ-WBVHZDCISA-N 301.365 2.041 0 40 DEAB O=C(NCCC1=CCCCC1)N1CCC(N2CCNC2=O)CC1 57410543 RAVOHJCNDNYJDR-UHFFFAOYSA-N 320.437 2.076 0 40 DEAB CCOC(=O)CN(CC(C)C)C(=O)Cc1csc(CC)n1 65613114 HILVTIPKVUCSSH-UHFFFAOYSA-N 312.435 2.296 0 40 DEAB CCc1cc(Nc2ccn(Cc3ccccn3)n2)n2ncnc2n1 69351682 JHNBDJQIMJQONE-UHFFFAOYSA-N 320.360 2.070 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)Cc2n[nH]c3ccccc23)cn1 69848051 NZWOOGFTNWDQEH-INIZCTEOSA-N 309.373 2.203 0 40 DEAB N[C@H](Cc1cc(Br)ccc1Br)C(=O)O 6224396 BLPQUKKGXNVOIA-MRVPVSSYSA-N 322.984 2.166 0 40 DEAB O=C(Cn1nnc2ccccc21)N1CCC(c2ccncc2)CC1 12144733 JFKSUCWAPKSFQC-UHFFFAOYSA-N 321.384 2.233 0 40 DEAB O=C(c1ccccn1)N1CCC(c2n[nH]c3ncccc23)CC1 12221937 QYKDEPJPHJYAIC-UHFFFAOYSA-N 307.357 2.373 0 40 DEAB CC[C@@H](C(=O)N(CC)CC)N(c1ccccc1)S(C)(=O)=O 13710957 AAYZNVAXDLKNRP-AWEZNQCLSA-N 312.435 2.100 0 40 DEAB O=C(CN1C(=O)CSC1=O)Nc1ccc(F)c(Cl)c1 15019147 LTEVMIPCAYETIM-UHFFFAOYSA-N 302.714 2.113 0 40 DEAB COc1cccc(CN2CCN(C(=O)c3ccno3)[C@@H](C)C2)c1 19575634 DUNQQDJYCYUYLO-ZDUSSCGKSA-N 315.373 2.030 0 40 DEAB O=C(NC[C@]1(O)CCCc2occc21)c1noc2c1CCCC2 1888843059 OFPINOPVLHSYQT-QGZVFWFLSA-N 316.357 2.100 0 40 DEAB COc1cccc(C(=O)N2CCC(Nc3ccncn3)CC2)c1 1888854198 HVQWJFYRCLUNCK-UHFFFAOYSA-N 312.373 2.202 0 40 DEAB COC(=O)CCCCCCNC(=O)c1cn2ccc(C)cc2n1 29437816 HZTPMMZJKQBMLW-UHFFFAOYSA-N 317.389 2.496 0 40 DEAB Cc1ncnc(N2CCN(c3ccnc(C(C)C)n3)CC2)c1F 1776009854 URTMAABQUIRQPA-UHFFFAOYSA-N 316.384 2.164 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)O)C2)sc1Cl 252507342 WIMXYZKEYFVPBV-VHSXEESVSA-N 323.867 2.491 0 40 DEAB COc1ccc(C[C@](C)(O)CNc2ncnc3cnccc23)cc1 1775972804 WSACSBVCVANFKT-SFHVURJKSA-N 324.384 2.439 0 40 DEAB Cc1nccc(O[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2)n1 585147117 JQGPGHGQCBRAIN-MRXNPFEDSA-N 322.368 2.331 0 40 DEAB Cn1c(N2CCC[C@@H](NC(=O)C(C)(C)C)C2)nc2cccnc21 2298179355 FDGOFQTUPKXNAF-GFCCVEGCSA-N 315.421 2.099 0 40 DEAB O=S(=O)(c1ccc(NCC2CCCC2)nc1)N1CCCC1 40083121 RMYZEWXIEDLNNN-UHFFFAOYSA-N 309.435 2.468 0 40 DEAB CC(C)c1noc([C@H](C)Sc2nnnn2C[C@H]2CCCO2)n1 40496566 AJMWZQVYQJPUTP-VHSXEESVSA-N 324.410 2.212 0 40 DEAB O=C(NCc1ccccc1CN1CCOCC1)NC1CCCC1 40477795 YDCZWHVQCCHQII-UHFFFAOYSA-N 317.433 2.261 0 40 DEAB CCC[C@@H](C)NC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 40477688 AIUVQZBPJDKWDY-DGCLKSJQSA-N 322.405 2.451 0 40 DEAB O=C(NCCC(=O)N1CCCC1)c1cc(F)c(F)cc1Cl 40461211 ZTVPQVSMNJFXCP-UHFFFAOYSA-N 316.735 2.361 0 40 DEAB O=C(c1ccc(-n2cncn2)cc1)N1CCO[C@H]2CCCC[C@H]21 40554174 LYKQSSQKMZTQTH-CVEARBPZSA-N 312.373 2.051 0 40 DEAB c1ccc2oc(Sc3nnnn3C[C@@H]3CCCO3)nc2c1 51471559 GGBUGINMWMVJDC-VIFPVBQESA-N 303.347 2.145 0 40 DEAB Cc1cnc(S(=O)(=O)Cc2cccc(OC(F)F)c2)nc1 91576004 JOLNPSXZAJTOST-UHFFFAOYSA-N 314.313 2.360 0 40 DEAB COc1ccc(C(N)=O)cc1NC(=O)c1ccc(N(C)C)cc1 2748508 IQJTZTUELLFDGW-UHFFFAOYSA-N 313.357 2.112 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1[nH]nc2c1CCCC2 32809671 YQCHFRQUDYTLFQ-UHFFFAOYSA-N 313.357 2.289 0 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NTXLUFHZBOFQMR-YUMQZZPRSA-N 318.192 2.190 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1 12322400 OCROFVRTSFQCBX-AWEZNQCLSA-N 321.384 2.413 0 40 DEAB CCOC(=O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NNC1=O 1383516 ZZCFGRJYCNNHOG-QMMMGPOBSA-N 315.156 2.397 0 40 DEAB CO[C@H](CNC(=O)N1CCO[C@@H](C)[C@@H]1C)c1ccc(F)cc1 108117657 MNUSOVGASAQOQE-SLEUVZQESA-N 310.369 2.332 0 40 DEAB CN(CC(=O)Nc1ccc2[nH]ncc2c1)C(=O)c1ccccc1 58191014 DZHXRYMVPHLAJC-UHFFFAOYSA-N 308.341 2.274 0 40 DEAB COc1ccc(COC[C@H](O)CNC(=O)C2CCCCC2)cc1 58266212 ZOEIXHYONJVPCH-MRXNPFEDSA-N 321.417 2.269 0 40 DEAB CC(C)CCC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 58341834 SNKOEROHPQUMBG-UHFFFAOYSA-N 313.419 2.485 0 40 DEAB COc1ccc(C(=O)NCCCN2CCC(C)CC2)c(O)c1 28066595 DLFYZARYIOBZKK-UHFFFAOYSA-N 306.406 2.253 0 40 DEAB COc1ccc(-c2nonc2NC(=O)c2snnc2C)cc1 27788945 FGXAVNARAGRGTA-UHFFFAOYSA-N 317.330 2.157 0 40 DEAB CS(=O)(=O)c1cccc(OCc2nnsc2Cl)c1 36325622 ISLOFPMMDKAKEM-UHFFFAOYSA-N 304.780 2.174 0 40 DEAB COCCN(C)CCNC(=O)CCSc1ccc(F)cc1 69517156 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319.518 2.459 0 40 DEAB O=C(O)[C@H]1CN(C(=O)CCc2nccs2)c2ccccc21 262861943 ZOQRONLLMDASPU-NSHDSACASA-N 302.355 2.291 0 40 DEAB CC(C)Oc1cccc(C(=O)N2CCC3(CC2)C[C@H]3C(=O)O)n1 263287787 VKLPKQLBGZAWQX-LBPRGKRZSA-N 318.373 2.196 0 40 DEAB COC(=O)c1cc2c(cc1NC(=O)N1CCC(C)CC1)OCO2 277225805 NQLRVFRRSKUKQM-UHFFFAOYSA-N 320.345 2.466 0 40 DEAB O=C(Cn1cccn1)N1CCCc2nc(Br)ccc21 585141202 RIYIWYHGTCVWBO-UHFFFAOYSA-N 321.178 2.020 0 40 DEAB CCn1c(O)nnc1SCc1c(OC)cccc1C(=O)OC 585141641 YLXCNBMDRQYOPY-UHFFFAOYSA-N 323.374 2.091 0 40 DEAB Cn1cc(C(=O)NC[C@@H](c2ccsc2)c2ccco2)nn1 670880776 KBPJKZKNJWARHR-NSHDSACASA-N 302.359 2.032 0 40 DEAB c1cnc(OC[C@@H]2CCn3nccc3CN2C2CCCC2)cn1 585098162 VJYVZEBIJAWMJN-INIZCTEOSA-N 313.405 2.269 0 40 DEAB C[C@H]1C[C@H](C)CN(CCCCNC(=O)Nc2nncs2)C1 47497974 HZAHLTNWWSPCIJ-RYUDHWBXSA-N 311.455 2.418 0 40 DEAB O=C(C=C(C1CC1)C1CC1)NCc1cccnc1-n1cncn1 58272921 AHEHTUGRXBZNSR-UHFFFAOYSA-N 309.373 2.025 0 40 DEAB Cc1nnsc1C(=O)Nc1c(C)nc(N2CCCC2)nc1C 96098563 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UBLKZTYOVDUFHT-RKLWJJNISA-N 315.369 2.224 0 40 DEAB Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@H](C(N)=O)C1 41128459 ZZZWIRDMJQXDIV-VIFPVBQESA-N 321.427 2.127 0 40 DEAB CCn1cc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cn1 46468285 YQTZLORYGPVRQM-CYBMUJFWSA-N 304.398 2.336 0 40 DEAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1Cc1ccccc1Cl 494932 SWQQENYASJFRGD-CYBMUJFWSA-N 324.739 2.160 0 40 DEAB CCOC(=O)N[C@@H](C(=O)NCCc1ccccc1F)C(C)C 32914187 LFYQHMWBFJLLAA-CQSZACIVSA-N 310.369 2.255 0 40 DEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NCCC1=CCCCC1 102636523 HSDCBUWHBBOGOR-GASCZTMLSA-N 318.417 2.168 0 40 DEAB CCc1ccc(NC(=O)[C@@H](Cc2ccncc2)c2nnn[nH]2)cc1 57523587 LDLYVWOAANETME-HNNXBMFYSA-N 322.372 2.122 0 40 DEAB Cn1cc(Cl)cc1C(=O)NCC(=O)OCc1ccccc1 22738960 ZUQGYSSBOLOVBY-UHFFFAOYSA-N 306.749 2.152 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1cccc(-n2cnnn2)c1 47742281 JQLHIAIDCNSRKD-LBPRGKRZSA-N 311.345 2.006 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 24032177 VDYLRPCPHHZUJJ-UHFFFAOYSA-N 310.357 2.033 0 40 DEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)NC[C@H]1CCCO1 42865579 HNGGAHLDLFMVAM-CQSZACIVSA-N 320.389 2.168 0 40 DEAB C[C@]12CC(=O)[C@@]3(O)[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 118923456 NDNYWDRLRPSNOT-QDVJHEOESA-N 320.429 2.253 0 40 DEAB CC[C@H](Sc1nncn1-c1ccccc1OC)C(=O)OC 12515319 PWPFVOYGNZVPRP-LBPRGKRZSA-N 307.375 2.320 0 40 DEAB CCc1nnc(NC(=O)CCC(=O)NCc2ccccc2)s1 1274467 KZPAECKKBGOADB-UHFFFAOYSA-N 318.402 2.136 0 40 DEAB CN(C)c1cc(CNC(=O)Nc2nnc(C3CC3)s2)ccn1 43359594 ZTRSLMXHJSXILX-UHFFFAOYSA-N 318.406 2.198 0 40 DEAB COC(=O)c1ccc(C(=O)N[C@H]2CCOc3ccccc32)nc1 25094678 GWNICJVADHRSKS-ZDUSSCGKSA-N 312.325 2.122 0 40 DEAB CC(=O)N1CCc2cc(Nc3ncnc4c3cnn4C)ccc21 12588494 VACVHBQCQJHFQN-UHFFFAOYSA-N 308.345 2.016 0 40 DEAB O=C(NOCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccco1 25286665 WMZZXKSMPOSSGM-AWEZNQCLSA-N 314.341 2.132 0 40 DEAB CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)nc1 56272518 LKTALMWNIMPSIY-MRXNPFEDSA-N 312.369 2.294 0 40 DEAB Oc1nnc(-c2cccs2)c2sc(N3CCOCC3)nc12 26421177 GBUDXKKPNFICCI-UHFFFAOYSA-N 320.399 2.357 0 40 DEAB C/C=C/C=C/C(=O)Nc1cc(OC)c(OC)cc1C(=O)NC 27065223 FJUZVCTWOLSFRP-BSWSSELBSA-N 304.346 2.134 0 40 DEAB O=C(NCc1sccc1Br)NC1CCOCC1 58587159 GCBHIBMFWUJESY-UHFFFAOYSA-N 319.224 2.489 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1cccc(S(C)(=O)=O)c1 48272003 IIKKHPKFDVILIT-GFCCVEGCSA-N 321.398 2.434 0 40 DEAB NC(=O)[C@@H](OC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 11149294 PQFLQCSADHISLM-AWEZNQCLSA-N 313.288 2.085 0 40 DEAB COc1ccc2nc(NC(=O)CNC(=O)[C@H]3C[C@H]3C)sc2c1 12981637 DNFWYFCMTLSXRH-SCZZXKLOSA-N 319.386 2.016 0 40 DEAB CCOC(=O)N[C@H](CNC(=O)CCc1ccccn1)CC(C)C 62879369 QUOJQSANNBOZLI-HNNXBMFYSA-N 321.421 2.291 0 40 DEAB Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2cc(O)ccc12 4000297 MXMUSMXTSOHUMY-UHFFFAOYSA-N 324.336 2.061 0 40 DEAB biogenic Cc1n[nH]cc1[C@H]1NC(=O)c2cc(Br)ccc2N1 69599562 SLQMSZSKKZGPNQ-LLVKDONJSA-N 307.151 2.335 0 40 DEAB O=C(c1cscn1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91765739 VSNVDIDKDXXUDC-RNCFNFMXSA-N 310.325 2.369 0 40 DEAB O=C(COC(=O)c1ccccc1O)Nc1ccc(F)c(F)c1 5078454 VEDCBXKRVJWSDU-UHFFFAOYSA-N 307.252 2.466 0 40 DEAB Cc1noc(CCCC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)n1 76060029 CXTKOISJLWSCPP-ZDUSSCGKSA-N 317.393 2.138 0 40 DEAB COC[C@H](C)Nc1ncnc2c1cnn2-c1ccc(F)cc1 4354460 TUZVDBLUSUIMKE-JTQLQIEISA-N 301.325 2.401 0 40 DEAB Cn1c(C2CC2)nn(CN2CCO[C@H]3CCCC[C@@H]32)c1=S 65553640 OGOUKMRDKSUSSQ-STQMWFEESA-N 308.451 2.429 0 40 DEAB COc1ccc2c(C)cc3nnc(SCCC(N)=O)n3c2c1 15242895 SIYXYIPLTVOABN-UHFFFAOYSA-N 316.386 2.167 0 40 DEAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 5937049 NVDSTFWXXITFER-CQSZACIVSA-N 314.410 2.413 0 40 DEAB Cc1cnc2c(c1)N(S(=O)(=O)c1cc(F)ccc1C)CCO2 90201225 LMQADNYBCDOCCK-UHFFFAOYSA-N 322.361 2.425 0 40 DEAB Cc1cc(C)nc(NNS(=O)(=O)/C=C/c2ccccc2)n1 7385627 FZGMYQGPIGMUCV-CMDGGOBGSA-N 304.375 2.011 0 40 DEAB COC(=O)[C@H](C)c1ccc(OS(=O)(=O)C(F)(F)F)cc1 117217983 FVDSSOJAXHHBNT-SSDOTTSWSA-N 312.265 2.192 0 40 DEAB COc1cc(C(=O)Nc2ccccc2C)ccc1OCC(N)=O 7756846 VVTOTEZUMPTPLV-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB CCNC(=S)NC[C@H](c1ccc(OC)cc1)N1CCCC1 16315633 SSOPXGNMKCIVQJ-OAHLLOKOSA-N 307.463 2.316 0 40 DEAB Cc1ccc(NC(=O)N2CCc3c(nc[nH]c3=O)C2)cc1Cl 96009549 JNOKZDDHIJOFIQ-UHFFFAOYSA-N 318.764 2.322 0 40 DEAB Cc1cc([C@](C)(O)CNC(=O)NCc2ncccc2C)c(C)o1 78952706 BECCABBDUZYAFI-QGZVFWFLSA-N 317.389 2.307 0 40 DEAB C[C@@H]1c2ccc(F)cc2CCN1CC(=O)Nc1nncs1 96414948 XWUHDFWZQYXNQP-SECBINFHSA-N 306.366 2.235 0 40 DEAB C[C@H](CC(=O)Nc1ccc2nccn2c1)NC(=O)c1ccccc1 72283762 YLWKXIOOZSDQEI-CYBMUJFWSA-N 322.368 2.481 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)CCC(C)C)C12CCC2 72295809 MGSMBTCNGWRNGP-ZIAGYGMSSA-N 310.438 2.003 0 40 DEAB CC[C@@H]1CN(CCOc2ccc(C)cc2)CCN1C[C@@H](C)O 72279685 APCWNYMKOGNEBH-IAGOWNOFSA-N 306.450 2.151 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCC[C@@H](c2ccn[nH]2)C1 72282911 KPIDIGVQMXMFJJ-CYBMUJFWSA-N 311.389 2.399 0 40 DEAB Cc1cccc2nc(COC(=O)[C@@H]3C[C@H]3c3ccco3)cc(=O)n12 84230413 UZXSVXXIBBCSNT-ZIAGYGMSSA-N 324.336 2.443 0 40 DEAB CCC[C@](C)(CCCNC(=O)Nc1cn[nH]c1)C1OCCO1 72306243 RRSUDFSXVRHSNH-OAHLLOKOSA-N 310.398 2.491 0 40 DEAB Cn1cc(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)cn1 97233531 NBYULVOCECXZFZ-LLVKDONJSA-N 322.771 2.221 0 40 DEAB COC(=O)C(C)(C)[C@@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 97235725 LOTZYHGBUNTAAM-GFCCVEGCSA-N 324.446 2.258 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1C(=O)[C@@H](C)c1ccc(Cl)s1 95979138 RBNWDMGBZWSXGH-LPEHRKFASA-N 303.811 2.113 0 40 DEAB OCCN(Cc1nc2cc(Br)ccc2[nH]1)C1CC1 95941556 CZQUWBFVGYTUJF-UHFFFAOYSA-N 310.195 2.282 0 40 DEAB O=S(=O)(Cc1cccc(F)c1)NCC1(O)CCCCCC1 95972867 JWZVAEIJZKXOPA-UHFFFAOYSA-N 315.410 2.330 0 40 DEAB CNS(=O)(=O)c1ccc(NC[C@H](OC)C(C)(C)C)c(F)c1 95982727 AHCSBZKCXCUQQR-ZDUSSCGKSA-N 318.414 2.207 0 40 DEAB C[C@H](CN1C(=O)N[C@H](CC(F)F)C1=O)Oc1ccccc1F 95992597 SLAUPOPZMORLPC-PSASIEDQSA-N 316.279 2.169 0 40 DEAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1O 409035202 OYUHBPVURLJERG-FLIBITNWSA-N 306.387 2.211 0 40 DEAB CCOC(=O)[C@H](Oc1ccccc1O)[C@@H](O)c1ccccc1 526059778 VGWWYWFXWLRSIU-JKSUJKDBSA-N 302.326 2.436 0 40 DEAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)[C@@H](C)c1cccnc1 125590169 ZPDPPCZGBKPLIC-YOEHRIQHSA-N 323.396 2.193 0 40 DEAB O=C(O)CN1C(=O)/C(=C/c2ccsc2)c2ccccc2C1=O 35296292 QJHYRCFDNHSFAR-NTUHNPAUSA-N 313.334 2.356 0 40 DEAB Cc1c[nH]nc1[C@H]1CCCCN1C(=O)CCn1nccc1C 72385631 RYSDLSQGDAZTEW-CQSZACIVSA-N 301.394 2.367 0 40 DEAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCc3ccccc32)cn1 72330281 RXIXFJUZJAHZRN-MRXNPFEDSA-N 310.353 2.351 0 40 DEAB O=C(O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)c(O)c1 315108551 PQEPLNGBCVGDTC-UHFFFAOYSA-N 301.254 2.071 0 40 DEAB Cc1noc([C@H](C)NC(=O)C[C@H]2OCCc3ccccc32)n1 79357788 WTOMZNFOGAJQHX-IINYFYTJSA-N 301.346 2.259 0 40 DEAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)CC2CCCCC2)on1 78556407 SNYCBQKBFAQOPO-NSHDSACASA-N 314.407 2.305 0 40 DEAB Cc1cc(C)n(CCNC(=O)COc2ccc(Cl)cc2)n1 44158886 QGAXIQYZSLUYGJ-UHFFFAOYSA-N 307.781 2.349 0 40 DEAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccncc1)[C@@H]2C(=O)O 225806638 KEUYELIHZTYLBG-WMHQRMGPSA-N 314.385 2.391 0 40 DEAB Cc1nn(C)c2cn([C@H](C)C(=O)N(C)Cc3cccs3)nc12 40715053 HYMVJDKKQJKKNJ-LLVKDONJSA-N 317.418 2.359 0 40 DEAB Cn1cc(C(=O)N2CCN3CCOc4cccc2c43)c(C2CC2)n1 329769953 IHJAMVWGYSNZIG-UHFFFAOYSA-N 324.384 2.157 0 40 DEAB CN(C)S(=O)(=O)N(CCC(F)(F)F)C1CCCCC1 84675647 ZJNPRGYZOWSPRR-UHFFFAOYSA-N 302.362 2.380 0 40 DEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC[C@H](O)COc1ccc(F)cc1 195550568 NBXUJPPVBRTLII-LLLHUVSDSA-N 323.408 2.359 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NC[C@@H]1CCOc2ccccc21 96491643 HTGBTFRTSVXSDE-YSVLISHTSA-N 323.458 2.498 0 40 DEAB CC[C@@H](CO)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 96305761 GUECEROUWURMOT-HNNXBMFYSA-N 305.399 2.403 0 40 DEAB O=C(c1ccoc1)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 96073905 BOHSFIKAHTYUKJ-GDBMZVCRSA-N 301.346 2.113 0 40 DEAB CN(C)CCN1CCC2(CCCN(C(=O)C3CCC3)C2)CC1 96217487 IUYPKQLEHRJQNO-UHFFFAOYSA-N 307.482 2.053 0 40 DEAB COc1ccc(C(=O)N2CCC3(CC2)C[C@H](OC)CO3)cc1F 96106554 MESWCDCLWODATO-ZDUSSCGKSA-N 323.364 2.244 0 40 DEAB Cc1cnc2n1CCN(C)C21CCN(C(=O)CC(C)C)CC1 96144966 ZQHOFOSHQGDYEK-UHFFFAOYSA-N 304.438 2.001 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)c1cc(C(C)C)nc(N(C)C)n1 96101227 XYPBNEADJHRQKQ-UHFFFAOYSA-N 316.409 2.269 0 40 DEAB O=C(c1ccccc1F)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 96069873 HZMZOZUZFPDWEL-JKSUJKDBSA-N 300.333 2.039 0 40 DEAB O=C(C1CCOCC1)N1CC2(CCN(Cc3ccsc3)C2)C1 96046499 BRMRZPWJYXXQKR-UHFFFAOYSA-N 320.458 2.209 0 40 DEAB COC(=O)c1cccc(CNC(=O)c2sc(C)nc2C)c1 96466120 MWBYKWWZLLEQKN-UHFFFAOYSA-N 304.371 2.477 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 257324872 WQNPOQRQGIIHDT-LBPRGKRZSA-N 314.389 2.225 0 40 DEAB CCn1cc(C(=O)N(C)[C@@H]2CC[C@@H](OC)[C@@H]2O)c2ccccc21 257228102 FSHJJOFFYCFLTD-BRWVUGGUSA-N 316.401 2.272 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)n1 257299549 RQMGEALWZNVEPJ-LBPRGKRZSA-N 323.393 2.426 0 40 DEAB Cc1ncn(-c2ccc(NC(=O)Cc3ccn(C)n3)cc2)c1C 578432276 CIZUOFPLDYVFRE-UHFFFAOYSA-N 309.373 2.404 0 40 DEAB Cc1cc(C)nc(N2CC[C@@](O)(COc3cccc(F)c3)C2)n1 585278522 TZZCMYWHADPJDS-KRWDZBQOSA-N 317.364 2.253 0 40 DEAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)cc1 69350545 GUCAVXNWSLGAOC-JSGCOSHPSA-N 306.431 2.425 0 40 DEAB CCc1nnc2n1C[C@H](CNCc1nc3ccccc3n1C)CC2 69565978 XDHSDSRNBQLRKZ-ZDUSSCGKSA-N 324.432 2.079 0 40 DEAB COC(=O)CCNC(=O)c1cc(C)c(OC(F)F)c(C)c1 69899754 YEOADYLFRNNHLA-UHFFFAOYSA-N 301.289 2.198 0 40 DEAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 68235802 BZQVDPGMXJENHU-MNOVXSKESA-N 321.283 2.484 0 40 DEAB Cc1cn[nH]c1C1(C)CCN(S(=O)(=O)c2ccccc2)CC1 72388933 UVFBMHDVRQEFMA-UHFFFAOYSA-N 319.430 2.461 0 40 DEAB Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c(=O)[nH]1 75123671 GVRBRRDEJXELTK-CJNGLKHVSA-N 312.369 2.286 0 40 DEAB COc1nn(C)cc1CNC(=O)N[C@@H](C)c1cccc(F)c1F 893938675 REGSSXPMXMIXTP-VIFPVBQESA-N 324.331 2.267 0 40 DEAB COCCOC(=O)c1cccc(F)c1I 95432617 XXEWXRLRKODBNK-UHFFFAOYSA-N 324.089 2.234 0 40 DEAB CCC(=O)N1CC[C@H]2CC(=O)Nc3cccnc3OCC[C@H]2C1 1534646929 WTKVRXFCMHKFLL-STQMWFEESA-N 317.389 2.067 0 40 DEAB O=C(CN1CCc2c(Br)cccc2C1)NC1CC1 121144241 XBBMXEXWKSMLKY-UHFFFAOYSA-N 309.207 2.086 0 40 DEAB CN1C[C@@H](C(=O)NC2CCCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595811 MDWPHMVEHUALOI-VYDXJSESSA-N 318.392 2.496 0 40 DEAB Cc1cc(C(=O)NCCc2nc(C)ncc2-c2ccncc2)on1 12223037 CPBZHUUZWDOXMS-UHFFFAOYSA-N 323.356 2.116 0 40 DEAB CC(=O)c1csc(NC(=O)c2ccc(S(C)(=O)=O)cc2)n1 18232996 IZFJAKIOSFCDEZ-UHFFFAOYSA-N 324.383 2.002 0 40 DEAB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3)ccc21 19936743 QAQCJTLMONTERQ-UHFFFAOYSA-N 318.354 2.415 0 40 DEAB Cc1ccc(OC[C@]2(O)CCN(Cc3cscn3)C2)cc1 643913737 FFOFZTUBPRBXMU-INIZCTEOSA-N 304.415 2.467 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCN(C(=O)[C@H]2CC=CCC2)CC1 13151589 ZEJJWLIDYWAGNJ-IYBDPMFKSA-N 302.418 2.370 0 40 DEAB Cc1nc(C)c(F)c(N2CCN(c3ncc(Cl)cn3)CC2)n1 1888853914 UMUAPISOQAPFNK-UHFFFAOYSA-N 322.775 2.003 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ccccc2N)C1 1888913110 NNYBMEMYIFVQRZ-LLVKDONJSA-N 305.378 2.464 0 40 DEAB O=C(Cc1cccs1)N[C@@H](Cn1nccn1)c1ccccc1 244970239 HOWZSCALXWHGPS-HNNXBMFYSA-N 312.398 2.440 0 40 DEAB CO[C@H](CCSC)CNS(=O)(=O)c1ccc(F)cc1C 1775967021 BQFHRTZUTXRHQN-GFCCVEGCSA-N 321.439 2.181 0 40 DEAB CCC[C@](C)(NC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)O 36339139 SWLPDSTYQRUNES-AWEZNQCLSA-N 313.737 2.442 0 40 DEAB Cn1cnnc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 40540010 QCAHYBAVQQFMSJ-UHFFFAOYSA-N 306.174 2.096 0 40 DEAB NC[C@@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 50245785 ZMOAQZCHFLYAII-QMMMGPOBSA-N 301.159 2.009 0 40 DEAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nc(C)n[nH]1)C2 31810705 BAKYMZNBHPRUDI-GFCCVEGCSA-N 305.359 2.030 0 40 DEAB C[C@H](CCO)NC(=O)c1ccccc1NC(=O)c1ccccc1 75173 XDDKWCGBUDJSKV-CYBMUJFWSA-N 312.369 2.440 0 40 DEAB CCCC(=O)NC(=S)Nc1ccc(Br)cn1 570286 HPARRSLPYLOQTM-UHFFFAOYSA-N 302.197 2.457 0 40 DEAB Cc1cnc(NC(=O)Cn2nc(C)c3ccccc3c2=O)s1 29379236 DXHNZLIZZKBJIK-UHFFFAOYSA-N 314.370 2.109 0 40 DEAB CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@H](C(N)=O)C2)c1 69705718 SDWGHXVIBSJRDQ-HVHJFMEUSA-N 316.401 2.211 0 40 DEAB CCOC(=O)c1cnn([C@@H]2CCCN(C(=O)c3ccco3)C2)c1 91979284 AOMRPCTXQZZFKA-CYBMUJFWSA-N 317.345 2.130 0 40 DEAB C[C@@H]1C(=O)N(CC(=O)c2ccc[nH]2)C(=O)N1c1ccc(F)cc1 21267816 UDQNZGKRAQWMQT-SNVBAGLBSA-N 315.304 2.194 0 40 DEAB CS(=O)(=O)CCC(=O)Nc1ccc(-c2nccs2)cc1 32788460 VITQURVQEZRUTA-UHFFFAOYSA-N 310.400 2.183 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)c1nc(-c2ccccc2)oc1C 32738225 CWMZMGZBZOCUJH-NSHDSACASA-N 315.373 2.295 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)cs1 6681608 QQUQJNZFROELKA-UHFFFAOYSA-N 310.400 2.299 0 40 DEAB COC(=O)c1cc(COC(=O)c2ccc(OC)cc2O)oc1C 7396517 YGPOFIJUVQUTTA-UHFFFAOYSA-N 320.297 2.446 0 40 DEAB Cc1cc(C)c(NC(=O)CSc2nncc(=O)[nH]2)c(Cl)c1 11990563 BEWZTEXAGWRSPV-UHFFFAOYSA-N 324.793 2.166 0 40 DEAB CCOC(=O)CCn1c(CC(=O)OCC)nc2ccccc21 431640 CTJFNGRJCMYGHK-UHFFFAOYSA-N 304.346 2.095 0 40 DEAB CCn1cc(Cl)c(-c2nnc(S)n2-c2cn(C)nc2C)n1 2790349 QMISJZYWJCZPEV-UHFFFAOYSA-N 323.813 2.135 0 40 DEAB c1ccc(OCCSc2nnnn2C[C@@H]2CCCO2)cc1 53022918 KXRCFBRNVCNKQN-ZDUSSCGKSA-N 306.391 2.023 0 40 DEAB COC[C@H](C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 103431305 PTHGDEHSZZSSOE-ZDUSSCGKSA-N 308.397 2.189 0 40 DEAB COC(=O)c1ccoc1COc1cccc(S(C)(=O)=O)c1 47363433 ZFKFADXXDGLPKX-UHFFFAOYSA-N 310.327 2.049 0 40 DEAB Cc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cc1C 42541554 MZJAIVKKKYRIIP-UHFFFAOYSA-N 303.450 2.059 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc2[nH]cnc2c1 42636216 RCVUGJRSRXWHDI-UHFFFAOYSA-N 321.384 2.488 0 40 DEAB O=C(CCCOc1ccccc1)NCc1nnc2ccccn12 23644671 RAFMLECDGMPQCG-UHFFFAOYSA-N 310.357 2.205 0 40 DEAB O=C1CCCCCCN1CC(=O)N(Cc1cccnc1)C1CC1 48091324 QUCBHNZJLBSDGP-UHFFFAOYSA-N 315.417 2.365 0 40 DEAB Cc1cccc(CN2CC[C@@]3(CCN([C@H]4CCOC4)C3)C2=O)c1 107194191 JSRGPKBCSAYGIF-HKUYNNGSSA-N 314.429 2.208 0 40 DEAB NS(=O)(=O)c1ccc(CNc2nc3ccccc3o2)s1 25512846 ACTTWFSSRFYFRN-UHFFFAOYSA-N 309.372 2.149 0 40 DEAB C[C@H](NC(=O)COc1ccccc1C(N)=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 101912353 CNQDPAXAZLCNGI-JLNYLFASSA-N 316.401 2.105 0 40 DEAB CCc1cc(=O)n(CC(=O)NC(C)(C)C)c(-c2ccccc2)n1 57527343 AIVDECKOMVQVQV-UHFFFAOYSA-N 313.401 2.387 0 40 DEAB CC(C)(C(=O)NCCNC(=O)c1ccco1)c1ccccc1 27142755 IUTWZHSENDEYBX-UHFFFAOYSA-N 300.358 2.103 0 40 DEAB NC(=O)NCc1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1 27276684 YLRJKSGVNRNSEO-INIZCTEOSA-N 324.384 2.227 0 40 DEAB COc1cc(C)ccc1OCC(=O)Nc1ccc(N(C)C)nc1 22395256 PZXLDSCHHGSRBI-UHFFFAOYSA-N 315.373 2.482 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccccc1F 58332786 GEOBHTGYAXNGEC-OLZOCXBDSA-N 320.408 2.382 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306129446 IDLLLBWHIQUJKI-CQSZACIVSA-N 304.390 2.268 0 40 DEAB O=C(NCCCOC[C@@H]1CCCO1)N1CCc2sccc2C1 45161095 VKGHOZLIBCXPCT-AWEZNQCLSA-N 324.446 2.402 0 40 DEAB CCNC(=O)CCS(=O)(=O)Cc1ccc(C(C)(C)C)cc1 58934743 PYROFRFFQWTQGQ-UHFFFAOYSA-N 311.447 2.425 0 40 DEAB O=c1c2ccccc2ncn1C[C@@H](O)c1cc(F)ccc1F 48367528 UZVPYTGGQHTQPH-OAHLLOKOSA-N 302.280 2.408 0 40 DEAB Cc1ccc(CSCCNC(=O)c2ccc(=O)[nH]c2)cc1 12825195 DROSJDMGQONTEL-UHFFFAOYSA-N 302.399 2.347 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 13012560 YGQJKQUFUFKGNW-ZIAGYGMSSA-N 302.330 2.251 0 40 DEAB Cc1nnc(SCc2c(F)cccc2Cl)n1CC(N)=O 69511949 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COc1ccc(CNC(=O)c2ccc(Cn3cccn3)o2)cc1 27981525 VRBAZBVFBWTBFC-UHFFFAOYSA-N 311.341 2.463 0 40 DEAB COc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1 6840249 AJEQGTGZRJFUNF-UHFFFAOYSA-N 322.364 2.115 0 40 DEAB Cc1ccccc1CNC(=O)COC(=O)c1ccc(F)cc1N 7377114 ULDMUNAIJGWCOI-UHFFFAOYSA-N 316.332 2.190 0 40 DEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C)on2)C1=O 7823679 ZFZDHZOLVZINRY-INIZCTEOSA-N 317.320 2.479 0 40 DEAB COC(=O)C[C@H](NC(=O)c1ccccn1)c1ccc(OC)cc1 71049138 YGAHOAOWLHVSOZ-HNNXBMFYSA-N 314.341 2.124 0 40 DEAB CCN(CC)c1ccc(NC(=O)CN2CSCC2=O)cc1 9320357 PZNQZUCQRMUEPN-UHFFFAOYSA-N 307.419 2.004 0 40 DEAB CC[C@@H]1NC(=O)N(Cc2ccc(Br)s2)C1=O 97011138 FLMBXUGNVGHJMS-ZETCQYMHSA-N 303.181 2.341 0 40 DEAB Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)cnn1C(C)(C)C 71839758 RSPLSMJOHBHHRY-CQSZACIVSA-N 304.438 2.257 0 40 DEAB Cc1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)c(C)n1 71857442 FJAQVMQTVVVQGF-QGZVFWFLSA-N 321.384 2.461 0 40 DEAB O=C1[C@H](Sc2nnnn2C2CC2)CCN1c1ccccc1F 71899874 MAUNMHGTELYCKK-GFCCVEGCSA-N 319.365 2.045 0 40 DEAB Cc1ccc2c(CC(=O)N3C[C@@H](C(N)=O)CC[C@H]3C)coc2c1 71830237 VGRYEJGIGNWUPC-OLZOCXBDSA-N 314.385 2.396 0 40 DEAB Cc1ccc(-c2nc(CNC[C@@H]3CN(C)CCO3)co2)cc1 71879301 ZDZWXOIBSBBFGO-MRXNPFEDSA-N 301.390 2.070 0 40 DEAB C[C@@H](O)[C@H]1CCN(C(=O)NCCOc2ccccc2Cl)C1 97108066 OQHGLGMIMTUXIK-NEPJUHHUSA-N 312.797 2.131 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCc3nccn3C2)c2ccccc2n1 97197509 FZQZNGLYEHTZQI-ZDUSSCGKSA-N 306.369 2.485 0 40 DEAB CC(C)=CCOc1cccc(C(=O)NCc2n[nH]c(C)n2)c1 76041461 NZZAIVCDIAWLQJ-UHFFFAOYSA-N 300.362 2.388 0 40 DEAB CNC(=O)COc1ccc(OCc2cccc(N(C)C)c2)cc1 95402971 WANVEVJDYNHKHO-UHFFFAOYSA-N 314.385 2.456 0 40 DEAB Cc1noc(C)c1NC(=O)N1CCN([C@H](C)C(F)(F)F)CC1 78535579 YSOQCBVMTJJTSK-SNVBAGLBSA-N 320.315 2.392 0 40 DEAB O[C@@H]1CCCC[C@H]1N1CCN(CCc2ccc(F)cc2)CC1 95976580 YAZLCRWULHUPKI-QZTJIDSGSA-N 306.425 2.289 0 40 DEAB CCN1CCC[C@@H](CNC(=O)N2CC[C@H](OCC(C)C)C2)C1 95965775 XUGUGRIVUIFKKW-HOTGVXAUSA-N 311.470 2.175 0 40 DEAB NC(=O)NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 85958174 IRHRGGDTUWNPJF-LLVKDONJSA-N 318.402 2.018 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cccc(OC)c1 32911418 JJMOVJXAACDOHL-CQSZACIVSA-N 304.346 2.228 0 40 DEAB CN(C)CCCNc1ncnc2c1cnn2Cc1ccccc1 33582328 SQNSQTZFCTZSAT-UHFFFAOYSA-N 310.405 2.238 0 40 DEAB CCOC[C@@H]1CN(C(=O)Nc2sc(CC)nc2C)CCO1 529073350 CVWNZTMKOZJHSK-NSHDSACASA-N 313.423 2.283 0 40 DEAB CCCc1nnc(NCc2ccccc2N2CCOCC2)o1 181684950 YSFIDUDSMCZIGZ-UHFFFAOYSA-N 302.378 2.471 0 40 DEAB Cc1ccsc1[C@@H](O)CNC(=O)[C@H]1COc2ccccc2O1 75155233 KRBIJUIVLDIWKY-SMDDNHRTSA-N 319.382 2.046 0 40 DEAB CC(C)c1nnc(N2CCN(C(=O)c3ccsc3)CC2)o1 562690528 UQDWBCZFYRWBAH-UHFFFAOYSA-N 306.391 2.217 0 40 DEAB COCCCNC(=S)Nc1ccc(Br)c(C)n1 223887869 RBPZHGYBTQQBDX-UHFFFAOYSA-N 318.240 2.475 0 40 DEAB CCOc1ccccc1-c1nccn1C[C@H]1CN(C)CCN1C 82091437 ZRLMPCUMBZSZTH-OAHLLOKOSA-N 314.433 2.195 0 40 DEAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ncoc1C(C)C 195530876 WJOZJMWSUZJZMI-YFKTTZPYSA-N 306.362 2.116 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)c2c(F)cccc2F)n1 224186004 QYNAOVSJWHYUTR-UHFFFAOYSA-N 306.316 2.059 0 40 DEAB CC[C@@]1(C)CN(C(=O)Nc2ccc([S@@](C)=O)cc2)CCO1 190016167 UKLYVSBGGZKDCB-YCRPNKLZSA-N 310.419 2.457 0 40 DEAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 96058335 AXHHTJLTHGYHPA-JYJNAYRXSA-N 308.447 2.057 0 40 DEAB Cc1ccc([C@H]2CCCCCN2C[C@H](O)CN2CCOCC2)o1 96415757 WWNXSDQFHXHFJB-IAGOWNOFSA-N 322.449 2.198 0 40 DEAB c1ccc(-n2nnnc2COc2cccc(-n3ccnc3)c2)cc1 96447952 MIRJOOFUKZGDFS-UHFFFAOYSA-N 318.340 2.427 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCc2cccnc2N(C)C)C1(C)C 96415224 UALTYOBOAWJBCS-ZIAGYGMSSA-N 320.437 2.150 0 40 DEAB Cc1ccc(CN2CCc3[nH]nc(C(=O)N(C)C)c3C2)s1 96187379 STSGNBNFSGLRCW-UHFFFAOYSA-N 304.419 2.040 0 40 DEAB O=S(=O)(C[C@@H]1CCCCN1)c1ccc(Br)cc1 95908568 WGDOWJROEUCTKV-NSHDSACASA-N 318.236 2.365 0 40 DEAB Cc1cc(CN2CC3(C[C@@H](OCC4CC4)CS3)C2)n(C)n1 248032208 LMGIUISCNKVWFW-OAHLLOKOSA-N 307.463 2.215 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257294816 QVVSNYJXSUYWTP-LBPRGKRZSA-N 309.373 2.235 0 40 DEAB CN1C(=O)CO[C@@H]2CCN(Cc3cc4ccccc4s3)C[C@@H]21 257260117 LBJFLMSYKHTPBP-LSDHHAIUSA-N 316.426 2.333 0 40 DEAB CCN(C(=O)CN1C(=O)NC2(CCCCCCC2)C1=O)C1CC1 41702320 HDKGHFFIUJAPOQ-UHFFFAOYSA-N 321.421 2.032 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)n1 257227411 FPDBUQMNRDWLGO-LLVKDONJSA-N 309.366 2.035 0 40 DEAB CN1CCC(c2nccnc2CNC(=O)C2CCCC2)CC1 257269739 MRERSZANKVHDOK-UHFFFAOYSA-N 302.422 2.092 0 40 DEAB CNC(=O)C[C@@H]1OC(C)(C)C[C@]12CCCN2Cc1cc(C)on1 585291667 RHFMIEXPPZXWDO-WMLDXEAASA-N 321.421 2.021 0 40 DEAB CCCc1nnsc1C(=O)N1CCCN(C2CCC2)CC1 823020267 GANATIOQVHBYEH-UHFFFAOYSA-N 308.451 2.191 0 40 DEAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc2c(c1)OCCO2 69736921 YTVVFTIJWFUQFR-UHFFFAOYSA-N 322.324 2.495 0 40 DEAB CC(=O)N[C@H]1CCOC2(CCN(Cc3scnc3C)CC2)C1 1615156250 MJGWUXPZNKSLNU-AWEZNQCLSA-N 323.462 2.101 0 40 DEAB COc1cccc(/C=C(/Sc2nc(C)n[nH]2)C(=O)O)c1OC 1253013 RYKVXXZZFJKTHX-YRNVUSSQSA-N 321.358 2.348 0 40 DEAB Cc1cc(O[C@H](C)C(=O)N2CCN(C=O)CC2)cc(C)c1Cl 13596095 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Cn1nnnc1-c1cccc(NC(=O)c2ccc[nH]c2=S)c1 14519487 KMXGWWRUCAPRAW-UHFFFAOYSA-N 312.358 2.187 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(C(=O)CCF)C3)CC2=O)cc1 1614929591 KTUBYCZTENABCP-QGZVFWFLSA-N 304.365 2.310 0 40 DEAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)CC3(O)CCC3)C[C@@H]21 1565544821 RLIBVJNVCIFFIF-GXTWGEPZSA-N 315.417 2.003 0 40 DEAB Cc1cc(C(=O)NCc2nccnc2-c2cccs2)no1 575619269 BVSLFXQJVSXFHE-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB CSc1ccc(C(=O)N2CC(Nc3ncccn3)C2)cc1 238944004 WGJHENMKSCGHGF-UHFFFAOYSA-N 300.387 2.135 0 40 DEAB O=C1[C@H]2N=NN(Cc3cccc(F)c3)[C@@H]2C(=O)N1c1ccccc1 101417229 ADHUWDJTSRIUFR-GJZGRUSLSA-N 324.315 2.319 0 40 DEAB O=C(N/C(=C\c1cccnc1)C(=O)N1CCCC1)c1ccco1 1823732 IPVPOPVNBFVXMF-KAMYIIQDSA-N 311.341 2.068 0 40 DEAB C[C@]1(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC1(Cl)Cl 50445821 KOZRSNJVYDOUNW-TVQRCGJNSA-N 319.232 2.088 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)Cc1ccsc1 31492580 AHWZJPUZWQUZRZ-UHFFFAOYSA-N 303.343 2.158 0 40 DEAB NC(=O)c1ccccc1OCC(=O)Nc1cccc2ncccc12 31638424 CWTVYRZLSLLFGT-UHFFFAOYSA-N 321.336 2.351 0 40 DEAB CSc1nnc2c3cnn(-c4ccc(F)cc4)c3ncn12 541273 JHEMWPUJNLZMKN-UHFFFAOYSA-N 300.322 2.324 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)n(C)n1 45975353 ADDGFTOTASVIOM-CYBMUJFWSA-N 301.394 2.375 0 40 DEAB Nc1cc(C(=O)O)ccc1Oc1cc(C(=O)O)cc(C(=O)O)c1 69476412 QMXHMQKFNBAXTB-UHFFFAOYSA-N 317.253 2.156 0 40 DEAB O=C(COc1ccccc1)NCc1ccccc1Cn1cncn1 32818630 ISNOSSPSGKJTPW-UHFFFAOYSA-N 322.368 2.022 0 40 DEAB COc1c2c(c(OC)c3occc13)O[C@@](O)(C(F)F)CC2=O 485617 SGBOMOZXKGIRBM-CQSZACIVSA-N 314.240 2.369 0 40 DEAB biogenic NC(=O)[C@H](NC(=O)COc1ccccc1Cl)c1ccccc1 12050923 KLYFXIFXGDRMIB-OAHLLOKOSA-N 318.760 2.062 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cccc(C)c1)CC2 89986459 ZKSYEXKXVCHUPP-JKSUJKDBSA-N 303.402 2.387 0 40 DEAB COc1ccc(CC(=O)OCC(=O)N2CCC[C@H](C)C2)cc1 8036741 OVVZUFXTZZZGRF-ZDUSSCGKSA-N 305.374 2.039 0 40 DEAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccco1 21935977 DAEZAWIQMHDEJW-UHFFFAOYSA-N 300.358 2.042 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1O 33594195 IVZHMFKVMIXLCP-UHFFFAOYSA-N 313.356 2.041 0 40 DEAB Cc1ccc(CC(=O)N2CCC(c3nc(C)no3)CC2)cn1 53448157 VZTFDRSYLRHHJV-UHFFFAOYSA-N 300.362 2.030 0 40 DEAB C[C@@H](NC[C@H]1CCOC1)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217936 YQQKMVQVOIJPHO-VXGBXAGGSA-N 318.421 2.420 0 40 DEAB Cc1cc(C)cc(OC[C@@H](O)Cn2ncc3ccccc3c2=O)c1 42756010 OYQKLUKDKMTSGV-INIZCTEOSA-N 324.380 2.453 0 40 DEAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 22130808 OMZNUMWVHKYGTM-CQSZACIVSA-N 323.868 2.371 0 40 DEAB O=C(NC[C@@H]1CCCO1)N1CCCN(Cc2cccs2)CC1 42864147 BVHQJMFFKFDDCJ-AWEZNQCLSA-N 323.462 2.144 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cnn(C)c(=O)c1Cl 105795517 WRRZZRJMHFUCGM-NSHDSACASA-N 321.812 2.126 0 40 DEAB Cc1c([C@H](C)NC(=O)c2cncc(Br)c2)cnn1C 25006343 RBSPRMBBCMULDB-QMMMGPOBSA-N 323.194 2.377 0 40 DEAB COCc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1 25248159 OVEDSDANPREVSM-UHFFFAOYSA-N 318.417 2.210 0 40 DEAB CCN1C[C@@H](C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)CC1=O 55999903 OOASPGBOJHVFOJ-GOEBONIOSA-N 318.392 2.228 0 40 DEAB O=C(c1cc(F)cc(F)c1)N1CCC(O)(C(F)(F)F)CC1 89950093 TXFYZOHCIYGWFQ-UHFFFAOYSA-N 309.234 2.494 0 40 DEAB CNC(=O)[C@@H](C)OC(=O)c1ccc(COc2ccc(F)cc2)o1 26429493 FAXAFTROTPJPNQ-SNVBAGLBSA-N 321.304 2.289 0 40 DEAB CCc1nc(C)c([C@H](C)N(C)CCS(=O)(=O)CC)s1 76040352 JYYSPKRCTCKIJF-NSHDSACASA-N 304.481 2.441 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)[C@H](C)CO1 45449465 FTNMOQWBXVIGHU-NXEZZACHSA-N 318.295 2.272 0 40 DEAB CC(C)NC(=O)[C@H](C)OC(=O)/C=C/c1nc2ccccc2o1 12859867 NQUQUGYOYCNBAB-FBOQAHMBSA-N 302.330 2.297 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cccc(COC)c2)C1 48466996 DWNGGZHUFAECRH-HNNXBMFYSA-N 320.389 2.184 0 40 DEAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccncc2)C1=O 17586169 MLMQELZQVKABFN-GFCCVEGCSA-N 311.341 2.224 0 40 DEAB CCCSCC(=O)N[C@H](c1ccccc1)c1n[nH]c(C)n1 69892396 GURJLFLCSVZWPU-CQSZACIVSA-N 304.419 2.462 0 40 DEAB O=C(CSC[C@H](O)c1ccccc1)NCc1ccccn1 69808415 FWKDEBCSDCGHDA-HNNXBMFYSA-N 302.399 2.165 0 40 DEAB COc1ccc(CN(Cn2nc3ccccn3c2=O)C2CC2)cc1 14138128 KDWZPZBLZNUWBE-UHFFFAOYSA-N 324.384 2.127 0 40 DEAB O=c1cc(CN2CCOc3ccccc3C2)nc2ccccn12 65615200 HUTKVGGGBOBJDK-UHFFFAOYSA-N 307.353 2.089 0 40 DEAB CCNC(=O)c1cccc(NC(=O)Cc2c(C)noc2C)c1 15024673 JIUKAZMZXJISOW-UHFFFAOYSA-N 301.346 2.222 0 40 DEAB O=C1c2cccn2C[C@@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1 8861941 PYXCABGPCXIUPQ-IEBWSBKVSA-N 319.384 2.370 0 40 DEAB CCOC(=O)CS(=O)(=O)c1ccc(Br)c(C)c1 67172624 SEHNBYPRUWOSLN-UHFFFAOYSA-N 321.192 2.094 0 40 DEAB CC(=O)Nc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 15539103 IZAGNTPWJNSIBV-UHFFFAOYSA-N 310.313 2.067 0 40 DEAB Cc1ccc(NC(=O)CN(C)CC(=O)NC2CCCCC2)cc1 7623539 HUDQQXNORMNTFW-UHFFFAOYSA-N 317.433 2.314 0 40 DEAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1ccc(=O)[nH]c1 16045314 UOBKLGUAPSWYNA-UHFFFAOYSA-N 308.284 2.249 0 40 DEAB Cc1oc(C)c(C(=O)Nc2nnc(C)n2C)c1Br 96010874 WJFVNEHSOUMRGZ-UHFFFAOYSA-N 313.155 2.348 0 40 DEAB Brc1cccc(-c2noc(CN3CCOCC3)n2)c1 16334841 FITOPGOAIBGMJD-UHFFFAOYSA-N 324.178 2.331 0 40 DEAB CS(=O)(=O)CCn1nc(-c2ccc3c(c2)CCC3)[nH]c1=S 78938949 WQVJCWKEMUNPQY-UHFFFAOYSA-N 323.443 2.141 0 40 DEAB COCCC(=O)Nc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1 96413841 SMIBGKZXGZDZJB-KBPBESRZSA-N 306.406 2.271 0 40 DEAB O=C(NC[C@@H]1CCCO1)Nc1cc(F)ccc1-n1cccn1 71883778 DVOUXNLLHKSKMA-LBPRGKRZSA-N 304.325 2.312 0 40 DEAB CCn1c(CNC(=O)/C=C/c2ccc(F)cc2)n[nH]c1=S 71846989 UGILCCAURBEKDT-VMPITWQZSA-N 306.366 2.429 0 40 DEAB C[C@H](O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1 71825328 ZYJIMONDSLRCOM-AWEZNQCLSA-N 312.417 2.420 0 40 DEAB O=C(c1ccc(Cl)s1)N1CCC(N2CCNC2=O)CC1 71817073 BHXCIXRCBSBBQI-UHFFFAOYSA-N 313.810 2.031 0 40 DEAB CCCn1c(SC[C@H]2OCCc3ccccc32)n[nH]c1=O 71908486 JPTWBHDQESOYAA-CYBMUJFWSA-N 305.403 2.388 0 40 DEAB O=C(CN1CSCC1=O)NCCC12CC3CC(CC(C3)C1)C2 27629315 NBHHLVYXIHRAHL-UHFFFAOYSA-N 322.474 2.242 0 40 DEAB O=C([C@H]1CSc2ccccc21)N1CCC[C@H](n2cncn2)C1 72287883 SAWUVWIBMYRAFH-JSGCOSHPSA-N 314.414 2.331 0 40 DEAB COc1c(NC(=O)NC[C@@H](C)c2nc(C)cs2)c(C)nn1C 97113569 DPJGIFXGLZAZPI-MRVPVSSYSA-N 323.422 2.427 0 40 DEAB NC(=O)[C@@H](NC(=O)c1cc2ccccn2c1)c1ccc(F)cc1 97147412 PAPWJMHVHBOALA-HNNXBMFYSA-N 311.316 2.035 0 40 DEAB C[C@H](Sc1n[nH]c(N)n1)c1nc(Cc2ccc(F)cc2)no1 79072689 ZQDYPBOWJOOLNN-ZETCQYMHSA-N 320.353 2.353 0 40 DEAB COc1cccc(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 95452008 MOKGFKSFOUASCR-OAHLLOKOSA-N 315.373 2.249 0 40 DEAB CC(C)(C(=O)N[C@H]1CCN(C2CCOCC2)C1=O)C1CCCC1 95441310 HRELDVUKFKIANA-HNNXBMFYSA-N 322.449 2.099 0 40 DEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NCCCCn1ccnc1 98014423 HRZILXURUWXWLU-ZNMIVQPWSA-N 320.437 2.166 0 40 DEAB CC(C)CN(C)S(=O)(=O)N[C@H](C)c1ccc(F)c(F)c1 95993824 OKBGRLRKEUOKSU-SNVBAGLBSA-N 306.378 2.448 0 40 DEAB CCOCCOCC(=O)Nc1cnc(N2CCCCC2)c(C)c1 95993487 IFKLOVNIYJSWEY-UHFFFAOYSA-N 321.421 2.372 0 40 DEAB CC[C@H](C(=O)Nc1cc(C2CC2)nc(C)n1)N1CCCC1=O 95991399 WCBLUUBBONREOS-CYBMUJFWSA-N 302.378 2.002 0 40 DEAB CN(C)C1CCN(CCN[C@@H]2CCc3ccc(F)cc32)CC1 95968942 HMYGFWJZYOUHTE-GOSISDBHSA-N 305.441 2.429 0 40 DEAB CC(C)[C@H]1CN(C)CCN1C(=O)CSCc1cccnc1 75143262 NJGJAGMIMZCOFV-OAHLLOKOSA-N 307.463 2.113 0 40 DEAB Cc1ccccc1CN1CCC[C@@H](C(=O)N2CCOCC2)C1 38832720 SFDALAUWYNQULA-QGZVFWFLSA-N 302.418 2.066 0 40 DEAB C[C@@H](CNC(=O)C(=O)NCCc1ccccc1)c1ccccc1 408707344 NEXPWDFOTUJCMC-HNNXBMFYSA-N 310.397 2.265 0 40 DEAB O=C(NC[C@H](O)c1ccsc1)c1cc(=O)c2ccccc2o1 56906289 CYRGJTLRULRAPE-ZDUSSCGKSA-N 315.350 2.318 0 40 DEAB O=C(O)c1ccc(-c2ccc([C@@H]3NC[C@@H](C(=O)O)S3)o2)cc1 408980747 XBIFKUWZXYWJIJ-QWHCGFSZSA-N 319.338 2.433 0 40 DEAB COc1ccc(CCNc2ccc3nnc(C)n3n2)cc1OC 32093181 DRMVVMMMXQUKFB-UHFFFAOYSA-N 313.361 2.105 0 40 DEAB CON1CCC(C(=O)N[C@H]2CCCOc3ccccc32)CC1 521396304 KNLVRIPBFDOCIL-HNNXBMFYSA-N 304.390 2.290 0 40 DEAB Cc1ccc(-c2nn(C)cc2C(=O)N[C@@H]2COC(C)(C)C2)o1 529520134 SEMHDHIIGKKYSG-NSHDSACASA-N 303.362 2.286 0 40 DEAB CCOC(=O)C1CCN(C(=O)[C@@H](OC)c2ccccc2)CC1 78436804 IVECSXMTVGYDBC-HNNXBMFYSA-N 305.374 2.176 0 40 DEAB CSc1ccc(N2CCN(C(=O)CC3CCCC3)CC2)nn1 79052370 VCBBDHUTESEJQS-UHFFFAOYSA-N 320.462 2.427 0 40 DEAB O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)COc1ccccc1 72265559 IZUPNTFSLGOKMC-BPLDGKMQSA-N 303.358 2.310 0 40 DEAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CN)n2)n1 72382972 AUGLQYRMLZXOJJ-LBPRGKRZSA-N 317.418 2.212 0 40 DEAB COc1ccc([C@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218113680 NJLMFCVZIITXAR-YESZJQIVSA-N 317.410 2.271 0 40 DEAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCCN2C(C)C)c[nH]1 75503298 KTRUJCKDIJLWSM-CQSZACIVSA-N 307.394 2.393 0 40 DEAB CCc1c(C)nc(N)n2c(SCc3cccnc3)nnc12 35316063 CPNQZMWIDZFPGE-UHFFFAOYSA-N 300.391 2.265 0 40 DEAB Cc1cc(NC(=O)CCN(C)Cc2nccn2C(F)F)no1 71951935 QRKMVKOBGSPDCR-UHFFFAOYSA-N 313.308 2.035 0 40 DEAB CCS(=O)(=O)CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 46138077 JFYSNBNKMXNBPM-UWJCENJNSA-N 313.463 2.142 0 40 DEAB CC(C)c1nnc(CN2CCC[C@H]2C(=O)Nc2nccs2)o1 79311639 NKQMIHKCYLFLRD-JTQLQIEISA-N 321.406 2.253 0 40 DEAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@@H](Oc2cnccn2)C1 225794611 SIOFJUNOFCEOSV-CQSZACIVSA-N 308.341 2.251 0 40 DEAB COc1cc(C(=O)NCc2cccnc2)n(-c2ccccc2)n1 227162402 XKIFIKWSZZTQFL-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CN1CCO[C@H](C(=O)Nc2cccc(NC3CCCC3)c2)C1 85523799 OHUWEIPUYPVMPH-INIZCTEOSA-N 303.406 2.310 0 40 DEAB COc1ccc2c(ccn2CC(=O)N[C@H](CC(C)C)C(=O)O)c1 98038003 PBRWFEIWPOUCFN-CQSZACIVSA-N 318.373 2.265 0 40 DEAB COCCc1nsc(N(C)Cc2ccc3c(c2)OCCO3)n1 530695235 DENHAUSMZITFGT-UHFFFAOYSA-N 321.402 2.135 0 40 DEAB Cc1noc(C)c1CN1CC[C@H]2[C@@H]1CCN2CC1CCOCC1 96184433 JYBBKNRVHOJWIE-ROUUACIJSA-N 319.449 2.367 0 40 DEAB CCc1oc(C(=O)OC)cc1Cn1cnc2sccc2c1=O 96455503 DIIGARNCFAJODQ-UHFFFAOYSA-N 318.354 2.448 0 40 DEAB O=C(NC1CCC1)[C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 96038876 QQPQWVLRSBAZTG-ARFHVFGLSA-N 320.458 2.254 0 40 DEAB COc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1 96053996 SSFPKVYRMINHME-HZPDHXFCSA-N 310.401 2.053 0 40 DEAB O=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccoc3)CC2)N1 96199697 HZLOSKFTSKVIDQ-INIZCTEOSA-N 311.385 2.313 0 40 DEAB CN1CCC2(CC1)C[C@H](COCC1CC1)N(c1ncccn1)C2 96219238 YOZVCDIQCKBCPG-MRXNPFEDSA-N 316.449 2.194 0 40 DEAB O=C(CN1CCC[C@H]1CCCO)NCc1ccc(Cl)s1 96424260 KVOSWKLHYVTHBL-NSHDSACASA-N 316.854 2.255 0 40 DEAB COCc1nc2n(n1)C[C@H](NC[C@H]1C(C)=CCC[C@@H]1C)CC2 97098919 HOSAAMJLDIMNTJ-ZNMIVQPWSA-N 304.438 2.321 0 40 DEAB NCc1cnn(-c2ccccc2C(=O)NCc2ccccc2)c1 257303780 SIRSQCAYULCBQD-UHFFFAOYSA-N 306.369 2.261 0 40 DEAB CCOC(=O)CN(C(=O)[C@H]1CCCOC1)c1ccc(C)cc1 252497974 QSQXGRLTBPTXCH-AWEZNQCLSA-N 305.374 2.318 0 40 DEAB COc1cc2c(cc1F)CN(C(=O)c1ccnnc1C)CC2 539723225 AYPVZIMAZNPWOM-UHFFFAOYSA-N 301.321 2.131 0 40 DEAB CC(C)c1nnc(CCC(=O)N2CCC[C@@H]2c2ccncn2)o1 257341160 ZJBQHSSXIFDRME-CYBMUJFWSA-N 315.377 2.279 0 40 DEAB c1cnc(C[C@@H]2CC3(CCN(C4CCOCC4)CC3)CO2)cn1 257290446 QCZJRSWGYQQSQQ-QGZVFWFLSA-N 317.433 2.069 0 40 DEAB O=S(=O)(NCC[C@H](O)c1ccoc1)c1ccc(Cl)s1 90613098 NNULVJRIRCFVAD-VIFPVBQESA-N 321.807 2.397 0 40 DEAB CC(C)c1nnc(Cn2c(=O)ccn2-c2ccccn2)s1 585098322 OQGNXGGKNSQKII-UHFFFAOYSA-N 301.375 2.057 0 40 DEAB Ic1ccccc1OC1CCNCC1 42782909 GEPONZFYXJHBLP-UHFFFAOYSA-N 303.143 2.422 0 40 DEAB in-vitro CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccco1 12182695 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40 DEAB Cc1cnc(OC[C@H]2CCCN(c3nnc(C)s3)C2)nc1 1776001946 UQZQAGUXLLAPGE-LBPRGKRZSA-N 305.407 2.240 0 40 DEAB CC(C)c1ccc(-n2ccn(C[C@@H]3CCCO3)c(=O)c2=O)cc1 2086968318 GLSAYEUDKGSDFZ-INIZCTEOSA-N 314.385 2.302 0 40 DEAB Cc1ccccc1Cn1cccc(C(=O)Nc2ccon2)c1=O 5269263 DMZRERWPCWQQAQ-UHFFFAOYSA-N 309.325 2.445 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)C3CCCCC3)ccc21 10063768 GTKWDUJNQNLYPG-UHFFFAOYSA-N 308.403 2.280 0 40 DEAB Cc1nc(C)c(C(=O)N2CC(COc3cccnc3)C2)s1 1775968085 ONBMZPBQIFYKOZ-UHFFFAOYSA-N 303.387 2.306 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)C1=Cc2ccccc2CC1)C1CC1 40156739 WLBAWJGXQRIBIC-QGZVFWFLSA-N 320.458 2.233 0 40 DEAB CC(C)(C)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 40489327 HYTXBCOXCZXBFI-MRXNPFEDSA-N 304.434 2.440 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1 40481216 ZZLVIUIHJJMZQS-FXOGGVSJSA-N 312.373 2.270 0 40 DEAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2ccnn2C(C)C)C1 50904215 GAXVMVGSVMTZAA-CYBMUJFWSA-N 306.410 2.297 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)cc2)n2ncnc2N1 147816 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2.431 0 40 DEAB Cn1cc([C@H]2CCCN2CC[S@@](=O)c2ccccc2)cn1 71856527 OOFIWXHGFDTRHJ-IERDGZPVSA-N 303.431 2.365 0 40 DEAB CCN1C[C@@H](CN(C)C(=O)c2ccncc2)Oc2ccccc21 71896576 BCPHGRNMYMSZFN-OAHLLOKOSA-N 311.385 2.441 0 40 DEAB O=C(NCCOCC(F)(F)F)N1CCCC[C@@H]1c1cn[nH]c1 97049180 ZHDBAIXTWFASLJ-LLVKDONJSA-N 320.315 2.225 0 40 DEAB Cc1ccc(N2CCCC2)c(C(=O)N(C)CC(=O)NC(C)C)c1 71909647 FNYRWQDHXVUSLC-UHFFFAOYSA-N 317.433 2.192 0 40 DEAB O=C(NC1CCN(C[C@@H]2CCOC2)CC1)c1ccc(F)c(F)c1 71914462 UHQWVJPVGFCZBI-LBPRGKRZSA-N 324.371 2.196 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)c1noc2c1CCCC2 97144088 INANUDKNQSDPGN-AWEZNQCLSA-N 315.373 2.106 0 40 DEAB COC(=O)[C@@H](C)[C@H](NC(=O)c1cn(C)nc1C)c1ccccc1 79620774 ZXFWCAVGQROWTG-NHYWBVRUSA-N 315.373 2.009 0 40 DEAB C[C@H](NC(=O)NCCC1(C)OCCO1)c1cccc(F)c1F 97115840 BKCKWPHGUHWXIF-JTQLQIEISA-N 314.332 2.478 0 40 DEAB Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N1CCCCCC1 408557041 LVAJZBNNJMZIAC-UHFFFAOYSA-N 324.446 2.262 0 40 DEAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H](C)CN1CCOC1=O 95400162 YUWUGOYWWSVSGH-AEGPPILISA-N 302.374 2.055 0 40 DEAB CC(C)(C)c1nc(I)c2c(N)nccn12 89195595 HRFSFNTVWAKTSW-UHFFFAOYSA-N 316.146 2.214 0 40 DEAB in-vitro CCc1onc(C)c1NC(=O)N[C@H](CO)Cc1ccccc1 89413857 IILKFGRZDUBEHO-ZDUSSCGKSA-N 303.362 2.271 0 40 DEAB Cc1cccc(C(=O)N2CCC(C(N)=O)(c3ccccc3)CC2)n1 75139715 VHDYSAUWZQXXNL-UHFFFAOYSA-N 323.396 2.049 0 40 DEAB Cc1cc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)sn1 89608888 RARXLLGHJBOVPZ-GFCCVEGCSA-N 307.375 2.438 0 40 DEAB Cc1ccnc(N2CCN(C(=O)c3conc3C(C)C)CC2)c1 528844212 INFISFFGKAJZAS-UHFFFAOYSA-N 314.389 2.464 0 40 DEAB CN(C[C@@H]1CCCCN1CCO)C(=O)OCc1ccccc1 79410970 PCLLJSXFTFBYRJ-INIZCTEOSA-N 306.406 2.102 0 40 DEAB O=C(NCC[C@@H](O)C1CCOCC1)c1cc2ccccc2o1 217915925 XGRIUGHGPSAOQH-CQSZACIVSA-N 303.358 2.340 0 40 DEAB CN(C[C@H]1CCCCN1CCN)C(=O)OCc1ccccc1 79411515 IUHUIKLEHJDNTC-MRXNPFEDSA-N 305.422 2.068 0 40 DEAB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 73034463 KSUWGJLLSBNCFC-ZDUSSCGKSA-N 317.433 2.495 0 40 DEAB Cc1noc(C)c1Cc1nn2c(-c3ccccn3)nnc2s1 71286230 IBWIXYVXJZIOHM-UHFFFAOYSA-N 312.358 2.443 0 40 DEAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 77844500 IULCMXBTNGDJIX-SUMWQHHRSA-N 306.406 2.155 0 40 DEAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H]2CCCc3occc32)C1 194898900 OXMCHTZGIVKJOS-LOWVWBTDSA-N 306.362 2.298 0 40 DEAB COc1cc(N2CCC(C)CC2)nc(NC(=S)NC2CC2)n1 226002620 MIIDPTVIADKWSE-UHFFFAOYSA-N 321.450 2.170 0 40 DEAB Cc1noc(C)c1C(=O)N[C@H]1CCCN(c2ccccn2)C1 130774734 ZNMJGANJNSWTLG-ZDUSSCGKSA-N 300.362 2.085 0 40 DEAB O=C(CCn1ncc2ccc(Cl)cc21)NC[C@H]1CCCO1 96181981 GGCDYWGEOSMVTD-CYBMUJFWSA-N 307.781 2.375 0 40 DEAB CC(C)C(=O)N1C[C@@H]2CN(C(=O)N(C)C)C[C@H]2c2ccccc21 96251758 QIVLAVSUTWSPRH-DZGCQCFKSA-N 315.417 2.386 0 40 DEAB O=C(NC1(c2ncon2)CCOCC1)[C@@H]1C[C@H]1C1CCCCC1 97378216 ZMGKSHSGTJUVCY-UONOGXRCSA-N 319.405 2.408 0 40 DEAB CN(Cc1nc(C(=O)O)co1)[C@H]1CCCN(c2ccccc2)C1 577737517 VPHHKUJKVNRAAM-AWEZNQCLSA-N 315.373 2.474 0 40 DEAB Cc1nc(C(C)(C)NCC(=O)NCc2cccnc2)sc1C 96443578 WNERKHKCMHQOPW-UHFFFAOYSA-N 318.446 2.296 0 40 DEAB CN1CCCC[C@@H]1CCSc1nnnn1CC(F)(F)F 330032598 PQSMVHITSUUFEI-SECBINFHSA-N 309.361 2.202 0 40 DEAB CC(C)(NC(=O)CN1CCCNC1=O)c1cccc(Cl)c1 96414507 HLAFSSURZHVFHK-UHFFFAOYSA-N 309.797 2.107 0 40 DEAB Cc1cnn(CCC(=O)N2CCC(F)(c3ccccn3)CC2)c1 580083865 IFCADIMCZPJXPF-UHFFFAOYSA-N 316.380 2.464 0 40 DEAB COc1coc(C(=O)Nc2ccc3occc(=O)c3c2)cc1=O 96221750 YPZJYSVXXLIHDM-UHFFFAOYSA-N 313.265 2.007 0 40 DEAB biogenic Cn1cc(CN2CCC3(CC2)C[C@H](OCC2CCC2)CO3)cn1 96106952 XYOUJKFEXQWXFX-KRWDZBQOSA-N 319.449 2.360 0 40 DEAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccccn2)n1 96055765 NOWWFJYTRWGINQ-ZWKOTPCHSA-N 322.412 2.160 0 40 DEAB Cc1ccc(N[C@@H]2CN(C3CCC3)C[C@@H]3CCCO[C@@H]32)nn1 97953523 UXQSSKPBHKGONS-LXZKKBNFSA-N 302.422 2.229 0 40 DEAB CC1CCN(c2nn(-c3ccc(F)cc3)nc2C(=O)O)CC1 256046205 DLPWAHLHGKRZAL-UHFFFAOYSA-N 304.325 2.341 0 40 DEAB CN(C)c1nccnc1C[C@@H]1CCCN(C(=O)CC2CC2)C1 257278779 ODQSIHKOZAUBIJ-AWEZNQCLSA-N 302.422 2.124 0 40 DEAB CO[C@H]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@]12CCCO2 257289072 PWWHLPQNCFGUBD-ROUUACIJSA-N 319.401 2.228 0 40 DEAB COC(=O)[C@@H]1CCn2c(COc3cc(C)cc(C)c3)nnc2C1 601045558 YEWUHKKERZJKMX-CYBMUJFWSA-N 315.373 2.209 0 40 DEAB O=C(O)C1(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 262155141 BIJZCGFTNIYEPA-UHFFFAOYSA-N 303.236 2.431 0 40 DEAB CCCC(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575402568 CLQYSSLFLNXCDX-AWEZNQCLSA-N 306.431 2.485 0 40 DEAB O=C(c1ccnc(F)c1)N1CC[C@]2(CCCN2CC2CC2)C1 585099702 YOPMZCNTXNDSKU-QGZVFWFLSA-N 303.381 2.311 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CC(n2cc(C3CC3)nn2)C1 585149179 OUISDJVOBXEBDG-UHFFFAOYSA-N 318.327 2.060 0 40 DEAB COCCn1cc(NC(=O)Nc2ccnn2CC(C)C)cn1 68270562 OLIYVMXIELGBLA-UHFFFAOYSA-N 306.370 2.026 0 40 DEAB CS[C@@H]1CCC[C@H]1NC(=O)N(CCO)Cc1ccccc1 83990494 CIZNGNGWOYYYOB-HUUCEWRRSA-N 308.447 2.475 0 40 DEAB COc1ccccc1NC(=O)CSc1nc(C)c(C)c(=O)[nH]1 5155202 UIZUOMZYVQLMEI-UHFFFAOYSA-N 319.386 2.126 0 40 DEAB Cc1cc(O[C@@H](C)C(=O)N2CCN(C=O)CC2)cc(C)c1Cl 13596099 FXUHFABJXJBLAY-ZDUSSCGKSA-N 324.808 2.025 0 40 DEAB CN(CCCNC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1cccc(F)c1 108349609 JQJIBXONRLTFBB-OWCLPIDISA-N 306.381 2.336 0 40 DEAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(F)cc1 20119723 ZNBLCJOCEVLGRL-UHFFFAOYSA-N 300.333 2.344 0 40 DEAB CCOc1ccccc1NC(=O)c1ccccc1OCC(N)=O 21742116 NQWBESRELGNKKO-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C(=O)CC2CC2)CC1 1068634610 NMIWZWUNJUXROQ-UHFFFAOYSA-N 308.813 2.357 0 40 DEAB CCCS(=O)(=O)N1CCC(c2nnc(C3CC3)s2)CC1 38666633 GLOUPDBCBBCJNY-UHFFFAOYSA-N 315.464 2.335 0 40 DEAB Cc1oc2c(c1C(=O)N1CCO[C@H](c3cc[nH]n3)C1)CCCC2 2037928586 XWIFHPFVKMFECG-HNNXBMFYSA-N 315.373 2.404 0 40 DEAB O=C(NCc1cccs1)N[C@@H]1CC(=O)N(c2ccccc2)C1 4359874 XQNYUSNHHKJJKU-GFCCVEGCSA-N 315.398 2.353 0 40 DEAB CCOC(=O)N1CCN(C(=O)Nc2c[nH]c3ccccc23)CC1 5299824 FLOWVOCBKUPJOC-UHFFFAOYSA-N 316.361 2.474 0 40 DEAB COc1ccc(CCC(=O)NC[C@@H]2COC3(CCCC3)O2)cc1 10220471 RFTMGUNRUUPIMN-MRXNPFEDSA-N 319.401 2.430 0 40 DEAB COc1cccc(CN2CCc3ncc(CN(C)C)n3CC2)c1 2055772740 VZUFAQFMDRYNST-UHFFFAOYSA-N 314.433 2.012 0 40 DEAB C=CC(=O)N1CCC(c2nccnc2Nc2ncccc2C)CC1 585293067 VYHKWJCXGASLRA-UHFFFAOYSA-N 323.400 2.816 0 40 DEAB CN(CC1CCC1)c1ncnc2c1ncn2C[C@H]1CCCO1 2298048298 ODVBRMHVIOSYFS-CYBMUJFWSA-N 301.394 2.242 0 40 DEAB CCOC(=O)N[C@@](Oc1ccccc1)(C(=O)OC)C(F)(F)F 2306031 KRRNAGZLSAMUNI-GFCCVEGCSA-N 321.251 2.243 0 40 DEAB C[C@H](C(=O)NC1CCCC1)N(C)Cc1ccc2c(c1)OCCO2 40460765 SIPPVSDAIVRNQJ-CYBMUJFWSA-N 318.417 2.337 0 40 DEAB O=C(CCc1nc2ccccc2s1)N[C@H]1CCCCNC1=O 40521746 IMCTWAWIICFZSU-LBPRGKRZSA-N 317.414 2.014 0 40 DEAB O=c1c(OCc2ccccc2)c[nH]c(CO)c1Br 40564681 PVZXXDSYWBIVEG-UHFFFAOYSA-N 310.147 2.209 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)Nc1nncs1)CC2 40525223 MQVWROXZSLDZLE-UHFFFAOYSA-N 320.374 2.146 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 269960 LFNNZDWBAJEGJE-VXGBXAGGSA-N 313.419 2.370 0 40 DEAB O=C(c1cccc(F)c1)N1CCN(C(=O)c2ccco2)CC1 224581 KQECTNOWGXGKJT-UHFFFAOYSA-N 302.305 2.017 0 40 DEAB Cn1c(SCc2ccc(Br)cc2)n[nH]c1=O 32672297 SEPNJAWTTPOCOI-UHFFFAOYSA-N 300.181 2.163 0 40 DEAB C[C@H]1C(=O)N(CC(=O)OC(C)(C)C)C(=O)N1c1ccc(F)cc1 21267949 JIYAAEVPEJENQF-JTQLQIEISA-N 322.336 2.325 0 40 DEAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(OC)c1 4164269 IWHIYJSPCDXHFO-QPNXVFALSA-N 319.357 2.389 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)NCCC(C)C)C2)n1 4968021 AUFMYYBGSQSWRL-OAHLLOKOSA-N 304.438 2.472 0 40 DEAB CN(C)c1ccc(N2C(=O)c3ccccc3S2(=O)=O)cc1 6356925 RYZCZGVBHBGWBF-UHFFFAOYSA-N 302.355 2.102 0 40 DEAB Cc1ccccc1NS(=O)(=O)c1cc(C(N)=O)sc1C 6659112 QGFQONUIBQXIRJ-UHFFFAOYSA-N 310.400 2.265 0 40 DEAB CN1Cc2cc(C(=O)c3cc(F)ccc3O)cnc2NC1=O 2616091 KFHLQTPYGINTSX-UHFFFAOYSA-N 301.277 2.135 0 40 DEAB Cc1cc(N2CCN(Cc3c(C)noc3C)CC2)nc(C)n1 32923451 SSKTULNVTUYUSY-UHFFFAOYSA-N 301.394 2.020 0 40 DEAB Cc1c(C(=O)NC[C@@H]2CCOC2)cnn1-c1ccc(F)cc1 41367169 VBQJAIBMZSSZCL-LBPRGKRZSA-N 303.337 2.086 0 40 DEAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](C(=O)O)C1 41543261 JDQPRLKFKXTIPF-NSHDSACASA-N 309.337 2.306 0 40 DEAB O=C(c1ccccc1O)N1CCN(CCc2ccccc2)CC1 53666665 LSRVCISUDBOZKM-UHFFFAOYSA-N 310.397 2.393 0 40 DEAB CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1Cl)C(=O)O 37418127 ZDXOHBGEPBRCQX-SNVBAGLBSA-N 323.773 2.257 0 40 DEAB Cc1ccc2nc(CN(C[C@H]3CCOC3)C3CC3)cc(=O)n2c1 47405745 RYTMXIRPFHLCDS-CQSZACIVSA-N 313.401 2.004 0 40 DEAB COCCOCc1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 47589894 IBJLPCHJZGFLRM-KBPBESRZSA-N 322.405 2.491 0 40 DEAB CCOCCOCc1cccc(NC(=O)N2CCC[C@H](O)C2)c1 47604265 FHEUCJQLMOVEDN-INIZCTEOSA-N 322.405 2.228 0 40 DEAB CC(=O)c1ccc(N2CCN(C(=O)NC(C)C)CC2)c(F)c1 12532862 BUWCKODETROIGN-UHFFFAOYSA-N 307.369 2.268 0 40 DEAB CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)[C@@H]1CCS(=O)(=O)C1 106038356 LNVOMIQFKSLDOD-MCIONIFRSA-N 313.463 2.260 0 40 DEAB Cc1cnc(C(=O)N[C@H]2CCN([C@H](C)c3ccccc3)C2)cn1 106135302 DEKKXAGVKYBSNL-ZBFHGGJFSA-N 310.401 2.350 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)s1 43412398 MWTLZQRGUJENPR-NSHDSACASA-N 321.406 2.398 0 40 DEAB CCOc1ccc([C@H]2CCCN2CC(=O)N[C@H](C)COC)cc1 107083746 RBYLPWMOFMIOKQ-RHSMWYFYSA-N 320.433 2.373 0 40 DEAB Cc1cc(C)cc(C(=O)NCC(=O)OCc2c(C)noc2C)c1 3288978 VSHGJACICJOMQC-UHFFFAOYSA-N 316.357 2.381 0 40 DEAB C[C@H]1CCCCN1c1cc(C(=O)N2CCN(C)C[C@H]2C)ccn1 107581247 KQKXWWTYSWNKHK-LSDHHAIUSA-N 316.449 2.237 0 40 DEAB CNC(=S)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 44386547 KHFZJZDFPYGYQV-UHFFFAOYSA-N 303.431 2.048 0 40 DEAB CCCn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O 3318088 KPWGUSJEECGBGO-UHFFFAOYSA-N 319.430 2.423 0 40 DEAB Cc1nc(COc2ccc(C(=O)NCc3ccncc3)cc2)no1 44894336 XYLZYGQQLHOHLM-UHFFFAOYSA-N 324.340 2.282 0 40 DEAB O[C@@H](CNCc1cccc2c1OCCO2)c1ccccc1F 58264089 BUSXULFNSWYVBT-HNNXBMFYSA-N 303.333 2.420 0 40 DEAB COc1ccc(C(=O)[C@H](C)Sc2nncn2C)cc1OC 58277525 JEFKCJNKQVEUAF-VIFPVBQESA-N 307.375 2.196 0 40 DEAB COc1ccc(CN(C)C(=O)N[C@@H](C)Cn2cccn2)cc1F 44969619 GHQLADOYNPKBEH-LBPRGKRZSA-N 320.368 2.261 0 40 DEAB CCCS(=O)(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 58326111 CRQUTQPYKNVGBO-MRXNPFEDSA-N 310.463 2.228 0 40 DEAB Cc1ccc([C@H](C)NS(=O)(=O)c2ncn(C)c2Cl)o1 27956974 ZJIDHOSCHMHBJP-QMMMGPOBSA-N 303.771 2.014 0 40 DEAB COc1ccc(CCOC(=O)c2n[nH]c(=O)c3ccccc23)cc1 12789169 JTOQLCMJENFHCB-UHFFFAOYSA-N 324.336 2.331 0 40 DEAB CCOC(=O)C1(NC(=O)c2cc(OC)cc(OC)c2)CCCC1 48309695 AHIOBMQOLMUHQD-UHFFFAOYSA-N 321.373 2.310 0 40 DEAB CCn1cc(NC(=O)CCc2ccc(Cl)cc2)c(C(N)=O)n1 28245326 IUGVSOXQJIRLKN-UHFFFAOYSA-N 320.780 2.227 0 40 DEAB CSc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1 12876904 SPKXIHIXTLLOHZ-UHFFFAOYSA-N 319.411 2.323 0 40 DEAB O=C(O)c1ccccc1NC(=O)c1cc(=O)[nH]c2ccccc12 12923953 MIVPBWBQDKFMHH-UHFFFAOYSA-N 308.293 2.479 0 40 DEAB CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)cc1 13171048 WNVXNXUVWSOBHV-RNVIBTMRSA-N 303.358 2.422 0 40 DEAB CC(C)c1nc(CN2CCO[C@@H](Cn3cccn3)C2)cs1 69392620 CJKHALWEZFYRML-CQSZACIVSA-N 306.435 2.364 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)NCCC1=CCCCC1 8344851 YVYXEFVLAXQHHR-UHFFFAOYSA-N 311.385 2.403 0 40 DEAB Cc1nc2n(c1C)CCN([C@@H](C)c1nc3ccccc3c(=O)[nH]1)C2 65478933 WHJJZLHZANZXOS-ZDUSSCGKSA-N 323.400 2.313 0 40 DEAB COc1ccc(OC)c(CNCCNC(=O)c2cccs2)c1 4498107 HISCKCKGZPNPAV-UHFFFAOYSA-N 320.414 2.285 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2CCC[C@H](n3cncn3)C2)c1 65565515 RIZSLHBOZYCLDK-INIZCTEOSA-N 313.405 2.171 0 40 DEAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCC2 65609836 FOZOEUMGFQLSPM-CYBMUJFWSA-N 314.410 2.063 0 40 DEAB Cc1noc([C@H](C)N2CCCC[C@@H]2Cn2nc(C)nc2C)n1 69620748 WENURLXFCYIARA-IINYFYTJSA-N 304.398 2.202 0 40 DEAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccco3)o2)C[C@H](C)O1 4836058 DNSOXNFWNUIHIX-UWVGGRQHSA-N 323.374 2.058 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1ccc(-c2ccsc2)nc1C 71185056 QXBXFLMKVNIVDG-JTQLQIEISA-N 304.371 2.410 0 40 DEAB O=C(NCc1ccc(Br)cc1)NC[C@H]1CCOC1 72270173 FRHGOGPBEYUNPK-LLVKDONJSA-N 313.195 2.285 0 40 DEAB COc1ccc2cc([C@H](C)C(=O)NCCOCCO)ccc2c1 96319049 XDYAXSYDZUYJIS-ZDUSSCGKSA-N 317.385 2.077 0 40 DEAB COCCCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 9668184 PPNQXEZYVBJSCM-YMAMQOFZSA-N 312.454 2.106 0 40 DEAB CCO[C@@H]1C[C@H](Nc2ccc3nnnn3n2)C12CCCCC2 72296184 BSCGZALFQMRDDK-NWDGAFQWSA-N 302.382 2.059 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CCC[C@H]2c2noc(C)n2)n1 76046473 NKEIYGMGFBOTSZ-JTQLQIEISA-N 307.741 2.107 0 40 DEAB O=C(Cc1coc(-c2ccccc2)n1)N[C@H]1CCc2nccn2C1 97197569 UNSZPZBCJLJHJK-AWEZNQCLSA-N 322.368 2.212 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)CN(C)Cc2ccccc2)no1 76046483 VXSFMUPQESXZBZ-OAHLLOKOSA-N 314.389 2.174 0 40 DEAB O=C(c1ccccc1-n1cnc2ccccc2c1=O)n1ccnc1 94992929 AUEKEDNINARFOB-UHFFFAOYSA-N 316.320 2.271 0 40 DEAB O=S(=O)(NCCSC1CCCC1)N1CCCCCC1 78336340 SJKDHEXANGLDRD-UHFFFAOYSA-N 306.497 2.373 0 40 DEAB CNC(=O)c1ccc(C)c(NC(=O)[C@H]2COc3ccccc32)c1 95396614 WXUPQBIBYFSSCA-AWEZNQCLSA-N 310.353 2.469 0 40 DEAB O=C(/C=C/c1cnccn1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 95365060 VENPEZHFOJBLMF-RYIMYRPNSA-N 319.430 2.003 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1(C)C 84668199 ZLFPBQVZSZSEPN-WMLDXEAASA-N 320.437 2.433 0 40 DEAB CCN(C[C@H]1CN([C@H]2C=CCCC2)CCO1)c1cccnn1 84774585 FFXRKBDJICVFBR-HOTGVXAUSA-N 302.422 2.112 0 40 DEAB CCNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2N(C)C)C1 84790988 GZNPBNIOFFPTQO-CYBMUJFWSA-N 318.421 2.133 0 40 DEAB Cc1nncn1-c1cccc(NC(=O)c2[nH]nc3c2CCCC3)c1 95450790 GSVDHEXAOJNHIV-UHFFFAOYSA-N 322.372 2.430 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 68368553 PFAFTNVJDWALAM-OAHLLOKOSA-N 302.418 2.391 0 40 DEAB Cc1cccc(-c2noc(CN3CC[C@H](CN(C)C)C3)n2)c1 95959300 QOAJNYBALNVUNO-CQSZACIVSA-N 300.406 2.429 0 40 DEAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N(CCO)C1CC1 88619999 UROADLMYHSOCIQ-KDOFPFPSSA-N 300.402 2.057 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccccn1)c1ccc2cc[nH]c2c1 79018836 COQNTHSOZAATOJ-ZDUSSCGKSA-N 309.369 2.144 0 40 DEAB CCCCCN(c1ncnc2c1cnn2CC(=O)OC)C(C)C 79061537 OOCHKHHEBHRLOW-UHFFFAOYSA-N 319.409 2.404 0 40 DEAB Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](O)c2ccncc2)c1 89672906 RQFGLQSNSBDANZ-XJKSGUPXSA-N 300.358 2.007 0 40 DEAB O=C(COc1ccc(Br)cc1)Nc1nncs1 21214076 BTXDOXLNWUREOF-UHFFFAOYSA-N 314.164 2.318 0 40 DEAB Cc1csc([C@H](C)NC(=O)N[C@H](CO)Cc2ccccc2)n1 69829187 WZUKHWZFLZQZQQ-JSGCOSHPSA-N 319.430 2.415 0 40 DEAB CC1(C)N=C(C(C)(C)NC(=O)OCc2ccccc2)OC1=O 33802500 YQHDVHOCQLVKDR-UHFFFAOYSA-N 304.346 2.425 0 40 DEAB O=P(Oc1ccccc1)(N1CCCCN1)N1CCCCN1 3851126 HTAOJYLXHSOJIM-UHFFFAOYSA-N 310.338 2.374 0 40 DEAB biogenic Cc1cc(S(=O)(=O)N2CCCCC2)cc2c1NC(=O)C2(C)C 71196025 GEIZPMIBZVZLNW-UHFFFAOYSA-N 322.430 2.399 0 40 DEAB CCN(CC)C(=O)CSc1nc2ccc(C(=O)O)cc2[nH]1 76565740 CBPLNWJWVORBLX-UHFFFAOYSA-N 307.375 2.222 0 40 DEAB COC(=O)c1nn(C)c(C)c1NC(=O)CCCc1ccccc1 72251069 SDYCUIULUHLHAH-UHFFFAOYSA-N 315.373 2.477 0 40 DEAB COc1ccc(Cl)cc1CCNC(=O)N1CCOC[C@@H]1C 79028341 LSSVWYBRCJKYRA-NSHDSACASA-N 312.797 2.321 0 40 DEAB Cc1ccsc1[C@H](O)CNC(=O)[C@H]1COc2ccccc2O1 75155232 KRBIJUIVLDIWKY-BXUZGUMPSA-N 319.382 2.046 0 40 DEAB c1cc(N2CCCC2)ncc1CN1CCCC2(C1)OCCO2 184722371 LIHDHAQJRDREBU-UHFFFAOYSA-N 303.406 2.021 0 40 DEAB CNC(=O)CCN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 75863249 JEJZXYNFDIIIJF-ZDUSSCGKSA-N 309.841 2.155 0 40 DEAB CC[C@H]1c2cc(F)c(F)cc2CCN1c1nccn2nnnc12 521396630 FTOHWXGRAXKQBP-ZDUSSCGKSA-N 316.315 2.311 0 40 DEAB Cn1ncnc1CNC(=O)c1cc(Cl)c2ccccc2c1O 80033907 WRNONCHGEVOFHA-UHFFFAOYSA-N 316.748 2.257 0 40 DEAB Cc1cc([C@H](C)NC(=O)N(C[C@@H](C)O)[C@@H](C)CO)c(C)s1 190288778 QGUNMWMBZIHTHO-UMNHJUIQSA-N 314.451 2.199 0 40 DEAB CC1CCN(Cc2cccc(CNC(=O)[C@H]3CCCN3)c2)CC1 225475104 WMTFKEYOBJMWOA-GOSISDBHSA-N 315.461 2.287 0 40 DEAB Cc1ccccc1OCC(=O)N1CCC2(CC1)OCCCO2 75156623 MEAXCVUUPAZCCP-UHFFFAOYSA-N 305.374 2.129 0 40 DEAB Cc1cc(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)on1 77122523 CANNTKIWGGDMSW-HWKANZROSA-N 300.314 2.084 0 40 DEAB CCc1ccc2occ(C(=O)N(C)CC(=O)NC3CC3)c2c1 225492855 FGKCUKNTOSBKRA-UHFFFAOYSA-N 300.358 2.346 0 40 DEAB O=c1[nH]c(-c2cccc(Br)c2)nc2nccnc12 225733936 FPFBDHKFLZLIEE-UHFFFAOYSA-N 303.119 2.143 0 40 DEAB CCn1cc(S(=O)(=O)N(CC(C)C)c2cccc(O)c2)cn1 96435722 RLVRQDZCBLPUAV-UHFFFAOYSA-N 323.418 2.460 0 40 DEAB CC(C)C(=O)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238780 DFYNFTXSSFQROZ-QGZVFWFLSA-N 304.365 2.437 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccccn2)[C@H]1C(=O)O 96675796 FXGBMHVRXPPJEQ-AAEUAGOBSA-N 306.362 2.334 0 40 DEAB CCO[C@@H]1COC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 96106581 LJOXQLDVFWRHPR-LBPRGKRZSA-N 303.349 2.218 0 40 DEAB C[C@@H](CNC(=O)N[C@H]1CC(C)(C)OC1(C)C)Cn1cccn1 96496825 HFEPNSGMWIMPTB-STQMWFEESA-N 308.426 2.165 0 40 DEAB COc1c(Br)c(C(=O)N2CCCC[C@@H]2C)nn1C 96181039 QHHDYASJDQNKRZ-QMMMGPOBSA-N 316.199 2.206 0 40 DEAB NS(=O)(=O)C[C@H]1CCCN1Cc1cc(Cl)ccc1Cl 96424232 FBJXRJWKAFBTLW-LLVKDONJSA-N 323.245 2.246 0 40 DEAB O=C(/C=C/c1ccccc1)N1CCC2(CC1)OCCC[C@H]2O 257238070 HJLKXDDUWMPNTK-ROJDOSBLSA-N 301.386 2.232 0 40 DEAB Cc1ccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)s1 257244534 ILUBCIGALCFVQJ-UMVBOHGHSA-N 308.447 2.116 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cncs3)C[C@@H]21 257223881 DZIITJYNTFXFBP-VHDGCEQUSA-N 315.446 2.280 0 40 DEAB O=C(NCC(O)(c1cccs1)c1cccs1)[C@@H]1CCOC1 390826693 BEXNIKHFFJTACK-LLVKDONJSA-N 323.439 2.198 0 40 DEAB Cc1cccc(O[C@@H]2CCC[C@H](NCCCN(C)C)[C@H]2O)c1 585289358 QFAHEJXZGRVKAA-RCCFBDPRSA-N 306.450 2.197 0 40 DEAB Cc1n[nH]cc1CNC(=O)C(C)(C)c1ccc2c(c1)OCCO2 69493956 COIDKGDFSMVYSJ-UHFFFAOYSA-N 315.373 2.083 0 40 DEAB FC(F)(F)c1nnc2cc(I)ccn12 98180265 XUXIGCKTYWZEAE-UHFFFAOYSA-N 313.020 2.353 0 40 DEAB COCCC1(CNC(=O)c2cncc(Br)c2)CC1 83898037 WELDLGHKWUVVQH-UHFFFAOYSA-N 313.195 2.391 0 40 DEAB Fc1ccc(-c2noc([C@H]3CNCC34CCOCC4)n2)cc1 85347739 DFJJAUZFTVOKOJ-CYBMUJFWSA-N 303.337 2.359 0 40 DEAB COc1ccc(OC)c2c1cc(C(=O)N[C@H]1CCCOC1)n2C 12148331 IAQFRDOOKJJGTM-NSHDSACASA-N 318.373 2.104 0 40 DEAB COc1cc2cc(CNCc3ccco3)c(=O)[nH]c2cc1OC 13998466 OKBGYXWHKBLNDH-UHFFFAOYSA-N 314.341 2.428 0 40 DEAB NS(=O)(=O)c1ccc(NCc2cccc3[nH]ccc23)cc1 15423623 ATMCGOBYPMKVEE-UHFFFAOYSA-N 301.371 2.427 0 40 DEAB OC/C(Cc1cccc(O)c1)=C(\CO)Cc1cccc(O)c1 17139312 HVNGKDBYVICKKU-NXVVXOECSA-N 300.354 2.164 0 40 DEAB COc1ccc(F)c(CN2CC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 19285207 PLESPRQIFGMIIP-LBPRGKRZSA-N 317.364 2.216 0 40 DEAB CC(C)CC(=O)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19446548 ZUUOGCIIPJAYLL-OAHLLOKOSA-N 302.422 2.222 0 40 DEAB COCc1ccc([C@@H]2CCCN2C(=O)c2c[nH]c(C)cc2=O)o1 161835721 OXYIOYHBJBFRHU-AWEZNQCLSA-N 316.357 2.400 0 40 DEAB Cc1cnc(CN2CCC[C@H](c3ccc4c[nH]nc4n3)C2)cn1 1848353955 VUURYBPTUZJVFW-AWEZNQCLSA-N 308.389 2.436 0 40 DEAB CC(=O)c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 40710611 YVBRFBNRDRVUAF-CYBMUJFWSA-N 307.346 2.410 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)NC[C@@H](O)c1ccoc1 75171854 LYLWCNKCYPCZJM-GFCCVEGCSA-N 315.778 2.253 0 40 DEAB O=C(O)[C@H](Cc1ccco1)[P@@](=O)(O)[C@H](O)c1ccccc1 20025117 QIKJOYDEVZHQDX-JSGCOSHPSA-N 310.242 2.237 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(F)(F)F)C1 40460253 NNZGDAFGAOUQOY-SECBINFHSA-N 312.313 2.254 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2C)C1 40539277 WQCYNHRIRANDHM-HNNXBMFYSA-N 304.390 2.275 0 40 DEAB CC(C)N(CC(=O)Nc1nncs1)C[C@@H]1C[C@H]2C=C[C@H]1C2 101089913 YNVGVBSJVJVMRU-AVGNSLFASA-N 306.435 2.399 0 40 DEAB CCOCCO[C@H](C)C(=O)NCc1ncc(-c2ccccc2)[nH]1 51410625 OWQRUJSCGRUCLW-CYBMUJFWSA-N 317.389 2.135 0 40 DEAB CCOC(=O)c1ccc(NC(=O)Nc2nnc(C)c(C)n2)cc1 1571894 OPMSNLIEZLRGLB-UHFFFAOYSA-N 315.333 2.309 0 40 DEAB COc1ccc(Cc2cc3c(cc2OCC(=O)O)OCO3)cc1 1581554 HQWDQEWHRRLWID-UHFFFAOYSA-N 316.309 2.478 0 40 DEAB CCOC(=O)Cn1nc(C)n(-c2ccc(C(C)C)cc2)c1=O 4072990 PMGXXOLRKSEWCU-UHFFFAOYSA-N 303.362 2.029 0 40 DEAB CCOC(=O)N1CCN(CCCCOc2ccccc2N)CC1 4429344 QBOBDVSFXVJZIG-UHFFFAOYSA-N 321.421 2.202 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)c1cc2cc(C)ccc2nc1C 32854575 KLRHVOGERTYRJR-ZDUSSCGKSA-N 313.401 2.496 0 40 DEAB O=CN[C@H]([S@@](=O)Cc1ccccc1)C(Cl)(Cl)Cl 6061428 FGEGMDFUROQELP-VVVCHXIZSA-N 314.621 2.378 0 40 DEAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@H]2C(=O)NCc1ccccc1 488894 WKYZUPXREABRLY-KBXCAEBGSA-N 317.385 2.194 0 40 DEAB biogenic Nc1nccnc1C(=O)NCc1nc(-c2ccccc2)cs1 41649788 ROABPXQCCNUEHW-UHFFFAOYSA-N 311.370 2.112 0 40 DEAB O=C(Cc1csc(Cc2ccccn2)n1)NCC(F)(F)F 41690265 GLKMPBPIDFIQRX-UHFFFAOYSA-N 315.320 2.350 0 40 DEAB CCOc1cc(C(=O)N2CCOCC2)ccc1OC(F)F 2793381 CGEMZLMKYZRBFX-UHFFFAOYSA-N 301.289 2.159 0 40 DEAB COc1cccc(CO[C@@H](C)C(=O)NCC(C)(C)N(C)C)c1 46744042 XZHYYTNFJMFZAL-ZDUSSCGKSA-N 308.422 2.057 0 40 DEAB CC[C@@H](C)CS(=O)(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 89942240 WFYFCMMTFUMPPL-DOMZBBRYSA-N 316.442 2.394 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)c1 100178841 JJWXQESESDNASB-ZQDZILKHSA-N 323.348 2.175 0 40 DEAB CSC[C@H](CCO)NC(=O)NCc1ccccc1Cl 76019917 JJZFNUPMKJGMTM-NSHDSACASA-N 302.827 2.253 0 40 DEAB O=C(NOCc1ccccc1)[C@H]1CCCN1C(=O)c1ccco1 25286670 WMZZXKSMPOSSGM-CQSZACIVSA-N 314.341 2.132 0 40 DEAB CCOC(=O)c1ccc(NCCNC(=O)c2ccccc2)nc1 25493915 DSMHGSYYLWMZKH-UHFFFAOYSA-N 313.357 2.100 0 40 DEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCC[C@H](C(=O)O)C1)CC2=O 100751762 YOFGYQIZDUGKMQ-GOPGUHFVSA-N 307.390 2.095 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)Cc2ccco2)c1 26881236 JGFWHUUJPZWNOT-LLVKDONJSA-N 307.371 2.392 0 40 DEAB Cc1cc(N(C)CC(=O)NC(C)(C)C)nc(-c2ccncc2)n1 57825697 YSJMOBOTGVYYOM-UHFFFAOYSA-N 313.405 2.198 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)[C@H]2COc3ccccc3O2)no1 44633491 RTLPQMIPQPVKGJ-CZUORRHYSA-N 314.341 2.487 0 40 DEAB COC(=O)N1CCC(NC(=O)NCc2ccc(F)c(C)c2)CC1 58281962 CCPITOLNVYHFGH-UHFFFAOYSA-N 323.368 2.164 0 40 DEAB COc1ccccc1[C@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1 28083352 RLGODUQASAZRGJ-OLZOCXBDSA-N 312.435 2.323 0 40 DEAB Cc1ccc(CS(=O)(=O)c2nnc(CCCCCN)o2)cc1 2204081 ZSFQZLYEEPNFEQ-UHFFFAOYSA-N 323.418 2.023 0 40 DEAB CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@@H]1C(=O)O 37827514 FENGJZIONZTOBP-ZJUUUORDSA-N 312.163 2.128 0 40 DEAB CS(=O)(=O)CCNC(=O)Nc1ccc2c3c(cccc13)CC2 69037090 KPMFAIIJVQHYSJ-UHFFFAOYSA-N 318.398 2.105 0 40 DEAB C[C@@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1 10630667 ARAISGMDEZSJEW-SNVBAGLBSA-N 314.366 2.222 0 40 DEAB COc1ccc([C@H](C)NC(=O)N[C@@H](C)Cn2ccnc2)cc1F 48176740 GPMJNEJSPBBPDZ-RYUDHWBXSA-N 320.368 2.480 0 40 DEAB Cc1cnc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cn1 10956868 LDIFWORQCXAXLX-UHFFFAOYSA-N 310.357 2.473 0 40 DEAB COc1cc(N[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc(OC)c1 3323617 VVZHXXVXEFAKDI-JHJVBQTASA-N 322.405 2.140 0 40 DEAB COc1ncccc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 28837559 CFNOGDKUGLWGSD-AWEZNQCLSA-N 315.373 2.250 0 40 DEAB CCc1nnc(NC(=O)c2cc(-c3cccnc3)on2)s1 45763822 XIKSKXRENDXPNF-UHFFFAOYSA-N 301.331 2.403 0 40 DEAB CC(C)(C)OC(=O)NC1CN([C@@H](C(=O)O)c2ccsc2)C1 66354396 XKMRRKNPQAVIDF-LLVKDONJSA-N 312.391 2.083 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)NCC[C@H](C)c1ccccc1 69381274 IMXJTXGLVCMNGN-JSGCOSHPSA-N 323.462 2.086 0 40 DEAB CN(C(=O)COC(=O)c1[nH]nc2ccccc12)c1ccccc1 6016578 KZMIAOIKZQYAQM-UHFFFAOYSA-N 309.325 2.383 0 40 DEAB CCc1ccc(/C=C/C(=O)Nc2ccc(S(N)(=O)=O)cc2)o1 5032667 GCVBEXZJQXFKFE-JXMROGBWSA-N 320.370 2.141 0 40 DEAB Cc1ccc(NC2CCN(Cc3nnnn3C3CC3)CC2)cc1 69489946 NXEPYBSEQQYAMY-UHFFFAOYSA-N 312.421 2.393 0 40 DEAB NC(=O)CN(C(=O)Cc1cccc2cccnc12)C1CCCC1 65492250 NGIRDPHCUHSHBV-UHFFFAOYSA-N 311.385 2.034 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NCc2cnn(-c3ccccc3)c2)c1 14158967 PARNWQHHJTXXIX-UHFFFAOYSA-N 308.341 2.333 0 40 DEAB C[C@@]1(c2ccsc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 69582408 PERAWHAMGPYKCR-BBRMVZONSA-N 316.382 2.249 0 40 DEAB COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2C)n1 6788634 PXTRABSPTZKEIV-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB Cn1ccnc1SCC(=O)N1N=CC[C@@H]1c1ccccc1 4945102 XXGVFQWDVUTSBR-CYBMUJFWSA-N 300.387 2.472 0 40 DEAB O=C(CCNC(=O)c1ccc(Cl)cc1)NCc1ccccn1 6923542 ASLCLHVKNNEMEN-UHFFFAOYSA-N 317.776 2.171 0 40 DEAB CC(C)(C)CC(=O)N1CCc2c(sc3[nH]cnc(=N)c23)C1 8735514 AEAZNORLBZMLCJ-UHFFFAOYSA-N 304.419 2.425 0 40 DEAB COC[C@H](NC1CCC2(CCNCC2)CC1)c1ccnn1C 67770429 WBIVZXAQUYFTPB-HNNXBMFYSA-N 306.454 2.010 0 40 DEAB C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(-n2ccnc2)cc1 8706500 YQFXQFNEYLNEMA-KBPBESRZSA-N 300.406 2.390 0 40 DEAB O=C(NC[C@@H]1CC1(Cl)Cl)c1cc(=O)[nH]c2ccccc12 16045495 BAHNYZWXDCWXKV-QMMMGPOBSA-N 311.168 2.452 0 40 DEAB Cc1nnnn1-c1ccccc1C(=O)NCc1ccc(F)cc1 71284090 ONLMVSNMICYBMT-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CC(C)n1nnnc1-c1ccc(NC(=O)[C@H]2CCCO2)cc1F 97084785 OXLUORKNQLYMIB-CYBMUJFWSA-N 319.340 2.178 0 40 DEAB Cc1ncsc1C(=O)N[C@@H](C(=O)O)c1ccc(F)c(F)c1 97036668 DINBEMXKHWPBCZ-SNVBAGLBSA-N 312.297 2.285 0 40 DEAB Cc1ccc(SCC(=O)N[C@H](C)CCN2CCOCC2)cc1 72283825 HIWBMMQLUWPYEC-OAHLLOKOSA-N 322.474 2.314 0 40 DEAB CCc1ccc(S(=O)(=O)NCC(C)(C)C[C@@H](C)O)s1 96492630 SFHCWFQWBROGHQ-SNVBAGLBSA-N 305.465 2.386 0 40 DEAB NC(=O)CC1CCN(C(=O)/C=C/c2cccc3cccnc23)CC1 71821014 PGHCILJWIJBLPA-VOTSOKGWSA-N 323.396 2.362 0 40 DEAB NCCCOC1CCN(C(=O)c2ccc(F)c(F)c2F)CC1 97212912 FIQXGWMDYZHHIP-UHFFFAOYSA-N 316.323 2.074 0 40 DEAB COCCc1nsc(N2C[C@H](O)C[C@@H]2C2CCCCC2)n1 95408619 VORWWLLPCMSOQD-CHWSQXEVSA-N 311.451 2.247 0 40 DEAB NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)cn1 95441823 KAADDAYQKAMTJZ-QWRGUYRKSA-N 317.295 2.201 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 24725363 LRKFWOFWKRVWGN-BXUZGUMPSA-N 311.353 2.297 0 40 DEAB Cc1nnc([C@H]2CCCN2Cc2ncn(-c3ccccc3)n2)o1 95983402 MXPUTEXVKQKNNK-CQSZACIVSA-N 310.361 2.296 0 40 DEAB CNC(=O)CN1CCC(N[C@@H]2CC(C)(C)Cc3occc32)CC1 95967275 FJFNYCWJFSNYSY-OAHLLOKOSA-N 319.449 2.093 0 40 DEAB Cn1ccc2c(C(=O)N3CCC[C@@H](c4nc[nH]n4)C3)cccc21 75094515 SUMOEIHTVOSMMG-GFCCVEGCSA-N 309.373 2.316 0 40 DEAB Cc1occc1C(=O)N[C@](C)(COc1ccccc1)C(=O)O 89540624 IWXIWMKKXWGRHE-MRXNPFEDSA-N 303.314 2.240 0 40 DEAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC(=O)NC1CC1 75146573 ZVEYMPZAYCAENQ-CYBMUJFWSA-N 317.433 2.460 0 40 DEAB CCC(=O)N1CC[C@]2(C1)CN(Cc1cccnc1)c1cccnc12 306138984 SMIHCWLDPXKZAN-IBGZPJMESA-N 322.412 2.377 0 40 DEAB C[C@@]12C=C[C@@](CNC(=O)OCc3ccccc3)(CC(=O)C1)O2 3851589 KIIANTVSZAMHOV-SJORKVTESA-N 301.342 2.360 0 40 DEAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H](COc2cc(N)ncn2)C1 79439520 QUEBXGOZUYKBRM-LLVKDONJSA-N 308.382 2.085 0 40 DEAB CS(=O)(=O)Nc1nnc(SCc2ccccc2)s1 186455172 NCTVCPOVWOCWPE-UHFFFAOYSA-N 301.418 2.202 0 40 DEAB CC[C@@H](Sc1nnc(-c2ccc(OC)c(OC)c2)[nH]1)C(=O)O 224975374 BFZIRDFCIDFYRD-LLVKDONJSA-N 323.374 2.444 0 40 DEAB C[C@H]1CN(C(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)C[C@@H](C)O1 222277903 LTTBCGVBZCGEBS-BWACUDIHSA-N 320.364 2.345 0 40 DEAB Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[C@H]1c1ccsc1)C2 530002673 PLGWSDMFXLHVFT-TUKIKUTGSA-N 301.415 2.488 0 40 DEAB O=C(NCCOCc1ccccc1)[C@H]1COc2ccccc2O1 223743875 RKNZVEHKQBDJRG-QGZVFWFLSA-N 313.353 2.159 0 40 DEAB COc1ccc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@@H]23)cc1OC 228936749 VDCNCYYIFCBGAZ-NHYWBVRUSA-N 302.374 2.385 0 40 DEAB COc1cc(N2CCCCC2)nc(NC(=S)NC(C)C)n1 225887488 KCIJCNLQKHOGNW-UHFFFAOYSA-N 309.439 2.170 0 40 DEAB Cc1cccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C(=O)O)c12 195541591 MGMARJKISZHGTI-CQSZACIVSA-N 300.358 2.485 0 40 DEAB CC(C)NC(=O)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225482510 WCPJRNLAROAADV-ZDUSSCGKSA-N 303.362 2.336 0 40 DEAB biogenic,in-vitro COc1ccccc1CNC(=O)NC1CCC2(CC1)OCCO2 43002354 KVSFANMSCSNGKG-UHFFFAOYSA-N 320.389 2.180 0 40 DEAB CS(=O)(=O)CCN1CCc2cc(Cl)cc(Cl)c2C1 84132803 SGEHQJGUZDQDBN-UHFFFAOYSA-N 308.230 2.396 0 40 DEAB C[C@H]1CCCc2nc(S(=O)(=O)N(C)c3ccc(F)cn3)cn21 333177514 PBJYGJBFGVBXNO-JTQLQIEISA-N 324.381 2.140 0 40 DEAB CC[C@H](C)[C@](C)(O)CNC(=O)Cc1c(C)nn(C(F)F)c1C 96437139 ZPIHQRVQEOCTNG-BJOHPYRUSA-N 317.380 2.351 0 40 DEAB CNC(=O)c1cc2c(nc1NC(C)C)CCN(CC(C)C)CC2 96260420 LDBMTBXHVAYZBU-UHFFFAOYSA-N 318.465 2.318 0 40 DEAB C[C@H]1SCCN(C(=O)C2CCN(c3cnccn3)CC2)[C@@H]1C 96411139 WGDQMJBUGOVLAI-CHWSQXEVSA-N 320.462 2.045 0 40 DEAB O=C(NCc1nc(C(=O)O)cs1)c1ccc2[nH]ccc2c1 90932431 OFUXWIBRKZBXGK-UHFFFAOYSA-N 301.327 2.253 0 40 DEAB CCn1ncc2c1[C@@H](COC)CN(C(=O)c1cccc(F)c1)C2 96198331 LJJXYANUFKOKOL-CQSZACIVSA-N 317.364 2.428 0 40 DEAB C[C@@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@@H](C)O1 91921486 MYFLXYLHDPJBBF-ZIAGYGMSSA-N 306.406 2.127 0 40 DEAB COC(=O)Cn1ccc(N[C@H]2CCc3c(F)cc(F)cc32)n1 97103843 XZDANLIHWZGVFF-ZDUSSCGKSA-N 307.300 2.434 0 40 DEAB O=S(=O)(c1ccccc1)N1C[C@@H]2CN(CC3CCCC3)[C@H]2C1 247310152 IDKGSBSNWBEEJM-RDJZCZTQSA-N 320.458 2.182 0 40 DEAB CN1C(=O)CCC[C@H]2CN(C(=O)Cc3cccs3)CC[C@H]21 257291477 QHCJWJVYFMDJFU-GXTWGEPZSA-N 306.431 2.150 0 40 DEAB CC(C)C[C@H](O)CNC(=O)[C@H]1CCN(c2ccccc2)[C@H]1C 252570620 WYYLRDFLCYDOKN-XIRDDKMYSA-N 304.434 2.425 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)Cn2ccccc2=O)o1 42001396 IJSUDDHXEWZRNZ-TZMCWYRMSA-N 300.358 2.223 0 40 DEAB C[C@H]1c2nc(C(=O)NCC3CC3)cn2CCN1C1CCCC1 253591618 PADKWHNBUIMKHR-LBPRGKRZSA-N 302.422 2.342 0 40 DEAB CC(C)(C)C(=O)N1CC[C@H](Cc2cnc(-c3ncc[nH]3)cn2)C1 257220252 DKEPUFBGNGKNMX-GFCCVEGCSA-N 313.405 2.304 0 40 DEAB c1cnc(N2CCC[C@@H]2c2nccnc2Nc2cnccn2)nc1 257281266 OOJHHPWUGFXOPO-GFCCVEGCSA-N 320.360 2.142 0 40 DEAB Cc1noc([C@H]2CCC3(CCN(C(=O)C4(F)CC4)CC3)O2)n1 585113488 QBEZYERNIBDENM-LLVKDONJSA-N 309.341 2.093 0 40 DEAB Cc1cc(CNC(=O)Nc2ccc(C(=O)NC3CC3)cc2)no1 65607331 DXVALGJNNUEGLX-UHFFFAOYSA-N 314.345 2.197 0 40 DEAB COc1cccc(C(=O)N2CCOC[C@H]2c2cccn2C)c1F 97144150 SFCGFIJXXXJOPM-AWEZNQCLSA-N 318.348 2.387 0 40 DEAB CCn1nc(C(=O)Nc2nc(C)cs2)c2ccccc2c1=O 5678298 LTXIUZAQNLOYOO-UHFFFAOYSA-N 314.370 2.434 0 40 DEAB O=C(O)[C@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCNC1 12157321 NTUPJODXLTXQPF-BZNIZROVSA-N 306.337 2.163 0 40 DEAB C[C@@H](NC(=O)C(C)(C)C)c1cc(=O)[nH]c(-c2cccnc2)n1 19458423 LSHIFDNBHFMQHZ-SNVBAGLBSA-N 300.362 2.055 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)Nc1cccc2nsnc12 585149523 CLBWAPZXFHJINX-KCJUWKMLSA-N 318.402 2.038 0 40 DEAB Clc1cnc(N2CCC(COc3ncccn3)CC2)nc1 1888843046 KVAYNSDVTBISGX-UHFFFAOYSA-N 305.769 2.215 0 40 DEAB CCOc1ccc(-n2ccn(CCC(C)C)c(=O)c2=O)cc1 2086992671 ILVPSBUYEGFJST-UHFFFAOYSA-N 302.374 2.444 0 40 DEAB CC(C)(C)c1nccc(N2CCC(C(=O)NC3CC3)CC2)n1 2087121021 QSMAGEBRNPFUEI-UHFFFAOYSA-N 302.422 2.269 0 40 DEAB O=C(Cc1ccccc1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 1565541996 VEANZIZSBWSEJJ-MOPGFXCFSA-N 321.424 2.357 0 40 DEAB CCOC(=O)CS[C@H](C)C(=O)Nc1nnc(C(C)C)s1 4174471 HFVKLENADNTXAH-MRVPVSSYSA-N 317.436 2.285 0 40 DEAB CCn1c(SCC(=O)O)nc2c([nH]c3ccccc32)c1=O 5106590 ZANRHHXFIFXALO-UHFFFAOYSA-N 303.343 2.074 0 40 DEAB Cc1ccc(CNC(=O)Cn2nc(-c3ccco3)ccc2=O)cc1 5387939 GZVLTIUVFZWZAE-UHFFFAOYSA-N 323.352 2.128 0 40 DEAB CCCCCN1CC2=C(C1=O)[C@H](c1ccc(O)cc1)NC(=O)N2 9317374 NIIQHPAIOYEDKQ-HNNXBMFYSA-N 315.373 2.033 0 40 DEAB CSc1ccc([C@H](O)CNc2cc(C)nc3ncnn23)cc1 1775972660 PZPISAWFHNOTIJ-CYBMUJFWSA-N 315.402 2.300 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)[C@@H]1CCOC1 575611330 UTENDKHFFQQDOZ-ZYHUDNBSSA-N 307.371 2.194 0 40 DEAB CN1CCc2cc([C@H](O)CNC(=O)/C=C/c3ccco3)ccc21 96362166 QIFQMVDONUKJCJ-QQOXCAACSA-N 312.369 2.135 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1nc2ccccc2s1 31815433 LMBWCTMUDBICCO-UHFFFAOYSA-N 300.299 2.037 0 40 DEAB C[C@H](OC[C@H]1CCCO1)C(=O)N(C)C1Cc2ccccc2C1 69484340 OYCCRQOOVDWVAS-SUMWQHHRSA-N 303.402 2.196 0 40 DEAB COc1cccc(OC)c1OC[C@@H](O)CN1CCCC[C@@H]1C 3893507 CLFCNMVBIRZSGE-KBPBESRZSA-N 309.406 2.318 0 40 DEAB C[C@@H]1C[C@H](OC(=O)CCc2nc3ccccc3s2)C(=O)O1 32736365 BTQAXBROXWBDKE-KOLCDFICSA-N 305.355 2.476 0 40 DEAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC(C)(C)C 4982269 WDUPWHRCOTUUKS-NSHDSACASA-N 303.358 2.309 0 40 DEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 6948545 BUOUZCFYDBQDCZ-WQLSENKSSA-N 322.386 2.493 0 40 DEAB CNCc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 7540615 IPQYCHFHONEMFQ-UHFFFAOYSA-N 303.314 2.239 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1c1cccnc1 21759868 UYXCPYHHDWPXCY-CYBMUJFWSA-N 307.375 2.212 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C 8339602 YULZLUPPXFZKSZ-KGLIPLIRSA-N 319.405 2.145 0 40 DEAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1O 8855599 VAAICOHOBAYSMZ-UHFFFAOYSA-N 324.336 2.407 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 9482569 GHPBNYOXXPAOQR-SNVBAGLBSA-N 315.329 2.192 0 40 DEAB O=C(NCc1cccnc1-n1cncn1)c1ccc2c(c1)CCC2 47122667 HAZMHWLBJMKAJB-UHFFFAOYSA-N 319.368 2.081 0 40 DEAB O=C(CNC(=O)NCc1ccoc1)Nc1ccc(Cl)cc1 54649595 BQLBWAIMBDQEDL-UHFFFAOYSA-N 307.737 2.371 0 40 DEAB NC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccccc1 54704473 TYRSADQNGSLKKY-BZUAXINKSA-N 312.344 2.272 0 40 DEAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1F 3195880 JYNGFJAOVXUSBT-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB O=C(Cc1nc2ncccn2n1)N1CCC[C@@H]1C1CCCCC1 55600611 KPGICXPPZVDLHE-CQSZACIVSA-N 313.405 2.238 0 40 DEAB NC(=O)Nc1ccc(C(=O)COC(=O)c2cccc(F)c2)cc1 25384414 BLVLSFNQHKXHTC-UHFFFAOYSA-N 316.288 2.356 0 40 DEAB N[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 43577695 VCNKZXFYJNIVEH-SECBINFHSA-N 301.159 2.152 0 40 DEAB CC[C@@H](C)N(C)CCN[C@H](C)CS(=O)(=O)c1ccccc1 108393824 OZRNELDDQGXAPV-HUUCEWRRSA-N 312.479 2.169 0 40 DEAB C[C@H](CN1CCCC1=O)NCc1c[nH]nc1-c1cccs1 37782648 ISZHMPFWJZRRCZ-LLVKDONJSA-N 304.419 2.239 0 40 DEAB C[C@H]1CN(c2ccc(NC(=O)Cn3ccnc3)cc2)C[C@@H](C)O1 58195883 LLPJCELHTIYNCW-OKILXGFUSA-N 314.389 2.135 0 40 DEAB Cc1cc(NC(=O)c2ccc(=O)[nH]c2)n(Cc2ccccc2)n1 48345949 FNKQEHJVEQJAOE-UHFFFAOYSA-N 308.341 2.180 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)C(=O)c2ccccc21 3640308 NILUPXUJWJAZQZ-UHFFFAOYSA-N 308.337 2.471 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1OC 4019082 MNOZCXRIMSCLGL-MMDVMMEASA-N 319.357 2.389 0 40 DEAB O=C(O)CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 4089337 OAXNHNUNWHXGMK-AWEZNQCLSA-N 316.357 2.021 0 40 DEAB biogenic CC1(C)COCN1S(=O)(=O)c1ccccc1C(F)(F)F 4108420 JLKYPLDQMZWQML-UHFFFAOYSA-N 309.309 2.462 0 40 DEAB COc1ccc(CNC(=O)c2c(O)[nH]c3ccccc3c2=O)cc1 18213256 SRMKOMCPFQOVIV-UHFFFAOYSA-N 324.336 2.172 0 40 DEAB COC(=O)c1ccc(NCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 6399297 UOVSEKJOIXIFRG-STQMWFEESA-N 304.390 2.390 0 40 DEAB Cc1ccc2c(CC(=O)NCc3nccs3)cc(=O)oc2c1 65576425 SSQMXNWOCZGKDW-UHFFFAOYSA-N 314.366 2.417 0 40 DEAB C[C@H]1CCCCN1CCCNc1nnnn1-c1ccccc1 14118467 FAEOSWMOLUAPOG-AWEZNQCLSA-N 300.410 2.339 0 40 DEAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C)cc1C 5559636 YSOOIMBFCZSENB-HNNXBMFYSA-N 318.373 2.121 0 40 DEAB COc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1 4723921 JHFGUHWAGXKICX-UHFFFAOYSA-N 323.352 2.434 0 40 DEAB Cc1sc2[nH]c(=O)n(-c3ccc4c(c3)OCO4)c(=O)c2c1C 67334623 UXRMTLXWLKJDBH-UHFFFAOYSA-N 316.338 2.086 0 40 DEAB O=C1CC[C@]2(CCCN(C(=O)OCc3ccccc3)CC2)N1 91303118 XFDDTOBLIZVDJX-KRWDZBQOSA-N 302.374 2.458 0 40 DEAB in-vitro CCN(CC(=O)NC(C)C)C(=O)c1ccccc1OC(F)F 69285071 KITJNPCPBHJCSK-UHFFFAOYSA-N 314.332 2.275 0 40 DEAB COCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)C 9234741 XMWVEGIDRJTCDP-UHFFFAOYSA-N 316.401 2.468 0 40 DEAB CCc1ccc([C@H]2COCCN2C(=O)[C@@H](N)c2ccccc2)o1 96499684 LUPWTHCNJQEOOY-WBVHZDCISA-N 314.385 2.442 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3cccnc3)C2)no1 72231705 UBAODQBRSCREOT-KFWWJZLASA-N 312.373 2.283 0 40 DEAB Cn1cc(CNC2CCN(C3CC3)CC2)c(-c2cccnc2)n1 97159721 PXIYKEAJGCXTCZ-UHFFFAOYSA-N 311.433 2.199 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(c3ncnc4[nH]cnc34)C2)no1 72300265 DPVVJHZSCQDOMF-SNVBAGLBSA-N 313.365 2.243 0 40 DEAB CCCn1nnnc1CSc1nncn1-c1ccccc1C 72758655 AHHQHZOYMRGHMX-UHFFFAOYSA-N 315.406 2.265 0 40 DEAB O=C(NCCc1nnc2n1CCC2)c1ccccc1C(F)(F)F 95350130 LGCKGOGSNCVRBC-UHFFFAOYSA-N 324.306 2.216 0 40 DEAB CC(C)c1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@@H]32)no1 98020368 HAEISRPRYQTJFP-MNOVXSKESA-N 306.366 2.073 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)COc2cccc(F)c2)c(=O)[nH]1 75121859 HCWYMSRGNKHEGV-LLVKDONJSA-N 304.321 2.020 0 40 DEAB O=C1N(c2ccccc2)Cc2nn(Cc3ccc(F)cc3)c(=O)n21 1547201272 VBXHQIUJWFUUIK-UHFFFAOYSA-N 324.315 2.221 0 40 DEAB C[C@@H](C(=O)N1CCOCC1)N1C(=O)c2cccc3cccc1c23 409409591 IKUKFOUWDGMFNX-LBPRGKRZSA-N 310.353 2.047 0 40 DEAB Cc1nonc1CNc1cccc(C[C@@H]2CCCNCC2)n1 72365451 JWKGOIZPAJQLHZ-CYBMUJFWSA-N 301.394 2.317 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)COc1ccc(F)cc1F 79001934 GHJHIJPUXNXGES-NRFANRHFSA-N 319.373 2.007 0 40 DEAB Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCCC3)n2)cc1 38670930 WGVIYDGHDFGQEB-CQSZACIVSA-N 311.385 2.402 0 40 DEAB Cc1cc(C[C@@H](C)NC(=O)N[C@H]2CC(C)(C)OC2(C)C)n[nH]1 181557557 UZQSWEHHUVVPJM-MFKMUULPSA-N 308.426 2.294 0 40 DEAB c1ccc(CN2CCC(c3cncc(-n4ccnc4)n3)CC2)nc1 72355426 ZRVMSLZYTWIQGQ-UHFFFAOYSA-N 320.400 2.437 0 40 DEAB CCCCCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 36661216 XMOFQZSMKVHPOS-SUMWQHHRSA-N 323.437 2.184 0 40 DEAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)N2 31813037 JPAPLRSMWXCSOU-JTQLQIEISA-N 319.752 2.016 0 40 DEAB COc1ccc(C)cc1NC(=O)CNc1ccc(C(N)=O)cc1 32679615 ACUZYGPUYNBNBZ-UHFFFAOYSA-N 313.357 2.153 0 40 DEAB CNC(=O)C[C@]1(Cc2ccccc2)C(=O)N(C)c2ccccc21 71385614 OREYAEFQSCTOKQ-IBGZPJMESA-N 308.381 2.280 0 40 DEAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)N[C@@H](C)CC 217425999 ZQYKJLJRQZOCGP-JTQLQIEISA-N 314.407 2.284 0 40 DEAB Cc1noc(C2CCN(C(=O)COc3ccccc3C)CC2)n1 41123087 JXERJSZFZXYOME-UHFFFAOYSA-N 315.373 2.471 0 40 DEAB CCc1cnc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)o1 195572106 OZWZPKPCHOPHIJ-LLVKDONJSA-N 323.418 2.459 0 40 DEAB CC(=O)N(C)c1cccc(NC(=O)C2(C(=O)O)CCCC2)c1 569976674 UFNJYFXYYBXMIE-UHFFFAOYSA-N 304.346 2.253 0 40 DEAB C[C@@H](Cn1cncn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 195558494 DGRISPGISYBDGT-KBPBESRZSA-N 323.441 2.046 0 40 DEAB CC(C)C[C@@H](C(=O)N1CCC([C@@H](C)O)CC1)N1CCCCC1=O 87374189 BJJWMXWRKGHVLU-ZBFHGGJFSA-N 324.465 2.033 0 40 DEAB Cc1ccc([C@@H]2CCCCCN2CCNS(C)(=O)=O)o1 96415007 AFONRHNPBAFABE-ZDUSSCGKSA-N 300.424 2.054 0 40 DEAB CCc1cnccc1C(=O)OCC(=O)N1CCc2ccccc2C1 97233932 QOWYQOIKAPTCHB-UHFFFAOYSA-N 324.380 2.386 0 40 DEAB CCc1cc(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)on1 96440756 HXKJCXNJHCOATA-JTQLQIEISA-N 319.409 2.018 0 40 DEAB CC(C)c1nnc(CNC(=O)c2ccc(N(C)C)cc2F)n1C 97375951 GXMQPHDRGHFSTH-UHFFFAOYSA-N 319.384 2.074 0 40 DEAB CC[C@@](Br)(C(=O)c1ccccc1)S(C)(=O)=O 96518660 WWSXSFLLPIJCEO-NSHDSACASA-N 305.193 2.415 0 40 DEAB c1cncc(O[C@@H]2CCOC3(C2)CN(Cc2ccncc2)C3)c1 247858784 YWIGSGISSSVHFD-MRXNPFEDSA-N 311.385 2.289 0 40 DEAB O=C(O)C1CCN(Cc2cnc([C@@H]3CCCCO3)nc2)CC1 257321952 WEAZRBVWPKXECY-AWEZNQCLSA-N 305.378 2.015 0 40 DEAB O=C(c1ccc2nsnc2c1)N1[C@H]2CC[C@H]1c1cncnc1C2 252571489 YAYLMYUFQRGGMA-BONVTDFDSA-N 323.381 2.383 0 40 DEAB O=C(COCc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 365520875 WBHAMNLWHRJXSK-QGZVFWFLSA-N 312.369 2.278 0 40 DEAB CO[C@]1(COc2cccc(C)c2)CCN(Cc2cnc[nH]2)C1 585274723 MQPRPNJICBGWAQ-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB CCCCN1CCC[C@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 585101146 IUAYWYNMZQBZNB-ZDUSSCGKSA-N 321.343 2.076 0 40 DEAB Cc1c(C(=O)NOCc2ccccc2)cnn1-c1ccccn1 46320170 HBPOTSFQTOLAKG-UHFFFAOYSA-N 308.341 2.437 0 40 DEAB Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)n1C 53161320 ZWEFBBGPKWGJEP-UHFFFAOYSA-N 301.365 2.435 0 40 DEAB C[C@H](CNC(=O)N1CCc2sccc2C1)Cn1cccn1 54574639 UBIJTTAFHOVVKQ-GFCCVEGCSA-N 304.419 2.349 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)c(=O)[nH]1 65553385 VRWOTNPSNFLEFC-GDBMZVCRSA-N 311.385 2.347 0 40 DEAB CCSc1cncc(NC2CCN(c3ncccn3)CC2)n1 68666046 YTQMJLYIBUMXGR-UHFFFAOYSA-N 316.434 2.460 0 40 DEAB COc1ccccc1-c1nc(C(=O)NC[C@H](C)N(C)C)cs1 69558504 NFZGHXPKJMSPRI-NSHDSACASA-N 319.430 2.499 0 40 DEAB O=C(c1cc2cc(F)ccc2s1)N1CC(n2nccn2)C1 888106894 CJSXIOGYZMGRCA-UHFFFAOYSA-N 302.334 2.329 0 40 DEAB Cc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)cc1Cl 13119510 HETYXXWAUBPXJN-RNJOBUHISA-N 309.749 2.465 0 40 DEAB O=C1CC(c2ccccc2)=NN1c1ccc(S(=O)(=O)O)cc1 16478013 NCXSAFDRROSFDJ-UHFFFAOYSA-N 316.338 2.074 0 40 DEAB O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 207291261 UMMCLDMBXDPGSF-XRRVDJEJSA-N 318.760 2.016 0 40 DEAB O=C(Cc1ccccc1F)NCCc1ccc(C(=O)O)cc1 13442863 ZQSSZGKGVJPIIK-UHFFFAOYSA-N 301.317 2.425 0 40 DEAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cc(C2CC2)[nH]n1 24752596 HEOPSVUUJFBVLG-UHFFFAOYSA-N 321.384 2.462 0 40 DEAB Cc1ccc(N2CCN(c3nc4cnccc4s3)CC2)nn1 1776007874 ISSZLVSOIBKYRT-UHFFFAOYSA-N 312.402 2.116 0 40 DEAB O=C(/C=C/c1ccsc1)N1CCCN([C@H]2CCOC2)CC1 1565523408 NCAIMLFBRCHMPN-FAAWYNLUSA-N 306.431 2.085 0 40 DEAB O=C1C[C@H](n2nc(-c3ccc(F)cc3)oc2=S)[C@H]2CO[C@@H]1O2 6667751 DXCVJASYGNMBHY-UFGOTCBOSA-N 322.317 2.267 0 40 DEAB Cc1cccc(NC(=O)Nc2c(C(=O)N(C)C)nn(C)c2C)c1 76556573 ULTHXQJSQPACJM-UHFFFAOYSA-N 315.377 2.383 0 40 DEAB CCCc1nc(N2CCC[C@](CC)(CO)C2)c2cnn(C)c2n1 72148368 GELRWKDJXHDCPS-KRWDZBQOSA-N 317.437 2.305 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3N=NN(Cc4ccccc4)[C@H]3C2=O)cc1 101417312 UCUYULHKBQEMBL-HZPDHXFCSA-N 320.352 2.488 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)sc1C 101939791 FFSFLTYXMYCXSB-ZJQBRPOHSA-N 315.460 2.050 0 40 DEAB COc1ccc(C)c2sc(NC(=O)C3=COCCO3)nc12 4107090 UIESNPQKVWNDLX-UHFFFAOYSA-N 306.343 2.440 0 40 DEAB CC(=O)c1ccc(OC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7656027 WWSWSOPJDPKDLA-CJNGLKHVSA-N 319.382 2.249 0 40 DEAB CCCNC(=O)CN1CCC(Nc2ccncc2Cl)CC1 89960184 XYXIDBPAAAIMNW-UHFFFAOYSA-N 310.829 2.138 0 40 DEAB CCN(CC)C1=NC(=O)[C@@H](CC(=O)Nc2ccccc2)S1 8985734 AVRIRFYHRZUDKD-GFCCVEGCSA-N 305.403 2.355 0 40 DEAB CN(Cc1nnsc1Cl)C[C@@H]1COc2ccccc2O1 37117564 FVDILXZZIBQAEM-SECBINFHSA-N 311.794 2.463 0 40 DEAB CN1C(=O)CC[C@H](C(=O)Nc2ccon2)[C@@H]1c1cccs1 57355906 LVAWIXCAQJEEIN-TVQRCGJNSA-N 305.359 2.284 0 40 DEAB CCCCOc1ccc(/C=C2\NC(=S)NC2=O)cc1OC 2912744 VOAPFQCXMLOMEP-FLIBITNWSA-N 306.387 2.219 0 40 DEAB CCn1cc(CNCc2cc(C(F)(F)F)nn2C)c(C)n1 20349909 ZGVOROCAQBWNBS-UHFFFAOYSA-N 301.316 2.254 0 40 DEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCC1 22464677 UEBPAMSISIFTCU-MRXNPFEDSA-N 306.381 2.115 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1cccnc1 47302428 GVUMLKDOMMWQBE-UHFFFAOYSA-N 311.370 2.234 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1cccc2ccccc12 100352367 SEAHFCIVWJGXHU-VGWMRTNUSA-N 309.321 2.433 0 40 DEAB CCc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1 108525052 DUKZWYCDWMCOTC-UHFFFAOYSA-N 322.474 2.153 0 40 DEAB CCOc1ccccc1C(=O)OCC(=O)Nc1nccs1 51356637 SRFSSNHUOXDUCB-UHFFFAOYSA-N 306.343 2.337 0 40 DEAB Cc1cnc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)cn1 12577361 ICROOZMBDAJCEH-UHFFFAOYSA-N 314.374 2.203 0 40 DEAB Nc1cc(NC(=O)c2ccc(F)cc2)ccc1N1CCOCC1 20154054 KLUPAYBDIKNNOI-UHFFFAOYSA-N 315.348 2.497 0 40 DEAB NC(=O)c1ccccc1OCCCn1c(=O)oc2ccccc21 58295205 PBTJFZOZMFEBKJ-UHFFFAOYSA-N 312.325 2.163 0 40 DEAB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(-n2ccnc2)cc1 58331278 XELONFLGZYXIHL-HUUCEWRRSA-N 322.416 2.461 0 40 DEAB COc1cc(Cl)ccc1C(=O)NCCC(=O)N1CCCCC1 58330168 DEZGNGJXHWVYJS-UHFFFAOYSA-N 324.808 2.481 0 40 DEAB CN(C)S(=O)(=O)c1ccc(C(=O)N2CCCCCCC2)cc1 3328564 HEYVEXPZXRAHSH-UHFFFAOYSA-N 324.446 2.343 0 40 DEAB CC(C)N1CCN(c2ccc(C(=O)Nc3cn[nH]c3)cc2)CC1 58406448 DNIGRCJBFHFNJE-UHFFFAOYSA-N 313.405 2.192 0 40 DEAB CC(C)(C)OC(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2 3369468 MYSWQDXCYHINDQ-UHFFFAOYSA-N 323.370 2.229 0 40 DEAB CC[C@@H](O)CNc1nc2sc3c(c2c2ncnn12)CCCC3 2395371 ODTARMTUUHEXDQ-SECBINFHSA-N 317.418 2.401 0 40 DEAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 45586931 RSMQQTKEDSZOSK-LLVKDONJSA-N 324.808 2.140 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)c1cccs1 3454626 AWZFRMWEHHSWAL-LBPRGKRZSA-N 304.371 2.262 0 40 DEAB O=C(COC(=O)c1cc2c(s1)CCCC2)NC[C@@H]1CCCO1 3498876 BTBOULTVBNKGCW-LBPRGKRZSA-N 323.414 2.079 0 40 DEAB O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NC2CC2)cc1 12977183 YFTVJJYXBSBBIB-UHFFFAOYSA-N 316.382 2.380 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2nnc(-c3occc3C)o2)c1 69535577 KIKJPQFXCRIBBR-GFCCVEGCSA-N 301.350 2.321 0 40 DEAB CN(CCOc1ccccc1)C(=O)c1n[nH]c(=O)c2ccccc12 5267568 NVSUBZKAXPLUCA-UHFFFAOYSA-N 323.352 2.074 0 40 DEAB Nc1nc(CN2CCCC[C@H]2Cn2cccn2)nc2ccccc12 69631946 KNOKYSZZDUPBIW-AWEZNQCLSA-N 322.416 2.463 0 40 DEAB Cc1nccn1CCCC(=O)N1CCCC[C@@H]1Cn1cccn1 69970390 SEWCNJOCUGDWKP-MRXNPFEDSA-N 315.421 2.250 0 40 DEAB C[C@H](Oc1ccc(C(N)=O)cc1)C(=O)NCC1CCCCC1 14735785 BCPHMJQRTWMKBE-LBPRGKRZSA-N 304.390 2.249 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2cccnc2)c1 8746861 SFJWFNFJGCIWID-LLVKDONJSA-N 304.371 2.324 0 40 DEAB COc1ccc2oc(C(=O)N(C)CC(=O)NC3CC3)c(C)c2c1 7740440 GIYSWIAKJJHYIS-UHFFFAOYSA-N 316.357 2.100 0 40 DEAB O=C1[C@H](NC2CCOCC2)CCN1c1ccc(Cl)c(F)c1 90941672 PDWNJGVTDKAGOR-CQSZACIVSA-N 312.772 2.353 0 40 DEAB C[C@@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(N)=O 16457719 NOWGWUPBEPKAGU-SSDOTTSWSA-N 310.762 2.494 0 40 DEAB CCc1cc2c(=O)n(CC(=O)N3CCC[C@H](C)C3)cnc2s1 19356393 NILCUEWZCJGLSG-NSHDSACASA-N 319.430 2.279 0 40 DEAB COC(=O)c1cn(CC(=O)Nc2ccncc2)c2ccccc12 9114090 FPAVNXSJCIMSHN-UHFFFAOYSA-N 309.325 2.462 0 40 DEAB O=C(c1cnccn1)N1CCn2c(-c3cccc(F)c3)cnc2C1 306139854 UCNLQUZIUDSHEO-UHFFFAOYSA-N 323.331 2.135 0 40 DEAB Cc1sc2ncnc(N3CCN(C[C@@H](C)O)[C@H](C)C3)c2c1C 71859486 XUFASJDMKLYYLW-GHMZBOCLSA-N 320.462 2.199 0 40 DEAB C[C@H](CC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 72295029 ZKXTVMQVOKPUCL-PXAZEXFGSA-N 319.380 2.077 0 40 DEAB CN(C(=O)c1cccn1C)[C@H]1CCN(c2ccccc2F)C1=O 71900340 ZEFKMRYVSATOGM-HNNXBMFYSA-N 315.348 2.042 0 40 DEAB 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COC(=O)c1ccc(NC(=O)COc2cccc(C=O)c2)cc1 4201579 RXNSSDDOYCPZEM-UHFFFAOYSA-N 313.309 2.303 0 40 DEAB O=C(c1ccc2c(c1)CCO2)N1CC[C@@](CO)(c2ccccc2)C1 520679143 DGFZJOJCOJAECO-HXUWFJFHSA-N 323.392 2.398 0 40 DEAB CCOC(=O)c1cn(CC(=O)OC)c2ccc(Cl)cc2c1=O 78400838 RROYUVNMBUMIHR-UHFFFAOYSA-N 323.732 2.005 0 40 DEAB CCOc1ccc(NC(=O)NCc2nccc(N(C)C)n2)cc1 211099486 STUILHSSJRSSKT-UHFFFAOYSA-N 315.377 2.263 0 40 DEAB O=C(Cc1csc(-c2cccnc2)n1)NCc1cccnc1 31868185 XSLFYAAQRAKIFK-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB C[C@H](N)C(=O)N1CCC(CN(Cc2ccccc2)C2CC2)CC1 79415679 YMIKLABWPWZWDE-HNNXBMFYSA-N 315.461 2.237 0 40 DEAB Cc1nn(C(C)C)c2cn(CC(=O)NC3CCSCC3)nc12 72240973 SVZASZPWAHFHJO-UHFFFAOYSA-N 321.450 2.134 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c(Cl)c1 77939824 JYCFPPBNTHOHJA-FZMZJTMJSA-N 324.808 2.254 0 40 DEAB CCNC(=O)Cc1nc(-c2cccc(Br)c2)no1 125406915 TZDQWNRVSIAXJH-UHFFFAOYSA-N 310.151 2.178 0 40 DEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 72398676 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DEAB CN(C)C(=O)N1CCC[C@]2(COCCN(c3ccccc3)C2)C1 96228965 QQYREISVLUAUKN-GOSISDBHSA-N 317.433 2.287 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1cccnc1 95086193 WJOOOGFRBXBWMY-AWEZNQCLSA-N 319.405 2.487 0 40 DEAB CC(=O)N1CCn2c(COCc3csc(C)n3)cnc2[C@@H]1C 96109873 UMEZXZSNNNZBFF-JTQLQIEISA-N 320.418 2.288 0 40 DEAB Cc1ccc(N2CC[C@H](NC(=O)c3scnc3C)C2=O)cc1 96423450 FYOAGAIOSHQEFF-ZDUSSCGKSA-N 315.398 2.295 0 40 DEAB CCOCc1cncc2c1CCN(C(=O)c1cscn1)C2 96189310 GQIOCTDDVOYDMM-UHFFFAOYSA-N 303.387 2.273 0 40 DEAB Cc1nnc2n1C[C@H](NCc1csc(-c3ccco3)n1)CC2 97199378 YEUCZCZXVDHRIB-LLVKDONJSA-N 315.402 2.408 0 40 DEAB c1cc(CO[C@H]2[C@H]3CC[C@H]2N(C2CCOCC2)CCO3)ccn1 247967214 STDKAKGUKYSLSN-KZNAEPCWSA-N 318.417 2.009 0 40 DEAB C[C@H]1c2ccc(F)cc2CCN1CC(=O)NC[C@H]1CCCO1 245343943 WPBYEINBNVHGDF-SWLSCSKDSA-N 306.381 2.040 0 40 DEAB NCc1cn(-c2ccccc2C(=O)NCc2ccccc2)cn1 257344451 ZXFXTCKKVHBUEC-UHFFFAOYSA-N 306.369 2.261 0 40 DEAB COC(=O)CNc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 42121724 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CC(C)(C)c1ccc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 74803125 NTPSAIFVDDBOMM-CQSZACIVSA-N 300.402 2.477 0 40 DEAB Cn1cc([C@@H]2OCC[C@H]2CNCc2c[nH]nc2C(C)(C)C)cn1 84241065 LUCQWUSFOBWZJY-SWLSCSKDSA-N 317.437 2.308 0 40 DEAB CCCNC(=O)CSc1nccn1-c1ccc(OC)cc1 5262931 PISUKZJGVFCKGU-UHFFFAOYSA-N 305.403 2.499 0 40 DEAB Cc1ccn(CCNC(=O)c2[nH]nc(-c3cccs3)c2C)n1 12147296 NLHRCCMHJZEOMX-UHFFFAOYSA-N 315.402 2.382 0 40 DEAB O=C(O)c1ccc2c(=O)n(Cc3cccs3)c(S)nc2c1 15424410 SYNXQTXCLIFFRR-UHFFFAOYSA-N 318.379 2.493 0 40 DEAB O=S(=O)(O)CCC[n+]1ccc(/C=C\c2ccccc2)cc1 5278502 RQSIRILOMAETEH-FPLPWBNLSA-O 304.391 2.422 0 40 DEAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3c2ccn3C)C1 1889136203 BBNLEDXPGHFHQV-CYBMUJFWSA-N 309.373 2.329 0 40 DEAB CNC(=O)C1CCN(CCC(=O)Nc2cccc(Cl)c2)CC1 28903374 LMFRQNZAJRFPGR-UHFFFAOYSA-N 323.824 2.127 0 40 DEAB CCOC(=O)[C@](NC(C)=O)(Nc1cccc(C)c1)C(F)(F)F 3138008 RFLZWVFKGAFWJI-ZDUSSCGKSA-N 318.295 2.365 0 40 DEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1 9823510 XURIUINSNBOQDN-QGZVFWFLSA-N 323.396 2.116 0 40 DEAB COc1ccc(C[C@@](C)(O)CNc2ncnc3cnccc23)cc1 1775972803 WSACSBVCVANFKT-GOSISDBHSA-N 324.384 2.439 0 40 DEAB CC(C)(NC[C@@H](O)C(F)(F)F)c1ccc2c(c1)OCCO2 97378140 HFQLNIGJLRODCM-GFCCVEGCSA-N 305.296 2.206 0 40 DEAB COC(=O)c1oc(Cn2nnc(-c3ccc(C)cc3)n2)cc1C 31609260 ZKGACGUYZMAIHN-UHFFFAOYSA-N 312.329 2.385 0 40 DEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2[nH]cnc2c1 31038533 GEDQKDMFHOYPQG-LBPRGKRZSA-N 309.325 2.133 0 40 DEAB CCn1c(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)nc2ccccc21 40508542 VUPKHESLWUYIQB-LBPRGKRZSA-N 314.389 2.252 0 40 DEAB COCCN1CCN(C[C@H](O)c2ccc(CC(C)C)cc2)CC1 51281755 MZBBSWJNVZGKRH-IBGZPJMESA-N 320.477 2.183 0 40 DEAB O=C1Nc2ccccc2CC[C@H]1S(=O)(=O)c1ccccc1 20714926 RVWJOCIEUVILSU-OAHLLOKOSA-N 301.367 2.414 0 40 DEAB CCCCCCC1O[C@H](C(=O)OCC)[C@@H](C(=O)OCC)O1 1682721 AWQSXWGGHSDENG-STQMWFEESA-N 302.367 2.193 0 40 DEAB CCOC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 352610 DYGUJTAGRHYCOM-INIZCTEOSA-N 323.348 2.457 0 40 DEAB O=C(Cc1ccccc1)Nc1nc(CN2CCOCC2)cs1 21128602 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DEAB O=S(=O)(NCC[C@H]1CCCO1)c1ccc2c(c1)CCCC2 24433350 AFSLCMZHVATDSF-OAHLLOKOSA-N 309.431 2.413 0 40 DEAB COc1ccc(NC(=O)Cc2cc(C(C)=O)ccc2OC)cn1 12534761 HHXXTGLMNGAKRK-UHFFFAOYSA-N 314.341 2.483 0 40 DEAB Cc1csc(N2CCN(Cc3nnc(C4CC4)o3)C[C@H]2C)n1 106775799 GJFZSKZYIKHFLD-LLVKDONJSA-N 319.434 2.423 0 40 DEAB C[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1ccncc1 102361972 CWSYASBLODJANY-RCXZEQIESA-N 300.358 2.172 0 40 DEAB CC(C)c1ccc(NS(=O)(=O)c2cnn(C)c2)c(C(=O)O)c1 55600613 SCDJMNVXEWWKCJ-UHFFFAOYSA-N 323.374 2.043 0 40 DEAB CCN1CCN(c2cc3sc(NN)nc3cc2Cl)CC1 57332275 ZMTOFEHBTIGQFW-UHFFFAOYSA-N 311.842 2.377 0 40 DEAB CC[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1C[C@H](C)O 106906820 HMLHAQFNJFKBLS-UONOGXRCSA-N 309.454 2.249 0 40 DEAB CCC(=O)N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25919430 MFHOCYNBIUATST-UHFFFAOYSA-N 303.358 2.289 0 40 DEAB CCOC(=O)c1cc(NC(=O)NC[C@H]2CCCO2)c(C)nc1C 3243476 FVNTYQAPWYVAEZ-GFCCVEGCSA-N 321.377 2.176 0 40 DEAB Cc1cc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)nc2ccccc12 108805257 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Cc1cccc(CN2C[C@H]3OC[C@@H](CNc4ccccn4)[C@H]3C2)n1 306133359 MJNPRSZRHIDFND-KBAYOESNSA-N 324.428 2.344 0 40 DEAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@@H](C)C1 14202085 XKHTVJNKMBOGHU-CZUORRHYSA-N 321.417 2.369 0 40 DEAB Cc1ccc2nc(SCC(=O)NC[C@H]3CCCO3)[nH]c2c1 6506536 WDWCTAPDVWOFIA-LLVKDONJSA-N 305.403 2.259 0 40 DEAB Cc1[nH]ncc1C(=O)N[C@@H]1CCN(c2ccc(F)cc2F)C1 69848405 BRRAFSXDPKTLFT-LLVKDONJSA-N 306.316 2.005 0 40 DEAB CCn1cnnc1CNC(=O)Nc1cc(C)cc2cccnc12 92146109 DPNKBTJZBQRIDB-UHFFFAOYSA-N 310.361 2.476 0 40 DEAB CC(C)=CC(=O)N1CSC[C@@H]1C(=O)Nc1ncc(C)s1 69950852 CHLDJZBZORLHTA-SNVBAGLBSA-N 311.432 2.258 0 40 DEAB CC(C)CN1Cc2cccc(NS(=O)(=O)c3cnc[nH]3)c2C1 97048195 WPHUXEYZTDTDDX-UHFFFAOYSA-N 320.418 2.182 0 40 DEAB Cn1nccc1CNCCNc1cccc(Br)c1 97048126 BDMFEHDPFNGHCK-UHFFFAOYSA-N 309.211 2.384 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1 19256599 KQUIRMJIPNJVOH-LLVKDONJSA-N 312.163 2.067 0 40 DEAB Cn1cc(CCC(=O)N2CCC[C@H](c3nccs3)C2)cn1 72272014 GBQWSEHLHWBDQH-ZDUSSCGKSA-N 304.419 2.215 0 40 DEAB Cc1noc(CCCC(=O)N(C)c2ccc3c(c2)CCO3)n1 84286663 SKBUWMQOITXOFX-UHFFFAOYSA-N 301.346 2.299 0 40 DEAB CC(C)[C@@H](C(=O)N1CC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 71793035 KDRNUVGKZVBUFY-TZMCWYRMSA-N 308.809 2.413 0 40 DEAB CC1(CCNC(=O)NCC(C)(C)c2cccs2)OCCO1 97115798 JGCMBFHKPUHMBW-UHFFFAOYSA-N 312.435 2.478 0 40 DEAB C[C@H](C(=O)N[C@H](c1cc2ccccc2o1)C1CC1)S(C)(=O)=O 79040793 IJIATCVOBSUYFW-BMIGLBTASA-N 321.398 2.433 0 40 DEAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)no1 71835139 UIIWFPIQDHGABH-GJZGRUSLSA-N 315.373 2.024 0 40 DEAB Cc1cnn(C2CN(Cc3nc(-c4ccsc4)no3)C2)c1 71876776 JGOVNLLZNAWKOE-UHFFFAOYSA-N 301.375 2.360 0 40 DEAB O=C(O)[C@H]1CCC(=O)N(CCc2cccnc2)[C@@H]1c1ccco1 71857696 LIHHRTBNNKQDKQ-BBRMVZONSA-N 314.341 2.282 0 40 DEAB CN(C)c1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)ccn1 71865275 TVPVDEGWAVFNTJ-OAHLLOKOSA-N 313.405 2.039 0 40 DEAB Cc1ccc(-c2ccc(C(=O)N[C@H]3CCN(C(N)=O)C3)s2)o1 97238059 AHQVLWYIWOXPQV-JTQLQIEISA-N 319.386 2.199 0 40 DEAB O=S1(=O)c2cccc3cccc(c23)N1C[C@H](O)C(F)(F)F 97378060 IIMWCMDAPNHCMJ-NSHDSACASA-N 317.288 2.272 0 40 DEAB CC[C@@H](CO)N1CCN(C(=O)Nc2ccc3[nH]ccc3c2)CC1 79062773 GIOJDLAYDXAROM-HNNXBMFYSA-N 316.405 2.088 0 40 DEAB Cc1nc2cc(C(=O)N3CC(O)C3)ccc2n1-c1ccccc1 79103175 LWGCUPDUVNJEGC-UHFFFAOYSA-N 307.353 2.151 0 40 DEAB C[C@H](NC(=O)NCc1ccc(-n2ccnc2)nc1)c1cccnc1 79269041 ABKQZCXIJMXMQD-ZDUSSCGKSA-N 322.372 2.223 0 40 DEAB COc1ccccc1CN[C@H]1CCN(C(=O)C2CC2)C[C@H]1C 84714952 YFQQPIPOHLYFTN-CJNGLKHVSA-N 302.418 2.432 0 40 DEAB CCc1ccsc1CNC(=O)C(=O)Nc1c(C)noc1CC 95442848 NUVKQGJUIHKYPV-UHFFFAOYSA-N 321.402 2.424 0 40 DEAB C[C@](O)(CNS(=O)(=O)c1ccccc1F)c1ccsc1 95433178 XFHGIHICOUDQHL-ZDUSSCGKSA-N 315.391 2.073 0 40 DEAB CC(=O)N1CCC(NC(=O)N2CC=C(c3ccccc3)C2)CC1 95467176 WNWZHXLZOXWPIU-UHFFFAOYSA-N 313.401 2.106 0 40 DEAB CS(=O)(=O)N1CCC[C@H](NCc2cc3ccccc3s2)C1 95412219 QSARCPFISLZMEX-ZDUSSCGKSA-N 324.471 2.415 0 40 DEAB O=C(NCc1coc(-c2ccccc2)n1)C1(O)CCSCC1 95979397 MBYAJTXBCURIFQ-UHFFFAOYSA-N 318.398 2.216 0 40 DEAB CC(C)[C@@H](CO)NC(=O)c1ccc(F)c(Br)c1 95994471 QNOAPAJSEFRJRE-LLVKDONJSA-N 304.159 2.335 0 40 DEAB O=C(O)CN(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 79393466 ODVKTMIVOCUGLY-MRXNPFEDSA-N 302.418 2.448 0 40 DEAB Cc1cc(C(=O)N(C)Cc2cnccn2)c(C)n1[C@H]1CCOC1 528603573 CGBKZYAWRBHJEA-HNNXBMFYSA-N 314.389 2.129 0 40 DEAB CN1CCC(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)CC1 36610970 JVVFMXHCYCXQHR-UHFFFAOYSA-N 322.796 2.002 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1/C=C/c1ccccc1 33837253 YHXCGSKXQOACAT-KRIYSFACSA-N 314.381 2.450 0 40 DEAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCOCC1)C2 35075044 KAZBZPJDMFZKQY-LISAXSMJSA-N 311.466 2.301 0 40 DEAB COc1ccccc1OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 41194902 NDWSNAWOOLOXHS-UONOGXRCSA-N 305.374 2.244 0 40 DEAB COc1ccc(-c2nnc(SC[C@H]3COCO3)o2)cc1OC 521394987 LUMVLHXZBIZEIB-SNVBAGLBSA-N 324.358 2.219 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC[C@H](Sc3ncc[nH]3)C2)cc1 521395095 IIQNHHJRZQBCQM-LBPRGKRZSA-N 323.443 2.273 0 40 DEAB CN1CC(=O)N(C(=O)c2ccccc2F)c2ccccc2C1=O 40385912 JDPLCOPACHYLRD-UHFFFAOYSA-N 312.300 2.085 0 40 DEAB Cc1cc(Br)cnc1NC(=O)c1ccc[n+]([O-])c1 46085498 DBBCNCMTKPISCT-UHFFFAOYSA-N 308.135 2.038 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)O)cn3)C2)oc1C 195551234 UGYWMZAJKAZLMR-CYBMUJFWSA-N 317.345 2.268 0 40 DEAB C[C@H]1C[C@@H](N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 195529828 GQRZYASNEOWHBY-YNEHKIRRSA-N 312.410 2.022 0 40 DEAB C(=C/c1ccccc1)\CN1CCN(c2ncnc3[nH]ncc23)CC1 82359066 KLTZMNQHTCEUEC-QPJJXVBHSA-N 320.400 2.188 0 40 DEAB C[C@@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[C@@H]1C[C@@H]2CC[C@@H]1C2 195537517 LLUWSSBRQOQBJF-OHGMRDKBSA-N 322.474 2.381 0 40 DEAB OCC1CCN(Cc2ccccc2NCc2ncc[nH]2)CC1 86257927 CJDIKEFLCPDUFF-UHFFFAOYSA-N 300.406 2.226 0 40 DEAB C[C@@H](CC(=O)N(C)CC(N)=O)c1cccc(C(F)(F)F)c1 96414273 MRJLYJYWSNLVQS-VIFPVBQESA-N 302.296 2.143 0 40 DEAB CCCCc1c(C)nc(N)nc1N1CCC(n2cnnc2)CC1 92028874 YCMANXZWMQWKJH-UHFFFAOYSA-N 315.425 2.143 0 40 DEAB CCOC(=O)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)O 95347676 KTHVHNXFBZPUOQ-RDDDGLTNSA-N 320.172 2.036 0 40 DEAB COCc1nc(C(=O)N[C@H](C)CCc2cccn2C)cs1 96425744 DBHRDCUKLWTHGA-LLVKDONJSA-N 307.419 2.379 0 40 DEAB CCOCc1ncn2c1CN(C(=O)NCc1ccccc1)CC2 96085156 GVEGDOHOZMJOFZ-UHFFFAOYSA-N 314.389 2.145 0 40 DEAB COc1cc(CN2CC3(C[C@H](OC)CCO3)C2)cc(OC)c1 247963703 RPFTZXXTSUAJNK-CQSZACIVSA-N 307.390 2.084 0 40 DEAB Cc1ccnn1CCC(=O)N1CCC[C@H](c2nccs2)C1 257279176 OFJBDCZFWRBGTN-ZDUSSCGKSA-N 304.419 2.444 0 40 DEAB CNc1cc(C)nc([C@@]2(C)CCCN2Cc2cnn(C)c2)n1 257329283 XJELKAAIXWIOOE-MRXNPFEDSA-N 300.410 2.071 0 40 DEAB COc1cccc(OC)c1CN1CCOC[C@H]1c1ccn[nH]1 257294016 QSBXOIJZFGQHAQ-AWEZNQCLSA-N 303.362 2.000 0 40 DEAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cc(-c2ccco2)n[nH]1 96123010 DHUDVWZSSZTCHJ-LLVKDONJSA-N 313.317 2.080 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)NCCc3ccco3)C2)n[nH]1 669849328 MMQQHKZTIQNGDW-ZDUSSCGKSA-N 302.378 2.443 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cnc[nH]3)C2)c1 585273701 DJODREYQPDMBTG-KRWDZBQOSA-N 301.390 2.124 0 40 DEAB COCCn1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1=O 47194815 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0 40 DEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2cccs2)C1=O 4476649 RHGRWJDDYDUJRH-INIZCTEOSA-N 314.366 2.398 0 40 DEAB O=C(Cc1cccc(F)c1)NCCc1ccc(C(=O)O)cc1 13442035 KVFKWWNDZJMAGN-UHFFFAOYSA-N 301.317 2.425 0 40 DEAB CCN1CCC(NC(=O)c2cncc(Br)c2)CC1 29606698 BCXCTUOKAWKOQU-UHFFFAOYSA-N 312.211 2.058 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2N)cc1 37327541 FCBTXONBUAHXOP-UHFFFAOYSA-N 305.359 2.028 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1csc(C)n1)C2 1565547133 NSZQCCQXCFBGAI-UKRRQHHQSA-N 310.419 2.109 0 40 DEAB COc1ccc(Cn2cc(C(=O)NC3CCCC3)nn2)cc1 4985754 HCZAUMNJXNCDSH-UHFFFAOYSA-N 300.362 2.007 0 40 DEAB C[C@](O)(CNC(=O)c1ccc2c(c1)OCO2)Cc1ccsc1 618257277 TZIIENGZAKZNPF-MRXNPFEDSA-N 319.382 2.200 0 40 DEAB CCCn1c(C)nnc1Cn1nnc(-c2ccc(Cl)cc2)n1 96486199 MNNPFAMDQNRQJC-UHFFFAOYSA-N 317.784 2.352 0 40 DEAB CCOc1ncccc1CNC(=O)c1ccc2c(c1)OCO2 40497931 PICACQJQGDZIQT-UHFFFAOYSA-N 300.314 2.139 0 40 DEAB CCCc1noc([C@H](C)n2nnc(-c3cccc(F)c3)n2)n1 31737211 LHLOBVDOUIESRU-VIFPVBQESA-N 302.313 2.424 0 40 DEAB Fc1ccc(OCc2noc(CN3CCSCC3)n2)cc1 40540672 JNOXRDSEAJRGIL-UHFFFAOYSA-N 309.366 2.337 0 40 DEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(OC(F)F)c1 40541010 BWUIJAJTJCPOBG-JOYOIKCWSA-N 312.316 2.389 0 40 DEAB CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1CO 51149493 REPWEZZPCCYPNT-KGLIPLIRSA-N 319.357 2.183 0 40 DEAB C[C@H](NC(=O)CSCc1nc2ccccc2[nH]1)[C@@H]1CCCO1 69591976 MYGUCGSZHNJIMC-FZMZJTMJSA-N 319.430 2.480 0 40 DEAB CC1(C)CN=C(N2CCN(C(=O)C3[C@H]4CCC[C@H]34)CC2)S1 101541066 JBCQNOHTDAGFOW-RYUDHWBXSA-N 307.463 2.058 0 40 DEAB Cc1c([C@H](C)NC(=O)NCCC(N)=O)oc2ccc(F)cc12 69772266 DKPKFMYCEGFAIQ-VIFPVBQESA-N 307.325 2.116 0 40 DEAB Cc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12 383428 DTOKHTZUKCZDIQ-UHFFFAOYSA-N 309.373 2.269 0 40 DEAB CC[C@H](C)NC(=S)NCCCn1cc(Br)cn1 2790111 KWXCSQFWQKVOOG-VIFPVBQESA-N 319.272 2.298 0 40 DEAB CCOc1ccc([C@@H]2CC(=O)Nc3ncnn32)c(OCC)c1 8254780 NXZODOCMEPJEBI-LBPRGKRZSA-N 302.334 2.007 0 40 DEAB CC[C@@H]1CN(c2ncnc3sccc23)CCN1CCOC 69779879 LOIWMXKREFHDAW-GFCCVEGCSA-N 306.435 2.238 0 40 DEAB O=C(CN1CCCCCCC1=O)Nc1nc2ccccc2[nH]1 32937150 PFLGBTWDBOJBGQ-UHFFFAOYSA-N 300.362 2.294 0 40 DEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C=C(C)C 37143397 YJFRDPNZMYDLTQ-UHFFFAOYSA-N 318.373 2.211 0 40 DEAB CC(C)[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9762298 GJIBOVZKQLYOSH-GFCCVEGCSA-N 310.419 2.136 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)c1 103527178 VVWOZJJSLFQVIW-GVARAGBVSA-N 311.337 2.093 0 40 DEAB C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C[C@@H](C)O1 53533985 OMTLNTKTRCOERT-ZNMIVQPWSA-N 321.421 2.235 0 40 DEAB COc1ccc([C@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c1 899848 LMLDNMHDNFCNCW-GFCCVEGCSA-N 316.309 2.474 0 40 DEAB endogenous,in-man Cc1c(C)n(C[C@H](O)CN2CCN(C)CC2)c2ccc(F)cc12 22918348 MOBWUOZALFAGOH-MRXNPFEDSA-N 319.424 2.006 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccco1 47194808 GAYLALFEHLXPKP-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc2[nH]ccc2c1 61718822 QTONXZPTPLNIPH-UHFFFAOYSA-N 322.368 2.242 0 40 DEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(Cl)cc2)s1 105739792 ADVVZQRHIJBSPE-WNEGCBGQSA-N 321.829 2.314 0 40 DEAB O=c1ccc(-c2nnco2)cn1Cc1cccc2cccnc12 43241843 LOWFZFLTVSKRDU-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB Cc1c([C@H](C)NC(=O)CCc2nc3ccccc3[nH]2)cnn1C 25001674 KPDXJXKADDSXEH-NSHDSACASA-N 311.389 2.415 0 40 DEAB Cc1nc(N2CC(Oc3ccccc3C)C2)c2cnn(C)c2n1 72164975 YKEDHUXKMJNNBM-UHFFFAOYSA-N 309.373 2.248 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NC[C@H](C)Cn2cccn2)C12CCC2 107507722 TUGDBSSQJTYKEP-SOUVJXGZSA-N 320.437 2.166 0 40 DEAB CCOC(=O)CCN(C(=O)CSCc1ccccn1)C1CC1 58863829 XKGIFEOIXOOATB-UHFFFAOYSA-N 322.430 2.259 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@H](C)S(C)(=O)=O 44687938 HPUXEIHYYJQGCY-CMPLNLGQSA-N 313.419 2.151 0 40 DEAB CN(Cc1ccon1)C[C@H](c1cccs1)N1CCOCC1 76019782 KUUVWAYOFXOUKD-CQSZACIVSA-N 307.419 2.241 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)NCCCOC1CCCCC1 44973742 CZSBKLGZBIDUOQ-CYBMUJFWSA-N 322.405 2.254 0 40 DEAB CC(C)n1ncc2cc(C(=O)N[C@H](C)[C@H]3CCCO3)cnc21 27885457 XZIMMQWXNJGGGS-BXUZGUMPSA-N 302.378 2.310 0 40 DEAB COc1cc(F)c(S(=O)(=O)N2CCC(C)CC2)cc1OC 27938665 RFJDTXSKQDHGHC-UHFFFAOYSA-N 317.382 2.264 0 40 DEAB COc1ccc(/C=C2\SC(=O)N([C@@H](C)C(=O)O)C2=O)cc1 2234163 RONGUDWUOIRGNR-CLUBXZQOSA-N 307.327 2.205 0 40 DEAB O=S(=O)(N[C@H]1CCOc2ccccc21)N1CCCCCC1 12944606 AFEZRIKIBSZBPW-AWEZNQCLSA-N 310.419 2.221 0 40 DEAB CC(C)[C@H]1NC(=O)N(CC(=O)N(C(C)C)C2CCCCC2)C1=O 12972593 NEBYGPNHKCGAMS-OAHLLOKOSA-N 323.437 2.133 0 40 DEAB Cc1cc(Br)ccc1NC(=O)C1=NN(C)C(=O)CC1 12989229 BSGYVCABPWJSFY-UHFFFAOYSA-N 324.178 2.304 0 40 DEAB CC1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 13096835 HKEYIWFGFGXOCE-UHFFFAOYSA-N 309.435 2.102 0 40 DEAB CN(C)C(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1 8091107 JMDCTQPIEJIPSF-UHFFFAOYSA-N 318.398 2.214 0 40 DEAB O=C(Cc1ccc(F)cc1)Nc1ccnn1C[C@H]1CCOC1 63827795 SUBQMLSVQFRLTH-CYBMUJFWSA-N 303.337 2.240 0 40 DEAB CCc1nnc2n1C[C@H](CNCc1c[nH]nc1C(C)(C)C)CC2 69843273 YPXVLNDREWWNPV-LBPRGKRZSA-N 316.453 2.213 0 40 DEAB CCc1cccc(NC(=O)CN2CCN(CC(C)C)CC2)c1 49969076 DPUDGOLHDRTSFR-UHFFFAOYSA-N 303.450 2.461 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)C(N)=O)C(C)(C)c1ccccc1 70018478 OCKNNRUGEGIEFW-LBPRGKRZSA-N 305.422 2.163 0 40 DEAB O=C(O)c1nnn(-c2cc(F)cc(F)c2)c1-c1ccccn1 65288249 RFRBIRKPFUGUKT-UHFFFAOYSA-N 302.240 2.306 0 40 DEAB in-vitro Cc1nccn1[C@H]1CCCN(C(=O)CCCn2cccn2)C1 69900945 FUZVBPAIDXPWKN-HNNXBMFYSA-N 301.394 2.032 0 40 DEAB CC(C)[C@H](C)NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 5253546 FFPGYAYXXLUZNV-JTQLQIEISA-N 307.781 2.211 0 40 DEAB CC(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 8388841 OHVIUUNZDVCINT-UHFFFAOYSA-N 300.314 2.241 0 40 DEAB Cc1ccc(CCCC(=O)N(C)CCN2CCOCC2)cc1 65494463 TXYWWASPVTTZDH-UHFFFAOYSA-N 304.434 2.108 0 40 DEAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C)CN1CCOCC1 65517296 QAMIZHKQSBOVOZ-INIZCTEOSA-N 304.434 2.392 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4592794 LXHJRRBSWSQQRM-WVWOOGAGSA-N 317.341 2.159 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1F 6537578 DPQFSMORGOOYNP-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB COC(=O)NCC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 65918137 LZWFBKMNRZUILP-UHFFFAOYSA-N 315.373 2.230 0 40 DEAB CN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccc1 7115576 ANYBLLSMIRMBTF-UHFFFAOYSA-N 318.398 2.165 0 40 DEAB O=C(CSc1nnc2ccccn12)Nc1cccc2[nH]cnc12 97083188 MCDYPSDZWCSVDB-UHFFFAOYSA-N 324.369 2.336 0 40 DEAB COc1cc2ccncc2cc1OCC(=O)NCC(F)(F)F 97049937 XBRKGYHPUNSKBM-UHFFFAOYSA-N 314.263 2.301 0 40 DEAB CCc1cccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)c1 72234712 ADDCXWZQMQRJDC-OAHLLOKOSA-N 314.389 2.083 0 40 DEAB CCC(C)(C)[C@H]1CCCN1C(=O)c1c[nH]c2c(cnn2C)c1=O 96004578 LXQMZMRVPIVSCJ-CYBMUJFWSA-N 316.405 2.302 0 40 DEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1cc(C(C)(C)C)on1 72277938 ZSKFLZKRNDDTCA-VIFPVBQESA-N 302.396 2.122 0 40 DEAB COc1ccc(C2=NN[C@]3(C2)C(=O)Nc2ccccc23)cc1OC 9305605 ALYAIVJEQXOUMC-SFHVURJKSA-N 323.352 2.249 0 40 DEAB Cn1cnc(-c2ccc(NC(=O)C[C@H]3CCCCO3)cc2)n1 97140528 WMBUWLQVBKMMJS-CQSZACIVSA-N 300.362 2.380 0 40 DEAB COC(=O)c1cc(-c2ccccc2)nn1C[C@H](O)C(F)(F)F 97141619 AOJKCKFMHSGFAU-LBPRGKRZSA-N 314.263 2.260 0 40 DEAB Cc1nccc(CNC(=O)N2CC[C@@H](OCCC(C)C)C2)n1 83645196 NAOFATIHPGGXEK-OAHLLOKOSA-N 306.410 2.132 0 40 DEAB Cc1cccc(C)c1OCCCN(C)[C@H]1CCS(=O)(=O)C1 71903153 DXZDIQIZROOARE-HNNXBMFYSA-N 311.447 2.191 0 40 DEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)c2ccco2)c1C 9690254 YPBCAFWECVRRCZ-UHFFFAOYSA-N 322.386 2.399 0 40 DEAB CCOCCO[C@@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)OC)c1 95393507 KIVPHBKLSWGBPF-ZDUSSCGKSA-N 323.389 2.470 0 40 DEAB C[C@@H](NC(=O)CN(CCO)Cc1ccsc1)c1ccco1 84661236 ABXIVUJRQZCWDW-GFCCVEGCSA-N 308.403 2.013 0 40 DEAB CN(C)c1ccccc1NC(=O)N(C)[C@H]1CCN(C2CC2)C1 78822076 IKTFXMVTWFQHGL-AWEZNQCLSA-N 302.422 2.453 0 40 DEAB Cc1nccn1C[C@@H](C)CNC(=O)NC[C@@]1(C)CCCS1 95412450 VHGFWFVFUXRVBV-SWLSCSKDSA-N 310.467 2.413 0 40 DEAB CC(=O)Nc1cccc(NC(=O)CN(C)Cc2ccncc2)c1 95431542 ZWBCDLTVVQSQKM-UHFFFAOYSA-N 312.373 2.111 0 40 DEAB CCn1cc(C(=O)Oc2cc(C(=O)OC)cc(F)c2C)cn1 95451906 AFRBYGAHBDLLFW-UHFFFAOYSA-N 306.293 2.356 0 40 DEAB Cc1c(CCNC(=O)c2ccnc(OC3CCC3)c2)cnn1C 95445576 PYYBDCIRXJGXCO-UHFFFAOYSA-N 314.389 2.027 0 40 DEAB CCC(=O)Nc1cccc(C(=O)Nc2cn(C)c(=O)cc2C)c1 78976338 FFMWRQJTKUCHJN-UHFFFAOYSA-N 313.357 2.295 0 40 DEAB CC(C)c1noc(CCNC(=O)N2C[C@H](C)S[C@@H](C)C2)n1 78941578 KMLGFQVYLBPSGS-QWRGUYRKSA-N 312.439 2.271 0 40 DEAB Cc1cc(=O)c(C(=O)N[C@H](C)[C@H](C)Oc2ccccc2)c[nH]1 73917959 KKETZUNINCKXON-OLZOCXBDSA-N 300.358 2.269 0 40 DEAB COc1cccc(C[C@@H]2CCCN2C(=O)c2cccc[n+]2[O-])c1 95954066 ODOYOJAAYNMPJJ-HNNXBMFYSA-N 312.369 2.176 0 40 DEAB Fc1cccnc1N1CC[C@H](NCc2cccc3cn[nH]c23)C1 95990150 DMKJLNPJLIDEIY-AWEZNQCLSA-N 311.364 2.466 0 40 DEAB COc1cc([C@H](C)NCC(=O)Nc2c(C)n[nH]c2C)ccc1F 95985222 ZDQBBKXETIZVRT-VIFPVBQESA-N 320.368 2.464 0 40 DEAB Cc1cc(C)c(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 74499720 BYBCKTFGXQIFAF-AWEZNQCLSA-N 309.431 2.053 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1ccc2[nH]c(C(F)F)nc2c1 74689840 JVMKZBMXHBKCKK-ZETCQYMHSA-N 311.288 2.182 0 40 DEAB O=C(NCc1nccs1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123183 KFEUXOAPYTUARE-UHFFFAOYSA-N 318.280 2.172 0 40 DEAB Cc1cc(CC(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)no1 89601034 VJWNOECRKDLRNL-MRXNPFEDSA-N 318.373 2.163 0 40 DEAB O=C([C@H]1COCCO1)N1CCCCC[C@@H]1Cc1cccs1 89799993 WEHOCAUBONSVTH-UKRRQHHQSA-N 309.431 2.477 0 40 DEAB CCCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2OC)C1=O 409233663 HCFRORVONZQKHN-YRNVUSSQSA-N 320.345 2.015 0 40 DEAB Cc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(C)C)C2=O)o1 409217679 RKNZOBRYUNOTLA-SDQBBNPISA-N 322.386 2.397 0 40 DEAB O=C(NCc1ccccn1)[C@@H]1CC(O)=Nc2nc3ccccc3n21 72471026 IEZJQSYTLCJWBH-AWEZNQCLSA-N 321.340 2.281 0 40 DEAB CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N 79409754 JPXOSCKLCVIHBC-XQQFMLRXSA-N 313.442 2.018 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)c1cccnc1Cl 7989483 GXYKRPLQLZLTSW-UHFFFAOYSA-N 318.760 2.479 0 40 DEAB Cc1ccc2[nH]c3c(=O)n(Cc4nc(C5CC5)no4)cnc3c2c1 33268006 XWRWSSUYODTIGN-UHFFFAOYSA-N 321.340 2.495 0 40 DEAB O=C(Nc1cn[nH]c1)C1CCN(c2nc3ccccc3o2)CC1 30663600 JJULHSIDVGNABO-UHFFFAOYSA-N 311.345 2.406 0 40 DEAB Cc1cc(Br)cc(C(=O)OCCn2cncn2)c1 184236970 ZBQGEMJWNXXGHK-UHFFFAOYSA-N 310.151 2.206 0 40 DEAB O=C(NCCn1cccn1)N1CCc2cc(Cl)ccc2C1 188984362 ATTFOXIBHIWHKI-UHFFFAOYSA-N 304.781 2.304 0 40 DEAB CCS(=O)(=O)c1ccccc1NCC(=O)NC1CCCCC1 195576126 YPYSLQULYRJPON-UHFFFAOYSA-N 324.446 2.341 0 40 DEAB Cn1nc(C(=O)NC2CCCC2)cc1NC(=O)c1cccs1 40745909 YSTSZLVQUORBLU-UHFFFAOYSA-N 318.402 2.406 0 40 DEAB Cc1occc(=O)c1OCC(=O)Nc1cc(F)c(F)c(F)c1 40287400 JOUNKIHOLYNOKR-UHFFFAOYSA-N 313.231 2.383 0 40 DEAB CCc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)n[nH]1 195551298 PHLKBYPNUWRSHN-ZDUSSCGKSA-N 301.346 2.226 0 40 DEAB Cc1occc1S(=O)(=O)Cc1nnc(C2CC2)n1C1CC1 191110643 JQUPSXWUWZVVNG-UHFFFAOYSA-N 307.375 2.366 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1nccs1 96184567 VKPUMTRMFRKQRI-NEPJUHHUSA-N 320.443 2.089 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](Cc2ccccn2)[C@@H]1C(=O)O 96675793 FXGBMHVRXPPJEQ-DGCLKSJQSA-N 306.362 2.334 0 40 DEAB CC(C)c1ocnc1C(=O)OCCNC(=O)c1ccccc1 96442822 BGEPTBSBVMKGIF-UHFFFAOYSA-N 302.330 2.385 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccs2)o1 96181187 CSNOBYQTTJBIMU-DOMZBBRYSA-N 318.398 2.485 0 40 DEAB COC[C@@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CN1C(C)C 96240298 GNAJOKKSPVGKFX-KRWDZBQOSA-N 320.481 2.131 0 40 DEAB CC(C)NC(=O)N1CCC[C@@]2(C[C@@H](Nc3nccs3)CO2)C1 96223376 PCZLUJIBESCDCX-IUODEOHRSA-N 324.450 2.297 0 40 DEAB Cn1cc(CNc2ccccc2N2CCC(CO)CC2)cn1 96474329 OTAODWVQNKXBJC-UHFFFAOYSA-N 300.406 2.241 0 40 DEAB O=C(NC[C@@H](O)C1CCOCC1)C1(c2cccc(F)c2)CCC1 96454970 LGUKRNWEYIMVAE-MRXNPFEDSA-N 321.392 2.151 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)OC[C@@H]2CCCc3ccccc32)C1 96404089 KMQSEUFDGPSOCG-CABCVRRESA-N 316.401 2.440 0 40 DEAB CNC(=O)C1=NO[C@]2(CCN(Cc3ccc(C(C)C)cc3)C2)C1 96225439 BNNSIYOUOFNMRQ-GOSISDBHSA-N 315.417 2.277 0 40 DEAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2cccs2)C3)nc1 247838064 OCJRPKWXABHXFN-CYBMUJFWSA-N 317.414 2.351 0 40 DEAB Cc1cc(CN2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)no1 247880004 BUDXWKLFMZEOHA-HNNXBMFYSA-N 315.373 2.190 0 40 DEAB c1cc(CO[C@H]2CCOC3(C2)CN(C2CCOCC2)C3)ccn1 247917366 BLNSBGAYAGCGSD-KRWDZBQOSA-N 318.417 2.011 0 40 DEAB C[C@]12CCCN(C(=O)COc3ccc(F)cc3)[C@@H]1CCCN2 257261652 LIGWMDWEPXUFEN-WBVHZDCISA-N 306.381 2.338 0 40 DEAB Cc1cccc(CNc2n[nH]c3nc([C@H]4CCNC4)ccc23)n1 257310677 UGBVKZFLQUWZOR-LBPRGKRZSA-N 308.389 2.350 0 40 DEAB CCc1nccn1CCC(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257210851 BWKGNBFJNUHKCV-AWEZNQCLSA-N 315.421 2.040 0 40 DEAB CC(C)(CO)NC[C@@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531665 NMPWWLKZCVZQAN-LDDOYCOJSA-N 313.482 2.329 0 40 DEAB Cc1ncsc1-c1ncccc1C(=O)N1CCC(O)CC1 257276141 NSMNPDZCCTVHMP-UHFFFAOYSA-N 303.387 2.110 0 40 DEAB O=C(O)[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514095 BEESZWZTUJDOCM-RBSFLKMASA-N 320.341 2.466 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(OC(C)C)cc2)[C@H]1O 257268198 MKRCSDNIWLFCNZ-BRWVUGGUSA-N 321.417 2.474 0 40 DEAB O=C(c1cccs1)N1CC[C@H]2CN(Cc3ccncc3)C[C@@H]21 585107641 DLUSSRRDIIYKGQ-GJZGRUSLSA-N 313.426 2.490 0 40 DEAB COc1ccccc1CN1CC(F)(F)C[C@]2(CCNC2=O)C1 585093194 IDTUJQQCKSLHTA-OAHLLOKOSA-N 310.344 2.043 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1Cc1ccccn1 65463996 GSHYVIOWVDYSBO-CQSZACIVSA-N 313.401 2.409 0 40 DEAB CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N[C@@H]1CCCNC1=O 70009550 QUPKYEGEGILYLB-GNEQJTLISA-N 316.401 2.272 0 40 DEAB C[C@@H](NC(=O)c1nccnc1N)c1cccc(Br)c1 12972689 JIEGQXWQBNKAHP-MRVPVSSYSA-N 321.178 2.312 0 40 DEAB C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 95442426 FSXSGWHLQIMQKK-ZWNOBZJWSA-N 303.811 2.264 0 40 DEAB C[C@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 13139617 GDYZQHMAUYZCAF-GLBINXAQSA-N 309.406 2.196 0 40 DEAB CCc1nccn1C[C@@H](C)C(=O)N[C@@H](C)CN1CCCCCC1 19523581 UFQKDAYYYGGMRY-CVEARBPZSA-N 320.481 2.462 0 40 DEAB C[C@@H](c1ccccc1)N1CCC[C@@H](NS(=O)(=O)C2CC2)C1 1889130539 CMMISLWISOLEEM-DZGCQCFKSA-N 308.447 2.294 0 40 DEAB COc1ccccc1[C@@H](C)NS(=O)(=O)N1CCC(C)CC1 32755573 HDNUVZDAFLJKBY-CYBMUJFWSA-N 312.435 2.323 0 40 DEAB O=C(N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1)C1(F)CCC1 1565546565 HGQSCOZKALJOSS-GOEBONIOSA-N 319.380 2.146 0 40 DEAB 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ARRQMYBYZQTGQW-UHFFFAOYSA-N 314.838 2.448 0 40 DEAB NC(=O)NC(=O)CN1CCC[C@@H]1Cc1cccc2ccccc12 60890717 VMUNMAZBFANLIN-OAHLLOKOSA-N 311.385 2.042 0 40 DEAB Cc1ccoc1C(=O)N1CCC2(CC(Nc3ncccn3)C2)C1 108528820 RQCWGNJVWQWDTN-UHFFFAOYSA-N 312.373 2.485 0 40 DEAB C[C@H](c1cccs1)N(C)C(=O)NCCNc1ncccn1 47057529 ZVCIXGGWOKRNLZ-LLVKDONJSA-N 305.407 2.353 0 40 DEAB CCCCc1nc(C)c(C(=O)NCCNc2ncccn2)s1 47105515 UYQPFIIJCYRTPV-UHFFFAOYSA-N 319.434 2.426 0 40 DEAB COc1ccc(NC(=O)CCNC(=O)C(C)(C)C)cc1OC 25896607 ACIYBIBDZREUEC-UHFFFAOYSA-N 308.378 2.195 0 40 DEAB CCN1CCN(C(=O)c2[nH]c3ccc(OC)cc3c2C)CC1 57120864 WGDNXBJLJZVOSR-UHFFFAOYSA-N 301.390 2.263 0 40 DEAB C[C@@H]1CCc2c(sc3ncnc(NCCOCCO)c23)C1 1778469 AONBETIFMISDRG-SNVBAGLBSA-N 307.419 2.237 0 40 DEAB COc1ccc(CNC(=O)CCNC(=O)OC(C)(C)C)cc1 26524093 IOIAVDUHRQOICV-UHFFFAOYSA-N 308.378 2.226 0 40 DEAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[C@H]2CCCCO2)C1=O 27291145 IDFDALDNHVJCRF-GXTWGEPZSA-N 316.357 2.108 0 40 DEAB CCOC(=O)[C@@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 58013743 MWHCYDOAJZHHDA-LLVKDONJSA-N 305.334 2.105 0 40 DEAB COc1c(CNCCn2c(C)nc3ccccc32)c(C)nn1C 58311011 BKYYKMLAINMTIZ-UHFFFAOYSA-N 313.405 2.185 0 40 DEAB CCOC(=O)CSc1nnc(CCc2ccccc2)n1C 17031213 FSCPWYRYRQJRNH-UHFFFAOYSA-N 305.403 2.256 0 40 DEAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 69489124 OBZYKCOEIKTQHP-NWDGAFQWSA-N 324.808 2.140 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)n1 69528780 QJGCMICSAYKJLJ-KBPBESRZSA-N 320.437 2.040 0 40 DEAB C[C@H](CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 49909946 PKQZTXMQXOKWJB-OAHLLOKOSA-N 310.401 2.319 0 40 DEAB CCOc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCC 13940672 PTFGVBINSSUZFJ-POHAHGRESA-N 310.737 2.318 0 40 DEAB Cn1ncc2c(N3CCC(CN4CCCCC4)CC3)ncnc21 65439618 UOGJRASTXPZZCD-UHFFFAOYSA-N 314.437 2.066 0 40 DEAB C[C@@H](CC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1)C1CC1 69632240 HHQVUXJQNIHZJY-MAUKXSAKSA-N 316.445 2.300 0 40 DEAB COc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1cc(C)on1 14016093 YIJMFMINNPCBTJ-JTQLQIEISA-N 304.302 2.176 0 40 DEAB 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DEAB Cc1cccc(C(C)(C)CNC(=O)[C@@H]2CCCN(C(N)=O)C2)c1 68822849 BJFMUINOFZGCAM-CQSZACIVSA-N 317.433 2.180 0 40 DEAB CC1CCN(C(=O)CN2CCC[C@@H]2CN2CCCCC2)CC1 69078810 YTDBLFMWUZZKSG-QGZVFWFLSA-N 307.482 2.195 0 40 DEAB COc1ccc(CCNC(=O)c2c(C)nn(C)c2C)cc1OC 29600200 TXMHXPGQCNROCA-UHFFFAOYSA-N 317.389 2.027 0 40 DEAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccc(=O)[nH]c1 71795993 JSHIMPOFENDDPQ-QGZVFWFLSA-N 305.337 2.289 0 40 DEAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCC[C@H](O)C(F)(F)F)C2 96431150 CQOBTIRBRIWCPO-OLZOCXBDSA-N 317.307 2.036 0 40 DEAB O=C(N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(O)cc1F 97046613 IXJVCPYYVSKDCO-GFCCVEGCSA-N 320.364 2.052 0 40 DEAB Cc1[nH]c2ccccc2c1CCNC(=O)N1CCC[C@H](CO)C1 71867551 DDFUSGZXIUDSFH-AWEZNQCLSA-N 315.417 2.433 0 40 DEAB CC(C)Oc1cccc(CN2CCC[C@@H](N3CCNC3=O)C2)c1 71841097 BZQVDBHKMKUUMI-MRXNPFEDSA-N 317.433 2.463 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2n[nH]c3ccccc23)c1 71869895 SJLDRZNRVXGYOU-CQSZACIVSA-N 323.400 2.302 0 40 DEAB COC1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 71881418 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CS(=O)(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 75612339 KJFVMDYAIMWMSB-ZDUSSCGKSA-N 305.403 2.216 0 40 DEAB CNCCc1nc(-c2ccc3c(c2)NC(=O)[C@@H](C)O3)cs1 84730022 JFIVVNDYHMQESR-SECBINFHSA-N 303.387 2.291 0 40 DEAB C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C[C@H]1N(C)C 84714262 FQXBPCJXDRBUJY-YVLXSGLVSA-N 308.809 2.052 0 40 DEAB NC(=O)[C@@H](CNCc1cccc(F)c1)Cc1ccc(F)cc1 95452882 KYPQPKCCELSSHL-CQSZACIVSA-N 304.340 2.399 0 40 DEAB CC(C)c1cnc(CN(C)[C@H]2CCN(C[C@@H]3CCCO3)C2)o1 95961642 FITNJPKFGSNOPV-GJZGRUSLSA-N 307.438 2.483 0 40 DEAB O=C(COCC(F)(F)F)Nc1ncccc1Br 78997896 NQKBDOJVONSSFW-UHFFFAOYSA-N 313.073 2.362 0 40 DEAB CCSc1nc2nc(CSc3ncccn3)cc(O)n2n1 9936024 OMAHWQAEHWFZCZ-UHFFFAOYSA-N 320.403 2.024 0 40 DEAB CC(C)(CNC(=O)c1ccc2c(c1)CCCC2)S(C)(=O)=O 75093948 WLANGDYOYUSJOL-UHFFFAOYSA-N 309.431 2.118 0 40 DEAB OC[C@H]1CCCN1C[C@H]1CCCN1CCOc1ccc(F)cc1 75104333 SNLIRKCFALWXBJ-IAGOWNOFSA-N 322.424 2.126 0 40 DEAB NC(=O)[C@H]1CCCC[C@@H]1Nc1ncnc2cc(F)c(F)cc12 89764961 CUAYWECQWYSZKO-UFBFGSQYSA-N 306.316 2.364 0 40 DEAB C[C@@H](CC(=O)Nc1cccc(F)c1)NCCCn1cccn1 89894549 PGQCHDIIMPWNHG-ZDUSSCGKSA-N 304.369 2.419 0 40 DEAB Cc1occc1C(=O)Nc1cccc(Cn2cccnc2=O)c1 79587037 XQJOVUKSDMEXBP-UHFFFAOYSA-N 309.325 2.445 0 40 DEAB O=C(Cc1cccc(O)c1)NC[C@@H](O)c1ccccc1Cl 77631367 APWRYPUJQIQKCQ-OAHLLOKOSA-N 305.761 2.438 0 40 DEAB O=C(Nc1ccc(-n2cncn2)nc1)c1noc2c1CCCCC2 125745518 DCERCBHGENTKEV-UHFFFAOYSA-N 324.344 2.172 0 40 DEAB CN(Cc1cccs1)C(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72239569 ZUOZJXDRQYDEEW-AWEZNQCLSA-N 318.398 2.491 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)cn1 79335739 NDVCSRSPBRODPL-ZDUSSCGKSA-N 319.405 2.377 0 40 DEAB CCOC(=O)c1[nH]nc(C(F)F)c1I 72339192 IFASAFXNOLRXJB-UHFFFAOYSA-N 316.045 2.129 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1C 36610975 ITXUUXXQPFGPNN-KGLIPLIRSA-N 321.421 2.369 0 40 DEAB CCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CC(C)C 225867914 XBLGJZCJLPJYAP-UHFFFAOYSA-N 323.418 2.019 0 40 DEAB Cc1noc(C2CN(C(=O)c3nc4ccccc4s3)C2)n1 49482475 BXMHDMCPOVVNRB-UHFFFAOYSA-N 300.343 2.227 0 40 DEAB C[C@@H]1CN(S(=O)(=O)CCc2cccs2)C(C)(C)CO1 195404085 JEXYVIQUZDHXMQ-LLVKDONJSA-N 303.449 2.120 0 40 DEAB CC(C)c1ccc(NC(=O)C(=O)NCC[C@@H](O)C2CC2)cc1 77108355 SQCIIVNDKKJECG-OAHLLOKOSA-N 304.390 2.026 0 40 DEAB Cn1nc(OCCCC(=O)NC[C@H]2CCCO2)c2ccccc21 226865363 KONIVWGHZIUIOD-CYBMUJFWSA-N 317.389 2.028 0 40 DEAB Fc1cc(OCCN2CCOCC2)ccc1Br 84847279 VKWGRMJGLCODKR-UHFFFAOYSA-N 304.159 2.299 0 40 DEAB Cc1ccc(N2CCc3ncnc(NC4CCC4)c3CC2)nn1 96255764 ALRMSNKFAINWRA-UHFFFAOYSA-N 310.405 2.145 0 40 DEAB CCOC[C@@H]1CC2(CCN(C(=O)c3cscn3)CC2)CO1 96105876 LQYUOAONEQEFKD-LBPRGKRZSA-N 310.419 2.191 0 40 DEAB Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C)c1 96420306 CFPWLZHVVIAYQJ-KRWDZBQOSA-N 306.406 2.237 0 40 DEAB COc1ccc(NC(=O)C2CCC(Cn3cnnn3)CC2)cc1 96232029 IUKJFNKKGYYNOX-UHFFFAOYSA-N 315.377 2.127 0 40 DEAB CO[C@@H]1CCCN(CC2(CN3CCOCC3)CCCCC2)C1 91772552 YXRSDWPSKPASAN-QGZVFWFLSA-N 310.482 2.380 0 40 DEAB COC(=O)CCN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 95436588 SGSPCSRJUOESEF-CHWSQXEVSA-N 317.307 2.376 0 40 DEAB O=C(NCCc1nncn1C1CC1)Nc1cccnc1Cl 96419825 CIZWNMQZUWBOLN-UHFFFAOYSA-N 306.757 2.026 0 40 DEAB O=C(O)CC1(Cn2nnc3ccccc3c2=O)CCCCC1 94992965 VWCWFEHRCLHIIT-UHFFFAOYSA-N 301.346 2.217 0 40 DEAB CSc1ccc(O[C@H](C)C(=O)NC2CCN(C)CC2)cc1 96419967 ZQICYUSJUZQOTG-GFCCVEGCSA-N 308.447 2.386 0 40 DEAB C[C@H]1c2ncc(CNC(=O)C3CC3)n2CCN1Cc1ccco1 96201293 OLKTUAQANQQTFY-LBPRGKRZSA-N 314.389 2.079 0 40 DEAB C[C@H]1CN(C(=O)CCS(C)(=O)=O)CC[C@H]1c1ccccc1 96425575 ATLZDAVLMVAQCE-DZGCQCFKSA-N 309.431 2.073 0 40 DEAB COc1ccc([C@H](C)NC(=O)NC[C@@H]2CC[C@@H](O)C2)cc1F 248975096 TZFOWIJYPVWQNP-DMDPSCGWSA-N 310.369 2.356 0 40 DEAB C[C@@]1(O)CCN(C(=O)c2ccccn2)C[C@H]1Oc1ccccc1 257214646 CMTYMKXOZMLTFZ-SJLPKXTDSA-N 312.369 2.126 0 40 DEAB NC(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)n1 542870255 HRRIOSUDHKUJOO-UHFFFAOYSA-N 309.247 2.452 0 40 DEAB C[C@@]1(c2cc[nH]n2)CCCN(S(=O)(=O)c2ccc(F)cc2)C1 257301436 RYKNVUSZUATJCF-OAHLLOKOSA-N 323.393 2.291 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccncc2)C[C@@H]1c1ccccc1 257244905 INHXOZLMXDLTTF-QGZVFWFLSA-N 309.369 2.127 0 40 DEAB Cc1ccc(F)cc1NS(=O)(=O)c1c(C)nn(C)c1F 252499865 SHAJARPEFRNRDU-UHFFFAOYSA-N 301.318 2.116 0 40 DEAB O=C(c1ccccn1)N1CCC(c2ccnc3ccnn23)CC1 257339154 ZAKOHEBROPOOCB-UHFFFAOYSA-N 307.357 2.144 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3scnc3C)CCO2)nc(C)n1 257308690 TXSNACXMRWOFRX-ZDUSSCGKSA-N 318.402 2.072 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H](Cc2ccn[nH]2)C1 257292303 QKWPSNYHOSRAPG-LBPRGKRZSA-N 309.373 2.381 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H](c2cnccn2)C1 257335739 YLPRCXDKEVHSPM-GFCCVEGCSA-N 307.357 2.373 0 40 DEAB CC(=O)NCc1cc([C@@H]2CCCN2c2cc(C)ncn2)ccn1 257286678 PMNMCXROCYXANK-INIZCTEOSA-N 311.389 2.158 0 40 DEAB O=C(c1cnccn1)N1CCO[C@@H](Cc2cccc(Cl)c2)C1 257269942 MSBKEODUXDXTOG-AWEZNQCLSA-N 317.776 2.214 0 40 DEAB Cc1ccsc1CN1CCO[C@H](c2nccnc2N(C)C)C1 257199828 AAYMEXGLRKYYKN-ZDUSSCGKSA-N 318.446 2.486 0 40 DEAB CCOC(=O)[C@@H]1C[C@H]2CC(=O)C[C@@H](C1)N2C(=O)OC(C)(C)C 261507620 KHUPXDHFHJDBPZ-ZSBIGDGJSA-N 311.378 2.297 0 40 DEAB COc1ccc(CCNC(=O)NCC[C@@H](O)c2ccoc2)cc1 90613364 ZFHWZZXAKLCMKT-MRXNPFEDSA-N 318.373 2.254 0 40 DEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccoc3)C2)c1F 390827552 HNUABJAMBYHING-NSHDSACASA-N 305.309 2.065 0 40 DEAB CC(C)[C@H](NCC(=O)N1CCCCC1)[C@H](O)c1ccccc1 390834632 JLESNJIVHSFKKF-ZWKOTPCHSA-N 304.434 2.347 0 40 DEAB CN1c2ccc(NC(=O)c3cccs3)cc2N(C)S1(=O)=O 390826512 NDEWEADZVJJTHO-UHFFFAOYSA-N 323.399 2.131 0 40 DEAB O=C1CCCN1c1ccc(OCc2cn3cccnc3n2)cc1 58358225 UKEKPQBBBOASMC-UHFFFAOYSA-N 308.341 2.435 0 40 DEAB Cn1cc(Br)cc(NC(=O)OC(C)(C)C)c1=O 888088156 YZCQHYOYNWJJBM-UHFFFAOYSA-N 303.156 2.495 0 40 DEAB O[C@H](CN1CCn2cccc2[C@@H]1c1ccccc1)Cn1cccn1 106788704 BEXNBAYDUZJYNH-MJGOQNOKSA-N 322.412 2.151 0 40 DEAB Cc1nc(C)c(Cn2cncc(Br)c2=O)s1 95414758 TXRZLYNNNQEICO-UHFFFAOYSA-N 300.181 2.127 0 40 DEAB COc1ccc(Nc2nc(C)cc(N3CCOCC3)n2)cc1 9146846 VAWKNZTXLWOCOW-UHFFFAOYSA-N 300.362 2.374 0 40 DEAB Cc1cc(Br)cc(C(=O)NCCn2cnnc2C)c1 134404679 GBTAKBQGLXLGAY-UHFFFAOYSA-N 323.194 2.087 0 40 DEAB CN(CCO)c1ncc(-c2nc3cc(Cl)ccc3o2)cn1 5509838 XCMIRQNKVINZIA-UHFFFAOYSA-N 304.737 2.367 0 40 DEAB O=C1N=CN=C2C=CC(Cl)=C(I)[C@H]12 5566496 VETDWNNPSDNIPZ-ZCFIWIBFSA-N 306.490 2.067 0 40 DEAB C[C@H](O)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 12650933 CTTIQIOTCUBWFN-HOCLYGCPSA-N 306.406 2.100 0 40 DEAB COc1ccc(OCC(=O)Nc2ccc(CC(=O)O)cc2)cc1 13439706 ZFESEXHTZVRNRO-UHFFFAOYSA-N 315.325 2.340 0 40 DEAB CC(=O)N1CCCc2cc(S(=O)(=O)N[C@H](C)C(C)C)ccc21 15327469 VKEBRIOJXPREKK-GFCCVEGCSA-N 324.446 2.309 0 40 DEAB CCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 16601486 GVRVPNORDSQQAF-CYBMUJFWSA-N 324.446 2.390 0 40 DEAB Cc1c(C(=O)NCCN)sc2nc(C(F)(F)F)ccc12 158732582 DGGPYPZWHZSLJL-UHFFFAOYSA-N 303.309 2.312 0 40 DEAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1ocnc1-c1ccccc1 529864837 YOIVZABUVNRZJC-ZDUSSCGKSA-N 313.357 2.034 0 40 DEAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2nnco2)nn1 1888842891 ZBTWZOCMPHACPW-FUNVUKJBSA-N 316.409 2.327 0 40 DEAB Cc1nnc(N2CC(NC(=O)Cc3ccccc3Cl)C2)s1 1888854121 WYEAKGQGYZSJGX-UHFFFAOYSA-N 322.821 2.047 0 40 DEAB Cc1cc(SCC(=O)NCCO)c(C)cc1Br 35100891 RGWZICNGYHZKND-UHFFFAOYSA-N 318.236 2.267 0 40 DEAB Cc1cc2c(N3CC(Cn4ccnc4C(C)C)C3)nccn2n1 2087139494 XDMQFXCMZBPDNJ-UHFFFAOYSA-N 310.405 2.494 0 40 DEAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]21 1565546775 AEVCCYUEXVLNFZ-UKRRQHHQSA-N 316.449 2.038 0 40 DEAB COc1cccc(-c2noc(C(=O)NCc3cccnc3)n2)c1 1428161 PKYWIBQGWCGEKE-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB Cc1n[nH]c(SCC(=O)N(c2ccccc2)C(C)C)nc1=O 5154732 MCQHJYHPQYVMHY-UHFFFAOYSA-N 318.402 2.007 0 40 DEAB COC[C@](O)(CNC(=O)Nc1cccs1)c1ccccc1 575607511 MJYPMGSSYGBERN-OAHLLOKOSA-N 306.387 2.404 0 40 DEAB CC(=O)N1CCC(CNC(=O)N(C)CCc2ccccc2)CC1 105314212 BQQNELJTELEURQ-UHFFFAOYSA-N 317.433 2.129 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(-c2ccco2)on1 50274436 KDJHNDTZNIHCRL-OAHLLOKOSA-N 323.352 2.347 0 40 DEAB COC(=O)c1ccc(NC(=O)c2cnn(C)c2-n2cccc2)cc1 30809916 XAJHOZBDWPFIQY-UHFFFAOYSA-N 324.340 2.250 0 40 DEAB COCCn1c(S)nc2ccc(Br)cc2c1=O 100449243 AEHQTSXPPYYFGO-UHFFFAOYSA-N 315.192 2.094 0 40 DEAB Cc1cccc(N2C[C@H](C(=O)Nc3cnn(C)c3)CC2=O)c1C 40512527 RGOMMCZCMQEYRQ-CYBMUJFWSA-N 312.373 2.029 0 40 DEAB CC(C)c1nnc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)o1 40512963 KFIDMXYKQXMFMD-UHFFFAOYSA-N 324.410 2.339 0 40 DEAB CC1(C)CN=C(N2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)S1 101541081 JBCQNOHTDAGFOW-VXGBXAGGSA-N 307.463 2.058 0 40 DEAB CCC1=NN(C(=O)Cc2ccccc2)[C@@](O)(c2ccncc2)C1 871735 UUBFITKUDCIYOB-SFHVURJKSA-N 309.369 2.468 0 40 DEAB C[C@@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1ccnc1 52360679 ODFBRSVCYOATLI-SWLSCSKDSA-N 303.337 2.183 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@@H]1C 6086705 GEVGUBGXFJVHDY-NFAWXSAZSA-N 313.401 2.337 0 40 DEAB CCCNC(=O)CSc1nnc(CCc2ccccc2)n1C 6879723 JDYTXVWFXDJBJB-UHFFFAOYSA-N 318.446 2.219 0 40 DEAB COc1ccccc1NC(=O)N[C@@H](C)C(=O)NC1CCCC1 58008170 PNDCAJLDNYOAPJ-NSHDSACASA-N 305.378 2.264 0 40 DEAB COc1ccc(-c2noc(CNC(=O)c3cccnc3)n2)cc1 33544243 PLSKETLTFKWKPA-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB CC[C@H]1CCCN(C(=O)[C@H](Cc2ccccc2)n2cnnn2)C1 41881096 PWJJOBRNOOPXQN-HOCLYGCPSA-N 313.405 2.106 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN(C)C2CCCC2)cc1 42122573 IBXABLMOLHOJIB-MRXNPFEDSA-N 306.406 2.259 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(F)cc1)CC2=O 20800616 YHEYGGDLKXAMEO-JTQLQIEISA-N 315.300 2.213 0 40 DEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccoc1 47087609 CTWIOBBEEJQBQQ-CYBMUJFWSA-N 302.330 2.261 0 40 DEAB NC(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2O)cc1 23100490 SQCFUVNCHONVKW-UHFFFAOYSA-N 320.732 2.162 0 40 DEAB CCc1ccc(CN2CCC(n3cc(C[C@H](C)O)nn3)CC2)o1 23312057 NOGHLNNUPCPGTR-ZDUSSCGKSA-N 318.421 2.194 0 40 DEAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2sccc2C)C1 57315181 RVLZLHSQAOMSQX-OLZOCXBDSA-N 324.446 2.060 0 40 DEAB CCc1ccc([C@@H](NC(=O)N2CCNC(=O)CC2)C(C)C)cc1 105089422 FLTBVTHQPWHCPX-KRWDZBQOSA-N 317.433 2.478 0 40 DEAB CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCCCCC1 47444062 HBVLCHYDXWWXBF-UHFFFAOYSA-N 313.405 2.386 0 40 DEAB O=C(c1cnns1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 47623513 CGFURASNMZUAJG-NSHDSACASA-N 317.370 2.287 0 40 DEAB CCn1cc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)cn1 43644965 ZDLBQZQBUCRQKC-CYBMUJFWSA-N 310.304 2.036 0 40 DEAB O=C(Nc1ccc2ccccc2c1)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102194118 DAGAISYKHRRWLQ-JONQDZQNSA-N 309.321 2.433 0 40 DEAB CCc1cc2c(=O)n(CC(=O)N3CCCCCC3)cnc2s1 1980761 BPBHPKGQHYNQSD-UHFFFAOYSA-N 319.430 2.423 0 40 DEAB CCNC(=O)COc1ncnc2sc3c(c12)CC[C@H](C)C3 3288865 QEDJTWZVDBINMX-VIFPVBQESA-N 305.403 2.331 0 40 DEAB COc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1N 3210859 XHQXINKGJVEXNI-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB C[C@H]([C@@H](O)c1ccccc1)N(C)S(=O)(=O)c1cccs1 3226917 AOUHEPNDKSJKCS-BXUZGUMPSA-N 311.428 2.491 0 40 DEAB C[C@H]1CCc2c(sc3ncn4nc(CCC(=O)O)nc4c23)C1 2196685 USSBEJBKVNKHMF-QMMMGPOBSA-N 316.386 2.481 0 40 DEAB Cc1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1 36103382 MIZYHRLLWHPVOZ-UHFFFAOYSA-N 302.418 2.179 0 40 DEAB CNC(=O)c1ccc(CNC(=O)[C@H](C)c2c(C)noc2C)cc1 58331877 SEHUGCCZAGDSER-SNVBAGLBSA-N 315.373 2.071 0 40 DEAB COc1c(CNCc2ccc(OCC3CC3)nc2)c(C)nn1C 58421074 RKDXVUBEYFUVEC-UHFFFAOYSA-N 316.405 2.211 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1OC 3330120 YCOMWPDGAJYRQU-UHFFFAOYSA-N 321.354 2.283 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(Cl)cc1 28946998 NVJNIHFOLYWOMW-KBPBESRZSA-N 319.792 2.458 0 40 DEAB CCCCOc1ccc([C@H]2CC(=O)N=C3N=CNN32)cc1OC 409379045 UQOOWTDMZLXSQQ-GFCCVEGCSA-N 316.361 2.050 0 40 DEAB CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCO1 69873698 NNCFWGUXCOSYGQ-QWHCGFSZSA-N 314.426 2.221 0 40 DEAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cc(C)ccc1F 69844698 UXYHFDJNVPOZBW-CYBMUJFWSA-N 310.394 2.128 0 40 DEAB C[C@@H]([C@@H](C)NCC(=O)Nc1cc(C(C)(C)C)no1)n1cccn1 69816127 RHIXNAFZZSHQRO-NEPJUHHUSA-N 319.409 2.346 0 40 DEAB O=C(CCC1CCCC1)NN1C(=O)NC2(CCCCC2)C1=O 13985468 SKLSNVOVJDHRRG-UHFFFAOYSA-N 307.394 2.243 0 40 DEAB CC(C)c1ncncc1C(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 65415371 VKJGRYJQMPMBDH-OKILXGFUSA-N 304.438 2.308 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)Cc1coc2cc(OC)ccc12)C(N)=O 70698517 UCTICIVQQFELBF-MGPLVRAMSA-N 318.373 2.000 0 40 DEAB C[C@H](OC(=O)C1CCC1)C(=O)Nc1ccc2c(c1)OCCO2 28632755 TUCIZYQEEQZHQM-JTQLQIEISA-N 305.330 2.128 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1 14108762 DKIQYDZLKYNLMP-UHFFFAOYSA-N 300.314 2.218 0 40 DEAB O=C(CNC(=O)C1CC1)N[C@H]1CCCC[C@@H]1Cc1ccccc1 65621019 MWQMVWJOTDHRJA-SJORKVTESA-N 314.429 2.430 0 40 DEAB Cc1cc(C)c2c(c1)N(C(=O)[C@@H]1CCS(=O)(=O)C1)CCC2 66476544 LGMDTLIVRLLPKV-CYBMUJFWSA-N 307.415 2.017 0 40 DEAB CN(C)[C@H]1Cc2ccccc2N(S(=O)(=O)c2cccs2)C1 67244483 PQBBDJFPHDJSAV-ZDUSSCGKSA-N 322.455 2.430 0 40 DEAB O=C(Nc1ccsc1C(=O)N1CCCC1)c1cnccn1 67335732 CHUJVSUYHRHVPI-UHFFFAOYSA-N 302.359 2.026 0 40 DEAB Cc1cc(C(=O)CCC(=O)N2CCC[C@@H](C(N)=O)C2)c(C)s1 7989558 FHLYEVLNLBTGHU-GFCCVEGCSA-N 322.430 2.052 0 40 DEAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccco2)cc1 20152410 FUWQRJHIGHWSOG-UHFFFAOYSA-N 304.327 2.034 0 40 DEAB CN(C)C(=O)CC1CCN(C(=O)NC[C@H]2CC=CCC2)CC1 96004605 VCIVTCRXTNISMG-HNNXBMFYSA-N 307.438 2.243 0 40 DEAB CCc1cc2c(S[C@@H](C)C(=O)NC(=O)NC)ncnc2s1 9535705 JNXDLLUJSFWBAL-ZETCQYMHSA-N 324.431 2.190 0 40 DEAB O=C(c1c[nH]c2ccccc2c1=O)N(CCO)Cc1ccccc1 75636596 QNBZPCKRUVUMMI-UHFFFAOYSA-N 322.364 2.163 0 40 DEAB CC(C)c1nc(CNCc2ccc(OCC(N)=O)cc2)cs1 71837017 IAQZUDFEFAEVCE-UHFFFAOYSA-N 319.430 2.420 0 40 DEAB O=C1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CCN1 71839431 ZQIUDISZLWUSRE-UHFFFAOYSA-N 315.200 2.275 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1c(F)cccc1F 71830109 BNFXQRVQLBYYND-SFEFJYQLSA-N 308.328 2.090 0 40 DEAB CCCOC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C 71922115 IHXRNPLBLHQTJO-JTQLQIEISA-N 306.387 2.367 0 40 DEAB CNC(=O)Cn1ccc2ccc(NC(=O)[C@H](C)CSC)cc21 75805643 HZPCEXCMSGOWAB-LLVKDONJSA-N 319.430 2.325 0 40 DEAB Cc1cn2nc(N[C@H]3CCc4nc(C(C)C)nn4C3)sc2n1 72276374 LROJMHJCOUNSPF-JTQLQIEISA-N 317.422 2.241 0 40 DEAB CN(C)C[C@H]1CN(Cc2ccc(F)c3cccnc23)CCO1 72267646 OBVUZMLNISAKOS-AWEZNQCLSA-N 303.381 2.136 0 40 DEAB Cn1cc(CC(=O)N[C@H]2CCc3nccn3C2)c2ccccc21 97197571 MVOGCDZRDFJZNJ-AWEZNQCLSA-N 308.385 2.049 0 40 DEAB Cc1nc(C)c(COc2ccc(C(=O)NCCO)cc2)s1 76062743 YHYUOYDWEZZNNV-UHFFFAOYSA-N 306.387 2.061 0 40 DEAB O=C(COc1ccccc1F)N1CCCC[C@@H]1c1nc[nH]n1 95456582 ZSWSGFHYZRAVAV-GFCCVEGCSA-N 304.325 2.076 0 40 DEAB c1coc(-c2noc(CN3CCc4c(ncn4C4CC4)C3)n2)c1 78783586 ABPNANKBDIPRPG-UHFFFAOYSA-N 311.345 2.419 0 40 DEAB CC[S@](=O)CCNC(=O)Nc1nc(-c2ccccc2)ns1 78813912 VMFXPFOQPNGNSM-OAQYLSRUSA-N 324.431 2.095 0 40 DEAB O[C@@H](COc1ccc(F)cc1Cl)COC1CCOCC1 95974859 MFUNTBYSFPTESU-LLVKDONJSA-N 304.745 2.414 0 40 DEAB O=C(Cc1cccc(F)c1)NCCc1cccc(C(=O)O)c1 95953335 RTNIULFZKMPBAF-UHFFFAOYSA-N 301.317 2.425 0 40 DEAB O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(-c2ncon2)cc1 95980998 RXZMZVUPFOOLDR-MRXNPFEDSA-N 323.352 2.070 0 40 DEAB COc1ccccc1C[C@H](C)NCC1(N(C)C)CCOCC1 95968015 OQPUQKATWNPZGW-HNNXBMFYSA-N 306.450 2.327 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)NC[C@H]2CCC[C@@H]2O)c1 74203732 GIMHBMVYAIHBCH-BJJXKVORSA-N 306.406 2.086 0 40 DEAB CCc1nnc([C@H](C)N2CCN(C3=NCC(C)(C)S3)CC2)o1 85821534 BZQQIKBYELOAPK-NSHDSACASA-N 323.466 2.192 0 40 DEAB O=C(CC(F)(F)F)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 89313735 VLZWXRDQLFPXJY-LBPRGKRZSA-N 314.307 2.104 0 40 DEAB CN(C)c1ccc(C(=O)N2CCC3(CC2)Cc2nccn2C3)cc1 306139360 SVIRANZEZOLYFC-UHFFFAOYSA-N 324.428 2.428 0 40 DEAB COc1ccc(-n2nc(C(N)=O)nc2-c2ccc(F)cc2)cc1 408693712 CIAQVZYCJWGBCX-UHFFFAOYSA-N 312.304 2.181 0 40 DEAB CSCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)O 5450947 YPMYDSHISNOZST-CYBMUJFWSA-N 306.387 2.033 0 40 DEAB biogenic,in-vitro COc1ccccc1OCC(=O)NC[C@@](C)(O)c1ccccc1 70639597 LFTVPVFJDQGSQI-GOSISDBHSA-N 315.369 2.098 0 40 DEAB CCOc1ccc(NC(=O)N[C@@H]2CCCNC2=O)cc1Cl 78394867 NCSVURSLGPKEHO-LLVKDONJSA-N 311.769 2.139 0 40 DEAB Cc1[nH]ccc(=O)c1OCC(=O)Nc1ccc(F)c(Cl)c1 36274342 NAIDFYQLHMILLV-UHFFFAOYSA-N 310.712 2.493 0 40 DEAB CC(C)OCc1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 72264802 BXUANUXGDQGDGX-AWEZNQCLSA-N 313.419 2.069 0 40 DEAB CC(C)(C)OC(=O)N1CCC([C@@](O)(CN)c2ccccc2)CC1 72208122 UKSVOIZZSYDZTQ-GOSISDBHSA-N 320.433 2.480 0 40 DEAB Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1nnc2ccccn12 79336362 FPTXSWKNQSLLJH-VIFPVBQESA-N 319.752 2.099 0 40 DEAB COc1cccc(-c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)n[nH]2)c1 32610845 MTKYFCYANUAAQF-TXEJJXNPSA-N 315.373 2.335 0 40 DEAB CC(=O)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239215 NGTDMYYNKFOPFW-UHFFFAOYSA-N 307.375 2.467 0 40 DEAB COc1cc(Nc2cc(Cl)nc(N)n2)cc(OC)c1OC 43534346 APIFTKKHPLSZNS-UHFFFAOYSA-N 310.741 2.482 0 40 DEAB Cc1nnc(NC(=O)c2cccnc2O[C@H]2CCSC2)s1 225727382 LRQPMXLQIBAOMK-VIFPVBQESA-N 322.415 2.378 0 40 DEAB COc1cccc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)c1 130949458 KPERJVMWKJFTHY-OAHLLOKOSA-N 311.385 2.489 0 40 DEAB O=S(=O)(Cc1ccc(F)cc1)NCCOCc1ccccc1 80800023 ZPMCXYARFDBUEW-UHFFFAOYSA-N 323.389 2.462 0 40 DEAB COC(=O)[C@@H]1CCCC[C@H]1NC(=O)c1cccc(N(C)C)c1 84810522 VRGAROPLKDDAIK-HUUCEWRRSA-N 304.390 2.214 0 40 DEAB CCN1CCN(C(=O)[C@@H](C)Oc2cccc3c2CCCC3)CC1 224226523 WJHPPGWAAGSZDY-OAHLLOKOSA-N 316.445 2.497 0 40 DEAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCCN(C)C 222897330 FXNZWDMHHRQUFA-AWEZNQCLSA-N 304.434 2.401 0 40 DEAB CC(C)(C)CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 225970619 VOEJMDQEUWKADM-UHFFFAOYSA-N 318.826 2.487 0 40 DEAB Cn1cc([C@](C)(O)CN[C@@H]2CCC[C@H](C(F)(F)F)C2)cn1 130043142 WDRLIRPRTUFYGV-CYZMBNFOSA-N 305.344 2.338 0 40 DEAB COC(=O)[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2O1 44866303 DIYVETPIHHWBKN-OAHLLOKOSA-N 315.300 2.407 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@](C)(O)c2ccc(C)o2)cn1 96440088 MRFOJVXUTCSAAQ-KRWDZBQOSA-N 317.389 2.041 0 40 DEAB Cc1nnc(S[C@@H](C)c2nc3ccccc3o2)n1CC(N)=O 96496012 CAJDKUMTUHADOE-QMMMGPOBSA-N 317.374 2.066 0 40 DEAB CCOc1cc2c(cc1CNC(=O)C(C)(C)C(=O)O)O[C@H](C)C2 576945830 CCRAZTGCMHAHLQ-SNVBAGLBSA-N 321.373 2.136 0 40 DEAB Cc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@H]2C1 96040980 NEVOQVPCNHNNTH-XIRDDKMYSA-N 302.418 2.063 0 40 DEAB CC(C)(CNC(=O)CCn1ccccc1=O)c1cccc(F)c1 96411085 YGYVTSXPOMWHHT-UHFFFAOYSA-N 316.376 2.472 0 40 DEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)NCCCOCc1ccco1 96421452 DXWXUUNQMUMNBY-ZNMIVQPWSA-N 322.405 2.299 0 40 DEAB C1CC(N2CC[C@H]3OCC[C@@]3(COCC3CCOCC3)C2)C1 96110364 JLCQNIWJFOFPDT-MSOLQXFVSA-N 309.450 2.463 0 40 DEAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CNC(=O)OCC(F)(F)F 96411695 PRNHAYNUPWTOKN-MXWKQRLJSA-N 322.327 2.455 0 40 DEAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccco3)C2)O1 96052301 ZMLABWUUYFWIMN-ZWKOTPCHSA-N 322.449 2.370 0 40 DEAB O=C(CCc1cc(Cl)no1)N1CCNC[C@@H]1c1ccccc1 257204319 ATYKCBSCSRWKRT-CQSZACIVSA-N 319.792 2.434 0 40 DEAB Cc1noc(C)c1CN1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 251998391 LLZOQKRLXLULLF-ULQDDVLXSA-N 306.406 2.450 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2ccnc(O)n2)C1 257199644 AAGGOKXYGKSWFZ-LBPRGKRZSA-N 301.321 2.341 0 40 DEAB CCS(=O)(=O)c1ccc(N2CC[C@H]3OCCC[C@H]3C2)cc1 252486157 HIGJINHHZWKGBF-XJKSGUPXSA-N 309.431 2.486 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)n1 257226531 FLAFSWDBTFUYJD-ZDUSSCGKSA-N 307.300 2.210 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@H]1c1nc(C)cn1C 257298713 RMZCDIJSEATVGS-AWEZNQCLSA-N 314.389 2.500 0 40 DEAB O[C@@H](CNc1ncc(Br)cn1)Cc1ccccc1 67372111 QFNUCKMYZUMGAE-GFCCVEGCSA-N 308.179 2.255 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@](O)(c1ccoc1)c1ccco1 390826912 REYUXHZNWGKUQH-INIZCTEOSA-N 316.313 2.143 0 40 DEAB Cc1ccc(OC(=O)CSc2nnnn2C2CC2)c(C)c1 47441687 SIIIYLDSFLDLCK-UHFFFAOYSA-N 304.375 2.323 0 40 DEAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)CSc1ncn[nH]1 48781079 SLLSOGYNDBRSBO-VIFPVBQESA-N 310.810 2.298 0 40 DEAB Cc1ccccc1C[C@H](C)NC(=O)CCNC(=O)[C@@H]1C[C@@H]1C 55557233 PSTRPMNAWBWISS-OFQRWUPVSA-N 302.418 2.205 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H](C)C(C)C)cc1 58191606 LLAGIVDXCSQJMV-LBPRGKRZSA-N 324.446 2.244 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)NC[C@H]1CCCOC1 56402242 OXBBXOFBWBHEJB-OAHLLOKOSA-N 306.406 2.408 0 40 DEAB CCc1ccc(-c2noc(CNC(C)(C)C(=O)OC)n2)cc1 70018982 RFCIRTLABKVSAW-UHFFFAOYSA-N 303.362 2.340 0 40 DEAB COc1ccc(CCN2CCN(c3nccc(C)n3)CC2)cc1 301295083 WVWPZBNODMMDRK-UHFFFAOYSA-N 312.417 2.158 0 40 DEAB Cc1nccc([C@@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 585145867 NNBOTMNBWHLUOR-GFCCVEGCSA-N 317.418 2.060 0 40 DEAB CCCc1ncc(CN2CCCC[C@H]2CCNC(C)=O)cn1 19745846 KZWTXKSFQSYVBV-INIZCTEOSA-N 304.438 2.310 0 40 DEAB C[C@@H](CN[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[S@](C)=O 167472096 BHHOWADKIVUGPW-OSRJUQGESA-N 318.483 2.133 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2cccc3nccn23)CC1 36220540 OANYJDSVDHTBDP-UHFFFAOYSA-N 302.378 2.391 0 40 DEAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 7608936 NITYZNIGJIEVDD-KRWDZBQOSA-N 308.381 2.352 0 40 DEAB CC(=O)Nc1ncc(-c2cncc([C@H]3CCCN3C)n2)s1 1848357224 COLCYZSXXPIQJI-GFCCVEGCSA-N 303.391 2.325 0 40 DEAB Cc1ccccc1Cn1cnc2c(nnn2-c2ccccc2)c1=O 4266692 BPCSFUQCERTRJC-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB C[C@@H]1CCc2c(C(=O)NCc3nnc4n3CCC4)csc2C1 40486224 DZKPQDOIDHTXAN-SNVBAGLBSA-N 316.430 2.341 0 40 DEAB Cc1nc2nc(SCC(=O)NC3CCCC3)nn2c(C)c1C 40539728 NBSSRVDQWQVQHB-UHFFFAOYSA-N 319.434 2.200 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40543505 INRMFPVAIFJFIE-SECBINFHSA-N 323.809 2.442 0 40 DEAB O=C(NCCc1ccccn1)c1cccc(N2CCOC2=O)c1 40548491 WNJLRHNLLDHQQD-UHFFFAOYSA-N 311.341 2.011 0 40 DEAB CCc1ccc(OCC(=O)Nc2ccc(-n3cncn3)nc2)cc1 29108914 UIBUKRLFCGFRTM-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB CC(C)NC(=O)[C@H](C)N1c2cccc3cccc(c23)S1(=O)=O 582426 KLQRYTZNVDCMLR-NSHDSACASA-N 318.398 2.262 0 40 DEAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 69738833 DAJPPLPQWCTPGV-CYBMUJFWSA-N 319.430 2.420 0 40 DEAB CC1CCN(C[C@@H](C)OC(=O)[C@H]2COc3ccccc3O2)CC1 808191 RUYJYMWKKRHAKJ-RHSMWYFYSA-N 319.401 2.490 0 40 DEAB CCc1nnsc1C(=O)NCCCc1nc2ccccc2[nH]1 21065880 ZSNKPRMAARSALT-UHFFFAOYSA-N 315.402 2.339 0 40 DEAB O=C(CCNC(=O)c1ccco1)N[C@@H]1CCOc2ccccc21 32722159 QWFKDQNMWFTOFW-CYBMUJFWSA-N 314.341 2.040 0 40 DEAB CC1=NO[C@@H](c2ccccc2Cl)[C@@H]1C(=O)N1CCOCC1 4942471 PDRXQUVRGPKWEP-KGLIPLIRSA-N 308.765 2.262 0 40 DEAB COc1ccc(NC(=O)C(=O)NCC2CCCCC2)c(OC)c1 6145644 LHBMVTDSHKFSMY-UHFFFAOYSA-N 320.389 2.339 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c(F)c1 6383795 KNNDFWBEUWFZAU-UHFFFAOYSA-N 312.300 2.369 0 40 DEAB O=C(COC(=O)c1c[nH]c2ccccc12)NCC(F)(F)F 6605752 WWPIYNLRHCLONA-UHFFFAOYSA-N 300.236 2.003 0 40 DEAB O=C(CCc1nc(-c2cccs2)no1)NC[C@@H]1CCCO1 21785749 FUORKZARUBGLAT-JTQLQIEISA-N 307.375 2.026 0 40 DEAB Cn1ncc2c(O)nc(CN3CC[C@@H]4CCCC[C@@H]4C3)nc21 52799126 AHNKIUAHWJMHMN-NWDGAFQWSA-N 301.394 2.081 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2sccc2c1=O 8312955 QTJZNQZLDJSNGX-PWSUYJOCSA-N 305.403 2.153 0 40 DEAB CN1CCO[C@@H](CNCc2ccc(F)c(Br)c2)C1 69371158 VHMIXDHMKFDRPA-NSHDSACASA-N 317.202 2.008 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N(C)C)nc2)c1C 22395459 NNHDJJWBCAGEKE-UHFFFAOYSA-N 316.361 2.131 0 40 DEAB Cc1nn2c(=O)cc(CN3CCc4ccccc4C3)nc2s1 43272788 OIMWKXAWEWFNRU-UHFFFAOYSA-N 312.398 2.018 0 40 DEAB Cc1ccc(-n2nnc(C(=O)Nc3ncccc3O)c2C)cc1 55286303 FIKNWFKQRVDWMM-UHFFFAOYSA-N 309.329 2.237 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2sc(C)nc2C)C1 56022521 SQOONERANVGXLY-MFKMUULPSA-N 309.435 2.196 0 40 DEAB CCCCS[C@H](C)C(=O)N(C)CC(=O)Nc1cc(C)on1 57444470 LFHIRAMCPIMOEF-LLVKDONJSA-N 313.423 2.302 0 40 DEAB CC(C)C[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1 3290499 SDGZURWWSWFMPL-ZDUSSCGKSA-N 311.813 2.082 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@@H]2COCC1CCCC1 306129467 IECCIQCKHDPFAK-FVQBIDKESA-N 307.434 2.467 0 40 DEAB C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CCO1 44966564 GQTGVUVSXOEHBQ-ZIAGYGMSSA-N 323.462 2.315 0 40 DEAB COc1ccc(N(C)C(=O)Cc2cn3ccsc3n2)cn1 58343208 PZJFBGPMEAPCIF-UHFFFAOYSA-N 302.359 2.005 0 40 DEAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc2c(c1)OCCO2 20140746 ULNFLFZRYHQGFV-UHFFFAOYSA-N 315.281 2.114 0 40 DEAB O=C(O)c1cccc(C(=O)N2CCN(C3CCCCC3)CC2)c1 2456721 OGZIGRANVIIKCH-UHFFFAOYSA-N 316.401 2.475 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)N1CCOC[C@@H]1C 48275268 HIIDFELHSLFTBU-LBPRGKRZSA-N 319.430 2.147 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccnn1C1CCCC1 8394689 UNPNDQRSEJCWLB-NSHDSACASA-N 316.361 2.348 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)OCC(=O)N2 48300740 TVYYHVIMJCSDHU-NSHDSACASA-N 314.341 2.362 0 40 DEAB OCCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 62640040 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2.192 0 40 DEAB NC(=O)C[C@H]1CCCCN1c1ccnc(Cc2ccccc2)n1 97379219 BKCDSMWRCUAMPY-OAHLLOKOSA-N 310.401 2.302 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2nccnc2N)C12CCCCC2 76023010 BIDFMQYAACDZKX-CHWSQXEVSA-N 318.421 2.259 0 40 DEAB O=C(Cn1cncn1)Nc1nc2ccccc2n1C1CCCC1 76933827 PNCISYZVIXGEES-UHFFFAOYSA-N 310.361 2.382 0 40 DEAB O=C(O)CC1(NC(=O)[C@@H]2CCCc3ccccc32)CCOCC1 95424856 WLQHTDIITODLQH-OAHLLOKOSA-N 317.385 2.247 0 40 DEAB C[C@@H]1CCN(c2ccc(NC(=O)NCC3(CO)CC3)cc2)C1 95405977 BOPRDDVRVXYSPI-CYBMUJFWSA-N 303.406 2.427 0 40 DEAB c1ccc(N2CCC(N3CCN(c4cccnn4)CC3)CC2)cc1 95457083 YSKOTWMCMDXSLH-UHFFFAOYSA-N 323.444 2.268 0 40 DEAB Cc1c(Br)cccc1C(=O)NCc1cnn(C)c1 88445517 XQFYKWIWGBACMZ-UHFFFAOYSA-N 308.179 2.421 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)Cc2c(F)cccc2Cl)C1 95950668 MVISCZYEOVJUFI-NSHDSACASA-N 312.772 2.149 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1cnccn1 95978292 CZNWTMPZKJLJCW-JTQLQIEISA-N 320.755 2.278 0 40 DEAB COC(C)(C)CNC(=O)NC[C@](C)(O)c1ccccc1Cl 95943295 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O=C(c1ccncc1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186426 NRNUOCBNYOBFOV-IRXDYDNUSA-N 321.380 2.492 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCOC1 96496094 RRUDBVJBGNYWNW-MNOVXSKESA-N 312.772 2.211 0 40 DEAB Cc1cc(NC(=O)N2CC[C@H](O)C2)nn1-c1ccc(Cl)cc1 96501798 DDMUPMLZOOJHLI-ZDUSSCGKSA-N 320.780 2.433 0 40 DEAB Cc1occc1C(=O)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96080769 IAURWPIHLYJAMY-BBRMVZONSA-N 310.353 2.323 0 40 DEAB CCC(=O)N1CCC[C@]2(C[C@@H](OCc3ccncc3)CO2)C1 96107312 ZZBVDFSLHANDNU-WBVHZDCISA-N 304.390 2.158 0 40 DEAB CS[C@H](C)CN[C@H](C)c1ccc(NS(C)(=O)=O)cc1 90726858 ICIOTACAEHQITJ-GHMZBOCLSA-N 302.465 2.460 0 40 DEAB Cc1nc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)cs1 96053798 LAABDHUCMMQKMQ-HUUCEWRRSA-N 314.458 2.410 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccnc(O)n2)s1 257274313 NKLPVNPMYSSGEN-LLVKDONJSA-N 304.375 2.233 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@H](Cc2[nH]ncc2C)C1 257275799 NQXYZKFJUDYAQO-CYBMUJFWSA-N 314.389 2.217 0 40 DEAB NC(=O)c1cnc([C@@H]2CCCN2C(=O)c2cccc(F)c2)s1 257327864 XDBXZYBBVPNDFV-NSHDSACASA-N 319.361 2.358 0 40 DEAB C[C@H](O)CN1CCN(Sc2nc3ccccc3s2)CC1 255189831 SKDNXVOLQGWCHX-NSHDSACASA-N 309.460 2.302 0 40 DEAB CC(C)[C@H]1CN(C(=O)Cc2nc3ncccn3n2)c2ccccc21 278559602 QICAPUUUUQCORD-CQSZACIVSA-N 321.384 2.453 0 40 DEAB CC(C)C(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575402893 DSZJHVSDAIKNES-AWEZNQCLSA-N 306.431 2.341 0 40 DEAB Cc1cnc(OCCc2cnc3n2CCN(C(C)C)[C@@H]3C)nc1 585098189 RGNGVJRYIFNAHK-CQSZACIVSA-N 315.421 2.388 0 40 DEAB CC(C)N1CCOC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 585105007 XTXCMCOKJVQYED-KRWDZBQOSA-N 306.381 2.289 0 40 DEAB CSCC(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 58014465 LDPQQNZASWQOGM-UHFFFAOYSA-N 322.430 2.379 0 40 DEAB O[C@@H](COCc1cccs1)CN1CCC[C@H](c2ncc[nH]2)C1 95972687 KZNICRHYGRPNPP-UONOGXRCSA-N 321.446 2.228 0 40 DEAB CCc1noc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 85843345 OWSNDTWWLWTPRM-LLVKDONJSA-N 323.418 2.229 0 40 DEAB CC(=O)N1C[C@H](c2ccccc2F)[C@@H](c2cc(O)nc(C)n2)C1 12337960 HCOHJYCQYLAXSK-KGLIPLIRSA-N 315.348 2.359 0 40 DEAB 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Cc1noc(C)c1CN1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 107742886 RRAJQHQFHATRPL-PBHICJAKSA-N 311.385 2.386 0 40 DEAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC[C@H]1CCCO1 21963156 ACNCJQJJASVTOV-OJXHRBAXSA-N 314.385 2.122 0 40 DEAB Cn1ccc(NC(=O)NCc2ccc(-n3ccnc3)c(F)c2)n1 107056502 XBWYDJLBZXBPSD-UHFFFAOYSA-N 314.324 2.067 0 40 DEAB NC(=O)[C@@H](NCc1cccc(Cn2cccn2)c1)c1ccccc1 56207936 QVDWQDUGORHECT-SFHVURJKSA-N 320.396 2.248 0 40 DEAB CN1CC(=O)Nc2cc(C(=O)Nc3ccc4c(c3)CCO4)ccc21 58246985 XLVLKJLFWFKRGS-UHFFFAOYSA-N 323.352 2.262 0 40 DEAB NC(=O)c1ccc(Cl)cc1OCC(=O)NC1CCCCC1 58294886 LQKREKPKPXETRF-UHFFFAOYSA-N 310.781 2.267 0 40 DEAB OCCn1nccc1C1CCN(CCOc2ccccc2)CC1 58297394 IVROXBONSIYLCZ-UHFFFAOYSA-N 315.417 2.134 0 40 DEAB Cc1cc(I)cc2sc(NN)nc12 22125061 LZBPDSRKSWOZOD-UHFFFAOYSA-N 305.144 2.495 0 40 DEAB CN(CCN1CCCCC1)Cc1ccnn1[C@H]1CCCCO1 22916169 STTNLKPRPHQFDP-QGZVFWFLSA-N 306.454 2.500 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NCc1nnc2n1CCCCC2 44914868 JJZOXBNXBFOSTR-GFCCVEGCSA-N 317.393 2.028 0 40 DEAB CCC(=O)NCC(=O)N[C@@H](CC)c1nc(-c2ccccc2)c[nH]1 58394253 SIWHYZCBEUZRHN-ZDUSSCGKSA-N 314.389 2.170 0 40 DEAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc[nH]c1=O 36390719 QAFSFWMCQDRQSQ-UHFFFAOYSA-N 321.336 2.492 0 40 DEAB O=C(c1ccco1)N1CCN(c2ncnc3sccc23)CC1 3319362 CQEFDVDOFGGCOL-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB CC[C@@H](C)NC(=O)CSc1cc(C(N)=O)c2ccccc2n1 12746517 TUBYSUPDGHMHBV-SNVBAGLBSA-N 317.414 2.341 0 40 DEAB COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2C2OCCO2)c1 69393776 MXRMPIPDQFILIK-CQSZACIVSA-N 321.373 2.071 0 40 DEAB CON(C)C(=O)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O 48910385 ZKEBMMCHMRXABM-SECBINFHSA-N 317.172 2.366 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCc2nc(-c3cccnc3)no2)c1 69453360 XOXQQIWZXFVZAV-CHWSQXEVSA-N 312.377 2.376 0 40 DEAB CCOCCO[C@@H](C)C(=O)N[C@H]1CCCOc2ccccc21 69420842 SUDBYTLPGXCXCU-ZFWWWQNUSA-N 307.390 2.458 0 40 DEAB O=C(Nc1ccc(F)cc1F)N(CCO)Cc1cccnc1 69453790 XFXGNVZENAVZTJ-UHFFFAOYSA-N 307.300 2.386 0 40 DEAB COc1cc(CN(C)CCN2CCOC2=O)ccc1SC 69456037 UUBSHSYJUWSMLC-UHFFFAOYSA-N 310.419 2.301 0 40 DEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(Cl)cc1 5100709 ADAMUURMONSFOO-LBPRGKRZSA-N 319.752 2.179 0 40 DEAB O=[S@](Cc1ccc(F)cc1Cl)Cc1nnnn1C1CC1 69588250 ZPWSTQPVRJIXSI-FQEVSTJZSA-N 314.773 2.249 0 40 DEAB O=C(CCc1nc(-c2cccnc2)no1)NCC1CCCC1 65444159 KRUXHSKQOPXQHV-UHFFFAOYSA-N 300.362 2.371 0 40 DEAB Cc1oc(-c2ccco2)nc1CN1CCC[C@H]1Cn1cncn1 69601454 YDAGPCUUACIIIN-ZDUSSCGKSA-N 313.361 2.499 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1 5473473 LALHYIOMFXXIKC-LBPRGKRZSA-N 321.373 2.119 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cn4ccccc4n3)C2)n1 69846267 YGQDTAYGFOAWHP-MRXNPFEDSA-N 324.432 2.455 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)CCc1c[nH]c2ccccc12 18149329 CQDODAIFJAHAEJ-LBPRGKRZSA-N 301.390 2.131 0 40 DEAB Cc1ccc(C)c(CSCC(=O)N[C@H](C)C(=O)N(C)C)c1 69950469 BCYUOCMVCJRHOS-CYBMUJFWSA-N 308.447 2.130 0 40 DEAB Cc1cccc(NC(=O)c2nnn(Cc3ccccc3)c2N)c1 4852126 WJAYCHAJECTFGR-UHFFFAOYSA-N 307.357 2.469 0 40 DEAB Cc1cc(O)n2nc(NC(=O)c3ccc(Cl)cc3)nc2n1 5956966 HMMUFIZKSHDGDN-UHFFFAOYSA-N 303.709 2.044 0 40 DEAB COc1ccccc1C(=O)N1CCn2c1nc1ccccc1c2=O 9053371 QJYFWMFAAGEIIL-UHFFFAOYSA-N 321.336 2.066 0 40 DEAB Cc1n[nH]c(=O)c(C(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@@H]32)c1C 67518496 BWAIYGXOSFVOQF-GDLCADMTSA-N 303.406 2.428 0 40 DEAB Cc1ccc2nc(CSc3n[nH]c(=O)n3C3CC3)cn2c1 7247826 PRVWECKCSJNLJA-UHFFFAOYSA-N 301.375 2.155 0 40 DEAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(N)=O 7844115 DFFPCJBMJCKTNS-QMMMGPOBSA-N 308.432 2.231 0 40 DEAB Cc1ccccc1-n1nnc(C(=O)NCCc2ccccc2)c1N 8992662 GXQIHDHSGAXRDH-UHFFFAOYSA-N 321.384 2.130 0 40 DEAB COc1ccc(C)cc1CC(=O)OCc1ccc(C(N)=O)cc1 16563482 SSBCSMRFBZEBNT-UHFFFAOYSA-N 313.353 2.388 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccccc1N1CCN(C)CC1 9156146 QDCJLFLHNIEKPH-UHFFFAOYSA-N 314.389 2.296 0 40 DEAB Cc1cccc2c1CCN(c1cc(N3CCC[C@@H]3CO)ncn1)C2 75584640 GZXNVQNCIUYSIK-MRXNPFEDSA-N 324.428 2.309 0 40 DEAB Cc1ccc(CCNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)cn1 97049385 XGQDMBUCGATYNH-IRXDYDNUSA-N 316.449 2.058 0 40 DEAB Cc1ccc(NC(=O)COCC(=O)NCc2ccc(C)o2)cc1 9669295 YHCFLMUUVPBKAB-UHFFFAOYSA-N 316.357 2.168 0 40 DEAB CCc1ccc(/C=C/C(=O)Nc2nc(CC(C)=O)ns2)o1 9668240 RKNXXRUKOXPQKG-VOTSOKGWSA-N 305.359 2.477 0 40 DEAB CS(=O)(=O)C[C@@H](NC(=O)Cc1cccs1)c1ccccc1 83984528 UVNBLIDOSUUXJN-CQSZACIVSA-N 323.439 2.193 0 40 DEAB CC(=O)c1cc(Br)ccc1NC(=O)Cn1cccn1 97107077 DLQWDYMZSQUHRD-UHFFFAOYSA-N 322.162 2.487 0 40 DEAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)C[C@H]1CCOC1 95408165 KBFUGVCWKUWTCV-UKRRQHHQSA-N 304.390 2.415 0 40 DEAB Cc1c(Cl)cc(S(=O)(=O)Nc2ncnn2C)cc1Cl 95441052 WDHVGIIDTDFACE-UHFFFAOYSA-N 321.189 2.231 0 40 DEAB C[C@H](Nc1ccn(Cc2ccccn2)n1)C(=O)NC(C)(C)C 95409834 NIUFHNHDJPMQOM-LBPRGKRZSA-N 301.394 2.042 0 40 DEAB C[C@H](Sc1ncc(CO)n1C)c1cn(-c2ccccc2)nn1 95414724 XUMVFSVTNPVVMJ-NSHDSACASA-N 315.402 2.346 0 40 DEAB C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc2ncccc12 95462004 JNBPSTAICPEAQU-GFCCVEGCSA-N 322.430 2.310 0 40 DEAB CC[C@H](N/C=C1/C(=O)N(c2ccc(Cl)cc2)N=C1C)C(=O)O 95470965 UBHYXVBWPGSTLS-RPHSKFLZSA-N 321.764 2.399 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)NCc1cn2ccsc2n1 78984590 VXOUKSDQMDMPDX-NSHDSACASA-N 315.402 2.484 0 40 DEAB COc1csc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 78974041 KSYOAAHFOFSDTC-UHFFFAOYSA-N 322.430 2.231 0 40 DEAB O=C1NC(C2CC2)(C2CC2)C(=O)N1Cc1nc2ccccc2o1 95965161 RRNNQYAFKISKPY-UHFFFAOYSA-N 311.341 2.438 0 40 DEAB COC(=O)C1(C(=O)Nc2cc(F)cc(Br)c2)CC1 95944574 WWJFLFZRZMRZBH-UHFFFAOYSA-N 316.126 2.480 0 40 DEAB CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cnn(C)c1 95988629 IEGXFFGONLEFDX-UHFFFAOYSA-N 303.746 2.038 0 40 DEAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nnc3n2CCC3)C1 89274929 BQOUUPUUAFFSIP-NWDGAFQWSA-N 323.466 2.040 0 40 DEAB CC[C@H]1CN(C(=O)c2n[nH]c(O)n2)CC[C@@H]1c1ccccc1 74828124 FCCWPBOUOBHFNP-AAEUAGOBSA-N 300.362 2.166 0 40 DEAB CCCN(CCC)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 9909119 AQARJRSAFZWABP-UHFFFAOYSA-N 310.419 2.382 0 40 DEAB COC(=O)CCNC(=O)CCN1CCC[C@H]1c1cccc(C)c1 89669431 LIMDAQRJGJAYEL-INIZCTEOSA-N 318.417 2.201 0 40 DEAB O=C(NCCc1nnc(-c2ccccc2)o1)[C@@H](O)c1ccccc1 89853073 LKUFWNKIBFCZRR-INIZCTEOSA-N 323.352 2.129 0 40 DEAB CC(C)C[C@@H](CCO)CNC(=O)N1CCOC2(CCCC2)C1 89802467 RXXZLPCCFCHPLH-OAHLLOKOSA-N 312.454 2.386 0 40 DEAB O=C(Nc1cnns1)[C@H]1CCCN(C(=O)c2ccccc2)C1 188697671 FASQPXLHTXBOPI-LBPRGKRZSA-N 316.386 2.029 0 40 DEAB CCCc1cc(NC(=O)c2ccc(Cn3ccnn3)cc2)n[nH]1 528506973 MKOOIAPIOUSXJC-UHFFFAOYSA-N 310.361 2.254 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccsc1)N1CCn2c(nnc2C2CC2)C1 528532862 ZYXQWUSKGBCDEU-QWHCGFSZSA-N 314.414 2.363 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C=C2CCC2)cc1 129284401 DCGNTCOTIPYQLW-ZDUSSCGKSA-N 307.415 2.384 0 40 DEAB O=C(c1cccs1)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36070920 YXTBOMARDMJIMZ-AWEZNQCLSA-N 312.394 2.330 0 40 DEAB Cc1ccccc1[C@@H]1CCN(C(=O)c2c[nH]c(=O)[nH]2)CCS1 219288473 XLALATWIYBFJOL-AWEZNQCLSA-N 317.414 2.332 0 40 DEAB CNc1nnc(SCCC(=O)c2ccc(O)cc2O)s1 521395274 PPNPFVWTMMDMKZ-UHFFFAOYSA-N 311.388 2.356 0 40 DEAB NCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCC2 35315230 ALOFXLNXRXJZCA-UHFFFAOYSA-N 311.364 2.395 0 40 DEAB CC(C)(C)c1ncc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cn1 560405701 KTOYHAFRZZBUJG-XJFOESAGSA-N 314.389 2.191 0 40 DEAB COc1cc(CCNC(=O)CCc2cnn(C)c2)ccc1C 78145984 PWOTZUDRQVKKJV-UHFFFAOYSA-N 301.390 2.029 0 40 DEAB O=C(Cc1noc([C@H]2CC23CCOCC3)n1)NC1CCCCC1 225465951 QGXVHAYVGNDLSF-CYBMUJFWSA-N 319.405 2.345 0 40 DEAB CCc1nnc(N2CC[C@H](OCc3c(C)noc3C)C2)n1CC 569141713 QOTVSGDEXULHKE-ZDUSSCGKSA-N 319.409 2.261 0 40 DEAB O=C(NCCc1cccc(F)c1F)N[C@@H]1CC12CCOCC2 570526738 CAJUGOGNCSNTMG-CYBMUJFWSA-N 310.344 2.376 0 40 DEAB CSCC[C@@](C)(O)CNS(=O)(=O)c1ccccc1Cl 75157555 ANJNYXAUEKFHHS-GFCCVEGCSA-N 323.867 2.122 0 40 DEAB O=C1Nc2ccccc2CC[C@H]1N1CCC(n2ccnc2)CC1 192061860 QWVGBMUJGSGTGF-QGZVFWFLSA-N 310.401 2.474 0 40 DEAB Cc1cccc(CC(=O)N2CC[C@H](Oc3ccc(C)nn3)C2)c1 225423378 PFWJNSTZJHNKCA-INIZCTEOSA-N 311.385 2.316 0 40 DEAB c1coc(CN2CCCn3nnc(COCC4CC4)c3C2)c1 96058839 NIDNECOHWOICFG-UHFFFAOYSA-N 302.378 2.204 0 40 DEAB O=C(c1ccsc1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053606 MAIGAOCNOMEOAB-ZFWWWQNUSA-N 312.394 2.483 0 40 DEAB FC(F)(F)c1nnc2n1CCN(c1ncnc3ccccc13)C2 265825069 OROKIBNWLQSUFX-UHFFFAOYSA-N 320.278 2.260 0 40 DEAB O=C(NCC1(CO)CC1)NC1CCN(CC2CCCCC2)CC1 96447324 ALLFQNWKKHKNQI-UHFFFAOYSA-N 323.481 2.103 0 40 DEAB COc1ccc(S(=O)(=O)N(C)c2nccs2)c(C)c1F 96501486 DJAUNBNJXAFOBF-UHFFFAOYSA-N 316.379 2.424 0 40 DEAB CN1CCC2(CC1)C[C@@H](COCC1CC1)N(c1ncccn1)C2 96219240 YOZVCDIQCKBCPG-INIZCTEOSA-N 316.449 2.194 0 40 DEAB O=C1CC[C@H](C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)N1 142652447 YSZNYMJNILDTRF-MRXNPFEDSA-N 323.348 2.358 0 40 DEAB COc1ccc(CN2Cc3nccn3C[C@@H](CN(C)C)C2)cc1 96188195 ZAJPKOWINWUHAJ-INIZCTEOSA-N 314.433 2.085 0 40 DEAB Cc1noc(C)c1CN1CCc2ncnc(OC(C)C)c2CC1 96255637 NENYKJVHKXFYLJ-UHFFFAOYSA-N 316.405 2.469 0 40 DEAB c1cncc(O[C@H]2CN(Cc3ccncc3)[C@H]3CCCO[C@H]23)c1 96058087 CZWMMNJVBOVOGV-BZSNNMDCSA-N 311.385 2.287 0 40 DEAB COc1ccc(C)nc1NC(=O)NC[C@H](c1ccco1)N(C)C 97378570 GFGOUCDSCFHTBE-GFCCVEGCSA-N 318.377 2.416 0 40 DEAB O=C1NC2(CCN(Cc3cccnc3)CC2)C[C@@H]1c1ccncc1 96061406 DHSYCSPPDVLRML-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB CC(=O)c1c(F)cccc1N1CC[C@@H](CN2CCOCC2)C1 96429714 MCPDUCFCIRNBNL-AWEZNQCLSA-N 306.381 2.187 0 40 DEAB CO[C@H](CNC(=O)CN1CCCCC1=O)c1cccc(Cl)c1 96431917 SIDBFVMRYJGMNJ-CQSZACIVSA-N 324.808 2.156 0 40 DEAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)N3CCc4ccccc43)[C@H]2C1 248858249 ZVWZJNAWOISEHW-PVAVHDDUSA-N 316.401 2.437 0 40 DEAB CO[C@H]1CN(C(=O)c2cc(F)cc(F)c2)Cc2cccn2C1 247849678 OEECWNJFENMSOX-OAHLLOKOSA-N 306.312 2.437 0 40 DEAB O=C(c1ccncc1)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 257257813 KREMZHHUSDLVHO-ZDUSSCGKSA-N 320.356 2.239 0 40 DEAB CCOC(=O)c1c(N)ncn1-c1ccccc1Br 256053319 QYXVUUPBADIRHZ-UHFFFAOYSA-N 310.151 2.394 0 40 DEAB O=C(Cc1cccc(F)c1F)N1CCC(Cn2ccnn2)CC1 269965956 NXZRBZWWFRYVLG-UHFFFAOYSA-N 320.343 2.038 0 40 DEAB CCC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 377413022 PDUUIZMIQOBYIQ-UHFFFAOYSA-N 316.405 2.216 0 40 DEAB Cc1ccsc1C(=O)NCc1nc(-c2cccnc2O)no1 575616850 NNOJCKJHRBKIER-UHFFFAOYSA-N 316.342 2.137 0 40 DEAB CCc1ncc(C(=O)N[C@@](C)(C(=O)O)c2ccccc2)s1 675982183 UCRVLHKINXPXKF-OAHLLOKOSA-N 304.371 2.435 0 40 DEAB CN(Cc1nc(O)c2cnn(C)c2n1)Cc1ccccc1Cl 54417700 QQHBFCQIRRIJBB-UHFFFAOYSA-N 317.780 2.354 0 40 DEAB CCn1c(C(=O)N2CCC(CC(N)=O)CC2)cc2ccccc21 71819879 KVNPUKBMAUKFCK-UHFFFAOYSA-N 313.401 2.389 0 40 DEAB COC(=O)[C@@H]1CCCN1Cc1ccn(-c2cccc(F)c2)n1 71907765 MTSXCCDWPHKIPZ-HNNXBMFYSA-N 303.337 2.149 0 40 DEAB CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCC(=O)N(C)C1 84718722 XDZZNKHWGDWVBZ-WCQYABFASA-N 324.808 2.234 0 40 DEAB O=C([C@@H]1COCCO1)N1CCCCC[C@H]1Cc1cccs1 89799990 WEHOCAUBONSVTH-ZFWWWQNUSA-N 309.431 2.477 0 40 DEAB CCCS(=O)(=O)N(C)C[C@@H]1CCN(Cc2ccccc2)C1 96433522 PPZGVQPCVUDJTA-INIZCTEOSA-N 310.463 2.180 0 40 DEAB C[n+]1c(SCC(=O)O)n[nH]c1-c1ccc(C(C)(C)C)cc1 5624952 YCHYJFAGQAUBGG-UHFFFAOYSA-O 306.411 2.375 0 40 DEAB COc1ccccc1CC(=O)N[C@H](C)Cn1nnc2ccccc21 12145025 GPHBUCNTBGPKJA-CYBMUJFWSA-N 324.384 2.187 0 40 DEAB COC(=O)c1ccc(NC(=S)NCCCn2ccnc2)cc1 13556334 HXTUIQQJNPPULL-UHFFFAOYSA-N 318.402 2.046 0 40 DEAB Oc1ccnc(SCc2nnc(S)n2-c2ccccc2)n1 16523720 GGKFQIXYCCSLLZ-UHFFFAOYSA-N 317.399 2.344 0 40 DEAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1cccs1 19286377 TYXOECIHPVJNOM-NWDGAFQWSA-N 301.415 2.272 0 40 DEAB C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530075429 IRCCWBIACGERNF-UMVBOHGHSA-N 319.405 2.441 0 40 DEAB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(F)c(F)c1 8240410 HADVXBUGBRYFPV-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2cnccc12 1888906221 IQCIRQZXAUECDT-UHFFFAOYSA-N 308.341 2.432 0 40 DEAB CCN1CCCC[C@@]12CCCN(C(=O)CCc1cncnc1)C2 1565545962 SPQYLQZZDNNSBI-SFHVURJKSA-N 316.449 2.276 0 40 DEAB O=C(CCc1ccc[nH]1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 1565542629 GJDQZLBXEZVWSO-ZWKOTPCHSA-N 324.428 2.218 0 40 DEAB Cn1nc(COCC2CC2)c2c1CCN(C(=O)C1(F)CCC1)C2 1565546509 DXONEVYNZVWFOT-UHFFFAOYSA-N 321.396 2.124 0 40 DEAB CCOC(=O)Cc1nnc(NC(=O)c2ccccc2F)s1 1252892 HTQSOXKOGFDYHH-UHFFFAOYSA-N 309.322 2.035 0 40 DEAB COC(=O)c1c(N2C(=N)SCC2=O)sc2c1CCCC2 4450995 OWSRQWZWMNGHMW-UHFFFAOYSA-N 310.400 2.428 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1OC 9820578 POJMOSHNRXNERO-HNNXBMFYSA-N 310.353 2.013 0 40 DEAB COc1cccc(OC)c1C(=O)NC[C@@H]1COC2(CCCC2)O1 10220465 GAOIYGITSLDWCC-GFCCVEGCSA-N 321.373 2.119 0 40 DEAB O=C(c1cccc(C(F)(F)F)c1)N1CC(Cn2ccnn2)C1 1775967292 LBYPGTVYFSUIFL-UHFFFAOYSA-N 310.279 2.069 0 40 DEAB O=C(NC1CC1)C1CCN(c2cc(C3CCC3)ncn2)CC1 2086875500 NKSFHHYMINWBRH-UHFFFAOYSA-N 300.406 2.239 0 40 DEAB COc1ccc(C(=O)NCc2cncc(-c3cnn(C)c3)c2)cc1 575414696 NDEIJXBXBXXJDW-UHFFFAOYSA-N 322.368 2.421 0 40 DEAB CC(C)CS(=O)(=O)[C@H]1CCCN(C(=O)c2ccsc2)C1 585146893 BTHMPIKKJAKNCY-ZDUSSCGKSA-N 315.460 2.424 0 40 DEAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H]1Cn1nccn1 618254678 CVFGXJFYLDSABE-QGZVFWFLSA-N 321.384 2.374 0 40 DEAB Cc1cc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2cc1O 20609940 WFYOGACWNAFSPS-VXGBXAGGSA-N 303.358 2.416 0 40 DEAB biogenic CC(C)c1ncc(Cl)c(C(=O)N2CCN(C(C)C)CC2)n1 50121281 WZTYKLGCUAUHKP-UHFFFAOYSA-N 310.829 2.420 0 40 DEAB CC(C)(C)c1ccc(CS(=O)(=O)CC(=O)NCC2CC2)cc1 40106046 ARDSVEXIXSDKCS-UHFFFAOYSA-N 323.458 2.425 0 40 DEAB CN(C)S(=O)(=O)c1ccc(COc2ccc(F)cc2F)o1 40538720 QRCSKSHROAXWCI-UHFFFAOYSA-N 317.313 2.387 0 40 DEAB O=C(NCCCCN1CCOCC1)c1cc2c(s1)CCCC2 40541027 LCORBTRYXBTCOC-UHFFFAOYSA-N 322.474 2.469 0 40 DEAB Cc1cc(C(=O)COC(=O)C2(O)CCCC2)c(C)n1C1CC1 45891752 AFKHNSQJPBTRFT-UHFFFAOYSA-N 305.374 2.471 0 40 DEAB CC(C)C1=NN(C(=O)c2cccnc2)[C@](O)(C(F)(F)F)C1 248992 XWDIWEQVVZMEPJ-GFCCVEGCSA-N 301.268 2.190 0 40 DEAB CCN1CCO[C@@H](CNCc2csc(-c3ccccn3)n2)C1 69774109 ZXIMSPLOYAINGO-AWEZNQCLSA-N 318.446 2.015 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 20895014 CGOROGSIZPNNEK-UHFFFAOYSA-N 323.396 2.417 0 40 DEAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)c1nc(-c2ccco2)no1 29740129 WJDAWSYFPXJBCE-SSDOTTSWSA-N 319.346 2.403 0 40 DEAB COc1ccccc1CC(=O)NC[C@@H]1COc2ccccc2O1 375502 RFJDIIPSOMIMHS-CQSZACIVSA-N 313.353 2.194 0 40 DEAB Cc1ncsc1C(=O)NCCN1CCc2ccccc2C1 46575614 VHIAPAWCGHASPN-UHFFFAOYSA-N 301.415 2.240 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@@H]2c3ccccc3O[C@H]3CCCC[C@]312 4028836 SEVNYVDCZGGKSS-AFIMGQEJSA-N 315.369 2.358 0 40 DEAB biogenic Cc1ccc(C)c(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1 4314598 FDPLXXGXADISJE-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB NC(=O)C1CCN(c2ccc(C(=O)c3cccnc3)cc2)CC1 4418024 LEKWOEFGVMXUKZ-UHFFFAOYSA-N 309.369 2.014 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1 21520106 IPEHLSZMNJWMTP-UHFFFAOYSA-N 323.395 2.193 0 40 DEAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccn(C)n1)n2C 101337857 RBOKDARKCHATGZ-NXVVXOECSA-N 316.386 2.113 0 40 DEAB Fc1cnc(N[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)nc1 107226558 YAIUFCVOWDLUER-CZUORRHYSA-N 318.352 2.054 0 40 DEAB Nc1nc(Cl)cc(N2CCCN(Cc3ccccc3)CC2)n1 24056763 RLQNSKOXBYSJIT-UHFFFAOYSA-N 317.824 2.425 0 40 DEAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccncc1 12523566 ANFSYKYZAUWSJO-UHFFFAOYSA-N 311.341 2.226 0 40 DEAB CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 102206188 AHSBJGJCIWJIHG-XQLPTFJDSA-N 301.342 2.403 0 40 DEAB COc1ccc(OCCOC(=O)c2c(C)nsc2N)cc1 24755235 CDOIPGDWMVWGJX-UHFFFAOYSA-N 308.359 2.278 0 40 DEAB O=C(Cn1cc(-c2nnco2)ccc1=O)c1ccc2c(c1)CCC2 43241383 VMZKHQQUBUTNLR-UHFFFAOYSA-N 321.336 2.270 0 40 DEAB COc1cc(CNC(=O)CCc2ccc3c(c2)OCO3)ccn1 24987297 GESYLLSGPSKASI-UHFFFAOYSA-N 314.341 2.068 0 40 DEAB C[C@H]1CO[C@H](C)CN1CCS(=O)(=O)c1ccc(Cl)cc1 106510176 IBVZXKSENKSYBK-NWDGAFQWSA-N 317.838 2.223 0 40 DEAB COc1ccc(Cl)cc1N1C(=O)C[C@@H](N2CCCCC2)C1=O 25425624 ODGUEZJYWTUGOJ-CYBMUJFWSA-N 322.792 2.466 0 40 DEAB CSc1ncccc1C(=O)OCC(=O)NCc1ccccc1 3219598 HRPILURSCZDQJW-UHFFFAOYSA-N 316.382 2.277 0 40 DEAB CS[C@@H]1CCC[C@@H]1N(C)CC(=O)NCC(=O)c1ccccc1 107512240 UCUZVRCOHLAIAA-GOEBONIOSA-N 320.458 2.201 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccnn1 108474585 AAVFIPDGAMCEIS-DZGCQCFKSA-N 311.389 2.119 0 40 DEAB Cc1noc(C)c1NC(=O)CCn1cnc2ccccc2c1=O 58193622 NHZDDICQNBSMOC-UHFFFAOYSA-N 312.329 2.030 0 40 DEAB O=C(NCc1ccccc1-n1cccn1)[C@H]1Cc2ccccc2O1 58289291 YGFVXRCDPWGTBR-GOSISDBHSA-N 319.364 2.492 0 40 DEAB O=C(COC(=O)c1c(F)cccc1F)NCCc1ccccc1 3322197 BATNPOLWAJTQBR-UHFFFAOYSA-N 319.307 2.481 0 40 DEAB Cc1noc(CNc2ccc(C(=O)NCC(F)(F)F)cc2)n1 44933911 YYODETODLOTLOY-UHFFFAOYSA-N 314.267 2.282 0 40 DEAB CCc1ccccc1OCC(=O)Nc1cccnc1-n1cncn1 58333126 WSCAYSAGQODKDM-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3ccc4cc[nH]c4c3)CC2)no1 48247383 JZCHJLOUDQUJJQ-UHFFFAOYSA-N 324.384 2.422 0 40 DEAB CCCCN1C(=O)N[C@@](C)(c2ccc3c(c2)OCCCO3)C1=O 48250028 UDUMUFJKMKHDQL-KRWDZBQOSA-N 318.373 2.415 0 40 DEAB O=C1C[C@H](NC2Cc3ccccc3C2)C(=O)N1c1ccccc1 18088167 YNZNJSVTOZFUPF-KRWDZBQOSA-N 306.365 2.076 0 40 DEAB COc1ccc(OC)c2c(SC[C@@H](N)C(=O)O)cc(C)nc12 13207002 ZKFKRCIYRJBBJK-SECBINFHSA-N 322.386 2.064 0 40 DEAB biogenic Cc1cnn(C[C@H]2CCCN2c2nn3cc(C)nc3s2)c1 69927100 HWYVSUFMUOIHCW-GFCCVEGCSA-N 302.407 2.273 0 40 DEAB CN(CC(=O)N1CCCC1)Cc1ccn(-c2cccc(F)c2)n1 64555779 TUYRLVIVODMQFF-UHFFFAOYSA-N 316.380 2.066 0 40 DEAB COc1cccc(CNC(=O)Cc2nc(-c3ccccc3)n[nH]2)c1 65232565 OEKNOZMRKZXGDO-UHFFFAOYSA-N 322.368 2.339 0 40 DEAB biogenic Cc1noc2ncc(C(=O)N(C[C@@H]3CCOC3)C3CC3)cc12 65379309 WQRRCOHFFNTMDY-NSHDSACASA-N 301.346 2.172 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)N[C@@H]1CCCC[C@@H]1C 5352547 ZSWWSKQEHSLEKS-QJPTWQEYSA-N 302.440 2.159 0 40 DEAB CC(=O)c1ccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)cc1 4999379 JKNPAHZMMZSXQN-UHFFFAOYSA-N 323.356 2.125 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 71185219 SFERJSQHVUWVSV-ZWNOBZJWSA-N 324.783 2.420 0 40 DEAB CS[C@H]1CCCC[C@@H]1NCC(C)(C)N1CCS(=O)CC1 90114315 ZIVPYHIFFIIAHD-KBPBESRZSA-N 318.552 2.093 0 40 DEAB COc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)O)C2)nn1 61966107 ZIBOOQHMCPGNOK-GFCCVEGCSA-N 313.357 2.453 0 40 DEAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCCCCC1 8119208 NMVSFVYDNXHSAR-LLVKDONJSA-N 302.378 2.059 0 40 DEAB COc1ccc(C(=O)OCCOc2cccnc2)c(OC)c1 70021471 MVPFSVDGXHFFDZ-UHFFFAOYSA-N 303.314 2.335 0 40 DEAB COCCCNC(=S)N[C@H](C)c1cc(OC)ccc1OC 17032530 MPQTWRFQWQAQCD-LLVKDONJSA-N 312.435 2.265 0 40 DEAB CC(C)CNC(=O)CNC(=O)Nc1ccccc1OC(F)F 69453286 XMRNKQNHNMCMKU-UHFFFAOYSA-N 315.320 2.182 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)O[C@H](C)C3)c2)n[nH]1 71799575 PGGLQULMAHBJDZ-PHIMTYICSA-N 315.377 2.421 0 40 DEAB O=C([C@@H]1C[C@@H]1c1cccnc1)N1CCCC[C@@H]1Cn1cccn1 71865382 WKCQCXRBJIEOIH-BRWVUGGUSA-N 310.401 2.463 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)[nH]n1 71869741 ADLJIIHEZWORRM-AWEZNQCLSA-N 301.394 2.172 0 40 DEAB C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C 71910786 WNUYUWCIZOJUKT-AWEZNQCLSA-N 320.437 2.117 0 40 DEAB O=C(CNC(=O)Nc1cccnc1-c1ccccc1)NCC1CC1 97047328 AIISMGXVHDBBIQ-UHFFFAOYSA-N 324.384 2.396 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)no1 72299226 HVKQXNXTPXHKIW-LLVKDONJSA-N 315.329 2.338 0 40 DEAB Cc1ccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)cc1F 72298010 BHTWTFGZLJJOCL-GFCCVEGCSA-N 321.421 2.383 0 40 DEAB O=C(C[C@H]1OCCc2ccccc21)N[C@@H]1CCc2nccn2C1 72285410 PIGAYLNOSOEOMZ-GDBMZVCRSA-N 311.385 2.018 0 40 DEAB O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)N1CC[C@H](O)C1 97100550 HRPMJRSSZQDOQM-CPCISQLKSA-N 324.249 2.344 0 40 DEAB Cc1cccc(OCCCC(=O)N[C@H]2CCc3nccn3C2)c1 97197699 BASBINLJXJFWGE-HNNXBMFYSA-N 313.401 2.482 0 40 DEAB CCn1c(CN[C@H]2CCc3nnc(C)n3C2)nc2ccccc21 97199405 SFLFDBCUXMLMLM-ZDUSSCGKSA-N 310.405 2.061 0 40 DEAB C[C@H](c1nnnn1-c1ccccc1)N1CCC(c2cn[nH]c2)CC1 97203465 NOAOGRNDJXUKCV-CYBMUJFWSA-N 323.404 2.326 0 40 DEAB COCCN(C)C(=O)[C@H]1CCCN(c2ccc(Cl)cn2)C1 78658191 BAQBLBQMTJDPKK-LBPRGKRZSA-N 311.813 2.056 0 40 DEAB Cc1cccc(C)c1OCCCNC(=O)N1CC[C@H]([C@@H](C)O)C1 97372676 XRAJJAQYVUBTOX-CVEARBPZSA-N 320.433 2.485 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NC[C@H]2CCN(C3CC3)C2)C1 79073580 LZBROWLQSVWJMG-ZIAGYGMSSA-N 309.454 2.070 0 40 DEAB Cc1nc(NC(=O)N[C@]2(CO)CCc3ccccc32)oc1C 95429632 GXRHUOWQRWTNNJ-INIZCTEOSA-N 301.346 2.247 0 40 DEAB CCOC(=O)c1cc2n(n1)CCCN(C(=O)OC(C)(C)C)C2 95698593 SOHDLTQLRQZHBX-UHFFFAOYSA-N 309.366 2.201 0 40 DEAB COc1ncnc(N)c1CNCc1cc2cccc(OC)c2o1 85310665 IJHIBJVTEWZJGQ-UHFFFAOYSA-N 314.345 2.112 0 40 DEAB CCn1nc(C)cc1C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 95991653 LMZAZLLOIKNCNL-KDJCLPLCSA-N 321.421 2.263 0 40 DEAB CC(C)(C)n1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)cn1 95947195 UPKRSLLJPKYTFF-ZDUSSCGKSA-N 301.346 2.194 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)N[C@@H](C)[C@@H](C)CO 95984920 LDAOQRIKWFBIMR-STQMWFEESA-N 302.378 2.319 0 40 DEAB COc1ccnc(NCc2ccc(OCC(F)(F)F)nc2)n1 89484085 XXEXXYHPTGXDTF-UHFFFAOYSA-N 314.267 2.433 0 40 DEAB C[C@@H]1CC[C@@H](CCC(=O)Nc2cccc(-c3nnn[nH]3)c2)O1 75189492 RLUJJSXGAQCXRL-MFKMUULPSA-N 301.350 2.153 0 40 DEAB O=C(NCCN1CCCCCC1)c1cc(-c2cccnc2)on1 75117598 XNCNGECFYAJLSH-UHFFFAOYSA-N 314.389 2.342 0 40 DEAB O=C(NCc1nncn1-c1ccccc1)c1ccncc1Cl 89857638 KKEKAJIOIUOYMT-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CC(C)[C@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1 27628045 SAFCUZRVTVSCQT-HNNXBMFYSA-N 316.401 2.082 0 40 DEAB CCCOc1ccc(S(=O)(=O)NC[C@@H](C)O)c2ccccc12 36638799 NQHCWSVVIJSNCM-GFCCVEGCSA-N 323.414 2.288 0 40 DEAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 32639807 QDKULFPTXNMWOW-CHWSQXEVSA-N 310.444 2.090 0 40 DEAB C[C@H]1CC(=O)Nc2c1c(NC(=O)c1ccc(F)cc1F)nn2C 35597818 ZLHVJVAKXXVSPG-ZETCQYMHSA-N 320.299 2.396 0 40 DEAB O=C(O)CCC(=O)Nc1cccc(Cn2cc(Cl)cn2)c1 35670985 RFFYVEBTMIADIH-UHFFFAOYSA-N 307.737 2.388 0 40 DEAB Cc1ncc(C(=O)NCc2ccccc2OCCN(C)C)s1 79331056 VBCWWPAIUHJMRF-UHFFFAOYSA-N 319.430 2.322 0 40 DEAB CCS[C@H]1CCCCN(C(=O)N[C@H](C)c2nncn2C)C1 78988930 SNPIAMDLMWJBDO-NEPJUHHUSA-N 311.455 2.193 0 40 DEAB CC(C)(C)OC(=O)N(C[C@H]1CCCN(CC(=O)O)C1)C1CC1 79410808 NRUBRRUGRAQJCN-LBPRGKRZSA-N 312.410 2.183 0 40 DEAB COC(=O)c1ccc(N(C)C)c(I)c1 39951752 OVSSLPHSHJDLIO-UHFFFAOYSA-N 305.115 2.144 0 40 DEAB c1cnc(N2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)nc1 72387276 ZMAPIFZABRHCDH-HNNXBMFYSA-N 324.432 2.326 0 40 DEAB Cc1ccccc1-c1nc(C(N)=S)c(NCCC(=O)O)o1 35672430 UDQHGQCZDFNHAB-UHFFFAOYSA-N 305.359 2.171 0 40 DEAB CSc1sc(NS(=O)(=O)c2cccnc2)nc1C 78556699 ZUUICZOWNRUTFD-UHFFFAOYSA-N 301.418 2.369 0 40 DEAB O=C(c1ccc(-n2ccnn2)cc1)N1CCOC2(CCCC2)C1 89828912 YVLNJSRCCCXZRQ-UHFFFAOYSA-N 312.373 2.053 0 40 DEAB COc1cc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)cc1C 41097056 QMKOMOIKMMUSIN-STQMWFEESA-N 313.419 2.110 0 40 DEAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1CCO 223562675 KEYZKBUVIVGZNW-QWHCGFSZSA-N 319.455 2.416 0 40 DEAB CCCc1noc([C@@H]2CCCN(C(=O)c3snnc3C)C2)n1 40714753 BJENEEWRTIYBKI-SNVBAGLBSA-N 321.406 2.202 0 40 DEAB O=C(NCc1ccccc1F)c1cc2c([nH]c1=O)CCCC2 49551552 PPCISCBHBFWEJR-UHFFFAOYSA-N 300.333 2.323 0 40 DEAB CCOc1cc(NC2CCN(C[C@@H]3CCC=CO3)CC2)ncn1 194708511 AVKIDWUDTLCIRJ-HNNXBMFYSA-N 318.421 2.444 0 40 DEAB O=C(NCCCOc1cccc2cccnc12)c1ccc[nH]c1=O 44455397 OMFVCDUSVSUUOU-UHFFFAOYSA-N 323.352 2.122 0 40 DEAB C[C@H]1CC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)[C@@H](C)C1 195530234 VWGQAXYPXNCAHS-AVGNSLFASA-N 318.483 2.324 0 40 DEAB C[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)[C@@H]1CCCO1 195550885 VWBFADORYOCZRS-XIRDDKMYSA-N 318.417 2.207 0 40 DEAB CC1CCN(C(=O)CCc2nc(-c3cccnc3)no2)CC1 225834781 MYUORBYEABXPBD-UHFFFAOYSA-N 300.362 2.323 0 40 DEAB Cc1ccc(CN2C[C@@H]3C[C@@H](CC(=O)N4CCCC4)O[C@@H]3C2)o1 96218644 CZCLJPBSSSORPK-BHYGNILZSA-N 318.417 2.190 0 40 DEAB O=C(NCc1ccco1)[C@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 96227201 SLRNZFBVDZNKRK-QAPCUYQASA-N 316.401 2.325 0 40 DEAB C[C@@H]1OCC[C@@H]1C(=O)NC[C@](C)(Cc1ccccc1)[C@@H](C)O 331144349 YRDSICBFDDRQKH-KPEUIFRASA-N 305.418 2.157 0 40 DEAB CCOC(=O)C1(NCc2cccc(C(=O)NC)c2)CCCCC1 96424457 IFQHPUYEJGWCTJ-UHFFFAOYSA-N 318.417 2.402 0 40 DEAB O=C(c1nc2c(s1)CCCN2C(=O)C1CC1)N1CCCC1 96264689 IWKRFJCASRRZCX-UHFFFAOYSA-N 305.403 2.068 0 40 DEAB C[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CNC(=O)OCC(F)(F)F 96411694 PRNHAYNUPWTOKN-DCAQKATOSA-N 322.327 2.455 0 40 DEAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(C(N)=O)nc1 96487543 LLNONVRUMRSGBG-VIFPVBQESA-N 304.375 2.467 0 40 DEAB O=C(Cc1ccsc1)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 96042390 YTRBKJWSXPCXKE-INMHGKMJSA-N 321.442 2.476 0 40 DEAB Cc1cccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)c1 96344739 RSSRWKYYBULMFI-OAHLLOKOSA-N 323.352 2.074 0 40 DEAB 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CO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2ccc3c(c2)CCC3)[C@H]1O 257328250 XEVGGOSMCXNIEC-ZHALLVOQSA-N 317.429 2.105 0 40 DEAB O=S(=O)(c1cccc(F)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257291012 QFFUUSPAFUIZCG-LBPRGKRZSA-N 323.393 2.192 0 40 DEAB CCCCc1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)[nH]n1 257341522 ZKSCEOUAJUDJAQ-SCNOPHJPSA-N 316.449 2.497 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2nccc3ccccc23)n1 257242924 IESWKLNVBPDRIK-OAHLLOKOSA-N 322.368 2.480 0 40 DEAB CC(=O)N1CCN(C(=O)c2ncccc2C)[C@H](c2ccccc2)C1 257264903 LWLPVAYBIPJTOO-KRWDZBQOSA-N 323.396 2.436 0 40 DEAB CC[C@@H](C(=O)O)N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 263568839 HDULYWABZPJQGR-WBMJQRKESA-N 322.405 2.443 0 40 DEAB CCN(Cc1ccccc1)C(=O)c1ccc(CS(C)(=O)=O)o1 69816233 QJJOAZMBIMTEFS-UHFFFAOYSA-N 321.398 2.487 0 40 DEAB Cc1cc2c(cc1C)O[C@H](C(=O)Nc1nnc(C(C)C)[nH]1)C2 72302844 URRSHSXFDLPNTB-ZDUSSCGKSA-N 300.362 2.487 0 40 DEAB Cc1ccccc1OCC(=O)N1CCCSC[C@@H]1CN(C)C 90699940 ADDOGRTUGMNHOW-HNNXBMFYSA-N 322.474 2.270 0 40 DEAB C[C@H](CNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)c1ccccc1 36695006 HGIYNOVYCXVUAH-MRRJBJDNSA-N 318.442 2.360 0 40 DEAB COc1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1 13079780 SDPIKLOGTLBIQG-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc(C)cc32)N2CCC[C@@H]12 15022609 OADUTSIQQFOQFS-HNJNHCNJSA-N 314.385 2.190 0 40 DEAB O=C(C1CCCC1)N1CC[C@H](NC2CCC3(CC2)OCCO3)C1 156380136 ALLMINHCPQTKDB-INIZCTEOSA-N 322.449 2.053 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N1CCN(c2ccccc2F)CC1 11768410 GFEVUMAIPVYVIR-UHFFFAOYSA-N 316.380 2.138 0 40 DEAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 7614825 ILVCZDKFUCLIIA-UHFFFAOYSA-N 324.336 2.150 0 40 DEAB CCc1nccn1CC1CN(C(=O)c2ccc(OC)c(F)c2)C1 1848623832 BZMGLQIEHGZXBK-UHFFFAOYSA-N 317.364 2.365 0 40 DEAB Cn1cc(NC(=O)c2ccc(Br)s2)ccc1=O 40231979 PUGYUMJUEMDFAR-UHFFFAOYSA-N 313.176 2.462 0 40 DEAB O=C(NCCc1cccs1)[C@@H]1CCCN(c2cnccn2)C1 40497554 BMYKIOBOBXDNIA-CYBMUJFWSA-N 316.430 2.113 0 40 DEAB COC(=O)NCC(=O)NCc1cccc(Oc2ccccc2)c1 40555380 WWKLJNMIXBALQQ-UHFFFAOYSA-N 314.341 2.451 0 40 DEAB CC(C)Oc1ccc(C(=O)N(C)Cc2nnc3n2CCC3)cc1 40523024 DPGUJJKJSBSYNT-UHFFFAOYSA-N 314.389 2.284 0 40 DEAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCCn1ccnc1 20567966 BDWSWPQJEXSFQA-CQSZACIVSA-N 317.389 2.256 0 40 DEAB O=C1C[C@H](C(=O)NC[C@@H]2Cc3ccccc3O2)c2ccccc2N1 32006096 ZJDOBOQHTFGKIC-ZFWWWQNUSA-N 322.364 2.232 0 40 DEAB C[C@@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C(C)(C)c1ccccc1 69705775 SIIWUMWXMAUWKZ-ZIAGYGMSSA-N 321.442 2.417 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N[C@H](c2ccccc2)c2n[nH]c(C)n2)c1 69219752 VYPOASGIHPRUCJ-OAHLLOKOSA-N 323.356 2.163 0 40 DEAB CCOCCN1CCN(CCOc2ccccc2F)C[C@@H]1C 70016766 AQCZTFLBZUUFJO-HNNXBMFYSA-N 310.413 2.247 0 40 DEAB COC(=O)/C=C/c1ccc(OCC(=O)c2ccc[nH]2)c(OC)c1 29696989 NYYBGBSMPCTAFC-SOFGYWHQSA-N 315.325 2.471 0 40 DEAB Cc1nn(C)cc1CN(C)C(=O)[C@H](C)n1ncc(Cl)c1C 2777713 XSQPSVLPIZTJRA-NSHDSACASA-N 309.801 2.106 0 40 DEAB Cn1c(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n[nH]c1=O 32672298 RORQUOJOLJCEOP-UHFFFAOYSA-N 320.418 2.137 0 40 DEAB O=C(c1ccccc1)N1CCN(Cc2nnsc2Cl)CC1 32759331 MYDOXCCOKSYXBU-UHFFFAOYSA-N 322.821 2.150 0 40 DEAB Cc1cc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)no1 3013598 QQTVDRROROEOQF-LLVKDONJSA-N 303.343 2.425 0 40 DEAB Cc1c(C(=O)OCc2cc(Cl)c3c(c2)OCO3)cnn1C 22989027 DXYQMHUPFDIRPQ-UHFFFAOYSA-N 308.721 2.468 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccnc2S)n1 47918580 SKWNBFBZRLJXQD-SNVBAGLBSA-N 304.419 2.250 0 40 DEAB CC(=O)NCc1ccc(C(=O)n2cccc/c2=N\C(C)C)cc1 23198036 DJVRTVOIZTYHOJ-LVZFUZTISA-N 311.385 2.122 0 40 DEAB CC[C@H](Oc1ccccc1)C(=O)NCCc1nnc2ccccn12 24991457 ZHBYKPJOBDBWLW-HNNXBMFYSA-N 324.384 2.246 0 40 DEAB Cc1ccccc1CCNC1=NS(=O)(=O)c2ccccc21 12616246 DGIZMFCVXXGXSA-UHFFFAOYSA-N 300.383 2.276 0 40 DEAB CC[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1OC 48198715 BMTYUVLLFRIALY-JSGCOSHPSA-N 304.390 2.131 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100968615 IKNCXZBZOSOGKT-MGPQQGTHSA-N 322.430 2.360 0 40 DEAB O=C1NCCCC[C@@H]1NCc1csc(Br)c1 35255885 FCPMEORZUKHWOQ-VIFPVBQESA-N 303.225 2.269 0 40 DEAB O=C(OCc1nc(-c2ccco2)no1)c1ccc2c(c1)OCO2 44091151 FBAMUSAWJZXNEU-UHFFFAOYSA-N 314.253 2.415 0 40 DEAB COCC(=O)Nc1ccc(N[C@@H]2CN(C(C)C)C[C@@H]2C)cc1 108101878 ZRVSPOYJQBPKLQ-XJKSGUPXSA-N 305.422 2.412 0 40 DEAB COc1ccc([C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C2CC2)cc1 44403511 KANBLQFJAHBCEF-PBHICJAKSA-N 316.401 2.131 0 40 DEAB CC(C)[C@@H](NC(=O)N1CCOCC1)c1ccc2c(c1)OCCO2 27335650 OLZWHAYYTWMSLC-MRXNPFEDSA-N 320.389 2.197 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nncn2C)cc1 3395131 XBAMGGBQYNNPCN-SNVBAGLBSA-N 304.375 2.137 0 40 DEAB O=C(Nc1cccnc1N1CCCCC1)c1cnn2cccnc12 58267412 YSAUTZQAXHZRRW-UHFFFAOYSA-N 322.372 2.367 0 40 DEAB COc1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1F 12761298 AJALVLMMKVCAOI-UHFFFAOYSA-N 321.377 2.253 0 40 DEAB C[C@@H](OCCCNC(=O)c1ccc(O)nn1)c1ccccc1 44907034 ZFMUICUOEBKSCS-GFCCVEGCSA-N 301.346 2.080 0 40 DEAB Cc1c([C@H](C)NC(=O)c2cnccn2)cnn1-c1ccccc1 58433593 IGCOLJCFPBVRGY-LBPRGKRZSA-N 307.357 2.462 0 40 DEAB Cc1n[nH]cc1CNCc1cc(Br)c2c(c1)OCO2 37989227 BCJBZOSKXFHJGG-UHFFFAOYSA-N 324.178 2.499 0 40 DEAB CN(C)c1ncc(CNCCc2cn3ccccc3n2)s1 48353496 RLXUKHCOQDMJBO-UHFFFAOYSA-N 301.419 2.189 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(NC(N)=O)cc1 48356338 NMIXVNCMKZSACC-UHFFFAOYSA-N 323.349 2.426 0 40 DEAB COC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1C 12850881 YYQBHCDPOPVSIZ-CHWSQXEVSA-N 317.341 2.387 0 40 DEAB CCSc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C1 48512858 NZQOLNHMBBKTOZ-SNVBAGLBSA-N 314.432 2.107 0 40 DEAB COCc1cc(=O)[nH]c(Nc2nc(C)c3ccc(C)cc3n2)n1 8617345 JXCCZEPRYGNWMX-UHFFFAOYSA-N 311.345 2.220 0 40 DEAB biogenic COc1ccc(-c2nc(CNC(=O)/C=C/c3ccco3)n[nH]2)cc1 69848790 IRHBZKDSSWQQST-CMDGGOBGSA-N 324.340 2.403 0 40 DEAB CCc1ccc([C@@H](CNC(=O)c2cnc(C)cn2)N(C)C)cc1 39975676 OVBFBRGHCBXJCN-QGZVFWFLSA-N 312.417 2.380 0 40 DEAB CCOC(=O)/C=C/C(=O)OCc1cc(=O)oc2cc(C)ccc12 6439011 NFVZQTXISBPOLW-VOTSOKGWSA-N 316.309 2.264 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)C2 69922655 IBQFIAQFJMKOTG-ZIAGYGMSSA-N 314.364 2.126 0 40 DEAB CC(C)[C@@H](CNC(=O)Cc1cn(C)c2ccccc12)N(C)C 66043450 RSGWANMEPWKJMS-QGZVFWFLSA-N 301.434 2.423 0 40 DEAB COc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@@H]2C)c(O)c1 7396915 JEQBRLDAASLWTL-RYUDHWBXSA-N 321.373 2.347 0 40 DEAB CNC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1 7440930 QBCGOOMPEUONNG-UHFFFAOYSA-N 310.309 2.398 0 40 DEAB CN1CCN(C(=O)CSc2nncs2)c2cc(F)ccc21 81072923 PJERAFWJUOBALV-UHFFFAOYSA-N 324.406 2.252 0 40 DEAB c1nc(N2CCC[C@@H](CN3CCCCCC3)C2)c2nc[nH]c2n1 96456181 JXVAUZBQECTXHN-AWEZNQCLSA-N 314.437 2.445 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)C1 71825535 BCGHMYKJBDDKHG-GFCCVEGCSA-N 300.358 2.169 0 40 DEAB O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@H]1Cn1cccn1 71865069 QLQMHLOQPORXEU-RDJZCZTQSA-N 311.385 2.268 0 40 DEAB CCCNC(=O)c1cc(Br)c2c(c1)OCCO2 71849981 MKGSFIUZWDJNQO-UHFFFAOYSA-N 300.152 2.360 0 40 DEAB CC(C)c1nc2n(n1)C[C@H](NCc1nc3ccccc3n1C)CC2 71871847 ZTVQPEYFCNCCKX-CYBMUJFWSA-N 324.432 2.393 0 40 DEAB Cc1cc(C)n(-c2cncc(NCCCc3cn[nH]c3C)n2)n1 84105319 ZOUMISWWTYWWIS-UHFFFAOYSA-N 311.393 2.355 0 40 DEAB CCOC[C@@H](O)CN(C)C1CCN(C2CCC(C)CC2)CC1 71904877 NFUQYYDSSUAFEW-VJFUWPCTSA-N 312.498 2.359 0 40 DEAB O=C(NCc1ccco1)N1CCO[C@H](Cc2ccccc2)C1 97035079 WJHRYJGXEJTRPM-MRXNPFEDSA-N 300.358 2.433 0 40 DEAB O=C(N[C@H]1CC[C@H](C(=O)O)C1)c1ccc(Br)o1 97009329 ZMQDCSFVUZMRCO-BQBZGAKWSA-N 302.124 2.025 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2cnn(C)c2)n1 72273917 CBJVVNAAYBGNHD-ZDUSSCGKSA-N 304.419 2.481 0 40 DEAB CC(=O)NCCCNC(=O)NCc1oc2ccccc2c1C 72286297 KLHJBSAIAZBVCE-UHFFFAOYSA-N 303.362 2.067 0 40 DEAB COCc1cccc(C(=O)N2CCOC[C@H]2c2cccn2C)c1 97144169 FERSKLUJRSWSKA-KRWDZBQOSA-N 314.385 2.385 0 40 DEAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(CCC(C)C)CC1 97107233 ISEWLXZARARPMP-CYBMUJFWSA-N 306.454 2.320 0 40 DEAB COCc1cc(C(=O)NCCCN(C)c2ccccc2)no1 72302727 VMBGTESIZZSDTI-UHFFFAOYSA-N 303.362 2.077 0 40 DEAB O=C(OCc1nccs1)c1cccc(N2C(=O)CCC2=O)c1 84372811 LMXJWWNKYGTYEK-UHFFFAOYSA-N 316.338 2.154 0 40 DEAB COc1ccc(C(=O)Nc2c3c(nn2C)CSC3)cc1OC 72401082 CLDFUBBZMCXFEL-UHFFFAOYSA-N 319.386 2.436 0 40 DEAB Nc1nc(N[C@H]2CCN(CC(F)(F)F)C2)nc2ccccc12 95449328 IYOZUFDNOYPMPJ-VIFPVBQESA-N 311.311 2.261 0 40 DEAB CN(Cc1nccn1C)C(=O)[C@@H]1SCCc2sccc21 79994123 TZCSKBMKPHTUNJ-CYBMUJFWSA-N 307.444 2.471 0 40 DEAB O=C(NCc1ccsc1)Nc1cnn(C[C@H]2CCCO2)c1 79978640 DEBRIIIKFPQJRY-CYBMUJFWSA-N 306.391 2.445 0 40 DEAB CS(=O)(=O)Cc1nc(Cl)c(Br)c(Cl)n1 85450292 AVJGLOMZKILPBL-UHFFFAOYSA-N 319.995 2.091 0 40 DEAB O=C(CCc1ccc(Cl)s1)O[C@@H]1CCS(=O)(=O)C1 95952861 YAVQCZPCSMBJJF-MRVPVSSYSA-N 308.808 2.064 0 40 DEAB CCOc1ccccc1CCC(=O)N1CC[C@@](C)(C(=O)O)C1 95947204 IZUAZZACHNDCBI-QGZVFWFLSA-N 305.374 2.341 0 40 DEAB NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409174118 LJMXMMXCPHWHKY-UHFFFAOYSA-N 319.386 2.149 0 40 DEAB O=C(NCc1ccc(CN2CCCC2=O)cc1)c1cccnc1 79220759 GKUPLTKSTMJQHL-UHFFFAOYSA-N 309.369 2.134 0 40 DEAB CC(C)c1ccc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 217459013 GSGREUANUSWPFE-BSXFFOKHSA-N 313.353 2.181 0 40 DEAB CC(=O)N1CCC[C@H](c2cc(Nc3nncs3)nc(C)n2)C1 72360178 DFLFNAOORGTXGQ-NSHDSACASA-N 318.406 2.106 0 40 DEAB Clc1cccc(CN2CCOC[C@H](Oc3cnccn3)C2)c1 77265906 CIZYNTTZCZETPM-OAHLLOKOSA-N 319.792 2.410 0 40 DEAB biogenic,in-vitro NC(=S)c1ccc(-c2nc3ccc(C(N)=S)cc3[nH]2)cc1 72284208 YFZMXNBFKPYLTB-UHFFFAOYSA-N 312.423 2.498 0 40 DEAB Cc1nocc1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 521396287 IALUTFJUZLNJDI-UHFFFAOYSA-N 309.366 2.112 0 40 DEAB COC(=O)[C@H]1CN(C(=O)c2ccoc2C)c2ccccc2O1 72704808 AXZCBUDAKPGNTE-CQSZACIVSA-N 301.298 2.169 0 40 DEAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 223252251 ODNXWUXNBOGPDB-LSDHHAIUSA-N 316.430 2.209 0 40 DEAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(N)=O)cc1 225737943 VNVGIZOKOQPPMV-KRWDZBQOSA-N 322.405 2.475 0 40 DEAB O=C1N(CC2CC2)CCC12CCN(Cc1nccs1)CC2 96046874 PALVGIKZPNLGDF-UHFFFAOYSA-N 305.447 2.368 0 40 DEAB COCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)C1 96157593 AVHZTKVITSEJIP-UHFFFAOYSA-N 320.408 2.287 0 40 DEAB CCN1C[C@H]2[C@@H](C1)N(C(=O)c1ccccc1F)CC[C@H]2OC 96110973 AWLVAHMGIUNHDS-NUEKZKHPSA-N 306.381 2.007 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@H](CO)C1 96503329 DRNPSSDMYOCHNS-JSGCOSHPSA-N 322.453 2.421 0 40 DEAB CCn1cc([C@H](C)NC(=O)N2CCN(C3CC3)C[C@H](C)C2)cn1 334069665 GGEMOMYGXHHOMZ-KBPBESRZSA-N 319.453 2.090 0 40 DEAB Cc1csc(COC(=O)c2ccnc(-n3ccnc3)c2)n1 97098268 WZBYKYGUHVVIJD-UHFFFAOYSA-N 300.343 2.389 0 40 DEAB Cc1cnc(N2CCC3(CC2)COCCN(C(C)C)C3)nc1 96239839 YBYJMXJRQKMJDV-UHFFFAOYSA-N 304.438 2.112 0 40 DEAB CN(C)c1ncc2c(n1)[C@@]1(CCN(Cc3ccccc3)C1)COC2 96100220 JCODWVZWEUWPTI-LJQANCHMSA-N 324.428 2.217 0 40 DEAB O=C(CNC(=O)c1nc2ccccc2s1)Nc1cccnc1 95452361 ZMBXTWMQVLJQJF-UHFFFAOYSA-N 312.354 2.060 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2ccco2)[nH]n1 95480002 NZWISGRDFSQSBN-UHFFFAOYSA-N 307.313 2.476 0 40 DEAB COC(=O)CNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 96414237 PLVYSUIRRTULFP-SECBINFHSA-N 303.280 2.173 0 40 DEAB Cc1cc(NC[C@@H]2CC23CCOCC3)nc(-c2cccnc2)n1 579307749 UCANDTYXTVUMEA-HNNXBMFYSA-N 310.401 3.076 0 40 DEAB CC1(C)OC(=O)C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2 96116201 KJTDPTPNDROPCQ-LLVKDONJSA-N 305.330 2.128 0 40 DEAB biogenic COC[C@H]1C(=O)NCC12CCN(Cc1ccc(C)s1)CC2 96206138 MJKLAZKBHBKDHS-AWEZNQCLSA-N 308.447 2.031 0 40 DEAB COCC(=O)N[C@H](C(=O)N1CCC[C@@]2(CC=CCC2)C1)C(C)C 96420838 FQQWILYWVBEPQK-WMZOPIPTSA-N 322.449 2.123 0 40 DEAB c1ccc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)cc1 248091801 HFTGVZWRZRFYGJ-INIZCTEOSA-N 311.385 2.289 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCc2nc(C(C)C)no2)C1 257313284 URQZNGKHZDACJN-GFCCVEGCSA-N 317.393 2.173 0 40 DEAB O=C1OC2(CCOCC2)CN1c1cccc([C@@H]2CCCNC2)n1 257222585 DTXCUFATKMNNCF-CYBMUJFWSA-N 317.389 2.054 0 40 DEAB CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@H]1C(=O)O 42362754 NTXLUFHZBOFQMR-HTQZYQBOSA-N 318.192 2.190 0 40 DEAB Cc1nnc(NC(=O)c2ccc(OC3CCOCC3)nc2)s1 252571504 YBTSNUWDEHVIAF-UHFFFAOYSA-N 320.374 2.052 0 40 DEAB Nc1cccc([C@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 257260263 LCBIMLXMHSZUMW-MRXNPFEDSA-N 322.368 2.359 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc(F)ccc3F)CCO2)n1 257226530 FLAFSWDBTFUYJD-CYBMUJFWSA-N 307.300 2.210 0 40 DEAB COc1ccc(C[C@H]2CN(C(=O)c3ccccn3)CCO2)cc1 257215998 CSPUMKZXNDYKEI-INIZCTEOSA-N 312.369 2.174 0 40 DEAB CCn1nnc(C)c1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 297641520 JNVHYIBEDPRGNV-LBPRGKRZSA-N 313.405 2.339 0 40 DEAB Cn1ncnc1CNC(=O)NCc1cc2c(s1)CCCCC2 95404546 ZOSQTCKKEJYAOR-UHFFFAOYSA-N 319.434 2.145 0 40 DEAB Cc1c(CN2CCOC[C@H]2CC(=O)c2ccccc2)cnn1C 97162977 CFCCLSKOXMYFNW-QGZVFWFLSA-N 313.401 2.202 0 40 DEAB Cc1nc(C)c(C)c(N2CCN(Cc3cc(C)on3)CC2)n1 301423728 AVKPWJLPEITIND-UHFFFAOYSA-N 301.394 2.020 0 40 DEAB NC(=O)c1cccc(C(=O)N2CCC(C(F)(F)F)CC2)c1 81312219 UKGHDKTUHURFTA-UHFFFAOYSA-N 300.280 2.200 0 40 DEAB CC[n+]1ccc(/C(=C/c2ccccc2O)CS(=O)(=O)O)cc1 2145836 CUBKCSCNERXCTP-UHFFFAOYSA-O 320.390 2.128 0 40 DEAB CO[C@H](CCSC)CNS(=O)(=O)c1cccc(Cl)c1 1775967526 VJFDQFOWNCFKLK-LLVKDONJSA-N 323.867 2.386 0 40 DEAB CSCCCNC(=S)N1CCn2c1nc1ccccc12 5109700 FCEIFIHXBQWIRU-UHFFFAOYSA-N 306.460 2.484 0 40 DEAB COC(=O)[C@@H](C)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 5357050 LNFIKLYATOYOBI-SECBINFHSA-N 309.321 2.096 0 40 DEAB Cc1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl 5487074 OZCNIMNZQSRAAZ-MNOVXSKESA-N 316.835 2.302 0 40 DEAB COc1ccc2c(c1)s/c(=N/C(=O)c1cc(C)n(C)n1)n2C 12226458 UTOBYAFWHHCULA-FOCLMDBBSA-N 316.386 2.031 0 40 DEAB Cc1c2c(C(F)(F)F)cc(N3CCC(N)CC3)nc2nn1C 12398917 AHSUJWXWACONJO-UHFFFAOYSA-N 313.327 2.223 0 40 DEAB O=C(CNc1ccc(Cl)c(C(F)(F)F)c1)N1CCNC1=O 12765998 OKWFUTQACZKXLS-UHFFFAOYSA-N 321.686 2.323 0 40 DEAB O=C1CCCC[C@@H]2[C@H](CCN2C(=O)CCCc2ccccn2)N1 19713297 CLCYUXXQYFEIQP-JKSUJKDBSA-N 315.417 2.064 0 40 DEAB Cc1cnc(CCNC(=O)C2CN(C3CCCCC3)C2)s1 19747542 UXYATTRLFDPUEM-UHFFFAOYSA-N 307.463 2.375 0 40 DEAB CCN=c1ccnc(N2CCN([C@H](C)c3ccccc3)CC2)[nH]1 1889128707 HNSBFYZCTJCGKK-OAHLLOKOSA-N 311.433 2.214 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cccc(OC(C)C)c1 1614934245 ORSNUFDQASLVRN-GVDBMIGSSA-N 319.401 2.492 0 40 DEAB CSc1nccc(N2CCN(Cc3ccncc3F)CC2)n1 2086884805 PULUNEONJBMKOA-UHFFFAOYSA-N 319.409 2.055 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)/C=C\c1ccccc1 10255879 HMIGKSDMRNMBOZ-CPFIRTDXSA-N 306.365 2.404 0 40 DEAB Cc1ccsc1CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 40508921 ZYGBKSIXCNTWMI-VIFPVBQESA-N 320.336 2.084 0 40 DEAB O=C(CN1CCCCCC1=O)NC12CC3CC(CC(C3)C1)C2 46346802 CKZFAAJPUPUWNJ-UHFFFAOYSA-N 304.434 2.474 0 40 DEAB Cc1cccc(NC(=O)c2cnc3n(c2=O)CCS3)c1C 4089027 YZJRYKIGPHRQIF-UHFFFAOYSA-N 301.371 2.218 0 40 DEAB C[C@H]1Oc2ccc(NC(=O)COc3ccccc3)cc2NC1=O 12226479 XAGCDXQUJQFIKP-LLVKDONJSA-N 312.325 2.424 0 40 DEAB O=C(COC(=O)CSc1ccc(F)cc1)NCc1ccco1 21965213 XTBZBNMJSPNIHZ-UHFFFAOYSA-N 323.345 2.370 0 40 DEAB CCn1c(=O)[nH]c2cc(C(=O)Nc3ccc(C)cc3)ccc2c1=O 530351 SMIPRRCWFKHSPY-UHFFFAOYSA-N 323.352 2.270 0 40 DEAB O=C(O)CSc1nnc(-c2ccccn2)n1Cc1ccco1 533347 HVEMIZSIUJKPTO-UHFFFAOYSA-N 316.342 2.158 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1ccnc(-n2cncn2)c1 53760974 HMSFWJGMRYEIRW-GFCCVEGCSA-N 311.345 2.006 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccc[nH]c1=O)c1ccccc1Cl 22869938 FBKMLFVLRGSOHS-AWEZNQCLSA-N 319.792 2.061 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc(F)c(F)c1 22995094 YCRUBKUUSPPKNO-UHFFFAOYSA-N 319.311 2.449 0 40 DEAB NC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2F)cc1 58558349 QCBRPKLXDBRUDK-UHFFFAOYSA-N 305.284 2.385 0 40 DEAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)NC(N)=O)c1 12547157 XAWAPYSPZSHPCY-NSHDSACASA-N 318.402 2.165 0 40 DEAB O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC1CCCCC1 102440305 CXLQUXXKAQBKFF-OKILXGFUSA-N 306.406 2.001 0 40 DEAB C[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@@H](C)CO1 106510180 IBVZXKSENKSYBK-RYUDHWBXSA-N 317.838 2.223 0 40 DEAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cnns1 55455051 YCMHSDINFALJHB-UHFFFAOYSA-N 321.377 2.155 0 40 DEAB OC[C@@H]1CCCN1C[C@@H]1CCCN1CCOc1ccc(F)cc1 107070836 SNLIRKCFALWXBJ-IRXDYDNUSA-N 322.424 2.126 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3271069 CCAVJAULERRJAB-UHFFFAOYSA-N 303.314 2.152 0 40 DEAB CCn1cnnc1CNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F 56402156 MRPRHCAKCLPGBF-JTQLQIEISA-N 323.347 2.479 0 40 DEAB COc1ccc(C(=O)OCC(=O)N2CCC(C)CC2)cc1OC 3254550 CBHFNDSMMQWNNM-UHFFFAOYSA-N 321.373 2.119 0 40 DEAB CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(OC)c1 35214922 PPJMAQJWJCRDHK-FZMZJTMJSA-N 322.430 2.125 0 40 DEAB COc1ccc(CN2CCN(C[C@H]3CCCO3)CC2)cc1F 57884168 ZAEVNSBCDNNFIB-OAHLLOKOSA-N 308.397 2.131 0 40 DEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccoc1 44977848 ZXJGGWKUPLNHSQ-CYBMUJFWSA-N 306.387 2.412 0 40 DEAB Cc1ccc(CNC(=O)c2nnc(CN3CCCC3)s2)cc1 29937602 DXEHMGDXMHBEEX-UHFFFAOYSA-N 316.430 2.372 0 40 DEAB Cc1cc(NC(=O)Cc2csc(NC(=O)C(C)C)n2)no1 45008104 FIRVMLMOMOWKEK-UHFFFAOYSA-N 308.363 2.215 0 40 DEAB CC(C)C(=O)NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 3346115 LQRQCYWPTSQOLV-UHFFFAOYSA-N 317.263 2.161 0 40 DEAB CN(C)c1c(Cl)cccc1NC(=O)c1ccn(C)c(=O)c1 45760284 OFRGIBUBOOLVKV-UHFFFAOYSA-N 305.765 2.357 0 40 DEAB c1nc(N2CCC[C@@H](Cn3cncn3)C2)c2sccc2n1 69630332 DXKQHZBRHDCRBU-LLVKDONJSA-N 300.391 2.199 0 40 DEAB C[C@H]1Oc2c(cccc2C(=O)N(C)CCC(F)(F)F)NC1=O 69817773 DVTJLCYAQFEOBN-MRVPVSSYSA-N 316.279 2.430 0 40 DEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)cc1C 6110100 OVENSLZHLKLTIP-UHFFFAOYSA-N 305.374 2.192 0 40 DEAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N(C)Cc1ccccc1 5197106 NSEPSDUWQAGSFD-CYBMUJFWSA-N 316.357 2.495 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCN(C)CC1CCN(CCO)CC1 69927449 WOPYBFLICZHGQA-AEFFLSMTSA-N 312.498 2.218 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)CSc1nnc(N)s1 5636735 AHYIPZRNOMXVOB-SNVBAGLBSA-N 322.459 2.350 0 40 DEAB CN(C)C(=O)[C@H](OC(=O)c1ccc(F)cc1N)c1ccccc1 18750440 RXNFSFPHJZWUSX-OAHLLOKOSA-N 316.332 2.394 0 40 DEAB O=C(Nc1ccc(Br)cc1F)N1CCOCC1 5713446 FOOCDJFRYDLAND-UHFFFAOYSA-N 303.131 2.452 0 40 DEAB COc1ccccc1C[C@H]1CCCN(CCN2CCOC2=O)C1 66894179 RKYLWSHDJDSELM-OAHLLOKOSA-N 318.417 2.402 0 40 DEAB O=C(OCC(=O)N1CCOCC1)c1cc2cc(F)ccc2s1 7164526 WADZGDVGTPGWGD-UHFFFAOYSA-N 323.345 2.056 0 40 DEAB COc1ccc([C@H]2C[C@H]2C(=O)O[C@H]2C(=O)OCC2(C)C)cc1 68601196 NDNHGVZQDNAXRL-MCIONIFRSA-N 304.342 2.294 0 40 DEAB CC(=O)N1CCc2cc(C(=O)OCc3cncs3)ccc21 97050216 WNTRRZWYHLYKCQ-UHFFFAOYSA-N 302.355 2.409 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)C(C)(C)c2ccccc2F)C1 96426633 DVOHTTUPTOTFKG-LLVKDONJSA-N 308.353 2.060 0 40 DEAB CCCc1nc([C@H](NC(=O)CCOC)c2ccccc2)no1 96412088 WMWRYNKXXKLSJV-OAHLLOKOSA-N 303.362 2.264 0 40 DEAB Cc1cccc([C@H](CNCc2c[nH]nc2C)N2CCOCC2)c1 71819575 GJQUTLCXZJHIHQ-SFHVURJKSA-N 314.433 2.190 0 40 DEAB CC(C)c1ncncc1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 71819743 HNTMNTCUAFHWQN-AWEZNQCLSA-N 312.373 2.096 0 40 DEAB C[C@@H](NC(=O)NCCOc1ccc(F)c(F)c1)[C@H]1CCCO1 72270120 ANUSMNGBZXHFBM-QMTHXVAHSA-N 314.332 2.210 0 40 DEAB O=C(Cc1ccc(Br)cc1)Nn1cn[nH]c1=S 9647733 MRQZTUXRDGHDNU-UHFFFAOYSA-N 313.180 2.016 0 40 DEAB CC[S@@](=O)CCNC(=O)c1occc1COc1ccccc1 72283746 QWXAMLZAJRBUNQ-QFIPXVFZSA-N 321.398 2.357 0 40 DEAB Cc1ccnc(-c2ccc(NC(=O)N3CCC[C@@H](O)C3)cc2)n1 72286348 JKCUDBGRSRLFCV-OAHLLOKOSA-N 312.373 2.441 0 40 DEAB OC[C@@H]1CCCN1c1cc(NCCCOC2CCCC2)ncn1 72276212 TUJNBLIPXJTRRW-AWEZNQCLSA-N 320.437 2.199 0 40 DEAB O=S(=O)(Nc1cc(-c2cccs2)[nH]n1)c1cccnc1 72291154 BTDWVASWIPEKIE-UHFFFAOYSA-N 306.372 2.334 0 40 DEAB O=C(CNC(=O)Nc1ccncc1F)Nc1ccc(F)cc1 97135547 ABRUOWZLLOJBSO-UHFFFAOYSA-N 306.272 2.120 0 40 DEAB COC(=O)C1(CNC(=O)Cc2ccc(C)nc2)CCCCC1 97107016 NMUFJCMIRXVFLH-UHFFFAOYSA-N 304.390 2.172 0 40 DEAB O=C(NC1(c2noc(C3CC3)n2)CCCC1)c1ncccc1O 97102418 DDMVXJQMBOMHEA-UHFFFAOYSA-N 314.345 2.247 0 40 DEAB CCc1cc(N2CC[C@H](CNc3ccccn3)C2)n2ncnc2n1 97200915 RRVNGJMHWJBPLI-CYBMUJFWSA-N 323.404 2.020 0 40 DEAB O=C(NC[C@@H]1SCCc2ccccc21)N1CCC[C@@H](CO)C1 84582070 GIHLFPYEQRRHFP-CJNGLKHVSA-N 320.458 2.431 0 40 DEAB CN(CC1CCC1)C(=O)NCc1nccn1CC(F)(F)F 95395168 SZUKSJWTCGTEEN-UHFFFAOYSA-N 304.316 2.387 0 40 DEAB NS(=O)(=O)c1cnc(N[C@H]2CCc3cc(F)ccc32)s1 95347296 OYGATEKGNHGGRQ-JTQLQIEISA-N 313.379 2.029 0 40 DEAB O=C(NC1(c2ccccc2)CC1)[C@@H]1CCCN(C(=O)C2CC2)C1 95397005 DMVRAOAUAOEBCE-OAHLLOKOSA-N 312.413 2.441 0 40 DEAB COc1ccc(F)cc1C(=O)N[C@H]1c2ccccc2C[C@H]1O 95447883 CMYQROHABPNIIR-ZBFHGGJFSA-N 301.317 2.222 0 40 DEAB CCC(CC)(CCO)CNC(=O)[C@H](C)c1c(C)nn(C)c1C 95417904 KGENTJXFXDBOKW-GFCCVEGCSA-N 309.454 2.445 0 40 DEAB Cc1ccc(O[C@H](C)CNC(=O)Nc2cccn(C)c2=O)cc1 95962291 KWRJYJKRKRYFKC-CYBMUJFWSA-N 315.373 2.283 0 40 DEAB O=C(NC[C@@]1(O)CCSC1)N[C@H](Cc1ccccc1)C1CC1 89830112 DDQFJMOKJVYSHH-WBVHZDCISA-N 320.458 2.175 0 40 DEAB O=C1[C@@H](NC[C@H]2CCCn3ccnc32)CCN1c1ccccc1 89845609 LHRMDPPDGZJSCV-ZBFHGGJFSA-N 310.401 2.156 0 40 DEAB Nc1ncccc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 67292110 SCCIRELGDSSSGB-UHFFFAOYSA-N 316.792 2.280 0 40 DEAB O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 524741996 PGTVRCJFXZWESI-BPLDGKMQSA-N 316.401 2.207 0 40 DEAB COc1ccc(-c2ccc3nnc([C@H]4CCCNC4)n3n2)cc1 217561634 KKBWMFUJLPHHIA-ZDUSSCGKSA-N 309.373 2.267 0 40 DEAB O=C(O)COCC1CCN(C(=O)OCc2ccccc2)CC1 79390220 PXLORBAUWPKELT-UHFFFAOYSA-N 307.346 2.136 0 40 DEAB O=C(OCCc1cccs1)c1cn(Cc2ccccn2)nn1 76904332 AYKPMNJCIDUBSG-UHFFFAOYSA-N 314.370 2.182 0 40 DEAB Cn1cc(C(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cn1 72351226 YLDAAEFGXWJKHY-CYBMUJFWSA-N 309.373 2.316 0 40 DEAB O=S(=O)(Nc1ccccn1)c1ccc(-n2cccn2)cc1 6887437 LLVCXABPESMQNU-UHFFFAOYSA-N 300.343 2.068 0 40 DEAB Nc1cc(N)cc(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634274 VOUPKQWZNKKPFD-UHFFFAOYSA-N 300.269 2.036 0 40 DEAB O=S(=O)(CCc1ccccc1)NC[C@H](O)C1CCCCC1 70636700 HORCOASSGZUGMV-INIZCTEOSA-N 311.447 2.090 0 40 DEAB CN1C(=O)[C@@]2(CC(O)=Nc3[nH]ncc32)c2cc(Cl)ccc21 31806846 OQDYIQYUCFQURX-AWEZNQCLSA-N 302.721 2.317 0 40 DEAB CC(C)=CCN1CCC(NC(=O)[C@@H](O)c2ccccc2)CC1 73471878 XMNVMYIPHQVAOY-KRWDZBQOSA-N 302.418 2.267 0 40 DEAB O=S(=O)(NC[C@@H]1CCCNC1)c1cccc(Cl)c1Cl 44502202 VTZUFTWKYGJOCS-SECBINFHSA-N 323.245 2.271 0 40 DEAB Cn1ccc(CCC(=O)N2CCC(F)(c3ccccn3)CC2)n1 563266205 FVJAEVODVAPASP-UHFFFAOYSA-N 316.380 2.235 0 40 DEAB C[C@H]1CC=CC[C@H]1COC(=O)c1cn(Cc2ccccn2)nn1 76906128 ZPAUQRJHOOORKF-KBPBESRZSA-N 312.373 2.481 0 40 DEAB CCOC(=O)c1cnc2cc(-c3cccc(F)c3)[nH]n2c1=O 136190508 XAZMPAATYIOUEL-UHFFFAOYSA-N 301.277 2.005 0 40 DEAB CC(C)Nc1c(Cl)cccc1NCC(=O)N1CCOCC1 89118278 OUZYXOJLCPEYDM-UHFFFAOYSA-N 311.813 2.431 0 40 DEAB Cc1nc(CCCNC(=O)[C@H]2C[C@H]2c2ccc(C)s2)n[nH]1 80973224 MYDZGOKPWYEKOT-NEPJUHHUSA-N 304.419 2.336 0 40 DEAB COc1nccnc1O[C@@H]1CCN(C(=O)Nc2cccs2)C1 225389170 LSHJBSNZCVJLHC-SNVBAGLBSA-N 320.374 2.232 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(N3CCCC3)c2)C1 45958191 MIQQEAKAUSLKQJ-CYBMUJFWSA-N 302.374 2.203 0 40 DEAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(O[C@H]2CCOC2)cc1 96417572 BLWVWMOLTFXJMX-CJNGLKHVSA-N 306.406 2.427 0 40 DEAB O=C(c1ccoc1)N1CCn2cnc(COCC3CC3)c2C1 96085161 OFEMCCXJPJZTOS-UHFFFAOYSA-N 301.346 2.059 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccoc1 96184565 KUKCUBSUZDRFKS-KGLIPLIRSA-N 303.387 2.225 0 40 DEAB CC(C)NC(=O)N1CC[C@@]2(CCCN(c3ccccn3)C2)C1 96216810 OSAZQDGYPJAUMQ-QGZVFWFLSA-N 302.422 2.492 0 40 DEAB Fc1cnc(N[C@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)nc1 96048526 OTFFWIMDPFXUBN-GDBMZVCRSA-N 306.385 2.061 0 40 DEAB Cc1n[nH]c(-c2ccc(C(=O)OCCCn3cccn3)cc2)n1 96470528 YTXZIUCEJOZURY-UHFFFAOYSA-N 311.345 2.224 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)c1ccc(-c2nn[nH]n2)cc1 1591139840 CVXPZZLIKUYWDK-UHFFFAOYSA-N 311.320 2.278 0 40 DEAB CCn1ncc2c1CN(C(=O)Cc1cccs1)C[C@H]2COC 96044582 OHTIGMXTVUEGDA-LBPRGKRZSA-N 319.430 2.279 0 40 DEAB COC(=O)c1nc(NC(=O)c2n[nH]c3c2CCCC3)sc1C 95475942 IKBDTIDICRAKDU-UHFFFAOYSA-N 320.374 2.092 0 40 DEAB COCCN1CCOC[C@@]2(CCCN(Cc3cccs3)C2)C1 96049456 SSJAKBHHDFLBNL-KRWDZBQOSA-N 324.490 2.309 0 40 DEAB CCc1cc(C(=O)NC2(c3ncon3)CCOCC2)sc1C 97378204 LEGDUHMMOCPBHQ-UHFFFAOYSA-N 321.402 2.438 0 40 DEAB CC(C)(CNC(=O)C(=O)Nc1cccnc1)Cc1ccccc1 96409737 OKXYMNRIKKNRNU-UHFFFAOYSA-N 311.385 2.405 0 40 DEAB Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[C@H]2C(=O)O)n1 253388807 NYVSOVPDXKAGFF-UPJWGTAASA-N 321.377 2.323 0 40 DEAB CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1nnn[nH]1 252492419 MLQZEAXOOGQYEL-SECBINFHSA-N 313.283 2.426 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)n1 257210949 BWVNXCUZNJOIST-GFCCVEGCSA-N 304.419 2.350 0 40 DEAB NC(=O)CCCNC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1 48232709 SIOKDADJSBORBB-UHFFFAOYSA-N 314.172 2.470 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cc(C)no2)cc1 48908415 JKKJTQZPXMBFRU-NSHDSACASA-N 315.373 2.441 0 40 DEAB Cc1noc([C@H](C)NC(=O)NCCO[C@H]2CCCC[C@@H]2C)n1 69589057 XDUQHAZNIBVGER-GVXVVHGQSA-N 310.398 2.334 0 40 DEAB Cn1cc(Cl)c(NC(=O)c2cc(C(F)(F)F)n(C)n2)n1 1548452876 QQOPPKLZNHYNDK-UHFFFAOYSA-N 307.663 2.078 0 40 DEAB Cn1cc(Br)cc1C(=O)N1CCCC[C@H]1CCN 70148933 DFAOYIJEJHUATE-NSHDSACASA-N 314.227 2.131 0 40 DEAB Cc1nn(C(F)F)c(C)c1CC(=O)NO[C@H]1CCCCO1 65498008 ITLVUTZNIFWXBS-LBPRGKRZSA-N 303.309 2.012 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025383 CILHBRIHWUTPAJ-GDBMZVCRSA-N 319.426 2.418 0 40 DEAB Cc1cc(N2CCN(C)CC2)nc(SC(=O)c2ccco2)n1 5725061 FOIAXAMDHSRUOX-UHFFFAOYSA-N 318.402 2.062 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cnn(C)c3)C2)c1 643914368 PRCWNHPQLHTERP-SFHVURJKSA-N 315.417 2.134 0 40 DEAB Cc1cc(S(=O)(=O)NC[C@H](N)c2ccccc2)c(C)s1 36297642 VBBMSWFRSCNMML-ZDUSSCGKSA-N 310.444 2.343 0 40 DEAB in-vitro O=C(NCc1cccnc1)c1cccnc1OCC(F)(F)F 24536558 GCTGBKPGWICKPL-UHFFFAOYSA-N 311.263 2.348 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NCCc2cccc(Cl)c2)C1 27955115 DMLFPSXWMQGLKD-LBPRGKRZSA-N 316.854 2.449 0 40 DEAB O=C(Nc1ccc(F)cc1F)[C@H]1CC[C@H](C(F)(F)F)NC1=O 32652541 YJMVNPZIVXZDMU-GMSGAONNSA-N 322.233 2.360 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)N1CCCCCC1 22409449 XXMXVPCABHBFGW-UHFFFAOYSA-N 303.405 2.099 0 40 DEAB O=C(N1CCc2c(COCC3CC3)cncc2C1)C1(F)CC1 1565543968 MRCPRQNTGNANEP-UHFFFAOYSA-N 304.365 2.395 0 40 DEAB Cc1cc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)no1 3007501 AICKSPBRULOPRJ-UHFFFAOYSA-N 324.296 2.078 0 40 DEAB Cc1ccc(=O)n(CC2CN(c3ncccc3C(F)(F)F)C2)n1 585602878 CGXRNMDEITXVAD-UHFFFAOYSA-N 324.306 2.102 0 40 DEAB Cc1noc(C)c1CC(=O)NCc1ccnc(N2CCCC2)c1 40489833 VHPCDNPTJRBDEY-UHFFFAOYSA-N 314.389 2.146 0 40 DEAB CCOC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCC2 137164 HYBBBRRNOUIKQD-UHFFFAOYSA-N 322.430 2.448 0 40 DEAB Cn1cnnc1-c1cccc(NC(=O)COc2ccccc2)c1 31806782 HCCGMRWFDPCDJF-UHFFFAOYSA-N 308.341 2.500 0 40 DEAB C[C@@H]1CN(C(=O)Cc2csc(-c3ccncc3)n2)C[C@@H](C)O1 31864929 UFQKLACWEFTDLY-VXGBXAGGSA-N 317.414 2.383 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3C2)cn1 69708331 SPUQRVBRKHNLBE-ZBFHGGJFSA-N 311.385 2.335 0 40 DEAB C[C@](O)(CNC(=O)NCCC1=CCOCC1)c1ccc(F)cc1 89901028 NXPQLMVKEUCZDF-KRWDZBQOSA-N 322.380 2.069 0 40 DEAB Cc1ccc([C@@H](C)n2cc(C(=O)NC[C@H]3CCCO3)nn2)cc1 4504540 JSQDBGORPFZZBT-UKRRQHHQSA-N 314.389 2.105 0 40 DEAB O=CN[C@@H]([S@@](=O)Cc1ccccc1)C(Cl)(Cl)Cl 6061425 FGEGMDFUROQELP-HUTHGQBESA-N 314.621 2.378 0 40 DEAB CCN(CCCNC(=O)c1cnc(C)cn1)C(=O)OC(C)(C)C 52776364 ZGSJDQOMFAOZHP-UHFFFAOYSA-N 322.409 2.162 0 40 DEAB CS(=O)(=O)NCCCCN1CCC(Cc2ccccc2)CC1 68938665 QQCLGUSNAGLYBV-UHFFFAOYSA-N 324.490 2.271 0 40 DEAB Nc1nccnc1C(=O)Nc1ccc(OCC(F)(F)F)cc1 11984230 QDKWSOVYTUSNNC-UHFFFAOYSA-N 312.251 2.252 0 40 DEAB CCn1cc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cn1 46468282 YQTZLORYGPVRQM-ZDUSSCGKSA-N 304.398 2.336 0 40 DEAB CCn1cc(CN(C)S(=O)(=O)c2ccc(F)cc2)c(C)n1 2764685 ZOQURSFOWKAVON-UHFFFAOYSA-N 311.382 2.171 0 40 DEAB COc1ccccc1[C@@H]1CCCN1CCC(=O)N1CCOCC1 69084941 TUPDOWVTHRFYHF-INIZCTEOSA-N 318.417 2.081 0 40 DEAB COC(=O)CNC(=O)c1ccc(COc2ccc(C)cc2C)o1 52997938 UMHIYHMQMISMFE-UHFFFAOYSA-N 317.341 2.378 0 40 DEAB CCCc1ncc(CN2CCN(C3CCCCC3)C(=O)C2)cn1 57811430 IABXYOBGNROETJ-UHFFFAOYSA-N 316.449 2.406 0 40 DEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@@H]2CCC[C@H]21 53379143 QJCVJGXTVBBFBL-IAGOWNOFSA-N 311.385 2.325 0 40 DEAB C[C@@H](c1cccc(F)c1)N1CCN(C(=O)c2ccnn2C)CC1 103974082 MEYICUPYOBYAHG-ZDUSSCGKSA-N 316.380 2.078 0 40 DEAB CCNC(=O)c1ccc(N[C@@H]2CCOC3(CCCC3)C2)nn1 104299221 RPNXHULNIZAUFY-GFCCVEGCSA-N 304.394 2.130 0 40 DEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2O)C1=O 981012 QANQQTOLPSOZHB-KWINOFQJSA-N 321.354 2.380 0 40 DEAB CCN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 55169857 WTJFMFLQCCRJFB-UHFFFAOYSA-N 313.401 2.438 0 40 DEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1CCCCCC1 8119207 NMVSFVYDNXHSAR-NSHDSACASA-N 302.378 2.059 0 40 DEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1CCc1ccccc1 55486285 QHGKQEAWEGUMKV-HOTGVXAUSA-N 321.442 2.045 0 40 DEAB CC(C)c1nnc(NC(=O)NCc2ccnc(N(C)C)c2)s1 43696637 BDDIBFLRCUQOKZ-UHFFFAOYSA-N 320.422 2.444 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1cccs1 26365847 ZQCSHZAGHNXLPL-AWEZNQCLSA-N 303.383 2.191 0 40 DEAB CCCOC(=O)c1ccc([C@@H]2N=c3cc(C)c(N)cc3=N2)cc1 103533848 MGQRJWYBZDALKP-QGZVFWFLSA-N 309.369 2.096 0 40 DEAB Cc1ccc(OCC(=O)Nc2cc(-n3cnnn3)ccc2C)cc1 44598972 RICJTJYREWRJQB-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB CC[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccccc1OC 48198712 BMTYUVLLFRIALY-OCCSQVGLSA-N 304.390 2.131 0 40 DEAB O=C(Nc1ccn(Cc2cccnc2)n1)c1cc(C2CC2)[nH]n1 58265454 OBDDLUFPRCAXMS-UHFFFAOYSA-N 308.345 2.179 0 40 DEAB CCOC(=O)C1(NC(=O)[C@H]2Cc3ccccc3O2)CCCCC1 58264703 BAMDPYIIOVFEBM-OAHLLOKOSA-N 317.385 2.372 0 40 DEAB COc1ccccc1OCCN(C)CCn1c(C)csc1=O 44976876 IHKCMGMWPPIONR-UHFFFAOYSA-N 322.430 2.238 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H]1CN1CCCC1 58379536 SDVXBYUBEOKULT-QGZVFWFLSA-N 314.429 2.251 0 40 DEAB CCN1CCC(CNS(=O)(=O)c2ccc(C)s2)CC1 48354071 WIEKFYOAHCHTJZ-UHFFFAOYSA-N 302.465 2.067 0 40 DEAB O=C(CCn1ccnc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 8216822 AFNLXCRCSVZASM-UHFFFAOYSA-N 316.405 2.068 0 40 DEAB CCOc1ccccc1NC(=O)COC(=O)c1c(C)noc1C 3564867 GTHJBEDRPOCNEG-UHFFFAOYSA-N 318.329 2.486 0 40 DEAB O=C([C@@H](NCCn1cccn1)c1ccccc1)N1CCCCC1 69485254 NXPMGZYMINABJR-KRWDZBQOSA-N 312.417 2.227 0 40 DEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N1CCSCC1)(C3)C2 49214846 SWAJAOCILLMWQC-CBHXASLJSA-N 322.474 2.037 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Cc1c[nH]c2cc(F)ccc12 69597003 RQZAXIJCXCTJFJ-LLVKDONJSA-N 300.337 2.251 0 40 DEAB CCc1cc(C(=O)N2CCN(CC(C)(C)O)CC2)sc1C 69928341 GDHRRZGWNGFMTR-UHFFFAOYSA-N 310.463 2.148 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)c1csc2c1CC[C@@H](C)C2 65415449 ZZGLYVDQRGJHSM-OLZOCXBDSA-N 322.474 2.323 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 69928121 CTIOJOLNQOZPDV-CQSZACIVSA-N 300.406 2.260 0 40 DEAB Cc1cccc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)n1 65487617 WZYZLHPCJBWWAG-MRXNPFEDSA-N 312.417 2.023 0 40 DEAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(c2ccncc2)C1=O 65549143 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96484025 DMUWBNMPYDXFKK-CYBMUJFWSA-N 314.414 2.412 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@H]1NCCOc1ccccc1Cl 97033441 GMPAUUZTFBWKCY-OCCSQVGLSA-N 317.838 2.274 0 40 DEAB COC(=O)CN(C(=O)c1ccncc1F)c1cccc(F)c1 83891281 DLKCDYKLFIOWSV-UHFFFAOYSA-N 306.268 2.180 0 40 DEAB CCN(C(=O)COC(=O)c1ncsc1NC)c1ccccc1 71914274 QOVRXBKVKKEGDS-UHFFFAOYSA-N 319.386 2.395 0 40 DEAB O=C(CCN1CCCCC[C@@H]1c1ccco1)N1CCOCC1 71914926 ICNLPHNNOZAAKI-OAHLLOKOSA-N 306.406 2.446 0 40 DEAB Cn1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1=O 72299860 USQQHGSTLXNPIB-CQSZACIVSA-N 314.389 2.025 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)[C@H](C)OC3CCCC3)C2)n1 72283321 VBSRHPCGMBSALH-WFASDCNBSA-N 320.437 2.406 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)no1 72232367 UUZYXNARPKAXJZ-CHWSQXEVSA-N 317.393 2.357 0 40 DEAB Cc1csc(Nc2ccc(NC(=O)Cn3cncn3)cc2)n1 72277511 DGENUUZILABVDB-UHFFFAOYSA-N 314.374 2.425 0 40 DEAB CCC(CC)(CCO)CNC(=O)NCCN1CCCC[C@H]1C 72932577 MOYTWBHNBHWUIS-OAHLLOKOSA-N 313.486 2.349 0 40 DEAB CCc1ccsc1CNC(=O)N1CCC[C@@H]1c1nncn1C 95453742 ANJZKUSSTHTJSX-GFCCVEGCSA-N 319.434 2.486 0 40 DEAB C[C@@H](NCCNS(=O)(=O)c1ccccc1)c1cccs1 95421132 UJIGPPNWOASJAZ-GFCCVEGCSA-N 310.444 2.377 0 40 DEAB CC(C)(C)c1cnc(C(=O)NCc2ccccc2OCCO)o1 95400930 HNNOVOIDNOSZGD-UHFFFAOYSA-N 318.373 2.273 0 40 DEAB Cc1cc(C(=O)Nc2ccc3c(c2)N(C)CCN(C)C3)on1 95986352 ZYOIXPAASZPVIL-UHFFFAOYSA-N 300.362 2.117 0 40 DEAB Cc1cc(C)nc(NCCC(=O)Nc2nc3c(s2)CCC3)n1 79480001 BAYBOOLYLWZUHF-UHFFFAOYSA-N 317.418 2.479 0 40 DEAB COC(=O)C[C@H]1CN(Cc2cccc(C(F)(F)F)c2)CCO1 89400713 WMNRKAAWLSBVKT-ZDUSSCGKSA-N 317.307 2.469 0 40 DEAB CC1(C)CN(C(=O)c2ccc(-n3ccnn3)cc2)CCS1 89849542 NXKMSNOVYDMHGN-UHFFFAOYSA-N 302.403 2.235 0 40 DEAB Cc1ccc(C2=NO[C@H]3CN(Cc4cnc(C)nc4)C[C@@H]23)cc1 72343263 KCKNPCIQBQAPDZ-SJORKVTESA-N 308.385 2.328 0 40 DEAB COc1ncccc1C(=O)N[C@@H](c1ccccc1)c1n[nH]c(C)n1 79352370 PXACNLBJCFWLOR-AWEZNQCLSA-N 323.356 2.036 0 40 DEAB CC(C)N(CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 79391704 OYGRQARHVPQSKP-QGZVFWFLSA-N 320.433 2.490 0 40 DEAB c1ccc(COC[C@H]2CCN(c3ncnc4[nH]cnc34)C2)cc1 78464884 BJDRCVZOAAOWGJ-AWEZNQCLSA-N 309.373 2.396 0 40 DEAB CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccn2C)C1 78393918 LKTCTGGKGHDCFW-CYBMUJFWSA-N 321.421 2.497 0 40 DEAB COc1ccc(C)cc1S(=O)(=O)NCC[C@H](O)C(C)(C)C 72242647 MACJQEYOCCAFML-AWEZNQCLSA-N 315.435 2.079 0 40 DEAB O=c1n(Cc2ccccn2)nc2c3ccccc3nc(C3CC3)n12 72347197 BTNMCTUYCQPYBY-UHFFFAOYSA-N 317.352 2.365 0 40 DEAB O=C1OCCCN1CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 84580059 QVTRRMWUGUJXRT-CQSZACIVSA-N 306.337 2.332 0 40 DEAB CC(C)NC[C@@H](O)COCCOC12CC3CC(CC(C3)C1)C2 41689895 HNUOUFXIWZJQHO-AWDGRILASA-N 311.466 2.347 0 40 DEAB Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)oc2c(Cl)cccc12 41126585 BQDRYYNOINZXLK-SECBINFHSA-N 306.749 2.342 0 40 DEAB Cc1cnc(C)c(N2CCN(Cc3ccc(Cl)cn3)CC2)n1 195563972 ZLWMVFANWXWQBR-UHFFFAOYSA-N 317.824 2.464 0 40 DEAB Cn1ccnc1CNC(=O)c1ccccc1NCc1cccnc1 81778760 XLAUQMFBRSMIKC-UHFFFAOYSA-N 321.384 2.357 0 40 DEAB CCc1nc(C)cc(N2CCC(n3cc(C(=O)O)cn3)CC2)n1 576349573 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CCS(=O)(=O)[C@H](CO)[C@@H](N)c1ccc(-c2ccccc2)cc1 96525191 ZFXTZRAISOKMKA-SJORKVTESA-N 319.426 2.149 0 40 DEAB Fc1ccc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)cc1 247504710 GMZANJOEQUBBDF-BHYGNILZSA-N 316.380 2.097 0 40 DEAB Cc1ncsc1-c1ccc(C(=O)N2CCC(O)CC2)cn1 257292469 QLQDZEYGEBOWNZ-UHFFFAOYSA-N 303.387 2.110 0 40 DEAB CC1CCN(c2nn(-c3ccccc3F)nc2C(=O)O)CC1 256046627 HEESNMHANUSERO-UHFFFAOYSA-N 304.325 2.341 0 40 DEAB Cc1cncc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 257279906 OIQOESJATGIDDD-CQSZACIVSA-N 314.389 2.339 0 40 DEAB CC(C)[C@H](CNc1ncnc2ccsc12)N1CCN(C)CC1 44406417 BNZSQZQSRAXREZ-AWEZNQCLSA-N 319.478 2.375 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 51444031 KUNHPXQIRQZVNN-LLVKDONJSA-N 322.792 2.176 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(Cc3ccccc3OC)nc2c1 69443972 IQWLYBPSRCMFKU-UHFFFAOYSA-N 324.336 2.309 0 40 DEAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(N)s2)cc1 5636546 MQXVIRCZVIFBRN-UHFFFAOYSA-N 322.415 2.444 0 40 DEAB CN(C)c1cc(N2C[C@@H](C(=O)O)C3(CCCCC3)C2)ncn1 575608957 QGSIFBKMHUBYNP-LBPRGKRZSA-N 304.394 2.014 0 40 DEAB Cc1nc2c(c(N3CCN(C(=O)OC(C)(C)C)CC3)n1)CCC2 1888890709 INYBASCHJWYXAT-UHFFFAOYSA-N 318.421 2.331 0 40 DEAB CN(C)c1ccc(N2CCN(Cc3cccc(F)c3)CC2)nn1 1889118435 PRGRAQDHGSEORU-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB Cc1ncnc(N2CCN(c3cnc4ccccc4n3)CC2)c1C 1776008334 BFXLYNHCTWPWFN-UHFFFAOYSA-N 320.400 2.363 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(C(=O)CCF)C3)CC2=O)cc1 1565547117 KTUBYCZTENABCP-KRWDZBQOSA-N 304.365 2.310 0 40 DEAB O=C1CC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1CC1CCC1 1565550824 GJSXJZFNYVVDNF-UHFFFAOYSA-N 315.417 2.270 0 40 DEAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3cc(C)on3)cn2)cc1 13806777 XRDKDNDMTHQWAM-UHFFFAOYSA-N 324.340 2.154 0 40 DEAB Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1 85928 DIRSAKINNDSBOM-INIZCTEOSA-N 316.744 2.335 0 40 DEAB COc1cc2c(cc1CN[C@@H](C)CN1CCCC1=O)O[C@@H](C)C2 40153274 HPWKUKCTWYLOFW-STQMWFEESA-N 318.417 2.119 0 40 DEAB Cc1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccccc2)cc1 100799065 KZALQMWVVYVNMM-OAGGEKHMSA-N 308.337 2.129 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2c(C)nn(C)c2Cl)n1 40541198 JZNKKNDWLWFYDU-VIFPVBQESA-N 323.828 2.261 0 40 DEAB COc1cccc([C@H](CNC(=O)c2scnc2C)N(C)C)c1 40533870 UVARCUHJUBHXQM-AWEZNQCLSA-N 319.430 2.493 0 40 DEAB COC(=O)[C@@H](C)CN(C)S(=O)(=O)C1=Cc2ccccc2CC1 45815733 ZVDJAQZEMPRCRV-LBPRGKRZSA-N 323.414 2.044 0 40 DEAB Cc1ccc(C(F)(F)F)cc1NCC(=O)N1CCOCC1 91479577 MQUXOFJXNWTVAE-UHFFFAOYSA-N 302.296 2.285 0 40 DEAB CN(C(=O)COC(=O)c1cc[nH]n1)[C@@H]1CCCc2ccccc21 46349818 JRVZOURICWYBFZ-OAHLLOKOSA-N 313.357 2.103 0 40 DEAB Cc1ccc(C)c(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c1 379208 RDHMIIXRSQJARG-UHFFFAOYSA-N 324.446 2.128 0 40 DEAB O=C(Cn1cnnn1)OCc1ccccc1Oc1ccccc1 21332803 OHOLGOMXYGYQRS-UHFFFAOYSA-N 310.313 2.209 0 40 DEAB Cc1ccnc(NC(=O)CN(C)CC(=O)c2cc(C)[nH]c2C)c1 69737123 RNHQNMQXTAIQLQ-UHFFFAOYSA-N 314.389 2.088 0 40 DEAB COC(=O)C1CCN(C(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)CC1 4820602 BPRITJYXGXYPLC-MSOLQXFVSA-N 321.417 2.184 0 40 DEAB S=C(NC[C@@H]1COc2ccccc2O1)N[C@@H]1C[C@H]2CC[C@H]1C2 102426541 GRGQVGNDBSEXTN-IGQOVBAYSA-N 318.442 2.479 0 40 DEAB CCOC(=O)N1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1 6594928 YWACEAIYTKUIQJ-CMDGGOBGSA-N 302.374 2.309 0 40 DEAB CCN1CCN(c2ccc(NC(=O)C(F)(F)F)cc2)CC1 7387831 RHELFPFFNDYTFN-UHFFFAOYSA-N 301.312 2.329 0 40 DEAB CCOc1cc(CNc2nnnn2C)cc(Cl)c1OCC 8253909 YCAWQOHFFBQPFZ-UHFFFAOYSA-N 311.773 2.273 0 40 DEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cnn(C)c1C 89969178 BCLLPYCNEVEILQ-CYBMUJFWSA-N 315.373 2.031 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)N(C)CCCn2ccnc2)C12CCC2 89985738 SMBHMJSQNSVZLJ-CABCVRRESA-N 320.437 2.262 0 40 DEAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(C)cc1C 52834011 ILTPSJMIMBRGOU-UHFFFAOYSA-N 311.389 2.300 0 40 DEAB CCn1nnc2cc(C(=O)NC[C@@H]3Cc4ccccc4O3)ccc21 33112529 HRPAVNDGJQFDEQ-AWEZNQCLSA-N 322.368 2.185 0 40 DEAB COc1ccc(CC(=O)NC(=S)Nc2nccs2)cc1 587031 MXCPHQCTIGNRCV-UHFFFAOYSA-N 307.400 2.207 0 40 DEAB CCn1ncc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 101599027 LQTDTJWFWHSHQS-ZRJCITRHSA-N 311.451 2.314 0 40 DEAB COCc1nnc(S)n1-c1cnn(Cc2ccc(C)cc2)c1 2809478 WWQMTVLJYGSNFB-UHFFFAOYSA-N 315.402 2.256 0 40 DEAB Cc1nnc2n1CCN(Cc1csc(-c3ccco3)n1)C2 69456841 BSKRIQUJNGUTCJ-UHFFFAOYSA-N 301.375 2.319 0 40 DEAB O=C1NC(=O)[C@H]2[C@H]1ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 102802632 JOZFRLCLDICRRS-FRRDWIJNSA-N 318.716 2.067 0 40 DEAB O=C(NCCCN1CCOCC1)Nc1nc2ccccc2s1 22892826 BHCKTQDHUNTSQH-UHFFFAOYSA-N 320.418 2.140 0 40 DEAB Cc1nn(CC(C)C)c(Cl)c1CN[C@@H]1CCc2ncnn2C1 69488997 CGJYQCMUTTUWGO-GFCCVEGCSA-N 322.844 2.197 0 40 DEAB C[C@@H](CNC(=O)NCCCNC(=O)C1CCC1)c1cccs1 89901040 ZXVBWGDRVRUELV-LBPRGKRZSA-N 323.462 2.457 0 40 DEAB COc1cc2nc(NCc3cc(C)on3)nc(N)c2cc1OC 75610196 DRACALUAHDMVSB-UHFFFAOYSA-N 315.333 2.138 0 40 DEAB CC(C)N1CCC[C@H](CNC(=O)[C@H]2Cc3ccccc3O2)C1 106516571 IKWUGCLBQXSMFZ-RHSMWYFYSA-N 302.418 2.227 0 40 DEAB CNC(=O)c1cccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)c1 76090324 AKGVSKGIOBEQHO-HUUCEWRRSA-N 313.357 2.193 0 40 DEAB Cc1nnc(SCc2ccc(C(C)C)cc2)n1CC(N)=O 76994546 AAIFJCNBSWZGQF-UHFFFAOYSA-N 304.419 2.488 0 40 DEAB O=C(c1cccs1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070919 YXTBOMARDMJIMZ-CQSZACIVSA-N 312.394 2.330 0 40 DEAB Cc1cc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)n(C)n1 44911141 QCXHBVLEYUVDNF-CYBMUJFWSA-N 312.373 2.258 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@H]1CN1CCCC1 58323516 GEFOZHXOCPBQDL-AWEZNQCLSA-N 306.381 2.291 0 40 DEAB CC[C@@H](CO)NC[C@@H](O)Cn1c(C)c(C)c2cc(C)ccc21 28297061 MWEPLEOQGYZBIV-JKSUJKDBSA-N 304.434 2.288 0 40 DEAB Cc1cc(C)nc(SCC(=O)Nn2c(C)cc(C=O)c2C)n1 408567258 LDYFVSADENGMKK-UHFFFAOYSA-N 318.402 2.187 0 40 DEAB CN(C)C1(CNC(=O)COCC(F)(F)F)CCCCCC1 48353922 IFIVRKWUARJLQS-UHFFFAOYSA-N 310.360 2.336 0 40 DEAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCCNC1=O 45667770 JJWWMMZHNGBMIA-CHWSQXEVSA-N 321.446 2.436 0 40 DEAB Cc1nc(CCNC(=O)NC[C@@H](O)c2ccc(F)cc2)cs1 48342315 WHWLUHZSASXAFQ-CQSZACIVSA-N 323.393 2.166 0 40 DEAB C[C@H]1CCCN(CCCNS(=O)(=O)c2cccc(F)c2)C1 45744786 CUMJHPODYCAEGH-ZDUSSCGKSA-N 314.426 2.226 0 40 DEAB O=C(NCc1nnc2n1CCCCC2)c1cc(F)cc(F)c1 48326473 GRZHEDVBSURXJD-UHFFFAOYSA-N 306.316 2.213 0 40 DEAB O=C(NC1CC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 3432260 DZVISGSDBDYOBL-UHFFFAOYSA-N 306.321 2.379 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(COC)c2)C1 48466995 DWNGGZHUFAECRH-OAHLLOKOSA-N 320.389 2.184 0 40 DEAB Cc1cc(C(=O)COC(=O)c2ccc(CO)cc2)c(C)n1C 3523325 DVRWOCSVXSVNLG-UHFFFAOYSA-N 301.342 2.174 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1cccc(Cl)c1Cl 12938461 YFIBHOLCVXAFNT-UHFFFAOYSA-N 311.172 2.461 0 40 DEAB O=C(Cn1nnc2ccccc2c1=O)Nc1ccccc1Cl 3618002 UHWOZHAPANUFBD-UHFFFAOYSA-N 314.732 2.084 0 40 DEAB CC(=O)c1cccc(NC(=O)Cn2c(=O)cnc3ccccc32)c1 3611452 CCVAJJDOVRPTHR-UHFFFAOYSA-N 321.336 2.238 0 40 DEAB CC(C)(C)[C@H](O)CN1CCN(Cc2nc3ccccc3o2)CC1 69630510 GSJZOWZHGDFFGG-MRXNPFEDSA-N 317.433 2.352 0 40 DEAB CC(C)NC(=O)NC(=O)CSc1nnc(-c2ccccc2)o1 6054527 SXRSSNDZBBRSBI-UHFFFAOYSA-N 320.374 2.063 0 40 DEAB Cc1csc2nc(COC(=O)c3cccc(O)c3)cc(=O)n12 6120051 BISZZCGBEFBYMB-UHFFFAOYSA-N 316.338 2.127 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3c(=O)[nH]2)cn1 69981475 XPPSRHBLKBQOPE-INIZCTEOSA-N 322.368 2.239 0 40 DEAB COC(=O)c1ccc(N2CCN(C(=O)C3CCC3)[C@@H](C)C2)cc1 65595793 ZFGQUXAHQSJOPU-ZDUSSCGKSA-N 316.401 2.310 0 40 DEAB COc1cccc(CN(C)c2ncnc3c2cnn3C)c1OC 14214384 LRPRWQFIOJYMLY-UHFFFAOYSA-N 313.361 2.017 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COn2nnc3ccc(Cl)cc32)C1 14352109 REIPPTBTYMHEEO-GHMZBOCLSA-N 322.796 2.018 0 40 DEAB CCc1nn(C)cc1C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 92470067 AGNUGUFQWSPGAI-RHSMWYFYSA-N 313.401 2.490 0 40 DEAB C[C@H](NC(=O)c1c(O)c2c([nH]c1=O)CCCC2)c1ccccc1 8817750 NDTMLIICLTYYID-NSHDSACASA-N 312.369 2.450 0 40 DEAB biogenic CCCNC(=O)CN[C@@H]1CN(Cc2ccccc2)C(C)(C)C1 90167997 TWPUCKDBCWXNPO-INIZCTEOSA-N 303.450 2.155 0 40 DEAB O=C(/C=C/c1nnc2c3ccccc3cnn12)Nc1nccs1 9154108 MGJNELKCCVMPSR-AATRIKPKSA-N 322.353 2.386 0 40 DEAB NC(=O)c1ccc(COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1 16812259 YEOMTYBVQFRMFV-YIONKMFJSA-N 315.369 2.224 0 40 DEAB O=C(NCc1ccccc1F)N1CCCC[C@H]1C1OCCO1 69240050 QNKKFOSZXIFRMU-AWEZNQCLSA-N 308.353 2.263 0 40 DEAB C[C@H](O)CN1CCN(C(=O)c2occc2-c2ccccc2)CC1 70039965 NAMDXILISPOMGF-AWEZNQCLSA-N 314.385 2.085 0 40 DEAB CC(C)Nc1cccc(CNS(=O)(=O)CCOC(C)C)c1 79092290 DKFZCDRFFRCPRM-UHFFFAOYSA-N 314.451 2.351 0 40 DEAB NC(=O)c1csc(C(=O)N[C@@H]2CCc3ccc(F)cc32)c1 71883427 DUNBCICADDVDFK-GFCCVEGCSA-N 304.346 2.403 0 40 DEAB COC(=O)c1ccc(CN2CCC[C@@H](c3ccnn3C)C2)o1 71808716 QJXXYDYHPOVQPV-GFCCVEGCSA-N 303.362 2.179 0 40 DEAB CCNC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 71805128 ICYSOFLTHSGYPM-UHFFFAOYSA-N 308.357 2.141 0 40 DEAB O=C(NC[C@H]1CC1(Cl)Cl)c1cc(=O)[nH]c2ccccc12 9698131 BAHNYZWXDCWXKV-MRVPVSSYSA-N 311.168 2.452 0 40 DEAB CC[C@H]1CN(CCOc2cccc(C)c2)CCN1C[C@@H](C)O 72279688 SAMFDMCCOVCRPX-SJORKVTESA-N 306.450 2.151 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)CC[C@@H]2CCCO2)c(C)nn1C 72234369 BNKNQJXJVVILQD-KBPBESRZSA-N 321.421 2.360 0 40 DEAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2cnn(C)c2)o1 97148028 HIUVFZDJAIHDNO-AWEZNQCLSA-N 318.377 2.206 0 40 DEAB CC(C)OC1CCC(NC(=O)[C@@H](C)N2CCSCC2)CC1 95434584 ZIFYLLJFCOYLFI-WLYUNCDWSA-N 314.495 2.276 0 40 DEAB CCN1CCC[C@H]1CNC(=O)NCc1cccc(N(C)C)c1 73941851 AQGYZUUWGPZPFC-INIZCTEOSA-N 304.438 2.036 0 40 DEAB CC(C)(C)[C@@H](NCCN1C(=O)CNC1=O)c1cccc(F)c1 95985798 MWPSSUYKJLJAPQ-AWEZNQCLSA-N 307.369 2.054 0 40 DEAB COC(=O)c1cccc(CN[C@]2(CO)CCc3ccccc32)c1 89406922 KEGIUYMBVYYOBL-IBGZPJMESA-N 311.381 2.397 0 40 DEAB Cc1nnc2n1C[C@H](CNCCO[C@H]1CCCC[C@@H]1C)CC2 75131598 HSTFBVINJUWMGD-BPUTZDHNSA-N 306.454 2.334 0 40 DEAB Cc1nsc(N2CCC(NCCOc3ccccc3)CC2)n1 89721342 KRLZHMOMAILCJM-UHFFFAOYSA-N 318.446 2.484 0 40 DEAB CC(C)[C@H](NC(=O)N(C)[C@H](C)C1CC1)c1nnc2n1CCC2 89801886 MYQOHWABJNFUSH-RISCZKNCSA-N 305.426 2.361 0 40 DEAB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c(C)c1 409378094 NGYJWWBGCROARF-UMPJEAMMSA-N 301.342 2.286 0 40 DEAB O=C(O)C(=O)c1cc(Br)ccc1Br 36893452 OBFFOBPAPPGDGC-UHFFFAOYSA-N 307.925 2.479 0 40 DEAB Cc1cc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)no1 77613586 GDWZRGAQOXPHBV-LBPRGKRZSA-N 314.263 2.465 0 40 DEAB CC[C@@H](C(=O)Nc1cccc(-n2cccn2)c1)N1CCCC1=O 72954587 JNYIRECDXXRSCP-HNNXBMFYSA-N 312.373 2.212 0 40 DEAB CC(C)Cn1ncnc1CN[C@@H]1CCCC[C@H]1n1cccn1 128751371 NBTDJBINRWDKPA-HUUCEWRRSA-N 302.426 2.404 0 40 DEAB CC(C)N(C(=O)CN)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79391128 XCNCNHFCRIYMRE-QWHCGFSZSA-N 313.442 2.018 0 40 DEAB CNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCCC1 217705485 WJHKGNDKVKRPJZ-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB COCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 44385425 DALWYENHMOZCRA-UHFFFAOYSA-N 302.783 2.059 0 40 DEAB CCS(=O)(=O)N(C)c1ccc(C(=O)N[C@@H](C)C(C)C)cc1 225201800 DFMFKKIIGVGKQU-LBPRGKRZSA-N 312.435 2.247 0 40 DEAB CCCc1noc(C2CCN(C(=O)c3cc(C)on3)CC2)n1 40714691 NKHCJWUQUKXJJH-UHFFFAOYSA-N 304.350 2.338 0 40 DEAB COCCCN(C)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 190776320 ADDXYHJFZAAPFH-QGZVFWFLSA-N 306.406 2.322 0 40 DEAB CS[C@@H](C)C(=O)NCC1(CN2CCOCC2)CCCCC1 81665956 HOXXILGLQYFZFW-AWEZNQCLSA-N 314.495 2.137 0 40 DEAB CC[C@H](C)[C@@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1 81672864 FZDLMVWYPUAGCS-NWDGAFQWSA-N 305.426 2.333 0 40 DEAB COc1cc2c(=O)ncn(C[C@H](O)CC3CCCC3)c2cc1F 191379742 SOGJLJFRBRTOFN-GFCCVEGCSA-N 320.364 2.485 0 40 DEAB CSC[C@](C)(O)CNC(=O)COc1ccc2ccccc2c1 75157265 MGLXTQFAMOSFRL-QGZVFWFLSA-N 319.426 2.449 0 40 DEAB C[C@H](CCc1ccc(F)c(F)c1)N[C@H]1CCCS(=O)(=O)C1 195549885 PTYOBJMEODWSRL-YPMHNXCESA-N 317.401 2.453 0 40 DEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCCNC(=O)CC1CCCC1 195550595 ZGPLZSQPINDOCW-UAGQMJEPSA-N 308.466 2.476 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccon1 96456153 XAZCIVSFDMHFPM-NWDGAFQWSA-N 304.437 2.158 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)N[C@H]1CC[S@](=O)C1 96454975 KSSGIKNGXCQIRE-PRWKNARSSA-N 315.822 2.380 0 40 DEAB O=C(Cn1cncn1)N1CCSC[C@@H]1c1ccc(Cl)cc1 96407417 KXJCLARGXBROGM-CYBMUJFWSA-N 322.821 2.248 0 40 DEAB CCn1c(SCc2noc(COC)n2)nc2cnccc21 97236184 JEEBRWXIPNPVRQ-UHFFFAOYSA-N 305.363 2.273 0 40 DEAB CCCC(=O)N1CCCC[C@]12CC(=O)N(c1cccnc1)C2 96071729 KSVUPDIHKIFEDL-QGZVFWFLSA-N 301.390 2.370 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCOC1)[C@@H](O)c1c(F)cccc1Cl 96449989 XEAZVXRYIHAEPP-IGJMFERPSA-N 301.745 2.054 0 40 DEAB Cc1ccc(CC(=O)N2CCC(Cc3ncc[nH]3)CC2)cc1O 332459462 INJDCYIADIGCKM-UHFFFAOYSA-N 313.401 2.448 0 40 DEAB c1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)nc1 96041684 HXUFKNFYHNXYON-RCCFBDPRSA-N 311.385 2.287 0 40 DEAB CCOC(=O)[C@](C)(NC(=O)Cc1cn2ccsc2n1)C(C)C 96412227 VSTQXNNAMSYYMM-OAHLLOKOSA-N 323.418 2.032 0 40 DEAB C[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)[C@@H]1c1cccc(F)c1 96446639 NIPKZUCVZHTLTB-NHYWBVRUSA-N 323.393 2.331 0 40 DEAB CN(C)c1ccc(C(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)c(F)c1 245339118 QOFIFOLKLUJHOU-WYURAEBNSA-N 306.381 2.029 0 40 DEAB CCC1(CC)[C@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)[C@@H](C)[C@H]1OC 245339031 QBPBYVSWRWGYIR-XLWJZTARSA-N 310.438 2.062 0 40 DEAB CC(=O)N1CCN(C(=O)c2cncs2)[C@H](c2ccccc2)C1 257259290 KXROBIKJTDTKHE-AWEZNQCLSA-N 315.398 2.189 0 40 DEAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1cccs1 96098615 IBIUUSDIPXVTSU-UHFFFAOYSA-N 312.420 2.022 0 40 DEAB Cc1cc(C)c(S(=O)(=O)N2Cc3cncnc3C2)c(C)c1 96366446 XISVQJAIDIRBFK-UHFFFAOYSA-N 303.387 2.106 0 40 DEAB O=C(NCc1nccnc1-c1ccco1)c1ccc2c(c1)OCO2 390831609 SWAJIDVSXHTTCP-UHFFFAOYSA-N 323.308 2.395 0 40 DEAB COCCOc1ccc(NC(=O)NN2[C@@H](C)CCC[C@@H]2C)cn1 61578916 PLDJWIWRYPELBC-STQMWFEESA-N 322.409 2.406 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](n3cccn3)C2)cc1 69417965 VAKMMYAKEQGNNH-QGZVFWFLSA-N 312.417 2.422 0 40 DEAB CC(C)(C)n1cc(CNCCC(=O)NCc2ccccc2)cn1 69922185 NEYZRESTESYEFC-UHFFFAOYSA-N 314.433 2.434 0 40 DEAB COC[C@@]1(C)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 66084024 LQNAAAFVNBVBBI-CYBMUJFWSA-N 316.279 2.162 0 40 DEAB CCC(CC)NC(=O)CSc1nnc(-c2ccco2)n1C 5862952 ORGWYZPZMCJPKR-UHFFFAOYSA-N 308.407 2.472 0 40 DEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)C(C)(C)C)cc2n1 12337012 WLMXDELPLPXPRL-GFCCVEGCSA-N 302.378 2.453 0 40 DEAB Cn1nccc1C(=O)C1CCN(C(=O)c2ccccc2F)CC1 12337198 RDEYIKQNQNYJFX-UHFFFAOYSA-N 315.348 2.294 0 40 DEAB CN1CCN(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 17054558 GLCOINASNYPDNV-UHFFFAOYSA-N 318.368 2.154 0 40 DEAB C[C@@H](O)CNc1ncnc2c1cnn2-c1cccc(Cl)c1 17113789 RVRNWQJEPDJHNW-SECBINFHSA-N 303.753 2.262 0 40 DEAB CC(=O)CSc1nnc2n1N=CN(c1cccc(Cl)c1)C2 19897469 WHXDMJPQKYUNPP-UHFFFAOYSA-N 321.793 2.424 0 40 DEAB CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1 19946039 GROIQBHUAGEPAT-UHFFFAOYSA-N 304.371 2.091 0 40 DEAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Br)cc1F 169219476 HHUPEHYQXWSBGW-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB COc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 169619922 IATZVIOTMMYCPL-POKDXMDSSA-N 324.380 2.118 0 40 DEAB Cc1cc(N2CCN(Cc3cc(F)cc(F)c3)CC2)ncn1 1204232045 CVBJALKVMOPMCP-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB C[C@H](CN[C@@H](C(N)=O)c1ccccc1)N1CCc2ccccc21 27014469 YDOZOOHBSMWARS-RDTXWAMCSA-N 309.413 2.254 0 40 DEAB O=C1CN(c2ncnc3ccccc23)CCN1Cc1ccccc1 1167104443 XDLSHOMAFJKCQP-UHFFFAOYSA-N 318.380 2.479 0 40 DEAB CSc1nc(C)cc(N2CCC(C(=O)NC3CC3)CC2)n1 2086881970 NFVVOLWZPCHFIS-UHFFFAOYSA-N 306.435 2.002 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(C)cc2)C1 40160902 PABDENXNAAZIFO-CQSZACIVSA-N 305.374 2.176 0 40 DEAB CC(C)=C[C@H]1[C@H](C(=O)OCCN2C(=O)NC(C)(C)C2=O)C1(C)C 30747297 GHKFOQGCCMWNSG-NWDGAFQWSA-N 322.405 2.098 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@H](C)O[C@H](C)C1 40466435 QJDASONPKHCXIF-CHWSQXEVSA-N 307.438 2.334 0 40 DEAB CCc1nnsc1C(=O)NCc1cccnc1OC(C)C 40541048 QMHHAPSBRLQYOS-UHFFFAOYSA-N 306.391 2.213 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 40539283 SUOQDTTZZXKBNG-CYBMUJFWSA-N 308.353 2.485 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)c1ccccc1Cl 51260033 OHNPRTQVSLRWFB-GFCCVEGCSA-N 308.765 2.238 0 40 DEAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O 51373883 VHRSLAWLXCSEDX-DOMZBBRYSA-N 312.316 2.109 0 40 DEAB NC(=O)CSc1nnc(-c2ccccc2Br)o1 422438 IVLNYKMWSSCFIU-UHFFFAOYSA-N 314.164 2.077 0 40 DEAB CCOC(=O)C(Cl)(Cl)[C@@](Cl)(OCC)C(=O)OCC 1600088 WHFHADFMHKDXLE-JTQLQIEISA-N 321.584 2.258 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 2652816 NWEGNXROZZCFRN-UHFFFAOYSA-N 315.295 2.401 0 40 DEAB COc1ccc([C@@H](CNC(=O)c2ccccc2O)N(C)C)cc1 2657939 QTTNRPRHBVSVQJ-MRXNPFEDSA-N 314.385 2.434 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc(F)cc1 32744973 BTZLFXHNGQCNAJ-OAHLLOKOSA-N 303.337 2.047 0 40 DEAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NCc1ccncc1 6698227 KEUYELIHZTYLBG-CLWVCHIJSA-N 314.385 2.391 0 40 DEAB COC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccccc1OC 32905788 WOHXTSDUDSFGDV-PLSXKVAHSA-N 303.358 2.263 0 40 DEAB CCOC(=O)N[C@H](C(=O)NCCc1ccccc1C)C(C)C 32914171 ZLSDHUYXPLEWTJ-HNNXBMFYSA-N 306.406 2.424 0 40 DEAB O=C(NCCO)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 96008726 JJKRZPWZHJJVSM-UHFFFAOYSA-N 314.267 2.005 0 40 DEAB CCC[C@@H](C)NC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 21931552 BAIRJWOGHAHWJA-CHWSQXEVSA-N 317.389 2.149 0 40 DEAB Cc1noc(C)c1CCC(=O)N[C@@H](C)c1nnc2ccccn12 52758200 STSPXQPVZVINLV-NSHDSACASA-N 313.361 2.144 0 40 DEAB Cc1cccnc1NC(=O)NCCOc1ccc2c(c1)OCO2 47131008 BLFUOLHEEJQIGF-UHFFFAOYSA-N 315.329 2.319 0 40 DEAB CCn1cc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)cn1 24577282 UPMDKUPVAYCQSQ-UHFFFAOYSA-N 323.374 2.019 0 40 DEAB Cc1cnc(NC(=O)c2cnc3sc(C)c(C)n3c2=O)s1 61719435 LYTGZHUGGXGSCL-UHFFFAOYSA-N 320.399 2.390 0 40 DEAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 24812277 XROPXCGXUXGSFX-NWANDNLSSA-N 312.369 2.273 0 40 DEAB Cc1cc2ncn(CN3CCN(c4cnccn4)CC3)c2cc1C 12517622 FXIPMBKFJVBJLD-UHFFFAOYSA-N 322.416 2.223 0 40 DEAB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(F)c2)cc1 1505564 ZHWIQPCFUILADB-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB CNC(=O)C1CCN(Cc2cc(Cl)c3c(c2)OCCO3)CC1 25755054 WNXXUWDHEZEPGR-UHFFFAOYSA-N 324.808 2.069 0 40 DEAB Nc1cc(-c2ccc(Cl)cc2)nn1[C@H]1CCS(=O)(=O)C1 26423736 ZMUFSATWWRPCCV-NSHDSACASA-N 311.794 2.145 0 40 DEAB C[C@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N(C)C 26857010 UWVDMFNSYQBXJC-MRVPVSSYSA-N 311.234 2.222 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccccc2F)no1 58132405 WFTNQHPMAFQCIR-LADRHHBVSA-N 310.350 2.398 0 40 DEAB Cc1cc(NC(=O)NCCNC(=O)CC2CCCCC2)no1 58227627 MLJCRJAOBQHXKL-UHFFFAOYSA-N 308.382 2.191 0 40 DEAB CCCN1CCC(NC(=O)CSCc2ccncc2)CC1 58227071 GTBWBUMKSDDFLY-UHFFFAOYSA-N 307.463 2.305 0 40 DEAB Cc1csc(CNC(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1 44952919 AMAUMBSECWCTMP-AAEUAGOBSA-N 310.467 2.371 0 40 DEAB CC(=O)c1cccc(OCCCC(=O)N[C@@H]2CCCN(C)C2)c1 58363510 UAYQUOQEHUPMIH-MRXNPFEDSA-N 318.417 2.259 0 40 DEAB C[C@H](Cc1ccsc1)NC(=O)NCC(=O)NC1CCCCC1 58342601 PTOLSXBLKGLECY-GFCCVEGCSA-N 323.462 2.427 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1cccnc1OC(C)C 58393332 ROYGURXVFQKYPD-UHFFFAOYSA-N 317.437 2.267 0 40 DEAB CCOC(=O)CN1C(=O)[C@H](C(C)C)N(Cc2ccccc2)C1=O 68606523 YRXJDDBNZSCNIS-HNNXBMFYSA-N 318.373 2.039 0 40 DEAB Cc1cc(C)n(-c2ccc(S[C@@H]3CCCCNC3=O)nn2)n1 11248627 QWXZILRKYRIKPM-GFCCVEGCSA-N 317.418 2.040 0 40 DEAB CCOc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1 3447750 VFXUMXFXIIIBLO-UHFFFAOYSA-N 324.340 2.418 0 40 DEAB Cc1ccsc1C(=O)N1CSC[C@H]1C(=O)N(C)C(C)C 69570831 RYHXZWVRNBWCDE-NSHDSACASA-N 312.460 2.438 0 40 DEAB COc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1OC 69675759 JWIAPMUGHVJBJK-UHFFFAOYSA-N 312.322 2.039 0 40 DEAB CCn1c(SCC(=O)N(C)C)nnc1-c1cccc(C)c1 49536334 SFCYIFRSYFNTMQ-UHFFFAOYSA-N 304.419 2.454 0 40 DEAB CC(C)c1noc([C@@H]2CCCCN2C(=O)c2cnccn2)n1 65286461 ZDRZFKMYWYTABZ-LBPRGKRZSA-N 301.350 2.350 0 40 DEAB Cc1cc(NC(=O)CN(C)C(=O)CCc2ccccc2)no1 14117012 KYOWLTMGFZNFAE-UHFFFAOYSA-N 301.346 2.013 0 40 DEAB Cc1nc2nc(CCNC(=O)/C=C/c3ccccc3)cn2nc1C 6665587 BQWWXXRZMRJAIL-CMDGGOBGSA-N 321.384 2.113 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H]2c2noc(C)n2)cs1 76043869 MGUITEGLJASJOV-LLVKDONJSA-N 306.391 2.303 0 40 DEAB CCn1cc(C(=O)NCCCOC)c(=O)c2cc(C)ccc21 408712896 ADCNHCVWVIZJPC-UHFFFAOYSA-N 302.374 2.096 0 40 DEAB CN(C)[C@H](CNc1nnnn1-c1ccccc1)Cc1ccccc1 8342199 YHWGRZYSBOGIOJ-KRWDZBQOSA-N 322.416 2.247 0 40 DEAB CCCN1C(=O)C2(CCCCC2)N[C@H]1c1cccc(C(N)=O)c1 96429896 ZCVIXGGIMKPLSF-MRXNPFEDSA-N 315.417 2.329 0 40 DEAB O=C(CCCn1ccnc1)NCC(=O)Nc1ccc(Cl)cc1 71849950 ULXOYRFYOHWTSI-UHFFFAOYSA-N 320.780 2.072 0 40 DEAB CCN1CCC(Nc2cncc(-n3nc(C)cc3C)n2)CC1 71924475 MACBWWCOLASCCZ-UHFFFAOYSA-N 300.410 2.175 0 40 DEAB COc1ccc(C(=O)Nc2cc(C)c(Br)cn2)nn1 84114890 UFLNWMUHHFJHLG-UHFFFAOYSA-N 323.150 2.203 0 40 DEAB Cc1cc([C@@H]2CCCN(CC(=O)N(C)c3nccs3)C2)n[nH]1 84110889 DISCKTHZITZXEC-GFCCVEGCSA-N 319.434 2.017 0 40 DEAB Cc1cc([C@H](C)NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c(C)o1 97058170 JMROTWWJAKZEGD-WCQYABFASA-N 319.405 2.268 0 40 DEAB CCOc1ccccc1NC(=O)C1(n2cnnn2)CCCCC1 72402340 RVOGQTBRNRMYOW-UHFFFAOYSA-N 315.377 2.370 0 40 DEAB CN(C(=O)CCNC(=O)[C@@H]1COc2ccccc21)c1ccccc1 95396618 ZXYOSIRPGSUSDT-MRXNPFEDSA-N 324.380 2.332 0 40 DEAB COc1cc(CCNC(=O)N[C@H]2CCCC[C@@H]2CO)ccc1F 95460436 FSTGQUKXPLMJHZ-HIFRSBDPSA-N 324.396 2.227 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(F)cc1 95458951 KOJINEUSVNZKRS-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB CC[C@H](NC(=O)c1c(C)nn2c(C)cc(C)nc12)[C@@H]1CCCO1 95975197 QGDFUNQQDZHCOR-KBPBESRZSA-N 316.405 2.342 0 40 DEAB NC(=O)NCCCCC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 95947645 VZAGZVZYASQMBC-NXEZZACHSA-N 309.332 2.062 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)Nc2ccc(=O)n(C)c2)on1 95955721 PMOOMMGOWRNRDV-LBPRGKRZSA-N 302.334 2.051 0 40 DEAB O[C@@H]1CCCC[C@@H]1N1CCN(CCc2ccc(F)cc2)CC1 95976581 YAZLCRWULHUPKI-ZWKOTPCHSA-N 306.425 2.289 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H]1CO)c1cccc(-n2ccnc2)c1 74876229 VTSNHPVTOFITNH-CZUORRHYSA-N 314.389 2.100 0 40 DEAB O=C1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CN1 110576155 FBZBOQLQAWMECM-IKGGRYGDSA-N 314.429 2.430 0 40 DEAB Cc1noc(C)c1[C@@H]1CCCN1C(=O)c1cnn2ccn(C)c12 65397664 POMGMSRLOVJBAM-ZDUSSCGKSA-N 313.361 2.255 0 40 DEAB FC(F)(F)c1cccnc1N1CCN(c2ccncn2)CC1 230444706 KDOIBEIPZSKBFL-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241324 MDCOSDOFUNDICP-GJZGRUSLSA-N 324.808 2.155 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1N(CC(=O)O)C1CC1 79392433 BYDMOHSMHATXHQ-CHWSQXEVSA-N 312.410 2.371 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(CCN)C1 79411679 DRJBOWQIQIWADI-QGZVFWFLSA-N 319.449 2.457 0 40 DEAB C[C@H](NC(=O)Nc1ccnn1C[C@H]1CCOC1)c1ccccn1 187769259 ZESREHZTAVCTTO-QWHCGFSZSA-N 315.377 2.197 0 40 DEAB Cc1nnc(NC(=O)COc2ccn(-c3ccccc3)n2)s1 226853198 DVDWQAONNUUMAL-UHFFFAOYSA-N 315.358 2.050 0 40 DEAB C[C@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)CO1 45784790 IBVZXKSENKSYBK-NEPJUHHUSA-N 317.838 2.223 0 40 DEAB O=C(O)c1ccc(Cl)c(CN2CCOC[C@]23CCOC3)c1 569492353 LODHGVXNUOGJRD-OAHLLOKOSA-N 311.765 2.030 0 40 DEAB C[C@H](N)[C@@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 195542929 PMEOVQKNCZBINR-QWHCGFSZSA-N 316.380 2.211 0 40 DEAB Cc1cc(NC(=O)c2ccc(OCC(F)(F)F)nc2)nn1C 133291521 BTIVXGIMKYSWAV-UHFFFAOYSA-N 314.267 2.317 0 40 DEAB COc1ccccc1[C@@H]1CC[C@H](C)CN1Cc1nc(=O)n(C)[nH]1 329041127 DMGUKDUJHWYQBG-JSGCOSHPSA-N 316.405 2.090 0 40 DEAB CC(C)Nc1ncccc1C(=O)N[C@H]1CCCc2c1cnn2C 96427134 XOCQGNPLYZXSDT-AWEZNQCLSA-N 313.405 2.443 0 40 DEAB Cn1ncc2c1CN(Cc1ccncc1)C[C@H]2COCC1CC1 96068274 UIHDMRAHQPXDQH-INIZCTEOSA-N 312.417 2.341 0 40 DEAB COc1c(C(=O)N2CCCCCC2)nnn1Cc1ccccc1 96183495 LDYPHCDLELCVOZ-UHFFFAOYSA-N 314.389 2.351 0 40 DEAB O=C(CC1CCCC1)N1CCn2cc(Cn3cccn3)nc2C1 96197358 MSABJYYYPXKJFJ-UHFFFAOYSA-N 313.405 2.050 0 40 DEAB Cc1ccoc1C(=O)N1CCn2cc(CN3CCCC3)nc2C1 96197232 HAYHDTPEGDCBFG-UHFFFAOYSA-N 314.389 2.036 0 40 DEAB O=C(c1ccncc1)N1CCc2onc(COCC3CC3)c2C1 96260018 UECNZTJWQUNTMY-UHFFFAOYSA-N 313.357 2.195 0 40 DEAB CCCn1nnnc1CNc1ccc(-c2nccc(C)n2)cc1 96453606 LNAGINCLCOZIQK-UHFFFAOYSA-N 309.377 2.461 0 40 DEAB CC(C)N(C)C[C@@H]1CO[C@@]2(COCCN(Cc3ccco3)C2)C1 96051976 OPFLPMXLWRRBAW-AEFFLSMTSA-N 322.449 2.227 0 40 DEAB COc1cccc(C[C@@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c1 96440183 KVTIRXITOSSUJI-OLZOCXBDSA-N 316.405 2.420 0 40 DEAB COC[C@H](O)CN(C)C(=O)c1sc2cccc(F)c2c1C 42501773 YQZRDHOARRUXMI-SNVBAGLBSA-N 311.378 2.428 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCC(c2cnccn2)CC1 257262844 LNDFVHSDQCPAHZ-UHFFFAOYSA-N 309.373 2.164 0 40 DEAB CN(C(=O)C1CCC1)[C@@H]1CCC[C@@H](Oc2cccnc2)[C@@H]1O 257217682 DACLDECYZWOIMA-BZUAXINKSA-N 304.390 2.001 0 40 DEAB Cn1cnc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)O)ccc21 263454300 UETDTTSPAQUOTH-CYBMUJFWSA-N 315.373 2.433 0 40 DEAB Cc1cc(NS(=O)(=O)N(C)CC2CC2)c(C(=O)O)cc1C 358491265 DAWBXLUPAFTEQK-UHFFFAOYSA-N 312.391 2.000 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575404411 BRYYRWOQNXLGTK-INIZCTEOSA-N 316.401 2.158 0 40 DEAB O=C(C1CCC1)N1CC2(CC[C@@H](CN3CCCCC3)CO2)C1 575406364 NQDFIEKGZRDVKC-HNNXBMFYSA-N 306.450 2.280 0 40 DEAB O=C(CCc1ccno1)N1CC[C@H](O)[C@H](Cc2ccccc2)C1 585275303 AADCSFZBKVGKNY-WBVHZDCISA-N 314.385 2.059 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@H](c1cccs1)N(C)C 58405017 XKHDMHKAUHDSOB-CQSZACIVSA-N 321.494 2.249 0 40 DEAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccccc1F 57463436 VJFFKCBQBRNGJY-UHFFFAOYSA-N 320.393 2.043 0 40 DEAB CCOCCCNC(=O)Nc1ccc(Cn2cccn2)cc1 69187795 YAYKBRKUQGCEIZ-UHFFFAOYSA-N 302.378 2.480 0 40 DEAB COc1ncc(Cl)c(N(C)Cc2csnc2OC)n1 1548524814 ZSZVIDOKFWGKER-UHFFFAOYSA-N 300.771 2.240 0 40 DEAB CCC(=O)N[C@H]1CCCN(Cc2ncc(C)c(OC)c2C)C1 67227429 UFDLQNUBNFWJAS-AWEZNQCLSA-N 305.422 2.198 0 40 DEAB CC(C)(CNC(=O)NCCO)c1cccc(Br)c1 69455757 GDTMEXLEKMLAMD-UHFFFAOYSA-N 315.211 2.018 0 40 DEAB CC(C)CCNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580461 HARFIQCUCPXXII-UHFFFAOYSA-N 324.446 2.175 0 40 DEAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@@H]1CN1CCOCC1 19690878 PUEFZZSHNBASLG-CQSZACIVSA-N 307.781 2.011 0 40 DEAB Cc1nc(NC(=O)c2ccc[nH]c2=O)sc1-c1ccccn1 23502408 UEFKXUHRSQCICX-UHFFFAOYSA-N 312.354 2.454 0 40 DEAB COC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 35154158 WQJHQVYJUGPTKK-UHFFFAOYSA-N 316.151 2.067 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(c3ncnc(C)c3C)C2)nc1 1776000657 DDWNJUUXEFTVDM-OAHLLOKOSA-N 313.405 2.487 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)c1)c1cc(C2CC2)[nH]n1 40497481 LXCBNHDKKWVPTG-UHFFFAOYSA-N 311.389 2.212 0 40 DEAB C[C@@]1(c2cccs2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O 40477485 NHDCNZUANFYQGH-WBMJQRKESA-N 316.382 2.249 0 40 DEAB CN1CCN(Cc2c(-c3ccccc3)nn(C)c2Cl)CC1 20404970 UWOLBTIBUPSBLN-UHFFFAOYSA-N 304.825 2.488 0 40 DEAB NC(=O)COc1ccc(CNCc2ccccc2Cl)cc1 20557629 PESAOVRMSAIUPC-UHFFFAOYSA-N 304.777 2.494 0 40 DEAB NC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(F)cc1 412460 GGWMVFSMWUPAQV-UHFFFAOYSA-N 318.333 2.244 0 40 DEAB CC(C)(C)[C@H](O)CN1CCN(C(=O)c2ccc(Cl)o2)CC1 69774330 ONVJNHRRJPCTHG-GFCCVEGCSA-N 314.813 2.098 0 40 DEAB COC(=O)c1cccc(OS(=O)(=O)c2cccc(F)c2)c1 21473442 SSZLJSCOFVIOEX-UHFFFAOYSA-N 310.302 2.380 0 40 DEAB C[C@H](Sc1nnc(N)s1)C(=O)N[C@H]1CCCC[C@@H]1C 102547496 SDMBTWJVIIQXQQ-CIUDSAMLSA-N 300.453 2.296 0 40 DEAB Cc1nnc(SCCC(=O)O)n1-c1ccc(N(C)C)cc1 4922037 SUOJNCHTMQUYOK-UHFFFAOYSA-N 306.391 2.209 0 40 DEAB CC(=O)c1c[nH]c(C(=O)OCC(=O)NC2CCC(C)CC2)c1 8258878 PIILETPXCZZGON-UHFFFAOYSA-N 306.362 2.069 0 40 DEAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)COc1ccccc1 8300736 ITEAQHSQVODTEW-HRCADAONSA-N 302.418 2.302 0 40 DEAB biogenic,in-vitro Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCCCC(N)=O 41334006 FMPKPFALUFLRIS-LBPRGKRZSA-N 307.394 2.166 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 53890678 VOMORKVBACUUDH-VXGBXAGGSA-N 320.355 2.469 0 40 DEAB O=C(OCCOc1ccccc1)c1n[nH]c(=O)c2ccccc12 23077182 YPALXKAGFFSNEC-UHFFFAOYSA-N 310.309 2.159 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NC[C@H](c1ccco1)N(C)C 43137842 VZZOXXWBZQKYCG-CQSZACIVSA-N 320.393 2.329 0 40 DEAB COCc1[nH]c2nc(C(F)(F)F)nn2c(=N)c1-c1ccccc1 105885943 FLRAEBKVUFYTSO-UHFFFAOYSA-N 323.278 2.369 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)[C@@H]3C[C@@H]3C)cc2n1 100146767 CANYXXUZNCUGQX-SUHUHFCYSA-N 314.389 2.453 0 40 DEAB C[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2)c1ccncc1 102361978 CWSYASBLODJANY-PSWFKFNGSA-N 300.358 2.172 0 40 DEAB Cc1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1 3073520 LMHYFSWZCXTOCU-UHFFFAOYSA-N 309.362 2.491 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(-n3cncn3)nc2)c1C 24884194 CJIWGLHTZRYGGC-UHFFFAOYSA-N 324.344 2.062 0 40 DEAB CC(C)Cn1cc(C(=O)NC(C)(C)C(N)=O)c2ccccc21 57051327 DNINUUQYVVDFEA-UHFFFAOYSA-N 301.390 2.291 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)NCCc1ccccc1 100505748 FXAYKETVPJKOOZ-KPLDXPABSA-N 311.381 2.114 0 40 DEAB COc1ccc(-n2c(=O)c(CCC(=O)O)nc3ccccc32)cc1 3258150 OAGGIPIRYWLTEI-UHFFFAOYSA-N 324.336 2.412 0 40 DEAB CC(C)c1nc(S(C)(=O)=O)nc(-c2ccc(F)cc2)c1CO 22059544 IXKRYFDCDOFCFM-UHFFFAOYSA-N 324.377 2.302 0 40 DEAB in-vitro Cc1noc(CS(=O)(=O)c2ccc(Br)cc2)n1 44947264 LNEWZXQVXAYDDA-UHFFFAOYSA-N 317.164 2.114 0 40 DEAB CC(=O)N1CCN(Cc2nn(-c3ccccc3)c3c2CCC3)CC1 58311579 YVFUKZUJSNMSKR-UHFFFAOYSA-N 324.428 2.025 0 40 DEAB COc1ccc(COC[C@@H](O)CNC(=O)[C@H]2CC=CCC2)cc1 58401528 ILYOIIYASSCEMU-HOTGVXAUSA-N 319.401 2.045 0 40 DEAB Cc1nc(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nc(C)c1C 3377352 AIRKQLRZTNDGAO-NXEZZACHSA-N 309.435 2.130 0 40 DEAB CC(C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 36694930 IPYYHXSRRYBPIU-HNNXBMFYSA-N 312.369 2.371 0 40 DEAB O=C(NCCCCN1CCOCC1)c1cc2ccccc2[nH]1 48286108 QMAYEMXFGFBXLU-UHFFFAOYSA-N 301.390 2.010 0 40 DEAB CCN(CC)CCC[C@H](C)NC(=O)c1cccc(C(=O)OC)n1 69415757 OIFIZQYERJEGLZ-ZDUSSCGKSA-N 321.421 2.109 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)NC1CCCCC1 69841388 SXFWMSJZLSYROC-UHFFFAOYSA-N 304.438 2.488 0 40 DEAB CC(C)c1nn(C)cc1CNCc1nncn1-c1ccccc1 48711628 OLLMGIZZDAFEKK-UHFFFAOYSA-N 310.405 2.414 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)c2ccccc2Br)C1 62912613 GCPAOWAUHHMEHR-ZDUSSCGKSA-N 312.163 2.386 0 40 DEAB NC(=O)C1CCN(C(=O)NCCCc2ccc(Cl)cc2)CC1 69536762 KJKYOPKQOHGNEM-UHFFFAOYSA-N 323.824 2.180 0 40 DEAB CCONC(=O)c1cccc(S(=O)(=O)Cc2ccccc2)c1 69520412 RTQKUFVKZKEFTE-UHFFFAOYSA-N 319.382 2.342 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 69510940 YVHSYGPQHUVDTN-CABCVRRESA-N 316.401 2.157 0 40 DEAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1cccc(C)c1C 17306829 UHUFTXFJCRLTRW-UHFFFAOYSA-N 323.374 2.004 0 40 DEAB CCNc1cc2c(nn1)CCN(C(=O)c1cc(Cl)cn1C)C2 69971009 GCFJZQNZLOEFED-UHFFFAOYSA-N 319.796 2.099 0 40 DEAB Cc1nc(C2CC2)nc(N[C@@H]2CCc3nnc(C)n3C2)c1F 65496925 JPLLSOYKBUOBDL-LLVKDONJSA-N 302.357 2.128 0 40 DEAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)NCc1ccco1 5360601 USPTWPFRSWEIRJ-JTQLQIEISA-N 313.313 2.018 0 40 DEAB COc1cccc(-n2c(=O)c3ccccc3n3c(S)nnc23)c1 6476498 LZDMBNLJJCAZQT-UHFFFAOYSA-N 324.365 2.331 0 40 DEAB O=C(O)CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 4741039 BYURCCSQXGNLHH-UHFFFAOYSA-N 319.382 2.182 0 40 DEAB OCCSc1nnc(N2CCCCC2)n1-c1ccccc1 7071827 HAPVEVVADPXKGV-UHFFFAOYSA-N 304.419 2.342 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Cc1cccc(F)c1 67622359 YRHOOIZIALTVSP-OAHLLOKOSA-N 306.381 2.228 0 40 DEAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)NCCn1ccnn1 96007840 PMEZBRLWXCBJGI-CQSZACIVSA-N 323.400 2.362 0 40 DEAB CSCCCC(=O)Nc1cc(C)nn1-c1ccc(C)nn1 84191778 VQAAVVJBUMSULC-UHFFFAOYSA-N 305.407 2.361 0 40 DEAB Cc1ccc(OCc2nc(CC(=O)NC[C@@H](C)O)cs2)cc1 84157250 ATCYTTXRYWLKND-GFCCVEGCSA-N 320.414 2.070 0 40 DEAB COc1ccc([C@H](NC(=O)Cn2ccnc2)C(F)(F)F)cc1 97080021 ZCUHFUGRYMTSHN-ZDUSSCGKSA-N 313.279 2.312 0 40 DEAB Cc1cc(NS(=O)(=O)c2ccccc2)n(-c2ccccn2)n1 9421840 JUCGSROIYFJMRU-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)no1 72299220 JSOXRFMVMOBSGA-GFCCVEGCSA-N 301.350 2.210 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cc(C)on2)n1 71865456 DVRSKPZQOVDGNB-CQSZACIVSA-N 302.378 2.491 0 40 DEAB CCc1noc(COC(=O)c2c(C)nc(C)nc2SC)n1 83830518 TXWRWZSYHOZRON-UHFFFAOYSA-N 308.363 2.118 0 40 DEAB Cc1cc(Cl)cc2nc(SCCNS(C)(=O)=O)oc12 71910030 HQLZJKWNYCJDMG-UHFFFAOYSA-N 320.823 2.431 0 40 DEAB COc1ccccc1[C@H]1CCN(S(=O)(=O)c2cccnc2)C1 71915811 OHRPTGJLMAAQDF-ZDUSSCGKSA-N 318.398 2.268 0 40 DEAB c1nc(N2CCCC[C@@H]2Cn2cncn2)c2ccsc2n1 72276495 DVAIQFXRUMBHAK-LLVKDONJSA-N 300.391 2.342 0 40 DEAB Cc1noc([C@H]2COCCN2C(=O)c2cccc3ncccc23)n1 97163976 HLUWKQPZHZFUFY-OAHLLOKOSA-N 324.340 2.140 0 40 DEAB C[S@@](=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 72302866 RHJRWZDDOMAZRA-QFIPXVFZSA-N 320.389 2.360 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1 72300367 FPBLAGZJDHSHDB-ZDUSSCGKSA-N 317.393 2.316 0 40 DEAB Cn1ncc(C(=O)N[C@H]2CCCC[C@@H]2Oc2ccccc2)c1N 97375983 PFJKSSVWSSCPHM-GJZGRUSLSA-N 314.389 2.122 0 40 DEAB Cc1nc(NC(=O)CN[C@H](C)[C@H](C)n2cccn2)sc1C 75606744 GOLMKYLBCXNYGN-KOLCDFICSA-N 307.423 2.134 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)N1CCN([C@H]2CCN(C)C2=O)CC1 75863191 GOZXOHDACFDNIS-BBRMVZONSA-N 321.852 2.249 0 40 DEAB COc1ccc(CC(=O)NC[C@H](C(=O)O)c2ccccc2)cc1 95408269 YPNIJKULVSNCFS-INIZCTEOSA-N 313.353 2.222 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)N1CC[C@H](Oc2cccnc2)C1 95416756 MOZGPYTZIRTZNS-CJNGLKHVSA-N 315.373 2.469 0 40 DEAB Cc1cc(F)c(S(=O)(=O)N[C@H](C)C[C@H]2CCOC2)cc1F 95417543 JSKBTQUMJWERPM-GHMZBOCLSA-N 319.373 2.367 0 40 DEAB Cc1csc2nc([C@@H]3CC(=O)N(CC4CCC4)C3)[nH]c(=O)c12 95417505 AGQVLXPAJOIWKJ-LLVKDONJSA-N 317.414 2.409 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(Cl)ccn1)CC2 84800886 MKWMLQZSPPLNEA-KBPBESRZSA-N 324.808 2.127 0 40 DEAB Cc1c(CSC(C)C)cccc1NC(=O)Cn1cnnn1 76040809 BWVLBOCWQOGFDV-UHFFFAOYSA-N 305.407 2.262 0 40 DEAB CC(C)c1cc(NC(=O)N2CC(=O)N[C@@H]3CCCC[C@H]32)no1 98020370 HAEISRPRYQTJFP-GHMZBOCLSA-N 306.366 2.073 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c(C)o1 76496594 RAUNUDLADFVDQQ-KGLIPLIRSA-N 313.419 2.324 0 40 DEAB C[C@H]1CN(C(=O)COc2ccc(-c3ccccc3)nc2)CCO1 95993943 UBNVZPNCKOYHQB-AWEZNQCLSA-N 312.369 2.375 0 40 DEAB C[C@H](CNC(=O)CCc1ccc(Br)cc1)C(=O)O 95989505 SPUVZEBTVOJQFV-SECBINFHSA-N 314.179 2.219 0 40 DEAB C[S@@](=O)c1nncn1CC(=O)c1ccc(Cl)c(Cl)c1 78989627 IRVRQSRYERJGQI-IBGZPJMESA-N 318.185 2.205 0 40 DEAB CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@@H](O)c1ccco1 78939146 ZMSCKJPVYPGUMV-SECBINFHSA-N 311.769 2.253 0 40 DEAB Cn1nc(-c2ccncc2)cc1NC(=O)Cc1cccc(O)c1 75162310 FKWSQYKZLKKKCV-UHFFFAOYSA-N 308.341 2.369 0 40 DEAB Cn1ccc(C(=O)N[C@H]2CCCC[C@H]2OC2CCCC2)cc1=O 89858531 JSFZUIUBZLIWHU-JKSUJKDBSA-N 318.417 2.386 0 40 DEAB Cc1ccc(O)c(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)c1 409366623 XEYXTTOPMBGIKO-UHFFFAOYSA-N 314.345 2.355 0 40 DEAB Fc1ccc(CN2CCN(c3nccn4ccnc34)CC2)cc1 306127304 FUUDBSOIKBNAND-UHFFFAOYSA-N 311.364 2.191 0 40 DEAB O=C(c1cccnn1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 529368662 XHDZKMSZJUTQMA-BFYDXBDKSA-N 309.369 2.121 0 40 DEAB CCn1nc(C)c(CNc2nc(C)nc3c(C)nn(C)c23)c1C 32650585 QOGXKVOWSWCNQM-UHFFFAOYSA-N 313.409 2.425 0 40 DEAB CC[C@H](CO)N1CCN(Cc2csc(-c3ccoc3)n2)CC1 75963274 XXACDEDQYLUWOH-OAHLLOKOSA-N 321.446 2.292 0 40 DEAB C[C@]1(CCc2ccccc2)NC(=O)N(CC[C@@H]2CCCO2)C1=O 189168006 XPRFCUHGGHGMLJ-MAUKXSAKSA-N 316.401 2.499 0 40 DEAB O=C(O)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 218040299 RNTIHOVXFWISGI-KKUMJFAQSA-N 302.351 2.327 0 40 DEAB C[C@H](O)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 189119751 ROOYLWUJYISLJL-QMMMGPOBSA-N 305.271 2.373 0 40 DEAB CC(C)N(CC(=O)O)C[C@@H]1CCCN1C(=O)OC(C)(C)C 79392390 NYTKPDGZLVBTDS-LBPRGKRZSA-N 300.399 2.181 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC 88269805 UCWJABLHLLZMIZ-OLZOCXBDSA-N 307.394 2.063 0 40 DEAB CCC1(CC)CN(CCCN2CCCCC2)CCS1(=O)=O 225453664 QFBFBXOYZNCJOY-UHFFFAOYSA-N 316.511 2.152 0 40 DEAB CC(C)c1ccccc1OCc1ncc(CCC(=O)O)c(=O)[nH]1 223445254 WYZQTXOERRUNLV-UHFFFAOYSA-N 316.357 2.490 0 40 DEAB Cc1cccc(CS(=O)(=O)NCc2cnn3ccccc23)c1 75162967 UHGDHHLWIHIVCA-UHFFFAOYSA-N 315.398 2.262 0 40 DEAB CCOCCOc1ccc(NC(=O)C2(OC)CCCC2)cn1 225887516 IOVOVJKLFADGOO-UHFFFAOYSA-N 308.378 2.395 0 40 DEAB O=C1N(Cc2cccnc2)CC[C@]12CNC[C@H]2c1ccccc1 96201907 VWXMVCFFAFFUBD-PKOBYXMFSA-N 307.397 2.187 0 40 DEAB NC(=O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695173 MFLKCZFTHQVPOA-UHFFFAOYSA-N 321.730 2.451 0 40 DEAB Cc1nn(C)cc1C(=O)NCCNc1ccc2ccccc2n1 96436743 ZBEPWBVMWZQFPO-UHFFFAOYSA-N 309.373 2.119 0 40 DEAB Cc1cc(C(=O)Nc2cc(N(C)C)ncn2)nn1[C@H](C)C1CC1 333915095 YUMYVRVRZWFVST-LLVKDONJSA-N 314.393 2.271 0 40 DEAB Cn1cc(CN2CC[C@@H]3CN(Cc4cccs4)C[C@@H]3C2)cn1 96054164 FJSUMNURZFUYIE-CVEARBPZSA-N 316.474 2.436 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccco1 96184563 KQEMMVABRHFIID-KGLIPLIRSA-N 303.387 2.225 0 40 DEAB Cn1cccc1C(=O)N1CC2(CCN(Cc3ccsc3)C2)C1 96202769 KLLNQRNQKDDGSB-UHFFFAOYSA-N 315.442 2.435 0 40 DEAB O=C([C@H]1CCCN(Cc2cc(F)cc(F)c2)C1)N1CCOCC1 179890460 LQOURFWTKOGYAQ-AWEZNQCLSA-N 324.371 2.036 0 40 DEAB O=C(C1CC1)N1CCC2(CC1)C[C@H](OCc1ccccn1)CO2 96106925 DTGRXDREDNMLFW-INIZCTEOSA-N 316.401 2.158 0 40 DEAB O=C(c1ccoc1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042120 TYQFLEWCFQLXLD-HRCADAONSA-N 314.341 2.126 0 40 DEAB CN(C)S(=O)(=O)N1CCC[C@@H]1[C@@H]1CCCc2ccccc21 96452753 MAGJSMZLVCTVOW-HZPDHXFCSA-N 308.447 2.377 0 40 DEAB CCn1nccc1-c1cnc(C[C@H]2CCCN(C(C)=O)C2)cn1 257255687 KIMBAGWFUCYXJP-CQSZACIVSA-N 313.405 2.161 0 40 DEAB COc1cc(NC(=O)c2ccn(C(C)C)n2)ccc1C(=O)O 263019217 TVSCJUZSRNHAJM-UHFFFAOYSA-N 303.318 2.423 0 40 DEAB CCO[C@H]1CN(C(=O)c2cccc(O)c2)Cc2cccn2C1 575405359 HNQUWICUHOOALQ-MRXNPFEDSA-N 300.358 2.255 0 40 DEAB O=C(Cc1ccccc1F)N1CCO[C@H](c2ccncc2)C1 585180240 BCISTDYVVYVWTN-INIZCTEOSA-N 300.333 2.363 0 40 DEAB CCc1ccc(CN2Cc3ccnn3[C@H](CC(=O)NC)C2)cc1 585111586 CYROCKNPLYMWRF-QGZVFWFLSA-N 312.417 2.139 0 40 DEAB Cc1cccc(OCCNC(=O)c2ccc(-n3ccnc3)nc2)c1 44896763 YPLZVWNEYFWWRL-UHFFFAOYSA-N 322.368 2.385 0 40 DEAB CN(CC(=O)Nc1nc2c(s1)CCC2)C(=O)c1cccs1 46169684 AKHSXUQLFONORM-UHFFFAOYSA-N 321.427 2.404 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H](n2ccnc2)C1 71796469 PGRVGPDKGOLBLE-NSHDSACASA-N 308.769 2.239 0 40 DEAB CCc1nc([C@@H]2CCCN2c2nn3cc(C)nc3s2)no1 75573006 OLGLBDAXJSIYEK-VIFPVBQESA-N 304.379 2.386 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nc(C2CC2)no1 106845136 SAMWSKCKXGGYRM-BYCMXARLSA-N 318.421 2.483 0 40 DEAB CCC(C)(C)C(=O)C(=O)NC1(C(=O)NCC(C)C)CCCC1 1587629664 JKIHSUMPDWRTCF-UHFFFAOYSA-N 310.438 2.193 0 40 DEAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)C(=O)c1ccc(Cl)cc1 13165100 AODPBODBIRSTCF-SSDOTTSWSA-N 309.778 2.369 0 40 DEAB COCCN(CCOC)Cc1c(C)[nH]c2c(C)cccc2c1=O 5813315 SUKOPSRYBKLQCF-UHFFFAOYSA-N 318.417 2.240 0 40 DEAB COCC(=O)N1CCC(c2nc3ccc(F)cc3cc2N)CC1 12087993 JZSKVYFVVONMGC-UHFFFAOYSA-N 317.364 2.309 0 40 DEAB COc1ccc2oc(=O)c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1 12417933 LEMIBJYLURXYFR-PHIMTYICSA-N 317.341 2.051 0 40 DEAB Cc1ccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)cc1 13648828 JOMYLZHEMZZRLH-AWEZNQCLSA-N 324.446 2.020 0 40 DEAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H](CO)Cc1ccccc1 153519746 DXROWCJSSDBWOK-ABAIWWIYSA-N 317.389 2.255 0 40 DEAB FC(F)c1nnc2n1CCN(Cc1nc(C3CCCC3)no1)C2 521918928 RZDGFKGVVDLGDW-UHFFFAOYSA-N 324.335 2.272 0 40 DEAB CN(C)C(=O)[C@H]1CCCN1C(=O)c1ocnc1-c1ccccc1 556122728 YOIVZABUVNRZJC-CYBMUJFWSA-N 313.357 2.034 0 40 DEAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 3564289 PFXQNARHKIRLOB-LBPRGKRZSA-N 302.330 2.500 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3ccccn3)C2)nc1 1776000782 JNFYQMPEEOPLQY-CQSZACIVSA-N 312.373 2.111 0 40 DEAB C[C@@H](Cc1cc2ccccc2o1)NC(=O)c1cccn(C)c1=O 253471828 FXCXIUNYLJAVNZ-LBPRGKRZSA-N 310.353 2.493 0 40 DEAB COC(=O)c1ccc(COc2ccc(-c3nnn[nH]3)cc2)cc1 108612 QXQXLEOJBFRZKE-UHFFFAOYSA-N 310.313 2.232 0 40 DEAB COC(=O)c1c(NC(=O)c2ccnn2C)sc2c1CCC2 11695066 GZTHLESUBBUVCM-UHFFFAOYSA-N 305.359 2.009 0 40 DEAB O=C1NCCN1C(=O)NC[C@@H](c1ccco1)c1cccs1 585147714 MUBTUEUKYXIRAT-JTQLQIEISA-N 305.359 2.208 0 40 DEAB CN1C(=O)CCc2cc(NC(=O)Cc3ccccc3O)ccc21 104918669 WGWKOBQCSAIVCB-UHFFFAOYSA-N 310.353 2.482 0 40 DEAB CCc1cccc(N2C[C@H](C(=O)Nc3nncs3)CC2=O)c1 40496263 IARPRMFQMNHYQN-LLVKDONJSA-N 316.386 2.092 0 40 DEAB CCC(CC)[C@@H](CNC(=O)c1c(C)noc1C)N1CCOCC1 40490401 AFDHFQLENWBTMT-OAHLLOKOSA-N 323.437 2.158 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)[C@@H]2CC(=O)N(CC)C2)c1 46148356 GPSCNHHTNMHPRT-GFCCVEGCSA-N 320.389 2.291 0 40 DEAB NC(=O)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 21222346 MQGCWHXHAXRDAZ-UHFFFAOYSA-N 320.352 2.283 0 40 DEAB Cc1cccc(NC(=O)CN(C)c2cc(Cl)nc(N)n2)c1C 32778808 QOCJPILLJPMRFI-UHFFFAOYSA-N 319.796 2.404 0 40 DEAB CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cccnc1)C(=O)C2 4269746 BYFCTMDOBOCWLE-NHYWBVRUSA-N 308.403 2.219 0 40 DEAB CN(c1ccc(C(N)=O)cc1)c1c(O)[nH]c2ccccc2c1=O 8615149 XSLOALFHLJSWRC-UHFFFAOYSA-N 309.325 2.101 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1nccnc1N 8724041 FXUVTVMDGIUYIV-JTQLQIEISA-N 324.340 2.277 0 40 DEAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H](C)NC(N)=O 58925954 HKZAAOMNYPRKAV-NWANDNLSSA-N 303.406 2.228 0 40 DEAB Cc1noc([C@@H]2CCCN(C[C@H](O)c3ccc(F)cc3)C2)n1 52862409 NEFITRBOSXECHC-HIFRSBDPSA-N 305.353 2.430 0 40 DEAB C[C@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986832 LLUWSSBRQOQBJF-KXJSDCOFSA-N 322.474 2.381 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@@H]2Cc3ccccc3O2)no1 46875705 MVCCVGCEZLRUFJ-AWEZNQCLSA-N 301.346 2.128 0 40 DEAB Cn1ccs/c1=N/C(=O)[C@@H]1CCCN1Cc1ccccc1 104190003 FADNRABTBRPOPZ-VUAZUDAXSA-N 301.415 2.179 0 40 DEAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@@H]1C1CCCC1 54138885 CTHOYKQLTMSVGN-OAHLLOKOSA-N 311.389 2.457 0 40 DEAB O=C(Nc1c[nH]ccc1=O)C1CCN(Cc2ccccc2)CC1 57171022 ZILBWIXOXUXBCS-UHFFFAOYSA-N 311.385 2.226 0 40 DEAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c1 100856713 BSPKOPKXGOBXFJ-HNNXBMFYSA-N 324.336 2.437 0 40 DEAB CC(=O)N1CCC(C(=O)N[C@@H](C)c2sc(C)nc2C)CC1 56021308 JDGQVVYHULBNNK-JTQLQIEISA-N 309.435 2.196 0 40 DEAB C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1cccs1 26242704 MFAHTBIURFIQNV-LBPRGKRZSA-N 317.418 2.131 0 40 DEAB COC(=O)c1cc(NC(=O)c2ccoc2)cc(C(=O)OC)c1 12682836 NUASIDYMAXXQMD-UHFFFAOYSA-N 303.270 2.105 0 40 DEAB Cc1cccc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)c1C 22693477 OYNWAPBIFVMTAE-INIZCTEOSA-N 304.434 2.390 0 40 DEAB CCn1c(C)cc(C(=O)NCCNC(=O)c2cccs2)c1C 58113309 MAPWSXBMNGOFGQ-UHFFFAOYSA-N 319.430 2.346 0 40 DEAB COCCN(Cc1noc(-c2ccc(OC)cc2)n1)C1CC1 58165987 UEFUKTMGQRHTHY-UHFFFAOYSA-N 303.362 2.356 0 40 DEAB COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 58224952 RIGSHIPWEYHROU-OUCADQQQSA-N 320.389 2.330 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)NCc2c[nH]nc2C)c1 58378402 OERZGVVVAMOLCM-GFCCVEGCSA-N 301.346 2.004 0 40 DEAB O=C(NCc1nnc2n1CCC2)N[C@@H]1CCCc2ccccc21 48260900 AZVXEYYWWPLGOF-CQSZACIVSA-N 311.389 2.101 0 40 DEAB COC(=O)c1ccc(Nc2cnn(Cc3ccccc3)c2)nn1 48237822 GWLWJAOZMFDLJI-UHFFFAOYSA-N 309.329 2.252 0 40 DEAB Cc1cccc(OCCNc2nn3c(=O)cc(C)nc3s2)c1 48309723 XRBJYPXVNXMALM-UHFFFAOYSA-N 316.386 2.259 0 40 DEAB COc1cc(CN(C)C(=O)[C@@H]2CCCO2)ccc1OC(F)F 48343505 VAOJWXXUQPCBPP-LBPRGKRZSA-N 315.316 2.434 0 40 DEAB O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NC1CCCCC1 3458167 JWEPDBGKKUQGDX-UHFFFAOYSA-N 321.421 2.080 0 40 DEAB NC(=O)[C@H]1CCCN1c1nc(C(F)(F)F)nc2ccccc12 8708711 QFJVPOCKKZHEFV-SNVBAGLBSA-N 310.279 2.103 0 40 DEAB CC1CCC(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 13134969 KOTXEZMBLVINSZ-WUCCLRPBSA-N 318.417 2.023 0 40 DEAB COc1ccc(CNC(=O)Cc2cccc(F)c2)cc1C(=O)O 13392580 LNAZUYHBCFPZBK-UHFFFAOYSA-N 317.316 2.391 0 40 DEAB C[C@@H]1CN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C[C@@H](C)O1 6113562 WHAKKPAKTZULNF-RBSFLKMASA-N 302.418 2.069 0 40 DEAB COC[C@@H](C)N(C)C(=O)c1[nH]nc(C2CC2)c1Br 65107917 YIIAWRJCZZMOLL-SSDOTTSWSA-N 316.199 2.157 0 40 DEAB CC[C@H](C)C(=O)Nc1ccccc1CN1CCC[C@H](C(N)=O)C1 65576283 YKUNRULPVVNDEH-ZFWWWQNUSA-N 317.433 2.369 0 40 DEAB COC(=O)CCN(Cc1ccccc1)C(=O)c1c(C)noc1C 65575475 PWXCMSAIUFOYFQ-UHFFFAOYSA-N 316.357 2.497 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](C(C)C)C2=O)cc1Cl 9503428 SMSLNXBKPGRJIL-ZDUSSCGKSA-N 323.780 2.163 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)N[C@@H](C)CN2CCCC2=O)s1 96415548 XETWEFIJABMMCZ-NEPJUHHUSA-N 323.462 2.298 0 40 DEAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCOCC1 6771623 YIAXFVBTAIPYBE-UHFFFAOYSA-N 303.337 2.101 0 40 DEAB Cc1cc(C(=O)NCCOc2ccccc2)c2c(C)nn(C)c2n1 14899940 XOVKFPQUYXZPOJ-UHFFFAOYSA-N 324.384 2.394 0 40 DEAB COC(=O)c1ccc(F)cc1S(=O)(=O)N(C)c1ccccc1 66574911 NUYQBNSKKSPMHU-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB CC(C)(C)[C@@H]1CCCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1 96407294 RCOYWFFZTQEKLO-UONOGXRCSA-N 315.479 2.486 0 40 DEAB Cc1ccccc1[C@@H](C)NC(=O)CSc1nnnn1C1CC1 15050611 AFMCGTQKUQPZQQ-LLVKDONJSA-N 317.418 2.286 0 40 DEAB C[C@H](NC1CCC(NS(C)(=O)=O)CC1)c1ccccc1F 90081926 WIVUMROGBWXIAC-HIFPTAJRSA-N 314.426 2.337 0 40 DEAB CCc1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 7348192 AAJPTQJWEJNBGK-UHFFFAOYSA-N 301.327 2.459 0 40 DEAB CN(C)[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccco1 15831441 FJTQLTNDCDKPDE-AWEZNQCLSA-N 306.337 2.217 0 40 DEAB COC(=O)[C@H]1C[C@H](NC(=O)c2cccc(F)n2)c2ccccc21 96010935 XPFZGNKBVLJKRO-JSGCOSHPSA-N 314.316 2.352 0 40 DEAB O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1 16051121 PKVYAWRWYXZABP-UHFFFAOYSA-N 322.320 2.324 0 40 DEAB Cc1cccnc1CNC(=O)Nc1ncn(-c2ccccc2)n1 96013022 BGBZZOLBYDRZGM-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB CC(=O)N[C@H](CC(=O)OCC(=O)c1ccc[nH]1)c1ccccc1 9384529 NCWWCKOEDRXTBZ-OAHLLOKOSA-N 314.341 2.008 0 40 DEAB CN(C)[C@H](C(=O)N1CCC[C@@H](n2cccn2)C1)c1ccccc1 69371201 ZREXPBQHJVMJQT-SJORKVTESA-N 312.417 2.350 0 40 DEAB C[C@H]1CCCN(C(=O)Nc2ccc(CS(C)(=O)=O)cc2)C1 69462885 QDMNACFEJPUTLN-LBPRGKRZSA-N 310.419 2.495 0 40 DEAB Cc1noc([C@@H](C)NC(=O)NCC2(N(C)C)CCCCC2)n1 69490104 TUAXHEFIZFWXEL-LLVKDONJSA-N 309.414 2.003 0 40 DEAB C[C@H](NC(=O)N1CC[C@@H](c2cccc(F)c2)C1)c1nncn1C 69698637 VFTNDVOWDUYVGO-WCQYABFASA-N 317.368 2.214 0 40 DEAB Cc1ccc(-c2nc(CN[C@H]3CCc4ncnn4C3)cs2)o1 69661380 DBASTVLJDFGACK-NSHDSACASA-N 315.402 2.408 0 40 DEAB Cc1nc(N2CCNC(=O)C[C@@H]2C)c2c3c(sc2n1)CCC3 71889446 XIRZWACOVBAGRY-VIFPVBQESA-N 316.430 2.203 0 40 DEAB CCCO[C@H]1CCCN(C(=O)c2cnc3c(c2)c(C)nn3C)C1 71835103 JXVGUJJNTJMGNY-AWEZNQCLSA-N 316.405 2.308 0 40 DEAB Cc1cc(N)nc(S[C@H]2CCN(c3ccccc3F)C2=O)n1 71899870 OBMGBOFGUVBZBX-LBPRGKRZSA-N 318.377 2.404 0 40 DEAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 71914463 UHQWVJPVGFCZBI-GFCCVEGCSA-N 324.371 2.196 0 40 DEAB O=C([C@@H]1Cc2cccc(F)c2O1)N1CCC[C@H](c2ccn[nH]2)C1 72297134 FRQWWWUJJJTGRQ-WFASDCNBSA-N 315.348 2.259 0 40 DEAB CCn1nc(C(=O)N2CCCC[C@H]2c2nccs2)ccc1=O 72285808 QKKYRJVXXNZYSL-LBPRGKRZSA-N 318.402 2.087 0 40 DEAB CCc1nnc([C@@H](C)n2c(=O)ncn2-c2cc(C)ccc2C)o1 97105140 VTWURNFXHNFMAM-GFCCVEGCSA-N 313.361 2.206 0 40 DEAB CCn1cc(CN2CCNC(=O)[C@@H]2c2ccccc2Cl)cn1 97108647 SEEORGHARWCCJV-HNNXBMFYSA-N 318.808 2.230 0 40 DEAB O=C(NCCCn1ccnn1)NCc1ccc2ccccc2c1 97107931 MWLLLQAEFDFMTG-UHFFFAOYSA-N 309.373 2.321 0 40 DEAB O=C(NCC(=O)N1CCCc2ccccc21)[C@H]1C[C@H]1c1ccco1 84581948 GXHQGDBGWGMEEH-CABCVRRESA-N 324.380 2.479 0 40 DEAB O=C1COc2ccccc2N1CCCNc1cccc(F)n1 78370142 IOROUEWTLIWHQP-UHFFFAOYSA-N 301.321 2.448 0 40 DEAB CN(C)c1nccc(CNC(=O)CSCc2cccs2)n1 95463127 GVKHBJXZUXLHDG-UHFFFAOYSA-N 322.459 2.154 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)NC[C@@H]1CCC(=O)N1 95407955 BXFGWYBTFAHVSQ-NSHDSACASA-N 310.781 2.137 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N[C@H]1CCC[C@@H](C2CC2)C1 95409964 XBMALZSUEXBWBF-KGLIPLIRSA-N 317.437 2.035 0 40 DEAB CCOC(=O)c1cnc(C)c(C(=O)NC[C@@H](OC)C(C)(C)C)c1 95453455 NHCNXGFDKHSHEZ-CQSZACIVSA-N 322.405 2.358 0 40 DEAB COc1cc(CNc2ccc(F)c(-n3nnnc3C)c2)ccn1 95449590 ROIBYRSVEHJONU-UHFFFAOYSA-N 314.324 2.126 0 40 DEAB C[C@H]1C[C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)CCO1 95455673 HIZFJXAECQVCJW-YUMQZZPRSA-N 301.272 2.123 0 40 DEAB COc1cccc([C@H](O)CNc2nc(N)c3ccccc3n2)c1 95449382 RVOIKTBXUIPRLS-OAHLLOKOSA-N 310.357 2.366 0 40 DEAB C[C@@H](NCC1(O)CCSCC1)c1ccc([S@@](C)=O)cc1 95968220 TVUBTMHMJQSEDV-ODXCJYRJSA-N 313.488 2.333 0 40 DEAB CN(C(=O)COc1nnc(-c2ccccc2)o1)c1nccs1 95993775 RBSWIHLJFFNSFL-UHFFFAOYSA-N 316.342 2.235 0 40 DEAB CCc1nc(CC)n(CC(=O)Nc2ccc(C(C)=O)cc2)n1 75092359 IZGAHWZJWFARCX-UHFFFAOYSA-N 300.362 2.244 0 40 DEAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCc3nnc(N)cc3C2)c1 75129035 TUYFWMXNEIATCY-GJZGRUSLSA-N 308.385 2.056 0 40 DEAB CCCC[C@](N)(C(=O)OC)c1cncc(Br)c1 22114031 IMJCEDWUDGKTLD-GFCCVEGCSA-N 301.184 2.361 0 40 DEAB O=C(C[C@@H]1CC2(CCNCC2)Oc2ccccc21)NC1CC1 306137883 RJCWDPVCBKGTBA-CYBMUJFWSA-N 300.402 2.344 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1ccccc1Cl 409380274 AXPXUIVYDBFNCB-YXMPFFBPSA-N 307.733 2.323 0 40 DEAB O=C(Nc1cccc2nsnc12)[C@@H]1COc2ccccc2O1 35672868 WZJUFHWMJZCRGE-ZDUSSCGKSA-N 313.338 2.470 0 40 DEAB CC(C)C(=O)NC1CCN(Cc2cccc3c2OCCO3)CC1 60215567 USDFPSONKJRRHP-UHFFFAOYSA-N 318.417 2.194 0 40 DEAB Cc1ccc(CNC(=O)[C@@H](C)n2cc(Br)cn2)o1 32611235 SRLXCGYSPGJJOM-SECBINFHSA-N 312.167 2.424 0 40 DEAB O=C(C[C@@H]1CN(C2CCCC2)Cc2ccnn21)N1CC(F)(F)C1 306133365 MJQFEXFAYKCPLY-CQSZACIVSA-N 324.375 2.050 0 40 DEAB CC(C)n1c(N)nnc1SCc1nc(-c2ccoc2)no1 78554440 JJNALKBKSMXIOY-UHFFFAOYSA-N 306.351 2.377 0 40 DEAB CC[C@](NC(=O)c1ccc(F)c(Cl)c1)(C(N)=O)C(C)C 182523132 HCZPWNMKDIEYOR-CQSZACIVSA-N 300.761 2.499 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccccc1Cl 72227580 OLQZIYDWPMCWQJ-HUUCEWRRSA-N 316.744 2.484 0 40 DEAB CCOC[C@H]1CCCN(C(=O)N[C@@H](C)Cn2nc(C)cc2C)C1 73042852 WCPLLFKHNZVVPC-HOCLYGCPSA-N 322.453 2.347 0 40 DEAB Cc1noc(C)c1CC(=O)N(C[C@H]1CCCO1)c1ccncc1 79310478 PFPBKBJYHPEYBA-OAHLLOKOSA-N 315.373 2.441 0 40 DEAB O=C(c1ccccn1)N1CC[C@H](Oc2cnc3ccccc3n2)C1 675007710 JPJBQYILHCZQDW-ZDUSSCGKSA-N 320.352 2.318 0 40 DEAB C[C@@H](Cc1cccs1)NC(=O)C(=O)NCc1cccs1 38566096 KNXYKDRMNRAHSD-JTQLQIEISA-N 308.428 2.173 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)Nc2cnc3ccnn3c2)c1 225575736 XRLJFWPASPXPIC-UHFFFAOYSA-N 302.359 2.147 0 40 DEAB Cc1ccc(NC(=O)CSC[C@H]2CN(C)CCO2)cc1F 567848968 HAIFUCKRAKOPKD-CYBMUJFWSA-N 312.410 2.136 0 40 DEAB CCOC(=O)c1ccccc1Nc1cc(N)nc(CCOC)n1 49467759 XWUDEZPKFIZDME-UHFFFAOYSA-N 316.361 2.168 0 40 DEAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)[nH]1 223635382 XSGLORNRPHOFQZ-LSDHHAIUSA-N 316.430 2.073 0 40 DEAB O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)C1CC1 96185296 JWQBFXSFAWSZNN-OAGGEKHMSA-N 320.458 2.111 0 40 DEAB COc1ccccc1C(=O)NCC(=O)N1CCC[C@@H]1CC(C)C 97096075 LLOJTPCUJVTIAC-CQSZACIVSA-N 318.417 2.462 0 40 DEAB Cc1occc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1ccccn1 96064017 GSGGLXSOJVGXKP-DLBZAZTESA-N 311.385 2.472 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4c(C)noc4C)C[C@H]3O2)no1 96046184 LVXNAMOFJGFDSG-NWANDNLSSA-N 318.377 2.335 0 40 DEAB CCn1nnc2c1[C@@H](COC)CN(Cc1ccc(C)s1)C2 96060834 FSSZFEWAISIVDG-GFCCVEGCSA-N 306.435 2.414 0 40 DEAB COCCOCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 96410171 CMMVPSFWXHXQEU-INIZCTEOSA-N 306.406 2.079 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)c(=O)[nH]1 96432109 MURALJAVBDXJDD-CYBMUJFWSA-N 322.368 2.360 0 40 DEAB O=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccccn3)CC2)N1 96061456 IGDNCPNQPSFHGB-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)c1ccc(O)nn1 96432694 DHOLOMXOHJEWEP-CQSZACIVSA-N 305.284 2.342 0 40 DEAB c1ccc(-c2nc(CSCCN3CCOCC3)no2)cc1 96485728 LSBMBVHJTGLPQZ-UHFFFAOYSA-N 305.403 2.302 0 40 DEAB Cc1ccc(C(=O)N2C[C@@H](OCC3CC3)[C@H]3OCCC[C@H]32)cn1 96042385 HUFBFNNJLOEUHV-ZACQAIPSSA-N 316.401 2.189 0 40 DEAB C[C@@H](C(=O)NCC(F)(F)F)N(C)Cc1ccc(F)c(F)c1 95430152 RZUBFZFIWKDBKU-QMMMGPOBSA-N 310.266 2.464 0 40 DEAB c1coc(CN2CCN(CCn3cccn3)c3ncccc3C2)c1 96198986 DYAFYJMHFNGSQH-UHFFFAOYSA-N 323.400 2.394 0 40 DEAB Cc1c(NC(=O)Nc2cccc(F)c2)c(C(=O)N(C)C)nn1C 96182448 SYVAIFCTQAXGHE-UHFFFAOYSA-N 319.340 2.213 0 40 DEAB CCCCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 244322120 XJALMXCFRLGPLO-UHFFFAOYSA-N 318.826 2.022 0 40 DEAB COC(=O)[C@@H]1CCc2nnc(Cn3ccc4ccccc43)n2C1 601044511 OYVQLFYWGJJHKF-CYBMUJFWSA-N 310.357 2.017 0 40 DEAB CCN(CC)C(=O)N1CCC[C@H](C(=O)Nc2ccccn2)C1 42395959 OFFLFJVKUGGWST-ZDUSSCGKSA-N 304.394 2.194 0 40 DEAB CN(C(=O)c1ccccc1F)[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257305312 SPJHYQKLJXYWCJ-BRWVUGGUSA-N 320.408 2.276 0 40 DEAB O=C(c1ccnnc1)N1Cc2nccn2C[C@@H]1c1ccccc1 257230174 GBDUTLUIMJBQQS-OAHLLOKOSA-N 305.341 2.070 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2cccn2)cc1F 48173645 FJFVYGRXXRYPOI-VXGBXAGGSA-N 320.368 2.480 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1C[C@H](O)c1ccccc1Cl 51260034 OHNPRTQVSLRWFB-LBPRGKRZSA-N 308.765 2.238 0 40 DEAB C[C@H](NC(=O)CSCC(N)=O)c1ccccc1C(F)(F)F 56997167 UVTOFBRWUKZSLS-QMMMGPOBSA-N 320.336 2.101 0 40 DEAB CC[C@H](CO)NC(=O)Nc1cnn(-c2ccccc2Cl)c1 72303952 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COc1cccc(C(=O)N(C)c2c(F)cccc2C(N)=O)c1F 153244886 MDKYYOOGFNLYKY-UHFFFAOYSA-N 320.295 2.349 0 40 DEAB CCCc1cnc2c(c1SC(C)C)c(=O)n(C)c(=O)n2C 10216667 XFRNZIBUTKNSOP-UHFFFAOYSA-N 307.419 2.085 0 40 DEAB CN(CC(=O)O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 252517591 MECWROBWYIWUOB-SHTZXODSSA-N 320.389 2.240 0 40 DEAB CONC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 25825024 CVNQDGSPVBFPDY-CQSZACIVSA-N 312.369 2.370 0 40 DEAB O=C1NCCCC[C@@H]1NCc1ccc(F)c(Br)c1 36977183 XSUAWPUTAVUYMQ-LBPRGKRZSA-N 315.186 2.347 0 40 DEAB CCN[C@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 5258266 ORRXMFBDJCPDPE-SNVBAGLBSA-N 305.161 2.385 0 40 DEAB Cc1ccccc1C(=O)N[C@@H]1CCc2onc(CN(C)C)c2C1 2055730129 CCWCBNFGKPXEBT-CYBMUJFWSA-N 313.401 2.332 0 40 DEAB CCc1nnc(NC(=O)/C=C\c2ccc3c(c2)OCO3)s1 23153884 AELGBXFLBXTREY-XQRVVYSFSA-N 303.343 2.481 0 40 DEAB CSc1nc(C)cc(N2CC(c3nnc4ccccn34)C2)n1 2298209828 RMLGQHBIYMPHRW-UHFFFAOYSA-N 312.402 2.153 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1 82033 ASGASGHVHLUNLE-UHFFFAOYSA-N 319.386 2.021 0 40 DEAB Cc1cnc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)s1 40497544 ARQWZGFYAIIGAR-LLVKDONJSA-N 303.391 2.097 0 40 DEAB Cn1cnnc1-c1cccc(NC(=O)[C@@H]2Cc3ccccc3O2)c1 32028609 ZINNHLKOCVRCNP-INIZCTEOSA-N 320.352 2.424 0 40 DEAB O=C(CNc1ccc(-n2nccn2)cc1)N1CCc2ccccc21 45802615 LFWWSPQOLJIARI-UHFFFAOYSA-N 319.368 2.269 0 40 DEAB Cc1cc(NC(=O)CCn2c(=O)sc3ccccc32)no1 246119 JBBZSXIDCKVFKG-UHFFFAOYSA-N 303.343 2.388 0 40 DEAB CCCn1[nH]cc/c1=N\C(=O)CN(C)[C@H](CC)c1ccncc1 101850506 FLZRWPPRUVMOAH-OQCHKFKFSA-N 315.421 2.132 0 40 DEAB C[C@H](N[C@H]1CCc2ncnn2C1)c1nnc(-c2cccs2)o1 69596528 RCXIMTLYXYKRSC-UWVGGRQHSA-N 316.390 2.055 0 40 DEAB COC(=O)[C@](O)(c1cc(C)c2nc(N)sc2c1)C(F)(F)F 2758743 RVNLBKTZHRLTLK-LLVKDONJSA-N 320.292 2.110 0 40 DEAB CCOC(=O)CSc1nc(CNc2ccc(C)cc2)n[nH]1 6499511 KKLTYVXEMDEWKC-UHFFFAOYSA-N 306.391 2.380 0 40 DEAB CCCNCc1ccc(OCC(=O)NC(C)(C)C)c(OC)c1 7262351 MAOIRMXAAJXNMM-UHFFFAOYSA-N 308.422 2.488 0 40 DEAB Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)sc2ccc(F)cc12 53062304 UIFXUGQMNLGOGW-VIFPVBQESA-N 306.362 2.296 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCc2nc(-c3ccccn3)no2)c1 69629480 GCTRVPVJFFUZQZ-STQMWFEESA-N 312.377 2.376 0 40 DEAB CCCc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1 69665622 WAJOUGMPCKWJPQ-HNNXBMFYSA-N 303.450 2.005 0 40 DEAB Cc1ccc(-n2ccn(Cc3cccc(F)c3)c(=O)c2=O)cc1 22722933 AKKRLNBWTNPIJG-UHFFFAOYSA-N 310.328 2.495 0 40 DEAB O=C(c1cscn1)N1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2 100131794 DEMKMVXPMIBXFD-QWRGUYRKSA-N 304.371 2.391 0 40 DEAB O=C1NC2(CCCCCC2)C(=O)N1C[C@@H](O)c1ccccc1 24089788 DENPOWRMKMNBAM-CQSZACIVSA-N 302.374 2.365 0 40 DEAB O=S(=O)(NCc1cccs1)NCc1ccccc1F 1387526 VUBCZHGKIXCQKK-UHFFFAOYSA-N 300.380 2.011 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)[N][C@@H](C)c1ccc(C)o1 100797326 KVAHGHDQKFANNN-NSHDSACASA-N 322.362 2.429 0 40 DEAB O=C(CCn1cncn1)N1CCC[C@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648491 STXQSMQZUZULNE-VGWMRTNUSA-N 302.422 2.486 0 40 DEAB O=C(NOCc1ccccc1)C1=NN(c2ccccc2)C(=O)CC1 25282833 CPRHEBBERPAWAX-UHFFFAOYSA-N 323.352 2.417 0 40 DEAB CC[C@H]1CN(CCOc2ccc(C)cc2)CCN1C[C@H](C)O 106906644 APCWNYMKOGNEBH-IRXDYDNUSA-N 306.450 2.151 0 40 DEAB O=C(CSc1ncn[nH]1)Nc1ccc(OC(F)F)cc1 3290962 JNBQOQSVONXARH-UHFFFAOYSA-N 300.290 2.137 0 40 DEAB CCN(CC)C(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427448 XARLQLDWDKFSTK-UHFFFAOYSA-N 313.401 2.396 0 40 DEAB CC1=NN(c2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)CC1 57554278 DSWROGUOGAEZNL-OAHLLOKOSA-N 312.417 2.239 0 40 DEAB CC(C)n1ncc2cc(NC(=O)NC[C@H]3CCOC3)cnc21 48064054 MELPCZYJRPSECU-LLVKDONJSA-N 303.366 2.170 0 40 DEAB CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]2Oc1ccccn1 107266249 JMQBKBPNTVRXEJ-IPYPFGDCSA-N 310.419 2.053 0 40 DEAB CCCn1nc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1=O 102402251 JZTMKUWNIDZHGZ-REWJHTLYSA-N 303.406 2.208 0 40 DEAB NC(=O)NC(=O)CNc1ccccc1Oc1cccc(F)c1 58153604 RVZBTHNJGQAUNO-UHFFFAOYSA-N 303.293 2.225 0 40 DEAB C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)C[C@@H](C)O1 44891257 WKHLIHQYJHDRNM-XQQFMLRXSA-N 311.451 2.170 0 40 DEAB CC(C)NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1 58217607 IADLDCCNRAIUPN-UHFFFAOYSA-N 324.808 2.422 0 40 DEAB O=C(NCc1cccs1)Nc1cnn(C[C@@H]2CCCO2)c1 77632190 UOFSGJRIBJUQGA-LBPRGKRZSA-N 306.391 2.445 0 40 DEAB Cc1cc(NC(=O)[C@H](C)S(=O)(=O)c2ccc(C)c(C)c2)no1 44947840 HHGATYQRXSMMGT-LBPRGKRZSA-N 322.386 2.401 0 40 DEAB C[C@@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1Cl 44935975 USELVDAQIHCQHJ-VIFPVBQESA-N 317.773 2.043 0 40 DEAB c1cc2nncn2nc1N1CCCN(CC2CCCCC2)CC1 44978867 NCDKXWYMKBNWCT-UHFFFAOYSA-N 314.437 2.217 0 40 DEAB CCOC(=O)c1ccccc1NC(=O)CSc1nncs1 3328634 RJBMGRZOEZMOJM-UHFFFAOYSA-N 323.399 2.446 0 40 DEAB COC(=O)c1cccc(C(=O)NCc2cn3ccccc3n2)c1 45015462 NCIXNCYNTMZYGY-UHFFFAOYSA-N 309.325 2.051 0 40 DEAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1cccs1 28040922 ATIJZZPOXYVACR-UHFFFAOYSA-N 323.443 2.222 0 40 DEAB CC[C@@H](NC(=O)Cn1ccccc1=O)c1ccccc1OC 36393799 QOSSHVTWCLYVBD-CQSZACIVSA-N 300.358 2.124 0 40 DEAB O=C1CC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)N1 12913267 ZXOWMPBBLZKICU-MRXNPFEDSA-N 310.353 2.483 0 40 DEAB COc1ccc([C@H](CC(=O)Nc2nccs2)NC(C)=O)cc1 8704495 WWBOCCMNHDOLNG-ZDUSSCGKSA-N 319.386 2.358 0 40 DEAB Cc1cc(C)c2nc(NC(=O)CN3CSCC3=O)sc2c1 9452112 XCEFXFNOKZPWHQ-UHFFFAOYSA-N 321.427 2.385 0 40 DEAB Cc1cccc(N2C(=O)/C(=C/NCCO)c3ccccc3C2=O)c1 6174200 GVUDZBUQGYPDCB-SFQUDFHCSA-N 322.364 2.105 0 40 DEAB COc1ccc(C(=O)COC(=O)c2ccc(O)cc2O)cc1 5104232 FDPSWNHJZKFMFB-UHFFFAOYSA-N 302.282 2.146 0 40 DEAB CC(C)CC[C@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 65564324 FGHZVFYDVFPRID-INIZCTEOSA-N 318.465 2.145 0 40 DEAB O=C([C@@H]1CCCO1)N1CCN(Cc2cccc(Cl)c2)CC1 14193029 LMKFTBXRDYWVFZ-HNNXBMFYSA-N 308.809 2.163 0 40 DEAB C[C@@H]1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12 4823241 RXBSJXBWEACSQI-LLVKDONJSA-N 301.346 2.121 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)s1 15195013 SOGDNEPEBVXOBD-LLVKDONJSA-N 303.339 2.477 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(C2CCCC2)C1 7398776 SWBBXFHOSLPEAA-ZDUSSCGKSA-N 304.365 2.233 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3cccc(-c4cn[nH]c4)c3)nn12 90499258 UEMYZLMTUWPUNW-UHFFFAOYSA-N 319.328 2.075 0 40 DEAB O=C(OCc1cn2ccccc2n1)c1ccc2c(c1)OCCO2 7738558 KWGCQXOIHDAWNS-UHFFFAOYSA-N 310.309 2.463 0 40 DEAB CC(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 8315198 LWZUKZXBQMGEOD-QGZVFWFLSA-N 300.402 2.439 0 40 DEAB Cc1cnn(C[C@@H]2CN(Cc3nc4ccccc4o3)CCO2)c1 69452184 CUZJIRPFGCQQMC-AWEZNQCLSA-N 312.373 2.234 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2nccn2CC(F)(F)F)c1 69484800 SWQDRFROPYWUGI-LLVKDONJSA-N 301.316 2.129 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2Cn2cc(C)cn2)cs1 71869893 CVRTVTGNBGIPIQ-AWEZNQCLSA-N 318.446 2.444 0 40 DEAB COc1ccccc1N1CC[C@H](N[C@@H]2CCCSC2)C1=O 97084622 PPXDAVIWBRFNIX-OLZOCXBDSA-N 306.431 2.286 0 40 DEAB COc1cccc(CN(C)C(=O)CNC(=O)c2cccs2)c1 72273037 CBZVHWIGDRPIJE-UHFFFAOYSA-N 318.398 2.145 0 40 DEAB CN(CCCNC(=O)[C@H]1CCc2cn[nH]c2C1)c1ccccc1 72302721 VQEFHRQTGBSFTI-AWEZNQCLSA-N 312.417 2.157 0 40 DEAB O=C([C@@H]1CCCN1C(=O)c1ccccn1)N1CCCCCCC1 79395337 FWUSVGCDKAANQX-INIZCTEOSA-N 315.417 2.479 0 40 DEAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@H](C)CO)cc1 97204320 DIQZQOGBOYLDRJ-LLVKDONJSA-N 304.415 2.466 0 40 DEAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CCn1cncn1 79585238 VQFNYVKCLQCMLD-BDJLRTHQSA-N 302.353 2.247 0 40 DEAB CC[C@@H](CNC(=O)N1CCC[C@H](O)C1)Oc1cccc(C)c1 84733656 GWFPUGBCVMOTNS-GJZGRUSLSA-N 306.406 2.319 0 40 DEAB Cc1cc(C)c(C(=O)NCCc2cc3ccccc3[nH]2)c(=O)[nH]1 95430145 FFNKVVXRYDOSDD-UHFFFAOYSA-N 309.369 2.446 0 40 DEAB CC(=O)N1CC[C@@H](C(=O)N2C[C@H](C)Sc3ccccc32)C1 88221727 HXHFYBUTKKPBAM-WCQYABFASA-N 304.415 2.382 0 40 DEAB O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@H](CCO)C1 95979541 DYCHCZNGXZTHQD-NOZJJQNGSA-N 318.200 2.258 0 40 DEAB O=S(=O)(Nc1ncccc1F)c1cc(F)c(F)c(F)c1 95994116 BIZMNQBCYCUEMJ-UHFFFAOYSA-N 306.240 2.439 0 40 DEAB CCOC(=O)CSc1n[nH]c(COc2ccccc2F)n1 409385207 KATCXVQVGDDPLS-UHFFFAOYSA-N 311.338 2.178 0 40 DEAB C[C@@H](CN(C)C(=O)CCc1cc(Cl)cs1)c1nnn[nH]1 124040459 XYUFBHPOYIDCEA-QMMMGPOBSA-N 313.814 2.109 0 40 DEAB Cc1nnc2c(S(=O)(=O)Nc3ccc(F)c(F)c3)cccn12 62592020 PLMOEAGVLRGGGB-UHFFFAOYSA-N 324.312 2.117 0 40 DEAB C[C@@H]1NC(=S)N(Cc2ccnc(OC3CCCCC3)c2)C1=O 69326455 DLCGVKKLEBCWJZ-NSHDSACASA-N 319.430 2.398 0 40 DEAB Cn1cc(NC(=O)c2cn(C3CC3)c(=O)c3ccccc23)cn1 71284944 FQAJMYGJWIZOMX-UHFFFAOYSA-N 308.341 2.322 0 40 DEAB Nc1nc([C@@H]2CCCN2c2cnccn2)cc(C(F)(F)F)n1 72356638 WQVNLECPWHXQPC-VIFPVBQESA-N 310.283 2.209 0 40 DEAB CC(=O)Nc1ccc(-c2ccnc3c2c(C(=O)O)nn3C)cc1 72339686 VGZBUIGSMSQISZ-UHFFFAOYSA-N 310.313 2.292 0 40 DEAB Cc1nc(-c2ccncc2)sc1C(=O)NCCCN(C)C 31868066 UNFOOCMERLCAIE-UHFFFAOYSA-N 304.419 2.195 0 40 DEAB O=C(NCC[C@H](O)c1ccco1)c1ccc(Br)o1 77111105 GNDFTQVTIQDHRO-QMMMGPOBSA-N 314.135 2.489 0 40 DEAB O=C(NCc1cccs1)c1ccnc(O[C@H]2CCOC2)c1 182262595 AOLROQMWORZFEP-LBPRGKRZSA-N 304.371 2.241 0 40 DEAB CN(C(=O)c1cccs1)[C@H]1CCCC[C@H]1S(C)(=O)=O 76497944 CNQGDZOARYEOQE-CMPLNLGQSA-N 301.433 2.176 0 40 DEAB Cc1cc(CC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)on1 561226218 ZXKNUIVLLORWEN-ZDUSSCGKSA-N 304.350 2.299 0 40 DEAB CC(C)[C@@H]1OCCC[C@@H]1C(=O)Nc1nc2cccnc2n1C 563011388 JOTVWZMZNKNRBI-AAEUAGOBSA-N 302.378 2.358 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](C)c1c(C)noc1C)C2 72279092 FJQKRKULXKARRX-GXFFZTMASA-N 302.378 2.031 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CCC[C@H]1c1ccc(O)nn1 530075526 LDPFRVFNKGFQQL-AWEZNQCLSA-N 319.311 2.367 0 40 DEAB COCCN1C(=O)N[C@H](c2cccc(C)c2)C(C(=O)OC)=C1C 40161576 OOFXBPMGGHQEON-OAHLLOKOSA-N 318.373 2.155 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1c(O)cc(F)cc1F 81702387 NHDHPLBRNRSUNP-UKRRQHHQSA-N 305.280 2.059 0 40 DEAB COc1ccc(CCNc2ccc(C(N)=O)cc2N)cc1OC 225414056 XLNONYJGMMYNSC-UHFFFAOYSA-N 315.373 2.040 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 195571628 PQJFCZLNFCAKRI-MJBXVCDLSA-N 302.422 2.367 0 40 DEAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)s1 223562887 PJWXOWFFFVPYEQ-KBPBESRZSA-N 319.455 2.416 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCN(c2ccccn2)C1 130409263 NFBADFZUBMRCAB-CQSZACIVSA-N 314.389 2.014 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)CCOc1cccc(Cl)c1 40090244 IEPXJFCCLCDVSA-NSHDSACASA-N 312.797 2.140 0 40 DEAB CCc1ccccc1NC(=O)c1cc(N2CCOCC2)on1 224072934 QDYVVEASKLZILQ-UHFFFAOYSA-N 301.346 2.326 0 40 DEAB CC[n+]1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1 226773740 UXSNXHCELIIPBU-UHFFFAOYSA-N 300.289 2.179 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NCC(C)(C)C[C@H](C)O 96502233 RXWARPWEONYCPR-JTQLQIEISA-N 303.399 2.210 0 40 DEAB Cc1cccc([C@@H](O)[C@](C)(Br)S(C)(=O)=O)c1 96521292 DPAZTQXOWNZCHM-GHMZBOCLSA-N 307.209 2.184 0 40 DEAB COc1cc(CNS(=O)(=O)c2cnn(C(C)C)c2)ccc1C 96427780 DCTOJKKGLKUJNB-UHFFFAOYSA-N 323.418 2.260 0 40 DEAB CS[C@@H](C)CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 95401113 ASYLSVLPWHGDBJ-ZETCQYMHSA-N 320.336 2.300 0 40 DEAB c1cnc(NC[C@H]2CO[C@@]3(CCCN(CC4CC4)C3)C2)nc1 96075797 SESLLRUXPFAIIQ-RDJZCZTQSA-N 302.422 2.170 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCc2ccccc2[C@@H]1CO 97097605 MPAZSKAAKQNWGA-HNNXBMFYSA-N 304.777 2.410 0 40 DEAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccccn1)C2 96056845 KBUNJFBMDPOTIG-RDJZCZTQSA-N 304.390 2.129 0 40 DEAB C[C@]1(C(=O)NC[C@H]2CCCO2)CC(c2cccc(F)c2)=NO1 96192992 HAMBBCFZSJBGCH-CZUORRHYSA-N 306.337 2.004 0 40 DEAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(-n2cccn2)n1 96454465 AIVVBRXKHCDROK-CJNGLKHVSA-N 314.389 2.058 0 40 DEAB Fc1cccnc1O[C@H]1CSC2(C1)CN(C1CCOCC1)C2 247538565 RJJAJWGQDAYBEX-CYBMUJFWSA-N 324.421 2.338 0 40 DEAB CNCc1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2 257232303 GKGWBMCDERMOGG-UHFFFAOYSA-N 310.401 2.026 0 40 DEAB O[C@H]1CCN(C2CCOCC2)CC[C@@H]1Oc1ccccc1F 257295353 QXYNQHFJABMAKO-RDJZCZTQSA-N 309.381 2.209 0 40 DEAB CCOc1ccc(-n2nc(C(=O)O)c(N(CC)CC)n2)cc1 256046531 GLMCZUCVHLNODQ-UHFFFAOYSA-N 304.350 2.210 0 40 DEAB CCCS(=O)(=O)N1CCC[C@@H]1c1ccc(CN(C)C)cn1 257309447 UAZONGQGUKDGJL-OAHLLOKOSA-N 311.451 2.020 0 40 DEAB Cc1ncc2cnc([C@@H]3CCCN3C(=O)c3cccnc3)cn12 257220070 DJKDXBLRJIHDHT-INIZCTEOSA-N 307.357 2.410 0 40 DEAB O=C(NC1CCC1)c1cccn(Cc2ccccc2F)c1=O 257242231 IBPIWDLHMSPULN-UHFFFAOYSA-N 300.333 2.318 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3cncn3C)CC2)cn1 257208212 BLEJRFXCUHLBPM-AWEZNQCLSA-N 314.437 2.097 0 40 DEAB Cc1noc(C)c1-c1ccc([C@H]2CCCN2CCC(N)=O)nc1 257279013 OEPMMRSLTMVWDO-OAHLLOKOSA-N 314.389 2.366 0 40 DEAB CCCc1nnsc1C(=O)N1CCO[C@@H](c2ccncc2)C1 257236346 HBSZTMSEYQZNHF-CYBMUJFWSA-N 318.402 2.099 0 40 DEAB Cc1nn(C)cc1CCC(=O)NCCc1cc(F)cc(F)c1 70036785 LAZFNCYBZVEOPM-UHFFFAOYSA-N 307.344 2.298 0 40 DEAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCSCC1 67284644 HAWCKVUERBJMFP-UHFFFAOYSA-N 323.809 2.391 0 40 DEAB Cn1cc([C@](C)(O)CN[C@@H]2CCCc3cc(F)ccc32)cn1 97033360 VHVUXDXJKBVCRA-IAGOWNOFSA-N 303.381 2.434 0 40 DEAB O=C(Nc1cccc(NC(=O)c2ccc[nH]c2=O)c1)c1ccco1 11361460 GHZXZQNAENQTQL-UHFFFAOYSA-N 323.308 2.473 0 40 DEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)C1CCCC1 5314734 PWGLBVALDVATSV-UHFFFAOYSA-N 308.403 2.355 0 40 DEAB COc1ccc(C)c2sc(N3CCC(C(N)=O)CC3)nc12 1888863812 XCJOFXUAJNCPGA-UHFFFAOYSA-N 305.403 2.315 0 40 DEAB COc1ccc(Cn2cc(C(=O)NCc3ccccc3)nn2)cc1 1888941656 QJNTVOJHHNAXFV-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB CCCc1ccc(C(=O)N2CCN(c3cnsn3)CC2)cc1 1889149079 WLQAKAFUJXZRTM-UHFFFAOYSA-N 316.430 2.453 0 40 DEAB O=c1[nH]c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2[nH]1 13865751 WTFOEHIHAIWENO-UHFFFAOYSA-N 323.761 2.310 0 40 DEAB COC(=O)c1ccccc1NCc1cc(=O)n2ccsc2n1 30283453 YNBVPCURBJIKOH-UHFFFAOYSA-N 315.354 2.155 0 40 DEAB O=C1C[C@H](c2ccccc2)CN1S(=O)(=O)c1ccccc1 110244 AKKRFOUSRNAOTL-AWEZNQCLSA-N 301.367 2.391 0 40 DEAB CN(C)c1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1 23002452 FWSKOGLXILMHFY-UHFFFAOYSA-N 318.442 2.415 0 40 DEAB COc1cccc(N2C(=O)[C@@H]3N=NN(c4ccccc4)[C@H]3C2=O)c1 101261248 HTKJKSDXDYLSMD-HUUCEWRRSA-N 322.324 2.193 0 40 DEAB Cc1ccc(=O)n(CC2CCN(C(=O)OC(C)(C)C)CC2)n1 495733741 ITBPNMPLXFPESQ-UHFFFAOYSA-N 307.394 2.199 0 40 DEAB Cc1ccc(NC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc1Cl 10408576 BORWEEDDGMYYSD-UHFFFAOYSA-N 324.793 2.361 0 40 DEAB CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 10461625 GESDXLYUPVIPJG-UHFFFAOYSA-N 323.396 2.327 0 40 DEAB CCOC(=O)c1ccc(NCc2ccnc(N(C)C)c2)nc1 30001067 VZAMYPJTXYQKNI-UHFFFAOYSA-N 300.362 2.331 0 40 DEAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H](C(F)(F)F)C1 40486139 DXBMUZCBLDBHRO-SNVBAGLBSA-N 312.295 2.232 0 40 DEAB Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1-n1cnnn1 31996848 KSMNSSBRZOVYJZ-UHFFFAOYSA-N 322.372 2.289 0 40 DEAB CCSc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)s1 205009 BNSAWHKPOCOZKJ-HTQZYQBOSA-N 315.420 2.480 0 40 DEAB CC1(C)CN1C(=O)NCCCCCCNC(=O)N1CC1(C)C 1684948 UJBPLNVQLQZVTB-UHFFFAOYSA-N 310.442 2.154 0 40 DEAB CCOC(=O)[C@@](O)(CC(=O)c1ccc(OC)cc1)C(F)(F)F 2762247 HJQKNHDCMKNKED-ZDUSSCGKSA-N 320.263 2.125 0 40 DEAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(N)=O 6531322 CJGDHWFSTBUVNK-JTQLQIEISA-N 317.414 2.478 0 40 DEAB COc1ccccc1OS(=O)(=O)c1c(C)nn(C)c1Cl 32934636 DKDUNPZHZWFLSW-UHFFFAOYSA-N 316.766 2.158 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2nccs2)C1 172092225 WUEFHDVBGOJOLZ-GFCCVEGCSA-N 304.419 2.432 0 40 DEAB COc1ccc(CCN2CCO[C@H](Cn3cc(C)cn3)C2)cc1 69741051 GFXIAKFCWDXKPO-SFHVURJKSA-N 315.417 2.144 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1)c1nncn1C 46962095 PALUBHGPMRRVNS-DZGCQCFKSA-N 313.405 2.293 0 40 DEAB COc1ccc([C@@H](O)CNCc2cccc3c2OCCO3)cc1 54173657 GKHNXERXBFEPST-INIZCTEOSA-N 315.369 2.290 0 40 DEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H](C)C(C)C)c1 23148390 BYRLYGFYWJALDD-SECBINFHSA-N 319.810 2.449 0 40 DEAB C[C@H](OCc1ccccc1)C(=O)NCc1cccnc1N(C)C 43056828 WSTXXSHGQHIELN-AWEZNQCLSA-N 313.401 2.369 0 40 DEAB C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCNC1=O 24778507 JEOQUNSSWJAVQF-ZETCQYMHSA-N 303.145 2.313 0 40 DEAB CC(=O)NC(=S)Nc1ccccc1C(=O)N1CCCCC1 8555190 YUTWLSUZDKOJFP-UHFFFAOYSA-N 305.403 2.146 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cncnc2)s1 107251875 WPCXFMKTDBKAJT-LSDHHAIUSA-N 314.414 2.226 0 40 DEAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NC[C@H]1CCCO1 25427235 HYLJVBLMQHEFMQ-BUUCAEBMSA-N 301.795 2.409 0 40 DEAB CCOc1cc2c(cc1NC(=O)CCn1cncn1)O[C@H](C)C2 25579239 GUAIVVYHDICFNL-LLVKDONJSA-N 316.361 2.029 0 40 DEAB C[C@@H](SCc1nnnn1C1CC1)C(=O)N(C)c1ccccc1 56233219 OCXDOEBHBWSGAD-LLVKDONJSA-N 317.418 2.293 0 40 DEAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccncc2)C1 56499754 CZTFPNMDXFVFQE-CYBMUJFWSA-N 304.394 2.098 0 40 DEAB Cc1ccccc1C1(C(=O)NCCN2CCCC2)CCOCC1 57384073 KLONJYHLBPVCPR-UHFFFAOYSA-N 316.445 2.255 0 40 DEAB O=C(c1cn(-c2ccccc2Cl)nn1)N1CCSCC1 57511571 HGPGQLUIOLCMSE-UHFFFAOYSA-N 308.794 2.110 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)CCc2ccccc2)c1 10083208 USMHBBKMYXVGQT-UHFFFAOYSA-N 307.357 2.448 0 40 DEAB Cc1ccc(NC(=O)c2cccc(CS(N)(=O)=O)c2)cc1F 58166413 HXYIXBKQOAZOTE-UHFFFAOYSA-N 322.361 2.175 0 40 DEAB CCOCCN1CCN(CCOc2ccc(Cl)cc2)CC1 58144395 GUZFIFPDFUYFFD-UHFFFAOYSA-N 312.841 2.373 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)c1cc(Cl)c(Cl)n1C 48128798 SWGFSDGQTKJGAN-QMMMGPOBSA-N 301.177 2.347 0 40 DEAB C[C@H](O)CN(CC(=O)N1CCc2ccccc21)c1ccccc1 58416544 ZKWVDMQJUNPXBN-HNNXBMFYSA-N 310.397 2.463 0 40 DEAB COc1ccc(CN(C)CC(=O)Nc2nccs2)cc1F 48234772 SPCVGBCHICTDOM-UHFFFAOYSA-N 309.366 2.361 0 40 DEAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC(=O)N1 58925055 TVFIBRVTSQYLEM-OAGGEKHMSA-N 300.402 2.450 0 40 DEAB CC(C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 36694931 IPYYHXSRRYBPIU-OAHLLOKOSA-N 312.369 2.371 0 40 DEAB CCCOc1ccc(/C=C/C(=O)NCCCC(=O)O)cc1OC 62714543 BODNJEDSHBAPAG-VQHVLOKHSA-N 321.373 2.478 0 40 DEAB O=C(COc1ccccc1F)Nc1ccc2[nH]c(=O)[nH]c2c1 12930169 BMXKWGJCNVTCQW-UHFFFAOYSA-N 301.277 2.013 0 40 DEAB NC(=O)COc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 12917663 BQTOYOIOZRRNEJ-UHFFFAOYSA-N 306.268 2.081 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 68431735 CQUUHTSBAPRVMX-UONOGXRCSA-N 314.345 2.341 0 40 DEAB COC[C@@H](C)NC(=S)N[C@@H](C)c1ccc(-n2ccnc2)cc1 13069295 XSUHUXZVXRJSGV-OLZOCXBDSA-N 318.446 2.432 0 40 DEAB C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cn(C)cn1 69095709 PDNVPYVCVODPPC-VIFPVBQESA-N 315.345 2.080 0 40 DEAB COc1ccc2c(C(=O)CN3C[C@H](C)O[C@H](C)C3)c[nH]c2c1 13115605 CPLDFFPVDWBVMY-TXEJJXNPSA-N 302.374 2.468 0 40 DEAB CCN(C(=O)Cn1nnc(-c2cccs2)n1)C1=CCCC1 7985370 GSMRSPPCYNUQPU-UHFFFAOYSA-N 303.391 2.318 0 40 DEAB Cc1cc(NC(=O)NCC(=O)N2CCCc3ccccc32)ccn1 179827768 FODCUELNGZZRSS-UHFFFAOYSA-N 324.384 2.491 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCC[C@H]1Cn1cccn1 69948484 GHIGXKGNBMXXGC-LBPRGKRZSA-N 313.336 2.203 0 40 DEAB CN(C)C[C@@H]1CN(CCCc2nc3ccccc3o2)CCO1 69950697 GRAZIWOGGALLKY-CQSZACIVSA-N 303.406 2.023 0 40 DEAB CCCCn1nnc(NC(=O)COc2ccc(Cl)cc2C)n1 13942052 OAFZQFBYRHRYQK-UHFFFAOYSA-N 323.784 2.453 0 40 DEAB CC(C)CC(=O)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 6357813 WKQGSOSNTGPWGC-HNNXBMFYSA-N 309.431 2.248 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 70008084 RNJJNFADFTYVOP-HNNXBMFYSA-N 316.401 2.270 0 40 DEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N(CC1CC1)C1CC1 65490448 CCQSXSJRGNOUGY-UHFFFAOYSA-N 323.396 2.311 0 40 DEAB CCc1cc(C(=O)N2CCN(C[C@@H](O)CC)CC2)sc1C 70021736 SIGQUKMVZWIDDE-AWEZNQCLSA-N 310.463 2.148 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 5367465 XICJEGOSICPKKX-UHFFFAOYSA-N 312.325 2.441 0 40 DEAB CC(C)NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 14185656 DMFRTZVCOUXCMM-UHFFFAOYSA-N 319.430 2.252 0 40 DEAB COc1cccc(CNC(=O)CSc2nc(C3CC3)n[nH]2)c1 14805335 HBRKZJYEWZEPOJ-UHFFFAOYSA-N 318.402 2.099 0 40 DEAB COC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C 5924997 YYHFHZWHXMVIAV-UHFFFAOYSA-N 312.372 2.039 0 40 DEAB CN(C)[C@@H]1Cc2ccccc2N(S(=O)(=O)c2cccs2)C1 67244482 PQBBDJFPHDJSAV-CYBMUJFWSA-N 322.455 2.430 0 40 DEAB NC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 15479517 PYSWKKMMHHXBLK-LBPRGKRZSA-N 320.780 2.230 0 40 DEAB COc1nc(C)nc(NCc2ccc([S@](C)=O)cc2)c1C 97097186 QSOVBTDCIJZNMY-OAQYLSRUSA-N 305.403 2.452 0 40 DEAB CCOc1ccc(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)nn1 96007345 KMFXOAJDBFKUPY-ZDUSSCGKSA-N 320.437 2.252 0 40 DEAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1cccc(F)c1 76057044 MHCRWNOFJBASTJ-HUBLWGQQSA-N 314.426 2.146 0 40 DEAB O=C(CSCc1cccc2c1OCCO2)NCC(F)(F)F 96404260 GKQIUZFPJDRMLD-UHFFFAOYSA-N 321.320 2.370 0 40 DEAB CCCCc1ccc(C(=O)O[C@H](C)C(=O)N2CCNC2=O)cc1 9502101 TUMALIXMKNTHHX-GFCCVEGCSA-N 318.373 2.126 0 40 DEAB Cc1cnc(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cn1 71883041 DXLPBMHOYNOLGC-LBPRGKRZSA-N 318.327 2.072 0 40 DEAB O=C(C[C@@H]1OCCc2ccsc21)N[C@@H]1CCc2nccn2C1 72254865 CXBZSYVGFUMFAT-OLZOCXBDSA-N 317.414 2.080 0 40 DEAB Cc1n[nH]c([C@H]2CN(CCCOc3ccc(F)cc3)CCO2)n1 76048644 WJAXXWQBKOBPPY-OAHLLOKOSA-N 320.368 2.095 0 40 DEAB Cc1cccc(CCCOC(=O)c2cnc3c(c2)ncn3C)n1 97162342 WGVATVJGQOCEPR-UHFFFAOYSA-N 310.357 2.461 0 40 DEAB CC(=O)N1CC[C@@H](C(=O)NCC2(c3ccccc3)CCCC2)C1 72314048 PJLJHHXZKWVANX-MRXNPFEDSA-N 314.429 2.483 0 40 DEAB CC[C@H](NC(=O)N[C@@H](C)C[C@H](O)c1ccco1)c1noc(C)n1 95413576 XSXKSYIGOIDTFP-DLOVCJGASA-N 322.365 2.234 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1cccc(F)c1 95458948 KLHHFAZBWPRBPO-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)c(C)n1 95957947 OSCLNWRZJZTVJJ-ZDUSSCGKSA-N 313.405 2.158 0 40 DEAB Cc1cc(C)cc(CCC(=O)N2CCOC[C@H]2c2ncon2)c1 95995334 NSIWZMTZBRCMNY-HNNXBMFYSA-N 315.373 2.219 0 40 DEAB COCc1csc(NC(=O)NCCc2ccncc2C)n1 95974356 GBRUYVSXTFNERB-UHFFFAOYSA-N 306.391 2.357 0 40 DEAB Cc1nc(C)n(C[C@H]2CN(CCCc3ccccc3)CCO2)n1 75132135 OBTUXNCHJCBVDI-GOSISDBHSA-N 314.433 2.229 0 40 DEAB C[C@H](c1nc(Cc2ccccc2Cl)no1)S(C)(=O)=O 189284561 FGGVLBOTTNCGNH-MRVPVSSYSA-N 300.767 2.419 0 40 DEAB CC(C)(C)NC[C@H](CN1CCOCC1)C(=O)c1ccccc1 31771659 GXARQECPYTZJAV-MRXNPFEDSA-N 304.434 2.206 0 40 DEAB CC(C)(C)NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 32379429 CUNYSFNUHFQOAB-UHFFFAOYSA-N 302.418 2.382 0 40 DEAB Cc1cc(C)c(CNC(=O)CCOc2cccc(F)c2)c(=O)[nH]1 32426253 AQLRLMRYUBXTQR-UHFFFAOYSA-N 318.348 2.216 0 40 DEAB CCCn1nnnc1CN1CCC[C@@H]1COc1ccccc1 79090844 CLFIQDOSKGXNDG-CQSZACIVSA-N 301.394 2.127 0 40 DEAB CN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1Cc1cccs1 72239680 NOQPKJAPQZTDHE-AWEZNQCLSA-N 318.398 2.491 0 40 DEAB O=C(NC[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 44456486 SSNJWJAOBBDOGC-QMMMGPOBSA-N 322.213 2.158 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@@H]3CCO[C@@H]3C)CC2)nc1 195559214 WYICHCBUIBEQHS-UKRRQHHQSA-N 304.390 2.185 0 40 DEAB Cc1cc(NC(=O)[C@]2(C)Sc3ccccc3NC2=O)no1 40804344 DSFLWQVGXMHWFN-CQSZACIVSA-N 303.343 2.425 0 40 DEAB CCc1ncnc(N2CC[C@@H](c3nc(C4CC4)no3)C2)c1F 569269422 ZOCXDBWKPZHVPD-SNVBAGLBSA-N 303.341 2.432 0 40 DEAB O=C(NCCc1cccs1)c1cc(N2CCCC2)ncn1 225536881 IUMUHNPLZRVOAI-UHFFFAOYSA-N 302.403 2.111 0 40 DEAB Cc1ccc(C)c(CS(=O)(=O)NC(=O)c2cscn2)c1 195580524 IOFPKRKMNIYZGK-UHFFFAOYSA-N 310.400 2.020 0 40 DEAB C[C@H](C(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1cnn(C)c1 572317720 ISCSZARMSGNDNP-ZDUSSCGKSA-N 321.384 2.252 0 40 DEAB CN(Cc1ccco1)C(=O)NCC[S@@](=O)Cc1ccccc1 96408928 SLXXGFGJISWEFU-QFIPXVFZSA-N 320.414 2.370 0 40 DEAB Cn1ncc2c1[C@@H](COCC1CC1)CN(C(=O)c1ccco1)C2 96198279 FCDMEZQEHALIEP-CQSZACIVSA-N 315.373 2.179 0 40 DEAB Cc1ncc(CN2CC[C@H](NC(=O)c3ccc[nH]3)[C@H](C)C2)s1 96419303 OPCZXMNOTIFGFJ-RISCZKNCSA-N 318.446 2.420 0 40 DEAB CCc1noc(CN2CC[C@H](CNc3cccc(C)n3)C2)n1 97200923 JOMWVOKCUOUTQH-CYBMUJFWSA-N 301.394 2.269 0 40 DEAB O=C(OCCOc1ccccc1F)[C@H]1CCc2cn[nH]c2C1 96442300 CKVCIJNIBIBIAO-NSHDSACASA-N 304.321 2.276 0 40 DEAB Cc1oncc1C(=O)N1CCC2(CC1)CCN(CC(C)C)C2=O 96062930 QVTUCNUAKKSOER-UHFFFAOYSA-N 319.405 2.094 0 40 DEAB CN(C)c1ccncc1CNC[C@@]1(O)CCCc2ccccc21 96502942 NAAGNBPWJITHCT-IBGZPJMESA-N 311.429 2.461 0 40 DEAB C[C@H]1CN(C[C@H](O)COCC[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 252504458 BTWIPZIBMYFMPI-COZGXFGHSA-N 311.466 2.299 0 40 DEAB CNc1cc(C)nc([C@H]2CN(Cc3cc(C)on3)CCO2)c1 257252350 JUNFWLYAIUSMRJ-MRXNPFEDSA-N 302.378 2.302 0 40 DEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)cnn1C(C)C 262871697 GDZPRTGXWYBEDM-OBJOEFQTSA-N 305.378 2.098 0 40 DEAB O=C(c1ccoc1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 390831984 WLGYLLFHNSHJDC-OAHLLOKOSA-N 319.382 2.282 0 40 DEAB CC(C)C(=O)N1Cc2cccn2C[C@H](Oc2ncccc2F)C1 575404769 DKTBVYKDBJIQJA-AWEZNQCLSA-N 317.364 2.468 0 40 DEAB Cn1cc([C@@H]2CN(C(=O)[C@H]3CCCO3)Cc3ccccc32)cn1 575609270 TYIUDSJYQCAACT-DLBZAZTESA-N 311.385 2.073 0 40 DEAB O=C(CCc1ccco1)N1CCC(c2nnc3n2CCC3)CC1 47289090 AZOCDBWTCFKVIT-UHFFFAOYSA-N 314.389 2.156 0 40 DEAB CCN(CC)c1ccc(NC(=O)N[C@@H](C)Cn2ccnc2)cn1 48172988 VFTPMZNXWVMNRJ-ZDUSSCGKSA-N 316.409 2.335 0 40 DEAB CC1(C)COCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 58306155 JAJKWHMZNLCIIC-MRXNPFEDSA-N 319.401 2.495 0 40 DEAB Cc1nnc(CN2CCC(COc3ncnc(C)c3C)CC2)o1 1565520840 UJFLIATXBHDNDW-UHFFFAOYSA-N 317.393 2.076 0 40 DEAB CCN(Cc1ccoc1)C(=O)C1CN(C(=O)OC(C)(C)C)C1 96010466 MRNHAYIBNTXIMW-UHFFFAOYSA-N 308.378 2.495 0 40 DEAB CCS(=O)(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 585259474 RAERNRAQSXEVBE-AWEZNQCLSA-N 311.428 2.269 0 40 DEAB Cc1nn(C)cc1CN(C)C(=O)c1ccc(Br)o1 2767390 FNBSHXOAGJHQAM-UHFFFAOYSA-N 312.167 2.356 0 40 DEAB O=C1N[C@]2(CCc3ccccc31)CCN(C(=O)c1ccncc1)C2 19375216 KSWJWZVLOIOWAS-LJQANCHMSA-N 321.380 2.043 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 169354857 HQEHIMYMQAMNDY-FKGLVLAHSA-N 311.337 2.175 0 40 DEAB FC(F)(F)c1ccc(N2CCN(c3ccncn3)CC2)nc1 1150785564 RLQDRZVUIWTHRF-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB O=C(CCNC(=O)c1ccoc1)NCc1ccc(Cl)cc1 32633559 ZZJAYXROSSRJAB-UHFFFAOYSA-N 306.749 2.369 0 40 DEAB CC(C)S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 38583504 QQPIVANLPQIYTA-UHFFFAOYSA-N 310.463 2.226 0 40 DEAB Cc1cc2ncc(NC(=O)COc3ccccc3F)cn2n1 206736723 QMRWCNPOAIOPSJ-UHFFFAOYSA-N 300.293 2.194 0 40 DEAB O=C(Cc1ccsc1)NCc1ccnc(N2CCCC2=O)c1 575620424 TZJCIHCTLIGCQF-UHFFFAOYSA-N 315.398 2.129 0 40 DEAB Cc1cnc(C(=O)NCc2ccc(N3CCCCC3)nc2)cn1 40118880 QINXGVSSSSDZFV-UHFFFAOYSA-N 311.389 2.100 0 40 DEAB O=C(NCc1cccs1)N[C@H]1CCCN(c2ncccn2)C1 40549176 NEYPYOYIYTXYHW-LBPRGKRZSA-N 317.418 2.006 0 40 DEAB Cc1cccc(CN2N=N[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]32)c1 101167585 IVSYLHPMOQHMOO-JKSUJKDBSA-N 320.352 2.488 0 40 DEAB CC(C)(O)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 2585551 FOINLJRVEBYARJ-NSHDSACASA-N 304.298 2.050 0 40 DEAB endogenous,in-man CN(C)[C@H](C(=O)N1CCC[C@@H](n2ccnc2)C1)c1ccccc1 69706789 BYCYVZSPWNBQQY-SJORKVTESA-N 312.417 2.350 0 40 DEAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1 1328736 OSCFKQNKZJSGKK-GFCCVEGCSA-N 315.369 2.453 0 40 DEAB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 2616787 LVDQNAYLBCCBDC-KRWDZBQOSA-N 311.341 2.055 0 40 DEAB O=C(NCCCCN1CCC[C@@H]1CO)Nc1ccc(F)cc1 69708794 XEJHQNJTCMKGPI-OAHLLOKOSA-N 309.385 2.184 0 40 DEAB Cc1ccccc1OCC(=O)O[C@@H](C)C(=O)NC1CCCC1 7601319 BZXFIQLDGMDBEC-ZDUSSCGKSA-N 305.374 2.364 0 40 DEAB CC[C@]1(C)NNC2=C(C=CC3=NN[C@@](C)(CC)N32)n2cccc21 103982845 PDUKIRLVLWWWDE-DLBZAZTESA-N 312.421 2.262 0 40 DEAB Cc1ccc(OCc2ccc(C(=O)N[C@@H](C)C(N)=O)o2)c(C)c1 52986643 QZTCIIYAYTYROB-LBPRGKRZSA-N 316.357 2.079 0 40 DEAB Cc1noc(C)c1CN(C)S(=O)(=O)c1cc(F)ccc1F 46813606 AQGLCDSZUZXRDZ-UHFFFAOYSA-N 316.329 2.390 0 40 DEAB CCN(CC)C(=O)c1nnc2sc(-c3ccccc3)nn12 57354690 IIYKRTCAKFSXDD-UHFFFAOYSA-N 301.375 2.335 0 40 DEAB C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CCO1 43136474 XZOFFMQPXFDDCG-CABCVRRESA-N 321.421 2.237 0 40 DEAB CC(C)(C)NS(=O)(=O)c1cc(NC(=O)C2CC2)ccc1F 76921321 HXMTYYHURNQPIP-UHFFFAOYSA-N 314.382 2.251 0 40 DEAB Cc1noc(COC(=O)c2ccn(-c3c(F)cccc3F)n2)n1 78431177 YSMJPXBDEHMDIF-UHFFFAOYSA-N 320.255 2.199 0 40 DEAB CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C 2029955 YGCVWHXOJQAHFZ-UHFFFAOYSA-N 324.450 2.362 0 40 DEAB Cn1ccnc1[C@@](O)(CC(=O)Nc1ccccc1)C(F)(F)F 44896000 KIMFDXZSAKGJNZ-ZDUSSCGKSA-N 313.279 2.199 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)CCN1CCSC1=O 44942535 NBGHOVFULRIBRA-UHFFFAOYSA-N 322.430 2.357 0 40 DEAB O=C(COC(=O)COc1ccccc1)Nc1ccc(F)cc1 3368060 JSBPNUIOPHODFR-UHFFFAOYSA-N 303.289 2.386 0 40 DEAB Cc1nc(-c2ccc(CCN3C(=O)CNC3=O)cc2)cs1 48326432 MIDGENYWRKWXSI-UHFFFAOYSA-N 301.371 2.213 0 40 DEAB O=C(COC(=O)c1cccnc1Cl)NCCc1ccccc1 3620350 LLUYHBDNYVAMHZ-UHFFFAOYSA-N 318.760 2.251 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 69489638 ALSHSQZXEMQYNU-SJORKVTESA-N 318.417 2.403 0 40 DEAB O=C(NC[C@H](c1cccc(Cl)c1)N1CCOCC1)NC1CC1 69594452 SQMUSBFKOFXGDT-OAHLLOKOSA-N 323.824 2.175 0 40 DEAB Cc1ccc2nc(CSc3nnc(C)s3)cc(=O)n2c1 5053985 CXZREUHYESJNBC-UHFFFAOYSA-N 304.400 2.455 0 40 DEAB COC(=O)[C@H](CNC(=O)Nc1ccncc1)c1cccc(C)c1 69669113 CPPQOSXIMLRELD-OAHLLOKOSA-N 313.357 2.468 0 40 DEAB Cc1noc([C@@H]2CCCN(Cc3nc(C(C)(C)C)no3)C2)n1 65474665 PYNIIGCZEQYBBE-LLVKDONJSA-N 305.382 2.438 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H]2CCCCC2=O)c1C 5326465 BPJCBYNPXHTYOF-LBPRGKRZSA-N 307.346 2.477 0 40 DEAB CC(C)CCN(C(=O)CNC(=O)NCc1ccco1)C1CC1 65610993 FRASXYLPAJPWTG-UHFFFAOYSA-N 307.394 2.116 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69951508 MAPGRIASBAPKIN-MSOLQXFVSA-N 314.429 2.221 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(C)no1 6852319 DYQCRACCQYMFHE-JTQLQIEISA-N 304.302 2.176 0 40 DEAB COC(=O)c1ccc(NC(=O)NCc2cc(C)on2)c(C)c1 67566775 QKFJDIPHFIOXER-UHFFFAOYSA-N 303.318 2.400 0 40 DEAB C[C@H](OC(=O)c1ccc(-n2cnc3ccccc32)cc1)C(N)=O 7225816 OCXGNNRUKSVMST-NSHDSACASA-N 309.325 2.056 0 40 DEAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(F)cc1N 7374348 VTVSSSNIEZSFAT-UHFFFAOYSA-N 316.332 2.223 0 40 DEAB C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@@H]1CCc2[nH]ncc2C1 90455092 WCYNTWKPSFMLOG-IAQYHMDHSA-N 316.380 2.413 0 40 DEAB CO[C@]1(C)C[C@H](N[C@@H]2CCCC[C@@H]2S(C)(=O)=O)C1(C)C 97033377 UNMWEGBAUOAWSP-UKTARXLSSA-N 303.468 2.135 0 40 DEAB C[C@@H]1CS(=O)(=O)CCN1C(=O)NCCCCC(C)(C)C 96417718 FRHBCKFGJOHMOM-GFCCVEGCSA-N 304.456 2.031 0 40 DEAB CCc1cnc(CCNC(=O)Nc2nnc3ccccn23)s1 96434687 TUUUSWZQUFRBAM-UHFFFAOYSA-N 316.390 2.112 0 40 DEAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccccc1 28283868 CNVMJPRBVBVLHN-CHWSQXEVSA-N 318.398 2.423 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72235216 QHCYYRHZNBZXSP-CQSZACIVSA-N 319.434 2.066 0 40 DEAB CCOc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 71829470 ISAMURLNPHLTLG-ZFWWWQNUSA-N 318.417 2.130 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1n[nH]c2ccccc12 71870414 DEVDELGKFXSWCX-IRXDYDNUSA-N 312.417 2.191 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccco2)CC1 71835175 JPRXLTLJUQTVCN-HUUCEWRRSA-N 300.358 2.321 0 40 DEAB CC(C)c1csc([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 72297233 WXLAYTDWQYDDKV-VXGBXAGGSA-N 321.446 2.251 0 40 DEAB COc1ccc(OC(=O)[C@@H](C)S(C)(=O)=O)c(C(C)(C)C)c1 71903308 FUUYZMUWXJRZIS-SNVBAGLBSA-N 314.403 2.331 0 40 DEAB CN(CC(C)(C)O)C(=O)Nc1ccc(OCC(F)(F)F)nc1 72313572 HCYYANLUTZUYBO-UHFFFAOYSA-N 321.299 2.257 0 40 DEAB CC(C)n1cccc1C(=O)N[C@@H](C(N)=O)c1ccc(F)cc1 97380146 XISVPQQHHNCCEA-CQSZACIVSA-N 303.337 2.165 0 40 DEAB C[C@@H]1C[C@H](NCCc2cc(F)cc3c2OCOC3)CN1C1CC1 79073648 IPTGHYXYGVCAFM-WBMJQRKESA-N 320.408 2.450 0 40 DEAB CN[C@H]1CCCN(C(=O)Cc2ccccc2Br)C1 84748033 RUILVXFVTIBWCH-LBPRGKRZSA-N 311.223 2.202 0 40 DEAB COc1ccc(CCCCNC(=O)N2CCC[C@H](O)C2)cc1 84906801 VMBOAJJNYGULEF-HNNXBMFYSA-N 306.406 2.184 0 40 DEAB C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccc2c(c1)CCO2 95962446 KWAHKBQZJVXAQH-GFCCVEGCSA-N 306.406 2.218 0 40 DEAB CN1CCO[C@@H](CN(C(=O)[C@H]2CC=CCC2)c2nccs2)C1 95961612 ODASYOOTTIKZMN-UONOGXRCSA-N 321.446 2.163 0 40 DEAB CCN(CC(=O)N1CCC(Cn2nc(C)cc2C)CC1)C1CC1 95978831 FDZSBKOVHGLPIK-UHFFFAOYSA-N 318.465 2.223 0 40 DEAB CCOc1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1 21157272 CWCNYWZWUIIVFB-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 409149120 XROVBXMFGKHMPM-UKTHLTGXSA-N 321.354 2.141 0 40 DEAB CCCCCN(CCO)C(=O)C(=O)Nc1ccc(F)cc1C 79028984 AQYZBWIXHYCAEN-UHFFFAOYSA-N 310.369 2.084 0 40 DEAB COc1cc(CCNC(=O)c2c(C)nn3cccnc23)ccc1C 78145157 XYLXWOMXJDSMPA-UHFFFAOYSA-N 324.384 2.327 0 40 DEAB O=C(NC[C@H]1CCOC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 42060050 RTQYJJCJFVFPEC-SNVBAGLBSA-N 305.765 2.496 0 40 DEAB O=C(O)[C@@H](CNC(=O)[C@@H]1CCc2cc(F)ccc21)CC1CC1 563448979 DJAYSYFJCUTAKO-IUODEOHRSA-N 305.349 2.473 0 40 DEAB O=C(NC[C@@H](O)C1CCCCC1)Nc1ccc2c(c1)OCO2 70636822 SWSVHTLKBQLAKB-CYBMUJFWSA-N 306.362 2.478 0 40 DEAB CCCCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 216481459 FFHVJPNAZUSGQN-UHFFFAOYSA-N 304.799 2.241 0 40 DEAB Cc1cccc(C)c1C(=O)NCC(C)(C)CCS(C)(=O)=O 74956454 VZEGIOWYTNTZLD-UHFFFAOYSA-N 311.447 2.494 0 40 DEAB O=C(O)[C@@H](c1ccccc1)n1c(S)nc2ccccc2c1=O 675008352 UDJVTSQFYDZTNS-CYBMUJFWSA-N 312.350 2.359 0 40 DEAB Cc1nonc1C(=O)Nc1ccn(Cc2ccc(F)cc2)n1 72264857 FBMILSDCELXEKD-UHFFFAOYSA-N 301.281 2.014 0 40 DEAB CN(Cc1ccccc1)C(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 72270591 CTURMVKLBYLHRJ-MRXNPFEDSA-N 312.417 2.248 0 40 DEAB O=S(=O)(NC[C@]1(O)C=CCCC1)c1ccc2c(c1)CCCC2 606440467 XHIRMGFINGRRSX-KRWDZBQOSA-N 321.442 2.315 0 40 DEAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc(N)c2)cc1 225399103 DZWPRRCOMDUGQJ-GFCCVEGCSA-N 300.358 2.361 0 40 DEAB O[C@@H]1C[C@@H](CN[C@@H]2CCCSC2)N(Cc2ccccc2)C1 195558717 WJPJSWDUIBNVOU-IXDOHACOSA-N 306.475 2.107 0 40 DEAB CCOC(=O)Cn1ccc(=O)c2cc(Br)ccc21 40175601 BFQSZMTWERQBGZ-UHFFFAOYSA-N 310.147 2.327 0 40 DEAB COC(=O)CCN(C)C(=O)c1ccc(-c2cscn2)cc1 88295149 VJWCTCRAFJEXPS-UHFFFAOYSA-N 304.371 2.445 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)NC[C@](C)(O)c1ccccc1Cl 96503179 HUDRPUQELBNPFL-XEGUGMAKSA-N 312.797 2.024 0 40 DEAB CC(C)[C@@H](NS(=O)(=O)CC[C@H]1CCCO1)c1ccccn1 96472676 HMWNOCHWDXAINU-UKRRQHHQSA-N 312.435 2.267 0 40 DEAB C[C@]1(C(=O)NC[C@@H]2CCCO2)CC(c2cccc(F)c2)=NO1 96192990 HAMBBCFZSJBGCH-XJKSGUPXSA-N 306.337 2.004 0 40 DEAB Cc1cc(CNC(=O)CSc2nnc(S)s2)c(C)o1 96446789 RIQBGLXPTRMSHN-UHFFFAOYSA-N 315.445 2.445 0 40 DEAB CC(C)[C@H](NC(=O)c1cnn(CCF)c1)C1(CO)CCCC1 577506964 MDQUFLDVNTXDQA-AWEZNQCLSA-N 311.401 2.160 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2C(=O)CCn2cncn2)c1 96410178 WRXWDRZOBLJWJQ-MRXNPFEDSA-N 313.405 2.098 0 40 DEAB CC(C)Nc1ccnc([C@@H]2COCCN2CC2CCOCC2)n1 96220518 HXYZHLLIGXYLNW-HNNXBMFYSA-N 320.437 2.097 0 40 DEAB CC(C)CN1CCC2(CCN(C(=O)c3ccoc3)CC2)C1=O 96046775 BXWQOQTUXDGVIY-UHFFFAOYSA-N 304.390 2.390 0 40 DEAB COC[C@H]1COCCC12CCN(C(=O)c1cncc(C)c1)CC2 96106278 SQLAFHZQIWYSJQ-INIZCTEOSA-N 318.417 2.295 0 40 DEAB COC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cncn2C1 96206767 PSEFJMIOKMEYFK-MUBLQREKSA-N 317.414 2.263 0 40 DEAB COC[C@@H]1CC2(CCN(Cc3ccc4c(c3)OCO4)CC2)CO1 96105756 XGXQWJWPKLNGNR-HNNXBMFYSA-N 319.401 2.433 0 40 DEAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 245231481 DMSSBLFWFTUXFM-KBCNZALWSA-N 307.349 2.447 0 40 DEAB O=C(Cc1ccsc1)NCc1ccnc([C@@H]2CCCOC2)n1 257209973 BSPUGMPHJKKPQH-CYBMUJFWSA-N 317.414 2.291 0 40 DEAB Cc1cc2nc([C@H]3CCCCN3C(=O)c3ccnn3C)ccn2n1 257268772 MNCUMOASWICMMH-CQSZACIVSA-N 324.388 2.139 0 40 DEAB O=C(COc1cccnc1)N1CCC[C@@H](Cc2cccnc2)C1 257330214 XNKDFGFVZAEKLG-INIZCTEOSA-N 311.385 2.337 0 40 DEAB Cn1ccc([C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)n1 390828178 AFJUACSNGAOOFI-CYBMUJFWSA-N 321.384 2.383 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc(=O)ccn2C2CC2)C1 69899037 VGUMOVRVMIVHEN-TXEJJXNPSA-N 321.446 2.175 0 40 DEAB COc1c([C@H]2CCCN2[C@@H](C)c2nc(C)no2)c(C)nn1C 72253740 HZSJYYMIXJTGHN-CMPLNLGQSA-N 305.382 2.327 0 40 DEAB O=C(c1csc(Cc2ccc(F)cc2)n1)N1CCC[C@@H]1CO 153937373 WJMQYKBYAUMTGJ-CYBMUJFWSA-N 320.389 2.470 0 40 DEAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccccn2)C1=O 6327901 YKDAZHFELJYVKQ-XFFZJAGNSA-N 306.343 2.070 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 1848354178 SSRGIDXFUIGEGU-IXDOHACOSA-N 309.417 2.218 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)N1CCc2oncc2C1 238956470 XZTZPKVPNTXQRR-UHFFFAOYSA-N 312.778 2.216 0 40 DEAB COc1cccc(NC(=O)N2c3ccccc3C[C@@H]2C(N)=O)c1 9823299 SFBWRSGZEHGZSB-OAHLLOKOSA-N 311.341 2.144 0 40 DEAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)CCO4)cc12 30371333 KWNFBIOFJQPKOT-UHFFFAOYSA-N 308.341 2.464 0 40 DEAB O=C(Nc1cccnc1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20745138 NZNRYVMFYAJNEK-UHFFFAOYSA-N 307.309 2.092 0 40 DEAB COc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1OC 8111658 SLUXYSWNHYZPOF-UHFFFAOYSA-N 315.325 2.363 0 40 DEAB CCOC(=O)c1c(C)n(CCNC(C)=O)c2ccc(OC)cc12 36606 JWVVRSOLJNFFAH-UHFFFAOYSA-N 318.373 2.271 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](C1CCCCC1)N(C)C 45831164 XIUYOUAVGVNIEB-ZDUSSCGKSA-N 310.467 2.341 0 40 DEAB CC(C)(C)NC(=O)CSc1nncn1NCc1ccccc1 359928 HTYMZKCBFICSDS-UHFFFAOYSA-N 319.434 2.029 0 40 DEAB O=C(CN1CCC[C@H](O)C1)Nc1ccc(C(F)(F)F)cc1 32652166 QXGFQTVBFXCOPR-LBPRGKRZSA-N 302.296 2.101 0 40 DEAB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 4111803 SLSURLHBKRZMFX-CRWXNKLISA-N 309.321 2.086 0 40 DEAB CN(C)[C@@H](CNC(=O)c1cnn(C)c1)c1ccccc1Cl 21556878 MOLYHKVYQHJGOO-AWEZNQCLSA-N 306.797 2.106 0 40 DEAB CCN(CC(=O)NC(=O)NC1CCCC1)Cc1ccccc1 7437481 WLMISUPFOYUTMZ-UHFFFAOYSA-N 303.406 2.277 0 40 DEAB COc1ccc2oc(C(=O)NCC(=O)NC(C)(C)C)c(C)c2c1 7449208 KIABUIVIJPHHOI-UHFFFAOYSA-N 318.373 2.394 0 40 DEAB C/C(=C\[C@H](C)[C@H](C)O)CC[C@@H](O)Cc1cc(O)c(C)c(=O)o1 108227212 RIQJTEDKQNLJJQ-LOMLJWIHSA-N 310.390 2.301 0 40 DEAB biogenic,in-vitro COC(=O)c1ccc(COC(=O)c2cc(C(C)=O)c[nH]2)cc1 8258315 FKSVBSXYBVRYIN-UHFFFAOYSA-N 301.298 2.361 0 40 DEAB O=C(COc1ccccc1)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1 107265586 KKYGCSMDZIVCGO-HFTRVMKXSA-N 301.386 2.481 0 40 DEAB CSCC[C@@H]1NC(=O)N(CCOc2cc(C)ccc2C)C1=O 32910603 ZBDPROYZAVFJQW-ZDUSSCGKSA-N 322.430 2.356 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C)ccn1 60657682 KLHYDDYWCUTCMB-INIZCTEOSA-N 309.369 2.302 0 40 DEAB O=C(NCCc1ccsc1)c1ccc(N2CCNC2=O)cc1 46645106 ABNYNNZHMZOZNB-UHFFFAOYSA-N 315.398 2.250 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)N(C)CCCCc1ccccc1 53079390 IEDVBCXLBUUVNQ-CQSZACIVSA-N 305.422 2.175 0 40 DEAB CNC(=O)CN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 53625421 MSSURRAVTXGSSW-UHFFFAOYSA-N 316.382 2.126 0 40 DEAB COc1ccc(-c2noc(C(=O)NC3CCCC3)n2)cc1OC 12389627 NVYDJZMZRBYJEH-UHFFFAOYSA-N 317.345 2.426 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1 57710645 UTTXCVWQZVYQRZ-UHFFFAOYSA-N 311.388 2.211 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1ccc(Cl)cc1 102596163 ZBOPIVKFAMBBNH-XCCSTKFXSA-N 305.761 2.479 0 40 DEAB O=C(Nc1nncs1)N1CCN(Cc2ccccc2F)CC1 43137014 QSHPGMVMTGFDFX-UHFFFAOYSA-N 321.381 2.027 0 40 DEAB COC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1N 1394932 NZPPYVPRGGITKZ-UHFFFAOYSA-N 302.721 2.419 0 40 DEAB C[C@H](CNC(=O)[C@@H](C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 25411167 WYWRSQFEKYSKCP-KLHDSHLOSA-N 304.434 2.404 0 40 DEAB NC(=O)[C@@H](c1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1 106783826 IRXOHHDIYYPKFV-HZPDHXFCSA-N 316.380 2.103 0 40 DEAB CN(CC(=O)N(C)C)Cc1csc(-c2ccc(F)cc2)n1 44871761 NNORODWSVQOZKW-UHFFFAOYSA-N 307.394 2.469 0 40 DEAB CC(=O)NCCC(=O)NCC1(c2c(F)cccc2F)CCCC1 58218959 LTUKBTCPZUMYJB-UHFFFAOYSA-N 324.371 2.419 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 10505596 BRVYEICBQNRBPH-INIZCTEOSA-N 322.405 2.407 0 40 DEAB C[C@@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 45262354 KLTVTSIJRZHWSW-WDEREUQCSA-N 310.344 2.353 0 40 DEAB CNC(=O)c1ccc(NC(=O)CNc2ccccc2F)cc1 11127244 NGGXPLPVMJHZQY-UHFFFAOYSA-N 301.321 2.236 0 40 DEAB CCCn1nccc1CNC(=O)c1cc(C)nc2onc(C)c12 36617354 SORJVRGBOOTSCM-UHFFFAOYSA-N 313.361 2.376 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)Nc1nnc2ccccn12 48361963 OJDOGHADVPHKSD-UHFFFAOYSA-N 318.340 2.096 0 40 DEAB O=c1c(Cl)c(Cl)cnn1CN1CCO[C@H]2CCCC[C@@H]21 48621680 VJCWIBYWKPRYEO-QWRGUYRKSA-N 318.204 2.151 0 40 DEAB COc1ccc(OCC(=O)N2CCN=C2c2ccccc2)cc1 13563903 QIWCJEURIQODHY-UHFFFAOYSA-N 310.353 2.363 0 40 DEAB Cc1nc(CC(=O)Nc2ccc(Cn3cncn3)cc2)cs1 13690913 WIHKTIYMTXRQLX-UHFFFAOYSA-N 313.386 2.273 0 40 DEAB S=C(NC1CC1)N1CCN(c2nsc3ccccc23)CC1 13685994 UCADMMWXSMEXGU-UHFFFAOYSA-N 318.471 2.455 0 40 DEAB CC(C)OCCCN[C@H](C)C(=O)Nc1ccc2c(c1)OCCO2 6085922 UPLDGUMYVOCTNU-CYBMUJFWSA-N 322.405 2.190 0 40 DEAB Cc1nc(NC(=O)CN2CCC[C@H]2c2cnn(C)c2)sc1C 69968266 HWKBNUWOAQGSIF-ZDUSSCGKSA-N 319.434 2.269 0 40 DEAB CC(=O)Nc1ccc(CC(=O)OCCOc2cccnc2)cc1 69951813 MDLVTFPDKMAYPQ-UHFFFAOYSA-N 314.341 2.205 0 40 DEAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1nccs1 4731549 DWEACDMAKFEUGH-UHFFFAOYSA-N 310.400 2.087 0 40 DEAB COc1ccccc1CCC(=O)NCc1c(C)cc(C)[nH]c1=O 7118287 CPHFPKPTLMUYHN-UHFFFAOYSA-N 314.385 2.249 0 40 DEAB CCCc1nc(C)cc(N2CC[C@@]3(CCCN(C)C3=O)C2)n1 67674143 SIKXGIJIRPYYPA-KRWDZBQOSA-N 302.422 2.186 0 40 DEAB Cc1csc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n1 8909655 QGASQGRLEMNODC-UHFFFAOYSA-N 315.354 2.357 0 40 DEAB FC(F)CN1CCCN(Cc2nnc(C3CCC3)o2)CC1 91082761 IVAUCIIYMCHNQE-UHFFFAOYSA-N 300.353 2.110 0 40 DEAB O=C(CN1CCCCC1=O)Nc1cc(C(F)(F)F)ccc1O 81458569 JEWSOWGPNZVCIN-UHFFFAOYSA-N 316.279 2.362 0 40 DEAB Cc1cc(C(=O)OCC(=O)NC2CC2)c(C)n1Cc1ccco1 16695835 IHHWHETWIMFCIQ-UHFFFAOYSA-N 316.357 2.182 0 40 DEAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)C1CCC(F)(F)CC1 96010209 AYHCUWKWVALZLN-UHFFFAOYSA-N 309.316 2.298 0 40 DEAB Cc1cccnc1N[C@@]1(C(F)(F)F)N=C2SCCN2C1=O 19857387 WMVAZXKYNQWDAK-LLVKDONJSA-N 316.308 2.006 0 40 DEAB CSc1cc2c(cc1NC(=O)NC[C@@H]1CCCO1)OCCO2 71853995 NHXFVNWESVDCOM-JTQLQIEISA-N 324.402 2.480 0 40 DEAB CCCc1n[nH]c([C@H]2CN(CCNC3CCCCC3)CCO2)n1 76049591 BGFRGEBHWLAFLL-OAHLLOKOSA-N 321.469 2.053 0 40 DEAB Cc1ccc(-c2nc(C)sc2CC(=O)NCCCO)cc1 97175998 ARPXPLAXPDJKFP-UHFFFAOYSA-N 304.415 2.468 0 40 DEAB CC(C)c1cc(C(=O)N2CCOC[C@H]2c2cccn2C)n[nH]1 97144006 BPLGWRBHKMEAAX-HNNXBMFYSA-N 302.378 2.085 0 40 DEAB Cn1cc(C(N)=O)cc1C(=O)Oc1ccc(C(F)(F)F)cc1 84314415 XBLJEAGKLJGMOH-UHFFFAOYSA-N 312.247 2.362 0 40 DEAB COc1cc(C(=O)N[C@@H]2CN(C(=O)Cn3ncnn3)C[C@@H]2O)nn1C 97380106 BDUCLPWMOSWIEI-UHFFFAOYSA-N 350.339 -2.583 0 40 DEAB COC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 24350132 LIYPPMIGBJMPND-UHFFFAOYSA-N 317.366 2.225 0 40 DEAB CC1(C)COC2(CCN(C(=O)CCc3nccs3)CC2)OC1 84673723 YSCHILDJIWFQLN-UHFFFAOYSA-N 324.446 2.467 0 40 DEAB CC(C)c1cc(C(=O)N(C)c2cccnc2N(C)C)nn1C 84622467 XQAIPKCQEOCENP-UHFFFAOYSA-N 301.394 2.281 0 40 DEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@@H](C)[C@@H](O)C1 95454207 FSCNXBDFYQVDTA-BMIGLBTASA-N 319.792 2.287 0 40 DEAB CC[C@H](C)n1nccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 95446401 ROKPOGWPGQCFDU-WDEREUQCSA-N 309.414 2.279 0 40 DEAB O=C(C[C@H]1COCCN1C(=O)c1cc(Cl)c[nH]1)c1ccco1 95439931 NZQWCIBULNPAEQ-NSHDSACASA-N 322.748 2.375 0 40 DEAB Cc1cc(NC(C)(C)C(C)(C)O)n2nc(C(F)(F)F)nc2n1 95467570 FPPUVJBWGUMQRX-UHFFFAOYSA-N 317.315 2.413 0 40 DEAB CN(C)Cc1ccc(CNC(=O)Cc2ccccc2O)cc1F 95448166 HCKDDXXONLOOQH-UHFFFAOYSA-N 316.376 2.452 0 40 DEAB CC[C@@H](NC(=O)[C@@H]1COCCO1)c1nc(C(F)(F)F)cs1 73278043 QIIYLSMCWASMEW-SFYZADRCSA-N 324.324 2.145 0 40 DEAB CC1CCC2(CC1)OC[C@H](CN[C@H](C(N)=O)c1ccccc1)O2 95990385 IQCPJOZVJMPGNB-PWFYPYPJSA-N 318.417 2.124 0 40 DEAB C[C@H](CNC(=O)N(C)Cc1ccc(Cl)c(F)c1)[S@](C)=O 95977571 SONWPZSWUOYANT-GSDQLPOLSA-N 320.817 2.388 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cccc(OC)c1 35214921 PPJMAQJWJCRDHK-RISCZKNCSA-N 322.430 2.125 0 40 DEAB O=C1CC[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)N1 30947787 PAELTCSIMOVBGR-GFCCVEGCSA-N 316.357 2.335 0 40 DEAB CC(C)n1ccc(CN2CC3(CCOCC3)CC[C@@H]2CO)n1 528640629 PCXDWTWTSPGAGI-MRXNPFEDSA-N 307.438 2.218 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)N[C@H]2c3ccccc3C[C@H]2O)C1(C)C 74943607 SMNUJISZRCDDDF-LDDOYCOJSA-N 318.417 2.148 0 40 DEAB CCN(CC(=O)O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C 79392379 ATQYDAQLFPLNKE-LBPRGKRZSA-N 300.399 2.183 0 40 DEAB O=C1NC(=S)N/C1=C/C(Br)=C/c1ccccc1 213340677 DVLSHFROHXMBIZ-PCCLLEMOSA-N 309.188 2.311 0 40 DEAB Cc1occc1CNC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 77743477 ZIURUAQCLTWNCK-CYBMUJFWSA-N 308.378 2.461 0 40 DEAB C[C@H]1OCC[C@H]1NC(=O)NCc1ncc(-c2ccccc2)o1 565692691 WFGOZQVOSXANJT-DGCLKSJQSA-N 301.346 2.318 0 40 DEAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccccc2OC)C1 49936619 NWMYEMYPBXFUTO-LBPRGKRZSA-N 304.390 2.353 0 40 DEAB CC(=O)N1CCN(Cc2ccc(NC(=O)C(C)(C)F)cc2)CC1 195551633 MJKSGAGPCOZTHK-UHFFFAOYSA-N 321.396 2.037 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN(c2ccc(C(=O)O)cc2)C1 89223666 QJBKEMOLZCNEGH-GFCCVEGCSA-N 306.362 2.488 0 40 DEAB COCCCNC(=S)Nc1ccc(C(=O)O)cc1Cl 225155915 MTBDWDQWIJPRFO-UHFFFAOYSA-N 302.783 2.361 0 40 DEAB COc1ccc(CNC(=O)N2CCC3(CC2)OCCCO3)cc1 75156666 CHWMLUCHBNMIAP-UHFFFAOYSA-N 320.389 2.134 0 40 DEAB Cc1nc(CN2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)no1 195561474 QMABBXCZQHYOOM-YNEHKIRRSA-N 322.409 2.113 0 40 DEAB Cn1cccc1-c1noc(CNC(=O)C2(c3ccccc3)CC2)n1 225767887 ROAFHNUCWSTMMV-UHFFFAOYSA-N 322.368 2.423 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)nn1 225423428 WJPDZWHSJUZYKS-LBPRGKRZSA-N 303.387 2.069 0 40 DEAB COCCN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C 225752394 IMNAYPFRQVUWRX-UHFFFAOYSA-N 311.325 2.281 0 40 DEAB C[S@@](=O)c1ccc(NC(=O)NCCc2ccccn2)cc1F 80129557 NTPSKKMTRBFDQM-QFIPXVFZSA-N 321.377 2.322 0 40 DEAB C[C@@H]1C[C@H](NC(=O)Nc2cccnc2)C(=O)N1c1ccccc1 96434088 RBMJZLGURNVCHW-DOMZBBRYSA-N 310.357 2.397 0 40 DEAB COc1ccccc1N1CC[C@@H](NCc2c(C)nn(C)c2C)C1 95464134 YANCYTNCOVIYGS-OAHLLOKOSA-N 314.433 2.414 0 40 DEAB COC[C@H]1CC[C@H]2[C@H](CCN2C(=O)Cc2ccc(F)cc2)O1 96186629 XXTGFOKRQMSIMC-PMPSAXMXSA-N 307.365 2.163 0 40 DEAB CC(C)N1CC[C@H]2OCC[C@@]2(C(=O)NCc2cccs2)C1 96064865 GHVHMALSAIOZOI-GDBMZVCRSA-N 308.447 2.254 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CC=C(c2cccs2)CC1 96410469 FUDWMGNJKXNSFB-ZDUSSCGKSA-N 319.430 2.216 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)N[C@@H]2CCC[C@H]2O)c1 96415853 ISSNUEUAPZQZOU-HUUCEWRRSA-N 300.362 2.216 0 40 DEAB O=C(CCc1ccccc1F)N1CCOC[C@H]1c1ccn[nH]1 257275411 NPHJULYCJAANKU-HNNXBMFYSA-N 303.337 2.082 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@]4(C)NCCC[C@@H]34)cn12 257293044 QNXPDMKVOIGVGF-QAPCUYQASA-N 312.417 2.389 0 40 DEAB CC(C)N1CCC(c2ccnc3c(C(=O)N(C)C)cnn23)CC1 257335184 YIZCMEDBIGYDNA-UHFFFAOYSA-N 315.421 2.019 0 40 DEAB Cc1ncsc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257253740 KABKELDRZDXDHH-NSHDSACASA-N 318.402 2.066 0 40 DEAB Cn1cnc(CNC(=O)c2ccc(Cc3cccc(F)c3)nc2)c1 585182371 VHQNGGMCTPGMLO-UHFFFAOYSA-N 324.359 2.475 0 40 DEAB O=C(N[C@H]1CC=CCC1)c1cnn2cc(Br)cnc12 94158222 LIYHCAAQYSYEMJ-JTQLQIEISA-N 321.178 2.330 0 40 DEAB C[C@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)cc2c1OCC2 96501705 KVJBISPZFDOLQS-SNVBAGLBSA-N 317.838 2.140 0 40 DEAB CC(C)(C)c1ccc(/C=C/C(=O)NCCN2CCOCC2)cc1 19943680 FPWZTRGGLBEZKG-RMKNXTFCSA-N 316.445 2.446 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](N(CC(=O)O)C2CC2)CC1 252517327 FUKKSVAEAKLABL-HAQNSBGRSA-N 312.410 2.371 0 40 DEAB CN(C)[C@@H]1CCOC2(CCN(C(=O)c3ccsc3)CC2)C1 1614946886 FCQJTYHJTQWPIN-CQSZACIVSA-N 308.447 2.464 0 40 DEAB Cc1ncnc(N2CCC(Oc3ccn4nccc4n3)CC2)c1C 2298212744 YTUQLQKRNWQMHZ-UHFFFAOYSA-N 324.388 2.184 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C 10429183 NDJZYCQIIRPNKP-MRXNPFEDSA-N 303.406 2.386 0 40 DEAB C[C@H](OCc1ccccc1)C(=O)NC1CCN(C2CC2)CC1 30687932 UTXIDHXEEUTXHZ-AWEZNQCLSA-N 302.418 2.335 0 40 DEAB CCN1CCC(NC(=O)[C@H](C)Oc2ccc(OC)cc2)CC1 20608747 HVEAWPJDXZEWBB-ZDUSSCGKSA-N 306.406 2.063 0 40 DEAB O=C(CCc1nc(-c2ccncc2)no1)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101367288 KHOMWBVSOOWTDS-QEJZJMRPSA-N 324.384 2.393 0 40 DEAB O=C(CCC(=O)N1CCc2[nH]c3ccccc3c2C1)NC1CC1 20762722 IMIVVRANQLTQCY-UHFFFAOYSA-N 311.385 2.111 0 40 DEAB biogenic NC(=O)[C@H]1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)C1 41128519 VIWLYXBAFZCNRQ-ZWNMCFTASA-N 312.291 2.052 0 40 DEAB CC(C)(C)OC(=O)N1CCCN(c2ccc(C(=O)O)cn2)CC1 6732278 IEMWYVYZRRMOFM-UHFFFAOYSA-N 321.377 2.227 0 40 DEAB Cc1ccc(CN2CCOC[C@]3(C[C@@H](CN(C)C)CO3)C2)s1 107738583 FOPSIGWHEHBWMQ-RDJZCZTQSA-N 324.490 2.226 0 40 DEAB CCn1cc(C(=O)N[C@@H](C)COC)c(=O)c2cc(Cl)ccc21 22234988 FPAKONKNPZDKCO-JTQLQIEISA-N 322.792 2.440 0 40 DEAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)N2C(=O)CCC2=O)c(C)s1 84081802 MSCCXWOZJFBBCP-NXEZZACHSA-N 308.403 2.080 0 40 DEAB CC(C)[C@@H](CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)N1CCOCC1 105884565 JBPYAHAYVJDOHQ-MWDXBVQZSA-N 308.466 2.286 0 40 DEAB CC[C@@H]1CN(CCOc2ccccc2C)CCN1C[C@H](C)O 106908723 PMWIUKHJPSCSNG-DLBZAZTESA-N 306.450 2.151 0 40 DEAB COc1ccc(-c2ccc(SCC(=O)O)nn2)cc1OC 35314472 UEBKOZHTBCRBBO-UHFFFAOYSA-N 306.343 2.338 0 40 DEAB CCOc1ccc(N2C[C@H](C(=O)N[C@H](C)CC)CC2=O)cc1 27338968 YRVVEFCIOZZGNB-CHWSQXEVSA-N 304.390 2.353 0 40 DEAB CCCn1c(C)ccc(-c2noc(CCCC(=O)O)n2)c1=O 22121601 VQJHAYZXSANLSQ-UHFFFAOYSA-N 305.334 2.024 0 40 DEAB C[C@H](NC(=O)N1CCNC(=O)CC1)c1c(F)cccc1Cl 81511581 NJQUGCNHRBOFQG-VIFPVBQESA-N 313.760 2.072 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCOc2ccccc21)c1nnc2ccccn12 76773457 NHPFJBUYPCLBBG-GXTWGEPZSA-N 322.368 2.473 0 40 DEAB O=C(CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1)NC1CCCCC1 58230596 FSTVCNLZVFNTPI-HZPDHXFCSA-N 315.417 2.291 0 40 DEAB CCn1cnnc1CNC(=O)[C@@H](C)Oc1ccccc1Cl 44942500 LGYRVSXEJVQKMI-SNVBAGLBSA-N 308.769 2.035 0 40 DEAB CC(C)n1cnnc1SCc1nc2ccccc2c(=O)n1C 28073052 KIHWOBTYBIQRGW-UHFFFAOYSA-N 315.402 2.398 0 40 DEAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1cccnc1S 48235966 OSTKCWOOZFHUFG-CQSZACIVSA-N 313.426 2.375 0 40 DEAB CC(=O)N1CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)CC1 45341231 FDMBBLQNOQQWEQ-UHFFFAOYSA-N 313.401 2.100 0 40 DEAB CNC(=O)C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 13009213 CMAPTXLTOLYOHI-QPJJXVBHSA-N 306.793 2.338 0 40 DEAB CNCC1CCN(S(=O)(=O)c2cccc(Cl)c2F)CC1 63159838 BFXLVWPAAJAOGF-UHFFFAOYSA-N 320.817 2.099 0 40 DEAB O=C(OCC(=O)N1CCCC1=O)c1cc2ccccc2s1 6113258 DDWGKAXPJXZUNK-UHFFFAOYSA-N 303.339 2.207 0 40 DEAB COCCOCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 65576685 CBHKTQYPGSOBFX-ZDUSSCGKSA-N 317.389 2.307 0 40 DEAB COc1ncnc2c1CN(Cc1nc(-c3ccccc3)no1)CC2 65575972 IOPFIXZPEAWKNY-UHFFFAOYSA-N 323.356 2.094 0 40 DEAB NC(=O)[C@H]1CCCCN1Cc1coc(-c2ccc(F)cc2)n1 65537875 HUNBIWVNQVOLJP-CQSZACIVSA-N 303.337 2.321 0 40 DEAB Cc1ccc(NC2CCN(C(=O)CC[C@H]3CCCO3)CC2)nn1 69897020 TVOIXJIOHOIZQW-OAHLLOKOSA-N 318.421 2.147 0 40 DEAB O=C(N[C@H]1CCc2ccccc21)N1CCC(n2cncn2)CC1 69875993 JKGBKLLCNKGSMU-INIZCTEOSA-N 311.389 2.312 0 40 DEAB CC(C)c1ccc(-n2nnn(CN3CCOCC3)c2=S)cc1 14184020 ACEQVSMETDNSCC-UHFFFAOYSA-N 319.434 2.211 0 40 DEAB Cc1sc(NC(=S)NC(=O)CC(C)C)c(C(N)=O)c1C 4657230 DWCMEVZNBXTLPE-UHFFFAOYSA-N 313.448 2.323 0 40 DEAB O=C(CCn1cncn1)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412811 KBDSCIHHUUYTBS-JOCBIADPSA-N 310.401 2.367 0 40 DEAB CCC(CC)[C@H]1C[C@@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)CCO1 97048279 KMBWJVHBWIZFLQ-DRPJVOAASA-N 310.438 2.206 0 40 DEAB C[C@@H](Nc1cnn(CCN(C)C)c1)c1ccc2c(c1)OCCO2 97037668 JXTIBVBVLGMCJF-CYBMUJFWSA-N 316.405 2.389 0 40 DEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H](C)C(=O)O 97035982 QTZQHVRBNACPAL-VIFPVBQESA-N 321.764 2.285 0 40 DEAB CC(C)Oc1cccc(CN2CC(n3cc([C@@H](C)O)nn3)C2)c1 96000059 NNYXNLWJIHONDO-CYBMUJFWSA-N 316.405 2.176 0 40 DEAB COc1cc(NC(=O)N(C)CCc2ccc(F)cc2)ncn1 96008671 VWVQSQQNPRCGAP-UHFFFAOYSA-N 304.325 2.331 0 40 DEAB C[C@H]1CCN(C(=O)c2ccc(O)cc2O)C[C@H]1n1ccnc1 97059801 RMIGOHKHFOKPKX-SMDDNHRTSA-N 301.346 2.018 0 40 DEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)Nc1nnc(C(F)F)s1 96421891 DEFWPUOQVXIDLP-QYNIQEEDSA-N 318.349 2.411 0 40 DEAB Cc1csc(N2CCCN(Cc3nc(C4CC4)no3)CC2)n1 71824896 UUPWZUUYMPOUHC-UHFFFAOYSA-N 319.434 2.424 0 40 DEAB CCc1nnc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)o1 71817234 AOXBRTBWMNENLJ-UHFFFAOYSA-N 314.267 2.133 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)c2ccccn2)cc1F 9766251 ZXQJMSOAZGOCJM-UHFFFAOYSA-N 302.305 2.002 0 40 DEAB O=S(=O)(N1CCCCCC1)N(Cc1cccnc1)C1CC1 84425005 GMCZRRJDNYILMQ-UHFFFAOYSA-N 309.435 2.167 0 40 DEAB Cc1ccc(C)c([C@@H](O)CN(CC(=O)NC2CC2)C2CC2)c1 72600183 JCXFRZUTAFZKMP-KRWDZBQOSA-N 302.418 2.080 0 40 DEAB COc1cccc([C@@H](O)CN2CCC[C@@H]2c2noc(C)n2)c1 95397647 JMCPWCSQUFUVKG-CABCVRRESA-N 303.362 2.257 0 40 DEAB COC(=O)c1ccccc1CCc1nc([C@H]2CCOC2)no1 95443090 VRANMPSKXJOLPL-LBPRGKRZSA-N 302.330 2.145 0 40 DEAB CCOC(=O)c1[nH]cnc1NC(=O)CSc1ccccc1 95457237 DDRWSGQNXXOTFL-UHFFFAOYSA-N 305.359 2.317 0 40 DEAB Cc1cnc(CCN(C)C(=O)c2ccc(NC=O)cc2)s1 95438397 JDDITCYADOQYMH-UHFFFAOYSA-N 303.387 2.335 0 40 DEAB CC1(C)C[C@@H](N[C@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 95423853 KXTBXTRRVFOWIW-LSDHHAIUSA-N 317.433 2.232 0 40 DEAB CCc1nsc(N(C)Cc2nccn2CC(F)(F)F)n1 95409108 HLBRZAKWYIYDJD-UHFFFAOYSA-N 305.329 2.496 0 40 DEAB CCS[C@@H]1CCC[C@@H](NC(=O)NCc2nnc3n2CCC3)C1 84811947 AJMYVJYGOBIPSE-VXGBXAGGSA-N 323.466 2.088 0 40 DEAB Cc1nc(COc2ccc(C(=O)N(C)CCO)cc2)sc1C 88520951 CGMIOYKWVIHKNY-UHFFFAOYSA-N 320.414 2.403 0 40 DEAB CC(C)[C@@H]1CN(C(=O)CCCS(C)(=O)=O)c2ccccc2N1 75093020 NGZPFPXVQJFPIF-AWEZNQCLSA-N 324.446 2.295 0 40 DEAB CCS[C@H]1CCCC[C@H]1Nc1ncc(S(N)(=O)=O)s1 75105373 PUWLGPOKNJFWOY-BDAKNGLRSA-N 321.493 2.267 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N2CC[C@@]3(CCOC3)C2)cn1 89694369 OXDKHWLJTAWGDE-MRXNPFEDSA-N 324.446 2.271 0 40 DEAB O=C(CO)OCC(=O)N1c2ccccc2Sc2ccccc21 89865633 BLDUCWUWOZYSFG-UHFFFAOYSA-N 315.350 2.351 0 40 DEAB Cc1ncc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)c(C)n1 1550004688 PLECIBHZMQFJRV-ZDUSSCGKSA-N 310.401 2.444 0 40 DEAB O=C(Cc1cccs1)NCC1(N2CCOCC2)CCCCC1 33025953 DRGYXUZMRZBYIT-UHFFFAOYSA-N 322.474 2.442 0 40 DEAB COc1ccc(-c2cc(C(=O)Nc3nncs3)n(C)n2)cc1 72405894 NPALLFIVDVRAIA-UHFFFAOYSA-N 315.358 2.200 0 40 DEAB COc1cc(C)sc1C(=O)NC[C@H](O)Cc1ccccc1 73111400 LKBKYNGUTKJNDJ-CYBMUJFWSA-N 305.399 2.399 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)c2cnc3[nH]nc(C)c3c2)C12CCC2 76022820 MFFYHBQWMYIVHB-KBPBESRZSA-N 314.389 2.344 0 40 DEAB CC1(C)CCN(C(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 557630372 BFGWGDPIWADQID-GOSISDBHSA-N 300.402 2.093 0 40 DEAB Cc1[nH]nc(CN2CCCCC2)c1I 38881478 LGXBOTPYCJFGDI-UHFFFAOYSA-N 305.163 2.309 0 40 DEAB CCOCC(=O)NCc1c(F)cc(Br)cc1F 188457771 NUKNDLPKRGSMHO-UHFFFAOYSA-N 308.122 2.380 0 40 DEAB Oc1nc(-c2ccncc2)nc2c1CN(C[C@@H]1CCC=CO1)CC2 72339819 LZXGJCXJEMACMF-AWEZNQCLSA-N 324.384 2.295 0 40 DEAB CC(C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341963 JVDODHSKNWIMGK-UHFFFAOYSA-N 318.826 2.487 0 40 DEAB CC(C)N(CC1CCC1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 194332366 QVAQGLBWVJWWCK-AWEZNQCLSA-N 307.438 2.217 0 40 DEAB Cc1cc(C(=O)N[C@H](C)C(C)C)ccc1N(C)S(C)(=O)=O 225228820 UQEWBCKKAWVONQ-GFCCVEGCSA-N 312.435 2.165 0 40 DEAB Cc1ccc(-n2cnc(C(=O)NCc3cc(C)nn3C)c2)cc1 226754339 WMVIPMCZWYHTFE-UHFFFAOYSA-N 309.373 2.153 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O2)n1 96058208 IKYAWLXCDGVYPN-QJPTWQEYSA-N 319.386 2.432 0 40 DEAB O=C(c1ccno1)N1CC[C@@]2(CCCN(c3ccccn3)C2)C1 96216698 MVCQPSPOJXEESG-QGZVFWFLSA-N 312.373 2.202 0 40 DEAB CC(C)n1c(N)nnc1S[C@@H]1CCN(c2ccccc2)C1=O 96430426 APYATGFRZHYTEK-GFCCVEGCSA-N 317.418 2.339 0 40 DEAB Cc1c(CN[C@@H]2CCCN(c3cccc(F)c3)C2=O)cnn1C 97229825 TYPVFMWWXSVBMU-MRXNPFEDSA-N 316.380 2.153 0 40 DEAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccccn1)C2 96056843 KBUNJFBMDPOTIG-WBVHZDCISA-N 304.390 2.129 0 40 DEAB C[C@H]1CCN(CCOc2ccc(NC(=O)c3cc[nH]n3)cc2)C1 96443930 SRQUXTLNAOBKPD-ZDUSSCGKSA-N 314.389 2.383 0 40 DEAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1nccn2ccnc12 96436139 MOTYVMQKPCQAEM-QWHCGFSZSA-N 302.378 2.054 0 40 DEAB CC(C)(C)c1nc(C(C)(C)NCCOC[C@H]2CCCO2)no1 96421117 NBLJKZNUYVGTSN-GFCCVEGCSA-N 311.426 2.387 0 40 DEAB COC[C@H]1CN(Cc2nccs2)Cc2ncn(CC3CC3)c21 96060271 MFGLETYWPJDFAE-CYBMUJFWSA-N 318.446 2.495 0 40 DEAB C[C@H]1CN(c2ccccc2NCc2cnnn2C)C[C@@H](C)O1 95448621 RIFGOCKGUJEWQF-BETUJISGSA-N 301.394 2.041 0 40 DEAB CC(C)[C@H]1CN(C(=O)Nc2ccnn2-c2ccccn2)CCO1 578958938 NZLILDZXBAFCHD-CYBMUJFWSA-N 315.377 2.156 0 40 DEAB COC(=O)[C@H]1CCCN1CCC(=O)Nc1ccc(C)c(F)c1 96443267 XTNBKLXDPKPQLN-CQSZACIVSA-N 308.353 2.100 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 96053753 PJMNJSOEGZPWTM-HOTGVXAUSA-N 313.426 2.347 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)CCc1cccs1 245289865 FUDXAWKHDIPSMN-LWWSYDQCSA-N 307.415 2.385 0 40 DEAB CCOc1cccc(C(=O)N2CC3(C[C@H](OCC)CCO3)C2)c1 248377322 GHTRRQZELQJMPU-MRXNPFEDSA-N 319.401 2.495 0 40 DEAB O=C(CCn1cccn1)NC[C@@H](c1ccco1)N1CCCCC1 42476455 OHJXBCWQNQMSTF-HNNXBMFYSA-N 316.405 2.210 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@@H]1c1ccnc(O)n1 257208796 BNPYBALFHPXIJE-CYBMUJFWSA-N 317.320 2.064 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@]3(C)NCCCC[C@H]23)n1 257241890 IACBVIDJQCVMDQ-RDJZCZTQSA-N 304.438 2.023 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)NCC[C@H](O)c1ccoc1 90613089 RBASUBZJDIQKCX-SHQCLWGWSA-N 307.371 2.293 0 40 DEAB CCN1CCC(NC(=O)NCCc2cccc(OC)c2)CC1 47978706 XBDQEXFCIAABFE-UHFFFAOYSA-N 305.422 2.021 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)CCN2CCOC2=O)cc1 55165465 REAVGJNHXADNLE-OAHLLOKOSA-N 318.373 2.201 0 40 DEAB Cc1nn(C)c(C)c1C(=O)O[C@H](C(=O)N(C)C)c1ccccc1 58087487 AEKIROAEGSEOBL-HNNXBMFYSA-N 315.373 2.023 0 40 DEAB O=C(NC[C@H]1COCCO1)Nc1ccc2oc(C3CC3)nc2c1 56601588 YIPFAASYGZKYJB-LBPRGKRZSA-N 317.345 2.242 0 40 DEAB CN(C)C(=O)CCNC(=O)NCC1(c2ccc(Cl)cc2)CC1 69557854 MTKQRJQATUPXNC-UHFFFAOYSA-N 323.824 2.149 0 40 DEAB 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CC(C)(C)OC(=O)N1CC[C@H](Nc2cc(NC3CC3)ncn2)C1 79439479 GCNDRINEZNODLG-LBPRGKRZSA-N 319.409 2.472 0 40 DEAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCS(C)(=O)=O)C1 78183984 ZSGUCQASVALHQE-KGLIPLIRSA-N 309.431 2.134 0 40 DEAB Cn1ccc(C(=O)N2CC[C@@H](Cc3cnc4[nH]ccc4c3)C2)n1 72367653 ITBWGZGDXANROR-LBPRGKRZSA-N 309.373 2.001 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C(C)C)C1 42645643 FYRMIJUBGXMMSX-OAHLLOKOSA-N 318.417 2.347 0 40 DEAB O=C(Nc1cnccn1)c1cc(OCc2ccccc2)ncn1 225534455 KFAJZGPUJMZDQY-UHFFFAOYSA-N 307.313 2.098 0 40 DEAB O=C(NCCc1ccc2c(c1)OCO2)[C@H]1Cc2ccccc2O1 44872673 WJKNYYALIWOPHY-QGZVFWFLSA-N 311.337 2.078 0 40 DEAB Cc1nn(C)c2cc(NC[C@@H]3CCCS(=O)(=O)C3)ccc12 329755332 XXJVDWPOGYGPMX-LBPRGKRZSA-N 307.419 2.118 0 40 DEAB CCc1nocc1CN(C)C(=O)c1ccc2c(c1)nc(O)n2C 574306504 BFSMNFRJDLSNTF-UHFFFAOYSA-N 314.345 2.102 0 40 DEAB Cc1cc(N2CCC(N(C)c3ncns3)CC2)nc(C)n1 195575194 MEXYSZJEEOFJJO-UHFFFAOYSA-N 304.423 2.050 0 40 DEAB COc1cncc(O[C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 225498345 QKZAOZWKADTDAO-GFCCVEGCSA-N 319.386 2.230 0 40 DEAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1 96474926 WWTQSGYOEBDFAQ-KWCYVHTRSA-N 316.467 2.078 0 40 DEAB O=C(COC[C@@]12CCC[C@@H]1CN(C1CCC1)C2)N1CCCC1 96109222 MDOZFYGUDJINJR-QAPCUYQASA-N 306.450 2.280 0 40 DEAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nnn[nH]2)C1 95446035 OPPDYWOJXUYGIY-TUAOUCFPSA-N 317.418 2.079 0 40 DEAB O=C(CN1CCc2c(Cl)cccc2C1)NCc1ccccn1 96417447 PDXIUNGPSOXKBN-UHFFFAOYSA-N 315.804 2.410 0 40 DEAB C[C@@H](CN1CCOCC1)N1CCC([C@H](O)c2ccccc2)CC1 91531517 XZEWJTNOOYIEMK-QFBILLFUSA-N 318.461 2.153 0 40 DEAB CCc1ccc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)o1 96200890 ISTNVPDYNPZSRG-MSOLQXFVSA-N 316.449 2.323 0 40 DEAB Cc1ccc(CNC(=O)N2CC[C@@H](c3nccn3C)C2)nc1C 578321369 OMMFBISERPKNDE-CQSZACIVSA-N 313.405 2.131 0 40 DEAB Cc1nc(NC(C)C)nc2c1CN(C(=O)c1cccnc1)CC2 96253911 HTLSJPWCBGDTGF-UHFFFAOYSA-N 311.389 2.199 0 40 DEAB CC(C)N(C)Cc1nnc2n1CCN(Cc1ccsc1)CC2 96058948 KHMBZWNECAAERY-UHFFFAOYSA-N 319.478 2.238 0 40 DEAB CCc1cc(CNC(=O)NC[C@H]2CCO[C@H]2C(C)(C)C)on1 96421591 ZWSSUMNXUBZPNZ-BXUZGUMPSA-N 309.410 2.487 0 40 DEAB COc1ccc(Cc2n[nH]c(NC(=O)c3ccncc3)n2)cc1 95473887 IGWYWQWGQGMERT-UHFFFAOYSA-N 309.329 2.051 0 40 DEAB COC[C@@H]1C(=O)NCC12CCN(Cc1ccc(Cl)cc1)CC2 96206098 UDRBAMDPPZTTLH-OAHLLOKOSA-N 322.836 2.315 0 40 DEAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NC(C)C)C2)c1 96252885 WRIQVPSXFXEDPK-IXDOHACOSA-N 302.418 2.109 0 40 DEAB c1cncc(CO[C@H]2CSC3(C2)CN(C2CCOCC2)C3)c1 253596831 WJHKMXNRWZLGRM-MRXNPFEDSA-N 320.458 2.337 0 40 DEAB CCCn1cc(CNCc2ccnn2CC(F)(F)F)cn1 256052588 NXXTVUMJWLIWEP-UHFFFAOYSA-N 301.316 2.342 0 40 DEAB CO[C@H]1CCCN(C(=O)/C=C/CN(C)C)[C@H]1Cc1ccccc1 585289675 LVSQZNLGCZZAAA-UFBUJHCKSA-N 316.445 2.353 0 40 DEAB C[C@@H]1C[C@@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CS1 585141282 SQAMOOIVMIQSFQ-WQVCFCJDSA-N 319.474 2.442 0 40 DEAB C[C@@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)n1cccn1 44669298 BEDXOYJNVGHOQJ-GJZGRUSLSA-N 316.405 2.381 0 40 DEAB Cn1cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)cn1 681290101 OPGZAIBFTXUVRR-CYBMUJFWSA-N 321.384 2.383 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NCC(=O)Nc1cccc(F)c1 51271133 ILHNKTMPEVOXSC-LLVKDONJSA-N 319.336 2.288 0 40 DEAB Cc1cccnc1[C@@H](NC(=O)c1nc2nccc(C)n2n1)C(C)C 79358149 IJWGPWYZUXEZLO-ZDUSSCGKSA-N 324.388 2.263 0 40 DEAB O=C(C[C@@H]1C=CCC1)NC[C@@H]1CN(Cc2ccccc2)CCO1 105707549 BMNZIIGZYXDKGC-SJLPKXTDSA-N 314.429 2.360 0 40 DEAB CCn1c([C@H](CC(C)C)NC(=O)COC)nc2cccnc21 12114137 QRBSHQWUIZJHAX-ZDUSSCGKSA-N 304.394 2.301 0 40 DEAB COc1ccccc1[C@]1(O)CCCN(C(=O)[C@@]2(C)CCCO2)C1 12290441 QYGINBXXTOHLLW-MSOLQXFVSA-N 319.401 2.074 0 40 DEAB O=C(NC(=S)Nc1nccs1)c1ccc2c(c1)OCCO2 14257679 KCQNMYGBJNYNOB-UHFFFAOYSA-N 321.383 2.041 0 40 DEAB CCN1CCN([C@H](c2nnnn2C2CCCC2)C(C)C)CC1 35291301 RQZPCTCIQPWBPH-HNNXBMFYSA-N 306.458 2.123 0 40 DEAB Cc1cc(COC(=O)Cc2ccc(N3CCCC3=O)cc2)no1 25117601 ODNLHIZPHYTCAN-UHFFFAOYSA-N 314.341 2.396 0 40 DEAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cn1 32482431 KQMBODZKLFWCOK-AWEZNQCLSA-N 317.389 2.495 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(CC3CCOCC3)C2)nc1 1776000476 HTSPHBWOCCBXOL-INIZCTEOSA-N 305.422 2.302 0 40 DEAB Cc1cccnc1C(=O)N1CC2(C[C@@H](NCC3CC3)CS2)C1 2056224524 UHJCHSMNFKBIQF-CQSZACIVSA-N 317.458 2.090 0 40 DEAB CCOC(=O)N1CC[C@@H](c2ccccc2F)S(=O)(=O)CC1 585395229 KCJIYXBPJKJAJW-ZDUSSCGKSA-N 315.366 2.144 0 40 DEAB COc1c2c(cc3c1[C@H](n1nc(C)cc1C)N(C)CC3)OCO2 20758053 JQQASTAMFOAACM-KRWDZBQOSA-N 315.373 2.272 0 40 DEAB biogenic CSCC(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 8088242 OMLLWRGJPSQOOM-UHFFFAOYSA-N 316.448 2.017 0 40 DEAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C1=CCCCO1 91209941 PJMWAJCTNKAITG-ZDUSSCGKSA-N 303.358 2.271 0 40 DEAB OCC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 52243630 VBXXIDDHGKCEBP-UHFFFAOYSA-N 309.373 2.024 0 40 DEAB C[C@@H](NC(=O)COC(=O)c1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 102175366 WHIOSCOFBHGYBV-OSFYFWSMSA-N 317.385 2.490 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@H]21 46493900 WIIMDQSUILXDSM-CVEARBPZSA-N 305.422 2.140 0 40 DEAB COc1cc(NC(=O)[C@H]2CC=CCC2)ccc1NS(C)(=O)=O 29967423 KGACDZGVKBHAAC-NSHDSACASA-N 324.402 2.362 0 40 DEAB CC(C)CNC(=O)[C@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263560 JQKJITRWQNBAFC-OKZBNKHCSA-N 316.445 2.091 0 40 DEAB CCOC(=O)[C@@H](C)Sc1nnc2n1CCN2c1ccccc1 9574075 FVPFMCDQGXKGQF-LLVKDONJSA-N 318.402 2.474 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1cnn(C)c1 53409942 NDSLQSZZSVVSJY-QGZVFWFLSA-N 324.384 2.001 0 40 DEAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)CC1Cc3ccccc3C1)CCO2 107720260 UXUSMTOCIRXAPC-ZHALLVOQSA-N 315.413 2.196 0 40 DEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccco1 23106265 PZFRBRZCIIYMSB-OAHLLOKOSA-N 318.348 2.222 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CC[C@@H](C(N)=O)C1 46941210 JHAMYHCXUKJTNH-YPMHNXCESA-N 319.405 2.118 0 40 DEAB Cc1ccnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 24581153 JUCNZGNXEZJDIH-UHFFFAOYSA-N 311.263 2.209 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)O)CC1 3135711 VCKBZBBAHJLSJZ-OLZOCXBDSA-N 322.792 2.018 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H](c1ccccc1)N(C)C 25421042 ZEMLAOWJUALXAQ-MRXNPFEDSA-N 301.390 2.253 0 40 DEAB Cc1cc(-c2ccccc2)[n+]2cc(S(=O)(=O)O)sc2n1 3121949 YTJPIBQRLVFJPA-UHFFFAOYSA-O 307.376 2.104 0 40 DEAB C[C@@H](NC(=O)N1CC[C@H](C(N)=O)C1)c1ccc2c(c1)CCCC2 43861233 OGGPDXUTZWCSPQ-WBMJQRKESA-N 315.417 2.143 0 40 DEAB CC(C)(C)OC(=O)NCC(=O)Oc1ccc2ccc(=O)oc2c1 1793740 CTOXOPHDLLAXTG-UHFFFAOYSA-N 319.313 2.223 0 40 DEAB biogenic O=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@H]2CC[C@@H]1C2 100621557 QQLOJIMQTXJLTF-GEONZQJFSA-N 304.434 2.091 0 40 DEAB CC[C@H](c1ccccc1)[C@@H]1CCCN1CCC(=O)NC(N)=O 58209692 JUAAMOIEKHZJIT-CABCVRRESA-N 303.406 2.230 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc2c(c1)OCCCO2 44908959 QDPFKEYUZKQLCP-NSHDSACASA-N 314.341 2.027 0 40 DEAB CN(C)CCn1cc(NC(=O)c2cn(C)c3ccccc23)cn1 58341241 JTZBXZVHPHNYCN-UHFFFAOYSA-N 311.389 2.189 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccccc1F 58332788 GEOBHTGYAXNGEC-STQMWFEESA-N 320.408 2.382 0 40 DEAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1 10515327 XCJJWLRMNAPUOC-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB C[C@H](NC(=O)NCC1(c2ccccc2)CCC1)c1nncn1C 45370936 RBZVYHKSQGNMIN-ZDUSSCGKSA-N 313.405 2.297 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)COCc1nc2ccccc2s1 45447701 YRXXRYPZXCVVNF-NWDGAFQWSA-N 320.414 2.449 0 40 DEAB CCOCCCn1cnc2c3cc(OC)ccc3n(C)c2c1=O 2443640 HZNMVKOVKJWEEP-UHFFFAOYSA-N 315.373 2.323 0 40 DEAB O=C(CSc1nnnn1C1CC1)N(C1CCCCC1)C1CC1 48261549 YLVSVNCOHPSITC-UHFFFAOYSA-N 321.450 2.424 0 40 DEAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC(=O)N(C)C1 69349001 CBSVCZGGPGWZMH-UWVGGRQHSA-N 312.822 2.168 0 40 DEAB Cc1n[nH]cc1CNS(=O)(=O)c1ccccc1C(F)(F)F 38012175 SGWCDQCVYYRNRG-UHFFFAOYSA-N 319.308 2.215 0 40 DEAB CC(=O)c1ccccc1OCCOc1ccc(-n2cnnn2)cc1 13001401 WKRHUIAABZMSGW-UHFFFAOYSA-N 324.340 2.323 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(C)cn1 69457172 YYLDUOWVNAFFPO-INIZCTEOSA-N 309.369 2.302 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)Cc3cn4ccccc4n3)C2)c1 69437119 BRXHZZUSEKUNFJ-MRXNPFEDSA-N 323.400 2.245 0 40 DEAB Cc1ccc([C@H]2[C@@H](C(=O)O)CC(=O)N2Cc2c(C)noc2C)o1 69492356 MICKXOZQHJKKGO-XHDPSFHLSA-N 318.329 2.367 0 40 DEAB CC(C)(C)NC(=O)Cc1ccc(NC(=O)c2cnccn2)cc1 13717441 MMGJCVPTFAUGHD-UHFFFAOYSA-N 312.373 2.186 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCCC[C@H]1Cn1cccn1 69971274 YCSWBGLUBXOJJH-AWEZNQCLSA-N 313.357 2.307 0 40 DEAB O=S(=O)(O)c1nc2ccccc2n1CCOc1ccccc1 6399901 LVUBJNWGQRFCPM-UHFFFAOYSA-N 318.354 2.362 0 40 DEAB COCCC(=O)NCc1cccc(NC(=O)c2ccco2)c1 65494635 QPMKWPMLFWDOIM-UHFFFAOYSA-N 302.330 2.185 0 40 DEAB Cc1ccc2nc(SCC(=O)NC(=O)NCC(C)C)[nH]c2c1 6506499 DAYBUCDXVIISAZ-UHFFFAOYSA-N 320.418 2.445 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 8747730 QJCHCMGTTSZGEE-UHFFFAOYSA-N 323.780 2.389 0 40 DEAB Cc1noc(C)c1CSCC(=O)OCC(=O)c1ccc[nH]1 6785071 YUVBNDNTONFECG-UHFFFAOYSA-N 308.359 2.279 0 40 DEAB O=C(O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1F 5872589 DUVLOGAVNGLPSM-UHFFFAOYSA-N 309.318 2.002 0 40 DEAB CCn1nnc2cc(C(=O)Oc3ccc4c(c3)OCO4)ccc21 7658596 HWIYPUCFIAEPIF-UHFFFAOYSA-N 311.297 2.399 0 40 DEAB CC(C)C(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 16391635 HQZLPPCRSDLSBH-UHFFFAOYSA-N 320.824 2.288 0 40 DEAB CCOc1ncccc1C(=O)NCCc1ccc(OC)cc1 7984507 HJOKYTYIUGPWFH-UHFFFAOYSA-N 300.358 2.461 0 40 DEAB O=C1O[C@H](C(=O)NCCc2ccccc2F)Cc2ccccc21 7988230 ZKJRWQMSKZMDFI-INIZCTEOSA-N 313.328 2.266 0 40 DEAB O=C(N[C@H]1CCCN(c2cccnc2)C1=O)N1CCCCCC1 96011042 VLDGLRKBACSIJV-HNNXBMFYSA-N 316.405 2.163 0 40 DEAB CC(=O)N[C@@H](CSc1cc(C)nc2ccc(F)cc12)C(=O)O 9423680 AQDKYUGEQMGSDG-ZDUSSCGKSA-N 322.361 2.364 0 40 DEAB Cc1noc(CCNC(=O)N[C@H](C)c2ccc(F)c(F)c2)n1 71792639 ZCZOXQPOHOOWDB-MRVPVSSYSA-N 310.304 2.259 0 40 DEAB O=C1NCCN(C(=O)c2ccoc2)[C@H]1c1ccccc1Cl 97086612 JRXUMFHZYDQNTJ-ZDUSSCGKSA-N 304.733 2.246 0 40 DEAB CCOC(=O)c1ccc(N2CCC[C@H](c3ccncn3)C2)nc1 71808728 PTPNVCXLBHKVJO-AWEZNQCLSA-N 312.373 2.432 0 40 DEAB Cc1cc(C(=O)N2CCN3CCCC[C@H]3C2)nn1C(C)(C)C 71839749 CGRFFMLKVNDJRA-AWEZNQCLSA-N 304.438 2.257 0 40 DEAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN2CCCC[C@H]2C1 71839941 QFUWOXUNVBRTKX-HNNXBMFYSA-N 310.401 2.387 0 40 DEAB CC(C)[C@H]1CCCN1C(=O)Cn1cnc2ccc(F)cc2c1=O 71829973 DBAKLGSVEKWJBG-OAHLLOKOSA-N 317.364 2.183 0 40 DEAB Cc1cc(OCC(=O)N2CCC[C@@H](c3nccs3)C2)no1 72273471 PCXDYYOWMFGKPO-LLVKDONJSA-N 307.375 2.225 0 40 DEAB Cc1cnn(CCC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)c1 72234110 YWQNCIZBMFWLQK-HNNXBMFYSA-N 315.421 2.296 0 40 DEAB CCN1CCN(C[C@H](C)CNC(=O)c2cc(C)c(C)s2)CC1 75572753 FYCIRYOQICQFTQ-CYBMUJFWSA-N 323.506 2.368 0 40 DEAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)c1ncoc1[C@@H]1CCCO1 72295556 QKCCZMYGPHLWGQ-BVIHXZOGSA-N 320.389 2.460 0 40 DEAB O=C(N1CC[C@@H](O)C1)C1(c2cccc(Br)c2)CC1 76093518 GPGDKQFTFBOFJU-GFCCVEGCSA-N 310.191 2.074 0 40 DEAB CC[C@H](NC(=O)NCCCn1ccnc1C)c1nccs1 76018496 ZVAODTSFYFYZIC-LBPRGKRZSA-N 307.423 2.489 0 40 DEAB Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)n(C)n1 95399180 NBROUXZCASGVND-LBPRGKRZSA-N 321.764 2.328 0 40 DEAB Cc1cscc1C(=O)N[C@@H]1CCN(C(=O)c2ccccn2)C1 95429897 TYNYHRZCMFTCQF-GFCCVEGCSA-N 315.398 2.096 0 40 DEAB NC(=O)c1cc(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c[nH]1 95410668 ONRIQFUMPHOVPT-KBXCAEBGSA-N 309.369 2.346 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)Cn1cccn1 78771219 JNDQDKUJTOJAKW-SWLSCSKDSA-N 315.421 2.233 0 40 DEAB C[C@H]1C[C@H]1NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 78878205 UHPCLQXNMBFANG-GXSJLCMTSA-N 300.314 2.251 0 40 DEAB O=C(NCCCO)Nc1ccc2nc(-c3ccccn3)oc2c1 95992696 VEZHSDZQJVDPKH-UHFFFAOYSA-N 312.329 2.394 0 40 DEAB S=C(NCCc1cc(Cl)c2c(c1)OCCO2)NC1CC1 95946762 FCWNQUIEJSKUGL-UHFFFAOYSA-N 312.822 2.280 0 40 DEAB Cc1n[nH]cc1CN[C@@H]1CCN(c2cccc(Cl)c2)C1=O 79020773 LHNBKWINZNMVJG-CQSZACIVSA-N 304.781 2.267 0 40 DEAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCC[C@@H](C(=O)O)C1 20739824 WKHDPFOTIHCPEB-IAQYHMDHSA-N 316.357 2.399 0 40 DEAB O=C(NCc1nc2c3ccccc3ncn2n1)c1ccccc1 521398866 REASVPPKCPLZTO-UHFFFAOYSA-N 303.325 2.208 0 40 DEAB CCOc1ccc(CCCNC(=O)[C@@H]2CCCN(C)C2)cc1 78578615 KDEWRYGUCOAFMP-MRXNPFEDSA-N 304.434 2.476 0 40 DEAB N[C@]1(C(=O)O)C[C@@H]1C(=O)OCC1c2ccccc2-c2ccccc21 71186799 UOOVYTTYBFNPLU-VQIMIIECSA-N 323.348 2.144 0 40 DEAB COc1ccc(CCNS(=O)(=O)c2ccccc2F)cc1 35085278 BMECGKXVIHGIDF-UHFFFAOYSA-N 309.362 2.355 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cn1 72385482 OWASOMAOJKJDHI-GFCCVEGCSA-N 302.403 2.336 0 40 DEAB CN(C(=O)[C@@H]1COCC(=O)N1Cc1ccccc1)c1ccccc1 70641385 CHRNQQAUBCIFNJ-KRWDZBQOSA-N 324.380 2.077 0 40 DEAB CCC(C)(C)n1nnnc1CN1CCN(c2ccccc2)CC1 35310710 DOJNUCVIKFSSNC-UHFFFAOYSA-N 314.437 2.140 0 40 DEAB Cc1ccc(-c2noc(-c3nsc(C(=O)O)c3N)n2)cc1 71328557 LEXKGLDNQLHEDY-UHFFFAOYSA-N 302.315 2.449 0 40 DEAB CC12CN3CC(C)(CN(C1)C3c1ccc3ccccc3n1)C2=O 79190172 YYHDJYBWJOJRRW-UHFFFAOYSA-N 307.397 2.460 0 40 DEAB biogenic CCOc1ccc(CCC(=O)NCCCN(C)C)cc1OCC 216303185 AQTCJBAMBKVZKG-UHFFFAOYSA-N 322.449 2.485 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](Cc1cccc(F)c1F)C(=O)O 70989450 MMZBMRZQYLJCOE-JTQLQIEISA-N 301.289 2.485 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NC[C@](C)(O)c1ccsc1 77532020 QHYULBPEBORFPS-NHYWBVRUSA-N 308.403 2.479 0 40 DEAB COC(=O)c1cccc(NC(=S)NCCCn2ccnc2)c1 225521374 ZGCOIOZIWZLAAK-UHFFFAOYSA-N 318.402 2.046 0 40 DEAB O=C(N[C@H]1CCCN(c2ccccn2)C1)c1n[nH]c2ccccc12 131112502 FDDLECIQKANDQU-ZDUSSCGKSA-N 321.384 2.357 0 40 DEAB COc1cc2c(cc1CN1CC[S@](=O)C[C@H](C)C1)O[C@H](C)C2 571740394 NVXPHIRMGMIZTK-VJBOLBCHSA-N 323.458 2.219 0 40 DEAB Cc1ncsc1CCC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 576207348 PJJWYBFCZUWYKG-MLGOLLRUSA-N 324.446 2.181 0 40 DEAB COC(=O)c1occc1Cn1c(=O)cnc2cc(F)c(F)cc21 96430190 PSAIAPBGMZMOBT-UHFFFAOYSA-N 320.251 2.103 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCc1ccc2c(c1)CCO2 96491654 UNWWRLYPZQYZPA-DOTOQJQBSA-N 323.458 2.109 0 40 DEAB CC(C)Nc1ncnc2c1CCN(C(=O)c1ccco1)CC2 96084036 MMBQCWOHCNFJMV-UHFFFAOYSA-N 300.362 2.131 0 40 DEAB O=C(NCc1nc(-c2ccncc2)no1)[C@@H]1CCC(F)(F)C1 331730341 QFNWYDPMMTZVDA-SNVBAGLBSA-N 308.288 2.183 0 40 DEAB CN(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(Cc3ccoc3)C2)O1 96208312 DVPBMDOFOUBVSI-DOTOQJQBSA-N 321.421 2.064 0 40 DEAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N(C)CCO 97236780 DNDYFZPRRXVHDK-JTQLQIEISA-N 304.312 2.270 0 40 DEAB O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@@H]1[C@H]1CCNC1 333892049 YIVHMVRSWHUMRZ-IINYFYTJSA-N 310.344 2.275 0 40 DEAB CC(C)c1cc(C(=O)N[C@@H](C[S@](C)=O)c2ccccc2)n[nH]1 96445438 MPJZMRIVUISZJI-OYHNWAKOSA-N 319.430 2.383 0 40 DEAB c1csc([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 97200093 RYJWTCBBBPKJRJ-OAHLLOKOSA-N 318.398 2.488 0 40 DEAB O=C(NC1CCCC1)N1CCc2ncnc(C3CC3)c2CC1 96255138 JXLBBGUQDNFCPA-UHFFFAOYSA-N 300.406 2.407 0 40 DEAB C[C@@H](CSCC(=O)N[C@@H]1CCCCNC1=O)c1ccccc1 96496195 IWIJOCLMZXORMF-DZGCQCFKSA-N 320.458 2.308 0 40 DEAB CC[C@@](C)(NC(=O)c1cnn(C2CCCC2)c1C)C(=O)OC 95450327 CJKKIDTUCPRCPO-MRXNPFEDSA-N 307.394 2.378 0 40 DEAB CC(C)N1CCO[C@@H]2CN(C(=O)Cc3cccs3)CC[C@@H]2C1 96249581 IDGNPVIJIHWEGP-GDBMZVCRSA-N 322.474 2.248 0 40 DEAB C[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)[C@H]1c1cccc(F)c1 245338625 NIPKZUCVZHTLTB-XHDPSFHLSA-N 323.393 2.331 0 40 DEAB CC1(C)[C@H](N[C@@H]2CCN(c3ccccc3)C2=O)[C@@H]2CCO[C@H]21 252587146 VVHHGIRHDJVRCF-ZJIFWQFVSA-N 300.402 2.195 0 40 DEAB NC(=O)c1cnc([C@H]2CCCCN2Cc2cncs2)s1 257216826 CWFXYJXZWHEYMN-SNVBAGLBSA-N 308.432 2.426 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@H]2NCCCC[C@@H]21 257268726 MMXKIXJACASCPB-CVEARBPZSA-N 302.418 2.371 0 40 DEAB CNc1cc(C)nc([C@@H]2CN(Cc3cscn3)CCO2)c1 257247429 IYZRCHFPYLSEPQ-HNNXBMFYSA-N 304.419 2.462 0 40 DEAB Cc1nc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)co1 257262367 LLDJTHCXDBAXAR-MRXNPFEDSA-N 316.361 2.119 0 40 DEAB Cc1ncsc1-c1cc(C(=O)N2CCC(O)CC2)ccn1 257248219 JCRVHMNBAAGYPP-UHFFFAOYSA-N 303.387 2.110 0 40 DEAB CN1CCc2cc([C@@H](O)CNC(=O)c3ccsc3)ccc21 96362155 QLPLSHIRVZEMTM-HNNXBMFYSA-N 302.399 2.204 0 40 DEAB C[C@@H](C[S@@](C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 585140644 HWGHVVYALYOVJW-ZHCRCFNVSA-N 317.813 2.466 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC(Cc2ncc[nH]2)CC1 673481728 UVLDTIQNYUNGOC-UHFFFAOYSA-N 321.384 2.448 0 40 DEAB COc1ccccc1-c1cc(NC(=O)COCC2CC2)[nH]n1 58290527 VUCVMWQWAFECKI-UHFFFAOYSA-N 301.346 2.450 0 40 DEAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1ccc(C)cc1 69350546 GUCAVXNWSLGAOC-TZMCWYRMSA-N 306.431 2.425 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1cc(-c3ccccc3)no1)CC2 69969366 MXIOUGUHNBDFMH-AWEZNQCLSA-N 309.373 2.346 0 40 DEAB COCCOc1ccccc1C(=O)O[C@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C 97374526 POMKDYHZKWSLMH-NSHDSACASA-N 428.485 2.629 0 40 DEAB Cc1nc(CN2CCN(C[C@H](O)c3cccs3)CC2)cs1 85436955 IIJFLBVFSLNCQM-AWEZNQCLSA-N 323.487 2.364 0 40 DEAB Cc1cccc(CS(=O)(=O)N2CCCN(C3CCC3)CC2)c1 825219031 AOWDXPORLXZRJA-UHFFFAOYSA-N 322.474 2.385 0 40 DEAB Cc1cnc(CCNC(=O)Nc2nc3c(s2)CCC3)nc1 559685296 KEQKDZPPTFVNBB-UHFFFAOYSA-N 303.391 2.094 0 40 DEAB O=C(NCCc1ccccc1)[C@@H]1C=CCN1C(=O)c1ccco1 12182556 XFKFPNALZJCSHE-HNNXBMFYSA-N 310.353 2.019 0 40 DEAB O=C(CC1CCCC1)N1CCC[C@H]1c1ncc2c(n1)CCNC2 19292343 QUVVBGFQLNKFON-INIZCTEOSA-N 314.433 2.366 0 40 DEAB OCC[C@H]1CN2CCC[C@@H]2CN1Cc1ccnc2ccccc12 19376056 YIPPSCRSYYBKMC-SJORKVTESA-N 311.429 2.266 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19462867 YEHNQLLDSYZVOX-BXUZGUMPSA-N 311.385 2.285 0 40 DEAB Cc1ccc(SCCNC(=O)CSc2nncn2C)cc1 5349297 OYIHRMKXKREKNE-UHFFFAOYSA-N 322.459 2.124 0 40 DEAB COc1ccc(OC)c(-c2ccc(=O)n(Cc3ccccn3)n2)c1 5381011 CREQUPCWQHHVCL-UHFFFAOYSA-N 323.352 2.371 0 40 DEAB CCOc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2CS3)cc1F 575616023 LWFJFSUUUVADCF-VHSXEESVSA-N 317.407 2.103 0 40 DEAB O=C(Cc1ccc(Cl)cc1)N1CCN(c2cnsn2)CC1 585148834 KGIOGDBMTXWMEL-UHFFFAOYSA-N 322.821 2.083 0 40 DEAB FC(F)(F)c1ccnc(N2CC(c3nnc4ccccn34)C2)n1 2298210828 QLNQNESMMOYJEX-UHFFFAOYSA-N 320.278 2.142 0 40 DEAB CC[C@H](C)NC(=O)Cn1c(C2CCNCC2)cc2cccnc21 12222083 WGKJSUKTUXSOAY-ZDUSSCGKSA-N 314.433 2.418 0 40 DEAB C[C@H](NS(=O)(=O)N1CCOCC1)c1cccc2ccccc12 40040344 MSJJZMRFZLLENZ-ZDUSSCGKSA-N 320.414 2.067 0 40 DEAB C[C@H]1CCc2c(C(=O)NC[C@@H](C)N3CCOCC3)csc2C1 40074472 MWKMHEIDBGHNNF-QWHCGFSZSA-N 322.474 2.323 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](N2CCC(C(=O)O)CC2)C1 40447960 FKXWVKKGBCLYHB-CYBMUJFWSA-N 312.410 2.183 0 40 DEAB in-vitro NC(=O)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1Cl 100602635 NJTIDYBULLXBFW-AOOOYVTPSA-N 306.749 2.119 0 40 DEAB O=C(NCCCN1CCC(O)CC1)Nc1ccc(Cl)cc1 40555345 AFTXMDAMOSFBHF-UHFFFAOYSA-N 311.813 2.308 0 40 DEAB Cc1cccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)n1 20734801 VYJBJCCRSHBBTH-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69489346 FAYXMHNIRYKKKP-LUKYLMHMSA-N 324.465 2.046 0 40 DEAB CCCCO[C@H]1[C@@H]([C@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 4028131 KNYPSITXAJZDKY-RKQHYHRCSA-N 316.394 2.200 0 40 DEAB biogenic COC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCCC2 7786270 HSDGTUQCXPWITE-UHFFFAOYSA-N 322.430 2.448 0 40 DEAB CC(C)C[C@H](NC(=O)CSc1ccccc1)C(=O)N(C)C 32931672 SGKZVOIDAWXGFK-AWEZNQCLSA-N 308.447 2.398 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)c1nncn1C 46964389 WVTDISONWCPHOZ-WDEREUQCSA-N 305.407 2.484 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 41824083 OIAYWSZNODQORG-NWDGAFQWSA-N 305.403 2.429 0 40 DEAB Cn1cc(Cl)cc1C(=O)N(CCC(N)=O)Cc1ccccc1 53473607 YDMBGVKWIHMBEI-UHFFFAOYSA-N 319.792 2.196 0 40 DEAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 53573797 DRRULCPKFTXINA-HZSPNIEDSA-N 314.437 2.205 0 40 DEAB Cc1occc1-c1nnc(SCCc2ccccn2)n1N 23138513 BLBAZZJCUGKGIF-UHFFFAOYSA-N 301.375 2.290 0 40 DEAB Cc1c(F)cccc1NC(=O)Nc1ccc(S(N)(=O)=O)cc1 51354568 BGLDRLVWIBSQSF-UHFFFAOYSA-N 323.349 2.426 0 40 DEAB CCC(=O)N1CC[C@@H](NCc2cnc3cc(C)ccn23)[C@@H](C)C1 78897617 UZCZOMGKMSSBOO-GOEBONIOSA-N 314.433 2.379 0 40 DEAB O=C(CCSc1ccccc1)NCc1nnc2n1CCC2 54904338 OZMIKUAEDDLNTN-UHFFFAOYSA-N 302.403 2.023 0 40 DEAB Cc1cc(C(=O)NCCN2CCC[C@H](C)C2)nn1C(C)(C)C 55377514 DJRZXHYTLJAXHJ-ZDUSSCGKSA-N 306.454 2.408 0 40 DEAB CCc1cc(=O)n(CC(=O)N[C@H](C)CC)c(-c2ccccc2)n1 57527117 XPANYPFLABDCRU-CYBMUJFWSA-N 313.401 2.387 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@H]2CCCc3ccccc32)CC1 44402337 PJQXYSMVVUNZNQ-KRWDZBQOSA-N 300.402 2.187 0 40 DEAB CO[C@H](CNC[C@H]1CNc2cc(C)nn2C1)c1ccccc1 58294372 SHHSCVDUDCPEIY-GOEBONIOSA-N 300.406 2.211 0 40 DEAB C[C@@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccccn1)c1ccccc1 44946937 BFDLSDUBUKGVON-CHWSQXEVSA-N 318.398 2.121 0 40 DEAB COc1ccccc1OCCN(C)c1cc(Cl)nc(N)n1 44977151 UQNGSWRKNWZHRZ-UHFFFAOYSA-N 308.769 2.236 0 40 DEAB CCN(C(=O)CSc1nncn1CCOC)C1=CCCCC1 58328840 QSHVTJZBUAQXMY-UHFFFAOYSA-N 324.450 2.323 0 40 DEAB O=C(NCCCOC[C@H]1CCCO1)N1CCc2sccc2C1 45161096 VKGHOZLIBCXPCT-CQSZACIVSA-N 324.446 2.402 0 40 DEAB COc1ccc(C)cc1NC(=O)COC(=O)c1c(C)noc1C 3301111 JWCJNZMSUFKVGQ-UHFFFAOYSA-N 318.329 2.404 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 48290038 JWQMOWMICMHMDP-FZMZJTMJSA-N 320.364 2.137 0 40 DEAB COc1ccc(Cl)cc1S(=O)(=O)N1[C@@H](C)COC[C@H]1C 22259090 OMWUDKSUCSCEJL-AOOOYVTPSA-N 319.810 2.147 0 40 DEAB O=C(c1cc(F)ccc1F)N1CCC(CN2CCOCC2)CC1 48363182 YBSVBOJTMWPZDX-UHFFFAOYSA-N 324.371 2.149 0 40 DEAB COc1cc(F)cc2sc(NC(=O)CCn3cncn3)nc12 69594703 YQIDBUSWJGPDDW-UHFFFAOYSA-N 321.337 2.064 0 40 DEAB Cc1cccc(OCC(=O)N[C@H](C(N)=O)c2ccccc2)c1C 8745315 VSZYGVNZYZSFEJ-KRWDZBQOSA-N 312.369 2.025 0 40 DEAB Cc1cc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)no1 8775380 CHYAVIXAUMIJGO-OAHLLOKOSA-N 324.340 2.127 0 40 DEAB COc1cc(CNC(=O)c2cc(C3CC3)on2)cc(OC)c1 65410542 SOBALIWYJHXODI-UHFFFAOYSA-N 302.330 2.499 0 40 DEAB COc1c(CNCc2cccc(CN(C)C)c2)c(C)nn1C 65536220 ZXALCCNOKJYCOK-UHFFFAOYSA-N 302.422 2.089 0 40 DEAB C[C@H]1OCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 92336335 ZSBKFTRVJVZSDL-CZUORRHYSA-N 321.392 2.415 0 40 DEAB Cn1c(S[C@@H]2CCCCNC2=O)nnc1-c1ccccc1 14244356 KOLUOKDLVQKFNP-GFCCVEGCSA-N 302.403 2.243 0 40 DEAB O=C1C[C@@H](NC2CCSCC2)CN1CCOc1ccccc1 90088704 DJXOKVMRBHRQLX-OAHLLOKOSA-N 320.458 2.152 0 40 DEAB NC(=O)CCSc1nnc(-c2ccccc2F)n1C1CC1 7203440 OTTGSBBNXXWXQE-UHFFFAOYSA-N 306.366 2.387 0 40 DEAB COC(=O)Cc1nnc(NC(=O)c2ccccc2Cl)s1 9349921 VIUOMJYTWJDTMB-UHFFFAOYSA-N 311.750 2.159 0 40 DEAB CNC(=O)c1ccc(NC(=O)CCc2c(C)noc2C)cc1 7524904 KZSIUIJXPFKLMN-UHFFFAOYSA-N 301.346 2.222 0 40 DEAB O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccccn1 8289984 KFAPARRSGOQFRZ-AWEZNQCLSA-N 313.382 2.201 0 40 DEAB CC(C)[C@H](NC(=O)N1CCC[C@H](C)C1)c1nnc2n1CCC2 70039144 XOJVQFDILDTPCQ-JSGCOSHPSA-N 305.426 2.363 0 40 DEAB Clc1cc(CNc2ncnc3[nH]cnc23)cc2c1OCCO2 69367174 XDIVUGNBKUNAHJ-UHFFFAOYSA-N 317.736 2.390 0 40 DEAB NC(=O)c1ccccc1NC(=O)CN1CCCc2ccccc21 17031980 KKOFFIVPPCLLLD-UHFFFAOYSA-N 309.369 2.177 0 40 DEAB O=C(Cn1ccccc1=O)N(Cc1ccccc1)CC(F)F 96432665 LFHBIGMVZHHHMI-UHFFFAOYSA-N 306.312 2.142 0 40 DEAB CC(C)(C)CN(CCCO)c1ncc(Br)cn1 84169834 NZFPULJJAGKZJE-UHFFFAOYSA-N 302.216 2.474 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@H](C)OCC2CC2)n1 71870246 QYFKBFAMAAIRIA-GOEBONIOSA-N 305.422 2.306 0 40 DEAB COC(=O)C(C)(C)CNC1CCN(c2nc(C)cs2)CC1 97081549 AYPQYSFFKBKOCL-UHFFFAOYSA-N 311.451 2.209 0 40 DEAB COCC(=O)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 97083269 YFYDWWLFQVOJMU-GFCCVEGCSA-N 303.280 2.252 0 40 DEAB O=S(=O)(N1CCCC1)N1CCCc2cc(Cl)ccc21 72297040 UMIDHJUNCHOHSJ-UHFFFAOYSA-N 300.811 2.433 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)Cc1c(C)noc1C)C2 72292192 FJTBXUPUTYBKDW-QMTHXVAHSA-N 316.405 2.106 0 40 DEAB Cc1ccc(NC(=O)N2CCCN(C(=O)C(C)C)CC2)nc1 97107631 OEBLMIXFFJGKEI-UHFFFAOYSA-N 304.394 2.112 0 40 DEAB CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2cccc(Cl)c2)C1 72314132 STLPZGDVQPMMOP-VXGBXAGGSA-N 302.779 2.463 0 40 DEAB C[C@H](NC(=O)CN(CCO)Cc1ccsc1)c1ccco1 84661234 ABXIVUJRQZCWDW-LBPRGKRZSA-N 308.403 2.013 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C(=O)O)C(C)(C)C)c1 95424679 PVNQEGJDHKYARO-BXUZGUMPSA-N 321.373 2.272 0 40 DEAB Cc1ccc(OCCn2cncn2)c(C(=O)Nc2ccncc2)c1 95410628 OENXEBYPTRBFIE-UHFFFAOYSA-N 323.356 2.313 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(Br)cc2F)CCN1 88058957 KQVWSNQAJAXWFB-QMMMGPOBSA-N 301.159 2.022 0 40 DEAB Cc1cc(S(=O)(=O)NCc2cccc(N)c2)c(F)cc1F 95944665 CRRWUJWDEKQLJS-UHFFFAOYSA-N 312.341 2.334 0 40 DEAB COC[C@H]1CCCN(C(=O)NCc2nccn2CC(C)C)C1 74534361 REGHTGZCYKSMFE-AWEZNQCLSA-N 308.426 2.107 0 40 DEAB CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCn2cccc2[C@H]1C 74838513 DPWMPXRJVBWOOU-QWHCGFSZSA-N 307.394 2.162 0 40 DEAB C/C=C/c1ccc(OCC(=O)NC(C)(C)C(=O)OC)c(OC)c1 23152406 VIVVPEINCNIUJN-VOTSOKGWSA-N 321.373 2.175 0 40 DEAB Cc1cccn2c(CN[C@H](C)c3nnc4n3CCCC4)cnc12 89700464 FSZDBFFTDSFRBL-CYBMUJFWSA-N 310.405 2.421 0 40 DEAB O=C(CNc1nc(C2CC2)ns1)N1CCc2sccc2C1 89885383 YTUGEMRDXGHVNG-UHFFFAOYSA-N 320.443 2.474 0 40 DEAB c1cc(CN2CCN(c3ncnc4c3CCCC4)CC2)ccn1 129103149 ZTICEZPDSTVJJJ-UHFFFAOYSA-N 309.417 2.073 0 40 DEAB CCc1ccccc1-n1c(C)cc2c(cnc3ncnn32)c1=O 38783930 VNHXQTWROZXXQS-UHFFFAOYSA-N 305.341 2.299 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)C(C)(C)Oc1cccc(Cl)c1 79034314 IQAXCWKGSWOIOJ-NSHDSACASA-N 322.796 2.294 0 40 DEAB COCCNC(=O)NC[C@](C)(O)c1cc2ccccc2s1 217521064 JXCHKPHVCNPXSD-HNNXBMFYSA-N 308.403 2.054 0 40 DEAB CC(C)N1CCC(c2cnc(CCC(=O)N(C)C)cn2)CC1 72366408 LOEMASSNUOXIOO-UHFFFAOYSA-N 304.438 2.085 0 40 DEAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCOCC1 38832726 PBIMCSUCZNLMJD-OAHLLOKOSA-N 322.836 2.411 0 40 DEAB O=c1c(I)c[nH]c2c(F)cc(F)cc12 72207181 BJXQNGBWBPOPNS-UHFFFAOYSA-N 307.037 2.411 0 40 DEAB Cc1c(C(=O)NC[C@]2(O)CCCNCC2)sc2ccccc12 72148154 SEFMBSCRZFXFSF-KRWDZBQOSA-N 318.442 2.444 0 40 DEAB Cc1ccsc1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 76384168 LXIDWCBHIYMGFI-MNOVXSKESA-N 301.433 2.142 0 40 DEAB Cc1cc(C)cc(NC(=O)C(=O)NCc2ccccc2CO)c1 78978998 KKYBRRVPULFORG-UHFFFAOYSA-N 312.369 2.051 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1cncc(C)c1)C[C@H]2O 189786780 WSDJFLZFVLMICZ-OAHLLOKOSA-N 314.385 2.456 0 40 DEAB Oc1cccnc1NC(=S)NCc1ccc2c(c1)OCO2 224044899 PXJAWPIEVQBPQN-UHFFFAOYSA-N 303.343 2.003 0 40 DEAB COc1ccc(C(=O)N2CCC(CCC(=O)O)CC2)cc1OC 320672902 SOAOCNPJFCZGTM-UHFFFAOYSA-N 321.373 2.421 0 40 DEAB CON(Cc1ccccc1)C(=O)C(=O)Nc1c(F)cccc1F 134785314 YZHSDOZFEXHOHZ-UHFFFAOYSA-N 320.295 2.494 0 40 DEAB CCC[C@@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 13717364 MJVBNDWXJCZTPB-GFCCVEGCSA-N 302.374 2.368 0 40 DEAB CC1(C)C[C@H](CNC(=O)c2cccc3oc(O)nc23)CCO1 573505202 BEAKOXNZIBXNML-SNVBAGLBSA-N 304.346 2.468 0 40 DEAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2cccn2C)o1 96064016 PNIPIXVUEFRBCT-JKSUJKDBSA-N 313.401 2.416 0 40 DEAB COc1ncc(NCc2csc(C(C)C)n2)cc1C(N)=O 96494363 JRZGILRLUBRSAY-UHFFFAOYSA-N 306.391 2.381 0 40 DEAB COc1ccc(F)cc1CN1CCc2ncnc(OC)c2C1 97202198 ALSOSOANOAZAEN-UHFFFAOYSA-N 303.337 2.191 0 40 DEAB COCC[C@H]1CO[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96222188 OAWXNECMEAIZNS-AEFFLSMTSA-N 318.417 2.058 0 40 DEAB COc1ccc(NC(=O)N2CC3(CCCC3)[C@@H]2C(C)C)nn1 578849244 XQHGIJNEFMDNHI-AWEZNQCLSA-N 304.394 2.918 0 40 DEAB O=C(c1ccco1)N1CCC2(CC1)Cc1ccccc1CNC2=O 96161274 WPBZJXYSXIBZIK-UHFFFAOYSA-N 324.380 2.375 0 40 DEAB O=C(NCC(F)(F)F)N1CCC[C@@H](c2nncn2C2CC2)C1 91627240 GTLHSIAMSZPWHQ-SECBINFHSA-N 317.315 2.064 0 40 DEAB C[C@H](NC(=O)CCc1cnn(C)c1)c1cccc(-n2ccnc2)c1 96432122 DKWMIPFQPVMFOR-AWEZNQCLSA-N 323.400 2.416 0 40 DEAB CCN1C(=O)CCC12CCC(NC(=O)c1cc(C)on1)CC2 96228539 CDJBBSHAYCWXKT-UHFFFAOYSA-N 305.378 2.037 0 40 DEAB CC(C)c1cc(C(=O)N2CCN(C)CC2)n(-c2ccccc2)n1 95479965 QHCFEOJUBKZCLR-UHFFFAOYSA-N 312.417 2.383 0 40 DEAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)Cc2ccsc2)[C@H]1O 257229644 FYXGWTHHINQTRB-IIAWOOMASA-N 319.430 2.066 0 40 DEAB Cc1ccnc([C@]2(C)CCCN2S(=O)(=O)c2ccccc2)n1 257223023 DVOFEKIYBDLSOU-INIZCTEOSA-N 317.414 2.485 0 40 DEAB COc1ccc(C2(C(=O)N3CC[C@@H](c4ccn[nH]4)C3)CC2)cc1 257218294 DCOKMQQDKYXHPY-CYBMUJFWSA-N 311.385 2.466 0 40 DEAB Cc1nc(C(C)(C)C)sc1C(=O)NCc1nccc(N)n1 269528829 MLKOLRSFNMRUKM-UHFFFAOYSA-N 305.407 2.051 0 40 DEAB CC(C)[C@@H](NCC(=O)N1CCCCC1)[C@@H](O)c1ccccc1 390834629 JLESNJIVHSFKKF-MSOLQXFVSA-N 304.434 2.347 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575405747 ZRGMOLSSPHTBFN-YUELXQCFSA-N 318.442 2.341 0 40 DEAB O=C(/C=C/c1ccccc1F)NCCCCN1CCOCC1 48284610 GXCOSDFIRPQPMG-BQYQJAHWSA-N 306.381 2.068 0 40 DEAB Cc1cn2nc(N3CCCC[C@H]3Cn3cccn3)sc2n1 72276476 GHZPTNRHPHTEJE-LBPRGKRZSA-N 302.407 2.355 0 40 DEAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)NC(=O)NC1CCCC1 97373456 LDDDHSBWVNMADP-UHFFFAOYSA-N 408.574 3.912 0 40 DEAB O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCOCC1 79642828 WSGZSMKGBJVCGL-UHFFFAOYSA-N 303.362 2.114 0 40 DEAB OC[C@@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 195544956 CBTQEXUQLSGJHV-BXUZGUMPSA-N 314.223 2.187 0 40 DEAB Cc1cc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)no1 12820182 YELIUGLQDCQHNZ-UHFFFAOYSA-N 313.313 2.209 0 40 DEAB CN(Cc1cc(Cl)cn1C)C(=O)NO[C@@H]1CCCCO1 166942228 WGBJDUMDNYOOOD-GFCCVEGCSA-N 301.774 2.278 0 40 DEAB CCOC(=O)CS[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O 16899701 WVBPTKCBHBTLGP-LBPRGKRZSA-N 321.398 2.232 0 40 DEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NCc1cccs1 6059926 DARUGLMBAUENPZ-UHFFFAOYSA-N 324.789 2.457 0 40 DEAB CC(C)(C)c1ccc(N2C[C@@H]3CN(C(=O)C4CC4)C[C@H]3C2)nn1 1888844579 KCOHDCQHMOGPJV-ZIAGYGMSSA-N 314.433 2.079 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1Cl 30334999 CGHCVHHCORMWOM-VHSXEESVSA-N 319.810 2.147 0 40 DEAB COc1cccc2cc(C(=O)N3CC(N4CCCC4)C3)oc12 898613291 AGXRRPPWKOAOKP-UHFFFAOYSA-N 300.358 2.362 0 40 DEAB C[C@H]1CC[C@@H]2C(=O)N([C@@H](CC(=O)O)c3ccco3)C(=O)[C@@H]2C1 4126833 WWVINSFHAZLOQY-YFKTTZPYSA-N 305.330 2.217 0 40 DEAB Cn1cnc2c(NC[C@@](O)(c3ccccc3)C3CC3)ncnc21 1775972046 AGORFHSSRUFJFO-QGZVFWFLSA-N 309.373 2.073 0 40 DEAB C[C@](O)(CNc1ncnc2ncccc12)Cc1ccsc1 1775970147 DFIVJURSOKJGFU-OAHLLOKOSA-N 300.387 2.492 0 40 DEAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](Oc2cccnn2)C1 225414201 ATFSCDIRHRJWTB-AWEZNQCLSA-N 308.341 2.251 0 40 DEAB O=C(Cn1nc2ccc(Cl)nn2c1=O)c1ccc(Cl)cc1 20031890 JVGVAPWTGIMOJD-UHFFFAOYSA-N 323.139 2.081 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)c2cccc[n+]2[O-])c1 40536435 UCODPPAWHQIXDK-UHFFFAOYSA-N 302.330 2.370 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(OC(F)F)c1 40541008 BWUIJAJTJCPOBG-CABZTGNLSA-N 312.316 2.389 0 40 DEAB Cc1nn(C)c(Cl)c1CN1CCCC[C@@H]1Cn1cncn1 69700160 ILCAJYNZFZFZMS-GFCCVEGCSA-N 308.817 2.028 0 40 DEAB CCOC(=O)[C@H](NC(C)=O)[C@H](O)c1ccc(Cl)cc1Cl 1714341 XKTPQGLAWZCSQQ-VXGBXAGGSA-N 320.172 2.095 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)NCc2cccnc2N(C)C)c1C 32686824 JYPBFYJFKQGBCZ-UHFFFAOYSA-N 314.389 2.225 0 40 DEAB COc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1 3537772 HTKCGAKOIFOLSM-UHFFFAOYSA-N 316.338 2.122 0 40 DEAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc(=O)[nH]c1 52398281 HGBFHGOHHLUOFD-UHFFFAOYSA-N 311.385 2.247 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)cn1 69841544 PBCNRLACKFYMNQ-GOEBONIOSA-N 324.384 2.210 0 40 DEAB Cc1ccc(C(C)C)c(OCC(=O)N2CCC(C(N)=O)CC2)c1 33002171 CLIQQQOVSYCHJL-UHFFFAOYSA-N 318.417 2.221 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1 8081649 QQJZOTOTYUNZRD-LBPRGKRZSA-N 324.446 2.436 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1nccnc1N 8724040 FXUVTVMDGIUYIV-SNVBAGLBSA-N 324.340 2.277 0 40 DEAB COc1ccc(CN(C)C(=O)Cc2c(C)nn(C)c2C)cc1F 22130911 NPZRGNRICVCRRZ-UHFFFAOYSA-N 319.380 2.386 0 40 DEAB Cc1nc(CN2CCC[C@@H](N(C)Cc3nc(C)c(C)o3)C2)no1 71870539 HIHMWBAFJFBJJB-CQSZACIVSA-N 319.409 2.079 0 40 DEAB O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@H]21 71834684 DIBWGRYEPZPOTH-HZPDHXFCSA-N 312.369 2.312 0 40 DEAB Cc1ccc(CN2CCC3(CC(NS(C)(=O)=O)C3)C2)cc1C 108525441 NGUQQMMLXHBQSO-UHFFFAOYSA-N 322.474 2.207 0 40 DEAB CCN1CCC[C@@H]1CNC[C@@H](O)COc1c(C)ccc(C)c1C 22921011 XBKYGHLSVYDCGL-QZTJIDSGSA-N 320.477 2.425 0 40 DEAB CS(=O)(=O)N1CCCC[C@H]1C(=O)NC1CCCCCCC1 24600717 HWKWYNSZCHMKBE-AWEZNQCLSA-N 316.467 2.030 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCCN(C(N)=O)C1)c1ccc(Cl)s1 25275838 QNYZRLMBIMSGIR-DTWKUNHWSA-N 315.826 2.369 0 40 DEAB CCC(C)(C)NC(=O)c1ccc(NC(=O)NCCOC)cc1 47810933 ANLKHWCJVFHPNW-UHFFFAOYSA-N 307.394 2.373 0 40 DEAB Cc1c(C)c(C)c(S(=O)(=O)NCCn2ccnc2)c(C)c1C 25673290 YUWNBLYTXVZDID-UHFFFAOYSA-N 321.446 2.404 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)[C@H](C(N)=O)c1ccccc1 26161531 FSLFCWOAGGVKGV-KRWDZBQOSA-N 312.369 2.116 0 40 DEAB COC(=O)[C@@]1(C)[C@H]2C=C[C@H]3C2C2[C@H]1C=C[C@H]2[C@]3(C)C(=O)OC 101037114 TVORUACKVGFVBB-CEYCLLSQSA-N 302.370 2.209 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1CCOc1ccc(F)cc1 35334073 ROTJHWVYSMFHAT-QGZVFWFLSA-N 314.360 2.117 0 40 DEAB Cn1ccnc1Sc1cc(C(F)(F)F)nc2ncnn12 76426533 IXNPZVPVPZTQTO-UHFFFAOYSA-N 300.269 2.028 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@H]1CC(=O)OC12CCCCC2 57355682 HALYUOQXYUFDGL-GFCCVEGCSA-N 305.378 2.241 0 40 DEAB CCCN(CCN(C)C)C(=O)CCCc1nc(C(C)(C)C)no1 78710685 JBGGXNNIGZLJBI-UHFFFAOYSA-N 324.469 2.490 0 40 DEAB NC(=O)C1CCN(C(=O)NC[C@@H]2CCCc3ccccc32)CC1 45041392 HUVSLNXZDNXKCR-HNNXBMFYSA-N 315.417 2.013 0 40 DEAB COC[C@H](C)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 58407535 OEFYRIRTSWSSRE-ZDUSSCGKSA-N 313.401 2.468 0 40 DEAB c1coc(CN(Cc2cccs2)c2ccc3nnnn3n2)c1 13016545 NQQAZGDJOZBYDL-UHFFFAOYSA-N 312.358 2.381 0 40 DEAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13263075 QAAHFDIAOPVUER-CYBMUJFWSA-N 311.403 2.295 0 40 DEAB Cc1ccc(C)n1-c1sccc1C(=O)N[C@H]1CCCNC1=O 64098761 WNNFVVYEFAUEPX-ZDUSSCGKSA-N 317.414 2.164 0 40 DEAB S=C(NCc1ccccc1)NNC(=S)NC1CCCCC1 6282191 OVZRHEJCKBVCLZ-UHFFFAOYSA-N 322.503 2.363 0 40 DEAB O=C1c2cccnc2CN1[C@@H](CCn1cncn1)c1ccccc1 65424777 GVKFZCVOCVUISY-KRWDZBQOSA-N 319.368 2.461 0 40 DEAB CCc1nnc2n1CCN(C(=O)CCCc1cccs1)C2 71185606 FSCOGPPEMGWZME-UHFFFAOYSA-N 304.419 2.267 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)Nc1cccc(F)c1 6916791 YCXUYONUOKUCQN-UHFFFAOYSA-N 315.347 2.475 0 40 DEAB CCOC(=O)c1c[nH]c2c(C)cc(C)cc2c1=NCCCO 5958487 RVNCHCLPVCBSDS-UHFFFAOYSA-N 302.374 2.245 0 40 DEAB C[C@@H](CNC(=O)c1csnn1)c1nc(-c2ccccc2)no1 90013600 GMAKFIZZSIITHE-VIFPVBQESA-N 315.358 2.122 0 40 DEAB CS[C@@H]1CCCC[C@H]1NCC(C)(C)N1CCS(=O)CC1 90114316 ZIVPYHIFFIIAHD-ZIAGYGMSSA-N 318.552 2.093 0 40 DEAB CCOc1ccccc1CN1C(=O)c2ccccc2S1(=O)=O 7605840 YSFYAYIGROHZON-UHFFFAOYSA-N 317.366 2.430 0 40 DEAB Cc1noc(N)c1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 16326971 VAXJKIWIHFENOL-VIFPVBQESA-N 313.313 2.475 0 40 DEAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 7979424 HWTVYWVFOWWESR-LBPRGKRZSA-N 322.368 2.128 0 40 DEAB in-vitro CS(=O)(=O)C[C@@H](NC(=O)N[C@H]1C=CCCC1)c1ccccc1 91228406 XXEGWNSBBFWOAY-LSDHHAIUSA-N 322.430 2.180 0 40 DEAB CCc1ncc(C(=O)N2CCn3c(nnc3C(C)C)C2)s1 70010688 WUVDYCXGCWAEIT-UHFFFAOYSA-N 305.407 2.076 0 40 DEAB O=C1CC[C@]2(C(=O)NCc3ccc(Cl)cc3)SCCN12 9478259 IOWSVVJPEHHUMN-CQSZACIVSA-N 310.806 2.022 0 40 DEAB Cc1cnn(CC2CC2)c1NC(=O)c1ccc(-n2ccnc2)nc1 69538944 WGBZXFBNGAFFIL-UHFFFAOYSA-N 322.372 2.435 0 40 DEAB CCN(CC)c1ccc(NS(=O)(=O)c2cccnc2)cn1 69581730 XWFQWRZXVNOXDA-UHFFFAOYSA-N 306.391 2.124 0 40 DEAB O=C(Cc1coc(-c2cccs2)n1)Nc1ccc[nH]c1=O 69519059 QGSRGFFEDAYBJF-UHFFFAOYSA-N 301.327 2.273 0 40 DEAB O=C1C[C@@H](C(=O)N2CCCc3ncccc32)CN1c1ccccc1 69622080 IFRWUJUWBBUKDN-CQSZACIVSA-N 321.380 2.414 0 40 DEAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc2c1OCO2 78898522 CHTZXUVZYVCDIJ-SWLSCSKDSA-N 316.401 2.152 0 40 DEAB Cc1nc(CN2CCO[C@H](c3nc(C(C)C)n[nH]3)C2)oc1C 78893167 PETPUDIWOUZZFT-LBPRGKRZSA-N 305.382 2.106 0 40 DEAB CCc1nsc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n1 97047862 LJORHCUPTVFVBP-LLVKDONJSA-N 305.407 2.076 0 40 DEAB CCS(=O)(=O)Nc1cc(F)ccc1Sc1nccn1C 97098482 XNHRSMOLSMKUIC-UHFFFAOYSA-N 315.395 2.472 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1ccc3c(c1)CC(C)(C)O3)CC2 72274444 JNDVJNISBWBONX-OAHLLOKOSA-N 312.417 2.405 0 40 DEAB CC[C@@H]1CN(CCOc2ccccc2C)CCN1C[C@@H](C)O 72267427 PMWIUKHJPSCSNG-IAGOWNOFSA-N 306.450 2.151 0 40 DEAB Cc1cc(C)c(CNC(=O)N2CCc3ccccc3C2)c(=O)[nH]1 72305688 AJHBJYKTZKJQIY-UHFFFAOYSA-N 311.385 2.260 0 40 DEAB O=C(CCn1cncn1)N[C@H]1CCCC[C@H]1Oc1ccccc1 95396734 OFNBVUISECRLPW-JKSUJKDBSA-N 314.389 2.175 0 40 DEAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1ccc2cc[nH]c2c1 95473318 SPFQCFQRPWJTCB-UHFFFAOYSA-N 318.340 2.325 0 40 DEAB O=C(COc1ccc(Cl)cc1)NC[C@@H]1CCN(C2CC2)C1 73842733 ABSWGEIBKGMTLR-LBPRGKRZSA-N 308.809 2.319 0 40 DEAB CCOc1cccc(NC(=O)N2CC[C@H](CN3CCCC3)C2)n1 95943373 QHUTTWZWQNOXBO-CQSZACIVSA-N 318.421 2.430 0 40 DEAB C[C@H](CNC(=O)CCc1ccccc1Br)C(=O)O 95970584 JXCNHAPUMQYADM-SECBINFHSA-N 314.179 2.219 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)N1CC[C@H](CCO)C1 89548132 MCYZRXPJELPILU-GFCCVEGCSA-N 304.346 2.016 0 40 DEAB Cc1nn(C)c(C)c1CNC(=O)c1cccc(Cn2cccn2)c1 28230966 YYKBPDKMXYOLAJ-UHFFFAOYSA-N 323.400 2.212 0 40 DEAB COc1ccccc1CNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 170387836 LFRKPJOAMBQZDX-GXTWGEPZSA-N 304.390 2.006 0 40 DEAB C[C@@H]1CN([C@H](C)CNC(=O)CCc2cccs2)C[C@@H](C)O1 32828472 HVOWXKVXEQWBGK-MGPQQGTHSA-N 310.463 2.295 0 40 DEAB COC(=O)c1ccc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1 62001630 UZAHARYZRYRNPW-LPHOPBHVSA-N 322.364 2.398 0 40 DEAB biogenic O=C(Nc1nccs1)C1CCN(c2ccc(Cl)nn2)CC1 31872913 KJXSKTQNOZTKFD-UHFFFAOYSA-N 323.809 2.442 0 40 DEAB O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2ccncc2)C1 121164805 LHMKHIPHEQIVOH-INIZCTEOSA-N 316.332 2.279 0 40 DEAB O=S(=O)(C1=Cc2ccccc2OC1)N1CCc2cnccc21 188084460 HTPYSUTZYREZSB-UHFFFAOYSA-N 314.366 2.207 0 40 DEAB Cc1cc(C)n(-c2ccc(NC[C@H]3CCCC[C@H]3O)nn2)n1 77237612 UZUVVJZUOCINHT-ZIAGYGMSSA-N 301.394 2.242 0 40 DEAB Cc1ccc(-c2cc(C)nc(C3CN(S(C)(=O)=O)C3)n2)cc1 72360743 GHMJTAXEMBXNQK-UHFFFAOYSA-N 317.414 2.119 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)no1 72239756 SIOPDYKNUARGNJ-NSHDSACASA-N 305.359 2.174 0 40 DEAB O=C(Nc1ccccc1C(F)(F)F)c1nc2ncccn2n1 36618685 WQKRTYGKMAUVPA-UHFFFAOYSA-N 307.235 2.395 0 40 DEAB O=C(Cn1cccn1)NCCCO[C@@H]1CCCc2ccccc21 70873922 APFZJSVPRXSAAR-QGZVFWFLSA-N 313.401 2.484 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 79311230 DWKSDAJYEURIDL-SNVBAGLBSA-N 314.311 2.094 0 40 DEAB CN(C(=O)c1cccc(F)c1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 76501913 YPPGHLDUKBYFGE-KGLIPLIRSA-N 313.394 2.254 0 40 DEAB O=C(CS(=O)(=O)c1nccs1)Nc1cccc(Cl)c1 78556398 OUVFZZYKJDMDAB-UHFFFAOYSA-N 316.791 2.209 0 40 DEAB NCCN1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 79391022 CVRHMSWNVOTJCP-UHFFFAOYSA-N 317.433 2.211 0 40 DEAB CC(C)(C)C(=O)Nc1ccc(OCCN2CCOCC2)cc1 225592074 ZULILYKMDNEUJW-UHFFFAOYSA-N 306.406 2.382 0 40 DEAB O=C(CCc1ccccc1)NCC1CCN(c2ncccn2)CC1 43976858 KTHQVZBJNCGNHX-UHFFFAOYSA-N 324.428 2.442 0 40 DEAB C[C@H]1NC(=O)CC[C@@H]1Nc1cc(OCc2ccccc2)ncn1 570662559 MMDSYCYLFYQTFI-OCCSQVGLSA-N 312.373 2.135 0 40 DEAB C[C@H]1CN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)C[C@@H](C)O1 226747412 RYAFSGXMRVMEKE-BWACUDIHSA-N 320.364 2.345 0 40 DEAB COC(=O)[C@@H](F)CN1CCC(OCc2ccc(F)cc2)CC1 225467931 FBCSMSFLTWHTTM-HNNXBMFYSA-N 313.344 2.318 0 40 DEAB CC(C)c1cc(N2CC[C@@H](C)[C@@H](C(=O)O)C2)nc(N(C)C)n1 573445693 QRCGICCVGLFXQW-NEPJUHHUSA-N 306.410 2.213 0 40 DEAB C[C@@H](SCCC(=O)OC(C)(C)C)C(=O)Nc1ncccn1 225642203 RNIGSXWBXIWHFD-SNVBAGLBSA-N 311.407 2.269 0 40 DEAB O=c1c(Br)n[nH]c2c(Br)cccc12 225743148 LDIDVQMXIHSLPA-UHFFFAOYSA-N 303.941 2.448 0 40 DEAB CS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccccc1F 96532163 DTRUYNYBFAFWBA-UHFFFAOYSA-N 311.363 2.416 0 40 DEAB Cc1cccc(CN2C[C@@H]3CN(C(=O)c4ccco4)C[C@@H]3C2=O)c1 96245292 CGHUVSMAJGHKKV-CVEARBPZSA-N 324.380 2.319 0 40 DEAB CCN(CC)c1ncc(CN2CCCC3(C2)OCCO3)s1 97377040 LPXHWVXFKODXDH-UHFFFAOYSA-N 311.451 2.328 0 40 DEAB CC(C)c1ccc(CCNC(=O)NCCC[S@@](C)=O)cc1 96408726 RBHQIDFRXMBFAV-NRFANRHFSA-N 310.463 2.420 0 40 DEAB COCc1nnc(NC(=O)c2ccc3[nH]c(C)nc3c2)s1 95474156 OGXILHOPUZIJSK-UHFFFAOYSA-N 303.347 2.122 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)[C@H]1C[C@H]1c1ccco1 96446849 ATZTVIKHFCHNNE-KGLIPLIRSA-N 305.374 2.433 0 40 DEAB COc1ccc(-n2cc(CNC(=O)[C@H]3CC=CCC3)nn2)cc1 96461601 NGYIIOCPSKMJTH-ZDUSSCGKSA-N 312.373 2.248 0 40 DEAB CC[C@](Br)([C@@H](O)c1ccccc1)S(C)(=O)=O 96521459 JIOOKOYVHRJDGT-WDEREUQCSA-N 307.209 2.266 0 40 DEAB C[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)[C@H]1c1cccc(F)c1 245338624 NIPKZUCVZHTLTB-IAQYHMDHSA-N 323.393 2.331 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2cnn(C)c2C)n1 257331795 XUHFZYUQBFHICL-AWEZNQCLSA-N 301.394 2.056 0 40 DEAB O=C(c1cccc(-c2cncnc2)n1)N1CCC(F)(F)CC1 257279752 OIALKQDUYALYAS-UHFFFAOYSA-N 304.300 2.410 0 40 DEAB CNc1cccc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257206404 BDGAGMWMUNVMSX-AWEZNQCLSA-N 317.414 2.327 0 40 DEAB Cc1nsc(NC(=O)Cc2c(C)nn(C(F)F)c2C)n1 266380235 KEAHQURDOFEBTR-UHFFFAOYSA-N 301.322 2.236 0 40 DEAB C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 261637972 DPPMAGNINDKTAE-LWWSYDQCSA-N 321.348 2.305 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260529529 DHOGJTUTMFDBHP-AEGPPILISA-N 323.414 2.081 0 40 DEAB Cc1ccoc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 585099011 AXIKHNAFCDCJOR-HNNXBMFYSA-N 315.373 2.236 0 40 DEAB CS[C@@H](C)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 44952222 KGIKAMRPSPQQBA-NWDGAFQWSA-N 308.451 2.420 0 40 DEAB Cc1ccc(NC(=O)NCCNC(=O)C(C)C)c2cccnc12 58086278 QJQFWKHLDNRYPH-UHFFFAOYSA-N 314.389 2.437 0 40 DEAB Cc1cc(C)n(C2CN([C@@H](C(=O)NC3CC3)c3ccccc3)C2)n1 69534803 POWAMFXERGGFCU-GOSISDBHSA-N 324.428 2.377 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC(Nc2cnccn2)C1 952964439 AWGGHGFNBMJNRJ-UHFFFAOYSA-N 318.764 2.075 0 40 DEAB COc1ccc(S(=O)(=O)Nc2nc(C)cs2)cc1OC 11615634 GHEWNLSIQWMFGH-UHFFFAOYSA-N 314.388 2.270 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCCCCCC1 12889195 RYTAOMJBPJUMAD-UHFFFAOYSA-N 324.446 2.485 0 40 DEAB Cc1cccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)c1 14405816 RANVKLZLBBVPBU-UHFFFAOYSA-N 321.340 2.223 0 40 DEAB COC(=O)C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1CC(C)C 17877320 UQPXLDRCFBNXBW-CYBMUJFWSA-N 320.414 2.208 0 40 DEAB CCOC(=O)[C@@H](Sc1nc(C)cc(=O)[nH]1)c1ccccc1 12176523 GVHRSWKIBDENQH-ZDUSSCGKSA-N 304.371 2.475 0 40 DEAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)C1(c2ccc(F)cc2)CC1 245053491 OWLLJQGKJOLWEP-OWCLPIDISA-N 319.376 2.310 0 40 DEAB COCc1cncc2c1CCN(C(=O)c1cc(C3CC3)on1)C2 1565546368 ZGIHYGMIIPTXNZ-UHFFFAOYSA-N 313.357 2.292 0 40 DEAB CCO[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(CC)nc3)C2)C1 2055837525 YKGFGBDOCVQSHY-SJLPKXTDSA-N 318.417 2.444 0 40 DEAB O=C1CC(=O)[C@H](n2cncn2)[C@@H](c2c(F)cccc2Cl)C1 100927451 LWEPJVULZOFUOE-YMTOWFKASA-N 307.712 2.328 0 40 DEAB Cn1cc(/C=C/C(=O)NCCCOc2ccccc2F)cn1 32263498 RSFCHUOXCWEELF-BQYQJAHWSA-N 303.337 2.158 0 40 DEAB Cn1c(NN)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 198655 PMRRQUCLGBDBNN-QMMMGPOBSA-N 306.435 2.432 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O 102034971 NWWBRFKGESLTTG-ZIAGYGMSSA-N 312.369 2.193 0 40 DEAB Cc1ccc(-n2c3c(cc(C(N)=O)c2=O)C(=O)CC(C)(C)C3)cc1 2809799 UKXKUUMWTCLZTJ-UHFFFAOYSA-N 324.380 2.400 0 40 DEAB CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCc2ccccc21 4305171 MXWCCLSEVINFHJ-HNNXBMFYSA-N 320.414 2.323 0 40 DEAB Cc1ccc(C(N)=O)c(OCC(=O)N[C@H](C)c2ccccc2)c1 32866070 KBRHDZMRAXTTEY-CYBMUJFWSA-N 312.369 2.350 0 40 DEAB Cc1ccc(C(N)=O)c(OCC(=O)N[C@@H](C)c2ccccc2)c1 32866071 KBRHDZMRAXTTEY-ZDUSSCGKSA-N 312.369 2.350 0 40 DEAB COc1ccccc1CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6698535 AOGQGFFRBGBKEL-PKIAMQTDSA-N 303.358 2.058 0 40 DEAB CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 7688155 CHVUIBGFMGTIBA-LBPRGKRZSA-N 320.414 2.033 0 40 DEAB O=C(Nc1ccc(Cl)cc1)C1=CC(=O)N2CCN=C2S1 2727494 JEWADDJQHYUWOG-UHFFFAOYSA-N 307.762 2.107 0 40 DEAB Clc1ccc(-n2ncc3c(N4CCOCC4)ncnc32)cc1 544572 AVABPIFFHFBFHL-UHFFFAOYSA-N 315.764 2.306 0 40 DEAB CN(CC(=O)NOCc1ccccc1)c1ccc(Cl)cn1 53134519 VELIXWCEQTZQCB-UHFFFAOYSA-N 305.765 2.419 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@H]2CCSc3ccccc32)CC1 53492557 JKXIDJKSLCMWDS-ZDUSSCGKSA-N 319.430 2.130 0 40 DEAB O=C(NC[C@H](c1ccc2c(c1)OCO2)N1CCCC1)C1CC1 12197111 AHBBEBRKQAZBKZ-CQSZACIVSA-N 302.374 2.078 0 40 DEAB COc1ccccc1CCN(C)C(=O)c1ccc(C(N)=O)cc1 104456948 CMPWMOZRYFIQPT-UHFFFAOYSA-N 312.369 2.109 0 40 DEAB CNC(=O)[C@@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 54389305 JJQGQPBXAILTHC-NSHDSACASA-N 310.279 2.395 0 40 DEAB CCOc1ccc(S(=O)(=O)Cc2cccc(C(N)=O)c2)cc1 47640201 CYWJOUAXWBQOKG-UHFFFAOYSA-N 319.382 2.158 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1cccc(N2CCOCC2)c1 55151359 SLHRIHZHRZNZSZ-UHFFFAOYSA-N 320.389 2.353 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1 106661335 ALSHSQZXEMQYNU-IAGOWNOFSA-N 318.417 2.403 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2sc(C)nc2C)C1 56022519 SQOONERANVGXLY-ZWNOBZJWSA-N 309.435 2.196 0 40 DEAB O=C(Nc1c[nH]ccc1=O)[C@H]1CCCN(Cc2ccccc2)C1 57170811 IEDKERYFUOMTIV-HNNXBMFYSA-N 311.385 2.226 0 40 DEAB C[C@@H](Sc1ccccc1Cl)C(=O)NCCC(=O)N(C)C 58193946 DNHARXWMPMCVGO-SNVBAGLBSA-N 314.838 2.415 0 40 DEAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(N)=O)cc1 54534884 KDIDQBORETUPPD-UHFFFAOYSA-N 312.435 2.088 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)N1CCC(N2CCCCC2)CC1 58174915 DHOKYXDDWDJMQM-ZDUSSCGKSA-N 322.478 2.420 0 40 DEAB COc1ccc2c(c1)C[C@H](C(=O)NCc1ncc(C)s1)CO2 172709475 ATWUKKUMYUZDJL-LBPRGKRZSA-N 318.398 2.328 0 40 DEAB CCc1nc(NC(=O)[C@H](C)NC(=O)c2ccoc2)sc1C 44978238 DMJHZDGOOFTJRE-QMMMGPOBSA-N 307.375 2.364 0 40 DEAB O=C(c1ccccc1)c1cccc(NCC(=O)N2CCOCC2)c1 58377883 OBIBWYNPAUBOHV-UHFFFAOYSA-N 324.380 2.188 0 40 DEAB CCc1noc(C)c1C(=O)Nc1cccc(OCC(=O)OC)c1 24951028 CWOFRDLEXXBULH-UHFFFAOYSA-N 318.329 2.350 0 40 DEAB COc1cc(NC(=O)N2CCSCC2)ccc1NC(C)=O 48378777 BBMWMMJAFNGUIO-UHFFFAOYSA-N 309.391 2.234 0 40 DEAB CCOc1cc2c(cc1NC(=O)c1ccc[nH]c1=O)O[C@@H](C)C2 12823775 ZTBTXXHXZBANHL-JTQLQIEISA-N 314.341 2.349 0 40 DEAB COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC(C)=O 13058319 YOHFDWXLRVTNNR-UHFFFAOYSA-N 320.370 2.454 0 40 DEAB Cc1noc([C@@H](C)N2CCN([C@H](C)c3cccnc3)CC2)n1 69433490 XSAVRBABSRFSFT-CHWSQXEVSA-N 301.394 2.213 0 40 DEAB C[C@H](Cn1cccn1)N[C@H](C)C(=O)NCCC1=CCCCC1 69434634 OOMALDWFQAHTGC-HUUCEWRRSA-N 304.438 2.256 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N1CCCN2CCC[C@@H]2C1 69420992 AONSGGKUSKOITH-QGZVFWFLSA-N 324.428 2.491 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCOc1ccc(F)cc1 65540778 MOBBHKAHHROOPH-OLZOCXBDSA-N 322.380 2.097 0 40 DEAB Cc1nsc(N)c1C(=O)OCc1nc(-c2ccccc2)no1 8544480 RPWNXUKCCZMPRZ-UHFFFAOYSA-N 316.342 2.441 0 40 DEAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 14184703 PNIMMTWLUURZEH-SSDOTTSWSA-N 308.186 2.367 0 40 DEAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6553583 WPOIGKQVOLURGO-NSHDSACASA-N 322.368 2.246 0 40 DEAB 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307.785 2.354 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCO[C@H]2CCC[C@H]21 71822669 NYNAENLKSQFVHX-SJORKVTESA-N 311.385 2.195 0 40 DEAB O=C(COC[C@@H]1CCCO1)N[C@@H]1CCCN(C2CCCCC2)C1 71890876 MXFMRWLJLSUSRB-WBVHZDCISA-N 324.465 2.095 0 40 DEAB CCNC(=O)c1ccc(OCC(=O)N2CCC(C)CC2)cc1 78758086 WQUKVKXWHAAHIV-UHFFFAOYSA-N 304.390 2.074 0 40 DEAB C[C@@H](NCc1nc(C(C)(C)C)no1)c1nnc2ccccn12 97111389 FMSBNZOZJMUMNL-SNVBAGLBSA-N 300.366 2.261 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)Cn2ccccc2=O)C12CCCCC2 78993958 CWEVCZHABLGSPN-CABCVRRESA-N 318.417 2.092 0 40 DEAB C[C@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)CC1(C)OCCO1 84637143 QLCSOVVFFDSRHV-ONGXEEELSA-N 310.221 2.476 0 40 DEAB Cc1nc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)oc1C 95418419 AIVFTDSQLOLPHY-UHFFFAOYSA-N 301.350 2.001 0 40 DEAB NC(=O)c1cccc(COC(=O)c2ccc(-n3ccnc3)cc2)c1 95463424 LOPFYWZHCWLGBE-UHFFFAOYSA-N 321.336 2.328 0 40 DEAB Cc1nn(C)c(NC(=O)c2ccnc(OCC(F)F)c2)c1C 95442839 ZFNLKVKFKPHAJO-UHFFFAOYSA-N 310.304 2.328 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCC2(C1)OCCO2 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CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 32639792 FUSBUXWXJJABIO-TZMCWYRMSA-N 324.471 2.398 0 40 DEAB CCCCOc1ccc(NC(=O)C(=O)NCCCOCC)cc1 409256006 NFJOUASYNIMHMC-UHFFFAOYSA-N 322.405 2.347 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@H](C)N 79415516 KDZYPFLVLBSRMC-DOTOQJQBSA-N 303.450 2.235 0 40 DEAB CCc1nn2c(=O)cc(CN(C)C3CCCCC3)nc2s1 32753178 ZUHLTBXKOWQXPL-UHFFFAOYSA-N 306.435 2.478 0 40 DEAB CO[C@@H]1CCC[C@H](OC(=O)c2ccccc2Cn2cncn2)C1 76878261 PWABVBUPFVWHEM-CABCVRRESA-N 315.373 2.441 0 40 DEAB CC(=O)N1CCN(C(C)=O)[C@@H](c2ccc(C(F)(F)F)cc2)C1 72368124 RRCBTQQKFIOJST-CQSZACIVSA-N 314.307 2.457 0 40 DEAB CCn1c(NC(=O)c2cc(C)nc3ncnn23)nc2ccccc21 36618920 GVLKWSAJFLKPQR-UHFFFAOYSA-N 321.344 2.055 0 40 DEAB CCOCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccc(Cl)c1 79361591 HZHFPGGZANHOKJ-ZFWWWQNUSA-N 324.808 2.012 0 40 DEAB Cc1ccc(OCCC(=O)N[C@@H]2CCc3nc(C)cn3C2)cc1 72278909 NXYNJQPCTPWBIQ-OAHLLOKOSA-N 313.401 2.400 0 40 DEAB COc1ccc(OC)c(NC(=O)c2ncccc2C(=O)O)c1 40802997 QQWZOGOKVSKJTQ-UHFFFAOYSA-N 302.286 2.049 0 40 DEAB COc1ccc(CCN2CCN[C@H]3CCCC[C@@H]32)cc1OC 225712022 PCDYWXSLJODRRH-HOTGVXAUSA-N 304.434 2.463 0 40 DEAB Cc1cc(Br)cn(Cc2ccnc(N(C)C)c2)c1=O 195580567 ROVNDMCRPKMVDX-UHFFFAOYSA-N 322.206 2.429 0 40 DEAB C[C@@H]1CCNC(=O)[C@H]1NC(=O)NCCCc1cccc(Cl)c1 193817325 JRLJTWVUZVTGNJ-RISCZKNCSA-N 323.824 2.096 0 40 DEAB Cc1cccc(N2CCN(C(=O)c3cccc(O)c3)[C@H](C)C2)n1 195556732 CPAGBCNXKQYXRW-CQSZACIVSA-N 311.385 2.447 0 40 DEAB O=C(NCCc1cscn1)N1CCC([C@H]2CCCO2)CC1 190975262 IUSQQYOPVQGPNX-CQSZACIVSA-N 309.435 2.286 0 40 DEAB C[C@@H](C(=O)N(C)C)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 195530630 LLPIOTHOZRIAPQ-GXTWGEPZSA-N 306.381 2.197 0 40 DEAB CC[C@H](C(=O)Nc1ccc(-c2ccccn2)cn1)N1CCCC1=O 96486089 VJGBEVSCXHQJRX-OAHLLOKOSA-N 324.384 2.483 0 40 DEAB Cc1ccc2c(CC(=O)N[C@@H]3CCc4nnc(C)n4C3)coc2c1 97198647 RPQVXRYCTXDETE-CQSZACIVSA-N 324.384 2.315 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCCn1ccnc1C 96461686 UKUQJVXJELDXBR-CABCVRRESA-N 321.421 2.210 0 40 DEAB 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ROXFJCUCHJQHEG-INIZCTEOSA-N 313.401 2.182 0 40 DEAB CN(C)C(=O)C[C@H](NC(=O)c1ccnc(F)c1)c1ccccc1 58402062 OAJOCTJHNLWWEL-AWEZNQCLSA-N 315.348 2.170 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 62118613 QHRULICTCNAYFL-VIFPVBQESA-N 302.157 2.469 0 40 DEAB O=C(Nc1nc(CN2CCOCC2)cs1)c1ccccc1F 69296698 BCYTWTYUHPXYDY-UHFFFAOYSA-N 321.377 2.367 0 40 DEAB CCCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(N(C)C)c1 69349005 LHYWWUXTVIMLOY-INIZCTEOSA-N 317.433 2.160 0 40 DEAB COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cc[nH]n2)cc1 72385187 LQPIUNBESCZQGK-HNNXBMFYSA-N 321.402 2.334 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2CC(=O)NCc2cccs2)c1 70040491 PHOFRAKIZJBNKY-AWEZNQCLSA-N 318.446 2.034 0 40 DEAB Cc1noc([C@H]2CCCN(C[C@@H](O)c3cccc(F)c3)C2)n1 108183643 JCADFAKOMRRYFL-DZGCQCFKSA-N 305.353 2.430 0 40 DEAB O=C1N[C@]2(CCCN(C(=O)c3ccco3)C2)Oc2ccccc21 12183781 LNXNYSXHQKHNNL-QGZVFWFLSA-N 312.325 2.034 0 40 DEAB Cc1cccc(NC(=O)CCc2c(C)nc3ncnn3c2C)n1 4884766 VIUFDDIEZFXSDI-UHFFFAOYSA-N 310.361 2.016 0 40 DEAB O=C(CCc1cccc(Cl)c1)NC1CN(c2cnccn2)C1 1888860091 ZQXZWBFCNBETNJ-UHFFFAOYSA-N 316.792 2.068 0 40 DEAB COc1ncccc1CNc1cc(-n2nc(C)cc2C)ncn1 1888897987 SSLWYWIKNKHAIU-UHFFFAOYSA-N 310.361 2.295 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CCN(c2nccc(C(F)(F)F)n2)C1 1889065391 MHHUDPROXUMCFC-VIFPVBQESA-N 316.327 2.236 0 40 DEAB Cc1noc(CN2CCN(c3nc4ccccc4s3)CC2)n1 36833456 HOCOCFDFKRRGHE-UHFFFAOYSA-N 315.402 2.310 0 40 DEAB Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1-c1ccccc1 119192 ZRULOIPKGLDWKM-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1 4163456 LTNMWCXEMKGURC-QWRGUYRKSA-N 300.358 2.295 0 40 DEAB COc1cc(N2CCN(C/C=C/c3ccccc3)CC2=O)ccn1 1775973959 ULTATEVOFJHOOY-VMPITWQZSA-N 323.396 2.452 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@H](c2ccco2)O1 32879 HILBEYXUJYJLAH-QLJPJBMISA-N 317.297 2.500 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 40479536 BSNKZQWGADTWDE-VIFPVBQESA-N 309.309 2.115 0 40 DEAB COc1ccc([C@@H]2CCCN2CC(=O)NC2CC2)cc1OC 40497710 JDZFLZFJLATMDY-AWEZNQCLSA-N 304.390 2.119 0 40 DEAB COc1ncccc1C(=O)N1CCN(Cc2cccs2)CC1 40496182 NPUDKURRXCSIOY-UHFFFAOYSA-N 317.414 2.110 0 40 DEAB COCCn1cnnc1SCC(=O)c1ccc(F)c(F)c1 40456817 JSWKORSYQBMTBO-UHFFFAOYSA-N 313.329 2.178 0 40 DEAB O=C(Cc1csc(-c2ccncc2)n1)NCc1cccnc1 31868127 RFSMXFVAHTYCFH-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB Nc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 68383 KEXLGELMJVEGRP-UHFFFAOYSA-N 315.340 2.369 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)no1 29248612 JACQRTJJUGXKJP-HNNXBMFYSA-N 302.378 2.240 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnsc1Cl 69870920 MCEYZXLJTKTQED-RYUDHWBXSA-N 314.842 2.167 0 40 DEAB Cc1nc(CN2CCCN(C(=O)c3ccncc3)CC2)oc1C 71824734 SCXAWAIRMFOLCV-UHFFFAOYSA-N 314.389 2.035 0 40 DEAB CCOc1ccc(NC(=O)CNC(=O)Cc2ccccc2)cc1 6640393 LYDSZJCCCPUMET-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@H](C(N)=O)C2)c(C)c1 8171831 XNEVRVWAWZVDNB-GJZGRUSLSA-N 317.433 2.136 0 40 DEAB O=C(NCCCN1CCCCCC1)c1ccc2c(c1)OCCO2 57288909 OSLVAJNGACMEQN-UHFFFAOYSA-N 318.417 2.454 0 40 DEAB CN(CCNC(=O)c1n[nH]c2ccccc12)Cc1ccccc1 53349275 AQHHPEPZQBGTOW-UHFFFAOYSA-N 308.385 2.425 0 40 DEAB Cc1cccc(C(=O)N[C@H](C(=O)NC[C@@H]2CCCO2)C(C)C)c1 22835909 BZSAQUUVHDAVIZ-HOTGVXAUSA-N 318.417 2.045 0 40 DEAB C[C@@H]1CCCN(C(=O)Nc2cccnc2N2CCOCC2)C1 54481647 UUTGLIWBTUDKJC-CYBMUJFWSA-N 304.394 2.182 0 40 DEAB COc1ccc(F)cc1C(=O)O[C@@H](C(N)=O)c1ccccc1 23579149 VWKKNOKPNJRQRG-CQSZACIVSA-N 303.289 2.218 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1 24480284 YXOBGOLUMJCOIZ-SNPRPXQTSA-N 323.414 2.181 0 40 DEAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(CO)c1 24750876 SLKBTMZMVVTLFX-LBPRGKRZSA-N 313.357 2.328 0 40 DEAB Cc1cc(CN(C)C(=O)[C@@H](C)n2c(=O)oc3ccccc32)no1 25138129 LLVLZPZFGFAWEM-LLVKDONJSA-N 315.329 2.111 0 40 DEAB Cc1cc(C)n(CCC(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)n1 76022482 SOXXOZPNTYLQHT-BMFZPTHFSA-N 305.422 2.210 0 40 DEAB Cc1c(C(=O)NCCCC(C)C)sc2ncn(C)c(=O)c12 25328187 DZTKJWMFTXWGJU-UHFFFAOYSA-N 307.419 2.469 0 40 DEAB O=C(Nc1ccc(CCN2CCCC2)cc1)c1cccc[n+]1[O-] 56331957 LBLUYVOPKDRLMY-UHFFFAOYSA-N 311.385 2.211 0 40 DEAB O=C(NCCCn1cncn1)N[C@@H]1CCSc2ccccc21 47869922 OKNLPOAZINBKDX-CYBMUJFWSA-N 317.418 2.205 0 40 DEAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@@H]1C)c1ccc(F)cc1 76057160 WQRHHYKGCTUADQ-HUBLWGQQSA-N 314.426 2.146 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c(C)o1 76496601 RAUNUDLADFVDQQ-ZIAGYGMSSA-N 313.419 2.324 0 40 DEAB COCc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 44548987 WGUVRCWDWZQOCS-UHFFFAOYSA-N 323.352 2.182 0 40 DEAB CN(C(=O)Nc1nncs1)C1CCN(c2ccccn2)CC1 57879398 CVPKQYPUEIFAAI-UHFFFAOYSA-N 318.406 2.066 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 44889256 GMKVRUVWJQWXEK-INIZCTEOSA-N 322.368 2.470 0 40 DEAB NC(=O)COc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 8772657 TUEXRZUIGKODKZ-UHFFFAOYSA-N 324.380 2.012 0 40 DEAB COc1ccccc1[C@H](O)CNCc1ccc(NC(C)=O)cc1 58264091 MMINQTKVAOPQHH-QGZVFWFLSA-N 314.385 2.477 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)NCC(C)(C)Cc1ccccc1 71910275 PFZKPUVVRUCBFP-AWEZNQCLSA-N 315.421 2.235 0 40 DEAB CN(C)CCCNC(=O)c1cn(C)nc1-c1ccccc1Cl 71908109 XDGIIFAYIRSRFA-UHFFFAOYSA-N 320.824 2.422 0 40 DEAB CC(C)c1nnc(NC(=O)N2CCC(CN(C)C)CC2)s1 44972489 KDFXHSWNUJUOOU-UHFFFAOYSA-N 311.455 2.467 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 27898838 YAFCLAUCOVVMSA-AVGNSLFASA-N 312.410 2.070 0 40 DEAB CNC(=O)CCN(C)C(=O)c1ccc(SC(F)F)cc1 58355761 QZIXHSCKHMOVHW-UHFFFAOYSA-N 302.346 2.209 0 40 DEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C)cc1 28266948 AONLQKBZQDGYIO-CQSZACIVSA-N 310.419 2.138 0 40 DEAB Cc1cnc2c(S(=O)(=O)N[C@@H](C)[C@H]3CCCO3)cccc2c1 28327627 CQWWPWGRIPRECF-GXTWGEPZSA-N 320.414 2.389 0 40 DEAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1ccc(F)cc1C)C2 306145022 ZVIIFCSOXFKIRM-CQSZACIVSA-N 320.408 2.317 0 40 DEAB COc1ccc(Oc2ncccc2NC(=O)NC[C@@H](C)O)cc1 48220378 GBPMMZMKKBSZEZ-LLVKDONJSA-N 317.345 2.385 0 40 DEAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ncccn3)CC2=O)c1 11355735 FZTBIHRYUBYHBP-CYBMUJFWSA-N 310.357 2.085 0 40 DEAB CSc1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc1 3452859 GBAZNEHKFIJJDT-QPJJXVBHSA-N 304.415 2.146 0 40 DEAB Cc1ccc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2c1 12975272 MBHSMRDZEZHMFW-UHFFFAOYSA-N 302.359 2.151 0 40 DEAB NC(=O)[C@H]1CN(Cc2ccc(-c3ccc(F)cc3)s2)CCO1 92734792 KXMAIGIECOGBLT-CQSZACIVSA-N 320.389 2.240 0 40 DEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 5059126 OGMORJZWMGMBFU-RYUDHWBXSA-N 303.314 2.063 0 40 DEAB FC(F)(F)c1cccc(NC(=S)NN2CCOCC2)c1 13825969 QDYSMFJJUQJRBW-UHFFFAOYSA-N 305.325 2.239 0 40 DEAB CC[C@](C)(O)CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 66160540 KCGDTTWTTSGCNT-AWEZNQCLSA-N 301.337 2.313 0 40 DEAB Cc1noc(N)c1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 16326970 VAXJKIWIHFENOL-SECBINFHSA-N 313.313 2.475 0 40 DEAB Cc1cccc(C(C)C)c1NC(=O)CN(C)CC(=O)NC1CC1 7925878 PGXYGLPCEHOLTK-UHFFFAOYSA-N 317.433 2.267 0 40 DEAB NC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)CCC3)cc1 16728415 MMRJXFJNMJRZQZ-UHFFFAOYSA-N 317.366 2.042 0 40 DEAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N1CCc2ccccc2C1 8234531 GNSXVHRTGOADPN-INIZCTEOSA-N 312.413 2.362 0 40 DEAB Cc1cnn(CCNCC(=O)N(C)[C@H](C)c2ccccc2)c1 70017311 WRERNDMFHWMKLV-OAHLLOKOSA-N 300.406 2.001 0 40 DEAB CCN(Cc1c(F)cccc1F)C(=O)NCCn1ccnc1 69349598 CJYNSRYIPLVJNK-UHFFFAOYSA-N 308.332 2.393 0 40 DEAB COc1ccc(-c2noc(COC(=O)C3CC3)n2)cc1OC 8366398 VKAHOWMIFIJTGH-UHFFFAOYSA-N 304.302 2.207 0 40 DEAB COC(=O)C[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(SC)cc1 69597070 GSEQWTQLFJLCIR-ZIAGYGMSSA-N 323.414 2.308 0 40 DEAB CN(C)C(=O)c1cccc(CN2CCc3c(ncn3C3CC3)C2)c1 69516621 LHHNQDXFSQJQBJ-UHFFFAOYSA-N 324.428 2.478 0 40 DEAB CN(Cc1ccc(O)cc1)C(=O)NCCNC(=O)OC(C)(C)C 69738046 DQNQYTTVRFFBEZ-UHFFFAOYSA-N 323.393 2.058 0 40 DEAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 72282843 YSGPPFZMTMQRLC-CQSZACIVSA-N 301.394 2.019 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1 72242222 MPFCEZKDSGBJFR-DGCLKSJQSA-N 319.361 2.440 0 40 DEAB CN1CCO[C@@H](C(=O)Nc2nc(Cc3ccccc3)cs2)C1 97107772 MATTWSVDZXZRIP-CQSZACIVSA-N 317.414 2.003 0 40 DEAB COc1ccc(Cc2n[nH]c(NC(=O)c3cccnc3)n2)cc1 95473182 VACLDYZLPCGTKQ-UHFFFAOYSA-N 309.329 2.051 0 40 DEAB CCn1cc(C(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)cn1 95448132 BYVYWUHBGXRADG-ZDUSSCGKSA-N 311.744 2.159 0 40 DEAB O=c1onc(-c2cnccn2)n1CCSc1ccc(F)cc1 95988648 AXNAOJMMQXIERB-UHFFFAOYSA-N 318.333 2.225 0 40 DEAB CC[C@@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)N1CCCC1=O 95977308 UKKXTUDAAUXNKH-HNNXBMFYSA-N 312.373 2.416 0 40 DEAB COc1cccc(NC(=O)N2CCC[C@@H](c3nc[nH]n3)C2)c1 75094429 PVJKAPHNSLWPPP-LLVKDONJSA-N 301.350 2.225 0 40 DEAB O=C1CC[C@H](CNC(=O)Nc2ccc(C(F)(F)F)cc2)N1 75139218 KFWHZNNOGNZHPI-SNVBAGLBSA-N 301.268 2.106 0 40 DEAB O=C(NCCn1cc(Br)cn1)c1ccccc1F 28241555 FQBAURQGLHDGGR-UHFFFAOYSA-N 312.142 2.215 0 40 DEAB O=C(NCc1cc(-c2ccccc2F)on1)c1ccc(=O)[nH]c1 38754363 XMFZUXVPZUBXPJ-UHFFFAOYSA-N 313.288 2.099 0 40 DEAB CNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CCCCC1 36720853 NHQBZKGYPCNATJ-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB O=C(c1cc(O)nc(C2CC2)n1)N1CCc2sccc2C1 552905295 WYJWCNVYXMGFKA-UHFFFAOYSA-N 301.371 2.320 0 40 DEAB COc1cccc([C@@H]2CCCN2C(=O)c2cnc(C)nc2N)c1 532868321 HANDHZPPTXEZSI-HNNXBMFYSA-N 312.373 2.353 0 40 DEAB CC(=O)N1CCC[C@@H](Cc2cncc(C(=O)N3CCCC3)c2)C1 72387138 PYNQYWDUVXHEIC-HNNXBMFYSA-N 315.417 2.119 0 40 DEAB Cc1cc(CCC(=O)N(C)C)nc([C@@H]2CCCN(C(C)C)C2)n1 72366977 ACKYXISJBYYXGL-OAHLLOKOSA-N 318.465 2.394 0 40 DEAB O=C(Nc1cccc2[nH]ccc12)[C@H](c1ccccc1)n1cnnn1 71284367 SBFSLRBVVHILOV-INIZCTEOSA-N 318.340 2.383 0 40 DEAB COC(=O)c1conc1[C@@H](O)c1ccc(Br)cc1 503938761 LDQFQBNMKLGKRY-NSHDSACASA-N 312.119 2.305 0 40 DEAB CCn1c(SCCN2CCOCC2)nnc1-c1ccccc1 35311360 ILOAYWAVYLCGPN-UHFFFAOYSA-N 318.446 2.389 0 40 DEAB O=C(O)[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCO2 566235819 WQYKLKQTGOPHQG-AWEZNQCLSA-N 303.358 2.020 0 40 DEAB O=C(CCOCC(F)(F)F)NCCC(=O)Nc1ccccc1 79094268 IBNGQLSHEOKOIU-UHFFFAOYSA-N 318.295 2.100 0 40 DEAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2cccc(Cl)c2C)n1 225966230 ZRMXRPVTYTUEHA-UHFFFAOYSA-N 306.705 2.095 0 40 DEAB CC(C)[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 225215838 SKMGXGFOKHUILF-VIFPVBQESA-N 318.826 2.486 0 40 DEAB COc1cccc(CNc2cccc(CS(C)(=O)=O)c2)n1 225386982 GESCXOZEECMZIM-UHFFFAOYSA-N 306.387 2.247 0 40 DEAB O=C(Nc1ccc(Cl)cc1)c1cc(N2CCOCC2)on1 224074269 VIXKPUBOYKWWBN-UHFFFAOYSA-N 307.737 2.417 0 40 DEAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(N)=O)cc1 225622251 AFPWHEWGRRTDFO-KRWDZBQOSA-N 322.405 2.475 0 40 DEAB CN(C(=O)CN(C1CCCCC1)S(C)(=O)=O)c1ccccc1 226040925 QOJUHCRTKSVMAY-UHFFFAOYSA-N 324.446 2.244 0 40 DEAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccccn1 224047469 FZHWGXGGULZEMB-UHFFFAOYSA-N 301.371 2.339 0 40 DEAB CCO[C@H]1C[C@@](O)(CNC(=O)C2CCC(F)(F)CC2)C1(C)C 191772523 NVRDZJRCXIGQJH-SWLSCSKDSA-N 319.392 2.494 0 40 DEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 223562455 CLHBPEXTJHOHOX-CHWSQXEVSA-N 305.428 2.108 0 40 DEAB O=C([C@@H]1CCCN(Cc2cccnc2)C1)N1CC(CC(F)F)C1 575742709 QMYWCDBYADUZBR-OAHLLOKOSA-N 323.387 2.407 0 40 DEAB c1ccc(-c2coc(CN3CCN(Cc4c[nH]cn4)CC3)n2)cc1 193384971 ASOYXHPVWJWRHB-UHFFFAOYSA-N 323.400 2.383 0 40 DEAB O=S(=O)(c1cccs1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 96200351 RBSSLZCQFJEMTD-KBPBESRZSA-N 323.439 2.115 0 40 DEAB CC(=O)c1cc(F)ccc1OC[C@H](O)CN1CCC(C)CC1 95439010 GSJCDDMBYPEJDZ-OAHLLOKOSA-N 309.381 2.500 0 40 DEAB CCn1nc(C)c(CNC(=O)N[C@@H]2CCCC[C@H]2OC)c1C 96439897 UXLXRMKWTZEMHU-HUUCEWRRSA-N 308.426 2.277 0 40 DEAB O=Cc1cc(Br)ccc1OCCC1OCCO1 95731799 GHYNSANSLNYNMX-UHFFFAOYSA-N 301.136 2.403 0 40 DEAB O=C1C[C@]2(CCN(Cc3cccnc3)C2)CN1c1ccccn1 96239157 JDKFRWHEGPRURK-SFHVURJKSA-N 308.385 2.106 0 40 DEAB Cc1noc([C@@]23CCO[C@@H]2CCN(Cc2scnc2C)C3)n1 96038746 CSKILGSPLQPYSV-UKRRQHHQSA-N 320.418 2.076 0 40 DEAB CCN(C)[C@@H]1COC2(CCN(C(=O)Cc3cccs3)CC2)C1 96220806 JUXCYESTYJIFBF-AWEZNQCLSA-N 322.474 2.392 0 40 DEAB O=C(N[C@H]1C[C@H]1c1ccc(F)cc1F)c1nccn2ccnc12 96436536 COTXWMIRBWXTLX-AAEUAGOBSA-N 314.295 2.293 0 40 DEAB COC[C@@H]1CCC2(CCN(Cc3c(C)noc3C)CC2)N1C 96208077 NUROAEONMCCNRD-HNNXBMFYSA-N 307.438 2.367 0 40 DEAB CCOC[C@H]1CN(Cc2scnc2C)Cc2cn(C)nc21 96068293 KZZQOQMXMXNTQP-CYBMUJFWSA-N 306.435 2.321 0 40 DEAB c1cnc(N[C@@H]2CO[C@@]3(CCCN(Cc4ccoc4)C3)C2)nc1 96048335 DBQXZXVFMHHACF-RDJZCZTQSA-N 314.389 2.305 0 40 DEAB Cc1cccnc1[C@@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)C(C)C 96424386 HAYMZDQLXWFTIF-JYJNAYRXSA-N 319.449 2.360 0 40 DEAB CCN1C[C@H](COC)[C@]2(CCN(C(=O)Cc3ccccc3)C2)C1 96219907 XVCBUFZETZIXPC-IEBWSBKVSA-N 316.445 2.046 0 40 DEAB C[C@@H]1CCCCN1C(=O)COCc1nc(-c2ccncc2)no1 96182037 XVKSTSNNCDVWMT-GFCCVEGCSA-N 316.361 2.049 0 40 DEAB O=C(N[C@H](CO)c1ccccc1)c1ccnc(OC2CCC2)c1 97232897 JTTHEMNHWHORMM-MRXNPFEDSA-N 312.369 2.476 0 40 DEAB Cc1ccc(CNC(=O)N[C@H]2CC[C@H](N(C)C)C2)c(N(C)C)c1 91764512 IXWXRVHVWPKXBS-HOTGVXAUSA-N 318.465 2.343 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 42367705 FTLLTXUJWHKWGI-IINYFYTJSA-N 305.765 2.045 0 40 DEAB COCC(=O)NC[C@H]1CC[C@H](c2nn(C)c3ncccc32)CC1 257314093 UVGWBLPUKMVKEW-JOCQHMNTSA-N 316.405 2.005 0 40 DEAB CN(C)C(=O)CN1CCOC[C@H](Cc2ccc3ccoc3c2)C1 257246110 ISNCZYYVDXLLTE-OAHLLOKOSA-N 316.401 2.012 0 40 DEAB COc1ccccc1CN(CCO)C(=O)Nc1cccnc1 47565491 YSQMLMUXRNPUDC-UHFFFAOYSA-N 301.346 2.117 0 40 DEAB CN(C)c1cc(CNC(=O)N2CCc3ccccc3C2)ccn1 47612152 ARHLSBWRDOZVQH-UHFFFAOYSA-N 310.401 2.416 0 40 DEAB CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@@H]2C)c1 68970263 UDLRYUICEZHXJH-ZDUSSCGKSA-N 324.446 2.308 0 40 DEAB CN1CCO[C@H](CNCc2ccc(F)cc2Br)C1 72267966 KFWKUYGHFBNUEV-GFCCVEGCSA-N 317.202 2.008 0 40 DEAB Cc1cc(NC(=O)c2cccc(CN3CCN(C)CC3)c2)ccn1 73610056 XINKVDQAJPFVKZ-UHFFFAOYSA-N 324.428 2.390 0 40 DEAB CN(C)C(=O)CCC[S@@](=O)c1ncc(C(C)(C)C)s1 95413812 TZZBZKCYLCEYND-IBGZPJMESA-N 302.465 2.417 0 40 DEAB COCCN1CCC(CNc2cnc3ccccc3n2)CC1 89414512 AOPQSSPWVCYSMP-UHFFFAOYSA-N 300.406 2.400 0 40 DEAB C[C@H](C(=O)NCc1ccnn1C)n1ccnc1-c1ccccc1 89518669 DMTHWGZRMHFCHC-CYBMUJFWSA-N 309.373 2.161 0 40 DEAB CCOC(=O)c1cnc2n1CC(=O)Nc1cc(Cl)ccc1-2 1542984501 GEKNTXFUCBSIDE-UHFFFAOYSA-N 305.721 2.332 0 40 DEAB COc1ccc(OC)c([C@@H]2SCC(=O)N2c2nncs2)c1 5760726 KKEAREXXJQUIPA-LBPRGKRZSA-N 323.399 2.334 0 40 DEAB COCCn1c(=O)n(Cc2ccc(F)cc2)c2cccnc21 12222540 WIJSDGRAMLMTDC-UHFFFAOYSA-N 301.321 2.032 0 40 DEAB O=C(O)CC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 12648450 CAYYLEIQAMJAMA-ZDUSSCGKSA-N 305.330 2.079 0 40 DEAB COc1cccc(NC(=O)COc2cccc(C(=O)O)c2)c1 13079952 YWHKQDWPXGLUKX-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB CCc1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 19936363 VNVOTUMWINGQRF-UHFFFAOYSA-N 318.354 2.484 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)Cn1c(C)nc2ccccc21 7200602 SJMQTNILLNBDBH-AWEZNQCLSA-N 317.389 2.049 0 40 DEAB CCOc1ccc(CC(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 245053429 OUACYQWFVKPEHK-HYVNUMGLSA-N 319.401 2.081 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)NC1CN(c2ccccn2)C1 1888897629 GPDQQIDQFWHVLO-UHFFFAOYSA-N 306.369 2.110 0 40 DEAB O=S(=O)(C1CC1)N1CC[C@@H](Oc2cccc3cccnc23)C1 240067913 SDQYPRUXGPLGAS-CYBMUJFWSA-N 318.398 2.180 0 40 DEAB O=C(NN1C(=O)c2cccc3cccc(c23)C1=O)c1ccncc1 234695 ALZPTQZBSQFWCK-UHFFFAOYSA-N 317.304 2.176 0 40 DEAB COc1cccc(NC(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 9823305 SFBWRSGZEHGZSB-HNNXBMFYSA-N 311.341 2.144 0 40 DEAB Cc1nc(C)c(-c2cc(C(=O)NCc3ccccn3)[nH]n2)s1 23125525 GWQMASVXKMXPQJ-UHFFFAOYSA-N 313.386 2.475 0 40 DEAB CCCOc1cccc(NC(=O)NCC(=O)NCC(C)C)c1 50054296 KUODTLSXHAXYGP-UHFFFAOYSA-N 307.394 2.369 0 40 DEAB CC(C)C[C@H](NC(=O)C1=NN(C)C(=O)CC1)c1ccccc1 30893899 KXTPYRRPZOQBMW-HNNXBMFYSA-N 301.390 2.498 0 40 DEAB COc1cccc(CNC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1 40506164 RWQQOVRRDOMDIB-OAHLLOKOSA-N 318.417 2.349 0 40 DEAB COc1ccc(C2=CCN(C(=O)[C@@H](C)n3cncn3)CC2)cc1 40542406 OKLAEQNVKNLRMH-CYBMUJFWSA-N 312.373 2.164 0 40 DEAB Cc1csc(NC(=O)CCN2Cc3ccccc3C2=O)n1 20730174 MUOWVMFMZSWJEX-UHFFFAOYSA-N 301.371 2.436 0 40 DEAB Cc1cccnc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 280032 ASIWOMCSFTZCTR-UHFFFAOYSA-N 323.352 2.405 0 40 DEAB C[C@H]1CN(C)CC[C@@H]1NC(=O)Nc1ccc(N2CCCC2)nc1 52138018 NQFGIWHGLGICRC-ZFWWWQNUSA-N 317.437 2.144 0 40 DEAB CC(=O)c1sc(NC(=O)[C@@H]2COc3ccccc3O2)nc1C 4088428 NTJBOVIYXIHTLP-LBPRGKRZSA-N 318.354 2.433 0 40 DEAB Cc1[nH]c(C(=O)O[C@H]2C[C@H](C)OC2=O)c(C)c1C(=O)OC(C)C 60892187 WTXPWIYVDBNRFB-KWQFWETISA-N 323.345 2.058 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCN([C@H](CN)c2ccc(F)cc2)C1 101039026 BYXVVXTXINETJW-LSDHHAIUSA-N 323.412 2.425 0 40 DEAB CC(C)(C)c1noc(Cn2nc(-c3ccc(F)cc3)oc2=O)n1 24048323 OINCKYSRQWBSPH-UHFFFAOYSA-N 318.308 2.371 0 40 DEAB COC(=O)C1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 12391586 OWINUAQUMSSKTL-OAHLLOKOSA-N 316.357 2.179 0 40 DEAB CCC(CC)c1nnc(NC(=O)CNC(=O)c2ccco2)s1 24987300 NUXAAQVTDZLXIR-UHFFFAOYSA-N 322.390 2.403 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100159451 IVAWDFYOOSCURA-NEMWNAMBSA-N 308.381 2.418 0 40 DEAB CC(C)CNC(=O)[C@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 108072466 KELCZGJSVZOQQY-XDQVBPFNSA-N 310.463 2.096 0 40 DEAB CCS(=O)(=O)c1ccccc1NC(=O)NCc1cccnc1 44327949 VCTYUMKSRABJRP-UHFFFAOYSA-N 319.386 2.197 0 40 DEAB CCc1nnsc1C(=O)NCc1cccc(CN(C)CC)c1 58179651 BTMPLRWNZGYXCV-UHFFFAOYSA-N 318.446 2.482 0 40 DEAB CCCCc1noc(CNc2cccc(S(C)(=O)=O)c2)n1 58168045 WWLCWDFSWCYOFS-UHFFFAOYSA-N 309.391 2.428 0 40 DEAB NC(=O)COc1ccc(CCNc2nc3ccccc3o2)cc1 44976341 BTNSTMFWSMUIFI-UHFFFAOYSA-N 311.341 2.347 0 40 DEAB C[C@@]1(C(=O)NCC(=O)NC2CCCCC2)CC1(Cl)Cl 58417746 PLCNJJKSBHACCJ-LBPRGKRZSA-N 307.221 2.135 0 40 DEAB O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CC=CCC1 11005111 MSPWTOQLFNLMSR-TZMCWYRMSA-N 305.399 2.378 0 40 DEAB O=C(NCCCC(=O)N1CCc2ccccc2C1)c1ccco1 28651574 CYSFNLQCHOWSNA-UHFFFAOYSA-N 312.369 2.375 0 40 DEAB NC(=O)[C@H]1CCCCN1Cc1ncc(-c2ccc(F)cc2)o1 48264127 KWHREMVMEREYKY-CYBMUJFWSA-N 303.337 2.321 0 40 DEAB COC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12741586 HNPYLTRGXFPEEU-LLVKDONJSA-N 317.364 2.265 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C(=O)NCC(F)(F)F)C(C)C)cc1 12742155 FLCKJJRTPBZCKJ-GFCCVEGCSA-N 316.323 2.428 0 40 DEAB CC(=O)N[C@H](C(=O)N(C)Cc1nc2ccccc2s1)C(C)C 8265052 PBSZIESNSMPUSW-HNNXBMFYSA-N 319.430 2.415 0 40 DEAB Cn1ccc2c(C(=O)Nc3ccc(-n4cncn4)nc3)cccc21 69382183 ANGIPDRGRWWBPQ-UHFFFAOYSA-N 318.340 2.406 0 40 DEAB CCc1noc([C@@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)n1 69323896 LXUQAYYQLWFKDD-GFCCVEGCSA-N 319.409 2.116 0 40 DEAB O=C(O)C[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 3626855 HDRGUIIOXMIEPF-AWEZNQCLSA-N 319.382 2.223 0 40 DEAB CCNC(=O)NC(=O)CNc1cccc(-c2nc(C)cs2)c1 69493903 FQKZCWQPRDGZTQ-UHFFFAOYSA-N 318.402 2.376 0 40 DEAB NC(=O)CC1CCN(C(=O)CCOc2ccc(Cl)cc2)CC1 49389413 ZSDSJXAKQYKMEM-UHFFFAOYSA-N 324.808 2.223 0 40 DEAB O=C(NCCCNC(=O)c1cc2ccccc2[nH]1)c1cccnc1 8404544 LJNMPDKBYNASSX-UHFFFAOYSA-N 322.368 2.113 0 40 DEAB COCc1nc(C(=O)N2CCc3ccc(O)cc3C2)cs1 65215649 YOAUXVNOFJWVMI-UHFFFAOYSA-N 304.371 2.194 0 40 DEAB CC(C)(C)c1ncc(CNC[C@@H]2CN(C3CC3)CCO2)s1 69589940 SSLZQGQUHIZZDB-CYBMUJFWSA-N 309.479 2.393 0 40 DEAB C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2ccco2)C1=O 17305071 DMJAXZPQXLXISH-LBPRGKRZSA-N 314.341 2.100 0 40 DEAB CCNC(=O)NC(=O)CN(C)[C@H](c1ccccc1)C(F)(F)F 69668120 DXGPVGYBYNGXGW-GFCCVEGCSA-N 317.311 2.068 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)Cc1ccc(C)cc1 14184420 ZMIUOGHIXHJVIH-KRWDZBQOSA-N 311.381 2.438 0 40 DEAB COC(=O)CCNc1nc(C)nc2sc(C(=O)OC)c(C)c12 14110288 DVIHXOHVHAAJLR-UHFFFAOYSA-N 323.374 2.070 0 40 DEAB CC(C)c1ccc([C@H](C)NC(=O)N[C@@H]2CCCNC2=O)cc1 69700916 KHHSROZZZPGVBW-SWLSCSKDSA-N 303.406 2.449 0 40 DEAB COc1ccccc1CCNC(=O)[C@@H]1CC(=O)Nc2ccccc21 14482431 OTSIYDNVNYODMK-OAHLLOKOSA-N 324.380 2.480 0 40 DEAB Cc1ccc2c(c1)CCCN2C(=O)c1nc2nccc(C)n2n1 14423491 PAUAKBPZISDPEU-UHFFFAOYSA-N 307.357 2.334 0 40 DEAB C[C@@H](CNCc1cc(F)ccc1Br)[S@@](C)=O 90193581 BNVZUGVWPVTKAP-PWJLMRLQSA-N 308.216 2.445 0 40 DEAB CCCOC(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 16050224 NRZMBINBZBPZTC-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB CC(C)NC(=O)CCCC(=O)N[C@H]1CCc2c(O)cccc21 78646782 JFRZRPZVQOTFAD-AWEZNQCLSA-N 304.390 2.191 0 40 DEAB Cc1cc(NC(=O)CCn2cc(Br)c(C)n2)no1 96001593 YAXRYBMXEHSDJT-UHFFFAOYSA-N 313.155 2.279 0 40 DEAB Cn1cc(N2CCC[C@@H](Nc3nc(N)c4ccccc4n3)C2)cn1 97031872 IYGGPIQKMCWUPW-GFCCVEGCSA-N 323.404 2.026 0 40 DEAB CN(Cc1ccc(F)c(F)c1)C(=O)Nc1cncnc1N(C)C 97083097 XBLUHUQQXITAAY-UHFFFAOYSA-N 321.331 2.485 0 40 DEAB CC(=O)Nc1cccc(C(=O)NC2(C(=O)O)CCCCC2)c1 71658595 VHGOJIKRMDDTBL-UHFFFAOYSA-N 304.346 2.162 0 40 DEAB CCCc1cc(NC(=O)[C@@H](C)NC(=O)c2cccc(C)c2)n[nH]1 72286991 ZZZKQDHPUGBMKR-GFCCVEGCSA-N 314.389 2.428 0 40 DEAB CCOc1ccc(C(=O)N[C@@H]2CCc3nccn3C2)cc1OC 72278519 WSFWMQBCEWLBJN-CYBMUJFWSA-N 315.373 2.035 0 40 DEAB Cc1cc(C(N)=O)c(NC(=O)[C@H]2Cc3ccccc3O2)s1 72285439 JTEPWPCPHWUJKI-GFCCVEGCSA-N 302.355 2.098 0 40 DEAB COCCS(=O)(=O)NC(c1ccccc1)c1ccccc1 72273657 JEAVSFJFNHOKDR-UHFFFAOYSA-N 305.399 2.342 0 40 DEAB Cc1noc([C@@H](C)NC[C@H](c2cccs2)N2CCOCC2)n1 72276593 XEHPXJKIKGFDJG-DGCLKSJQSA-N 322.434 2.164 0 40 DEAB Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1CCC(=O)N(C)C1 72291507 YCUWDTJUFBULNS-JTQLQIEISA-N 309.435 2.100 0 40 DEAB Cc1cnc(CCNC(=O)N[C@H](CO)c2ccccc2)s1 84259520 QPCZQXYXGHAGOW-CYBMUJFWSA-N 305.403 2.027 0 40 DEAB CCN(C(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1)C(C)C 97141754 UKHOQSFIGSRMDT-SJORKVTESA-N 319.449 2.062 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1 71869841 UQRFBKPZUMYOAM-CQSZACIVSA-N 324.388 2.076 0 40 DEAB CC(=O)Nc1ccc(CCNC(=O)NCC[C@H]2CCCO2)cc1 71803141 FAPAIQAMZXPVAP-MRXNPFEDSA-N 319.405 2.056 0 40 DEAB CC(C)OC[C@@H](O)CN(C)[C@@H]1CCCN(c2ccccc2)C1 84621868 WXMJKIZLHDSHLN-MSOLQXFVSA-N 306.450 2.373 0 40 DEAB O=C(CNC(=O)Nc1cccc2cnccc12)Nc1ccccn1 84613265 OMWQZUIILYCXAO-UHFFFAOYSA-N 321.340 2.390 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1N1CCOCC1 84736092 FYDIBTPJLIZARK-VXGBXAGGSA-N 312.797 2.116 0 40 DEAB Cn1c(=O)oc2ccc(Nc3ncncc3Br)cc21 95421318 SLUISECHBPPXMY-UHFFFAOYSA-N 321.134 2.428 0 40 DEAB CN(C)c1nnc(-c2ccc(NC(=O)N3CCCC3)cc2)o1 95427220 TVWQMFKGBWTWCW-UHFFFAOYSA-N 301.350 2.430 0 40 DEAB COc1ccc2c(c1)C[C@H](NCCOC[C@H]1CCCO1)CC2 95973577 ZIODFZMKTBWMGZ-SJLPKXTDSA-N 305.418 2.338 0 40 DEAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H](C(=O)O)C3)c12 95969528 SYHLZGDXJRZBSP-LBPRGKRZSA-N 300.358 2.342 0 40 DEAB Cc1ocnc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95989324 UMLTXLSFFMOFKG-UHFFFAOYSA-N 314.341 2.242 0 40 DEAB CCN1CCN(C(=O)N[C@@H](C)c2c(F)cccc2OC)CC1 74740930 ZVJJTBHWAGVITJ-LBPRGKRZSA-N 309.385 2.242 0 40 DEAB COc1cccc([C@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 89469847 CVKIECGREAILJB-CQSZACIVSA-N 320.370 2.399 0 40 DEAB COC(=O)Cc1cccc(NC(=O)c2c(C)nn(C)c2C)c1 89505637 SFKRZAWGKJLXCB-UHFFFAOYSA-N 301.346 2.005 0 40 DEAB CCc1nsc(SCC(=O)Nc2c(C)nn(C)c2C)n1 75110351 YGVMBDCEKODDPL-UHFFFAOYSA-N 311.436 2.182 0 40 DEAB CCOc1cc(CN[C@@H]2CCN(C(C)=O)C[C@H]2C)ccc1OC 89990989 PTFPFEDLYGUAOF-CZUORRHYSA-N 320.433 2.440 0 40 DEAB COc1ccc([C@H]2CC(=O)Oc3c2oc(C)cc3=O)c(OC)c1 1547139472 QQSHGVZVXFYVBC-GFCCVEGCSA-N 316.309 2.406 0 40 DEAB biogenic CCCCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306142122 WQGQMASJZSYRJG-OAHLLOKOSA-N 318.417 2.406 0 40 DEAB COc1ccc(C)nc1NC(=O)N1CC[C@H](c2nc(C)no2)C1 551948374 FFASJLZGVGYKKS-NSHDSACASA-N 317.349 2.111 0 40 DEAB COc1c2c(c(NC(=O)C(C)(C)C)c3c1OCO3)CCN(C)C2 32124500 SDMJNFGVRIBJNQ-UHFFFAOYSA-N 320.389 2.396 0 40 DEAB biogenic CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc21 72264783 KWFGBFPGUUVJBS-NSHDSACASA-N 324.402 2.178 0 40 DEAB NCCN1CC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1 79391016 XITGORGLZPMAPN-MRXNPFEDSA-N 317.433 2.068 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2nsnc2Cl)CC1 34578158 UOQDADMBRVIKNM-UHFFFAOYSA-N 304.803 2.249 0 40 DEAB CS(=O)(=O)c1ccc2nc(NC[C@@H]3CCCO3)sc2c1 42379433 LHIZTSJODHBWLS-VIFPVBQESA-N 312.416 2.291 0 40 DEAB Oc1nc(-c2ccncc2)nc2c1CN(Cc1ccccn1)CC2 72339811 MHFVRQWVJGDVLM-UHFFFAOYSA-N 319.368 2.198 0 40 DEAB CCn1cc(CNC[C@]2(O)CCC[C@H](C(F)(F)F)C2)cn1 189606909 QSDWGVPNWIPFNP-STQMWFEESA-N 305.344 2.476 0 40 DEAB CCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C(N)=O 72265480 NMDQCXWVVCZQMT-UHFFFAOYSA-N 306.753 2.216 0 40 DEAB Cn1c(CCNC(=O)c2ccc(Cl)cc2F)n[nH]c1=S 78455977 LEBVYXSWTPGYBK-UHFFFAOYSA-N 314.773 2.243 0 40 DEAB COc1ccccc1CC(=O)OCC(=O)N(C)c1ccccc1 72333730 UEWBIFUPAZPFGU-UHFFFAOYSA-N 313.353 2.444 0 40 DEAB Brc1ccc(-c2nc([C@H]3COCCN3)no2)cc1 135922752 CEPOQJBSPQSGBC-SNVBAGLBSA-N 310.151 2.160 0 40 DEAB CCOC(=O)CSc1nnc(-c2ccccc2)n1CCOC 41294450 IVQANSSOYPQFOP-UHFFFAOYSA-N 321.402 2.247 0 40 DEAB CN(CCCNS(C)(=O)=O)Cc1ccc2ccccc2c1 49982902 KUUFMJBCQIIVLD-UHFFFAOYSA-N 306.431 2.211 0 40 DEAB CCn1nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)O)c1Cl 195542633 HFYDAHLRONLGSE-SECBINFHSA-N 301.774 2.094 0 40 DEAB CCC1(CNC(=O)[C@@H]2CCN(Cc3ccccc3)C2)COC1 571581078 ZSVLRAOXSUVHRO-MRXNPFEDSA-N 302.418 2.051 0 40 DEAB COC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1C 225799911 JSILBARJHDOJCB-UHFFFAOYSA-N 321.446 2.162 0 40 DEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N(C)c1cccc2ccccc12 193847959 YFYWQFWFMRIDKZ-LBPRGKRZSA-N 320.414 2.083 0 40 DEAB Cc1cc(S(=O)(=O)Nc2ccc(O)nn2)sc1Cl 192623835 QNXJBHQFUHZPGB-UHFFFAOYSA-N 305.768 2.006 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4c(C)noc4C)C[C@H]3O2)n1 96042727 MXNAWTDPVHKAFJ-NWANDNLSSA-N 318.377 2.335 0 40 DEAB O=C(CN1CCC[C@@H]1CCCO)NCc1ccc(Cl)s1 96424259 KVOSWKLHYVTHBL-LLVKDONJSA-N 316.854 2.255 0 40 DEAB O=C(c1ccoc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1cccnc1 96057973 TYQFLEWCFQLXLD-ARFHVFGLSA-N 314.341 2.126 0 40 DEAB O=C(C[C@H]1CCCO1)N(CCc1ccccc1)[C@H]1CCOC1 96460318 LTEIFYAROQMCQO-DLBZAZTESA-N 303.402 2.416 0 40 DEAB O=C(NCc1cccs1)[C@@H]1C[C@@H]2CCN(C3CCC3)C[C@H]2O1 96043031 LFWVHVDRZOCGHM-VBNZEHGJSA-N 320.458 2.396 0 40 DEAB Cc1nnc([C@@]23CCO[C@@H]2CCN(C(=O)c2cccs2)C3)o1 96038815 HXSDXKREBHNALZ-IUODEOHRSA-N 319.386 2.012 0 40 DEAB O=C1[C@H]2CN(Cc3ccoc3)C[C@@H]2CCN1Cc1cccnc1 96054631 KXVRCCDITZPYBK-IRXDYDNUSA-N 311.385 2.155 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CCc2ncncc2C1 96122738 ATFDBUXNSVVEOF-UHFFFAOYSA-N 303.749 2.337 0 40 DEAB CC[C@@H](NC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(F)cc1F 96415291 CDTQYPZTMCIMCY-NOZJJQNGSA-N 313.348 2.192 0 40 DEAB CC(C)S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 96024972 VYXXZXYJEOTILM-UHFFFAOYSA-N 318.826 2.316 0 40 DEAB C1CC(N2CCC3(CC2)CO[C@H](COCC2CC2)C3)CCO1 96106022 VANFZJZIHDTNJH-KRWDZBQOSA-N 309.450 2.463 0 40 DEAB CN1CCN(C)[C@H](CNCc2ccc(Oc3ccccc3)o2)C1 96500119 SWJATLMMFNGTAR-OAHLLOKOSA-N 315.417 2.407 0 40 DEAB O=S(=O)(C1CCCCC1)N1CCC[C@H](Cc2ccn[nH]2)C1 257321873 WDQBJFVNZANACD-CYBMUJFWSA-N 311.451 2.327 0 40 DEAB Cc1cc(CC[C@H]2CN(C(=O)c3ccsc3)CCO2)ncn1 257325015 WRCOEPBVOXRNIE-HNNXBMFYSA-N 317.414 2.320 0 40 DEAB Cc1nn(C)c2nc([C@H]3CCCN(c4cnccn4)C3)ccc12 257200879 AFFVPKIPMLVLES-ZDUSSCGKSA-N 308.389 2.451 0 40 DEAB CCC[C@@H]1CN([C@@H]2Cc3ccccc3[C@H]2O)CCN1CCOC 253370834 WXOALGWQKANFHY-BHIYHBOVSA-N 318.461 2.077 0 40 DEAB CC(C)NC(=O)CCCn1cc(COc2ccccc2)nn1 252488195 INGAZMHSUVGSJH-UHFFFAOYSA-N 302.378 2.162 0 40 DEAB CCN(C)[C@H]1CN(C(=O)c2ccnn2C)C2(CCCCC2)C1 257227644 FQGIGRVPJSHDCH-CQSZACIVSA-N 304.438 2.289 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cnn(C)c1C 257248669 JESKDORZDHGQBW-HNNXBMFYSA-N 315.421 2.446 0 40 DEAB O=C(Cc1cccs1)NCc1ccnc([C@H]2CCCO2)n1 257308968 TYYIWZKQQGAAAJ-CYBMUJFWSA-N 303.387 2.249 0 40 DEAB CCO[C@H]1C[C@@](O)(CNC(=O)[C@H](C)c2ccccc2)C1(C)C 276582659 JWPCKQCXJPZROE-QIIPPGSGSA-N 305.418 2.472 0 40 DEAB COc1ccc(NC(=O)N2CCC[C@H](C(N)=O)C2)c(Cl)c1 390835775 YEEQRHRJVGSRRS-VIFPVBQESA-N 311.769 2.078 0 40 DEAB CO[C@@]1(COc2ccc(C)cc2)CCN(Cc2cnc[nH]2)C1 585274854 PNHCBVWWCTWZMQ-KRWDZBQOSA-N 301.390 2.388 0 40 DEAB COc1ccc(CN2CCC[C@](CCC(N)=O)(OC)C2)c(F)c1 585276767 DQXKUJNFUILGQD-QGZVFWFLSA-N 324.396 2.081 0 40 DEAB Cc1cc(NS(=O)(=O)c2cncc(OC(C)C)c2)cnc1O 585141660 YTVOQFOAOWJYCE-UHFFFAOYSA-N 323.374 2.079 0 40 DEAB C[C@@H](C1CC1)N(C)S(=O)(=O)N1CC[C@H](Nc2ccccc2)C1 69122310 LZQQWBBSWWIHTQ-BBRMVZONSA-N 323.462 2.148 0 40 DEAB COCCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc(OC)c1 69487754 GWZHDTHBANRCSB-HOCLYGCPSA-N 321.373 2.096 0 40 DEAB Cc1cc(NCC(=O)N(C2CCCC2)C2CC2)ccc1C(N)=O 72301933 OAHGQCWDEFJFAB-UHFFFAOYSA-N 315.417 2.439 0 40 DEAB Cc1cc(C)c(CNC(=O)N(C)Cc2ccc(F)cc2)c(=O)[nH]1 72305694 DUYTYONEYQYDHC-UHFFFAOYSA-N 317.364 2.472 0 40 DEAB CCc1ccc([C@H](NC(=O)CCS(C)(=O)=O)C(C)(C)C)o1 71072356 HIHVFKSCRLEACK-AWEZNQCLSA-N 315.435 2.480 0 40 DEAB NC(=O)CC1CCN(C(=O)C2CC(c3ccccc3)C2)CC1 71833079 YBZZEWUCXYEPKA-UHFFFAOYSA-N 300.402 2.294 0 40 DEAB COCCNC(=O)Cc1csc(Nc2ccc(F)cc2)n1 16850168 JPWFGAXYXAHVSS-UHFFFAOYSA-N 309.366 2.331 0 40 DEAB Cc1cccc(CC(=O)N2CCC[C@H]2c2nc(C)cc(=O)[nH]2)c1 19234713 JJUNWDXMYVKONN-HNNXBMFYSA-N 311.385 2.293 0 40 DEAB COC(=O)c1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1 226324054 FGXFWVAUASNERR-UHFFFAOYSA-N 313.357 2.374 0 40 DEAB O[C@]1(COc2cccc(F)c2)CCN(Cc2cscn2)C1 643914950 ZSTOFDSMKHLCMG-OAHLLOKOSA-N 308.378 2.298 0 40 DEAB c1c(C2CCOCC2)nc(C2CC2)[nH]c1=NC[C@@H]1CCCO1 1888850421 ZWHPTMZCFQSTLT-AWEZNQCLSA-N 303.406 2.261 0 40 DEAB COc1c(C)cnc(CN2CCC[C@H](NC(=O)C3CC3)C2)c1C 1888853767 LYWUHRJNONZNJY-HNNXBMFYSA-N 317.433 2.198 0 40 DEAB CCOC(=O)C1CCN([C@@H](C)C(=O)NCc2cccs2)CC1 15025007 QFONKLHGHOVLBF-LBPRGKRZSA-N 324.446 2.028 0 40 DEAB COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)O)C2=O)cc1 33931562 RONGUDWUOIRGNR-LBTPYSACSA-N 307.327 2.205 0 40 DEAB CC(=O)Nc1cccc(N[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 37207270 CAMOURGHACJTSA-RWMBFGLXSA-N 319.405 2.081 0 40 DEAB Cc1nc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)cs1 1565545353 GAQHZBXYDTWURL-UKRRQHHQSA-N 323.462 2.023 0 40 DEAB COCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036594 WWJHRDOQDSIPPV-UHFFFAOYSA-N 314.341 2.063 0 40 DEAB Cc1cc(-c2nnc(NC(=O)CCc3ccccc3)o2)n(C)n1 13614723 XJGXNJRMWUISHV-UHFFFAOYSA-N 311.345 2.350 0 40 DEAB C[C@]1(C(=O)N2C[C@H]3CN(CC4CC4)C(=O)[C@H]3C2)CC=CCC1 2055772301 SNLJMJLQIHAOTH-VKJFTORMSA-N 302.418 2.060 0 40 DEAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)CC(=O)[C@@]2(C)C1 100113075 BMYHFWLOJVCQEQ-KJWYOANISA-N 313.353 2.190 0 40 DEAB CCc1cnc(N2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)nc1 2086860438 UPUJHXLNLUCDPM-ZIAGYGMSSA-N 313.380 2.146 0 40 DEAB COC(=O)N1CCC(CNC(=O)CCc2ccccc2)CC1 43982091 RHHDVMPZFQBKTR-UHFFFAOYSA-N 304.390 2.214 0 40 DEAB CCCCOc1ccccc1[C@H]1C=C(C(=O)O)Nc2ncnn21 101347848 RISIHKKZWLXCEN-CYBMUJFWSA-N 314.345 2.440 0 40 DEAB O[C@@]1(CN[C@@H]2CCc3c(Br)cccc32)CCOC1 91405853 ZSLRWXJUOUDBSQ-ZIAGYGMSSA-N 312.207 2.177 0 40 DEAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccncc2)CN1CC1CC1 46332542 YGBOHGQJZXTIPY-JKSUJKDBSA-N 313.401 2.004 0 40 DEAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)[C@@H]1CCCO1 52431065 CXWPKCLKDFQLPI-PELKAZGASA-N 319.386 2.295 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1nc(C(F)(F)F)cs1)C(C)C 32832693 SGNZECRDQYEZGB-QMMMGPOBSA-N 309.313 2.261 0 40 DEAB CC(C)Cn1nnnc1SCC[S@@](=O)c1ccccc1 32931533 CYJAPNKKXQVEHU-FQEVSTJZSA-N 310.448 2.229 0 40 DEAB Cc1cc(C)cc(C(=O)NCCCCN2CCN(C)CC2)c1 41362386 BDGRWGHKCMRHDP-UHFFFAOYSA-N 303.450 2.061 0 40 DEAB CCc1c(C(=O)Nc2nc[nH]n2)cnn1-c1cccc(Cl)c1 23140534 ZMEQIAWYKCVUDK-UHFFFAOYSA-N 316.752 2.459 0 40 DEAB COc1ncccc1NS(=O)(=O)c1ccc2c(c1)CCC2 47521106 DZTAAUQXQRBTDP-UHFFFAOYSA-N 304.371 2.380 0 40 DEAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)NC[C@H](O)c1ccsc1 76088265 GORVZXTZBBBBDV-FQUUOJAGSA-N 324.446 2.284 0 40 DEAB CC(C)CN(C)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 76018905 JHBYYFFYJITCPL-UHFFFAOYSA-N 319.373 2.340 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 43271226 HCVLANMYKFNUML-LLVKDONJSA-N 323.784 2.010 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)n(C)n1 43435031 UXWDYXDREPUKOY-AWEZNQCLSA-N 319.384 2.292 0 40 DEAB O=S(=O)(Nc1ccc(F)cc1OCC1CC1)c1cn[nH]c1 76937968 DMGSOTUCSUGWBA-UHFFFAOYSA-N 311.338 2.138 0 40 DEAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccco1 25462903 VBKBLTVROMZGAU-NWDGAFQWSA-N 302.330 2.355 0 40 DEAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NCc1cccnc1 67889939 RGRMEXCMPHKLMM-CJNGLKHVSA-N 301.390 2.309 0 40 DEAB biogenic,in-vitro CC[C@@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57521759 CLODCTWKJOMRGQ-SECBINFHSA-N 322.434 2.060 0 40 DEAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1nccs1 10022637 GIPYOBYFBPYMPA-AWEZNQCLSA-N 317.414 2.465 0 40 DEAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NCC(C)C 58210192 HUBOUUDYSQKWDN-UHFFFAOYSA-N 310.419 2.056 0 40 DEAB O=S(=O)(NCc1ccc(OCC2CC2)nc1)c1ccccc1 58281806 ZQPOYDNJKZUIEP-UHFFFAOYSA-N 318.398 2.349 0 40 DEAB O=c1c2sccc2ncn1Cc1nnc(Cc2ccccc2)o1 58331420 MMUFCULHVRTXQV-UHFFFAOYSA-N 324.365 2.480 0 40 DEAB CCCNC(=O)CN(C)C(=O)c1cc2ccccc2n1CC 58438567 DEAHZKNAHYVXPV-UHFFFAOYSA-N 301.390 2.259 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)Nc1ncc(C)s1 10555982 AJMSDPGIIKPMPW-UHFFFAOYSA-N 319.386 2.219 0 40 DEAB O=C(NCc1ccnc(-n2cccn2)c1)OCC(F)(F)F 48251201 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O=C(c1ccccc1)c1ccc2[nH]c(S(=O)(=O)O)nc2c1 8701357 UDIQSSGUXKJPOL-UHFFFAOYSA-N 302.311 2.041 0 40 DEAB COCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 65625606 BZCRMANFUKWREG-IAGOWNOFSA-N 302.418 2.288 0 40 DEAB O=C(NC1CCCC1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4731738 MGZUADVHUQDVAF-AWEZNQCLSA-N 318.392 2.276 0 40 DEAB C[C@H]1CCCCN1C(=O)COC(=O)c1n[nH]c2ccccc12 4823245 RXBSJXBWEACSQI-NSHDSACASA-N 301.346 2.121 0 40 DEAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3CN(C)C)cn12 66948790 BAJKSWLJKRRYTG-CQSZACIVSA-N 300.406 2.199 0 40 DEAB O=C(Cn1nnc2ccccc21)Nc1ccc2c(c1)OCCCO2 6999489 POURWOYOMHNJRV-UHFFFAOYSA-N 324.340 2.231 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccco3)n2)cc1 7019609 WOWIJQWHFUEDHV-GFCCVEGCSA-N 311.345 2.119 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)Cn1cncn1 110667874 ARPAMHMJBFNEPW-FRRDWIJNSA-N 311.455 2.030 0 40 DEAB CCn1cnnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 7868104 YPHPOYBYLYNTTL-UHFFFAOYSA-N 306.391 2.421 0 40 DEAB COc1ccc([C@H](CNC(=O)c2cc(C)on2)N(C)C)cc1 7987200 FHKPHOJPBNFSJB-HNNXBMFYSA-N 303.362 2.024 0 40 DEAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CC(=O)N(C)C1 69349003 CBSVCZGGPGWZMH-ZJUUUORDSA-N 312.822 2.168 0 40 DEAB CC(C)c1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)nn1C 97018010 RSUAGGDUOZJMQU-CQSZACIVSA-N 301.346 2.099 0 40 DEAB CCC(CC)[C@@H]1C[C@@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)CCO1 97048278 KMBWJVHBWIZFLQ-UKMLZYKCSA-N 310.438 2.206 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2csc(-c3ccoc3)n2)C1 96479556 GBIBDKKTHATLND-VIFPVBQESA-N 306.343 2.340 0 40 DEAB COC(=O)N1CCCN(C(=O)[C@H](C)Cc2ccccc2F)CC1 96414388 KLHDCPHNGBYILD-CYBMUJFWSA-N 322.380 2.305 0 40 DEAB CC[C@H](C(=O)N[C@@H]1COc2c1ccc(C)c2C)N1CCCC1=O 96436341 SJOJEOYLLYDOJS-HUUCEWRRSA-N 316.401 2.254 0 40 DEAB CC(C)(C)c1noc(CN2CCCC[C@@H]2Cn2cncn2)n1 71876325 BDFOMVLROOWXRG-GFCCVEGCSA-N 304.398 2.013 0 40 DEAB C[C@H]1COC2(CCN(C(=O)c3cc(F)cc4[nH]cnc34)CC2)O1 72291743 HCQLWDRHNDNCAM-JTQLQIEISA-N 319.336 2.070 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1ncnc2c1CCC2 72268347 GYGPZGUCZCHZFU-JKSUJKDBSA-N 314.433 2.335 0 40 DEAB 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316.708 2.293 0 40 DEAB O=[S@@](Cc1csc(-c2ncccn2)n1)C[C@@H]1CCCCO1 84614853 LNWSJBHIXABYBG-LAJNKCICSA-N 323.443 2.418 0 40 DEAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccn(C)c(=O)c1 84700047 VLFKRGIVHZXKDR-CYBMUJFWSA-N 311.385 2.261 0 40 DEAB O[C@@H](C[C@H]1COCCN1CCc1ccncc1)c1ccco1 95418550 YQLCWAZNRLEGPL-HOTGVXAUSA-N 302.374 2.042 0 40 DEAB CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C1 95424933 WQEPLKYUEWGIGE-LSDHHAIUSA-N 309.454 2.214 0 40 DEAB Cc1cc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)nn1C 95974387 BYBIXNNWKYWFLE-YUTCNCBUSA-N 304.394 2.198 0 40 DEAB CN1N=C(C(=O)Nc2cccnc2-c2ccccc2)CCC1=O 95974338 FSLSSBKWLBZNNQ-UHFFFAOYSA-N 308.341 2.295 0 40 DEAB CCN(Cc1ccccc1C)C(=O)C[C@H]1C=CS(=O)(=O)C1 74521706 ZBOHJUQMUBOPHS-CQSZACIVSA-N 307.415 2.292 0 40 DEAB O=C(NCCc1cn2ccccc2n1)[C@@H]1CCc2cccc(O)c21 553245123 MRZQFQUWRLOVFR-OAHLLOKOSA-N 321.380 2.429 0 40 DEAB Cc1cc(C)c(N2CC[C@H](NCc3cncn3C)C2=O)c(C)c1 188944757 DXNUGZOAJMAGPH-INIZCTEOSA-N 312.417 2.240 0 40 DEAB 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40 DEAB COc1cccc(CCCN2CCC[C@@H](N3CCNC3=O)C2)c1 96424158 ZSSCLDZVBJXJIF-MRXNPFEDSA-N 317.433 2.117 0 40 DEAB CCOC[C@@H]1CN(CC2CCOCC2)Cc2cn(CC)nc21 96059924 XQFQVBBLXBHYPM-INIZCTEOSA-N 307.438 2.265 0 40 DEAB CCN(CC)C[C@@H]1CN(CC2CCOCC2)Cc2cncn21 248253560 NFRKXXNHQQMBIP-QGZVFWFLSA-N 306.454 2.008 0 40 DEAB COc1ccc(C[C@@H]2CN(C(=O)c3coc(C)n3)CCO2)cc1 257207733 BIZRPVFWWJNATE-OAHLLOKOSA-N 316.357 2.075 0 40 DEAB Cc1nc(-c2ccc(O)c(C(=O)O)c2)cc(C2CCNCC2)n1 257306685 SVIWWXHCSYBIJS-UHFFFAOYSA-N 313.357 2.323 0 40 DEAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)Cc1cccc(F)c1 257204820 AWKFCROPIYBAKD-HZPDHXFCSA-N 318.392 2.370 0 40 DEAB Cc1cc2nc([C@@H]3CCCCN3C(=O)c3cnco3)ccn2n1 257308857 TYKNTBKXNYMSIK-ZDUSSCGKSA-N 311.345 2.393 0 40 DEAB Cc1ccnn1CCC(=O)N1CCC[C@@H](Cc2cccnc2)C1 257212096 CBYAALCISQWJPV-KRWDZBQOSA-N 312.417 2.458 0 40 DEAB COC(=O)[C@H]1CCCCN1C(=O)c1cn(C)c2ccccc12 42648410 OBCXRFCTVKNMKY-OAHLLOKOSA-N 300.358 2.346 0 40 DEAB COC(C)(C)C(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257317203 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2.330 0 40 DEAB CC[C@@H](C)c1csc(NC(=O)N[C@@H](C)Cn2cncn2)n1 78938353 JNHZTPJIPAWIQM-ZJUUUORDSA-N 308.411 2.458 0 40 DEAB O=C(NC[C@H]1CCCO1)N(C[C@@H](O)c1ccccc1)C1CC1 78999311 KSGRJSFQUTVYLI-HZPDHXFCSA-N 304.390 2.073 0 40 DEAB Cc1ccc(NC(=O)N(C)Cc2ccco2)cc1-n1cnnn1 44245880 YSQCWIFPMHZRLM-UHFFFAOYSA-N 312.333 2.228 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc2ccccc2nc1[O] 102856962 NVTYSGWCNZQUGR-ZDUSSCGKSA-N 312.305 2.180 0 40 DEAB Cc1cn2nc(NC[C@H]3COc4ccccc4O3)sc2n1 26692446 HUOHRNLALNZULD-JTQLQIEISA-N 302.359 2.351 0 40 DEAB Cc1cccc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)c1C 57818620 ZSIPARZMHBQZQT-OAHLLOKOSA-N 301.434 2.093 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1 58171696 SARIVWSUMBTOAW-MCIONIFRSA-N 311.470 2.314 0 40 DEAB CCn1c(=O)n(CC(=O)N[C@@H](C)c2ccncc2)c2ccccc21 44891524 JHFVNWCOZLVRTJ-ZDUSSCGKSA-N 324.384 2.095 0 40 DEAB CCOC(=O)/C(=C/c1ccc(C(=O)OC)cc1)c1nccn1C 58215980 MLUKSXJBKAUSHP-SDNWHVSQSA-N 314.341 2.310 0 40 DEAB O=C(Cn1cccnc1=O)N[C@@H](c1ccccc1)C1CCCC1 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18166195 OOZLGRFMKGSZOX-GOSISDBHSA-N 313.401 2.455 0 40 DEAB Cc1cnn(C[C@H](C)NCc2nc(Cc3ccccc3)no2)c1 69528697 IQXYSORZAIXGGW-AWEZNQCLSA-N 311.389 2.344 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1 69538693 KKZKFZSBAJKTLT-KBPBESRZSA-N 318.446 2.024 0 40 DEAB Cc1nc(CN2CCCN(C(=O)c3cccn3C)CC2)cs1 69979565 WXZZYXLZBZVFNV-UHFFFAOYSA-N 318.446 2.138 0 40 DEAB Nc1cc(-c2ccc(Cl)cc2)nn1C(=O)c1n[nH]nc1Cl 4817747 MSVOKKXGRGBWJR-UHFFFAOYSA-N 323.143 2.246 0 40 DEAB Nc1cc(F)ccc1C(=O)OCC(=O)Nc1c(F)cccc1F 7374521 MOIOKHFCRWTGDV-UHFFFAOYSA-N 324.258 2.482 0 40 DEAB O[C@@H](CNCc1cccc(F)c1)COc1ccc2c(c1)OCO2 67976026 UYGUHVUOGMBZGT-AWEZNQCLSA-N 319.332 2.084 0 40 DEAB CC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)O)cc1O 71286354 NJGLUTRRRCXFEI-UHFFFAOYSA-N 313.309 2.474 0 40 DEAB Cc1nn(C)cc1CN[C@H]1CCc2nnc(-c3ccccc3)n2C1 96000240 VMKPMFDQLLTKFE-INIZCTEOSA-N 322.416 2.092 0 40 DEAB O=C(NCCc1ccccn1)c1c[nH]c2c(F)cccc2c1=O 79493615 LBROGZYRIWHZOV-UHFFFAOYSA-N 311.316 2.035 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCC(F)(F)F 79452606 SVLCWHFVLOFWHA-SECBINFHSA-N 310.316 2.455 0 40 DEAB O=C(CN1CC[C@H](c2cccc(F)c2)C1)NCC(F)(F)F 71856533 IGYXBKMECLTTQM-NSHDSACASA-N 304.287 2.294 0 40 DEAB O=C(NC[C@H]1CCCO1)Nc1cc(F)ccc1-n1cccn1 71883779 DVOUXNLLHKSKMA-GFCCVEGCSA-N 304.325 2.312 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)CCc1cccs1)CC2 72294800 WPOLSOPWUCFAGU-CABCVRRESA-N 323.458 2.459 0 40 DEAB O=C1CC[C@@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)N1 72297714 NBHYWECECQUNTR-ZDUSSCGKSA-N 306.337 2.364 0 40 DEAB O[C@@H](CN1CCn2ccnc2C1)c1cccc(C(F)(F)F)c1 97201578 IEYVVDNDYLAJQH-ZDUSSCGKSA-N 311.307 2.451 0 40 DEAB Cc1nc([C@@H]2CCCN2CCn2c(=O)oc3ccccc32)no1 95393681 SNJHRORVINRMFI-ZDUSSCGKSA-N 314.345 2.123 0 40 DEAB Brc1ccc(N2CCC(C3OCCO3)CC2)nc1 95399768 XUBAIVNCQNUGPK-UHFFFAOYSA-N 313.195 2.433 0 40 DEAB CNC(=O)C(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C)cc1 95445440 XDVNQUUALDRGCX-UHFFFAOYSA-N 324.340 2.125 0 40 DEAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cn2cccnc2n1 95423372 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72385643 VFLXTCDBVXGRJH-AWEZNQCLSA-N 301.394 2.367 0 40 DEAB CCc1ncc(CN2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)cn1 72343305 ABDJZTMBWZEERC-HZPDHXFCSA-N 308.385 2.274 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2cnc(-c3ccccc3)cn2)C1 72360733 FJLYOTFJOZISSP-CQSZACIVSA-N 317.414 2.283 0 40 DEAB CCn1nc(C)c(C(=O)N[C@H]2CCCc3c2cnn3C)c1C 71195854 DZEJAOYENNQRSB-ZDUSSCGKSA-N 301.394 2.061 0 40 DEAB Cc1noc(-c2cccnc2N2CCC3(CC2)OC[C@@H](C)O3)n1 78294704 VOYRDSHMDXVHDO-LLVKDONJSA-N 316.361 2.172 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2occc(=O)c2c1 71288357 JUEVJDCTZPFJQY-QWHCGFSZSA-N 301.298 2.088 0 40 DEAB O=C(Cn1cnc2ccccc21)Nc1nc2c(s1)COCC2 77155537 BTVJGILMVJABHU-UHFFFAOYSA-N 314.370 2.204 0 40 DEAB CCN1C(=O)CCC12CCC(NC(=O)c1cscn1)CC2 96228536 CJWWTGGUMDZVJP-UHFFFAOYSA-N 307.419 2.197 0 40 DEAB Cc1ccc(CN2CCCn3c(nnc3CN(C)C(C)C)C2)o1 96259711 VLXWWKLXCKOJBD-UHFFFAOYSA-N 317.437 2.426 0 40 DEAB COc1ccccc1N1CCC[C@@H](Nc2ncnc3[nH]cnc23)C1 96409553 JCCJFNHCULZANK-GFCCVEGCSA-N 324.388 2.442 0 40 DEAB CN1CCC[C@H]1CCN1CCOC[C@@H]1CC(=O)c1ccccc1 97095942 ADLYBIRYGBHAFO-ROUUACIJSA-N 316.445 2.445 0 40 DEAB CO[C@@H]1CO[C@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 96072181 DUNYMBAIDIGQOO-YVEFUNNKSA-N 300.358 2.188 0 40 DEAB O=C1NC(=O)c2ccccc2/C1=C/c1ccc2c(c1)OCCO2 98000756 DFEDQNYWGOHRDH-ZROIWOOFSA-N 307.305 2.268 0 40 DEAB COc1ccc(CN2CCC[C@H](N3CCNC3=O)C2)c(Cl)c1 96455471 FYSJFGPOJVFTNO-ZDUSSCGKSA-N 323.824 2.338 0 40 DEAB O=C1C[C@H](c2cccnc2)C2(CCN(Cc3ccncc3)CC2)N1 96061461 OMEYPAFBNLAJRI-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB CCN(CCN(C)C)Cc1cnc([C@@]2(C)CCCCO2)nc1 257203518 AQKXAFQRFVHQHK-QGZVFWFLSA-N 306.454 2.276 0 40 DEAB CN1CCC(N2CC[C@H](Oc3cccc(F)c3)[C@@](C)(O)C2)CC1 257214799 CNLPTLPVVCPWCI-ROUUACIJSA-N 322.424 2.124 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)NC2CCCCC2)cc1 298131497 XXUDWXQHFSTIPC-UHFFFAOYSA-N 304.390 2.150 0 40 DEAB O=C([C@H]1CCCO1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 52916949 RYZSAAMVKKESKI-DZGCQCFKSA-N 303.358 2.300 0 40 DEAB COCCN(C)CCNC(=O)c1ccccc1C(F)(F)F 69444414 FZRKZVNUSDFWPV-UHFFFAOYSA-N 304.312 2.013 0 40 DEAB CCCn1nnnc1CN1CCSC[C@H]1c1ccccc1 72286225 CFJGLJXGZILJGW-AWEZNQCLSA-N 303.435 2.373 0 40 DEAB Cc1csc(NC(=O)NCc2nnc(C3CCC3)n2C)n1 97162154 JXJSQWOKXDOVGA-UHFFFAOYSA-N 306.395 2.169 0 40 DEAB Cc1cc(O)n(-c2cc(Cl)c(S(=O)(=O)O)cc2Cl)n1 100020476 PYAOPBJJNCTWCB-UHFFFAOYSA-N 323.157 2.440 0 40 DEAB Cc1nn(C)c(C)c1CNCC(C)(C)NC(=O)OC(C)(C)C 96459574 KTDVVSIBUTZJAT-UHFFFAOYSA-N 310.442 2.430 0 40 DEAB Brc1cnn(CC2CN(C[C@H]3CCCCO3)C2)c1 1889065065 AJDDFWNIWHQKEZ-CYBMUJFWSA-N 314.227 2.147 0 40 DEAB Cc1ccc(CN(CCCN2CCOCC2)C[C@H]2CCOC2)o1 13992795 YCFSOTOOUZQDQL-QGZVFWFLSA-N 322.449 2.149 0 40 DEAB CC(C)CN(C(=O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 4504910 GECPFKYLURKLSH-LLVKDONJSA-N 301.433 2.033 0 40 DEAB CCc1cnc(N2CCC[C@H](COc3ncc(C)cn3)C2)nc1 1776001059 XKBQMDNUJSRARC-HNNXBMFYSA-N 313.405 2.433 0 40 DEAB Cc1csc(C(=O)N2CCC3(CC(NC(=O)N(C)C)C3)C2)c1 2056214962 QRPDBXZHJQOLQQ-UHFFFAOYSA-N 321.446 2.322 0 40 DEAB O=S(=O)(NC[C@@H]1CCCN1c1ccccc1)c1cccnc1 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O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)NC(=O)NC1CCCC1 102249437 JAVHWSZUKYOSCI-AVGNSLFASA-N 322.405 2.124 0 40 DEAB O=C(CSc1nc(-c2ccco2)n[nH]1)NCc1ccco1 32873543 QWFLTSWBIPQULQ-UHFFFAOYSA-N 304.331 2.066 0 40 DEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2nccs2)cc1 10253147 ZGLOAGNASTUPGH-UHFFFAOYSA-N 310.400 2.118 0 40 DEAB CCN(CC)c1ccc(N2C[C@H](C(=O)OC)CC2=O)c(C)c1 57367099 IDVFCIAQGPRFKC-CYBMUJFWSA-N 304.390 2.367 0 40 DEAB COc1ccc2[nH]c3c(N(C)CC(OC)OC)ncnc3c2c1 526233 OXPHALQCMHFDAV-UHFFFAOYSA-N 316.361 2.175 0 40 DEAB biogenic O=C1O[C@@H](C(=O)N2CCc3sccc3C2)Cc2ccccc21 22597948 FOCOCHAOOIIKPW-CQSZACIVSA-N 313.378 2.415 0 40 DEAB CCn1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)ccc1=O 47181566 WLBYZVUZZFIFSY-AWEZNQCLSA-N 318.760 2.464 0 40 DEAB COC(=O)CCCCCNC(=O)Cc1ccc(OC)cc1OC 24467145 YXJCCZDYTVSIAE-UHFFFAOYSA-N 323.389 2.096 0 40 DEAB CCc1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1 23864062 PDASJARVVXAUSA-UHFFFAOYSA-N 318.398 2.166 0 40 DEAB Cc1cc(C)cc(N2CC[C@@H](C(=O)NCc3cccnc3)C2=O)c1 34676089 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O=C(NCCCCc1ccccc1)c1cccnc1-n1cncn1 44906844 UNROBSRGQPEFJA-UHFFFAOYSA-N 321.384 2.415 0 40 DEAB O=C(NCc1cc[nH]n1)NC[C@@H](c1ccco1)N1CCCCC1 44966347 VGNMZFDKWIHGSC-AWEZNQCLSA-N 317.393 2.029 0 40 DEAB NC(=O)COc1cccc(C(=O)Nc2cccc3cccnc23)c1 28433009 AKKOBRZLXBWVCY-UHFFFAOYSA-N 321.336 2.351 0 40 DEAB CCn1c(=O)n(CC(=O)N(C)Cc2ccccc2)c2ccccc21 12771215 GUMOECWIMDUZMJ-UHFFFAOYSA-N 323.396 2.482 0 40 DEAB CCOC(=O)CN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1 38013330 QYMKOKRYNOGAIY-UHFFFAOYSA-N 319.810 2.302 0 40 DEAB O=C(NCCc1noc(-c2ccccn2)n1)NCC1CCCC1 69817833 YYIBUAYKOSYXFR-UHFFFAOYSA-N 315.377 2.164 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69560313 LLOYFPBPHHXCSR-NWDGAFQWSA-N 308.451 2.192 0 40 DEAB C[C@H](Sc1nncn1C)C(=O)NC[C@H](C)c1ccccc1 12976524 HCGAZUFNFXDLJN-RYUDHWBXSA-N 304.419 2.216 0 40 DEAB COC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCC2 3634132 GWMTWDVPECKOSZ-UHFFFAOYSA-N 311.359 2.217 0 40 DEAB Cc1cnc(C(=O)N2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cn1 91761613 ZLSGCYIYOGRJML-ABAIWWIYSA-N 319.311 2.011 0 40 DEAB Cc1[nH]ncc1C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 64298793 WCBQDSUIEKHAKZ-UHFFFAOYSA-N 316.380 2.252 0 40 DEAB CCOC(=O)C1=C(C)[C@H](c2ccc(OC)cc2)NC(S)=N1 13858345 BQZLSAVUOZKFFZ-GFCCVEGCSA-N 306.387 2.462 0 40 DEAB Cc1cc2n(n1)C[C@H](CNCC1(N(C)C)CCCCC1)CN2 65621292 OEGCPRYCJSUSEB-OAHLLOKOSA-N 305.470 2.087 0 40 DEAB COc1ccc(CNC[C@@H]2CN(C)CCO2)c2ccccc12 65611148 PGGYQKPDYYRWOJ-OAHLLOKOSA-N 300.402 2.269 0 40 DEAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N1CCOCC1 67441782 WAYHKDXGRQQZLA-IBGZPJMESA-N 324.424 2.419 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1ccccc1Cl 71416952 DGHYOZPFGOUGMQ-VXGBXAGGSA-N 316.792 2.298 0 40 DEAB COc1ccc(C)cc1COC(=O)[C@H](CC(C)C)NC(N)=O 8315441 VSZPRSWIWFIGKW-ZDUSSCGKSA-N 308.378 2.130 0 40 DEAB c1ccc(-c2n[nH]c(SCc3noc(C4CC4)n3)n2)nc1 96409181 QZOLKDYZRFESRS-UHFFFAOYSA-N 300.347 2.419 0 40 DEAB CC(C)[C@H]1CN(C)CCN1C(=O)Nc1cnc(C2CC2)nc1 96499962 YCODHXHGSSHGPB-CQSZACIVSA-N 303.410 2.158 0 40 DEAB Cc1cccc(=O)n1CCCCN[C@@H]1CCN2CCC[C@@H]2C1 96484335 MJHQVDUIAVCTIA-IAGOWNOFSA-N 303.450 2.153 0 40 DEAB CCCc1cnc(NC(=O)N2CCC[C@@H](C(=O)NC)C2)s1 96494191 ONTUHFOAEPVWHW-SNVBAGLBSA-N 310.423 2.086 0 40 DEAB CN1C(=O)S/C(=C\c2cn(CC(=O)O)c3ccccc23)C1=O 408815555 HYWATQRLVBCEKY-SDQBBNPISA-N 316.338 2.392 0 40 DEAB Cc1ccnc([C@H](NS(=O)(=O)c2cccs2)C2CC2)n1 97046154 OROGGYTWQKBRJM-GFCCVEGCSA-N 309.416 2.276 0 40 DEAB CCc1ccc(/C=C/S(=O)(=O)N2CCC[C@H]2C(=O)O)cc1 97022308 QBIMHUHCQNICEM-MARXPDLDSA-N 309.387 2.099 0 40 DEAB Cc1cc(C)nc(SCC(=O)NCC2(O)CCCCCC2)n1 72288707 ABWKLBFLFNNUQB-UHFFFAOYSA-N 323.462 2.387 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N2CCC[C@@H]2CO)no1 95398615 VFLKTGSDWKOOOX-LLVKDONJSA-N 302.334 2.034 0 40 DEAB C[C@@H]1CN(Cc2nnc(C3CC3)o2)CCN1c1nccs1 95351859 WMIBZFZVJTZKGO-SNVBAGLBSA-N 305.407 2.114 0 40 DEAB C[C@H](CNC(=O)N(C)Cc1cnccn1)Oc1ccc(F)cc1 84638343 JJFMNVDNBZQNLU-GFCCVEGCSA-N 318.352 2.225 0 40 DEAB Cc1ccc(Br)cc1C(=O)Nn1cnnc1S 95404078 IRLUUFQVRUWCPP-UHFFFAOYSA-N 313.180 2.022 0 40 DEAB Cc1c(C(=O)N2CCOC[C@@H]2c2ncon2)oc2ccccc12 95995347 VDTJPSLGNBVBNL-GFCCVEGCSA-N 313.313 2.338 0 40 DEAB CC[C@H](C)CS(=O)(=O)Nc1cccc(N2CCOCC2)c1 95982064 YGWBXXLEZBMVHV-ZDUSSCGKSA-N 312.435 2.311 0 40 DEAB C[C@@H](CCNC(=O)c1cc2ccccc2cc1O)[S@](C)=O 95971377 STWBXCQPENPJJC-WIUDPPPLSA-N 305.399 2.432 0 40 DEAB Cc1cccn2cc(CCNc3cc(Cl)nc(N)n3)nc12 75091864 COUSXMRKTLAJPN-UHFFFAOYSA-N 302.769 2.323 0 40 DEAB O=C(Nc1cc(C2CCCC2)[nH]n1)c1cccc(-n2cnnn2)c1 75141703 MAKHHNBHHHCGSR-UHFFFAOYSA-N 323.360 2.295 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)[C@H](C)CO1 75117556 WXPJMQNHWLOJFN-CHWSQXEVSA-N 312.369 2.291 0 40 DEAB C[C@H](NC(=O)c1ccccc1)C(=O)NCC1(O)CCCCCC1 75141821 VRQOMMSPZAWJNG-AWEZNQCLSA-N 318.417 2.006 0 40 DEAB COc1cccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)c1 72239600 VNFATUBMOWPQRN-OAHLLOKOSA-N 314.341 2.418 0 40 DEAB CCOc1cc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ncn1 79438772 CNAVFGQFFIMUNW-LBPRGKRZSA-N 322.409 2.321 0 40 DEAB Cc1noc(C)c1Cc1nnc2sc(-c3cn[nH]c3C)nn12 72405995 OLXPWFBFOMGVIH-UHFFFAOYSA-N 315.362 2.080 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N[C@@H](C)[C@@H](C)CO)no1 77681779 DSESFZPUCUXZCA-UWVGGRQHSA-N 304.350 2.183 0 40 DEAB O=C(Cc1c[nH]c2cc(F)ccc12)N(C1CC1)[C@@H]1CCNC1 564806789 BYVAZOVVUDOKIU-CQSZACIVSA-N 301.365 2.202 0 40 DEAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCOC[C@@H]1CC(C)C 79306040 VEGCWEFYPMPOJI-OCCSQVGLSA-N 308.426 2.246 0 40 DEAB CN(Cc1ccncc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 72552924 LYICYUROIVSXQH-OAHLLOKOSA-N 315.377 2.121 0 40 DEAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)c1csnn1 71195610 OGNFTNUAHCGTBA-JTQLQIEISA-N 305.407 2.297 0 40 DEAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(O)nn1 30001957 MCYHTDJPARBPEZ-UHFFFAOYSA-N 309.285 2.017 0 40 DEAB CCOCCCC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 79353527 SYDNRLMHIBKREY-HNNXBMFYSA-N 305.422 2.104 0 40 DEAB Cc1cc(NC2CCCC2)nc([C@H]2CCCN2S(C)(=O)=O)n1 72364704 NLPKHUDKJNGFLU-CYBMUJFWSA-N 324.450 2.236 0 40 DEAB COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccoc1Br 225562102 DCWIHAIFWAHLMD-APPZFPTMSA-N 316.151 2.114 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222262291 GIGSGDYORBGHQR-ZBURPKILSA-N 323.348 2.169 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccccc3F)C2)nn1 225426845 QPBMSEDUBQRYIT-CQSZACIVSA-N 315.348 2.147 0 40 DEAB O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc2nn[nH]c12 225482278 CLWQSOXRCQFGFN-FZMZJTMJSA-N 302.378 2.019 0 40 DEAB O=C(CSC1CCCC1)N1CCN(C(=O)c2ccco2)CC1 60966139 WBZLSAIUDXOVIC-UHFFFAOYSA-N 322.430 2.240 0 40 DEAB CSc1ccccc1NC(=O)C(=O)NCC[C@H](O)C(C)(C)C 75157832 RQFHDYRIJXFPFB-ZDUSSCGKSA-N 324.446 2.260 0 40 DEAB O=C(CN1CCC[C@H]1CCCO)N1CCC[C@@H](C(F)(F)F)C1 195530840 PAUIMHAOTLDLHI-OLZOCXBDSA-N 322.371 2.024 0 40 DEAB Cc1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1F 42521317 RTCSJKNPRNRXQY-UHFFFAOYSA-N 308.334 2.034 0 40 DEAB CO[C@H](CNC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1 134559301 FXRDLTLOVUODRF-QGZVFWFLSA-N 322.368 2.385 0 40 DEAB CCc1nc(C)cc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 225817326 KMMFNYVBLBJWJH-AWEZNQCLSA-N 314.389 2.226 0 40 DEAB CSc1ccc(S(=O)(=O)NCC(C)C)cc1NC(C)=O 224941252 TWTXKEVNIJNHED-UHFFFAOYSA-N 316.448 2.301 0 40 DEAB Cc1cnc(C(C)(C)NC(=O)c2ccc3c(c2)OCCO3)[nH]1 576166360 NIMAGYYXVHSHAT-UHFFFAOYSA-N 301.346 2.154 0 40 DEAB Cc1cnc(C)c(NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)n1 195563957 DHOAHUWXOUVFKW-IRXDYDNUSA-N 312.417 2.141 0 40 DEAB COCC1CCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)CC1 87355536 BBGUBHDJSKXSSU-INIZCTEOSA-N 324.465 2.299 0 40 DEAB CO[C@@H]1CCN(C(=O)c2ccccc2)[C@@H]2CN(CC3CC3)C[C@@H]21 96108560 UICGQEVDYPQFOQ-RCCFBDPRSA-N 314.429 2.258 0 40 DEAB CCN(C)c1ccccc1CNC(=O)N(C)C[C@H]1CCC[C@@H]1O 95438077 FYOLWTSJIAYRFQ-WBVHZDCISA-N 319.449 2.445 0 40 DEAB Cn1nnc2c1CCN(CC1CC1)[C@H]2COCc1ccccc1 96060538 KJHIEUXAROPJKK-KRWDZBQOSA-N 312.417 2.341 0 40 DEAB COC(=O)[C@@H]1CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 96461012 CWSZTWDRSFLPBE-AWEZNQCLSA-N 320.780 2.058 0 40 DEAB CC(C)(C)N1C(=O)c2cc(Br)ccc2S1(=O)=O 98179771 WYRAONSYUSPWQF-UHFFFAOYSA-N 318.192 2.392 0 40 DEAB Cc1ccc(O)c(CN2CCC(C(=O)N(C)C(C)C)CC2)n1 91952349 NZXMOHCQUJCWMK-UHFFFAOYSA-N 305.422 2.174 0 40 DEAB CN1C(=O)C2(CCN(Cc3cnn(C)c3)CC2)[C@@H]1c1ccccc1 96080432 SWWOMQLMMIBPCT-KRWDZBQOSA-N 324.428 2.216 0 40 DEAB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238705 VZJSLEKAJQMGNA-KRWDZBQOSA-N 319.380 2.373 0 40 DEAB O=C(C1CC=CC1)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1 96239135 LKSOLGUYOWEZNI-SFHVURJKSA-N 311.385 2.003 0 40 DEAB C[C@@H](CNC(=O)c1cnc[nH]1)Oc1ccccc1Br 96451782 RTZCVWJYYSUDOF-VIFPVBQESA-N 324.178 2.370 0 40 DEAB O=C(Nc1cccn(CC(F)(F)F)c1=O)c1ccncc1F 96462338 MQHUDMSYJCRFIQ-UHFFFAOYSA-N 315.226 2.197 0 40 DEAB C[C@@](O)(CNC(=O)[C@H]1COc2ccccc21)c1ccsc1 96437392 DDDMHCZLOKQTFJ-XJKSGUPXSA-N 303.383 2.248 0 40 DEAB CCOC[C@@H]1C[C@H]2OCCN(C(=O)Cc3ccccc3)[C@@H]2C1 96082716 MSABRBUHAQLMFH-GVDBMIGSSA-N 303.402 2.272 0 40 DEAB O=C(Nc1cccc(F)c1)[C@H]1[C@H]2C[C@H]1N(C(=O)c1ccc[nH]1)C2 247459148 AASGCJZMCJLTQK-VQISRLSMSA-N 313.332 2.253 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc(C)on2)C[C@H]1c1ccccc1 257281664 OQJQBFDUCOXTRN-INIZCTEOSA-N 313.357 2.029 0 40 DEAB CNc1cc(CC2CCN([C@@H]3CCCC[C@@H]3O)CC2)ncn1 257291982 QJMLAIOOVJRSBI-CVEARBPZSA-N 304.438 2.076 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)n1 257224100 FAHPMXYDAKPLAN-CQSZACIVSA-N 323.400 2.474 0 40 DEAB COc1ccc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)cc1F 257341511 ZKQUFCWDSKXPGG-RDJZCZTQSA-N 323.364 2.244 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 257292480 QLRKFLGYQCHWDO-AWEZNQCLSA-N 323.400 2.094 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)C2CCCCC2)ncc1C(N)=O 257301277 RXSYIOFKMFJKAK-AWEZNQCLSA-N 316.405 2.128 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](c3ccc4c(N)n[nH]c4n3)C2)n1 257226502 FKWOLJZBSQIJIL-GFCCVEGCSA-N 323.404 2.331 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 298117905 SIVFCDPXECGOHC-XJKSGUPXSA-N 318.417 2.396 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@](O)(c1ccoc1)c1ccco1 390826913 REYUXHZNWGKUQH-MRXNPFEDSA-N 316.313 2.143 0 40 DEAB CC(C)C(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 575406768 SIWSESMRRNHXOK-XIRDDKMYSA-N 318.417 2.118 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)c2cnco2)C1 585274382 KCGVFBRNCCXKKQ-KRWDZBQOSA-N 316.357 2.293 0 40 DEAB CCCS(=O)(=O)[C@@H](C)C(=O)NCC1(c2ccccc2)CC1 55162945 HAOHRTYUZGWBQE-ZDUSSCGKSA-N 309.431 2.048 0 40 DEAB NC(=O)C[C@@H](NC(=O)Cc1ccc(C(F)(F)F)cc1)C1CC1 72297851 CLDUKNDTSHJHBS-GFCCVEGCSA-N 314.307 2.018 0 40 DEAB CCN(CC)[C@H]1CCN(C(=O)NCc2ccn(C(C)C)n2)C1 76087218 MNTOMNNAOXVXSW-HNNXBMFYSA-N 307.442 2.090 0 40 DEAB CN1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106670083 UTZNLINXLXEHKU-XLAORIBOSA-N 319.493 2.051 0 40 DEAB Cn1c(C2CC2)nc2c1CCN(CCC(=O)NC1CCCC1)C2 84310850 HKAPLSQYKYNRMI-UHFFFAOYSA-N 316.449 2.105 0 40 DEAB Cc1onc(C2CC2)c1C(=O)NC[C@H](C)Cn1ccnc1C 565344223 NOYARTBEEIELIE-JTQLQIEISA-N 302.378 2.431 0 40 DEAB O=C(COc1ccccc1)N1CCN(Cc2ccco2)CC1 19877303 QWLAPDFDAVXFTQ-UHFFFAOYSA-N 300.358 2.003 0 40 DEAB COc1cccc([C@@H]2CNC[C@H]2c2cc(O)n3nc(C)cc3n2)c1 12337676 ADOFWPCCWUFDTL-LSDHHAIUSA-N 324.384 2.223 0 40 DEAB CCNC(=O)N1C[C@@H]2CCC[C@]2(COc2ncnc(C)c2C)C1 1888873085 JUFWMJMECIQJHC-WMLDXEAASA-N 318.421 2.304 0 40 DEAB CC(C)(C)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1 26096553 XJBIFHAEDZPZRC-UHFFFAOYSA-N 324.446 2.002 0 40 DEAB O=C(c1cnco1)N1CC[C@@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056225032 WROAOUKWGBWVKV-HWPZZCPQSA-N 315.304 2.057 0 40 DEAB OC[C@@]12CCCC[C@@H]1CN(c1nccc(C(F)(F)F)n1)C2 2086850082 AQEKFFWMYJPZBB-MFKMUULPSA-N 301.312 2.484 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)c1nc(-c2cnccn2)no1 44121829 OUBRKWKIIWWJCS-JTQLQIEISA-N 307.313 2.118 0 40 DEAB CC(=O)N[C@H](CC(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1 40033821 WXZQFRNVLOPQMG-CYBMUJFWSA-N 320.780 2.280 0 40 DEAB COc1ccc(CN[C@H](C)Cn2cccn2)c(OC)c1OC 30904377 JTBKDOGFOGMWOL-GFCCVEGCSA-N 305.378 2.087 0 40 DEAB C[C@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)C[C@@H](C)O1 31865056 RCSYPTCFSOBTKW-TXEJJXNPSA-N 317.414 2.383 0 40 DEAB CC(C)[C@]1(C)NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 51382092 AIVFLGKLWHWJDG-DOMZBBRYSA-N 310.781 2.340 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)O 32124497 OSMDYMQYNMGAOT-BZNIZROVSA-N 318.373 2.265 0 40 DEAB biogenic C[C@@H]1CCCC[C@H]1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 2647276 KLUQXBSDAWQRHL-PSASIEDQSA-N 318.204 2.245 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccc(Cl)cc1 102206564 ZBOPIVKFAMBBNH-VTPLQMEGSA-N 305.761 2.479 0 40 DEAB COC(=O)[C@]12C=C[C@H](CC1)[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 6421273 DBGSMLLLQUEXBF-XWXWGSFUSA-N 317.385 2.060 0 40 DEAB CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 7379133 IVTCAVPDOXVMBN-SNVBAGLBSA-N 319.430 2.109 0 40 DEAB CCOC(=O)NC(=O)COC(=O)C1(c2ccccc2)CCCC1 7512439 PDVPVVUXZXBXOP-UHFFFAOYSA-N 319.357 2.314 0 40 DEAB Cc1cc(C(=O)NC[C@@H]2CCOC2)c2cnn(C(C)C)c2n1 41370537 KGNZLARGHPOMTR-LBPRGKRZSA-N 302.378 2.087 0 40 DEAB CC1(C)CCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 102919554 SWDQSGOICHDFMY-UHFFFAOYSA-N 314.385 2.350 0 40 DEAB CCn1c(-c2nonc2N)nc2cc(Br)ccc21 34372266 PHSFLYIGYQBXBP-UHFFFAOYSA-N 308.139 2.451 0 40 DEAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1n[nH]c2ccccc12 43087081 UPBYNUAZKQYWHP-ZDUSSCGKSA-N 308.341 2.059 0 40 DEAB COC1CCN(C(=O)c2sc(-c3ncccn3)nc2C)CC1 55096850 VKXBWLONFXQMIE-UHFFFAOYSA-N 318.402 2.160 0 40 DEAB C[C@H]1COCCN1[C@H](C)CNC(=O)c1cc2c(F)cccc2[nH]1 106851636 BZAPAJSFZKEMFR-NEPJUHHUSA-N 319.380 2.146 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1ccccc1Br 25380501 LAGZQAWAKYKMAB-BDAKNGLRSA-N 313.195 2.151 0 40 DEAB O=C(C[C@H]1CCCO1)Nc1ccc(CCN2CCOCC2)cc1 56040179 QEJQTCOOKNQAPW-QGZVFWFLSA-N 318.417 2.069 0 40 DEAB C[C@@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(N)=O 56585871 JDUSSNZCMIRCTD-RXMQYKEDSA-N 300.145 2.078 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c1 100199963 FGBLYDJPOBIQAJ-VGWMRTNUSA-N 323.348 2.314 0 40 DEAB C[C@H](NC(=O)N(Cc1ccccc1)CC1CCC1)C(=O)N(C)C 57485477 VSQWKUKAZNZKLI-AWEZNQCLSA-N 317.433 2.475 0 40 DEAB Cc1cccc[n+]1CCCN1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O 101612491 BLVBTWMDWYRUEH-CABCVRRESA-N 319.812 2.190 0 40 DEAB c1cc(N2CCCCC2)ccc1CCNc1ccc2nnnn2n1 57919500 GSILUEMGKPDXOU-UHFFFAOYSA-N 323.404 2.164 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1 3391896 WPYGAJDJLBMCFQ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCOC[C@@H]3C)c12 44912313 CDFYYYKYZUINBL-NSHDSACASA-N 316.405 2.261 0 40 DEAB CCS(=O)(=O)NCc1cccc(COCc2ccco2)c1 48289789 LXTVOHBPMBCSPM-UHFFFAOYSA-N 309.387 2.436 0 40 DEAB NC(=O)[C@@H]1CCCCN1Cc1coc(-c2cccc(F)c2)n1 44936875 GWCUTOWCAFVVJM-AWEZNQCLSA-N 303.337 2.321 0 40 DEAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)c2ccncc2)C1 58394352 KPKXAZKQPIVUAA-HNNXBMFYSA-N 315.417 2.383 0 40 DEAB CN(Cc1ccccn1)C(=O)CNC(=O)CC1CCCCC1 58379504 SWGLOGCAZNZMBJ-UHFFFAOYSA-N 303.406 2.127 0 40 DEAB CCc1ccc(CNC(=O)N2CCC[C@H](NC(C)=O)C2)s1 48260861 MQPDMQYYZWSAQW-LBPRGKRZSA-N 309.435 2.121 0 40 DEAB O=C1CCc2cc(OS(=O)(=O)c3ccccc3)ccc2N1 12795053 VGCPHZMKYSJWLO-UHFFFAOYSA-N 303.339 2.339 0 40 DEAB O=C(CCNC(=O)OCc1ccccc1)Nc1nccs1 36391133 IYPJSOXZFZDQPE-UHFFFAOYSA-N 305.359 2.398 0 40 DEAB Cc1cc(C(=O)NCc2ccc(N3CCCCC3)nc2)no1 48324940 PKJDQBPSRKSWGZ-UHFFFAOYSA-N 300.362 2.298 0 40 DEAB COc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1 3620661 NGHBTRHKRSVSNY-UHFFFAOYSA-N 313.353 2.211 0 40 DEAB Cc1nc2n(n1)[C@H](C(=O)Nc1cccc3ccccc13)CC(=O)N2 17058956 TZCSKJFLQFCJQI-AWEZNQCLSA-N 321.340 2.262 0 40 DEAB Cc1nn(C)cc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 28236661 SWESXCCHVIOOCL-UHFFFAOYSA-N 323.400 2.461 0 40 DEAB COCC(=O)N(c1ccc(C(C)C)cc1)[C@@H]1C=CS(=O)(=O)C1 4099704 QAQVOQWBVRTEJM-OAHLLOKOSA-N 323.414 2.100 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)CCc1cc3ccccc3o1)CC2 65473981 PXEQNTHAUVNHHH-CQSZACIVSA-N 324.384 2.397 0 40 DEAB CC(C)c1noc([C@H](C)N2CCN(C[C@@H]3CCCCO3)CC2)n1 69928318 ZREHECACPBZBES-GJZGRUSLSA-N 322.453 2.441 0 40 DEAB O=c1[nH]c(CCN2CCOc3ccccc3C2)nc2ccccc12 65615192 MFWQXFSRFMQRAZ-UHFFFAOYSA-N 321.380 2.360 0 40 DEAB CS(=O)(=O)N(Cc1ccc2c(c1)OCCO2)C1CCCC1 65626616 GJKBEKVVNMUIQG-UHFFFAOYSA-N 311.403 2.162 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccnn1C 28573113 YFAJUVWQTLGZJL-UHFFFAOYSA-N 309.373 2.153 0 40 DEAB CCc1n[nH]c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1 18219312 TZWUFDPOAVEAAW-QMMMGPOBSA-N 301.375 2.457 0 40 DEAB COc1ncccc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 66797983 YFJAXWBGLMGPRX-UHFFFAOYSA-N 312.329 2.086 0 40 DEAB Cc1cccc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 15339102 MTTFSQTWYMHIGT-UHFFFAOYSA-N 308.381 2.310 0 40 DEAB Cc1cccc(COC(=O)[C@@H](Cc2ccccc2)NC(N)=O)c1 7781484 IZRJICTYOAJYES-MRXNPFEDSA-N 312.369 2.318 0 40 DEAB Cc1ccccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 7976441 TZXVXDZJRSZMCX-UHFFFAOYSA-N 317.410 2.470 0 40 DEAB O=C(CN1CCC[C@@H]1CN1CCCCC1)NCc1ccccc1 69077895 NWXJZLFMPZDFDF-GOSISDBHSA-N 315.461 2.253 0 40 DEAB Cc1cc(F)ccc1-n1ccc(NC(=O)N[C@H](C)[C@H](C)CO)n1 96010700 HMSPFAPLQIDIIV-VXGBXAGGSA-N 320.368 2.458 0 40 DEAB CCS(=O)(=O)N(C)c1ccc(C(=O)N(C)C2CCCC2)cc1 20458384 OWJOPVFVZHKQAE-UHFFFAOYSA-N 324.446 2.487 0 40 DEAB Cc1cc(C)n(-c2nc3c(N)ncnc3n2Cc2ccccc2)n1 96319361 DFOMWZXORUYPMZ-UHFFFAOYSA-N 319.372 2.259 0 40 DEAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCC(F)(F)F)C1 96420466 LWVQMXAGFBFUHA-NSHDSACASA-N 323.359 2.133 0 40 DEAB CCC[C@H]1C[C@@H]1NC(=O)N1CCCN(c2nc(C)ns2)CC1 96440982 XJJLUVNZLPMREH-STQMWFEESA-N 323.466 2.257 0 40 DEAB CCNc1ncc(C(=O)N2CC[C@@H](Oc3ccccn3)C2)s1 96483015 UERUIGUMDQEYBG-LLVKDONJSA-N 318.402 2.263 0 40 DEAB Cc1oc(C)c(C(=O)OCn2nnc3ccccc3c2=O)c1C 9500789 HVKZIKHTVGSKPW-UHFFFAOYSA-N 313.313 2.124 0 40 DEAB O=C1C[C@@H](c2ccccc2)N(C(=O)CC[C@H]2CCCO2)CCN1 71821275 WKDMNIGYOKFKIT-CVEARBPZSA-N 316.401 2.035 0 40 DEAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCNC(=O)CC2)c1 71839490 KYPQKIVJVCFPEN-CQSZACIVSA-N 318.417 2.234 0 40 DEAB O=C(Nc1ccnc2ccnn12)c1cnn(-c2ccccc2)c1 71888844 PIWRCPDCDFOYGA-UHFFFAOYSA-N 304.313 2.167 0 40 DEAB O=S(=O)(Cc1ccccc1)Nc1ncn(-c2ccccc2)n1 97082371 DYXIPLFJFHQIOA-UHFFFAOYSA-N 314.370 2.209 0 40 DEAB COCCn1ccc2cc(NC(=O)NC[C@@H](O)C(C)C)ccc21 72294240 WYMRMBWIVUPSOR-MRXNPFEDSA-N 319.405 2.426 0 40 DEAB Cc1noc(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)n1 97142887 YVNFDBYXAVVYDU-UONOGXRCSA-N 316.361 2.098 0 40 DEAB C[S@@](=O)C[C@@H](NC(=O)c1ccncc1F)c1ccccc1 78972126 YYWTTXXJASSWJN-SZNDQCEHSA-N 306.362 2.070 0 40 DEAB Cc1nc2n(c1C)CCN([C@@H](C)c1nnnn1-c1ccccc1)C2 97201707 SMBDSIVUCQVQED-AWEZNQCLSA-N 323.404 2.052 0 40 DEAB O=C(c1ccc2ccccc2n1)N1CC[C@](O)(C(F)(F)F)C1 84595085 YCUUNTNTZQWLPU-CQSZACIVSA-N 310.275 2.374 0 40 DEAB [CH2-]c1c2ccccc2nc(S[C@@H](C)C(=O)NC(C)C)[n+]1C 23625188 FFAMSOQKVNLUQZ-LBPRGKRZSA-N 303.431 2.247 0 40 DEAB O=C(/C=C/c1ccncn1)Nc1cccc(C(=O)NC2CC2)c1 95468149 AUMUFMWBBOSTNE-VOTSOKGWSA-N 308.341 2.021 0 40 DEAB CS[C@@H]1CN(C(=O)Cn2ccc3ccccc32)C[C@H]1N(C)C 95444667 FUSQRXDOIVTXDV-HZPDHXFCSA-N 317.458 2.145 0 40 DEAB CCCCN(CCCO)C(=O)COc1ccc(C)cc1OC 95461601 XLRGWSKLMIBZBH-UHFFFAOYSA-N 309.406 2.394 0 40 DEAB O=C(Nc1ccc2nncn2c1)c1cc(Cl)c2c(c1)OCO2 95458299 PVYGVPHBLPRMKS-UHFFFAOYSA-N 316.704 2.364 0 40 DEAB CC[C@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1ccc(C)cc1 73496817 PJEWLJDEHSKDBM-HOTGVXAUSA-N 316.405 2.212 0 40 DEAB CC(C)c1nc(CN(C)[C@H]2CCN(C[C@@H]3CCCCO3)C2)no1 95961638 FDYHQMRFRMAUIV-GJZGRUSLSA-N 322.453 2.268 0 40 DEAB Cc1nccn1-c1ncccc1NCc1ccc(C(=O)N(C)C)[nH]1 95994148 YUZGUTVYARTSAH-UHFFFAOYSA-N 324.388 2.218 0 40 DEAB CC(C)CCOC1CCN(C(=O)c2ccn(C)c(=O)c2)CC1 95949517 FVJKXVWEBISJCS-UHFFFAOYSA-N 306.406 2.053 0 40 DEAB CC1=NN(C(=O)C(C)(C)C)[C@](O)(C(F)(F)OC(F)(F)F)C1 409178893 JNIGASUDFRADFX-SECBINFHSA-N 318.242 2.459 0 40 DEAB O[C@H](CNc1ncnc2cc(F)c(F)cc12)c1ccccn1 95941754 KMAKDBZWIYHXGT-CQSZACIVSA-N 302.284 2.449 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1csc2cncn12 75104207 FZUXKIUUEXQNHE-QWRGUYRKSA-N 321.402 2.342 0 40 DEAB CC(C)C(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306142574 XDTTZWZPFDIKLM-AWEZNQCLSA-N 304.390 2.124 0 40 DEAB O=C(NCCc1ccccc1)c1cccc(CN2CCOCC2)c1 38757016 QNSDUEOFOZQDFJ-UHFFFAOYSA-N 324.424 2.491 0 40 DEAB COCCNC(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 77536415 CNHDSJQGCQXBMY-ZWNOBZJWSA-N 300.786 2.362 0 40 DEAB O=C(NCCNc1cnccn1)c1cccc(Br)c1 32828248 IWOLURMUFQBNQN-UHFFFAOYSA-N 321.178 2.081 0 40 DEAB Cc1cc(NC2CCCC2)nc([C@@H]2CCCN2S(C)(=O)=O)n1 72364703 NLPKHUDKJNGFLU-ZDUSSCGKSA-N 324.450 2.236 0 40 DEAB Cn1ccc(C(=O)N(CCc2cccc(F)c2)C2CC2)cc1=O 70960088 CSJKRBYPYCZPQV-UHFFFAOYSA-N 314.360 2.372 0 40 DEAB Cc1nc(C)c(CCNC(=O)NCc2nc(C3CC3)no2)s1 78714683 RILCACCVWLJKHH-UHFFFAOYSA-N 321.406 2.062 0 40 DEAB CC(=O)N1CCC(Cc2cccc(Nc3ncccn3)n2)CC1 72355022 LGYQWKDCILFQSJ-UHFFFAOYSA-N 311.389 2.416 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3cnccn3)C2)cc1 72363874 NLVSVHFCWPZNCL-AWEZNQCLSA-N 317.414 2.353 0 40 DEAB Cc1nnc([C@@H](C)N2CCn3c(nnc3-c3ccccc3)C2)o1 76183673 UUHWZZANIAQHDT-LLVKDONJSA-N 310.361 2.213 0 40 DEAB CC1=CCC[C@H](C)[C@H]1CNCC1CCN(S(C)(=O)=O)CC1 134129280 IKRIVKFFAYWDNH-HOCLYGCPSA-N 314.495 2.240 0 40 DEAB CC(C)(C)c1cnc(CNC(=O)c2cc(O)nc(C3CC3)n2)o1 565666058 IKWVHRWXOJGZBS-UHFFFAOYSA-N 316.361 2.275 0 40 DEAB CN(C)CCNC(=O)CSCc1ccc(Cl)cc1F 224335987 FIGWWAZIQBNNKW-UHFFFAOYSA-N 304.818 2.390 0 40 DEAB CCn1ccc2nc3ncnn3c(-c3ccccc3OC)c2c1=O 40398129 MYWKXFYITOYUJL-UHFFFAOYSA-N 321.340 2.135 0 40 DEAB O=C(c1cc(F)ccc1O)N1CCN(Cc2ccco2)CC1 80000867 LYBRSEAKBHCGHB-UHFFFAOYSA-N 304.321 2.082 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)c3n[nH]c4c3CCC4)c2c1 85880050 VHTYMGYTGVHWMZ-UHFFFAOYSA-N 324.384 2.361 0 40 DEAB biogenic Cn1cnc2cc(C(=O)O[C@@H]3CCC[C@H]3n3cccn3)cnc21 195576996 LKUOBZNYIKSION-ZIAGYGMSSA-N 311.345 2.115 0 40 DEAB COc1cc2c(cc1CN1CC[S@](=O)C[C@@H](C)C1)O[C@H](C)C2 571740393 NVXPHIRMGMIZTK-SASJJMKUSA-N 323.458 2.219 0 40 DEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1C[C@H]2CCC[C@@H]2C1 96462225 BSFQRDBRYOCZKZ-VXGBXAGGSA-N 303.406 2.248 0 40 DEAB CCC[C@@H](CCc1ccccc1)NC(=O)N[C@@H]1CCN(C)C1=O 96440684 PIJYLABICONXIA-JKSUJKDBSA-N 317.433 2.318 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N(C)C[C@@H](O)C1CC1 95411159 WKRBTUPHHAPWGY-CYBMUJFWSA-N 312.797 2.261 0 40 DEAB CC(C)N1CCc2ncn(C)c2[C@H]1C(=O)N1CCCC[C@@H]1C 96147155 WTJWCLONJHNUEZ-BBRMVZONSA-N 304.438 2.129 0 40 DEAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc(F)c(Cl)c1)C2 247923826 CZUYXVCBCSYGIP-LLVKDONJSA-N 313.756 2.499 0 40 DEAB Cc1ccnc([C@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 257254411 KCYGYYWFLIUXNK-GFCCVEGCSA-N 318.402 2.072 0 40 DEAB Cc1cccnc1Nc1cc([C@H]2CCCN2CC(N)=O)ccn1 257258994 KWJVLCCDECSDPR-CQSZACIVSA-N 311.389 2.151 0 40 DEAB CCn1cnc2c(N3CCN(c4cccc(C)c4)CC3)ncnc21 299566697 GGFLTVSHCCZVAJ-UHFFFAOYSA-N 322.416 2.481 0 40 DEAB CC1(C)CC2(CCNCC2)CN1S(=O)(=O)c1ccccc1 257308817 TYFMYCKJERMFBV-UHFFFAOYSA-N 308.447 2.229 0 40 DEAB O=C(c1cnn2cccnc12)N1CCC[C@H](Cc2ccccn2)C1 257324409 WOONCJYYCZMAAL-CQSZACIVSA-N 321.384 2.219 0 40 DEAB Cc1nnc(CNC(=O)c2cccc(Oc3ccccn3)c2)o1 96122679 NHQCBWQEAGTSFI-UHFFFAOYSA-N 310.313 2.495 0 40 DEAB COc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 298762052 YYYWMZDSKKMJFY-CQSZACIVSA-N 320.414 2.440 0 40 DEAB COCCOc1cncc(C(=O)N2CCc3c(C)ccnc32)c1 585140097 BFYHQWVZXFBPDY-UHFFFAOYSA-N 313.357 2.013 0 40 DEAB COCCOCc1cccc(NC(=O)N2CCC(CO)CC2)c1 47592076 JAQTYEZPNNWARQ-UHFFFAOYSA-N 322.405 2.086 0 40 DEAB COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2)cc1 5128700 NAYZGWIXCNGIIE-UHFFFAOYSA-N 313.309 2.269 0 40 DEAB O=C(O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 12157306 NOXXXUOPFLKLJB-BBRMVZONSA-N 306.337 2.163 0 40 DEAB Cc1cc2oc(C(=O)N[C@H]3CCCOC3)cc(=O)c2cc1C 12194450 APNDALNCDFAPMV-LBPRGKRZSA-N 301.342 2.319 0 40 DEAB COCC(=O)N[C@@H](Cc1ccccc1)c1nn(C)c2ncccc12 12236053 KHDFFQRPNZBERF-HNNXBMFYSA-N 324.384 2.015 0 40 DEAB Cc1cccc([C@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)c1 12346218 XATYFJMNUFUYOD-MRXNPFEDSA-N 323.352 2.238 0 40 DEAB COc1cccc(OCc2cc(=O)n3nc(C)sc3n2)c1 13367558 VCLFZSGOEBTTOL-UHFFFAOYSA-N 303.343 2.047 0 40 DEAB COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)Cc1cccc(F)c1 585146971 ZCEHQESLYIYLFS-YIONKMFJSA-N 313.394 2.297 0 40 DEAB O=C(c1ccc(Br)o1)N1CC(Oc2cccnc2)C1 238899743 RJLHWXXODPNSKS-UHFFFAOYSA-N 323.146 2.341 0 40 DEAB COCCN1CN(Cc2cccnc2)Cn2c1nc1ccccc12 9264918 OVETUPFEPHYCSK-UHFFFAOYSA-N 323.400 2.315 0 40 DEAB Cc1cc(C(=O)Nc2nnc(-c3cccc(F)c3)o2)nn1C 38932168 BPPJRHXPTHAHPA-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB COC(=O)CCCCC(=O)c1ccc(N2CCOCC2)cc1 575358655 LTWFNULXDKYMKB-UHFFFAOYSA-N 305.374 2.439 0 40 DEAB Cc1occc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1 30982891 PNSREFNRSKCAIG-UHFFFAOYSA-N 316.342 2.391 0 40 DEAB COc1ccc2c(ccn2CCC(=O)NCCCC(=O)O)c1 40309215 YWKSNRDTECMKSV-UHFFFAOYSA-N 304.346 2.021 0 40 DEAB biogenic CCN(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1 51202746 ASWFJOLYOSBBBZ-UHFFFAOYSA-N 303.406 2.229 0 40 DEAB CCn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O 416211 RKBNGWLQKILWOF-UHFFFAOYSA-N 317.414 2.131 0 40 DEAB Cc1cc(NC(=O)Cc2cccc(F)c2)ccc1-n1cnnn1 29523996 DRXCPFIAMOVXCW-UHFFFAOYSA-N 311.320 2.291 0 40 DEAB CC(C)N(C)c1ccc(NC(=O)[C@@H]2CCN(C)C(=O)C2)cc1F 46226168 MRRNIQIMELQMGX-GFCCVEGCSA-N 321.396 2.477 0 40 DEAB C[C@H]1CN(Cc2ccc(C(=O)Nc3cn[nH]c3)cc2)C[C@@H](C)O1 29712134 PXDKMYCKGQEPGQ-BETUJISGSA-N 314.389 2.271 0 40 DEAB Cc1noc(C)c1CC(=O)O[C@H](C)C(=O)Nc1ccccc1 21493666 YPNVLNRDVIZBET-GFCCVEGCSA-N 302.330 2.404 0 40 DEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)c1cccc(Cl)c1 4299319 WDPBUGSOFADJLV-WDEREUQCSA-N 315.753 2.351 0 40 DEAB CCOc1ccccc1N1CCN(C(=O)c2ncoc2C)CC1 102321635 PINNYMOXJLIPKC-UHFFFAOYSA-N 315.373 2.344 0 40 DEAB Cc1nc(C)c(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)s1 84062489 YANQFUQRWPRJHI-SWLSCSKDSA-N 306.435 2.361 0 40 DEAB CC(=O)N1CCN(c2cccc(NC(=O)c3ccncc3)c2)CC1 41419492 COROGFKAUUFEIP-UHFFFAOYSA-N 324.384 2.002 0 40 DEAB COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@@H]1C(=O)O 33454405 HJANMUNUPZDMSM-RPTYSRGTSA-N 309.749 2.437 0 40 DEAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2cscn2)C1 50403049 PXSOCALIRIPPHV-LLVKDONJSA-N 309.435 2.044 0 40 DEAB COc1ccc(CNC(=O)c2cn(C)c3ccccc3c2=O)cc1 22234119 CKQDQRKVUQBDGJ-UHFFFAOYSA-N 322.364 2.477 0 40 DEAB COC(=O)C1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2)CC1 42236551 FOBRGEPBGXARJE-ZDUSSCGKSA-N 305.374 2.174 0 40 DEAB Cc1ncc(CN(C)CC(=O)N2CCc3ccccc3C2)s1 47259068 FDQLGRIJWSNTJN-UHFFFAOYSA-N 315.442 2.468 0 40 DEAB CC(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccn(CC(F)F)n1 78653327 FLELBERDVAMTNW-GXFFZTMASA-N 316.352 2.331 0 40 DEAB O=C1CCCN1C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 12535509 WAVIQIAXIGUORK-UHFFFAOYSA-N 319.361 2.457 0 40 DEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1C[C@H](C)O[C@H](C)C1 25374937 ZUPHJPSHCDJBKZ-MBNYWOFBSA-N 324.446 2.138 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2ccsc2)N2CCOCC2)o1 25398914 RCCZUYUYIJCJHC-CQSZACIVSA-N 320.414 2.453 0 40 DEAB CC[C@@H](CNC(=O)CCSc1nnnn1C)c1ccccc1 56256351 ABRGLCVEUYKCBR-LBPRGKRZSA-N 319.434 2.002 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@H]3C2=O)cc1 101200731 XIDKLXTXDWKNPW-ZBFHGGJFSA-N 324.311 2.427 0 40 DEAB CCN(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NCC(=O)O)CC1 100177994 KLPBZMFXLIOORL-TXEJJXNPSA-N 300.399 2.229 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1C 58194090 AAJNGSSIPIEYMM-GFCCVEGCSA-N 310.419 2.199 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)Cc2ccccc2F)n1 58180111 ZGZSVWCTIRXRLN-UHFFFAOYSA-N 315.348 2.217 0 40 DEAB O=C1NCCC2=C1Cc1ccc(I)cc12 2111067 GBCWBWWZQMTMGM-UHFFFAOYSA-N 311.122 2.121 0 40 DEAB biogenic Cc1nc(-c2cccc(N3C[C@@H](C(=O)O)CC3=O)c2)oc1C 44979152 VEMPSDSNKJPIEU-LBPRGKRZSA-N 300.314 2.396 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)Cc1noc(C(C)(C)C)n1 44938750 YMUZLKUPDXLZFE-UHFFFAOYSA-N 313.379 2.087 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 44968712 XKPXBEQYRUCMDU-KBPBESRZSA-N 313.405 2.455 0 40 DEAB Nc1ccccc1C(=O)NCCNC(=O)c1cc2ccccc2o1 10313776 NIZCUHYUWPURPO-UHFFFAOYSA-N 323.352 2.175 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(OC)c1 3329018 WPJUKEUOYMBMHS-UHFFFAOYSA-N 321.354 2.283 0 40 DEAB Cc1ccc(N2C[C@@H](C(=O)NCCc3ccccn3)CC2=O)cc1 28875870 COSNUYGOAYEWNH-HNNXBMFYSA-N 323.396 2.102 0 40 DEAB C[C@H](NC(=O)Nc1cc(F)ccc1F)C(=O)NCc1ccco1 62372828 KPYGJCHFMSUAKR-VIFPVBQESA-N 323.299 2.384 0 40 DEAB COC(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 48303897 LYCUACWEXCFUJP-UHFFFAOYSA-N 323.345 2.091 0 40 DEAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@@H](C(N)=O)C1 69538824 PDXYIJZSVOTHLE-LLVKDONJSA-N 315.398 2.066 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)[nH]n1 69657019 YKMDVJFBLUMYRY-LBPRGKRZSA-N 301.394 2.381 0 40 DEAB Cc1n[nH]cc1CNc1ccc2nnc(-c3ccccc3)n2n1 69702950 DYVXPZJEIXGPNR-UHFFFAOYSA-N 305.345 2.435 0 40 DEAB CCC(C)(C)C(=O)N1CCCN(C(=O)c2ccncc2)CC1 69741815 SKNVQXLSRLOWEA-UHFFFAOYSA-N 303.406 2.192 0 40 DEAB Cc1cc(C(=O)NC(C)(C)c2ccc3c(c2)OCCO3)on1 64314669 AWXHCGGNZNEAPO-UHFFFAOYSA-N 302.330 2.419 0 40 DEAB CCOc1ccc(C(=O)N2CCCC[C@H]2Cn2cccn2)cn1 69970429 AXVZMMIEWRBANN-HNNXBMFYSA-N 314.389 2.372 0 40 DEAB Cc1ccc(N2CCCN(c3ncnc4c3cnn4C)CC2)cc1 65439595 RSXQUQWOWGGSNS-UHFFFAOYSA-N 322.416 2.388 0 40 DEAB Cc1nn(C)c(-n2cncn2)c1NC(=O)CCC1CCCC1 65493862 PILHQVSGYWVRDC-UHFFFAOYSA-N 302.382 2.218 0 40 DEAB Cc1nn(C)c(Cl)c1Cn1c(-c2ccccc2)noc1=O 65502217 WHJLTQKAMSZLAS-UHFFFAOYSA-N 304.737 2.247 0 40 DEAB Cc1cc(-c2nnc(COC(=O)c3snnc3C)o2)c(C)o1 14125197 PQLGYBLYSFWMLG-UHFFFAOYSA-N 320.330 2.463 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1 65609215 CZXXDOHWOAINFB-LBPRGKRZSA-N 300.362 2.007 0 40 DEAB CN(CC(=O)NC1CC1)C(=O)c1ccc(C(F)(F)F)cc1 14241170 QYMCICZIUZJKIY-UHFFFAOYSA-N 300.280 2.056 0 40 DEAB COC(=O)c1ccc(=O)n(Cc2ccc(Br)cc2)c1 14381232 LOXAOQWGAZIQPJ-UHFFFAOYSA-N 322.158 2.446 0 40 DEAB COc1cccc(-c2noc(CCC(=O)N3CCCC3)n2)c1 5562981 SEVBDHUWKPTACO-UHFFFAOYSA-N 301.346 2.300 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(C)s2)c1C 14716063 UVFFBSOEDVMFIS-UHFFFAOYSA-N 308.363 2.220 0 40 DEAB C[C@H]1c2cccn2CCN1Cc1cc(=O)n2ccsc2n1 15416615 PZNVIJXZOOTSKA-NSHDSACASA-N 300.387 2.134 0 40 DEAB OCCN(Cc1ccccc1)C[C@@H](O)COCc1ccccc1 68048949 BRTOSZBMUXEDCW-LJQANCHMSA-N 315.413 2.059 0 40 DEAB Cc1occc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 7848217 KZHHVJSVJZPPTP-UHFFFAOYSA-N 302.282 2.399 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 71281248 RKNRVAYXBWCGRA-UONOGXRCSA-N 313.357 2.227 0 40 DEAB C[C@@H]1CCCN(C(=O)COCC(=O)N2CCC[C@@H](C)CC2)CC1 68784515 MOXYRBZFHBXSNH-HZPDHXFCSA-N 324.465 2.300 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NS(=O)(=O)Cc1ccccc1F 69328190 IAOCNLPXPQFJKG-AWEZNQCLSA-N 323.393 2.056 0 40 DEAB Cc1nc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)cs1 69369063 IZLVNUIUOCOKJA-GHMZBOCLSA-N 324.450 2.040 0 40 DEAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 17055390 VSTZDMISMFWZQO-HZPDHXFCSA-N 320.433 2.130 0 40 DEAB COc1ccc([C@H](CC(=O)Nc2cccnc2)NC(C)=O)cc1 9338950 HNHYMXXWJOPOBI-INIZCTEOSA-N 313.357 2.296 0 40 DEAB Cc1nn(C)cc1CN1CCC[C@@H]1C(=O)NCC1CCCCC1 93765044 YLPBPGBEKBYTPD-QGZVFWFLSA-N 318.465 2.389 0 40 DEAB C[C@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)CC(C)(C)O1 71831195 ZLUSVDKJWBYZNN-AWEZNQCLSA-N 313.401 2.441 0 40 DEAB O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)[C@@H]1CC=CCC1 71856924 CGZCJVBYWRQEFV-VXGBXAGGSA-N 311.328 2.177 0 40 DEAB C[C@@H]1CCCC[C@H]1CNC1CCN(C(=O)c2cnccn2)CC1 97086565 KIWXDLBZKVCECY-CABCVRRESA-N 316.449 2.497 0 40 DEAB O=C(NO[C@H]1CCCCO1)c1ccc(N2CCCC2=O)cc1 72058636 MYHDCZNOYJTTDJ-HNNXBMFYSA-N 304.346 2.001 0 40 DEAB O=C(CC(=O)Nc1ccc(O)c(Cl)c1)NCC(F)(F)F 97060354 XUOFCNRSVRKMEF-UHFFFAOYSA-N 310.659 2.053 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1ccncc1 72253591 GQJCKKKMDJHOJX-HNNXBMFYSA-N 313.405 2.208 0 40 DEAB C[C@@H](CNC(=O)c1nc2ccccc2[nH]1)CC1(C)OCCO1 78991628 LHNKKXMPVUGGJU-LLVKDONJSA-N 303.362 2.082 0 40 DEAB CSCC(=O)Nc1ccc(I)c(C)n1 79023003 OERHKEDYWXACQM-UHFFFAOYSA-N 322.171 2.296 0 40 DEAB CN(C(=O)c1cc(C(N)=O)c[nH]1)[C@@H](c1ccc(F)cc1)C1CC1 79018410 KTYJDZCVQUFNKP-OAHLLOKOSA-N 315.348 2.476 0 40 DEAB Cc1ccn(CC(=O)N(Cc2ccc(C)o2)C2CC2)c(=O)c1 72302034 FYRMXUZKDUDAPV-UHFFFAOYSA-N 300.358 2.249 0 40 DEAB COC(=O)CN(CCOc1ccc(C)cc1)C1CCOCC1 72305014 QMVOPKQDSIKPKW-UHFFFAOYSA-N 307.390 2.028 0 40 DEAB Cn1nc(C2CCC2)cc1NC(=O)N1CC[C@@]2(CCOC2)C1 84303602 LBCFAIMZEPDJLI-MRXNPFEDSA-N 304.394 2.332 0 40 DEAB CN(C)CCn1c(=O)oc2ccc(N[C@@H]3CCCSC3)cc21 97371022 UXBDXCKQLWHFOA-CYBMUJFWSA-N 321.446 2.464 0 40 DEAB COc1ccccc1OC[C@H](C)NC(=O)c1ccncc1F 95400410 YXOYJRZHIPFVJP-NSHDSACASA-N 304.321 2.427 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)NCC(C)(C)N(C)C)CCO2)o1 95437998 NWNQBWFIXHJMSO-AWEZNQCLSA-N 309.410 2.011 0 40 DEAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NC(C1CC1)C1CC1 89295875 JYNNFWJSLSPFJG-GFCCVEGCSA-N 303.410 2.163 0 40 DEAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC1(O)CCSCC1 75121259 RZNSDVFXMDXSTB-LSDHHAIUSA-N 305.443 2.473 0 40 DEAB Cn1cnnc1CCNC(=O)c1ccc(-c2ccccc2F)o1 75137434 HKSXZCNYGDRQHZ-UHFFFAOYSA-N 314.320 2.187 0 40 DEAB CCn1nc(C)c2c(C(=O)NCc3ccccn3)cc(C)nc21 28222213 VQWFUWQABSVATC-UHFFFAOYSA-N 309.373 2.393 0 40 DEAB CCOC(=O)c1cccc(NC(=S)NC2CCN(C)CC2)c1 63145249 NHVOIGDWQGBVOI-UHFFFAOYSA-N 321.446 2.244 0 40 DEAB CCOC(=O)c1ccc(NC(=O)c2c(C)nn(C)c2C)cc1 74667917 VBCZPBFISHQPEI-UHFFFAOYSA-N 301.346 2.466 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C2CC=CC2)cc1 129722162 WDFQHBFPFZWHAJ-ZDUSSCGKSA-N 307.415 2.240 0 40 DEAB CC1=NNC(=O)[C@@H]1CCNC(=O)C[C@H](C)Cc1cccc(F)c1 531055655 UDIPMXOWOINXDA-IAQYHMDHSA-N 319.380 2.023 0 40 DEAB COc1ccc(C[C@](C)(O)CNC(=O)c2cccs2)cc1 75155507 QBJHDCMSMUECLW-INIZCTEOSA-N 305.399 2.480 0 40 DEAB O=C1NCC[C@H]1N1CCN(c2c(Cl)cccc2Cl)CC1 186032985 IJMZTGGEEXEASC-GFCCVEGCSA-N 314.216 2.004 0 40 DEAB C[C@@H](CCOc1ccccc1)C(=O)N(C)C1CCS(=O)CC1 81833416 JTJFQPCCEPRJHB-CLRXMSQOSA-N 323.458 2.461 0 40 DEAB COc1c(C)cc(CN2CC[C@@H](C)S(=O)(=O)CC2)cc1C 192049919 SYOBOVPEVDJMQV-CQSZACIVSA-N 311.447 2.321 0 40 DEAB C[C@@H](NCCCC(=O)N1CCc2ccccc2C1)c1cnccn1 89617352 VNDNTIOXTVNDAC-OAHLLOKOSA-N 324.428 2.492 0 40 DEAB COCCN(Cc1cc(Cl)ccc1Cl)[C@H](C)C(N)=O 96424201 IVFFPWNCPSSZDD-SECBINFHSA-N 305.205 2.316 0 40 DEAB COCc1cnc2n1CCN(C(=O)C1CCSCC1)[C@@H]2C 96109606 RAYBCQDBXUOQOK-LLVKDONJSA-N 309.435 2.076 0 40 DEAB CN(C)CCn1cc(NC(=O)NCc2cc(F)ccc2F)cn1 96447203 IEQPALOBFRQWTA-UHFFFAOYSA-N 323.347 2.045 0 40 DEAB C[C@@H](CNC(=O)CCN1CCCC1=O)Sc1ccccc1 96431705 SFUIJPYOSCPJNU-ZDUSSCGKSA-N 306.431 2.296 0 40 DEAB O=C(NCc1ccco1)[C@H]1CO[C@H]2CCN(C3CCC3)C[C@H]2C1 96042660 GFMHTEOHOXIDQK-CPUCHLNUSA-N 318.417 2.175 0 40 DEAB CCn1ncc2c1CN(C(=O)c1cc(C)oc1C)C[C@@H]2COC 96044581 VHDSBXKYBNWHIF-CYBMUJFWSA-N 317.389 2.499 0 40 DEAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@H]2CC=CC[C@H]2C1 96423506 MWFYCRCGMNOHHB-ZNMIVQPWSA-N 320.458 2.113 0 40 DEAB CCOC[C@H]1c2c(cnn2C)CCN1Cc1scnc1C 96197754 SLJVLXXJBRWSIU-ZDUSSCGKSA-N 306.435 2.321 0 40 DEAB O=C1NC2(CCN(Cc3ccccn3)CC2)C[C@@H]1c1ccncc1 96199543 BDMLLXKJPLFPQF-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB O=C(NCCn1ccnc1)c1cc(-c2ccccc2Cl)[nH]n1 42720696 RWLRTGMCQRXDPZ-UHFFFAOYSA-N 315.764 2.357 0 40 DEAB Cn1cc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c2ccc(F)cc21 257222183 DSHIWZSSHZRIRK-ROUUACIJSA-N 318.392 2.433 0 40 DEAB COc1cc(N[C@@H]2CCCN([C@@H](C)C(=O)O)C2)cc(OC)c1 262816759 ZKCUFRKGJVPXFR-NWDGAFQWSA-N 308.378 2.053 0 40 DEAB Cc1noc([C@@H]2CCC3(CCN(C(=O)C4(F)CCC4)CC3)O2)n1 585113459 KNPYQGGANIUARP-LBPRGKRZSA-N 323.368 2.483 0 40 DEAB CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCCc1ccco1 69584176 VFWOEZPTTHDBPP-CYBMUJFWSA-N 324.446 2.276 0 40 DEAB O=C(c1cccc2c1OCO2)N1CCC(N2CCCC2)CC1 69515018 BPMMUFDYOACMFM-UHFFFAOYSA-N 302.374 2.116 0 40 DEAB O=S(=O)(N[C@@H]1CCCNC1)c1ccc(Cl)cc1Cl 79440479 BAVDVGXKCOYALX-SECBINFHSA-N 309.218 2.024 0 40 DEAB COC(=O)C[C@H]1CSCCN1Cc1sc(C)nc1C 89559179 DZQPJQIOPCZNNJ-NSHDSACASA-N 300.449 2.240 0 40 DEAB Cc1ccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 14183916 PCNZCWXLLYLAKY-UHFFFAOYSA-N 300.358 2.432 0 40 DEAB N=C1NC(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 16383918 ASKGJSXEKQFZIL-SSDOTTSWSA-N 318.185 2.488 0 40 DEAB COc1cccc(CN2CCC[C@H](c3nc(C)cc(=O)[nH]3)C2)c1 19117973 OODZUCYXAKOQQK-HNNXBMFYSA-N 313.401 2.467 0 40 DEAB COCCCNC(=O)c1ccc(-c2ccc(OC)cc2N)o1 226350050 BDSWDFCNNITXCQ-UHFFFAOYSA-N 304.346 2.304 0 40 DEAB COC1(CNC(=O)NCc2cccs2)CCSCC1 390827807 KJNFRJAAKGDJSS-UHFFFAOYSA-N 300.449 2.460 0 40 DEAB Cc1nc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)ccc1F 1889139128 AQWVRSKKUQJFPP-UHFFFAOYSA-N 322.365 2.248 0 40 DEAB CCCc1noc([C@H](C)N2CCC(NC(=O)C3CC3)CC2)n1 30287321 HFPRJAUUSWSBIB-NSHDSACASA-N 306.410 2.074 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)cc1F 30321220 ZVSRNMGAEXXENR-SNVBAGLBSA-N 310.350 2.269 0 40 DEAB Cc1ccnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)n1 1775973072 HEBRPXCMHJBYJM-UHFFFAOYSA-N 312.421 2.199 0 40 DEAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1ccc2ncsc2c1 575615296 CVWLAVKUDLMSFF-CYBMUJFWSA-N 315.402 2.342 0 40 DEAB c1ccc(N2C[C@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)nc1 2298048648 OTKISKDZVOBCAE-GASCZTMLSA-N 307.401 2.322 0 40 DEAB COc1ccc(-n2cc(CNC(=O)[C@H]3C[C@H]4C=C[C@H]3C4)nn2)cc1 102684614 PIMKYDCFMKXHHC-DCGLDWPTSA-N 324.384 2.104 0 40 DEAB Cc1cccc(C2(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CCC2)c1 40050480 DQGAQGDZZGLUFF-OAHLLOKOSA-N 321.442 2.062 0 40 DEAB CCOC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OCO2)C(C)C 40088288 IFMKSYFNIFDGNU-CYBMUJFWSA-N 308.334 2.125 0 40 DEAB O=C(Nc1ccccc1N1CCCCC1)[C@H]1CCS(=O)(=O)C1 40466574 MGLXYZYPEJKYFG-ZDUSSCGKSA-N 322.430 2.050 0 40 DEAB C[C@@H](NC(=O)CCN1CCSC1=O)c1nc2ccccc2[nH]1 40468203 GMHXONZUAHZQCY-SNVBAGLBSA-N 318.402 2.299 0 40 DEAB COc1ccc(Br)c(C(=O)NC2=NCCS2)c1 130920 FILDJPQVAARUPN-UHFFFAOYSA-N 315.192 2.290 0 40 DEAB CCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1 68624 UACKYABEMYKEJV-UHFFFAOYSA-N 321.402 2.399 0 40 DEAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccccc2Cl)C1 70173571 QSJTWCPTSDCNSM-WDEREUQCSA-N 302.827 2.088 0 40 DEAB NC(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CCCc2ccccc21 60291855 WVQFPYJIULZMQP-HOCLYGCPSA-N 300.402 2.363 0 40 DEAB Cc1cccc(-n2nnnc2SCC(=O)NC2CCCC2)c1 2634276 SMDAIEPGMSQTEB-UHFFFAOYSA-N 317.418 2.122 0 40 DEAB Cc1n[nH]c([C@@H]2CN(C(=O)CCCc3cccs3)CCO2)n1 76045153 JJHPHQKVXMVQSX-ZDUSSCGKSA-N 320.418 2.097 0 40 DEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(F)c1 53813974 FUHGCIAMOKHRNA-UHFFFAOYSA-N 306.362 2.036 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC1C2CC3CC(C2)CC1C3 101774761 ZBZQEVZNRMYSMZ-VQIOBRCZSA-N 315.413 2.450 0 40 DEAB CCc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1 22074582 FODXJKAGGKYLEL-UHFFFAOYSA-N 318.442 2.229 0 40 DEAB CC(=O)c1ccc(N2CCN(c3cnccn3)CC2)c(F)c1 12521624 PUCLBTFMFMJVKS-UHFFFAOYSA-N 300.337 2.145 0 40 DEAB O=C(NCCCOc1ccccc1)c1ccc(-n2cncn2)cc1 25776414 DHSXECZPVUZKIK-UHFFFAOYSA-N 322.368 2.466 0 40 DEAB Cc1ncsc1C(=O)NCC(=O)N1CCCc2ccccc21 57271378 MWMKPTMAIRUWAU-UHFFFAOYSA-N 315.398 2.161 0 40 DEAB Cc1cc(=O)n(CC(=O)NC2CCCC2)c(-c2ccccc2)n1 57526332 ZYLSENVPCJFNNN-UHFFFAOYSA-N 311.385 2.278 0 40 DEAB CCc1ccc(CN2CCC(C(=O)NCCN(C)C)CC2)cc1 172246277 BVOGRZRHIGWOFV-UHFFFAOYSA-N 317.477 2.139 0 40 DEAB Cc1cc(=O)n2nc(N(C)Cc3ccccc3F)sc2n1 44897098 GWPNPWUYLSVPBP-UHFFFAOYSA-N 304.350 2.235 0 40 DEAB Cc1c([C@H](C)NC(=O)c2cnn(C)c2)cnn1-c1ccccc1 58392506 JJIXYRYGLBYDIP-LBPRGKRZSA-N 309.373 2.405 0 40 DEAB CN(C)c1[nH]c(=O)c2ccccc2c1C(=O)OCC(F)(F)F 62150947 OGXAPHYDSJBUGF-UHFFFAOYSA-N 314.263 2.313 0 40 DEAB in-vitro Cc1cc(NCC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1C(N)=O 69622650 LEVZOQSXTJQESI-XHDPSFHLSA-N 303.406 2.201 0 40 DEAB COc1ccccc1OCCN1CCCC[C@H]1Cn1cncn1 69625574 KWTQHIWCZJGRQV-HNNXBMFYSA-N 316.405 2.220 0 40 DEAB CC(=O)Nc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCCO2)c1 48567142 WTQIGVRLUPQBNM-XHDPSFHLSA-N 305.378 2.012 0 40 DEAB CC(C)c1nn(C)cc1CNCc1cccc(Cn2cncn2)c1 48711326 IIQBBXKTNWQWEJ-UHFFFAOYSA-N 324.432 2.473 0 40 DEAB O=C(CNc1cn[nH]c(=O)c1Cl)Nc1ccc(Cl)cc1 48893860 OQEVDWUWRDUCIP-UHFFFAOYSA-N 313.144 2.127 0 40 DEAB CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1N 3887144 PMNGXIPICXHZJG-UHFFFAOYSA-N 311.451 2.290 0 40 DEAB CCn1cc(-c2nn3c(-c4ccccn4)nnc3s2)c(C)n1 49546292 PSEMSKLWBRZNLA-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB C[C@H](Oc1cccnc1)C(=O)Nc1ccc(-n2cncn2)cc1 69974882 VNIORHNZDORPST-LBPRGKRZSA-N 309.329 2.068 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@H]2C[C@H]2c2ccccc2)c(=O)[nH]1 65553389 VRWOTNPSNFLEFC-HOCLYGCPSA-N 311.385 2.347 0 40 DEAB COCCNC(=O)NCc1ccc(OC2CCCCC2)nc1 65604789 XXWAQDLAATVWLV-UHFFFAOYSA-N 307.394 2.239 0 40 DEAB O=C(OCCO)c1nc(-c2ccccc2)n(-c2ccccc2)n1 21713135 HNEDPJAVCGOCKP-UHFFFAOYSA-N 309.325 2.083 0 40 DEAB CCCN(CC(=O)O)C(=O)c1sccc1Br 82613759 IERSVPNIJUCFFG-UHFFFAOYSA-N 306.181 2.447 0 40 DEAB Cc1cc(C)c(CNC(=O)CCCOc2ccccc2)c(=O)[nH]1 7118120 SXGKGKOYTWPCCC-UHFFFAOYSA-N 314.385 2.467 0 40 DEAB CCc1ccc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC)s1 71186246 KJHRGLJJVMKQQV-QWRGUYRKSA-N 311.451 2.413 0 40 DEAB CCN(CC(=O)Nc1ccc(F)c(C(N)=O)c1)c1ccccc1 67709252 SRJJSQJUSZUBLZ-UHFFFAOYSA-N 315.348 2.390 0 40 DEAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1C)C1CC1 7329760 VQNLKGWLXVTHIP-NSHDSACASA-N 316.430 2.489 0 40 DEAB Cn1nnnc1SCc1nc(-c2ccc(Cl)cc2)no1 7419617 PREWHXLAXUURLZ-UHFFFAOYSA-N 308.754 2.206 0 40 DEAB Cc1nc2ccc(C(=O)O[C@@H](C)C(=O)NC3CC3)cc2nc1C 7558370 NOUDTENOPBUSCU-NSHDSACASA-N 313.357 2.071 0 40 DEAB O=C(CCn1cccn1)NC1(c2noc(C3CC3)n2)CCCC1 175703158 VRUMSUYLCVUETE-UHFFFAOYSA-N 315.377 2.119 0 40 DEAB C[C@@H](Cn1cccn1)NCC(=O)N(C1=CCCCC1)C1CC1 69387268 CHKINJHAUJJTJC-AWEZNQCLSA-N 302.422 2.310 0 40 DEAB O=C(O)c1ccc(CSc2nc(-c3ccncc3)n[nH]2)o1 408553455 ABWMOQGEVZAPNR-UHFFFAOYSA-N 302.315 2.450 0 40 DEAB O=C(NCCCN1CCCCC1)c1cccc(C2OCCO2)c1 96486259 HZGIZELLBREJFZ-UHFFFAOYSA-N 318.417 2.338 0 40 DEAB O=C(Nc1ccnc2ccnn12)[C@@H]1CCCN1Cc1ccccc1 71888856 ICMFGRSPONXHGK-HNNXBMFYSA-N 321.384 2.332 0 40 DEAB O=C(NC[C@H](O)COc1ccc(F)c(F)c1)[C@@H]1CC=CCC1 71856925 CGZCJVBYWRQEFV-NEPJUHHUSA-N 311.328 2.177 0 40 DEAB COC(=O)C[C@H](C)NC(=O)CCC(=O)c1cc(C)ccc1C 72280806 URQQNGCOLQLEPF-ZDUSSCGKSA-N 305.374 2.334 0 40 DEAB Cc1c(CNc2cnn(CCN3CCCCC3)c2)cnn1C 97113918 ZRFFGEUEKIURKI-UHFFFAOYSA-N 302.426 2.023 0 40 DEAB CCO[C@H](C)C(=O)Nc1ccccc1-c1nnnn1C(C)C 97107013 YPTKPKRRCIDDAM-LLVKDONJSA-N 303.366 2.285 0 40 DEAB O=S(=O)(C[C@H](O)C(F)(F)F)[C@@H]1CCc2c(F)cccc21 97378006 UZFSVNMELVNRDT-MNOVXSKESA-N 312.284 2.151 0 40 DEAB O=C(c1ccc2ccccc2n1)N1CC[C@@](O)(C(F)(F)F)C1 84595087 YCUUNTNTZQWLPU-AWEZNQCLSA-N 310.275 2.374 0 40 DEAB Cc1cc(=O)c(C(=O)NCCSCc2ccccc2)c[nH]1 72814949 OMYFAAAKFZNIDS-UHFFFAOYSA-N 302.399 2.347 0 40 DEAB Cc1cc(=O)c(C(=O)NCCCOc2ccccc2F)c[nH]1 72832579 BLKKSDHQOCSLFC-UHFFFAOYSA-N 304.321 2.021 0 40 DEAB CC(C)N1CCN(c2ccc(C(=O)O[C@@H]3CCOC3)cc2)CC1 95456266 ISYFXAOPEKSFFU-QGZVFWFLSA-N 318.417 2.163 0 40 DEAB COC(=O)c1ccc(NC(=O)CSC(F)(F)F)c(O)c1 95444301 NNKDUTPBJZNEEI-UHFFFAOYSA-N 309.265 2.370 0 40 DEAB Cc1cc(F)c(S(=O)(=O)N(C)CCCCN(C)C)cc1F 95417521 WMNALFURMCJYTD-UHFFFAOYSA-N 320.405 2.236 0 40 DEAB CC(C)(C)C(=O)NCC(=O)N[C@]1(C)CCc2ccccc2C1 95401931 XOMBVSDKBJQAKN-GOSISDBHSA-N 302.418 2.213 0 40 DEAB O=S(=O)(C(F)F)N1CCC(CNC[C@H]2CC=CCC2)CC1 95973162 MPINJACSSUTOIG-LBPRGKRZSA-N 322.421 2.197 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC(CCN(C)C)CC2)c(C)o1 95939426 XEMMCXVGSJIWQS-UHFFFAOYSA-N 314.451 2.249 0 40 DEAB O=C(Cc1n[nH]c2ccccc12)N1CCCC[C@H]1Cn1cccn1 75129556 FIUFQYAHEFMCEH-AWEZNQCLSA-N 323.400 2.383 0 40 DEAB CCOCC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 75142614 GYBXUYWFDANQME-RDJZCZTQSA-N 304.434 2.392 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1Nc1ncc(S(N)(=O)=O)s1 75105368 PUWLGPOKNJFWOY-DTWKUNHWSA-N 321.493 2.267 0 40 DEAB COc1ccccc1[C@H](NC(=O)Cc1ccn[nH]1)c1ccccn1 89959095 QIMGPTGVKNBRHN-SFHVURJKSA-N 322.368 2.262 0 40 DEAB CN1CC[C@@H](COCC2CC2)CC12CN(C(=O)C1CCC1)C2 306129261 HYTQEBKGEDEFLT-OAHLLOKOSA-N 306.450 2.136 0 40 DEAB O=C(C1CC1)N1CC[C@@]2(CCn3c(-c4ccncc4)cnc32)C1 306129779 IMRNCKCZKCBWQQ-GOSISDBHSA-N 308.385 2.229 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1C 74965981 VYOKELHMCLWWPF-LLVKDONJSA-N 311.403 2.202 0 40 DEAB COc1ccc(-c2ccnc3c2c(C(=O)O)nn3C)cc1OC 72339599 JIIKUPLAJWQPJN-UHFFFAOYSA-N 313.313 2.351 0 40 DEAB CCN(Cc1ccccc1)C1CCN(C(=O)[C@@H](N)C(C)C)CC1 79415834 SMNQMGFPLSTUTL-SFHVURJKSA-N 317.477 2.483 0 40 DEAB CCN(C[C@@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](C)N 79404478 OQAPIUONOOXKQG-DOTOQJQBSA-N 303.450 2.094 0 40 DEAB CCc1nnc(S[C@H]2CCN(c3ccccc3F)C2=O)n1C 78995316 ROOLYWVHJPACJH-LBPRGKRZSA-N 320.393 2.414 0 40 DEAB C[C@H](CNC(=O)N[C@H](C)c1nncn1C)Sc1ccccc1 80621578 ICWGEUIFUBMJGE-VXGBXAGGSA-N 319.434 2.356 0 40 DEAB COCCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C 222732427 FDVNDPDXABYOQX-LSDHHAIUSA-N 316.430 2.132 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@@H](CO)C1)Oc1cccc(F)c1 84644577 UGIGRCROEPWDFQ-UKRRQHHQSA-N 324.396 2.397 0 40 DEAB O=C(Cc1cccc(C(F)(F)F)n1)N[C@@]12CCC[C@@H]1NCC2 1580570755 AUNLPOSDCYGZOV-SMDDNHRTSA-N 313.323 2.044 0 40 DEAB COc1cccc(-c2nnsc2C(=O)NC[C@@H]2CCCO2)c1 225765049 UXIZDKBFXHBUPC-LBPRGKRZSA-N 319.386 2.123 0 40 DEAB O=S(=O)(Cc1ccon1)N(Cc1ccccc1)CC(F)F 80274616 LIOCUXAICRHGQM-UHFFFAOYSA-N 316.329 2.272 0 40 DEAB C[C@H](C(=O)N(Cc1cccc(F)c1)C(C)(C)C)S(C)(=O)=O 195570087 VMVDFECBSKMSBX-LLVKDONJSA-N 315.410 2.386 0 40 DEAB O=C(NC1CCC1)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042756 NEFVUXUCLAAUHF-NUEKZKHPSA-N 320.458 2.396 0 40 DEAB O=C(NCCCc1ccc(Cl)cc1Cl)[C@@H]1COCCO1 96445217 GHHVWSQMGSXVBE-ZDUSSCGKSA-N 318.200 2.458 0 40 DEAB Cc1ccc(N2CC[C@H]3CN(C(=O)c4ccccc4)C[C@H]3C2)nn1 96246201 BEOAEFBXZJSGHJ-DLBZAZTESA-N 322.412 2.384 0 40 DEAB Cc1cccc(CCNC(=O)NC[C@](C)(O)c2ccco2)c1 96439637 GVPLLJOOCFCKPQ-KRWDZBQOSA-N 302.374 2.337 0 40 DEAB CN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc2c(c1)CCC2 96502793 GKQZRGBRUWBXDM-CYBMUJFWSA-N 316.323 2.240 0 40 DEAB Cc1ncsc1COC(=O)c1ccccc1Cn1cncn1 96441914 ZAQKJOSFSSRGCV-UHFFFAOYSA-N 314.370 2.448 0 40 DEAB CCN(CC)c1ncc(CN2CCC(n3cncn3)CC2)s1 92647542 HOGXPYZGKLPALM-UHFFFAOYSA-N 320.466 2.418 0 40 DEAB CCc1ccc([C@H](COC)NC(=O)c2cc(C)nn2CC)o1 96423280 INMYCBWWVQFTBA-ZDUSSCGKSA-N 305.378 2.484 0 40 DEAB COC(=O)CCN(C(=O)c1ccc2c(c1)N(C)CC2)C(C)C 97373378 MWIGCAAYZXODHW-UHFFFAOYSA-N 304.390 2.093 0 40 DEAB Cn1cc(-c2ncnc3c2CCN(Cc2ccoc2)CC3)cn1 96255187 QYUUQCZSRUGUSA-UHFFFAOYSA-N 309.373 2.071 0 40 DEAB CO[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]c(C)c(C)c3c2)[C@H]1O 257203825 ARUPSHAAOZOARB-BZUAXINKSA-N 302.374 2.053 0 40 DEAB O=C(CSCc1ccccc1)N1CC(Nc2ncccn2)C1 253473685 XCQCKJLONASWJJ-UHFFFAOYSA-N 314.414 2.033 0 40 DEAB CC[C@H](NC(=O)[C@H]1CCOc2ccccc21)[C@H](O)C(F)(F)F 270807275 BPUFJUXNKYQAHN-GVXVVHGQSA-N 317.307 2.371 0 40 DEAB O=C(NCCCN1CCCC1)N[C@H]1CCOc2ccccc21 43165951 LUCNACHTCUZKTM-HNNXBMFYSA-N 303.406 2.295 0 40 DEAB CN1CCC(N[C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585283576 BWULADHKEZXRIR-RCCFBDPRSA-N 322.424 2.170 0 40 DEAB Cc1ccc(OC[C@]2(O)CCN(c3nc(C)cc(C)n3)C2)cc1 585275417 BNSYUAAJHFWQMR-SFHVURJKSA-N 313.401 2.422 0 40 DEAB CNC(=O)[C@@H](C)S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 46093926 AQZGBRVKXWPBOL-SSDOTTSWSA-N 310.202 2.043 0 40 DEAB c1ccc(-c2ncc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1 929574943 GAHWKZHAQAUNOF-KRWDZBQOSA-N 324.384 2.439 0 40 DEAB C[C@](NC(=O)[C@H]1CC1(Cl)Cl)(C(=O)O)c1ccccc1 766963484 UOEXUTLHTHRHDN-BXKDBHETSA-N 302.157 2.296 0 40 DEAB Cc1noc(C2CCN(C(=O)NCCc3ccco3)CC2)n1 61795975 APMHKZCPMYLQHO-UHFFFAOYSA-N 304.350 2.103 0 40 DEAB COc1ccc(CCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)cc1 1549747160 RLYCHRKSGSYCNW-CYBMUJFWSA-N 314.389 2.067 0 40 DEAB c1cnn(C2CN(c3nc(-c4ccncc4)nc4c3CCC4)C2)c1 69538465 WFFVZBYJAVAYQN-UHFFFAOYSA-N 318.384 2.285 0 40 DEAB O=C(NCCO)c1ccc(Cl)c(NC(=O)c2cccs2)c1 98066878 OJQOUENWIPAISZ-UHFFFAOYSA-N 324.789 2.376 0 40 DEAB CS(=O)(=O)c1ccccc1NC[C@H](O)c1ccccc1F 83990012 UXJHWNFCDVJZFB-AWEZNQCLSA-N 309.362 2.375 0 40 DEAB COc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](C)C3)C2=O)cc1 13450794 CQAJQFNBTOERDU-DOMZBBRYSA-N 302.374 2.059 0 40 DEAB C[C@@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@@H](C)O1 15375768 HRNJXRHLFQNOFD-NXEZZACHSA-N 307.781 2.186 0 40 DEAB CC(C)N1CCC(CNC(=O)COc2ccc(F)cc2)CC1 11027407 BNUZKFIKDZYBFF-UHFFFAOYSA-N 308.397 2.441 0 40 DEAB COc1ccc(N2C[C@@H](NC(=O)C3CCCC3)CC2=O)cc1 4497160 KBJSLPGOCBCTQK-ZDUSSCGKSA-N 302.374 2.107 0 40 DEAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3cccnc3)cn2)cc1 13806757 PBQCPFJAZUOWMD-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB COc1cc(CN2CCC[C@H](NC(=O)C3CC3)C2)cc(OC)c1 2086884390 JYHYCNRQOCEBJQ-HNNXBMFYSA-N 318.417 2.194 0 40 DEAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(S(C)(=O)=O)cc1 30994150 JGZPTBMXIUTHKX-LLVKDONJSA-N 310.419 2.393 0 40 DEAB Cc1ccc(NC(=O)/C=C/c2cccnc2)cc1-n1cnnn1 31994247 LWYRUJDKOTZDAN-FNORWQNLSA-N 306.329 2.018 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)Nc1cccc2cccnc12 45976580 RDTFYLLTEUMOHC-ZDUSSCGKSA-N 314.389 2.077 0 40 DEAB O=C1C[C@H](C(=O)Nc2cccc(-c3ccc4c(c3)CCO4)c2)CN1 93168748 GNXGCNLWVQJJCS-HNNXBMFYSA-N 322.364 2.363 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1 3451383 OKDQZPGPMQUWCA-GXTWGEPZSA-N 308.447 2.453 0 40 DEAB CC(C)Cc1ccc([C@H](NC(=O)Cn2cnnn2)C(C)C)cc1 32741410 UFDQVIJLZZWSTG-QGZVFWFLSA-N 315.421 2.385 0 40 DEAB COc1cc(F)c(S(=O)(=O)N(C)C2CCCC2)cc1OC 32804289 APVFAFLMTRIUIB-UHFFFAOYSA-N 317.382 2.406 0 40 DEAB CCN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C1CC1 29912419 MRZAHVFIKJIOHP-UHFFFAOYSA-N 321.402 2.064 0 40 DEAB Cc1cccc(C)c1OCC(=O)Oc1cccc(-n2cnnn2)c1 21798392 CITCTASEMPEHIZ-UHFFFAOYSA-N 324.340 2.264 0 40 DEAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(C=O)CC2)cc1 10282694 WMNHHWVCBZMOQE-RMKNXTFCSA-N 300.402 2.298 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101986834 LLUWSSBRQOQBJF-BDNJKQAHSA-N 322.474 2.381 0 40 DEAB CC(C)c1noc(CCCC(=O)NC[C@@H](C)N2CCCC2)n1 46781239 BAYWNXXSGHAJHZ-CYBMUJFWSA-N 308.426 2.116 0 40 DEAB O=C(/C=C/c1cccnc1)N[C@H](Cn1cncn1)c1ccccc1 69807679 ZBTKRYYQKBIDRY-KBOKABMXSA-N 319.368 2.244 0 40 DEAB C[C@H]1CN(C)c2ccccc2N(CC(=O)NCc2cccnc2)C1 76040619 PWCLYUAXBXWHMU-HNNXBMFYSA-N 324.428 2.290 0 40 DEAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ncccc1O 22262147 MBRLKYQZJYUHHT-UHFFFAOYSA-N 318.354 2.289 0 40 DEAB CCN1CCC(CCNC(=O)[C@H]2C[C@@H]2c2cccnc2)CC1 76041655 ABNXGBJVRDUKIX-SJORKVTESA-N 301.434 2.423 0 40 DEAB COC(=O)[C@@H](C)n1nnc2sc(-c3ccccc3)cc2c1=O 1321144 KPVSTLSJDCJCAM-SECBINFHSA-N 315.354 2.254 0 40 DEAB CC(=O)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 22989465 JYZBETOYORKXPD-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB COc1ccc(C(=O)OCC(=O)NC2CCCCC2)c(OC)c1 3253849 OQVVEHBLWCIJTH-UHFFFAOYSA-N 321.373 2.310 0 40 DEAB CCOc1cc2c(cc1CNC(=O)[C@H]1CCCO1)O[C@@H](C)C2 25395268 LKWGOMWLRIWXAE-SMDDNHRTSA-N 305.374 2.204 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCN(Cc2ccco2)CC1 56281714 SEJDBMWKADXWMX-UHFFFAOYSA-N 315.373 2.104 0 40 DEAB O=C(CNC(=O)c1cccc(O)c1)NCC[C@@H]1C[C@H]2CC[C@H]1C2 108398289 ZXWHQGBTCRIMKZ-MELADBBJSA-N 316.401 2.065 0 40 DEAB CCn1cc(NC(=O)N2CCN(C(=O)CCC(C)C)CC2)cn1 58016682 COPXMRWXMOMRJK-UHFFFAOYSA-N 321.425 2.015 0 40 DEAB CC1CCC(NC(=O)NCc2nnc3n2CCCCC3)CC1 45570190 JXLGXHKMYBCHIF-UHFFFAOYSA-N 305.426 2.382 0 40 DEAB COc1ccccc1OCCC(=O)Nc1ccc(C(N)=O)cc1 12800447 PUOQLOAKNJEFTE-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB CN(C)C(=S)SCC(=O)NCCc1ccc(F)cc1 3413227 JCWKUDGAGVUILC-UHFFFAOYSA-N 300.424 2.064 0 40 DEAB Cc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)C2 69484821 ZFWFUNNIGVNDIS-UHFFFAOYSA-N 302.403 2.183 0 40 DEAB CCN(CC)C(=O)CCCC(=O)NCCc1ccccc1OC 69441997 YPPFANHKUYILIL-UHFFFAOYSA-N 320.433 2.393 0 40 DEAB CN(CC1CC1)C(=O)c1cc(Cl)ccc1NS(C)(=O)=O 64489406 MQSGKMQTYICXGL-UHFFFAOYSA-N 316.810 2.194 0 40 DEAB COC[C@H](C)NC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 64716539 LMQRKTAJOXFFIZ-IHRRRGAJSA-N 321.421 2.457 0 40 DEAB C[C@H](Oc1ccccc1C(N)=O)C(=O)N(C)C1CCCCC1 49875292 XZOBTHAPMKRQAZ-LBPRGKRZSA-N 304.390 2.344 0 40 DEAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1ccco1 69533035 VGAZDHYSWSOKLC-INIZCTEOSA-N 303.314 2.020 0 40 DEAB COc1ccc([C@H]2CCN(c3ncnc4c3CN(C)CC4)C2)cc1 65474777 ZTDSIGWGSUFYBH-HNNXBMFYSA-N 324.428 2.467 0 40 DEAB CCc1noc([C@H](C)N2CCN([C@H](C)c3cccnc3)CC2)n1 69535625 UVAHQTZMRNKWBN-KGLIPLIRSA-N 315.421 2.467 0 40 DEAB CC(C)c1ccc(OCCC(=O)N2CCC[C@H](C(N)=O)C2)cc1 65538454 ZYRGIQZZPFJKTN-HNNXBMFYSA-N 318.417 2.303 0 40 DEAB CCCOc1ccc(C(=O)NCCc2nnc3ccccn23)cc1 14136055 YXAOAYZYDXHHFZ-UHFFFAOYSA-N 324.384 2.491 0 40 DEAB CCOC(=O)c1ccoc1Cn1cnc2cc(F)ccc2c1=O 14185373 ZTZDPFNKSKAERS-UHFFFAOYSA-N 316.288 2.354 0 40 DEAB O=C(c1ncccc1O)N1CCCN(Cc2cccs2)CC1 65609185 AVHXKIIKJKTGBY-UHFFFAOYSA-N 317.414 2.197 0 40 DEAB O=C(Cn1ncc2ccccc2c1=O)N1CCCc2ccccc21 5453123 PECDYQBDIPOQPW-UHFFFAOYSA-N 319.364 2.376 0 40 DEAB CCc1ccc([C@H](C)NC(=O)COn2nnc3ccccc32)cc1 5404444 OBYUURUSKYZNIM-ZDUSSCGKSA-N 324.384 2.300 0 40 DEAB COc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 6608265 NPMKUJFUVBBUOQ-UHFFFAOYSA-N 309.325 2.044 0 40 DEAB CCOC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 4813734 BYKRXPPQHHVRRI-UHFFFAOYSA-N 300.380 2.286 0 40 DEAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)c1 4894151 GOXIZXKPMJKIFH-SECBINFHSA-N 303.391 2.069 0 40 DEAB CC1=NN(S(=O)(=O)c2ccc(Cl)cc2)[C@](O)(C(F)F)C1 6849442 IWGZJMSJONPIAO-LLVKDONJSA-N 324.736 2.064 0 40 DEAB O=C(CN1CCOCC1)Nc1ccccc1C(=O)c1ccccc1 19852189 AJUCTLDFNNOHPC-UHFFFAOYSA-N 324.380 2.188 0 40 DEAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)cc1 19897902 HVJMHXXEKCYOPA-INIZCTEOSA-N 314.385 2.391 0 40 DEAB COc1cc(C(=O)N(C)CCCC(=O)O)ccc1OC(F)F 71831260 ODMKQMUBDPHRRL-UHFFFAOYSA-N 317.288 2.233 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)n1 71817149 OCZLSBRHFWZABI-HIFRSBDPSA-N 313.357 2.088 0 40 DEAB CCCN1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1 71850309 NBSNVUZAVYATPS-UHFFFAOYSA-N 320.433 2.191 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(-c2ccco2)n1 71829646 XRYDBTPIHNFJFQ-UWVGGRQHSA-N 319.386 2.129 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c1C 19902497 CATNEWIGGQHJFE-GHMZBOCLSA-N 322.405 2.100 0 40 DEAB CCn1c([C@H]2CCCN2CCn2cncn2)nc2ccccc21 83840191 VGUNZZZYWHXFMD-MRXNPFEDSA-N 310.405 2.485 0 40 DEAB COc1cc(NCc2occc2C)ccc1S(=O)(=O)N(C)C 97057758 XTXBNGMOHNQQLY-UHFFFAOYSA-N 324.402 2.459 0 40 DEAB CC(=O)N1CCC(C(=O)NCCSc2ccc(C)cc2)CC1 9723326 BLEGFKTYKRZGAQ-UHFFFAOYSA-N 320.458 2.462 0 40 DEAB C[C@@H](C(=O)O)n1cc(I)c(C(F)F)n1 408716386 MLBKSGAJAKRIRT-VKHMYHEASA-N 316.045 2.071 0 40 DEAB CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1O)C1CCCCC1 72324759 HMRYFEKMILSXHP-CYBMUJFWSA-N 324.373 2.455 0 40 DEAB biogenic C[C@H](CNC(=O)c1cc(C(N)=O)cs1)Oc1ccc(F)cc1 72302961 VYLNGLCRCGWXHG-SECBINFHSA-N 322.361 2.183 0 40 DEAB Cn1c(Cl)cnc1CN1CC[C@H](CNc2ccccn2)C1 97200583 GSJUJQDOKLAXGP-GFCCVEGCSA-N 305.813 2.403 0 40 DEAB Cn1cc(C2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cn1 97202992 FHLBOPMJYDZSLE-UHFFFAOYSA-N 322.416 2.380 0 40 DEAB Cc1nccn1C[C@H](C)CNC(=O)NC[C@@]1(C)CCCS1 95412451 VHGFWFVFUXRVBV-IUODEOHRSA-N 310.467 2.413 0 40 DEAB Cn1cccc1CNCc1nnc2n1CCC[C@@H]2C(F)(F)F 95402039 MOKGGUQFYZJGJH-NSHDSACASA-N 313.327 2.346 0 40 DEAB Cc1cc(N(C)C2CCS(=O)CC2)nc(-c2ccccn2)n1 95406496 AHXVZKBJVZJMLE-UHFFFAOYSA-N 316.430 2.194 0 40 DEAB CCn1c(NC(=O)[C@H]2CC(=O)N(C3CC3)C2)nc2ccccc21 29604990 ODNSPXOTCCENTO-NSHDSACASA-N 312.373 2.006 0 40 DEAB Cc1cc(C)c(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)o1 95983559 AOSJQIRZRADOER-AWEZNQCLSA-N 317.389 2.460 0 40 DEAB CCNC(=O)[C@H]1CCCN(CCC(=O)c2ccc(F)cc2)C1 95992473 XKNWOVVPPLBXLC-AWEZNQCLSA-N 306.381 2.247 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1F 74886332 UZCSOVUCHYPEMP-RYUDHWBXSA-N 312.360 2.482 0 40 DEAB O=C(NCC[C@H](O)c1ccccc1)c1ccc(-n2ccnn2)cc1 89843725 OISZEAUPZSWDBM-KRWDZBQOSA-N 322.368 2.121 0 40 DEAB COc1c(Br)cc(C(N)=O)cc1Br 26508544 IHWCXAIMCFXLFQ-UHFFFAOYSA-N 308.957 2.319 0 40 DEAB CC(C)[C@@H](O)C(C)(C)CNC(=O)NCc1ccn2ccnc2c1 179295172 MKOGCBOHWDZWPP-OAHLLOKOSA-N 318.421 2.177 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1C 32639810 JEWLCYSSWVYCCY-JSGCOSHPSA-N 324.471 2.398 0 40 DEAB Fc1ccccc1CN1CCN(c2nccn3ccnc23)CC1 306124134 BHAASULJZCHDNL-UHFFFAOYSA-N 311.364 2.191 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1NCCO 79410997 SPNCDUKKHPBKJA-JKSUJKDBSA-N 306.406 2.148 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccn2)on1 71195659 TZFACRJLTYWJMT-CYBMUJFWSA-N 323.356 2.371 0 40 DEAB CC1=C(C(=O)NC(C)(C)C)C[C@H](C(=O)NC(C)(C)C)[C@H](C)N1 31852467 FJYFISLNIKEFCS-JQWIXIFHSA-N 309.454 2.088 0 40 DEAB Cc1c[nH]cc1C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1 566094016 RRIQAPSTYYZACD-NSHDSACASA-N 303.328 2.327 0 40 DEAB CC(C)=CCN1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 79035328 IKSYDDPRQGXLMR-SFHVURJKSA-N 313.445 2.376 0 40 DEAB Cc1cc(Nc2cccc([C@@H]3CCC(=O)N3)c2)n2ncnc2n1 563341639 FKZFAQZFUGNUPY-ZDUSSCGKSA-N 308.345 2.127 0 40 DEAB CC(=O)Nc1cnn(CC(=O)N[C@H](c2ccccc2)C2CC2)c1 573459054 PQBREZHWGXXNRI-QGZVFWFLSA-N 312.373 2.109 0 40 DEAB CCS[C@@H]1CCCC[C@H]1NCC(=O)Nc1cc(C)nn1C 195571224 XVKSNAOYBLIJQB-CHWSQXEVSA-N 310.467 2.321 0 40 DEAB O=C(Cc1ccccc1)NCc1nccc(N2CCCCC2)n1 224160217 VAWSXALJKBJXAK-UHFFFAOYSA-N 310.401 2.326 0 40 DEAB COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)c(OC)c1 225915305 CHLCUOQRFVIDCK-UHFFFAOYSA-N 309.362 2.432 0 40 DEAB O=C(c1cscn1)N1CCC2(CCN(CC3CC3)CC2)C1 96046553 AXPVSJYHSCWVIA-UHFFFAOYSA-N 305.447 2.481 0 40 DEAB O=C(NCC1CC1)[C@@H]1CN(Cc2ccco2)CC12CCOCC2 96052122 PDHQGBBTCBOBJU-INIZCTEOSA-N 318.417 2.034 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csnn1 96419360 VJBWTBOSORLION-CYBMUJFWSA-N 316.430 2.275 0 40 DEAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2C(=O)c1ccco1 96252250 VQPMHJNRQRTTNK-KGLIPLIRSA-N 315.373 2.231 0 40 DEAB C[C@H]1CN(Cc2nnn(CC(F)(F)F)n2)c2ccccc2O1 579311263 RRKHSBYGAJIOGW-VIFPVBQESA-N 313.283 2.023 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(CCC(=O)c2ccccc2)C1 96495488 VQBLRVCVDZUVHA-INIZCTEOSA-N 302.418 2.496 0 40 DEAB c1csc(N[C@H]2CO[C@@]3(CCCN(C4CCOCC4)C3)C2)n1 96223367 AIZWZCWIFNPLHE-CJNGLKHVSA-N 323.462 2.358 0 40 DEAB CSC[C@@H](NS(=O)(=O)c1cccnc1)c1ccccc1 96413037 DBZLTAMIMUSUNJ-CQSZACIVSA-N 308.428 2.464 0 40 DEAB Cc1cc(C)cc(C(=O)N2Cc3c(CN(C)C)nn(C)c3C2)c1 96259074 XDDNFYWSQIDNOP-UHFFFAOYSA-N 312.417 2.255 0 40 DEAB CN(C)CCN(Cc1ccccn1)C(=O)c1ccc(F)cc1O 94124727 UPLMTIVURMRUAW-UHFFFAOYSA-N 317.364 2.130 0 40 DEAB O=C1CCc2cc(S(=O)(=O)N[C@@H]3[C@H]4CCCC[C@H]43)ccc2N1 248074756 ZJBXPZXNHGLWFY-VIKVFOODSA-N 320.414 2.038 0 40 DEAB Cc1nc([C@@H]2CCCN2Cc2cc(C)on2)cc(N(C)C)n1 257342985 ZQWMIZRFTSQLDG-HNNXBMFYSA-N 301.394 2.485 0 40 DEAB Cc1nc[nH]c1CN1CCC[C@@H](c2ccc3cnn(C)c3n2)C1 257208259 BLJFNYKLKUHVLD-CQSZACIVSA-N 310.405 2.379 0 40 DEAB Cn1nc(CNS(=O)(=O)/C=C/c2ccccc2)cc1C1CC1 96099355 REGZZMPDIWRPOB-MDZDMXLPSA-N 317.414 2.388 0 40 DEAB COCC[C@H]1CN(C(=O)c2ocnc2C)Cc2cccn2C1 585095267 LRRYQRZZDIPPMK-CYBMUJFWSA-N 303.362 2.093 0 40 DEAB Cc1nc(C)c([C@H](C)NC(=O)CN2CCCCCC2=O)s1 56023281 BPSJWPORKGCQMO-NSHDSACASA-N 309.435 2.340 0 40 DEAB CCOc1cc2c(cc1CN1CCN(C(C)=O)CC1)O[C@@H](C)C2 69978024 POPRBXZDALORDL-ZDUSSCGKSA-N 318.417 2.073 0 40 DEAB O=C1NCCN(Cc2ccc(Cl)nc2)[C@H]1c1cccs1 72799708 PEYRXFYHLKXKKT-ZDUSSCGKSA-N 307.806 2.470 0 40 DEAB O=C(Nc1cccc(Cl)c1)NC1CN(c2cnccn2)C1 1202249878 FICXTVJBFRBUMQ-UHFFFAOYSA-N 303.753 2.140 0 40 DEAB CC(=O)N1CC[C@H](C(=O)NCC(C)(C)c2ccccc2F)C1 19748030 QGVZTHOQAZWFRM-ZDUSSCGKSA-N 306.381 2.088 0 40 DEAB COc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c(N)c1 226347770 NCNAJTILZPILNO-UHFFFAOYSA-N 300.314 2.301 0 40 DEAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(CCO)C2)n1 2037835836 BFOSDZQBPAPPQV-GFCCVEGCSA-N 319.434 2.075 0 40 DEAB O=C(CCF)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 1614937401 JIPOTQMWMHYLPT-MRXNPFEDSA-N 308.328 2.141 0 40 DEAB COc1ccccc1CNc1ncnc2c1nc(O)n2C1CC1 2087044676 IHQBLODHDCTHQM-UHFFFAOYSA-N 311.345 2.488 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)c1C 2710774 SJLJXSDFUAFCEY-VXGBXAGGSA-N 320.414 2.121 0 40 DEAB Cc1cccc(F)c1C(=O)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1 2055772816 IORJRTHWMKKYTN-KGLIPLIRSA-N 316.376 2.075 0 40 DEAB Cc1nc2ncnn2c(N2CC(n3cnc4ccccc43)C2)c1C 1775974574 KDOFGGVTTOGHFP-UHFFFAOYSA-N 319.372 2.152 0 40 DEAB Cc1cc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)no1 31651654 YILRRBVQMQXRKG-GQCTYLIASA-N 300.314 2.384 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)c1cc(C2CC2)[nH]n1 40541047 BDVWGRCPSGMMAN-UHFFFAOYSA-N 300.362 2.399 0 40 DEAB C[C@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)sc1Cl 36967166 YZUHIFJJLBROGB-SCSAIBSYSA-N 318.203 2.196 0 40 DEAB O=C(O)c1cccc(C(=O)O)c1[S@](=O)Cc1ccccc1 1572808 CKAKBIDWQALZDX-NRFANRHFSA-N 304.323 2.391 0 40 DEAB in-vitro Cn1c(=O)cc2c3c(ccc(C(=O)O)c31)C(=O)c1ccccc1-2 1671631 GSLMLNVXPCIZMM-UHFFFAOYSA-N 305.289 2.448 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)Cn1cnc2sccc2c1=O 7495034 ZDJYEFKGYOHPHH-QWRGUYRKSA-N 305.403 2.248 0 40 DEAB Cc1cc(NC(=O)COCc2cc(-c3ccco3)on2)no1 6876622 PHELCIHDIRQEHD-UHFFFAOYSA-N 303.274 2.386 0 40 DEAB CCC[C@H](C)NC(=O)CN(c1cccc(C)c1)S(C)(=O)=O 6946531 SEJNLNZZMNZNSB-ZDUSSCGKSA-N 312.435 2.066 0 40 DEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1C2 10363177 LPSKIECRISIDMN-YWPYICTPSA-N 322.430 2.285 0 40 DEAB O=c1/c(=C/c2ccc(F)cc2)sc2nc(-c3ccco3)nn12 2703577 WKTWWZOVNYEALC-WQLSENKSSA-N 313.313 2.098 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCN(C)C[C@@H]1c1ccccc1 46763145 SHRWNLPIMRKGHI-QGZVFWFLSA-N 313.401 2.349 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)CCCc1nc(C(C)(C)C)no1 41761486 GEOHNJCYRVYJJV-CYBMUJFWSA-N 322.453 2.290 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)NCCSC(F)(F)F 47425349 DOCSUICLAWQCJC-UHFFFAOYSA-N 321.320 2.370 0 40 DEAB Cc1[nH]c2ccc(C(=O)N(C)CC(=O)NC(C)C)cc2c1C 24340991 IKDBEBFDUDEBTB-UHFFFAOYSA-N 301.390 2.381 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@@H]2[C@H](C1=O)c1cc(O)ccc1N2C 21981292 LXUVVXYOZOBVHJ-JCURWCKSSA-N 311.385 2.478 0 40 DEAB C[C@@H](C(=O)NC1CC1)S(=O)(=O)c1ccc2ccccc2c1 47619913 IMIPYYIAQUFIBJ-NSHDSACASA-N 303.383 2.281 0 40 DEAB CCN(CC)C(=O)[C@@H](C)Nc1cc(OC)c(OC)c(OC)c1 55617500 PULUVCUNRBVDEY-LLVKDONJSA-N 310.394 2.381 0 40 DEAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ccoc2)C1 172741733 PDSSXOKQGGSYHS-AWEZNQCLSA-N 321.421 2.364 0 40 DEAB Cc1ccc(S(=O)(=O)N(Cc2nccn2C)C2CC2)s1 58430164 KBNDTZJPUXIWSR-UHFFFAOYSA-N 311.432 2.143 0 40 DEAB O=C1c2ccccc2C(=O)N1CSc1nnc2ccccn12 3358846 NGSHITXMTJEBID-UHFFFAOYSA-N 310.338 2.075 0 40 DEAB Cc1nc2ccccc2nc1SCC(=O)N1CCO[C@@H](C)C1 28191703 RYFOJROVQYHXJN-NSHDSACASA-N 317.414 2.278 0 40 DEAB CCc1noc(CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)n1 58733557 ZOALFPXMRSWKNQ-UHFFFAOYSA-N 323.418 2.378 0 40 DEAB Cc1nc(-c2ccc(N[C@H](C)C(=O)NC(N)=O)cc2)cs1 28912563 ANAOSTACUZJBCP-MRVPVSSYSA-N 304.375 2.114 0 40 DEAB NC(=O)[C@@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 8063870 IZQBFHBAYMJJEU-SNVBAGLBSA-N 316.430 2.272 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)/C=C/c1ccccc1 5618186 LXGJFCWGIFSJLY-CSKARUKUSA-N 316.382 2.294 0 40 DEAB CC(C)[C@@H](C(=O)N[C@@H]1CCc2ccccc21)N1CCCC1=O 69349334 SRRGRIONEHIFCN-WBVHZDCISA-N 300.402 2.437 0 40 DEAB C[C@@H](CSC(C)(C)C)N[C@H]1CCCN(c2ccn(C)n2)C1=O 90116004 CYYVANVBRAVMKN-STQMWFEESA-N 324.494 2.425 0 40 DEAB O=C(CCc1ccsc1)N1CCCN(c2cccnn2)CC1 69948803 BUAOXTZETGEFPI-UHFFFAOYSA-N 316.430 2.210 0 40 DEAB CNC(=O)Cc1nc(CNc2cc(F)c(F)cc2F)cs1 97080265 OBWDYLLRONPNKN-UHFFFAOYSA-N 315.320 2.461 0 40 DEAB Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)Cn2cncn2)cc1 72270912 LLHYCMJRFSWIDD-AWEZNQCLSA-N 315.421 2.252 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1 72297138 FMOUUTMUKIAGPY-JTQLQIEISA-N 305.769 2.181 0 40 DEAB NC(=O)COc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 9253348 FCHATYMTPNCDBP-HIFRSBDPSA-N 316.401 2.203 0 40 DEAB O=C(Cc1ccccc1F)NC[C@H](O)Cc1ccc(F)cc1F 97136691 YKIFNSYFOUWIHB-CQSZACIVSA-N 323.314 2.366 0 40 DEAB CO[C@H]1CCCC[C@@H]1NC(=O)NCCCc1c(C)noc1C 96461020 IIGDWLZIIVKZJN-GJZGRUSLSA-N 309.410 2.481 0 40 DEAB O=C(CC1CCCC1)NCC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 96402761 OHIJNNJCNHVVNK-JKSUJKDBSA-N 318.392 2.494 0 40 DEAB Cc1noc(C)c1C(=O)N1CCN(c2ccc(Cl)cn2)CC1 71833007 RXAGKAKJZJPSFN-UHFFFAOYSA-N 320.780 2.302 0 40 DEAB Cc1nc(C)c([C@H](C)N(C)C(=O)N[C@H]2CCCCNC2=O)s1 71882526 ZMEVTJVNXRLLIH-JQWIXIFHSA-N 324.450 2.131 0 40 DEAB Cc1ccc(CNC(=O)COc2cc(C)c(C)nn2)cc1F 71883964 VOERMFUVZWBPJQ-UHFFFAOYSA-N 303.337 2.236 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOCC(F)(F)F 71880524 PYONVGDAGYNYTG-QWHCGFSZSA-N 308.344 2.041 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CC[C@@H]2CCCO2)n1 71870168 GJKODDKRUHWOGA-CVEARBPZSA-N 305.422 2.450 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)n[nH]1 78902566 AFSANXJDXAYMTP-KGLIPLIRSA-N 314.389 2.287 0 40 DEAB Cc1cccc(NC[C@H]2CCN(Cc3ccc(C(N)=O)cc3)C2)n1 97200902 FPVRWMMHIOBYFU-MRXNPFEDSA-N 324.428 2.423 0 40 DEAB CC(C)CN1CC[C@H](CNc2ccccc2S(C)(=O)=O)C1 84544253 XMBQJGJVCLCQBF-CQSZACIVSA-N 310.463 2.480 0 40 DEAB O=S(=O)([C@@H]1CCCOC1)N1CCC(Cc2ccccc2)CC1 95468733 RDINRPLUHMWZJU-QGZVFWFLSA-N 323.458 2.450 0 40 DEAB C[C@@H](Nc1ccn(Cc2ccccn2)n1)C(=O)NC(C)(C)C 95409835 NIUFHNHDJPMQOM-GFCCVEGCSA-N 301.394 2.042 0 40 DEAB CC[S@@](=O)c1ccccc1C(=O)OCc1nnc(C2CC2)o1 84811745 DZEOFHOEFWYMLQ-QFIPXVFZSA-N 320.370 2.432 0 40 DEAB Cc1nc(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)no1 95994071 ZWTROOBVSKHAOM-UHFFFAOYSA-N 321.280 2.339 0 40 DEAB O=C(CC[C@@H]1CCCOC1)Nc1nncn1-c1ccccc1 95988457 XGSSIFPZDWMPMV-ZDUSSCGKSA-N 300.362 2.413 0 40 DEAB CCOC[C@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75123639 PAADRQIDTNFEIB-LBPRGKRZSA-N 300.358 2.197 0 40 DEAB O=C(OCc1ccccc1)c1cccc(N2C(=O)C=CC2=O)c1 409222648 CWVGXYVWLKUYLY-UHFFFAOYSA-N 307.305 2.473 0 40 DEAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2nc(C)no2)cc1 60241679 BVMOYPYYLQWNCX-SNVBAGLBSA-N 317.345 2.227 0 40 DEAB CN1C(=O)C[C@H](C(=O)NC2CCCC2)[C@@H]1c1ccc(F)cc1 72242197 JCHKASTZUZRYNL-HOCLYGCPSA-N 304.365 2.404 0 40 DEAB CCN(CC(=O)N1CCCCCC1)S(=O)(=O)c1ccccc1 39985311 VKVSCIHKGZHKPN-UHFFFAOYSA-N 324.446 2.100 0 40 DEAB O=C(O)c1ccccc1CC(=O)N1CCN(c2ccccc2)CC1 71279994 QFLATPFLEMBXSE-UHFFFAOYSA-N 324.380 2.276 0 40 DEAB Oc1ccc2c(c1)OC[C@@H]1c3cc4c(c(O)c3O[C@H]21)OCO4 35465623 UCNVIHSLCUJYAL-QMTHXVAHSA-N 300.266 2.436 0 40 DEAB biogenic,in-vitro O=C(O)c1conc1[C@@H](O[C@@H]1CCCCO1)c1cccnc1 504386213 KTJDIAGFQMFWLI-OCCSQVGLSA-N 304.302 2.400 0 40 DEAB CCn1nc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1C 72239114 CADOPQGOPPOTBK-UHFFFAOYSA-N 319.430 2.267 0 40 DEAB O=C(CCCNC(=O)c1cnccn1)Nc1ccc2cc[nH]c2c1 72403533 IRLQNEUMTOSNNE-UHFFFAOYSA-N 323.356 2.107 0 40 DEAB C[C@H](CSc1ccccc1)C(=O)N1CC(=O)N(CC2CC2)C1 562612208 FXUNZLGCHAMKNS-CYBMUJFWSA-N 318.442 2.453 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C)C(C)C)ccc21 225233735 VQSSOQUCAPFRAI-GFCCVEGCSA-N 324.446 2.309 0 40 DEAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1cccnc1 44891027 KLOMIRWRAGBJSS-UHFFFAOYSA-N 300.366 2.047 0 40 DEAB COCCN(Cc1cccs1)C(=O)CN1CCCCCC1=O 42002914 JWBDTZDDHZZERK-UHFFFAOYSA-N 324.446 2.126 0 40 DEAB COCc1nc(C(=O)N[C@H](c2nccs2)C(F)(F)F)co1 573035945 KFQKXVMBEOOCQG-MRVPVSSYSA-N 321.280 2.311 0 40 DEAB Cc1ccc(F)cc1C(=O)N[C@@H]1CC(=O)N(CC(F)(F)F)C1 96414057 VPABOZDMJCFLEZ-SNVBAGLBSA-N 318.270 2.027 0 40 DEAB Cn1cnc2c1[C@H](COCC1CC1)CN(CC1CCOCC1)C2 96044940 HOLSWJJFYVFYJK-INIZCTEOSA-N 319.449 2.173 0 40 DEAB Cn1c(C(=O)OC[C@H]2CCCN2C(N)=O)cc(Cl)c1Cl 96442170 GLPYDGWXAARECX-SSDOTTSWSA-N 320.176 2.032 0 40 DEAB O=C1c2ccccc2C(=O)N1[C@H](c1ccccc1)c1nc[nH]n1 95532252 CGFUWLOQBDUXTO-CQSZACIVSA-N 304.309 2.190 0 40 DEAB CCOc1c(F)cccc1C(=O)NCCc1nncn1C1CC1 96430973 SUMJUWARHZDEJA-UHFFFAOYSA-N 318.352 2.123 0 40 DEAB COC(=O)c1cccc(Cn2ccc(=O)c3sccc32)n1 578312889 KACJNIIYJYQLRD-UHFFFAOYSA-N 300.339 2.293 0 40 DEAB Cc1nnc(N2Cc3cncn3C[C@@H](COCC3CC3)C2)s1 96216708 RBNOUMBKPLTRIO-ZDUSSCGKSA-N 319.434 2.106 0 40 DEAB O=C(NC[C@H]1OCCc2sccc21)N1CCOC[C@H]1C1CC1 96485522 XCGJNMAERAGBDA-UONOGXRCSA-N 322.430 2.182 0 40 DEAB COc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1 96183498 ANBQJDYUQCVHSQ-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB c1cncc(OC[C@]23COC[C@H]2CN(Cc2ccco2)C3)c1 96108816 HZGHQSGKKHPXND-PBHICJAKSA-N 300.358 2.202 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1cccc(C(=O)O)c1 344433991 ABFAOAULPBLRDQ-JTQLQIEISA-N 315.373 2.155 0 40 DEAB CO[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[C@@]12CCCO2 257235944 HAEJDOKTQDWFNL-ROUUACIJSA-N 319.401 2.228 0 40 DEAB Cc1ccnc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257204847 AWNOBSCJSTYNAW-MRXNPFEDSA-N 323.400 2.245 0 40 DEAB CCn1nccc1-c1nccnc1CC1CCN(C(C)=O)CC1 257256632 KMGZJZMUNNWLMY-UHFFFAOYSA-N 313.405 2.161 0 40 DEAB C[C@@H](CN(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)O 42702393 XNBISLFYARGWKU-NSHDSACASA-N 307.371 2.181 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cc(C)on3)C2)n1 257268946 MNXAAQANZJTDJX-ZDUSSCGKSA-N 314.389 2.382 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(S(=O)(=O)c3ccccc3C)C2)n1 257225108 FEVLAGZOQYXXSY-CQSZACIVSA-N 319.430 2.215 0 40 DEAB Cc1ncc(CN2CCN([C@@H](CC(C)C)C(=O)O)CC2)s1 629487375 DKZWPTAHGYAFKL-AWEZNQCLSA-N 311.451 2.068 0 40 DEAB Cn1nccc1-c1cncc(CNC(=O)Cc2cccs2)c1 575605823 AHUBUMOHRQZMKU-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB CC(C)(CCCO)CNS(=O)(=O)c1cccc(Cl)c1O 585141937 JCGOVVBWIRHXAM-UHFFFAOYSA-N 321.826 2.123 0 40 DEAB C[C@H]1c2nnc(COc3ccccn3)n2CCN1CC1CCC1 585097591 NCODKZYYTYEOGF-ZDUSSCGKSA-N 313.405 2.429 0 40 DEAB CNC(=O)c1ccc(CN(C(=O)c2cc(C)on2)C2CC2)cc1 44545917 HPBLJOVRUFPYOJ-UHFFFAOYSA-N 313.357 2.147 0 40 DEAB FC(F)(F)Cn1nnnc1-c1cc(Br)ccn1 685938574 WJYUDBLDNFGQOL-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB C[C@@](NC(=O)[C@@H]1CC1(Cl)Cl)(C(=O)O)c1ccccc1 766963485 UOEXUTLHTHRHDN-CABZTGNLSA-N 302.157 2.296 0 40 DEAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)[C@H]1CC=CCC1 85560962 RFOKUEAAJFTKFP-GXTWGEPZSA-N 303.358 2.311 0 40 DEAB O=C(O)c1ccc(CNC(=O)[C@H]2CSc3ccccc32)o1 94554401 ZHDJRZBQJHOEHX-NSHDSACASA-N 303.339 2.484 0 40 DEAB CCc1nc2ccc(C(=O)N3CC(n4nccn4)C3)cc2s1 888107162 UDMQAGOYDVBXBQ-UHFFFAOYSA-N 313.386 2.147 0 40 DEAB O=C(O)c1ccc(N(C[C@@H](O)c2ccc(F)cc2)C2CC2)nn1 1548451882 WXTUXKYVOMNFEX-CQSZACIVSA-N 317.320 2.016 0 40 DEAB COc1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 5183935 ZSUNFLLSJJEJNY-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB COc1ccc(C2(CN3CCC(NC(C)=O)CC3)CC2)cc1 12219489 QDYFVWWOAPDHOH-UHFFFAOYSA-N 302.418 2.327 0 40 DEAB COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1OC 14121073 JLDPFWXGGBRSDY-AVGNSLFASA-N 322.405 2.140 0 40 DEAB C[C@@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 157956433 RIQLGPCLPHFBME-SSDOTTSWSA-N 303.225 2.349 0 40 DEAB O=C(NCC1CCN([C@H]2CCOC2)CC1)Nc1ccccc1 575608746 VCAOAGJPJNRXSE-INIZCTEOSA-N 303.406 2.309 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888869909 AUVXOWFAWSINKG-OKILXGFUSA-N 320.383 2.450 0 40 DEAB COc1cccc(C(=O)NCCn2cc(Br)cn2)c1 28246561 LRXPUKVCIWRJIA-UHFFFAOYSA-N 324.178 2.084 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cn1 29077467 WHOGJSFTPUBNPA-ZDUSSCGKSA-N 323.356 2.110 0 40 DEAB Fc1cnc(OC2CCN(c3nnc(C4CC4)s3)CC2)nc1 1776008545 KUJDQBVQJSZJMH-UHFFFAOYSA-N 321.381 2.392 0 40 DEAB COc1cc(CSc2ncnc3c2nnn3C)cc(OC)c1 13532001 UYRIVGAXRBOYNR-UHFFFAOYSA-N 317.374 2.068 0 40 DEAB O=C(O)COc1ccc2c(=O)c(-c3cscn3)coc2c1 407276 HCNURRPJBLZGQQ-UHFFFAOYSA-N 303.295 2.380 0 40 DEAB biogenic COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 100185381 GKDUQVYCDVXQRK-GVARAGBVSA-N 311.337 2.175 0 40 DEAB Cc1csc(=O)n1CCN(C)Cc1ccc2c(c1)OCCO2 40466193 IWSGUUXODQNZNU-UHFFFAOYSA-N 320.414 2.121 0 40 DEAB COc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1OC 20724832 ZZEVRZBQCKWWIC-UHFFFAOYSA-N 317.345 2.380 0 40 DEAB CCCN1[C@H]2CC[C@H]1CC(C(=O)N[C@H](C(=O)OC)C(C)(C)C)C2 101436181 XUYXQPIUFXIFBM-SOUVJXGZSA-N 324.465 2.343 0 40 DEAB CN1C(=O)c2c(sc3c2CC(C)(C)OC3)N2CCCN=C12 20814330 PHQKJPYAGNXPLK-UHFFFAOYSA-N 305.403 2.251 0 40 DEAB COCc1ccccc1CNCc1nnnn1-c1ccccc1 69161118 BCUCMGICFQMHCZ-UHFFFAOYSA-N 309.373 2.099 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 341342 QVINHXWQYJHHQN-BKUVIOGVSA-N 310.136 2.436 0 40 DEAB Cc1occc(=O)c1OS(=O)(=O)c1ccc(Cl)cc1 2708384 YPVDQJSFCSBESO-UHFFFAOYSA-N 300.719 2.369 0 40 DEAB COc1ccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 3131809 SRTPBRHHEXWHHH-UHFFFAOYSA-N 321.354 2.421 0 40 DEAB O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NC2CC2)o1 32833049 BREFRLMVYXEAAB-UHFFFAOYSA-N 324.333 2.112 0 40 DEAB CC(=O)c1cc2c(cc1NC(=O)CN1CCCC[C@H]1C)OCO2 4355728 LULPXNLMGSBWQQ-LLVKDONJSA-N 318.373 2.431 0 40 DEAB CNC(=S)N(C)Cc1cc(Br)ccc1OC 7677168 QBQILSCAZCMDDM-UHFFFAOYSA-N 303.225 2.394 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCOCC1)C2 104489139 KAZBZPJDMFZKQY-CUSZFKRNSA-N 311.466 2.301 0 40 DEAB COc1ccc(CN(C)c2ncnc3c2cnn3C)cc1F 22011060 SAGKCQMNIIOWSL-UHFFFAOYSA-N 301.325 2.147 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)CSCCc1ccccc1 70039878 OBRYYPDDDIQTMB-AWEZNQCLSA-N 322.430 2.049 0 40 DEAB CN[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2)C1 53202121 BYJJRUZMVGHQGY-CYBMUJFWSA-N 311.223 2.202 0 40 DEAB C[C@@H](CNC(=O)[C@@H](C)OCC(F)(F)F)N1CCC[C@@H](C)C1 46954959 RPTCGQBLBLPHCB-GRYCIOLGSA-N 310.360 2.190 0 40 DEAB COc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC 9142000 UZQYOLFYVONXHB-UHFFFAOYSA-N 313.313 2.126 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)o1 42058134 ARLPAYQYYKAWFK-MFKMUULPSA-N 313.357 2.291 0 40 DEAB COCC(=O)N[C@H]1CC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@H]2[C@@H]1C 20466823 MXAJYBDSRMKKOJ-WUQDBZGBSA-N 323.433 2.142 0 40 DEAB biogenic,in-vitro Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)cc1Cl 76020475 MAUZTNDDYNTKAJ-FZMZJTMJSA-N 324.808 2.254 0 40 DEAB CN1C[C@@H](NC(=O)N[C@H]2CCc3cc(Cl)ccc32)CCC1=O 76018457 CEYHJOMZRQINKU-JSGCOSHPSA-N 321.808 2.247 0 40 DEAB CCN1CCC(CCNC(=O)[C@H]2C[C@H]2c2cccnc2)CC1 76041659 ABNXGBJVRDUKIX-IRXDYDNUSA-N 301.434 2.423 0 40 DEAB C[C@H]1CN(C(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)CCO1 54117777 PQKLMJBYBVXSKK-ISOUWHGUSA-N 320.477 2.382 0 40 DEAB Cc1ccc(-c2nc(CS(=O)(=O)c3nccn3C)co2)cc1 47943158 AOWLJQGTCWWLQE-UHFFFAOYSA-N 317.370 2.357 0 40 DEAB CCN1C[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CC1=O 56996817 ZXAWQMSNWJBJCY-ZWNOBZJWSA-N 322.792 2.148 0 40 DEAB Cn1ncc2c(Nc3cccc(N4CCCC4=O)c3)ncnc21 26710620 PCPRXZXRNNFJTQ-UHFFFAOYSA-N 308.345 2.234 0 40 DEAB C[C@@H](c1ccccc1)N1C(=O)C(=O)N(C[C@@H]2CCCCO2)C1=O 27291140 IDFDALDNHVJCRF-JSGCOSHPSA-N 316.357 2.108 0 40 DEAB CC(C)c1ccc(NC(=O)[C@H](C)N2CCC[C@@H](C(N)=O)C2)cc1 12689990 PDOCOKNUBPUSJQ-DZGCQCFKSA-N 317.433 2.334 0 40 DEAB Cn1c(C(=O)NCCNC(=O)OC(C)(C)C)cc2ccccc21 20716360 XXQPLZLVBIWQNY-UHFFFAOYSA-N 317.389 2.433 0 40 DEAB O=C(CN1CSCC1=O)Nc1ccc(F)c(C(F)(F)F)c1 58263766 SOHWYHWNLGUTSJ-UHFFFAOYSA-N 322.283 2.316 0 40 DEAB Cc1cccc(N2CCN(C(=O)c3cnn4cccnc34)CC2)c1 12610312 BXLJUQGBZUOPJB-UHFFFAOYSA-N 321.384 2.000 0 40 DEAB Cc1csc(N2CCN(C(=O)c3cc(Cl)cn3C)CC2)n1 27777041 DYCIEUKIKJRFPE-UHFFFAOYSA-N 324.837 2.406 0 40 DEAB CCC(=O)NCC(=O)NCc1cc(C)cc2c(C)c(C)[nH]c12 58331242 WROZKDCJNGGOAS-UHFFFAOYSA-N 301.390 2.236 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@H]3CN3CCCC3)cc12 58378480 MWPUNJQCUXURMZ-AWEZNQCLSA-N 314.389 2.232 0 40 DEAB NC(=O)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 58489888 DNXILSQZBVFEBV-UHFFFAOYSA-N 322.718 2.345 0 40 DEAB O=C(COc1ccccc1F)Nc1ccc2c(c1)NC(=O)CO2 12820900 QRGJHOIZYZWXEL-UHFFFAOYSA-N 316.288 2.174 0 40 DEAB CC(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCCC2)c1 3462036 SHWREUYOOSOHPF-UHFFFAOYSA-N 318.373 2.251 0 40 DEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccn(Cc2ccccc2)n1 17031538 YAXNRICJNHVGNE-GASCZTMLSA-N 307.353 2.387 0 40 DEAB CC(C)(C)NC(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 69486483 KRFFNVCRUWDCMZ-UHFFFAOYSA-N 313.283 2.209 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC(Nc2ccc(F)cc2)CC1 63584472 LDNNTPVXJDXWIE-UHFFFAOYSA-N 315.348 2.231 0 40 DEAB NC(=O)C[C@@H]1CCCCN1C(=O)/C=C/c1c(F)cccc1F 69565307 OOHZYDQYOZVWNB-AEZGRPFRSA-N 308.328 2.235 0 40 DEAB Cn1cnnc1SCC(=O)Nc1nc2ccc(F)cc2s1 6063523 YGVAUKKYEOSGCC-UHFFFAOYSA-N 323.378 2.295 0 40 DEAB CC[C@@H](CCNC(=O)c1cc(C)ccc1O)N1CCCC1=O 69559942 DAUGCWDTJNANSN-ZDUSSCGKSA-N 304.390 2.222 0 40 DEAB Cn1c(Oc2c(Cl)cccc2Cl)cc(=O)n(C)c1=O 6219120 NOZDWNKJTCUYEV-UHFFFAOYSA-N 301.129 2.183 0 40 DEAB Fc1cc(CNC[C@H]2CN(C3CC3)CCO2)cc(F)c1F 69847049 XKSGALNXKMORHQ-LBPRGKRZSA-N 300.324 2.057 0 40 DEAB COc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1 4472981 BKRQOPCZPNLNRA-UHFFFAOYSA-N 319.382 2.249 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1ccccc1F)C2 69702781 AQTPMWFKTPVWNB-OLZOCXBDSA-N 314.364 2.126 0 40 DEAB Cc1cc(C(=O)N[C@H](COCC(C)C)c2ccco2)n(C)n1 69737005 XEMRCIRNLOEPJT-CYBMUJFWSA-N 305.378 2.465 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CN(C)Cc1cnn(C)c1 14191732 BRSYIKVMVIGAMF-UHFFFAOYSA-N 306.797 2.452 0 40 DEAB O=S(=O)(NCc1ccccc1F)c1cccc2nsnc12 14224911 BXNHJZVWDFFRSS-UHFFFAOYSA-N 323.374 2.309 0 40 DEAB COc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 6533332 HYEXUOGCRYAKNE-QMMMGPOBSA-N 304.375 2.013 0 40 DEAB CCCCCNC[C@@H](O)COc1ccc(C(C)=O)cc1OC 6587388 ATVGAMZPLMVBAV-OAHLLOKOSA-N 309.406 2.417 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)cc12 69872821 COHZSKFVICWZRX-GJZGRUSLSA-N 314.389 2.230 0 40 DEAB Cc1cc(C)n2nc(C(=O)N3C[C@@H](C)Oc4ccccc43)nc2n1 69979869 FUFIIALXYMLXRK-GFCCVEGCSA-N 323.356 2.169 0 40 DEAB Cc1ccc(CCC(=O)N2CCCC[C@H]2CNC(N)=O)c(C)c1 69918760 IZXYAEFIEXGMQD-INIZCTEOSA-N 317.433 2.285 0 40 DEAB CC(C)c1nccn1[C@H]1CCCN(C(=O)[C@@H](C)n2cncn2)C1 69947725 BHMWNJZBZIAZTG-KGLIPLIRSA-N 316.409 2.023 0 40 DEAB CCCn1nnnc1CN(C)Cc1nc2ccccc2s1 66695710 ROSPRPUFKWLJJY-UHFFFAOYSA-N 302.407 2.325 0 40 DEAB CCOC(=O)CSc1nnc(NC(=O)c2ccccc2)s1 8734611 UKVYLXZBCGQGNQ-UHFFFAOYSA-N 323.399 2.446 0 40 DEAB COc1cccc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 68206313 FSNQDPBJXQAEDA-QGZVFWFLSA-N 324.380 2.159 0 40 DEAB C=CC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 16323442 XHNNTIMGDUZEKJ-UHFFFAOYSA-N 301.390 2.116 0 40 DEAB Cc1ccccc1C[C@@H](CNC(=O)c1cscn1)C(=O)O 97018826 QTFPVAMWXUBDMR-LBPRGKRZSA-N 304.371 2.125 0 40 DEAB COc1ccccc1CN(C)C(=O)c1n[nH]c(=O)c2ccccc12 9314317 WBEMGRCOJQIROE-UHFFFAOYSA-N 323.352 2.204 0 40 DEAB O=c1[nH]c2ccccc2cc1CN1CCC(c2nc[nH]n2)CC1 83445963 XHUBDPKUWZMVHZ-UHFFFAOYSA-N 309.373 2.026 0 40 DEAB Cc1cc(NC(=O)CCN2CCCC[C@@H]2Cn2cccn2)no1 71875213 CXIXAPYGGZIIND-CQSZACIVSA-N 317.393 2.063 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2Cc2nnc(-c3ccco3)o2)c1 71875784 WZKFXUKAMWKDPZ-ZDUSSCGKSA-N 313.361 2.499 0 40 DEAB CCc1ncc(C(=O)N2CCN(Cc3ccccn3)CC2)s1 71830940 UNZIRJHTDJXJNZ-UHFFFAOYSA-N 316.430 2.059 0 40 DEAB CCN(C(=O)NCc1sccc1C)[C@H](C)CS(C)(=O)=O 72281519 NVLANSQAZFJUKX-LLVKDONJSA-N 318.464 2.021 0 40 DEAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(N)=O 83888437 POOKIHDDLXDNGX-FXBDTBDDSA-N 301.264 2.226 0 40 DEAB CCO[C@H]1C[C@H](N(C)Cc2nnnn2C2CC2)C12CCCC2 71920963 FGNMOJOMRMPEFW-KBPBESRZSA-N 305.426 2.178 0 40 DEAB O=C(NCc1nc2ccccc2s1)[C@H]1CCc2cn[nH]c2C1 72302748 SKOGQLTWOXVJML-JTQLQIEISA-N 312.398 2.441 0 40 DEAB Cc1nc(CN2CCO[C@@H](c3nc(C(C)C)n[nH]3)C2)oc1C 78893170 PETPUDIWOUZZFT-GFCCVEGCSA-N 305.382 2.106 0 40 DEAB O=C(/C=C/c1cnccn1)Nc1ccc(CN2CCOC2=O)cc1 84402927 RABQYNCQWAXVPG-AATRIKPKSA-N 324.340 2.081 0 40 DEAB C[C@@H](N[C@H](Cn1cncn1)c1ccccc1)C1CCOCC1 95421769 LLNBRBWJESFYPE-RHSMWYFYSA-N 300.406 2.424 0 40 DEAB O=C1CCCc2cc(NC(=O)C(F)(F)C3(O)CCC3)ccc2N1 95449392 JIJPNIMGKRXUAZ-UHFFFAOYSA-N 324.327 2.450 0 40 DEAB COc1cccc(/C=C/C(=O)NCCn2c(C)n[nH]c2=S)c1 73942395 WEKCKDWJWKQCDT-VOTSOKGWSA-N 318.402 2.087 0 40 DEAB CCOc1ccc(C(=O)N[C@@H](CC(=O)O)C2CC2)cc1OC 95970312 HRGRYPRWGYZALG-LBPRGKRZSA-N 307.346 2.077 0 40 DEAB CC(=O)NCC(=O)OCc1csc(-c2ccc(C)cc2)n1 95946761 ANEUGNBHTOMPJB-UHFFFAOYSA-N 304.371 2.298 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3cncc(O)c3)CCO2)ccc1F 95979837 AUKWYMOJZDRFOB-INIZCTEOSA-N 316.332 2.448 0 40 DEAB CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@H]1Cc2ccccc2O1 95953027 PKBJJGYXUIFTAH-MRXNPFEDSA-N 311.337 2.347 0 40 DEAB O=C(CNC(=O)N1CCC[C@H]1C1CCCC1)N1CCCCC1 79611320 BXNPOXVLWFLFDJ-HNNXBMFYSA-N 307.438 2.363 0 40 DEAB CNC(=O)c1cccc(NCc2ccc(-n3cccn3)cc2)n1 89392044 KPVLAXCPVCCCSH-UHFFFAOYSA-N 307.357 2.239 0 40 DEAB COC(=O)C[C@@H]1CN(c2ccc3ccc(F)cc3n2)CCO1 89400757 JGYMAZZRAFDYLQ-CYBMUJFWSA-N 304.321 2.142 0 40 DEAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCCn1ccnc1 22514432 MCAPKWWFLPPWNB-MRXNPFEDSA-N 317.389 2.256 0 40 DEAB Cn1c(SCc2cn[nH]c2)nc2sc3c(c2c1=O)CCC3 519621115 BGVMUKPZJHQDHQ-UHFFFAOYSA-N 318.427 2.499 0 40 DEAB COc1ccc(COC(=O)[C@H](C(=O)O)c2ccc(O)cc2)cc1 38634503 JHALLYTYXLWETG-HNNXBMFYSA-N 316.309 2.312 0 40 DEAB Cc1ccccc1CNC(=O)C(=O)NCc1ccc(F)cc1 78701432 GRHKJZQYMHOJRI-UHFFFAOYSA-N 300.333 2.067 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 71280070 WDFQLVQMIKUMFE-DTWKUNHWSA-N 302.252 2.396 0 40 DEAB C[C@@H](Oc1ccccc1Br)C(=O)NCc1cc[nH]n1 78998878 WGENUCUAZYQJJE-SECBINFHSA-N 324.178 2.256 0 40 DEAB COc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 78777094 WIDJHYDIMATJQU-STQMWFEESA-N 317.389 2.027 0 40 DEAB CNc1nc2c(s1)[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 61720746 FPMUNUWTWFLDEQ-MRVPVSSYSA-N 303.343 2.388 0 40 DEAB COCCNC(=O)Cc1cc(-c2cc3ccccc3o2)on1 36698036 ISWNAFNLTQZVQZ-UHFFFAOYSA-N 300.314 2.393 0 40 DEAB O=C1N(C2CCCCC2)C[C@H]2CN(Cc3ccncc3)CCN12 77266896 PANAKFLKBDMIDW-QGZVFWFLSA-N 314.433 2.336 0 40 DEAB biogenic,in-vitro COC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 30521903 BZKZMGZMRFVWHP-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@H](N2CCCC2)C1 187668339 XVYYPEIDDFIVQM-ZBFHGGJFSA-N 322.474 2.321 0 40 DEAB CC(=O)N1CC(C(=O)Nc2ccc(Br)c(C)c2)C1 70813105 DQTAWQCWOWTNAL-UHFFFAOYSA-N 311.179 2.174 0 40 DEAB O=C(CNC1CC1)N1CCC[C@H](Oc2ccccc2Cl)C1 195554762 ADEVASUFOJBOFW-ZDUSSCGKSA-N 308.809 2.462 0 40 DEAB COc1ccccc1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 130394974 ZOQILYFXIJOCIL-CQSZACIVSA-N 311.385 2.489 0 40 DEAB CC(C)C[C@@H](CO)NC(=O)Nc1cnn(-c2ccccc2)c1 96422027 AOLLGMQIPXVMGK-ZDUSSCGKSA-N 302.378 2.401 0 40 DEAB O=C(c1ccc[nH]1)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96077355 KSZSBNZABXRQBI-GOSISDBHSA-N 309.369 2.284 0 40 DEAB c1cnc(N2CCOC3(CCN(CC4CCCC4)CC3)C2)nc1 96159045 JCRGLIJDKINFFO-UHFFFAOYSA-N 316.449 2.338 0 40 DEAB CC1(C)[C@@H](OC(=O)c2ccc3nncn3c2)[C@@H]2CCCO[C@H]21 96442514 LBPJURZMMQMHLR-BNOWGMLFSA-N 301.346 2.090 0 40 DEAB CCc1csc(NC(=O)NCc2ccnc(N(C)C)c2)n1 96435581 LJVIFEZCTRABKR-UHFFFAOYSA-N 305.407 2.488 0 40 DEAB COC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 143533658 JPMQGSCCLMPCNS-GFCCVEGCSA-N 303.362 2.129 0 40 DEAB CSC(C)(C)CNC(=O)NCc1cccc(-n2cncn2)c1 96440431 QIOSDGQESLZLNY-UHFFFAOYSA-N 319.434 2.208 0 40 DEAB O=C([C@@H]1CCCCN1C(=O)CC[C@@H]1CCCOC1)N1CCCC1 96450290 IUZJQBREILOBRL-HOTGVXAUSA-N 322.449 2.197 0 40 DEAB O=C1NC2(CCN(Cc3ccncc3)CC2)C[C@@H]1c1cccnc1 96087438 XJBOMYHVCWLFNF-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB CN(C)c1cc(C(=O)N2CCN(C)c3cc(F)ccc32)ccn1 96432430 CSSAVSPMJBGHFW-UHFFFAOYSA-N 314.364 2.383 0 40 DEAB CC1(CCNC(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)OCCO1 97376488 PMWHIWSDOLOLOA-OWCLPIDISA-N 316.401 2.167 0 40 DEAB CC[C@H](C)c1csc(N(C)C(=O)[C@H](C)CS(C)(=O)=O)n1 96446290 NUMUZGVHAKBDRK-VHSXEESVSA-N 318.464 2.300 0 40 DEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)O)NC2=O 247919537 CCWUXQHRZFPQNH-FFKBBGQRSA-N 317.341 2.035 0 40 DEAB Cc1noc(C)c1-c1cccc(C(=O)NCc2cn(C)cn2)n1 257308474 TWVUNXQPGQIHGF-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB Cc1cncc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)c1 257211574 BZKCEDNJVJIRGY-HNNXBMFYSA-N 312.373 2.352 0 40 DEAB CC(C)C(=O)N1CCC[C@H](Cc2cncc(-c3ncc[nH]3)n2)C1 585182393 HHSSBRJWXZFFJW-CYBMUJFWSA-N 313.405 2.304 0 40 DEAB O=C(Cn1ccc(C(F)(F)F)n1)NCCc1cccs1 43945636 LLLYLNRHCULOQN-UHFFFAOYSA-N 303.309 2.322 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@@H]1c1cccs1)N1CCOCC1 46264625 IFCZSZHOQCPNSK-UONOGXRCSA-N 323.462 2.315 0 40 DEAB Cn1cnnc1SC[C@H](O)COCc1ccc(Cl)cc1 58013346 CGGNRGGXBKZWKH-GFCCVEGCSA-N 313.810 2.138 0 40 DEAB CN(C(=O)c1ccc(F)cc1Br)[C@@H]1CCNC1 71310188 ASXMJPQTOIMQNV-SECBINFHSA-N 301.159 2.022 0 40 DEAB Cc1cnn(-c2ccc(C(=O)NC[C@H]3CCN(C4CC4)C3)cc2)c1 72012763 ABSSHLPFZYOFPU-OAHLLOKOSA-N 324.428 2.395 0 40 DEAB C[C@@H](NC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1)c1ccccn1 78973479 NENQLGNBPLFLDI-KGLIPLIRSA-N 313.405 2.150 0 40 DEAB C[C@H]1CN(C(=O)CCNC(=O)c2ccccc2Cl)C[C@H](C)O1 12976830 JITHTDQUCXUBTP-RYUDHWBXSA-N 324.808 2.096 0 40 DEAB C[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@@H](C)O1 15375770 HRNJXRHLFQNOFD-AOOOYVTPSA-N 307.781 2.186 0 40 DEAB COc1ncccc1-c1cc(=O)[nH]c(N2CCC(C)CC2)n1 19497065 GYVPDVATXWMUEK-UHFFFAOYSA-N 300.362 2.077 0 40 DEAB CCCC(=O)N1C[C@H]2CCc3nnc(-c4ccncc4)n3[C@H]2C1 19501691 XGZHYBQFFLCRNG-KGLIPLIRSA-N 311.389 2.086 0 40 DEAB COc1cc(F)ccc1NC(=O)CN(C)C(=O)c1ccco1 25312488 JSYHCNPBYLXOQL-UHFFFAOYSA-N 306.293 2.138 0 40 DEAB CCCNC(=O)N[C@@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2 4141442 ZHQKDLXONCHRLN-ZZTKBFGJSA-N 308.422 2.454 0 40 DEAB biogenic O=C(/C=C/c1cccs1)NCc1nc(C2CCOCC2)no1 575617406 PEOPPWIBHGGTEC-ONEGZZNKSA-N 319.386 2.355 0 40 DEAB CS(=O)(=O)c1ccc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)cc1 2298045831 VPJKVSFNNSQUSZ-ZIAGYGMSSA-N 320.458 2.011 0 40 DEAB C[C@H](Nc1ccc2nnnn2n1)c1cccc(OC(F)F)c1 52218156 SXMYVYCJZTVOSO-QMMMGPOBSA-N 306.276 2.294 0 40 DEAB Cc1ccc(C)c(Cn2c(=O)n(C)c(=O)c3sccc32)c1 6679740 QNCZUVPQVYDJHW-UHFFFAOYSA-N 300.383 2.427 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(F)c1 32815897 KYMROCVEHZDCHX-VIFPVBQESA-N 318.270 2.483 0 40 DEAB Cc1cccnc1CNC(=O)Nc1ccc(-n2nccn2)cc1 75583969 DISSDHOQBFBGKO-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB CCOc1ccccc1CN(C)[C@@H](C)C(=O)Nc1ncccn1 75612707 XYXWNBTWEVPWHJ-ZDUSSCGKSA-N 314.389 2.334 0 40 DEAB O=C(CCCc1cccs1)N1CCC[C@@H]1CN1CCOCC1 76066817 JYTCWNPJMNNMBF-OAHLLOKOSA-N 322.474 2.394 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)o1)NC[C@H]1CCOC1 41489779 YRCDLAYHROZNQZ-GFCCVEGCSA-N 301.346 2.177 0 40 DEAB CC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O 522429 KEGYIXUDDPYGJJ-UHFFFAOYSA-N 309.325 2.066 0 40 DEAB COc1cccc(CSc2nnc(-c3cccnc3)n2N)c1 526556 YBYRMLSWDMEJBI-UHFFFAOYSA-N 313.386 2.355 0 40 DEAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(F)ccc1F 53234600 NUFCTMUXRIWGSO-UHFFFAOYSA-N 308.284 2.198 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 37435192 ZHZIJJRABIWYOR-LLVKDONJSA-N 301.264 2.324 0 40 DEAB CCOc1ccccc1NC(=O)COC(=O)c1ccccn1 807377 XBXNVZSJONHMBP-UHFFFAOYSA-N 300.314 2.276 0 40 DEAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCO[C@H](C)C2)no1 24014526 AOKFJVKKUHNDNC-CZUORRHYSA-N 315.373 2.384 0 40 DEAB Cc1ccn2cc(C(=O)NCCc3ccc4c(c3)OCO4)nc2c1 12525251 PQDPOOVQGAGWBY-UHFFFAOYSA-N 323.352 2.344 0 40 DEAB CCN(CC)C(=O)Oc1cc2nnnn2nc1-c1ccccc1 1417440 YZBJMWQVTGMWJX-UHFFFAOYSA-N 312.333 2.027 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 26295212 UIWHYEDCNJMTEY-QWRGUYRKSA-N 321.343 2.014 0 40 DEAB Nc1nc(-c2ccn(S(=O)(=O)c3ccccc3)c2)cs1 26421324 DNGUUHMXMFFKLP-UHFFFAOYSA-N 305.384 2.431 0 40 DEAB CC(=O)Nc1cccc(C(=O)NCCc2cn3ccccc3n2)c1 12667053 VUKUXWLTUBUWGS-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB Cc1csc(CNC(=O)Nc2cccnc2-n2cccn2)n1 48198191 CGYYGCHOEFAUOJ-UHFFFAOYSA-N 314.374 2.354 0 40 DEAB CNC(=O)c1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1 109004717 GHJMTFIWKAGDTR-INIZCTEOSA-N 324.428 2.375 0 40 DEAB O=C(NCCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)O 2092145 IOPNVZDAZXKDEU-INIZCTEOSA-N 312.369 2.224 0 40 DEAB biogenic CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24909940 CSQSYQBGXWAIHE-NSHDSACASA-N 318.373 2.073 0 40 DEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 44830399 VKTPYLNMWGTWPK-RYUDHWBXSA-N 320.320 2.390 0 40 DEAB CC(=O)N1CCC(NC(=O)C2(c3cccc(Cl)c3)CC2)CC1 44860228 MLBBLCUXFVBFBU-UHFFFAOYSA-N 320.820 2.499 0 40 DEAB NC(=O)[C@H]1CCCCN1Cc1coc(-c2cccc(F)c2)n1 44936872 GWCUTOWCAFVVJM-CQSZACIVSA-N 303.337 2.321 0 40 DEAB COc1ccc([C@@H](C)NC(=O)CN2CCSC2=O)c(OC)c1 44908993 QYWPWERETJSMEI-SNVBAGLBSA-N 324.402 2.050 0 40 DEAB CC(=O)N1CCC(NC(=O)COc2c(C)ccc(C)c2C)CC1 58370750 YMZTXNJIGMIHPO-UHFFFAOYSA-N 318.417 2.118 0 40 DEAB O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CCOCC1 58407511 FTTWZRGGHIQOJZ-KRWDZBQOSA-N 317.385 2.452 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)o1 48303271 QYJDGHXPTQPCTO-DGCLKSJQSA-N 319.405 2.165 0 40 DEAB CCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(O)c1 3574554 KDZOGCNPEBMKAJ-LICLKQGHSA-N 300.314 2.260 0 40 DEAB CNC(=O)N(C)C(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 12907648 XOVNMNSDMPWCTP-UHFFFAOYSA-N 323.356 2.140 0 40 DEAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)N1CCCCC1 13096197 VGDDKJLZXWGSIK-UHFFFAOYSA-N 323.824 2.223 0 40 DEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc2c(c1)CCC2 13141666 QNCADPDKFDBHKN-HOTGVXAUSA-N 324.380 2.065 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)NCC1CCCC1 63964082 JWAHGRJHEIZPFE-UHFFFAOYSA-N 304.438 2.345 0 40 DEAB c1cc(CN2CCN(c3nccs3)CC2)c2c(c1)OCCO2 64431652 YZXCYJQODJWZGE-UHFFFAOYSA-N 317.414 2.237 0 40 DEAB CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC 13615161 DQKABAPUVHHXCH-UHFFFAOYSA-N 310.423 2.116 0 40 DEAB CC1=NN(C(=O)c2ccc(Cl)cc2O)[C@](O)(C(F)F)C1 17031143 BUBZPROUFXZDPD-GFCCVEGCSA-N 304.680 2.221 0 40 DEAB CC(C)(C)c1ncc(C(=O)NCCNC(=O)c2ccoc2)s1 65401528 KFOMFHZVKJDKJZ-UHFFFAOYSA-N 321.402 2.193 0 40 DEAB NC(=O)CN(C(=O)COCc1ccccc1Cl)C1CCCC1 65491612 WRPQZTXDYMJNQD-UHFFFAOYSA-N 324.808 2.113 0 40 DEAB CN(Cc1cccs1)C(=O)[C@@H]1CSCN1C(=O)C1CCC1 69532797 JVHVVJWYHOAONW-ZDUSSCGKSA-N 324.471 2.408 0 40 DEAB CCn1cnnc1CNC(=O)N(Cc1ccccc1)C(C)C 65667671 WXMVAWRFVSTYGP-UHFFFAOYSA-N 301.394 2.418 0 40 DEAB CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc[nH]n2)cc1 66457293 RSMBJVSFKOOLJB-UHFFFAOYSA-N 314.389 2.466 0 40 DEAB COc1cc(NC(=O)c2ccncc2)ccc1N1CCCC1=O 8704410 VXTRJALVFMEDLW-UHFFFAOYSA-N 311.341 2.469 0 40 DEAB COc1ccccc1C(=O)OCC(=O)NCc1ccccc1F 7195851 DDQWNNTVJRUDJS-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB CC(C)N1CC[C@H](NC(=O)c2ccc(Br)o2)C1 70877030 OEDHHJUQPCOKMP-VIFPVBQESA-N 301.184 2.255 0 40 DEAB CC(C)=CC(=O)N[C@](C)(C(N)=O)c1cccc(C(F)(F)F)c1 79018514 YYWCWEROUNTTEG-AWEZNQCLSA-N 314.307 2.488 0 40 DEAB CN1CCC(Nc2ccc(OC3CCN(C)CC3)nc2)CC1 97038861 LETNINGDEGXCPD-UHFFFAOYSA-N 304.438 2.061 0 40 DEAB C[C@@H](CC1CC1)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97086272 VDUZJAQNUVCOSA-WFASDCNBSA-N 316.405 2.065 0 40 DEAB COc1c(C(=O)OCCc2ccsc2)cnc2c1cnn2C 96502339 UIRPYJLOGYIPPF-UHFFFAOYSA-N 317.370 2.438 0 40 DEAB CC(C)COC[C@H](C)NC(=O)c1cc(=O)[nH]c2cc(F)ccc12 72292200 ITJRIGDHEMXHAS-NSHDSACASA-N 320.364 2.458 0 40 DEAB Cc1cnc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)cn1 97198747 BJOFUONLZOIFGB-GFCCVEGCSA-N 313.405 2.024 0 40 DEAB Cc1noc(C)c1[C@H](C)CC(=O)NCc1nnc(C(C)C)n1C 97114697 SWSMDHNLYZADRJ-SNVBAGLBSA-N 319.409 2.353 0 40 DEAB COc1ncc(Cl)c(N2CCN(c3ccccc3O)CC2)n1 95415886 DIWSNIDUDLATBC-UHFFFAOYSA-N 320.780 2.171 0 40 DEAB CC(C)N1CCO[C@@H](c2noc(/C=C/c3cccnc3)n2)C1 95999239 VJZCOKNPUCFACD-VBROQKIQSA-N 300.362 2.417 0 40 DEAB c1cnn(-c2ccc(CSCCN3CCOCC3)cc2)c1 95977045 YXUMXINYLMKDOJ-UHFFFAOYSA-N 303.431 2.438 0 40 DEAB Cc1cccc(C)c1NC(=O)CCCN(C)Cc1ncnn1C 89688799 QGNRSFHTEQVVOK-UHFFFAOYSA-N 315.421 2.283 0 40 DEAB CC(=O)N1CC[C@@H](NCc2cccc3c2OCCCO3)[C@H](C)C1 89937601 IRMACDRYYWIIHA-CZUORRHYSA-N 318.417 2.194 0 40 DEAB COc1ccccc1CNC(=O)C(=O)NC1CCC(C)CC1 408706599 AFFLGPHIFRAXFI-UHFFFAOYSA-N 304.390 2.006 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCC[C@@H]1CN(C)Cc1ccccc1 79415711 MMWQYVUUWKXYLN-SJORKVTESA-N 303.450 2.093 0 40 DEAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217439638 JBWNDOASHDENSS-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB CS(=O)(=O)N1CCCC[C@H]1c1cncc(-c2cccnc2)n1 72366336 VCBNFZAGUUHALY-HNNXBMFYSA-N 318.402 2.025 0 40 DEAB Nn1c(SCc2ccncc2)nc2cc(Cl)ccc2c1=O 71327761 GYIWXJJNZUFZHE-UHFFFAOYSA-N 318.789 2.451 0 40 DEAB CN(C)c1ccccc1NC(=O)N[C@H](CO)Cc1ccccc1 71926338 RXDKKXKRSPCLQK-HNNXBMFYSA-N 313.401 2.478 0 40 DEAB O=C(CSc1n[nH]c2nc(=O)ccn12)c1ccc(Cl)cc1 223811830 CAWIXGAKWDTXBA-UHFFFAOYSA-N 320.761 2.046 0 40 DEAB O=S(=O)(CCSc1nncs1)c1ccc(F)cc1 192636678 IPKFOAYBLZGWCU-UHFFFAOYSA-N 304.393 2.243 0 40 DEAB O=C(Nc1cccc(Cl)c1)c1cc(N2CCOCC2)on1 224073594 OMWYCAQSJZVOBV-UHFFFAOYSA-N 307.737 2.417 0 40 DEAB CO[C@H]1CO[C@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 96072180 DUNYMBAIDIGQOO-SJKOYZFVSA-N 300.358 2.188 0 40 DEAB Cc1cccc(C2(CNC(=O)[C@H]3CCC(=O)NC3)CCCC2)c1 96403376 IKEXXXJQCJNSDE-HNNXBMFYSA-N 314.429 2.449 0 40 DEAB Cc1ccc(CNC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)n1C 96430458 SZSPULJLWPNTCA-LLVKDONJSA-N 309.410 2.253 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1N)[C@H]1CCCN(C2CCC2)C1 333591658 PEJDPLPNHQCXEU-XJNFMUPTSA-N 322.497 2.209 0 40 DEAB Cc1cc(N[C@H](C)C(=O)N2CCOCC2)ccc1OC(C)C 96437182 WGPLQRISGFOEJM-CQSZACIVSA-N 306.406 2.441 0 40 DEAB Cn1cc([C@@H]2COC3(CCN(Cc4cccnc4)CC3)C2)cn1 96047805 LSUOYHLRAFISSO-INIZCTEOSA-N 312.417 2.354 0 40 DEAB O=C(N[C@@H](CO)c1ccc(Cl)c(F)c1)c1ccncc1F 97100854 SYGBUPOMYBJXGL-ZDUSSCGKSA-N 312.703 2.477 0 40 DEAB Cc1cccc(NC(=O)CN(C)Cc2c[nH]nc2C(C)(C)C)n1 92760794 LHMINEFTWCZHKY-UHFFFAOYSA-N 315.421 2.481 0 40 DEAB Cc1cccc([C@@H]2CCCN2C(=O)CCS(C)(=O)=O)c1C 96437441 OLAXGBVIUFFTRS-HNNXBMFYSA-N 309.431 2.402 0 40 DEAB c1cn([C@@H]2CO[C@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96048591 ZJFVQSFPQWTCHO-DLBZAZTESA-N 305.422 2.106 0 40 DEAB O=C1C[C@H](c2cccnc2)C2(CCN(Cc3ccco3)CC2)N1 96199694 QWVXBSSCMKGQIT-MRXNPFEDSA-N 311.385 2.313 0 40 DEAB CC(C)(C)NC(=O)CN[C@@H](CO)c1ccc(Cl)c(F)c1 96500911 CAUAESDUJVARSM-LBPRGKRZSA-N 302.777 2.017 0 40 DEAB O=C(c1ccsc1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053815 QMXPNEVRFAAXFV-HUUCEWRRSA-N 313.426 2.347 0 40 DEAB COc1ccc(CCN2CCO[C@H]3CC[C@H]2[C@@H]3OC)cc1OC 247900092 QJORVGSVFMKROZ-ZVZYQTTQSA-N 321.417 2.125 0 40 DEAB Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H]1CCN(S(C)(=O)=O)C1 245339279 RQYVGAHFIUUQAZ-IIAWOOMASA-N 322.474 2.414 0 40 DEAB C[C@]12CCCCN(C(=O)c3ccccn3)[C@H]1CCCC(=O)N2 257215230 CPFJWVNIPDDGJT-YOEHRIQHSA-N 301.390 2.135 0 40 DEAB COc1ccc(CCNC(=O)NCCCc2cc(C)no2)cc1 253473083 RHUWVOXDDDWNFE-UHFFFAOYSA-N 317.389 2.466 0 40 DEAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 53202968 MDUTWFJLOAMLPN-LBPRGKRZSA-N 302.827 2.021 0 40 DEAB Cc1nccn1-c1ncc(NC(=O)[C@H](C)Oc2ccccc2)cn1 85555564 HPRBMJZSKJWIJU-LBPRGKRZSA-N 323.356 2.377 0 40 DEAB COc1ccc(C(=O)NCc2ccnc(-c3ccncc3)c2)cn1 390829464 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COCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 40161628 RNSCSCBKCKDBEP-UHFFFAOYSA-N 317.716 2.284 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1ccn(-c2ccccc2Cl)n1 50312477 LKCDSJNLDSMWCV-UHFFFAOYSA-N 321.764 2.207 0 40 DEAB COC[C@H](C)NC(=O)CSc1ccc(C(F)(F)F)cn1 40461191 CFYLXTQEEBLJTJ-QMMMGPOBSA-N 308.325 2.344 0 40 DEAB Cc1cc(=O)[nH]c(N2CCN(c3cccc(Cl)c3)CC2)n1 256893 YHIZQNQZSLZMOU-UHFFFAOYSA-N 304.781 2.058 0 40 DEAB CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCCCC1 7780618 BLQDBCRRWYVQQU-UHFFFAOYSA-N 301.390 2.236 0 40 DEAB CN(Cc1ccncc1)c1ccc2nnc(C(F)(F)F)n2n1 29874850 WEPFKRSVIGKRBN-UHFFFAOYSA-N 308.267 2.175 0 40 DEAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccnc2)C1=O 6937279 FJCVELUSSBQEIE-CEXMDJMXSA-N 320.370 2.460 0 40 DEAB CSCC[C@@H](NC(=O)c1ccc2ccccc2n1)C(=O)O 21803550 KOZNFOKLLSBCEU-CYBMUJFWSA-N 304.371 2.171 0 40 DEAB C[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1 33012184 UTMDSCPOQWEALN-CQSZACIVSA-N 323.462 2.493 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(C(=O)C[C@@H]3C=CCC3)CCO2)n1 76045851 DUUYRAZUOGRULN-OLZOCXBDSA-N 304.394 2.013 0 40 DEAB CCc1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1 12274693 UYHJBMFWPSATIU-UHFFFAOYSA-N 307.357 2.155 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)c1 103527172 VVWOZJJSLFQVIW-LWWSYDQCSA-N 311.337 2.093 0 40 DEAB CC(C)Oc1cccc([C@@H](C)NC(=O)CCn2cncn2)c1 46999368 RUWXADGRHJZVQK-CYBMUJFWSA-N 302.378 2.333 0 40 DEAB COc1ccccc1-c1cc(=O)n2nc(C(F)(F)F)nc2[nH]1 105389884 ZBPDYILDBISIBL-UHFFFAOYSA-N 310.235 2.112 0 40 DEAB Cn1ccc2c(NC(=O)C3(n4cnnn4)CCCCC3)cccc21 61720038 JBPRXWWRCXXSFQ-UHFFFAOYSA-N 324.388 2.463 0 40 DEAB O=S(=O)(Cc1ccc(F)cc1)NCCOc1ccccc1 28323609 RIZCTAWJBDNXQM-UHFFFAOYSA-N 309.362 2.324 0 40 DEAB C[C@@H](CNC(=O)Nc1nncs1)N1CCc2ccccc2C1 43127932 FXNUFGHKBPZMCO-NSHDSACASA-N 317.418 2.106 0 40 DEAB COc1cccc(NC2CCN(C(=O)c3c[nH]c(C)n3)CC2)c1 77015986 RPIIPHOOQXYUOU-UHFFFAOYSA-N 314.389 2.443 0 40 DEAB CC1CCN(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 102818311 XKAUGPYAVXYYIB-YJNKXOJESA-N 300.468 2.377 0 40 DEAB Cn1nnnc1SCCC(=O)N1CCC[C@H]1c1ccccc1 56312637 QSCLQEJSYUDSJT-ZDUSSCGKSA-N 317.418 2.056 0 40 DEAB CC[C@@H](C)NC(=O)Nc1ccc(CCN2CCOCC2)cc1 56762794 JHVWKSMWLYSASG-CQSZACIVSA-N 305.422 2.481 0 40 DEAB c1cncc(CN2CCN(c3cnc4ccccc4n3)CC2)c1 26140734 XLWJJZISEFZQIE-UHFFFAOYSA-N 305.385 2.347 0 40 DEAB O=C(CNC(=O)c1ccc2c(c1)CCCC2)NCc1ccco1 7952887 XTMYYKMVDIQIDU-UHFFFAOYSA-N 312.369 2.205 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1CN1CCc2ccccc21 58325344 JEONGCBBUNUHAD-MRXNPFEDSA-N 323.396 2.042 0 40 DEAB Cc1ccc(CNCc2c(C)nn(C)c2N2CCOCC2)s1 58416392 KLDQLZSAMLKXSH-UHFFFAOYSA-N 320.462 2.225 0 40 DEAB COc1ccc(C(=O)[C@H](C)Sc2nnnn2C2CC2)cc1 12795270 QRPKMDUMVOUZNA-VIFPVBQESA-N 304.375 2.380 0 40 DEAB CC(C)OCCCNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 28662967 SRGCEIATRPZNQX-AWEZNQCLSA-N 322.405 2.063 0 40 DEAB Cc1cc(CN2CCN(C(=O)CCc3ccccc3)CC2)no1 48354630 UXLAYTHXLKFCIF-UHFFFAOYSA-N 313.401 2.260 0 40 DEAB O=C(Nc1ccncc1)NC1CCN(Cc2ccccn2)CC1 45755595 BHDIVNXQYWSDAE-UHFFFAOYSA-N 311.389 2.263 0 40 DEAB COc1ccc(O)c(C(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 12810055 UHONLDAKHRJSNC-UHFFFAOYSA-N 314.341 2.196 0 40 DEAB O=C1NCCN(C(=O)c2ccncc2)[C@H]1c1ccccc1Cl 62689508 CHZUDAHTAPDLPR-AWEZNQCLSA-N 315.760 2.048 0 40 DEAB Cc1ccc(CNC(=O)NCC(=O)NCc2ccccc2)cc1 12995245 PBIIKDGGOAGQOK-UHFFFAOYSA-N 311.385 2.111 0 40 DEAB CCc1nc(CS(=O)(=O)C[C@H](O)c2ccccc2)cs1 49003141 FBVOQBJVJBMHLY-ZDUSSCGKSA-N 311.428 2.354 0 40 DEAB COc1ccc(NC(=O)CNC(=O)OC(C)(C)C)c(OC)c1 67126653 YKFJOZPJFZCKQC-UHFFFAOYSA-N 310.350 2.167 0 40 DEAB C[C@@H](Sc1ncc2ccccn12)C(=O)NC(=O)NC(C)(C)C 17046869 RWFVOHFDHVHZQQ-SNVBAGLBSA-N 320.418 2.439 0 40 DEAB CC(C)c1noc([C@H](C)N2CCN(Cc3cccnc3)CC2)n1 69414632 JYLDOXGBNPQBFV-AWEZNQCLSA-N 315.421 2.467 0 40 DEAB COc1ccc([C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1F 39983325 SQBATEIVBNKZRB-ZUZCIYMTSA-N 310.369 2.172 0 40 DEAB O=C([C@H](c1ccccc1)N1CC(n2cccn2)C1)N1CCCCC1 69490304 UWWFZLQBJNDSPB-SFHVURJKSA-N 324.428 2.494 0 40 DEAB O=C1NC2(CCCCC2)C(=O)N1CCOc1ccccc1F 5291914 KAOCMVNDXVNHPK-UHFFFAOYSA-N 306.337 2.459 0 40 DEAB O=C1C[C@H](C(=O)NC2(C(=O)O)CCCCC2)c2ccccc2N1 69947159 XSWLVCSZKOQLQZ-LBPRGKRZSA-N 316.357 2.016 0 40 DEAB NS(=O)(=O)c1cccc(CNc2nc3ccccc3o2)c1 65552050 IQOBVEOXVNOBRB-UHFFFAOYSA-N 303.343 2.087 0 40 DEAB COc1cc(/C=C/C(=O)Nc2n[nH]c(C)n2)ccc1OC(F)F 65523602 PUAMYZZJZUAOBR-GQCTYLIASA-N 324.287 2.375 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2C[C@H](O)c2ccccc2)n1 69534746 KIGKFMDQOFDSCV-IRXDYDNUSA-N 300.406 2.093 0 40 DEAB CC[C@H](C)NC(=O)Nc1cccc(OCCS(C)(=O)=O)c1 69632140 UUHHJDQAFALSND-NSHDSACASA-N 314.407 2.030 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H](n3ccnc3)C2)cs1 69660981 YYSICVBTDQBOJR-CYBMUJFWSA-N 304.419 2.308 0 40 DEAB Cc1cc([C@@H](C)C(=O)NCCc2n[nH]c(=S)n2C)c(C)o1 67050866 NFKGLHYZTXQMFG-SECBINFHSA-N 308.407 2.150 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(F)c1 15314173 DJDGHSQLUYRHSO-TXEJJXNPSA-N 318.348 2.248 0 40 DEAB COc1ccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)nn1 80456964 UAULHCOFZNMKSF-UHFFFAOYSA-N 323.356 2.446 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)c3cnc(C)s3)C2)no1 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HUSDLYWAPBNTEN-KRWDZBQOSA-N 324.380 2.433 0 40 DEAB c1ccc2c(c1)CO[C@]21CCN(c2cncc(-n3cccn3)n2)C1 547443625 NMDKUHUBALTGRE-SFHVURJKSA-N 319.368 2.298 0 40 DEAB Cc1ccc(CNC(=O)CCn2cc(Br)cn2)o1 32648186 JIMWJNCENGWHOH-UHFFFAOYSA-N 312.167 2.254 0 40 DEAB O=C(NCCOc1ccc(Cl)cc1)NC[C@H]1CC[C@H](O)C1 189785956 OOCDZPHIKNMPOU-AAEUAGOBSA-N 312.797 2.179 0 40 DEAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@H]1CCCO1 77647575 KLJGHXQWEKMNHK-WDEREUQCSA-N 304.173 2.322 0 40 DEAB O=C(N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1Cl 78986819 FZPOTWZXTMKGDE-JTQLQIEISA-N 320.698 2.233 0 40 DEAB Cc1c(C(=O)N2CCN(C3CCC3)C[C@H](C)C2)nnn1C(C)C 557837389 SBZSAOXEJIOMDY-ZDUSSCGKSA-N 319.453 2.114 0 40 DEAB c1cncc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)c1 72322040 LMEXQUSJQRNMCN-KRWDZBQOSA-N 321.384 2.440 0 40 DEAB biogenic,in-vitro CCN(Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 79415801 DXIGMKZFXBROMY-IRXDYDNUSA-N 303.450 2.093 0 40 DEAB Cc1cccnc1Nc1cccc([C@@H]2CCCN2C(=O)CN)n1 72382968 YRWXGPFCYXKMHZ-AWEZNQCLSA-N 311.389 2.151 0 40 DEAB O=C(NCCN1CCOCC1)c1cc2c(ccc3ccccc32)[nH]1 48384561 MOEDMNINYSTVBL-UHFFFAOYSA-N 323.396 2.383 0 40 DEAB C[C@H]1CCCN(CCCNC(=O)c2ccc3c(c2)OCCO3)C1 46960020 GNJVWQJZXODGAI-AWEZNQCLSA-N 318.417 2.310 0 40 DEAB O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1Cl 44456487 SSNJWJAOBBDOGC-MRVPVSSYSA-N 322.213 2.158 0 40 DEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccccc1 223314919 KWKVHYKVGGEICE-UHFFFAOYSA-N 304.327 2.230 0 40 DEAB Cc1nc(N2CCOCC2)nc(C)c1NC(=O)C1CCCCC1 224298674 PUZPKCVGXBNURM-UHFFFAOYSA-N 318.421 2.449 0 40 DEAB CCOC(=O)c1ccc(C(=O)Cn2c(C)csc2=O)cc1 225484973 SJPLPQSRZJGKFX-UHFFFAOYSA-N 305.355 2.278 0 40 DEAB COc1cc(N)ccc1NC(=S)NC(=O)Cc1ccccc1 226238647 NZBJBAHEQUSECR-UHFFFAOYSA-N 315.398 2.333 0 40 DEAB CN(Cc1nc2c(s1)CCCC2)c1ncnc2[nH]cnc12 96447500 QSNYSXKKSYBUDF-UHFFFAOYSA-N 300.391 2.325 0 40 DEAB Cc1ncsc1CCC(=O)N1C[C@H](C)O[C@]2(CCCOC2)C1 576207346 PJJWYBFCZUWYKG-BLLLJJGKSA-N 324.446 2.181 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)c1ccccc1-n1ccnn1 97371860 KFMKTHZDCBINNX-CQSZACIVSA-N 320.352 2.001 0 40 DEAB CCn1cc(S(=O)(=O)NC[C@@H](C)Cc2cccs2)cn1 96428363 VUUOEELTPUQPSF-NSHDSACASA-N 313.448 2.122 0 40 DEAB CC(C)(C)CC(=O)NC[C@H]1COCc2nc3cccnc3n21 96112542 YCPXPQMKPNNDEO-NSHDSACASA-N 302.378 2.055 0 40 DEAB biogenic,in-vitro O=C1C[C@]2(CCN(C(=O)Nc3ccnnc3)C2)Oc2ccccc21 578334077 USTYMZFLTAXNQO-KRWDZBQOSA-N 324.340 2.118 0 40 DEAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)NCC[S@@](=O)C(C)(C)C 96408818 SALIJIMYINJEOZ-BYVOGVQKSA-N 318.483 2.181 0 40 DEAB C1=CC2(CC[C@H]1N1CCOCC1)CCN(c1ncccn1)CC2 96240272 FIEYANJDGBHMHP-INIZCTEOSA-N 314.433 2.114 0 40 DEAB Cc1csc(COC(=O)c2cccc(-n3cccn3)n2)n1 96442920 MKIHHYSLXSSFPO-UHFFFAOYSA-N 300.343 2.389 0 40 DEAB C[C@H](C1CC1)N(C(=O)CS(=O)(=O)c1cccs1)C1CC1 96451874 YLWJDWIUHPOZIN-SNVBAGLBSA-N 313.444 2.311 0 40 DEAB O=C1N(Cc2cccnc2)CC12CCN(Cc1cccnc1)CC2 96202872 MSPQPRQKYAIRTR-UHFFFAOYSA-N 322.412 2.101 0 40 DEAB c1cnc(Sc2nnc([C@@H]3CCCNC3)n2C2CC2)nc1 96410273 DQEPFRKQAKGWJT-SNVBAGLBSA-N 302.407 2.021 0 40 DEAB COc1cc(CN2C[C@H](OC)[C@]3(CCCO3)C2)cc(OC)c1 257231530 GHDRKYKAZQISTE-IRXDYDNUSA-N 307.390 2.084 0 40 DEAB O[C@H]1CN(CCCOc2ccccc2F)CC[C@@]12CCCO2 257268031 MJYPXFWOKJJIJT-IRXDYDNUSA-N 309.381 2.210 0 40 DEAB CS(=O)(=O)N1CCC2(CC1)CO[C@@H](Cc1ccccc1)C2 257322616 WGRXGYQAEGUROE-HNNXBMFYSA-N 309.431 2.060 0 40 DEAB COc1ccc(CN2CC[C@@H]2C(=O)NCc2nccs2)cc1 585141030 OJCIKXKEUSBRMU-CQSZACIVSA-N 317.414 2.042 0 40 DEAB Cc1ccc(NC(=O)NC[C@@H](c2cnn(C)c2)N(C)C)c(C)c1 71910899 DKOPMISVNMCEQR-INIZCTEOSA-N 315.421 2.461 0 40 DEAB CCOC(=O)CCC(=O)N1CCC(Oc2cccc(C)n2)CC1 96119488 XIXLOSDFOMVKGC-UHFFFAOYSA-N 320.389 2.103 0 40 DEAB COc1cc(NC(=O)c2cnoc2C)ccc1N1CCCC1=O 11447435 JQKKBFVHKSMCLR-UHFFFAOYSA-N 315.329 2.371 0 40 DEAB S=C(NCCCN1CCCC1)Nc1ccc2c(c1)OCCO2 17452342 BWRAEYCOYOBSLB-UHFFFAOYSA-N 321.446 2.230 0 40 DEAB CN(C)C(=O)N1CCC(Oc2nccc(C(F)(F)F)n2)CC1 1888850067 CZTOUYNQOQFXTP-UHFFFAOYSA-N 318.299 2.020 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(C2CC2)ncn1 1888913446 IPEXXQGSOMTNFZ-UHFFFAOYSA-N 324.384 2.443 0 40 DEAB Fc1cnccc1CN1CCN(c2cc(C3CC3)ncn2)CC1 2086884813 IVZPCFKKMWDMCR-UHFFFAOYSA-N 313.380 2.210 0 40 DEAB O=C1CCC2(CCN(C(=O)C3(F)CC3)CC2)CN1CC1CC1 1565546199 WPULUANJHRLABG-UHFFFAOYSA-N 308.397 2.130 0 40 DEAB Fc1cnc(N2CC(Oc3ccnc(C(F)(F)F)c3)C2)nc1 1775975793 GDTKPQLCYMSFIL-UHFFFAOYSA-N 314.242 2.297 0 40 DEAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(F)C3)cc1F 1775967545 VZOODQCOLOWWCY-QWRGUYRKSA-N 317.357 2.488 0 40 DEAB C[C@@H](CNC(=O)c1cc2c(s1)CCC2)N1C[C@@H](C)O[C@H](C)C1 40087859 GYQBWMVVZALSAB-YNEHKIRRSA-N 322.474 2.464 0 40 DEAB C[C@H](Sc1nnc(CCC(N)=O)n1C)c1ccc(F)cc1 40464755 RVLLVOASCOWMFB-VIFPVBQESA-N 308.382 2.225 0 40 DEAB CC1CCC(NC(=O)CCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 100596117 KOTXEZMBLVINSZ-NEXFUWMNSA-N 318.417 2.023 0 40 DEAB Cc1nccn1-c1cc(CNC(=O)[C@H](C)OCC(C)C)ccn1 40535038 OSLBFGIINJFLNR-ZDUSSCGKSA-N 316.405 2.253 0 40 DEAB CCCOc1ncccc1CNC(=O)Cc1ccccc1O 60358969 ASTYDFUXDMLCTD-UHFFFAOYSA-N 300.358 2.435 0 40 DEAB NC(=O)[C@@H](c1ccccc1)[C@@H](C(N)=O)c1ccc(Cl)cc1 1621934 AZDOZGYXOAOENF-KBPBESRZSA-N 302.761 2.178 0 40 DEAB O=C(CSc1nnc(-c2ccncc2)o1)NC1CCCC1 4941530 HDRRRHSYQLLNCE-UHFFFAOYSA-N 304.375 2.283 0 40 DEAB Cc1nc(COc2ccc(C(=O)NCCCO)cc2)cs1 32801979 YCSHGWLXLVAPHP-UHFFFAOYSA-N 306.387 2.143 0 40 DEAB CCOC(=O)[C@@H](C)n1nc(C)n2c(cc3sccc32)c1=O 6750307 WJHPGXMHIYIGEG-MRVPVSSYSA-N 305.359 2.143 0 40 DEAB O=C(CCN1CCSC1=O)NCCSc1ccccc1 21708966 FWAXVWBLLATHHO-UHFFFAOYSA-N 310.444 2.454 0 40 DEAB O=C(Cc1ccc2c(c1)OCO2)Nc1onc2c1CCCC2 8976715 KSQRKUHEAMWOKR-UHFFFAOYSA-N 300.314 2.463 0 40 DEAB Cc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1C 102786509 ISHYZIHYWOLSCT-IEPNIYFGSA-N 315.438 2.278 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(SC)cc1 8024082 LMJWHGRAIJZEEN-NSHDSACASA-N 313.448 2.137 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)CCc3cn(C)nc3C)C2)n[nH]1 76059864 AICPFGHLCBPHNN-HNNXBMFYSA-N 315.421 2.099 0 40 DEAB C/C(=C\C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 106631357 CMKRSSHNHFAWGA-KVLWQBRYSA-N 304.365 2.341 0 40 DEAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cc3ccccc3o1)CCO2 107720182 VFGCHJXYOLKLSV-XPKDYRNWSA-N 301.342 2.451 0 40 DEAB CC1CCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)CC1 3252869 DQFHISFEWHIQJQ-UHFFFAOYSA-N 310.781 2.338 0 40 DEAB NC(=O)CCCNC(=O)C1(c2cccc(F)c2)CCCCC1 57213040 ZKHNCIDDWUTCOV-UHFFFAOYSA-N 306.381 2.409 0 40 DEAB CC(C)C(=O)N1CCC(C(=O)Nc2nnc(C(C)C)s2)CC1 26602116 ZOZWGBXTEVAKGN-UHFFFAOYSA-N 324.450 2.495 0 40 DEAB Cc1cc(C)c(CNC(=O)c2c(C)noc2C(C)C)c(=O)[nH]1 12622215 QDJOXDWBVSEXQT-UHFFFAOYSA-N 303.362 2.342 0 40 DEAB COc1cc(CCC(=O)N2CCOCC2(C)C)cc(OC)c1 58357945 ZXLXCNRNKYRNGI-UHFFFAOYSA-N 307.390 2.274 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 58426632 BOILPPSXQAMCME-HNNXBMFYSA-N 316.401 2.455 0 40 DEAB CON(C)C(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 12901298 XGXNNUACDMLWGL-UHFFFAOYSA-N 324.336 2.116 0 40 DEAB O=C1C(=O)N(CN2CCCCC2)c2cccc(Br)c21 12944697 WXLUUVGAGBRZHX-UHFFFAOYSA-N 323.190 2.422 0 40 DEAB C[C@@H]1CCCN(C(=O)CCn2ncc(=O)c3ccccc32)CC1 62923399 VTCVTIQFZNQUPX-CQSZACIVSA-N 313.401 2.435 0 40 DEAB CC[C@H](C)NC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408628329 WVPBOOXUQYJDOH-ZDUSSCGKSA-N 312.435 2.148 0 40 DEAB C[C@@]1(C(=O)NCc2ccc(F)cc2)Oc2ccccc2NC1=O 4089667 ICSPWGFTMSOLNN-KRWDZBQOSA-N 314.316 2.232 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CSc2nccn2C)c(C)c1 6369130 KDRPYYFOLLSCBX-UHFFFAOYSA-N 318.402 2.477 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)NCc1ccnc(N2CCCC2)c1 65437229 KPNYGGBZDCDVHN-UHFFFAOYSA-N 314.393 2.343 0 40 DEAB CC[C@@H](C(=O)Nc1cc(C)on1)N1CCn2c(nc(C)c2C)C1 65474459 GGWVSAUWGFUWJV-ZDUSSCGKSA-N 317.393 2.029 0 40 DEAB C[C@]1(C(=O)O[C@@H](C(N)=O)c2ccccc2)CC1(Cl)Cl 14071167 NUNMXISEPDBPPF-BXKDBHETSA-N 302.157 2.340 0 40 DEAB Cc1ccc(CNC(=O)NCC(=O)N[C@H]2CCCC[C@H]2C)cc1 14302533 DEACHHWZXDMMAI-ZBFHGGJFSA-N 317.433 2.489 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@@H]2C2OCCO2)cc1OC 69632505 WCDDSDCJQDTQGH-CYBMUJFWSA-N 321.373 2.071 0 40 DEAB O=C(CN(Cc1ccsc1)c1ccccc1)N1CCNC1=O 66831699 BXVPVAAXUZLGDA-UHFFFAOYSA-N 315.398 2.307 0 40 DEAB COc1cc(OC)cc(-c2nnc(S[C@@H]3CCOC3=O)o2)c1 4928389 FLMAVQDBSSNPCX-LLVKDONJSA-N 322.342 2.161 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2ncon2)nn1-c1ccc(F)cc1 97047485 NDFVDUBRNQBZFV-SNVBAGLBSA-N 315.308 2.194 0 40 DEAB Cc1ccc(C[C@@H](CNC(=O)c2c(C)n[nH]c2C)C(=O)O)cc1 97053565 MULIKCKGOAHZFI-AWEZNQCLSA-N 315.373 2.008 0 40 DEAB COC(=O)[C@H](NC(=O)COc1ccc(F)cc1Cl)C(C)C 9366219 ZWTIXSPVUKMWEA-CYBMUJFWSA-N 317.744 2.172 0 40 DEAB C[C@H](NC(N)=O)C(=O)N(Cc1ccccc1)C1CCCCC1 68450497 CXXAMWQXHMIEJK-ZDUSSCGKSA-N 303.406 2.405 0 40 DEAB COc1ccccc1/C=C/CN1CCS(=O)(=O)C(C)(C)C1 93735480 ACDPMZYBBLKVRU-SOFGYWHQSA-N 309.431 2.217 0 40 DEAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1(C)C 71794067 VOBNKOBYHHHUFL-GOEBONIOSA-N 314.433 2.364 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1cnn(C)c1 71796740 GRAFFNRCUYSHED-INIZCTEOSA-N 323.400 2.442 0 40 DEAB CCc1nc2n(n1)CCC[C@H]2NC(=O)CCCn1cccc1 96495132 OAEQCCXYJIZZEM-CYBMUJFWSA-N 301.394 2.074 0 40 DEAB O=S(=O)(Nc1cccnc1-n1cccn1)c1cccc(F)c1 71859405 LUHCVNCEOOYLHP-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB CCCCc1nc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)no1 71880477 FXJGRAGWKIWKPW-CABCVRRESA-N 320.437 2.388 0 40 DEAB O=C(C[S@@](=O)Cc1ccc(F)cc1Cl)NCC1CC1 71858899 LVIZVXJZSYJKEB-LJQANCHMSA-N 303.786 2.254 0 40 DEAB Cc1cc([C@@H]2CCCN([C@H](C(N)=O)c3ccc(F)cc3)C2)n[nH]1 72301114 MLUSETFUUCPLSW-CJNGLKHVSA-N 316.380 2.263 0 40 DEAB Cc1nc(Cl)cc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 71904084 SGUHOKZTQKOTHT-LBPRGKRZSA-N 320.780 2.317 0 40 DEAB C[C@@H](Nc1ccc2nnnn2n1)c1nc2cc(Cl)ccc2[nH]1 95395468 MMODOIHFHMGNFG-SSDOTTSWSA-N 314.740 2.222 0 40 DEAB CCOCCO[C@H](C)C(=O)Nc1cc(C)c(C)c(C(=O)OC)c1 95393508 KIVPHBKLSWGBPF-CYBMUJFWSA-N 323.389 2.470 0 40 DEAB CC(C)c1ccc(/C=C/CC(=O)N[C@@H]2CCN(C(N)=O)C2)cc1 95450405 WUHSHEBLZJAONX-QDLOVBKTSA-N 315.417 2.483 0 40 DEAB Cc1cc(N2CC[C@H](C(N)=O)C2)c2cc(OC(F)F)ccc2n1 95400225 UZXFBOSQIVKCFJ-JTQLQIEISA-N 321.327 2.456 0 40 DEAB NC(=O)c1cc(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c[nH]1 95410666 ONRIQFUMPHOVPT-RDTXWAMCSA-N 309.369 2.346 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)o1 73688706 YKZMJZSZNSGQEM-NXEZZACHSA-N 318.295 2.176 0 40 DEAB CCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)c1cccnc1 88479904 OVLOQKVTHSZXNT-DGCLKSJQSA-N 314.393 2.131 0 40 DEAB CC(C)(C)OC(=O)N1CC2(C[C@H](c3ccccc3)NC2=O)C1 95837079 VDOMSATVJOYSNP-CYBMUJFWSA-N 302.374 2.485 0 40 DEAB in-vitro COC(=O)[C@H]1CCN(C(=O)c2cc(C)no2)c2ccccc21 89228077 ALQFNNQQDBYXQA-LBPRGKRZSA-N 300.314 2.290 0 40 DEAB COc1ccc(CN2CCN(C(=O)N(C)C)CC2)cc1Cl 89312034 KQAJOSSKBCBIMP-UHFFFAOYSA-N 311.813 2.148 0 40 DEAB COc1ccc(CNc2ncnc(-n3cccn3)c2N)cc1C 89591168 YQYCUDBRAAYEJF-UHFFFAOYSA-N 310.361 2.174 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1 75132335 YDYJTKPWPPMKGV-INIZCTEOSA-N 312.417 2.473 0 40 DEAB CSCc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)cc1 67352333 ARNCJCIZAUATKV-CYBMUJFWSA-N 307.419 2.340 0 40 DEAB CC(C)N1CCOC[C@@]2(CC[C@@H](CNCc3cccs3)O2)C1 306125174 CIIKADJYZREJIQ-DOTOQJQBSA-N 324.490 2.496 0 40 DEAB COc1ccc(S(=O)(=O)N(CCO)c2ccccc2)cc1C 32591735 VXUORHBQVVCXAT-UHFFFAOYSA-N 321.398 2.191 0 40 DEAB CCC1(CC)CN(C(=O)NC[C@@]23CNC[C@@]2(C(F)(F)F)C3)C1 1551561192 OVOKXGKNPMQCER-KGLIPLIRSA-N 319.371 2.360 0 40 DEAB Cc1csc(Nc2nccnc2[C@H]2CCCN(CCO)C2)n1 72363464 CVCDUTLEYIPLOK-LBPRGKRZSA-N 319.434 2.157 0 40 DEAB Oc1nc(-c2cccnc2)nc2c1CN(Cc1ccccn1)CC2 72339847 RCLMMCAOVHCBFG-UHFFFAOYSA-N 319.368 2.198 0 40 DEAB COc1ncnc2c1sc1nc(N3CCOCC3)cc(C)c12 71283749 YJYHPILEXHKEOF-UHFFFAOYSA-N 316.386 2.393 0 40 DEAB CS(=O)(=O)c1cncnc1C1CCN(c2ccccc2)CC1 72356515 UUGIEXZTLZSQMR-UHFFFAOYSA-N 317.414 2.264 0 40 DEAB CC(C)(C)OC(=O)[C@@H](C(=O)O)[C@@H](N)Cc1ccc(Cl)cc1 71610400 LPSNCGHXVRQVMP-NWDGAFQWSA-N 313.781 2.252 0 40 DEAB CN1CCC[C@H](Cc2cnc(C(=O)NCc3ccccc3)cn2)C1 72382866 ZAAIHRBOBYMRDL-MRXNPFEDSA-N 324.428 2.291 0 40 DEAB C[C@@H]1CC=CC[C@@H]1COC(=O)c1cn(Cc2ccccn2)nn1 76906111 ZPAUQRJHOOORKF-ZIAGYGMSSA-N 312.373 2.481 0 40 DEAB CCc1nnc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)n1CC 139888757 QLLMRVDCPPNACH-IJLUTSLNSA-N 308.451 2.257 0 40 DEAB CCN1CCO[C@@H](C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1 81237826 AFGXNTVBCPVJMD-QGZVFWFLSA-N 317.433 2.254 0 40 DEAB COCc1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1 88567008 NEWBGKZAKWIRRX-UHFFFAOYSA-N 306.387 2.093 0 40 DEAB Cn1ccc([C@@H](NC(=O)[C@]2(C)CCCNC2)C(F)(F)F)c1 195554670 BJRHBISUGITGGR-DGCLKSJQSA-N 303.328 2.134 0 40 DEAB CCc1noc([C@H]2CCCCN2C(=O)c2snnc2C)n1 41123696 KYMKLBRTASDJFA-SECBINFHSA-N 307.379 2.159 0 40 DEAB CC[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44885867 RXSMACWZJRRNEF-QMMMGPOBSA-N 304.799 2.240 0 40 DEAB C[C@@H]1CN=C(N2CCN(C(=O)Nc3cccc(F)c3)CC2)S1 80779789 BPDQXURWTDZKBY-LLVKDONJSA-N 322.409 2.467 0 40 DEAB c1cncc(COC[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CC2)c1 96055316 NWFXXZXNVXZXAQ-OKZBNKHCSA-N 302.418 2.488 0 40 DEAB CN1C(=O)CN(C(=O)Cn2ncc3ccccc32)c2ccccc21 96450787 HKMTUMUZZKEVCX-UHFFFAOYSA-N 320.352 2.046 0 40 DEAB CC(C)N1CCN(c2cccc(NC(=O)c3ccon3)c2)CC1 96489180 KUQFSILDMZSASE-UHFFFAOYSA-N 314.389 2.457 0 40 DEAB C[C@@H](C(=O)N1CCCCC1)N1CCN(C[C@H]2CC=CCC2)CC1 93086825 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c1cc(CO[C@@H]2[C@H]3CC[C@H]2N(C2CCOCC2)CCO3)ccn1 247967203 STDKAKGUKYSLSN-KURKYZTESA-N 318.417 2.009 0 40 DEAB Cc1cccnc1[C@H](N[C@@H](C)C(=O)NC[C@H]1CCCO1)C(C)C 247894594 HAYMZDQLXWFTIF-ARFHVFGLSA-N 319.449 2.360 0 40 DEAB CNC(=O)[C@]1(c2cnccn2)CCCN1CC1CCCCC1 257279717 OHWKHIDRZLMYQO-QGZVFWFLSA-N 302.422 2.094 0 40 DEAB NC(=O)c1cnc([C@@H]2CCCCN2C(=O)c2ccccn2)s1 257219756 DHZXYHQSETYYQJ-NSHDSACASA-N 316.386 2.004 0 40 DEAB c1cncc(O[C@H]2CN(C3CCOCC3)Cc3cccn3C2)c1 253588686 ODYUUNHPZHDVPT-GOSISDBHSA-N 313.401 2.325 0 40 DEAB Cn1nc([C@@H]2CNCCO2)cc1CCOc1ccc(Cl)cc1 257235886 GZZGFPQYNMTQLH-INIZCTEOSA-N 321.808 2.356 0 40 DEAB Cc1cccc(CN2CCO[C@H](CCc3ccnc(N)c3)C2)n1 257282115 OSJOBLGEXOBCGA-QGZVFWFLSA-N 312.417 2.201 0 40 DEAB Oc1cc(C[C@H]2COCCN(Cc3ccc(F)cc3)C2)ncn1 257275937 NRPPKOPAUINZLT-CQSZACIVSA-N 317.364 2.012 0 40 DEAB Cc1cc(C(=O)NCCc2nc(-c3cccs3)c[nH]2)no1 85471182 ZPXZSWBQYRZLEN-UHFFFAOYSA-N 302.359 2.407 0 40 DEAB O=C(/C=C/c1cccs1)NCC1CCN([C@H]2CCOC2)CC1 575616368 NJQQUENECLRLLO-BWPKMQGJSA-N 320.458 2.378 0 40 DEAB C[C@@H]1CN(C(=O)Cn2cc(C3CC3)cn2)c2ccccc2NC1=O 585141917 IMPVHJLTPRBBPD-GFCCVEGCSA-N 324.384 2.382 0 40 DEAB O=C(OCCc1cccs1)c1cccc(-n2cnnn2)c1 58265305 SLJNFCQIWMMZHR-UHFFFAOYSA-N 300.343 2.123 0 40 DEAB COC(=O)c1c(C)nn(CC(=O)Nc2ccc(C)cc2)c1C 69570019 KTLOYFLHKQXPGF-UHFFFAOYSA-N 301.346 2.234 0 40 DEAB Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)S(C)(=O)=O)o1 72291597 ABFXWKLFOFKZNU-QWHCGFSZSA-N 313.419 2.465 0 40 DEAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(Sc2nc[nH]n2)o1 72324691 UVXMCCQSGADFPI-VXGBXAGGSA-N 319.434 2.217 0 40 DEAB O=C(CC1CCCC1)N1CCN(C[C@H](O)c2ccco2)CC1 85436736 IVBYRHSZQZFHKK-HNNXBMFYSA-N 306.406 2.038 0 40 DEAB O=c1/c(=C\c2cccc(Oc3ccccc3)c2)sc2ncnn12 208389 IAZFWYYWUADPKB-XNTDXEJSSA-N 321.361 2.491 0 40 DEAB CCS(=O)(=O)N1CCCc2cc(C(=O)NC(C)(C)C)ccc21 13610372 VDAOELWJPRDIIM-UHFFFAOYSA-N 324.446 2.317 0 40 DEAB COCCC(=O)N1CCC(c2cc3ncc(C)nc3[nH]2)CC1 19239361 RRLHTYMGLTUSRV-UHFFFAOYSA-N 302.378 2.009 0 40 DEAB CC(=O)NCC[C@@H]1CCCCN1Cc1nc2ccccc2[nH]1 19749015 DGRAFYMUZPRVKX-AWEZNQCLSA-N 300.406 2.444 0 40 DEAB Cc1cc(C)c(C)c(OC[C@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 16994368 RIFUKZDWMMEXHW-HLLBOEOZSA-N 307.434 2.461 0 40 DEAB COc1cccc(C(=O)N2CC(N3C[C@H]4CCC[C@H]4C3)C2)c1 1888863809 WZHYBAVKWFBVPS-GASCZTMLSA-N 300.402 2.252 0 40 DEAB Cc1cncc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889078550 YCJIGBJUXCXNOB-UHFFFAOYSA-N 318.812 2.334 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCc2nc3ncccc3cc2C1 1890078208 VVWQVSSHEOLCHY-UHFFFAOYSA-N 322.368 2.362 0 40 DEAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cnn(C)c1 244975117 ICGLHWAJBZUCEJ-NSHDSACASA-N 319.386 2.076 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](c3ncon3)[C@H](c3ccccc3)C2)no1 245171655 XOOBPNZXBYMYTJ-UONOGXRCSA-N 324.340 2.389 0 40 DEAB O=C(Nc1ncnc2sccc12)[C@H]1COc2ccccc2O1 5299475 WMJXMQPYYPOGBP-GFCCVEGCSA-N 313.338 2.470 0 40 DEAB O=C(NCc1cccnc1)c1csc(Nc2ncccn2)n1 49032178 PINSHHCKKXSAPW-UHFFFAOYSA-N 312.358 2.002 0 40 DEAB Cc1cc(C)n2nc(CC(=O)NCCC3CCCCC3)nc2n1 40106594 KJTFTKRILNBQOP-UHFFFAOYSA-N 315.421 2.370 0 40 DEAB CC(C)=C[C@@H]1[C@@H](C(=O)OCCN2C(=O)NC(C)(C)C2=O)C1(C)C 30747288 GHKFOQGCCMWNSG-NEPJUHHUSA-N 322.405 2.098 0 40 DEAB C[C@@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 31656908 MKULNEFWBJUIMB-NSHDSACASA-N 323.414 2.409 0 40 DEAB COC(=O)c1oc(CN2CCN(Cc3ccco3)CC2)cc1C 40511233 DGKJGPCAARICHM-UHFFFAOYSA-N 318.373 2.285 0 40 DEAB Cc1nnc(SCC(=O)Nc2cccc(C(=O)O)c2)s1 412027 USGNYOXVEYMDGJ-UHFFFAOYSA-N 309.372 2.276 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@H]1c1cccs1)N1CCOCC1 46264629 IFCZSZHOQCPNSK-KBPBESRZSA-N 323.462 2.315 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2ccc(C)n2C)CC1 21002327 UOZTXVFFIBEBDW-UHFFFAOYSA-N 313.401 2.305 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)CCc1ccco1 60375907 BKDIYRRKOQCBLG-GFCCVEGCSA-N 310.419 2.028 0 40 DEAB CO[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@]1(O)OC 1674560 NTWNRZOZJNNQKF-ROUUACIJSA-N 314.337 2.405 0 40 DEAB O=C(CCc1nc(-c2ccccc2Cl)no1)N1CCOCC1 2419589 OWNZJTMSINMXQM-UHFFFAOYSA-N 321.764 2.181 0 40 DEAB Cc1ccc(S(=O)(=O)NCCCn2nc(C)cc2C)cc1 2792441 AYLYILJJWUVTQV-UHFFFAOYSA-N 307.419 2.177 0 40 DEAB C[C@@H]1CN(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)C[C@@H](C)O1 32895802 SGRXLGWIKIGBJJ-XJKCOSOUSA-N 324.446 2.081 0 40 DEAB CC(=O)Nc1cccc(NS(=O)(=O)c2c(C)noc2C)c1 7053990 CNLXXDMVAJCUOX-UHFFFAOYSA-N 309.347 2.051 0 40 DEAB Cc1cccc(OCC(=O)NC[C@H]2COc3ccccc3O2)c1 7757271 XVZBQMGFSQROKB-HNNXBMFYSA-N 313.353 2.330 0 40 DEAB O=C(NCCc1ccc(O)cc1)c1cc2ccccc2oc1=O 12022176 ZWYDYLRYGAOYST-UHFFFAOYSA-N 309.321 2.471 0 40 DEAB COc1ccccc1[C@@H](CNC(=O)c1cc(C)on1)N(C)C 41298553 ZCBDIPVURNQMCZ-CQSZACIVSA-N 303.362 2.024 0 40 DEAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ccon1 2770783 GLJJEJJBIHKEJM-UHFFFAOYSA-N 300.240 2.406 0 40 DEAB Cc1cc(C)cc(C2(C(=O)NCCNc3ncccn3)CC2)c1 52776233 GHAKONSFYHMAKO-UHFFFAOYSA-N 310.401 2.353 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107265681 ZRCMJTBHHWHGNO-JKIFEVAISA-N 315.369 2.445 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)Nc2cc(CC)nn2C)C12CCC2 78937619 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CC[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 57860523 QGYJMCCLTBUCAI-IAGOWNOFSA-N 302.418 2.461 0 40 DEAB O=C(Nc1ccc(Br)cc1F)C1=COCCO1 10025833 FYMXKFGPLQPLED-UHFFFAOYSA-N 302.099 2.415 0 40 DEAB C[C@H](COCC(F)(F)F)NC(=O)c1ccc2[nH]cnc2c1 58191868 SOUIZBZCYCLFAB-MRVPVSSYSA-N 301.268 2.260 0 40 DEAB O=C(N[C@@H]1CCCNC1=O)c1sccc1-c1ccccc1 58245055 PXWWSAYPGIUEGG-CYBMUJFWSA-N 300.383 2.424 0 40 DEAB CCOc1ccc([C@@H](C)NC(=O)[C@H](C)n2cncn2)cc1OC 44915910 BPELQJBZTJDUJU-NEPJUHHUSA-N 318.377 2.124 0 40 DEAB CCc1noc(C)c1C(=O)O[C@H](C(N)=O)c1ccc(F)cc1 10320128 LXULOCZAPGGXLS-ZDUSSCGKSA-N 306.293 2.068 0 40 DEAB OCc1nnn(-c2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 62238426 XSCZKJFHVHPHQH-UHFFFAOYSA-N 313.288 2.294 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccc2[nH]nnc2c1)c1cccs1 12814168 YMFITXCAVYWOED-ZDUSSCGKSA-N 315.402 2.052 0 40 DEAB COC(=O)CCC(=O)NCc1cc(F)ccc1Br 48892629 RBEUMXINDCUQPD-UHFFFAOYSA-N 318.142 2.158 0 40 DEAB O=C(NCc1nccn1CCCc1ccccc1)c1cnccn1 81933054 VGUAAEDIIAXQGQ-UHFFFAOYSA-N 321.384 2.236 0 40 DEAB COCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccc(Cl)c(F)c1 69814045 GAWYAVVKHFOUSA-TVQRCGJNSA-N 315.728 2.100 0 40 DEAB in-vitro COc1cc([C@H]2CC(O)=Nc3c2cnn3C)cc(OC)c1O 49546242 VEGYQSDBDUXVSW-SECBINFHSA-N 303.318 2.267 0 40 DEAB COc1ccccc1CC(C)(C)NC(=O)NC[C@H]1CCCO1 69893645 MTGWFLDDXLUTGP-CQSZACIVSA-N 306.406 2.495 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1 4110055 AHERISDBQOPPND-INIZCTEOSA-N 312.369 2.395 0 40 DEAB CCC(=O)N1CSC[C@H]1C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 69420958 YGYRGKUZNAZODB-DXGYCSDQSA-N 322.474 2.335 0 40 DEAB Cc1cc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)no1 6340583 DUDMQPWEFVYOLN-UHFFFAOYSA-N 323.349 2.433 0 40 DEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OC)C1=O 4472321 HRDSDCNTMPDHHZ-YXYQAXARSA-N 321.354 2.293 0 40 DEAB COc1cc(OC)c(C(=O)OC[C@H]2CCCCO2)cc1OC 65577524 KSNKQNIIQUIPQS-LLVKDONJSA-N 310.346 2.438 0 40 DEAB COc1ccccc1NC(=O)COC(=O)c1ccccc1O 6551402 SDBKOEKKXMDCGQ-UHFFFAOYSA-N 301.298 2.196 0 40 DEAB c1ccc(CCN2C[C@H]3OC[C@H](CNc4ncccn4)[C@H]3C2)cc1 306126076 DLSPIHXDBRVWPQ-RCCFBDPRSA-N 324.428 2.078 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)CC1 69518008 OLHJEODFLZUOJW-ZWKOTPCHSA-N 321.509 2.440 0 40 DEAB C[C@H]1CCCCN1C(=O)CSc1nc(=O)ccn1C1CC1 69623011 FBWAOXFUPVWXJY-NSHDSACASA-N 307.419 2.071 0 40 DEAB C[C@H](O)CN1CCN(Cc2cc(Cl)cc3cccnc23)CC1 69950957 SNXXBQYMCFMNMR-ZDUSSCGKSA-N 319.836 2.387 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)C1CC1 110591162 WDVPGJWUIOUAJW-XUXIUFHCSA-N 313.463 2.237 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccccc2F)c1 7966720 NJEWCAWNSSFRSK-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB CC(C)c1ccc(N(C)C(=O)c2coc(S(N)(=O)=O)c2)cc1 92502452 AEZASHARMDKPAI-UHFFFAOYSA-N 322.386 2.327 0 40 DEAB Cc1cccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)c1C 22693480 OYNWAPBIFVMTAE-MRXNPFEDSA-N 304.434 2.390 0 40 DEAB CC(C)(C)NC(=O)CNC(=O)c1csc(-c2ccccc2)n1 9364194 DPCDKLAMVIIYHX-UHFFFAOYSA-N 317.414 2.455 0 40 DEAB COC(=O)[C@]1(C)CCN(Cc2cn(C)nc2-c2ccccc2)C1 97033985 NCXCCTORCQDBQV-GOSISDBHSA-N 313.401 2.472 0 40 DEAB Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](C(=O)O)C1 97016309 ZXTXHFYEBGCPPH-LBPRGKRZSA-N 300.358 2.342 0 40 DEAB O=C(NCCCNc1cc(=O)oc2ccccc12)c1ccncc1 9486531 LRMIULOIQCVKTA-UHFFFAOYSA-N 323.352 2.420 0 40 DEAB COc1c(C)c2c(c3c1C[C@@H]([C@@]1(C)CCC(=O)O1)O3)C(=O)OC2 67665248 NUOKDRKAQMMGFH-APPDUMDISA-N 318.325 2.073 0 40 DEAB in-vitro NC(=O)CCCNC(=O)C1(c2ccc(F)cc2)CCCCC1 71825482 SHSJKUTZDSWKMH-UHFFFAOYSA-N 306.381 2.409 0 40 DEAB O=C(Nc1ccnc2ccnn12)c1cnn(Cc2ccccc2)c1 71888843 SEHMJGQOQZASDV-UHFFFAOYSA-N 318.340 2.226 0 40 DEAB Cc1ccc(CCCCC(=O)N2CCCN(C(N)=O)CC2)cc1 71847500 YSRRJGKUDAIYOQ-UHFFFAOYSA-N 317.433 2.321 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 72242240 RUCOBUXCMGOYQP-DOMZBBRYSA-N 317.320 2.280 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1 72298769 UWFOIRQPKLHUET-CYBMUJFWSA-N 304.419 2.134 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cn[nH]c2C)n1 72279954 ZHBKWRNTFHDFSJ-CQSZACIVSA-N 301.394 2.226 0 40 DEAB Cc1nccn1Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 97231460 NSXSCKDUJJHVFM-UHFFFAOYSA-N 317.370 2.298 0 40 DEAB Cc1ccsc1CN1CCN(c2nccn3ccnc23)CC1 306130276 JAWOLZSZSZAPLG-UHFFFAOYSA-N 313.430 2.421 0 40 DEAB C[C@@H]1CN(c2ccc3c(Cl)ccnc3c2F)C[C@H](C(N)=O)O1 95413886 DCOBZAVEZJLDRM-PRHODGIISA-N 323.755 2.106 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)NC[C@H]1CCC(=O)N1 95407956 BXFGWYBTFAHVSQ-LLVKDONJSA-N 310.781 2.137 0 40 DEAB CCNC(=O)[C@@H]1CCCN(C(=O)Nc2scnc2C2CC2)C1 95447732 UXKWPXPTOQSZIW-LLVKDONJSA-N 322.434 2.401 0 40 DEAB CC(C)(C)[C@H](NC(=O)c1ccc2nncn2c1)C(F)(F)F 73133402 CPOBDJCJWKWLDR-NSHDSACASA-N 300.284 2.436 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc[nH]1 95992245 FXAQWEIMPDNQAX-CYBMUJFWSA-N 321.739 2.343 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)C(C)(C)c1ccc(F)cc1)CC2 95947531 NVRIZQYWHLOJBY-CQSZACIVSA-N 316.380 2.134 0 40 DEAB Cc1nc(C[C@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)no1 89718259 KWWIEEVMGOSSCZ-DZGCQCFKSA-N 320.437 2.034 0 40 DEAB CC(C)CCO[C@@H](C)C(=O)N[C@H]1CCOC2(CCOCC2)C1 89821166 CTGZVFQIZJHORN-GJZGRUSLSA-N 313.438 2.282 0 40 DEAB CC[C@H](Sc1ccccc1)C(=O)N1CC[C@@H](c2nn[nH]n2)C1 1548768190 KNXSEKGUEQISAD-YPMHNXCESA-N 317.418 2.087 0 40 DEAB O=C(Cc1ccc2c(c1)CCC2)Nc1c[nH]nc1[C@@H]1CCNC1 1549748523 XQBAUVDMHKWEAT-OAHLLOKOSA-N 310.401 2.157 0 40 DEAB CCn1c(=O)n(CC)c2cc(NC(=O)C(F)(F)F)ccc21 408535470 SUQRWSMROIEMAX-UHFFFAOYSA-N 301.268 2.344 0 40 DEAB COC(=O)CN(C(=O)c1ccc(C)cc1)n1c(C)ccc1C 34776632 BKHCXYHVZHBTLF-UHFFFAOYSA-N 300.358 2.365 0 40 DEAB CN(C)[C@H](CNC(=O)NCCOc1ccccc1)c1ccco1 54037878 WFTXMITXHJBFHD-OAHLLOKOSA-N 317.389 2.261 0 40 DEAB CNC(=O)Cc1csc(NC(=O)/C=C/c2cccs2)n1 36709815 VJLMDLQKTWUDMT-SNAWJCMRSA-N 307.400 2.145 0 40 DEAB Brc1ccc2ncc(CNc3ncccn3)n2c1 187927876 UUJRLANCBYFAGE-UHFFFAOYSA-N 304.151 2.499 0 40 DEAB CCOC(=O)[C@@H](C)S(=O)(=O)/C(=C\N1CCCCC1)CC 31720369 OLHFLOJRNDCFFC-NPRUJURCSA-N 303.424 2.090 0 40 DEAB CC(C)O[C@@H](C(=O)NCc1cccc(CO)n1)c1ccccc1 565667435 QFOUKPHZSWKCID-QGZVFWFLSA-N 314.385 2.356 0 40 DEAB C[C@@](O)(CNC(=O)COc1ccc(F)cc1)c1ccccc1 70639562 IZYIUBQCAJIHEL-QGZVFWFLSA-N 303.333 2.228 0 40 DEAB CN(CCO)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391663 ZSHOWMOZMRPPRU-HOTGVXAUSA-N 306.406 2.148 0 40 DEAB C[C@H]1CN=C(N2CCN(C(=O)[C@@H](C)c3cccs3)CC2)S1 73118010 NVUJOYDARGLULW-RYUDHWBXSA-N 323.487 2.487 0 40 DEAB C[C@@H]1CN(CC(=O)NC2CCOCC2)c2cc(Cl)ccc2O1 76005663 WSZLHDAXETXMRE-LLVKDONJSA-N 324.808 2.223 0 40 DEAB O=C1Nc2ccccc2CC[C@@H]1Sc1nc2ncncc2[nH]1 225624604 GEMITBCFIUAPNI-LBPRGKRZSA-N 311.370 2.399 0 40 DEAB COc1cccc(OCCNS(=O)(=O)c2ccc(C)cc2)c1 45810489 UXZOUMPMSCKRGJ-UHFFFAOYSA-N 321.398 2.361 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1OC 41194852 GLJPKVYVZAYXTP-HUUCEWRRSA-N 319.401 2.416 0 40 DEAB COc1ccccc1NC(=O)NCc1cc(C)nc(N(C)C)n1 191427726 YXEUPBAYBHUOMA-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB CCCc1nnsc1C(=O)NC[C@@H]1Cc2ccccc2CO1 225785527 VIIKARFOBOIGOD-ZDUSSCGKSA-N 317.414 2.362 0 40 DEAB CCN1CCN(C(=O)c2ccc(OC)c(COC(C)C)c2)CC1 224430416 MKGVFVMFIHKFGU-UHFFFAOYSA-N 320.433 2.398 0 40 DEAB CCNC(=O)N1CC[C@H](c2nnc(-c3ccc(OC)cc3)o2)C1 49170923 RKMCJGYUNXKYNT-LBPRGKRZSA-N 316.361 2.264 0 40 DEAB biogenic,in-vitro O=C(C1CCC1)N1C[C@@H]2CN(Cc3ccsc3)CCO[C@@H]2C1 96108221 BQQPEONHEBWPKZ-JKSUJKDBSA-N 320.458 2.207 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cc(Br)c[nH]1)C(C)(C)C 96417274 AEUCBGYGYFHXAP-SECBINFHSA-N 317.183 2.095 0 40 DEAB CC(C)CN1C[C@@H]2CN(Cc3nccs3)CCN2C(C)(C)C1 514288611 DHWKUAYIVRYYPJ-HNNXBMFYSA-N 322.522 2.380 0 40 DEAB biogenic,in-vitro CCOC(=O)N[C@@H]1CCCN(Cc2cccc3cn[nH]c23)C1 96489780 ZBGZFSLIKHFBNC-CQSZACIVSA-N 302.378 2.273 0 40 DEAB COc1cccc(N2C[C@]3(CCN(C(=O)C4CC4)C3)CC2=O)c1 96238954 TUIKBLJJIHMQHP-GOSISDBHSA-N 314.385 2.061 0 40 DEAB c1cc(CN2CCn3cc(CN4CCCCC4)nc3C2)co1 96197253 IUINWPQQCBKDSM-UHFFFAOYSA-N 300.406 2.478 0 40 DEAB Cc1cccc(NCCN2CCN(C(=O)C3CCCC3)CC2)n1 97096467 XRBRPHYHTAWDSC-UHFFFAOYSA-N 316.449 2.136 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c1 96440182 KVTIRXITOSSUJI-STQMWFEESA-N 316.405 2.420 0 40 DEAB Cc1cccnc1NC(=O)C1CCN([C@H]2CCCC[C@@H]2O)CC1 95444971 COBVDERTKUVPGQ-HOTGVXAUSA-N 317.433 2.344 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1cc(C(C)C)nn1C 96461687 JEKWGMGDZKJKEA-QWHCGFSZSA-N 321.421 2.395 0 40 DEAB Cc1occc1C(=O)N1Cc2ccnn2C[C@@H](OCC2CC2)C1 248048521 WDNOJBOAEFMYKA-HNNXBMFYSA-N 315.373 2.236 0 40 DEAB COc1ccc(CN(C)[C@@H](C)C(=O)NC[C@H]2CCCO2)cc1C 245339346 SDYKQWRVNVNWMH-GOEBONIOSA-N 320.433 2.119 0 40 DEAB Cc1cc(CN2CC3(C2)OCC[C@@H]3COc2ccccn2)no1 247887839 FBHYNTULSNUBHM-CQSZACIVSA-N 315.373 2.048 0 40 DEAB COc1cccc(-n2nc(C(=O)O)c(N3CCC(C)CC3)n2)c1 256048654 VDSMEDDTTQDPKV-UHFFFAOYSA-N 316.361 2.210 0 40 DEAB Cn1cc(N2CC[C@H](N[C@H]3CCC[C@H]3c3ccccc3)C2=O)cn1 253369383 BXRDBLIVYVPQMK-BZSNNMDCSA-N 324.428 2.451 0 40 DEAB NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 48088556 BZQYQZNPKNGYID-SNVBAGLBSA-N 315.200 2.260 0 40 DEAB Cc1cc(NC(=O)CN(C)C(=O)c2ccc3ccccc3n2)no1 58369875 CRYSIOKBRBTSNT-UHFFFAOYSA-N 324.340 2.242 0 40 DEAB O=C(NC[C@@H](C(=O)O)c1ccccc1)c1ccncc1Cl 91449412 VNHSPJBXPYLSKM-GFCCVEGCSA-N 304.733 2.333 0 40 DEAB Cc1ccc(C2=NO[C@@H](C[C@]3(C(=O)O)CCCNC3)C2)cc1 12157349 PTBWTHAKAKKNIL-RHSMWYFYSA-N 302.374 2.333 0 40 DEAB COc1cccc(OCc2nnc(S)n2C[C@@H]2CCCO2)c1 13535107 KFZXZYJZWSERLH-ZDUSSCGKSA-N 321.402 2.333 0 40 DEAB CN(C)Cc1cc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)nn1C 19709011 AKQUYWORKVKING-CYBMUJFWSA-N 306.454 2.234 0 40 DEAB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccnc2)C1=O 6326953 QABWDTREXATFPY-WUXMJOGZSA-N 320.370 2.317 0 40 DEAB CCOCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 10972289 OIUFWHWLKMWFNW-UHFFFAOYSA-N 320.389 2.433 0 40 DEAB COCCN1CCC(CNC(=O)c2ccc(C)c(C)c2)CC1 23127934 WRNWZROESRKZPI-UHFFFAOYSA-N 304.434 2.392 0 40 DEAB COC[C@@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2cn(C)nc21 1142541327 CHBNOIGMGJVJDY-YOEHRIQHSA-N 303.406 2.239 0 40 DEAB CCN1CC2(CCC1=O)CCN(C(=O)CC1(OC)CCC1)CC2 1565545612 LOTVGZBIQPENHV-UHFFFAOYSA-N 322.449 2.197 0 40 DEAB Cc1ncnc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3OCC2CC2)c1C 2055739004 GSJCPLFLFUCICT-YCPHGPKFSA-N 301.390 2.123 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)CCc1ccccc1)c1ccco1 23107776 QRGOLCXKADBHJJ-OAHLLOKOSA-N 322.430 2.044 0 40 DEAB O=C(NCc1cccnc1)NCc1nccnc1-c1ccco1 575414236 DMFIQDPMUDTHGJ-UHFFFAOYSA-N 309.329 2.131 0 40 DEAB CCN[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5258309 YOWPHVZFWRFJGI-SNVBAGLBSA-N 305.161 2.385 0 40 DEAB C[C@H](NC(=O)CC1CCCCC1)C(=O)NC[C@H](C)N1CCCC1 69530597 NEUCTXQGLSEBNE-GJZGRUSLSA-N 323.481 2.062 0 40 DEAB COC(=O)N1CCCN(C(=O)Nc2ccc(F)c(F)c2)CC1 69595715 OPBSMWSQHHEIFG-UHFFFAOYSA-N 313.304 2.271 0 40 DEAB COc1ccccc1CN1CCN([C@@H](C)c2nnc(C)o2)CC1 69568197 VNCVNOBJJQUFCX-ZDUSSCGKSA-N 316.405 2.265 0 40 DEAB Cc1ccc(C(C)C)c(OCC(=O)OCC(=O)NC2CC2)c1 3478365 DIXJCBABBAOFPH-UHFFFAOYSA-N 305.374 2.319 0 40 DEAB O=C(Nc1cccnc1-n1cccn1)c1cnc2ccccc2n1 32817037 SPAGBLBNSMVLIZ-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1F 7203224 UUADNQHTVRPKDU-QMMMGPOBSA-N 321.381 2.208 0 40 DEAB CN(Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 42207911 ADTULFZVPOCYRB-LLVKDONJSA-N 318.236 2.068 0 40 DEAB CN(C)C1(CNC(=O)Nc2nnc(C3CC3)s2)CCCC1 47498780 DLBZBKAQJJVLER-UHFFFAOYSA-N 309.439 2.411 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CCCN(C)C2)nn1-c1ccccc1 76022256 AMWBUUBIKLHHRD-MRXNPFEDSA-N 312.417 2.347 0 40 DEAB Cc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1 23234559 JZLYOLMLWUIMGJ-UHFFFAOYSA-N 317.414 2.389 0 40 DEAB CS(=O)(=O)Nc1ccccc1C(=O)NCC1CCCCC1 23694858 LWPAHNPOEWYNFM-UHFFFAOYSA-N 310.419 2.368 0 40 DEAB COC[C@H]1CCC[C@]12CN(C(=O)Cc1cccc(F)c1)CCO2 107194404 WJWMDYYLDIWJDQ-QAPCUYQASA-N 321.392 2.412 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1COc2ccccc2C1 106661521 FHMFRGLMFZBGAE-BBWFWOEESA-N 314.429 2.323 0 40 DEAB C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)CN1CCCC1 47920293 LBCLRYDSBLRYHG-AWEZNQCLSA-N 314.433 2.344 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)N1CCCCC1 25404515 PVLMERBEDGATNZ-GFCCVEGCSA-N 319.405 2.467 0 40 DEAB O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@H]3CCCC[C@H]3C2)C1 107510772 ATYPPTJMZSYBIK-XHSDSOJGSA-N 304.434 2.284 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 119913598 INNBRJZEBHYXFI-MRXNPFEDSA-N 317.433 2.349 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3C[C@H](C)OC[C@@H]3C)cnc21 44909591 HKIXWPOFAGISQU-RYUDHWBXSA-N 302.378 2.262 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)CCNc1ncccn1 58440654 MPJJWYVGYDJDGI-UHFFFAOYSA-N 314.389 2.382 0 40 DEAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 409044923 DIURSJFUFPQRDU-LMOYCYGVSA-N 319.744 2.182 0 40 DEAB CS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cccs2)c1 3410082 OISQLQLTABPMFT-UHFFFAOYSA-N 324.379 2.191 0 40 DEAB Cc1cc(CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)no1 8775378 CHYAVIXAUMIJGO-HNNXBMFYSA-N 324.340 2.127 0 40 DEAB O[C@H]1CC[C@@H]2CN3CCc4cc5c(cc4[C@@H]3C[C@@H]2C1)OCO5 6091497 UEZSUAXJWCMWEK-HOSILWTGSA-N 301.386 2.495 0 40 DEAB C[C@H]1COCCN1Cc1nc(COc2ccc(F)cc2)no1 65443212 SQUMVTPHHBSYSJ-NSHDSACASA-N 307.325 2.008 0 40 DEAB CCCc1cc(C(=O)NCc2nnc3n2CCC3)sc1C 65417315 GISDSQWAWYJOHK-UHFFFAOYSA-N 304.419 2.477 0 40 DEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)N1CCCCCC1 5388231 GQYMXGLTZPMOEF-UHFFFAOYSA-N 311.385 2.313 0 40 DEAB Cc1cccc(OCCCCC(=O)N2CCC[C@H](C(N)=O)C2)c1 65625129 UMMUVZFFHVHEFD-HNNXBMFYSA-N 318.417 2.268 0 40 DEAB COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(OC)c1 14218716 QFASVFUFVIYPQG-UHFFFAOYSA-N 318.354 2.291 0 40 DEAB C[C@H]1CCc2sc3nc(NCCCO)n4ncnc4c3c2C1 5562201 NNURIWCVWKEBTJ-VIFPVBQESA-N 317.418 2.258 0 40 DEAB O=C(CSc1ncn[nH]1)N(Cc1ccccc1F)C1CC1 8938676 XCHMAKREOGNZBE-UHFFFAOYSA-N 306.366 2.227 0 40 DEAB C[C@@H](Oc1ccc(C(N)=O)cc1)C(=O)NCC1CCCCC1 14735784 BCPHMJQRTWMKBE-GFCCVEGCSA-N 304.390 2.249 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 4975719 YOAAVUQOAVCKRZ-GFCCVEGCSA-N 317.389 2.231 0 40 DEAB CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1 67200300 FJLDGFBQVUPEDL-SIFUEBAJSA-N 312.369 2.109 0 40 DEAB C[C@H]1c2cccn2CCN1S(=O)(=O)c1ccc(Cl)nc1 7007683 MTDZXXRXFPWJEB-JTQLQIEISA-N 311.794 2.302 0 40 DEAB CCN1CCC(NC(=O)CN(C)Cc2ccc(C)cc2C)CC1 15308913 SOMFTXHSOYLLJJ-UHFFFAOYSA-N 317.477 2.336 0 40 DEAB c1ccc(-c2nc(CN3CCO[C@@H](Cn4cccn4)C3)co2)cc1 69385427 VGLCRELMEXMOAM-QGZVFWFLSA-N 324.384 2.439 0 40 DEAB O=C(CSc1ncccn1)Nc1cccc2nsnc12 8333506 FSTPCHSICGFMDX-UHFFFAOYSA-N 303.372 2.212 0 40 DEAB O=C(CCNC(=O)c1ccccc1)NCc1ccccc1F 8391071 HMPHHVPCNWQVJE-UHFFFAOYSA-N 300.333 2.262 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 71883224 HZMWGXLWKZPRAD-LLVKDONJSA-N 316.336 2.157 0 40 DEAB CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2cc[nH]n2)cc1 72035935 MFPKJNNVLRXMEP-UHFFFAOYSA-N 300.362 2.076 0 40 DEAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)CC(=O)NCC(F)(F)F 97052592 GLHYOXTZMWPZJQ-XPTSAGLGSA-N 314.307 2.105 0 40 DEAB C[C@H](O)C(=O)NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 97163965 TXPZURBVIFOYMD-SUMWQHHRSA-N 324.380 2.344 0 40 DEAB Cc1nc(C)c(C(=O)N2CCOC[C@@H]2c2cccn2C)s1 97143873 XJIZEKUNMVYCBI-CYBMUJFWSA-N 305.403 2.312 0 40 DEAB COC[C@@H]1CCCN(Cc2nnc(-c3ccccc3)n2C)C1 84307064 RAVJZHFGLNRBBT-CQSZACIVSA-N 300.406 2.341 0 40 DEAB COc1ccc(NC(=O)CCc2cc(OC)no2)c(OC)c1 79478125 OAJWUHPVSDFDOE-UHFFFAOYSA-N 306.318 2.272 0 40 DEAB COc1ccc([C@H](CO)Nc2ncc(Br)cn2)cc1 95397832 RWXCTTOEEDWWGD-LBPRGKRZSA-N 324.178 2.393 0 40 DEAB Cc1cnc(CCNC(=O)N[C@H](C)C[C@@H](O)c2ccco2)s1 95413542 COKCTLOZEKGJFG-ZYHUDNBSSA-N 323.418 2.398 0 40 DEAB C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(Cl)cc2F)CCN1C 95457641 CKNLJYZIQBNUHT-UWVGGRQHSA-N 320.817 2.192 0 40 DEAB CCNC(=O)[C@H]1CCCN(C(=O)Nc2scnc2C2CC2)C1 95447733 UXKWPXPTOQSZIW-NSHDSACASA-N 322.434 2.401 0 40 DEAB CNC(=O)[C@@H]1CCCN1C(=O)NC1CCC(C(F)(F)F)CC1 95436840 OEJLREUNXFBFNS-ILDUYXDCSA-N 321.343 2.028 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)Cc2cnn(C)c2)C12CCCCC2 98016444 YXNSMBSVYLOBSB-LSDHHAIUSA-N 305.422 2.207 0 40 DEAB CCN1CCN(C(=O)N[C@H](c2ncc(C)s2)C2CC2)CC1 74706755 UTZCFMVFBKURRV-ZDUSSCGKSA-N 308.451 2.250 0 40 DEAB O=C([C@@H]1CSc2ccccc21)N1CCN(CC(F)F)CC1 89857841 ADSVGAFIXCDUQB-GFCCVEGCSA-N 312.385 2.285 0 40 DEAB CCC[C@@](C)(CO)NC(=O)Nc1ccc2oc(=O)ccc2c1 89949444 JKEONYGJVZNNRJ-INIZCTEOSA-N 304.346 2.466 0 40 DEAB COc1ccccc1-n1ccn(Cc2ccc(C)cc2)c(=O)c1=O 22722621 POSGAECFQYVVLZ-UHFFFAOYSA-N 322.364 2.365 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)CC2(O)CCCCC2)C1 73761230 CJCGDZYBNUPSKZ-CABCVRRESA-N 324.465 2.271 0 40 DEAB O=C(O)C1=NN(c2ccc(OC(F)(F)F)cc2)C(=O)CC1 1535643998 RAXOVPBVUSIUDZ-UHFFFAOYSA-N 302.208 2.153 0 40 DEAB Cn1ccc2c(NC(=O)c3ccc4nnc(O)n4c3)cccc21 534271203 NXXTXNIAIBGOCM-UHFFFAOYSA-N 307.313 2.179 0 40 DEAB O=C(Cc1cncc2ccccc12)Nc1c[nH]nc1[C@@H]1CCNC1 1553867549 QFKXUUPAAQBGPA-CYBMUJFWSA-N 321.384 2.216 0 40 DEAB CC(C)N(C[C@H]1CCCN(CC(=O)O)C1)C(=O)OC(C)(C)C 79410696 LSOPXNJVKDXCOE-ZDUSSCGKSA-N 314.426 2.429 0 40 DEAB O=C(c1cnccn1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 72378759 LZNYYZZYQHFRGT-HNNXBMFYSA-N 320.356 2.035 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(F)c2)CC1 74946766 IBAFHDTXTFRVIL-UHFFFAOYSA-N 309.337 2.250 0 40 DEAB CC(C)c1nccn1CCC(=O)N1CCC2(CC1)OC[C@H](C)O2 73855850 UVCHRHLMXAOPMN-AWEZNQCLSA-N 321.421 2.151 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCC(CN(C)Cc2ccccc2)CC1 79415765 RESVSODOKCKBHL-SFHVURJKSA-N 317.477 2.340 0 40 DEAB COc1ccc([C@@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218113414 NJLMFCVZIITXAR-BRWVUGGUSA-N 317.410 2.271 0 40 DEAB CC(=O)NC1CCC(N[C@H]2CCN(CC3CCCC3)C2)CC1 133096530 ACULNEZHHYBQMX-ABHNRTSZSA-N 307.482 2.288 0 40 DEAB CC(=O)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 49171024 DVADTWVTDQDOPW-LBPRGKRZSA-N 310.357 2.478 0 40 DEAB biogenic,in-vitro O=C(CCNC(=O)c1[nH]nc(C2CC2)c1Cl)NC1CCCC1 88579248 VPLOJJZTUWDRQH-UHFFFAOYSA-N 324.812 2.119 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Cc1c(C)noc1C 88269765 QHQYFSFMFMDDGK-OCCSQVGLSA-N 308.378 2.072 0 40 DEAB COc1ccc([C@H]2CCCCCN2C[C@](C)(O)C(=O)O)cc1 572168932 QUXYPRKJARSNFV-WBVHZDCISA-N 307.390 2.448 0 40 DEAB C[C@@H]1NC(=S)N(c2cccc(NC(=O)C(C)(C)C)c2)C1=O 42735712 UPRMVXZTKJMRGH-VIFPVBQESA-N 305.403 2.281 0 40 DEAB CCCN1CCCC[C@@H]1C(=O)NC[C@@](C)(O)c1ccsc1 195533968 NLFRIQFHVKXUMC-GDBMZVCRSA-N 310.463 2.336 0 40 DEAB CC(=O)NC1CCC(NC[C@@H](O)c2ccccc2Cl)CC1 133544492 KHQVPZALYOBTBK-SEEARECTSA-N 310.825 2.410 0 40 DEAB C[C@@H]1CCO[C@H]1C(=O)N(c1ccc(F)cn1)C1CCOCC1 95427928 IDSSUVKHWMTYHZ-IAQYHMDHSA-N 308.353 2.158 0 40 DEAB O=C(NCc1ccco1)[C@@H]1C[C@@]12CCN(C(=O)c1ccccc1)C2 96227121 ZQRFGOCLKYRCHG-QFBILLFUSA-N 324.380 2.448 0 40 DEAB CCOC[C@@H]1CN(C(=O)Cc2cccs2)Cc2cncn2C1 96208033 CBZHYTHHOHSRCA-CYBMUJFWSA-N 319.430 2.182 0 40 DEAB C[C@H]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCOC3)cc2)C1 96443934 JXKLOFNQMLSOBQ-LSDHHAIUSA-N 318.417 2.382 0 40 DEAB CCCc1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2)[nH]n1 97160151 HNHVIMPSUPLBFR-CYBMUJFWSA-N 301.346 2.308 0 40 DEAB COC(=O)c1cc(Cl)cc(NCC(=O)NCc2ccco2)c1 96412935 QVZKRTIDIXWYIX-UHFFFAOYSA-N 322.748 2.448 0 40 DEAB CCN1/C(=C2\C(=O)N(C)C(=S)N2C)Sc2ccccc21 97578164 JBWFHOJUIHZGDR-QBFSEMIESA-N 305.428 2.476 0 40 DEAB CC(=O)c1ccc(F)cc1NCC(=O)N1C[C@H](C)O[C@H](C)C1 97371500 DAIOOOQRRNJUOH-PHIMTYICSA-N 308.353 2.076 0 40 DEAB c1cncc(N2CCC3(CCO[C@H]3Cc3cncnc3)CC2)c1 257271267 MXPOCVOZJQPCAA-KRWDZBQOSA-N 310.401 2.490 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2ccncn2)s1 257254638 KEBKSMODFJZLGI-CYBMUJFWSA-N 302.403 2.456 0 40 DEAB CN(CCCOCc1ccccc1)C(=O)Nc1ccn(C)n1 281287856 HAFOUPVVKGHIRV-UHFFFAOYSA-N 302.378 2.491 0 40 DEAB Cc1ccc(NC(=S)N(C)[C@]2(C)CCS(=O)(=O)C2)cc1 575421854 SAOYJYVHXJHAAO-CQSZACIVSA-N 312.460 2.201 0 40 DEAB CO[C@@H]1CCN(C(=O)c2nccn2C)C[C@H]1Cc1ccccc1 585276941 KSWYPTQXZNPZHD-HZPDHXFCSA-N 313.401 2.140 0 40 DEAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 5251593 DYJJUKOWEVHPCA-UHFFFAOYSA-N 311.385 2.316 0 40 DEAB Cc1ccccc1NC(=O)Cn1nc2c(cc1=O)C[C@@H](C)CC2 12414918 DGAFJAKGFARZJN-LBPRGKRZSA-N 311.385 2.315 0 40 DEAB O=C(NCCc1nc(-c2ccncc2)n[nH]1)Nc1ccccc1 13565339 DXOXKTDMZASPTR-UHFFFAOYSA-N 308.345 2.231 0 40 DEAB CC1=NN(C(=O)c2ccc(Cl)cc2O)[C@@](O)(C(F)F)C1 17031142 BUBZPROUFXZDPD-LBPRGKRZSA-N 304.680 2.221 0 40 DEAB NC1CCN(C(=O)c2cc(F)ccc2Br)CC1 36753491 MQQLXRSHXOKQME-UHFFFAOYSA-N 301.159 2.152 0 40 DEAB Cc1ccc(CCC(=O)N2CC(Nc3ncccn3)C2)cc1C 238885952 PZVMYLMMSDBBER-UHFFFAOYSA-N 310.401 2.349 0 40 DEAB Oc1ccc(N2CCN(c3ccnc4ccccc34)CC2)nn1 2087044534 OPAOJEPFILGRDH-UHFFFAOYSA-N 307.357 2.057 0 40 DEAB O=C(Cc1ccccc1Cl)NCCn1ccn2nccc12 206743049 XXCXWBUCIUEDNF-UHFFFAOYSA-N 302.765 2.148 0 40 DEAB O=C(NCc1cn(-c2cccnc2)nn1)c1ccc(Cl)s1 575414491 SHQLULRCWJTTGA-UHFFFAOYSA-N 319.777 2.307 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)C=C(C2CC2)C2CC2)C1 50425237 OIXIZMSZFZZJJK-CQSZACIVSA-N 302.418 2.250 0 40 DEAB COCCNC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 20531038 LAQIMCZMJAFLDP-QGZVFWFLSA-N 324.380 2.146 0 40 DEAB O=C(c1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1 266660 MODQFAGQDZHIAM-UHFFFAOYSA-N 312.344 2.424 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C)c1 101588744 FSHYRXIJLCRZCS-APYUEPQZSA-N 311.337 2.232 0 40 DEAB O=c1cc(CN2CCO[C@@H](c3ccccc3)C2)nc2ccccn12 29535550 YRJRTKOKVTWQNE-QGZVFWFLSA-N 321.380 2.268 0 40 DEAB CCn1nnc(NC(=O)c2cc(Cl)cc(Cl)c2OC)n1 557597 WVWPCJVRIAHXNT-UHFFFAOYSA-N 316.148 2.261 0 40 DEAB O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCC1 386125 YNKUXEXZXRTSFV-UHFFFAOYSA-N 303.383 2.236 0 40 DEAB Cn1c(-c2ccc(F)cc2)nn(CN2CCOCC2)c1=S 21319780 AGLKTSRFZOHDMK-UHFFFAOYSA-N 308.382 2.047 0 40 DEAB c1nc(N2CCC(CN3CCOCC3)CC2)c2sccc2n1 52326019 UISVXKQZJLVFJJ-UHFFFAOYSA-N 318.446 2.240 0 40 DEAB CCOC(=O)Cn1nc(-c2ccc3c(c2)CCCC3)ccc1=O 41195307 CONDDPSYKKAERI-UHFFFAOYSA-N 312.369 2.352 0 40 DEAB Cc1c(Cl)c(C(F)F)nn1CC(=O)NC[C@H]1CCCO1 2779186 XEJLIGHTWPJUQY-MRVPVSSYSA-N 307.728 2.078 0 40 DEAB CC(C)C[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1ccccc1 23054097 NBIWJQGDCFWWLM-OAHLLOKOSA-N 316.401 2.429 0 40 DEAB COCCN(C)CC(=O)N1CC[C@H](C)Sc2ccccc21 54354255 UOERABJTIAGWQZ-ZDUSSCGKSA-N 308.447 2.482 0 40 DEAB C[C@H](NC(=O)Nc1ccccn1)c1ccc2c(c1)NC(=O)CO2 46975634 FKONNCPZSSPYAS-JTQLQIEISA-N 312.329 2.295 0 40 DEAB C[C@H](C(=O)N1C[C@H](C)[C@@H](N2CCOCC2)C1)c1ccsc1 76052740 QDJDAJDRRVFDDG-YDHLFZDLSA-N 308.447 2.031 0 40 DEAB CC(=O)N1CCN(Cc2coc(-c3ccc(F)cc3)n2)CC1 24238493 ZXJPVADRBSDMQE-UHFFFAOYSA-N 303.337 2.145 0 40 DEAB Cc1ccc(N2CCCN(C(=O)Cc3ccsc3)CC2)nn1 105812065 OURHGAKVOLFOAT-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB NC(=O)c1cc(NCC(=O)Nc2cccc(F)c2)ccc1F 47272722 UHCSBFIWZBFJEE-UHFFFAOYSA-N 305.284 2.114 0 40 DEAB C[C@@H](Sc1n[nH]c(N)n1)C(=O)c1ccc(OC(F)F)cc1 24989419 RRVZPGSRVVOHLF-ZCFIWIBFSA-N 314.317 2.352 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)Cc1noc2ccccc12 24989727 RXZNPFPAGRBLAG-ZDUSSCGKSA-N 310.357 2.298 0 40 DEAB Cc1nc2ccccc2n1CCCNC(=O)NC[C@H]1CCOC1 43471200 VSNRAEJAQUBZGM-CQSZACIVSA-N 316.405 2.071 0 40 DEAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1cccnc1 47778298 GGLAGYQWDRSIKR-JSGCOSHPSA-N 302.378 2.338 0 40 DEAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2[nH]c(=O)[nH]c2c1 12507585 ZBPQOOUWUDARGC-UHFFFAOYSA-N 321.340 2.304 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CN1CCCC1=O 44686407 RZWOGFSTUVWNHX-CYBMUJFWSA-N 304.390 2.340 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2CN1CCc1cccs1 58209995 JUVWHXJZTOXPJY-INIZCTEOSA-N 300.427 2.464 0 40 DEAB Cc1cnc(NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)s1 44919405 DNFPGVTUDOJDIQ-LBPRGKRZSA-N 322.434 2.318 0 40 DEAB CC(=O)c1ccc(OCC(=O)Nc2c(C)nn(C)c2C)cc1 8287656 ZKWDWFPBMNZRSA-UHFFFAOYSA-N 301.346 2.257 0 40 DEAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)OCCCO2 48238016 FFENOFINLPQBNB-NSHDSACASA-N 314.341 2.027 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 29077208 AVTZWUJTNDKXFL-CQSZACIVSA-N 323.356 2.237 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cnnn2)c1 12772560 DJLDGRBIGZRKFO-GFCCVEGCSA-N 305.341 2.254 0 40 DEAB COC[C@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)O 13034879 KFZLZXHIMXWBAE-NSHDSACASA-N 317.341 2.068 0 40 DEAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1ccsc1 69532566 IYMSFCANRNUBIV-INIZCTEOSA-N 319.382 2.489 0 40 DEAB COc1cccnc1NC(=O)Cc1c(C)nn(C(F)F)c1C 65493428 IJOCJYHIODSTJZ-UHFFFAOYSA-N 310.304 2.480 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)NCCCN1CCOCC1 65549290 PLCUHEOBYSELAU-UHFFFAOYSA-N 311.813 2.492 0 40 DEAB CCSc1nnc(NC(=O)Cn2nnc3ccccc32)s1 14134642 OKIZRXFLOJYMAQ-UHFFFAOYSA-N 320.403 2.034 0 40 DEAB Cc1cc(C)c2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)sc2c1 14670969 UBXKWXBERUIWNL-SNVBAGLBSA-N 324.427 2.286 0 40 DEAB COc1cccc(Cc2nnc(S[C@@H]3CCOC3=O)o2)c1 66257067 YBURWIVUYZIPJY-LLVKDONJSA-N 306.343 2.077 0 40 DEAB O=C(Nc1ncccn1)c1ccc(Cn2cc(Cl)cn2)o1 27982084 WTYLLBKOFABMNA-UHFFFAOYSA-N 303.709 2.220 0 40 DEAB Cc1nc(C)n([C@H](C)CNS(=O)(=O)c2ccc(C)c(C)c2)n1 4988314 DYBPYFLUVOANDU-GFCCVEGCSA-N 322.434 2.051 0 40 DEAB Fc1ccc(-c2nnn(Cc3nnc(-c4ccco4)o3)n2)cc1 7499117 LGADXSQVSMMWEE-UHFFFAOYSA-N 312.264 2.171 0 40 DEAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1 68425183 ZXHHWFKJIXZNGP-KGLIPLIRSA-N 310.357 2.047 0 40 DEAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3cnccn3)CC2)C1(C)C 71794068 VOBNKOBYHHHUFL-ZBFHGGJFSA-N 314.433 2.364 0 40 DEAB CSCC[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)O 9550317 IDKSAWYRKQEVOD-CQSZACIVSA-N 307.415 2.040 0 40 DEAB O=C1[C@H](N2CCC(n3cccc3)CC2)CCN1CC(F)(F)F 71896997 YNYZOZMYLBRGOO-CYBMUJFWSA-N 315.339 2.288 0 40 DEAB Cc1cnn(C2CN([C@@H](C)C(=O)N3CCc4ccccc4C3)C2)c1 71878794 UERNIRDKSBMPBF-HNNXBMFYSA-N 324.428 2.022 0 40 DEAB CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1cccs1)CC2 97198514 UACLAFOEURBFAA-NSHDSACASA-N 304.419 2.137 0 40 DEAB CN(CC[C@H]1CCOC1=O)CC(=O)Nc1ccc(Cl)cc1 79058595 QDPQAYCBHDSLCW-NSHDSACASA-N 310.781 2.164 0 40 DEAB Cc1csc(NC(=O)CCCc2nnc3ccccn23)n1 72402261 FGYZFDVONPXQMV-UHFFFAOYSA-N 301.375 2.456 0 40 DEAB Cc1ccc2cccc(S(=O)(=O)N3CCSCC3)c2n1 84936773 MLJNFPFJQOTXBF-UHFFFAOYSA-N 308.428 2.281 0 40 DEAB Cn1cc(N2CCN(C(=O)c3c(F)cccc3Cl)CC2)cn1 74395014 FZWQOBGSRZWPFX-UHFFFAOYSA-N 322.771 2.175 0 40 DEAB Cc1cccc(OC[C@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 75122385 FTJHTSBQAVEHFT-ZDUSSCGKSA-N 300.358 2.189 0 40 DEAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(C)[nH]c1=O 75118179 UZBKTHFBFHPHHM-UHFFFAOYSA-N 318.348 2.493 0 40 DEAB CN(C(=O)Nc1cccs1)[C@H]1CCC[C@@H]1S(C)(=O)=O 75109260 YDXNNPZVZLIUOT-UWVGGRQHSA-N 302.421 2.178 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)NCCN1CCC[C@@H](C)C1 65396382 CKKJOZZWXLUESJ-CQSZACIVSA-N 306.454 2.488 0 40 DEAB CC(C)c1noc(CCNC(=O)NCCc2cccs2)n1 69039157 LZHGRAJMIRAAGA-UHFFFAOYSA-N 308.407 2.339 0 40 DEAB Cc1ccc(F)c(CC(=O)NC[C@H]2CCO[C@@H]2c2cn[nH]c2)c1 1549659368 SWIYYBGEKMRVRY-PXAZEXFGSA-N 317.364 2.294 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCOc2cccc(Cl)c2)CC1=O 36397940 YQBYETMHRUYIIJ-LBPRGKRZSA-N 324.808 2.092 0 40 DEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2ccn(C)c2)C1 547690810 IMSAPWHTJBIVLH-INIZCTEOSA-N 318.446 2.027 0 40 DEAB CCN(CCN)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391797 DYVKLCUTQDBUJB-QGZVFWFLSA-N 319.449 2.316 0 40 DEAB CO[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2ccnn2C1 306139867 UCXNKOOQEPPMNB-MUBLQREKSA-N 303.387 2.015 0 40 DEAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(O)nn2)cc1 530275717 HRYAKZQMRPYHBL-OAHLLOKOSA-N 312.373 2.226 0 40 DEAB O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CO 77286983 KRSTZDUMPGTWJG-HNNXBMFYSA-N 300.354 2.234 0 40 DEAB in-vitro CCCNS(=O)(=O)c1cc(C(=O)O)ccc1N[C@@H](C)CC 217412297 COPUNUBZNVXIBG-JTQLQIEISA-N 314.407 2.284 0 40 DEAB Cc1cn(CC(=O)NCc2cn(C(C)C)nn2)c2ccccc12 1569634580 SDZULPCJJGKBQJ-UHFFFAOYSA-N 311.389 2.439 0 40 DEAB CCCCCC(=O)NCCS(=O)(=O)N1CCc2ccccc21 32915277 XJRQOFSPPNDULE-UHFFFAOYSA-N 324.446 2.075 0 40 DEAB O=C(Nc1nnc2n1CCCC2)c1c[nH]nc1-c1ccsc1 189041631 OVZPWCKGTPBDPI-UHFFFAOYSA-N 314.374 2.318 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cnn(C)c1C 72336934 FLPSXJJPRBSFRR-GOEBONIOSA-N 322.416 2.341 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)Cc1csc(-c2cccs2)n1 37435209 PXRCDJIVVOUWMN-JTQLQIEISA-N 322.411 2.490 0 40 DEAB CCOC(=O)[C@@H]1CCCN(c2ccc(OC(F)F)cn2)C1 134858425 VRDGJBCCMQMNFX-SNVBAGLBSA-N 300.305 2.463 0 40 DEAB O=C(O)c1cc(Br)cnc1OC1CCOCC1 40447909 KYIYDXUGURRORT-UHFFFAOYSA-N 302.124 2.100 0 40 DEAB O=C(c1cc2c(cc1Br)OCCO2)N1CCCC1 41126597 HFDXYDOZMACYDL-UHFFFAOYSA-N 312.163 2.456 0 40 DEAB CCCCn1c(C)ccc(-c2noc(CCC(=O)O)n2)c1=O 89263166 FZBIQQQFQSOOAP-UHFFFAOYSA-N 305.334 2.024 0 40 DEAB C[C@@H](CNC(=O)CCN1CCCC1=O)Oc1ccc(Cl)cc1 81349375 KWSGCAJEVRRWLK-LBPRGKRZSA-N 324.808 2.236 0 40 DEAB Cc1nnc2n1CCC[C@H]2NCc1ccc(N2CCCC2)nc1 195538753 DWDGCMXACGYABL-OAHLLOKOSA-N 312.421 2.206 0 40 DEAB Cn1cccc1CNC(=O)c1ccc2c(c1)nc(Cl)n2C 222557342 NIBOLLPAHIALKC-UHFFFAOYSA-N 302.765 2.495 0 40 DEAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(CC(=N)N)cc1 225008465 UXDZKFOEOZIXDI-UHFFFAOYSA-N 317.414 2.131 0 40 DEAB CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cncc(Cl)n1 199817837 GNRDHDGDEDOQIT-JTQLQIEISA-N 315.757 2.259 0 40 DEAB Cc1nc(CO[C@@H]2CN(Cc3ccoc3)[C@@H]3COC[C@H]23)cs1 96055876 KWJGEVSSDFGAEN-ARFHVFGLSA-N 320.414 2.461 0 40 DEAB COc1ncc(NC(=O)c2ccccc2Cl)c(N(C)C)n1 96121370 LJYJIJFCNBPDSI-UHFFFAOYSA-N 306.753 2.457 0 40 DEAB CC(C)OC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccn1C)C2 96040521 QYVZWUCHAGWPBR-SJLPKXTDSA-N 320.433 2.461 0 40 DEAB C[C@H](NC(=O)C1(O)CCCC1)c1noc(-c2ccccc2)n1 95450022 OTYJJIROENHVAW-NSHDSACASA-N 301.346 2.219 0 40 DEAB Cc1ccc(CN2CCCn3cnc(COCCO)c3C2)s1 96259963 AUPVJOPWJRAFOL-UHFFFAOYSA-N 321.446 2.168 0 40 DEAB O=C(c1ccco1)N1C[C@@H]2COC[C@]2(COCC2CCC2)C1 96207891 CVTFLWWPNJGQQV-RHSMWYFYSA-N 305.374 2.185 0 40 DEAB CC(C)[C@@H](NC(=O)CNC(=O)c1ccsc1)c1ccccn1 96418687 IHFAZOHKGIIKLI-OAHLLOKOSA-N 317.414 2.386 0 40 DEAB Cc1ccc(C(=O)N2Cc3cncn3[C@H](CN3CCCC3)C2)o1 247901625 IVZAHLZKYHATDR-OAHLLOKOSA-N 314.389 2.077 0 40 DEAB CO[C@H]1CCN(Cc2c(C)nc3sccn23)C[C@@]12CCCO2 257316106 VEDLLMIMEWNXOI-HOCLYGCPSA-N 321.446 2.474 0 40 DEAB COc1ccc([C@H]2CN(Cc3ccnc(C)n3)CCN2C)cc1 257306602 SUZUHDIPQKUCHD-GOSISDBHSA-N 312.417 2.282 0 40 DEAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCCO1 42867839 KJHYLEDYUYOEBR-CYBMUJFWSA-N 301.346 2.320 0 40 DEAB Clc1ccccc1OCCc1cc([C@H]2CNCCO2)n[nH]1 257248666 JESBNHYTAMSFRF-OAHLLOKOSA-N 307.781 2.346 0 40 DEAB O=S(=O)(NCC[C@H](O)c1ccoc1)c1ccccc1Cl 90613093 OWHITYFAWNQLQN-LBPRGKRZSA-N 315.778 2.335 0 40 DEAB O=C(c1cccc2[nH]ccc12)N1CCN(CC(F)(F)F)CC1 385902187 SBOKKNIODPZBLX-UHFFFAOYSA-N 311.307 2.488 0 40 DEAB CC(C)N1C[C@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 585104558 QBOJRBBLZSXJAU-SFHVURJKSA-N 320.408 2.285 0 40 DEAB Cc1ccc(C)c2nc(O)c(CNC[C@@H](O)COC(C)C)cc12 585292960 QFSMNAKGEFLXKX-OAHLLOKOSA-N 318.417 2.433 0 40 DEAB C[C@@H]1c2nnc(COc3ncccc3F)n2CCN1C1CCC1 585097606 NKMWWTJZZMUETN-LLVKDONJSA-N 317.368 2.320 0 40 DEAB CNC(=O)C[C@@H]1CN(Cc2cc(C)ccc2C)Cc2ccnn21 585113109 ZWKPHKDCAPIGCA-QGZVFWFLSA-N 312.417 2.193 0 40 DEAB CC(C)CN1CCC(Cn2nc3c(cc2=O)CCCC3)CC1 585501077 VTFZGENILQMHIR-UHFFFAOYSA-N 303.450 2.490 0 40 DEAB COc1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1OC 16843356 LZOSQMOHFXXLMB-OAHLLOKOSA-N 320.370 2.106 0 40 DEAB CO[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)CC[C@@]12CCCO2 257248464 JDTWIWBMYASEAT-AEFFLSMTSA-N 318.417 2.203 0 40 DEAB CC(C)CC(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 1775985969 LPMLIWNXXHZVBJ-UHFFFAOYSA-N 303.406 2.330 0 40 DEAB O=C(NC[C@H](c1ccoc1)N1CCSCC1)c1ccco1 244986096 JFURMNLHALKLIW-CYBMUJFWSA-N 306.387 2.393 0 40 DEAB Cn1c(=O)c(C(=O)Nc2ccc(F)c(F)c2)cc2cccnc21 5303665 NVRWRBSJVKDTGM-UHFFFAOYSA-N 315.279 2.464 0 40 DEAB CNC(=O)c1ccsc1NC(=O)Cc1ccc2c(c1)OCO2 9521632 GUDOAZJIXYVLNB-UHFFFAOYSA-N 318.354 2.018 0 40 DEAB CCOc1ccccc1-n1ccn(Cc2ccccc2)c(=O)c1=O 22722391 AKDNVTBFKGZLHY-UHFFFAOYSA-N 322.364 2.446 0 40 DEAB Cc1noc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)n1 65286426 KEWABOUPQRAWQW-ZDUSSCGKSA-N 304.350 2.279 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)s1 40215699 OULKHZFSJWQEEY-JTQLQIEISA-N 324.427 2.195 0 40 DEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)cn1)CS2 40462300 YANGKEPFYQYRDF-ZANVPECISA-N 311.794 2.128 0 40 DEAB CCC[C@H](C)NC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 40477689 AIUVQZBPJDKWDY-WCQYABFASA-N 322.405 2.451 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)c1cnn(C(C)(C)C)c1)C2 69842924 GSGUERSJORPADV-UHFFFAOYSA-N 316.409 2.009 0 40 DEAB O=C([C@H](c1ccccc1)C1(O)CCCCC1)N1CCOCC1 1670712 XDPAVXYTAAVGKT-INIZCTEOSA-N 303.402 2.324 0 40 DEAB O=C(Nc1ccc(Cl)nc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 71803713 PPKVPMCIMNFQKN-ZETCQYMHSA-N 321.686 2.084 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)cn1 33119955 ORTBKJDEOQQIOC-LLVKDONJSA-N 311.341 2.212 0 40 DEAB COC(=O)/C=C/c1ccc(OC(=O)OC)c(OC(=O)OC)c1 500671 QEWUDAKCWIEESB-FNORWQNLSA-N 310.258 2.163 0 40 DEAB Fc1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 107226565 YAIUFCVOWDLUER-CJNGLKHVSA-N 318.352 2.054 0 40 DEAB Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H]3C(N)=O)cc1 9132344 RIMVWGBUXUHQJW-JTQLQIEISA-N 301.371 2.219 0 40 DEAB C[C@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2)n1 47144246 CBNCMYJHYPOORD-HNNXBMFYSA-N 312.417 2.477 0 40 DEAB COc1ccccc1C(=O)Cc1nc2ccsc2c(=O)[nH]1 53847865 CNXSOCIQUUUBOL-UHFFFAOYSA-N 300.339 2.419 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@@H]2CN2CCCC2)c1 58356610 DBWDKSXCXQGDIV-MRXNPFEDSA-N 302.418 2.325 0 40 DEAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCCC1 100467030 HPNHNBIPYBQKSL-GPMSIDNRSA-N 321.509 2.393 0 40 DEAB NC(=O)Nc1ccc(CNC(=O)COC2CCCCC2)cc1 56325767 XPROSCMBNKCQRX-UHFFFAOYSA-N 305.378 2.143 0 40 DEAB Cc1noc(C)c1COC(=O)c1cnc2c(c1)c(C)nn2C 24148917 RGZZLBIJYSIUKQ-UHFFFAOYSA-N 300.318 2.239 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)O)CC1 3135709 VCKBZBBAHJLSJZ-QWHCGFSZSA-N 322.792 2.018 0 40 DEAB CONC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 12526342 YESIWHLEOZIDPL-UHFFFAOYSA-N 320.370 2.087 0 40 DEAB CONC(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 58190694 WMFFVSJENNKAMO-UHFFFAOYSA-N 307.268 2.247 0 40 DEAB COC[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 44948539 MGOTWXBJTNUDQI-UONOGXRCSA-N 309.410 2.141 0 40 DEAB CCc1nnsc1C(=O)Nc1ccc(-n2ccnc2C)nc1 44944463 XVISPSFGMAPCAW-UHFFFAOYSA-N 314.374 2.242 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1c1cccs1 44968170 SHKLWKDBKNANEZ-RYUDHWBXSA-N 307.419 2.263 0 40 DEAB CC(C)N1CC[C@H](CNC(=O)c2ccn(-c3ccccc3)n2)C1 58344090 KFCFGYJFAYVEQB-OAHLLOKOSA-N 312.417 2.332 0 40 DEAB O=C(NCCC(=O)N1CCCCCC1)c1ccc2[nH]cnc2c1 58311527 NPTVIONYLZHZPX-UHFFFAOYSA-N 314.389 2.085 0 40 DEAB CC(C)Oc1ccccc1NC(=O)NCC(=O)N1CCCC1 48193694 XRRVIGMYWSITMY-UHFFFAOYSA-N 305.378 2.218 0 40 DEAB C[C@@H](NC(=O)CCC1CCCC1)c1cccc(S(N)(=O)=O)c1 48310487 SZLPGRJNGGNJKM-GFCCVEGCSA-N 324.446 2.482 0 40 DEAB CCN(C(=O)COC(=O)c1ccc(CO)cc1)c1ccccc1 3419346 ALBHLURGUZJPEJ-UHFFFAOYSA-N 313.353 2.389 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)Cc2ccccc2)C1 18222117 IKUAFDCHDBHXGK-GASCZTMLSA-N 323.458 2.496 0 40 DEAB CCc1nnc(NS(=O)(=O)c2cccc(COC)c2)s1 71195364 IXGOJBLSQYATIY-UHFFFAOYSA-N 313.404 2.048 0 40 DEAB Cc1ccc(C)c(NC(=O)CN(C)c2ncnc3c2cnn3C)c1 14210075 ZTSHDFZINFKQJH-UHFFFAOYSA-N 324.388 2.055 0 40 DEAB CCOC(=O)N(C)CC(=O)Nc1cccc(-c2cnco2)c1 67156054 PIQUEDGUOVMRRZ-UHFFFAOYSA-N 303.318 2.368 0 40 DEAB COC(=O)C[C@@H](c1ccc(OC)cc1)c1oc(C)cc(=O)c1O 96116186 XOGZIAGMERPBSH-ZDUSSCGKSA-N 318.325 2.357 0 40 DEAB biogenic CC(=O)c1ccccc1NC(=O)CCNC(=O)c1ccco1 7974201 HRPJNMKYKTVOJU-UHFFFAOYSA-N 300.314 2.241 0 40 DEAB O[C@@H](CNCCn1cccn1)COc1ccc2ccccc2c1 70040860 FVJHCICJYNUAJV-KRWDZBQOSA-N 311.385 2.066 0 40 DEAB C[C@H](NC(=O)c1ccccc1N1CCOCC1)c1ccncc1 69381829 QJUAYDFOTRZZRT-AWEZNQCLSA-N 311.385 2.409 0 40 DEAB CCn1cc(C(=O)NCc2ccccn2)c(=O)c2ccc(C)nc21 8394522 YVCBAVXGBWDBGO-UHFFFAOYSA-N 322.368 2.050 0 40 DEAB COC(=O)CCN1CCC(C(=O)c2cc(F)ccc2F)CC1 69442780 VLFXOELLVFQKJG-UHFFFAOYSA-N 311.328 2.423 0 40 DEAB Cc1ccc([C@H](O)CN2CCN(CCOC(C)C)CC2)c(C)c1 22887497 ZHTDPKTZZQZXTH-LJQANCHMSA-N 320.477 2.379 0 40 DEAB CSc1ncccc1C(=O)Nc1ccc(-n2cnnn2)cc1 9500753 QIEGAWBOIZRDKK-UHFFFAOYSA-N 312.358 2.032 0 40 DEAB CC(C)(C)OC(=O)NCCCC(=O)N=c1[nH]c2ccccc2[nH]1 71804355 IZDOJUVOCKZPSW-UHFFFAOYSA-N 318.377 2.228 0 40 DEAB Cc1cnn(C2CN(Cc3nccn3Cc3ccccc3)C2)c1 72253865 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309.435 2.134 0 40 DEAB COc1ccc(CCNC(=O)c2ccnc(N(C)C)c2)cc1C 19571367 YELWOSDYQWAKRN-UHFFFAOYSA-N 313.401 2.437 0 40 DEAB CC1(C)CCN(Cc2nc(C3CCCC3)no2)CC[S@]1=O 517290697 PMWDHXJVOAQACN-OAQYLSRUSA-N 311.451 2.460 0 40 DEAB Cc1ccccc1[C@@H](C(=O)O)N1CCC[C@H](n2ccnn2)C1 573975545 WFTDVVGWGWBXSR-ZFWWWQNUSA-N 300.362 2.049 0 40 DEAB Cc1nc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cs1 1888853499 OKSJAAUHBJZHSH-OLZOCXBDSA-N 301.415 2.233 0 40 DEAB COc1ccc2nc(C)c(C(=O)N3CCO[C@H](C)C3)cc2c1 29790391 UBTPLDXWHFAABM-LLVKDONJSA-N 300.358 2.413 0 40 DEAB CCS(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1 5137632 PCFFSDJGFLYKOG-UHFFFAOYSA-N 314.407 2.431 0 40 DEAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccccn2)C1 31227156 LUMRJQUZAFJRLM-GFCCVEGCSA-N 313.332 2.208 0 40 DEAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1Cc1ccccc1 101178077 YESRZUNGJBNCHD-ZBFHGGJFSA-N 324.311 2.114 0 40 DEAB O=C(NN1C(=O)CS[C@@H]1c1cccc(F)c1)c1ccncc1 1617808 CBBPXKOLYJNDME-OAHLLOKOSA-N 317.345 2.140 0 40 DEAB 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317.368 2.077 0 40 DEAB CCC(=O)N1CCC[C@@H](C(=O)Nc2ccc3cn[nH]c3c2)C1 67840735 QDTXUMMIOLNFEI-GFCCVEGCSA-N 300.362 2.150 0 40 DEAB C[C@H]1CCCCN1Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 68136993 KZHAINZFXLMNGW-BBRMVZONSA-N 315.417 2.278 0 40 DEAB COc1ccc(CNC(=O)CCCn2c(C)csc2=O)cc1 8132441 UHKSVWFKLJZUJL-UHFFFAOYSA-N 320.414 2.323 0 40 DEAB C[C@@H]1CCCN(C(=O)NCC(=O)N2CCc3ccccc3C2)C1 69414138 OPPZQFFXHWDKHF-CQSZACIVSA-N 315.417 2.013 0 40 DEAB Cc1cccc2[nH]cc(CCNC(=O)C(=O)Nc3cccnc3)c12 71799753 JUTIGNUCIWVVIX-UHFFFAOYSA-N 322.368 2.169 0 40 DEAB CC(C)OC[C@H](O)CN(C)CCOc1cccc(Cl)c1 96967990 RACJWOLYXFXWFL-CQSZACIVSA-N 301.814 2.437 0 40 DEAB C[C@@H](CCNC(=O)NC[C@]1(O)CCSC1)c1ccccc1 96447329 YUAZOHACNLNSHS-XJKSGUPXSA-N 308.447 2.347 0 40 DEAB Cc1nnc([C@@H](C)N2CCCN(C(=O)c3ccsc3)CC2)o1 71819480 FQWDUXWIDZFCQU-LLVKDONJSA-N 320.418 2.349 0 40 DEAB C[C@@H](O)CN1CCN(Cc2ccc(F)c3cccnc23)C[C@H]1C 71864507 BZKVNKBTUICIPW-ZIAGYGMSSA-N 317.408 2.261 0 40 DEAB COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)c1O 71889174 UZHHVCKATOXLJG-OLZOCXBDSA-N 312.325 2.316 0 40 DEAB C[C@@H](CNC(=O)c1cc(Cl)nc(N(C)C)c1)Cn1cccn1 71903793 ZVUDIMGUBJXNKA-NSHDSACASA-N 321.812 2.064 0 40 DEAB COC(=O)[C@@]1(C)CCN(Cc2cn(C)nc2-c2ccccc2)C1 97033984 NCXCCTORCQDBQV-SFHVURJKSA-N 313.401 2.472 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 72235675 VGFGIEJBFUZRAJ-GFCCVEGCSA-N 319.434 2.391 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)no1 72231977 PJGOUSPYPFZYIJ-LLVKDONJSA-N 306.391 2.471 0 40 DEAB Cc1ccc([C@@H](NC(=O)CNCCn2cccn2)C2CC2)cc1 72267779 ZBECTCCWDOWPKT-GOSISDBHSA-N 312.417 2.049 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2C[C@H](C)[C@H](N(C)C)C2)c1 78894524 CFVSJHPZYGKMET-SUMWQHHRSA-N 315.417 2.058 0 40 DEAB O=C1NCCN(C(=O)NC2CCCCC2)[C@H]1c1cccs1 78933178 DBGCNNPLYUNJSM-ZDUSSCGKSA-N 307.419 2.263 0 40 DEAB OCC[C@@H]1CCCCN1c1ccc(CNc2ncccn2)cn1 95394312 MBDJXCSFFXJHEA-HNNXBMFYSA-N 313.405 2.225 0 40 DEAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCc2n[nH]cc2C1 95398688 TVDOZJOOWSSFEB-ZDUSSCGKSA-N 302.422 2.163 0 40 DEAB CC[C@@H](NC[C@H]1CCCn2ccnc21)C(=O)Nc1cc(C)on1 84718747 ROVCGQJFOOAQSK-CHWSQXEVSA-N 317.393 2.064 0 40 DEAB C[C@H](O)[C@H]1CCCCN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 95401460 LWAILVDZLBLOEM-SOUVJXGZSA-N 312.454 2.479 0 40 DEAB CCC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1 95435293 HUDJNXXWBNUKOG-GJZGRUSLSA-N 318.417 2.137 0 40 DEAB CCOc1ccc(NC(=O)[C@@H]2CCc3cn[nH]c3C2)cc1CO 95447811 QGCZDCNRUMFEMD-LLVKDONJSA-N 315.373 2.044 0 40 DEAB CN1CCc2c(NC(=O)N3CCOC[C@H]3C3CC3)cccc21 95976539 PHJCKBUIPPJDSD-INIZCTEOSA-N 301.390 2.322 0 40 DEAB CN(C)CCOc1cccc(CN(C)c2ncc(F)cn2)c1 95972397 FKNZUWVFTZISHH-UHFFFAOYSA-N 304.369 2.193 0 40 DEAB COc1cccc([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)c1 89469839 CVKIECGREAILJB-AWEZNQCLSA-N 320.370 2.399 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C)s1)CC2 89986453 IWCPKDBMGJRZPI-KBPBESRZSA-N 309.431 2.449 0 40 DEAB Cc1csc(=O)n1CC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 29610677 HCEVQRYXONMETC-UWVGGRQHSA-N 322.352 2.456 0 40 DEAB NC(=O)C1CN(C(=O)C2(Cc3cccc(Cl)c3)CCCC2)C1 1548739790 DHUBFGSXUUPCNC-UHFFFAOYSA-N 320.820 2.387 0 40 DEAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(COCCN1)CO2 306145557 IKCCJBLJCJTKJC-MRXNPFEDSA-N 306.362 2.241 0 40 DEAB CCOC(=O)[C@@H](Oc1ccccc1O)[C@@H](O)c1ccccc1 526059776 VGWWYWFXWLRSIU-HOTGVXAUSA-N 302.326 2.436 0 40 DEAB C[C@H]1C[C@@H](NC(=O)CCCn2c(=O)oc3ccccc32)CCO1 539896020 SKZMVYOPFIEETB-STQMWFEESA-N 318.373 2.058 0 40 DEAB CCN1CCN(CCC(=O)N(C)[C@H]2CCc3ccccc32)CC1 79335585 MIMQXSJMIRJIRF-SFHVURJKSA-N 315.461 2.160 0 40 DEAB Cc1ccsc1[C@@H](O)CNC(=O)c1ccc2c(c1)OCO2 70635643 HJDRAWROJKARNN-NSHDSACASA-N 305.355 2.249 0 40 DEAB CC(C)NC(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)O)C2(C)C)cc1 71288493 MVNSCANAADYRSI-CHWSQXEVSA-N 318.373 2.120 0 40 DEAB CCC[C@H](C)NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 9114727 INJSFQNNIPMTER-GETOMWPZSA-N 324.446 2.224 0 40 DEAB CCCCCCNC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 48482372 MJMUETZDHJPQMK-UHFFFAOYSA-N 318.826 2.298 0 40 DEAB CC(=O)N1CCC[C@H]1c1cccc(C(=O)Nc2nccs2)n1 72379323 PNVKQVORBFJKTL-ZDUSSCGKSA-N 316.386 2.474 0 40 DEAB C[C@H]1CC[S@](=O)CCN1C(=O)Cc1nsc2ccccc12 563006525 QSVOSJROMHFDSK-MQJDWESPSA-N 322.455 2.208 0 40 DEAB CCS(=O)(=O)c1ccccc1N[C@@H]1CCc2nc(C)cn2C1 225517639 PXSSPBBHHQKVLP-CYBMUJFWSA-N 319.430 2.412 0 40 DEAB Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2O)cc1Br 225481966 WWNKATAWQFPMNA-OLZOCXBDSA-N 312.207 2.330 0 40 DEAB COCc1ccccc1CNc1cccc(S(N)(=O)=O)c1 88556138 XUKYSSUFTRIIJY-UHFFFAOYSA-N 306.387 2.093 0 40 DEAB O=C(COC(=O)C1(O)CCCC1)N1CCC[C@H]1c1cccs1 61248760 XSXHXZROZBDJHV-LBPRGKRZSA-N 323.414 2.260 0 40 DEAB O=C(/C=C/c1ccco1)NCc1nccc(N2CCCCC2)n1 224161767 WZIBJEFJCLIWLA-VOTSOKGWSA-N 312.373 2.390 0 40 DEAB COC(=O)NCCC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 96413832 NNHSWHCMXVLMOE-GJZGRUSLSA-N 304.390 2.260 0 40 DEAB O=C(NC[C@]1(O)CCSC1)c1csc(-c2ccccc2)n1 96446899 DUBWIKRAAMYXDT-OAHLLOKOSA-N 320.439 2.408 0 40 DEAB CCCCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C 96183084 HCXAUOZNLQOZPA-UHFFFAOYSA-N 324.446 2.409 0 40 DEAB Cc1ccc(C(=O)N2CCCN(C3CCOCC3)CC2)c(O)c1 96415654 JKKQAZCKIUEGAP-UHFFFAOYSA-N 318.417 2.028 0 40 DEAB O=C(c1ccccc1)N1CCC(C(=O)N2CCSC2)CC1 96426242 BQCBXFLZWYHISX-UHFFFAOYSA-N 304.415 2.072 0 40 DEAB O=C1COc2ccccc2N1CCCN[C@@H]1CCCSC1 97370900 IDOJYPLDRQZNLB-CYBMUJFWSA-N 306.431 2.287 0 40 DEAB COc1ccc2cc(C(=O)NC[C@]3(OC)CCSC3)[nH]c2c1 96120684 LVKWOJZTTWRXEA-MRXNPFEDSA-N 320.414 2.428 0 40 DEAB Cc1nccc([C@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n1 257262900 LNNSSLNCHSKQJN-MRXNPFEDSA-N 315.348 2.067 0 40 DEAB O=C(Cc1ccccc1)N1CCOC[C@H](Cc2ccccn2)C1 257305317 SPKBKTVPKGHEIN-QGZVFWFLSA-N 310.397 2.342 0 40 DEAB COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3ccc(F)cc3)n2C1 601044429 NBQCQWFEFXDPHX-MNOVXSKESA-N 319.336 2.293 0 40 DEAB CCCC[C@H](C)C(=O)NS(=O)(=O)c1sccc1OC 252490999 LHXGKZOUXXKEPD-VIFPVBQESA-N 305.421 2.388 0 40 DEAB CC(=O)N1CCC(N2CCC[C@@H]2CCc2ccncc2)CC1 257267198 MGIJYPOLZIZNNS-QGZVFWFLSA-N 301.434 2.490 0 40 DEAB CN(Cc1cnn(C)c1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257326959 WZGIMVJOXPEPKN-SQNIBIBYSA-N 315.417 2.213 0 40 DEAB Cc1nc([C@@H]2CCCN2)ncc1C(=O)NCc1ccc(F)cc1 257321795 WDGNBKNPCBGZAZ-HNNXBMFYSA-N 314.364 2.279 0 40 DEAB COc1nc2cc(I)ccc2cc1N 685937013 HBUHDPHJVBKKHF-UHFFFAOYSA-N 300.099 2.430 0 40 DEAB COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccn(C)n2)n1 58414617 RRUVITLXHNHBJE-UHFFFAOYSA-N 311.345 2.175 0 40 DEAB CCCCCC[C@](C)(NC(=O)c1cccc[n+]1[O-])C(=O)OCC 69900674 KQXQCFKRJFELEW-KRWDZBQOSA-N 322.405 2.342 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)COc3cccnc3)C2)n1 72253270 CZNZJTPOBZZDOF-OAHLLOKOSA-N 314.389 2.137 0 40 DEAB O=C(Cn1ccnc1-c1ccccc1)NCc1cc(C2CC2)[nH]n1 12147223 SBVHLAAAQTXDOG-UHFFFAOYSA-N 321.384 2.467 0 40 DEAB O=C(O)c1cc(NC(=S)NC(=O)C2CCCCC2)ccc1O 226354545 HZWYBMTYFZSZFF-UHFFFAOYSA-N 322.386 2.484 0 40 DEAB O=C(CSCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 253403014 PGZNPSMMZWPWLZ-BZUAXINKSA-N 321.442 2.373 0 40 DEAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cccc(F)c1)C2 1565543144 KPUQLIIGDFIQFX-WMLDXEAASA-N 304.365 2.204 0 40 DEAB Cc1cccc(S(=O)(=O)NCc2cn3ccccc3n2)c1 2961029 SWEXFVWODXXIDZ-UHFFFAOYSA-N 301.371 2.121 0 40 DEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)C(C)(C)C)C1 2055750565 DMJKMVDHULQVID-QGZVFWFLSA-N 321.396 2.001 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)NCc1ccccc1Cl 585149563 GZWPSWDTJHEMNS-WCQYABFASA-N 308.809 2.365 0 40 DEAB COc1ccc([C@H](O)CNC(=O)c2ccsc2)cc1OC 211086794 JOPJARUWKCWPTO-GFCCVEGCSA-N 307.371 2.229 0 40 DEAB c1ccc2c(c1)CN(C[C@@H]1CCCN1)CC1(CCOCC1)O2 72334284 IDCNGZSUHWVPJZ-INIZCTEOSA-N 302.418 2.182 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CCC(C(N)=O)CC1 40480673 PDBVQQRVNJKVRV-FVQBIDKESA-N 324.465 2.188 0 40 DEAB CSCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 40535760 KUMHZNBGWSLQDB-STQMWFEESA-N 323.462 2.065 0 40 DEAB CCO[C@H](C)C(=O)NCc1ccc(NC(=O)NC(C)C)cc1 40525178 DOMBNJBKLUVNRR-GFCCVEGCSA-N 307.394 2.258 0 40 DEAB COc1cc(NC(=O)c2snnc2C)cc(OC)c1OC 32105753 KUPZMWYTYZZVGF-UHFFFAOYSA-N 309.347 2.125 0 40 DEAB CS(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 2641542 DLBAZZHSIFNMKH-UHFFFAOYSA-N 306.391 2.043 0 40 DEAB C[C@H]1CCCN(C(=O)CN2C(=O)[C@H](C)Oc3ccccc32)C1 1361704 SSUJBXNJBOMCRV-STQMWFEESA-N 302.374 2.059 0 40 DEAB Cn1c(=S)c2[nH]c(SCc3ccncc3)nc2n(C)c1=O 1638338 HSSOACXLVAMCIS-UHFFFAOYSA-N 319.415 2.017 0 40 DEAB C[C@@H]1COCCN1C(=O)CCCc1nc(-c2cccs2)no1 75939403 LAPYJVGCSCUJDR-LLVKDONJSA-N 321.402 2.368 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n[nH]1 76060007 QKHMHIRZJRUJQM-CYBMUJFWSA-N 302.378 2.272 0 40 DEAB CCOC(=O)N[C@@H](C(=O)NCCc1ccccc1C)C(C)C 32914172 ZLSDHUYXPLEWTJ-OAHLLOKOSA-N 306.406 2.424 0 40 DEAB COCCCNC(=O)CN(C)Cc1ccccc1C(F)(F)F 53141799 GURUKMNIXGFUCQ-UHFFFAOYSA-N 318.339 2.290 0 40 DEAB Cc1nnc2n1CCN(C(=O)c1cc3c(s1)CC[C@@H](C)C3)C2 69458868 ZBKJGQHXJIOAOA-SNVBAGLBSA-N 316.430 2.429 0 40 DEAB NC(=O)c1ccc(OCc2noc(-c3cccs3)n2)cc1 69457739 DSUCMMQXRXUORT-UHFFFAOYSA-N 301.327 2.476 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)NCCOc2c(C)cccc2C)C1 47024564 ZYXSZQBWGGVJMK-INIZCTEOSA-N 318.417 2.057 0 40 DEAB O=C(N[C@H]1COc2ccccc2C1)N1CCc2ccc(O)cc2C1 47094127 KBPDJXHCJGPMNH-MRXNPFEDSA-N 324.380 2.464 0 40 DEAB Cc1noc(CNc2cc(Cl)ccc2N2CCOCC2)n1 42472296 FMUOGUHEBBCCHO-UHFFFAOYSA-N 308.769 2.480 0 40 DEAB CN(C)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cn1 78556724 SAJXLPIVCNGMNN-UHFFFAOYSA-N 313.329 2.227 0 40 DEAB COc1cccc([C@H]2CCCN2C(=O)NCCn2ccnc2)c1 43310468 BYGLGDPUIXDDAO-MRXNPFEDSA-N 314.389 2.438 0 40 DEAB O=c1cc(CNc2cccc3c2OCCO3)nc2ccccn12 55893723 YOEGUEYLKQRMLF-UHFFFAOYSA-N 309.325 2.078 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)N[C@@H]1CCOc2ccccc21 47867973 GJAIGPDBTJWQEC-TZMCWYRMSA-N 300.362 2.095 0 40 DEAB C[C@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccn1 26186097 KCLIMHHDWFYFRQ-QWHCGFSZSA-N 313.357 2.282 0 40 DEAB CCc1ccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[nH]2)cc1 57523581 YQAQDCUWTRKIOS-OAHLLOKOSA-N 322.372 2.122 0 40 DEAB Nc1nn(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c2ccccc12 57963932 HHARFGYZHFDAEM-NSHDSACASA-N 312.373 2.050 0 40 DEAB O=C(NCCc1ccccc1)NC1CCN(CC(F)F)CC1 57987425 SWOBFCOGTXGHQH-UHFFFAOYSA-N 311.376 2.258 0 40 DEAB CCN(CC)CCn1cc(NC(=O)c2cccnc2S)cn1 58158091 POWSJKYPRNSNDW-UHFFFAOYSA-N 319.434 2.161 0 40 DEAB Nc1c(C(=O)Nc2cc(F)ccc2F)nnn1-c1ccccc1 10273020 ODXPRUBOWWMIOT-UHFFFAOYSA-N 315.283 2.380 0 40 DEAB CCOc1ncccc1C(=O)NCCCc1nc(C(C)C)no1 58282734 SKJUZEPZWZXETC-UHFFFAOYSA-N 318.377 2.349 0 40 DEAB CCCNC(=O)CCNC(=O)C1(c2ccc(F)cc2)CCC1 58225265 ZDCXUMCPRKUPGP-UHFFFAOYSA-N 306.381 2.280 0 40 DEAB Cc1csc(CNC(=O)NC[C@@H](c2ccco2)N(C)C)n1 44949288 QVGKQCUBRSGRPT-NSHDSACASA-N 308.407 2.147 0 40 DEAB O=C1COc2cc(NC(=O)Nc3cc[nH]n3)c(Cl)cc2N1 58377721 BZHKGVZDOWRGJZ-UHFFFAOYSA-N 307.697 2.038 0 40 DEAB Cn1nccc1C1CCN(Cc2nnc(-c3ccco3)o2)CC1 58331380 BBZOERPUBFVHFL-UHFFFAOYSA-N 313.361 2.443 0 40 DEAB O=C(CNc1ccc(F)cc1OCCO)NC1CCCCCC1 58305189 JSOAKXJRTZJQMT-UHFFFAOYSA-N 324.396 2.448 0 40 DEAB CNc1snc(C)c1C(=O)NC[C@H]1COc2ccccc2C1 28076350 KELFTOLWZXDMCG-NSHDSACASA-N 317.414 2.474 0 40 DEAB COc1ccc2c(c1)c1ncn(C[C@@H]3CCCO3)c(=O)c1n2C 2215928 QRSBLMGDOSDADE-LBPRGKRZSA-N 313.357 2.076 0 40 DEAB COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)n(C)c2C)c1 48303338 NZYYDCVDKCHDSF-UHFFFAOYSA-N 316.357 2.011 0 40 DEAB CCOC(=O)COc1ccc2nc3n(c(=O)c2c1)CCCCC3 12899303 IXBXBOOOIKONGW-UHFFFAOYSA-N 316.357 2.065 0 40 DEAB biogenic CC(=O)N(CCC(=O)NCc1nccs1)Cc1ccccc1 69582562 KSZNARPUAGUDKU-UHFFFAOYSA-N 317.414 2.198 0 40 DEAB CCCCNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 3609893 MUVHRFNDWDZLPU-UHFFFAOYSA-N 312.435 2.247 0 40 DEAB C[C@@H]1CO[C@H](CO)CN1Cc1cccc(OC(F)(F)F)c1 92042413 HUUUNBRLADRJPD-MFKMUULPSA-N 305.296 2.167 0 40 DEAB COc1ccccc1NCN1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 18099225 XLEQIBZARZRKQY-YNEHKIRRSA-N 302.374 2.486 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 39351851 AVCAAQIORRKXMZ-TZMCWYRMSA-N 316.357 2.150 0 40 DEAB COc1cccc(-c2noc([C@H]3[C@H]4C(=O)O[C@@H]5C[C@H]3C[C@H]45)n2)c1 4770860 LSGYKSWFIALHGC-WJUUCBRBSA-N 312.325 2.410 0 40 DEAB Cc1nc(C)c(C(=O)OCN2C(=O)c3ccccc3C2=O)s1 6788139 PLPXVOIOSRIXFT-UHFFFAOYSA-N 316.338 2.170 0 40 DEAB O=C(COc1ccc(-c2ccccc2)cc1)N[C@@H]1CCOC1=O 6844249 RCCTXPOJRLEYNM-MRXNPFEDSA-N 311.337 2.164 0 40 DEAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)O)cs1 15243143 XQDGFRAMGYJMOI-UHFFFAOYSA-N 313.356 2.256 0 40 DEAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCCC1 22587070 HPNHNBIPYBQKSL-FRQCXROJSA-N 321.509 2.393 0 40 DEAB O=C(NN1C(=O)CCCC1=O)c1ccc(Cl)c(Cl)c1 408642436 DVRAISWQZQZGGG-UHFFFAOYSA-N 301.129 2.177 0 40 DEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCN(CC2CC2)CC1 71821351 LZKHAQGGNPOOMO-UHFFFAOYSA-N 324.428 2.099 0 40 DEAB CN(Cc1nc(N)c2ccccc2n1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 97083816 RNKQLENKNODXPN-WQVCFCJDSA-N 312.417 2.457 0 40 DEAB CC(C)c1nc(C(=O)N2CCC(n3ccnn3)CC2)cs1 97032054 MTHFYHWEQTUQOU-UHFFFAOYSA-N 305.407 2.335 0 40 DEAB C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cscn1 78828433 NCRNUCOLUUYCGG-ZDUSSCGKSA-N 301.415 2.490 0 40 DEAB O=C1NCCN(C(=O)c2ccccn2)[C@@H]1c1ccccc1Cl 97106887 BGSRIAJITJIATC-CQSZACIVSA-N 315.760 2.048 0 40 DEAB CC(C)(C)[C@@H](NCCc1cccc(Br)c1)C(N)=O 97162404 BEPJNRZAAOGTDL-LBPRGKRZSA-N 313.239 2.481 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(-c2cnco2)cc1 97197943 RIKHXTNCXXOWIS-AWEZNQCLSA-N 308.341 2.283 0 40 DEAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]1c1noc(C2CC2)n1 84451944 UKLOMYYRKUCGBT-ZDUSSCGKSA-N 324.344 2.196 0 40 DEAB CCS[C@@H]1CC[C@]1(O)CNC(=O)c1c(F)cc(F)cc1F 79001160 WDFDQTCFNIMMPT-RISCZKNCSA-N 319.348 2.480 0 40 DEAB O=C(NCCc1nnc2ccccn12)[C@@H]1C[C@@H]1c1ccccc1 84525423 RFKDOXFHJNBQJG-HUUCEWRRSA-N 306.369 2.192 0 40 DEAB Cc1noc(-c2cccnc2N2CCC[C@@H](C3OCCO3)C2)n1 95403172 CQSSGNGCDXEQQA-GFCCVEGCSA-N 316.361 2.029 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCN([C@@H]2CCCSC2)CC1 95457036 WXSSCSRPMZSDCY-GFCCVEGCSA-N 313.854 2.322 0 40 DEAB CCO[C@H](C)C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 84800572 UTMDQBBLXFZTOU-VXGBXAGGSA-N 301.383 2.354 0 40 DEAB O=C([C@@H]1CCCN1c1nccs1)N1CCO[C@H]2CCCC[C@@H]21 79312385 GEROXVLTIXOLGT-IHRRRGAJSA-N 321.446 2.282 0 40 DEAB Cc1n[nH]c(SCC(=O)N[C@@H](c2ccncc2)C(C)C)n1 73673663 WSTQSHDKIIPWCI-CYBMUJFWSA-N 305.407 2.114 0 40 DEAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1cc(Cl)ccc1Cl 62712152 RSNZJGBIXOOBDU-UWVGGRQHSA-N 320.197 2.221 0 40 DEAB CC[C@H]1CCCCCN1C(=O)NCC(=O)N(C)CC(F)(F)F 74567405 WXFYLVRVOXVGJT-NSHDSACASA-N 323.359 2.371 0 40 DEAB CC(C)COc1cncc(NCC2(N(C)C)CCOCC2)n1 86184052 MJHGHYQTYGAMAN-UHFFFAOYSA-N 308.426 2.034 0 40 DEAB Cn1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)n1 9944192 CBBFVHBTWHHRQZ-UHFFFAOYSA-N 319.796 2.428 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C[C@H]3C)c12 89567417 FWAFCARFJFSCSX-SNVBAGLBSA-N 314.389 2.185 0 40 DEAB CC[C@@H](c1ccncc1)N(CC)C(=O)[C@H]1CCN(C)C(=O)C1 75143955 XUKJPZYIAZEIKY-GJZGRUSLSA-N 303.406 2.250 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1C 408611555 XLRZKWVADUTRON-UHFFFAOYSA-N 312.435 2.069 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc(Cl)c2N)C1 38579965 ZBTGYEWRDOFBRR-MRVPVSSYSA-N 313.789 2.134 0 40 DEAB CC(C)N1CCC[C@H](CNC(=O)c2cccc3oc(O)nc23)C1 557574541 HRHNIMDCQIJUQJ-GFCCVEGCSA-N 317.389 2.384 0 40 DEAB COC[C@H](C)n1ccc(NC(=O)N[C@@H](C)c2ccccn2)n1 189930360 SRJONSMXACOHAI-RYUDHWBXSA-N 303.366 2.368 0 40 DEAB CC(=O)N1CCCC[C@@H]1c1cc(Nc2cnccn2)nc(C)n1 72382669 VVVRRTLJMWMTFA-CQSZACIVSA-N 312.377 2.392 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NC[C@](C)(O)c1ccsc1 77532022 QHYULBPEBORFPS-ABAIWWIYSA-N 308.403 2.479 0 40 DEAB CC(C)(C)c1nc(CN2CC[C@@]3(CCCO3)CCC2=O)no1 72151941 BWGTUTOBJVTTJG-MRXNPFEDSA-N 307.394 2.429 0 40 DEAB c1cncc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)c1 72322038 HLPRHOWJKWOWQB-INIZCTEOSA-N 314.389 2.024 0 40 DEAB biogenic,in-vitro C[C@@H](C(=O)NCc1cccs1)N1CCC[C@H](c2ccn[nH]2)C1 72270648 DKPKPEGAITZBFL-STQMWFEESA-N 318.446 2.356 0 40 DEAB COc1ccc2cc(C(=O)NCCCOC(C)C)c(=O)oc2c1 226043278 RQSQTJXBXTVVNX-UHFFFAOYSA-N 319.357 2.347 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1S(=O)(=O)c1cccnc1 81075390 CWNYDNXCKHGIEO-ZDUSSCGKSA-N 317.414 2.111 0 40 DEAB C[C@@]1(C(=O)NCc2ccccc2F)Oc2ccccc2NC1=O 40776388 ZTBBMGMKADLFMA-KRWDZBQOSA-N 314.316 2.232 0 40 DEAB Cc1nccc(NC[C@@H]2C[C@H](C)N(C(=O)c3ccccn3)C2)n1 1068275141 GDRPPQLXWZXXRX-JSGCOSHPSA-N 311.389 2.143 0 40 DEAB COC(=O)N1CCc2ccccc2[C@@H]1C(=O)NCC(F)(F)F 75165749 KDKVZAWYKITVCK-LLVKDONJSA-N 316.279 2.031 0 40 DEAB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1 222873342 RKFYYGVMVHHOIV-INIZCTEOSA-N 324.424 2.435 0 40 DEAB COc1ccccc1O[C@H](C)CNC(=O)[C@H](C)n1ccnc1 81098907 QBZAEHACKFRWAP-OLZOCXBDSA-N 303.362 2.036 0 40 DEAB CC(C)(C)NC(=O)N1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 96490131 XVSMEJVYCSDLCL-CYBMUJFWSA-N 307.438 2.431 0 40 DEAB CCCS(=O)(=O)Nc1cnn(-c2ncccc2Cl)c1 96494518 DLABXNCDSFTMRW-UHFFFAOYSA-N 300.771 2.072 0 40 DEAB O=C(CC1CC1)N1CC[C@H]2OCC[C@@]2(COc2ccccn2)C1 96110426 QYNCBDHRTHOSEC-QAPCUYQASA-N 316.401 2.268 0 40 DEAB c1ccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96158248 BWBWHHHLUAEFKC-SFHVURJKSA-N 309.417 2.364 0 40 DEAB CCCS(=O)(=O)NC[C@H](O)c1c(Cl)cccc1Cl 96419805 BGSDWYWNHCHUEE-JTQLQIEISA-N 312.218 2.356 0 40 DEAB CSCC[C@H](Nc1nc(C)cc(C)n1)C(=O)NCC(C)C 95472697 LCMKYNYUHZXJQD-ZDUSSCGKSA-N 310.467 2.399 0 40 DEAB Cn1ncc2c1[C@@H](COCC1CC1)CN(Cc1cccnc1)C2 96060114 UHQPWMYNWQVLBV-QGZVFWFLSA-N 312.417 2.341 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@H]2c2cc(NC)nc(C)n2)no1 257327754 XCOGUDWWEHXKGF-CQSZACIVSA-N 315.377 2.354 0 40 DEAB CC(C)N1CCC(c2cnc(N3C(=O)OC[C@H]3C)cn2)CC1 257336448 YOLVNPPEPPFCAL-GFCCVEGCSA-N 304.394 2.410 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 257234970 GVVFQDYSDMOPCS-CYBMUJFWSA-N 305.403 2.312 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2ccc(F)cc2)n1 257313279 URQHOQHZASBPGB-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB COc1ccc([C@@H]2CNCCN2C(=O)Cc2cccs2)cc1 257296661 RDTSTVXEVFMUFR-INIZCTEOSA-N 316.426 2.472 0 40 DEAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@@H]2C(=O)N(C)C)C1 585103152 RXKSZONKCOAOFC-CXAGYDPISA-N 319.405 2.012 0 40 DEAB O=C(NCc1ccc(Br)s1)NC[C@@H]1CCCO1 47594000 UZZNCYDFKSMUFA-QMMMGPOBSA-N 319.224 2.489 0 40 DEAB CCN(CC(=O)Nc1ccc(-n2cncn2)nc1)c1ccccc1 53797637 HVFGKHFOJOARIT-UHFFFAOYSA-N 322.372 2.127 0 40 DEAB O=C(NCc1ccccc1N1CCOCC1)[C@H]1CC=CCC1 58279608 YUSNQHRMMHGFRN-HNNXBMFYSA-N 300.402 2.496 0 40 DEAB Cn1cc(CCNC(=O)C(=O)c2ccc(C(C)(C)C)cc2)cn1 58192546 SEOFFOJTWPFOEA-UHFFFAOYSA-N 313.401 2.259 0 40 DEAB CCn1nc(C)c(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1C 69489775 YKQNUHLLBGXBJD-CABCVRRESA-N 304.438 2.219 0 40 DEAB Cn1nncc1CN(CCCO)[C@@H]1CCCc2ccccc21 93741242 SSSFAUVMHFAWAY-QGZVFWFLSA-N 300.406 2.077 0 40 DEAB CN(C)c1cccc(C(=O)NCC2CCC3(CC2)OCCO3)c1 81795197 NKJKETRUAXRBBP-UHFFFAOYSA-N 318.417 2.416 0 40 DEAB Cc1nn(CC(=O)O)c2nc(-c3cnn(C)c3)cc(C(F)F)c12 12395300 WEYXLOSSDGDZCH-UHFFFAOYSA-N 321.287 2.162 0 40 DEAB CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)[C@H](C(=O)OC)[C@@H](C)C2 12868074 IOZDSNZITSUTKA-YGOYTEALSA-N 321.373 2.443 0 40 DEAB C[C@H]1NC(=S)N(Cc2ccc(CN3CCCCC3)cc2)C1=O 14114311 WXZLWJFWRSVFJA-CYBMUJFWSA-N 317.458 2.278 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)c1 169354856 HQEHIMYMQAMNDY-FIXIBIHLSA-N 311.337 2.175 0 40 DEAB CC(C)(C)c1nc(CN2CCN(CCC(=O)O)CC2)cs1 35687152 ZVQYDVJBGMDKPF-UHFFFAOYSA-N 311.451 2.033 0 40 DEAB CC(C)N1C[C@]2(CCN(Cc3cccc(F)c3)C2)COCC1=O 2037980919 NBWBZPIZKLKODL-GOSISDBHSA-N 320.408 2.285 0 40 DEAB O=C(/C=C/c1cccs1)N1CCCN([C@H]2CCOC2)CC1 1565523096 GJLFGGZUMPBPPK-NNTXTVRGSA-N 306.431 2.085 0 40 DEAB CCCNc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)OCC 9166396 FUKBBNYXYITUIK-UHFFFAOYSA-N 319.336 2.370 0 40 DEAB COc1ncccc1C(=O)N[C@@H]1CCN(Cc2ccsc2)C1 618256991 NXGPSZFZBJMSBB-CYBMUJFWSA-N 317.414 2.156 0 40 DEAB CCOC(=O)N[C@](Oc1ccccc1)(C(=O)OC)C(F)(F)F 2306032 KRRNAGZLSAMUNI-LBPRGKRZSA-N 321.251 2.243 0 40 DEAB COCCSCC(=O)Nc1cc2c(cc1Cl)OCO2 32816414 STESGKUFZDIGAN-UHFFFAOYSA-N 303.767 2.387 0 40 DEAB COc1ccc(C(=O)COC(=O)c2cc(C)on2)cc1OC 6560918 YJJFSTLFCQAIKT-UHFFFAOYSA-N 305.286 2.040 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C)c1 6731666 FVHAIUSNNBRTSN-PKIAMQTDSA-N 301.342 2.465 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 7804057 UBPZWFFMXBAWOC-CYBMUJFWSA-N 324.446 2.245 0 40 DEAB COc1ccc(NCc2ccc(OCC(N)=O)c(OC)c2)cc1 59680617 WCMGTXFFIVJDPG-UHFFFAOYSA-N 316.357 2.180 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 52765838 FIZIBBJNRJVKRA-DOMZBBRYSA-N 313.357 2.335 0 40 DEAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(O)cc2O)CCC[C@H]1C 103136414 RFYORTMJCRUQQO-SUNKGSAMSA-N 321.373 2.196 0 40 DEAB C[C@H](c1ccccc1)[C@H](CO)Nc1cc(-n2ccnc2)ncn1 76019619 YACAEEDPLNIPTA-HIFRSBDPSA-N 309.373 2.239 0 40 DEAB CCOCCN1CCC(C(=O)NCc2ccc(F)cc2)CC1 76021009 MKBUFFLWVJGTJI-UHFFFAOYSA-N 308.397 2.190 0 40 DEAB Cc1cc(C(=O)N2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C)o1 101404437 MZHZXQZDOOYFCI-ZIAGYGMSSA-N 312.369 2.318 0 40 DEAB COc1cc([C@@H]2NCC[C@@]23C(=O)Nc2ccccc23)ccc1O 62001507 AIOSPJIQOLXBIF-WMZOPIPTSA-N 310.353 2.325 0 40 DEAB biogenic CC(C)N(C(=O)CN1CCN(c2ccccc2)CC1)C(C)C 57711301 OAZUAVRJULNOBP-UHFFFAOYSA-N 303.450 2.454 0 40 DEAB Cc1ccc(-c2nnn(C[C@@H](O)COCc3ccccc3)n2)cc1 25236042 GEYHFFBVDKTQRP-QGZVFWFLSA-N 324.384 2.226 0 40 DEAB O=C(NC1CC1)C1CCN(Cc2nc3cc(F)ccc3o2)CC1 79092943 IDSSVPRZTGDOSX-UHFFFAOYSA-N 317.364 2.458 0 40 DEAB Cc1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)on1 48286263 HQIILCDDSORCPM-CQSZACIVSA-N 313.357 2.077 0 40 DEAB Cc1cccn2c(=O)cc(CN(C[C@@H]3CCOC3)C3CC3)nc12 48250972 QUYYINHMNLHYNC-AWEZNQCLSA-N 313.401 2.004 0 40 DEAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cc(C)on2)c(C)c1 44948051 FPUXCFMOKFPMGQ-UHFFFAOYSA-N 308.359 2.012 0 40 DEAB O=C(CNC(=O)NCc1ccccc1)Nc1cc(F)cc(F)c1 10666388 ZXAQDBUHUXHCSN-UHFFFAOYSA-N 319.311 2.403 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2ccccc2OC(C)C)CC1 48374766 ULZUGJXOIZLMJN-UHFFFAOYSA-N 305.378 2.170 0 40 DEAB Cc1noc(-c2ccc(C(=O)N[C@H](C)[C@H]3CCCO3)cc2)n1 27894184 CBYUMZSPAMJPHS-QMTHXVAHSA-N 301.346 2.342 0 40 DEAB COC(=O)c1ccc(OC(=O)COc2ccc(OC)cc2)cc1 3560781 OWQJJABGMKUZRR-UHFFFAOYSA-N 316.309 2.466 0 40 DEAB O=C(CCc1nc(-c2cccs2)no1)N1CCSCC1 49213491 FPYCZSACLLWIOO-UHFFFAOYSA-N 309.416 2.306 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nnc(N)s2)[C@@H]1C 4164786 BDHKICHWIZQXSL-IWSPIJDZSA-N 300.453 2.153 0 40 DEAB O=C1OCC[C@@H]1Sc1nnc2c(Cl)cc(Cl)cn12 6099505 JHTLDOLSCBLFFZ-ZETCQYMHSA-N 304.158 2.444 0 40 DEAB Cc1ccn(-c2cccc(C(=O)N[C@@H]3CCc4nccn4C3)c2)n1 65474363 BAXZZXIPDIYCOO-OAHLLOKOSA-N 321.384 2.122 0 40 DEAB CCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)cc1 5505157 YQDZSXGDILANKC-AWEZNQCLSA-N 320.414 2.441 0 40 DEAB Cc1cc(C)cc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)c1 9096486 FDCLDAHVASOPRA-OAHLLOKOSA-N 323.396 2.368 0 40 DEAB Cc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)nc(C(C)C)n1 9050414 VIGQSUCHFRWZEJ-TZMCWYRMSA-N 302.422 2.213 0 40 DEAB CC(C)(C)OC(=O)N1CCOC[C@@]12COc1ccc(N)cc12 306145918 VXFIIHNOVKYEFH-INIZCTEOSA-N 306.362 2.124 0 40 DEAB O=C(c1ccnc(-n2ccnc2)c1)N1CCO[C@H]2CCCC[C@H]21 71821243 LHFXGYYCUGGAAM-CABCVRRESA-N 312.373 2.051 0 40 DEAB Cc1cccc(-n2nnnc2SCC(=O)N(C)C(C)C)c1C 7987903 BUKMLGLQIQIUEQ-UHFFFAOYSA-N 319.434 2.238 0 40 DEAB O=C(CN1CCCc2sccc2C1)NCc1cccnc1 71897111 PDWMMZLMPBNNEW-UHFFFAOYSA-N 301.415 2.208 0 40 DEAB COc1ccc(C2(C(=O)NCCCC(N)=O)CCCCC2)cc1 71839155 XWBKCECDCWTCTC-UHFFFAOYSA-N 318.417 2.279 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cc(F)ccc1OC)c1ccccc1 72053242 LNDNALMVXBVCLS-HNNXBMFYSA-N 317.316 2.478 0 40 DEAB C[C@@H](c1cccnc1)N1CCN(C(=O)c2cccc(O)c2)CC1 97010895 RFRGHZMVFVASJQ-AWEZNQCLSA-N 311.385 2.306 0 40 DEAB COC(=O)[C@@H](NC(=O)Cn1cccn1)c1ccc2ccccc2c1 97084812 BKFFDZQCMVETKX-KRWDZBQOSA-N 323.352 2.067 0 40 DEAB Clc1ccccc1-c1nnc(CNCCn2cccn2)o1 72267812 MSIURMBHVYQKFM-UHFFFAOYSA-N 303.753 2.376 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)NCC(C)(C)c1ccc(F)cc1 72270911 OOVDPBUGBFPQBQ-GFCCVEGCSA-N 319.384 2.083 0 40 DEAB Cc1ccccc1CS(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1O 84243987 KPCHXQTVZPIJBR-IAGOWNOFSA-N 317.410 2.073 0 40 DEAB CC[C@H](NC(=O)c1c(F)cccc1Br)C(=O)OC 84370593 UAZNIHPUSJLMCX-VIFPVBQESA-N 318.142 2.270 0 40 DEAB Cc1ncccc1C(=O)N1CCC(OC[C@H]2CCOC2)CC1 97372539 HCJKGUQKOJRISQ-AWEZNQCLSA-N 304.390 2.048 0 40 DEAB CC[C@@H](NC(=O)NCC(C)(C)N1CCCCC1)c1noc(C)n1 84734869 JXARJVMEXXNSFY-CYBMUJFWSA-N 323.441 2.393 0 40 DEAB CCN(C)C(=O)[C@H]1CSCN1C(=O)c1cccc2cc[nH]c12 95403493 AIQOOAMYSMMXSH-CYBMUJFWSA-N 317.414 2.161 0 40 DEAB O=S(=O)(CCCF)N1CCC[C@H](Oc2ccccc2)C1 95408806 KQLOFLZXCDDZJY-AWEZNQCLSA-N 301.383 2.219 0 40 DEAB CC[C@@H]1CN(C(=O)c2n[nH]c(O)n2)CC[C@@H]1c1ccccc1 74828122 FCCWPBOUOBHFNP-YPMHNXCESA-N 300.362 2.166 0 40 DEAB O=C(c1cc[nH]n1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 89369464 RPVOBOPHMLOYAM-CYBMUJFWSA-N 323.299 2.225 0 40 DEAB COCCN(C)[C@@H](C(=O)OC)c1ccc(Br)cc1 75140762 GJZBOIGBWCEIJP-GFCCVEGCSA-N 316.195 2.241 0 40 DEAB CC(C)(C)n1cc(CNC[C@@H]2CCCN2c2cccnn2)cn1 75132750 FEQVWXVBNPVVSS-HNNXBMFYSA-N 314.437 2.187 0 40 DEAB O=C(c1cnccn1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89625838 BXFSJMKJIRRABU-CYBMUJFWSA-N 303.749 2.424 0 40 DEAB O=S(=O)(CC[C@@H]1CCCO1)NCCc1ccccc1Cl 89813901 FWKYUDLEAHBANJ-ZDUSSCGKSA-N 317.838 2.371 0 40 DEAB Cc1sc2ccccc2[n+]1CC[C@@H](C)OS(=O)(=O)O 22112440 KMADONQTCDRTFG-SECBINFHSA-O 302.397 2.095 0 40 DEAB NS(=O)(=O)c1cc(Br)c2cccc3c2c1CC3 41105680 RNZWOCCPWDGWIW-UHFFFAOYSA-N 312.188 2.348 0 40 DEAB CC(C)CNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1295564 NCRNATJFLDFNFD-UHFFFAOYSA-N 300.358 2.039 0 40 DEAB biogenic CC(C)Cc1ccccc1CNC(=O)NC[C@@H]1CN(C)CCO1 527727380 OBAMXJWWYYFIMM-QGZVFWFLSA-N 319.449 2.015 0 40 DEAB COCCN1CCC2(CC1)CN(CC1CC1)Cc1cccnc12 306134634 NTWCQEPXCWUYRJ-UHFFFAOYSA-N 315.461 2.287 0 40 DEAB CO[C@@H]1CN[C@@H](C(=O)NCC2(Cc3ccccc3)CCCC2)C1 189327494 ZQPNDUIWBGLDCY-DLBZAZTESA-N 316.445 2.283 0 40 DEAB Cc1nccn1C[C@H](C)CNC(=O)c1nc2c(s1)CCC2 561074335 DKRGIFLQBKAAPD-SNVBAGLBSA-N 304.419 2.203 0 40 DEAB COc1ccc([C@@H]2[C@@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218099005 DRJFCBRDSOLEIA-ZACQAIPSSA-N 318.394 2.243 0 40 DEAB Cc1nnc(CCNC(=O)c2cccc3c2ccn3C)s1 564540760 JROCWAGRHCHERU-UHFFFAOYSA-N 300.387 2.311 0 40 DEAB CC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCc1ccco1 222899660 ANSCNMCKXITVBV-LBPRGKRZSA-N 318.348 2.472 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccccc2CC)c1=O 225967014 CUBBDLKFPDGWIR-UHFFFAOYSA-N 314.341 2.174 0 40 DEAB CN(C(=O)C[C@@H]1CCOc2ccccc21)C1CCS(=O)CC1 81833273 CARTVMSKAGSOOY-QSLFRCLVSA-N 321.442 2.312 0 40 DEAB Cc1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)n1 96476295 SXYQSIDPLBNECB-CQSZACIVSA-N 302.305 2.475 0 40 DEAB CC(C)CC[C@@H]1CCCCN1C(=O)N[C@@H](C)CS(C)(=O)=O 96474206 NBWGXCNMSVTCEG-KBPBESRZSA-N 318.483 2.420 0 40 DEAB c1cnc(N2CCN(c3ccc(-c4cccs4)nn3)CC2)nc1 91301840 RIZVOKCPNWSHQI-UHFFFAOYSA-N 324.413 2.322 0 40 DEAB CCOCc1cnc2n1CCN(C(=O)c1cscn1)[C@@H]2C 96109662 FGKDQYLDENLUMZ-SNVBAGLBSA-N 306.391 2.093 0 40 DEAB O=C(c1ccco1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158261 YYHOKJXVWDRIQJ-QGZVFWFLSA-N 312.373 2.202 0 40 DEAB C[C@@H](NC(=O)C1(N(C)C)CCC1)c1noc(-c2ccccc2)n1 96487166 WZPOMZFSPBWULQ-GFCCVEGCSA-N 314.389 2.398 0 40 DEAB O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccncc1 96462300 VIGHVTQSRKYHPM-QGZVFWFLSA-N 323.396 2.045 0 40 DEAB CCOC[C@H]1COCCC12CCN(C(=O)c1cscn1)CC2 96106399 BQPGRQSGNNSGGH-ZDUSSCGKSA-N 324.446 2.439 0 40 DEAB C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCCNC(=O)C1CCCC1 96407209 BRZKPIUSQYAFTP-IJEWVQPXSA-N 324.465 2.393 0 40 DEAB O=C(NCc1ccccc1CN1CC[C@H](O)C1)C1CCCC1 97237890 APVYXLYMRCCMHZ-KRWDZBQOSA-N 302.418 2.060 0 40 DEAB Cc1occc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 248048523 WDNOJBOAEFMYKA-OAHLLOKOSA-N 315.373 2.236 0 40 DEAB COCc1cncc2c1CCN(C(=O)Cc1ccsc1)C2 247829252 GYQJLQFRRNSOFW-UHFFFAOYSA-N 302.399 2.417 0 40 DEAB Cc1nccc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257301398 RYHMGWVIIOCBGL-OZSKJFCKSA-N 309.369 2.398 0 40 DEAB NC(=O)[C@]1(c2cnccn2)CCCN1Cc1ccc(Cl)cc1 257324983 WQZUICUKMVNFGC-MRXNPFEDSA-N 316.792 2.107 0 40 DEAB Cc1nccc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257281078 ONMRQXYGCOTWCS-KRWDZBQOSA-N 323.400 2.245 0 40 DEAB COc1ccccc1[C@H]1CN(C(=O)c2cncs2)CCN1C 257256835 KNBOQKJIKRZZRU-CYBMUJFWSA-N 317.414 2.281 0 40 DEAB CN(C)Cc1cn(-c2ccccc2C(=O)NCc2ccco2)cn1 257292588 QMFDHLDQXUJNIO-UHFFFAOYSA-N 324.384 2.457 0 40 DEAB CCc1nc(Cc2nc(C3(OC)CCOCC3)no2)cs1 278241316 QPYLKRLWCZSWFF-UHFFFAOYSA-N 309.391 2.331 0 40 DEAB Cc1ncc(CN2CCN([C@H](CC(C)C)C(=O)O)CC2)s1 629487376 DKZWPTAHGYAFKL-CQSZACIVSA-N 311.451 2.068 0 40 DEAB CO[C@H](C)CS(=O)(=O)NC1(Cc2cccc(F)c2)CCC1 282447325 HDALIABQOCQGJH-GFCCVEGCSA-N 315.410 2.245 0 40 DEAB O=C(N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)C1CCOCC1 585124071 HZIFHWYOTQLYSX-AWEZNQCLSA-N 303.337 2.181 0 40 DEAB Cc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 42382788 WRKGJFPHSGEXII-INIZCTEOSA-N 300.402 2.260 0 40 DEAB CCc1nnc2n1CCN(Cc1nc3ccccc3nc1C)C2 71877627 JHXPHKSVZRDIHX-UHFFFAOYSA-N 308.389 2.108 0 40 DEAB O=C([C@@H]1C[C@H]1c1cccnc1)N1CCCC[C@@H]1Cn1cccn1 71865380 WKCQCXRBJIEOIH-IXDOHACOSA-N 310.401 2.463 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)C2(Cc3ccccc3)CCC2)C1 89401028 YDHWUWMEFUSXCD-OAHLLOKOSA-N 316.401 2.356 0 40 DEAB Cn1nc(C2CC2)cc1N1CCN(C(=O)c2ccsc2)CC1 225569825 YLLLCAKCDBQTIL-UHFFFAOYSA-N 316.430 2.321 0 40 DEAB Cc1noc(C)c1COC(=O)CNC(=O)c1ccc(Cl)cc1 3316964 VHNDHTOQHYBSSW-UHFFFAOYSA-N 322.748 2.418 0 40 DEAB COc1cnc(O[C@@H]2CCN(Cc3cccc(F)c3)C2)nc1 1203788487 LVJGJJPJGFDKFG-CQSZACIVSA-N 303.337 2.278 0 40 DEAB c1c(C2CCOCC2)nc(C2CC2)[nH]c1=NC[C@H]1CCCO1 1888850423 ZWHPTMZCFQSTLT-CQSZACIVSA-N 303.406 2.261 0 40 DEAB CSc1nc(C)cc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)n1 1889074277 KNBZXJIBVGUFAS-STQMWFEESA-N 304.463 2.427 0 40 DEAB COCCCNC(=O)Cc1c(C)nn(-c2ccccc2)c1C 20895985 NLCCUKUZUASVCK-UHFFFAOYSA-N 301.390 2.184 0 40 DEAB COc1ccc(CNS(=O)(=O)c2cc(F)ccc2C)cn1 32924397 XKMWFEOLQRKJSD-UHFFFAOYSA-N 310.350 2.016 0 40 DEAB Nc1c(-c2nc(-c3cccnc3)no2)nnn1-c1cccc(F)c1 4316681 RGFDPROMNSGOJO-UHFFFAOYSA-N 323.291 2.101 0 40 DEAB COc1ccccc1OCC(=O)N1CC[C@@H](OCC2CC2)C1 390830666 MOQLFEZRNNHNIY-CQSZACIVSA-N 305.374 2.102 0 40 DEAB O[C@@H]1CCN(C2CCN(c3ncc(Cl)cc3Cl)CC2)C1 664601055 NPEJBTSVSDXVED-GFCCVEGCSA-N 316.232 2.424 0 40 DEAB CC(C)n1nc(-c2ccccc2)nc1[C@H]1CC[C@@H](O)[C@H](N)C1 2332241472 UVZXVTCGOYVRRO-RRFJBIMHSA-N 300.406 2.482 0 40 DEAB CCCn1nc(C(=O)Nc2ccccc2-n2cccn2)ccc1=O 40133805 FDSSXEJXLZMYKP-UHFFFAOYSA-N 323.356 2.091 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1ccccc1OC[C@@H]1CCCO1 40489341 HKPIKZGOVYQQMV-KBPBESRZSA-N 305.374 2.153 0 40 DEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1cccs1 20910617 HJWOCAJGNGPNOX-ZDUSSCGKSA-N 302.355 2.154 0 40 DEAB COCc1nnc(NC(=O)COc2c(C)cccc2C)s1 148491 NEZGGGHWNTVCQM-UHFFFAOYSA-N 307.375 2.319 0 40 DEAB Cc1nc(SCC(=O)Nc2cccnc2)nc2c1CCC2 582104 RURSJCGHQRBMJT-UHFFFAOYSA-N 300.387 2.400 0 40 DEAB Cc1cc(NC(=O)CNc2cc3c(cc2Cl)OCCO3)on1 29691604 MBTVBPOQWCOYNT-UHFFFAOYSA-N 323.736 2.458 0 40 DEAB C[C@H](Cc1ccc(Cl)cc1)N[C@H](C)C(=O)N1CCOCC1 91373355 VMQKPHYAQBSKET-CHWSQXEVSA-N 310.825 2.108 0 40 DEAB COc1ccccc1NC(=O)COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101817779 ISEQPMHYYFVBRH-AVGNSLFASA-N 301.342 2.389 0 40 DEAB COc1ccc(C(=O)NCc2ccccn2)c(OC)c1OC 8289951 YAINNWPKLCFMJF-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB CCOC(=O)[C@@](NC(C)=O)(Nc1cccc(C)c1)C(F)(F)F 3138009 RFLZWVFKGAFWJI-CYBMUJFWSA-N 318.295 2.365 0 40 DEAB Cc1cc(C(=O)Nc2cccc3cn[nH]c23)ccc1-n1cnnn1 32818054 DWYOVSPFCTUZBD-UHFFFAOYSA-N 319.328 2.099 0 40 DEAB O=C([C@@H](c1ccccc1)C1(O)CCCCC1)N1CCOCC1 6582046 XDPAVXYTAAVGKT-MRXNPFEDSA-N 303.402 2.324 0 40 DEAB CCCNC(=O)CSc1nnc(C)n1-c1ccc(OC)cc1 6629627 WYIPOILTRWLFAH-UHFFFAOYSA-N 320.418 2.203 0 40 DEAB CCc1nnc(SCC(=O)Nc2cccc(C(=O)OC)c2)o1 7605467 DAMSBEFMBYRZAH-UHFFFAOYSA-N 321.358 2.149 0 40 DEAB Cc1cnn(CC(=O)/N=c2\ccccn2Cc2ccccc2)c1 102735805 RTLJPYFWVYSIOL-LVZFUZTISA-N 306.369 2.169 0 40 DEAB O=C(CSc1ncnc2ccsc12)NC[C@@H]1CCCO1 8329099 ZTFXPPIJAXPQMM-VIFPVBQESA-N 309.416 2.079 0 40 DEAB COc1cccc(C(=O)OCCn2cnc3ccccc3c2=O)c1 22468127 ZLZJZVWQTKLCOC-UHFFFAOYSA-N 324.336 2.262 0 40 DEAB biogenic C[C@@H]1NCCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 91496891 PSUSVKLYDMHRGI-GXSJLCMTSA-N 322.352 2.124 0 40 DEAB CC1=C(Cn2nnc(C(=O)O)c2C)N[C@@H](c2ccc(C)cc2)O1 101410770 FNTPSSPYJPRBMG-OAHLLOKOSA-N 314.345 2.143 0 40 DEAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccn2c1=O 25167436 NIRCJOKVQCXRST-UHFFFAOYSA-N 323.396 2.393 0 40 DEAB COC(=O)c1ccc(NC(=O)NCc2ccnc(C)n2)c(C)c1 56615311 IYZBBZJTJBXYIL-UHFFFAOYSA-N 314.345 2.202 0 40 DEAB C[C@@H](NC(=O)NCc1ccoc1)c1ccc(-n2cncn2)cc1 43818949 YQUDMDCBXHTEFH-GFCCVEGCSA-N 311.345 2.421 0 40 DEAB Cc1nc(C[C@H]2CCCN(CC(=O)N3CCCC[C@H]3C)C2)no1 107578635 KWWIEEVMGOSSCZ-UKRRQHHQSA-N 320.437 2.034 0 40 DEAB Cc1ccc(N(C)C(C)C)c(C(=O)NCCn2cnnc2C)c1 78972050 BRDOREQIDHVIMH-UHFFFAOYSA-N 315.421 2.170 0 40 DEAB CC(C)Sc1ccc(CC(=O)N2C[C@@H]3C[C@@H]2C(=O)O3)cc1 101453251 MEXXEZNTGGRWAB-GXTWGEPZSA-N 305.399 2.256 0 40 DEAB Cn1cncc1CN1CCC2(CC1)CC(=O)N(CC1CCC1)C2 108526336 VOLGYIYKSGOTQM-UHFFFAOYSA-N 316.449 2.035 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cccn2C)CCO1 92018661 YJEYRGZMDRMQBP-UKRRQHHQSA-N 323.437 2.139 0 40 DEAB CC1(C)COCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 58306152 JAJKWHMZNLCIIC-INIZCTEOSA-N 319.401 2.495 0 40 DEAB C[C@@H]1CCCCN1S(=O)(=O)NCCc1ccccc1F 27955261 MRNWFWIQDSOWTA-GFCCVEGCSA-N 300.399 2.077 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@H]1Cc2ccccc2S1 28014583 SLMZGRMUHSMFLJ-CQSZACIVSA-N 320.458 2.467 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 12611946 MUDZBADMEFEEOJ-HUUCEWRRSA-N 314.385 2.363 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NC[C@@H]1COc2ccccc2O1 28415461 WORIVBHRVNPVJT-GXTWGEPZSA-N 316.357 2.350 0 40 DEAB C[C@H](Sc1nc(C2CC2)nc2ccccc12)C(=O)NC(N)=O 10942257 KEDLFYOYRJHEBF-QMMMGPOBSA-N 316.386 2.183 0 40 DEAB O=C1NC(=O)c2ccccc2/C1=C\Nc1nnc(C2CC2)s1 29184886 AZQYCPCEKAOPPX-YRNVUSSQSA-N 312.354 2.139 0 40 DEAB COC(=O)CNC(=O)c1sc(-c2ccccc2)cc1OC 48323774 ZBOPQZIMAGHYOI-UHFFFAOYSA-N 305.355 2.327 0 40 DEAB CC(C)OCCOCc1cccc(NC(=O)NCCCO)c1 62416933 YQSWABKTOXBFJL-UHFFFAOYSA-N 310.394 2.132 0 40 DEAB Cc1cccc(OCC(=O)N2CCCC[C@@H]2C2OCCO2)c1 69452024 QRJQDAXZSRHPLN-OAHLLOKOSA-N 305.374 2.128 0 40 DEAB O=C(Cc1ccccc1F)NCc1ccc2c(c1)OCCO2 12995643 RKSCHRWQOOUDIM-UHFFFAOYSA-N 301.317 2.456 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)cc12 69872823 COHZSKFVICWZRX-CABCVRRESA-N 314.389 2.230 0 40 DEAB CNCC1CCN(S(=O)(=O)c2ccc(F)cc2Cl)CC1 63159767 NKRXRQMOLPQQOO-UHFFFAOYSA-N 320.817 2.099 0 40 DEAB NC(=O)[C@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 69516850 CYNMLJSNQVNJRK-ZDUSSCGKSA-N 308.809 2.387 0 40 DEAB COc1ccc(CNC(=O)c2ccc(F)cc2)cc1C(=O)O 13392795 MPTCOJDOVZBSEA-UHFFFAOYSA-N 303.289 2.463 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)O)cs1 13305496 BPGCKGBCJFMLPM-UHFFFAOYSA-N 303.405 2.400 0 40 DEAB Cc1ccccc1[C@H]1CCN(C(=O)c2nc3nccc(C)n3n2)C1 69532692 RUVNMMNYPWCRKK-AWEZNQCLSA-N 321.384 2.371 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccc(Cn2cccn2)cc1 69622300 SWOUQEFDWFVJOR-CQSZACIVSA-N 324.388 2.338 0 40 DEAB Cc1cnn(C[C@@H]2CN(Cc3ncc(C(C)(C)C)o3)CCO2)c1 69631006 NHHUUYTZXOZMAP-AWEZNQCLSA-N 318.421 2.378 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)/C=C/c1nc2ccccc2s1)C(N)=O 70698342 KTNUNGMHYHVBKD-LVZDVLHWSA-N 317.414 2.326 0 40 DEAB COc1c(CN[C@@H](C)C(=O)NC2CCCC2)c(C(C)C)nn1C 65474474 AZSCMNGBKZJJSI-LBPRGKRZSA-N 322.453 2.089 0 40 DEAB CCOc1ncnc2c1CN(C[C@@H](O)c1ccccc1F)CC2 65463557 QMXJMXGLSSADCV-MRXNPFEDSA-N 317.364 2.106 0 40 DEAB CCOc1cccc(CNC(=O)c2cnn3ccc(C)nc23)c1 65553626 XEUOKKCGULIDBM-UHFFFAOYSA-N 310.357 2.366 0 40 DEAB COC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ncc(C)s1 65538297 CZFLCSHXEYFVNP-GFCCVEGCSA-N 319.386 2.357 0 40 DEAB CCOC(=O)[C@@H]1Sc2nnc(C)n2N[C@H]1c1ccc(F)cc1 4717315 FEDBWGAQUDHLRL-NWDGAFQWSA-N 322.365 2.048 0 40 DEAB CC(C)n1c(CNC(=O)c2ccc(Cl)nc2)n[nH]c1=S 66639222 JDJQJFLZMIUDMQ-UHFFFAOYSA-N 311.798 2.500 0 40 DEAB Cc1nnc2c(S(=O)(=O)Nc3cc(F)cc(F)c3)cccn12 67172406 ZRMAHTQWSLMXKA-UHFFFAOYSA-N 324.312 2.117 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1C[C@H]1c1ccccc1 67512745 QZSYXTYCSUJNDD-GOEBONIOSA-N 319.364 2.069 0 40 DEAB CCNC(=O)[C@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C 15594031 MSGOKFDFZAUTTH-LBPRGKRZSA-N 318.396 2.242 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)OC 15989257 MVOHAMLHTLVPNH-IINYFYTJSA-N 324.377 2.413 0 40 DEAB COc1ccc([C@@H]2SCC(=O)N2C[C@H]2CCCO2)cc1OC 27754886 VQCNMWQIIHTQMY-WBMJQRKESA-N 323.414 2.457 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1 97039459 HHUOOCRNZUXKPQ-QWHCGFSZSA-N 313.357 2.164 0 40 DEAB CCOC(=O)N1CCC(N[C@@H](C)[C@H](O)c2ccc(F)cc2)CC1 97036842 LIYNXKGJRAPLJU-LRDDRELGSA-N 324.396 2.458 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H]1Cn1cccn1 71866336 OPUUFVGVTBQQFL-INIZCTEOSA-N 311.385 2.052 0 40 DEAB CCN1C[C@@H](CN(C)C(=O)c2cccnc2)Oc2ccccc21 71896578 DASFMUAVRKWLJG-OAHLLOKOSA-N 311.385 2.441 0 40 DEAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1Cn1cccn1 71866301 OAXKKPCFKHDXCA-CQSZACIVSA-N 322.368 2.029 0 40 DEAB CCCCCN1CC(=O)N[C@@H]1c1ccc(-n2cncn2)c(C)c1 97052911 FQCNTXRUNIOCAF-KRWDZBQOSA-N 313.405 2.196 0 40 DEAB CNc1cc(N2CCC[C@H]2CNCc2ccsc2)ncn1 72254087 LSMLMXPMZCAAJC-ZDUSSCGKSA-N 303.435 2.338 0 40 DEAB Cc1ccc2ncc(C(=O)Oc3ccc4[nH]ncc4c3)c(=O)n2c1 84210104 WYNAQNSOVVPFJO-UHFFFAOYSA-N 320.308 2.098 0 40 DEAB Cc1nc(NCC2(C(N)=O)CCOCC2)c2c(C)csc2n1 97141289 GLSBVBMZDAJBRL-UHFFFAOYSA-N 320.418 2.002 0 40 DEAB CCc1nnc(NC(=O)CCCc2nnc3ccccn23)s1 72402645 NJCKMNWSGRLOEP-UHFFFAOYSA-N 316.390 2.105 0 40 DEAB CC(=O)Nc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1 73481110 YDFOSAZBCLLMBO-UHFFFAOYSA-N 312.329 2.388 0 40 DEAB O=C(CCOc1ccccc1F)N1CC[C@@](O)(C(F)(F)F)C1 73921472 CIZUEONZFLRWFN-ZDUSSCGKSA-N 321.270 2.120 0 40 DEAB C[C@H](CC(=O)O)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 95970357 SBKQUGOBNHVMCO-MRVPVSSYSA-N 307.737 2.323 0 40 DEAB Cc1ccc(C(=O)N2CCOC[C@H]2c2ncon2)cc1Cl 95981332 UDIQCQMSWUGCIZ-LBPRGKRZSA-N 307.737 2.245 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(-c3cccnc3)on2)cn1 75127286 KAWNTCLKTNFYHJ-HNNXBMFYSA-N 323.356 2.447 0 40 DEAB Cc1cc(CC(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)no1 89601032 VJWNOECRKDLRNL-INIZCTEOSA-N 318.373 2.163 0 40 DEAB Cc1nsc(NC(=O)c2cccnc2OCC(F)F)n1 89819541 IHOGAWVZEWGUAQ-UHFFFAOYSA-N 300.290 2.138 0 40 DEAB COc1c[nH]c(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1=O 524731419 XGFDKEONUOWODE-UHFFFAOYSA-N 323.352 2.063 0 40 DEAB biogenic CCn1nc(C)c(S(=O)(=O)NCCc2ccc(C)cc2)c1C 72239085 ZXGWGZNRVXBSBK-UHFFFAOYSA-N 321.446 2.349 0 40 DEAB Oc1nc(-c2ccncc2)nc2c1CN(Cc1ccoc1)CC2 72339813 VBPQQBZLPDGZSF-UHFFFAOYSA-N 308.341 2.396 0 40 DEAB C[C@@H]1C[C@@H]1NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 78405566 PEHVYWUFYDLGIJ-PVAVHDDUSA-N 301.434 2.259 0 40 DEAB CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(C)=O 70670676 WAPXYWMIEBPWLI-UHFFFAOYSA-N 314.407 2.074 0 40 DEAB COc1cc2c(cc1OC)CCN(CC1(CC(=O)O)CC1)CC2 563279846 GDTVSTOKHYFEPV-UHFFFAOYSA-N 319.401 2.359 0 40 DEAB O=S(=O)(C1=C(N2CCOCC2)CCC1)[C@H]1C[C@@H]2C=C[C@H]1C2 45027614 OLIYZLWATISSAJ-WWGRRREGSA-N 309.431 2.094 0 40 DEAB O=C(O)[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 195541548 CCDRNFUANYAGMF-AWEZNQCLSA-N 304.321 2.315 0 40 DEAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225602901 HVIFAXMXRFHMBW-LOWDOPEQSA-N 307.733 2.241 0 40 DEAB CCCn1nc(NC(C)=O)c(C(=O)OCC)c1Br 225807269 HQFTYZALIPTCLG-UHFFFAOYSA-N 318.171 2.191 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCN(CC(F)(F)F)CC2)[nH]n1 78486152 NWHZJLNPBAKLNW-UHFFFAOYSA-N 318.343 2.027 0 40 DEAB O=S(=O)(c1cccc2c1OCC2)N1CCCc2ncccc21 333878455 UARPXTUUHMJRLG-UHFFFAOYSA-N 316.382 2.158 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(c1nc(C(C)C)ns1)CC2 96455797 DTGVKFVTQUFWEG-RYUDHWBXSA-N 311.451 2.418 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccc(Cl)cc1)c1ccncc1F 96450072 ZGMDQZNGQMQWPX-LBPRGKRZSA-N 322.767 2.455 0 40 DEAB c1cncc(CO[C@@H]2C[C@@H]3CN(Cc4ccoc4)CCN3C2)c1 96055027 NJHFQNBCGMPLHH-QZTJIDSGSA-N 313.401 2.150 0 40 DEAB O=C([C@@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCCC1 96052172 LIJYGAKGQCGZSP-INIZCTEOSA-N 318.417 2.131 0 40 DEAB c1ccc(NCc2cn3c(n2)CN(Cc2ccoc2)CC3)nc1 96197500 FEDRSXWAHPNCPS-UHFFFAOYSA-N 309.373 2.499 0 40 DEAB COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccccc1F)C2 96039204 OWRWRIVWMQXCDG-WMZOPIPTSA-N 321.392 2.412 0 40 DEAB c1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccsc4)C3)C2)nc1 96047713 PABDGCHCXFCCED-GOEBONIOSA-N 316.430 2.384 0 40 DEAB Cc1nc(C)c(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)o1 96485005 IXCOIHRCRKXCAH-SNVBAGLBSA-N 311.345 2.363 0 40 DEAB CCOc1ncnc2c1CN(c1ncnc3ccccc13)CC2 97201824 BTUBHUUSMJGWTN-UHFFFAOYSA-N 307.357 2.381 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](n2nccn2)C1 245171765 XUEKRICFNFNXLO-JTQLQIEISA-N 308.744 2.087 0 40 DEAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 257225267 FFNNIPSQFUCKRF-CQSZACIVSA-N 323.400 2.391 0 40 DEAB Cc1cc(C)c(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc1C 42814974 GSPFEDRFNAASAG-SNAWJCMRSA-N 300.402 2.349 0 40 DEAB Cc1ncoc1C(=O)N(C)[C@@H]1CC[C@@H](Oc2ccccc2)[C@@H]1O 257203954 ASJAGNQWTRMNMR-RBSFLKMASA-N 316.357 2.026 0 40 DEAB Cc1cc(C)n2ncc(CN3CCC[C@H]3c3ccncn3)c2n1 257224661 FCUBCWBTJKZFHT-INIZCTEOSA-N 308.389 2.473 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2cccc(-c3nccs3)n2)C1 257247483 IZFLTQWGPCKQAM-LLVKDONJSA-N 323.443 2.344 0 40 DEAB CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H]2CCCN2)CC1 252486313 IHCMFRXCKNHPIP-QZTJIDSGSA-N 315.461 2.252 0 40 DEAB CC[C@@H]1CN(C(=O)c2c[nH]c(C)n2)CCN1Cc1ccccc1 273840798 GVYXQCGRXFJLLM-MRXNPFEDSA-N 312.417 2.455 0 40 DEAB CC(C)(C)c1nnc(N2CCC(C(=O)NC3CC3)CC2)s1 370495976 IHVDGAGUMIMMFA-UHFFFAOYSA-N 308.451 2.331 0 40 DEAB CCOC[C@H](C)NC(=O)c1sc(-c2ncccn2)nc1C 58407698 WKGBYYNVAGWXHU-VIFPVBQESA-N 306.391 2.063 0 40 DEAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H](n2cncn2)C1 72234992 GYZKBTLPHSRTAG-HRCADAONSA-N 314.364 2.384 0 40 DEAB Cc1ccc(CN2CCC(NS(=O)(=O)C3CC3)CC2)cc1 1849305825 OLUCPYOHTVAUEB-UHFFFAOYSA-N 308.447 2.041 0 40 DEAB CN(Cc1cnn(Cc2ccccc2)c1)c1ncccc1C(N)=O 29429698 XAKVZJAZBAQHLO-UHFFFAOYSA-N 321.384 2.062 0 40 DEAB CN1C(=O)[C@H](C(=O)O)[C@H]2c3ccccc3O[C@]13CCCC[C@H]23 100213078 JUWAKUBFCACRJR-WFTWPBCJSA-N 301.342 2.222 0 40 DEAB O=S(=O)(NC[C@@H](O)c1cccs1)c1cc(F)ccc1F 75156073 ZGIMAMDIFYBVGL-SNVBAGLBSA-N 319.354 2.038 0 40 DEAB CCOC[C@H]1CCCN(C(=O)NCCCn2cc(C)cn2)C1 73057994 AFEALWXHDUDKHW-HNNXBMFYSA-N 308.426 2.040 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN1C(=O)c1ccc(Cl)cc1F 40063097 FQMOIKFMSUZYMD-CYBMUJFWSA-N 310.756 2.362 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H](O)c1ccccc1F)C2=O 40494269 MYZJOIDUGULJGZ-WHCBVINPSA-N 320.364 2.360 0 40 DEAB CC(=O)NCCNC(=O)c1cnc(-c2ccccc2Cl)s1 51340540 RKJRXDJRICPNEE-UHFFFAOYSA-N 323.805 2.329 0 40 DEAB CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C 2556566 ZRYIVAXOMUWFLO-AWEZNQCLSA-N 317.389 2.350 0 40 DEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29308255 VFDHEWXDASKCAK-IONNQARKSA-N 302.783 2.306 0 40 DEAB CCOC(=O)c1cnc2sc3cc(OC)ccc3n2c1=O 366913 OLQIQQAUNMPTBM-UHFFFAOYSA-N 304.327 2.095 0 40 DEAB CC(C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc3cn[nH]c23)C1 46195518 NJTRVZVRADJANC-CYBMUJFWSA-N 314.389 2.396 0 40 DEAB O=c1c2c3c(sc2n2nnnc2n1-c1ccccc1)CCCC3 341105 ZFBZCAAWPOYICP-UHFFFAOYSA-N 323.381 2.369 0 40 DEAB C[C@@H]1C[C@H](OCCOCCOS(=O)(=O)O)CC(C)(C)C1 1562422 KBFYJZOAKXESLS-NEPJUHHUSA-N 310.412 2.054 0 40 DEAB CCCCOc1ccc(CCN(C)c2ncnc(N)n2)cc1 2589947 GGDZDJMFQSYFCN-UHFFFAOYSA-N 301.394 2.312 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Oc1cccc(-n2cnnn2)c1 21798551 GJZAWPOKSIKHSH-UHFFFAOYSA-N 314.732 2.464 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCCO2 4907743 XYMYKVNTRJRNLZ-YPMHNXCESA-N 318.373 2.091 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2ccccc2N)c1 6715299 HGYNUKGJIOONRX-UHFFFAOYSA-N 300.314 2.073 0 40 DEAB CCOC(=O)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 7369006 GHIVALFFSNXTHA-ZDUSSCGKSA-N 308.403 2.329 0 40 DEAB Cc1ccc(OCC(=O)OCc2ccn(C)c(=O)c2)cc1C 32937793 AZBOVKVEOVVRIS-UHFFFAOYSA-N 301.342 2.124 0 40 DEAB CCNC(=O)[C@@H](C)N[C@@H](C)CC(=O)Nc1ccc(Cl)cc1 8328515 CFYIORFWSJOTBA-WDEREUQCSA-N 311.813 2.171 0 40 DEAB CONC(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 52998132 GCZGKKBKFKEZCP-DNGMOHDESA-N 322.792 2.412 0 40 DEAB CN(C)c1ccc(NC(=O)c2cc(Br)c[nH]2)cn1 22420344 KNNPIWLKJOJRNU-UHFFFAOYSA-N 309.167 2.491 0 40 DEAB CC1(C)CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)C1 76067279 KAIDXEDJVCIECF-CYBMUJFWSA-N 304.390 2.390 0 40 DEAB CCCNC(=O)NC(=O)CNc1ccccc1OC(F)(F)F 22811951 QBNVIFMLASGWII-UHFFFAOYSA-N 319.283 2.233 0 40 DEAB COc1ccc(CC(=O)Nn2cnc3ccccc32)cc1OC 24153464 OZKQKYDWDAILRF-UHFFFAOYSA-N 311.341 2.366 0 40 DEAB COc1ccc(CCNC(=O)c2nc(-c3cccnc3)no2)cc1 12408061 JLGVMIGOLSBPLG-UHFFFAOYSA-N 324.340 2.113 0 40 DEAB OC[C@@H]1CCCN1C[C@H](O)COc1ccc2ccccc2c1 106584769 HJUQFNZHSDORNE-IRXDYDNUSA-N 301.386 2.036 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(Cl)ccn1 100619146 IECYGRFBGDRNKP-JKIMBZHGSA-N 300.745 2.293 0 40 DEAB O=C(NCC1CC1)[C@@H]1CCCN(c2ncnc3sccc23)C1 52359949 NQQQVEYEXKWEED-GFCCVEGCSA-N 316.430 2.434 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1nccn1C 44890764 DQSXOXXCZMOQNY-KRWDZBQOSA-N 324.384 2.473 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(F)cc1 101646482 KHGZKIMUQLITFB-YYIAUSFCSA-N 306.333 2.044 0 40 DEAB COc1ccc(-c2nnc(CNC[C@@H](C(C)C)N(C)C)o2)cc1 58342011 HDKXXJMQCNEGLV-HNNXBMFYSA-N 318.421 2.421 0 40 DEAB NC(=O)NC(=O)CCN1Cc2ccccc2-c2ccccc2C1 58329629 IYOSIIMXCAIHJK-UHFFFAOYSA-N 309.369 2.254 0 40 DEAB O=C(CC1(C(=O)O)CCCC1)Nc1cccc2c1OCCO2 58377133 XQSFKTAXUYSIDX-UHFFFAOYSA-N 305.330 2.431 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCOc2ccccc21 58421067 NEALZMRECAAABB-HNNXBMFYSA-N 300.406 2.408 0 40 DEAB Cc1ccccc1CC(=O)Nc1ncn(Cc2ccccn2)n1 58441043 NUURGMUIZCTHTP-UHFFFAOYSA-N 307.357 2.211 0 40 DEAB COCCN1C[C@@H](C(=O)N[C@H](c2cccs2)C(C)C)CC1=O 45310645 RVUUOHDWYKOQHQ-WFASDCNBSA-N 324.446 2.056 0 40 DEAB C[C@@H](NC(=O)CCc1ccco1)c1nnc2n1CCCCC2 45897429 PCRVDINLXRDZRW-GFCCVEGCSA-N 302.378 2.408 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC[C@H]2C)cc1 3403335 YEGATDMOOSVGCO-GFCCVEGCSA-N 318.373 2.203 0 40 DEAB COc1ccccc1CNC(=O)c1ccc(S(C)(=O)=O)cc1 3554155 RANBJRQWGMFRMB-UHFFFAOYSA-N 319.382 2.029 0 40 DEAB CN(C)S(=O)(=O)c1ccc(CNCc2cccs2)s1 49021355 XYPXKYKOIGRSSZ-UHFFFAOYSA-N 316.473 2.350 0 40 DEAB CCCCOC(=O)[C@@H]1CN(c2ccccc2)N=C1C(=O)OCC 4142965 FELSOHPIGBXLIA-CQSZACIVSA-N 318.373 2.385 0 40 DEAB OCCSc1nc(F)c(Cl)c(SCCO)c1F 13689973 XLQPIDMIMASKOL-UHFFFAOYSA-N 301.767 2.182 0 40 DEAB O=C(NC1CCCC1)c1c(O)n2c3c(cccc3c1=O)CCC2 4370305 ITLRMZSIMZWISH-UHFFFAOYSA-N 312.369 2.326 0 40 DEAB O=C(CC1CCCCC1)NCCNC(=O)NCc1ccco1 69632541 NPBYAVVRQSCAGM-UHFFFAOYSA-N 307.394 2.165 0 40 DEAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2 5291268 CXTLWMHMUCRMBJ-UHFFFAOYSA-N 312.369 2.407 0 40 DEAB Nc1nc(N)nc(COc2ccc(Cc3ccccc3)cc2)n1 65487487 DZGBUBSYWNDWRF-UHFFFAOYSA-N 307.357 2.206 0 40 DEAB COC[C@@H](C)NC(=O)N1CCCN(Cc2cccs2)CC1 65449313 FECIEVQZFKPZRK-CYBMUJFWSA-N 311.451 2.000 0 40 DEAB Cc1ccccc1[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C)C 69812039 PPKKXUJZLIWFDD-HIFRSBDPSA-N 324.446 2.178 0 40 DEAB CN1CCO[C@@H](CNCc2cccc(OCC(F)(F)F)c2)C1 65624437 XZWYLKKXGRJOCN-AWEZNQCLSA-N 318.339 2.048 0 40 DEAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCC(N)=O 14200128 MGQZTEHXFGCIOM-UHFFFAOYSA-N 309.387 2.036 0 40 DEAB CCCCOCCCNC(=O)CCC(=O)NCc1ccc(C)o1 6656520 SLVWMSJJGNGTSH-UHFFFAOYSA-N 324.421 2.307 0 40 DEAB Cc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1 4815208 NTZCJVMSBDJXLM-UHFFFAOYSA-N 305.384 2.235 0 40 DEAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1cccnc1 15436384 JWYHGHZNRVNJIK-UHFFFAOYSA-N 303.749 2.494 0 40 DEAB C[C@@H](C(=O)N(C)C1CCCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 80294838 LQJOPMURLFYGQT-NWANDNLSSA-N 320.433 2.341 0 40 DEAB CNC(=O)c1cccnc1NCCCc1nc2ccccc2n1C 81009130 RFZRVCDDQDTOLT-UHFFFAOYSA-N 323.400 2.373 0 40 DEAB O=C(CCc1nc(-c2ccccc2)no1)NCc1ccccn1 8073296 DVWSBVHNEDNWPY-UHFFFAOYSA-N 308.341 2.381 0 40 DEAB CC(C)CNC(=O)c1cccc(Oc2ccc3nncn3n2)c1 61721750 UWDIMZVLVSQOPJ-UHFFFAOYSA-N 311.345 2.302 0 40 DEAB O=C(NCc1ccc(Br)cc1)NCc1ccon1 78987905 UIZXTXVPHVULEO-UHFFFAOYSA-N 310.151 2.437 0 40 DEAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)NCCn1ccnn1 96007839 PMEZBRLWXCBJGI-AWEZNQCLSA-N 323.400 2.362 0 40 DEAB CC[C@H](CO)N1CCN(Cc2cnc(C(C)(C)C)s2)CC1 93740250 KHQMAPHONDHPOB-CYBMUJFWSA-N 311.495 2.329 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1 71835168 ZSVAZYPOXRALCI-JKSUJKDBSA-N 311.385 2.123 0 40 DEAB COCCN1CCN(C[C@H](O)c2ccccc2Cl)C[C@@H]1C 71864783 MMZHZFBKWFIVQB-BBRMVZONSA-N 312.841 2.026 0 40 DEAB COc1ccccc1C1(CNC[C@@H]2CNc3ccnn3C2)CC1 71888664 ZDFNFJMGKFPHAA-CQSZACIVSA-N 312.417 2.255 0 40 DEAB C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 96502150 OSOCEBYXTSWDCD-VHDGCEQUSA-N 316.405 2.065 0 40 DEAB CO[C@H](CNC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 72274198 UWPYKAKDPIDHIT-JKSUJKDBSA-N 305.422 2.110 0 40 DEAB C[C@@H]1SCCN(CC(=O)N[C@@H]2CCOc3ccccc32)[C@H]1C 71911137 BPIWVFYISALRME-KCQAQPDRSA-N 320.458 2.452 0 40 DEAB CCn1nc(C)c(CN2CCC(O)(C(F)(F)F)CC2)c1C 97162261 XNVQAURTGSRMHS-UHFFFAOYSA-N 305.344 2.409 0 40 DEAB Brc1cc(N2CCNCC2)cnc1Br 34052839 HXFVAAQNKJIFHH-UHFFFAOYSA-N 321.016 2.016 0 40 DEAB Cc1csc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)n1 72405774 BTGKPVZNWILEEE-UHFFFAOYSA-N 314.370 2.109 0 40 DEAB CSc1nccc(N2CCN(C(=O)OC(C)(C)C)CC2)n1 72203026 ORGBKIZASFFGNK-UHFFFAOYSA-N 310.423 2.256 0 40 DEAB CCN(C(=O)OCc1ccccc1)[C@H]1CCCN(CCN)C1 79411579 AHPMNZWTROIHIK-INIZCTEOSA-N 305.422 2.068 0 40 DEAB CN(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Cc1ccc(F)cc1 189182584 HJVWXLDBCAUEBT-HOTGVXAUSA-N 316.376 2.209 0 40 DEAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1 77844989 DCXMBAXXDKJWOA-BONVTDFDSA-N 312.797 2.192 0 40 DEAB CCOc1cc2c(cc1CN1C[C@H]3CCCN3C[C@@H]1C)OCO2 72324579 AQHBQPOCPHUUKS-DZGCQCFKSA-N 318.417 2.483 0 40 DEAB Cc1nc(Nc2nccs2)cc([C@H]2CCCN2CCO)n1 72360136 CCBYGWUZQSABIZ-GFCCVEGCSA-N 305.407 2.114 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc3nc(-c4ccncc4)oc3c2)C1 70461404 KYFPNENZEXTFKJ-NSHDSACASA-N 323.308 2.327 0 40 DEAB CCOC(=O)c1ccc(Nc2cc(N)nc(CCOC)n2)cc1 49467752 ZDRJOMLHTUBBBL-UHFFFAOYSA-N 316.361 2.168 0 40 DEAB Cc1ccc(C(C)C)cc1OCc1cc(=O)n(C)c(=O)n1C 48300534 HPLGKMYUHBCUHU-UHFFFAOYSA-N 302.374 2.095 0 40 DEAB Cc1ccccc1CNC(=O)c1cc(NC(=O)C2CC2)n(C)n1 46089118 NAOUBKOUGRCLTC-UHFFFAOYSA-N 312.373 2.007 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2F)C1 45952673 BRAQMRWLHYRQDB-SSDOTTSWSA-N 316.126 2.114 0 40 DEAB C[C@@]1(C(=O)NC[C@H]2CCCO2)CC(c2ccc(F)cc2)=NO1 226749328 JSBISCFZICCOLV-CJNGLKHVSA-N 306.337 2.004 0 40 DEAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@@H](C)C2CCC2)C1 225411480 FSNLIVUFUNTUCR-TVYUQYBPSA-N 308.382 2.038 0 40 DEAB C[C@@H](CNC(=O)Nc1cnns1)N1CCc2ccccc2C1 192323802 DWAFQQWYQLMHBK-NSHDSACASA-N 317.418 2.106 0 40 DEAB Cc1noc(CCC(=O)Nc2ccnc(-c3ccccc3)n2)n1 93257348 YKTJYYPJXSJKAF-UHFFFAOYSA-N 309.329 2.406 0 40 DEAB C[C@](CO)(NCc1nnnn1-c1ccccc1)C1CCCCC1 96420060 VPEFWXBSJLFPCU-QGZVFWFLSA-N 315.421 2.083 0 40 DEAB Cc1ccc2c(n1)OCCN2C(=O)c1cc(CC(C)C)n[nH]1 97232652 PXSDAQFAVJARPJ-UHFFFAOYSA-N 300.362 2.351 0 40 DEAB c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)c1 96041679 QQRTWOXFNNNPDD-GVDBMIGSSA-N 300.358 2.485 0 40 DEAB C[C@H](Sc1ncc(CO)n1C)C(=O)N[C@@H](C)c1ccccc1 96444641 XATZVKHQZBCVAQ-RYUDHWBXSA-N 319.430 2.270 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 96246141 HUIRQOVTADUNCC-IMJJTQAJSA-N 320.458 2.321 0 40 DEAB O=C(c1ccco1)N1CCC[C@]2(C[C@H](n3ccnc3)CO2)C1 96073898 VDGBSCIMJKXEMT-BBRMVZONSA-N 301.346 2.113 0 40 DEAB Fc1ccc(CN2CCn3c(Cn4cccn4)cnc3C2)cc1 96061807 UEAPDSSBVUKVSB-UHFFFAOYSA-N 311.364 2.283 0 40 DEAB CC(C)Nc1ccnc([C@@H]2COCCN2Cc2ccco2)n1 96216978 CFACJDJDHMAZLA-AWEZNQCLSA-N 302.378 2.463 0 40 DEAB C[C@@H]1C[C@@H]1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1 245338897 PEHVYWUFYDLGIJ-OIISXLGYSA-N 301.434 2.259 0 40 DEAB Cc1n[nH]cc1CN1CCC[C@H](c2cncc(-n3ccnc3)n2)C1 257317565 VKHMLLMNVGOIKO-AWEZNQCLSA-N 323.404 2.073 0 40 DEAB O=C(NCc1cnc([C@@H]2CCCCO2)nc1)c1cncs1 257314573 UXNXJFXOHJJVPL-NSHDSACASA-N 304.375 2.105 0 40 DEAB CO[C@H]1CCCN(C(=O)C2CCNCC2)[C@H]1Cc1ccccc1 585268993 GUNFUDJMCOQTJQ-ROUUACIJSA-N 316.445 2.235 0 40 DEAB Cc1ccc(CN(C)Cc2nc(O)c3cnn(C)c3n2)c(C)c1 54418098 RYBZVPQHWOYOLK-UHFFFAOYSA-N 311.389 2.318 0 40 DEAB O=C(CSc1nncn1CC(F)(F)F)Nc1nccs1 51974427 BTGJXMUCSRGZSN-UHFFFAOYSA-N 323.325 2.028 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccoc2C)cc1 57010882 DEOWIKJCQNIQDE-UHFFFAOYSA-N 323.370 2.195 0 40 DEAB C[C@@H](c1cccnc1)N1CCN(CC(=O)Nc2ccccc2)CC1 58264402 WBBYCESGHHBFHC-INIZCTEOSA-N 324.428 2.399 0 40 DEAB CC(C)[C@@H]1C[C@@H](CC(=O)NCCCO[C@@H]2CCOC2)CCO1 96005776 OAUAXUMHMXNFIG-XHSDSOJGSA-N 313.438 2.140 0 40 DEAB CC(C)C[C@H](C(=O)O)N1CC[C@](O)(Cc2ccc(F)cc2)C1 516981308 IQGMEXRTUUTREM-WBVHZDCISA-N 309.381 2.304 0 40 DEAB Cc1noc([C@@H]2[C@@H](C)OCCN2Cc2nc3ccccc3o2)n1 573113433 QHTWHVPPDOURCH-BMIGLBTASA-N 314.345 2.481 0 40 DEAB O=c1[nH]c(N2CCCCC2)nc2c1CN(Cc1ccccc1)CC2 12145342 RDHNNHBIBSLCJC-UHFFFAOYSA-N 324.428 2.319 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17054191 CZQDHPQTMYYWFI-WVGQAWGZSA-N 317.341 2.143 0 40 DEAB Cc1ccc(CN2C[C@@H](N)[C@H](c3cn(C)c4cnccc34)C2)o1 19216644 ZONAZTWVHROLQJ-DLBZAZTESA-N 310.401 2.401 0 40 DEAB CCOC(=O)c1sc(Nc2nc(C)c(C)c(=O)[nH]2)nc1C 19819590 FONBXZBIBZXRKH-UHFFFAOYSA-N 308.363 2.072 0 40 DEAB Nc1ccnc(Nc2ccccc2I)n1 161554735 BFMGPJIFQVEOAR-UHFFFAOYSA-N 312.114 2.407 0 40 DEAB CCN1CCN(C[C@H](O)COc2ccc(Cl)c(C)c2)CC1 19367325 DXIJJSKQKLBVAK-AWEZNQCLSA-N 312.841 2.026 0 40 DEAB COC(=O)c1cc(-c2ccc(N3CCOCC3)c(F)c2)on1 260405103 HPBZTOWFRXRTQF-UHFFFAOYSA-N 306.293 2.104 0 40 DEAB Cc1ccc2c(COC(=O)C3=COCCO3)cc(=O)oc2c1C 4871270 ZNUWDFVDBIWSNZ-UHFFFAOYSA-N 316.309 2.341 0 40 DEAB O=C([C@H]1CN(Cc2ccc(Cl)cc2)CCO1)N1CCCC1 1889128260 IONFBIKXNYYART-OAHLLOKOSA-N 308.809 2.163 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2ccccc2)C1 38849063 SNRAQBYPRGFDGU-SJORKVTESA-N 302.418 2.194 0 40 DEAB Cc1cccc(NC(=O)COc2cccc3c2CCNC3=O)c1 4851119 VGYHTNIPCJMJDW-UHFFFAOYSA-N 310.353 2.298 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1Cl 10255665 KIKCVEHVZXIBRT-CQSZACIVSA-N 300.745 2.397 0 40 DEAB CCOC(=O)[C@H](C)Sc1ccc(NC(=O)c2ccco2)nn1 11739119 GWTYDOKJSPKIBW-VIFPVBQESA-N 321.358 2.366 0 40 DEAB c1ccc(-c2nnc(COc3ccc(-n4cnnn4)cc3)o2)cc1 15083434 URGAYCNAZBRQPF-UHFFFAOYSA-N 320.312 2.291 0 40 DEAB CCc1n[nH]c(=O)c(C(=O)N2C[C@H]3CCCC[C@@H]3C2)c1CC 96466425 RQMGBWFTLKOYLS-VXGBXAGGSA-N 303.406 2.157 0 40 DEAB NC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10407382 PMXMBVYIMNAHBR-UHFFFAOYSA-N 312.325 2.086 0 40 DEAB O=C1CCCN1CCc1nc2scc(C3CC3)c2c(=O)[nH]1 40555653 JEZSKODFBMXOSE-UHFFFAOYSA-N 303.387 2.027 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc2c(c1)OCO2)C31CC1 178691 ZGPBKMNGWPVKJX-HGSJOUDDSA-N 309.321 2.117 0 40 DEAB O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCc1ccccc1 102129658 NIXHTUDUMQRUHY-GASCZTMLSA-N 313.353 2.071 0 40 DEAB Cc1noc(-c2ccc(C(=O)N[C@@H]3CCN(C4CC4)C3)cc2)n1 60470407 CITYCHPWIMSWNR-CQSZACIVSA-N 312.373 2.012 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 32863586 SEFHCOVHWHXPFH-QGZVFWFLSA-N 319.449 2.151 0 40 DEAB CCCNC(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 6743948 NRSZITFZVLARBN-UHFFFAOYSA-N 304.350 2.297 0 40 DEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 6879680 COLVHDVAXYWGRK-XFXZXTDPSA-N 304.371 2.249 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1c[nH]c2ccccc2c1=O 42018554 HMRQBVXJGFIHBF-UHFFFAOYSA-N 318.336 2.334 0 40 DEAB Sc1nnc(-c2ccc(I)cc2)[nH]1 9286969 ONAXDCGQCKTLHT-UHFFFAOYSA-N 303.128 2.365 0 40 DEAB O=C(NCCn1nc(-c2ccc(Cl)cc2)ccc1=O)C1CC1 9660919 RTMREDBUEBTYNI-UHFFFAOYSA-N 317.776 2.090 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 54121759 CIEANOFDWKQTMK-CQSZACIVSA-N 300.362 2.112 0 40 DEAB CCN(CC)CCN1CN=C(S)N(c2ccccc2OC)C1 22933477 NBCOXONDCOLSMW-UHFFFAOYSA-N 322.478 2.360 0 40 DEAB CC1CCN(c2ccccc2N2C[C@@H](C(=O)O)CC2=O)CC1 57328203 ISJMNEWPOYCHEZ-ZDUSSCGKSA-N 302.374 2.360 0 40 DEAB O=S(=O)(c1ccc2ccccc2c1)N1CCCn2ncnc21 105780001 QXKSAHIOJCXJAV-UHFFFAOYSA-N 314.370 2.030 0 40 DEAB O=C(Cc1cn2ccsc2n1)Nc1ccc(-n2ccnc2)nc1 24902032 GRZJWNBBTSZVPD-UHFFFAOYSA-N 324.369 2.158 0 40 DEAB CC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 106762333 MSEBVGOLOPUJIZ-AEGPPILISA-N 314.385 2.380 0 40 DEAB C[C@H]1COC2(CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)O1 78846255 LMRDCQWSYNTMPM-ONGXEEELSA-N 308.205 2.324 0 40 DEAB Cc1ccc([C@H](CNC(=O)c2occc2C)N2CCOCC2)o1 25399169 OAVFFCXHBJFKNL-AWEZNQCLSA-N 318.373 2.293 0 40 DEAB CC(=O)Nc1ccc(OCC(=O)NCCc2ccccc2)cc1 3334779 YZNQKHOATFRASR-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)N1CCOCC1 44892204 OCNHVUGISXHIKK-UHFFFAOYSA-N 314.389 2.031 0 40 DEAB CC[C@](C)(NC(=O)CCc1ccc(OC)c(F)c1)C(=O)OC 58201740 VXCCFGBVABQCOX-INIZCTEOSA-N 311.353 2.225 0 40 DEAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)NCc1cc(C)on1 69737710 XXRJHNYAOCXUBD-KBPBESRZSA-N 301.346 2.347 0 40 DEAB O=S(=O)(CCN1CCOc2ccccc21)Oc1ccccc1 58377898 LQTCDJZLZYRXGG-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccccc2Cl)C1 27936379 BGJCNGMXJILWHK-LLVKDONJSA-N 302.827 2.406 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)NCC(F)(F)F)CC2 48253991 WENAMTOYTIPQMI-UHFFFAOYSA-N 318.295 2.334 0 40 DEAB Cc1ccc(C(=O)N2CCC(c3nnc(N)o3)CC2)c(C)c1 36392446 XGLLKSNNMIUTQR-UHFFFAOYSA-N 300.362 2.288 0 40 DEAB Cc1cc(NC(=O)CCn2cncn2)ccc1Br 10816570 GQPMAPYHABGWCZ-UHFFFAOYSA-N 309.167 2.378 0 40 DEAB CC1(C)C[C@@](O)(CCNCc2ccc3c(c2)OCO3)CCO1 2328201 BQDQPAZSZCXSJY-QGZVFWFLSA-N 307.390 2.215 0 40 DEAB O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCc1cccs1 12896833 KZJKNJYKUROTLR-AWEZNQCLSA-N 316.382 2.197 0 40 DEAB COc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2)cc1 3510957 VNFDYBCNUDPQNJ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB CSc1nnc(SCC(=O)Nc2cc(C)on2)s1 3552089 JKDRAGSBNVUGRX-UHFFFAOYSA-N 302.406 2.287 0 40 DEAB COCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(F)c1 69814044 GAWYAVVKHFOUSA-RNCFNFMXSA-N 315.728 2.100 0 40 DEAB in-vitro O=C(NC1CCCC1)[C@@H]1CSCN1C(=O)c1ccccc1 38344823 CDUAQQQHNXOBDH-AWEZNQCLSA-N 304.415 2.261 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cs1 69815001 GHBAXJXQSVGISA-KBPBESRZSA-N 307.463 2.333 0 40 DEAB COC(=O)c1cc2ccccc2cc1Oc1ccc2nnnn2n1 14135772 PLARJAHEJZUWBE-UHFFFAOYSA-N 321.296 2.251 0 40 DEAB CC(C)c1ccc(CNC(=O)C(=O)NCc2ccco2)cc1 4702960 HDNBQJPPMOJMTD-UHFFFAOYSA-N 300.358 2.336 0 40 DEAB CC(=O)N[C@H](C(=O)OCC(=O)c1cc(C)c(C)cc1C)C(C)C 6865278 FZMVPWXXSJCLBM-KRWDZBQOSA-N 319.401 2.498 0 40 DEAB CS(=O)(=O)CCNC(=O)N1CCC[C@H](c2ccccc2)CC1 67066899 LSFGPAXNHXWUOW-HNNXBMFYSA-N 324.446 2.010 0 40 DEAB Cc1cc([C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1 67432988 QLUUXZOCGYCVLF-SECBINFHSA-N 311.407 2.286 0 40 DEAB CCO[C@H]1C[C@@H]1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 67524142 JLQZYYOPMGKPCS-BBRMVZONSA-N 317.364 2.361 0 40 DEAB CN1CCC(NC[C@@H](O)c2cccc(OC(F)F)c2)CC1 90910741 DWZSFDWDLLTGLA-CQSZACIVSA-N 300.349 2.005 0 40 DEAB CCOC(=O)c1cnc(Nc2ccc(OCC)cc2)nc1N 19796921 WLGXCHCMGYTHIB-UHFFFAOYSA-N 302.334 2.378 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccncc1 69045910 SUIRSJYXXLFXJY-XJKSGUPXSA-N 324.384 2.247 0 40 DEAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 81705897 FUWMZNHORVFLFZ-SJLPKXTDSA-N 324.380 2.423 0 40 DEAB Cc1cc(C)n([C@H]2CCCN(C(=O)COCC(F)(F)F)C2)n1 70008016 OKNKBECHMDYKIU-LBPRGKRZSA-N 319.327 2.242 0 40 DEAB Cn1cc([C@H]2CCCN2Cc2cn(-c3ccccc3)nn2)cn1 71797158 LSUOFFDDVKJQPS-QGZVFWFLSA-N 308.389 2.338 0 40 DEAB COc1cc(-c2nnc3n2N=C(C)CS3)cc(OC)c1OC 8400910 WCOOZLDWLCWYPS-UHFFFAOYSA-N 320.374 2.301 0 40 DEAB CCO[C@H]1CCCN(C(=O)Nc2cccnc2OCCOC)C1 69571325 GLOCMYVZXAFZHQ-ZDUSSCGKSA-N 323.393 2.140 0 40 DEAB CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)CC1 71835109 BCPANOAHZBVTQJ-DLBZAZTESA-N 300.402 2.098 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCc2ccc(F)cc21 71883449 WGMPCEQIBGPSLM-BMIGLBTASA-N 316.332 2.341 0 40 DEAB O=C(NC[C@@H](O)COCc1ccccc1)c1ccc2cc[nH]c2c1 71856854 XRVQJNWTAUZLML-QGZVFWFLSA-N 324.380 2.475 0 40 DEAB C[C@H]1COC[C@H](C)N1C(=O)c1ccc(C(=O)NC(C)(C)C)cc1 72293404 LAUMYCOVBQBJKG-STQMWFEESA-N 318.417 2.464 0 40 DEAB NC(=O)NC(=O)CN1CCC[C@H]1Cc1cccc2ccccc12 84598386 VMUNMAZBFANLIN-HNNXBMFYSA-N 311.385 2.042 0 40 DEAB CCc1n[nH]c(NC(=O)Cc2cc(C)on2)c1Br 95427244 RANAVPRKNFTGDF-UHFFFAOYSA-N 313.155 2.212 0 40 DEAB CCOC[C@H]1CCN(C(=O)NC[C@@H](C)c2c(C)noc2C)C1 95434965 JWNVUCWQRGPSSA-RISCZKNCSA-N 309.410 2.463 0 40 DEAB C[C@@H](OCC1CC1)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 95424130 MQMSWWQDJRVAKG-QMTHXVAHSA-N 309.337 2.273 0 40 DEAB c1ccc(-c2nnc3n2CCN(c2nc(C4CC4)no2)C3)cc1 95404386 ILMSYLGAMFUCOF-UHFFFAOYSA-N 308.345 2.226 0 40 DEAB N[C@@H](Cc1ccccc1)C(=O)N1CCC(C(F)(F)F)CC1 88420745 QSZSYBSRIOCTRA-ZDUSSCGKSA-N 300.324 2.357 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)NCCc1ccco1 95953172 AYPDSKXPOWVGAQ-UHFFFAOYSA-N 314.370 2.474 0 40 DEAB COc1ccc(C(=O)N(C)Cc2nc([C@H](C)OC)no2)c(F)c1 75092473 YXLSWLPUPQPRGM-VIFPVBQESA-N 323.324 2.197 0 40 DEAB COc1ccc2[nH]cc(C(=O)Nc3nccs3)c(=O)c2c1 39962750 RXKQUYZVNGKHGO-UHFFFAOYSA-N 301.327 2.246 0 40 DEAB CC(C)(C)OC(=O)N[C@@](CCC(=O)O)(C(=O)O)C(C)(C)C 64219655 UMLRIKPLYRMRGT-AWEZNQCLSA-N 303.355 2.245 0 40 DEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cccn2C)C1 548345802 PZCWYMMIEHALOQ-INIZCTEOSA-N 318.446 2.027 0 40 DEAB Cc1cc(C(=O)N2C[C@H]3OC[C@@H](CN4CCCC4)[C@H]3C2)c(C)o1 306127812 GIFANTIDSYLENG-DJIMGWMZSA-N 318.417 2.079 0 40 DEAB COc1ccc(C2=N/C(=C/c3ccc(O)cc3O)C(=O)O2)cc1 408838843 JDXJHFYSBXWGBX-RIYZIHGNSA-N 311.293 2.451 0 40 DEAB CNC(=O)c1ccc(C)c(NC(=O)c2cn(C)nc2C(F)F)c1 535118749 ZRSONZZAQDKCBJ-UHFFFAOYSA-N 322.315 2.278 0 40 DEAB COCCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)o1 70635620 DQCJLEWHVIXESN-UHFFFAOYSA-N 314.301 2.166 0 40 DEAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccon2)C1=O 76423373 CHNBNEMDNMMMDT-INIZCTEOSA-N 311.297 2.388 0 40 DEAB Cc1cc(C)nc(N2CCC(c3cncc(N(C)C)n3)CC2)n1 72369189 VZOGEHPISNENPA-UHFFFAOYSA-N 312.421 2.333 0 40 DEAB O=S(=O)(Oc1cccc(-n2cncn2)c1)c1ccccc1F 76832961 SIOAFOXFOAARFT-UHFFFAOYSA-N 319.317 2.174 0 40 DEAB O=S(=O)(C[C@@H]1CCCO1)c1ccc(Br)cc1 60917540 PGQGWSSLGHVGIG-JTQLQIEISA-N 305.193 2.402 0 40 DEAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2cnn3C2CCNCC2)C1 228923277 PADNVIDOLHOIIB-BETUJISGSA-N 314.437 2.233 0 40 DEAB Cc1ccncc1NC(=O)COc1cccc2c1NC(=O)CC2 226853693 GLPYLMBDZGGMDP-UHFFFAOYSA-N 311.341 2.292 0 40 DEAB CN(C)c1nccc(CNC(=O)c2ccccc2C(F)(F)F)n1 224235764 XXCPHOZCBORSBP-UHFFFAOYSA-N 324.306 2.491 0 40 DEAB CCN(Cc1cccc(F)c1)S(=O)(=O)[C@H]1CCO[C@@H]1C 135499809 VRSYQROCHOHHMC-RISCZKNCSA-N 301.383 2.155 0 40 DEAB COc1csc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c1 192991496 JKNJNTVDHYVJLH-UHFFFAOYSA-N 309.347 2.025 0 40 DEAB C[C@H]1CCSCCN1C(=O)N[C@H](C)c1nnc2ccccn12 190631331 VAMUOXNZDKEPPO-NWDGAFQWSA-N 319.434 2.327 0 40 DEAB CCN(CC)C(=O)c1ccc(OC(=O)c2cnn(C)c2)cc1 96442559 KDEFTJNXUJXTIK-UHFFFAOYSA-N 301.346 2.121 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1cnn(-c2ccccc2)c1Cl 95117419 MFSJIQRATYECNV-LBPRGKRZSA-N 305.765 2.435 0 40 DEAB CN(C)c1cc(C(=O)N2CCSc3ncccc32)ccn1 96425388 NDUZZZOCLQFBQD-UHFFFAOYSA-N 300.387 2.295 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ccoc1C 96439378 NUEHGFYTCAYHCC-SNVBAGLBSA-N 304.394 2.369 0 40 DEAB C[C@@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)[C@H]1CCCCO1 332828169 NPYAOPNHKFEYCM-TZMCWYRMSA-N 306.410 2.256 0 40 DEAB CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3ccc(F)cc3)CC2)O1 96061134 CGOJBMXTSOEDIP-INIZCTEOSA-N 320.408 2.428 0 40 DEAB Cn1cccc1[C@H]1COCCN1Cc1nc(-c2ccco2)no1 97379609 NLYXEYJBCGCUFB-CYBMUJFWSA-N 314.345 2.242 0 40 DEAB Cc1cccn2c(=O)c(C(=O)OCCc3ccsc3)cnc12 91090746 GIMFACXFKXBWAS-UHFFFAOYSA-N 314.366 2.464 0 40 DEAB O=C(N[C@@H]1Cc2ccccc2NC1=O)c1coc2c1C(=O)CCC2 529947715 KEHDCFVAHQOKRY-CYBMUJFWSA-N 324.336 2.092 0 40 DEAB CNc1cc(CC[C@H]2CN(Cc3cscn3)CCO2)ccn1 257225867 FIFANERYFGTODH-HNNXBMFYSA-N 318.446 2.413 0 40 DEAB Cc1nsc2ncn(C[C@@H](O)c3c(F)cccc3F)c(=O)c12 252492097 MCNXJDKRBCONIM-SNVBAGLBSA-N 323.324 2.173 0 40 DEAB Cc1ccccc1CC(=O)N1CC[C@@H]2[C@@H](CCCC(=O)N2C)C1 257250971 JOURKEWQGMNBML-DLBZAZTESA-N 314.429 2.397 0 40 DEAB Cc1cc(CCNC(=O)c2ccccc2Br)nn1C 253408690 YMNYWQGMINSIFO-UHFFFAOYSA-N 322.206 2.464 0 40 DEAB COc1ccc(OCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 257218645 DDYOMOKNBCTXOP-ZDUSSCGKSA-N 315.373 2.203 0 40 DEAB CN(C)c1ccc([C@@H](O)CNC(=O)Cc2cccs2)cc1 90611653 ZWCUDTGESHCXMZ-HNNXBMFYSA-N 304.415 2.206 0 40 DEAB Cc1cc(C)n(-c2cc(NC(=O)c3cc(C4CC4)on3)ncn2)n1 96119974 FSDSNLGXBAMTHA-UHFFFAOYSA-N 324.344 2.397 0 40 DEAB O[C@H]1CCN(Cc2cnccn2)C[C@H]1Cc1ccccc1F 585275119 XJKIFGHCGJCWPZ-PBHICJAKSA-N 301.365 2.041 0 40 DEAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 48277444 PHBQMVAXQXJPHR-NSHDSACASA-N 324.340 2.427 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@@H](c3ccncc3)C2)cc1 1084449348 LNVXYXDQIGQONA-QGZVFWFLSA-N 312.369 2.233 0 40 DEAB O=C(c1c(Cl)nc2ccccn12)N1CCO[C@@H]2CCC[C@H]21 56195454 KWRCBBQUSZVLFW-GHMZBOCLSA-N 305.765 2.381 0 40 DEAB Cc1cnn(CC(=O)NCc2ccsc2-n2cccc2)c1 57356363 PIBHBAGJVYJHNV-UHFFFAOYSA-N 300.387 2.360 0 40 DEAB CN1CCCC[C@H]1CN1CCN(Cc2ccc(Cl)nc2)CC1 71892871 MXIHLEJLDBAMCW-INIZCTEOSA-N 322.884 2.337 0 40 DEAB O=C1[C@H](N[C@@H]2CCC[C@H]3OCC[C@H]23)CCN1c1ccccc1 98019379 FMGPWVVGYAXRFL-QBPKDAKJSA-N 300.402 2.339 0 40 DEAB Cc1cc(C(=O)OCCc2cccnc2)ccc1-n1cncn1 78948205 RLIWKDWFLMUOJK-UHFFFAOYSA-N 308.341 2.370 0 40 DEAB C[C@H](OC1CCCCCC1)C(=O)N1CCC(OCCO)CC1 95459255 CGSSSCKLGCJUFO-AWEZNQCLSA-N 313.438 2.114 0 40 DEAB Cc1cccc(C(=O)NC[C@@H]2CCN(C)C2)c1Br 160654528 JPQVNRYUPNYOCV-NSHDSACASA-N 311.223 2.439 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@@H]2C3)cc1 169295614 PKVQQARSPCWFPN-LALPHHSUSA-N 320.414 2.088 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 214714 ZBZCASVMQIQUTN-RFGFWPKPSA-N 303.358 2.374 0 40 DEAB COC(=O)c1c[nH]nc1S(=O)(=O)Nc1cccc(C(C)C)c1 48991470 FPVCXOMMFSMYJY-UHFFFAOYSA-N 323.374 2.121 0 40 DEAB O=C(Cc1cccnc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575609911 BEWUZJMGKOKNTR-CYBMUJFWSA-N 317.776 2.352 0 40 DEAB CC[C@H](C)NC(=O)Cn1c([C@H]2CCCNC2)cc2cccnc21 19499978 GQZZUIPODBVWTQ-ZFWWWQNUSA-N 314.433 2.418 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)NC[C@@H](O)c1cccs1 75156072 LXBYRDFVQHJRLC-AORWBKJGSA-N 309.412 2.372 0 40 DEAB CSc1ncccc1C(=O)NC[C@@]1(O)CCc2ccccc21 77179960 FCNVOVKCZIJUKS-KRWDZBQOSA-N 314.410 2.367 0 40 DEAB NC[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 50245784 ZMOAQZCHFLYAII-MRVPVSSYSA-N 301.159 2.009 0 40 DEAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)c2c(=O)[nH]n(C)c2n1 31781266 JAIUSRBBQALHGS-UHFFFAOYSA-N 322.368 2.311 0 40 DEAB CCOCCCC(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 40540863 PVUCJTDHDCLSQI-CQSZACIVSA-N 316.405 2.252 0 40 DEAB CCn1cnnc1CNC(=O)c1ccc(OC(F)(F)F)cc1 40535102 YBTGNCMIDJLUCD-UHFFFAOYSA-N 314.267 2.127 0 40 DEAB C[C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)OCO4)C[C@@H](C)O1 20610110 MWCWHPXKIQVACZ-PHIMTYICSA-N 317.341 2.131 0 40 DEAB biogenic CC(C)C(=O)Nc1cc(C(=O)NCc2ccc(F)cc2)nn1C 46089071 JNLKXOBVJZWXPY-UHFFFAOYSA-N 318.352 2.084 0 40 DEAB CC(=O)N(C)CC(=O)NCC(c1ccccc1)c1ccccc1 46150446 VBRAAKXYDZFCFU-UHFFFAOYSA-N 310.397 2.413 0 40 DEAB CC(=O)Nc1nc(C(=O)NCCc2ccc(F)cc2)cs1 32659678 OJAIUJQZQVDQBA-UHFFFAOYSA-N 307.350 2.213 0 40 DEAB COc1ccc2nc(NC(CN(C)C)CN(C)C)ccc2c1 1596766 WHDHZNZIZJZPMF-UHFFFAOYSA-N 302.422 2.147 0 40 DEAB C[C@H](OC(=O)c1cccc2c1O[C@H](C)[C@H]2C)C(=O)NC1CC1 32829385 TYOCYSHXICTDDP-MXWKQRLJSA-N 303.358 2.395 0 40 DEAB CN(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 3634326 PYTNLSZCOMMFBA-PKIAMQTDSA-N 300.358 2.214 0 40 DEAB CN(C)c1ncccc1C(=O)OCc1nc(N)c2ccccc2n1 46452685 OJTFKMTYRCKSDF-UHFFFAOYSA-N 323.356 2.030 0 40 DEAB Cn1ncc2c(=O)[nH]c(CN3CCC[C@H]3c3ccsc3)nc21 52828005 QYOIYZWRXISUPI-LBPRGKRZSA-N 315.402 2.055 0 40 DEAB C[C@@H](OC(=O)CCc1ncc(-c2ccccc2Cl)o1)C(N)=O 12254225 ALWHDGFVYQCIKE-SECBINFHSA-N 322.748 2.345 0 40 DEAB O=C(c1nnc2sc(-c3ccccc3)nn12)N1CCCCC1 57354653 CEFGSMGBQINBDZ-UHFFFAOYSA-N 313.386 2.479 0 40 DEAB CN1C[C@H](NC(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)CCC1=O 110615002 IAMWTDHGDGDSRX-RDBSUJKOSA-N 321.808 2.116 0 40 DEAB O=C(NCCNC(=O)c1ccc(F)cc1F)c1ccc(F)cc1 55624902 JEBUHVDQRHDXSL-UHFFFAOYSA-N 322.286 2.264 0 40 DEAB CCN1CCC(CNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)CC1 57000703 VCVRFIIMJKWZNI-SUMWQHHRSA-N 318.417 2.063 0 40 DEAB CCN1CCC(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)CC1 57000499 WCYNOEQYWCMORN-INIZCTEOSA-N 322.836 2.492 0 40 DEAB Cc1cc(C(=O)CCC(=O)N2CCC(C(N)=O)CC2)c(C)s1 26536539 WGVAZDRCEWBGQL-UHFFFAOYSA-N 322.430 2.052 0 40 DEAB O=C(COC(=O)c1cc(Cl)ccc1O)NCc1ccco1 3248038 OEPVMISDQRRARQ-UHFFFAOYSA-N 309.705 2.112 0 40 DEAB Cc1cc(=O)oc2cc(NC(=O)NC[C@@H]3CCCN3C)ccc12 58003911 DZFTXTVUHNSFBV-ZDUSSCGKSA-N 315.373 2.317 0 40 DEAB CCOC(=O)CCC(=O)N1CCC(Cn2nc(C)cc2C)CC1 62017826 PHTABFWKWRPPMJ-UHFFFAOYSA-N 321.421 2.082 0 40 DEAB Cc1c(-c2ccccc2)sc2ncn(CCC(N)=O)c(=O)c12 10374357 ALWWWOIYYGJVFH-UHFFFAOYSA-N 313.382 2.309 0 40 DEAB NC(=O)[C@@H](NCCc1ccn(-c2ccccc2)n1)c1ccccc1 58343754 LNTWTFCEVAJQCD-SFHVURJKSA-N 320.396 2.231 0 40 DEAB NC(=O)[C@@H](OC(=O)c1cc(O)nc2ccccc12)c1ccccc1 11331910 FHXWHCUSTNRHJY-INIZCTEOSA-N 322.320 2.324 0 40 DEAB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1C 409385093 HMBZFQKESAYKJB-UMPJEAMMSA-N 301.342 2.286 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)Cc2cccc(F)c2)C[C@@H](C)O1 21049564 UPZNOXIXYYXMRJ-OKILXGFUSA-N 322.424 2.372 0 40 DEAB C[C@@H](C(=O)Nc1cccc(-c2nccs2)c1)S(C)(=O)=O 48802976 RWOIEWHLEIFRIB-VIFPVBQESA-N 310.400 2.182 0 40 DEAB CCN(CC)C(=O)[C@H](c1ccccc1)N1CCc2cncnc2C1 69568454 PCCIWPZLOFCXFM-SFHVURJKSA-N 324.428 2.444 0 40 DEAB COC(=O)[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 69537079 OSQSZZLJDGDIRX-CVEARBPZSA-N 311.337 2.021 0 40 DEAB C[C@H](NC(=O)[C@H](C)S(C)(=O)=O)c1ccc(F)c(Cl)c1 48927319 NLNNIGDRLYDJJQ-YUMQZZPRSA-N 307.774 2.089 0 40 DEAB CN(CC(=O)N(C)c1ccccc1)C[C@@H](O)c1ccc(F)cc1 69582428 WDWXKGPMVPRITQ-QGZVFWFLSA-N 316.376 2.454 0 40 DEAB CC(=O)N[C@H](C)C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1 69769825 FTZBUSDYFLIWFW-SNVBAGLBSA-N 317.320 2.476 0 40 DEAB Cc1cnn(CCNc2ccc3nnc(-c4ccccc4)n3n2)c1 69743094 FBXNMKQJMHBBSD-UHFFFAOYSA-N 319.372 2.408 0 40 DEAB CN(CC1CCN(C(=O)NC2CC2)CC1)C(=O)OC(C)(C)C 69700470 JNEOAWXKGIUOLS-UHFFFAOYSA-N 311.426 2.437 0 40 DEAB O=C(COC(=O)CCc1ccccc1)NC(=O)c1ccccc1 5367768 MCULUDIHJYLVFK-UHFFFAOYSA-N 311.337 2.119 0 40 DEAB CC(C)[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)NC(N)=O 6436846 AHTBIACRGFXPSA-CYBMUJFWSA-N 324.402 2.160 0 40 DEAB CC(C)(C)c1ccc(=O)n(C[C@@H](O)COCc2ccccc2)n1 66969284 XIKOSLSAMIQYLM-OAHLLOKOSA-N 316.401 2.119 0 40 DEAB CCCc1nn2c(=O)c(NC(=O)c3ccccc3)cnc2s1 4936981 PBSYNGQZRZVKLC-UHFFFAOYSA-N 314.370 2.356 0 40 DEAB C[C@@H](CCc1ccco1)N[C@H]1CCCN(c2ccn(C)n2)C1=O 90115980 AJVUUMTZESNQJS-ZFWWWQNUSA-N 316.405 2.119 0 40 DEAB COc1ccc(NC(=O)CCNC(=O)c2cccc(C)c2)cn1 15616795 XFRVXBQXGKBJLM-UHFFFAOYSA-N 313.357 2.157 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccncc1 69045912 SUIRSJYXXLFXJY-CZUORRHYSA-N 324.384 2.247 0 40 DEAB CC(=O)NCC(=O)N(CC(C)C)[C@@H]1CCCc2cccnc21 97097139 AKNBOTMRFYCIOE-OAHLLOKOSA-N 303.406 2.080 0 40 DEAB C[C@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@H](C(F)(F)F)C1 83888601 SCOYIRCLWZQCJC-ONGXEEELSA-N 318.295 2.199 0 40 DEAB C[C@@H]1CN([C@@H](CNCc2ncc[nH]2)c2cccs2)CCO1 72273394 PLBBJZPHIIPILA-OLZOCXBDSA-N 306.435 2.023 0 40 DEAB CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](CC)CN2CCCC2)C1 72288378 QRIZQCGLZCFIMY-HOTGVXAUSA-N 323.481 2.016 0 40 DEAB CCOCC(=O)Nc1ccc(CN2CCOCC2)c(Cl)c1 96502231 GTKJTLBQQCYWSI-UHFFFAOYSA-N 312.797 2.147 0 40 DEAB COc1ccccc1[C@H]1CCCN1CC(=O)Nc1nncs1 71900537 PKTNPGAAXPITNH-GFCCVEGCSA-N 318.402 2.322 0 40 DEAB CCn1nc(C)cc1C(=O)NC[C@@](C)(O)c1ccc(F)cc1F 71907929 OPNOEOLJCIOZEF-MRXNPFEDSA-N 323.343 2.127 0 40 DEAB Cn1cc([C@@H]2C[C@@H]2C(=O)NCc2ncc(-c3ccccc3)o2)cn1 84317842 KRFZLMOFIZQPQG-GJZGRUSLSA-N 322.368 2.495 0 40 DEAB CCCc1nn(Cc2nnc(-c3ccccc3)s2)c(=O)o1 97379814 BFKQWTZTVGQMBV-UHFFFAOYSA-N 302.359 2.356 0 40 DEAB C[C@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccncc1 97370715 LYDJBNOSDBYJAY-NSHDSACASA-N 305.328 2.327 0 40 DEAB CS[C@@H](C)CNC(=O)N1CCCN(CC(F)(F)F)CC1 95434958 FGVIEWAFWVPGBC-JTQLQIEISA-N 313.389 2.018 0 40 DEAB CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cn2cccnc2n1 95423371 MHPOQFNDKLKDTO-KGLIPLIRSA-N 316.405 2.395 0 40 DEAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)cc1 85413445 ZIDSDMVIJGGWPC-ZFWWWQNUSA-N 316.309 2.023 0 40 DEAB CC(C)(NC(=O)Cc1noc2ccccc12)C(C)(C)C(=O)O 95961150 UOIFOJLGEKYDHO-UHFFFAOYSA-N 304.346 2.376 0 40 DEAB O=C(NC[C@@H]1CCCS1)N1CCc2ccccc2[C@@H]1CO 95966620 ZGVFENGXSIBCSB-ZFWWWQNUSA-N 306.431 2.183 0 40 DEAB Cc1cccc(CNS(=O)(=O)N2CCc3ccccc3C2)c1 23025641 ACEDERZMYKPBHW-UHFFFAOYSA-N 316.426 2.388 0 40 DEAB CN(CC(C)(CO)CO)C(=O)Nc1ccccc1C(F)(F)F 89895815 GOPRZTNJIREELC-UHFFFAOYSA-N 320.311 2.160 0 40 DEAB C[C@@H]1COC2(CCN(C(=O)c3ncoc3-c3ccco3)CC2)O1 89941316 ZZCIAFYLMQIKRS-LLVKDONJSA-N 318.329 2.302 0 40 DEAB CCOC(=O)c1c(SC)nn(C(=O)c2ccccc2)c1N 3851889 QGAXCECQXSSMAI-UHFFFAOYSA-N 305.359 2.052 0 40 DEAB biogenic CCN(CC(=O)O)C1CCN(Cc2ccc(F)c(F)c2)CC1 186693998 NZKBERFBQJDDRW-UHFFFAOYSA-N 312.360 2.336 0 40 DEAB COc1ccc(N2C(=O)[C@@H](C)NC2=S)cc1Br 72281182 DUOMJKLXJLSGRK-ZCFIWIBFSA-N 315.192 2.067 0 40 DEAB CC[C@H](C)n1nccc1NS(=O)(=O)c1cnn(C(C)C)c1 72239174 HNUHFYKVEMITGD-NSHDSACASA-N 311.411 2.432 0 40 DEAB CSc1nc(N2CCNCC2)c2c3c(sc2n1)CCC3 31814307 SMUKPGULKAZZTO-UHFFFAOYSA-N 306.460 2.312 0 40 DEAB O=C(O)CCN1CCN(C(=O)c2cccc3ccccc23)CC1 319631241 NUUIMJRSJFMSKL-UHFFFAOYSA-N 312.369 2.072 0 40 DEAB CC(=O)NC[C@@H]1CN(c2cccc(C(F)(F)F)c2)C(=O)O1 41178638 RSQBEZJFAHRIHI-LLVKDONJSA-N 302.252 2.167 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)O)o2)cc1 223407323 AGHOPPWAUUSCLJ-UHFFFAOYSA-N 309.343 2.107 0 40 DEAB COc1cc(CN2CCSC[C@H]2c2cnn(C)c2)ccc1O 195003063 MVEGPCJSVIVSFI-AWEZNQCLSA-N 319.430 2.424 0 40 DEAB O=C(NCCCS(=O)(=O)C1CCCCC1)C1CCCC1 96485845 MFGWVCFWFXWOED-UHFFFAOYSA-N 301.452 2.430 0 40 DEAB C[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)C1=CCN(C)CC1 332842700 VJZVOZKUTPXFKL-CJNGLKHVSA-N 317.437 2.297 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(C3CCC3)C[C@H]21 96100075 DTMHDJUBQHUSRV-IXDOHACOSA-N 318.417 2.175 0 40 DEAB O=C(NCCc1ccc(F)cc1F)N1CCCC[C@@H]1CCO 96493225 JSJMKSQXZYLFPU-CQSZACIVSA-N 312.360 2.454 0 40 DEAB O=C(c1cc(F)c(O)c(F)c1)N1CCCC[C@H]1[C@H]1CCNC1 333892048 YIVHMVRSWHUMRZ-HZMBPMFUSA-N 310.344 2.275 0 40 DEAB Cc1ccccc1N1C[C@]2(CCN(Cc3cncn3C)C2)CC1=O 96077421 IMXKQGHMYLBDGJ-LJQANCHMSA-N 324.428 2.358 0 40 DEAB CC(C)=CC(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O 96455960 JVWMMTJMQUEGGY-MRXNPFEDSA-N 300.402 2.303 0 40 DEAB CSc1cncc(N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 97095880 MUNXKXCMBIVMDG-GFCCVEGCSA-N 306.435 2.402 0 40 DEAB CCOC[C@H]1CN(CC2CCOCC2)Cc2cn(CC)nc21 96059925 XQFQVBBLXBHYPM-MRXNPFEDSA-N 307.438 2.265 0 40 DEAB Cc1cc(C(=O)NCCc2csc(C(C)(C)C)n2)n(C)n1 96487459 RKNNTEXKPRLUKC-UHFFFAOYSA-N 306.435 2.455 0 40 DEAB O=C1C[C@]2(CCN(CC3CC3)C2)CN1c1ccc2c(c1)OCO2 96050783 RRUSEBMYFNTBCB-SFHVURJKSA-N 314.385 2.254 0 40 DEAB O=C(Cc1ccccc1O)NC[C@H](O)c1ccccc1Cl 96419997 AWOBEHITGUPBEW-HNNXBMFYSA-N 305.761 2.438 0 40 DEAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CNC(=O)OCC(F)(F)F 96411693 PRNHAYNUPWTOKN-VWYCJHECSA-N 322.327 2.455 0 40 DEAB CC(C)NS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2C 96183081 ZXCGEKIPZNMQOV-UHFFFAOYSA-N 310.419 2.017 0 40 DEAB O=C(Cn1cc(Br)cn1)c1ccc2c(c1)CCO2 96413696 MILHJRJSQATNQK-UHFFFAOYSA-N 307.147 2.463 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N2CCN3CCC[C@@H]3C2)c(C)c1 96319199 PGEIZJSFZFELLW-JKSUJKDBSA-N 302.418 2.377 0 40 DEAB CN(C)[C@@H](CNC(=O)C[C@H]1CCCO1)c1c(F)cccc1F 96406391 RRWPVSHBFKDEOU-RISCZKNCSA-N 312.360 2.253 0 40 DEAB O=C(NCc1cccc(-n2cccn2)c1)C(F)(F)C1(O)CCC1 96486769 KROATDMDGJLWMO-UHFFFAOYSA-N 321.327 2.039 0 40 DEAB Cc1cncc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)c1 96229667 UYVTWXJIPBCJNJ-KRWDZBQOSA-N 301.390 2.007 0 40 DEAB c1ccc(CN2C[C@@H]3CN(Cc4nccs4)C[C@H]3C2)nc1 96053790 VLDMOJGVVURWNQ-ZIAGYGMSSA-N 300.431 2.102 0 40 DEAB Nc1nc([C@@H]2CCCN2C2CCOCC2)cc(C(F)(F)F)n1 257310223 UEFUPQOGJFGBJL-NSHDSACASA-N 316.327 2.394 0 40 DEAB COCCN1CCC(c2ccnc(Nc3ncccn3)c2)CC1 257233761 GQPVPJQGPYJGNZ-UHFFFAOYSA-N 313.405 2.441 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc3ccccc3[nH]2)[C@H]1O 257328054 XDXQUYJPVMOOLA-FVQBIDKESA-N 302.374 2.216 0 40 DEAB Cc1nn(C2CCCC2)cc1CNCCCN1CCOCC1 256054039 USJLILUURCUNAQ-UHFFFAOYSA-N 306.454 2.119 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2cc3ccc(F)cc3[nH]2)[C@H]1O 257221054 DNHSTIGZJMZEEC-BZUAXINKSA-N 320.364 2.307 0 40 DEAB CN(C)C(=O)[C@]1(c2cnccn2)CCCN1Cc1ccccc1 257289005 PWPFDBFCMLSUAS-GOSISDBHSA-N 310.401 2.056 0 40 DEAB COc1ccc2c(c1)sc(=NC(=O)c1cc(C)n(C)n1)n2C 252427610 UTOBYAFWHHCULA-UHFFFAOYSA-N 316.386 2.031 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257255090 KGBNFXBTSRHACX-HNNXBMFYSA-N 319.430 2.194 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2c(C)n[nH]c2C)n1 257231753 GIBFBKZIJTVTAL-AWEZNQCLSA-N 301.394 2.354 0 40 DEAB FC(F)(F)c1nnc2n1CCN(c1nc3ccccc3o1)C2 265835928 QZXAJHJGXRLGFG-UHFFFAOYSA-N 309.251 2.458 0 40 DEAB CC(C)N(C)CC1CCN(C(=O)[C@@H](C(=O)O)C2CCCC2)CC1 663094472 BNWSARDMSURMEF-INIZCTEOSA-N 324.465 2.456 0 40 DEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)CC2CC2)c1 49240296 FOAHJGCPHGNWHL-UHFFFAOYSA-N 317.794 2.157 0 40 DEAB Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 53357946 QXSVQWAQXQHDAZ-NEPJUHHUSA-N 324.808 2.140 0 40 DEAB Cc1c(C(=O)N2CCN3CCCC[C@@H]3C2)cnn1-c1ccccc1 71839892 RUMKASRLFLXTDQ-QGZVFWFLSA-N 324.428 2.491 0 40 DEAB O=C(Cn1cccn1)N1CCC(c2ccc3cccnc3n2)CC1 655265583 BJHPHLOQDVNFMJ-UHFFFAOYSA-N 321.384 2.233 0 40 DEAB CC(C)NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 3336578 HWKPVHAODLNODI-VMPITWQZSA-N 313.300 2.369 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1ccoc1C 19678697 JSKMSJMDJNBPBV-UHFFFAOYSA-N 322.386 2.399 0 40 DEAB Cc1cnc(N2CCC[C@@H](C(=O)N3CCSCC3)C2)s1 1889098072 HJSPPQLAEUBUPF-GFCCVEGCSA-N 311.476 2.243 0 40 DEAB O[C@@]1(CNc2ncc(Br)cn2)CCCc2occc21 1776000557 SZFXOJJUXRKKDV-CYBMUJFWSA-N 324.178 2.468 0 40 DEAB O=C(CSc1ccc(-c2ccccc2)nn1)N1CCOCC1 255229 IXLQTWLUGPOEJM-UHFFFAOYSA-N 315.398 2.095 0 40 DEAB COCCN1CCC(CNC(=O)CCc2ccccc2)CC1 23127928 ILRTXACOAGRRLP-UHFFFAOYSA-N 304.434 2.094 0 40 DEAB COc1ncccc1C(=O)N[C@H]1CCN(Cc2ccsc2)C1 618256992 NXGPSZFZBJMSBB-ZDUSSCGKSA-N 317.414 2.156 0 40 DEAB COC[C@H](C)N1C[C@@H](C(=O)Nc2cccc(C)c2C)CC1=O 8234837 ZDOTVJKJELELGW-JSGCOSHPSA-N 304.390 2.125 0 40 DEAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)N1CCc2ccccc21 30009829 WBDXQZSEJRPVBF-LLVKDONJSA-N 322.368 2.246 0 40 DEAB COC(=O)[C@@]1(O)CC(C(C)C)=NN1C(=O)c1ccc(Cl)cc1 67040 UQLPJCJMLCXHQP-HNNXBMFYSA-N 324.764 2.060 0 40 DEAB O=c1[nH]c(COc2ncnc3ccccc23)nc2ccccc12 40460682 JOZYPPZUERDKIU-UHFFFAOYSA-N 304.309 2.445 0 40 DEAB O=C1NC2(CCCCC2)C(=O)N1Cc1nc(-c2ccco2)no1 40493957 SZSKTGJRRJCBBB-UHFFFAOYSA-N 316.317 2.084 0 40 DEAB C[C@H](C(=O)N(C)Cc1ccccc1N1CCCC1)n1cncn1 40521015 QIDKVKZIZACMIV-CQSZACIVSA-N 313.405 2.098 0 40 DEAB CCC12CN3CC(C)(CN(C1)C31CC(C)(C)NC(C)(C)C1)[C@@H]2O 31807917 JRJSJTNALXNQSJ-NNGSBXSVSA-N 321.509 2.032 0 40 DEAB O=C(/C=C/c1nc2ccccc2[nH]1)NC(=O)c1ccccc1O 202033 SSSBZVUNAJYSBX-MDZDMXLPSA-N 307.309 2.238 0 40 DEAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)N1CCc2ccccc21 416461 RIVSXUCHGVIIQM-UHFFFAOYSA-N 323.331 2.069 0 40 DEAB C[C@@H](C(=O)N1CCCCC1)N(C)CC(=O)Nc1cccc(F)c1 3352667 VFOUXEOKKXUPSS-ZDUSSCGKSA-N 321.396 2.097 0 40 DEAB C=Cc1cccc2c1O[C@]1(C)NC(=S)N[C@H]2[C@H]1C(=O)OCC 6655816 PUVKVEHSIJXBBP-OZVIIMIRSA-N 318.398 2.136 0 40 DEAB CCOC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1 7709570 ZDIDHBLKYYKFAO-UHFFFAOYSA-N 324.358 2.269 0 40 DEAB CCOCCCC(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 47090214 FMHCAQUCVPXFSE-LLVKDONJSA-N 306.362 2.011 0 40 DEAB COc1ccc(/C=C/C(=O)N(CC(N)=O)C2CCCC2)cc1F 42092665 XBYXSBMGBWUPFZ-VQHVLOKHSA-N 320.364 2.104 0 40 DEAB O=c1/c(=C\c2ccc(F)cc2)sc2nc(-c3ccco3)nn12 33828371 WKTWWZOVNYEALC-XYOKQWHBSA-N 313.313 2.098 0 40 DEAB Cc1ccnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)c1 1259263 UBIGAWJXHYDQIB-UHFFFAOYSA-N 321.336 2.219 0 40 DEAB CCc1nnsc1C(=O)N(C)C[C@H]1COc2ccccc2O1 24663696 KEZVZTXVEBSJMD-JTQLQIEISA-N 319.386 2.013 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)[C@H]1CC(=O)Nc2ccccc21 24992197 FEXQWEAPRYLZRH-SWLSCSKDSA-N 324.384 2.040 0 40 DEAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1nccc(C(F)(F)F)n1 106518578 OWGATWBBSRZHBS-UTLUCORTSA-N 314.311 2.118 0 40 DEAB CC[C@H](CNC(=O)CCSc1nnnn1C)c1ccccc1 56256352 ABRGLCVEUYKCBR-GFCCVEGCSA-N 319.434 2.002 0 40 DEAB CC(=O)Nc1nc(C(=O)N[C@H]2CCOc3ccccc32)cs1 48099986 DPPHYKCQZVUQTM-NSHDSACASA-N 317.370 2.355 0 40 DEAB O=C1CCSc2ccc(C(=O)NC[C@H]3CCCO3)cc2N1 27394038 BDJRUILPIBSMRC-LLVKDONJSA-N 306.387 2.030 0 40 DEAB Cc1ccc(-n2nc(C)c(C(=O)N3CCOCC3)n2)cc1Cl 59843352 WVUXLQWERCZONP-UHFFFAOYSA-N 320.780 2.010 0 40 DEAB CC[C@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)CCO1 48138224 VDWZZGHESRYSQZ-ZDUSSCGKSA-N 317.414 2.385 0 40 DEAB CCc1noc(C)c1C(=O)Nc1ccc(-n2cc[nH]c2=O)cc1 58247080 ZTWDQSVHHPJGRB-UHFFFAOYSA-N 312.329 2.277 0 40 DEAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)[C@H]1CCCO1 27850321 FOGJFDIOBBWFLL-BXKDBHETSA-N 306.387 2.028 0 40 DEAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@H](C)C(=O)N(C)C 58391350 GPPQAQGPLRDMQQ-CYBMUJFWSA-N 316.405 2.087 0 40 DEAB COc1ccc(COC[C@H](O)CNC(=O)C[C@H]2C=CCC2)cc1 58401887 DQSZPDBYOXAZPS-GOEBONIOSA-N 319.401 2.045 0 40 DEAB CN(C)[C@H](CNC(=O)C1=Cc2ccccc2OC1)c1ccco1 48279831 LBCFGTFNWUAYOU-OAHLLOKOSA-N 312.369 2.475 0 40 DEAB CN(CC(=O)OCc1coc(-c2ccccc2)n1)c1ncccn1 36748451 KRXGCOXRNQQXDP-UHFFFAOYSA-N 324.340 2.311 0 40 DEAB COc1ccccc1C(=O)CNC(=O)NCc1cccs1 48333968 SBSANYKTJQSSPQ-UHFFFAOYSA-N 304.371 2.439 0 40 DEAB NC(=O)c1cnc(NC[C@H]2Cc3ccccc3O2)c(Cl)c1 48363089 CAPCQGHRSHVLRA-LLVKDONJSA-N 303.749 2.250 0 40 DEAB O=C1CN(C(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc2N1 3459355 BBOZCUOBXDSAEK-SOFGYWHQSA-N 322.320 2.414 0 40 DEAB CN(Cc1ccsc1)S(=O)(=O)c1ccsc1C(=O)O 12916225 AZXAUGQLLLQWSA-UHFFFAOYSA-N 317.413 2.329 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)n1 69528784 QJGCMICSAYKJLJ-ZIAGYGMSSA-N 320.437 2.040 0 40 DEAB COC[C@H](C)NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 69594126 LMQRKTAJOXFFIZ-MELADBBJSA-N 321.421 2.457 0 40 DEAB CN(CC1OCCO1)c1ncnc2c1[nH]c1ccc(F)cc12 5093770 IJTLKTVHCVJGMQ-UHFFFAOYSA-N 302.309 2.059 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1c2ccccc2C[C@H]1C 69816460 HKHSYZHPBKZKPE-BMIGLBTASA-N 319.430 2.249 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@@H]2c2cnn(C)c2)CC1 69632182 GVPNUJRGNBCIQZ-QGZVFWFLSA-N 318.465 2.452 0 40 DEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(F)c1 6349588 ZHMJWTCMOHHKAN-CYBMUJFWSA-N 302.309 2.269 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=S)n3C)C2)cn1 65605167 XJCVHNDNMQVHSU-GFCCVEGCSA-N 317.418 2.201 0 40 DEAB O=c1c2ccc(-c3nnc(S)o3)cc2nc2n1CCCCC2 6508249 GFKHMHSZGSXRNH-UHFFFAOYSA-N 314.370 2.462 0 40 DEAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1F)c1cccs1 14349161 AARQHJUSALYHEI-LBPRGKRZSA-N 321.377 2.303 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 6602585 DKZBIFPYENNFMJ-LBPRGKRZSA-N 319.382 2.496 0 40 DEAB Cc1cc(C(=O)NC2CC2)ccc1I 69972640 UVIXWLDPLPCWRH-UHFFFAOYSA-N 301.127 2.492 0 40 DEAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccnc1 8775081 MHAJDVZVYIUZAQ-LBPRGKRZSA-N 322.368 2.128 0 40 DEAB Cn1nnnc1S[C@H](C(=O)N1CCCCC1)c1ccccc1 7466143 PGEUEFYFQQOMSZ-ZDUSSCGKSA-N 317.418 2.056 0 40 DEAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@H]2CCCC[C@@H]21 8855747 LSIARFMQLDVYAW-CJNGLKHVSA-N 311.389 2.457 0 40 DEAB CC(C)CCC[C@H](C)NC(=O)CSc1nc(N)cc(N)n1 7692859 PKBVGOPLGQEZRB-JTQLQIEISA-N 311.455 2.064 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@@H]2COc3ccccc3O2)c1 7757191 IPHFCVINQOLFBZ-OAHLLOKOSA-N 312.369 2.322 0 40 DEAB CSc1nc2nc(CSc3ccccn3)cc(O)n2n1 9422761 QOCPBUSQMKBBDP-UHFFFAOYSA-N 305.388 2.239 0 40 DEAB Cc1ccc(-c2cnc(CCC(=O)NCC3(CO)CC3)o2)cc1 84171920 UXONKEFAYMIUMY-UHFFFAOYSA-N 314.385 2.471 0 40 DEAB Cc1nc(C(=O)NCc2cc[nH]n2)nn1-c1ccccc1C(C)C 71850957 ITRWJUDJPQGBMO-UHFFFAOYSA-N 324.388 2.352 0 40 DEAB Cc1cccc(NC(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)c1 97019021 GZKOQKVSIJLHPC-DLBZAZTESA-N 317.433 2.494 0 40 DEAB C[C@H](CNC(=O)c1ncc(C(C)(C)C)o1)CC1(C)OCCO1 72305943 RQKHYYFJUAODGX-NSHDSACASA-N 310.394 2.491 0 40 DEAB CCN(CCC(=O)O)C(=O)Cc1cccc(OC(F)F)c1 95424446 JHETXMGKUYFYCH-UHFFFAOYSA-N 301.289 2.154 0 40 DEAB CCSCc1ccnc(NC(=O)c2ccc(=O)n(C)c2)c1 95445876 BKSODGRLBKZPJL-UHFFFAOYSA-N 303.387 2.286 0 40 DEAB COc1ccsc1C(=O)N1CCC[C@@H](c2n[nH]c(C)n2)C1 79109421 DOHKCCICTRSBOT-SNVBAGLBSA-N 306.391 2.203 0 40 DEAB C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2sccc2c1 95966136 DVOFOYWFYTUDHM-SNVBAGLBSA-N 309.412 2.160 0 40 DEAB COC(=O)N1CCC(N[C@H]2CCc3ccc(OC)cc3C2)CC1 95973566 MJRVFUVKOCHVIN-INIZCTEOSA-N 318.417 2.373 0 40 DEAB CSC[C@H](C)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 95991663 OFLHKZBSZGGLGX-FMPXUHTOSA-N 301.452 2.424 0 40 DEAB C[C@@H](C(=O)O)N(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1 95970094 GAUQEZIONPWLRO-VIFPVBQESA-N 322.361 2.418 0 40 DEAB CC(C)Oc1ccc(Cl)cc1C(=O)N1CC(n2ccnn2)C1 95997915 QGAFXWKFVGRBLC-UHFFFAOYSA-N 320.780 2.416 0 40 DEAB O=C(NCCc1cccnc1)N1CCCC[C@@H](N2CCCC2)C1 89793960 YXXYSVWRBNHBNE-QGZVFWFLSA-N 316.449 2.284 0 40 DEAB CN1CC[C@@H](NC(=O)c2cc[nH]n2)[C@@H]1c1ccc(Cl)cc1 89996918 MCTPQFLEWGJXQM-OCCSQVGLSA-N 304.781 2.238 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc3c(s2)CC[C@H](C)C3)CC1 27475749 GAGFPMLEERQEAA-NSHDSACASA-N 306.431 2.177 0 40 DEAB CC(C)CNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 408623264 FBFFFLCHXXZNHH-UHFFFAOYSA-N 312.435 2.005 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306133253 MGTYKXFRUVABFD-CYBMUJFWSA-N 322.380 2.263 0 40 DEAB CC[C@H](C)n1cc(I)c(C(=O)OC)n1 72339406 BVGYJIXYCDDSHJ-LURJTMIESA-N 308.119 2.245 0 40 DEAB CCN1CCN(c2ccc(CNC(=O)OC(C)(C)C)cn2)CC1 72225542 PECKSQDYIBVXCU-UHFFFAOYSA-N 320.437 2.248 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 39976097 VYKQYLWZZKWARO-QMTHXVAHSA-N 310.344 2.390 0 40 DEAB COCCC(=O)NC[C@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 79358321 AWGNOBHWBBSXCR-QAPCUYQASA-N 320.433 2.231 0 40 DEAB Cc1cc2c(=O)n(CCO[C@H]3CCCCO3)cnc2cc1F 194720867 STLZZKZFQLCOMN-HNNXBMFYSA-N 306.337 2.387 0 40 DEAB Cn1c(COc2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O 40024287 DRHYFOWRKNEKFW-UHFFFAOYSA-N 322.364 2.330 0 40 DEAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccccn3)c2c1 225754095 WDCARRSNHXMTIK-UHFFFAOYSA-N 321.380 2.330 0 40 DEAB c1ccc2c(c1)NCCC[C@@H]2NC[C@@H]1COC2(CCOCC2)O1 193107926 ILYASXAJKXQGRL-PBHICJAKSA-N 318.417 2.445 0 40 DEAB C[C@H](C(=O)N[C@H](C)CO)c1ccc(C[C@@H]2CCCC2=O)cc1 575444026 RIWVCVGYZLJODS-WWGRRREGSA-N 303.402 2.199 0 40 DEAB COC(CN1CCO[C@H](c2nc(C(C)(C)C)cs2)C1)OC 136753166 ZDTINQPCKJERSR-NSHDSACASA-N 314.451 2.433 0 40 DEAB C[C@@H](NS(=O)(=O)N(C)C)c1ccc(-c2cccnc2)cc1 80820689 BPPXRZHGETVHNB-GFCCVEGCSA-N 305.403 2.206 0 40 DEAB Cn1ccc(C(=O)N(CC(F)F)c2ccc(F)cc2)cc1=O 193869486 LCLVZDLCWSPXNK-UHFFFAOYSA-N 310.275 2.436 0 40 DEAB CC(=O)N1CCC2(CC1)C(=O)N(C(C)C)c1c(F)cccc12 96261762 JSVATHSERXJPAR-UHFFFAOYSA-N 304.365 2.461 0 40 DEAB CCSc1cncc(N2CCC[C@@H](CN3CCOCC3)C2)n1 96429494 HIPSQPGDWPQMHK-AWEZNQCLSA-N 322.478 2.137 0 40 DEAB c1csc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)n1 96040596 PWRUBLUFPVKNJE-LZWOXQAQSA-N 307.463 2.218 0 40 DEAB CN([C@@H]1[C@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)c1cccs1 96419776 ROWPCBZKWBEWOS-JLLWLGSASA-N 301.433 2.182 0 40 DEAB CCC(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96040446 VETLYKFUVQIOFM-PBHICJAKSA-N 304.390 2.268 0 40 DEAB CC(C)Nc1ncccc1C(=O)N[C@@H]1CCCc2c1cnn2C 96427133 XOCQGNPLYZXSDT-CQSZACIVSA-N 313.405 2.443 0 40 DEAB CN(CC(C)(C)O)C(=O)NCc1ccc(Br)cc1 96462927 RKCRUQWPPNRKLI-UHFFFAOYSA-N 315.211 2.361 0 40 DEAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N[C@H](C)c1nc[nH]n1 96499798 LNQYOHDIKGHPTN-OCCSQVGLSA-N 301.394 2.495 0 40 DEAB c1cnc(N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)nc1 96047150 OJLLRNNOQXJNDW-INIZCTEOSA-N 315.446 2.426 0 40 DEAB c1ccc(O[C@H]2CO[C@@]3(CCN(Cc4csnn4)C3)C2)cc1 96072444 DLIRWSRVRFVMJO-CVEARBPZSA-N 317.414 2.351 0 40 DEAB c1cncc(N2CCOC[C@@]3(CCCN(CC4CC4)C3)C2)c1 96049578 XFJYGRCMGSTHQW-GOSISDBHSA-N 301.434 2.410 0 40 DEAB Cc1cncc(NC(=O)C(=O)NCCC2Cc3ccccc3C2)c1 95440905 BDKQHIRQZFIDCL-UHFFFAOYSA-N 323.396 2.250 0 40 DEAB Fc1cccc(CN2C[C@@H]3CN(C[C@@H]4CCOC4)C[C@@H]3C2)c1 96161706 WDBOVLFGDAPXCF-YESZJQIVSA-N 304.409 2.226 0 40 DEAB CCCCc1cc(C(=O)N2CCC[C@]3(C)NCCC[C@@H]23)[nH]n1 257260120 LBJOFYFGELDOPJ-WBVHZDCISA-N 304.438 2.499 0 40 DEAB O=C(Cc1cccc(Cl)c1)N1CC[C@H](O)[C@]2(CCCO2)C1 257205201 AYBDLYSQVDWEFV-HOCLYGCPSA-N 309.793 2.025 0 40 DEAB CN(C)c1ncc(CN2CCC[C@H](c3nccs3)C2)cn1 257205477 AZGJANAIRZTEIM-ZDUSSCGKSA-N 303.435 2.379 0 40 DEAB CC(C)(C)C(=O)N1CC[C@H](Cc2nccnc2-c2cc[nH]n2)C1 257277774 NZHVXYJWNNEZFO-GFCCVEGCSA-N 313.405 2.304 0 40 DEAB Cc1cccc(N2CCC[C@H](NC(=O)c3cscn3)C2)n1 257306966 SWSVQNDKOJPEFR-LBPRGKRZSA-N 302.403 2.245 0 40 DEAB Cc1cnc2n1C[C@H](c1ccccc1)N(C(=O)Cn1cccn1)C2 257341933 ZMMBAEIJAQMZPZ-MRXNPFEDSA-N 321.384 2.172 0 40 DEAB CC(=O)N[C@H]1CCCN(Cc2cnc[nH]2)[C@H]1Cc1ccccc1 585275116 XDWLGRJWDVFWCI-ROUUACIJSA-N 312.417 2.122 0 40 DEAB NC(=O)CC1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 49396109 LUXCEONHIZWBGO-UHFFFAOYSA-N 300.402 2.222 0 40 DEAB Cc1cc(N(C)C)ccc1NC(=O)N[C@@H](C)c1nncn1C 79464945 GUMRFNZHQGZSPW-NSHDSACASA-N 302.382 2.072 0 40 DEAB COc1ccc(CNC(=O)N2CC(OCC(F)(F)F)C2)cc1 585365789 YHXPWEHDJAOJFE-UHFFFAOYSA-N 318.295 2.168 0 40 DEAB CCOCCc1nnc(NC(=O)Cc2ccc(F)cc2)s1 5001138 VNCZUMVIRLVKQE-UHFFFAOYSA-N 309.366 2.437 0 40 DEAB O=C1NCCCC[C@H]1NCc1csc(Br)c1 35255884 FCPMEORZUKHWOQ-SECBINFHSA-N 303.225 2.269 0 40 DEAB Cc1cccc(CC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)c1 19234712 JJUNWDXMYVKONN-OAHLLOKOSA-N 311.385 2.293 0 40 DEAB CSc1ccc([C@@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1 19962469 XUUJTJGNQWBTEJ-LBPRGKRZSA-N 302.359 2.292 0 40 DEAB Cc1cc(=N)[nH]c([C@]2(C)CCCN2C(=O)c2ncccc2C)n1 607853547 PQYJDOGVFFSQED-KRWDZBQOSA-N 311.389 2.052 0 40 DEAB CCOc1ccccc1CCC(=O)N1CC[C@@H](n2nccn2)C1 253472161 JWCXJAPKFCRPNK-OAHLLOKOSA-N 314.389 2.083 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505627 NMJYHTKDELQMKM-CHWSQXEVSA-N 321.421 2.031 0 40 DEAB CC(C)c1nc2ccccc2n1C1CN(c2cc(=O)n(C)cn2)C1 1888875601 ODZHDVVQCPUZGS-UHFFFAOYSA-N 323.400 2.315 0 40 DEAB O=C([C@H]1CN(Cc2cccc(Cl)c2)CCO1)N1CCCC1 1889128252 CVGAFEHTTREENY-OAHLLOKOSA-N 308.809 2.163 0 40 DEAB C[C@@H](OC(=O)c1cc2ccccc2s1)C(=O)N1CCOCC1 14121708 RCKYBPXFXDLVGE-LLVKDONJSA-N 319.382 2.305 0 40 DEAB CN1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)CC1=O 1565544576 NLXNUDZCEPZYDH-SNAWJCMRSA-N 304.415 2.232 0 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Cc1nc(CN(C)[C@@H]2CCN(Cc3sc(C)nc3C)C2)no1 76047367 JCDZDYLDQOTTJC-CYBMUJFWSA-N 321.450 2.158 0 40 DEAB Cn1cc([C@@H](O)CNC(=O)NCc2cccc3ccccc23)cn1 76085734 WIIMRMHAUGLBSD-KRWDZBQOSA-N 324.384 2.106 0 40 DEAB O=S(=O)(NCC[C@@H]1CCCO1)c1ccc2c(c1)CCCC2 24433348 AFSLCMZHVATDSF-HNNXBMFYSA-N 309.431 2.413 0 40 DEAB Cc1ccc(NC(=O)[C@H](NC(=O)C2CCNCC2)C(C)C)cc1 25107885 BSPGUBABZMLWFX-MRXNPFEDSA-N 317.433 2.074 0 40 DEAB C[C@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccccn1 25406030 SBJNTXAHKXNLTE-AWEZNQCLSA-N 311.385 2.008 0 40 DEAB C[C@@H]1OCC[C@H]1S(=O)(=O)[C@H](C)c1nc(C(C)(C)C)no1 108360889 DIFOJUKAJBCKQG-IVZWLZJFSA-N 302.396 2.020 0 40 DEAB COC(=O)c1ccc(NC(=O)Cc2cn3ccccc3n2)cc1 12525566 AQBLPTGRAKZXTR-UHFFFAOYSA-N 309.325 2.302 0 40 DEAB COc1ccccc1CNC(=O)N[C@H](C)COCC(F)(F)F 58108938 NWCSUGYTFSOOMX-SNVBAGLBSA-N 320.311 2.462 0 40 DEAB O=C(c1ccc(O)nn1)N1CCC[C@H]1c1nc2ccccc2[nH]1 44890434 DTMQRVHRMWRVCT-ZDUSSCGKSA-N 309.329 2.036 0 40 DEAB COc1c(C)c2c(c3c1C[C@H]([C@]1(C)CCC(=O)O1)O3)C(=O)OC2 67665242 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316.332 2.214 0 40 DEAB COc1cccc(CC(=O)NCc2ccc(C(C)=O)c(C)n2)c1 95977930 JJSOZUHSMCTJTE-UHFFFAOYSA-N 312.369 2.460 0 40 DEAB O=C(Cn1ccnn1)Nc1ccnn1[C@@H]1CCCc2ccccc21 75105047 UWQDEFJQZSGCAD-OAHLLOKOSA-N 322.372 2.039 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccncc2)C1 67802640 PNXRHIQORKGFPV-ZDUSSCGKSA-N 305.378 2.211 0 40 DEAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCO)cc1 408677132 QETVLPMSHINEES-UHFFFAOYSA-N 322.364 2.206 0 40 DEAB O=C(Nc1cc2ccccn2n1)N1CCCC[C@@H]1c1ncc[nH]1 554534979 OZZQWVKEOFZHEM-CYBMUJFWSA-N 310.361 2.817 0 40 DEAB Cn1nccc1C1CCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 515419657 SKVWVZHLXLOFQI-UHFFFAOYSA-N 323.400 2.245 0 40 DEAB C[C@H](c1cccnc1)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 76981089 CBTYAHNGNQOIGX-CJNGLKHVSA-N 302.422 2.268 0 40 DEAB CO[C@H](C(=O)NCCc1ccc2c(c1)OCO2)c1ccccc1 127328182 OUEPDLLUXSCRCC-KRWDZBQOSA-N 313.353 2.462 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3ccccn3)cn2)n1 32657782 MAJCZPFSNHVFDH-UHFFFAOYSA-N 321.384 2.252 0 40 DEAB COc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)cc1 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CCS[C@@H]1CCC[C@@H](NS(=O)(=O)c2cnn(CC)c2)C1 96452728 SUDMIEYHFJHOAI-VXGBXAGGSA-N 317.480 2.246 0 40 DEAB CCc1ccc([C@H](NCC(=O)N2CCNC2=O)C(C)(C)C)o1 96491814 MCYDBTCCOXRRAC-AWEZNQCLSA-N 307.394 2.071 0 40 DEAB CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc(F)cc1 96519669 NGAJORZBXIXMRO-VIFPVBQESA-N 301.166 2.425 0 40 DEAB O=C(O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 238187610 RULDSIJJUPSLDW-GFCCVEGCSA-N 316.357 2.186 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)n1 257210950 BWVNXCUZNJOIST-LBPRGKRZSA-N 304.419 2.350 0 40 DEAB Cc1ocnc1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257236527 HCPBXFLNZZGVSB-INIZCTEOSA-N 316.361 2.119 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCC[C@H]3NCCCC[C@@H]32)c1 257210036 BSVUCXRWYPROHT-SJORKVTESA-N 318.417 2.451 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)Cc3csc(C)n3)CCO2)ccn1 257208235 BLHCXNGYFBNTCN-HNNXBMFYSA-N 317.414 2.298 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCSCC1 43166993 HDYFNZGDRUKLAS-CYBMUJFWSA-N 309.435 2.175 0 40 DEAB Cc1noc(C(C)(C)NC(=O)Nc2nnc(C(F)F)s2)n1 284536409 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CCOc1ccc(CC(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1 245053430 OUACYQWFVKPEHK-OIISXLGYSA-N 319.401 2.081 0 40 DEAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc2ncsc2c1 253408297 XKTFRJRQGLHGML-MRVWCRGKSA-N 318.398 2.363 0 40 DEAB Cc1cc(NC(=S)NC(=O)CC(C)C)cc(C(=O)O)c1O 20151383 WWRSRWNRERFSHW-UHFFFAOYSA-N 310.375 2.258 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)NC1CCCCC1 36078903 ZUWOMEDNOBVTMY-HNNXBMFYSA-N 321.421 2.285 0 40 DEAB Cn1cncc1CN1CC(Oc2ccnc(C(F)(F)F)c2)C1 1889085891 GVZZCEPXKBNVHG-UHFFFAOYSA-N 312.295 2.097 0 40 DEAB C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)[C@H]1CCCO1 27871306 DYFAGHGEOMFYPV-TZMCWYRMSA-N 315.373 2.353 0 40 DEAB O=C1C[C@H](C(=O)NC[C@H]2Cc3ccccc3O2)c2ccccc2N1 32006102 ZJDOBOQHTFGKIC-HIFRSBDPSA-N 322.364 2.232 0 40 DEAB O[C@H](CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCO2 36741387 MDGVYFYJTDMUBE-LJQANCHMSA-N 324.424 2.477 0 40 DEAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cc(C)on1 13572756 WIKVYLXDXTVWMG-MRVPVSSYSA-N 318.362 2.159 0 40 DEAB CNC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1C 30522252 XKYXQEGFIAWMIP-UHFFFAOYSA-N 318.373 2.328 0 40 DEAB CCc1nnsc1C(=O)NCc1ccc(N2CCCC2)nc1 31316606 WUKXTAGMJBGDFL-UHFFFAOYSA-N 317.418 2.026 0 40 DEAB COCCCCNC(=O)c1cn(-c2ccc(Cl)cc2)nn1 40536125 XOSRBDKDLAHXHS-UHFFFAOYSA-N 308.769 2.077 0 40 DEAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)o1 32196995 RXLZVCMTNRMRTB-IVDNPREJSA-N 302.374 2.140 0 40 DEAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c1 2503253 ZOHDOFBGGUXZSD-GAUGTXIDSA-N 317.385 2.359 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC(O)CC1 32758532 XWIYVQRUHQXEFU-QGZVFWFLSA-N 321.461 2.489 0 40 DEAB Cc1c(CN(C)C(=O)[C@@H](C)n2ncc(Cl)c2C)cnn1C 2777612 NFTBECXQRTURCQ-LLVKDONJSA-N 309.801 2.106 0 40 DEAB COc1cc(NC(=O)[C@@H]2CC=CCC2)ccc1NS(C)(=O)=O 29967427 KGACDZGVKBHAAC-LLVKDONJSA-N 324.402 2.362 0 40 DEAB COc1ccccc1S(=O)(=O)N1CCn2cccc2[C@H]1C 6974822 ZJPAYSUNJVKPJQ-GFCCVEGCSA-N 306.387 2.262 0 40 DEAB CCOC(=O)[C@@](O)(CC(=O)Nc1ccccc1F)C(F)(F)F 2770544 DQGNOYHTGZOAOU-LBPRGKRZSA-N 323.242 2.011 0 40 DEAB Cc1cc2nc(C)c(CCC(=O)N3CCSCC3)c(C)n2n1 53802787 DEPZEDZNOPLNAP-UHFFFAOYSA-N 318.446 2.163 0 40 DEAB O=C1CCCN1CCCNC(=O)C12CC3CC(CC(C3)C1)C2 23177501 OEPITIYKYDZXLT-UHFFFAOYSA-N 304.434 2.332 0 40 DEAB Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1C(=O)O 12394278 CAZYVMXZPIHFIQ-UHFFFAOYSA-N 300.293 2.419 0 40 DEAB in-vitro CN(Cc1ccccc1)C(=O)[C@H](Cc1ccccc1)n1cnnn1 24354344 MFQIFYXEGZVAEI-KRWDZBQOSA-N 321.384 2.116 0 40 DEAB O=C1CCC(=O)N1c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 3099980 OKCVBJRXYQMOHZ-UHFFFAOYSA-N 320.304 2.141 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1Cl 69779139 VOKZTRYSFOXSCG-STQMWFEESA-N 324.856 2.471 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)CCc2nccs2)C1 69771213 WIHJHVUYTRBNCZ-CYBMUJFWSA-N 304.419 2.444 0 40 DEAB O=C(NC[C@@H]1COCCO1)Nc1ccc2oc(C3CC3)nc2c1 56601587 YIPFAASYGZKYJB-GFCCVEGCSA-N 317.345 2.242 0 40 DEAB CCc1sc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1C 76053660 KQMYRVGAFVGPFL-KGLIPLIRSA-N 322.474 2.412 0 40 DEAB Cc1sc(NC(=O)c2ccccc2)c(C(=O)NCCO)c1C 1792989 UJWBBIIUVSPTQP-UHFFFAOYSA-N 318.398 2.339 0 40 DEAB CCO[C@@H]1[C@H]2CC[C@H]1N(CCOCc1ccccc1)CCO2 107720532 YSFZDAJKZVCSGI-KURKYZTESA-N 305.418 2.472 0 40 DEAB O=C(COC(=O)c1cccc(F)c1)NCc1ccc(F)cc1 3246292 YGLITWZUBWIIBV-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB NC(=O)Cc1ccccc1NC(=O)CCC(=O)c1ccccc1 58180396 YEKKWFHFCDQYFL-UHFFFAOYSA-N 310.353 2.316 0 40 DEAB CC[C@](C)(NC(=O)CCc1cc(OC)ccc1OC)C(=O)OC 58214308 ZVCMENSKTKTNLU-KRWDZBQOSA-N 323.389 2.094 0 40 DEAB CO[C@@H](CNC[C@H]1CNc2cc(C)nn2C1)c1ccccc1 58294366 SHHSCVDUDCPEIY-HOCLYGCPSA-N 300.406 2.211 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CCO1 44952278 ADDLWNIHNXKVJM-SECBINFHSA-N 319.283 2.275 0 40 DEAB O=C(Nc1ccc(-c2ccccc2)cn1)[C@@H]1CCS(=O)(=O)C1 58418248 XWPDQRLCKSLMGP-CQSZACIVSA-N 316.382 2.122 0 40 DEAB COC[C@H]1CN(C(=O)NC[C@@H](C)c2ccc(C)cc2)CCO1 78953041 ULPXAPHTUWCKBN-GDBMZVCRSA-N 306.406 2.155 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)Nc1ccc2c(c1)OCO2 3359495 QBTVEILWTYSFFF-UHFFFAOYSA-N 319.338 2.071 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc(-c2ccco2)[nH]n1 48236275 RTCYCUNUGQTENB-SMDDNHRTSA-N 300.362 2.026 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1ccncc1 48279138 ODWIWMQRCUFYGF-GFCCVEGCSA-N 307.353 2.386 0 40 DEAB Cc1cccc(C(=O)OCC(=O)NC(=O)NC2CCCCC2)c1 3517457 WRWULEICESKPDD-UHFFFAOYSA-N 318.373 2.310 0 40 DEAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCSCC1 49214587 PFOUOKNPSVGSPY-CYBMUJFWSA-N 304.415 2.153 0 40 DEAB COc1c2c(cc3c1[C@@H](Nc1ccncc1)N(C)CC3)OCO2 4090480 HUQDBZGOUSLPHP-KRWDZBQOSA-N 313.357 2.418 0 40 DEAB biogenic COc1cc(-c2nc3c(s2)CNCC3)cc(OC)c1OC 8733307 KBBZUXKZIATJNF-UHFFFAOYSA-N 306.387 2.482 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2O)[C@@H]1C 5078542 MWWPCHDXURECTG-YRGRVCCFSA-N 305.374 2.490 0 40 DEAB CC(C)C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(C)C 5017919 QUACJKVHEAZHMC-UHFFFAOYSA-N 313.419 2.417 0 40 DEAB C[C@H]1CCCN(C(=O)COc2ccc(-c3nnco3)cc2)C1 5209347 XRQHNYRECNKOTJ-LBPRGKRZSA-N 301.346 2.374 0 40 DEAB C[C@@H](C(=O)Nc1cccc(F)c1)n1nnc2ccccc2c1=O 5243988 HVXBOLXZPYBIRQ-JTQLQIEISA-N 312.304 2.130 0 40 DEAB O=C1c2cccnc2CN1[C@H](CCn1cncn1)c1ccccc1 65424774 GVKFZCVOCVUISY-QGZVFWFLSA-N 319.368 2.461 0 40 DEAB O=C(COc1ccc(Cl)cc1)NC1CCN(C2CC2)CC1 14162823 PVSRDGMFRRSXMD-UHFFFAOYSA-N 308.809 2.462 0 40 DEAB O=C(Nc1cccc2cccnc12)c1ccc(-n2cnnn2)cc1 14240969 KRKZOQOGVXBQKV-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB COc1ccc(CNc2nc3nc(C)c(Cl)c(O)n3n2)cc1 8969035 KNZNHPAVMOBNOA-UHFFFAOYSA-N 319.752 2.412 0 40 DEAB CC1=NN2C(O)=NC(C(F)(F)F)(C(F)(F)F)N=C2S1 4823889 XVBDNTRUFAIPNR-UHFFFAOYSA-N 306.191 2.473 0 40 DEAB O=c1/c(=C\c2cccs2)sc2nc(-c3ccccc3)nn12 4872095 LZGVOLQIWRKEGN-FMIVXFBMSA-N 311.391 2.427 0 40 DEAB Cc1ccc(OC[C@H](O)CN(CCO)Cc2ccccc2)cc1 68048933 ZKERVMUFZVPMRC-GOSISDBHSA-N 315.413 2.229 0 40 DEAB Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 8342628 SPCGLAHNLWGGDO-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@H]3CCCO3)c2)n[nH]1 71799584 ZRMRESKEWUPKPA-IINYFYTJSA-N 315.377 2.469 0 40 DEAB O=C(CC1CCCC1)NCCNCc1cccc2c1OCCO2 71792608 SSBRQWNZTMWBFY-UHFFFAOYSA-N 318.417 2.244 0 40 DEAB CCc1ccc([C@@H]2COCCN2C(=O)[C@@H](N)c2ccccc2)o1 96499683 LUPWTHCNJQEOOY-RDJZCZTQSA-N 314.385 2.442 0 40 DEAB CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)Cc1cnn(C)c1 96433006 LIGZEQPGULLLQO-INIZCTEOSA-N 303.381 2.485 0 40 DEAB O=C(NCC(F)(F)F)[C@H]1CCCN1Cc1ccnc(Cl)c1 71850014 MBXXZAPFGKLXDF-SNVBAGLBSA-N 321.730 2.378 0 40 DEAB Cc1cc(C[S@@](=O)CC(=O)Nc2ccc(F)cc2F)on1 71859046 FBMBSZNYDLGMBF-NRFANRHFSA-N 314.313 2.149 0 40 DEAB O=C(NC[C@@H](O)COc1ccc(F)c(F)c1)[C@H]1CC=CCC1 71856922 CGZCJVBYWRQEFV-NWDGAFQWSA-N 311.328 2.177 0 40 DEAB O=C(Cn1cnc2cc(Cl)ccc2c1=O)N1CCCCCC1 9724604 MESRGRNMCWDIDN-UHFFFAOYSA-N 319.792 2.453 0 40 DEAB O=C(NC1CCN(c2ccccn2)CC1)N(CC(F)F)C1CC1 72270111 OBWPUCHCXAZCLP-UHFFFAOYSA-N 324.375 2.490 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)NCCc2ccsc2)c1 72269821 FEIVGFANEWZJRP-KGLIPLIRSA-N 320.462 2.151 0 40 DEAB NC(=O)c1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@H]1c1cccnc1 97101452 TVYWFSDDSDKCLK-HOTGVXAUSA-N 321.380 2.263 0 40 DEAB CCN(CC)C(=O)N1CCN(C(=O)[C@H](C)c2ccsc2)CC1 95399336 VNEDYXVXENJAKE-CYBMUJFWSA-N 323.462 2.458 0 40 DEAB OC[C@]1(NCc2cnn(-c3ccccc3)n2)CCc2ccccc21 95429786 RDYAVCYVGZJQHN-LJQANCHMSA-N 320.396 2.191 0 40 DEAB COC(=O)C[C@H](c1cc(OC)cc(OC)c1)c1c(O)n[nH]c1C 95472146 YELFPAOGBSNROF-CYBMUJFWSA-N 320.345 2.136 0 40 DEAB Cc1cnc(CCNC(=O)N2CC[C@@H](OCC(C)C)C2)s1 95413126 YQTWITRAJCJMKF-CYBMUJFWSA-N 311.451 2.451 0 40 DEAB CCc1n[nH]c([C@@H]2CN(CCCOc3ccccc3)CCO2)n1 89289834 RXWYYCFRLWAUKV-HNNXBMFYSA-N 316.405 2.210 0 40 DEAB O=C(NCc1n[nH]c(=S)n1C1CC1)c1nc2ccccc2[nH]1 75092401 NZBRRVSFZATWEF-UHFFFAOYSA-N 314.374 2.082 0 40 DEAB CCNC(=O)c1ccc(C)c(NCc2nsc(N(C)C)n2)c1 89977507 NTSRYJPWEMASRR-UHFFFAOYSA-N 319.434 2.274 0 40 DEAB COc1ccc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 120641733 AFPPGAIGGKEGTR-GFCCVEGCSA-N 320.414 2.345 0 40 DEAB CC(C)CNC(=O)c1nc([C@@H]2CCCN2C)n2ccccc12 306139875 UDGGFLLERCFDGJ-AWEZNQCLSA-N 300.406 2.487 0 40 DEAB CCOCCCNC(=O)c1cc(C)nc2c1c(C)nn2CC 32610988 VWHLRKFNKOZJDJ-UHFFFAOYSA-N 304.394 2.224 0 40 DEAB Cc1ccc(CCC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)o1 548670181 KKBTYALLLYRYEC-BBRMVZONSA-N 317.389 2.291 0 40 DEAB O=C(COc1cccnc1Cl)NC[C@@H]1Cc2ccccc2O1 77494318 ABNBAXHHCCCDLX-LBPRGKRZSA-N 318.760 2.234 0 40 DEAB Cc1csc(N(C)C(=O)c2ccnc(O[C@@H]3CCOC3)c2)n1 182868520 TWVWMYBDKCBCQJ-GFCCVEGCSA-N 319.386 2.291 0 40 DEAB Cc1cc(C(=O)NCc2cccnc2)nc(N2CCCCC2)n1 72239826 NTLDPWRMNAWLCP-UHFFFAOYSA-N 311.389 2.100 0 40 DEAB COc1cccc(NC2CCN(C(=O)c3cc[nH]n3)CC2)c1 77016373 JFNZDDKNPXEXFK-UHFFFAOYSA-N 300.362 2.135 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2nc3c(s2)CCCC3)c[nH]1 72404522 OSIPUCFGRQTVJI-UHFFFAOYSA-N 319.386 2.036 0 40 DEAB O=C(c1ccccc1[C@@H]1CCNC1)N1CCc2ncccc2C1 72130646 QSJRRKXTPAGMMG-CQSZACIVSA-N 307.397 2.357 0 40 DEAB COc1cc(F)ccc1-c1ccc(=O)n(CN2CCCC2)n1 79485212 DHAWXBDIYVWJAV-UHFFFAOYSA-N 303.337 2.111 0 40 DEAB C[C@H](N)C(=O)N(C[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 79404589 YFZYTIWAWVVOQN-RDJZCZTQSA-N 315.461 2.237 0 40 DEAB CCOCCCNC(=O)Cn1ccc(=O)c2cc(Cl)ccc21 225724670 NIYWBJWBKUAZQP-UHFFFAOYSA-N 322.792 2.198 0 40 DEAB C[C@@H](NC(=O)NCCN1CCCC1=O)c1ccc(Cl)cc1 567171621 LGIVQHFDYLXGTE-LLVKDONJSA-N 309.797 2.323 0 40 DEAB CN1[C@H]2CC[C@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1CC2 221866515 MNFKNWZDZOBKJX-NCOADZHNSA-N 303.402 2.321 0 40 DEAB CCCCc1noc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1 41122516 OZGNFCIHOAERBL-CHWSQXEVSA-N 307.394 2.297 0 40 DEAB CSc1ccc(S(=O)(=O)NC(C)C)cc1NC(C)=O 223140513 WGZYEXJYRYVFLN-UHFFFAOYSA-N 302.421 2.054 0 40 DEAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(N)=O)cc1 225698404 JOGSHTLGSPIPCX-KRWDZBQOSA-N 322.405 2.475 0 40 DEAB C[C@](O)(CNC(=O)/C=C/c1cccnc1)c1ccc(F)cc1F 80875758 XTLDVBKMYPEDNB-PFWMLDTASA-N 318.323 2.397 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1ccc(Br)o1)C1CC1 84823467 RZORVGRFYYTDNG-MRVPVSSYSA-N 316.151 2.114 0 40 DEAB CCOC[C@@H]1CN(Cc2nccs2)Cc2cn(CC)nc21 96059906 JOOLDEHIQBOVMB-ZDUSSCGKSA-N 306.435 2.495 0 40 DEAB O=C(c1ccoc1)N1CCn2cc(CNc3ccccn3)nc2C1 96068053 AWCZHDHQHJNYMW-UHFFFAOYSA-N 323.356 2.139 0 40 DEAB CC[C@](C)(CO)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 97237958 ZOBJITYBTZCQGG-DGCLKSJQSA-N 306.189 2.304 0 40 DEAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccoc2)n1 96055760 CPKIDVARYAFFSX-DLBZAZTESA-N 311.385 2.358 0 40 DEAB CCn1c(C)cc(C(=O)N2CCS[C@H]3COCC[C@@H]32)c1C 95425942 QRIAATYQLQRYIH-GJZGRUSLSA-N 308.447 2.471 0 40 DEAB CNC(=O)CCNC(=O)c1ccc(-c2ccc(C)cc2)nc1C 257173054 BTFAPTXBJJYSCG-UHFFFAOYSA-N 311.385 2.231 0 40 DEAB O=C(c1ccc(Cl)cc1)N1CC[C@H](Oc2ccncn2)C1 575606595 QDGIBHRLMWQZRI-ZDUSSCGKSA-N 303.749 2.424 0 40 DEAB COC(=O)C[C@H](NC(=O)c1scnc1C)c1ccccc1 48735826 HAHAGGIWZZHWAP-LBPRGKRZSA-N 304.371 2.486 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1 49452302 PHNGPUOKHKUWJX-HTQZYQBOSA-N 317.183 2.075 0 40 DEAB O=C(CC[C@@H]1CCCO1)NCc1cccc(N2CCOC2=O)c1 56964356 OTXJOPVBCPKZDY-HNNXBMFYSA-N 318.373 2.219 0 40 DEAB O=C(NCCn1cnc2ccccc21)c1n[nH]c2ccccc12 65607388 MVWHXGOBTKJASS-UHFFFAOYSA-N 305.341 2.343 0 40 DEAB Cc1cc(C)cc(-c2cc(NC(=O)c3nccnc3N)[nH]n2)c1 78728288 JOPGDLYGPMHSGG-UHFFFAOYSA-N 308.345 2.318 0 40 DEAB Cc1n[nH]c(C)c1CNC(=O)C[C@@H]1OCCc2sccc21 84019460 DAIWHULVZKHKFS-ZDUSSCGKSA-N 305.403 2.408 0 40 DEAB CCOC(=O)N1CCN(c2ncnc3c(C)csc23)CC1 189966036 XDLXLLRFVZIATC-UHFFFAOYSA-N 306.391 2.278 0 40 DEAB Brc1cc2c(c(CNCCn3ccnc3)c1)OCC2 96501770 HWGYJNAEJLGHBW-UHFFFAOYSA-N 322.206 2.370 0 40 DEAB C[C@H](NCc1ccnn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 97234103 LXXLCRKSJPJKPN-JSGCOSHPSA-N 308.426 2.298 0 40 DEAB C[C@H](CNCc1sccc1Br)N1CCOCC1 97378271 XWMXDBFJGZJMBT-SNVBAGLBSA-N 319.268 2.321 0 40 DEAB O=C(CS(=O)(=O)c1cccs1)Nc1ccc(F)cc1F 11666465 UMCTUVDNLKVLLK-UHFFFAOYSA-N 317.338 2.439 0 40 DEAB COc1ccc2oc(C(=O)OCC(=O)NC3CC3)c(C)c2c1 13059386 MOXFUHQJJZLBFV-UHFFFAOYSA-N 303.314 2.185 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N[C@H](C)C(C)C)ccc1Cl 156785911 GMUAVNLUZUSBDQ-SECBINFHSA-N 319.810 2.449 0 40 DEAB CCOc1ccccc1CCC(=O)N1CC[C@H](n2nccn2)C1 253472160 JWCXJAPKFCRPNK-HNNXBMFYSA-N 314.389 2.083 0 40 DEAB NC(=O)N[C@H](CC(=O)NC1CCCCC1)c1ccccc1F 32796270 YKUKVKVRKPDMAJ-CQSZACIVSA-N 307.369 2.374 0 40 DEAB CCn1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cn1 24577373 ACFWDIBBTQGZGI-UHFFFAOYSA-N 303.746 2.496 0 40 DEAB COc1cnc(O[C@H]2CCN(c3nnc(C(C)C)s3)C2)nc1 2087129913 URWYVCFFIGBAOS-JTQLQIEISA-N 321.406 2.118 0 40 DEAB O=C(CCc1ccccc1F)NCC1(N2CCOCC2)CCC1 1775973365 GZHXHZNTYCSYDP-UHFFFAOYSA-N 320.408 2.129 0 40 DEAB CCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 29220788 SVCLSFSGRLVAQK-OAHLLOKOSA-N 324.446 2.146 0 40 DEAB Cn1c(=O)c(C(=O)Nc2ccccc2N)c(O)c2ccccc21 100001565 VHGBPFRMNBEDAA-UHFFFAOYSA-N 309.325 2.079 0 40 DEAB COc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cn1 40526419 CLWCXVLVMZWXGV-UHFFFAOYSA-N 305.363 2.141 0 40 DEAB Fc1cccc(C=C2CCN(c3ccc4nnnn4n3)CC2)c1 40549066 KWTDQVDQNSROQS-UHFFFAOYSA-N 310.336 2.342 0 40 DEAB Cc1ncsc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 40529569 INMFJOUTUBIJFJ-LLVKDONJSA-N 304.371 2.364 0 40 DEAB Cc1ccc(C2=NO[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1 101510219 AZNFKUXQCBNRFP-ZBFHGGJFSA-N 306.321 2.288 0 40 DEAB COc1ccc2[nH]c3c(=O)n(Cc4ccccn4)cnc3c2c1 500907 CZEYBAPOTCAIBJ-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB COc1cc2c(NCCCCCO)ncnc2c(OC)c1OC 1572003 SSDALMNYCZFGTO-UHFFFAOYSA-N 321.377 2.230 0 40 DEAB O=C(O)C[C@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 91292405 YDGJKPXAAMFXMT-QMMMGPOBSA-N 318.156 2.309 0 40 DEAB CCCNC(=O)CSc1nnc(Cc2ccccc2)n1C 4800355 XEPQYUKNAJAJMN-UHFFFAOYSA-N 304.419 2.024 0 40 DEAB CCCCN[C@H]1CC(=O)N(c2ccc(OCCC)cc2)C1=O 4956492 SUTQGESBJYQYBD-HNNXBMFYSA-N 304.390 2.497 0 40 DEAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)O)CC1 41543258 JTKXSMYUOIQMPX-UHFFFAOYSA-N 309.337 2.306 0 40 DEAB COc1ccc2c(c1)[nH]c1c(N(C)CC(OC)OC)ncnc12 529546 FGCLFKRDVZTBIG-UHFFFAOYSA-N 316.361 2.175 0 40 DEAB Cc1ccc([C@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3ON2c2ccccc2)cc1 100816042 CAVFFBJJNMNHHB-IKGGRYGDSA-N 322.364 2.471 0 40 DEAB COc1cc(CNC(=O)Nc2cc(C)on2)cc(OC)c1OC 53247912 NPTVFXASKWIOLQ-UHFFFAOYSA-N 321.333 2.331 0 40 DEAB CN(C)c1ncc(CNCc2ccc3c(c2)OCCO3)s1 69161084 WZQSWMIRSKWQSZ-UHFFFAOYSA-N 305.403 2.270 0 40 DEAB Cc1ccc(CN(C)C(=O)Cn2c(=O)n(C)c3ccccc32)cc1 23199827 ZNTLJDJJSLCMQB-UHFFFAOYSA-N 323.396 2.307 0 40 DEAB CN(C)C[C@H]1CN(Cc2cc(F)cc3cccnc23)CCO1 70016825 UHDHXEXUSSBSEE-INIZCTEOSA-N 303.381 2.136 0 40 DEAB CCN(CC)CCNC(=O)CCc1nnc(-c2ccsc2)o1 43078150 OMQBPAMPWJZSLP-UHFFFAOYSA-N 322.434 2.189 0 40 DEAB CCS(=O)(=O)Nc1cccc(C(=O)N2CCCCCC2)c1 24842079 OFHQMNGTXHZZEN-UHFFFAOYSA-N 310.419 2.464 0 40 DEAB CC(C)c1nnc(NC(=O)CCNC(=O)c2ccco2)s1 25055654 WVOHHZAIWVZRFQ-UHFFFAOYSA-N 308.363 2.013 0 40 DEAB COCc1ccccc1C(=O)N[C@H](C)C(=O)NC1CCCC1 69349989 SDISNMYTTHGNFH-GFCCVEGCSA-N 304.390 2.010 0 40 DEAB Cc1cc(NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)no1 56323272 YRKDAFBZWAUICG-BETUJISGSA-N 309.366 2.175 0 40 DEAB COCc1cccc(CNC[C@@H]2CNc3cc(C)nn3C2)c1 58294415 VZMUBXFNRDNOJW-MRXNPFEDSA-N 300.406 2.169 0 40 DEAB CCN(CC)S(=O)(=O)N[C@@H](C)CCc1ccc(OC)cc1 58325916 GTYSRJPONSARRJ-ZDUSSCGKSA-N 314.451 2.193 0 40 DEAB O=C(Nc1ccccc1-n1cccn1)N1CCC(CO)CC1 48149105 HBMYPSKEOZYYCO-UHFFFAOYSA-N 300.362 2.109 0 40 DEAB Nc1cccc2c1C(=O)N(C(=O)c1ccccc1Cl)C2=O 3301503 REVNSTLOELMCJO-UHFFFAOYSA-N 300.701 2.359 0 40 DEAB O=C(NCCCN1CCCC1=O)c1ccc2ncsc2c1 3344701 IZZJOFNEBYFVQB-UHFFFAOYSA-N 303.387 2.039 0 40 DEAB COc1ncccc1NC(=O)NC[C@H](C)Cn1nc(C)cc1C 48230681 SEOAFFSWVXKGQQ-NSHDSACASA-N 317.393 2.361 0 40 DEAB Cc1ccccc1CNC(=O)Nc1ccc(OCC(N)=O)cc1 45699533 IYDGWWLJUDIHJG-UHFFFAOYSA-N 313.357 2.181 0 40 DEAB COc1ncccc1CNC(=O)c1ccc(C(F)(F)F)nc1 36739639 FXLXUJNTUHVDBE-UHFFFAOYSA-N 311.263 2.434 0 40 DEAB O=C(NCCc1cccs1)c1ccc(Cn2cncn2)cc1 11563627 QBQJGWSSUPPSQH-UHFFFAOYSA-N 312.398 2.360 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(F)c(F)c1 12758753 KZVNWYDZFCZVFH-UHFFFAOYSA-N 316.329 2.390 0 40 DEAB Cc1sc2ncnc(N[C@H]3CCc4ncnn4C3)c2c1C 69489557 MMUDXUVUSWLXBM-JTQLQIEISA-N 300.391 2.327 0 40 DEAB Cc1csc(SCC(=O)Nc2ccc(C(N)=O)cc2)n1 3413948 OOUNOGBMIVBOAR-UHFFFAOYSA-N 307.400 2.281 0 40 DEAB COc1cc(C)c([C@H]2CC(=O)N=C3N=CNN32)cc1C(C)C 409379452 XUJKVBQQHSYSIY-CYBMUJFWSA-N 300.362 2.303 0 40 DEAB CC[C@@]1(C)NC(=O)N([C@H](C)C(=O)Nc2ccc(C)cc2)C1=O 13074395 WAGZMQHSXXRBNF-BDJLRTHQSA-N 303.362 2.043 0 40 DEAB Cc1cccc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c1 18023751 XRLLYTHINQAJKM-UHFFFAOYSA-N 315.373 2.141 0 40 DEAB COC(=O)C[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(SC)cc1 69597063 GSEQWTQLFJLCIR-KGLIPLIRSA-N 323.414 2.308 0 40 DEAB CC1(C)OC(=O)C([C@H]2NCCc3c2[nH]c2ccccc32)=C(O)O1 4090058 YAGTTYHRTUXBEZ-CQSZACIVSA-N 314.341 2.434 0 40 DEAB biogenic CCO[C@@H](C)C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 63987655 UCUNFLKLPPSMNE-UWVGGRQHSA-N 307.325 2.478 0 40 DEAB CCn1cc(NC(=O)NCc2ccc(NCCOC)cc2)cn1 69880092 PKERNRKJOLADAK-UHFFFAOYSA-N 317.393 2.283 0 40 DEAB CN(C(=O)c1cnn(C)c1)C1CCN(c2ccc(F)cc2)CC1 69744407 CCORDNOLAOQELE-UHFFFAOYSA-N 316.380 2.300 0 40 DEAB CCc1noc(CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 69704761 NOWHSRXISKTKLC-UHFFFAOYSA-N 318.377 2.094 0 40 DEAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCC1 22587055 GUFSPRZYMMTPOY-HDMKZQKVSA-N 307.482 2.003 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306132491 LKRUXHXGIDIKEV-OAHLLOKOSA-N 318.417 2.262 0 40 DEAB COc1cccc(OC)c1C(=O)O[C@@H](C)C(=O)NC1CCCC1 5537870 FPHQTLPPPHNMNC-NSHDSACASA-N 321.373 2.308 0 40 DEAB CN(C(=O)CN1C[C@H](c2ccccc2)OCC1(C)C)C1CC1 67230846 GMULCVXUJYSJMD-MRXNPFEDSA-N 302.418 2.459 0 40 DEAB CC1CCC(N(C)C(=O)CSc2nnc(N)s2)CC1 7414856 VORNFUQYINIZGA-UHFFFAOYSA-N 300.453 2.250 0 40 DEAB COC(=O)c1ccc(N2CCN(C(=O)C(C)C)[C@@H](C)C2)cc1 71186186 NXSWZUBMKRMHNE-ZDUSSCGKSA-N 304.390 2.166 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CCCN1C(=O)c1cccs1 7781050 CXQLEPACEIJHIF-LBPRGKRZSA-N 301.371 2.386 0 40 DEAB O=C(N[C@@H]1CC[S@@](=O)C1)c1cc(-c2cccc(Cl)c2)no1 78963635 CHRVCGMKIBATFL-FIKIJFGZSA-N 324.789 2.246 0 40 DEAB COc1cccc2c1CCN(C(=O)NCC[C@@H]1CCCO1)C2 97082898 JNQIIWSGESVENY-AWEZNQCLSA-N 304.390 2.332 0 40 DEAB C[C@@H](N)[C@H]1CN(Cc2ccc(Br)s2)CCO1 97019940 LSCDMPGQGDDUGD-PSASIEDQSA-N 305.241 2.059 0 40 DEAB Cc1ccc(OCCC(=O)N[C@H](C(N)=O)c2ccccc2)cc1 71793241 CQCMHGGNQCPANG-KRWDZBQOSA-N 312.369 2.107 0 40 DEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(F)cc2[nH]cnc12 96420907 PDYBYOSJUFKVFK-FZZIBODNSA-N 303.337 2.245 0 40 DEAB CC(C)c1nc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)no1 71859760 CUXKIUWWTVPPKD-CYBMUJFWSA-N 316.409 2.084 0 40 DEAB C[C@H](Cc1ccccc1F)NC(=O)N(C)CCn1cccn1 71897655 WNXYWBUDAGYSNE-CYBMUJFWSA-N 304.369 2.295 0 40 DEAB O=S(=O)(Nc1nc(-c2ccccc2)ns1)c1cccnc1 71913800 XEPVCBAUKFGBGQ-UHFFFAOYSA-N 318.383 2.401 0 40 DEAB Cc1cccc(C(=O)NC[C@](C)(O)c2ccc(F)cc2F)n1 71907922 YLEPZOYTURVWKR-INIZCTEOSA-N 306.312 2.306 0 40 DEAB Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCc3nnc(N)cc3C2)s1 72279500 GMVBTGDQEYTPBZ-RYUDHWBXSA-N 314.414 2.117 0 40 DEAB Cc1nc2ccccc2nc1CN1CCn2c(nnc2C2CC2)C1 84057532 QBLRNAFEHXMHOY-UHFFFAOYSA-N 320.400 2.423 0 40 DEAB Cc1ccc2nc(CN3CCC4(CC3)OC[C@H](C)O4)cn2c1 84088426 IYWXHBHCUVZFNN-AWEZNQCLSA-N 301.390 2.370 0 40 DEAB O=C(COCCc1ccccc1)N1CCC[C@H](c2ccn[nH]2)C1 72282976 ZNFFCWYGHDWPFI-INIZCTEOSA-N 313.401 2.375 0 40 DEAB O=C1CCCN1CCCNCc1c[nH]nc1-c1cccs1 97134544 ZGCXWBZBSICFQZ-UHFFFAOYSA-N 304.419 2.240 0 40 DEAB C[C@@H](CCc1ccccc1F)C(=O)NC1(C(N)=O)CCCC1 72302896 SYGUHJLYHGRVTK-LBPRGKRZSA-N 306.381 2.309 0 40 DEAB O=C(NCc1cccc(Cn2cncn2)c1)[C@H]1C[C@H]1c1ccco1 84368230 ALFUNYFJJGWSGQ-CVEARBPZSA-N 322.368 2.339 0 40 DEAB CN(C(=O)c1csc([C@H]2CCCO2)n1)[C@@H](CO)C(C)(C)C 97374783 RYHWGLHSZUGVRB-NEPJUHHUSA-N 312.435 2.474 0 40 DEAB CCC(CC)(CNC(=O)c1cc2ccccn2c1)S(C)(=O)=O 72539266 ZJBZTHKGMYMQIW-UHFFFAOYSA-N 322.430 2.273 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)N1CC[C@@H](Oc2cccnc2)C1 95416758 MOZGPYTZIRTZNS-CZUORRHYSA-N 315.373 2.469 0 40 DEAB Cc1nc(NC(=O)N[C@@]2(CO)CCc3ccccc32)oc1C 95429633 GXRHUOWQRWTNNJ-MRXNPFEDSA-N 301.346 2.247 0 40 DEAB COc1cc(CCNC(=O)N2CCC[C@@H]2C(C)(C)O)ccc1F 95939494 UVYSXRXWESCTSJ-OAHLLOKOSA-N 324.396 2.322 0 40 DEAB Cc1cc(NC(=O)N[C@H](C)[C@@H](C)CO)nn1-c1cccc(F)c1 95989146 REIAZTMEUKCCDK-CMPLNLGQSA-N 320.368 2.458 0 40 DEAB CC(C)[C@H](C(=O)NC/C=C/c1ccccc1)N1CCCC1=O 95958846 JQPJBPBYRIHXCC-DKISHCGFSA-N 300.402 2.463 0 40 DEAB CCc1ccc(NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)cc1 89284919 KCHWVUUBKZKDBR-ZDUSSCGKSA-N 312.435 2.151 0 40 DEAB COc1ccc(NC(=O)N2C[C@H](N(C)C)[C@H](SC)C2)cc1 89314125 YFQLKSZYFCMTRT-UONOGXRCSA-N 309.435 2.205 0 40 DEAB Cc1cccc(C)c1OCCCN1CCCN(C(N)=O)CC1 75137766 YCLNATOMVXLFIR-UHFFFAOYSA-N 305.422 2.159 0 40 DEAB CS(=O)(=O)NCc1ccc(OCc2ccccc2F)cc1 183673254 FEQLSBMWPBTYHF-UHFFFAOYSA-N 309.362 2.454 0 40 DEAB CC1=NNC(=O)[C@H]1CCNC(=O)C[C@H](C)Cc1cccc(F)c1 531055651 UDIPMXOWOINXDA-ABAIWWIYSA-N 319.380 2.023 0 40 DEAB COCCNc1cccc(C[C@@H]2CCCN(C(C)=O)CC2)n1 72364888 RFURNBIIESYEBG-OAHLLOKOSA-N 305.422 2.331 0 40 DEAB CCN(C[C@@H]1CCCN(CCO)C1)C(=O)OCc1ccccc1 79411064 ZLOXJDXAKNXVQG-QGZVFWFLSA-N 320.433 2.349 0 40 DEAB CC(C)(C)C(=O)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 33599767 AFDOBWSRHCRQRM-MRVPVSSYSA-N 317.644 2.177 0 40 DEAB C[C@H](CN(C)C(=O)c1ccc(Br)cc1)C(=O)O 42694290 WURUKOAFYZVZKY-MRVPVSSYSA-N 300.152 2.242 0 40 DEAB COc1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@H]2N)cc1 35337497 IWWSVINQONJVDG-BBWFWOEESA-N 321.384 2.370 0 40 DEAB CC(C)[C@H](CNC(=O)/C=C/c1ccccc1)N1CCOCC1 32935172 FVBKQQDMYRJWMT-IJDCCNJMSA-N 302.418 2.173 0 40 DEAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2 77845275 KBGRIMOOFIMXBX-SGTLLEGYSA-N 318.417 2.027 0 40 DEAB Cc1ccc(Cn2c(=O)n(C)c(=O)c3sccc32)cc1C 71327712 KVLAUGWYWNCTOB-UHFFFAOYSA-N 300.383 2.427 0 40 DEAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(O)c(Cl)c1 49375257 NQMXMTHDZHDVNM-LLVKDONJSA-N 312.778 2.011 0 40 DEAB COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cn1 225916230 UTAWWGARNQXWNL-UHFFFAOYSA-N 306.362 2.352 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 96430718 YYLADWRVRUNXDY-PBHICJAKSA-N 303.402 2.492 0 40 DEAB O=C(CC1CC1)N1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 96042317 KESZCOPPFBOGIC-OFQRWUPVSA-N 320.364 2.158 0 40 DEAB Cc1nc([C@H]2CCCN2CCn2c(=O)oc3ccccc32)no1 95393682 SNJHRORVINRMFI-CYBMUJFWSA-N 314.345 2.123 0 40 DEAB CCC(CC)(CNC(=O)Cc1ccc(C)cc1)S(C)(=O)=O 96432862 KGDPORYSJCKPQK-UHFFFAOYSA-N 311.447 2.257 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc(F)cc2Cl)CC1 95432431 IGCMMLGDMLYSHO-CQSZACIVSA-N 315.772 2.225 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N2CCOC[C@H]2C[C@H](C)O)cc1F 248765846 XAVPEQCNDCSVAL-KCQAQPDRSA-N 324.396 2.376 0 40 DEAB CC(C)(O)[C@@H]1CCCN1C(=O)N[C@@H]1CCCC[C@H]1n1cccn1 248615963 LWZWHBCABUUYCD-KFWWJZLASA-N 320.437 2.312 0 40 DEAB CC(C)C(=O)N1CCC[C@H](c2nccnc2-c2cncn2C)C1 257231654 GHQVVWKEAPKDHV-ZDUSSCGKSA-N 313.405 2.239 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)CCn2ccnc2C(C)C)C1 257229671 FZBLCZRBZOLJSU-AWEZNQCLSA-N 315.421 2.444 0 40 DEAB CCc1nccn1CC(=O)N1CCC[C@H](Cc2ccccn2)C1 257209276 BPSYOXLGRYIOJV-OAHLLOKOSA-N 312.417 2.322 0 40 DEAB CO[C@H]1CCCOC12CCN(C(=O)c1cncc(C)c1)CC2 257207552 BIGZYKGMTPQGJJ-HNNXBMFYSA-N 304.390 2.190 0 40 DEAB Cc1cnn(CC(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)c1 257202326 ALHPTABLQPFTRN-HNNXBMFYSA-N 313.405 2.016 0 40 DEAB Cc1cnn(C)c1CN1CCCC[C@H]1c1ccnc(N(C)C)n1 257339358 ZBJJWTUAARTULZ-HNNXBMFYSA-N 314.437 2.312 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)O)CC2)cc1 263522756 IAZVLIPTGKBTHY-GJZGRUSLSA-N 303.358 2.086 0 40 DEAB CC(C)[C@@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 260902609 UAXWCEANEWUIHL-OLZOCXBDSA-N 312.435 2.002 0 40 DEAB CCN1C[C@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@H]1C 390833024 ATXMISKMSQZXGZ-CVEARBPZSA-N 324.490 2.016 0 40 DEAB COc1cc(C(=O)Nc2c[nH]ccc2=O)ccc1OC(F)F 47929086 WTCSFNCUIBXXCB-UHFFFAOYSA-N 310.256 2.237 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)no1 72232116 ACYMKQYLOIQMDF-OLZOCXBDSA-N 307.394 2.468 0 40 DEAB Cn1ccnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 12444481 RXSVFIQFBSXATQ-UHFFFAOYSA-N 322.771 2.175 0 40 DEAB CCCC(=O)N1CCc2nc([C@@H]3CCCCN3C)ncc2C1 19501622 SWEWPCGRGBDFER-HNNXBMFYSA-N 302.422 2.318 0 40 DEAB CC1CCN(c2nc3ncc4c(c3c(=O)[nH]2)CCCC4=O)CC1 19819850 UKFFJHDOBDEZGT-UHFFFAOYSA-N 312.373 2.073 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(F)c(Br)c1 169196562 BOVXFABWJBXKKS-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)C2CC2)n1 12747312 VNKZVNXABQJUER-UHFFFAOYSA-N 300.362 2.126 0 40 DEAB CCOc1ccc(CC(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1 245053431 OUACYQWFVKPEHK-PVAVHDDUSA-N 319.401 2.081 0 40 DEAB O=C([C@H]1CN(Cc2cccc(F)c2)CCO1)N1CCCCC1 1888843841 HKVOBDDETCORDM-MRXNPFEDSA-N 306.381 2.039 0 40 DEAB O=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCCN=C2S1 1101422 PVMAXTBXXHEIGS-UHFFFAOYSA-N 321.789 2.498 0 40 DEAB COc1cccc([C@@H]2CC(=O)Nc3nc(N)sc32)c1OC 12371641 AOHMSQUIYJCECI-QMMMGPOBSA-N 305.359 2.217 0 40 DEAB CSc1ccc([C@H](O)CNc2ncnc3c2cnn3C)cc1 1775972668 QMICHUDGGRSIKP-CYBMUJFWSA-N 315.402 2.231 0 40 DEAB O=c1ccc(C2CC2)nn1CC1CN(c2ccncc2Cl)C1 585603451 VKAQAZKEEOULCV-UHFFFAOYSA-N 316.792 2.306 0 40 DEAB COc1ccc(OC)c2sc(N3CCC(C(N)=O)CC3)nc12 872387249 JJBIOFAEWUGASR-UHFFFAOYSA-N 321.402 2.015 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccc(OCC)cc2)C1 40160938 FOQQQVZGHYTYTK-HNNXBMFYSA-N 319.401 2.430 0 40 DEAB COc1ccc(OC)c(CNCc2ccnc(N(C)C)c2)c1 30903123 HVZDVFWRTKYGKJ-UHFFFAOYSA-N 301.390 2.455 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2ccoc2C)N2CCOCC2)o1 40477370 YBKQBDXYPLWPOD-OAHLLOKOSA-N 318.373 2.293 0 40 DEAB O=c1c2ccccc2nnn1C[C@H](O)c1ccccc1Cl 51265725 AAFIMSVHGGUIHY-AWEZNQCLSA-N 301.733 2.179 0 40 DEAB CN(CCOc1ccccc1)C(=O)c1cccc(NC(N)=O)c1 20910252 RJKDCPCFWVMKQR-UHFFFAOYSA-N 313.357 2.328 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1Cl 69779137 VOKZTRYSFOXSCG-OLZOCXBDSA-N 324.856 2.471 0 40 DEAB C[C@@H](CNC(=O)CCc1ccsc1)N1C[C@@H](C)O[C@H](C)C1 32828478 VHPDWXPEZCTJCB-BFHYXJOUSA-N 310.463 2.295 0 40 DEAB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NC1CCCCCC1 102636696 KCNBVXQUSCJUBC-OKILXGFUSA-N 306.406 2.001 0 40 DEAB COc1ccccc1-n1cnnc1SCc1nnc(C)o1 6534653 RHNBAMHPDBRRIL-UHFFFAOYSA-N 303.347 2.260 0 40 DEAB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 6969488 QOUWYNXLSJXPCQ-YRNVUSSQSA-N 313.338 2.118 0 40 DEAB CC(=O)N1CCC(NC(=O)[C@H](C)Oc2cccc(Cl)c2)CC1 21971462 MPNUZBVWHGLSGI-NSHDSACASA-N 324.808 2.234 0 40 DEAB CC(C)N(Cc1ccccc1)Cc1nc2c(cnn2C)c(=O)[nH]1 54417945 OXBCZTUGYBRQCJ-UHFFFAOYSA-N 311.389 2.067 0 40 DEAB CN1C(=O)N(C[C@H](O)c2ccccc2)C(=O)C12CCCCC2 24098284 XBZJWWGUVCPLNB-AWEZNQCLSA-N 302.374 2.317 0 40 DEAB Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 97045068 BZODIXCLRNSHEA-LBPRGKRZSA-N 321.421 2.435 0 40 DEAB CS[C@@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 72287105 MHPQSOPOMMAVMU-WDEREUQCSA-N 305.403 2.260 0 40 DEAB Cc1cc(CS(=O)(=O)NCc2ccccc2Cl)on1 72275100 RXRVHWJEWDYKHP-UHFFFAOYSA-N 300.767 2.256 0 40 DEAB CN(Cc1cccs1)C(=O)Cn1ccnc1-c1cnccn1 72282593 HRQDDRSZMIMLOO-UHFFFAOYSA-N 313.386 2.060 0 40 DEAB COc1c([C@H]2CCCN2[C@H](C)c2nnc(C)o2)c(C)nn1C 106908377 UJRNXFMUMFAKAF-ZYHUDNBSSA-N 305.382 2.327 0 40 DEAB CS[C@@H]1CC[C@H](N(C)Cc2nnnn2-c2ccccc2)C1 107145116 NAIKIFJXBFJPGC-UONOGXRCSA-N 303.435 2.378 0 40 DEAB O=C(O)Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 115660098 RXVXJXIKQJDDGX-WZUFQYTHSA-N 302.311 2.050 0 40 DEAB C[C@@H](NC(=O)NCCCN1CCCCCC1=O)c1ccco1 44891317 XUJYEPWIBJUQEO-CYBMUJFWSA-N 307.394 2.433 0 40 DEAB CN(C)c1ccc(C(=O)Nc2ccc(-c3nnco3)cc2)cn1 58295233 NTIDCBUEINUAQN-UHFFFAOYSA-N 309.329 2.450 0 40 DEAB Nc1nc2c(s1)CN(c1nccc(C(F)(F)F)n1)CC2 44919433 MFWWHJMWAFFVRC-UHFFFAOYSA-N 301.297 2.097 0 40 DEAB COCCOc1ccc(NC(=O)N[C@H](C)c2ccccn2)cn1 44952518 JBIPSQBBKGRLNR-GFCCVEGCSA-N 316.361 2.385 0 40 DEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCOC[C@H]3C)c12 44912317 CDFYYYKYZUINBL-LLVKDONJSA-N 316.405 2.261 0 40 DEAB O=C1CCc2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2N1 48285673 QGVIRJYBOAUJRM-UHFFFAOYSA-N 324.336 2.230 0 40 DEAB CC(C)Sc1ncccc1C(=O)N[C@@H](C)CN1CCOCC1 48221376 DMLGUCFAEQFRNW-ZDUSSCGKSA-N 323.462 2.033 0 40 DEAB O=C(/C=C/c1cccc(F)c1)NCCCCN1CCOCC1 48284636 ROSGQIHAJXMWBZ-VOTSOKGWSA-N 306.381 2.068 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)[C@@H](C)CO1 45445737 BHZCSEXKWKQHNK-QWRGUYRKSA-N 320.414 2.370 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ccc(C(N)=O)cc1 48367962 JFBSTNHOKASZRU-PMPSAXMXSA-N 316.401 2.092 0 40 DEAB O=C(NCCCn1cncn1)NC[C@@H]1CCCc2ccccc21 48342340 RJIAHVIXKQNCMY-HNNXBMFYSA-N 313.405 2.088 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 48300894 LZXOBPHYUFOYSU-UQBHMXEQSA-N 323.414 2.062 0 40 DEAB COc1cc(NC(=O)CN2CCC(C)CC2)cc(OC)c1OC 3538717 HFSGVYXRFKGPHU-UHFFFAOYSA-N 322.405 2.383 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 70666375 HPVJYDOAPSFAGJ-LSDHHAIUSA-N 312.369 2.409 0 40 DEAB biogenic C[C@H](CNC(=O)[C@@H](C)Sc1nncn1C)c1ccccc1 12976522 HCGAZUFNFXDLJN-VXGBXAGGSA-N 304.419 2.216 0 40 DEAB O=C(O)Cc1ccc(OCC(=O)NCc2ccccc2F)cc1 13421440 PNWQVUMMLMACJN-UHFFFAOYSA-N 317.316 2.148 0 40 DEAB Cc1cc(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c(C)c1 5049391 ZQVTZYPFKAHGOD-UHFFFAOYSA-N 320.389 2.393 0 40 DEAB Cc1cc(C)cc(C2(C(=O)N3CC[C@H](C(N)=O)C3)CCC2)c1 65492050 PYUKIUZCGWKWCD-AWEZNQCLSA-N 300.402 2.059 0 40 DEAB COCCN1CCC(NCc2c[nH]nc2-c2ccccc2)CC1 65548938 CNWYAMGONXKVNI-UHFFFAOYSA-N 314.433 2.277 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccccc2)cc1 20452557 CRIGLZUIJLPGMH-UHFFFAOYSA-N 305.355 2.415 0 40 DEAB O=c1n(CCNCc2ccc3ccccc3c2)nc2ccccn12 65976438 OMGMJIANNJGOPZ-UHFFFAOYSA-N 318.380 2.439 0 40 DEAB Cc1nc(CN[C@H](C)CS(=O)(=O)c2ccccc2)cs1 119982610 NWFKSXVPSUOQAR-LLVKDONJSA-N 310.444 2.404 0 40 DEAB C[C@@H]1CCCN1C1CCN(c2ncnc3nc(N)ccc23)CC1 90137964 XOMLSEMLTAOEGE-GFCCVEGCSA-N 312.421 2.060 0 40 DEAB C[C@@H]1CN(C(=O)NCCc2nc3ccccc3[nH]2)CC(C)(C)O1 68479031 XYOAQFFWNXHSID-GFCCVEGCSA-N 316.405 2.314 0 40 DEAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cccc(F)c1F 16684624 CIHVSINOUJHVPH-UHFFFAOYSA-N 308.284 2.198 0 40 DEAB CC(C)N(Cc1ccccn1)S(=O)(=O)N1CCCC[C@@H]1C 70019210 GIUQVLGJZAQHSX-AWEZNQCLSA-N 311.451 2.411 0 40 DEAB CCN(CC)C(=O)CNC(=O)c1ccc(-c2ccco2)nc1C 69392392 ALZJLNJDBSXZDT-UHFFFAOYSA-N 315.373 2.248 0 40 DEAB Cc1ccc(OCCCNC(=O)NC2CCC(O)CC2)cc1 69536285 HQIRDIMKKKKYKE-UHFFFAOYSA-N 306.406 2.367 0 40 DEAB Cc1cnn(C[C@H](C)N[C@H](C)c2nc(=O)c3ccccc3[nH]2)c1 69571205 GSNPPOFKOXMBBS-QWHCGFSZSA-N 311.389 2.167 0 40 DEAB CC(C)(C)c1nc(CNC(=O)N2CCC(CO)CC2)cs1 69601850 YBURLWCOSSZTGT-UHFFFAOYSA-N 311.451 2.355 0 40 DEAB C[C@H]1CS(=O)(=O)CCN1C(=O)NCCCCC(C)(C)C 96417719 FRHBCKFGJOHMOM-LBPRGKRZSA-N 304.456 2.031 0 40 DEAB COC(=O)[C@H]1CCCN1Cc1ccn(-c2cccc(F)c2)n1 71907766 MTSXCCDWPHKIPZ-OAHLLOKOSA-N 303.337 2.149 0 40 DEAB NC(=O)[C@@H](Sc1nc(-c2ccccn2)n[nH]1)c1ccccc1 71910008 VGTMOVDUUKOPQC-LBPRGKRZSA-N 311.370 2.185 0 40 DEAB COCC(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1 71902986 LKCBYHYZSHHUCJ-CQSZACIVSA-N 316.323 2.081 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)noc2C)cc1 84025619 GQGOVLCUSCBKPZ-UHFFFAOYSA-N 309.347 2.051 0 40 DEAB CCc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)c1O 95458110 DFZRYWFSWCZABO-GUYCJALGSA-N 305.374 2.023 0 40 DEAB O=C(NC[C@@H]1CN(C2CC2)CCO1)Nc1ccccc1Cl 95409800 WVUYDRLIQYIJIT-GFCCVEGCSA-N 309.797 2.325 0 40 DEAB COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1c(O)n[nH]c1C 95478316 YUHVMUUEBIUXQI-SECBINFHSA-N 310.737 2.478 0 40 DEAB CS(=O)(=O)NCCCS[C@@H]1CCc2ccc(F)cc21 95963570 QJYHSBGCOVMGAG-CYBMUJFWSA-N 303.424 2.486 0 40 DEAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2nnc3n2CCC3)C1 89274931 BQOUUPUUAFFSIP-RYUDHWBXSA-N 323.466 2.040 0 40 DEAB Cc1nc(CCCNC(=O)c2ccc3[nH]c(=S)oc3c2)n[nH]1 75094410 XPMCIJLOVOCNLY-UHFFFAOYSA-N 317.374 2.280 0 40 DEAB COC[C@H](O)CN[C@H]1CCc2c(F)ccc(Br)c21 89703420 WPJPAAVSXQFAEZ-PELKAZGASA-N 318.186 2.172 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC 20448846 ZXXXWDHBAHQZFH-NEPJUHHUSA-N 324.446 2.316 0 40 DEAB CN(C)c1nccc(N2CCN(Cc3ccccc3F)CC2)n1 353767876 MRNWRNVEUHDPMX-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB C[C@@H](C1CC1)n1cc(NC(=O)N2CCOCC(F)(F)C2)cn1 514755118 OVTMWJVDWSFLAK-JTQLQIEISA-N 314.336 2.354 0 40 DEAB Cc1cc(C(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)on1 187758342 KXDSITGNBZUYGE-JOYOIKCWSA-N 306.284 2.196 0 40 DEAB Cc1oncc1CN1CCN(C(=O)OCc2ccccc2)CC1 129307335 BBWHIFOBEJCCFH-UHFFFAOYSA-N 315.373 2.437 0 40 DEAB CC(C)C[C@@H]1NC(=O)N(C[C@@H](O)c2ccc(Cl)cc2)C1=O 42753694 GXMLRTUSWMQPKA-QWHCGFSZSA-N 310.781 2.340 0 40 DEAB CC(C)[C@H](N)C(=O)N(C1CC1)[C@H]1CCN(Cc2ccccc2)C1 79404751 JLTDWUFLFLULCP-ROUUACIJSA-N 315.461 2.235 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(F)c3)[C@H]2N)cc1 218571473 NLISCQDDKOTVIM-XHSDSOJGSA-N 305.374 2.401 0 40 DEAB O=C1CN(C(=O)Nc2cccc(N3CCCCCC3)c2)CCN1 77723892 HLHIQZBSZSRMCQ-UHFFFAOYSA-N 316.405 2.031 0 40 DEAB O[C@@H](c1ccc(F)cc1)c1nccn1C[C@H](O)C(F)(F)F 189432332 QGXZUBVRJXKBAG-QWRGUYRKSA-N 304.243 2.027 0 40 DEAB CCOC1CCN([C@H](C)c2nc(=O)c3ccccc3[nH]2)CC1 71821796 LYGKKWBIBAYYBE-GFCCVEGCSA-N 301.390 2.485 0 40 DEAB CCN(CC)CCNCc1cc(-c2ccccc2)cn2nnnc12 72392312 BDBBWVFQQKXMKC-UHFFFAOYSA-N 324.432 2.223 0 40 DEAB CC[C@@H]1c2cc(F)c(F)cc2CCN1c1nccn2nnnc12 521396629 FTOHWXGRAXKQBP-CYBMUJFWSA-N 316.315 2.311 0 40 DEAB Cc1c(C(=O)O)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 71289354 ZQYPTLCQEPZEQG-UHFFFAOYSA-N 311.301 2.201 0 40 DEAB C[C@@H]1CN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)C[C@@H](C)O1 226747404 RYAFSGXMRVMEKE-PSTGCABASA-N 320.364 2.345 0 40 DEAB Cc1cnc(NS(=O)(=O)CCOCc2ccccc2)s1 223454808 XCNRSJWBBXFDML-UHFFFAOYSA-N 312.416 2.410 0 40 DEAB COc1ccc(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)cn1 225927621 ZNAHSCHGPQDTJS-UHFFFAOYSA-N 307.350 2.086 0 40 DEAB CCC(=O)[C@@H]1CCCCN1C(=O)c1ncn(-c2ccccc2)n1 195567741 JTHLZPLOESDBRA-AWEZNQCLSA-N 312.373 2.241 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)CN(C(=O)c1ccoc1)C2 96198282 YQNPWHPMFJPQRJ-HNNXBMFYSA-N 315.373 2.179 0 40 DEAB CCCn1nc(C)c(CNc2cccc(C(=O)NC)n2)c1C 97095789 AJTAPYMSYYEDJV-UHFFFAOYSA-N 301.394 2.277 0 40 DEAB c1ccc(CN2CCc3ncnc(NC4CCC4)c3CC2)nc1 96255758 HSKHQHKFTQRRRD-UHFFFAOYSA-N 309.417 2.437 0 40 DEAB COc1ccc(-n2cc(CNC(=O)c3ccoc3C)nn2)cc1 96461600 DXNINTFJRADXKR-UHFFFAOYSA-N 312.329 2.107 0 40 DEAB CC(C)(C)[C@H]1OCCC[C@H]1CNC(=O)CCCNC(=O)C1CC1 96411303 FUEDOBSMQMDLNW-HOCLYGCPSA-N 324.465 2.250 0 40 DEAB Cc1ccc(C(=O)[C@@](C)(Br)S(C)(=O)=O)cc1 96518599 WPCZPRGMVUNBBK-NSHDSACASA-N 305.193 2.333 0 40 DEAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2ccsc2)cn1 96186479 IVRMJPOPADOUNL-HUUCEWRRSA-N 316.430 2.252 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)CCn2cc(C)cn2)C12CCCC2 96432502 VPJXXALHJFUYIM-HUUCEWRRSA-N 305.422 2.436 0 40 DEAB Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c(C)c1 96420332 VLGUJDBFYHPNTN-HUUCEWRRSA-N 318.417 2.218 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 96230680 GGPSSMWSGKAUSC-CYBMUJFWSA-N 301.390 2.391 0 40 DEAB Cc1cc(F)cc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1 97101020 FBEUEUOXBOVQJQ-UHFFFAOYSA-N 315.410 2.419 0 40 DEAB Cc1ccsc1CN1Cc2ccnn2C[C@@H](CN(C)C)C1 248130923 QHXSDZFUGKXIJR-AWEZNQCLSA-N 304.463 2.447 0 40 DEAB Cc1noc(C)c1C(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 257246939 IWQJMGQVSIMNHJ-CQSZACIVSA-N 314.389 2.427 0 40 DEAB Cc1cc(CNc2cc(CC[C@H]3CCCCN3)ncn2)on1 257324320 WODCSBZEPDKTDF-CYBMUJFWSA-N 301.394 2.460 0 40 DEAB CC(C)(C)SCCN1CCC[C@H](C(=O)N2CCOCC2)C1 252508855 XWABVNLVACMCAQ-AWEZNQCLSA-N 314.495 2.089 0 40 DEAB CCN1C(=O)C[C@@H](C(=O)N(C)CCOC)[C@@H]1c1ccccc1C 257275363 NPABGHYITAOHIQ-WBVHZDCISA-N 318.417 2.009 0 40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@H](c4cnccn4)C3)cn2c1 257313849 UUJOAPVZNYJHNP-AWEZNQCLSA-N 321.384 2.453 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3cscn3)C[C@@H]21 257312153 UMRNYGAREXVTKY-VHDGCEQUSA-N 315.446 2.280 0 40 DEAB CN1CCC2(CCN(c3ncnc4c(F)cccc34)CC2)C1=O 444874025 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Cc1ccc(N2CCCS2(=O)=O)cc1NC(=O)c1ccco1 5339326 GCFRMORPSPPDAU-UHFFFAOYSA-N 320.370 2.380 0 40 DEAB CCOC(=O)[C@@H](C)Sc1ccc(NC(=O)c2ccco2)nn1 11739116 GWTYDOKJSPKIBW-SECBINFHSA-N 321.358 2.366 0 40 DEAB CCN(Cc1ccco1)S(=O)(=O)c1ccc2c(c1)CCO2 40091365 XVXRZNOQBUAPLL-UHFFFAOYSA-N 307.371 2.425 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)C1 40160579 VHPWCTZVIXHPLO-OLZOCXBDSA-N 323.364 2.395 0 40 DEAB CC(=O)NCCNC(=O)c1ccc(CSc2ccccc2)o1 30547709 MRXPJHFIBXAWOZ-UHFFFAOYSA-N 318.398 2.438 0 40 DEAB C[C@@]1(c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)NC(=O)NC1=O 40535846 ARNUIXVXMIFDLV-DIFFPNOSSA-N 313.357 2.036 0 40 DEAB COc1ccc(CCC(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1 29388330 OSTQJXDZXNASDF-UHFFFAOYSA-N 314.267 2.403 0 40 DEAB O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccco1 303746 WVQQZCDOASMEJW-UHFFFAOYSA-N 313.279 2.300 0 40 DEAB CC[C@H](CNC(=O)Nc1cn[nH]c1)N1CCc2ccccc2C1 46309956 ISYICONMCVXADS-MRXNPFEDSA-N 313.405 2.368 0 40 DEAB CCn1c(COc2ccccc2)nnc1S[C@@H](C)C(=O)O 4169163 WCHFPFHETAECNK-JTQLQIEISA-N 307.375 2.442 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 6416166 YYWGWDHOQFTBMX-LLVKDONJSA-N 322.361 2.131 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(F)cc2)no1 12028855 IQAQCECJXXNMPF-ZDUSSCGKSA-N 317.320 2.365 0 40 DEAB CNS(=O)(=O)CCCN1C[C@@H](C)C[C@@H]1c1cccc(F)c1 76089592 PLJONMZHZSNIIQ-SWLSCSKDSA-N 314.426 2.148 0 40 DEAB Cc1cc(COC(=O)c2ccccc2N2CCCC2=O)no1 8004188 ZZTQDESZOUTRFV-UHFFFAOYSA-N 300.314 2.467 0 40 DEAB CCn1cc(C(=O)N[C@H](C)COC)c(=O)c2cc(Cl)ccc21 22234991 FPAKONKNPZDKCO-SNVBAGLBSA-N 322.792 2.440 0 40 DEAB COc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1 800658 QZIUYCNGANKWHR-ZDUSSCGKSA-N 316.401 2.497 0 40 DEAB O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccncc1 23449790 UTPDGMLNJGLXGW-UHFFFAOYSA-N 317.732 2.099 0 40 DEAB COc1ccc(C(C)=O)c(O[C@H](C)C(=O)NCC(F)(F)F)c1 23631001 OKAXSBSWCKASMH-SECBINFHSA-N 319.279 2.344 0 40 DEAB COc1cccc([C@H](CNc2cc(Cl)nc(N)n2)N(C)C)c1 24056489 XVONKFWZRRYGQT-LBPRGKRZSA-N 321.812 2.436 0 40 DEAB CN(Cc1ccsc1)C(=O)c1ccc2c(c1)OCC(=O)N2 24384801 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O=C(NC[C@@H](Cc1ccccc1)C(=O)O)c1cc(Cl)c[nH]1 97035964 KASIEQAIFIESRJ-LLVKDONJSA-N 306.749 2.341 0 40 DEAB C[C@H]1CN([C@@H](CNCc2ncc[nH]2)c2cccs2)CCO1 72273395 PLBBJZPHIIPILA-STQMWFEESA-N 306.435 2.023 0 40 DEAB CC(C)C(=O)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 96001093 RLCMWPPNDXUJRQ-CYBMUJFWSA-N 301.346 2.293 0 40 DEAB Cc1cc(C(=O)NCc2ccc(F)cc2)nc(N2CCCC2)n1 72239891 VKORBOPOSSLDBW-UHFFFAOYSA-N 314.364 2.454 0 40 DEAB Cc1cnc(CN(C)[C@H]2CCN(CCc3ccncc3)C2)o1 84258908 QTHFHKARXLMVMK-INIZCTEOSA-N 300.406 2.127 0 40 DEAB CCOc1ccc(CNC(=O)[C@@H]2CCCN2C(C)=O)cc1C 78917371 SKPOCLBJAHYHNE-HNNXBMFYSA-N 304.390 2.021 0 40 DEAB CS(=O)(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 71795711 SCUVJGRVQZVJJS-UHFFFAOYSA-N 319.386 2.380 0 40 DEAB NC(=O)[C@H]1CCCC[C@@H]1NCc1ncccc1C(F)(F)F 97113853 CUFNXQQOWWDVNO-ONGXEEELSA-N 301.312 2.234 0 40 DEAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCO[C@H]3CCC[C@@H]31)C2 71846778 LWOAOWYJLWCCGN-KBMXLJTQSA-N 317.385 2.026 0 40 DEAB Cc1cnn(CCNC[C@@H](O)c2cccc(Br)c2)c1 71872114 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2.040 0 40 DEAB Cc1ccc(CN2CCO[C@H](CCc3cc(O)ncn3)C2)s1 257209676 BRKWWRBWBKTDAQ-CQSZACIVSA-N 319.430 2.386 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cc[nH]n2)C1 585275053 UYEGEURKNGZLSP-KRWDZBQOSA-N 301.390 2.388 0 40 DEAB Cn1cccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585279177 WTBNDOWBAACNMK-IRXDYDNUSA-N 316.376 2.372 0 40 DEAB Cc1ccccc1C[C@H]1CCN(C(=O)Cc2ccncc2)C[C@@H]1O 585279948 UFSLHGDNPSLCIQ-MOPGFXCFSA-N 324.424 2.385 0 40 DEAB O=C(CN1CCC[C@H](N2CCCCCC2)C1)NCC(F)(F)F 69973471 VFQHYKGVPZSFIO-ZDUSSCGKSA-N 321.387 2.005 0 40 DEAB CCn1c(=O)n(CC(=O)N2[C@H](C)CCC[C@H]2C)c2cccnc21 12117536 WQYWTWDHKVQMEW-CHWSQXEVSA-N 316.405 2.007 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100624510 ZBZCASVMQIQUTN-XUXIUFHCSA-N 303.358 2.374 0 40 DEAB Cn1ncc(Br)c1NC(=O)c1ccccc1C(=O)O 160071 CBALICAKIFITIM-UHFFFAOYSA-N 324.134 2.133 0 40 DEAB Cn1cncc1CN1CCC[C@H](O)[C@@H]1Cc1cccc(F)c1 643914176 NKEJWFONGVUFAR-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB CN(C)[C@H](CNC(=O)[C@H]1CCOC1)c1cc2ccccc2o1 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301.733 2.179 0 40 DEAB O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1ccccn1 96239158 JDKFRWHEGPRURK-GOSISDBHSA-N 308.385 2.106 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccco2)CCO1 92018164 GJZIIYRTULAXMM-TZMCWYRMSA-N 310.394 2.394 0 40 DEAB COC(=O)CN1C(=O)C(C)(C)c2cc(NC(=O)C(C)C)ccc21 96182208 RHWCFXOLDLYLOE-UHFFFAOYSA-N 318.373 2.078 0 40 DEAB CC[C@@H](C)c1csc(N(C)C(=O)[C@H](C)CS(C)(=O)=O)n1 96446289 NUMUZGVHAKBDRK-NXEZZACHSA-N 318.464 2.300 0 40 DEAB Cc1cc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)no1 96207165 FEGIVMNMJVHDSN-OAHLLOKOSA-N 316.405 2.238 0 40 DEAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2nnc(C)s2)C1 330644047 FZFVWJSWYZWVOY-DGCLKSJQSA-N 310.467 2.363 0 40 DEAB Cc1c(Br)cccc1NC(=O)NCC[S@](C)=O 96434519 BKXDZJCYRORDGE-QGZVFWFLSA-N 319.224 2.258 0 40 DEAB O=C(C1CC1)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96206953 DHDAJBRARJZMKF-WMZOPIPTSA-N 316.401 2.158 0 40 DEAB O=C1CC[C@H]2[C@H](CCN2C[C@@H]2CCOC2)N1c1ccccc1 96186443 XXMVPFZMHZSBTL-XIRDDKMYSA-N 300.402 2.293 0 40 DEAB Cn1nccc1CN(CCN)c1cccc(Br)c1 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C[C@H](CN1CCN(C)CC1)Nc1ccnc2cc(F)ccc12 78695700 JUIQQVHMYCTWTM-CYBMUJFWSA-N 302.397 2.422 0 40 DEAB COc1ccc([C@H](C)NC(=O)C2CCN(C)CC2)cc1OC 174675736 NZXHZOACKSVRAO-LBPRGKRZSA-N 306.406 2.223 0 40 DEAB Cc1nc(CNC(=O)NCc2ccc3c(c2)OCO3)cs1 42841427 PDQALLVHYIQTBZ-UHFFFAOYSA-N 305.359 2.180 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4CC[C@H](O4)[C@@H]3C2=O)c(OC(F)F)c1 102015004 YGPJYSBLOZEZIL-UKJIMTQDSA-N 323.295 2.263 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)NC(C)=O)cc1OC1CCCC1 24505676 IBNVQVOQGRRDGN-LLVKDONJSA-N 320.389 2.480 0 40 DEAB O=C(Nc1cccc2c1OCCO2)[C@H]1CC=CC[C@H]1C(=O)O 55151434 PPDFIIFXPDURIG-WDEREUQCSA-N 303.314 2.063 0 40 DEAB CCN1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831814 KDXHXIQYXJAXSM-VXIBKDFQSA-N 324.509 2.216 0 40 DEAB CN(C)[C@H](CNC(=O)Nc1nnc(C2CC2)s1)c1ccco1 43360267 JKOOGOAQOPGJJW-SNVBAGLBSA-N 321.406 2.433 0 40 DEAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)n1N 3296311 PURQRHKRZTUGMD-UHFFFAOYSA-N 317.418 2.217 0 40 DEAB COc1cccc(-n2nnc(C(=O)NCC3CCC3)c2C)c1 26146229 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CS(=O)(=O)Nc1ccccc1NC(=O)c1ccc(F)cc1 28020601 GRGXRZVEROQOCG-UHFFFAOYSA-N 308.334 2.450 0 40 DEAB O=C(O)[C@H]1CCN(Cc2ccc(F)cc2Br)C1 62134252 ZDMBWDWWNQPUFO-VIFPVBQESA-N 302.143 2.495 0 40 DEAB CCN1CCO[C@@H](CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 2351341 HNXZAHUARUDKQH-LBPRGKRZSA-N 314.744 2.055 0 40 DEAB O=C(NCc1cc[nH]n1)N(Cc1cccs1)C[C@H]1CCCO1 48230506 MTDXFOSJJHJTNC-CYBMUJFWSA-N 320.418 2.362 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)c1ccc(S(C)(=O)=O)c(F)c1 76041320 UJFNWLOIUJBFKY-SECBINFHSA-N 311.334 2.313 0 40 DEAB Cc1ccnc2nc(C(=O)OCc3ccccc3Cl)nn12 8346094 CVRXJUXKJLQRNG-UHFFFAOYSA-N 302.721 2.443 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)c1 76018601 UWCKLNLAMPKURX-GOEBONIOSA-N 317.433 2.154 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](CC(C)C)C1=O 3597192 SHJZNQDMAVHFFW-CYBMUJFWSA-N 317.389 2.208 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@@H](C)C(C)C)c1C 3531974 HBIVNKSRCDUOKF-JTQLQIEISA-N 308.378 2.152 0 40 DEAB COc1cccc(C(=O)NCCCn2nc(C)cc2C)c1OC 23246327 ZNECOPPMRGRNGP-UHFFFAOYSA-N 317.389 2.337 0 40 DEAB Cc1cc(C)c(C(N)=O)c(NCCc2ccc3c(c2)OCO3)n1 12905921 GEBZPONBNJMJOO-UHFFFAOYSA-N 313.357 2.181 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CS(C)(=O)=O 49003178 AFSSJAPWGQNINI-CYBMUJFWSA-N 300.420 2.077 0 40 DEAB CC(C)N(CC(F)(F)F)C(=O)CN1CCO[C@@H]2CCCC[C@H]21 63567925 FVVQACVWZMAHRA-CHWSQXEVSA-N 322.371 2.429 0 40 DEAB CCO[C@@H](C)C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 63987659 UCUNFLKLPPSMNE-ZJUUUORDSA-N 307.325 2.478 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2Cc2nnc(C3CC3)n2C)c1 69706031 HJRHQUGUKZGUDF-OAHLLOKOSA-N 314.437 2.252 0 40 DEAB COc1ccc(-n2nnnc2SCC2CCOCC2)cc1 69772558 FOQYSIGSTQPGRG-UHFFFAOYSA-N 306.391 2.190 0 40 DEAB O=C(Nc1ccncc1)N1CCN(c2ncccc2Cl)CC1 65586193 RRUDHXQRFBPWTC-UHFFFAOYSA-N 317.780 2.484 0 40 DEAB C[C@H]1C[C@@H](C)CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 14110347 AORKHEVBTUITDH-OKILXGFUSA-N 317.433 2.411 0 40 DEAB Cc1ccc2nc(CNC(=O)N3C[C@H](C)OC(C)(C)C3)cn2c1 65690339 RFDVXNCZIMKGRC-ZDUSSCGKSA-N 316.405 2.352 0 40 DEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@H]2C[C@H]2C)c1C 14637687 LYDKTHKXBTUVEL-MFKMUULPSA-N 310.419 2.148 0 40 DEAB COc1cccc(CNC(=O)COc2ncnc3ccccc23)c1 6881732 ASEGYBMGGMKTTJ-UHFFFAOYSA-N 323.352 2.334 0 40 DEAB Cc1ccc(Cl)c(OCC(=O)NCC(=O)NC(C)(C)C)c1 6985698 QKAMQVQYDZURGO-UHFFFAOYSA-N 312.797 2.058 0 40 DEAB CCOC(=O)CN(Cc1ccccc1)C(=O)C[C@@H]1CCCO1 67113264 TWIYHNIAKIGMTK-HNNXBMFYSA-N 305.374 2.147 0 40 DEAB CCc1cc2c(SCC(=O)N3CCOCC3)ncnc2s1 9512469 JFZHGKIPDMJABC-UHFFFAOYSA-N 323.443 2.205 0 40 DEAB Cc1nc(CN(C)[C@@H]2CCN(Cc3cccc(F)c3)C2)no1 78890935 LCJBMADSOILRRC-OAHLLOKOSA-N 304.369 2.223 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(N2CCOC2=O)cc1 71819504 AIZSRFXVEMGXBO-UHFFFAOYSA-N 320.345 2.473 0 40 DEAB COc1ccccc1CC(C)(C)NC(=O)CCN1CCCC1=O 71847680 ZVWYYSKTYPOHBF-UHFFFAOYSA-N 318.417 2.145 0 40 DEAB C[C@H]1CC(=O)NCCN1c1nc(C(F)(F)F)nc2ccccc12 71889433 UZSHKRMPXFJXOL-VIFPVBQESA-N 324.306 2.363 0 40 DEAB CCN1C[C@H](CN(C)C(=O)c2ccncc2)Oc2ccccc21 71896575 BCPHGRNMYMSZFN-HNNXBMFYSA-N 311.385 2.441 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 83820205 MGBBIODIQPBWSO-JTQLQIEISA-N 319.390 2.338 0 40 DEAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)Nc1nccs1 84618238 TZWYKEMEQKTVHP-SNVBAGLBSA-N 319.390 2.179 0 40 DEAB CN(C1CCCC1)C(C)(C)C(=O)OCc1cccc(C(N)=O)c1 95466531 DOEHTQYMSPVTDF-UHFFFAOYSA-N 318.417 2.482 0 40 DEAB Cc1cc(C(=O)NCc2ccccc2-n2nc(C)cc2C)n(C)n1 95415645 AHMUEJLPESBUFE-UHFFFAOYSA-N 323.400 2.461 0 40 DEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)NCc1ccccn1 95954818 RERFMLBYDWOTFH-GOSISDBHSA-N 323.396 2.234 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)N[C@H](C)[C@H](C)CO 95984923 LDAOQRIKWFBIMR-CHWSQXEVSA-N 302.378 2.319 0 40 DEAB C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)Cn1ccnn1 89335974 GMYPJJOPZLYDDJ-VIFPVBQESA-N 313.188 2.332 0 40 DEAB CCC(=O)Nc1ccc(Oc2ccc(S(N)(=O)=O)cc2)cc1 75134688 JZIULVDGBGAUKJ-UHFFFAOYSA-N 320.370 2.475 0 40 DEAB Cc1cccn2c(CN[C@@H](C)c3nnc4n3CCCC4)cnc12 89700459 FSZDBFFTDSFRBL-ZDUSSCGKSA-N 310.405 2.421 0 40 DEAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cnc2c(C)cccn12 89949139 NQFJFVJWFBSNJH-NVXWUHKLSA-N 314.433 2.379 0 40 DEAB Cc1ncsc1CN1CCC[C@H]1c1[nH]ncc1C(=O)N(C)C 72366177 GNGMNCYLQIJPIH-LBPRGKRZSA-N 319.434 2.214 0 40 DEAB CCOc1ccc(NC(=O)N[C@H]2CCCNC2=O)cc1Cl 78394870 NCSVURSLGPKEHO-NSHDSACASA-N 311.769 2.139 0 40 DEAB CCOCCC(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O 189928383 CMLPDJBYLYLEFO-HNNXBMFYSA-N 318.417 2.260 0 40 DEAB Cc1nc2cc(NC(=O)[C@@H]3CSCCC(=O)N3)ccc2s1 75171461 VDJIVHZBUPPRCS-NSHDSACASA-N 321.427 2.165 0 40 DEAB Cc1nc(C(C)C)ccc1Cn1nnnc1C1CCOCC1 521394827 RBSVVKXMBMRJPT-UHFFFAOYSA-N 301.394 2.442 0 40 DEAB CCn1ccc2nc3ncnn3c(-c3ccc(F)cc3)c2c1=O 40398285 DMKARCVURPXYES-UHFFFAOYSA-N 309.304 2.265 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@@]23C=C[C@@]12CCC3 45070633 USHCDBVHPUUUJH-FDCRZUCXSA-N 319.364 2.193 0 40 DEAB CCO[C@@H](C)c1nccn1[C@H]1CCN(CC(F)(F)F)C1=O 195564502 HJNXHQKKZQSFRB-UWVGGRQHSA-N 305.300 2.316 0 40 DEAB COCCNC(=S)Nc1ncc(C)cc1Br 223884686 BUOUIZXPPQZISX-UHFFFAOYSA-N 304.213 2.085 0 40 DEAB Cc1cc(C(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)co1 575349376 MXBKPYZXICWCNT-INIZCTEOSA-N 312.369 2.161 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(=O)n(C)c2)C1(CC)CC 81614681 LUIAGIORABAWHL-HUUCEWRRSA-N 320.433 2.441 0 40 DEAB COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cccc(N(C)C)c1 84810519 VRGAROPLKDDAIK-GJZGRUSLSA-N 304.390 2.214 0 40 DEAB O=C([C@@H]1CCc2[nH]cnc2C1)N1CCC(C(F)(F)F)CC1 225512889 TYRKBNAEZSPJTA-SECBINFHSA-N 301.312 2.316 0 40 DEAB Cn1cc(C(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cn1 194907446 JAUJTDDCWDRHCR-UHFFFAOYSA-N 315.348 2.294 0 40 DEAB Cc1ccc(Cl)c(OC[C@H](O)CN(C)c2cnn(C)c2)c1 97373558 SMIRQOYUPWOCCV-CYBMUJFWSA-N 309.797 2.258 0 40 DEAB CCC(CC)(NC(=O)c1ncoc1-c1cccs1)C(N)=O 96404800 HIRPWWSPOGYWOX-UHFFFAOYSA-N 307.375 2.177 0 40 DEAB Cc1cnc(N2CCC3(CC2)CCN3c2nccs2)nc1 96078008 YBGZKNDFVHYJEC-UHFFFAOYSA-N 301.419 2.491 0 40 DEAB Cc1cc(-n2cncn2)ccc1C(=O)OCCc1cccnc1 96441971 ZDGXKDHIEAEOIQ-UHFFFAOYSA-N 308.341 2.370 0 40 DEAB CC(C)N(CCN(C)C)C(=O)Nc1cccc(-n2ccnn2)c1 97237784 VJRMKIZZGRAKBP-UHFFFAOYSA-N 316.409 2.071 0 40 DEAB CC(C)CCN1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1 96187412 YDSCSSZCFWCLLG-CYBMUJFWSA-N 304.438 2.438 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)CCn2cc(C)cn2)C12CCCC2 96432501 VPJXXALHJFUYIM-GJZGRUSLSA-N 305.422 2.436 0 40 DEAB CSC[C@H](NS(=O)(=O)c1cccnc1)c1ccccc1 96413036 DBZLTAMIMUSUNJ-AWEZNQCLSA-N 308.428 2.464 0 40 DEAB COc1ccc(CCc2n[nH]c(NC(=O)C(C)C)n2)cc1OC 95472250 FUOHRPOOQODPDA-UHFFFAOYSA-N 318.377 2.202 0 40 DEAB Cc1cc(CNC(=O)NCc2cccc(N(C)C)n2)c(C)o1 95437568 RBJLQZRDCSMIHM-UHFFFAOYSA-N 302.378 2.357 0 40 DEAB CN(C)C(=O)COCC[C@H]1CN(C2CCCC2)Cc2cccn21 248031989 UCEHEXXSBAGHDW-KRWDZBQOSA-N 319.449 2.282 0 40 DEAB O=C(c1cccc2ccccc12)N1CCN(C[C@H](O)C2CC2)CC1 85436641 UWORKXQVFMKCIQ-IBGZPJMESA-N 324.424 2.369 0 40 DEAB Cc1ccc(C)c(Cc2nc(C(C)(C)NS(C)(=O)=O)no2)c1 273989211 WITJJLMRWRUNFD-UHFFFAOYSA-N 323.418 2.062 0 40 DEAB O=C(/C=C/c1ccccc1)NCCn1ccnc1-c1cnccn1 575610659 WYUBWFBKEMBGRW-VOTSOKGWSA-N 319.368 2.170 0 40 DEAB COCCN(CC(=O)N(C)C)Cc1ccc(F)cc1Cl 51920644 RTLVGDNXXFEDNI-UHFFFAOYSA-N 302.777 2.016 0 40 DEAB O=C(Cc1cccc(F)c1)NC[C@H](O)COc1ccc(F)cc1 67147087 UPLSTAFKRRMETD-HNNXBMFYSA-N 321.323 2.063 0 40 DEAB COc1ccc(C[C@H](C)N(C)C(=O)c2nccn3ccnc23)cc1 73226442 WYILOECGXAFBNH-ZDUSSCGKSA-N 324.384 2.441 0 40 DEAB O=C(c1ccc(Cl)s1)N1CC(OC[C@H]2CCOC2)C1 1565522034 NWJZYSPRJBLAEF-VIFPVBQESA-N 301.795 2.279 0 40 DEAB CC(C)[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 98097716 NMLVNSNOQCKODU-TZMCWYRMSA-N 308.447 2.442 0 40 DEAB COc1cc(C(=O)N2CCC(c3nc[nH]n3)CC2)ccc1C 82981304 IWCARNQHVXZSSA-UHFFFAOYSA-N 300.362 2.142 0 40 DEAB O[C@H](COCc1cccs1)Cn1cc(Br)cn1 95438762 UTUQFBQEHMZSSG-JTQLQIEISA-N 317.208 2.285 0 40 DEAB COc1ccccc1C1(NC(=O)CCn2cncn2)CCCC1 12143082 MVTNLEAPDNLGOA-UHFFFAOYSA-N 314.389 2.263 0 40 DEAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)N1CCCC1 19937664 VHLKVPBOCWSSJY-UHFFFAOYSA-N 317.776 2.255 0 40 DEAB O=C(Cn1cncn1)N1CCS[C@@H](c2cccs2)CC1 219509408 ILCMSFGKTGVZST-GFCCVEGCSA-N 308.432 2.046 0 40 DEAB O=C(Cc1ccsc1)N1CCC(Oc2cnsn2)CC1 618256802 MRBVADGPJDLXNB-UHFFFAOYSA-N 309.416 2.212 0 40 DEAB COc1ccc(-c2ccccc2C[C@@H]2CNCCNC2=O)cc1 19558407 LPYJUYWXNZRDTR-MRXNPFEDSA-N 310.397 2.240 0 40 DEAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C)n(C)n2)c1 1889122752 CPIQOADPGCAQLI-YIONKMFJSA-N 313.405 2.242 0 40 DEAB O=C(CCC(F)(F)F)N1CCC[C@@H](COc2ncccn2)C1 1776001917 SINHEEQUIMBFNT-LLVKDONJSA-N 317.311 2.437 0 40 DEAB Cc1cc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)nc(C)n1 585147394 LULFLWPOSGMTFC-ZDUSSCGKSA-N 317.414 2.377 0 40 DEAB C[C@H]1CCCCN1CN1C(=S)SC2=NC(=O)CCCN21 23153912 SLDGIUCEYJFLOO-JTQLQIEISA-N 312.464 2.045 0 40 DEAB COc1ccc(OCc2nc(CCC(C)C)no2)c(C(N)=O)c1 51969193 LNMUTTJCSHUWGE-UHFFFAOYSA-N 319.361 2.345 0 40 DEAB C[C@H]1COCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 31664508 SLKJLWHOIWXTMV-HNNXBMFYSA-N 317.433 2.081 0 40 DEAB CC(C)c1noc([C@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 40540616 SDWPUNGMJYOEHK-JSGCOSHPSA-N 320.437 2.492 0 40 DEAB CNC[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 40598114 DFFKEJBXYZSUGH-SNVBAGLBSA-N 320.817 2.099 0 40 DEAB Cn1cc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cn1 40512511 CXYQFZAHSPAQPA-UHFFFAOYSA-N 321.764 2.416 0 40 DEAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(C2CCCC2)C1 219859 GOVAFYBUQALZGK-OAHLLOKOSA-N 300.402 2.136 0 40 DEAB CN(CC(=O)N(C)C)Cc1csc(Cc2ccccc2)n1 51588509 PMIGIZXGIQCKGK-UHFFFAOYSA-N 303.431 2.254 0 40 DEAB Cc1nccn1C[C@@H](O)COc1ccc(Br)cc1 72691 POGJSQPSIHEGHR-GFCCVEGCSA-N 311.179 2.394 0 40 DEAB CCC(=O)N1C(=O)NC(C)=C(C(=O)OC)[C@H]1c1ccccc1 197468 TUEKTYXTFDLNCF-CQSZACIVSA-N 302.330 2.137 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccnn1C 75602416 DBMROLWUUHGNCJ-SNVBAGLBSA-N 307.785 2.093 0 40 DEAB CC(=O)Nc1ccc(N[C@H](C)C(=O)NCC(F)(F)F)cc1C 32771590 REDGVEMRDDTVCO-SECBINFHSA-N 317.311 2.432 0 40 DEAB O=C1CC(Cc2nn(-c3ccccc3)c3c2CCCC3)CC(=O)N1 1703450 DQNVBFVHKNIFFB-UHFFFAOYSA-N 323.396 2.346 0 40 DEAB COC(=O)[C@H](C)OC(=O)c1cc2ccc(OC)cc2nc1C 32865267 SCYYVTZEWUABQB-JTQLQIEISA-N 303.314 2.270 0 40 DEAB Cc1nnc(SCC(=O)NCC(C)C)n1-c1ccccc1 6109265 TZUOQIZXWNOYMY-UHFFFAOYSA-N 304.419 2.440 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)Nc1ccc2oc(C3CC3)nc2c1 46819960 VSQVYLZWTOCKKI-SECBINFHSA-N 316.361 2.351 0 40 DEAB CN(Cc1ccccc1)C(=O)NCCN1CCCCCC1=O 47085830 DWGALQCBFIZZFZ-UHFFFAOYSA-N 303.406 2.231 0 40 DEAB Cc1cc(OC(=O)c2c(C)cc(O)cc2O)cc(O)c1C(=O)O 901518 HEMSJKZDHNSSEW-UHFFFAOYSA-N 318.281 2.338 0 40 DEAB biogenic,in-vitro CC1CCN([C@@]23Oc4ccc(O)cc4[C@H]2CCCNC3=O)CC1 12417795 QILZHPNVVSKKIW-CRAIPNDOSA-N 316.401 2.206 0 40 DEAB OCCCNc1nc(N2CCCCC2)nc2c1SCCC2 9134443 GYMSSFGQFOJVOL-UHFFFAOYSA-N 308.451 2.300 0 40 DEAB CCOC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1 23798765 CXCNESKDIXGVAX-UHFFFAOYSA-N 304.390 2.275 0 40 DEAB O=C(NCc1nnc2n1CCC2)Nc1cc(Cl)ccc1F 43527834 UWJVLELEFDQKCS-UHFFFAOYSA-N 309.732 2.339 0 40 DEAB CCOc1ccc(O[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 174068747 QUIQYKSZCGRFJA-HNNXBMFYSA-N 315.373 2.312 0 40 DEAB Nc1nnc(SCCC(=O)Nc2cccc(F)c2)n1C1CC1 57932906 WDSXHAYOMXZFMI-UHFFFAOYSA-N 321.381 2.455 0 40 DEAB CCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccsc2)C1 57994640 MJZRTAXJDGOOOT-GXTWGEPZSA-N 323.462 2.237 0 40 DEAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(C)=O)cc1 2043929 SPMMAHJYBADDSE-KRWDZBQOSA-N 312.369 2.381 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 27476310 RVPSOCMAHUBHNY-UHFFFAOYSA-N 307.202 2.359 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 3260352 HVGAMVZZOIXMIG-UHFFFAOYSA-N 315.373 2.188 0 40 DEAB Cc1ccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)nc1 44894897 GAHCFTMXGNRRCE-UHFFFAOYSA-N 310.357 2.072 0 40 DEAB COc1ccc(CNC(=O)COC(=O)CC2CCCC2)cc1 3253970 LUZXECPMDUTFQG-UHFFFAOYSA-N 305.374 2.435 0 40 DEAB CCN(CC)c1ccc(CNC(=O)Cc2c(C)noc2C)cn1 44952598 AYGJYONCYLVZLP-UHFFFAOYSA-N 316.405 2.392 0 40 DEAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCOC[C@@H]1C 44912533 RJZHKRSNHIGPAQ-JTQLQIEISA-N 303.387 2.374 0 40 DEAB Cn1cc(CCC(=O)N[C@@H]2CCC[C@H]2Oc2ccccc2)cn1 79033015 DOTQLHTVWKZESX-IAGOWNOFSA-N 313.401 2.469 0 40 DEAB CCS[C@@H]1CC[C@]1(O)CNC(=O)c1ccc(F)c(F)c1 79001109 TWDLXLZEFQLZNW-OCCSQVGLSA-N 301.358 2.341 0 40 DEAB Cc1cccnc1NC(=O)Cn1c(C)nc2ccccc2c1=O 45133192 SFQPUEZIPYWAIS-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccsc2C(N)=O)cc1C 79106512 GWIMPMMZYHAUEV-UHFFFAOYSA-N 310.400 2.265 0 40 DEAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@@H]1c1ccoc1 36611862 YNTPCEPRNKNWEE-SNVBAGLBSA-N 306.347 2.055 0 40 DEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCCC[C@H]2C)c1 3461659 AGXIPBPHNIJEMI-GFCCVEGCSA-N 318.373 2.203 0 40 DEAB O=C(Oc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1)c1ccco1 3651417 KMZOGWVAUXDYSK-WCQYABFASA-N 319.338 2.287 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3nccs3)C2)n1 171643722 DITYRIGFUCQDKB-CYBMUJFWSA-N 304.419 2.363 0 40 DEAB NC(=O)c1ccc(C(=O)N2CCCc3c(F)cc(F)cc32)nc1 63475384 HVGCMCGPPKGWEU-UHFFFAOYSA-N 317.295 2.052 0 40 DEAB O=C(Cc1cccc(O)c1)NCCCn1cnc2ccccc21 63541560 XDXBXTUURGBWQF-UHFFFAOYSA-N 309.369 2.491 0 40 DEAB COc1cc(CNCCn2cc(C)cn2)c2c(c1)C[C@H](C)O2 69917897 SDTBEDXJYBHLSL-ZDUSSCGKSA-N 301.390 2.313 0 40 DEAB COC(CNC(=O)COc1ccc(Cl)cc1Cl)OC 4394396 YINUIUNFVLGJGT-UHFFFAOYSA-N 308.161 2.107 0 40 DEAB CN(CCNC(=O)C1CCN(Cc2ccccc2)CC1)C1CC1 65451867 QSVWXMROJBMAEP-UHFFFAOYSA-N 315.461 2.109 0 40 DEAB O=C(Nc1ccc2ccccc2c1)N[C@H]1CCS(=O)(=O)C1 4559443 ABRPLZLGWGPXKQ-AWEZNQCLSA-N 304.371 2.148 0 40 DEAB CC(=O)NCCSCC(=O)Nc1ccc(F)c(Cl)c1 6586149 BVPATBABCPIVBY-UHFFFAOYSA-N 304.774 2.287 0 40 DEAB OCCN(Cc1nc2ccccc2[nH]1)Cc1nc2ccccc2[nH]1 4626569 WADLVBMBMXPRRW-UHFFFAOYSA-N 321.384 2.434 0 40 DEAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc(Cl)c1 8981932 VOTYNIXKNKEYGN-UHFFFAOYSA-N 324.789 2.264 0 40 DEAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1ccc(Cl)cn1 4825516 RKUDETIOYAOYGY-SECBINFHSA-N 309.778 2.488 0 40 DEAB O=S(=O)(NCC1(c2cccs2)CCCC1)N1CCCC1 71186234 SEQVYQFLLZERBP-UHFFFAOYSA-N 314.476 2.490 0 40 DEAB CC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2 7078722 KNTJHYYKGVNXMP-ZETCQYMHSA-N 300.152 2.417 0 40 DEAB C[C@H](C(=O)N1CC(=O)Nc2ccccc21)N1CCc2ccccc21 7348270 PMZCIPARPPGQSJ-CYBMUJFWSA-N 321.380 2.423 0 40 DEAB CCC1(CC)Cc2ccccc2-c2nc(NCCO)[nH]c(=O)c21 15979558 MBCNBIJDGYZRSY-UHFFFAOYSA-N 313.401 2.455 0 40 DEAB Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCCCC1 7604434 PIONDRSADAPKDS-UHFFFAOYSA-N 322.430 2.062 0 40 DEAB Cc1cc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)on1 8156001 SEUZQAKQDCEHTO-HNNXBMFYSA-N 317.370 2.328 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2nccs2)c1 70013657 CLMGJPDIGPZNLW-ZDUSSCGKSA-N 304.419 2.272 0 40 DEAB O=c1[nH]c2ccccc2nc1-c1c[nH]n(-c2ccccc2)c1=O 16974540 UTYOBEQVFBAWGV-UHFFFAOYSA-N 304.309 2.069 0 40 DEAB O=C(Nc1cccc2cccnc12)[C@H]1CCCCS1(=O)=O 96011674 FLTVDBGITBZBBB-CYBMUJFWSA-N 304.371 2.141 0 40 DEAB CN1CCC(NC(=O)Nc2ccc3c(c2)CCCC(=O)N3)CC1 71799371 KYCNFDBOPAKCIX-UHFFFAOYSA-N 316.405 2.177 0 40 DEAB Cc1cc([C@H]2CCCN(CC(=O)N3CCc4ccccc43)C2)n[nH]1 84110910 WTAMNLWYGIONSK-INIZCTEOSA-N 324.428 2.487 0 40 DEAB C[C@H](N1CCN(C(=O)CCc2ccccn2)CC1)C(F)(F)F 96454441 VYNOYFCBVPPZBL-LBPRGKRZSA-N 315.339 2.109 0 40 DEAB CC(C)CO[C@@H]1C[C@@H](NCC2CCS(=O)(=O)CC2)C1(C)C 97034802 XSUUWLSUVMPNPQ-HUUCEWRRSA-N 317.495 2.241 0 40 DEAB O=C(O)[C@@H]1CCCCN1C(=O)c1coc(-c2ccccc2)n1 97017577 XQPCINKYQDABGC-ZDUSSCGKSA-N 300.314 2.421 0 40 DEAB COc1ccc(C)cc1[C@@H](O)CN1CC(n2nc(C)cc2C)C1 71880735 LWMREBIPDGHXGQ-KRWDZBQOSA-N 315.417 2.407 0 40 DEAB CCn1c(CN(C)C(=O)c2ccc[nH]c2=O)nc2ccccc21 71841794 VUQOALIWEIMZEY-UHFFFAOYSA-N 310.357 2.017 0 40 DEAB O=C(OCc1nccn1C(F)F)c1cc2c([nH]c1=O)CCCC2 71890281 ZYKOZIODOLFAQS-UHFFFAOYSA-N 323.299 2.202 0 40 DEAB Cc1ccc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)cn1 97035174 APTIGIJVFLTGSS-UHFFFAOYSA-N 320.437 2.212 0 40 DEAB O=C(c1cc[nH]n1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 97048565 ZKSIIESQCXGJSM-UHFFFAOYSA-N 313.283 2.102 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2Cc3cccc(F)c3O2)no1 72299066 PPSOCEPDLQPLCI-CHWSQXEVSA-N 317.320 2.184 0 40 DEAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)no1 72232368 UUZYXNARPKAXJZ-OLZOCXBDSA-N 317.393 2.357 0 40 DEAB Cc1noc(C)c1Cc1ccc(C(=O)NCCCN(C)C)o1 28239933 OJTHLINDZYXEKR-UHFFFAOYSA-N 305.378 2.157 0 40 DEAB Cc1nc(COC(=O)c2c[nH]nc2-c2ccccc2F)no1 97135146 BQGSSGPWKWCZQD-UHFFFAOYSA-N 302.265 2.264 0 40 DEAB CC(C)c1nnc2n1C[C@@H](NC(=O)Cc1ccsc1)CC2 97199160 LIINCTNTKMAZAN-LBPRGKRZSA-N 304.419 2.137 0 40 DEAB CCOc1ccc2c(c1)c(=O)c(C(=O)NC(C)(C)C)cn2C 22237087 DGKIRDIZNOTOBL-UHFFFAOYSA-N 302.374 2.466 0 40 DEAB CNC(=O)Cc1nc(C[S@](=O)c2ccc(C)cc2C)cs1 95414510 ZEQHCUVHUXQZMS-OAQYLSRUSA-N 322.455 2.356 0 40 DEAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2C2CC2)cn1 95446011 IQYSAYFBLWLAQN-ZNMIVQPWSA-N 301.390 2.030 0 40 DEAB CC1CCC2(CC1)OC[C@@H](CNC(=O)NCc1ccco1)O2 95990384 BHSVONCJQNWMLA-CXOJTPOUSA-N 308.378 2.401 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cc1 75127275 XLKGLLSIDLWQKR-QGZVFWFLSA-N 312.417 2.422 0 40 DEAB c1nc(N2CCCC[C@H]2CN2CCOCC2)c2ccsc2n1 89885389 ISYZINDCZITPNH-ZDUSSCGKSA-N 318.446 2.382 0 40 DEAB CC(C)Oc1ncc(C(=O)N2CCN(C)C[C@H]2C)cc1Cl 89938351 JZOZPRCPMIBGRL-LLVKDONJSA-N 311.813 2.298 0 40 DEAB CN1CCC(NC[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 519697104 DVLDKLQLRAUTCF-QGZVFWFLSA-N 320.477 2.408 0 40 DEAB C[C@H](CC(=O)O)C1CCN(C(=O)N(C)C2CCOCC2)CC1 548879132 FABYKGLPCOCVNJ-GFCCVEGCSA-N 312.410 2.040 0 40 DEAB O=C(Cc1cccc2cccnc12)Nc1c[nH]nc1[C@@H]1CCNC1 1553843126 BTEVHDKVKHWJBU-CQSZACIVSA-N 321.384 2.216 0 40 DEAB C[C@@H](NC(=O)Cc1csc(-c2ccccc2F)n1)C(=O)O 36576453 RMTDVNNOFHIRAR-MRVPVSSYSA-N 308.334 2.081 0 40 DEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c2c1[C@H](C(C)C)CC(O)=N2 71283146 LEUIBSOPDYJDJP-QWRGUYRKSA-N 311.407 2.282 0 40 DEAB CC12CN3CC(c4ccccc4)(CN(C1)C3c1cccnc1)[C@H]2O 35585733 POFWTFIVGVKMEN-MRXCCOFVSA-N 321.424 2.030 0 40 DEAB biogenic CCNc1ccc(C(=O)O)cc1S(=O)(=O)NC1CCCC1 217710213 INSVEGYDLBDNIR-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB Cc1csc(C(C)(C)NCC(=O)N(C)CC(F)(F)F)n1 72663166 UYKHURHIVCYPIU-UHFFFAOYSA-N 309.357 2.297 0 40 DEAB O=C(NO[C@H]1CCN(c2ccccc2F)C1=O)C1CCCC1 79002855 CHTCVLSBIGQTRM-AWEZNQCLSA-N 306.337 2.169 0 40 DEAB COc1cccc(OS(=O)(=O)c2cnc3onc(C)c3c2)c1 72067301 XSPGWAOCWIUQOU-UHFFFAOYSA-N 320.326 2.308 0 40 DEAB COc1cccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)c1 72239599 VNFATUBMOWPQRN-HNNXBMFYSA-N 314.341 2.418 0 40 DEAB Cc1ncc(CN[C@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762629 UXYYGAIIRHDJOX-MRXNPFEDSA-N 310.357 2.052 0 40 DEAB C[C@@H](C(=O)N(Cc1ccccc1)c1ccncc1)n1cncn1 183250629 JEELPOBRKLBLJC-AWEZNQCLSA-N 307.357 2.468 0 40 DEAB CC(C)N(Cc1ccccc1)CC1CCN(C(=O)[C@H](C)N)CC1 79415573 AHDZBSHKBXYYIP-INIZCTEOSA-N 317.477 2.483 0 40 DEAB O=C(Cc1cnccc1C(F)(F)F)NC1(C(=O)O)CCCC1 563413710 DXDGSESXJYLACU-UHFFFAOYSA-N 316.279 2.157 0 40 DEAB CN(C)C[C@H](NS(=O)(=O)C1CC1)c1ccc(Cl)cc1 225780399 KIIJUCIEJYBOGH-ZDUSSCGKSA-N 302.827 2.025 0 40 DEAB CN(C)c1ncccc1CNc1ncnc2c1ncn2C1CC1 575114484 GWGIJYCGUIKOAW-UHFFFAOYSA-N 309.377 2.234 0 40 DEAB O=C(NCCOc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 45857313 JQNRVWBCPBDELD-INIZCTEOSA-N 317.316 2.161 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C1=COCCC1 95399680 KDDJRTQLGWYBMM-CQSZACIVSA-N 320.776 2.256 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)CO1 96105765 FSFRUXILROOLBR-HNNXBMFYSA-N 304.390 2.048 0 40 DEAB c1csc(-c2noc(CSCCN3CCOCC3)n2)c1 96485723 UHMLMZUZBBBGJG-UHFFFAOYSA-N 311.432 2.364 0 40 DEAB COCCN1CC[C@]2(CCCN(Cc3ccsc3)C2)C1=O 96223957 NVUIXPKEDZFKRC-INIZCTEOSA-N 308.447 2.209 0 40 DEAB CCc1cc(CNC(=O)N[C@@H](C)CCc2cccn2C)[nH]n1 96440645 PYPMGWPVANWXMJ-LBPRGKRZSA-N 303.410 2.131 0 40 DEAB Cc1ccc(N2CCc3ncnc(-c4ccncc4)c3CC2)nn1 96083970 SZYQSPPACZVRTI-UHFFFAOYSA-N 318.384 2.242 0 40 DEAB CC[C@H](C)Oc1cc(C(=O)N(C)C[C@H]2CCN(C)C2)ccn1 96495035 DRGAGJKNOGQFOO-KBPBESRZSA-N 305.422 2.283 0 40 DEAB CCc1nc(CS(=O)(=O)c2ccc(F)c(Cl)c2)n[nH]1 97097911 DMMBHCIIGRSYRU-UHFFFAOYSA-N 303.746 2.134 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2C 252511323 ZYKBKQBOPOVFFS-LBPRGKRZSA-N 324.446 2.453 0 40 DEAB Cc1cnc(C(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)cn1 252548743 QJSXPCQWMATPPF-HDJSIYSDSA-N 312.373 2.300 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)no1 257205932 BBCLQXNTDOMQOU-LBPRGKRZSA-N 302.378 2.363 0 40 DEAB Cc1ccc(C[C@H]2CC[C@@H]3CN(C(=O)c4cnn(C)c4)C[C@@H]32)nc1 257271730 MZOLPRGOVOQYER-IIDMSEBBSA-N 324.428 2.464 0 40 DEAB CCn1nc(C)c(CNCc2ccn(CC(F)F)n2)c1F 256052927 PFKOLSVJDBTKGE-UHFFFAOYSA-N 301.316 2.102 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)n1 257260595 LDNBZOTUZONXRM-ZDUSSCGKSA-N 309.366 2.383 0 40 DEAB Cc1nc(CN2CCO[C@H](CCc3ccnc(N)c3)C2)cs1 257316689 VGOOKAXCLZFLIF-OAHLLOKOSA-N 318.446 2.262 0 40 DEAB Cc1cc(C)n2cc(COC(=O)c3scnc3C)nc2n1 51240956 UHAYPTODBOGQDQ-UHFFFAOYSA-N 302.359 2.468 0 40 DEAB Cc1ccc(-c2nc(CSCCC(=O)NC(N)=O)co2)cc1 56244438 WSJPOBXLLYHIOA-UHFFFAOYSA-N 319.386 2.468 0 40 DEAB CC(C)N1CCC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 58431627 AIWPYVSACYBWSC-AWEZNQCLSA-N 306.454 2.488 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2Cc2nnc(C3CC3)n2C)c1 69706029 HJRHQUGUKZGUDF-HNNXBMFYSA-N 314.437 2.252 0 40 DEAB COCCOc1ncccc1NC(=O)[C@@H]1CC1(Cl)Cl 95947008 DCSYGKRFZRMORB-QMMMGPOBSA-N 305.161 2.239 0 40 DEAB Cc1nc(CN2CCN(c3nc4ccccc4s3)CC2)no1 78427986 BBKYTRUNRDKPQV-UHFFFAOYSA-N 315.402 2.310 0 40 DEAB CON(C)C(=O)c1cccc(I)c1F 169800087 UMLYPCHHEDZTLZ-UHFFFAOYSA-N 309.078 2.064 0 40 DEAB CN(CC(C)(CO)CO)C(=O)c1c(Cl)cccc1Cl 97236693 ONPQQNGMFRHEDH-UHFFFAOYSA-N 306.189 2.056 0 40 DEAB O=C(/C=C/S(=O)(=O)c1ccc(Cl)cc1)NCC(F)F 14000502 QNMYUIBFCBZEGT-AATRIKPKSA-N 309.721 2.009 0 40 DEAB COc1ccc(CN2C(=O)C(Cl)=C(Cl)C2=O)c(OC)c1 1608399 SYBFPEVCOHEALP-UHFFFAOYSA-N 316.140 2.262 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=S)N(C=O)[C@H]1c1ccccc1 160713 HPBGZCZNTUFZKQ-AWEZNQCLSA-N 318.398 2.254 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCc3ccccc31)CS2 23680413 NHXAWQXILRCCMN-XJKSGUPXSA-N 302.399 2.030 0 40 DEAB Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)O)cs2)o1 13311926 SJDUMEFTZGVYIQ-QMMMGPOBSA-N 315.372 2.387 0 40 DEAB O=S(=O)(C1CC1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 245170812 XHLOGYWFLXJDFE-ZDUSSCGKSA-N 318.398 2.180 0 40 DEAB COc1ccc2c(CC(=O)NCc3ccncc3)cc(=O)oc2c1 9705220 KAQQTYKFFOFPJD-UHFFFAOYSA-N 324.336 2.056 0 40 DEAB CC(C)(C)C(=O)N1Cc2ccnn2C[C@@H](COCC2CC2)C1 2055704290 BSIQFZWRBYPQFZ-AWEZNQCLSA-N 305.422 2.314 0 40 DEAB C[C@](O)(CNC(=O)NCc1cccc(O)c1)c1ccsc1 77784008 CUGIIHNVZPMMPR-HNNXBMFYSA-N 306.387 2.161 0 40 DEAB Cc1cc(CN(C)S(=O)(=O)c2ccc(F)c(F)c2)no1 31657112 WZZKMJJVJDHIGQ-UHFFFAOYSA-N 302.302 2.082 0 40 DEAB Cc1noc(C)c1CNC(=O)C(=O)Nc1ccc2cc[nH]c2c1 32070584 JAPKIYHWCCZTOL-UHFFFAOYSA-N 312.329 2.028 0 40 DEAB CC(C)n1cc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)cn1 40776529 PHSBJOJLQDZMTR-INIZCTEOSA-N 314.345 2.192 0 40 DEAB Cc1cc(C)nc(SCC(=O)NC(=O)c2ccccc2)n1 138101 OUIWPKHYYMLEDR-UHFFFAOYSA-N 301.371 2.142 0 40 DEAB N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 11754585 ZMDGEUBVLRIKHL-KRWDZBQOSA-N 307.397 2.397 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1scnc1C1CC1 101828457 ZBXPYXRICWUYNG-BJDJZHNGSA-N 320.414 2.338 0 40 DEAB Cc1nc(SCCCc2ccccc2)[nH]c(=O)c1CCO 11905772 SXEGSPMWLZHPJI-UHFFFAOYSA-N 304.415 2.338 0 40 DEAB Cc1cc(C)cc(OCCN2C(=O)N[C@@]3(CCSC3)C2=O)c1 32844170 XSUCIWOSFJOUQG-MRXNPFEDSA-N 320.414 2.110 0 40 DEAB CN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C1=O 4171780 LFEAVWLHJKHTBV-MJBXVCDLSA-N 314.366 2.224 0 40 DEAB CCOC(=O)NC(=O)CSc1nc(C)nc2ccccc12 4240034 TXJPWXRFLYBQRG-UHFFFAOYSA-N 305.359 2.303 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3c(C)noc3C)C2)n1 69815282 JFJLUCNJKHFBDS-HNNXBMFYSA-N 303.410 2.412 0 40 DEAB CCNC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nn1 91506252 OARITWVJHMFIOV-UHFFFAOYSA-N 322.372 2.024 0 40 DEAB Cc1ccc(S(=O)(=O)NC2(c3noc(C)n3)CCCC2)cc1 41629025 ZAISTBQEYJCJPB-UHFFFAOYSA-N 321.402 2.434 0 40 DEAB C[C@H]1NC(=S)N(CCCCOCCc2ccccc2)C1=O 55179816 IDDAUDPEEWOXOP-CYBMUJFWSA-N 306.431 2.131 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n(C)n1 41829324 KRNQOMFUEKADKP-NSHDSACASA-N 308.382 2.067 0 40 DEAB COc1ccc(/N=c2/scc(C)n2CC(=O)NC2CC2)cc1 104738670 JTBRZZPGTPIEDA-FBMGVBCBSA-N 317.414 2.378 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)no1 76043501 KCMBZPFRICOVDH-QPUJVOFHSA-N 304.350 2.450 0 40 DEAB Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 76501902 SMBMVLGJITVMKI-HUUCEWRRSA-N 309.431 2.423 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@@H]1c1ccc(F)cc1F 72281600 DZLIGCYFLRBNCF-BNOWGMLFSA-N 317.339 2.396 0 40 DEAB Cc1nn(C)cc1CNC(=O)Cc1ccc(Br)cc1 28218931 ZPRDODMLWVLAEM-UHFFFAOYSA-N 322.206 2.350 0 40 DEAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1cnn(CC)c1 87480256 BBSFCQRXKLGMRQ-MRXNPFEDSA-N 301.390 2.407 0 40 DEAB CCOC(=O)N1CCN(c2cc(Cl)nc(SC)n2)CC1 1398314 HTJZFQDVRPMFIQ-UHFFFAOYSA-N 316.814 2.130 0 40 DEAB CC(C)CO[C@@H](C)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 55404161 JGDBOVQBYZUKKJ-QMMMGPOBSA-N 306.284 2.393 0 40 DEAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cnccn1 55944098 LBEJQFJFIHZENZ-CABCVRRESA-N 301.321 2.266 0 40 DEAB Cc1cc(=O)oc2c3c(ccc12)OCN(C[C@H]1CCCO1)C3 57140318 DUEHNRHVJATWEJ-GFCCVEGCSA-N 301.342 2.432 0 40 DEAB O=C(c1c(Cl)nc2ccccn12)N1CCO[C@H]2CCC[C@@H]21 56195449 KWRCBBQUSZVLFW-QWRGUYRKSA-N 305.765 2.381 0 40 DEAB Cn1nnnc1-c1cccc(NCc2nc(-c3ccco3)no2)c1 25705617 KVEFOFKBWVTTBH-UHFFFAOYSA-N 323.316 2.132 0 40 DEAB O=C(Nc1ccccc1OC[C@@H]1CCCCO1)N1CCOCC1 56517086 BXCSBBHAPMJEJG-AWEZNQCLSA-N 320.389 2.499 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCCN(C)C1 107587199 CKDXTZZJBWUBGJ-HOCLYGCPSA-N 301.434 2.195 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](c2ccn[nH]2)C1 170678810 JFYGUMFKSQTCPL-GFCCVEGCSA-N 313.357 2.201 0 40 DEAB CCCCN(CC(N)=O)C(=O)c1oc(Br)cc1C 44522824 KMLLKXWDUCFSLZ-UHFFFAOYSA-N 317.183 2.078 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)Oc1cccc2[nH]ncc12 58027212 IKDVZYVZLACUPE-UHFFFAOYSA-N 323.308 2.467 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1cccs1 102747838 FUDXAWKHDIPSMN-GVARAGBVSA-N 307.415 2.385 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)Nc3ccn(C)n3)n2)cc1 12685828 YAFIUWOUGUBHIH-UHFFFAOYSA-N 311.345 2.350 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100179740 GIGSGDYORBGHQR-IZKTWJBDSA-N 323.348 2.169 0 40 DEAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCCO1 58202754 SKYPLRQYDKSGOK-DOMZBBRYSA-N 308.809 2.462 0 40 DEAB Cc1c2c(c(O)c3c1O[C@@](C)(CCC(=O)O)CC3)C(=O)OC2 67665239 OFLAUAULXGFGII-MRXNPFEDSA-N 306.314 2.320 0 40 DEAB in-vitro c1cnn(-c2ccc(CNCc3cnc4ccnn4c3)cc2)c1 58364918 KIIRFDNSJKCBJG-UHFFFAOYSA-N 304.357 2.205 0 40 DEAB C[C@@H](NC(=O)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 24211961 DWFJFRPYFLSPEF-LLVKDONJSA-N 319.382 2.287 0 40 DEAB CC[C@H](NCCOc1ccccc1)C(=O)Nc1cc(C)on1 28375337 CCEPUQQTSPBZDA-AWEZNQCLSA-N 303.362 2.369 0 40 DEAB CCOc1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 3307030 XPRAXEVZIBIFLE-UHFFFAOYSA-N 310.309 2.221 0 40 DEAB CC(=O)N1CCC(NCc2cc(Cl)c3c(c2)OCO3)CC1 12742143 XKLAWVWOWOBTRV-UHFFFAOYSA-N 310.781 2.169 0 40 DEAB CC(C)n1c([C@H]2CCCN(C(=O)CN)C2)nc2ccccc21 97019893 XQSVLHXYPVWMFR-ZDUSSCGKSA-N 300.406 2.282 0 40 DEAB C[C@@H](CC(=O)Nc1ccccc1)NCCCN1CCCC1=O 8429101 DQBFMFUGTUKBEV-AWEZNQCLSA-N 303.406 2.006 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)ccc1F)C(=O)O 69553875 DYSZJZJRRBKIDS-NSHDSACASA-N 301.289 2.485 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cc1 69626717 MRTJZIXGCXINSO-KRWDZBQOSA-N 312.417 2.459 0 40 DEAB Cc1cc(CS(=O)(=O)N2CCc3sccc3[C@@H]2C)no1 69621107 SBIHSHLGSVYZFM-JTQLQIEISA-N 312.416 2.494 0 40 DEAB Cc1nc(COc2cccc(C(=O)O[C@@H](C)C(N)=O)c2)cs1 17737395 USTJHFRPESERMF-VIFPVBQESA-N 320.370 2.061 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1 69770423 RFRXBXXZIRNFJO-JTQLQIEISA-N 317.393 2.152 0 40 DEAB COc1ccc(CNc2nnc(S[C@H](C)C(N)=O)s2)cc1 8775547 JRCZZEQPPSOZQT-MRVPVSSYSA-N 324.431 2.125 0 40 DEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(F)c1 14093695 YKGCFJPSUWMJMQ-UHFFFAOYSA-N 311.316 2.334 0 40 DEAB CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 6430268 JKTHOEIBWFDSQX-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB O=C(CSc1nnc2[nH]c3ccccc3n12)NC1CCCC1 6506872 FEZAQNREAXRIPM-UHFFFAOYSA-N 315.402 2.362 0 40 DEAB CNc1ncc(-c2nnnn2-c2ccccc2)c(C(F)(F)F)n1 5510574 BGEQEFJNYKPDEY-UHFFFAOYSA-N 321.266 2.180 0 40 DEAB CCC(C)(C)N[C@H](C)C(=O)N[C@@H](C)C(=O)N1CCCC[C@@H]1C 96013690 WZDIKYJFLOIKQS-MJBXVCDLSA-N 311.470 2.059 0 40 DEAB Cn1c(CN(c2ccccc2)C2CCCC2)cc(=O)n(C)c1=O 66567255 XYWMIKWUQXXPNW-UHFFFAOYSA-N 313.401 2.033 0 40 DEAB CCCCN1C(=O)C[C@H](C(=O)NOC)[C@@H]1c1ccc(OC)cc1 23041223 BFIVZEAOBOPVRF-HOCLYGCPSA-N 320.389 2.063 0 40 DEAB CCOC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)o1 4943100 LYIMFQNAHOLZDW-UHFFFAOYSA-N 321.358 2.350 0 40 DEAB CC(C)(C)c1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc1 8980400 SDHAUMFBTJHPMJ-HNNXBMFYSA-N 317.433 2.262 0 40 DEAB CC(C)(C)C(=O)N1CCCN(Cc2noc(C3CC3)n2)CC1 67229859 HPDTZHZHFVNCPV-UHFFFAOYSA-N 306.410 2.027 0 40 DEAB O=C(N[C@H](CO)Cc1ccc(O)cc1)c1ccc(Cl)s1 97046167 OHXRGPKLTAAVRF-JTQLQIEISA-N 311.790 2.441 0 40 DEAB CCc1cccc(C)c1NC(=O)CCCN1C(=O)CN(C)C1=O 7667014 JBDUYTSSTZNGKS-UHFFFAOYSA-N 317.389 2.170 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)Nc3cccnc3)C2)no1 69219367 IFTMNAPGHPIQIN-NSHDSACASA-N 301.350 2.439 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)c1ccc2ccccc2n1 78679606 JUTNJEKHIYPMOA-UHFFFAOYSA-N 320.414 2.178 0 40 DEAB CC(C)(C)c1nnnn1CC(=O)N1CCC[C@H]1c1cccs1 71826652 JCABQZMHXSRRLJ-NSHDSACASA-N 319.434 2.396 0 40 DEAB CN(C)CCCNC(=O)c1cnc2c(cnn2C2CCCC2)c1 71850066 FTEHIXYZEBPUDD-UHFFFAOYSA-N 315.421 2.228 0 40 DEAB Cc1noc2ncc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)cc12 71820738 MVRFCKQHMDMAPY-ZIAGYGMSSA-N 301.346 2.315 0 40 DEAB Cc1cc(O[C@H](C)C(=O)N2CCNC(=O)CC2)ccc1C(C)C 71839497 ICUZXYJSGYVDFM-CQSZACIVSA-N 318.417 2.234 0 40 DEAB Cn1cc([C@@H]2OCC[C@@H]2CNCc2cccc3c2OCO3)cn1 84317557 CSRLJXNMDCXPKB-CZUORRHYSA-N 315.373 2.016 0 40 DEAB O=C(Nc1ccccc1S(=O)(=O)C(F)F)c1ccncc1 9607389 GWSZRBGGVXUFNQ-UHFFFAOYSA-N 312.297 2.330 0 40 DEAB C[C@H](NC(=O)[C@@H](C)N(C)CCn1cccn1)c1ccc(F)cc1 84651546 INBPPQVHEQNGSI-UONOGXRCSA-N 318.396 2.220 0 40 DEAB OCCC1(NCc2ccc(OC(F)F)cc2)CCOCC1 95416745 VDAWWRGZTNSMOV-UHFFFAOYSA-N 301.333 2.309 0 40 DEAB COCc1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C[C@@H](C)N2 95471710 VMDZWAIGLVZWQN-ZWNOBZJWSA-N 318.377 2.235 0 40 DEAB Cn1cc(C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)ccc1=O 95953811 SSJPBBXDIRFTFW-MRXNPFEDSA-N 314.360 2.372 0 40 DEAB CN(CC(=O)N1CCC[C@H]1c1ccc[nH]1)C(=O)c1ccccc1 79447464 MGJNAXSFBZTFTJ-INIZCTEOSA-N 311.385 2.450 0 40 DEAB COc1ccc(CN2CCN(c3ncccn3)CC2)cc1Cl 89457479 SQSOJCHPQKVAQO-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB Cc1ccccc1CC1CN(C(=O)CCCNC(=O)C2CC2)C1 89689318 AUCMRPVCGUOMRO-UHFFFAOYSA-N 314.429 2.302 0 40 DEAB COC(=O)C(C)(C)CNC(=O)c1c(F)c(F)cc(F)c1F 89761778 JGAKKOHTMCKISW-UHFFFAOYSA-N 307.243 2.172 0 40 DEAB CC[C@H]1CN(C(=O)C(C)(C)n2cc(Cl)cn2)C[C@@H]1N(C)C 89948318 XTCLTRXASFWMGE-AAEUAGOBSA-N 312.845 2.070 0 40 DEAB COc1cc(C(=O)N2CCN(C)C[C@H]2C)cc(Cl)c1OC 89938343 QNIPOWGTOAUIER-SNVBAGLBSA-N 312.797 2.133 0 40 DEAB CCCNC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 409128566 PQFRXRYQRQDOON-UHFFFAOYSA-N 320.414 2.132 0 40 DEAB O=C(CCc1cc(F)ccc1F)Nc1c[nH]nc1[C@H]1CCNC1 1549731645 PIDNNYWQSWIRBS-NSHDSACASA-N 320.343 2.336 0 40 DEAB CC(C)OCCCNC(=O)C(=O)NCCCCc1ccccc1 408706873 GOYYFMIJKZVRLW-UHFFFAOYSA-N 320.433 2.057 0 40 DEAB Cc1nc(-c2cncnc2C2CCN(c3cnccn3)CC2)no1 72368900 PPEKFBFYMZIXGH-UHFFFAOYSA-N 323.360 2.009 0 40 DEAB O=C(Nc1nccs1)[C@H]1CN(c2cccc(F)c2)CCO1 72366449 OTWRIDZQLLWCFG-GFCCVEGCSA-N 307.350 2.126 0 40 DEAB COc1ccc(-c2cc(N(C)CC(=O)N(C)C3CC3)n[nH]2)cc1 77360791 NSDDTVVLYGYQGL-UHFFFAOYSA-N 314.389 2.142 0 40 DEAB CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3cc(C)on3)n2)C1 72382433 LJQIGDOXHAAZBY-GFCCVEGCSA-N 301.350 2.161 0 40 DEAB O=C(O)c1cn([C@H]2C[C@@H]2F)c2c(F)c(F)c(F)cc2c1=O 34169512 XCRXEUPAGNYDKC-XPUUQOCRSA-N 301.195 2.400 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C)C[C@@H](C)C1 32998018 JPAWSCBISHNELI-OKILXGFUSA-N 318.417 2.320 0 40 DEAB CN(Cc1ccco1)C(=O)COc1ccc2c(c1)CCC(=O)N2 30802555 VISQDOZAXAWZIO-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB O=C(NCCc1cccs1)c1coc(NC(=O)C2CC2)n1 75157954 KZCRRXWFAKYWKG-UHFFFAOYSA-N 305.359 2.057 0 40 DEAB NS(=O)(=O)c1cc(C(=O)O)ccc1NCCC1=CCCCC1 217403184 XUARXKQLIZWEFL-UHFFFAOYSA-N 324.402 2.335 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc21)[C@H]1CCCN(C(=O)C2CC2)C1 79333658 BYLYUVAEPBXUSE-HOTGVXAUSA-N 312.413 2.091 0 40 DEAB Cc1ccc(OCCC(=O)N[C@H]2CCc3nc(C)cn3C2)cc1 72278910 NXYNJQPCTPWBIQ-HNNXBMFYSA-N 313.401 2.400 0 40 DEAB CN([C@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc2ccoc12 562714873 XIEFEQUTBSDVKH-AWEZNQCLSA-N 320.414 2.290 0 40 DEAB S=C(Nc1ccc(Sc2ncccn2)nc1)NC1CC1 224032179 BTRKYIBHDQUDHL-UHFFFAOYSA-N 303.416 2.472 0 40 DEAB Cc1ccc(-n2nc(C(=O)C(C)(C)C)cc(C(=O)O)c2=O)cc1 225967851 CTVKFTLOQIGSTM-UHFFFAOYSA-N 314.341 2.468 0 40 DEAB CC1=C(C(=O)O)[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)N1 44563712 RYYZSFOVCSJRKU-JTQLQIEISA-N 300.236 2.418 0 40 DEAB CCOC(=O)c1ccc(N2C[C@H](C(=O)OCC)CC2=O)c(C)c1 45953238 LIJCYZWCSNMJHB-CYBMUJFWSA-N 319.357 2.088 0 40 DEAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccs2)n2nnnc2N1 45896160 JMHHKTHVDFKRDO-NSHDSACASA-N 319.390 2.365 0 40 DEAB COC(=O)C1CCN(C(=O)COc2cc(C)ccc2C)CC1 41104064 LPUXUAIZOTYGGH-UHFFFAOYSA-N 305.374 2.094 0 40 DEAB Cc1ccc(CN2CC[C@H](c3nnc(-c4cncn4C)o3)C2)o1 49170475 IDHUYDLBRPCOSQ-LBPRGKRZSA-N 313.361 2.361 0 40 DEAB biogenic,in-vitro COc1ccc(CCNC(=O)NCC[C@H](O)c2ccco2)cc1 77112930 KOESPESYFVZDMV-HNNXBMFYSA-N 318.373 2.254 0 40 DEAB COc1ccc([C@H](NC(=O)Cc2ccc(C)o2)C(=O)O)cc1F 576945562 MDIHJCCATYBZLV-HNNXBMFYSA-N 321.304 2.220 0 40 DEAB O=C(Cn1cccn1)NC1(c2cccc(Br)c2)CC1 96418908 MLWOIYMZCRKMGS-UHFFFAOYSA-N 320.190 2.451 0 40 DEAB COc1ccccc1[C@@H]1CCN(C(=O)[C@@H](N)CCSC)C1 96481282 NFVIOLJISJXWTD-OCCSQVGLSA-N 308.447 2.092 0 40 DEAB CN(Cc1ccccn1)C(=O)c1cc(=O)n(C)c2ccccc12 95954851 YFEYHLTVVVZESA-UHFFFAOYSA-N 307.353 2.206 0 40 DEAB CCOC(=O)[C@](C)(NC(=O)c1noc2c1CCCC2)C(C)C 96412239 JZUDFSAFTNTJKG-MRXNPFEDSA-N 308.378 2.261 0 40 DEAB Cc1cccc(CN2Cc3nccn3C[C@@H](Cn3cccn3)C2)n1 96188551 MYDQOSXHTDZYLS-INIZCTEOSA-N 322.416 2.115 0 40 DEAB O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccoc1)C2 96224559 MPTWUUCPSQWPCT-QGZVFWFLSA-N 312.373 2.089 0 40 DEAB c1coc(-c2nnc(CN3CCO[C@H](c4nccs4)C3)o2)c1 97203901 SKYRTODOYHLKJA-NSHDSACASA-N 318.358 2.360 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@@H](c2cccc3nccn23)C1 257233960 GRNAKIKJGWPREM-CQSZACIVSA-N 321.384 2.453 0 40 DEAB Nc1cnc(C[C@@H]2CCCN(C(=O)c3cscn3)CC2)cn1 257263236 LOZNZLNGJYLXQR-LLVKDONJSA-N 317.418 2.000 0 40 DEAB Cc1n[nH]cc1CN1CCC[C@@H](c2cncc(-n3ccnc3)n2)C1 257317566 VKHMLLMNVGOIKO-CQSZACIVSA-N 323.404 2.073 0 40 DEAB COc1ccc([C@@H]2C[C@]3(C)NC(=O)CCC[C@@H]3N2C(C)=O)cc1 257328409 XFNHSCZLMMTLJE-BQFCYCMXSA-N 316.401 2.416 0 40 DEAB CCc1nccn1CCC(=O)N1CCC[C@H](c2cnccn2)C1 257336273 YNSSEHFYABCKSW-AWEZNQCLSA-N 313.405 2.032 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1ccccn1 257342946 ZQSHRPSWNHNBDT-JXSMBQFASA-N 313.401 2.086 0 40 DEAB Cc1nccc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 257321062 VZXWYJHSAJEVGV-HNNXBMFYSA-N 317.414 2.379 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2)n1 257295610 QZDDZHMCUUMPDW-ZDUSSCGKSA-N 315.348 2.319 0 40 DEAB O=C(CC1CC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575406033 MKDXTZFUROPOED-INIZCTEOSA-N 311.385 2.473 0 40 DEAB CCN(CCCNC(=O)c1cnn(C)c1C)C(=O)OC(C)(C)C 69652800 WICZAOSHFCARCP-UHFFFAOYSA-N 324.425 2.105 0 40 DEAB C[C@](O)(CNC(=O)c1ccc(OC(F)(F)F)cc1)C1CC1 75170325 BFBSQCWCQSMQKA-ZDUSSCGKSA-N 303.280 2.476 0 40 DEAB CCCCCS(=O)(=O)N1CCO[C@H](c2ccc(C)o2)C1 97115545 SBUBMCKCYLNQNF-AWEZNQCLSA-N 301.408 2.481 0 40 DEAB CCn1ncc(CNC(=O)N[C@@H]2C[C@H](c3ccccc3)[C@@H]2C)n1 1548451613 IASMSBSOOYKHGQ-VBNZEHGJSA-N 313.405 2.289 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCCCCC2)cc1 5043791 PKRHEPSWIFIAOZ-MRXNPFEDSA-N 306.406 2.261 0 40 DEAB Cn1nc(C2CC2)cc1C(=O)NCc1noc(-c2ccccc2)n1 12202872 OCSLIGNCHFGYLW-UHFFFAOYSA-N 323.356 2.278 0 40 DEAB Cc1c(C(=O)N2CCC(C)CC2)sc2ncn(C)c(=O)c12 14187118 LRCHTZSEAIWISW-UHFFFAOYSA-N 305.403 2.176 0 40 DEAB CC(=O)Nc1nc(C(=O)NCCOc2ccccc2F)cs1 30881529 PDQFEPBNTLCCAA-UHFFFAOYSA-N 323.349 2.049 0 40 DEAB CN(Cc1ccccc1Br)C(=O)[C@@H]1CSCN1 37798044 SGOFCBVISWRDHQ-NSHDSACASA-N 315.236 2.070 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)NCc2ccccc2)c1 13084103 MZUVRBXSENLWHQ-UHFFFAOYSA-N 315.325 2.089 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)OCCO2 28090671 GJIOWFXWBQSTNF-UHFFFAOYSA-N 300.358 2.076 0 40 DEAB CC(C)N1C[C@@]2(CCN(Cc3ccc(F)cc3)C2)COCC1=O 2037981075 SZGXDKWHMNNMJS-SFHVURJKSA-N 320.408 2.285 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H]3CN(Cc4cccnc4)C[C@H]32)o1 1075522369 BVKNSOOIIIUSKS-JKSUJKDBSA-N 311.385 2.330 0 40 DEAB CC1=NN(C(=O)Cc2ccc(C)cc2)[C@@](O)(c2cccnc2)C1 78854 VXINZSUGKXKAJC-SFHVURJKSA-N 309.369 2.386 0 40 DEAB O=S(=O)(O)Oc1ccc([C@H]2COc3cc(O)ccc3C2)cc1 22058386 UXOJWGSGKUYMIA-GFCCVEGCSA-N 322.338 2.293 0 40 DEAB biogenic,in-vitro COc1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)cc1C 30323861 DAYUAMWYTDMFHR-GFCCVEGCSA-N 306.387 2.438 0 40 DEAB Nc1nccnc1C(=O)Nc1cccc(OCc2ccccn2)c1 31453972 BISLJHSWQLHFJM-UHFFFAOYSA-N 321.340 2.285 0 40 DEAB CCCC(C)(C)NC(=O)CCNS(=O)(=O)c1ccccc1 50809086 PRMBNLBZHSIXGI-UHFFFAOYSA-N 312.435 2.050 0 40 DEAB Cn1nnc(NC(=O)C(C)(c2ccccc2)c2ccccc2)n1 531758 UJYRETKXLMAPIS-UHFFFAOYSA-N 307.357 2.155 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3c(C)noc3C)CC2)nn1 69875505 HIWCMPDHLDWFRW-UHFFFAOYSA-N 315.377 2.107 0 40 DEAB Cc1nc(SCn2nnc3ccccc3c2=O)nc(C)c1C 2661209 TYXBORFANZAPFD-UHFFFAOYSA-N 313.386 2.257 0 40 DEAB Cc1nn(C)cc1CN(C)C(=O)CCn1nc(C)c(Cl)c1C 2778967 BXNLAZAIQCODLK-UHFFFAOYSA-N 323.828 2.244 0 40 DEAB Cc1ncsc1C(=O)N1CCN(Cc2cccs2)CC1 46741382 AJTHOZZHIDGPCN-UHFFFAOYSA-N 307.444 2.471 0 40 DEAB O=S1(=O)CC[C@H](NCc2ccc(-c3ccccc3F)o2)C1 53994427 LTFSQKVECQMOMW-NSHDSACASA-N 309.362 2.362 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 42513247 KIEOGQJFTQMSGO-YGRLFVJLSA-N 305.765 2.045 0 40 DEAB Cc1cccc(OCCNC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 59520221 MPPZAGPFYILTEA-LSDHHAIUSA-N 305.374 2.381 0 40 DEAB CN(Cc1ccccc1F)C(=O)c1cnc2sccn2c1=O 52950598 IXOAWUNORXVZPQ-UHFFFAOYSA-N 317.345 2.167 0 40 DEAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1c1ccccn1 55514944 KKAGDDPUYONUTN-HNNXBMFYSA-N 307.357 2.190 0 40 DEAB Cc1sc2ncnc(N3CCN(C[C@H](C)O)[C@@H](C)C3)c2c1C 106839957 XUFASJDMKLYYLW-QWRGUYRKSA-N 320.462 2.199 0 40 DEAB CCCc1n[nH]c([C@H]2CN(C(=O)C[C@@H]3C=CCC3)CCO2)n1 76045854 DUUYRAZUOGRULN-CHWSQXEVSA-N 304.394 2.013 0 40 DEAB O=C(NCCN1CCCC1)C1(c2cccc(F)c2)CCOCC1 57236441 HGNRUMURDFDUTN-UHFFFAOYSA-N 320.408 2.086 0 40 DEAB NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486727 WRBFGBYUNHNSTM-UHFFFAOYSA-N 302.721 2.344 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCN(C)C(=O)C2)cc1 44350069 RTWUWXUBSJQOMF-GDBMZVCRSA-N 316.401 2.227 0 40 DEAB Cc1c(Br)cccc1Cn1cnnc1[S@](C)=O 97022516 XRRCZEBJALVMCI-QGZVFWFLSA-N 314.208 2.135 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C)c(C)c2)C1 3257039 LZIVCZAQXCDIQP-HNNXBMFYSA-N 319.401 2.484 0 40 DEAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)c2nncn2C)cc1 44967913 GNQXVWKCJMGRMS-GFCCVEGCSA-N 317.393 2.163 0 40 DEAB CC(C)N(Cc1cnn(C)c1)C(=O)CSCc1ccccn1 58379889 RYTUEEFFSRPHDS-UHFFFAOYSA-N 318.446 2.486 0 40 DEAB COc1cccc(NC(=O)COC(=O)COc2ccccc2)c1 3388727 OIVUPNKNXOXDBQ-UHFFFAOYSA-N 315.325 2.256 0 40 DEAB CCOC(=O)c1sc2nc(CN3CCCC3)[nH]c(=O)c2c1C 3338022 CRMDVNUDKNDPNF-UHFFFAOYSA-N 321.402 2.066 0 40 DEAB Cc1nc(NC(=O)CNC(=O)/C=C/c2ccco2)sc1C 36393797 IVYKJEYQGXWYFM-AATRIKPKSA-N 305.359 2.121 0 40 DEAB O=C(C1CC1)N1CCN(Cc2cc(-c3ccccc3)no2)CC1 48249292 HURQOYLNCBNGHW-UHFFFAOYSA-N 311.385 2.396 0 40 DEAB O=C(O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 2500409 FNDPOMZAVHHQNW-UHFFFAOYSA-N 304.302 2.349 0 40 DEAB CCCOc1ccccc1NC(=O)N1CCN(C(C)=O)CC1 48362027 MPTSKGRSYLAMJK-UHFFFAOYSA-N 305.378 2.171 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2Cc2nc(-c3ccco3)no2)c1 69927593 UOJVEHRUIUJLDI-ZDUSSCGKSA-N 313.361 2.499 0 40 DEAB O=C1CC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)N1 70715573 NLZXTEJUYGIPAU-QGZVFWFLSA-N 308.381 2.494 0 40 DEAB CCN(CC)CCCNCC(=O)N1c2ccccc2C[C@H]1C 26439606 JOGNSCZOMUNULM-OAHLLOKOSA-N 303.450 2.286 0 40 DEAB Cc1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)c(=O)[nH]1 65463660 KMPMCLBEQLOSLG-UHFFFAOYSA-N 309.325 2.268 0 40 DEAB O=C(NCc1ccco1)N[C@H](CO)Cc1c[nH]c2ccccc12 72274004 OMWPDWRLOFGKIU-ZDUSSCGKSA-N 313.357 2.164 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(-n3cccn3)cc1)CN2 65623720 ACXMJPLLWAAEQS-INIZCTEOSA-N 322.416 2.209 0 40 DEAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(N2CCCC2)nc1 14245432 NUGSFTRIGNLVBW-UHFFFAOYSA-N 311.451 2.489 0 40 DEAB O=C(C[C@H]1CN(C2CCCC2)Cc2ccnn21)N1CC(F)(F)C1 306133364 MJQFEXFAYKCPLY-AWEZNQCLSA-N 324.375 2.050 0 40 DEAB C[C@@H]1C[C@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)C(=O)O1 9218210 LMLDQOYYZGEETJ-HQJQHLMTSA-N 320.326 2.261 0 40 DEAB C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCCCC1 7222094 NPFGXOTVTHKJEL-OAHLLOKOSA-N 317.433 2.336 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)sc1C 72297516 WEGGPPKYQIBQGD-CQSZACIVSA-N 318.446 2.442 0 40 DEAB CC(C)CCC[C@@H](C)NC(=O)CSc1nc(N)cc(N)n1 7692858 PKBVGOPLGQEZRB-SNVBAGLBSA-N 311.455 2.064 0 40 DEAB Cc1cccc(N(CCC(N)=O)CC(=O)Nc2ccccc2)c1 69351754 CROKSJKYGDEKMV-UHFFFAOYSA-N 311.385 2.316 0 40 DEAB CNC(=O)NC(=O)[C@H](C)Sc1nc(C)c(C)n1CC(C)C 8478940 BZIDFSIXTSUJPQ-NSHDSACASA-N 312.439 2.092 0 40 DEAB CCOC(=O)c1oc2ccccc2c1CN1CCN(C)CC1 19881447 HGXWZCJJKSYEKB-UHFFFAOYSA-N 302.374 2.357 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2[C@@H](C)c2nc(C3CC3)no2)n1 69740927 XQEJEWCAYUZWLV-HZMBPMFUSA-N 316.409 2.381 0 40 DEAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H](n2ccnc2)C1 71796547 YWAIWILFLOBEQR-AWEZNQCLSA-N 322.368 2.202 0 40 DEAB CN(C(=O)[C@H](C1CC1)N1CCCC1)c1ccc2c(c1)CCO2 97135374 YEIHUHCKMNHAEX-KRWDZBQOSA-N 300.402 2.459 0 40 DEAB O=C(OCc1cncs1)c1cc(=O)[nH]c2cc(F)ccc12 97164943 LJACQLITWKFPLR-UHFFFAOYSA-N 304.302 2.481 0 40 DEAB O=C(CCOc1ccc(F)cc1)N1CCC[C@@H]1Cn1cccn1 71866454 JRYLHDHIWGVFFP-OAHLLOKOSA-N 317.364 2.482 0 40 DEAB Cc1ncsc1CN(C)[C@H]1CCN(CC(F)(F)F)C1=O 71897160 OIXRQGPVHHVPOA-VIFPVBQESA-N 307.341 2.047 0 40 DEAB Cc1csc(C2(NC(=O)[C@@H]3CCC(=O)N3)CCCCCC2)n1 95398851 TWRMYXRHCPUOJU-LBPRGKRZSA-N 321.446 2.396 0 40 DEAB CCc1nsc(N2CCC(C(=O)NCc3ccco3)CC2)n1 95408569 CHSSVKGAZUUABR-UHFFFAOYSA-N 320.418 2.226 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@H](CC(=O)O)c1ccccc1C 95989818 RMMDGAXLPPXPKW-CQSZACIVSA-N 315.373 2.466 0 40 DEAB C[S@@](=O)C[C@H](NC(=O)Cc1cccc(O)c1)c1ccccc1 78997667 GAIHPYHTDSOGAK-AOMKIAJQSA-N 317.410 2.171 0 40 DEAB Cc1nc(CN2CCN([C@H](C)c3ccc(F)cc3)CC2)no1 95959680 WTYOATVYZRERDL-GFCCVEGCSA-N 304.369 2.396 0 40 DEAB Cc1nc(CNC(=O)NC[C@H](C)Cn2ccnc2C)sc1C 78952174 YTPBJGJGAYKRLR-JTQLQIEISA-N 321.450 2.400 0 40 DEAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1n[nH]c(C)n1 95963610 FTSVFEJSUDCTDO-LLVKDONJSA-N 308.769 2.240 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2F)c1 24353376 DMFKRYAURCMPFV-UHFFFAOYSA-N 323.345 2.091 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@@H]2CCCC[C@H]21 74814196 QVVIUVJQTXPOMW-QWHCGFSZSA-N 316.467 2.174 0 40 DEAB Cc1cc(C)c(CNC(=O)N(C)Cc2cnc(C)s2)c(=O)[nH]1 75121353 WYEMWWZMVWPXNJ-UHFFFAOYSA-N 320.418 2.098 0 40 DEAB O=C(NC[C@@H]1CCCOC1)c1ccc(-c2ccccc2)[nH]c1=O 75120746 YAGOOSFKMJTVPT-ZDUSSCGKSA-N 312.369 2.198 0 40 DEAB Cc1ccccc1CNC(=O)N1CCC[C@H](c2nncn2C)C1 89689371 IVVPRKQVQXXYLY-HNNXBMFYSA-N 313.405 2.213 0 40 DEAB C[C@@](NC(=O)Cc1cccs1)(C(N)=O)c1cccc(Cl)c1 89905180 YHIHAJVBZGOEHO-HNNXBMFYSA-N 322.817 2.461 0 40 DEAB CN(C)c1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cn1 89917587 VKPORKBAUZMUKW-BNOWGMLFSA-N 304.394 2.083 0 40 DEAB CC[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CCC(OC)CC1 89948263 MUJPOKXODISERW-ZBFHGGJFSA-N 311.470 2.365 0 40 DEAB Cc1cc2nc(COC(=O)c3ccccc3F)cc(=O)n2o1 21538586 BWNYSMSYBDUNPH-UHFFFAOYSA-N 302.261 2.092 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306131118 JXDWNDMOTDNFPC-KFWWJZLASA-N 316.401 2.124 0 40 DEAB O=C(c1cscn1)N1CC[C@@](C(=O)O)(c2ccccc2)C1 516929678 KRDPFVORKNJUKS-HNNXBMFYSA-N 302.355 2.012 0 40 DEAB NC(=O)CN1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 72379436 RKBCBNSXFDEFPL-AWEZNQCLSA-N 316.792 2.419 0 40 DEAB O=C(O)c1cn([C@H]2C[C@H]2F)c2c(F)c(F)c(F)cc2c1=O 34169516 XCRXEUPAGNYDKC-SVRRBLITSA-N 301.195 2.400 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2nc(C)no2)c2c(C)noc2n1 79321169 ZVPFEWUFUWXDDA-MRVPVSSYSA-N 301.306 2.022 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2nc(C)c(C)s2)c1C 72239060 KCWYTAQDWDKCFC-UHFFFAOYSA-N 314.436 2.394 0 40 DEAB Cc1nc2c(Nc3ccc(N4CCOCC4)cc3)ncnc2[nH]1 41121274 SHEPLZLQPSMRFI-UHFFFAOYSA-N 310.361 2.242 0 40 DEAB Cc1cccc2c1N(S(=O)(=O)c1ccn(C)n1)CC[C@H]2C 563957070 FJSGULCQZQDANR-LLVKDONJSA-N 305.403 2.431 0 40 DEAB COCCNC(=S)Nc1ncc(Br)cc1C 223885270 WBKLVUSHFYAUIQ-UHFFFAOYSA-N 304.213 2.085 0 40 DEAB O=C(COc1ccccc1F)NC[C@H]1COc2ccccc21 74913737 ZZZRUEUXVFZTJP-LBPRGKRZSA-N 301.317 2.497 0 40 DEAB O=C(Nc1ccc(-n2cccn2)cc1)c1nnc2ccccc2n1 46087933 PEBWWUPKGRVWOB-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB 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317.393 2.079 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@H](C)c1nnc2n1CCCCC2 45897501 UABMUWGOTIDANR-LLVKDONJSA-N 317.393 2.029 0 40 DEAB Cc1nn(C[C@H](O)COCc2ccccc2)c(=O)c2ccccc12 12861106 BZNFFSYLCDEQDW-INIZCTEOSA-N 324.380 2.283 0 40 DEAB CCNC(=O)NC1CCN(C(=O)[C@@H](CC)c2ccccc2)CC1 69587111 TVVGMZHSKOKEKX-INIZCTEOSA-N 317.433 2.490 0 40 DEAB C[C@@H](CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)N(C)C 69509338 DDQKSFXGFPALFT-LBPRGKRZSA-N 315.421 2.226 0 40 DEAB O=C(Nc1cccc(-n2cccn2)c1)N1CCC(CO)CC1 48550706 DNFSDFDLKIXZOW-UHFFFAOYSA-N 300.362 2.109 0 40 DEAB CCCn1c(C)cc(C(=O)CSc2nc(N)cc(N)n2)c1C 3510249 LCZLNBAGBFOEAC-UHFFFAOYSA-N 319.434 2.444 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2ccc(O)cc2)c1 3507928 MSLMGHBNHDRLCJ-UHFFFAOYSA-N 301.298 2.196 0 40 DEAB Cc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 12912045 LUJWVKSDIZWAKK-GFCCVEGCSA-N 300.410 2.021 0 40 DEAB COc1ccc(Cc2n[nH]c(NC3CCCC3)nc2=O)cc1 5154498 JZYJQTDOZJEOCW-UHFFFAOYSA-N 300.362 2.119 0 40 DEAB Cc1sc2ncnc(N[C@@H](CCC(=O)O)C(=O)O)c2c1C 4337238 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CNc1ncccc1CN1CCNC[C@H]1c1ccc(OC)cc1 585182265 KMAUUNMPTCOJJD-KRWDZBQOSA-N 312.417 2.278 0 40 DEAB NC[C@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl 89091775 RNISNQVUYMSVOP-LDYMZIIASA-N 323.245 2.399 0 40 DEAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccc(O)nn1 29711204 JURIGIYFHMVSIT-INIZCTEOSA-N 306.325 2.097 0 40 DEAB CCC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888853066 BMTGKGVVYFZZAA-IYBDPMFKSA-N 322.412 2.448 0 40 DEAB COc1ccc(C)cc1CN(C)C(=O)[C@H](NC(C)=O)C(C)C 21557674 QYKLBWKNMNEYGO-MRXNPFEDSA-N 306.406 2.123 0 40 DEAB Cc1c(C(=O)N[C@H]2CCn3nccc3C2)cnn1-c1ccccc1 245020882 MLPNCBFXJBXIRJ-AWEZNQCLSA-N 321.384 2.122 0 40 DEAB O=C(c1cccs1)N1CC[C@H]2CN(Cc3cccnc3)C[C@@H]21 1565541988 RVQIRZFLDODAPX-GJZGRUSLSA-N 313.426 2.490 0 40 DEAB FC(F)(F)c1cc(N2CCC(Nc3ncccn3)CC2)ncn1 575616692 LZWVQYNUDZLUIA-UHFFFAOYSA-N 324.310 2.366 0 40 DEAB CCOC(=O)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 806225 UEZVFOFZESYCKL-UHFFFAOYSA-N 317.297 2.252 0 40 DEAB O=S(=O)(Cc1ccccc1Cl)NC[C@H](O)c1ccoc1 75171856 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O=C(O)[C@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 62117495 CJHULMFEIGJLHU-ZETCQYMHSA-N 316.126 2.135 0 40 DEAB CNC(=O)C1CCN(C(=O)Nc2nc3ccccc3s2)CC1 10257975 TVSMQBGOZSKEKQ-UHFFFAOYSA-N 318.402 2.286 0 40 DEAB O=C(NCCNc1nc2ccccc2s1)C1CCOCC1 58245485 BCQNRIKNMHWMCJ-UHFFFAOYSA-N 305.403 2.251 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)[C@@H]1CCCO1 44955596 CKYNMTAGYUGGNM-OCCSQVGLSA-N 307.394 2.236 0 40 DEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCNC1=O 12778217 YGFWSKRFABVXNC-SSDOTTSWSA-N 303.145 2.313 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(-c2cccnc2)on1 48311488 IIPSTALTYJPCDX-AWEZNQCLSA-N 321.336 2.470 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1C 3597171 XAMHFEBAOUUDMG-CQSZACIVSA-N 317.389 2.208 0 40 DEAB Cc1ccc(C)c(OCCC(=O)N2CCC[C@H](C(=O)O)C2)c1 13170545 SWKIVHSIKMVIRT-AWEZNQCLSA-N 305.374 2.396 0 40 DEAB CN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)O)cs1 13308690 IZHAXCWOJWULAH-UHFFFAOYSA-N 317.413 2.329 0 40 DEAB CN(Cc1ccco1)CC1(CN(C)Cc2ccco2)COC1 83865638 JIBQTJORPJWHKJ-UHFFFAOYSA-N 304.390 2.453 0 40 DEAB OCC1CCN(c2cc(-c3ccccc3)nc3ncnn23)CC1 71954749 CBQOCCNOOWPFCH-UHFFFAOYSA-N 309.373 2.000 0 40 DEAB CCC(=O)NCC(=O)O[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 71913783 YEHZBAHGSZQNQR-QMMMGPOBSA-N 309.753 2.347 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1F)n1nnc2ccccc2c1=O 5245941 AQWXSGAOOHAVTA-JTQLQIEISA-N 312.304 2.130 0 40 DEAB CCn1c(C)cc(C(=O)CSc2n[nH]c(=O)n2C2CC2)c1C 14116941 ODGVVUNZSIPNMF-UHFFFAOYSA-N 320.418 2.320 0 40 DEAB COCc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)o1 93133864 CQAQDCJMJYOKNG-ZDUSSCGKSA-N 316.405 2.343 0 40 DEAB COc1c2c(c(Cl)c(-c3cc(CO)on3)c1OC)OCO2 15081299 NSQLRHGFKIZZIG-UHFFFAOYSA-N 313.693 2.233 0 40 DEAB biogenic,in-vitro CC[C@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 4977023 ZLXAWDYIQWQOAQ-JTQLQIEISA-N 318.826 2.021 0 40 DEAB Cc1sc(NC(=O)NP(=O)(O)O)nc1-c1ccccc1 9319570 OBAQGJMQQYNYMM-UHFFFAOYSA-N 313.275 2.333 0 40 DEAB COc1ccc(N2C(=O)C(=O)N(Cc3cccc(C)c3)C2=O)cc1 7498307 MELSOMCZXUDPKD-UHFFFAOYSA-N 324.336 2.499 0 40 DEAB O=C(Cc1cccc(F)c1)NC[C@H]1COc2ccccc2O1 7756969 OOMYHDHUTPHOLC-AWEZNQCLSA-N 301.317 2.324 0 40 DEAB COc1ccccc1CNC(=O)[C@@H](C)N(C)Cc1ccco1 16381258 UEZSXDMBRIWICG-CYBMUJFWSA-N 302.374 2.425 0 40 DEAB Cc1ccc(C(C)(C)CNC(=O)C[C@H]2C=CS(=O)(=O)C2)cc1 70036685 CKKVZHBKOUHUAU-CQSZACIVSA-N 321.442 2.337 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 8331095 NNPGWZDTSULRJJ-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCC[C@@H](n2cccn2)C1 69433025 KBTFVTPGBBWFJP-OAHLLOKOSA-N 311.389 2.330 0 40 DEAB COC(=O)c1oc([C@H](C)N2CCC(c3nc[nH]n3)CC2)cc1C 91590520 FQSQMVUKFZCMOZ-NSHDSACASA-N 318.377 2.433 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN1CC[C@@H](c2ccccc2)C1 69701428 BIPPWBQVHDBNTI-CQSZACIVSA-N 303.406 2.100 0 40 DEAB O=C(CCc1ccsc1)NCCC(=O)Nc1ccncc1 69740338 JNZGBMJRDWWNCU-UHFFFAOYSA-N 303.387 2.221 0 40 DEAB CCO[C@@H]1C[C@H]1C(=O)N(Cc1ccncc1)Cc1cccnc1 72281815 QMJNCGWNKYBKCN-IAGOWNOFSA-N 311.385 2.430 0 40 DEAB CCc1nc(C)ncc1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72287794 LFQHFRROMXKKGJ-GFCCVEGCSA-N 315.377 2.059 0 40 DEAB CCn1cc(CN2CCN(Cc3ccc(Cl)cn3)CC2)cn1 97108617 OEABQSADBSMVTQ-UHFFFAOYSA-N 319.840 2.269 0 40 DEAB Cn1cc(CNC2CCN(C3CC3)CC2)c(-c2ccncc2)n1 97159722 OZZYDMIJCVAGBX-UHFFFAOYSA-N 311.433 2.199 0 40 DEAB Clc1ccc(CNC2CCN(c3ncccn3)CC2)cn1 72314104 HJPHVPPQCQSOBB-UHFFFAOYSA-N 303.797 2.284 0 40 DEAB CCn1cc(C2CCN(CC(=O)Nc3cc(C)on3)CC2)cn1 97203143 RJNDYAVDNDICKR-UHFFFAOYSA-N 317.393 2.018 0 40 DEAB Cc1cccc(N(CC(=O)O)S(=O)(=O)c2ccc(F)cc2)c1 113873993 WSIQLTJLJPKNPN-UHFFFAOYSA-N 323.345 2.414 0 40 DEAB NC(=O)NOCc1coc(-c2ccc(C(F)(F)F)cc2)n1 95439392 RKBBKZLEIYMTAB-UHFFFAOYSA-N 301.224 2.460 0 40 DEAB CN(Cc1ccc(N(C)C)nc1)Cc1nnc(-c2ccco2)o1 95446792 SEZFSHSGFISFJR-UHFFFAOYSA-N 313.361 2.423 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2 95400702 UKGHTZLQBRBSQZ-LSDHHAIUSA-N 322.405 2.190 0 40 DEAB CCN(C(=O)CN1CC[C@H](CO)C1)[C@H](C)c1ccc(F)cc1 95418143 LCTQFLDORHMWGD-KGLIPLIRSA-N 308.397 2.049 0 40 DEAB C[C@@](CO)(NC(=O)NCCc1nccs1)C1CCCCC1 88545157 KCHOCZXSNJFMTL-HNNXBMFYSA-N 311.451 2.316 0 40 DEAB C[C@H](NCc1noc(C2CC2)n1)c1ccc2c(c1)NC(=O)CO2 95984462 ZAIFZQRXVLBHCZ-VIFPVBQESA-N 314.345 2.129 0 40 DEAB O=S(=O)(Cc1ccccc1NCCCO)c1ccccc1 95965290 DXPCJMZKXXHLNK-UHFFFAOYSA-N 305.399 2.455 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@@H](CC(=O)O)c1ccccc1 95958130 IXUFCCAYDPYVSQ-AWEZNQCLSA-N 302.330 2.166 0 40 DEAB Cn1c(CN2CCC[C@@H]2C(C)(C)O)nnc1-c1ccccc1 95978826 OQWJVKUQOCSYTH-CQSZACIVSA-N 300.406 2.217 0 40 DEAB CCc1cc(N[C@H]2CCN(C3CC3)C2=O)nc(-c2ccccn2)n1 89282914 LRWHASCUPKYXSY-HNNXBMFYSA-N 323.400 2.276 0 40 DEAB COC(=O)CCC(C)(C)NC(=O)C1=Cc2ccccc2OC1 75138446 WLHUNUDZWDELMR-UHFFFAOYSA-N 303.358 2.310 0 40 DEAB COCCN(C)C[C@@H]1CCC[C@@H]2CN(c3ccc(C)nn3)C[C@@H]21 63527183 XRMXGHSCJQIRPM-GVDBMIGSSA-N 318.465 2.216 0 40 DEAB O=C(NO[C@@H]1CCCN(Cc2ccccc2)C1=O)C1CCCC1 89737978 BYXXZPSHBCBIIT-MRXNPFEDSA-N 316.401 2.416 0 40 DEAB COC[C@@H](O)CN[C@@H]1CCc2c(F)ccc(Br)c21 89703419 WPJPAAVSXQFAEZ-QPUJVOFHSA-N 318.186 2.172 0 40 DEAB CC1(C)[C@@H](NCC(=O)N2CCOCC2)C[C@H]1c1ccccc1 123702394 ZKJQFWSJSQYDHQ-HOTGVXAUSA-N 302.418 2.017 0 40 DEAB O=C(NC1CC(OCc2ccccc2)C1)c1cccc2ncnn12 545921651 IONNRTNFWKMZEE-UHFFFAOYSA-N 322.368 2.207 0 40 DEAB CN(C)C(=O)N1Cc2cccn2[C@H](COc2ccccn2)C1 306125956 DGZMLEPAIHGJKP-AWEZNQCLSA-N 300.362 2.000 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1cc2c(s1)CCC2 32425436 UMWLOILHDFGWBY-UHFFFAOYSA-N 312.398 2.252 0 40 DEAB CCCN1CCC[C@H]1CNC(=O)c1nc[nH]c1C(F)(F)F 1027931512 HTIWZLASUBEDEK-VIFPVBQESA-N 304.316 2.033 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)c1cn(-c2ccccc2)nn1 32815531 PBJQVZHJEGIZAJ-UHFFFAOYSA-N 308.297 2.248 0 40 DEAB Cc1ccccc1N(Cc1nc(CS(C)(=O)=O)no1)C(C)C 72610364 KQXFNNHVHSALFX-UHFFFAOYSA-N 323.418 2.338 0 40 DEAB Cc1cncnc1C1CCN(C(=O)[C@]2(C)CCCCN2C)CC1 72367290 KYEBPTTZEFQHFH-SFHVURJKSA-N 316.449 2.365 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 44816474 PDDSPVLCTXSIIF-DZGCQCFKSA-N 313.353 2.410 0 40 DEAB COCCNC(=O)c1cc(N)ccc1Nc1cccc(OC)c1 225478411 HUXGVJGPOFQKBR-UHFFFAOYSA-N 315.373 2.397 0 40 DEAB Cc1cccc(C)c1NC(=O)c1cc(N2CCOCC2)on1 224072632 KVMPYMPYPSFOMR-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 196466385 FHOGXXUNJQGWOP-DGCLKSJQSA-N 309.362 2.004 0 40 DEAB CC1CCN(CCNS(=O)(=O)c2ccc3c(c2)CCC3)CC1 45745100 DUTFXKPLKSGZKH-UHFFFAOYSA-N 322.474 2.186 0 40 DEAB COc1cccc2c1CC[C@]2(N)C(=O)N1CCCC(F)(F)C1 1579288983 XBWSQGZNJQXCNG-MRXNPFEDSA-N 310.344 2.053 0 40 DEAB CS[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cnn(C(C)C)c1 96428178 CMCYTDGIYJXPGA-STQMWFEESA-N 317.480 2.417 0 40 DEAB O=C(N[C@H](c1cc(F)ccc1F)C1CC1)c1ccc(O)nn1 96432695 DHOLOMXOHJEWEP-AWEZNQCLSA-N 305.284 2.342 0 40 DEAB Cn1cc(-c2csc(CC(=O)NCc3ccccc3)n2)cn1 96421296 WXSWHFBOPNJCCW-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB COc1cccc(-c2ccc3c(c2)O[C@H]2CNC[C@H]2N(C)C3=O)c1 514289984 QIAXCNYEGFRVLE-AEFFLSMTSA-N 324.380 2.167 0 40 DEAB biogenic,in-vitro CCC(CC)C(=O)N1C[C@@H]2Oc3ccccc3C(=O)N(C)[C@@H]2C1 514289780 OLPNUHPARRYARQ-ZBFHGGJFSA-N 316.401 2.167 0 40 DEAB biogenic,in-vitro CCS[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccon1 96456154 XAZCIVSFDMHFPM-RYUDHWBXSA-N 304.437 2.158 0 40 DEAB CCCOc1c(Cl)cc(C(=O)NCCO)cc1OCC 98066967 GFXPHVWDEBJHOB-UHFFFAOYSA-N 301.770 2.250 0 40 DEAB Fc1cccc(-c2nnc3sc(Cn4ccnc4)nn23)c1 96231439 CVGNDDXNQSRBOA-UHFFFAOYSA-N 300.322 2.237 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)o1 332102673 QRZJBMZNUNOYCR-JTQLQIEISA-N 319.386 2.031 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccncc1 96184576 SZNSLGPWKCPFGC-CABCVRRESA-N 314.414 2.027 0 40 DEAB C[C@H](NC(=O)CS[C@H]1CCc2ccc(F)cc21)C(=O)N(C)C 95418079 SHODRMCUQXJQEB-HZMBPMFUSA-N 324.421 2.139 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCO[C@H]1C(C)C 96454493 KXKUTIPLKIZIOD-PBHICJAKSA-N 307.438 2.147 0 40 DEAB CC[C@@H](NCc1c(C)noc1C)c1cccc(S(N)(=O)=O)c1 97370688 IMKNDQKWIKFGFZ-OAHLLOKOSA-N 323.418 2.180 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(Cl)c[nH]1)CC2 96420941 YQTOQEHVMWUFOU-STQMWFEESA-N 312.797 2.060 0 40 DEAB CC[C@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1cccs1 96424711 VTBCKZJLULGLFX-CABCVRRESA-N 310.463 2.332 0 40 DEAB Cc1cccc(N2CCN(c3ncnc4c3ncn4C)CC2)c1C 624496333 RCXUVNMOLZMJCY-UHFFFAOYSA-N 322.416 2.307 0 40 DEAB Cc1cc2nc(C3CCN(C(=O)c4cccn4C)CC3)ccn2n1 257217908 DBBUDQMMCMQQMY-UHFFFAOYSA-N 323.400 2.396 0 40 DEAB COCCN1CCC[C@@H](c2cncc(-c3nc(C)c[nH]3)n2)C1 257231330 GGFKBNFNWJAVAG-CYBMUJFWSA-N 301.394 2.001 0 40 DEAB Fc1ccc(OCCN2CCO[C@@H](c3cnccn3)C2)cc1 257324973 WQZHOPAQSCTNNI-MRXNPFEDSA-N 303.337 2.068 0 40 DEAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccccn1 49384602 SVFCCEYESNYMNJ-UHFFFAOYSA-N 309.369 2.181 0 40 DEAB CCSc1ccc(NC(=O)NCCc2cnn(C)c2)cn1 58437837 VRSTVNWPNCKKFV-UHFFFAOYSA-N 305.407 2.291 0 40 DEAB COc1ccc(COC[C@H](O)CNC(=O)C[C@@H]2C=CCC2)cc1 58401894 DQSZPDBYOXAZPS-GDBMZVCRSA-N 319.401 2.045 0 40 DEAB Cc1nnc2n1CCN(C(=O)CCc1ccc([C@H]3C[C@H]3C)o1)C2 69454040 HTMWIMMNFNDVOJ-RISCZKNCSA-N 314.389 2.278 0 40 DEAB Cc1nc([C@@H]2OCC[C@@H]2CNc2nc(C(C)(C)C)ns2)n[nH]1 1550652847 PYRJNGXTTPNVSE-NXEZZACHSA-N 322.438 2.452 0 40 DEAB COc1cc(CNCCn2cc(C)cn2)c2c(c1)C[C@@H](C)O2 69917893 SDTBEDXJYBHLSL-CYBMUJFWSA-N 301.390 2.313 0 40 DEAB CCc1cnc(CNC(=O)N[C@@H](CO)c2ccccc2)s1 74843046 HJSDQHPFQBJAEH-ZDUSSCGKSA-N 305.403 2.238 0 40 DEAB Cc1oc2c(c1CC(=O)N(C)CCN(C)C)C(=O)CC(C)(C)C2 12360908 UIHLPUXWPXOVPS-UHFFFAOYSA-N 320.433 2.306 0 40 DEAB CN(C)[C@H]1CCOC2(CCN(C(=O)c3ccsc3)CC2)C1 1565542239 FCQJTYHJTQWPIN-AWEZNQCLSA-N 308.447 2.464 0 40 DEAB O=C(N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2)C1(F)CCC1 1565549541 ZGFWUIBIKCXXGH-GJZGRUSLSA-N 303.381 2.149 0 40 DEAB CC(C)CN(C(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 4504588 OLWPUXWAPPUFFZ-AWEZNQCLSA-N 313.394 2.111 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@@H]1C 40105709 OGMJPUSKXQEGEM-GXFFZTMASA-N 316.423 2.165 0 40 DEAB COc1ccc(C2=CCN(C(=O)[C@H](C)n3cncn3)CC2)cc1 40542404 OKLAEQNVKNLRMH-ZDUSSCGKSA-N 312.373 2.164 0 40 DEAB Cc1cc2c(NCCC(=O)NC[C@@H]3CCCO3)ncnc2s1 31868849 JZQPXOHPAUXCFO-NSHDSACASA-N 320.418 2.097 0 40 DEAB Cc1cccc(OCC(=O)N[C@H](Cc2ccccc2)C(=O)O)c1 484720 VGWDIRFNZKTCJE-MRXNPFEDSA-N 313.353 2.186 0 40 DEAB CC(C)C(=O)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 2724909 GPYWXPBZHWVSEI-NRFANRHFSA-N 303.387 2.229 0 40 DEAB Cc1cc(/C=C(\C#N)C(=O)NC(N)=O)c(C)n1-c1ccccc1 6962105 RCLWCXGWIQHBQG-NTEUORMPSA-N 308.341 2.196 0 40 DEAB CCN(Cc1cnc(C)cn1)[C@H]1CCN(c2ccccc2)C1=O 75610352 GFRYSQWAZNQAKC-KRWDZBQOSA-N 310.401 2.412 0 40 DEAB CN1C(=O)COc2ccc(NC(=O)c3cccc(F)c3)cc21 12126816 YNSUYAXHFZRFCM-UHFFFAOYSA-N 300.289 2.433 0 40 DEAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 100616352 ZOHDOFBGGUXZSD-WGIXJMRHSA-N 317.385 2.359 0 40 DEAB Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccncc2)cc1 23074847 FQBNCZOBZBWRAM-KRWDZBQOSA-N 323.396 2.484 0 40 DEAB Cc1cccc([C@H]2C[C@@H]2C(=O)NCC(=O)N2CCCCC2)c1 69381058 SNNNQEOJJMFTLV-CVEARBPZSA-N 300.402 2.227 0 40 DEAB COc1ccc(NC(=O)CN2C[C@H](C)OC[C@H]2C)cc1Cl 34892255 NCGYWUWPLQNRHX-MNOVXSKESA-N 312.797 2.396 0 40 DEAB COc1ccc(OC)c2c1CN(c1cncc(Cl)n1)C[C@@H]2O 43535102 MNKNGUISDUTGNF-JTQLQIEISA-N 321.764 2.201 0 40 DEAB O=C(CCc1nc(-c2cccs2)no1)NCc1cccnc1 29631309 LXSHEXQBESRXSH-UHFFFAOYSA-N 314.370 2.442 0 40 DEAB Cc1occc1C(=O)N1[C@H]2COC[C@H]1CC(OCC1CC1)C2 107262268 XMIJJMOEUMITSX-ZIAGYGMSSA-N 305.374 2.387 0 40 DEAB COCc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 44549733 DXKABFHDQLPUKV-UHFFFAOYSA-N 324.336 2.068 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)n1 61108481 DEJWVPAYRFKFRP-KRWDZBQOSA-N 313.401 2.457 0 40 DEAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCCC(C)C 58290301 COUVEYIXQKKQNV-UHFFFAOYSA-N 304.394 2.147 0 40 DEAB CC(C)=CC(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 58278912 DNOSTCABQVNOLE-UHFFFAOYSA-N 312.373 2.104 0 40 DEAB O=C(Cc1csc(Cc2ccccc2)n1)NCc1cc[nH]n1 44977932 IDRLBQJNPIPDGC-UHFFFAOYSA-N 312.398 2.316 0 40 DEAB Cc1ccc(-c2nc(CN3CCN(CCO)CC3)cs2)cc1 58754256 PGPIMZLAJPOXSI-UHFFFAOYSA-N 317.458 2.228 0 40 DEAB O=C(COC(=O)Cc1ccccc1Cl)NCc1ccco1 28612259 VDSTUBSVFLBYFJ-UHFFFAOYSA-N 307.733 2.335 0 40 DEAB O=C(N[C@H]1CCCC[C@@H]1N1C(=O)CSC1=O)c1ccccc1 28283866 CNVMJPRBVBVLHN-STQMWFEESA-N 318.398 2.423 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)CCOCC(F)(F)F)C2)c1 69485256 QILLDFZADZUYRJ-GFCCVEGCSA-N 319.327 2.324 0 40 DEAB COC(=O)c1cc(F)c(C)c(NCC(=O)NCc2ccco2)c1 69484253 ZADFWLOUWXALMY-UHFFFAOYSA-N 320.320 2.242 0 40 DEAB CCOc1cccc([C@@H](C)NC(=O)N2CCC(C(N)=O)CC2)c1 63323844 STPFSLREHSUPMX-GFCCVEGCSA-N 319.405 2.053 0 40 DEAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)N1CCCCC1 64479417 YJAXRYZPWRSPPA-UHFFFAOYSA-N 316.810 2.338 0 40 DEAB COC(=O)c1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 49621963 YDGFXGVVSHLYPQ-UHFFFAOYSA-N 310.309 2.072 0 40 DEAB C[C@@H]1CCCN(C(=O)CSc2nnnn2-c2ccccc2)C1 5042671 ZRHPJYKVQQWKHC-GFCCVEGCSA-N 317.418 2.013 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@@H]1Cn1cccn1 69771274 HGZJSFGUUPYYHW-GFCCVEGCSA-N 311.345 2.171 0 40 DEAB COCCN1CC[C@H](CNC(=O)/C=C/c2c(F)cccc2F)C1 69738867 QNTNNMUHORFBAP-URWSZGRFSA-N 324.371 2.063 0 40 DEAB CCOc1cccc2c1OCC(C(=O)Nc1nc(C)no1)=C2 65623299 XWVMCICMGFRDOY-UHFFFAOYSA-N 301.302 2.191 0 40 DEAB C[C@H]1CCCC[C@H]1OCCN1CCN(Cc2nccn2C)CC1 65623877 ZWTRVTTVPPGWDK-DLBZAZTESA-N 320.481 2.133 0 40 DEAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2ccc[nH]2)C1=O 72287150 XUJAVTJEUQSROC-AWEZNQCLSA-N 315.348 2.388 0 40 DEAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)NC(=O)CO2 15670769 RMJJTHSHWBAFKM-UHFFFAOYSA-N 316.288 2.174 0 40 DEAB CSc1ccc(NC(=O)N[C@@H](C)C[S@](C)=O)cc1F 96010583 MQUIWTZDMWKXIT-WPCRTTGESA-N 304.412 2.436 0 40 DEAB COc1c(NC(=O)NC[C@@H](C)c2ncc(C)s2)c(C)nn1C 97113571 DQQUZLNNCIFIFJ-MRVPVSSYSA-N 323.422 2.427 0 40 DEAB O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1cccnc1 97141689 OWANSSRVCIHVNB-UHFFFAOYSA-N 306.240 2.439 0 40 DEAB O=C(NC[C@@H]1SCCc2ccccc21)N1CCC(CO)CC1 96455198 LTFHFRPXJWOFPZ-INIZCTEOSA-N 320.458 2.431 0 40 DEAB COC(=O)Nc1cccc(OS(=O)(=O)c2cccnc2)c1 83891514 UYTDJUYRQSGCFE-UHFFFAOYSA-N 308.315 2.028 0 40 DEAB COC(=O)c1ccc(-c2noc([C@@H]3CCn4cncc4C3)n2)cc1 97371608 ODMUZQREXFCFDI-CYBMUJFWSA-N 324.340 2.450 0 40 DEAB CNC(=O)CN1CCC(CN(C)[C@@H](C)c2cccc(C)c2)CC1 72667183 RIBDIHMQTTXETK-INIZCTEOSA-N 317.477 2.446 0 40 DEAB O=C(CN1CCCOC1=O)N[C@H]1CCC[C@H]1c1ccc(F)cc1 84613714 QKQLCYULQUCEDX-GJZGRUSLSA-N 320.364 2.420 0 40 DEAB COCCN(Cc1ccc(C)o1)C(=O)NC1CCC(O)CC1 95413798 FVFDNXMQASLRCW-UHFFFAOYSA-N 310.394 2.050 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCCC[C@H]1Cn1ccnn1 95456740 WNRLJKMVAPMUPC-HNNXBMFYSA-N 302.353 2.041 0 40 DEAB CN(CCCNc1nc2ccccc2c(=O)[nH]1)CC(F)(F)F 97995059 WAIVNJSTQFUEME-UHFFFAOYSA-N 314.311 2.219 0 40 DEAB CCOC(=O)c1cccnc1NCc1ccc2[nH]c(=O)[nH]c2c1 95941159 WPTOCCVPJOPAHN-UHFFFAOYSA-N 312.329 2.040 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(F)cc1 95980364 FDYASYGYMSINCK-AWEZNQCLSA-N 303.337 2.379 0 40 DEAB O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1cc(=O)[nH]c2ccccc12 95943274 WHAHGXRMRYDBHT-BLLLJJGKSA-N 312.369 2.216 0 40 DEAB CN(C)C1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1 89314080 KGVGNUZGMAWHJD-UHFFFAOYSA-N 317.437 2.240 0 40 DEAB CCC[C@H]1SCCN1C(=O)c1cnc2ccc(C)cn2c1=O 89950094 BBRHSWVAQOYROW-CQSZACIVSA-N 317.414 2.318 0 40 DEAB C[C@](NC(=O)c1ccncc1F)(C(N)=O)c1cccc(Cl)c1 89905197 WSIUKYCMZKCEFX-OAHLLOKOSA-N 321.739 2.005 0 40 DEAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)c1 20143853 ORKOZRFOLKWLCR-UHFFFAOYSA-N 301.298 2.416 0 40 DEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)N1CCCCC1)C(=O)N2 486007 LXRVJTYVYXVCNN-YEWWUXTCSA-N 314.385 2.027 0 40 DEAB biogenic COc1cc(N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)nn1C 548467310 XFLHWVGRUSGMBB-GFCCVEGCSA-N 320.780 2.300 0 40 DEAB c1ccc(-n2ncc3c(NCc4cccnc4)nnnc32)cc1 56907325 NJWROVFHSDPXFP-UHFFFAOYSA-N 303.329 2.218 0 40 DEAB CC(=O)N1CC[C@H](CNc2cc(C)nc(-c3ccccn3)n2)C1 521394238 GBQVTUITCWYKEV-CQSZACIVSA-N 311.389 2.127 0 40 DEAB O=C(Cn1ccc(=O)c2sccc21)NC(C1CC1)C1CC1 78987326 ZNXPRWUDETXAIL-UHFFFAOYSA-N 302.399 2.368 0 40 DEAB C[C@H](C(=O)N(C)Cc1ccccn1)N1CCc2ccccc2C1 78777288 BYFVWDOKVYLITE-OAHLLOKOSA-N 309.413 2.487 0 40 DEAB O=c1[nH]c(-c2ccccc2Br)nc2nccnc12 225733893 MTTTYQNTCTXJJT-UHFFFAOYSA-N 303.119 2.143 0 40 DEAB CCc1ccc([C@H]2COCCN2C(=O)Nc2cc(C)n(C)n2)o1 195568935 GRRHHJRZAFWOSS-CYBMUJFWSA-N 318.377 2.489 0 40 DEAB Cc1cnc(C)c(N2CCN(C(=O)c3ccccc3F)CC2)n1 195563662 RJZNFLJJFANGRW-UHFFFAOYSA-N 314.364 2.195 0 40 DEAB O=C(Nc1cnc(-n2cccn2)nc1)c1c(F)cccc1F 224243120 XOKDIELSNJCRIA-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB C[C@@H](CCC1CC1)NC(=O)c1cc(N2CCOCC2)ccn1 225491745 KDTWPXKHUINSJE-ZDUSSCGKSA-N 303.406 2.227 0 40 DEAB O=C(NCc1ccc(F)cn1)N[C@@H]1CCCC12CCOCC2 575603709 HKUQCNVFCJSBGB-CQSZACIVSA-N 307.369 2.369 0 40 DEAB COc1ccc(CNC(=O)N2CCN3CCCC[C@H]3C2)c(C)c1 532592919 BLABRYGBZRZKLU-INIZCTEOSA-N 317.433 2.383 0 40 DEAB Cc1cc(Br)cn(CCO[C@@H]2CCCCO2)c1=O 194718857 AYZCIFRSLHEYEH-GFCCVEGCSA-N 316.195 2.462 0 40 DEAB Cc1ccnc2nc(C(=O)NCCc3cc4ccccc4o3)nn12 96417077 OCINGYLLBGOBSP-UHFFFAOYSA-N 321.340 2.151 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NCc1cccc(N(C)C)n1 95437496 JKZRMDGSGCMQTB-LBPRGKRZSA-N 302.378 2.171 0 40 DEAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)C1CCOCC1 96413360 LDHLDTWRZJOIGF-HNNXBMFYSA-N 311.809 2.176 0 40 DEAB C[C@@H](CN1CC[C@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 230310512 DZQCEGIOOTZOLN-FZMZJTMJSA-N 316.854 2.067 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2COC[C@]2(COCC2CCC2)C1 96207897 XDPGGYBYARPUPR-CZUORRHYSA-N 322.430 2.048 0 40 DEAB CSCCCCNC(=O)NC[C@](C)(O)c1cccs1 96417794 DRBPPXHBPRPVDA-ZDUSSCGKSA-N 302.465 2.398 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(F)c(F)c2)CCO1 96437444 AJIOAUOEBFABRT-PWSUYJOCSA-N 314.332 2.083 0 40 DEAB O=C1C[C@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)CN1 579990542 TYRUEKPSKRQBBG-HNNXBMFYSA-N 318.392 2.323 0 40 DEAB CC(C)(C)CN1C[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 96080855 CGUJTFVVHLJKPS-HUUCEWRRSA-N 322.474 2.285 0 40 DEAB CO[C@@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 535047785 ZDFUAUDPGCLERC-PKSOCPPESA-N 306.450 2.038 0 40 DEAB O=C(NC1CCC1)C1=NO[C@@]2(CCN(Cc3ccccc3)C2)C1 96225558 OVOOTYKUASIWGP-SFHVURJKSA-N 313.401 2.076 0 40 DEAB CCO[C@@H](C)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 97372877 WUYCLUFDKLGWFV-ZDUSSCGKSA-N 320.433 2.179 0 40 DEAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@H](C)CC3)cc12 96402771 IEKSAVUCMZTFJI-NSHDSACASA-N 322.434 2.087 0 40 DEAB C[C@@](CO)(NCc1nnnn1-c1ccccc1)C1CCCCC1 96420061 VPEFWXBSJLFPCU-KRWDZBQOSA-N 315.421 2.083 0 40 DEAB Cc1ccc(F)c(O[C@@H]2CCCN(c3cnn(C)c3)C2=O)c1 96428983 BVDQAYPLZZTAEO-CQSZACIVSA-N 303.337 2.442 0 40 DEAB Fc1cccnc1OC[C@@H]1CCOC12CN(Cc1ccoc1)C2 247517279 KFRGQQQTEFWEEJ-AWEZNQCLSA-N 318.348 2.484 0 40 DEAB Cc1cc(CC[C@H]2CN(C(=O)c3cccs3)CCO2)ncn1 257317650 VKPZVILBNXKZNB-AWEZNQCLSA-N 317.414 2.320 0 40 DEAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1ccc2ncccc2c1 257316935 VHPZDAVHAFLMJK-MRXNPFEDSA-N 322.368 2.480 0 40 DEAB O[C@H]1CCCOC12CCN(CC1=Cc3ccccc3OC1)CC2 257332406 XXFJBGWFSMSZMG-SFHVURJKSA-N 315.413 2.468 0 40 DEAB CCO[C@H](C)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 253397584 FGYLEKJJBZTFRB-KGLIPLIRSA-N 305.422 2.350 0 40 DEAB CCc1cc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)no1 257267138 MGCGPVYUOPBKCK-CQSZACIVSA-N 316.361 2.199 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)Nc1nnc(C2CC2)s1 43359512 FBWGYBVJRXHKIN-UHFFFAOYSA-N 318.358 2.466 0 40 DEAB Cc1cnccc1OC1CCN(C(=O)[C@@H](C)n2cccn2)CC1 278336280 MIVFHAKIPUBGTH-CQSZACIVSA-N 314.389 2.218 0 40 DEAB O=C(Cc1cccs1)NCC[C@@H](O)c1ccc2c(c1)OCO2 90612504 HOLDLJNBZCLVGX-CYBMUJFWSA-N 319.382 2.259 0 40 DEAB O=S(=O)(c1cccs1)N1CCC[C@H](Oc2ccncc2)C1 575612204 JHAIQLYVITWSPX-ZDUSSCGKSA-N 324.427 2.375 0 40 DEAB O=C(CCF)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585113099 ZTGHHEJOIKAIQX-HNNXBMFYSA-N 317.364 2.021 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N2CCC(OCC(C)C)CC2)no1 54324836 YILJWJLDIYPFII-CYBMUJFWSA-N 309.410 2.447 0 40 DEAB O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCC1 56997105 JKVOXYGSJGXOER-UHFFFAOYSA-N 301.434 2.115 0 40 DEAB Cc1oc(-c2ccco2)nc1CN1C[C@@H](C(N)=O)CC[C@@H]1C 69382287 TZEANPOXUYTFCV-JQWIXIFHSA-N 303.362 2.329 0 40 DEAB Cc1cnc2[nH]c(C3CC3)c(CN3CCC[C@@H](C(N)=O)C3)c2c1 72395258 NQEABVBBPAHOCN-CYBMUJFWSA-N 312.417 2.446 0 40 DEAB CC(=O)N1CC[C@@H](C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)C1 89802148 IPXJKVPZCQFJNK-ZBFHGGJFSA-N 315.417 2.338 0 40 DEAB CN(C)C(=O)NCCNC(=O)Nc1ccc(C(F)(F)F)cc1 97049390 IBFPUBPGDJLBTN-UHFFFAOYSA-N 318.299 2.098 0 40 DEAB COc1ccccc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1 98016259 TWLDVMFBXHLAGV-CYBMUJFWSA-N 303.280 2.225 0 40 DEAB C[C@@H]1CN(Cc2nnsc2Cl)CCN1c1nccs1 95351828 DJCWXVGTSRICRQ-MRVPVSSYSA-N 315.855 2.359 0 40 DEAB CC1(C)CN(CCSc2ccccc2F)CCS1(=O)=O 97227610 OQMYZHSKTADUTQ-UHFFFAOYSA-N 317.451 2.427 0 40 DEAB CC[C@@H](C(=O)N1CCc2nc(C)[nH]c(=O)c2C1)c1ccccc1 12241919 BSQFAKVDLMQIAI-CQSZACIVSA-N 311.385 2.157 0 40 DEAB O=C(NCCc1ccc(F)cc1)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 13119506 OECIMCWMCSINEQ-NEBZKDRISA-N 305.349 2.231 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)CCc2ccccc2)c2ccccc2O1 13434801 UWRNNNGZHJOTNV-INIZCTEOSA-N 311.337 2.498 0 40 DEAB Cc1cc(NC(=O)COc2ccc(N3CCCC3=O)cc2)no1 15573964 YDVKXIGPFGGQQG-UHFFFAOYSA-N 315.329 2.127 0 40 DEAB C[C@@H]1CN2CCC[C@H]2CN1Cc1cnc(N2CCCCC2)nc1 19575198 VGTHMCIEADFXIZ-WBVHZDCISA-N 315.465 2.135 0 40 DEAB CC(=O)N1CC(C(=O)N2CCC[C@@H]2c2ccc(C)c(C)c2)C1 19747550 FRYCRCMPJXZDMT-QGZVFWFLSA-N 300.402 2.445 0 40 DEAB Cn1ncc(C(=O)NCCc2ccccc2F)c1-n1cccc1 30928588 UXWOXUMGDIMIED-UHFFFAOYSA-N 312.348 2.322 0 40 DEAB O=C1CO[C@@H]2[C@@H](c3ccccc3)CN(Cc3ccccc3)[C@@H]2CN1 2037981178 YDDROPHSSNJNPK-QWFCFKBJSA-N 322.408 2.170 0 40 DEAB COC[C@@H]1CN(C(=O)c2c(C)cccc2F)Cc2cn(C)nc21 1614932074 JNPHYSUXVSELEC-ZDUSSCGKSA-N 317.364 2.254 0 40 DEAB COc1ccc(CN[C@@H]2CCc3onc(CN(C)C)c3C2)cc1 2055734899 WSSGLMHIDSKALM-CQSZACIVSA-N 315.417 2.392 0 40 DEAB O=C(NCC1(c2ccccc2)CCCCC1)c1ccc(=O)[nH]n1 40511126 XFVCTUHFWWTDHR-UHFFFAOYSA-N 311.385 2.402 0 40 DEAB O=C(CSc1ncnc2ccccc12)NC[C@@H]1CCCO1 254216 RUBKODHNWOUVCS-NSHDSACASA-N 303.387 2.017 0 40 DEAB COc1ccc(/C=C/C(=O)OCC(=O)NCC(C)C)c(OC)c1 3485667 ACIXUYLSHFGITP-SOFGYWHQSA-N 321.373 2.032 0 40 DEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1 6175213 LGGMWRCMULGKAL-ZDUSSCGKSA-N 324.446 2.192 0 40 DEAB O=C(NCCc1ccc(F)cc1)[C@H]1COc2ccccc2O1 6305472 AZQLTWJCDVBWDL-MRXNPFEDSA-N 301.317 2.324 0 40 DEAB COc1ccc(CNC(=O)N2CCCC[C@@H]2[C@@H](C)O)cc1OC 69484274 TYWXDUXRMSAFGA-TZMCWYRMSA-N 322.405 2.149 0 40 DEAB O=C(CN1CCc2cncnc2C1)N[C@H](c1ccccc1)C1CC1 69490095 ZMFKEHXNMCXFBF-LJQANCHMSA-N 322.412 2.102 0 40 DEAB CC1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 102700880 NAFCYFZROUFKRP-NNVWEFMASA-N 320.433 2.245 0 40 DEAB CCCOC(=O)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@@]23C=C[C@H]1O3 100833734 LGIAPXVOZIRQPS-FSZRXZPDSA-N 319.401 2.054 0 40 DEAB CNC(=O)COc1ccc(C(=O)OC2CCCCC2)cc1OC 52928465 NJNZRXPNIQPLAV-UHFFFAOYSA-N 321.373 2.310 0 40 DEAB COC(=O)c1cc(Br)c(=O)n(Cc2ccccc2)c1 504424 CTFMVNFBNVUKBX-UHFFFAOYSA-N 322.158 2.446 0 40 DEAB CC(=O)N[C@H](CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(C)cc1 22241128 JSXBUNZRBRKSKB-CKEIUWERSA-N 318.417 2.198 0 40 DEAB C[C@H](NC[C@H]1CCOC1)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217933 YQQKMVQVOIJPHO-NWDGAFQWSA-N 318.421 2.420 0 40 DEAB COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)NCC(F)(F)F)c1 23630998 OKAXSBSWCKASMH-VIFPVBQESA-N 319.279 2.344 0 40 DEAB C[C@@H](CNC(=O)N1CCc2sccc2C1)Cn1cccn1 54574637 UBIJTTAFHOVVKQ-LBPRGKRZSA-N 304.419 2.349 0 40 DEAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccncc1)[C@H]2C(=O)O 102360020 KEUYELIHZTYLBG-UGQVUOCMSA-N 314.385 2.391 0 40 DEAB NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCCc1ccccc1 106180601 AVMBDHKOXJFYSM-PMPSAXMXSA-N 315.417 2.057 0 40 DEAB C[C@H](NCc1cnc(N2CCOCC2)nc1)[C@H]1C[C@H]2CC[C@H]1C2 106826036 BULMKPVIYMCLTH-NXNVCVFFSA-N 316.449 2.228 0 40 DEAB COCc1ccccc1CNC(=O)CCc1c(C)nn(C)c1C 25306544 UGTXVDQWDFUTSP-UHFFFAOYSA-N 315.417 2.432 0 40 DEAB CN(C)C(=O)c1nnc2sc(-c3ccc(Cl)cc3)nn12 57354703 ASYTYDPAENIKID-UHFFFAOYSA-N 307.766 2.208 0 40 DEAB O=C1NCCN(C(=O)C2CC2)[C@@H]1c1ccccc1C(F)(F)F 97081677 YSCPBKIXTAEXEF-GFCCVEGCSA-N 312.291 2.115 0 40 DEAB CC(C)(C)n1cc(NC(=O)N[C@@H](CO)Cc2ccccc2)cn1 97099268 IGFXGNSOAVWOEI-CQSZACIVSA-N 316.405 2.363 0 40 DEAB CCn1cc(NC(=O)c2cc(C)nc(N3CCCCC3)n2)cn1 72239796 DWGKQKHVKIWZKH-UHFFFAOYSA-N 314.393 2.244 0 40 DEAB COc1ccc(NC(=O)[C@H]2C[C@H]2c2cnn(C)c2)cc1OC 58161426 YMXKYVOXYVRLBM-STQMWFEESA-N 301.346 2.180 0 40 DEAB COc1ccc(OCCNC(=O)c2cc(C(C)=O)c[nH]2)cc1 10292250 QHKWSSKYMNZZEC-UHFFFAOYSA-N 302.330 2.035 0 40 DEAB CCOc1cc(C(=O)Nc2ccc(-n3ccnc3)nc2)ccn1 72287252 MNYJNBBMNQKGNM-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB Cc1nc([C@H]2CCCN2Cc2ccc3c(c2)OCCO3)no1 84281029 ZTFDQSGKQGNDBY-CYBMUJFWSA-N 301.346 2.486 0 40 DEAB C[C@@H]1COCCN1C(=O)NCc1ccc(-c2ccn[nH]2)cc1 48236183 OCUYVRSNNFIAEA-GFCCVEGCSA-N 300.362 2.007 0 40 DEAB CN(Cc1ccsc1)C(=O)CCS(=O)(=O)C1CCCC1 44948993 CXMDNFYDLWSPOD-UHFFFAOYSA-N 315.460 2.454 0 40 DEAB O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccccc1 10778839 PBZHAWPYDPXAEJ-UHFFFAOYSA-N 309.369 2.116 0 40 DEAB CCOc1cc2c(cc1CNCCNC(=O)C(C)C)O[C@@H](C)C2 48355319 RXZSKKQWEAKARS-ZDUSSCGKSA-N 320.433 2.271 0 40 DEAB C[C@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)[C@@H](C)CO1 45448574 DBWHSCHEMABEFG-QWRGUYRKSA-N 321.402 2.367 0 40 DEAB O=C(NCCOCCO)Nc1ccc2c3c(cccc13)CC2 69566558 FNQMKBSDVCUDPQ-UHFFFAOYSA-N 300.358 2.069 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)NCCc1nccn1C(F)F 69558201 APPHZYSZHZGGBR-NSHDSACASA-N 323.347 2.409 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)no1 91776970 KMJFHTAEPLVRRH-IINYFYTJSA-N 308.284 2.209 0 40 DEAB CON(C)C(=O)c1cnn(-c2ncccc2Cl)c1C(F)F 69696407 KIQJHMYBTKIGBH-UHFFFAOYSA-N 316.695 2.492 0 40 DEAB CCN(C(=O)[C@H]1CCCc2ccccc21)[C@@H](C)CS(C)(=O)=O 69740808 WIGGUQQKDVHQAH-BBRMVZONSA-N 323.458 2.388 0 40 DEAB CC(C)CCNC(=O)COCC(=O)Nc1ccc(Cl)cc1 13844764 CNTGYYMPKCXDOQ-UHFFFAOYSA-N 312.797 2.457 0 40 DEAB COc1ccc([C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)cc1F 39983324 SQBATEIVBNKZRB-BONVTDFDSA-N 310.369 2.172 0 40 DEAB Cc1csc([C@H]2CN(c3nn4cc(C)nc4s3)CCO2)n1 65462900 QONGSOYKOZQWIK-SNVBAGLBSA-N 321.431 2.442 0 40 DEAB NC(=O)c1cccc(CN2CC[C@@H](CNc3ccccn3)C2)c1 65457869 QMDQIWOEDZTMMA-HNNXBMFYSA-N 310.401 2.115 0 40 DEAB CCn1ncc(CNS(=O)(=O)c2ccc(Cl)cc2)c1C 14249647 UVRDWXNYGCNVIG-UHFFFAOYSA-N 313.810 2.343 0 40 DEAB CCC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 8880187 YYKKHOROQNMEPE-UHFFFAOYSA-N 304.346 2.002 0 40 DEAB CC(C)n1nccc1NS(=O)(=O)c1ccc2c(c1)CCO2 66248424 LBIZNHWWLWXNLN-UHFFFAOYSA-N 307.375 2.200 0 40 DEAB C[C@](O)(CNC(=O)[C@H]1Cc2ccccc2O1)c1ccsc1 76085089 MIXDXXCRRAMEEM-ZBFHGGJFSA-N 303.383 2.076 0 40 DEAB Nc1nc(N)nc(SCCCOc2ccc(Cl)cc2)n1 8935896 VSIXJXXWAPTPHG-UHFFFAOYSA-N 311.798 2.251 0 40 DEAB COC(=O)c1ccc(O[C@H](C)C(=O)NC2CCCC2)c(OC)c1 7033243 UDPLXTQLUMOKLU-LLVKDONJSA-N 321.373 2.308 0 40 DEAB CN(Cc1ccsc1)C(=O)Cn1nnc(-c2ccccc2)n1 7279516 YGDZIOKKXCNVKP-UHFFFAOYSA-N 313.386 2.060 0 40 DEAB CCN1CCC[C@@H]1CNC[C@H](O)COc1c(C)cccc1C 19371575 XLADGMJAOJTUKK-SJORKVTESA-N 306.450 2.117 0 40 DEAB Cc1ccc(-c2nc(CNc3ccc(C(N)=O)nn3)co2)cc1 80699953 RTWZGSWCULEWLJ-UHFFFAOYSA-N 309.329 2.151 0 40 DEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1 16969859 GFLCHXJFJMIFIK-UHFFFAOYSA-N 301.795 2.173 0 40 DEAB Cc1nc(C)c(C(=O)N[C@H](C(=O)O)c2ccccc2F)s1 97231160 ADGPHKNOMARESR-NSHDSACASA-N 308.334 2.455 0 40 DEAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CC[C@H](O)C1 96435199 FAHJEAXRCZXZRT-NSHDSACASA-N 306.753 2.124 0 40 DEAB CC(=O)N1CCCN(C(=O)CCc2c[nH]c3ccccc23)CC1 71876842 RKAVWDXHTOLJGU-UHFFFAOYSA-N 313.401 2.181 0 40 DEAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCO[C@@H]2CCCC[C@H]21 71821200 KGPGGCOYDPWDME-HZPDHXFCSA-N 312.369 2.312 0 40 DEAB Fc1cccc(CCN(Cc2nnnn2C2CC2)C2CC2)c1 71905301 HOUZUYZCMTXGPV-UHFFFAOYSA-N 301.369 2.354 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 71903975 ODCRKHCJLHUHCQ-QZTJIDSGSA-N 324.428 2.171 0 40 DEAB COCCNC(=O)c1ccc(N2CCc3sccc3C2)nc1 71937263 PBSQIHZABILQCZ-UHFFFAOYSA-N 317.414 2.082 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2C)C1(C)C 71915918 YZYLBHDICGGYGQ-CABCVRRESA-N 318.417 2.045 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)CSc1ccccc1 71904043 SGNSCHTWCSAWMA-UHFFFAOYSA-N 315.460 2.108 0 40 DEAB O=C1Cc2cc(Nc3ncc(Br)cn3)ccc2N1 72945623 DQMVBKWACOAXSR-UHFFFAOYSA-N 305.135 2.477 0 40 DEAB Cc1nc(C)c(C(=O)N2CCN(c3nc(C)c(C)s3)CC2)o1 95436399 OZKZGQVBYPXCBV-UHFFFAOYSA-N 320.418 2.327 0 40 DEAB CC[C@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1cccc(C)c1 79018863 YZSFSOAGOSQQGG-OAHLLOKOSA-N 314.385 2.281 0 40 DEAB O=C(NCCNC(=O)N1CCC[C@H]1C1CCC1)C1CCCC1 95947413 UIBOCDHIIOHVOA-HNNXBMFYSA-N 307.438 2.267 0 40 DEAB CCc1onc(C)c1NC(=O)C(=O)N[C@H](C)Cc1ccsc1 95976079 XUMHNHRCELVYRO-SECBINFHSA-N 321.402 2.293 0 40 DEAB C[C@H]1[C@@H](C)N(Cc2cnn(C)c2)CCN1C(=O)OC(C)(C)C 95989384 OWHLUCJXGYWUCI-OLZOCXBDSA-N 308.426 2.250 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@]2(CO)CCc3ccccc32)cc1 95972958 IJFJUFBBBDETLV-QGZVFWFLSA-N 317.410 2.107 0 40 DEAB COC(=O)c1cc(CN(C)Cc2nnc3n2CCC3)c(C)s1 89140510 IFSDZJKMBHTLDP-UHFFFAOYSA-N 320.418 2.013 0 40 DEAB Cc1nc([C@H]2CCCN2C[C@H](O)COCc2ccccc2)no1 89718200 XYFCUNPTOIGKHM-JKSUJKDBSA-N 317.389 2.093 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@H]2c2noc(C(C)C)n2)no1 75581764 LDGQHJNKUNIPOG-NSHDSACASA-N 319.365 2.265 0 40 DEAB O=C(O)CSc1nc(-c2ccc(Br)cc2)n[nH]1 20159400 FMZDWAVZDUKCHX-UHFFFAOYSA-N 314.164 2.411 0 40 DEAB O=C(OCc1ccccc1)N1CCC[C@@]2(CC1)COCCN2 306145611 KMECBIMQBZPRHK-QGZVFWFLSA-N 304.390 2.168 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 32400754 ILEVTDPZKVRDBH-AOOOYVTPSA-N 303.811 2.446 0 40 DEAB NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 33720581 JYNMZFGTPJYNNC-HNNXBMFYSA-N 302.355 2.153 0 40 DEAB CN1C(=O)C[C@H](C(=O)NCC2CCC2)[C@@H]1c1ccc(F)cc1 72259866 LQDGTQXCWNHFMQ-HOCLYGCPSA-N 304.365 2.261 0 40 DEAB CC[C@@H](NC(=O)c1cn2c(n1)CCC2)c1c(C)nn(C)c1C 567614834 FXCIRJRPDDEQTG-GFCCVEGCSA-N 301.394 2.061 0 40 DEAB CC[C@H](Nc1ccc(N2CCOCC2)nc1)c1cnn(C)c1 180039665 IKOXIOMAIKNBTI-HNNXBMFYSA-N 301.394 2.215 0 40 DEAB CCNS(=O)(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 74975979 JYQZVVMYMQLBEZ-LURJTMIESA-N 317.358 2.057 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@@](C)(O)c2cccs2)cc1 75155857 FKMXTIWAYFXLJL-MRXNPFEDSA-N 304.415 2.452 0 40 DEAB COc1ccccc1CNC(=O)C(=O)Nc1cc(F)ccc1C 42646117 ZKDJIOAEWYYAHB-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB C[C@@H]1OCC[C@H]1S(=O)(=O)N1CCc2cccc(F)c2[C@@H]1C 195574517 IPPQDVGGILOJER-COPLHBTASA-N 313.394 2.252 0 40 DEAB O=C(C[C@H]1CNCCO1)N[C@H](Cc1ccccc1)c1ccccc1 195543079 LHOWUGVULVBEJA-RBUKOAKNSA-N 324.424 2.465 0 40 DEAB C[C@H]1c2ccsc2CCN1C(=O)Cn1nnc2c1CCCC2 578880699 LYNUDUQJPYXODB-NSHDSACASA-N 316.430 2.364 0 40 DEAB O=C1C[C@]2(CCN(c3nncs3)C2)CN1c1cccc(F)c1 96238655 OBJDDWCGLNCPTA-HNNXBMFYSA-N 318.377 2.311 0 40 DEAB O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccsc2)O1 96187224 GOHVSPFWLGCXTO-BZUAXINKSA-N 320.458 2.396 0 40 DEAB COc1cc2c(cc1OC)CN(c1ncnc(Cl)c1N)CC2 95097788 KSBZLPRHUXHGKR-UHFFFAOYSA-N 320.780 2.292 0 40 DEAB O=C(CC1CC1)N1CCC2(CC1)C[C@H](Oc1ccccn1)CO2 96107001 RKNOQERKDOSECI-HNNXBMFYSA-N 316.401 2.411 0 40 DEAB Cn1cc(N2CC[C@@H](Nc3cncc(Br)c3)C2)cn1 96429523 LZUHHLOACQXPQC-LLVKDONJSA-N 322.210 2.268 0 40 DEAB O=C(CC1CCCC1)N1C[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 96246219 DKDFFQXJXSQAIQ-JKSUJKDBSA-N 314.433 2.342 0 40 DEAB COc1ccc(N2CCC(C(=O)NC3CCCCC3)CC2)nn1 95475330 RQBZELWNJRGEGH-UHFFFAOYSA-N 318.421 2.151 0 40 DEAB C[C@@H]1OCC[C@H]1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 253369668 GNNJTWJSITWATR-VNHYZAJKSA-N 308.447 2.378 0 40 DEAB CN(C)c1ncc(CN2CCN(C)[C@@H](c3ccccc3)C2)cn1 257318852 VPQPFSCLJSTPGV-QGZVFWFLSA-N 311.433 2.031 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2cnn(C)c2C)n1 257331796 XUHFZYUQBFHICL-CQSZACIVSA-N 301.394 2.056 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)COc2ccccc2)n1 257229714 FZFHATIVAXMGGH-OAHLLOKOSA-N 312.373 2.261 0 40 DEAB Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 257339956 ZDXIUGLAYPPUGJ-LLVKDONJSA-N 309.416 2.025 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2C(=O)Cc2ccsc2)O1 252484231 FSDVEGNHFUORFX-ZZVYKPCYSA-N 323.414 2.001 0 40 DEAB CCOC(=O)C[C@@H](C(=O)OCC)n1cccc1Br 575411006 XBRIHMATWWZTMG-VIFPVBQESA-N 318.167 2.308 0 40 DEAB CO[C@]1(COc2cccc(C)c2)CCN(Cc2cnccn2)C1 585274959 SFCSSGAXWQBZPV-GOSISDBHSA-N 313.401 2.455 0 40 DEAB CN1CC[C@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1=O 55545521 ZADAYKSSBPRNRY-QMMMGPOBSA-N 316.279 2.234 0 40 DEAB COc1cc(OC)nc(N2CCN(c3cccc(C)c3)CC2)n1 676496550 KMKZMQCVFBFGGX-UHFFFAOYSA-N 314.389 2.129 0 40 DEAB CC(C)C[C@](C)(CN)NS(=O)(=O)Cc1ccccc1F 95972636 LJWKKVWYFHFLPL-CQSZACIVSA-N 302.415 2.009 0 40 DEAB CCCc1cc(C(=O)NCc2noc(-c3ccccc3)n2)[nH]n1 12147390 CEZHADQRELVAOG-UHFFFAOYSA-N 311.345 2.342 0 40 DEAB CN(C)CCNC(=O)Nc1cnc2c(Cl)cccc2c1O 13565991 SQNGJWBBBITGJZ-UHFFFAOYSA-N 308.769 2.277 0 40 DEAB CCCn1nnnc1COC(=O)c1ccc(-n2cccc2)cc1 19354022 XBHFBPHNTXMFCF-UHFFFAOYSA-N 311.345 2.231 0 40 DEAB O=C(c1ccc2c(c1)OCCO2)N1CCCCC[C@H]2NCC[C@@H]21 19712353 VEMSKPXLTTUKAG-CABCVRRESA-N 316.401 2.205 0 40 DEAB Cc1nccn1CCC(=O)N1CCC([C@@H]2CCCCN2C)CC1 19746559 OZUOXNDRZQLKCY-KRWDZBQOSA-N 318.465 2.305 0 40 DEAB COC[C@H]1CN(C)CC12CCN(Cc1ccc(OC)cc1)CC2 169789863 XMBMUHAHJLPLKQ-QGZVFWFLSA-N 318.461 2.485 0 40 DEAB Cc1cc2ncc(CCCNC(=O)c3c(C)noc3C)cn2n1 206822608 KAPXIGUIXKTUPN-UHFFFAOYSA-N 313.361 2.005 0 40 DEAB O=C(NCC(F)(F)F)c1ccnc(O[C@H]2CCSC2)c1 225722901 DLQWUXVOTYXPPY-VIFPVBQESA-N 306.309 2.258 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 585149569 HOMRTEMKKKWHIB-GHMZBOCLSA-N 320.355 2.196 0 40 DEAB Cc1nc(S[C@H](C)C(=O)NC(N)=O)n(C2CCCC2)c1C 5090294 YWLRXKPDIZIWQX-SNVBAGLBSA-N 310.423 2.291 0 40 DEAB COc1ccc(CCC(=O)NC2CN(c3ccccn3)C2)cc1 1888863670 OJZLQJNGOCYTII-UHFFFAOYSA-N 311.385 2.028 0 40 DEAB Cc1ncsc1C(=O)N1CCC(Oc2ncc(F)cn2)CC1 1147386511 SIHPFAJTRCZNTE-UHFFFAOYSA-N 322.365 2.064 0 40 DEAB CCC(CC)C(=O)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2CCOC 1775964358 IYGPWRVSVZMJJP-ARLBYUKCSA-N 324.465 2.058 0 40 DEAB biogenic,in-vitro Cc1cc(C)c(NC(=O)CN2C(=O)CS[C@@H](C)C2=O)c(C)c1 2711105 WUCAEZJNTSSVRW-LBPRGKRZSA-N 320.414 2.041 0 40 DEAB Cc1ccc(N2C[C@@H](NC(=O)Nc3cccnc3)CC2=O)cc1 4272583 BYKUEHFLKIXMIV-AWEZNQCLSA-N 310.357 2.317 0 40 DEAB CNC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 12444130 HLVIUEQFTMUWQO-UHFFFAOYSA-N 306.412 2.407 0 40 DEAB C[C@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cccs1 75155860 TURUJKWHQYHKKA-HNNXBMFYSA-N 305.355 2.114 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2c(C)noc2C)n1 40541194 QOAMGBAIACPWBY-JTQLQIEISA-N 304.394 2.100 0 40 DEAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(C)cc1 101142801 VXQYZRWZVMFPSK-OTRWWLKZSA-N 324.380 2.113 0 40 DEAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(O)cc2)NC(=O)N1 279800 IEQOZCOWUPNFLD-ZDUSSCGKSA-N 304.346 2.362 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3C[C@@H]2C)n1 18098707 YZPXRPPSSRPSRT-NSHDSACASA-N 315.398 2.148 0 40 DEAB CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1 60535634 SKTLFCLPCNWMGH-QMTHXVAHSA-N 314.788 2.377 0 40 DEAB Nc1nc(Cl)cc(Nc2ccc(N3CCC(O)CC3)cc2)n1 52211188 MNGDDGCAAQDXFT-UHFFFAOYSA-N 319.796 2.417 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCC(=O)N1CCCC1)C2 102390978 MIGVZWUVFLHSTE-AHIWAGSCSA-N 307.438 2.123 0 40 DEAB CN1CCO[C@@H](CNCc2coc(-c3ccc(Cl)cc3)n2)C1 69899223 XYRIQPXIWNOUBV-HNNXBMFYSA-N 321.808 2.415 0 40 DEAB Cc1nnc(S/C(=C\c2ccc(OCC#N)cc2)C(=O)O)o1 7603780 BAYLCPQLIHYIQY-WQLSENKSSA-N 317.326 2.498 0 40 DEAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)NC(C)(C)C 4982271 WDUPWHRCOTUUKS-LLVKDONJSA-N 303.358 2.309 0 40 DEAB CCC[C@H](C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 6946409 VNPMATUBCQFCEV-ZDUSSCGKSA-N 312.435 2.066 0 40 DEAB COC(=O)c1ccc(C)c(NC(=S)NCCCN(C)C)c1 7065274 NFJFGGQWRYJTCP-UHFFFAOYSA-N 309.435 2.020 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100159443 IVAWDFYOOSCURA-KWRZAIAESA-N 308.381 2.418 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)c2ccc(Cl)cn2)c1 76019280 ZZDFJCNKVHRZMY-UHFFFAOYSA-N 317.776 2.067 0 40 DEAB COc1ccc(Br)cc1CC(=O)O[C@@H]1CCOC1 76090334 YHMUIJJPKKEUGO-LLVKDONJSA-N 315.163 2.332 0 40 DEAB c1cnc(N[C@H]2CO[C@]3(CCCN(Cc4ccco4)C3)C2)nc1 107730786 MKMAWSJBDSWHBF-RHSMWYFYSA-N 314.389 2.305 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2c[nH]ccc2=O)c1 47672424 IBSXNWKUDLJBFL-GWCFXTLKSA-N 311.341 2.222 0 40 DEAB CC(=O)N[C@@H](NC(=N)c1ccccc1)C(Cl)(Cl)Cl 3124906 QBQQHTWBWXCBMY-JTQLQIEISA-N 308.596 2.434 0 40 DEAB NC(=O)c1ccccc1NC(=O)c1cc(=O)c2ccccc2o1 3135983 JXDFGYZWXJBIJL-UHFFFAOYSA-N 308.293 2.144 0 40 DEAB CN1C(=O)CC[C@H](C(=O)N2CCSCC2)[C@H]1c1ccccc1 57355553 PZIYFHDFWNXHEI-GOEBONIOSA-N 318.442 2.172 0 40 DEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)N[C@H](C)c1cc(C)ccc1OC 108956448 IOSKNWPBCKNTHJ-YWPYICTPSA-N 321.421 2.264 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCN2CCCC[C@H]12 106083102 YRIOMNMHOWBFND-GHMZBOCLSA-N 307.423 2.164 0 40 DEAB COc1cc(C(=O)Nc2cc(C)ccn2)cc2c1OCCO2 9364665 UADOUUUMDGIRCV-UHFFFAOYSA-N 300.314 2.422 0 40 DEAB CC(C)N(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)CN)CC1 100178269 CZYZWFWZEROSQK-CALCHBBNSA-N 303.450 2.283 0 40 DEAB COc1ccccc1-c1cc(COC(=O)c2cnn(C)c2)on1 26277701 CJXNUXXIKIEYHF-UHFFFAOYSA-N 313.313 2.441 0 40 DEAB COc1ccc(CNC(=O)COC(=O)c2ccc(C)cc2)cc1 3388473 BEPJWIQANZNYOY-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB Cc1cn2nc(NC[C@@H]3COc4ccccc4O3)sc2n1 26692442 HUOHRNLALNZULD-SNVBAGLBSA-N 302.359 2.351 0 40 DEAB Cc1cc(C(=O)NC[C@@H]2CCCO2)c2cnn(C(C)C)c2n1 27396825 HDQUYGQRZYHZHN-LBPRGKRZSA-N 302.378 2.229 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1ccc(Cl)cc1N1CCCC1=O 27397881 DUBPHYMRUJNIIA-LBPRGKRZSA-N 322.792 2.376 0 40 DEAB O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1ccco1 26950105 ZUPNGJKIAFOOLL-UHFFFAOYSA-N 315.354 2.314 0 40 DEAB COc1ccccc1[C@@H](C)NS(=O)(=O)N1CCCCCC1 12799198 JUIFETXPOXPYPX-CYBMUJFWSA-N 312.435 2.467 0 40 DEAB CNC(=O)NC(=O)CCN(C)[C@@H](C)c1cc2ccccc2o1 12757234 WRSRQAMITOHSRT-NSHDSACASA-N 303.362 2.271 0 40 DEAB C[C@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)[C@@H](C)CO1 45447873 NXIKCMXBCCISEP-STQMWFEESA-N 315.373 2.305 0 40 DEAB NC(=O)[C@@H](OC(=O)Cc1noc2ccccc12)c1ccccc1 11249230 QDIXSQWJMNRDGY-INIZCTEOSA-N 310.309 2.140 0 40 DEAB CCc1noc([C@H](C)Sc2nc(C)c(CC(N)=O)s2)n1 48705830 QDLBVXOXEHCJQC-ZETCQYMHSA-N 312.420 2.278 0 40 DEAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(C)(=O)=O 8578961 WFABCFUBCHMBEW-UHFFFAOYSA-N 308.403 2.008 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)OC(=O)Cn2nc(C)cc2C)cc1 17732620 ULGGRZHRXSXFSB-AWEZNQCLSA-N 315.373 2.379 0 40 DEAB c1cc(COc2ccc(-n3cnnn3)cc2)c2c(c1)OCCO2 64338699 XQTBUBOQBOSRGG-UHFFFAOYSA-N 310.313 2.013 0 40 DEAB O=C(c1cccc2c1OCO2)N1CCCC[C@H]1Cn1cccn1 69971398 DWJZAENHNYGTET-ZDUSSCGKSA-N 313.357 2.307 0 40 DEAB Cc1nn(CC(=O)N2CCC[C@@H]2Cn2cccn2)c(C)c1Cl 69968503 CUAAGBQNXKXLQT-CYBMUJFWSA-N 321.812 2.041 0 40 DEAB COC(=O)CCCNC(=O)Cc1cccc(C(F)(F)F)c1 49985092 UDOVHCMUCLXJRU-UHFFFAOYSA-N 303.280 2.317 0 40 DEAB Cc1cc(C)cc(-c2nnc(SCCC(=O)NC(N)=O)o2)c1 8735574 MQESIGSQSARXEF-UHFFFAOYSA-N 320.374 2.031 0 40 DEAB c1ccc2c(c1)CC[C@H]2NCc1cnc(N2CCOCC2)nc1 65473656 HKBYZADEEDWWBY-QGZVFWFLSA-N 310.401 2.090 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNC[C@@H]1COc3ccccc3C1)CN2 65517688 XPZAPOUUZWOCOT-CABCVRRESA-N 312.417 2.074 0 40 DEAB COc1ccc(-n2c(=O)c3ccccc3n3c(S)nnc23)cc1 6476370 ZCNPLTHUEQLIJX-UHFFFAOYSA-N 324.365 2.331 0 40 DEAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 14189153 VHJZVRGNPFFDOT-SSDOTTSWSA-N 308.186 2.367 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H]1c1cccs1 14123248 YFTURKZJQZRMAW-GHMZBOCLSA-N 318.450 2.479 0 40 DEAB S=C1NC2=C(C3=NCCN3)CCC[C@H]2[C@@H](c2ccccc2)N1 6537738 IEPMWIFZGHMDID-GXTWGEPZSA-N 312.442 2.261 0 40 DEAB CCNC(=O)c1ccccc1NC(=S)NC(=O)CC(C)C 8723244 NASBGHRBTIWKDC-UHFFFAOYSA-N 307.419 2.295 0 40 DEAB CCC[C@H]1C[C@H](C(=O)Nc2ccc(C(N)=O)cc2F)CCO1 96002075 HISHTABFUXSDFN-NEPJUHHUSA-N 308.353 2.458 0 40 DEAB O=C(CCn1c(=O)oc2ccc(Cl)cc21)Nc1ccon1 6764256 SGBDNQWKJDKJJY-UHFFFAOYSA-N 307.693 2.265 0 40 DEAB CCc1ccc([C@@H](NC(=O)CCS(C)(=O)=O)C(C)(C)C)o1 71072358 HIHVFKSCRLEACK-CQSZACIVSA-N 315.435 2.480 0 40 DEAB COc1coc(C(=O)NCCc2c[nH]c3ccccc23)cc1=O 16850754 KHYCIORJAAKPLY-UHFFFAOYSA-N 312.325 2.102 0 40 DEAB biogenic Cc1cc(C(=O)N(CCc2ccccc2)[C@@H]2CCOC2)no1 84116945 WSNLXTUAUMLLBF-OAHLLOKOSA-N 300.358 2.457 0 40 DEAB C[C@@H]1CN(Cc2cnc(N3CCOCC3)nc2)c2ccccc21 97057537 OQGRQNRHPMGRBH-CQSZACIVSA-N 310.401 2.437 0 40 DEAB O=C(CCN1CCC[C@@H](N2CCCC2=O)C1)c1ccccc1 97045710 GPJFTKZAJSAKNK-MRXNPFEDSA-N 300.402 2.346 0 40 DEAB C[C@H]1CN(CCC2CCN(Cc3ccnn3C)CC2)C[C@H](C)O1 93844383 IWQRFFIXYVONOK-HOTGVXAUSA-N 320.481 2.131 0 40 DEAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCOCC1 19877768 JVFKQRBGWLOUTP-NSHDSACASA-N 306.189 2.065 0 40 DEAB CN1CC[C@H](SCc2ccc(OCC(F)(F)F)nc2)C1=O 97019963 GYSBSAUFIJFHQB-JTQLQIEISA-N 320.336 2.487 0 40 DEAB COC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C)cc2Cl)C1 72283213 WRYWFUFUBPMYTN-GFCCVEGCSA-N 324.808 2.472 0 40 DEAB COC(=O)c1cccc(NC(=O)CCc2cccnc2)c1O 71889179 RZRBDQYIJPVXCA-UHFFFAOYSA-N 300.314 2.145 0 40 DEAB CCC(=O)Cn1nc(-c2ccc3c(c2)OCCCO3)ccc1=O 71883926 GONGTNDOTDGQAI-UHFFFAOYSA-N 314.341 2.051 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)[C@@H](C)n2ccnc2)c1 71865966 VLNYIGLIRLRYNW-HUUCEWRRSA-N 301.394 2.030 0 40 DEAB OCCCN(CCO)Cc1ccc(Cl)cc1Br 71905288 VAONUMWJNXBTRI-UHFFFAOYSA-N 322.630 2.279 0 40 DEAB Cc1ccc(-c2cc(CNC[C@H]3CN(C)CCO3)on2)cc1 72267917 VLPVHMYRQJLMOC-INIZCTEOSA-N 301.390 2.070 0 40 DEAB Cc1cc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)no1 72242241 RUCOBUXCMGOYQP-WFASDCNBSA-N 317.320 2.280 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)[nH]n1 72232384 JIQICBNJTVHOEI-LLVKDONJSA-N 303.366 2.244 0 40 DEAB NS(=O)(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 78883916 IBQSZXBZPNZFOD-OSSATUEASA-N 314.410 2.077 0 40 DEAB O=C(NCc1ccncc1)N(C[C@H](O)c1ccccc1)C1CC1 78999336 KIGUZAYZJRYLLF-KRWDZBQOSA-N 311.385 2.489 0 40 DEAB COC(=O)C(C)(C)C(C)(C)NC(=O)c1cccc(N(C)C)c1 72502123 QEMORZYOEURMBC-UHFFFAOYSA-N 306.406 2.460 0 40 DEAB COC(C)(C)C[C@H](C)NC(=O)NCc1cn2ccsc2n1 78951380 HSCUITCEPJBFBR-JTQLQIEISA-N 310.423 2.399 0 40 DEAB CCCN1CCC(NC(=O)Nc2cc(C(N)=O)ccc2C)CC1 97595761 VFFZZIATBBWJGV-UHFFFAOYSA-N 318.421 2.090 0 40 DEAB COC(=O)[C@@H](C)CC(=O)Nc1ccc(-n2ccnc2)c(F)c1 84636828 RONVOMMFJKDBNO-JTQLQIEISA-N 305.309 2.149 0 40 DEAB O=C(Cc1csc(-c2ncccn2)n1)OC[C@@H]1CCCCO1 84614843 GSOPQSSKFURAAD-LBPRGKRZSA-N 319.386 2.255 0 40 DEAB CCN(CC)C(=O)CCCNC(=O)/C=C/c1ccc(C)nc1 95465636 LFNSPVWLAAFJTI-ZHACJKMWSA-N 303.406 2.168 0 40 DEAB c1cn2cnnc2c(N2CCC[C@H](CN3CCCCCC3)C2)n1 95408826 KGGSYBIXVBXQDV-OAHLLOKOSA-N 314.437 2.217 0 40 DEAB OC[C@H](O)CSCc1nc2cc(C(F)(F)F)ccc2o1 95425992 BFQPJOWCKVSPJY-QMMMGPOBSA-N 307.293 2.433 0 40 DEAB CC[C@@H](C)OCC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 95981848 YGLIZFQIMXZWHN-CYBMUJFWSA-N 316.405 2.027 0 40 DEAB CCc1n[nH]c(S(=O)(=O)[C@@H]2CCc3c(F)cc(F)cc32)n1 95972969 XTTKKGDPKDMSGM-LLVKDONJSA-N 313.329 2.107 0 40 DEAB CCc1cc(C(=O)N(CC(=O)O)C2CCOCC2)sc1C 95970153 DVYSGNAQTBPBLK-UHFFFAOYSA-N 311.403 2.325 0 40 DEAB Cc1c(C(=O)N(C)c2ccccn2)cccc1N1CCNC1=O 89540381 OZFZSAFGZYERCD-UHFFFAOYSA-N 310.357 2.196 0 40 DEAB Cc1nc([C@H]2CCCN2CC(=O)N(C2CCCC2)C2CC2)no1 75573211 UYNRZKACERAQPL-OAHLLOKOSA-N 318.421 2.449 0 40 DEAB C[C@@H]1OCc2cc(=O)n([C@H](C)C(=O)Nc3ccccc3F)nc21 72342396 NJQNUDUEQTXGNN-ZJUUUORDSA-N 317.320 2.173 0 40 DEAB CO[C@H]1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)C1 535047786 ZDFUAUDPGCLERC-STWSTGMMSA-N 306.450 2.038 0 40 DEAB O=C(C[C@H](c1ccccc1)[C@H]1CCCCN1)N1CCOCC1 72208333 YRTFWNXRJFIOKG-IAGOWNOFSA-N 302.418 2.161 0 40 DEAB C[C@@H](Cn1nc(-c2ccco2)ccc1=O)C(=O)Nc1cccnc1 61984072 LMICDVFFRAOKDQ-LBPRGKRZSA-N 324.340 2.173 0 40 DEAB CCc1ccc(CNC(=O)CN2CCO[C@H]3CCC[C@@H]32)s1 79354361 TXEZUVRLPRDIKO-GJZGRUSLSA-N 308.447 2.180 0 40 DEAB CCn1nc(C)cc1C(=O)Nc1ccc(C(=O)O)c(OC)c1 319956761 JXCMBHUIDIINRL-UHFFFAOYSA-N 303.318 2.171 0 40 DEAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 76959624 VYRNVQSRTXFVSZ-BDJLRTHQSA-N 317.364 2.147 0 40 DEAB COc1ccc(NC(=S)NCCCN(C)C)c2cccnc12 225403491 LYLROMOXTYLXSU-UHFFFAOYSA-N 318.446 2.482 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)n1)c1c(F)cccc1F 224197656 KDLRXAKCXGJYLN-UHFFFAOYSA-N 318.327 2.285 0 40 DEAB CCOC(=O)[C@@](C)(C(=O)O)[C@H]1CCc2cc(OC)ccc2C1 82048697 NYKDPNQDSCCMMR-SUMWQHHRSA-N 306.358 2.454 0 40 DEAB Cc1cccn2cc(CC(=O)Nc3cc(C4CC4)nn3C)nc12 1583336593 MTVISYIHWYWFMW-UHFFFAOYSA-N 309.373 2.435 0 40 DEAB O=C(NCc1ncccn1)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 528051032 IALLIFOFZSWNRO-QWRGUYRKSA-N 308.332 2.338 0 40 DEAB Cc1nccn1C[C@@H]1CCCN1c1nc(N)c2ccccc2n1 225597986 FKOCOOYEVZVRLS-ZDUSSCGKSA-N 308.389 2.386 0 40 DEAB CCC(=O)[C@H]1CCCCN1C(=O)c1cnn2ccc(C)nc12 195567727 NKOXFQFTOFWUIZ-CYBMUJFWSA-N 300.362 2.012 0 40 DEAB COc1ccc(Cl)cc1C(=O)NCc1ccnc(N(C)C)n1 224236292 RWGYCJUXXNLCEW-UHFFFAOYSA-N 320.780 2.135 0 40 DEAB C[C@H](C(=O)Nc1ncccn1)N(C)Cc1cccc(N(C)C)c1 89922476 XTSGQSZBJUWYNP-CYBMUJFWSA-N 313.405 2.002 0 40 DEAB C[C@H](CCC1CC1)NC(=O)c1cc(N2CCOCC2)ccn1 225491708 KDTWPXKHUINSJE-CYBMUJFWSA-N 303.406 2.227 0 40 DEAB CO[C@@]1(CNC(=O)c2cc(-c3ccco3)on2)CCSC1 96097578 HWJCCPPPLVQJBB-CQSZACIVSA-N 308.359 2.187 0 40 DEAB Cc1ccc(-n2nnnc2SCN2CCCCC2=O)c(C)c1 97237178 ICGLZFISRXNUNC-UHFFFAOYSA-N 317.418 2.341 0 40 DEAB O[C@H](CN1CCO[C@H](c2nccs2)C1)c1ccccc1F 97199883 DKZRQEUJDRXXSI-KGLIPLIRSA-N 308.378 2.389 0 40 DEAB COc1c(F)cc(NC(=O)NCc2nncn2C2CC2)cc1F 96461241 MQPKLYKESSMRQR-UHFFFAOYSA-N 323.303 2.222 0 40 DEAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCC[C@@H](O)C1 96483433 WTYKXNFXEZVLDQ-SECBINFHSA-N 324.229 2.280 0 40 DEAB COC[C@H]1CN(C)C[C@@]12CCN(C(=O)c1ccc(Cl)cc1)C2 96217943 HWZFYHDKXVVUHG-RHSMWYFYSA-N 322.836 2.380 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)c1cc(C)c(F)cc1Cl)C(N)=O 96469288 BSZRELCVDUEHEJ-JMCQJSRRSA-N 300.761 2.417 0 40 DEAB CCOc1c(F)cccc1C(=O)NCCNC(=O)C1CCCC1 96430814 PLPNYBADOOYZBX-UHFFFAOYSA-N 322.380 2.261 0 40 DEAB Cc1ccc(CNC(=O)Nc2ccn(CCN(C)C)n2)s1 96435367 GACRXLHSIGYEOH-UHFFFAOYSA-N 307.423 2.136 0 40 DEAB CCc1cc(CNC(=O)NC[C@@H]2CCO[C@H]2C(C)(C)C)on1 96421590 ZWSSUMNXUBZPNZ-SMDDNHRTSA-N 309.410 2.487 0 40 DEAB CC[C@@H]1CN(C(=O)NCCc2cn3c(n2)CCCC3)CCS1 96437748 HYGQTQSOTMRDRK-CQSZACIVSA-N 322.478 2.299 0 40 DEAB COc1cccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)c1 96229714 BOVWBQROERQPJB-SFHVURJKSA-N 316.401 2.312 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2C(=O)N2CCCC2)N1c1ccsc1 96083004 DHRLPDNQWAWYLF-QWHCGFSZSA-N 305.403 2.144 0 40 DEAB C[C@@H]1CN(C(=O)CCS(C)(=O)=O)CC[C@H]1c1ccccc1 96425574 ATLZDAVLMVAQCE-UKRRQHHQSA-N 309.431 2.073 0 40 DEAB Cc1nc(CO[C@H]2CN(C(C)C)Cc3ccnn3C2)cs1 248073433 YWNLXCVRNGHCOF-HNNXBMFYSA-N 306.435 2.457 0 40 DEAB CCN(CC)C(=O)C1CCN(C(=O)Cc2ccccc2)CC1 243465773 NJTNDHLKPOYQPR-UHFFFAOYSA-N 302.418 2.336 0 40 DEAB O=C(O)C1CCN(Cc2cnc([C@H]3CCCCO3)nc2)CC1 257321953 WEAZRBVWPKXECY-CQSZACIVSA-N 305.378 2.015 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)CCc2nnc(C(C)C)o2)C1 257340862 ZHUQLBJTPFFCPI-LBPRGKRZSA-N 317.393 2.173 0 40 DEAB CN(c1ccncn1)C1CC2(CCN(Cc3cscn3)C2)C1 257215771 CROMUZXHLNDWOX-UHFFFAOYSA-N 315.446 2.424 0 40 DEAB CO[C@]1(COc2ccccc2)CCCN(C(=O)c2cc[nH]n2)C1 257332235 XWIINDKVDRIWSP-QGZVFWFLSA-N 315.373 2.110 0 40 DEAB CCNC(=S)Nc1nc(OC)cc(N2CCCC[C@H]2C)n1 260742736 YOJCUYKNSFGVKJ-SNVBAGLBSA-N 309.439 2.170 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](Oc3ncc(Cl)cn3)C2)no1 575604681 CQJGJYQKPZGKFK-NSHDSACASA-N 322.752 2.110 0 40 DEAB COCC[C@@H]1CN(C(=O)c2ocnc2C)Cc2cccn2C1 585095268 LRRYQRZZDIPPMK-ZDUSSCGKSA-N 303.362 2.093 0 40 DEAB CCCc1nc(CN(C)[C@@H]2CCC[C@@H]2S(C)(=O)=O)cs1 84093427 OGLTZUVIPQPBAB-OLZOCXBDSA-N 316.492 2.493 0 40 DEAB Cn1cc(C(=O)N2CCc3cc(Br)ccc32)cn1 194517531 DYCLAIPPGYDRIP-UHFFFAOYSA-N 306.163 2.386 0 40 DEAB O=C(O)[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 13434766 LIWNEQWKXAEQMH-CQSZACIVSA-N 301.273 2.318 0 40 DEAB c1csc(-c2[nH]ncc2-c2ccnc(N3CCOCC3)n2)c1 19343924 PGZUUTWFMGTTKL-UHFFFAOYSA-N 313.386 2.432 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19462863 YEHNQLLDSYZVOX-RISCZKNCSA-N 311.385 2.285 0 40 DEAB Cc1nc2ccccc2n1CCn1c(-c2cccnc2)noc1=O 157662174 SJDZCJBGHLEQGA-UHFFFAOYSA-N 321.340 2.257 0 40 DEAB 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O=C(Nc1nccs1)[C@@H]1CSCN1C(=O)c1ccccc1 40556238 DDECUSQLGYCNSQ-NSHDSACASA-N 319.411 2.297 0 40 DEAB CCC[C@@]1(C)NC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O 51373878 VHRSLAWLXCSEDX-SWLSCSKDSA-N 312.316 2.109 0 40 DEAB CCN(CC)S(=O)(=O)N[C@@H]1CCSc2ccccc21 32444846 ZPFXGPJDPRTVPU-GFCCVEGCSA-N 300.449 2.400 0 40 DEAB CCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1 385961 QDJOCYRUUYSVON-UHFFFAOYSA-N 316.382 2.396 0 40 DEAB O=C(NCCc1ccccn1)c1ccc(C(F)(F)F)nc1O 32657303 HLWNAGIUSUNDTO-UHFFFAOYSA-N 311.263 2.174 0 40 DEAB Cc1cnccc1NC(=O)N(C)CC(C)(C)CN1CCOCC1 97035177 KLMJDKBLPIGKSL-UHFFFAOYSA-N 320.437 2.212 0 40 DEAB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc(=O)[nH]n1 6608911 HXMLVMFVIHDFJO-UHFFFAOYSA-N 315.663 2.277 0 40 DEAB Cc1ccnc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 46810689 WTOZHBRKILURGF-UHFFFAOYSA-N 309.329 2.406 0 40 DEAB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC 528454 DCLQTFNCZUBZIT-UHFFFAOYSA-N 317.393 2.302 0 40 DEAB Cc1n[nH]cc1CNC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 69810694 OMFGWDGRSVXHOM-CYBMUJFWSA-N 322.409 2.124 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)COC1CCCCC1)C2 69844317 JIWJLVGABIMHQJ-UHFFFAOYSA-N 306.410 2.093 0 40 DEAB CCCN1CCN([C@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 22915771 XKBNKJPGGGNQOJ-CQSZACIVSA-N 307.413 2.489 0 40 DEAB COC(=O)[C@@H](C)n1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 914892 GQZLTVQZNATFJH-RKDXNWHRSA-N 306.387 2.317 0 40 DEAB CC(C)c1noc(CN2CCC(c3nnc4n3CCC4)CC2)n1 47258317 KBAUTMJJWCZEEK-UHFFFAOYSA-N 316.409 2.110 0 40 DEAB NC(=O)[C@@H](NC(=O)CCCOc1ccccc1)c1ccccc1 54692024 MOJOXPRYHSNYHR-KRWDZBQOSA-N 312.369 2.188 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCN(C[C@H](O)c2cccs2)CC1 56921771 GGELKNPDINMQBW-CABCVRRESA-N 320.458 2.282 0 40 DEAB Cc1ccc(S(=O)(=O)c2c[nH]c(=S)[nH]c2=O)cc1Cl 12415067 TWAHQONIJNIJJY-UHFFFAOYSA-N 316.791 2.227 0 40 DEAB O=C(CN1CCCCCC1=O)Nc1ccc2c(c1)OCCCO2 24859675 GPPDUJPJJHKQOP-UHFFFAOYSA-N 318.373 2.189 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1noc(C(C)C)n1 106829675 KARVVZLJLHSVGO-AVGNSLFASA-N 307.394 2.499 0 40 DEAB Cn1cc(CNC(=O)NCCCc2c[nH]c3ccccc23)cn1 78663524 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DEAB CCc1cc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)sc1C 72269050 VMNLRLBECLUHEY-HUUCEWRRSA-N 322.474 2.290 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)c2c(F)cc(F)cc2F)C1 96470940 QOQWJDWKUQBHRU-AWEZNQCLSA-N 301.264 2.129 0 40 DEAB CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2 71864237 IJRZSSYHHCGXMC-UHFFFAOYSA-N 324.381 2.456 0 40 DEAB in-vitro NC(=O)c1cnc(Sc2ccc3[nH]c(=O)oc3c2)c(Cl)c1 71890234 SDHFLGDKWNRZPJ-UHFFFAOYSA-N 321.745 2.420 0 40 DEAB NC(=O)CN(C(=O)CCn1ccc2ccccc21)C1CCCC1 71821104 RSTRPPBBUKRLFA-UHFFFAOYSA-N 313.401 2.288 0 40 DEAB NC(=O)[C@H](NC(=O)c1ccc(Cl)s1)c1ccc(F)cc1 97146915 WAOGGLRQFTZHPG-LLVKDONJSA-N 312.753 2.497 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCC[C@@H]1CO 96503304 FZLKZTJECQSPEP-HUUCEWRRSA-N 318.417 2.281 0 40 DEAB C[C@@H]1CC[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)[C@H](C)C1 71903663 OOUCLRMTCWLLRZ-YRGRVCCFSA-N 301.452 2.285 0 40 DEAB Cc1nc2n(n1)CCN(Cc1csc(-c3ccccn3)n1)C2 72312005 DPYIUFDZQGKPBV-UHFFFAOYSA-N 312.402 2.121 0 40 DEAB CSCC[C@@H](C)NC(=O)NC[C@](C)(O)c1ccc(C)o1 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2.080 0 40 DEAB COCC(=O)N1CC[C@@H]1c1cc(Nc2ccccc2)nc(C)n1 72387448 DPBSLPWWINPURV-OAHLLOKOSA-N 312.373 2.448 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)C1=NO[C@@H](c2ccccc2)C1 79001916 XROQZPBOUAYDLM-PEBXRYMYSA-N 322.430 2.167 0 40 DEAB O=C(Cn1cccc(C(F)(F)F)c1=O)NC1CCCCC1 32905950 MCRRTAHLBKKIFR-UHFFFAOYSA-N 302.296 2.316 0 40 DEAB COc1ccsc1C(=O)NCCc1ccc2c(c1)OCO2 78557395 DBFNONNNYWOKGL-UHFFFAOYSA-N 305.355 2.458 0 40 DEAB CS[C@H]1CCC[C@@H]1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 74762812 IGGUJSGWLPIIOO-XGUBFFRZSA-N 306.431 2.228 0 40 DEAB Cn1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 72368477 KDBFAMQIDXMNQO-LBPRGKRZSA-N 309.373 2.316 0 40 DEAB CS(=O)(=O)NCCCNc1ccnc2ccc(Cl)cc12 79353692 ZZUXQNXAVVFIOD-UHFFFAOYSA-N 313.810 2.239 0 40 DEAB C[C@H](NC(=O)NCCC(=O)N1CCCCCC1)c1nccs1 78602486 WJJBZKBEHLNLGV-LBPRGKRZSA-N 324.450 2.296 0 40 DEAB C[C@H](C(=O)Nc1ccc2[nH]nc(C(N)=O)c2c1)c1cccs1 89797082 RWDHAGYZJHXCNC-QMMMGPOBSA-N 314.370 2.466 0 40 DEAB c1ccc2c(c1)NCCC[C@@H]2NC[C@H]1COC2(CCOCC2)O1 193107950 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2.225 0 40 DEAB O=C(/C=C/c1ccco1)NCCc1csc(-n2cccn2)n1 90609445 DRBRUCDICRGUSY-SNAWJCMRSA-N 314.370 2.294 0 40 DEAB Cc1cccc(OC[C@]2(O)CCN(Cc3c(C)n[nH]c3C)C2)c1 585275378 AXYXHOLCSDZJKD-SFHVURJKSA-N 315.417 2.351 0 40 DEAB CS(=O)(=O)CC1(COc2cccc3c2CCCC3=O)CC1 679280395 CARVTBWGVOZPJY-UHFFFAOYSA-N 308.399 2.409 0 40 DEAB CC(=O)N1CC[C@H]2[C@H](CCCCN2CC2(O)CCCCC2)C1 585285712 MFCDCTXJHQFVKD-SJORKVTESA-N 308.466 2.405 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(Br)cc2O)C[C@@H](C)O1 44490237 UAIDEYJOBYJOND-DTORHVGOSA-N 314.179 2.404 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 48434655 GXKMRTKZWOGHJR-SNVBAGLBSA-N 324.783 2.448 0 40 DEAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)Cc2ccccc2F)C1 49189039 WYBIGXDMMNHCJS-OAHLLOKOSA-N 318.392 2.133 0 40 DEAB CC(=O)N1CCC(C(=O)N[C@H](C)c2sc(C)nc2C)CC1 56021307 JDGQVVYHULBNNK-SNVBAGLBSA-N 309.435 2.196 0 40 DEAB O=C(NCCN1CCOCC1)N[C@H](c1ccccc1)C1CCC1 69659786 NJIXIVHFPPFIRQ-QGZVFWFLSA-N 317.433 2.159 0 40 DEAB COC(=O)N1CCN(c2ncc(Br)cc2C)CC1 96466552 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Cc1cc([C@H](O)CNC(=O)Nc2ccc3c(c2)OCO3)c(C)o1 1565519947 XNRNEKFVPUWJMS-CYBMUJFWSA-N 318.329 2.480 0 40 DEAB CCn1cc(NC(=O)N2CCC(C(N)=O)CC2)c2ccccc21 5265924 SWSOZWWBFSIIOL-UHFFFAOYSA-N 314.389 2.390 0 40 DEAB CCn1cnnc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C 40535066 IWNDURSCWJIHKR-LLVKDONJSA-N 322.796 2.344 0 40 DEAB COc1ccccc1-n1nnnc1S[C@H]1CCCCC1=O 21085877 QXTBHKSBVJAHQN-ZDUSSCGKSA-N 304.375 2.275 0 40 DEAB Cc1nccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2Cl)n1 75602352 OIOSFDQCWYMGPU-LBPRGKRZSA-N 319.796 2.458 0 40 DEAB COCCn1cc(NC(=O)c2c(C)noc2C(C)C)ccc1=O 46200585 FBZPSBOJGUHROV-UHFFFAOYSA-N 319.361 2.167 0 40 DEAB C[C@@H](CNC(=O)NCC(F)(F)F)N1CCc2ccccc2C1 41198827 LJONCOTZVISNPO-NSHDSACASA-N 315.339 2.295 0 40 DEAB COc1ccc(CCCNC(=O)N[C@H]2CCCN(C)C2)cc1 52560254 YNMHFMWIWSAKRA-HNNXBMFYSA-N 305.422 2.021 0 40 DEAB O=C(c1c(F)cccc1F)N1CCN(c2nccs2)CC1 32904489 MNUGFCXSUXCNLN-UHFFFAOYSA-N 309.341 2.384 0 40 DEAB CCOCCCC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 47090213 FMHCAQUCVPXFSE-NSHDSACASA-N 306.362 2.011 0 40 DEAB C[C@@H](CN(Cc1ccccc1)C(=O)c1cccn1C)C(=O)O 97017835 DHUSCEIZVSMNFB-ZDUSSCGKSA-N 300.358 2.388 0 40 DEAB CCc1nnc2n1C[C@@H](CNCc1c[nH]nc1C(C)(C)C)CC2 69843275 YPXVLNDREWWNPV-GFCCVEGCSA-N 316.453 2.213 0 40 DEAB O=C(CC[C@H]1CCCO1)N1CCCN(Cc2cscn2)CC1 69814195 CWRLTUITSCZKQW-OAHLLOKOSA-N 323.462 2.137 0 40 DEAB COC(=O)[C@@H]1CCCCN1C(=O)c1cn(C)c2ccccc12 42648411 OBCXRFCTVKNMKY-HNNXBMFYSA-N 300.358 2.346 0 40 DEAB CNC(=O)Cc1noc(-c2cnc(OCC(C)C)c(Cl)c2)n1 97083743 PFPPQVUJGINIRP-UHFFFAOYSA-N 324.768 2.108 0 40 DEAB Cc1cnc(NC(=O)Cn2cnc3c(C)cccc3c2=O)s1 18184992 HMTWKGGRAXRNDF-UHFFFAOYSA-N 314.370 2.109 0 40 DEAB Cc1cc(NC(=O)c2cn[nH]n2)ccc1OCC(F)(F)F 72291731 GPOFFHMIZSRNRQ-UHFFFAOYSA-N 300.240 2.307 0 40 DEAB O=C(CCCc1ccccc1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269323 BLGQFERAJUGIBT-ROUUACIJSA-N 316.445 2.067 0 40 DEAB Cc1cccc(OC[C@@H](C)NC(=O)N(C)CCn2cccn2)c1 72277833 CUFOMORFJJMYBL-OAHLLOKOSA-N 316.405 2.300 0 40 DEAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@H]2CCCC[C@H]21 55416492 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40 DEAB NC(=O)CCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 11684925 HMRRHOGNBYIAON-UHFFFAOYSA-N 324.715 2.369 0 40 DEAB CNc1nc(C)c(C(=O)c2ccc(S(C)(=O)=O)cc2)s1 8715578 ONCDHDPGIVYRPY-UHFFFAOYSA-N 310.400 2.128 0 40 DEAB Cc1c(C(=O)N2CCOC[C@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 65575018 YXGMXRIUSUADIV-SNVBAGLBSA-N 304.390 2.339 0 40 DEAB Cc1ccc(C)c(-n2nnnc2S[C@@H]2CCCCNC2=O)c1 14183126 MWAUUAHBVJGHAJ-CYBMUJFWSA-N 317.418 2.040 0 40 DEAB C[C@@H](NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)C1CC1 18208212 XIXKKRJMALMRGX-SNVBAGLBSA-N 317.414 2.364 0 40 DEAB Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)OC[C@@H]1CC=CCC1 67019218 ZRQXMTLLZOCFBI-CYBMUJFWSA-N 315.373 2.081 0 40 DEAB C[S@@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1 80126313 SJOIDEYVXBEULI-QRQCRPRQSA-N 318.398 2.279 0 40 DEAB Cc1ccc2c(c1)[C@H](NC(=O)N[C@@H](C)Cn1cncn1)[C@H](C)C2 96002137 PQFUNTALSOIMQC-DVOMOZLQSA-N 313.405 2.208 0 40 DEAB COC(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68717457 ZVPORPJFRNTLCK-RKDXNWHRSA-N 302.157 2.386 0 40 DEAB C[C@@H]1CCCN(C(=O)CCN2C(=O)COc3ccccc32)C1 16642207 GMYTZOGNGPVJOC-CYBMUJFWSA-N 302.374 2.061 0 40 DEAB CN(CC(F)F)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 83859008 CRFNMTJTGGOBDC-AWEZNQCLSA-N 312.360 2.001 0 40 DEAB O=C(c1cn(Cc2cccnc2)nn1)N1CC[C@@H]2CCCC[C@@H]21 84425121 URKROUKYNUDVFL-HOCLYGCPSA-N 311.389 2.126 0 40 DEAB C[S@](=O)C[C@H](NC(=O)Cc1ccccc1O)c1ccccc1 78994020 DIULBLAFXWALCL-OYHNWAKOSA-N 317.410 2.171 0 40 DEAB O=C(N[C@@H]1CCN(C2CCCC2)C1)N1CCC2(CCOCC2)C1 78942301 DIRGEDYTQPXLJS-OAHLLOKOSA-N 321.465 2.215 0 40 DEAB CC[C@@H]1CN(C(=O)c2c(C)oc(C)c2C)C[C@H]1N1CCOCC1 84735937 MTCSOYVXCGYWGA-HZPDHXFCSA-N 320.433 2.388 0 40 DEAB C1=C(CN[C@@H]2CCO[C@@]3(CCOC3)C2)COc2ccccc21 95457753 FBOHUFGLSNFYDY-AEFFLSMTSA-N 301.386 2.390 0 40 DEAB COc1ccc(F)cc1C(=O)N[C@@H]1c2ccccc2C[C@H]1O 95447882 CMYQROHABPNIIR-GDBMZVCRSA-N 301.317 2.222 0 40 DEAB CC(C)n1cnnc1SCC(=O)Nc1cccc(C(=O)O)c1 95469614 SGUYIEOXQBTJLE-UHFFFAOYSA-N 320.374 2.288 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H](CCC(=O)O)C2)cs1 95992025 UEXLUPISAJPHNU-LLVKDONJSA-N 310.419 2.351 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)c2cc(-c3cccs3)[nH]n2)C1 95989543 WUTPCKIQEDXKBR-AWEZNQCLSA-N 305.359 2.075 0 40 DEAB COC(=O)[C@H]1Cc2ccccc2CN1CC[C@@H]1CCCN1C 95981655 OWQGNCBOFYYBPS-DLBZAZTESA-N 302.418 2.071 0 40 DEAB Cc1ccn2ncc(C(=O)Nc3ccccc3-n3cccn3)c2n1 74466947 GNISWTDOTOKUKH-UHFFFAOYSA-N 318.340 2.476 0 40 DEAB CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1=O 74756383 VZNWUNWYSYXTNP-UHFFFAOYSA-N 308.381 2.119 0 40 DEAB CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@@H]2C1 408493724 CHEBKORZRZOVPL-BFHYXJOUSA-N 307.415 2.490 0 40 DEAB CC1(C)CC(C(=O)N[C@@H]2CCCC[C@@H]2n2cc(C(=O)O)nn2)C1 1551456179 UBPQPHDSWVHUBW-YPMHNXCESA-N 320.393 2.012 0 40 DEAB COCc1ccc(CN/C=C2/C(=O)NC(=O)c3ccccc32)cc1 32080731 CXFQQPLXMVDGJJ-GZTJUZNOSA-N 322.364 2.234 0 40 DEAB CCC[C@@H](C)NC(=O)CN(C)S(=O)(=O)/C=C/c1ccccc1 9114726 INJSFQNNIPMTER-GCZGRYASSA-N 324.446 2.224 0 40 DEAB Cc1ccccc1[C@H]1CN(c2cnn(C)c(=O)c2Cl)CCO1 78367507 CMEUWRTZOZWCAS-CQSZACIVSA-N 319.792 2.320 0 40 DEAB Cc1ncsc1CN1CCC[C@@H]1c1[nH]ncc1C(=O)N(C)C 72366176 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NHGTWBDIDKLDLJ-MRVPVSSYSA-N 314.135 2.233 0 40 DEAB c1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1 292349195 DXHZGQKZGXNJSG-UHFFFAOYSA-N 320.400 2.488 0 40 DEAB CCN(Cc1c[nH]c2ccccc12)C(=O)[C@@H]1CCCN1C(N)=O 331586597 AQIPPXAYZXEAIE-HNNXBMFYSA-N 314.389 2.060 0 40 DEAB CS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1ccc(F)cc1 96532161 IGICEQGDWUTVAD-UHFFFAOYSA-N 311.363 2.416 0 40 DEAB O=C1C[C@]2(CCN(C3CCOCC3)C2)CN1c1ccsc1 96239275 KOGZOOGIGUWUTK-INIZCTEOSA-N 306.431 2.356 0 40 DEAB O=C(NCCc1cccc(O)c1)C(=O)Nc1cccc(Cl)c1 96413564 YILYHPZHSHBCPP-UHFFFAOYSA-N 318.760 2.343 0 40 DEAB COC(=O)c1ccc2c(c1)oc(=O)n2Cc1c(C)noc1C 94986190 RFYYLUHXSYKIGY-UHFFFAOYSA-N 302.286 2.034 0 40 DEAB C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C1CCCCC1 96440412 SFAPQEJSWGRBQB-ZFWWWQNUSA-N 319.453 2.267 0 40 DEAB COc1ccc([C@H](N)c2n[nH]c(-c3ccco3)n2)cc1OC 95533788 MFCWNTDXCPCKEW-ZDUSSCGKSA-N 300.318 2.130 0 40 DEAB O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1C(=O)C1CC1 96402302 RKYFZJSVBLLEMJ-KELMGXQASA-N 316.445 2.328 0 40 DEAB 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DEAB O=C(Cc1noc2ccccc12)N1CCCC[C@@H]1C1OCCO1 69513393 ONDPJTRITUOBDH-CQSZACIVSA-N 316.357 2.124 0 40 DEAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CC(F)C1 1261014757 SPVSZCLLFQNUNY-UHFFFAOYSA-N 301.236 2.187 0 40 DEAB C[C@@H](O)[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5532626 UPSICZTVXCCVHT-DOMZBBRYSA-N 314.341 2.368 0 40 DEAB Cn1ccc(NC(=O)c2ccc(OCC(F)(F)F)nc2)n1 12825728 POWJXGZDTKMPMO-UHFFFAOYSA-N 300.240 2.009 0 40 DEAB S=C(NCc1cccnc1)Nc1ccc2c(c1)OCCO2 17449854 SZMQLJVGYWUDSP-UHFFFAOYSA-N 301.371 2.339 0 40 DEAB Cn1ccc(C(=O)N2CCC[C@@H](c3cc4ncccc4[nH]3)C2)n1 19290921 UNFDOXDCKCRQHG-GFCCVEGCSA-N 309.373 2.316 0 40 DEAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCOC[C@H]1c1cc[nH]n1 1848353889 VEYWWOXKQXBSOT-HNNXBMFYSA-N 314.320 2.244 0 40 DEAB Cn1ccc2c(N3CCC(NC(=O)C(C)(C)C)CC3)ncnc21 2087122279 QUCQAMCISVTHRY-UHFFFAOYSA-N 315.421 2.099 0 40 DEAB C=C1C(=O)O[C@H]2CC(C)=C([C@H](C)CCCOC(C)=O)[C@@H](O)[C@@H]12 15116576 QKUFZFLZBUSEHN-AFVAGHLYSA-N 308.374 2.145 0 40 DEAB CC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1nc2ccccc2[nH]1 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O=C(c1ccccc1Cl)N1CCN(c2ncccn2)CC1 351911 HKAKSDZYAVSXTO-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB O=C(N[C@H]1CCC[C@H]1C(=O)O)c1ccc(C(F)(F)F)nc1 70522873 WGOLYBUDRFBARZ-BDAKNGLRSA-N 302.252 2.084 0 40 DEAB COc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3ccco3)C2)cc1 378755 XTUXMHUIYFBXDW-AWEZNQCLSA-N 320.370 2.399 0 40 DEAB C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 32644838 JQTIFDQMQCXZOR-JTQLQIEISA-N 305.769 2.188 0 40 DEAB Cc1cccc2nc(C(=O)NCc3ccc4c(c3)OCCO4)cn12 21707964 WAXIUAHTHQLJQX-UHFFFAOYSA-N 323.352 2.344 0 40 DEAB Cc1occc1C(=O)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 52940653 LKYUNJPHZYCTTH-SNVBAGLBSA-N 322.386 2.451 0 40 DEAB COc1cc(C(=O)N[C@@H](C(=O)O)C(C)C)cc(Cl)c1OC 33456110 VEZHYBUWFGPLPE-LLVKDONJSA-N 315.753 2.196 0 40 DEAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(O)cc1F 97097502 VEBOMDOJLPDHMO-UHFFFAOYSA-N 303.215 2.385 0 40 DEAB COCc1noc([C@@H](C)Sc2nnc(C3CCC3)n2C)n1 97085319 HCZYAQKWBHRVFW-MRVPVSSYSA-N 309.395 2.465 0 40 DEAB Cc1cccc2nc(C(=O)NCc3ccc(C(=O)O)cc3)cn12 33519094 XQHSDZUREKAIDK-UHFFFAOYSA-N 309.325 2.271 0 40 DEAB Cc1cc([C@H]2CN(C(=O)Cc3ccon3)CCO2)ccc1F 97032144 YEAXSELFVVXCPK-OAHLLOKOSA-N 304.321 2.265 0 40 DEAB CC/C(=C\C(=O)NC[C@H]1CCS(=O)(=O)C1)c1ccc(C)cc1 104183549 TVCXLQYBGUPUKV-MFYHJKBNSA-N 321.442 2.339 0 40 DEAB Cc1cc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1NS(C)(=O)=O 100452130 MHWQBAXJGBRZTJ-LALPHHSUSA-N 322.430 2.285 0 40 DEAB CCOc1ccc2c(c1)c(=O)c(C(=O)N(CC)CC)cn2C 22237284 QQIZFXSCSMPYKD-UHFFFAOYSA-N 302.374 2.419 0 40 DEAB O=C(NCc1ccccc1Cn1cncn1)[C@H]1C[C@H]2CC[C@H]1C2 105572459 HOADTZOECANEDA-ZQIUZPCESA-N 310.401 2.379 0 40 DEAB COc1cccc(NC(=O)CN(C)C(=O)CCc2ccco2)c1 24591477 YBQWIFCEDOTLGB-UHFFFAOYSA-N 316.357 2.318 0 40 DEAB CC1(C)[C@@H]2CC[C@]1(CS(=O)(=O)NCc1ccco1)C(=O)C2 102949829 FTRMSHJAOCNXOK-ABAIWWIYSA-N 311.403 2.094 0 40 DEAB FC(F)(F)c1nnc2ccc(-n3cnc4ccccc43)nn12 1409345 ZIIBCSOOZUYLDA-UHFFFAOYSA-N 304.235 2.482 0 40 DEAB CCN(CC)C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C 56774246 CNRJWWZTLJMFLL-UHFFFAOYSA-N 307.394 2.336 0 40 DEAB O=C(C1CCN(c2cnc3ccccc3n2)CC1)N1CCCC1 26140465 ZBNQBUUMYPILEI-UHFFFAOYSA-N 310.401 2.469 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1/C=C/C=C/[C@@H]2[C@H]2CC[C@@H]21 104146338 ZYBYLKWJSVYPOI-MVNYQDFQSA-N 307.353 2.049 0 40 DEAB Cc1ccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1C 9668970 KWCXHIYKHOZLFX-OAHLLOKOSA-N 323.396 2.368 0 40 DEAB Cc1ccsc1C(=O)OCC(=O)NC(=O)NC1CCCCC1 3335817 AYXMAAKXUYDKMH-UHFFFAOYSA-N 324.402 2.372 0 40 DEAB COc1ccccc1CNC(=O)N1CCCC[C@@H]1CN(C)C 58065499 AHMLBZXNVDNHKO-OAHLLOKOSA-N 305.422 2.321 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCN1Cc2ccccc2C[C@H]1C(N)=O 58147014 VLIGXBQVCUIFNE-FHLIZLRMSA-N 316.445 2.494 0 40 DEAB C[C@@H](COCC(F)(F)F)NC(=O)c1ccc2[nH]cnc2c1 58191865 SOUIZBZCYCLFAB-QMMMGPOBSA-N 301.268 2.260 0 40 DEAB CC(=O)c1ccc(OCC(=O)NCc2nc(C)cs2)cc1 44894960 UGSKPPJCWFSRPI-UHFFFAOYSA-N 304.371 2.349 0 40 DEAB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)CC(C)C 36185436 YHUKWXICWKSDSZ-UHFFFAOYSA-N 320.389 2.291 0 40 DEAB CN1CCO[C@@H](CNC(=O)CCc2ccc3ccccc3c2)C1 58323442 FYQDWBDGDRJRHR-SFHVURJKSA-N 312.413 2.219 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)[C@H](C)CO1 45445734 BHZCSEXKWKQHNK-GHMZBOCLSA-N 320.414 2.370 0 40 DEAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)[C@H](C)CO1 45448571 DBWHSCHEMABEFG-GHMZBOCLSA-N 321.402 2.367 0 40 DEAB O=C(Nc1ccc(SC(F)F)cc1)c1cc(=O)[nH]c(O)n1 8704025 ZCPUCKHMHWYMHE-UHFFFAOYSA-N 313.285 2.043 0 40 DEAB COc1cc(CNC(=O)c2ccc(C(F)(F)F)nc2)ccn1 29197428 WLWIXBNFKFMCFH-UHFFFAOYSA-N 311.263 2.434 0 40 DEAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 3448623 ZWMHABIPGZDGTF-KRWDZBQOSA-N 317.389 2.271 0 40 DEAB COc1ccc(C(=O)CSc2nnc(N)s2)c(OC)c1 3521053 OPRNEWJIKTUMGC-UHFFFAOYSA-N 311.388 2.113 0 40 DEAB CC(C)(CNC(=O)[C@@H]1CCCc2ccccc21)N1CCOCC1 12982272 CBYNTQDXFAUSNY-QGZVFWFLSA-N 316.445 2.334 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)c2ccc(Br)s2)C1 62912755 JHMBUMJAVLMKGR-NSHDSACASA-N 318.192 2.447 0 40 DEAB CCCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 13170727 NWBHXPWLIINQTE-ZDUSSCGKSA-N 321.373 2.177 0 40 DEAB Cc1ccc(C)c(OCCCCC(=O)N2CC[C@@H](C(N)=O)C2)c1 71827056 NPSNFFXTRWHGHZ-OAHLLOKOSA-N 318.417 2.186 0 40 DEAB COc1ccc(CNCCNC(=O)c2cccs2)cc1OC 4498109 DFTFUAZRCCGEOV-UHFFFAOYSA-N 320.414 2.285 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2C2CCCC2)c(=O)[nH]1 65541710 JMJFOSBDSVXZTR-HNNXBMFYSA-N 303.406 2.110 0 40 DEAB Cn1cnnc1C1CCN(C(=O)Cc2ccc3c(c2)CCC3)CC1 65625382 XKONHDYSVXNNPR-UHFFFAOYSA-N 324.428 2.253 0 40 DEAB COc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1F 4846613 HNVLQYZCEMGLIW-UHFFFAOYSA-N 321.329 2.179 0 40 DEAB Cc1ccc(SC[C@@H](O)CCC(=O)N2CCOCC2)cc1 65090606 WNLMVLBBZIPQCP-AWEZNQCLSA-N 309.431 2.087 0 40 DEAB C[C@@H](COc1ccc(F)c(F)c1)NC[C@@H](O)C1CCOCC1 90053816 MACRLGPDAAPLCW-MEDUHNTESA-N 315.360 2.109 0 40 DEAB CCOCCS(=O)(=O)Cc1cc(Cl)c2c(c1)OCCO2 71851526 SRDRTKPKNKCUPA-UHFFFAOYSA-N 320.794 2.063 0 40 DEAB C[S@](=O)c1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1 80126319 SJOIDEYVXBEULI-IVZQSRNASA-N 318.398 2.279 0 40 DEAB Cc1nc(C)c(CC(=O)N[C@H](C)c2ccc(Cl)cc2)c(=O)[nH]1 19937528 FMHJQJWSCXHCRX-SECBINFHSA-N 319.792 2.460 0 40 DEAB CN(Cc1nc(-c2cccnc2)no1)C(=O)Nc1nccs1 83867778 ICQQHCNLUHBGFH-UHFFFAOYSA-N 316.346 2.252 0 40 DEAB CCN(C(=O)CCNC(C)=O)c1nc2c(C)cccc2s1 7778354 WGRCJHPSIBEVGE-UHFFFAOYSA-N 305.403 2.484 0 40 DEAB CC(C)NC(=O)NCc1ccc(C(=O)NCc2ccco2)cc1 7910709 NGQFVKBZFBFAJU-UHFFFAOYSA-N 315.373 2.417 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(C)c(C)c1 8097359 SNAVKLBJGASSEV-AWEZNQCLSA-N 318.417 2.297 0 40 DEAB COc1cccc(NC(=O)N2CCC(C3OCCO3)CC2)c1 69207170 NDENMARCMIYXJX-UHFFFAOYSA-N 306.362 2.312 0 40 DEAB CCOC(=O)CN(CC1CC1)C(=O)CSCc1ccncc1 69520490 FTLJURHQUDIGJI-UHFFFAOYSA-N 322.430 2.117 0 40 DEAB CCOC(=O)N1CCC(C(=O)NCCc2ccc(F)cc2)CC1 9585762 VRDYXUAYNSCBFM-UHFFFAOYSA-N 322.380 2.353 0 40 DEAB Cc1cccc(NCCN(C)S(=O)(=O)c2cccs2)n1 97163384 RTNABTKREXPKRU-UHFFFAOYSA-N 311.432 2.184 0 40 DEAB O=C(C[C@H](O)c1cccc(F)c1)N[C@@H](CO)c1ccccc1 97233080 NUPJVWLYPLNFDU-HOTGVXAUSA-N 303.333 2.099 0 40 DEAB O=C(NCC[C@@H]1CCCO1)c1nc(N2CCCC2)ncc1Cl 84334891 FHKXBHXISJBFRW-NSHDSACASA-N 324.812 2.029 0 40 DEAB CC(C)(CCO)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 95451246 DMISVVPNNXEMRK-UHFFFAOYSA-N 307.781 2.417 0 40 DEAB Cc1nccn1-c1ccc(CNC(=O)NCC(F)F)cc1F 73873385 UNJSXMZEMGRPPL-UHFFFAOYSA-N 312.295 2.384 0 40 DEAB CC(C)(C)OCCN1C(=O)N[C@]2(CC(C)(C)OC2(C)C)C1=O 95967126 OQWMBPZIQLJURL-MRXNPFEDSA-N 312.410 2.070 0 40 DEAB Cn1ccc(C(=O)N2CCC(COC3CCCC3)CC2)cc1=O 95949496 XPYULLLTXYAYBX-UHFFFAOYSA-N 318.417 2.197 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)[C@@H](C)CO)nn1-c1cccc(F)c1 95989145 REIAZTMEUKCCDK-JQWIXIFHSA-N 320.368 2.458 0 40 DEAB Cc1noc(C)c1CCN1C(=O)N[C@@](C)(c2ccccc2)C1=O 89529228 QKEAPMRLQRAIEW-KRWDZBQOSA-N 313.357 2.301 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cn2cccnc2n1 75130418 IAGFULFTIUKVAB-CQSZACIVSA-N 324.388 2.057 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)COc2cccc(F)c2)c(=O)[nH]1 75121856 HCWYMSRGNKHEGV-NSHDSACASA-N 304.321 2.020 0 40 DEAB C[C@@](O)(CC(=O)NCCc1nc(C(F)(F)F)cs1)C1CC1 89894536 RFNFHCIQKMINJY-GFCCVEGCSA-N 322.352 2.372 0 40 DEAB c1ccc(-n2nnnc2N[C@H]2CCO[C@]3(CCSC3)C2)cc1 89857537 QILCRRLFANZQOO-SWLSCSKDSA-N 317.418 2.129 0 40 DEAB COC1(c2ccccc2)CN(C(=O)Cc2n[nH]c3ccccc23)C1 553414797 LQIQJRINSOWJDL-UHFFFAOYSA-N 321.380 2.490 0 40 DEAB CCCCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20491140 CDUOZLNIAHVQNO-UHFFFAOYSA-N 304.799 2.241 0 40 DEAB C[C@H](C(=O)N1CCc2ccccc21)S(=O)(=O)C1CCCC1 76585290 ZCSUQHXTTSBLMX-GFCCVEGCSA-N 307.415 2.322 0 40 DEAB O=C(NC1CCCC1)c1c(-n2cnnn2)sc2c1CCCC2 32104591 XRIPJMNPTJWULK-UHFFFAOYSA-N 317.418 2.275 0 40 DEAB COc1cc2c(cc1OC)CN(c1cc(Cl)nc(N)n1)CC2 32778759 SGOXEHLVIDRXGT-UHFFFAOYSA-N 320.780 2.292 0 40 DEAB O=C(O)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 218449630 BEESZWZTUJDOCM-ZNMIVQPWSA-N 320.341 2.466 0 40 DEAB O=C1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2N1 33946391 OTAZGCVSLJHRPC-UHFFFAOYSA-N 306.318 2.121 0 40 DEAB CCS[C@@H]1CCCCN(C(=O)N[C@@H](C)c2nncn2C)C1 78988913 SNPIAMDLMWJBDO-NWDGAFQWSA-N 311.455 2.193 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 30757106 DHOGJTUTMFDBHP-NWANDNLSSA-N 323.414 2.081 0 40 DEAB CC(C)c1ccoc1C(=O)Nc1cccc(CS(N)(=O)=O)c1 225810097 AYUAHZCTBGDLHT-UHFFFAOYSA-N 322.386 2.444 0 40 DEAB O=C(N[C@@H]1CCC[C@@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O 80028524 KAGSZRWBGGFKSD-ZWNOBZJWSA-N 320.364 2.099 0 40 DEAB CC1(C)Oc2ccc(S(=O)(=O)NC3CCCC3)cc2NC1=O 46089285 WGJLMVFKUKYADL-UHFFFAOYSA-N 324.402 2.017 0 40 DEAB Nc1cc(SCC(=O)O)nc(Cc2ccc(Cl)cc2)n1 49470085 AWDZRKABANNDFP-UHFFFAOYSA-N 309.778 2.480 0 40 DEAB Cn1cnnc1CNC1(c2ccc(OC(F)(F)F)cc2)CC1 571852055 HTGFUYUSIXVIPO-UHFFFAOYSA-N 312.295 2.493 0 40 DEAB Cc1ccc(NC(=O)Nc2c(C(=O)N(C)C)nn(C)c2C)cc1 96182453 QFKIOIFOPVYQSC-UHFFFAOYSA-N 315.377 2.383 0 40 DEAB COCCn1c2c(ccc1=O)C[C@H](NCc1cccs1)CC2 96059344 TVBUZKMAPJIKOT-CQSZACIVSA-N 318.442 2.203 0 40 DEAB Cc1noc([C@@H]2C[C@H]3CN(Cc4scnc4C)C[C@H]3O2)n1 96045805 ZSSLDPIIMSRREC-SDDRHHMPSA-N 306.391 2.105 0 40 DEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccc(C)o2)o1 96114668 VYRMVGMGPSPOAC-LLVKDONJSA-N 322.313 2.088 0 40 DEAB biogenic N#[N+]Nc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cn1 95479528 AHQQBTNOOXDUBG-CQSZACIVSA-O 310.337 2.475 0 40 DEAB C[C@H](NC(=O)N[C@H]1CCN(C)C1=O)c1csc2ccccc12 96415464 RGQILXRYIMZITF-GWCFXTLKSA-N 317.414 2.492 0 40 DEAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)NC(C)C)COC1 96112619 DNBUGOYDSOEYED-LBPRGKRZSA-N 302.378 2.124 0 40 DEAB biogenic,in-vitro Cc1cc(Br)ccc1Cn1cnnc1[S@](C)=O 96496016 ZRYBCQINENDUGM-QGZVFWFLSA-N 314.208 2.135 0 40 DEAB CN(C)[C@@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 96063050 BGKXJFLOZNDYQD-HNNXBMFYSA-N 306.381 2.151 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc3nccnc3c1)CC(=O)O2 95472389 BCSMNBKQLFSQOP-NSHDSACASA-N 307.309 2.068 0 40 DEAB c1cc(N2CCC[C@H](Cc3cncc(-c4ncc[nH]4)n3)C2)ncn1 257303576 SHTTXRDDKQNJJS-CYBMUJFWSA-N 321.388 2.116 0 40 DEAB CCn1cc(CN2CCO[C@H](c3cccc(NC)n3)C2)c(C)n1 257207700 BIVOJLDJCJAGFN-INIZCTEOSA-N 315.421 2.222 0 40 DEAB O=C(COCc1ccccc1)N1CC[C@H](Oc2ccncc2)C1 390829022 WBHAMNLWHRJXSK-KRWDZBQOSA-N 312.369 2.278 0 40 DEAB O=C(N1CC2(C[C@H](OCc3ccncc3)CS2)C1)C1(F)CC1 575405658 ZFEPEDBFURIRSL-ZDUSSCGKSA-N 322.405 2.187 0 40 DEAB CCCn1cc(NC(=O)[C@H]2CCc3nnc(C(F)F)n3C2)cn1 585140879 MDAMYXYYXNTXMJ-VIFPVBQESA-N 324.335 2.023 0 40 DEAB CO[C@@]1(COc2cccc(C)c2)CCN(Cc2cnccn2)C1 585274960 SFCSSGAXWQBZPV-SFHVURJKSA-N 313.401 2.455 0 40 DEAB COC(=O)c1cccc(NC(=O)NCCN2CCCC[C@H]2C)c1 48326455 KNKCSABYIBARJZ-CYBMUJFWSA-N 319.405 2.469 0 40 DEAB COCCN(Cc1ccco1)C[C@H](O)c1ccc2c(c1)OCO2 58305860 OCOWFIXQPSFSPF-HNNXBMFYSA-N 319.357 2.190 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H](c1ccccc1)N1CCCC1 72255115 PYOZJMPLVYQFRS-SJLPKXTDSA-N 324.428 2.151 0 40 DEAB COc1ncccc1NC(=O)N[C@@H]1CCC[C@@H]1n1ccnc1 72305810 NQMCDDPIHPMDGD-YPMHNXCESA-N 301.350 2.202 0 40 DEAB C[C@@H]1CN(C)CCN1CC1CCN(C(=O)CC2CCCC2)CC1 85468101 ANWKGKXDMDSXKG-MRXNPFEDSA-N 321.509 2.441 0 40 DEAB CCCCS(=O)(=O)NCc1nccn1Cc1ccccc1 95461760 BIJXMURHCKTLTK-UHFFFAOYSA-N 307.419 2.151 0 40 DEAB O=S(=O)(Cc1ccccc1)N(CCO)Cc1ccsc1 95960798 HCPKDYNGEATORN-UHFFFAOYSA-N 311.428 2.072 0 40 DEAB O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)N1CCOCC1 342177 AIYNFUFJDLLNBI-LGMDPLHJSA-N 312.413 2.345 0 40 DEAB CC(=O)Nc1cc(Br)c2nc(NN)sc2c1 226309118 LOCGTEABJLHUTA-UHFFFAOYSA-N 301.169 2.303 0 40 DEAB Cc1ccc(NC(=O)CSc2nccc(=O)[nH]2)cc1Cl 6309422 JLVAOSWICBMOKS-UHFFFAOYSA-N 309.778 2.463 0 40 DEAB Cc1ccc(OCCNC(=O)[C@@H]2COc3ccccc3O2)cc1 5814560 TUKVGITWYKHRAE-KRWDZBQOSA-N 313.353 2.330 0 40 DEAB CCS(=O)(=O)N1CCCc2cc(C(=O)NCC(C)C)ccc21 13583945 GUQCRWMGVWRDBW-UHFFFAOYSA-N 324.446 2.175 0 40 DEAB O=C(NCc1cccs1)N1CCn2nc3c(c2C1)CCC3 238880701 PEHFSKSTFYHWKY-UHFFFAOYSA-N 302.403 2.159 0 40 DEAB O=C(Cc1ccccc1Cl)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 240002230 PPSJJEYEQPUWQV-BPLDGKMQSA-N 309.793 2.335 0 40 DEAB CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1 2640812 PGXHAGSSHCOIPG-UHFFFAOYSA-N 305.286 2.217 0 40 DEAB c1nc(N[C@@H]2CCN(C3CCOCC3)C2)cc(C2CCC2)n1 1889064748 YASIDBUXIYRAPC-CQSZACIVSA-N 302.422 2.409 0 40 DEAB Cc1ccsc1CCC(=O)N1CCN(c2cnsn2)CC1 1889128414 FYHATIHHDHCFFT-UHFFFAOYSA-N 322.459 2.189 0 40 DEAB COc1cccc(CNC(=O)c2ccccc2S(C)(=O)=O)c1 23687826 XMLQNTSHRYKNJW-UHFFFAOYSA-N 319.382 2.029 0 40 DEAB C[C@@H](c1ccc(F)cc1)N(C)CCN1C(=O)NC(C)(C)C1=O 26910278 YQBTZNYKRPKOIR-NSHDSACASA-N 307.369 2.149 0 40 DEAB Cc1cc([C@@H](O)CCNc2ncnc3c2ncn3C)c(C)o1 1776001390 QDKGZNRUMXUNTB-LBPRGKRZSA-N 301.350 2.109 0 40 DEAB CCOC(=O)[C@](NC(C)=O)(Nc1ccccc1)C(F)(F)F 3137996 ZURYAGZNOOGKKS-LBPRGKRZSA-N 304.268 2.056 0 40 DEAB COC(=O)CSc1ccc2nnc(-c3cccs3)n2n1 4326813 JPKQBMPEJKUORJ-UHFFFAOYSA-N 306.372 2.118 0 40 DEAB CCn1nnc2c(=O)n(Cc3cccc4ccccc34)cnc21 13531629 XSIXAPUDFVOXOE-UHFFFAOYSA-N 305.341 2.209 0 40 DEAB O=C(Cc1cccs1)NCc1nccnc1-c1cccnc1 585150336 ACWMXKHQKSGEOX-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB Cc1cc(OC2CN(C(=O)Nc3cccs3)C2)cc(=O)o1 585325891 NDWMSHVTTMNXEQ-UHFFFAOYSA-N 306.343 2.305 0 40 DEAB O=C1c2ccccc2S(=O)(=O)N1[C@@H]1CCOc2ccccc21 40496860 NMPBYCKJPGYJSY-CYBMUJFWSA-N 315.350 2.355 0 40 DEAB O=c1c2sccc2ncn1Cc1noc(-c2ccco2)n1 31789164 RVEGKWBWEAJSBW-UHFFFAOYSA-N 300.299 2.149 0 40 DEAB Cc1nc2nc(SCC(=O)NCCC(C)C)nn2c(C)c1C 40539722 VVTFSVBFROPKGC-UHFFFAOYSA-N 321.450 2.304 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1cnccn1)c1ccsc1 31987651 BVBSBKHTFYLDOI-CQSZACIVSA-N 304.419 2.351 0 40 DEAB Nc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)s1 395806 ZJNLRSFMEHTCBM-UHFFFAOYSA-N 302.331 2.129 0 40 DEAB CCOc1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 2658211 QJBHLQJDLNPTCE-UHFFFAOYSA-N 311.345 2.392 0 40 DEAB CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 3374684 MJDDNPKZZMWMRV-UHFFFAOYSA-N 311.403 2.295 0 40 DEAB CCCn1nnnc1CN1CCC(c2ccc(O)cc2)CC1 32891643 GWACOKHHIBDDMX-UHFFFAOYSA-N 301.394 2.168 0 40 DEAB Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NC(N)=O)c(C)c1 6965006 NUBWKRZXVVQICC-LCYFTJDESA-N 308.341 2.196 0 40 DEAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc2c(c1)CCCC2 97002304 HOOQIFOXNNKVCZ-QWHCGFSZSA-N 321.442 2.213 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CCCO2)cc1N1CCCCC1=O 75940195 DVVDFVWLZRYSAO-HNNXBMFYSA-N 318.373 2.330 0 40 DEAB CC(=O)c1ccc(OCC(=O)Oc2c(C)nn(C)c2C)cc1 76023038 OEPSCNVIVIKIHE-UHFFFAOYSA-N 302.330 2.224 0 40 DEAB COc1cccc(OC)c1[C@@H]1NC(N)=Nc2nc3ccccc3n21 3178882 VEURHTADPABNCE-OAHLLOKOSA-N 323.356 2.150 0 40 DEAB COC(=O)[C@@H]1CCCCN1S(=O)(=O)/C=C/c1ccccc1 53699413 JHYROGAWOIRCNW-WONIAPNHSA-N 309.387 2.015 0 40 DEAB CN(C)[C@H](CNC(=O)c1ccc[nH]c1=O)c1ccccc1Cl 22869944 FBKMLFVLRGSOHS-CQSZACIVSA-N 319.792 2.061 0 40 DEAB Cc1cc(C)c(NC(=O)CNC(=O)NC[C@H]2CCCO2)c(C)c1 54027889 TXKWFCZZIRCNRR-CQSZACIVSA-N 319.405 2.029 0 40 DEAB O=C(NCCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccco1 24183236 TUMYQTYLRBCSCC-JTQLQIEISA-N 318.295 2.200 0 40 DEAB O=C(COC[C@@H]1CCCO1)N[C@H]1CCC[C@@H]1Oc1ccccc1 71903224 IYIRXFUJBIMWRG-ULQDDVLXSA-N 319.401 2.298 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 24477614 CGPLSGWHQSBCQN-AWEZNQCLSA-N 305.765 2.036 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)Nc1cnn(C[C@H]2CCCO2)c1 43271185 NLTJZGBXQDLKPO-XJKSGUPXSA-N 315.373 2.468 0 40 DEAB CC[C@H](N[C@@H](C)[C@H](C)n1cccn1)C(=O)Nc1cc(C)on1 106668553 SREOEYSOSYDTQA-AVGNSLFASA-N 305.382 2.136 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)cc1 25172445 ACAYRLDDIWHYBA-UHFFFAOYSA-N 320.352 2.283 0 40 DEAB CCO[C@H]1CCCN(C(=O)Nc2cnn(CC(F)F)c2)C1 71921436 VTMGDPAXDQJCOY-NSHDSACASA-N 302.325 2.181 0 40 DEAB CC(C)[C@](N)(CC[P@](=O)(O)CCc1ccccc1)C(=O)O 1762446 GABJTPSVZVMCCK-OAHLLOKOSA-N 313.334 2.328 0 40 DEAB biogenic O=Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 3386371 FOYDEGGUJFPFHT-UHFFFAOYSA-N 301.273 2.434 0 40 DEAB CO[C@@H]1[C@H](C)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1(C)C 108376001 VHVFSAWCQVUQKJ-BIGNPOOSSA-N 316.405 2.066 0 40 DEAB CCCCNC(=O)Cn1c(-c2ccccc2)nc(CC)cc1=O 57527036 IKPCNBOKFRTGBX-UHFFFAOYSA-N 313.401 2.389 0 40 DEAB CC(=O)NCCNC(=O)c1cccc(OCc2ccccc2)c1 3372549 PTAUUYWGXDGDQE-UHFFFAOYSA-N 312.369 2.132 0 40 DEAB C[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)[C@H]1CCCO1 27859068 QOTVDPNAFCGHIP-TZMCWYRMSA-N 318.373 2.058 0 40 DEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccsc1 8726468 RGACTMHJMXZRHY-UHFFFAOYSA-N 319.338 2.330 0 40 DEAB O=C(CNC(=O)c1ccco1)Nc1ccc(OC(F)F)cc1 3476684 CWPNZVSBFSGTNE-UHFFFAOYSA-N 310.256 2.250 0 40 DEAB O=C1C(=O)N(CC(=O)N2CCCc3ccccc32)c2ccccc21 408546325 GRPVPNOEOPBRMG-UHFFFAOYSA-N 320.348 2.195 0 40 DEAB CC(C)CN(CC(C)C)C(=O)CSc1nnc(N)s1 3513054 WDYPTQXVBWGGLP-UHFFFAOYSA-N 302.469 2.353 0 40 DEAB CC(C)(CNC(=O)N1CCOC[C@@H]1C1CC1)c1ccncc1 92363298 ICHCYCWFLWYUIG-OAHLLOKOSA-N 303.406 2.180 0 40 DEAB COc1cc(C)cc2oc(=O)c(CC(=O)NC(C)C)c(C)c12 4089975 GTGABLMUNGSTDS-UHFFFAOYSA-N 303.358 2.486 0 40 DEAB biogenic CSC[C@H]1CCN(CCC(=O)Nc2cc(N)ccc2F)C1 83990580 LADMLIXTCCCBKU-NSHDSACASA-N 311.426 2.421 0 40 DEAB COc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 5120144 BDVWCPWZNSMART-LBPRGKRZSA-N 306.387 2.262 0 40 DEAB CCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1 9087686 QIFXARBSCYEPAY-UHFFFAOYSA-N 307.375 2.495 0 40 DEAB CCOC(=O)NCCNC(=O)CCSc1ccccc1F 65591096 QEWGLYKRLUGLAN-UHFFFAOYSA-N 314.382 2.170 0 40 DEAB COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@@H](CO)C1 80471389 JUVIULQPNCFCIW-VXGBXAGGSA-N 310.369 2.309 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)no1 67887747 KPTXDPMPWBDGJV-LLVKDONJSA-N 320.418 2.346 0 40 DEAB Cc1ccsc1[C@@H](C)NC[C@H]1CCCN1S(C)(=O)=O 90799388 URTDIOLJLSMWCN-VXGBXAGGSA-N 302.465 2.131 0 40 DEAB O=C(CCc1ccccn1)NCCN1CCc2sccc2C1 68790276 PCUCPUMXPYEOGY-UHFFFAOYSA-N 315.442 2.250 0 40 DEAB CN(CCCNc1ccccc1)C(=O)NCCCn1ccnc1 69349103 RKLRHSXVYGDBQS-UHFFFAOYSA-N 315.421 2.417 0 40 DEAB CC(C)COC(=O)N1CCCN(c2ccc3nccn3n2)CC1 91477940 LHJMAHBGBNRVGV-UHFFFAOYSA-N 317.393 2.034 0 40 DEAB Cc1oc(-c2ccsc2)nc1C[S@@](=O)CC(=O)NC1CC1 84056853 ZTLVKOAXWLQJRD-NRFANRHFSA-N 324.427 2.239 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 69420459 SDOZBHKDGQWZOB-UKRRQHHQSA-N 302.374 2.243 0 40 DEAB CN(C)C(=O)c1cccc(CN2CCC[C@H]2c2cnn(C)c2)c1 71797145 IISZGUJEGFMERV-KRWDZBQOSA-N 312.417 2.459 0 40 DEAB CN(Cc1cccs1)C(=O)NCCNC(=O)OC(C)(C)C 69652021 GXNIFRJYVLYUCZ-UHFFFAOYSA-N 313.423 2.414 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3ccsc3)CC2)oc1C 71824762 GEEHHLAUGZFSJG-UHFFFAOYSA-N 305.403 2.311 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cc(F)ccc1F 71823463 SXHLOFOGXFLDKX-STBQQDIQSA-N 308.328 2.090 0 40 DEAB Cc1nn(C)c(C)c1C(=O)C(=O)N1C[C@H](C)Cc2ccccc21 71847693 COCQWJRTGKKTNZ-LLVKDONJSA-N 311.385 2.445 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCC(C)(C)N1CCC[C@@H](C)C1 72313347 UHFMLNNOFPKANV-GFCCVEGCSA-N 306.454 2.277 0 40 DEAB COc1ccc2cc(C(=O)N(C)C[C@@H](O)C3CC3)c(C)nc2c1 87559012 FBARAKUQDUKCTJ-QGZVFWFLSA-N 314.385 2.395 0 40 DEAB Cc1nc(CN2CCC(C(=O)Nc3cn[nH]c3)CC2)cs1 170694130 CENMMIAUOUXCAS-UHFFFAOYSA-N 305.407 2.025 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)Oc3cccnc3)C2)n[nH]1 78902563 AFSANXJDXAYMTP-ZIAGYGMSSA-N 314.389 2.287 0 40 DEAB S=C(NC[C@@H]1CCCO1)N1CCO[C@H](c2ccccc2)C1 84525601 OIEXUTLGSIPKGC-GJZGRUSLSA-N 306.431 2.113 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(C)c(C)o1)CC2 95425828 KUQSCLSTGNZPHX-LSDHHAIUSA-N 307.390 2.289 0 40 DEAB Cc1cc([C@H](C)NC(=O)NCCC(=O)N(C)C)cc(C)c1F 73743031 XGFDBOMTHRJWRQ-LBPRGKRZSA-N 309.385 2.281 0 40 DEAB COC[C@@H]1CCCN(C(=O)NCc2nccn2CC(C)C)C1 74534365 REGHTGZCYKSMFE-CQSZACIVSA-N 308.426 2.107 0 40 DEAB Cc1oc(C(=O)NC2CCCCCCC2)cc1S(N)(=O)=O 75110344 PPHFKVRRQFYXLO-UHFFFAOYSA-N 314.407 2.078 0 40 DEAB N[C@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1 75126111 RHECJAKPBZUWCI-NSHDSACASA-N 311.263 2.032 0 40 DEAB O=C(NCc1ccc(=O)[nH]c1)[C@H]1C[C@@]12CCCc1ccccc12 89858209 OFBMCNBTSHBKGQ-VQIMIIECSA-N 308.381 2.285 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1C[C@H]2CC[C@@H]1C2 27134862 LELCHDVQNTWSON-GUTXKFCHSA-N 301.390 2.293 0 40 DEAB O=C(N[C@@H]1CCCc2nc(-c3ccccn3)ncc21)[C@H]1CCCO1 71195928 KFFGESYDDOUNOH-GDBMZVCRSA-N 324.384 2.211 0 40 DEAB O=C(O)COC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79390218 ZPKYCQCWJZNSGF-CQSZACIVSA-N 307.346 2.136 0 40 DEAB CN1N=C(C(=O)N2CCC(Cc3ccccc3)CC2)CCC1=O 31335169 BIEKNMXNPVVSJH-UHFFFAOYSA-N 313.401 2.076 0 40 DEAB Cc1nc(NC(=O)Cc2ccc(F)cc2)sc1C(=O)N(C)C 32610439 UDQCJTNIVVZRSI-UHFFFAOYSA-N 321.377 2.474 0 40 DEAB Cc1nc([C@H]2CCCN(CCc3ccccc3)C2)ncc1C(N)=O 72351991 VWRZMUGFDUKOOL-INIZCTEOSA-N 324.428 2.306 0 40 DEAB COc1ccc2c(c1)cc(C)c1nn(Cc3cccnc3)c(=O)n12 72346988 BBPQIDBNZIZMQX-UHFFFAOYSA-N 320.352 2.410 0 40 DEAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 38718533 IDYHCAKDAAKFCD-UHFFFAOYSA-N 316.760 2.349 0 40 DEAB COc1ccc(CNS(=O)(=O)c2cccc(OC)c2)cc1 74934456 NTDODHLFGWEBOU-UHFFFAOYSA-N 307.371 2.182 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N1CCC2(CCCC2)CC1 86430085 GJCDFJNXIIRGLZ-UHFFFAOYSA-N 317.437 2.133 0 40 DEAB CC(C)[C@@H](CNC(=O)CCc1cccs1)N1CCOCC1 49736264 VQNGBZKRYIEUSQ-OAHLLOKOSA-N 310.463 2.154 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N(C)C[C@H]1Cc2ccccc2CO1 225789698 NKUSWKMVTKXCAM-MRXNPFEDSA-N 313.401 2.250 0 40 DEAB CCn1ccc(NC(=O)C[C@H](CC(=O)O)c2ccccc2)n1 226748816 RNYKYYMMAMIOGR-CYBMUJFWSA-N 301.346 2.490 0 40 DEAB CCCn1c([S@](=O)[C@@H](CC)c2ccc(F)cc2)n[nH]c1=O 83077088 DQGNIPJVQIFWEH-QKVFXAPYSA-N 311.382 2.379 0 40 DEAB CN(CC(=O)NC1CC1)C(=O)c1ccc(-c2ccccc2F)o1 60963197 CPFPZGFDJZEFCM-UHFFFAOYSA-N 316.332 2.436 0 40 DEAB CC(C)C[C@@H](CNC(=O)c1c(Cl)nc2ccccn12)C(=O)O 225551201 OOFVIHZTWVBDLB-JTQLQIEISA-N 323.780 2.464 0 40 DEAB CCCCN1N[C@@](C)(c2ccc(OC)cc2OC)NC1=S 225341524 AGIPOHWFQREQJY-HNNXBMFYSA-N 309.435 2.371 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)CCC(=O)OC(C)(C)C)C2)c1 192391109 JLGQJNNMMWQJMZ-AWEZNQCLSA-N 321.421 2.477 0 40 DEAB Cc1ccc(N(C(C)C)S(=O)(=O)[C@@H](C)C(=O)N(C)C)cc1 193911516 VDQFVZHSYBYXRK-ZDUSSCGKSA-N 312.435 2.016 0 40 DEAB CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)CCCNC(=O)C1CC1 96411305 FUEDOBSMQMDLNW-ZBFHGGJFSA-N 324.465 2.250 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2cccc(Cl)c2F)CC1 92015482 CWRKMLNPDCFYJT-CQSZACIVSA-N 315.772 2.225 0 40 DEAB CC(C)n1cnc(S(=O)(=O)Nc2cccc3[nH]ncc23)c1 96484005 PKBYJUGEQRWLMO-UHFFFAOYSA-N 305.363 2.141 0 40 DEAB CCc1cccc2c1N(C(=O)CC1(CS(C)(=O)=O)CC1)CC2 95405993 QBAANKNEEMFCOG-UHFFFAOYSA-N 321.442 2.353 0 40 DEAB O[C@@H](CN1CCc2ccccc2C1)Cn1cc(-n2cccc2)cn1 95438862 FJGDAYZOLTXABN-IBGZPJMESA-N 322.412 2.093 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)Cc3ccncc3)C2)C1 96222102 QRYGFMPGHZFOLB-WMZOPIPTSA-N 318.417 2.058 0 40 DEAB CN(C)C(=O)NC[C@@H]1CC12CCN(Cc1nccs1)CC2 96238292 PKCRRNLTTGIYKR-LBPRGKRZSA-N 308.451 2.016 0 40 DEAB C1CC(N2CC[C@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)CCO1 96070682 RWURHEYDIIMMSX-AEGPPILISA-N 319.405 2.278 0 40 DEAB O=C(/C=C/c1ccco1)N[C@@H](Cn1nccn1)c1ccccc1 253399418 JDJIINSSZVTQGK-FDMDGMSGSA-N 308.341 2.442 0 40 DEAB NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2cccnc2)s1 257307604 SZKXPVPECSXRSU-LLVKDONJSA-N 316.386 2.004 0 40 DEAB CCNC(=O)[C@@H]1CCC(=O)N(CCOC)[C@H]1c1ccccc1C 257225755 FHQVIVGBSXONOM-WBVHZDCISA-N 318.417 2.057 0 40 DEAB Cc1ccccc1[C@H]1CN(CCC(F)(F)F)[C@H](CO)[C@@H]1O 585295383 XKEKNLIAZJAVSL-MGPQQGTHSA-N 303.324 2.068 0 40 DEAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ccc(C)c(F)c2)C1 585278517 UEGITDNSYROBDJ-KRWDZBQOSA-N 322.380 2.021 0 40 DEAB C[C@H](c1cccnc1)N(C)C(=O)c1ccnc(-n2ccnc2)c1 58356711 INWZJIHCUMIECA-CYBMUJFWSA-N 307.357 2.496 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC[C@H]1CNc2ccnn2C1 58357825 ATYXUILTVHSJCF-NEPJUHHUSA-N 304.369 2.423 0 40 DEAB CC(C)(C(=O)N1CCC[C@H](n2cncn2)C1)c1cccs1 72285998 YMLUKVYUSPWXLK-LBPRGKRZSA-N 304.419 2.481 0 40 DEAB CC(C)c1ccc(OCC(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 75161390 NXDAWYWYVIWSIJ-AWEZNQCLSA-N 316.401 2.068 0 40 DEAB C[C@@H](NCc1cccc2c1OCCO2)c1nnc2n1CCCC2 84668004 WXTLXQBMYDGLGC-GFCCVEGCSA-N 314.389 2.236 0 40 DEAB O=C([C@H]1CCOC1)N1CCC(c2ccc3cccnc3n2)CC1 655267602 SYXGZFHQYRJQHR-HNNXBMFYSA-N 311.385 2.372 0 40 DEAB O=C1CCCc2c1cnc1[nH]n(-c3nc4ccccc4o3)c(=O)c21 13639623 MFQAUBOOQIYRIH-UHFFFAOYSA-N 320.308 2.374 0 40 DEAB CCCc1nn2c(=O)cc(COC(=O)CC(C)C)nc2s1 15734251 FBTKYRMQFOBYCB-UHFFFAOYSA-N 309.391 2.193 0 40 DEAB CC(C)OCCCNC(=O)CC(C)(C)CC(=O)N1CCCC1 19810103 SIZGMIKSIGHMBE-UHFFFAOYSA-N 312.454 2.347 0 40 DEAB CC(=O)NC(=S)Nc1cccc(-c2ccc(C(=O)O)o2)c1 226350608 ZDWWXIYRKMYTCA-UHFFFAOYSA-N 304.327 2.478 0 40 DEAB Cc1nn(CN2CCO[C@@H](C)C2)c(=S)n1-c1ccccc1 12534629 WYCODNPODRCVHT-LBPRGKRZSA-N 304.419 2.390 0 40 DEAB COc1ccc(CCN[C@@H](C(N)=O)c2ccccc2)cc1OC 26163419 HLKHITYTLFAIBB-QGZVFWFLSA-N 314.385 2.063 0 40 DEAB O=c1[nH]c2c(-c3nc4ccccc4[nH]3)nnn2c2ccccc12 2087114793 JQDSBTCHSYNSOT-UHFFFAOYSA-N 302.297 2.114 0 40 DEAB COc1ccccc1-n1ccn(Cc2cccc(C)c2)c(=O)c1=O 4569878 DVOYUOJUVNASHS-UHFFFAOYSA-N 322.364 2.365 0 40 DEAB O=C(NCc1nnnn1C1CCCCC1)c1c(F)cccc1F 10594198 MZUDMFFXFLFLOG-UHFFFAOYSA-N 321.331 2.387 0 40 DEAB CC(=O)Nc1nc(CC(=O)NCc2ccc(C)cc2)cs1 17041383 NBKIROJGWIRCBK-UHFFFAOYSA-N 303.387 2.269 0 40 DEAB COc1ccc([C@@H](O)CNC(=O)/C=C/c2ccco2)cc1OC 211086944 QFODUFKSDAJSKK-OWNNVSBGSA-N 317.341 2.160 0 40 DEAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 139868 HJFPAGAJVWXPCR-UHFFFAOYSA-N 318.354 2.241 0 40 DEAB O=C(c1cccc(-n2cccc2)c1)N1CCC2(CC1)OCCO2 31180571 PUKIVFGJJOBZJL-UHFFFAOYSA-N 312.369 2.456 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 31394603 CMCRREQYTPEAQJ-SNVBAGLBSA-N 321.764 2.126 0 40 DEAB COc1ccc(C2=CCN(Cc3nnnn3C3CC3)CC2)cc1 40540713 SCUSCJNPRJVKPA-UHFFFAOYSA-N 311.389 2.306 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3cnc(C)s3)CC2)nn1 69899493 JNOGOHFVLGTXMP-UHFFFAOYSA-N 317.418 2.267 0 40 DEAB CC(C)NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 1366045 DOMSHLGSVUONOZ-UHFFFAOYSA-N 301.375 2.123 0 40 DEAB COc1ccc(F)cc1CSCCCN1C(=O)CNC1=O 69968306 DYJGERVTZCOTHK-UHFFFAOYSA-N 312.366 2.009 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2)C1 32934329 VKMUETCDLIBKPO-HIFRSBDPSA-N 319.380 2.280 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccn(-c2ccccc2)n1 32914061 KQMAWBJWHXOKPJ-UHFFFAOYSA-N 319.324 2.294 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2c(N)cccc2C(=O)O)CC1 6733570 CHBKMODFHYFFOC-UHFFFAOYSA-N 321.377 2.024 0 40 DEAB Cc1cc(C)c(NC(=O)CN(C)S(=O)(=O)C(F)F)c(C)c1 32911836 XNIQWKQVIWGHDX-UHFFFAOYSA-N 320.361 2.035 0 40 DEAB COC(=O)N[C@@]12C[C@H]3C[C@@H]([C@@H](C)O1)[C@H]2N(Cc1ccccc1)C3 104202843 WJYYMZCCCGIGPC-NDOBWRGRSA-N 316.401 2.368 0 40 DEAB CCONC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 21904049 JORIATBALOYYRB-UHFFFAOYSA-N 304.346 2.481 0 40 DEAB CCCC(=O)N1CCN(c2ccc(NC(=O)CC)cc2)CC1 558355 PDQWLMQFSUSLBY-UHFFFAOYSA-N 303.406 2.484 0 40 DEAB Cc1cnc([C@@H](C)NC(=O)Nc2cncnc2N(C)C)s1 97083099 BMGYUPCUTBPRSJ-SECBINFHSA-N 306.395 2.190 0 40 DEAB COC(=O)CN1CCC(Nc2cccc(Cl)c2OC)CC1 97085084 BWYMZTNHIZKZFQ-UHFFFAOYSA-N 312.797 2.398 0 40 DEAB CCc1nn(C)cc1CNc1cccc(S(=O)(=O)CC)c1 97051046 JTUZSSUREKLAFS-UHFFFAOYSA-N 307.419 2.388 0 40 DEAB CCc1n[nH]c(SCc2nc3c(C)cccc3c(=O)[nH]2)n1 22284500 QWQAXHRIUIIVQI-UHFFFAOYSA-N 301.375 2.204 0 40 DEAB CC1(C)[C@H](NC[C@]2(O)CCOC2)C[C@H]1OCc1ccccc1 97036993 NAKIHMOHGQIKJI-JFIYKMOQSA-N 305.418 2.111 0 40 DEAB CCOC(=O)c1sc(NC(=O)Cc2ccn(C)n2)cc1C 97082297 JGMQPYUBMRDPGH-UHFFFAOYSA-N 307.375 2.148 0 40 DEAB Cn1cc(CNC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cn1 2804161 JYNRWFSVCRZTMP-LBPRGKRZSA-N 316.405 2.489 0 40 DEAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CCc2sccc2C1 24014239 WABPTFOVNYWVOP-AWEZNQCLSA-N 315.398 2.042 0 40 DEAB Cc1nc2sccn2c1[C@H]1NC(N)=Nc2nc3ccccc3n21 12547660 RDVMKCGSIBNJAN-LBPRGKRZSA-N 323.385 2.150 0 40 DEAB COc1ccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)cn1 72277023 DMZIFFUBWLQTIC-JTQLQIEISA-N 306.343 2.098 0 40 DEAB Cc1ccccc1[C@@H]1CCCN1C(=O)CCN1C(=O)CCC1=O 55780521 CSYSQDCEEKHFKU-HNNXBMFYSA-N 314.385 2.198 0 40 DEAB Cn1cc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)cn1 25308016 GZBBETOPPQTFDM-UHFFFAOYSA-N 307.357 2.347 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCCCCC1 25408249 ACYVSMQHZMQFBA-ZDUSSCGKSA-N 324.446 2.293 0 40 DEAB CC1CCC(N(C)C(=O)Cn2cnc3ccsc3c2=O)CC1 26019688 UAOCZLPHLITQOA-UHFFFAOYSA-N 319.430 2.495 0 40 DEAB Cc1cccc(OCCC(=O)NCCNc2ncccn2)c1C 57060748 IYVPOHIHAGZUNL-UHFFFAOYSA-N 314.389 2.091 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108374856 UUCDQAJEMLPILV-AAVRWANBSA-N 304.394 2.193 0 40 DEAB CCOc1cccc(CNC(=O)C[S@](=O)C2CCCC2)c1 95417735 ZAARBIZLUPCVLP-OAQYLSRUSA-N 309.431 2.393 0 40 DEAB CC(C)[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)N(C)C 57810919 PVOJCPPVKYCPBN-CYBMUJFWSA-N 319.430 2.138 0 40 DEAB COc1ccc(C(=O)[C@@H](C)Sc2nncn2C)cc1OC 58277528 JEFKCJNKQVEUAF-SECBINFHSA-N 307.375 2.196 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)Cc2csc(-c3cccs3)n2)C1 62117982 NTSZMGAPEHVDGB-SECBINFHSA-N 322.411 2.347 0 40 DEAB CC[C@@H]1CN(C(=O)c2cc3cc(OC)cc(OC)c3[nH]2)CCO1 44918546 XLUXSLFANMPGNZ-GFCCVEGCSA-N 318.373 2.436 0 40 DEAB CSc1nc(C)c(CCC(=O)Nc2c[nH]ccc2=O)c(C)n1 44972915 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C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 70173589 VGWDWRJGCNZLNI-UWVGGRQHSA-N 320.817 2.227 0 40 DEAB FC(F)(F)c1ccnc(N2CCCC[C@@H]2Cn2cncn2)n1 69528994 XUZFMGZSZKPAOE-SNVBAGLBSA-N 312.299 2.146 0 40 DEAB Cc1cnc(C(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cn1 91761611 ZLSGCYIYOGRJML-XHDPSFHLSA-N 319.311 2.011 0 40 DEAB Cc1csc([C@H](NC(=O)NCc2c[nH]nc2C)C2CC2)n1 97373458 YMUUUDWFNQRZHX-GFCCVEGCSA-N 305.407 2.434 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)c1cnn(-c2ccccc2)c1C 78976401 BGGWJPRNFZHZHO-UHFFFAOYSA-N 322.368 2.440 0 40 DEAB C[C@@H]1CN(Cc2cccc(Cl)c2Cl)C[C@H](C(N)=O)O1 92008108 LENOCQZDFJDMEZ-LDYMZIIASA-N 303.189 2.068 0 40 DEAB O=C(CCn1cncn1)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 95396737 OFNBVUISECRLPW-CVEARBPZSA-N 314.389 2.175 0 40 DEAB Cc1ccccc1[C@@H]1CCN(C(=O)CCNC(=O)[C@H]2C[C@@H]2C)C1 71853473 XHFSBVHVZUGTHI-UXLLHSPISA-N 314.429 2.473 0 40 DEAB CC(C)(C)c1nc(CNC[C@H]2CN(C3CC3)CCO2)cs1 71880866 GNJCSMZXKYRIQZ-AWEZNQCLSA-N 309.479 2.393 0 40 DEAB CN(Cc1nnc(C2CC2)n1C)C(=O)[C@H]1C[C@@H]1c1ccccc1 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Cn1c(C2CC2)nc2cc(NC[C@H](O)Cn3cccn3)ccc21 566128846 MSSGIRUGQIBZFS-AWEZNQCLSA-N 311.389 2.120 0 40 DEAB Cc1ccc(C(=O)NCCCn2ncc3c2c(C)nn3C)cc1 72240919 SZRGLGYJXQTZFJ-UHFFFAOYSA-N 311.389 2.207 0 40 DEAB Cc1nc(NCc2ccc(F)cc2)cc([C@H]2COCCN2)n1 72366358 HFCXMDUQYVPHHI-OAHLLOKOSA-N 302.353 2.197 0 40 DEAB COC(=O)[C@@H](c1ccccc1F)N1CC[C@H](N2CCCC2)C1 72601175 QYLZGMZFXOTLLI-XJKSGUPXSA-N 306.381 2.210 0 40 DEAB CCOC1CCN(C(=O)NCCSC(F)(F)F)CC1 60624161 VRHCXLUDPNJTEN-UHFFFAOYSA-N 300.346 2.450 0 40 DEAB CCN(Cc1cccc(F)c1)S(=O)(=O)[C@@H]1CCO[C@@H]1C 135499787 VRSYQROCHOHHMC-BXUZGUMPSA-N 301.383 2.155 0 40 DEAB CCCNC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 43467214 AILKNBJEHQEKCC-UHFFFAOYSA-N 313.423 2.249 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 226629294 OBGUHHIBCDQXFQ-LXYWZBBSSA-N 323.348 2.031 0 40 DEAB Cc1ccc(O[C@H]2CCCN(C(=O)/C=C/c3ccco3)C2)nn1 225459650 YTXMWXAPKFDTSA-HEWZJLJBSA-N 313.357 2.461 0 40 DEAB COc1ccc2onc(CC(=O)N(C)CC[C@H]3CCCO3)c2c1 569556546 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Cc1cn[nH]c1C[C@H]1CCCN(S(=O)(=O)C2CCCC2)C1 257326338 WWVYARQBATWCSD-CYBMUJFWSA-N 311.451 2.245 0 40 DEAB CCCCc1nc(CN2CCO[C@H](c3nc(C)c[nH]3)C2)c[nH]1 257227978 FRVWMLGIBZHXBM-AWEZNQCLSA-N 303.410 2.357 0 40 DEAB c1cnc(N2CCC[C@H]2c2nccnc2Nc2cnccn2)nc1 257281267 OOJHHPWUGFXOPO-LBPRGKRZSA-N 320.360 2.142 0 40 DEAB Cc1c[nH]nc1[C@H]1CCCCN1C(=O)Cc1c(C)n[nH]c1C 257262642 LMFBHWVSCKWMMN-CQSZACIVSA-N 301.394 2.354 0 40 DEAB COCc1nnc2n1CCN(C(=O)CC1=CCCCC1)[C@H](C)C2 585098288 TUBPQMOJVWGYOM-CYBMUJFWSA-N 318.421 2.088 0 40 DEAB Cc1nc(CN2C[C@H]3CN(C(=O)C4CC(C)C4)C[C@H]3C2)cs1 585107584 JGTXVTWHKWXMOM-HUOOROGZSA-N 319.474 2.388 0 40 DEAB CCS(=O)(=O)NCc1ccc(-n2cnc3ccccc32)cc1 58208725 MSLRAYGCMGRJIK-UHFFFAOYSA-N 315.398 2.465 0 40 DEAB NC(=O)CC1CCN(C(=O)NCCCc2cccc(F)c2)CC1 69127105 SHSZPJZSEGILJE-UHFFFAOYSA-N 321.396 2.055 0 40 DEAB O=C(NCc1ccnc(OCC2CC2)c1)[C@H]1Cc2ccccc2O1 67337408 ISLNYSFHXQCJAA-QGZVFWFLSA-N 324.380 2.490 0 40 DEAB CCCN(CCC)C(=O)c1cc(F)ccc1NS(C)(=O)=O 69418987 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O=C(OC[C@H]1[C@H](COC(=O)C2CC2)C1(Cl)Cl)C1CC1 5494798 LXROGSZAJRCUFI-UWVGGRQHSA-N 307.173 2.313 0 40 DEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(F)c(F)c1)CS2 12931515 ITRAWXKGTWKPBT-BXUZGUMPSA-N 312.341 2.357 0 40 DEAB O=C(NC1CCN(c2ncnc3sccc23)CC1)C1CC1 30524950 CXHKNLCHBCWUNR-UHFFFAOYSA-N 302.403 2.186 0 40 DEAB Fc1cnc(N2CCN(c3nc4ccc(F)cc4o3)CC2)nc1 893184375 SPDJLNKEEQNBFA-UHFFFAOYSA-N 317.299 2.223 0 40 DEAB CN1c2ccc(NC(=O)[C@H]3CC=CCC3)cc2N(C)S1(=O)=O 244986056 JDMZNQPNGCPJSB-NSHDSACASA-N 321.402 2.112 0 40 DEAB Oc1cc([C@H]2CCCCN2C2CCOCC2)nc2nccn12 2037845552 AZDHEHGYSWFPPR-CQSZACIVSA-N 302.378 2.141 0 40 DEAB CCn1c(O)nc2c(NCCc3ccc(OC)cc3)ncnc21 2087045664 WFFITXLTVMTASH-UHFFFAOYSA-N 313.361 2.215 0 40 DEAB Cc1cccn2c(=O)c(C(=O)N[C@H](C)c3ccccc3)c(O)nc12 8604701 VAWPOTPBNGEDFQ-GFCCVEGCSA-N 323.352 2.200 0 40 DEAB Cc1cc(NC(=O)C(=O)NCc2ccco2)c2ccccc2n1 10327208 VNJRZRSIDOYSTJ-UHFFFAOYSA-N 309.325 2.391 0 40 DEAB Cc1cc2ncc(NC(=O)c3cc(=O)c4ccccc4o3)cn2n1 206737741 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O=C(CSCC(=O)Nc1ccc(F)cc1)NCc1ccco1 2887346 SEHFTPBZEFVTCH-UHFFFAOYSA-N 322.361 2.407 0 40 DEAB c1ccc(OCCSc2nnnn2C[C@H]2CCCO2)cc1 53022919 KXRCFBRNVCNKQN-CYBMUJFWSA-N 306.391 2.023 0 40 DEAB Cc1csc(NC(=O)c2cc(-n3cnnn3)ccc2Cl)n1 12388850 UQLJINQRSRUHSL-UHFFFAOYSA-N 320.765 2.333 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cn1 47223858 OQCXKJZFNCJWLG-UHFFFAOYSA-N 312.297 2.016 0 40 DEAB CC(C)(C)c1cn2nc(Oc3cncc(C(N)=O)c3)sc2n1 97047888 NVTBZMWBIBTCQE-UHFFFAOYSA-N 317.374 2.375 0 40 DEAB CCc1ccc(-n2nc(C(=O)N3CC[C@@H](N)C3)c3c2CCC3)cc1 97019551 MRCFSIWLVBMAOQ-CQSZACIVSA-N 324.428 2.097 0 40 DEAB COCCNC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 47757103 GHGHGDXREFVPGI-UHFFFAOYSA-N 305.378 2.127 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 24477621 CGPLSGWHQSBCQN-CQSZACIVSA-N 305.765 2.036 0 40 DEAB CCc1csc([C@@H]2CCCN(C(=O)CCn3ccnn3)C2)n1 72282182 FUYAXHQUVOZOBD-GFCCVEGCSA-N 319.434 2.093 0 40 DEAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1nncs1 43128641 IRNWTDIXTSMGGI-SNVBAGLBSA-N 320.374 2.232 0 40 DEAB C[C@@H]1C[C@@H](C)N(C(=O)CN2C(=O)CSc3ccccc32)C1 76019531 XJKJRAIYIPLORF-VXGBXAGGSA-N 304.415 2.382 0 40 DEAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2)n[nH]c1=O 12687965 ZNOXNPKGLKGYOO-SECBINFHSA-N 324.381 2.240 0 40 DEAB CN(Cc1ccc(F)cc1)[C@@H]1CCN(CC(F)(F)F)C1=O 69972232 OHVFVYJDEWGEKJ-GFCCVEGCSA-N 304.287 2.421 0 40 DEAB O=C(Cn1ccccc1=O)N[C@H](c1ccccc1)c1ccccn1 44720849 HNOYGZFWTDPBQN-LJQANCHMSA-N 319.364 2.149 0 40 DEAB COc1ccc(NC(=O)NCCc2ccccc2OC)cn1 10262028 FVJQUHAYYALEGS-UHFFFAOYSA-N 301.346 2.463 0 40 DEAB COCCOc1ccccc1C(=O)NC[C@@H]1CCN(C(C)C)C1 58214697 MBPQOKGELBXDMX-HNNXBMFYSA-N 320.433 2.172 0 40 DEAB CCOc1ccc(CNC(=O)c2cccnc2OC)cc1OC 58775861 DJSWVSMPUMLCAC-UHFFFAOYSA-N 316.357 2.428 0 40 DEAB CCN1CCO[C@H](CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 2351342 HNXZAHUARUDKQH-GFCCVEGCSA-N 314.744 2.055 0 40 DEAB COC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(C)nc1C 72274422 FJSFEYMDSIPPBX-INIZCTEOSA-N 310.353 2.443 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)Cn1cnc2sccc2c1=O 13126030 ZDJYEFKGYOHPHH-PHIMTYICSA-N 305.403 2.248 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1-c1ccc(CN2CCCC2)cc1 13325242 LHCNQJGUQAMDQW-UHFFFAOYSA-N 321.380 2.275 0 40 DEAB Nc1cc(C(=O)N[C@H]2CCCN(CCc3ccccc3)C2)ccn1 19147544 PDERTZSTNWZCNZ-KRWDZBQOSA-N 324.428 2.101 0 40 DEAB CCc1nnnn1-c1ccccc1NC(=O)COc1ccccc1 72288917 DEPNNXUDCNXQMN-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB COc1ccccc1CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 13737115 GKRNGMBBPQXUCW-KGLIPLIRSA-N 303.358 2.021 0 40 DEAB Cc1c(C2N3CC4(C)CN2CC(C)(C3)C4N)c2ccccc2n1C 19331432 CUHPYVYJLCCGIY-UHFFFAOYSA-N 324.472 2.470 0 40 DEAB biogenic COc1cc2c(cc1OC)C1=NC(=O)[C@@H](C(C)C)N1C(=S)N2 5720670 FHBHLESUTOJOLJ-GFCCVEGCSA-N 319.386 2.028 0 40 DEAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)c1ccc(F)c(F)c1 4894145 BEUPCXPQDJPHBK-ZCFIWIBFSA-N 310.329 2.283 0 40 DEAB CCOc1ccc([C@H]2CC(=O)N=C3N=CNN32)c2ccccc12 409379599 YIKOZHIMQBHPFI-CQSZACIVSA-N 308.341 2.414 0 40 DEAB O=S(=O)(Nc1ncn(-c2ccccc2)n1)c1cccc(F)c1 96007309 XMXKAADUPPGLKG-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB CCOC(=O)[C@H]1CCCN(C[C@H](O)COc2ccc(C)cc2)C1 7166308 HEAHKKGIIAKUTB-HOTGVXAUSA-N 321.417 2.010 0 40 DEAB Cc1ccccc1Nc1nc(NCCCO)nc2c1cnn2C 7448571 UGDHAWZTNNGFSZ-UHFFFAOYSA-N 312.377 2.210 0 40 DEAB Cc1noc([C@@H]2COCCN2C(=O)c2cccc3ncccc23)n1 97163975 HLUWKQPZHZFUFY-HNNXBMFYSA-N 324.340 2.140 0 40 DEAB CCN1C(=O)CCc2cc(NC(=O)Nc3cnn(C)c3)ccc21 97136531 HAFIIFGBWSHIDX-UHFFFAOYSA-N 313.361 2.363 0 40 DEAB CCc1nnc(NC(=O)c2cccc(N3CCCC3=O)c2)s1 7921416 GUWBEBCTJODWOC-UHFFFAOYSA-N 316.386 2.480 0 40 DEAB C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)C1 68717009 CDFPBEUWKLZJDI-GHMZBOCLSA-N 322.327 2.408 0 40 DEAB C[C@@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C(C)(C)CO1 91116141 MFMFUAMJKROBIA-GFCCVEGCSA-N 314.385 2.097 0 40 DEAB Cc1n[nH]c(S/C(=C/c2ccc3c(c2)OCO3)C(=O)O)n1 9411668 SSYSATUFBDSWML-VZUCSPMQSA-N 305.315 2.060 0 40 DEAB Cc1cccc(C)c1OCC(=O)N[C@H](C)c1nnc2n1CCC2 69349213 XBXYULJTSGDUFE-CYBMUJFWSA-N 314.389 2.097 0 40 DEAB O=C(NCCNC(=O)c1ccccc1OC(F)F)c1ccco1 25925878 HNAQSZWLANPRQN-UHFFFAOYSA-N 324.283 2.041 0 40 DEAB CCNC(=O)[C@@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 69530365 USFWVMWGEAZAII-MRXNPFEDSA-N 312.417 2.220 0 40 DEAB CNC(=O)c1cccc(CCC(=O)Nc2cnc(C3CC3)nc2)c1 96483617 MNXWJGTZPGGRHN-UHFFFAOYSA-N 324.384 2.285 0 40 DEAB Cc1ccc(N2CC[C@H](NC(=O)c3ccnc(F)c3)C2=O)cc1 96423446 VKTCNILFPUCDTD-AWEZNQCLSA-N 313.332 2.064 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@@H](n3ccnc3)C2)n1 69662380 LPJKUCXKUFCXKK-CYBMUJFWSA-N 317.393 2.015 0 40 DEAB CNc1snc(C)c1C(=O)N[C@@H](C)COCC(F)(F)F 84026762 CDXPKRRYQIJQRQ-LURJTMIESA-N 311.329 2.190 0 40 DEAB C[C@H]1CO[C@H](CO)CN1Cc1cccc(OC(F)(F)F)c1 92042414 HUUUNBRLADRJPD-GWCFXTLKSA-N 305.296 2.167 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cccc2cccnc12 71830159 JETVMDJMYWHNCT-AULVFQMTSA-N 323.396 2.360 0 40 DEAB C[C@H](CC(=O)N(C)CC(N)=O)c1ccc(C(F)(F)F)cc1 71824516 LXGFTGLTTRTBEY-SECBINFHSA-N 302.296 2.143 0 40 DEAB CN(Cc1nnsc1Cl)[C@H]1CCN(c2ccccc2)C1=O 71893027 PXAAYNPPTPCWBY-LBPRGKRZSA-N 322.821 2.429 0 40 DEAB Cc1cccn2c(=O)cc(CN3CCC(c4cn[nH]c4)CC3)nc12 97202880 XVHYVVJNUOTSMW-UHFFFAOYSA-N 323.400 2.106 0 40 DEAB O[C@H]1CCC[C@@H]1NCc1cc(Br)cc2c1OCC2 97377851 LMYUDBMDBBUSOU-STQMWFEESA-N 312.207 2.387 0 40 DEAB C[C@H](Cc1ccc(O)cc1)NS(=O)(=O)Cc1ccccc1 95399828 MHXAMINAWFQFLS-CYBMUJFWSA-N 305.399 2.443 0 40 DEAB Cc1cc(C)c(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c(=O)[nH]1 95438286 JOCGIGGZYKGXIV-GXTWGEPZSA-N 312.369 2.286 0 40 DEAB COc1c(Cl)cccc1NC(=O)NCCc1ccnn1C 95941165 OZMQNUPKQNYRKK-UHFFFAOYSA-N 308.769 2.446 0 40 DEAB CC(C)Cn1ccc2cc(NC(=O)NC(C)(CO)CO)ccc21 95979241 ZYAGFFOROMMHEM-UHFFFAOYSA-N 319.405 2.162 0 40 DEAB CN1CCN(c2cncc(OCc3cccc(Cl)c3)n2)CC1 86171236 DAOAPMJKVUJXID-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB CC(=O)N1CSC[C@H]1C(=O)N1CCc2ccc(F)cc2[C@H]1C 89941489 NJABACYXNUVUFL-BMIGLBTASA-N 322.405 2.193 0 40 DEAB CN(C)c1ncccc1CNC(=S)NCCc1ccccc1 36845876 OYXXQXAOHWJGTB-UHFFFAOYSA-N 314.458 2.354 0 40 DEAB O=C(OCc1ccccc1)N1CCC[C@H](N(CCO)C2CC2)C1 79391742 OISJMILIJKPZRF-KRWDZBQOSA-N 318.417 2.244 0 40 DEAB CCN(CCO)C[C@H]1CCCN1C(=O)OCc1ccccc1 79391673 KEULSGIYHYHLER-MRXNPFEDSA-N 306.406 2.102 0 40 DEAB CN1C(=O)C[C@@H](C(=O)NCC2CCC2)[C@@H]1c1cccc(F)c1 72259868 ZDKLIAHNSOXJNM-ZBFHGGJFSA-N 304.365 2.261 0 40 DEAB CCc1cccc(NC(=O)CN2CC[C@H](c3nc(C)no3)C2)c1 551852269 KPCORVQLPQLFFY-AWEZNQCLSA-N 314.389 2.368 0 40 DEAB O=C(C1CCC1)N1CCC[C@H]1c1ccnc(Nc2cnccn2)n1 72377867 BJPWYFSUKFYDNQ-AWEZNQCLSA-N 324.388 2.474 0 40 DEAB O=C(OC[C@H]1CCCO1)c1cc(Br)ccc1O 39951686 RVMUQKLAZHLONE-SECBINFHSA-N 301.136 2.491 0 40 DEAB CCC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCC 217411550 DYQMBUFOTZQSBR-JTQLQIEISA-N 314.407 2.284 0 40 DEAB CC(C)N1C[C@@H](c2nc(COc3ccccc3)no2)CC1=O 78773730 YZAYNDAFUVCUGP-LBPRGKRZSA-N 301.346 2.373 0 40 DEAB CCO[C@@H](C)c1nc(CN2CCN(C(=O)C3CC3)CC2)cs1 76716440 DYWJPXJIAQAGGW-LBPRGKRZSA-N 323.462 2.295 0 40 DEAB Cn1nc(NC(=O)N2CCc3ccc(O)cc3C2)cc1C1CC1 562098382 XZCOTYLZASSBPD-UHFFFAOYSA-N 312.373 2.593 0 40 DEAB CC(C)c1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c1 77937864 GTSAYVOEUFUZOL-HOCLYGCPSA-N 318.417 2.416 0 40 DEAB CO[C@@H]1CC[C@H](NC(=O)Nc2cnn(Cc3ccccn3)c2)C1 189698573 AOILPNUPNPGYTD-SWLSCSKDSA-N 315.377 2.015 0 40 DEAB Cc1ncc(CNC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)o1 568044129 WQIVSHHJWPTOCJ-OAHLLOKOSA-N 319.336 2.405 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1nccs1)O2 40805204 NHCURXIMZJFKBX-CQSZACIVSA-N 303.343 2.180 0 40 DEAB CCn1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)cn1 41121954 OQVCNPJBUBCHLM-UHFFFAOYSA-N 317.393 2.429 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)COc2cccc(C)c2)C1 40541242 LPABBTHHBZTBAR-CQSZACIVSA-N 320.389 2.111 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 222485597 MZDWTFWXEOQWIQ-RNJOBUHISA-N 307.733 2.241 0 40 DEAB C[C@@H](CNC(=O)N[C@@H](C)c1nncn1C)Sc1ccccc1 80621573 ICWGEUIFUBMJGE-RYUDHWBXSA-N 319.434 2.356 0 40 DEAB C[C@]1(C(=O)NCc2cccnc2)CC(c2cccs2)=NO1 226749687 DZIOYELADWDTSA-OAHLLOKOSA-N 301.371 2.343 0 40 DEAB C[C@H]1CN(CCN(C)C(=O)NCCC2=CCCC2)C[C@@H](C)O1 195045551 UETDJQQNNISOKX-GASCZTMLSA-N 309.454 2.237 0 40 DEAB COCCCNC(=O)CN1CCS[C@@H](C)[C@H]1c1ccccc1 96411490 JVTZJJLQVVHKST-YOEHRIQHSA-N 322.474 2.318 0 40 DEAB c1ccc(CN2C[C@H]3CN(Cc4nccs4)C[C@@H]3C2)nc1 96053789 VLDMOJGVVURWNQ-KBPBESRZSA-N 300.431 2.102 0 40 DEAB CC(C)NC(=O)N1CC[C@]2(CCCN(c3ccccn3)C2)C1 96216808 OSAZQDGYPJAUMQ-KRWDZBQOSA-N 302.422 2.492 0 40 DEAB Cc1ncccc1NC(=O)c1cn(Cc2cccc(F)c2)nn1 96468127 ZFPAZDPRMSPPKW-UHFFFAOYSA-N 311.320 2.421 0 40 DEAB c1cncc(O[C@H]2CN(Cc3ccoc3)[C@@H]3CCCO[C@H]23)c1 96187090 ASROFTVAYQWGAI-IKGGRYGDSA-N 300.358 2.485 0 40 DEAB CCC1(CC)CN([C@H](C)c2nc(C)cc(O)n2)CC[S@@]1=O 248768089 SBDVGJGAZYUHMT-GTJPDFRWSA-N 311.451 2.175 0 40 DEAB Cc1nn(C)c2nc([C@@H]3CCCN(Cc4ncc[nH]4)C3)ccc12 257320160 VVPFGDIHRMDSBD-CYBMUJFWSA-N 310.405 2.379 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCNC[C@@H]1c1ccccc1 257339840 ZDLFXPSYMBCHIV-MRXNPFEDSA-N 308.385 2.141 0 40 DEAB CNc1cc(C)nc([C@H]2CN(C(=O)c3ccccn3)CCO2)c1 257223659 DYIZOPLTPRRUIE-MRXNPFEDSA-N 312.373 2.040 0 40 DEAB Cc1cc(CNC(=O)c2ncccc2-c2cccc(CN)c2)on1 257342473 ZOTYGGIWRLSZEO-UHFFFAOYSA-N 322.368 2.434 0 40 DEAB O=C(CC1CCCC1)NC[C@@]1(O)CCCN(c2ccccn2)C1 257308585 TXHIMIXUXGMGFX-SFHVURJKSA-N 317.433 2.109 0 40 DEAB O=C(N[C@H](Cc1ccncc1)C(=O)O)C1CCC(F)(F)CC1 655597967 XVMDKCKYSMGOKS-GFCCVEGCSA-N 312.316 2.019 0 40 DEAB COCC(=O)N1CCC[C@H]1c1cncc(-c2scnc2C)n1 585261147 RPSFBQUIOGKLDD-ZDUSSCGKSA-N 318.402 2.218 0 40 DEAB Cc1ocnc1C(=O)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 585278308 BSAFLHXSVMASED-HIFRSBDPSA-N 318.348 2.188 0 40 DEAB Cc1ccc(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)cc1 56342624 XTNPLUTVGXKASN-UHFFFAOYSA-N 313.361 2.114 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cnn(-c2ccccc2)c1C 74197409 ZAGNTIYLZUVDKV-INIZCTEOSA-N 312.417 2.395 0 40 DEAB Cn1cc([C@@]2(C)CN(C(=O)Nc3ccccc3F)CCO2)cn1 98019388 XXTCVCUHPMLWNP-MRXNPFEDSA-N 318.352 2.339 0 40 DEAB CC[C@@H]1CCCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 85820286 MDRJNUURNUJDFF-CABCVRRESA-N 302.484 2.170 0 40 DEAB O=C(CCc1ccc(C(F)(F)F)cc1)N1CC(n2nccn2)C1 888107080 KPBOJBYULPNBRE-UHFFFAOYSA-N 324.306 2.313 0 40 DEAB Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cccs2)cc1 265066 KVFYTYCURXDEMT-UHFFFAOYSA-N 311.384 2.336 0 40 DEAB CC(C)C(=O)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 12220002 QUUUDWCDAMTSND-UHFFFAOYSA-N 323.347 2.424 0 40 DEAB Cc1ccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)cc1 15733934 FEJAIPMMUGOAJW-UHFFFAOYSA-N 315.354 2.125 0 40 DEAB COc1ccc([C@H](Cc2ccccc2)NCCNCCO)cc1 19365955 FNQYSEMHLJQCMG-IBGZPJMESA-N 314.429 2.151 0 40 DEAB Cc1cc(CN(C)Cc2cc(=O)n3cc(Cl)ccc3n2)no1 31656372 YVCBQVGNXLSAEQ-UHFFFAOYSA-N 318.764 2.276 0 40 DEAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2cc(O)n(C)n2)cn1 2037835017 RCOOKKFTAMSSPG-CQSZACIVSA-N 300.362 2.197 0 40 DEAB CCS(=O)(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5329014 ZPPLBZPNPAVMQK-UHFFFAOYSA-N 308.403 2.137 0 40 DEAB CSCC[C@@H](O)CNS(=O)(=O)c1c(C)cc(C)cc1C 1775967139 GXJLXVOAELBYFP-CYBMUJFWSA-N 317.476 2.004 0 40 DEAB CCN1CCN(C[C@@H](O)COc2cccc3ccccc23)CC1 23118748 QBQPJOPHNLDCIF-QGZVFWFLSA-N 314.429 2.217 0 40 DEAB CCOc1ncccc1CNC(=O)c1ccc2c(c1)OCCO2 31323788 WXPGHSMIARSTMR-UHFFFAOYSA-N 314.341 2.182 0 40 DEAB O=C(N[C@@H]1CCCCNC1=O)c1cc2cc(Cl)ccc2o1 40521700 KLNIXKVICWIQGW-LLVKDONJSA-N 306.749 2.485 0 40 DEAB O=C(NCc1ccnc(Oc2ccccc2)c1)c1ccc[n+]([O-])c1 40535826 SIWQUHSPUNJQFZ-UHFFFAOYSA-N 321.336 2.437 0 40 DEAB CC(C)CN(CC(N)=O)Cc1coc(-c2cccc(F)c2)n1 46061419 USOKXVIZJGHVEY-UHFFFAOYSA-N 305.353 2.424 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccn1C 2642468 DBNOTJGWLVFEJT-AWEZNQCLSA-N 314.385 2.319 0 40 DEAB CC(=O)NCCCNC(=O)N[C@H]1CC(C)(C)Cc2oc(C)cc21 41187420 WZSAACOYPCTKMB-AWEZNQCLSA-N 321.421 2.427 0 40 DEAB CN(C)c1nccc(NC(=O)C[C@@H]2OCCc3ccccc32)n1 96425312 OPDPYDZQKUVTMN-AWEZNQCLSA-N 312.373 2.185 0 40 DEAB CCOC(=O)[C@@H]1CSCCN1C(=O)/C=C/c1ccccc1F 32902924 HWOGEHSKBBWOKL-NPQIQWPPSA-N 323.389 2.346 0 40 DEAB CCc1cc(S(=O)(=O)n2nnc3ccccc32)ccc1OC 8132591 SHSMRXWCKUXYDE-UHFFFAOYSA-N 317.370 2.239 0 40 DEAB COC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(C(C)C)c1 8480105 BCULVTNUHFPPAG-LLVKDONJSA-N 301.408 2.132 0 40 DEAB CC(C)(CNC(=O)Cc1ccccc1Br)C(=O)O 97018900 BMXPMQXOCZYWFG-UHFFFAOYSA-N 314.179 2.219 0 40 DEAB Cc1c(Br)cnn1CC(=O)N1CCCC[C@@H]1C 2778836 TTWLZAIGKJOIFQ-VIFPVBQESA-N 300.200 2.355 0 40 DEAB Cc1ccoc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 33119574 WGDXQPPYNPTEKG-JTQLQIEISA-N 300.314 2.410 0 40 DEAB Brc1cnn(CC2CCN(Cc3cc[nH]n3)CC2)c1 97084975 AMPIVISAXGCUAU-UHFFFAOYSA-N 324.226 2.281 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)N1C[C@@H](C)O[C@H](C)C1 46826964 SLIOMKLHTOJZGW-CHWSQXEVSA-N 307.394 2.188 0 40 DEAB COc1ccc(CNC(=O)C(=O)NCCC2=CCCCC2)cc1 9913957 MGYSZMTVNWBDNJ-UHFFFAOYSA-N 316.401 2.318 0 40 DEAB Cc1cc(C(=O)OCc2nccn2Cc2ccccc2)cc(=O)[nH]1 97037852 BIPKTJVGZSYZKO-UHFFFAOYSA-N 323.352 2.285 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3ccc(F)cc3F)CC2)no1 61544995 JLPHVHKYPWKVSV-UHFFFAOYSA-N 321.327 2.219 0 40 DEAB CCc1noc(C)c1C(=O)N[C@H]1CCCc2[nH]c(=O)ccc21 43056178 ZEHNXDBPQDQSJK-ZDUSSCGKSA-N 301.346 2.041 0 40 DEAB O=C(Cn1sc2ccccc2c1=O)Nc1ccccc1O 61720208 GHEXUFXSZWBEGE-UHFFFAOYSA-N 300.339 2.407 0 40 DEAB CNC(=O)c1cc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)ccn1 106853405 JCLYSEUSSNNJEC-DYVFJYSZSA-N 311.385 2.408 0 40 DEAB CN(CCNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1 53207091 MYRGLRHUKNDOGU-QGZVFWFLSA-N 312.369 2.079 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1NCc1nc(C2CC2)no1 55830510 DXXWCFUFVXTONC-UHFFFAOYSA-N 307.375 2.271 0 40 DEAB C[C@@H]1CCCCN1C(=O)CN1CCN(CC2CCCC2)CC1 72282574 NWKDOFICEWQDCO-MRXNPFEDSA-N 307.482 2.195 0 40 DEAB O=C([C@@H]1CSc2ccccc21)N1CCC[C@H](n2cncn2)C1 72287882 SAWUVWIBMYRAFH-GXTWGEPZSA-N 314.414 2.331 0 40 DEAB COC(=O)[C@@H]1Cc2ccccc2CN1CC[C@@H]1CCCN1C 108367508 OWQGNCBOFYYBPS-IRXDYDNUSA-N 302.418 2.071 0 40 DEAB O=C(CSCc1ccncc1)Nc1ccc2c(c1)C(=O)NC2 57558438 LYHUHOIIERKJDV-UHFFFAOYSA-N 313.382 2.197 0 40 DEAB CC(C)S(=O)(=O)CC(=O)NCC12CC3CC(CC(C3)C1)C2 54913449 IPLUANAPXNJUCB-UHFFFAOYSA-N 313.463 2.142 0 40 DEAB C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 58161321 XRCICDCEAPASEN-CYBMUJFWSA-N 324.380 2.483 0 40 DEAB C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(C)C)[C@H]1CCCO1 44910397 FLQKMXHWUSFHJS-FPMFFAJLSA-N 311.451 2.218 0 40 DEAB CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)c(C)c1 48108717 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2.358 0 40 DEAB CCc1ccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)s1 69699122 MYERSCKZEVSAJB-UHFFFAOYSA-N 313.382 2.477 0 40 DEAB C[C@H]1CC(=O)NCCN1c1ncc(C(F)(F)F)cc1Cl 71889455 RWPVEIGUWUVMPQ-ZETCQYMHSA-N 307.703 2.469 0 40 DEAB CCCC[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CC1 71831114 ZBUQYLPCRCPESO-CQSZACIVSA-N 303.406 2.062 0 40 DEAB NC(=O)CN1CCN(Cc2sc3ccccc3c2Cl)CC1 78255621 JZIRBJZJKAJROQ-UHFFFAOYSA-N 323.849 2.158 0 40 DEAB COC[C@H](C)S(=O)(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 71910767 BVRUYEBGLRAHKX-QWRGUYRKSA-N 321.389 2.240 0 40 DEAB Cc1cc(NC(=O)[C@@H](NC[C@H]2CCCO2)c2ccccc2)no1 97495052 IOVFYOGHQZNLPJ-ZBFHGGJFSA-N 315.373 2.431 0 40 DEAB COc1ccc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 95350747 FRLFZBTZDWPLSD-GFCCVEGCSA-N 320.414 2.193 0 40 DEAB CC(C)C(=O)NCCNC(=O)c1csc2c1CC[C@H](C)C2 78940080 UFQOECZKANMVRU-NSHDSACASA-N 308.447 2.375 0 40 DEAB CN1CC[C@@H](NC(=O)c2ccon2)[C@@H]1c1ccc(F)c(F)c1 95449209 ZZXGTJUTGRCXMC-OCCSQVGLSA-N 307.300 2.128 0 40 DEAB COC(=O)c1cnc(C(=O)N(Cc2ccccc2)C2CC2)cn1 95456795 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O=C(c1cccnn1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 529368665 XHDZKMSZJUTQMA-VYDXJSESSA-N 309.369 2.121 0 40 DEAB O=C(O)[C@H](NC(=O)[C@@H]1CC12CCOCC2)c1ccc(Cl)cc1 540665099 VGJRDYRXCMMAKN-QWHCGFSZSA-N 323.776 2.399 0 40 DEAB Cc1cc(CCC(=O)O)nc([C@@H]2CCCN2C2CCOCC2)n1 72367047 SVNMFNJRAPKFKU-HNNXBMFYSA-N 319.405 2.118 0 40 DEAB CSc1ccc(S(=O)(=O)N[C@@H](CN)CC(C)C)cc1 124236540 SXOYWSYKXWHXMN-LLVKDONJSA-N 302.465 2.060 0 40 DEAB CN(C)C(=O)N1CCC(C(=O)OCCc2ccc(F)cc2)CC1 78986221 MCJHEJXCNVIUJW-UHFFFAOYSA-N 322.380 2.305 0 40 DEAB O=S1(=O)CC[C@H](Cc2nc(CCCc3ccccc3)no2)C1 78774566 JQKFBTWZZFMIAE-CQSZACIVSA-N 320.414 2.222 0 40 DEAB O=C(Cc1ccccc1C(F)(F)F)NC[C@H]1CCCNC1 129933189 MHSMQCIGKMXENF-NSHDSACASA-N 300.324 2.364 0 40 DEAB COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCC[C@H](C)C1 37200182 XKHTVJNKMBOGHU-BBRMVZONSA-N 321.417 2.369 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNC(C)(C)CO 32682367 NTFAXZBUDBIZAF-HNNXBMFYSA-N 309.450 2.393 0 40 DEAB CC(C)N(Cc1ccccc1)C1CCC(NC(=O)CN)CC1 79394318 CZYZWFWZEROSQK-UHFFFAOYSA-N 303.450 2.283 0 40 DEAB COCCn1ccc2c(C(=O)NC[C@H]3CCCO3)cccc21 79486933 JPXNWKLNUQLMJC-CYBMUJFWSA-N 302.374 2.197 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)COc3ccccc3C)C2)n1 41122138 MROKOJQPWLCHGJ-AWEZNQCLSA-N 315.373 2.471 0 40 DEAB Cc1cc(S(=O)(=O)n2cccn2)ccc1Br 41091869 OMIQYXNSEXELBR-UHFFFAOYSA-N 301.165 2.191 0 40 DEAB CCOCc1cc(C(=O)N2CCN(CC)CC2)ccc1OC 224408070 MKSWSVWNNVPPQY-UHFFFAOYSA-N 306.406 2.009 0 40 DEAB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CC 225038389 DWHHZXDVPGZCPR-CYBMUJFWSA-N 306.406 2.349 0 40 DEAB Cc1cc(NC(=O)NC2C[C@@H]3C[C@H]3C2)nn1CC(F)(F)F 333409136 PHDUAQXKDKRPMC-IUCAKERBSA-N 302.300 2.674 0 40 DEAB Cc1nc(Cn2cnc3c(ncn3-c3ccccc3)c2=O)oc1C 576658407 BAUJPYZIWPEKIZ-UHFFFAOYSA-N 321.340 2.235 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)CCS(=O)(=O)CC)C12CCCC2 96419749 KSORPEFEXMJUAM-ZIAGYGMSSA-N 303.468 2.091 0 40 DEAB CC(C)OCCS(=O)(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 96451010 ZEBZGXSCRGMVRI-QWRGUYRKSA-N 317.373 2.452 0 40 DEAB Cc1ccc(CN2CCO[C@@]3(COCCN(C(C)C)C3)C2)s1 96049727 XTYWIGMFEASCIO-KRWDZBQOSA-N 324.490 2.368 0 40 DEAB Cn1cccc1CN1CCC2(CCN(c3ncccn3)CC2)C1 96157678 LKBIXHLSKBPRNL-UHFFFAOYSA-N 311.433 2.308 0 40 DEAB C[C@@H](NC(=O)N1CC[C@@H](c2cnn(C)c2)C1)c1cncc(F)c1 331559804 OHTBDCDUNGXQKR-VXGBXAGGSA-N 317.368 2.214 0 40 DEAB CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H]1CCCc2c(O)cccc21 332711003 OTGRCROPPPJXLR-CXMBCZLWSA-N 318.417 2.437 0 40 DEAB COC(=O)CCCC(=O)N1C[C@@H]2CCCN2Cc2ccccc21 97102286 XIYDLEDTPRPJOE-HNNXBMFYSA-N 316.401 2.341 0 40 DEAB Cc1cncc(C(=O)N2C[C@@H](OCC3CC3)[C@H]3OCCC[C@H]32)c1 96042389 SVQDYVPBZBOIQF-ZACQAIPSSA-N 316.401 2.189 0 40 DEAB Cn1cc(CN2CCC3(CC2)C[C@@H](OCC2CCC2)CO3)cn1 96106953 XYOUJKFEXQWXFX-QGZVFWFLSA-N 319.449 2.360 0 40 DEAB O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc[nH]n1 96494232 RUQCNMGWZUOGOU-ZDUSSCGKSA-N 306.316 2.379 0 40 DEAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@H]1CCOC1 96420021 NSABQBPLNWVYQV-GZMMTYOYSA-N 304.173 2.180 0 40 DEAB CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 96440613 GQXOAVBOIPLTJW-HBNTYKKESA-N 323.359 2.274 0 40 DEAB CCCN(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@H]2OC)C1 245344134 XTBIUSYQFNWMRQ-ARFHVFGLSA-N 311.470 2.317 0 40 DEAB CCc1cccc(CC)c1NC(=O)C[C@@H]1SC(NC)=NC1=O 255190184 VMRLCCHHDDAWBY-LBPRGKRZSA-N 319.430 2.357 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@@H]2c2ccnc(O)n2)c1 257209696 BRNVWLKHHPPPNK-OAHLLOKOSA-N 313.357 2.097 0 40 DEAB CC(=O)N1CCC(N2CC(Cc3nccc4cc[nH]c34)C2)CC1 257289450 PYRFVNIDSUNWPK-UHFFFAOYSA-N 312.417 2.048 0 40 DEAB COC(=O)N1CCc2ccc(NC(=O)c3cc(C)on3)cc2C1 96096237 GQMUWRFWWCRVRJ-UHFFFAOYSA-N 315.329 2.360 0 40 DEAB O=C(CCF)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 585093567 IRPIYNYQCXQYBY-ZDUSSCGKSA-N 310.394 2.044 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCN(CC2CCOCC2)C1 585273335 BYAZHYGLQLCJMZ-SFHVURJKSA-N 305.418 2.237 0 40 DEAB Cc1ncc(CN(C)C[C@@H](O)COc2ccc(F)cc2)s1 51408124 DDEKTYPOKWJTSS-CYBMUJFWSA-N 310.394 2.462 0 40 DEAB C[C@H](CCc1ccccc1)CC(=O)N1CCC[C@@H](C(N)=O)C1 69380735 DEXBSGCJBULVHT-GDBMZVCRSA-N 302.418 2.369 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N(C[C@H]1CCCO1)[C@@H]1CCSC1 69950937 NVSNGYKXTXHATG-CHWSQXEVSA-N 321.446 2.414 0 40 DEAB Cc1nc([C@@H]2CCCN2CC(=O)N2CCc3ccccc32)no1 75573074 YAJJPIHSNBWVLE-HNNXBMFYSA-N 312.373 2.104 0 40 DEAB CC(C)(C)OC(=O)N1CCC(N2CCC[C@H](C(=O)O)C2)CC1 91303010 PBDGHRIEAPWNQU-LBPRGKRZSA-N 312.410 2.183 0 40 DEAB in-vitro O[C@]1(COc2ccccc2)COCCN(C2CCCCC2)C1 1615142340 FOPFTJNNVPSSAR-SFHVURJKSA-N 305.418 2.461 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)COc1ccc(Cl)cc1C 5244742 JKVBORLNDJPLJB-LLVKDONJSA-N 312.797 2.058 0 40 DEAB C[C@@H]1NC(=S)N(Cc2ccc(CN3CCCCC3)cc2)C1=O 14114307 WXZLWJFWRSVFJA-ZDUSSCGKSA-N 317.458 2.278 0 40 DEAB O=C(CN1C(=O)CCCc2ccccc21)NCc1cccnc1 15680306 JMQRFHXXSBMMQF-UHFFFAOYSA-N 309.369 2.067 0 40 DEAB Cc1cc(=N)[nH]c([C@@]2(C)CCCN2C(=O)c2ncccc2C)n1 607853550 PQYJDOGVFFSQED-QGZVFWFLSA-N 311.389 2.052 0 40 DEAB Cn1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)n[nH]2)cn1 522239772 MLPYXNDDQLKYCJ-UHFFFAOYSA-N 302.725 2.111 0 40 DEAB CSc1nc(C)c(CCC(=O)NC2CCC(C)CC2)c(=O)[nH]1 22143078 JUWQZURABHCJEO-UHFFFAOYSA-N 323.462 2.428 0 40 DEAB CC(=O)Nc1ncc(-c2nccnc2C2CCNCC2)s1 1848357259 MJMQHRGKILNHNN-UHFFFAOYSA-N 303.391 2.026 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)Oc1cccc(C)c1 30846909 CYWAMFMAKQPFKY-HIFRSBDPSA-N 307.390 2.466 0 40 DEAB CCc1ncnc(N2CCC[C@@H](COc3ncccn3)C2)c1F 1775995203 HUOIYQFQHJNCKK-GFCCVEGCSA-N 317.368 2.264 0 40 DEAB O=C(NCCCc1ccccc1)C(=O)NCCc1ccccc1 9235610 BDOAOMSGIHTHCT-UHFFFAOYSA-N 310.397 2.094 0 40 DEAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cn1 32836109 NTIJADOJPPZJQU-MRXNPFEDSA-N 322.368 2.343 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccncc1)C(=O)C2 100999237 LGDPTCUQJFXBGD-XHDPSFHLSA-N 308.403 2.219 0 40 DEAB biogenic,in-vitro CCCN(C[C@H]1COc2ccccc2O1)C(=O)c1cnccn1 40457472 MPJDYLOUPVGNPI-ZDUSSCGKSA-N 313.357 2.169 0 40 DEAB O=C(NCc1cc[nH]n1)c1cc2c(nc3sccn32)s1 40436562 VNNULQUJYJUBTI-UHFFFAOYSA-N 303.372 2.264 0 40 DEAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2 31662509 PXZLEIGBIUJBBO-MRVPVSSYSA-N 305.252 2.364 0 40 DEAB COc1ccc(C(=O)NS(C)(=O)=O)cc1-c1ccccc1 51896809 BOSBJRCZYXNYFX-UHFFFAOYSA-N 305.355 2.052 0 40 DEAB C[C@H]1CCCCN1CC(=O)Nc1ccccc1N1CCOCC1 2656745 NPVGVDAJUUZGJP-HNNXBMFYSA-N 317.433 2.336 0 40 DEAB COC(=O)C[C@@H](NC(=O)COc1ccccc1)c1ccccc1 1751737 WPCIZBRZKNJZLP-MRXNPFEDSA-N 313.353 2.486 0 40 DEAB CCc1cc(C(=O)N2CCN(c3ccccc3OC)CC2)no1 21365994 URSTWVXJXNCPAN-UHFFFAOYSA-N 315.373 2.208 0 40 DEAB Cc1cn2nc(NC[C@@H]3CCN(CC(F)(F)F)C3)sc2n1 52412877 DZUIKKBSTHKTPD-VIFPVBQESA-N 319.356 2.395 0 40 DEAB COc1cc(NC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1 3909655 DDYDNRWDELFZED-MRXNPFEDSA-N 315.325 2.482 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C3CC=CC[C@]32CC1 101049069 IHPPELIXSQXGRM-YJBOKZPZSA-N 307.353 2.121 0 40 DEAB CCN1CCN(C(=O)NCCc2c[nH]c3cccc(C)c23)CC1 103317210 IKXONUHENKUNBZ-UHFFFAOYSA-N 314.433 2.366 0 40 DEAB COc1cccc(C(=O)N(C)CC2CCN(C)CC2)c1OC 103453607 BYNHYJLMUBPEJR-UHFFFAOYSA-N 306.406 2.118 0 40 DEAB O=C(Cc1cccs1)OCc1nnnn1-c1ccccc1 22991528 GAVZWHOSRWXALN-UHFFFAOYSA-N 300.343 2.010 0 40 DEAB CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)C[C@@H]3C=CCC3)CCO2)n1 76046179 CFQCWNFIRAFPRU-CHWSQXEVSA-N 318.421 2.358 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)N1CCCc2ccccc21 3247832 BJUFICYODPSHJK-UHFFFAOYSA-N 319.364 2.376 0 40 DEAB CC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106762331 MSEBVGOLOPUJIZ-QEJZJMRPSA-N 314.385 2.380 0 40 DEAB COCc1noc([C@H](C)S(=O)(=O)c2ccccc2Cl)n1 97085288 YVLNKBWTSHVIJQ-QMMMGPOBSA-N 316.766 2.404 0 40 DEAB Cc1nn(C)c(C)c1C(=O)C(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107490850 MQPJSPSZOQSCLQ-MELADBBJSA-N 303.406 2.162 0 40 DEAB CCOC(=O)c1cc(NC(=O)c2cc(F)c(C)cc2F)[nH]n1 97080819 JWOHPEFPKRDTCM-UHFFFAOYSA-N 309.272 2.425 0 40 DEAB COCCN1COc2c(cc3c4c(c(=O)oc3c2C)CCC4)C1 57128637 KYCIBFJVDIOCAK-UHFFFAOYSA-N 315.369 2.388 0 40 DEAB Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)n1C 26937680 DZJXWQOKTORSKC-UHFFFAOYSA-N 301.365 2.435 0 40 DEAB O=C(c1sccc1C1CC1)N1CCN([C@H]2CCC[C@@H]2O)CC1 72269263 BSXNUAKUFSCKEL-GJZGRUSLSA-N 320.458 2.297 0 40 DEAB NC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1 27276680 YLRJKSGVNRNSEO-MRXNPFEDSA-N 324.384 2.227 0 40 DEAB COc1ccc(CN(C(=O)c2ccn(C)c(=O)c2)C2CC2)cc1 44605730 SGZIJLLZLMHOAP-UHFFFAOYSA-N 312.369 2.199 0 40 DEAB Cc1oc(C)c(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c1C 58008557 HGLTVIQRMIXAPL-UHFFFAOYSA-N 322.386 2.246 0 40 DEAB COc1cc(CO)cc(Cl)c1OCC(=O)NC(C)(C)C 20377469 SXYPQNLKNIMRMI-UHFFFAOYSA-N 301.770 2.134 0 40 DEAB Cc1n[nH]c2ncc(NC(=O)[C@H](C)OC[C@H]3CCCCO3)cc12 174385172 ZULBJZOKKRGALJ-WCQYABFASA-N 318.377 2.179 0 40 DEAB O=C(c1sccc1C1CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 72269264 BSXNUAKUFSCKEL-HUUCEWRRSA-N 320.458 2.297 0 40 DEAB NS(=O)(=O)c1ccc(CCNc2nc3ccccc3o2)cc1 12791861 YFCKGSHQZWZMMM-UHFFFAOYSA-N 317.370 2.130 0 40 DEAB Cc1ccc(-n2nc(C)c(C(=O)N3CCO[C@H](C)C3)n2)c(C)c1 11496373 KFNGLWRKEMVHGR-CYBMUJFWSA-N 314.389 2.053 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)c1ccc3c(c1)COC3)C2 69923452 YVKQFXQWIYREHE-UHFFFAOYSA-N 312.373 2.088 0 40 DEAB CC(C)OCc1ccc(CNC(=O)CCCCNC(N)=O)cc1 49133396 NHALBLQDCJIXDE-UHFFFAOYSA-N 321.421 2.066 0 40 DEAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 49174403 DMIFDBCXPVWBMI-LBPRGKRZSA-N 322.355 2.343 0 40 DEAB COc1ccc(-c2ccc(CCC(=O)O[C@@H](C)C(N)=O)o2)cc1 17736843 RRNDJPFBPQOCAZ-NSHDSACASA-N 317.341 2.305 0 40 DEAB Cc1n[nH]c(O)c1[C@H](c1cccc(F)c1)c1c(O)n[nH]c1C 4386890 JTSAMYWLGCVAAG-UHFFFAOYSA-N 302.309 2.480 0 40 DEAB Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1C 5292007 USQBOQXXEZHNTN-UHFFFAOYSA-N 317.389 2.079 0 40 DEAB COCCCN1CCCN(C(=O)Nc2cccc(F)c2)CC1 65517080 FBNQNSSRRATYBE-UHFFFAOYSA-N 309.385 2.402 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)CNC(=O)c2cc(F)cc(F)c2)o1 65522779 QWCQKFMFJRTLSP-SNVBAGLBSA-N 322.311 2.473 0 40 DEAB CC(C)[C@@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 5326979 BVBNTWRCQOBAAO-SNVBAGLBSA-N 307.785 2.154 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)N(C)Cc2cnn(C)c2)cc1F 27539547 VHOZCEKQPAQULE-GFCCVEGCSA-N 304.369 2.327 0 40 DEAB COc1ccccc1CN1CCC[C@@H]1C(=O)N1CCSCC1 92673125 INDIOSRPKRFGEA-OAHLLOKOSA-N 320.458 2.235 0 40 DEAB CCC(Nc1ccc(C)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4741328 HKJVJRRMMHPQET-UHFFFAOYSA-N 301.346 2.121 0 40 DEAB CN(CCOc1ccc(Cl)cc1Cl)[C@@]1(CO)CCOC1 96007183 KBZIEDPDKBWBHR-CQSZACIVSA-N 320.216 2.455 0 40 DEAB Cc1cc(C)n(CCCNC[C@H](O)COCc2cccs2)n1 6940272 SYRWXXWUTKDRHX-HNNXBMFYSA-N 323.462 2.119 0 40 DEAB COc1ccccc1CCC(=O)OCC(=O)NC1CCCC1 7429367 XUEMFBILCTWQEY-UHFFFAOYSA-N 305.374 2.230 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2ccc(O)c(Cl)c2)CC1 7735910 KHYMADHBPMQYJO-UHFFFAOYSA-N 311.765 2.461 0 40 DEAB CC(=O)Nc1cccc([C@@H](C)NCC2CCS(=O)(=O)CC2)c1 90882527 SBDPJYGTGUIFFF-GFCCVEGCSA-N 324.446 2.120 0 40 DEAB Cc1cc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)on1 8156002 SEUZQAKQDCEHTO-OAHLLOKOSA-N 317.370 2.328 0 40 DEAB Fc1cccc(Cl)c1CCN1CCO[C@H](Cn2cncn2)C1 70018077 HHPPTRJISIJHIU-LBPRGKRZSA-N 324.787 2.014 0 40 DEAB Cc1cc(C)n(C[C@@H]2CN(Cc3nc(C)c(C)o3)CCO2)n1 69368311 WCXJWTHWFRALLN-HNNXBMFYSA-N 304.394 2.006 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNC[C@H](c1ccsc1)N(C)C)CN2 69348589 IFMMXAOBZOUPNE-DZGCQCFKSA-N 319.478 2.187 0 40 DEAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1ccoc1 69419451 DNJUNVCYOUNUQA-INIZCTEOSA-N 303.314 2.020 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 96404709 MQTLVAWSUHAXBJ-CHWSQXEVSA-N 316.792 2.298 0 40 DEAB CC(C)(O)CNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1 72304484 LAIVILOYNDKTMS-UHFFFAOYSA-N 324.327 2.440 0 40 DEAB c1csc(N2CCCN(Cc3nnc(C4CC4)o3)CC2)n1 71830490 RTZNJPNTSCYFQJ-UHFFFAOYSA-N 305.407 2.116 0 40 DEAB COCc1nc(C(=O)N2CCC[C@H]2Cn2cc(C)cn2)cs1 71869920 RGCOEHGWRIKLDK-LBPRGKRZSA-N 320.418 2.099 0 40 DEAB O=C(C[S@](=O)Cc1ccccc1C(F)(F)F)NCC1CC1 71858820 DWDBPLKQTJEWTI-NRFANRHFSA-N 319.348 2.480 0 40 DEAB C[C@@]1(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1(Cl)Cl 71921199 GNFSSOZCAVWWQU-YUMQZZPRSA-N 306.111 2.096 0 40 DEAB CN(C)c1ccccc1CSc1nnnn1C[C@@H]1CCCO1 71921918 NVLDRWMKLHCVGL-ZDUSSCGKSA-N 319.434 2.210 0 40 DEAB Cn1cc(CNCc2cc(Br)cc3c2OCC3)cn1 97371385 ORRCEIHJLTYYIH-UHFFFAOYSA-N 322.206 2.407 0 40 DEAB O=C(COC(=O)[C@@H]1C[C@H]1c1ccco1)Nc1ccc(O)cc1 84432313 ZRLFGLLNKDNJSE-CHWSQXEVSA-N 301.298 2.271 0 40 DEAB Cc1cnc(CCNC(=O)N2CC[C@H](OCC(C)C)C2)s1 95413125 YQTWITRAJCJMKF-ZDUSSCGKSA-N 311.451 2.451 0 40 DEAB CC(C)N1CCN(c2ccc(C(=O)O[C@H]3CCOC3)cc2)CC1 95456267 ISYFXAOPEKSFFU-KRWDZBQOSA-N 318.417 2.163 0 40 DEAB CC1CCN(C[C@@H](O)COc2cccc(-n3ccnc3)c2)CC1 95974938 XEQDENHFZZQZAV-QGZVFWFLSA-N 315.417 2.344 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@H](C)CCC[C@@H]1C 74220275 NCMQOWFAKHBDET-AGIUHOORSA-N 304.456 2.030 0 40 DEAB Cc1nnc(O)c2c(NC(=O)CN(C)[C@H](C)C(C)C)oc(C)c12 89568154 PRYIDIJVOMJZDU-SNVBAGLBSA-N 320.393 2.460 0 40 DEAB CNC(=O)NCC(=O)NCc1ccc(-c2cccc(C)c2)cc1 89572380 DJIFJGDIPDEBJB-UHFFFAOYSA-N 311.385 2.207 0 40 DEAB Cc1cc(CN2CCN(CCCCn3ccnc3C)CC2)on1 89608665 MWTRUOHCTSVHEK-UHFFFAOYSA-N 317.437 2.086 0 40 DEAB Cc1csc(N(C(=O)CCCNC(=O)C2CC2)C2CC2)n1 89705694 RDXUSRQUZHAMPI-UHFFFAOYSA-N 307.419 2.253 0 40 DEAB CN(Cc1ccccc1Br)C(=O)C[C@@H]1CCNC1 89743777 BBYSDVIVKGWGIL-NSHDSACASA-N 311.223 2.407 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@H]1N(C)C 89937195 CMYQYHWHKMSAOI-BXKDBHETSA-N 310.781 2.091 0 40 DEAB CCOc1c(Cl)cc(Cl)cc1CNCCNC[C@@H](C)O 22074849 BMDYVQUOFPIFOP-SNVBAGLBSA-N 321.248 2.452 0 40 DEAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 38754682 JMIVUFYGTALHJF-CQSZACIVSA-N 324.808 2.221 0 40 DEAB O=C1C=C(Nc2ccc3oc(C(F)(F)F)cc(=O)c3c2)CN1 524733815 SCEHGLCBDNXLQA-UHFFFAOYSA-N 310.231 2.237 0 40 DEAB CCN(C)S(=O)(=O)N[C@H](C)CCc1ccc(F)c(F)c1 72709790 DJMIZAZVHHPLDU-SNVBAGLBSA-N 306.378 2.072 0 40 DEAB COC(=O)N1CC[C@H](NC(=O)C[C@@H](C)Cc2cccc(F)c2)C1 74030261 IETDPCSPPGLNIV-WFASDCNBSA-N 322.380 2.351 0 40 DEAB O=C(O)c1cccc2c1CCCN2S(=O)(=O)c1ccoc1 560419792 WSUAZZMQYQKQBZ-UHFFFAOYSA-N 307.327 2.119 0 40 DEAB Cc1cccnc1Nc1cccc([C@H]2CCCN2C(=O)CN)n1 72382969 YRWXGPFCYXKMHZ-CQSZACIVSA-N 311.389 2.151 0 40 DEAB Cn1nccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 194938982 GWVYICIGNGMABL-UHFFFAOYSA-N 315.348 2.294 0 40 DEAB C[C@@H]1C[C@H](N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 195529829 GQRZYASNEOWHBY-UPJWGTAASA-N 312.410 2.022 0 40 DEAB O=S(=O)(N[C@H]1CCSC1)c1c(F)c(F)cc(F)c1F 225752811 NJUOSHREEBAYLD-YFKPBYRVSA-N 315.313 2.027 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](Oc3cccnn3)C2)c(C)o1 225453835 FVYAVKHUZSSBHP-ZDUSSCGKSA-N 301.346 2.370 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)Cc2ccc(Cl)cc2)n1 224186716 YKDMRARENBMDNY-UHFFFAOYSA-N 318.808 2.363 0 40 DEAB Cc1cccc(NC(=O)N2CCS(=O)(=O)C[C@H](C)C2)c1F 192097488 SVXDSPIHUBOKHQ-SNVBAGLBSA-N 314.382 2.033 0 40 DEAB CC(C)[C@H]1CCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 576196567 CPEQQNKELWBOSL-CYBMUJFWSA-N 311.403 2.267 0 40 DEAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4occc4C)CC[C@H]3O2)n1 96043643 DNERXNCVUJWLLG-YNEHKIRRSA-N 317.345 2.272 0 40 DEAB O=C(C[C@H]1COCCN1C(=O)c1cscn1)c1ccccc1 96466907 MJVXOLKYHQZXRV-ZDUSSCGKSA-N 316.382 2.257 0 40 DEAB c1ccc(-n2nnnc2COc2ccc(-n3cccn3)cc2)cc1 96447953 BTKOUPSVEARVIU-UHFFFAOYSA-N 318.340 2.427 0 40 DEAB COC(=O)N1CC[C@H](NC(=O)[C@H](C)c2cc3ccccc3o2)C1 96451365 FYNFBCLIEVUJDH-YPMHNXCESA-N 316.357 2.493 0 40 DEAB COC[C@@H]1CN(Cc2nccs2)Cc2c1cnn2CC1CC1 96197917 NMVLXYGXMKYUHH-ZDUSSCGKSA-N 318.446 2.495 0 40 DEAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccoc4C)CC[C@@H]3O2)n1 96070539 HEDUMRBRROFYBM-FPMFFAJLSA-N 317.345 2.272 0 40 DEAB Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3ccsc3)C2)C1 96239247 INSGTFZIKMVFNM-INIZCTEOSA-N 316.430 2.111 0 40 DEAB c1ccc(C[C@H]2[C@H](N3CCOCC3)CCN2CC2CC2)cc1 96061703 LBGAYBRRGXKECV-MOPGFXCFSA-N 300.446 2.414 0 40 DEAB O=C(CCN1CCC(=Cc2ccccc2)CC1)N1CCOCC1 96455401 BTXGNKGERQCEQK-UHFFFAOYSA-N 314.429 2.415 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nc(C)c[nH]2)C1 257215214 CPDWCVGPWIXAGB-SNVBAGLBSA-N 305.407 2.152 0 40 DEAB O=C(NCc1ccnnc1)c1ccc(Cc2ccccc2)nc1 257273679 NHRFUHMGMUAHIP-UHFFFAOYSA-N 304.353 2.392 0 40 DEAB CCOCCCNC(=O)N1CCC[C@@H]1c1nnc2ccccn12 43006005 RWSFHZNBQUEPBW-CYBMUJFWSA-N 317.393 2.002 0 40 DEAB CC(C)[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CCO 257323682 WLKXBUXVJSENMZ-JCGSYMEFSA-N 309.450 2.351 0 40 DEAB O=C(Cn1ccnc1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257315298 VASDJTVCFVHKAG-UAGQMJEPSA-N 311.385 2.199 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2sc(C)nc2C)n1 257336092 YNCORJWRYSMLHQ-NSHDSACASA-N 306.391 2.005 0 40 DEAB Cc1cnccc1C(=O)N1CC[C@](O)(COc2ccccc2)C1 585275318 AKMLQEQNVMEYAV-GOSISDBHSA-N 312.369 2.046 0 40 DEAB Cc1cccc(C)c1NC(=O)NCc1nnc(O)n1C1CC1 585141544 VQUDSZRJAXYRCC-UHFFFAOYSA-N 301.350 2.257 0 40 DEAB C[C@@H](COc1ccccc1F)NC(=O)NC1CCC(O)CC1 55087677 IOACFGHHVVQVBW-HIFPTAJRSA-N 310.369 2.196 0 40 DEAB O=C(COc1ccccc1)Nc1cc(C(F)(F)F)c[nH]c1=O 54534796 KTXSRCDCPXQJAM-UHFFFAOYSA-N 312.247 2.411 0 40 DEAB CCc1ccc([C@H](NC(=O)N2CCO[C@H](CO)C2)C(C)(C)C)o1 78971294 HTEMROYGYSUDTD-ZFWWWQNUSA-N 324.421 2.332 0 40 DEAB CN1CCC[C@H](N2CCC(OCc3ccccc3)CC2)C1=O 95466125 AUKNVMRCAHGRPV-KRWDZBQOSA-N 302.418 2.288 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1 5173638 MMXLEVZJONKLRG-UHFFFAOYSA-N 307.375 2.040 0 40 DEAB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1 5558747 FKFWCNPTPFRUAH-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB Nc1cc2c3c(cccc3c1)C(=O)N(CCN1CCCC1)C2=O 5640620 TXYIFVDECCPRPY-UHFFFAOYSA-N 309.369 2.114 0 40 DEAB CN1C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 8091620 IYYOKIKQRPLHLF-XYOKQWHBSA-N 313.269 2.377 0 40 DEAB COc1ccc2cc(C)c3nn(Cc4ccncc4)c(=O)n3c2c1 12117626 CZNQQSBDKGHWRT-UHFFFAOYSA-N 320.352 2.410 0 40 DEAB O=C(c1cscn1)N1[C@H]2CC[C@@H]1CC(O)(c1ccco1)C2 12157323 DEMKMVXPMIBXFD-YWXMQNBFSA-N 304.371 2.391 0 40 DEAB COc1nn(C)cc1C(=O)N1CCS[C@@H](c2ccco2)CC1 207009799 RLRCEZJNXBMKNJ-CYBMUJFWSA-N 321.402 2.342 0 40 DEAB CS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)c1 106580754 ZILSOPMLXZNZDZ-SGMGOOAPSA-N 307.415 2.256 0 40 DEAB Cc1nc(COc2ccccc2)sc1C(=O)N(C)CCO 20428101 AEDDRLLHUAESDN-UHFFFAOYSA-N 306.387 2.095 0 40 DEAB COc1cnc(O[C@@H]2CCN(Cc3sc(C)nc3C)C2)nc1 1206191968 AAYCGPUYYBMLJD-GFCCVEGCSA-N 320.418 2.212 0 40 DEAB Clc1ccccc1N1CCN(Cc2nnc3n2CCC3)CC1 1888863621 CGOQIBWPAPTECW-UHFFFAOYSA-N 317.824 2.200 0 40 DEAB Cc1cc(OC2CN(C(=O)[C@@H](C)Oc3ccccc3)C2)ccn1 1889175204 XOSQEYYAZGUHAJ-CQSZACIVSA-N 312.369 2.447 0 40 DEAB CC(C)n1nccc1C(=O)N1CCO[C@H](c2ccncc2)C1 1848355479 YCDYBZXVXHGZAI-HNNXBMFYSA-N 300.362 2.073 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3ccsc3)CC2)cs1 31259825 JRFFIZZPMSJRJJ-UHFFFAOYSA-N 307.444 2.471 0 40 DEAB COC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1 4164848 DLSWNQJRXRKFRK-UHFFFAOYSA-N 314.370 2.365 0 40 DEAB O=C(NCc1cn(-c2ccsc2)nn1)OCc1ccccn1 575618891 QKKQAXFWKZQFDG-UHFFFAOYSA-N 315.358 2.150 0 40 DEAB COc1ccc(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3O)cc1OC 100900381 QKXIPWXFQDIWOM-CLLJXQQHSA-N 307.346 2.245 0 40 DEAB in-vitro COc1cc(OC)cc(C(=O)NC2CCN(C(C)C)CC2)c1 20549645 DWPMLOVVUBVMFC-UHFFFAOYSA-N 306.406 2.306 0 40 DEAB COc1ccccc1-n1nnnc1S[C@@H]1CCCCC1=O 21085874 QXTBHKSBVJAHQN-CYBMUJFWSA-N 304.375 2.275 0 40 DEAB CCC1=NN(S(=O)(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 199862 JIBJXTTZOXYBQV-LLVKDONJSA-N 322.308 2.098 0 40 DEAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 17054868 LMZGBHIJKAEMQK-OUAUKWLOSA-N 319.327 2.407 0 40 DEAB CC(=O)NCCNC(=O)Nc1sc(-c2ccccc2)nc1C 96010727 NZAMJHBMEYTYPD-UHFFFAOYSA-N 318.402 2.376 0 40 DEAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cnccn1 21321320 VBAKWUZNQZYNBI-UHFFFAOYSA-N 310.357 2.355 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 32795399 YCWUDPDXOFROQA-QLFBSQMISA-N 302.422 2.198 0 40 DEAB COC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3S2)CC1 32893570 KAKDMBGFDLRIBS-AWEZNQCLSA-N 305.399 2.115 0 40 DEAB COCCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)C 4878886 FDMBEEVCSKZRHC-UHFFFAOYSA-N 314.455 2.055 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102697833 XYQUQHGACAGLCG-GASCZTMLSA-N 312.369 2.139 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1 7405050 YZFAEWLOZLNOGT-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CC(=O)NCCc1ccc(C2=CSC3=NCCCN23)cc1 8133579 FISYXRUQNUBXPG-UHFFFAOYSA-N 301.415 2.472 0 40 DEAB COc1ccc(-c2noc(CCC(=O)N3CCCC3)n2)cc1 428493 LOKYQVVTQVGPIT-UHFFFAOYSA-N 301.346 2.300 0 40 DEAB O=C1CCC(=O)N1c1nn(Cc2cccc(F)c2)cc1Cl 2732517 IJIXHHKYZRRHKB-UHFFFAOYSA-N 307.712 2.377 0 40 DEAB COc1ccccc1C[C@@H](C)N(C)Cc1cc(=O)c(O)co1 75896578 CVKRRQWDFVDTRA-GFCCVEGCSA-N 303.358 2.417 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)CCCc2nc(C)no2)on1 53402339 AUZBBVHKJIPVHK-LBPRGKRZSA-N 304.350 2.361 0 40 DEAB CN1N=C(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)CCC1=O 42027391 YNWUQMRBVMGLFI-CQSZACIVSA-N 303.337 2.097 0 40 DEAB CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](CN)C1 12359103 KMWBSXFVUCPBFD-LBPRGKRZSA-N 302.415 2.114 0 40 DEAB O=C(CSCc1cccnc1)Nc1nnc(C(F)(F)F)[nH]1 53797081 DWMRJHCIWNMKNV-UHFFFAOYSA-N 317.296 2.090 0 40 DEAB CCn1nnc(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)n1 812127 CJUKQUPNLNDJIA-UHFFFAOYSA-N 316.148 2.261 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831810 KDXHXIQYXJAXSM-SFNKJDCFSA-N 324.509 2.216 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2C(=O)c3cccc(N)c3C2=O)c1 12534634 UUKVBMXMSIJZOQ-UHFFFAOYSA-N 323.352 2.120 0 40 DEAB Cc1cc(C(=O)NCCNc2nc3ccccc3s2)[nH]n1 54762043 UIVSZWMMGZSXKA-UHFFFAOYSA-N 301.375 2.170 0 40 DEAB Cc1ccccc1-n1ncc(C(=O)N(C)Cc2cnn(C)c2)c1C 24482475 JAVGABQWDAGVLW-UHFFFAOYSA-N 323.400 2.495 0 40 DEAB Cn1ccc(CS(=O)(=O)[C@H]2CCCc3ccccc32)cc1=O 55209358 XRXSVDOBXKPFIY-INIZCTEOSA-N 317.410 2.378 0 40 DEAB O=S(=O)(NCc1nc2ccccc2[nH]1)c1ccc(F)cc1 1401631 BFANBXXDNZZURP-UHFFFAOYSA-N 305.334 2.181 0 40 DEAB COc1ccc(C[C@@H]2C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 1438773 WJBCVGWZZFDKSC-OAHLLOKOSA-N 324.336 2.137 0 40 DEAB O=C(NCc1n[nH]c(=S)n1C1CC1)c1cccc(Cl)n1 78719101 QJOBMKUHAAIDAF-UHFFFAOYSA-N 309.782 2.254 0 40 DEAB O=C(NC1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1)C1CCC1 107496059 DWPKSLOTMVKHKY-DUVNUKRYSA-N 304.434 2.330 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)N(CC1CCCCC1)C1CC1 56844733 JNXYVRHDSAAMSK-OAHLLOKOSA-N 307.438 2.409 0 40 DEAB CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)CC 20448849 ZXXXWDHBAHQZFH-RYUDHWBXSA-N 324.446 2.316 0 40 DEAB CC(=O)N1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 44835045 UGTIVHKPTFNXDS-UHFFFAOYSA-N 319.792 2.136 0 40 DEAB CC(C)[C@H](C)N(C(=O)CNC(=O)Cc1ccccc1)C1CC1 58292031 JBEBPPNTSBLKQH-AWEZNQCLSA-N 302.418 2.381 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)NCCCc1ccccc1 2102332 SXYCKDHPVSRBJF-AWEZNQCLSA-N 324.446 2.213 0 40 DEAB biogenic NC(=O)CN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)C1CCCC1 58396166 PJYCCSJQTCWENM-ZIAGYGMSSA-N 304.365 2.186 0 40 DEAB O=C(Cn1nc(-c2cccs2)oc1=O)NC1CCCCCC1 12792903 XKQLSCQEJORZKU-UHFFFAOYSA-N 321.402 2.404 0 40 DEAB O=C1N[C@]2(CCOc3ccccc32)C(=O)N1Cc1ccccc1 36882661 MUNSAJOKNJPVED-SFHVURJKSA-N 308.337 2.416 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(F)c(F)c1)CS2 12931524 ITRAWXKGTWKPBT-SMDDNHRTSA-N 312.341 2.357 0 40 DEAB CC(C)[C@@H](Sc1c(F)cc(F)cc1F)C(=O)NC(N)=O 48620975 OXFOYXIJXSWJLI-SECBINFHSA-N 306.309 2.416 0 40 DEAB CCOCCCNCc1c[nH]nc1-c1ccc2c(c1)OCO2 48680571 IWHCREOKNUIVCC-UHFFFAOYSA-N 303.362 2.322 0 40 DEAB Cc1c(C(=O)O[C@H](C)C(=O)N2CCOCC2)oc2ccccc12 8728867 NKNBCANGUIGYMZ-GFCCVEGCSA-N 317.341 2.145 0 40 DEAB C[C@H]1CCCCN1CCNC(=O)c1cc(-c2ccco2)[nH]n1 65403059 YTWSOSUXZXYUNG-LBPRGKRZSA-N 302.378 2.274 0 40 DEAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NC(=O)c1ccco1 67889915 HDTJTURASLYLCV-YGRLFVJLSA-N 304.346 2.147 0 40 DEAB biogenic,in-vitro O=C(Cc1ccc2c(c1)CCC2)N1CCC(n2cncn2)CC1 65554228 HFMNOYQSAHAABY-UHFFFAOYSA-N 310.401 2.173 0 40 DEAB O=C1c2cccn2C[C@@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1 8861939 PYXCABGPCXIUPQ-MJGOQNOKSA-N 319.384 2.370 0 40 DEAB COc1cc(C)ccc1OCC(=O)OCC(=O)c1ccc[nH]1 6509461 FWPYEYWPANENLG-UHFFFAOYSA-N 303.314 2.137 0 40 DEAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@@H]1CCC(=O)C3 6520320 CDGFTOARGCEWKI-SUNYJGFJSA-N 301.386 2.268 0 40 DEAB O=C(NCCCc1ccccc1)c1ccccc1-n1cnnn1 8922662 CCVINOQVKJUPSZ-UHFFFAOYSA-N 307.357 2.025 0 40 DEAB Cc1ccc([C@@H](CNC(=O)[C@H](C)n2ccnc2)N(C)C)cc1 67266997 QPVVNSMHCSKXLX-GOEBONIOSA-N 300.406 2.172 0 40 DEAB O=C(NC1CCOCC1)N1CCC(c2ccc(O)cc2)CC1 80087446 RGCPOCAQMSUDAC-UHFFFAOYSA-N 304.390 2.460 0 40 DEAB CCOC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 8156100 YTWBVRZZKCCWPO-QGZVFWFLSA-N 318.373 2.140 0 40 DEAB c1ccc(-n2cc(CCNCc3nc(C4CC4)no3)cn2)cc1 69138049 XJJWOJRMSGYBSC-UHFFFAOYSA-N 309.373 2.465 0 40 DEAB Cc1cccc2c1C(=O)N[C@H](c1cnc(N3CCCC3)nc1)N2 70037299 SVYWYSULQXYVSO-OAHLLOKOSA-N 309.373 2.239 0 40 DEAB C[C@@H]([C@@H](C)NCc1cn(C)nc1-c1ccncc1)n1cccn1 69372380 ZWUKVWYBQMBHHP-KGLIPLIRSA-N 310.405 2.418 0 40 DEAB CC(C)(C)c1cc(C(=O)Nc2nnc(-c3ccoc3)[nH]2)[nH]n1 72286809 QOIMKNDQNRTYHB-UHFFFAOYSA-N 300.322 2.338 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H]2CCCN(C(C)C)C2)cn1 71857267 KVVQZTIOXKUQKN-INIZCTEOSA-N 304.438 2.310 0 40 DEAB O=C(NCCNc1cncc(Cl)n1)c1c(F)cccc1F 71903131 BVUNHJATLHJTFK-UHFFFAOYSA-N 312.707 2.250 0 40 DEAB O=C(NCC[S@@](=O)Cc1ccccc1)c1cccc(Cl)n1 78913122 YTLJWMJFQMBGRT-NRFANRHFSA-N 322.817 2.414 0 40 DEAB CN(Cc1ncc[nH]1)[C@@H](CO)c1cccc(Br)c1 97230439 LXELMOQHMYCHCY-LBPRGKRZSA-N 310.195 2.338 0 40 DEAB CC(C)C[C@H](C(=O)N(C)C1CCOCC1)N1CCCCC1=O 84456707 KEQXEROTTQTRJC-OAHLLOKOSA-N 310.438 2.051 0 40 DEAB Cc1ccc(C(=O)N2CCN(c3nc(C4CC4)ns3)CC2)o1 95408576 XAVNXHMTSVRQRR-UHFFFAOYSA-N 318.402 2.279 0 40 DEAB CCn1nc(C)c(CNC(=O)N(CC(C)(C)O)C(C)C)c1C 95434915 GQQZAEWRSKRCNN-UHFFFAOYSA-N 310.442 2.211 0 40 DEAB CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1cn[nH]c1)CO2 95441531 MQJXTTXAFQJZNY-NSHDSACASA-N 313.357 2.462 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@@H](CO)C1)c1ccc(F)cc1F 74886335 UZCSOVUCHYPEMP-VXGBXAGGSA-N 312.360 2.482 0 40 DEAB CC(C)Oc1cccc([C@H](O)CNC(=O)c2cccn2C)c1 89890883 MLOMPFDLPIJKOR-MRXNPFEDSA-N 302.374 2.276 0 40 DEAB CCCNC(=O)[C@@H](C)N1CCN([C@H](C)c2cccc(F)c2)CC1 89959133 KSQANIWVNWBYSC-HUUCEWRRSA-N 321.440 2.419 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 170380154 BOZXQSQZWPVDOX-OCCSQVGLSA-N 323.481 2.107 0 40 DEAB CN1CCCC[C@@]1(C)C(=O)N1CCC(Cc2cccnn2)CC1 72367355 HNYXRCLJROKXNC-SFHVURJKSA-N 316.449 2.132 0 40 DEAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CN)n2)s1 72382975 STLQNMQOLVOGNW-GFCCVEGCSA-N 317.418 2.212 0 40 DEAB CC1(C)OCC2(CO1)CN(C(=O)Cn1ccc3ccccc31)C2 70971217 HRRDQFAEJDOAKZ-UHFFFAOYSA-N 314.385 2.253 0 40 DEAB CC(=O)NCCC(=O)N[C@@H](COc1ccccc1F)C(C)(C)C 78996950 HGINCDKFDYKYNW-HNNXBMFYSA-N 324.396 2.262 0 40 DEAB CNC(=O)[C@@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 79355729 IQOMAODRHPBLLT-SECBINFHSA-N 313.760 2.469 0 40 DEAB C[C@]1(C(=O)Nc2ccon2)Oc2ccc(Cl)cc2NC1=O 41550283 ZMORHRMWSXKBQQ-ZDUSSCGKSA-N 307.693 2.056 0 40 DEAB CCN(Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C 79415807 FRGJTDSUAZVNOE-ROUUACIJSA-N 317.477 2.483 0 40 DEAB CC[C@@H](C)c1noc(C2CCN(S(=O)(=O)CC)CC2)n1 41122066 IVOHZSPLDUKZMM-SNVBAGLBSA-N 301.412 2.112 0 40 DEAB CC[C@H](NC(=O)c1cccnc1)c1ccc(S(C)(=O)=O)cc1 225432198 ULWHZEZGUHWUJS-HNNXBMFYSA-N 318.398 2.366 0 40 DEAB CCc1c(C(=O)O[C@@H](C)C(N)=O)cnn1-c1ccccc1Cl 192135138 HCYOSGODRIGQPN-VIFPVBQESA-N 321.764 2.119 0 40 DEAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccncc1 224049832 APIDBURJFBGREL-UHFFFAOYSA-N 301.371 2.339 0 40 DEAB O=C(NCCC1=CCCC1)N1CCCN(C(=O)C2CC2)CC1 133433665 BVRHCTHUCCIBPR-UHFFFAOYSA-N 305.422 2.141 0 40 DEAB C[C@H](NC(=O)Nc1cc(Cl)ccc1N(C)C)C(=O)N(C)C 192268908 UROLWLJSPDJILB-VIFPVBQESA-N 312.801 2.004 0 40 DEAB C[C@@]1(C(=O)N2CCCCC2)Oc2ccc(Cl)cc2NC1=O 41550501 WDDGIRANVWOMOW-OAHLLOKOSA-N 308.765 2.442 0 40 DEAB CC(C)OCCCNC(=S)Nc1ccc(C(=O)N(C)C)cc1 225376392 GUVHHWRGUAFWQH-UHFFFAOYSA-N 323.462 2.490 0 40 DEAB O=C(NCc1ccco1)[C@@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 96227198 SLRNZFBVDZNKRK-MAUKXSAKSA-N 316.401 2.325 0 40 DEAB Cn1nc(C(=O)NCCc2nc3ccccc3[nH]2)c2ccccc21 96116971 BNYUMQOYHYWPFO-UHFFFAOYSA-N 319.368 2.422 0 40 DEAB COC[C@@H](O)CNC(=O)Nc1ccc(Cl)cc1-n1cccc1 96418088 VXMFBVMFCWHLNV-LBPRGKRZSA-N 323.780 2.260 0 40 DEAB CC1(C)[C@H](NC(=O)NCCCOCc2ccco2)[C@@H]2CCO[C@H]21 230096074 DXWXUUNQMUMNBY-RRFJBIMHSA-N 322.405 2.299 0 40 DEAB CC(C)(NC(=O)CCCn1ccc2cc(Cl)ccc21)C(N)=O 95444849 CEGASDVWGFJBFV-UHFFFAOYSA-N 321.808 2.455 0 40 DEAB Cc1cccnc1[C@H](NCC(=O)N1C[C@H](C)O[C@H](C)C1)C(C)C 96424389 APALGGGJXPQKDZ-HLLBOEOZSA-N 319.449 2.313 0 40 DEAB CCc1cc(NC(=O)N[C@H](C)C[C@H](O)c2ccco2)n(C)n1 95413312 RDACSDUFQMQBQZ-PWSUYJOCSA-N 306.366 2.209 0 40 DEAB Cc1ccc(N2CCC[C@@]3(CCN(c4ncccn4)C3)C2)nn1 96217000 TXBBQUMFPAZPIB-QGZVFWFLSA-N 310.405 2.072 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1F)C2 96039202 OWRWRIVWMQXCDG-AEFFLSMTSA-N 321.392 2.412 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)[C@H]1CC1(Cl)Cl 96446862 NVPXOIOUVZKEFU-SNVBAGLBSA-N 308.205 2.230 0 40 DEAB COC(=O)C[C@@H](c1ccc(O)cc1)c1oc(C)cc(=O)c1O 96114949 WQOVRWDYUAOMSS-LBPRGKRZSA-N 304.298 2.054 0 40 DEAB biogenic COCCOC1CN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)C1 97212835 IUJTVUBHLALWQF-MJGOQNOKSA-N 315.413 2.154 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)C1(c2ccccc2)CCC1 96442171 PDBMDXKMILSCDX-AWEZNQCLSA-N 302.374 2.195 0 40 DEAB O=C1N[C@@H](c2ccccc2)C12CCN(CC1CCOCC1)CC2 96080427 JOLSGEMMSYZCPR-KRWDZBQOSA-N 314.429 2.366 0 40 DEAB COc1ccccc1[C@H]1CNCCN1C(=O)Cc1ccsc1 257319528 VSXTUTZZXWZTNU-OAHLLOKOSA-N 316.426 2.472 0 40 DEAB CNc1nccnc1C[C@@H]1CCCN(C(=O)c2cscn2)C1 257250218 JLOSFSAXSZHWIT-NSHDSACASA-N 317.418 2.070 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)oc2c(F)cccc12 257300589 RUXPOEXWLCTXNJ-MGPQQGTHSA-N 321.348 2.275 0 40 DEAB COc1ccc(CN2CCOC[C@@H]2c2[nH]ncc2C)c(F)c1 257225861 FIEOMAKHFDUHPC-OAHLLOKOSA-N 305.353 2.439 0 40 DEAB CCCC(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 585111402 SHVYLNPURDEWEW-MRXNPFEDSA-N 313.401 2.462 0 40 DEAB O=C(c1ccnc(F)c1)N1CCc2ncnc(C3CC3)c2CC1 585110531 KVIOAOJIMNHNDM-UHFFFAOYSA-N 312.348 2.129 0 40 DEAB CC(C)[C@@H](C)N(C(=O)CNC(=O)Cc1ccccc1)C1CC1 58292030 JBEBPPNTSBLKQH-CQSZACIVSA-N 302.418 2.381 0 40 DEAB COC(=O)c1ccccc1NC(=O)CN(C)c1cccc(O)c1 70013285 CQBTUUCLSGSGTA-UHFFFAOYSA-N 314.341 2.254 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCCN([C@@H]2CCSC2)CC1 1565522661 WXKFBIKKJHRHQP-MRXNPFEDSA-N 322.449 2.408 0 40 DEAB CN(C)[C@H]1CCC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C1 95424934 WQEPLKYUEWGIGE-GJZGRUSLSA-N 309.454 2.214 0 40 DEAB CCOC(=O)C[C@H](Cc1ccc2c(c1)OCO2)C(=O)OCC 5574970 VGDFLRZDTVHPOK-LBPRGKRZSA-N 308.330 2.090 0 40 DEAB COCCCN1Cc2cc3cc(OC)ccc3nc2OCC1=O 12115569 IBLYZHXRCZHHIS-UHFFFAOYSA-N 316.357 2.001 0 40 DEAB COC(=O)CSc1nc2nc(C)c(Br)cc2[nH]1 13122031 PIBQLGLMVFEARY-UHFFFAOYSA-N 316.180 2.294 0 40 DEAB O=C(CN1CCSC1=O)NCC1(c2ccccc2)CCC1 14709459 NAOGYGDKCHZWCX-UHFFFAOYSA-N 304.415 2.393 0 40 DEAB O=C(NCCn1nc2c(cc1=O)CCCCC2)c1cccs1 19342915 QGPYPCXEZXJQKJ-UHFFFAOYSA-N 317.414 2.004 0 40 DEAB N=c1n(CC(N)=O)c2ccccc2n1Cc1ccccc1Cl 19973656 LVCRVCAQSQLOAX-UHFFFAOYSA-N 314.776 2.109 0 40 DEAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(F)cc1 8477190 YTOBLCDCWYJJLB-UKTHLTGXSA-N 302.305 2.230 0 40 DEAB CC(C)[C@H]1COc2ccccc2CCCCNCC(=O)N1C 643583514 FPMGSPQQFJJLMU-MRXNPFEDSA-N 304.434 2.474 0 40 DEAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 32652530 YJMVNPZIVXZDMU-XVKPBYJWSA-N 322.233 2.360 0 40 DEAB Cc1occc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 33119036 VCWKNQFDUGTYSK-VIFPVBQESA-N 300.314 2.410 0 40 DEAB Cc1ccc(Nc2nc(NCCO)c3cnn(C)c3n2)cc1C 7449612 UBPIHXAOCRRVHC-UHFFFAOYSA-N 312.377 2.128 0 40 DEAB CCOc1ccccc1C(=O)N1c2ccccc2C[C@@H]1C(N)=O 10255631 VBBRIMXMTDBSFD-OAHLLOKOSA-N 310.353 2.142 0 40 DEAB O=C(NCc1ccsc1)C(=O)NCc1ccccc1Cl 13724190 CENAXSDKEKZLLU-UHFFFAOYSA-N 308.790 2.334 0 40 DEAB CC(C)CC(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055739358 SODWTIPDTAVRKW-ZDUSSCGKSA-N 305.422 2.290 0 40 DEAB O=C(/C=C/c1cccs1)NCC1CCN([C@@H]2CCOC2)CC1 575616369 NJQQUENECLRLLO-NHZBNJEXSA-N 320.458 2.378 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N[C@](C)(C(=O)O)C2CC2)n1 50364139 FSIDEKOPTACEFA-AWEZNQCLSA-N 311.769 2.237 0 40 DEAB Cc1cc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)on1 40498741 FISRLVPZUIEAHL-UHFFFAOYSA-N 306.265 2.371 0 40 DEAB NC(=O)c1ccc(OCc2noc(-c3ccsc3)n2)cc1 31673629 PVSNKTXRKCANAP-UHFFFAOYSA-N 301.327 2.476 0 40 DEAB COc1ccccc1CC(=O)N1CCCc2c(C(N)=O)cccc21 40548693 GLWLBSOCZNVXGR-UHFFFAOYSA-N 324.380 2.316 0 40 DEAB Cc1cc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)no1 40528919 SQNUGWJWBFYYCQ-UHFFFAOYSA-N 306.265 2.371 0 40 DEAB Cc1nnnn1-c1cccc(NCC(=O)N(C)c2ccccc2)c1 29686918 FXCNHEPDTGBWCE-UHFFFAOYSA-N 322.372 2.046 0 40 DEAB CC(C)N1C[C@@H](C(=O)N2CCC[C@H]2c2ccncc2)CC1=O 46332654 SFCGHQMYFVKUGZ-GJZGRUSLSA-N 301.390 2.002 0 40 DEAB CC(=O)OC[C@@H]1CCC[C@H](n2cnc3c(Cl)ncnc32)O1 1675221 AHZABOWLZLLHTP-VHSXEESVSA-N 310.741 2.111 0 40 DEAB C[C@@H]1CN(C(=O)CCNc2ncnc3ccccc23)C[C@@H](C)O1 52445306 PWOFYWDDLGRMDX-CHWSQXEVSA-N 314.389 2.068 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1 4942429 NTDTUAFZLANFCH-LSDHHAIUSA-N 306.325 2.493 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 3189134 NLPXBKTYMQNDRV-VMPITWQZSA-N 308.384 2.047 0 40 DEAB Cc1ccc(N2CC[C@H](N3C[C@@H]4[C@@H](C3)[C@H]3CC[C@H]4O3)C2=O)cc1 110648914 SCEKIZVGVKGAJC-UYTYNIKBSA-N 312.413 2.210 0 40 DEAB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)OCO3)c(C)[nH]1 23446541 GJTYBYNWJSFPTP-UHFFFAOYSA-N 301.298 2.400 0 40 DEAB CCCn1c(O)c(C(=O)Nc2cnccn2)c(=O)c2ccccc21 1309980 SSMUTIZWENJZFM-UHFFFAOYSA-N 324.340 2.159 0 40 DEAB COC(=O)C1(NC(=O)Cc2cccc(OC)c2)CCCCC1 25168906 XSFOAVIRQQJLCG-UHFFFAOYSA-N 305.374 2.230 0 40 DEAB O=C(CNC(=O)c1ccccc1)NCc1ccc(Cl)cc1 3294683 IKBYRSNNVRLVNY-UHFFFAOYSA-N 302.761 2.386 0 40 DEAB COCc1cc(CNS(=O)(=O)c2ccccc2)ccc1F 107702631 BSFWRAZGLOQFJW-UHFFFAOYSA-N 309.362 2.451 0 40 DEAB COc1ccccc1CNC(=O)CN1CCOc2ccccc21 26199683 MPHTXAAVCWNGLL-UHFFFAOYSA-N 312.369 2.210 0 40 DEAB CCCCOc1ccc2cc(C(=O)NC(C)(C)C(N)=O)[nH]c2c1 57051374 HOXLGUWMCOZDGH-UHFFFAOYSA-N 317.389 2.341 0 40 DEAB Cc1ccc2c(C(=O)CN3CCC(C(N)=O)CC3)c(C)[nH]c2c1 57058950 WOBCCAWOBBKNLK-UHFFFAOYSA-N 313.401 2.165 0 40 DEAB O=C(CCOc1cccc(Cl)c1)NCCNc1ncccn1 57060643 CQSNOMDYJSDYBJ-UHFFFAOYSA-N 320.780 2.127 0 40 DEAB Cn1ccc(NC(=O)Nc2ccc(-c3nnnn3C3CC3)cc2)n1 97098850 QIVNQUJEVSUATG-UHFFFAOYSA-N 324.348 2.053 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)COc2cccc(Cl)c2C)C1 72290086 GTMCKIRVTOKANJ-CYBMUJFWSA-N 324.808 2.154 0 40 DEAB CNC(=O)COc1cccc(NC(=O)NC2CCCCC2)c1 44302423 BZZDWCSHIFMSIX-UHFFFAOYSA-N 305.378 2.266 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1cc(C)on1)C[C@H]2O 48236301 AZMSDUUCPFYBJE-CYBMUJFWSA-N 304.346 2.049 0 40 DEAB O=C(CCc1nc2ccccc2[nH]c1=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101729837 LENMPHYSMROVMX-IHRRRGAJSA-N 323.396 2.184 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)[C@@H]2COc3ccccc32)no1 72299090 QEJZDXRWNYUFCR-CHWSQXEVSA-N 313.357 2.472 0 40 DEAB COC(=O)c1cccc(NCC(=O)N2CCc3ccccc3C2)c1 58159924 VAGINKOEHHUEKF-UHFFFAOYSA-N 324.380 2.470 0 40 DEAB O=C(NC[C@@H]1CCCO1)NC[C@H](c1cccs1)N1CCCC1 44892559 ULNYLIVWTBWNRX-UONOGXRCSA-N 323.462 2.363 0 40 DEAB CCOc1ncccc1C(=O)NCCn1cnc2ccccc21 58292467 MDZXLLAHOOAPMZ-UHFFFAOYSA-N 310.357 2.260 0 40 DEAB NC(=O)c1ccc(COc2cc(Cl)ccc2C(N)=O)cc1 58295169 BIWQIAOTTLBVHD-UHFFFAOYSA-N 304.733 2.117 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccs1 2413266 FAFCWFDJEWAUCS-AWEZNQCLSA-N 318.398 2.332 0 40 DEAB COc1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1F 12804047 PHGJOHLQSJPKQU-UHFFFAOYSA-N 318.352 2.082 0 40 DEAB Cc1c(C(=O)N2CCN(c3ccccc3Cl)CC2)cnn1C 11405871 FXGABPWJLKYXTC-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB CCN(CC)S(=O)(=O)CC(=O)OC1CCCCCCC1 97107090 AEUDBQKAXYIBKR-UHFFFAOYSA-N 305.440 2.314 0 40 DEAB C[C@H](NC(=O)CCn1ncc(=O)c2ccccc21)C(C)(C)C 69743294 HUWIDQWBCQIZRY-LBPRGKRZSA-N 301.390 2.337 0 40 DEAB CCOc1cccc(NC(=O)c2c(C)oc3nc[nH]c(=O)c23)c1 65488716 FWUHJCLQTFNJFA-UHFFFAOYSA-N 313.313 2.476 0 40 DEAB CC[C@H]1CN(CCOc2ccccc2C)CCN1CCOC 69840572 LNLTWELBFGTIHQ-KRWDZBQOSA-N 306.450 2.416 0 40 DEAB O=C(CSc1ncn[nH]1)Nc1ccc(F)c(-n2cccc2)c1 69849383 NRJZRSAHLIRBNY-UHFFFAOYSA-N 317.349 2.465 0 40 DEAB O=C(O[C@@H]1CCOC1=O)c1cc(C2CC2)nn1-c1ccccc1 7233267 NGUCYEPIDKCJFC-OAHLLOKOSA-N 312.325 2.222 0 40 DEAB C/C=C/C=C/C(=O)OCc1nc(N)nc(Nc2ccccc2)n1 7370985 WGCWKDVFLSPDIG-XPQLPGEHSA-N 311.345 2.373 0 40 DEAB CNc1ccnc(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1 67803835 VTITXFNEXQEHKU-UHFFFAOYSA-N 324.363 2.422 0 40 DEAB O=C(NCC(=O)N1CC=C(c2ccccc2)CC1)c1ccco1 15949621 NABULTJHOWGQHZ-UHFFFAOYSA-N 310.353 2.325 0 40 DEAB Cc1nn(C)cc1[C@@H](C)NC(=O)CSCc1ccncc1 68154092 RINJCSHFAMHHGW-LLVKDONJSA-N 304.419 2.234 0 40 DEAB C[C@H](Sc1nnnn1C)C(=O)C12CC3CC(CC(C3)C1)C2 7814635 VWZYXEQRAUTDKQ-RXOVYUGGSA-N 306.435 2.476 0 40 DEAB COC(=O)COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1 20244058 RXJVRGFGENBYEO-MRXNPFEDSA-N 312.325 2.093 0 40 DEAB COC(=O)c1cc(-c2ccccc2)nn1C[C@@H](O)C(F)(F)F 97141620 AOJKCKFMHSGFAU-GFCCVEGCSA-N 314.263 2.260 0 40 DEAB CCN(C(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C(C)C 97141716 BOWJDZFGHZBUJW-UHFFFAOYSA-N 321.396 2.434 0 40 DEAB Cc1ccccc1CNC(=O)C(=O)Nc1ccnn1C(C)C 72309176 PVTSDPFGMQIRFB-UHFFFAOYSA-N 300.362 2.027 0 40 DEAB COc1cc(OC)cc(O[C@@H](C)C(=O)NCC(F)(F)F)c1 9447414 FZRJUKBXBNTOFZ-QMMMGPOBSA-N 307.268 2.150 0 40 DEAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)c2cnccn2)C1 96409340 BDIZGBZEGVXLQY-AWEZNQCLSA-N 314.364 2.323 0 40 DEAB CCc1noc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)n1 71890257 HWHMEZWUZQZGIW-LLVKDONJSA-N 310.398 2.073 0 40 DEAB Cn1cc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)cn1 96852297 VSCJJXTZLFDAIY-WUXMJOGZSA-N 319.267 2.366 0 40 DEAB Cc1ccc(C)c(C(=O)N[C@H]2CCN(C(=O)c3ccccn3)C2)c1 95429895 VZJSEPQQTGIJPY-HNNXBMFYSA-N 323.396 2.343 0 40 DEAB C[C@@H](Cc1ccccc1Cl)C(=O)N(C)CCS(C)(=O)=O 95435940 HNYJYIPAGBSZDG-NSHDSACASA-N 317.838 2.022 0 40 DEAB Cn1cc(Cl)cc1CNS(=O)(=O)c1cncc(Cl)c1 95437331 YKOWRSNYYLCHEP-UHFFFAOYSA-N 320.201 2.205 0 40 DEAB CCOc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 98013088 UCLLCCIOPRORQY-ZDUSSCGKSA-N 303.280 2.225 0 40 DEAB CC(=O)N1CC[C@H](C(=O)N2C[C@H](C)Sc3ccccc32)C1 88221729 HXHFYBUTKKPBAM-AAEUAGOBSA-N 304.415 2.382 0 40 DEAB CN(C(=O)c1cccc2cc[nH]c12)[C@H]1CCC[C@H]1S(C)(=O)=O 85295448 JJRLERBISJUSLU-UONOGXRCSA-N 320.414 2.206 0 40 DEAB Cc1cc(NC(=O)N2CCC[C@@H](c3nc(C)no3)C2)ccn1 95981955 ZSFKCKSEVULKTG-GFCCVEGCSA-N 301.350 2.493 0 40 DEAB O=C(O)[C@H]1CS[C@@H](Cc2cccc(Cl)c2Cl)C(=O)N1 62712136 GOUZJTABMCCOGV-BDAKNGLRSA-N 320.197 2.221 0 40 DEAB O=C(CCc1ccccc1F)Nc1c[nH]nc1[C@H]1CCNC1 1549748615 YAWXMJACMHHMLP-LBPRGKRZSA-N 302.353 2.197 0 40 DEAB Cc1ncc(C(=O)N2CCN(c3ccccc3)C[C@H]2C)c(C)n1 1550004685 PLECIBHZMQFJRV-CYBMUJFWSA-N 310.401 2.444 0 40 DEAB Cc1nc(C(=O)N2CCC[C@H](c3ccnc4nccn34)C2)co1 72368595 JZIUFSDJPCBLKZ-LBPRGKRZSA-N 311.345 2.046 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32815823 FJKRQLSGYSNZND-SSDOTTSWSA-N 322.233 2.314 0 40 DEAB CSC[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1Cl 77786351 OZSAJJXFRIKSIK-ZETCQYMHSA-N 304.774 2.285 0 40 DEAB COc1ncccc1C(=O)N[C@H](c1ccccc1)c1n[nH]c(C)n1 79352366 PXACNLBJCFWLOR-CQSZACIVSA-N 323.356 2.036 0 40 DEAB COCCOCC(=O)Nc1ccccc1NCC(F)(F)F 79044751 VXXMMWFAXRLGQR-UHFFFAOYSA-N 306.284 2.262 0 40 DEAB Cn1cc(-c2cc(CSc3nccn4ccnc34)on2)cn1 193595225 LESVKSMFANNBGS-UHFFFAOYSA-N 312.358 2.410 0 40 DEAB COc1cccc(N2Cc3nc(N4CCCC4)ncc3C2=O)c1 40714363 FQMHWBVYFQXFJS-UHFFFAOYSA-N 310.357 2.246 0 40 DEAB Cn1cc([C@](C)(O)CN[C@@H](c2ccccc2)c2ccccn2)cn1 195553609 ZPNXABFKWVOQJZ-RBUKOAKNSA-N 322.412 2.402 0 40 DEAB Cc1ccc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)c(=O)[nH]1 96442404 SDFQKOVLDFJIPW-AWEZNQCLSA-N 312.369 2.367 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2ccsc2)[C@H]1c1cccnc1 96421733 MJFPFLIEEDCGIX-GXTWGEPZSA-N 301.371 2.301 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4C)C[C@@H]32)C(=O)N1C 96261411 IKEOLJNFHSWUBK-ZIFCJYIRSA-N 311.429 2.466 0 40 DEAB CO[C@H]1CCN(C(=O)c2cnoc2)C[C@@H]1Cc1ccccc1 96110515 MYEFSPFTXFCPCI-HOCLYGCPSA-N 300.358 2.394 0 40 DEAB CC(C)CCNC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96418181 ROBPJEWKSYKFAB-UHFFFAOYSA-N 319.373 2.388 0 40 DEAB NCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 95470789 RXTDJXDISWDSGQ-UHFFFAOYSA-N 319.158 2.157 0 40 DEAB COc1ccc(C(=O)N2CCC[C@]3(C[C@@H](OC)CO3)C2)cc1F 96107206 RYBLTWZSFQCKMO-DYVFJYSZSA-N 323.364 2.244 0 40 DEAB O=C(c1ccccc1O)N1CCn2c(nnc2-c2ccccc2)C1 96441353 TYVZYWAGVTXAEH-UHFFFAOYSA-N 320.352 2.307 0 40 DEAB CCc1ccc(N2C(O)=NS(=O)(=O)c3cccnc32)cc1 96511560 VMPPYGSPALXFDN-UHFFFAOYSA-N 303.343 2.398 0 40 DEAB Cc1cc(C)c(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)o1 96472986 BBONRUKMSOPRFU-CHWSQXEVSA-N 313.419 2.324 0 40 DEAB CCOC(=O)[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)O 95347677 KTHVHNXFBZPUOQ-HQJQHLMTSA-N 320.172 2.036 0 40 DEAB O=C(Nc1ccc(-n2nccn2)cc1)N[C@H](CO)c1ccccc1 97414109 FUAJPXCEDNOVOS-MRXNPFEDSA-N 323.356 2.122 0 40 DEAB COC(=O)[C@H]1CN(Cc2nc3ccccc3s2)C[C@@H](C)O1 96470056 FVWILADPNFPSLA-ZYHUDNBSSA-N 306.387 2.059 0 40 DEAB c1cnc(N2CC[C@@]3(CCCN(Cc4nccs4)C3)C2)nc1 96215742 XOJMVTYHJSXNBB-MRXNPFEDSA-N 315.446 2.426 0 40 DEAB COC(=O)Cn1ccc(N[C@@H]2CCc3c(F)cc(F)cc32)n1 97103842 XZDANLIHWZGVFF-CYBMUJFWSA-N 307.300 2.434 0 40 DEAB c1cncc(OC[C@@H]2CCOC23CN(Cc2ccncc2)C3)c1 247827801 JTEXOVLUSQATTA-INIZCTEOSA-N 311.385 2.147 0 40 DEAB O=C(NCCCCN1CCCC1)NCCOc1ccccc1 43159944 KNRWACAYXSTHNI-UHFFFAOYSA-N 305.422 2.241 0 40 DEAB CO[C@H]1CCN(CCOc2ccc(F)cc2)C[C@@]12CCCO2 257267441 MHIOKJJYVYBPKR-IRXDYDNUSA-N 309.381 2.474 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)cn1 257318966 VQCSBBVFUWBKIC-ZDUSSCGKSA-N 300.362 2.142 0 40 DEAB Cc1nccc(N2CCC[C@@H]2c2cnc(-c3ncc[nH]3)cn2)n1 257238281 HKHDVAFFVQLONT-CQSZACIVSA-N 307.361 2.307 0 40 DEAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)C[C@H]1CSCCN1 252489089 JFCOJCSXSHGLLZ-KBMXLJTQSA-N 320.458 2.070 0 40 DEAB O=C(c1ccsc1)N1CCO[C@H](CCc2ccncn2)C1 257303133 SFXPSOMHRCPRNM-CQSZACIVSA-N 303.387 2.012 0 40 DEAB COC(=O)[C@H]1CCn2c(COc3cc(C)cc(C)c3)nnc2C1 601045560 YEWUHKKERZJKMX-ZDUSSCGKSA-N 315.373 2.209 0 40 DEAB COCCNC(=O)Nc1cccc(COCCOC(C)C)c1 62416881 DCCNCBAYUHEORO-UHFFFAOYSA-N 310.394 2.396 0 40 DEAB CC(C)OC(=O)[C@H](C)CNC(=O)N1CCn2cccc2[C@@H]1C 74838511 DPWMPXRJVBWOOU-OLZOCXBDSA-N 307.394 2.162 0 40 DEAB CCc1cc(NC(=O)N2CCC[C@H](c3ccn(C)n3)C2)no1 1553071092 FTFLPJGCQGGKPF-NSHDSACASA-N 303.366 2.382 0 40 DEAB CCc1nnc2n1CCN(Cc1noc(-c3ccc(C)cc3)n1)C2 69510676 ZZHCSSLYOIRPIA-UHFFFAOYSA-N 324.388 2.215 0 40 DEAB CCc1nsc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3C)CC2)n1 96439917 SSXYRXFVTGUNEC-NWDGAFQWSA-N 323.466 2.121 0 40 DEAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCCN3)ncc2C1 19292245 VHUVNTHVQCHTLZ-MRXNPFEDSA-N 314.433 2.366 0 40 DEAB CSCC[C@@H]1CN2CCC[C@H]2CN1Cc1cn(C)nc1C 19583923 FIZGQUZGUHHMJT-JKSUJKDBSA-N 308.495 2.130 0 40 DEAB Cc1ccc([C@@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)cc1 19819863 OEGULKJRYRCEBF-NSHDSACASA-N 320.352 2.121 0 40 DEAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(O)nc1 9709939 SMSWMYAVIQMUQU-UHFFFAOYSA-N 322.328 2.028 0 40 DEAB OC[C@@]12CCCC[C@H]1CN(c1ncc(Br)cn1)C2 1888844082 IDHRVBJGTQUHQE-GWCFXTLKSA-N 312.211 2.228 0 40 DEAB O=C(O)C1CCC(Cn2c(O)nc3ccsc3c2=O)CC1 1888890746 YLLOUTNZYWBRAF-UHFFFAOYSA-N 308.359 2.055 0 40 DEAB COc1cc(NC(=O)c2ccc3nc(C)cn3n2)cc(OC)c1 1888909582 BJRYFZIUBWBLOF-UHFFFAOYSA-N 312.329 2.307 0 40 DEAB O=C(NC1CCCC1)N1CCC(Oc2ncc(F)cn2)CC1 1185894613 KXJZDGIHFSFYID-UHFFFAOYSA-N 308.357 2.111 0 40 DEAB O=C(NCCCn1nc(-c2ccccc2)ccc1=O)c1ccco1 13795539 YBVIUFHCJVZZFD-UHFFFAOYSA-N 323.352 2.323 0 40 DEAB CC[C@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 40115244 NRYPCAQTDPUNIV-INIZCTEOSA-N 317.477 2.486 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)N(C)Cc1cnn(C)c1)C2 40488628 DJOLFFWYTXJNCW-OAHLLOKOSA-N 301.415 2.404 0 40 DEAB CC(C)NC(=O)NCCCc1cc(N)n(-c2ccccc2)n1 40549199 UDGBKJICJXTBKF-UHFFFAOYSA-N 301.394 2.095 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](C(=O)O)C1 36966286 KZVSVQPFSQLBIH-WDEREUQCSA-N 311.765 2.431 0 40 DEAB CC(C)(C)NC(=O)NC[C@H]1CCC[C@@H]1NC(=O)NC(C)(C)C 136893 HUXQSVZCFQWVEF-NEPJUHHUSA-N 312.458 2.351 0 40 DEAB CC(C)CN1C[C@@H](C(=O)Nc2nc3c(s2)CCC3)CC1=O 29860407 HESQOWIELQSLQM-JTQLQIEISA-N 307.419 2.075 0 40 DEAB O=C(NCCSc1ccccc1)NCCC(=O)N1CCCC1 32795200 XKFUMFBDSBDUJN-UHFFFAOYSA-N 321.446 2.090 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 102697835 XYQUQHGACAGLCG-HUUCEWRRSA-N 312.369 2.139 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6731093 RBCLQHYNMDGQIU-VOAKCMCISA-N 309.749 2.465 0 40 DEAB CCn1cc(NC(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)cn1 71899744 TZYNXKTUFZHVJK-AWEZNQCLSA-N 320.299 2.313 0 40 DEAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cnc2ccccc2n1 22124833 GSBYPTUTQNODCA-GFCCVEGCSA-N 313.357 2.188 0 40 DEAB CCn1c(SCc2noc(C)n2)nnc1-c1ccncc1 53223289 OCJYDWKGCKHQCZ-UHFFFAOYSA-N 302.363 2.344 0 40 DEAB CCCc1c(C(=O)OCC)cnc2nc(C(F)(F)F)nn12 9926686 AHBIQNLNDGVISJ-UHFFFAOYSA-N 302.256 2.272 0 40 DEAB Cc1noc(C2CCN(C(=O)CCc3ccncc3)CC2)n1 54122592 IPFHWYAUUMXYOS-UHFFFAOYSA-N 300.362 2.112 0 40 DEAB NC(=O)c1ccc(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)cc1 76090489 ABXRHCZIPVBNBL-CQSZACIVSA-N 324.380 2.469 0 40 DEAB CCN1CCCC2(CCN(C(=O)c3cnccc3C)CC2)C1=O 108535107 DGTAKGDVDCICCZ-UHFFFAOYSA-N 315.417 2.255 0 40 DEAB CCCCCC(=O)NC[C@@H](O)COCc1ccc(OC)cc1 58029762 ZXKMQURSJWSHGO-OAHLLOKOSA-N 309.406 2.269 0 40 DEAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)n1 108532627 ZOSYSIQRLKZSDO-OAHLLOKOSA-N 317.433 2.105 0 40 DEAB COc1cc(OC)c2c(c1)S(=O)(=O)C(c1ccccc1)=C2N 100637192 FQSSLTJMEOYBMA-UHFFFAOYSA-N 317.366 2.276 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccccc1F)N1CCC[C@H](n2cncn2)C1 72272351 DEHFMCOESLRTGS-AEGPPILISA-N 314.364 2.384 0 40 DEAB Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)S(C)(=O)=O)o1 72291596 ABFXWKLFOFKZNU-STQMWFEESA-N 313.419 2.465 0 40 DEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N[C@@H](C)c1cc(C)ccc1OC 25263117 IOSKNWPBCKNTHJ-TYNCELHUSA-N 321.421 2.264 0 40 DEAB C[C@H](NS(=O)(=O)c1ccccc1)c1nnc2n1CCCCC2 48250768 JRWCCUYNBCFDEM-LBPRGKRZSA-N 320.418 2.044 0 40 DEAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC1CCCC1 58182296 OQRRITMXKFVJCI-UHFFFAOYSA-N 322.430 2.343 0 40 DEAB Cc1cc(C(=O)N2CCN(c3cnccn3)CC2)c(C)s1 44895569 AGIUAHKSHFAWSD-UHFFFAOYSA-N 302.403 2.117 0 40 DEAB CN(C)S(=O)(=O)c1c[nH]c(-c2nnc(-c3cccs3)o2)c1 48286185 DNQZGBKMGKYGAQ-UHFFFAOYSA-N 324.387 2.044 0 40 DEAB Cc1nc(CCNC(=O)c2cc(-c3cccnc3)on2)cs1 44936796 RFLOVTIGMUWUIX-UHFFFAOYSA-N 314.370 2.474 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)NCc1cccnc1-n1ccnc1 44912709 IPOZYJJMALGKPD-CQSZACIVSA-N 322.368 2.351 0 40 DEAB CCN(CC)C(=O)C1CCN(c2cncc(SC)n2)CC1 97162939 BLKVGGBOXVMNEU-UHFFFAOYSA-N 308.451 2.283 0 40 DEAB COc1c(CNCc2ccc(N3CCCC3)nc2)c(C)nn1C 58393492 SRCXKOPDBNSYNM-UHFFFAOYSA-N 315.421 2.022 0 40 DEAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1n[nH]c(N)n1 10715880 GIEHJZBANUSTJA-UHFFFAOYSA-N 319.434 2.306 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)[C@@H](C)CO1 45449468 FTNMOQWBXVIGHU-UWVGGRQHSA-N 318.295 2.272 0 40 DEAB COC(=O)c1c(Br)cnn1CCC(F)(F)F 408716556 OGIXSVKFQSBSAZ-UHFFFAOYSA-N 301.062 2.385 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CCCCNC1=O 45667776 JJWWMMZHNGBMIA-STQMWFEESA-N 321.446 2.436 0 40 DEAB CN(C(=O)CSc1ncnc2c1cnn2C)C1CCCCC1 11676771 KEPSACNMMUHDCX-UHFFFAOYSA-N 319.434 2.247 0 40 DEAB C[C@@H]1C[C@@H]1[C@H](NS(=O)(=O)Cc1ccon1)c1ccccc1 96428051 HYWLWUJYVZUEJQ-BYCMXARLSA-N 306.387 2.491 0 40 DEAB Cc1sc(-n2cccc2)c(C(=O)N2CC[C@H](C(N)=O)C2)c1C 71821038 ZNAAGIGZOCCIQX-LBPRGKRZSA-N 317.414 2.103 0 40 DEAB C[C@@H](NCc1cnn(-c2ccc(Cl)cc2)c1)C(=O)N(C)C 48713036 KUEBQHDLTRUFQQ-LLVKDONJSA-N 306.797 2.092 0 40 DEAB Cc1ccc([C@H]2CCCN2C(=O)CSCC(N)=O)cc1C 71830072 IBBCJISXPGECGL-CQSZACIVSA-N 306.431 2.185 0 40 DEAB COc1c(C)cnc(CNC(=O)[C@@H]2Cc3ccccc3O2)c1C 64998052 OTMKABICFNQYRM-INIZCTEOSA-N 312.369 2.327 0 40 DEAB CC(C)[C@@H](NCc1cccc2c1OCCCO2)C(=O)N(C)C 71825244 WAHGZYPBPDNIPH-OAHLLOKOSA-N 306.406 2.050 0 40 DEAB O=C(NCCc1nncn1C1CC1)C1(c2ccccc2)CCC1 71893452 PMOBYGBOKGJYHH-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB CNC[C@@H]1CCN(C(=O)Cc2ccc(C(F)(F)F)cc2)C1 71142895 FFXOWHRJZMAGHI-LBPRGKRZSA-N 300.324 2.316 0 40 DEAB CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1 5476928 YCIXBZGYLSSJIJ-GXSJLCMTSA-N 322.430 2.479 0 40 DEAB C[C@@H](NC(=O)NCCC1(C)OCCO1)c1cccc(F)c1F 97115841 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MEKLMCUHESKPQM-UHFFFAOYSA-N 313.471 2.296 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H](C)N1CCCC1 69369680 CWXAOOTZICWSFZ-LBPRGKRZSA-N 317.389 2.386 0 40 DEAB Cc1ccc(N2CCCN(C(=O)c3ccc(C)o3)CC2)nn1 69491864 QCIDHEOTVHSBHK-UHFFFAOYSA-N 300.362 2.039 0 40 DEAB O=C1NC2(CCSCC2)C(=O)N1Cc1cccc(F)c1F 69580729 IDWRNCWMIYNVAN-UHFFFAOYSA-N 312.341 2.282 0 40 DEAB CSCCc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1 69684441 OPCWRSUTIDFQIZ-UHFFFAOYSA-N 309.435 2.225 0 40 DEAB C[C@@H](NC(=O)NC1CC1)C(=O)Nc1cccc(N2CCCC2)c1 69743084 FAVOUGDTIUIKOZ-GFCCVEGCSA-N 316.405 2.075 0 40 DEAB O=C(CN1CC(n2cccn2)C1)N1CCC[C@@H]1c1cccs1 71879090 VXQDMGRVIBLLCV-CQSZACIVSA-N 316.430 2.165 0 40 DEAB CC(=O)N[C@H](CC(=O)Nc1ncccc1O)c1cccs1 96936873 WWOLYUHRDVXYDJ-SNVBAGLBSA-N 305.359 2.055 0 40 DEAB O=C(CC1(CO)CC1)N1CC[C@@H](OCCCc2ccccc2)C1 84528604 CJAPYRXFYYQSBE-QGZVFWFLSA-N 317.429 2.399 0 40 DEAB C[C@H](CS(C)(=O)=O)NC(=O)CCCc1c[nH]c2ccccc12 78681950 DROMEISKCHRLAV-GFCCVEGCSA-N 322.430 2.040 0 40 DEAB CC(=O)CCCCCCC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21 95449996 UZUVHUPTPNRZEA-CABCVRRESA-N 308.422 2.186 0 40 DEAB CC(C)(C)NC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 95427265 NIMHGHGHVLFEEU-GJZGRUSLSA-N 306.406 2.319 0 40 DEAB O=c1ccccn1Cc1noc(Cc2cccc(F)c2F)n1 95410239 IXWUOIFSKMIQLZ-UHFFFAOYSA-N 303.268 2.149 0 40 DEAB COC(=O)[C@@H](C)[C@@H](NC(=O)c1cn(C)nc1C)c1ccccc1 79620772 ZXFWCAVGQROWTG-XHDPSFHLSA-N 315.373 2.009 0 40 DEAB CCOC(=O)/C(C)=C/[C@H](C(C)C)N(C)C(=O)[C@@H](N)C(C)(C)C 38274848 LWKWBMKMTOYVDA-XMNZZIDVSA-N 312.454 2.352 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N1CCC(Nc2nccs2)CC1 189982705 IIWDQFPZSBIFKI-UHFFFAOYSA-N 319.434 2.129 0 40 DEAB CC1(C)[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)[C@H]1C(=O)O 70666378 HPVJYDOAPSFAGJ-CABCVRRESA-N 312.369 2.409 0 40 DEAB biogenic O=C(O)[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 39618748 RHYHJPFIKWMTFP-SJORKVTESA-N 311.337 2.240 0 40 DEAB CCn1nc(N)c(I)c1C(F)(F)F 72339494 ZNDGHERRQZUUJO-UHFFFAOYSA-N 305.041 2.109 0 40 DEAB COC(=O)[C@@]1(C)CCCN1C(=O)CCc1ccccc1OC 187631522 MITIGGYVJSSHIZ-QGZVFWFLSA-N 305.374 2.182 0 40 DEAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)c2cc[nH]n2)n1 72378575 ZFQVWWJJMHAKSK-OAHLLOKOSA-N 322.372 2.276 0 40 DEAB CNCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C 72224711 RPBUMCOKBUGGLT-UHFFFAOYSA-N 320.437 2.167 0 40 DEAB CC[C@@H](C)C(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386014 FYGHZRPBCUAJGW-BXUZGUMPSA-N 300.358 2.211 0 40 DEAB Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2c[nH]nn2)c1 133597014 OQJOJIMVSXJLJB-DZGCQCFKSA-N 300.362 2.233 0 40 DEAB Cc1cc(C)n(CCNS(=O)(=O)c2ccc(Cl)s2)n1 44159189 MGPNMEQUNXFCJZ-UHFFFAOYSA-N 319.839 2.193 0 40 DEAB C[C@H]1CCCN(C(=O)C2CCN(C(=O)N[C@H](C)C3CC3)CC2)C1 43842656 XJYJGEXFKLGIBA-UONOGXRCSA-N 321.465 2.465 0 40 DEAB CCN1CCN(C)C2(CCN(Cc3ccc(C)s3)CC2)C1=O 96050042 VLXMVRQNAQKWHQ-UHFFFAOYSA-N 321.490 2.185 0 40 DEAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccccn2)n1 96054041 NOWWFJYTRWGINQ-ROUUACIJSA-N 322.412 2.160 0 40 DEAB C[C@@H]1C[C@H]2CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@H]2O1 96045774 DBKJMCFNWCHYDR-PVXIVEMSSA-N 303.358 2.097 0 40 DEAB CC[C@](Br)([C@@H](O)C(C)(C)C)S(=O)(=O)CC 96521735 XCGYSNRYXCBTAR-WCBMZHEXSA-N 301.246 2.329 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1CN[C@@H]1CCCc2sccc21 90798870 XKTTZNMWQFWGED-DGCLKSJQSA-N 314.476 2.139 0 40 DEAB O=C(C[C@H]1NC(=O)c2ccccc21)NCc1nc2ccccc2[nH]1 96223893 ADYQQIBRUKNZBQ-OAHLLOKOSA-N 320.352 2.054 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](N)[C@H]2c2ccc(F)cc2)cc1 242548642 LQWDJTHPWRVSPY-OAGGEKHMSA-N 305.374 2.401 0 40 DEAB Nc1cccc([C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257266633 MDVFTUJPGPEZMJ-AWEZNQCLSA-N 304.781 2.286 0 40 DEAB CO[C@@H]1CN(CC(=O)Nc2c(C)cccc2C)C[C@]12CCCO2 257276757 NUZBTOWDDWXTQT-CRAIPNDOSA-N 318.417 2.122 0 40 DEAB CNc1nccc([C@H]2CCCCN2Cc2cnn(C)c2C)n1 257243530 IHKLBHDPSYJTLE-OAHLLOKOSA-N 300.410 2.287 0 40 DEAB Cc1ccnc([C@@H]2CN(C(=O)c3sc(C)nc3C)CCO2)n1 257254412 KCYGYYWFLIUXNK-LBPRGKRZSA-N 318.402 2.072 0 40 DEAB CCn1nccc1-c1cccc([C@H]2CCCN2C(=O)COC)n1 257297518 RHOYLAKGJQJXJT-OAHLLOKOSA-N 314.389 2.275 0 40 DEAB CC(C)N1CCC(c2cncc(N3C[C@@H](C)OC3=O)n2)CC1 257324561 WPGKDOSOKHJCEO-GFCCVEGCSA-N 304.394 2.410 0 40 DEAB CCc1noc(CCC(=O)N2CCCC[C@@H]2c2[nH]ncc2C)n1 257203197 APAHVXHAKQGKEO-GFCCVEGCSA-N 317.393 2.350 0 40 DEAB O=C(Cc1ccc(Cl)cc1)NCCCNc1ncccn1 42757201 FUMCTVRZQSPNDH-UHFFFAOYSA-N 304.781 2.291 0 40 DEAB O=C(CSc1nccn1C1CC1)N1CCO[C@H]2CCCC[C@H]21 53717123 OLPVDWWQMMMWBY-KGLIPLIRSA-N 321.446 2.480 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@@H]2CCSc3ccccc32)CC1 53492555 JKXIDJKSLCMWDS-CYBMUJFWSA-N 319.430 2.130 0 40 DEAB O=C(O)CCCCNC(=O)Cc1ccccc1Br 195542040 VGPAWYCQKHKEKT-UHFFFAOYSA-N 314.179 2.363 0 40 DEAB OC[C@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 95433509 CBTQEXUQLSGJHV-FZMZJTMJSA-N 314.223 2.187 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1cccc(Br)c1F 1083806396 URBDRSKDZYZNFV-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB O=C(c1cccnc1)N1CCC[C@@H](c2n[nH]c3ncccc23)C1 12221831 YKWDLHBENZEBFE-CYBMUJFWSA-N 307.357 2.373 0 40 DEAB COc1ccc(C[C@H]2C(=O)Nc3ccccc3C(=O)N2C)cc1 13429863 UOYDZPKQPOLDIR-INIZCTEOSA-N 310.353 2.331 0 40 DEAB biogenic,in-vitro Cn1nnc2c(SCC(=O)c3ccc(Cl)cc3)ncnc21 13532015 IFLUQTPVXJIAQN-UHFFFAOYSA-N 319.777 2.387 0 40 DEAB Cc1ncc(-c2ccccn2)c(CCNC(=O)c2ccccn2)n1 19286950 VTHFIJMRQYIORN-UHFFFAOYSA-N 319.368 2.215 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H](c2cnccn2)C1 607854966 VVHNBMJOZOVVAP-ZDUSSCGKSA-N 311.341 2.225 0 40 DEAB Cc1ccc(OC[C@@]2(O)CCN(Cc3cscn3)C2)cc1 643913738 FFOFZTUBPRBXMU-MRXNPFEDSA-N 304.415 2.467 0 40 DEAB CC(=O)Nc1ccc(C(=O)NCCN(C(C)C)C(C)C)cc1 10134180 IWIHEFZILLVQAB-UHFFFAOYSA-N 305.422 2.494 0 40 DEAB O=C(Cc1ccccc1Cl)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 240002233 PPSJJEYEQPUWQV-YUELXQCFSA-N 309.793 2.335 0 40 DEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ncnc3ccsc23)C1 1888897089 WBEAYFZWTRFAAZ-RYUDHWBXSA-N 324.409 2.477 0 40 DEAB CN1CC[C@@H]2NC(=O)COc3ccc(F)cc3CCCC[C@@H]2C1 2037989169 YFSIDJKPBFYBLB-ZBFHGGJFSA-N 320.408 2.367 0 40 DEAB CCc1ccc(S(=O)(=O)Nc2c(C)nc(OC)nc2C)cc1 585436207 YILHHMZBJOAUDW-UHFFFAOYSA-N 321.402 2.465 0 40 DEAB O=C(c1ccc2ncsc2c1)N1CC(Nc2cccnn2)C1 606440674 PDWJDSWKGASNKE-UHFFFAOYSA-N 311.370 2.023 0 40 DEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(C(=O)C(F)(F)F)C2 100015825 WVXOMOIVULPBGM-IUCAKERBSA-N 308.300 2.159 0 40 DEAB CCC(C)(C)C1CCC(NC(=O)CC[C@@H]2NC(=O)NC2=O)CC1 31172067 RKXAWKRQWHHYJS-BPCQOVAHSA-N 323.437 2.086 0 40 DEAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 40481402 SQGLTKOYIGEYMT-YRGRVCCFSA-N 314.385 2.137 0 40 DEAB CCOC(=O)c1cnc(SC)nc1Nc1cc(C)nn1C 383914 VKORIZCVHWKFKP-UHFFFAOYSA-N 307.379 2.161 0 40 DEAB O=S(=O)(NCc1ccco1)c1cnc(Cl)c(Cl)c1 347101 MJVVEHRYJDWUNF-UHFFFAOYSA-N 307.158 2.460 0 40 DEAB CC(C)CNC(=O)C[S@](=O)Cc1coc(-c2ccccc2)n1 69744548 IHEBZRHABZNBDW-QFIPXVFZSA-N 320.414 2.363 0 40 DEAB Cc1c(CNC(=O)c2cc(-c3cccs3)on2)cnn1C 2803194 XHCJXIODRXFSBZ-UHFFFAOYSA-N 302.359 2.375 0 40 DEAB Cc1ccc(NS(=O)(=O)c2c(C)nn(C)c2Cl)cc1O 76059537 MGOGIXWQQGIWDH-UHFFFAOYSA-N 315.782 2.197 0 40 DEAB COCCN1C(=O)C2(CCN(CC3CC3)CC2)c2ccccc21 105524848 MQRGJPMYPQTGEV-UHFFFAOYSA-N 314.429 2.423 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCN(C)C[C@H]1c1ccccc1 46763147 SHRWNLPIMRKGHI-KRWDZBQOSA-N 313.401 2.349 0 40 DEAB C[C@@]12CC3CC(C(=O)NCCN4CCOCC4)(C1)C[C@@](C)(C3)C2 100799681 AFAIYXKLJOBPAR-FTJRRQOFSA-N 320.477 2.431 0 40 DEAB CC(=O)CSc1nnc([C@H]2COc3ccccc3O2)n1C 21958471 SILFNCXLIMBONW-GFCCVEGCSA-N 305.359 2.009 0 40 DEAB CCS(=O)(=O)Nc1cnn(COc2cccc(Cl)c2)c1 2804030 USYMLTQXWDYFKI-UHFFFAOYSA-N 315.782 2.335 0 40 DEAB Cc1cc2c(cc1N)=N[C@@H](c1ccc(Br)cc1)N=2 103533548 PYJQTBYKKOSZNW-AWEZNQCLSA-N 302.175 2.291 0 40 DEAB OC[C@H](O)CSc1nc(-c2ccccc2)nc2c1CCC2 544038 GAWWRZRLRQHTSY-LBPRGKRZSA-N 302.399 2.078 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)Cn2ccccc2=O)o1 42001392 IJSUDDHXEWZRNZ-OCCSQVGLSA-N 300.358 2.223 0 40 DEAB CCc1nc(COC(=O)c2ccc(-n3cnnn3)cc2)cs1 22743651 WCSHIWNNOMMHMD-UHFFFAOYSA-N 315.358 2.038 0 40 DEAB CC1CCN(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)CC1 23017608 ISNHVNCUBQNYRT-GFCCVEGCSA-N 300.399 2.453 0 40 DEAB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1ccsc1 23219221 PTEQYAZAGPVWLK-CYBMUJFWSA-N 324.402 2.298 0 40 DEAB CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC[C@@H](O)C2)c1 47586140 MHMLWBLKYLGWLL-CQSZACIVSA-N 319.405 2.204 0 40 DEAB O=C(NCCO)NCc1nc(-c2ccc(Cl)cc2)cs1 42874224 UEXKKQAHXPYKFJ-UHFFFAOYSA-N 311.794 2.255 0 40 DEAB Cc1cnc2c(S(=O)(=O)NCC[C@H]3CCCO3)cccc2c1 24433573 BLUCUIJFGDRCHD-CQSZACIVSA-N 320.414 2.391 0 40 DEAB CCc1ccccc1O[C@H](C)C(=O)NCCCn1ccnc1 20050287 PGIXMLCNKXAIEB-CQSZACIVSA-N 301.390 2.419 0 40 DEAB COc1ccc(CC(=O)NCCc2ccco2)c(OC)c1OC 24590317 PUYGOAMMPMUADS-UHFFFAOYSA-N 319.357 2.207 0 40 DEAB Cc1cnc([C@H](C)NC(=O)Nc2cncnc2N(C)C)s1 97083100 BMGYUPCUTBPRSJ-VIFPVBQESA-N 306.395 2.190 0 40 DEAB CC(C)Cn1c(=O)[nH]c2ccccc2/c1=N\C(=O)NC(C)(C)C 101113633 RSVHWRNFUQSPLW-XMHGGMMESA-N 316.405 2.394 0 40 DEAB COc1cc2c(cc1OC)CCN(C(=O)[C@@H](C)SC)CC2 56462860 YELUYTXFYIYDFP-LLVKDONJSA-N 309.431 2.383 0 40 DEAB CCN1C[C@H](C(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1=O 56996819 ZXAWQMSNWJBJCY-MFKMUULPSA-N 322.792 2.148 0 40 DEAB CC[C@@H](C)OC(=O)CSc1nnc(-c2ccccc2)n1N 1789689 JXYUQMNODOKGLT-SNVBAGLBSA-N 306.391 2.093 0 40 DEAB COC[C@H]1CN(C(=O)NCc2cccc3ccccc23)CCO1 76085726 GBRNEOVZRQIEMP-MRXNPFEDSA-N 314.385 2.397 0 40 DEAB CCCNC(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507991 LXWYHBOYMBUDNN-UHFFFAOYSA-N 301.371 2.137 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1c(C)noc1C 69877691 ORONLJOENCWBPP-HOTGVXAUSA-N 305.422 2.309 0 40 DEAB CC[C@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)O)C1=O 57842156 LDRSYGNBBCBDKT-MRXNPFEDSA-N 304.346 2.052 0 40 DEAB CCN(CC)c1ccc(NC(=O)N[C@H](C)Cn2ccnc2)cn1 48172989 VFTPMZNXWVMNRJ-CYBMUJFWSA-N 316.409 2.335 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C)ccc2OC)C1 48235481 CWOCVXJYVCKYKZ-ZDUSSCGKSA-N 305.374 2.419 0 40 DEAB C[C@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)C[C@H](C)O1 48253400 HIRFLLAHDCUCOX-RYUDHWBXSA-N 321.352 2.397 0 40 DEAB CC(C)(C)OC(=O)NC(C)(C)c1noc(Cn2ccnc2)n1 58146977 IZINCWOKTLXNEM-UHFFFAOYSA-N 307.354 2.074 0 40 DEAB Cc1ccc(OCCN(C)CC(=O)Nc2cc(C)no2)cc1 44896584 GDFCITHBMNSQAS-UHFFFAOYSA-N 303.362 2.241 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)cnc21 78895074 JNTOHUZGFXLOTC-SWLSCSKDSA-N 315.421 2.034 0 40 DEAB CO[C@@H](CNC[C@@H]1CNc2cc(C)nn2C1)c1ccccc1 58294363 SHHSCVDUDCPEIY-ZBFHGGJFSA-N 300.406 2.211 0 40 DEAB CCCc1n[nH]c([C@H]2CN(CCc3scnc3C)CCO2)n1 78893265 JNLCCXDNRZNZKF-GFCCVEGCSA-N 321.450 2.138 0 40 DEAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)[C@H]1CCCO1 27879077 VVWVPGFSBMVBLK-SMDDNHRTSA-N 317.414 2.431 0 40 DEAB COc1c(CNCc2ccnc(N(C)C)c2)c(C(C)C)nn1C 58404280 NWFTUXZJLPXAMU-UHFFFAOYSA-N 317.437 2.303 0 40 DEAB Cc1cc2n(n1)C[C@H](CNC[C@@H](c1cccs1)N(C)C)CN2 58428884 KAVBEXNQIITJIV-KGLIPLIRSA-N 319.478 2.187 0 40 DEAB COC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 48383551 FDXXLDBOZDLWIV-QWHCGFSZSA-N 318.329 2.470 0 40 DEAB COc1ccc2nc(C(=O)N3CCN(C(C)C)CC3)ccc2c1 45522260 PINKINHUZDKIJC-UHFFFAOYSA-N 313.401 2.410 0 40 DEAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1CCOc1ccccc1 3594625 IUESUTULOVQDNH-LJQANCHMSA-N 322.364 2.459 0 40 DEAB O=C(NCc1noc(-c2ccccc2)n1)[C@H]1Cc2ccccc2O1 63486879 PFCDFBTXNMXTJS-OAHLLOKOSA-N 321.336 2.357 0 40 DEAB O=C1c2cccn2C[C@H]1[C@@H](O)c1cc[n+](Cc2ccccc2)cc1 8861936 PYXCABGPCXIUPQ-HKUYNNGSSA-N 319.384 2.370 0 40 DEAB CN1CCn2c(nc3cc(NC(=O)c4cccnc4)ccc32)C1 13736153 QKRYKGYEWBUQII-UHFFFAOYSA-N 307.357 2.129 0 40 DEAB NS(=O)(=O)c1cnc(N[C@H]2CCCc3ccccc32)s1 65493269 WMKYZPPNACQHRT-NSHDSACASA-N 309.416 2.280 0 40 DEAB CC(C)(C)c1cc(NC(=O)[C@@H]2COCCO2)n(C(C)(C)C)n1 65585986 ZVMMFKWTSCTUAF-NSHDSACASA-N 309.410 2.290 0 40 DEAB CN(C)C[C@H]1CCCCN1C(=O)COc1ccc2c(c1)CCC2 66948713 DPSSVDPQLXZTCD-QGZVFWFLSA-N 316.445 2.497 0 40 DEAB Cn1nncc1CNc1cnn(Cc2ccc(Cl)cc2)c1 90200250 IRYWGYQEAKHMDR-UHFFFAOYSA-N 302.769 2.325 0 40 DEAB COc1ccccc1OCC(=O)NC[C@@H](c1ccco1)N(C)C 15831450 XYGCDEZTAVFTIQ-ZDUSSCGKSA-N 318.373 2.086 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)nc1 9378810 JZFSJYXIBNIJMR-UHFFFAOYSA-N 303.749 2.412 0 40 DEAB C[C@@H](O)CN1CCN(CCOc2cccc3ccccc23)CC1 70037013 DKZSSEMKYYDYTB-MRXNPFEDSA-N 314.429 2.217 0 40 DEAB Cn1c(CNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 96223943 ZPZKWYHCGLZOEY-UHFFFAOYSA-N 323.400 2.495 0 40 DEAB CN(CC(N)=O)C(=O)c1cc2ccccc2n1Cc1ccccc1 71829189 GLWPEIRQWCILLD-UHFFFAOYSA-N 321.380 2.247 0 40 DEAB OCc1ccc(CNCc2cccc3c2OCCO3)cc1F 71825343 WTEGKVZGFSGZTG-UHFFFAOYSA-N 303.333 2.379 0 40 DEAB O=C(NCCOc1ccc(F)c(F)c1)NCCc1cccnc1 71882543 RIXNUIDTAGQOOP-UHFFFAOYSA-N 321.327 2.281 0 40 DEAB CO[C@H](C)C(=O)NCC1CCN(Cc2ccccc2F)CC1 71885785 MEZVAWDDIIMWOF-CYBMUJFWSA-N 308.397 2.189 0 40 DEAB Nc1nc(Cl)cc(N[C@@H]2CCN(c3ccccc3F)C2=O)n1 71900461 LXMSQDWQOPHDEP-SECBINFHSA-N 321.743 2.069 0 40 DEAB CN(Cc1ccco1)c1nc2c(cnn2-c2ccccc2)c(=O)[nH]1 71913850 SXPNXLKBOKFECI-UHFFFAOYSA-N 321.340 2.338 0 40 DEAB CCc1nnc2n1C[C@H](Nc1ncnc3ccsc13)CC2 97199284 KULJBYBCUUWVFS-SECBINFHSA-N 300.391 2.272 0 40 DEAB Cc1ccc(N2CCC[C@@H](NCc3cnc(C)s3)C2)nn1 95351564 KUIPCSUPJJPXPK-CYBMUJFWSA-N 303.435 2.309 0 40 DEAB C[C@H](Cc1ccco1)NS(=O)(=O)c1cncc(Cl)c1 95437249 HKGVBBSQBBZRDW-SECBINFHSA-N 300.767 2.238 0 40 DEAB CO[C@H]1CCCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 95410129 UMQPZQHYBNGTNN-LSDHHAIUSA-N 310.438 2.051 0 40 DEAB COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H]1O5 66407652 FQXXSQDCDRQNQE-MJXNMMHHSA-N 311.381 2.425 0 40 DEAB biogenic,in-man COCCCn1nnnc1Cc1ccc(Br)cc1 95939542 NEXJFYBLIQPODB-UHFFFAOYSA-N 311.183 2.063 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1 95980288 NTFBJCFVCUKNOO-LBPRGKRZSA-N 308.769 2.222 0 40 DEAB Cc1ncccc1C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 95991647 CYVJZCNFMCJDPL-KDJCLPLCSA-N 304.390 2.442 0 40 DEAB CC[C@H](c1ccncc1)N(CC)C(=O)[C@@H]1CCN(C)C(=O)C1 75143952 XUKJPZYIAZEIKY-HUUCEWRRSA-N 303.406 2.250 0 40 DEAB O=C(NCc1c(F)c(F)cc(F)c1F)NC1(CO)CCCC1 89762004 IETVQXZTLHCQFE-UHFFFAOYSA-N 320.286 2.347 0 40 DEAB COc1ccc(CCN2CCCN(C(=O)C3CC3)CC2)cc1 121440110 SOVBOXDBYXIZKJ-UHFFFAOYSA-N 302.418 2.182 0 40 DEAB COc1ccc(CNC(=O)c2cccnc2)c(OC)c1OC 74384452 FBFQFNPBVUAXES-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB CCn1ncc(CNC(=O)c2ccc(OC)c(OC)c2)c1C 32647637 GZJYGBGUHGZYFM-UHFFFAOYSA-N 303.362 2.159 0 40 DEAB Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCCCCC2)o1 72241101 BYGNUPSPMGGOKN-OAHLLOKOSA-N 304.390 2.482 0 40 DEAB COc1cncc(O[C@H]2CCCN(C(=O)c3ccsc3)C2)n1 225498380 QKZAOZWKADTDAO-LBPRGKRZSA-N 319.386 2.230 0 40 DEAB Cn1cc(NC(=O)CCn2ncc3c(Cl)cccc32)cn1 40759644 CIJLFTURCMMLFE-UHFFFAOYSA-N 303.753 2.452 0 40 DEAB Cc1cc(C(=O)NC[C@@](C)(O)c2ccc3c(c2)OCO3)c(C)o1 75155421 MBVXEFRUXHOKIW-QGZVFWFLSA-N 317.341 2.263 0 40 DEAB CCc1cnc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)o1 195572105 OZWZPKPCHOPHIJ-NSHDSACASA-N 323.418 2.459 0 40 DEAB CO[C@@H]1C[C@@H]2C[C@H](NCc3ccc(S(C)(=O)=O)cc3)C[C@@H]2C1 577720564 GBXRVLPKHLOVGN-GEEKYZPCSA-N 323.458 2.383 0 40 DEAB Cc1nc(C)c(C(=O)NCc2cccc3c2OCCCO3)o1 96482971 NFIWYSIUOPPHDY-UHFFFAOYSA-N 302.330 2.383 0 40 DEAB COC[C@@H]1CN(C)C[C@@]12CCN(Cc1ccccc1OC)C2 96220639 GMDDLPOGNOPVNQ-FUHWJXTLSA-N 304.434 2.095 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1Cc1ccc(CSC(F)F)o1 92042358 AKNMGDYRJLAUHC-JOYOIKCWSA-N 307.362 2.317 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)CCCS(C)(=O)=O)C12CCCC2 96419737 DCXVYWGJWMSVRA-ZIAGYGMSSA-N 303.468 2.091 0 40 DEAB O=C([C@@H]1CCC2(CCN(Cc3ccoc3)CC2)O1)N1CCCC1 96061225 AFJJKOXCZRVOSS-INIZCTEOSA-N 318.417 2.416 0 40 DEAB CCc1cccc(C)c1NCC(=O)NC1CCN(C(C)=O)CC1 96453333 RRMXHARCPOJPBW-UHFFFAOYSA-N 317.433 2.096 0 40 DEAB Cc1nc(CO[C@H]2CCOC3(C2)CN(C(=O)C2CC2)C3)cs1 248044424 PSWYIQIHIDWLTM-AWEZNQCLSA-N 322.430 2.138 0 40 DEAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H]1c1cnccn1 257274705 NMGMODRWTSTQKD-INIZCTEOSA-N 320.356 2.035 0 40 DEAB CN1CCC[C@H](Cc2cccc(N3CCC(O)CC3)n2)CC1 257269742 MRFAEMVRPDYHOG-HNNXBMFYSA-N 303.450 2.317 0 40 DEAB Cc1cc([C@@H]2CN(Cc3csc(C)n3)CCO2)nc(C)n1 257340391 ZFVGTPXIULVZEX-HNNXBMFYSA-N 304.419 2.432 0 40 DEAB Cc1nc([C@H]2CCCNC2)ncc1C(=O)NCc1ccccc1 257265607 LZKIMOMESJQCMO-HNNXBMFYSA-N 310.401 2.182 0 40 DEAB CC(=O)N1CCC[C@@H](c2ccc(C(=O)N3CCCC3)cn2)C1 257285489 PHJJJORBURAJEY-OAHLLOKOSA-N 301.390 2.044 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)O)CC2)cc1 263522758 IAZVLIPTGKBTHY-LSDHHAIUSA-N 303.358 2.086 0 40 DEAB CC(C)c1ccc(C(=O)NCCCN2CCCO[C@@H](C)C2)nc1 290513011 UBPVWAKJEJHUBI-HNNXBMFYSA-N 319.449 2.436 0 40 DEAB C[C@@H](Cn1cccn1)NC[C@H](O)c1cccc(Br)c1 49075824 UBTGEFJQULOZIJ-FZMZJTMJSA-N 324.222 2.357 0 40 DEAB Cc1cc(COC(=O)CCN2CCOC2=O)c2ccccc2n1 69967482 VHLZFENRONEHQV-UHFFFAOYSA-N 314.341 2.429 0 40 DEAB CC(C)(C)c1ccc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)cc1 74803126 NTPSAIFVDDBOMM-AWEZNQCLSA-N 300.402 2.477 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1C 102392846 USOISFVCHMNHFM-OKILXGFUSA-N 312.369 2.193 0 40 DEAB CCOC(=O)C1CCN(C(=O)COc2ccccc2C)CC1 13624463 MXBKVJJWUBRZKX-UHFFFAOYSA-N 305.374 2.176 0 40 DEAB CCCNC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 15912852 DZOVOBIOVHJVBG-VMPITWQZSA-N 313.300 2.371 0 40 DEAB COc1cccc(CN2CCC(O)(Cn3ccnc3C)CC2)c1 19287990 QJNVGQGSGZSQPU-UHFFFAOYSA-N 315.417 2.227 0 40 DEAB CCOc1ccc([C@H](C)N(C)C(=O)c2ccc(=O)n(C)n2)cc1 19532646 ZVOFHWJBIHCAQU-LBPRGKRZSA-N 315.373 2.012 0 40 DEAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 6326304 IPFQMVHUKUYRJA-JYRVWZFOSA-N 318.398 2.495 0 40 DEAB O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1ccc(F)cc1F 5258713 RVCGCSYDKAUSCL-CYBMUJFWSA-N 312.316 2.233 0 40 DEAB O=C([C@H]1CN(Cc2cc(F)cc(F)c2)CCO1)N1CCCCC1 1888844247 JOZWGBHYNJBVNO-MRXNPFEDSA-N 324.371 2.178 0 40 DEAB CCOC(=O)N[C@@H](C(=O)NCc1cc(F)cc(F)c1)C(C)C 30872039 HMMJOLXYQNLSDC-CYBMUJFWSA-N 314.332 2.352 0 40 DEAB O=C([C@H]1CCCO1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1776000687 FWMLPBQRJNUQSM-MRXNPFEDSA-N 311.385 2.476 0 40 DEAB O=C(c1cnco1)N1CCC[C@@]2(CCCN(CC3CC3)C2)C1 2056224879 CGGMEMKKLMNXDZ-QGZVFWFLSA-N 303.406 2.403 0 40 DEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)CC(C)C)C1 2055750680 QBXKUHGVCSYFFF-KRWDZBQOSA-N 321.396 2.001 0 40 DEAB O=C(Cn1cccc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575610338 KGAATHAPRWRSHD-GFCCVEGCSA-N 305.765 2.216 0 40 DEAB O=c1cc2c(nn1CC1CCN(CC(F)(F)F)CC1)CCC2 585503067 SQSIEINHDRVEDE-UHFFFAOYSA-N 315.339 2.006 0 40 DEAB CC(=O)OCC(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 585148135 MVLCAHCSOXQNTO-OAHLLOKOSA-N 319.382 2.128 0 40 DEAB Cc1nc(COc2ccccc2C(=O)NC[C@@H]2C[C@@H]2C)no1 40523803 AIYUMFRQIAHJIN-JQWIXIFHSA-N 301.346 2.343 0 40 DEAB O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H]1Cn1cccn1 100901574 HSZWXVXFVVLKJX-HIFRSBDPSA-N 324.384 2.000 0 40 DEAB Cc1cc(C)n(CNc2c(C)n(C)n(-c3ccccc3)c2=O)n1 97053 IGJSLOCSIATVMR-UHFFFAOYSA-N 311.389 2.367 0 40 DEAB C[C@@H]1CN([C@@H](CNCc2cnn(C)c2)c2cccs2)CCO1 75603983 JGGXLAIJZLWVOC-HIFRSBDPSA-N 320.462 2.033 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1Cc1nnc(-c2ccccc2)o1 2647717 GSAVXXXODYBGAM-UHFFFAOYSA-N 312.329 2.101 0 40 DEAB Cc1cc(N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)nc(C)n1 84114390 LRDNEJJHFMTDLP-QZTJIDSGSA-N 324.428 2.183 0 40 DEAB Cc1noc(C)c1CC(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 21493184 MNYGMSKYUDSHED-QMTHXVAHSA-N 308.378 2.072 0 40 DEAB COC(=O)[C@H]1[C@@H](C(=O)OCC(=O)c2ccccc2)[C@H]2CC[C@@H]1C2 4592853 XFUVBHSAVQVDEC-CLWVCHIJSA-N 316.353 2.248 0 40 DEAB C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)[C@@H]1CCCO1 46728442 QYVIGRPWWPNNMK-ZFWWWQNUSA-N 318.421 2.049 0 40 DEAB Cc1ccc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1C 7238878 VMSKMTPHBUPWIH-UHFFFAOYSA-N 318.398 2.132 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2cn3c(C)cccc3n2)cc1 32999838 RKEOBRKWZSRWFX-UHFFFAOYSA-N 323.352 2.359 0 40 DEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@H](C(=O)O)C1 41564999 JINRKKBYQYYDRV-UWVGGRQHSA-N 313.300 2.055 0 40 DEAB CC(C)(NC(=O)c1cccc(OC2CCCCC2)c1)C(N)=O 72291386 SMPQZLOCAGNPKT-UHFFFAOYSA-N 304.390 2.392 0 40 DEAB CC(=O)N1CCN(C(=O)Cc2c(C)[nH]c3ccc(C)cc23)CC1 24488068 BPFAUPRQOMACQV-UHFFFAOYSA-N 313.401 2.018 0 40 DEAB CCCS(=O)(=O)[C@H](C)C(=O)NCC1(c2ccccc2)CC1 55162947 HAOHRTYUZGWBQE-CYBMUJFWSA-N 309.431 2.048 0 40 DEAB C[C@H]1CCCCN1c1cc(C(=O)NC[C@H]2CCCN2C)ccn1 106178377 LGLYKUCWIPBZKP-GOEBONIOSA-N 316.449 2.284 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1 106661331 ALSHSQZXEMQYNU-DLBZAZTESA-N 318.417 2.403 0 40 DEAB CCn1cc(NC(=O)NCCN2CCCc3ccccc32)cn1 56500855 ITMVLOIXPMULIF-UHFFFAOYSA-N 313.405 2.477 0 40 DEAB Cc1ccc2[nH]c(=O)n(C3CCN(C4CCOCC4)CC3)c2c1 35310177 YTAGXFHCBLRULY-UHFFFAOYSA-N 315.417 2.454 0 40 DEAB in-vitro CN(C)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1F 72273182 PCMPJUWQYREDDK-UHFFFAOYSA-N 314.320 2.314 0 40 DEAB COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccc(NC(C)=O)cc1)C2 108496726 MGJUZQJCBQWIJW-MAUKXSAKSA-N 316.401 2.420 0 40 DEAB CCCc1nc2ccccc2c(C(=O)OCC(N)=O)c1CC 3312554 QARIJLFKPLFOLM-UHFFFAOYSA-N 300.358 2.392 0 40 DEAB C[C@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)NCc1ccco1 58282832 BXJFUIRAULHXKZ-LBPRGKRZSA-N 312.369 2.203 0 40 DEAB CCN(CC)C(=O)[C@@H]1C(=O)N(C)[C@@]2(C)C[C@H]1c1ccccc1O2 2129724 RRVBXHVFYDCHHE-DHSIGJKJSA-N 316.401 2.226 0 40 DEAB biogenic CCN(CC(=O)NC)C(=O)c1cnc(-c2ccccc2)s1 44942978 PKIZKOQHDCMKEF-UHFFFAOYSA-N 303.387 2.018 0 40 DEAB C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCO2)[C@H]1CCCO1 44971030 CEXDGIZJGPXZKF-WCQYABFASA-N 306.362 2.124 0 40 DEAB CCONC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 12765084 UTIGXXDUHOPLNI-UHFFFAOYSA-N 306.391 2.374 0 40 DEAB CC[C@H](CO)NC[C@H](O)Cn1c(C)c(C)c2cc(C)ccc21 28297066 MWEPLEOQGYZBIV-CVEARBPZSA-N 304.434 2.288 0 40 DEAB COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)cc1OC 13170275 LHPCZGNUMZFQFE-STMXVASLSA-N 319.357 2.040 0 40 DEAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C(N)=O)cc1 8394581 AKRMOWDAMRENIH-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)c1 69415729 ADYJAUXCGWQBAJ-AWEZNQCLSA-N 304.419 2.363 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCc1ccc(OC)cc1OC)C(=O)O 6440741 LUFXZELGPZHWKQ-HZMBPMFUSA-N 324.377 2.002 0 40 DEAB Cc1nnc(SCc2nnnn2-c2ccccc2)n1C1CC1 14182765 HCWVXIKZJKWGSM-UHFFFAOYSA-N 313.390 2.189 0 40 DEAB COc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)NC3=O)cc1 4626577 YLJPMBPCZQNTAC-CQSZACIVSA-N 306.325 2.313 0 40 DEAB COC(=O)CCc1ccc(NCC(=O)N2CCC[C@H](C)C2)cc1 69704813 NDHOCYVUPFPWKI-AWEZNQCLSA-N 318.417 2.463 0 40 DEAB CCn1cc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C)n1 6636827 IJVYRDWVDMMOCE-UHTWSYAYSA-N 307.394 2.280 0 40 DEAB Cc1csc2nc(SCC(=O)NC3CCCC3)[nH]c(=O)c12 4736602 PUMXJMYDNRIHJM-UHFFFAOYSA-N 323.443 2.444 0 40 DEAB CCn1c(S)nnc1-c1nn(-c2ccc(C)cc2)ccc1=O 5679296 DEHRBVPGHLIAFC-UHFFFAOYSA-N 313.386 2.108 0 40 DEAB CCNC(=O)CCN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 66844930 CDOLPPOSTZVANZ-CQSZACIVSA-N 314.788 2.379 0 40 DEAB C[C@@H]1CCCN1C(=O)CCN1CCN(c2ccc(F)cc2)CC1 72304010 KNESUNAQRKVRGR-OAHLLOKOSA-N 319.424 2.349 0 40 DEAB CC(C)(C)n1ncc2c(N3CCOC[C@H]3C3CC3)ncnc21 97376199 FRAOVQIYUQITFA-ZDUSSCGKSA-N 301.394 2.197 0 40 DEAB C[C@H]1C[C@@H]1NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 78878200 UHPCLQXNMBFANG-ONGXEEELSA-N 300.314 2.251 0 40 DEAB COC(=O)c1cc(OCc2ccccn2)cc(C(=O)OC)c1 95350388 FJVYHQSGGQKCFB-UHFFFAOYSA-N 301.298 2.234 0 40 DEAB CCOc1cc(Cl)ccc1CNC(=O)N1CCC[C@H]1CO 96483833 XHXNKOMURDGUCC-ZDUSSCGKSA-N 312.797 2.405 0 40 DEAB CCc1nc([C@@H](C)NC(=O)NCCCc2cnn(C)c2)cs1 71897759 BPSNYGLOKPWNRG-LLVKDONJSA-N 321.450 2.432 0 40 DEAB Cc1cnn(CCCNC(=O)N[C@@H](C)c2csc(C)n2)c1 71886656 FZNARYWYATWSHG-NSHDSACASA-N 307.423 2.407 0 40 DEAB O=C(N[C@H]1CCc2ccc(F)cc21)c1ccc2[nH]c(=O)[nH]c2c1 71882957 BJRLNVMDSDSDEV-ZDUSSCGKSA-N 311.316 2.413 0 40 DEAB O=C(N[C@@H]1CCc2c(O)cccc21)c1n[nH]c(=O)c2ccccc12 71898050 DXQZIYGHFTYECY-CQSZACIVSA-N 321.336 2.046 0 40 DEAB Cc1ccccc1OCCCN1CCC[C@H](N2CCNC2=O)C1 71841086 QNCRSGVCMYOKDB-INIZCTEOSA-N 317.433 2.254 0 40 DEAB CC1(C)CN(C(=O)NCCCCn2ccccc2=O)CCS1 83724920 ZGPKWNYSVTWFGT-UHFFFAOYSA-N 323.462 2.166 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](C)CC(=O)O 95425005 LGVOFSWVEFEREQ-LLVKDONJSA-N 309.410 2.068 0 40 DEAB C[C@@H](C(=O)Nc1cc(-c2nccn2C)n[nH]1)N1[C@H](C)CC[C@H]1C 95430467 WPUVSQCGQQWGMJ-UTUOFQBUSA-N 316.409 2.010 0 40 DEAB C[C@]1(C(=O)O)CCCN1CC(=O)Nc1ccc(F)cc1Cl 79488892 NMTADNKPIZJXLX-CQSZACIVSA-N 314.744 2.357 0 40 DEAB C[C@@H]1CC[C@@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)O1 95966884 NMXDHFYVJVOLLF-OLZOCXBDSA-N 312.410 2.023 0 40 DEAB Cc1ncn(C[C@H](C)NC[C@@H]2COc3ccccc3O2)c1C 89547592 CXOKLDUGMJCSCT-SWLSCSKDSA-N 301.390 2.318 0 40 DEAB CC(C)(CO)CCCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1 86407050 OYVBPHGMRCRQLI-ZDUSSCGKSA-N 308.426 2.097 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cn2)c(C)c1 69675504 IDZYVFSBZJYCJX-UHFFFAOYSA-N 324.333 2.117 0 40 DEAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(=O)N(CC2CC2)C1 75537542 OCQYETINJHROJY-VIFPVBQESA-N 312.291 2.301 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NC(C)C)c1 408593854 NRYICUMZOGGQFD-LBPRGKRZSA-N 312.435 2.210 0 40 DEAB O=C1Nc2ccccc2/C1=C1/NC(=O)N(Cc2ccccc2)C1=O 409206440 OJZKTXKXZRHAGN-PFONDFGASA-N 319.320 2.102 0 40 DEAB Cc1sc2nc([C@H](C)N3CCC[C@H](O)C3)[nH]c(=O)c2c1C 39486877 FDIUTMSSSLFGIW-ONGXEEELSA-N 307.419 2.119 0 40 DEAB Cc1ccc(C(=O)N2CCC(O)(c3cccnc3F)CC2)o1 72340062 YQHAVPBLXGQHMB-UHFFFAOYSA-N 304.321 2.246 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F 72227705 KZUCZINGVUUTEW-CVEARBPZSA-N 314.316 2.012 0 40 DEAB Cc1cccc([C@@H]2CCCCN2CCN2C(=O)CNC2=O)c1C 75999676 FKOMJDRDXAOVCL-INIZCTEOSA-N 315.417 2.382 0 40 DEAB CCNC(=O)CSc1nc(-c2ccco2)nc(C)c1C(C)=O 32902150 POQOUPGWOSFNEK-UHFFFAOYSA-N 319.386 2.476 0 40 DEAB CN(C)c1ncc(NC(=O)c2ccc(Br)o2)cn1 75161715 RZFHBFBQFPVNPY-UHFFFAOYSA-N 311.139 2.150 0 40 DEAB O=C1NC2(CCN(Cc3cccnc3)CC2)Oc2ccccc21 72347625 UFGZYTXUMZQWJZ-UHFFFAOYSA-N 309.369 2.196 0 40 DEAB CCC(=O)N1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1 72362217 PQMQUWAWQAKEAC-LBPRGKRZSA-N 312.377 2.126 0 40 DEAB CCn1c(SCc2ccc(-n3ccnc3)cc2C)n[nH]c1=O 194523828 HXFAYZJYVDJILR-UHFFFAOYSA-N 315.402 2.378 0 40 DEAB O=C(NCCCc1cnc2ncnn2c1)c1cccc(Cl)c1 225645089 KXJJADWNWIQZDL-UHFFFAOYSA-N 315.764 2.140 0 40 DEAB COCC(C)(C)N1CCN([C@H](C(=O)O)c2ccccc2C)CC1 571290669 GGVFMNJDMAQDPO-INIZCTEOSA-N 320.433 2.163 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2C)C1 45952714 VSAKLSKXKMRPPK-SECBINFHSA-N 312.163 2.283 0 40 DEAB O=C(N[C@@H](CCO)C1CCOCC1)c1cccc2c1CCC2 331725429 LXOAIDXIDYCZCO-KRWDZBQOSA-N 303.402 2.083 0 40 DEAB CCn1cc2c(n1)CN(C(=O)Cc1cccs1)C[C@H]2COC 96045185 CHOQWEWUAOQNOJ-LBPRGKRZSA-N 319.430 2.279 0 40 DEAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(C)c(C)o1 96186250 ODZKNBGHPXPTLI-HZPDHXFCSA-N 306.406 2.108 0 40 DEAB CC(C)C(=O)N1CC[C@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238779 DFYNFTXSSFQROZ-KRWDZBQOSA-N 304.365 2.437 0 40 DEAB C[C@H](NC(=O)Nc1ccc(C(C)(C)C)nn1)c1cnn(C)c1 96476189 HVVJHMQTGRTRTF-JTQLQIEISA-N 302.382 2.390 0 40 DEAB Cc1ccc(CN2CCO[C@H]3CN(Cc4nccs4)C[C@H]32)o1 96248787 LKMDXJWZJIITHQ-CABCVRRESA-N 319.430 2.130 0 40 DEAB CC[C@@H](CNC(=O)c1ccc(O)nn1)Oc1ccccc1Cl 96451829 CENNDKPENRYSLE-JTQLQIEISA-N 321.764 2.423 0 40 DEAB C[C@H]1CN(C(=O)C2CCN(Cc3ccco3)CC2)C[C@H](C)O1 91921485 MYFLXYLHDPJBBF-KBPBESRZSA-N 306.406 2.127 0 40 DEAB O=C1[C@@H]2CCN(C3CCC3)C[C@@H]2OCCN1c1ccccc1 96107130 BZBBEGOKARAPKW-SJORKVTESA-N 300.402 2.293 0 40 DEAB O=C(NCC(F)(F)F)N1CCC[C@H](c2nncn2C2CC2)C1 91627241 GTLHSIAMSZPWHQ-VIFPVBQESA-N 317.315 2.064 0 40 DEAB C[C@H](NC(=O)NCCc1ccc(F)cc1F)c1cnn(C)c1 96440156 OFORELWDWCQDJE-JTQLQIEISA-N 308.332 2.301 0 40 DEAB CCN(CCCN1CCCC1)C(=O)N[C@H]1C[C@H](C)O[C@H](C)C1 249040897 MYKUITGGAIKOJX-MUJYYYPQSA-N 311.470 2.460 0 40 DEAB COc1ccc(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)cc1 257213216 CGQCOTSVXUHVDK-WMZOPIPTSA-N 319.401 2.034 0 40 DEAB Cc1noc(C)c1-c1ccc([C@@H]2CCCN(C(=O)CN)C2)nc1 257206905 BFJZOXQPVNWNFW-CQSZACIVSA-N 314.389 2.018 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccc(OC)cc1 257278834 ODVUWJNAKFYFNV-WBVHZDCISA-N 316.401 2.273 0 40 DEAB Cc1nccnc1CC[C@@H]1COCCN1Cc1cscn1 257339306 ZBEKDVBZGIUQDS-CQSZACIVSA-N 304.419 2.075 0 40 DEAB CO[C@@H](C)CS(=O)(=O)Nc1ccc(C(=O)C2CCC2)cc1 252479223 BBPNAFLBSRQLCN-NSHDSACASA-N 311.403 2.446 0 40 DEAB CCO[C@H]1C[C@](O)(CNc2nccc(C(F)(F)F)n2)C1(C)C 276942318 QSCFVIWYAITLEY-GWCFXTLKSA-N 319.327 2.473 0 40 DEAB C[C@@H](NC(=O)N1CCSCC1)c1ccc2c(c1)OCCO2 43482220 HXTPTGWAOSCYGG-LLVKDONJSA-N 308.403 2.277 0 40 DEAB CCCC(=O)N1C[C@@H]2OC[C@H](CCOCc3ccncc3)[C@@H]2C1 575405998 WITUEPZOCVSVPO-ULQDDVLXSA-N 318.417 2.262 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575405744 ZRGMOLSSPHTBFN-BPLDGKMQSA-N 318.442 2.341 0 40 DEAB Cc1cc(COCC(=O)N(C)c2cnc3ccccc3n2)no1 1518218490 ZONCTYPDEXMTLJ-UHFFFAOYSA-N 312.329 2.106 0 40 DEAB CC(C)c1ccc(C(=O)N2CCN(CCC(=O)O)CC2)cc1 69434514 UTMLYMLYXZDLAS-UHFFFAOYSA-N 304.390 2.043 0 40 DEAB O=C(NCCCOC[C@H]1CCCO1)N1C[C@H]2CC=CC[C@H]2C1 73541627 JDMLZYRQEZBTDH-OWCLPIDISA-N 308.422 2.180 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)n1 69528778 QJGCMICSAYKJLJ-UONOGXRCSA-N 320.437 2.040 0 40 DEAB O=C(Cc1ccon1)NC1(c2ccc(F)cc2F)CCOCC1 89856010 WPXRPRJVVKAQPV-UHFFFAOYSA-N 322.311 2.317 0 40 DEAB NC(=S)Nn1c(CCC(=O)O)ccc1-c1ccc(F)cc1 5997118 OBBBOFHIMRVTKS-UHFFFAOYSA-N 307.350 2.099 0 40 DEAB CCc1n[nH]c(SCC(=O)Nc2nnc(C(C)C)s2)n1 5019023 BEJZEPFODALPOI-UHFFFAOYSA-N 312.424 2.073 0 40 DEAB O=C1NC(c2cccc(F)c2)=N/C1=C\c1ccc2c(c1)OCO2 5892417 LUPSJVBVLJUHDW-MLPAPPSSSA-N 310.284 2.472 0 40 DEAB C[C@@H](C(=O)NCCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 12114876 NTNSDGJIGUFOEJ-CYBMUJFWSA-N 321.384 2.329 0 40 DEAB Cc1c(C(=O)NC2CCCCC2)sc2ncn(C)c(=O)c12 14189668 MIGDHDZZBKLITQ-UHFFFAOYSA-N 305.403 2.366 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2CCOC2)CC1 1848740473 AMKQGNQGAZXZPN-LBPRGKRZSA-N 310.829 2.067 0 40 DEAB Cn1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cc1=O 30553537 ACRWNORBVCTOEI-UHFFFAOYSA-N 310.275 2.334 0 40 DEAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CC2)[C@@H]1CNC(=O)C1CCCC1 1775963793 CVNLKYGJLBYNMQ-DANNLKNASA-N 304.434 2.328 0 40 DEAB biogenic,in-vitro CN(C)c1ccnc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087128980 WVKZDRYZDCJGBA-CYBMUJFWSA-N 319.453 2.016 0 40 DEAB CCC(CC)CN1CCC[C@](C(=O)N(C)C)(n2cccn2)C1 2055772478 MTGRYJYLHVSBLD-KRWDZBQOSA-N 306.454 2.199 0 40 DEAB CC(C)N1C(=O)S/C(=C2\SC(=O)N(C(C)C)C2=O)C1=O 12289108 OHZZXZTZIKZURA-FPLPWBNLSA-N 314.388 2.406 0 40 DEAB CC[C@H]1c2ccsc2CCN1CCN1C(=O)NC(C)(C)C1=O 30224517 BNQKHNBRGJDOLS-LBPRGKRZSA-N 321.446 2.388 0 40 DEAB CCc1nc(C)c(C(=O)NCCNC(=O)c2ccccc2)s1 50310359 ORQLNBOTOGILDD-UHFFFAOYSA-N 317.414 2.174 0 40 DEAB O=C(Cn1ccccc1=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 40475643 CVNDWYBLLDYUDE-HNNXBMFYSA-N 322.368 2.088 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(=O)ccn2C2CC2)C1 69899041 VGUMOVRVMIVHEN-VXGBXAGGSA-N 321.446 2.175 0 40 DEAB CC(=O)Nc1c(Br)cc(Br)c(C)[n+]1[O-] 1577979 GNFJYWSZDOFIMW-UHFFFAOYSA-N 323.972 2.112 0 40 DEAB Cc1cc(Cl)ccc1OCCCC(=O)N1CC[C@@H](C(N)=O)C1 41128021 WTGVVLUWXAUJES-GFCCVEGCSA-N 324.808 2.141 0 40 DEAB COc1ccccc1NC(=O)Cn1nc(Cl)nc1Cl 4770997 JUCWEIXABFURQA-UHFFFAOYSA-N 301.133 2.232 0 40 DEAB CCCN1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 41283031 IWKPDJIKHQLQCI-UHFFFAOYSA-N 316.405 2.273 0 40 DEAB COc1ccc2cc(CNC[C@H]3CN(C)CCO3)ccc2c1 69384221 AYXUVVKJWNJPMK-SFHVURJKSA-N 300.402 2.269 0 40 DEAB CCOC(=O)[C@H]1S[C@@]2(C(F)(F)F)C[C@@]1(O)C(C)(C)CO2 102697437 GPTVOGPGALFQQS-PPKCKEKNSA-N 314.325 2.101 0 40 DEAB COCCCN(C/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 75612746 NXVRYXZEKMIIOB-HFTQHKIXSA-N 323.458 2.225 0 40 DEAB Cc1ccc(SCCNS(=O)(=O)c2ccccc2)nc1 52892361 RPSLGWBHZDYSLC-UHFFFAOYSA-N 308.428 2.461 0 40 DEAB C[C@H](NC(=O)NCCCn1ccnc1)c1nc2ccccc2[nH]1 54029442 ZCWVVMWAVZHJAP-LBPRGKRZSA-N 312.377 2.210 0 40 DEAB O=S1(=O)CCCN1Cc1ccc(F)c(Br)c1 42340557 STRCFECSXIOEEF-UHFFFAOYSA-N 308.172 2.124 0 40 DEAB O=C(Nc1nc[nH]n1)c1ccc(NC(=O)c2cccs2)cc1 23142153 PICIZCHKOVXVJP-UHFFFAOYSA-N 313.342 2.371 0 40 DEAB Cc1cccc(C)c1NC(=O)CN(C)c1ncnc2c1cnn2C 12485669 CZTVSGCKTPJGLX-UHFFFAOYSA-N 324.388 2.055 0 40 DEAB Cc1cnc(N2C[C@H]3O[C@H](C[C@H]3C(=O)Nc3ccccc3)C2)nc1 107264880 DKDNNCMTRZIFMG-BZUAXINKSA-N 324.384 2.017 0 40 DEAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCOCC1 24648242 NHDGJMQGXOKCPN-UHFFFAOYSA-N 319.329 2.048 0 40 DEAB S=C(NC[C@H]1COc2ccccc2O1)N[C@H]1C[C@@H]2CC[C@@H]1C2 103151454 GRGQVGNDBSEXTN-MQYQWHSLSA-N 318.442 2.479 0 40 DEAB CC[C@H]1CN([C@H](C)c2nc(C3CC3)no2)CCN1CCOC 106777246 USWGLHGSCKDTSJ-OCCSQVGLSA-N 308.426 2.051 0 40 DEAB C[C@H](O)CN(CC(=O)N[C@H](C)c1ccco1)C1CCCCC1 106772101 VNLJBMSTFRHBDY-UONOGXRCSA-N 308.422 2.472 0 40 DEAB CC(C)CC(=O)N1CCN(c2ncnc3ccsc23)CC1 43537044 QVUPPWBPDJHVMM-UHFFFAOYSA-N 304.419 2.386 0 40 DEAB O=C(COC(=O)c1ccc(Cl)nc1)NCc1ccccc1 3235214 RXOLPKHVJPZPJO-UHFFFAOYSA-N 304.733 2.208 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@H]1CCCO1 108356248 NRIKEQPJCFLNCF-DMRZNYOFSA-N 320.389 2.290 0 40 DEAB CCOc1cccc(S(=O)(=O)NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 108374445 IQIVDINUMCMMFS-HUBLWGQQSA-N 323.414 2.326 0 40 DEAB C[C@H](c1ccc(F)cc1)N(C)CCN1C(=O)NC(C)(C)C1=O 26910274 YQBTZNYKRPKOIR-LLVKDONJSA-N 307.369 2.149 0 40 DEAB CCSc1nc2[nH]c(CSc3ccccn3)cc(=O)n2n1 100071802 YAYLGRAYJSMNEX-UHFFFAOYSA-N 319.415 2.217 0 40 DEAB CCNC(=O)C1(NC(=O)/C=C/c2cccnc2)CCCCC1 58244740 BMMWXUFOBKKUIE-CMDGGOBGSA-N 301.390 2.050 0 40 DEAB C[C@@H](O)CN(CC(=O)NCCc1cccs1)c1ccccc1 58315997 PHYHFOHGAWPKDT-CQSZACIVSA-N 318.442 2.294 0 40 DEAB CONC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 58414041 CIQLGBBUVASJRS-UHFFFAOYSA-N 323.356 2.293 0 40 DEAB Cc1cc(C(=O)NCCn2nc(C)cc2C)c2c(C)noc2n1 36617449 RCYTVUCEVCCTOE-UHFFFAOYSA-N 313.361 2.083 0 40 DEAB C[C@@H](C(=O)NCc1ccc(N2CCCCC2)nc1)n1cccn1 48354423 CANCOAXINMJJHL-AWEZNQCLSA-N 313.405 2.146 0 40 DEAB Nc1nccnc1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69461324 RJEWKAFKLZDVII-KOLCDFICSA-N 322.290 2.364 0 40 DEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1nnc(-c2ccccc2)o1 408710746 YMLWDKQCMPHCTR-NZBPQXDJSA-N 321.336 2.044 0 40 DEAB COCCN(C)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 69571327 FZWMDINEYOCFIN-UHFFFAOYSA-N 317.389 2.480 0 40 DEAB CCOC(=O)C1=C(C)O/C(=C(/C(=O)OC)C(F)(F)F)S1 5067253 YIOQYYIGBWNHCI-UXBLZVDNSA-N 312.265 2.491 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)C[C@@H]2C=CCC2)CC1 69655918 NLWNVGOTBUGSKF-MRXNPFEDSA-N 316.449 2.294 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1c[nH]nc1-c1cccs1)CC2 69769804 BJUUALPHTVXYEG-LBPRGKRZSA-N 314.418 2.143 0 40 DEAB CC[C@@H](C)C(=O)NCC(=O)OCc1cc(Cl)c2nccn2c1 65554618 LHRPINRRPMXEDB-SNVBAGLBSA-N 323.780 2.193 0 40 DEAB Cc1ccc2nc(CN3CCC(c4cn[nH]c4)CC3)cc(=O)n2c1 65590178 XTGFMSLHJZKBDF-UHFFFAOYSA-N 323.400 2.106 0 40 DEAB CCN1CCN(C(=O)NCc2ncc(-c3ccccc3)o2)CC1 65606168 JOIIQBLWRKNOQP-UHFFFAOYSA-N 314.389 2.189 0 40 DEAB CN(C(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 4504657 XOODTVCBSIFKQJ-SECBINFHSA-N 322.213 2.253 0 40 DEAB Cc1cc(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)no1 6760431 VGBMAHZDCCNFLN-UHFFFAOYSA-N 307.693 2.183 0 40 DEAB Cc1ccc(-n2c(C)nnc2S[C@H](C)C(=O)N(C)C)cc1 6975591 RNFYSMZZQILSAJ-LLVKDONJSA-N 304.419 2.453 0 40 DEAB CNC[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 71145026 JSTSFVDJGQWZNB-SECBINFHSA-N 323.245 2.223 0 40 DEAB OC[C@@H]1CCCN(C[C@H](O)Cc2ccccc2C(F)(F)F)C1 110692303 ZCLYVVLYFOZDRE-TZMCWYRMSA-N 317.351 2.313 0 40 DEAB CC(C)(CNC(=O)Cc1ccccc1C(F)(F)F)C(=O)O 97036080 ZXPNPJOXXOACQV-UHFFFAOYSA-N 303.280 2.475 0 40 DEAB CC(C)Cc1ncc(CN2CCN(C(=O)N(C)C)CC2)s1 97032627 KDZFZQKTZMFISA-UHFFFAOYSA-N 310.467 2.141 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@H](C(N)=O)c1ccccc1 71876681 QWACPMGFXZEZFJ-RDJZCZTQSA-N 312.417 2.400 0 40 DEAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)Cn3cccn3)C2)c1 71910065 NTCSPECPJOHETK-AWEZNQCLSA-N 316.380 2.116 0 40 DEAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)CNC(=O)c1cc(C)oc1C 84081529 BEJIFBVXJMBIJL-UONOGXRCSA-N 324.446 2.369 0 40 DEAB C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H]1N(C)C 78896638 LYVQQNOZMLTGGT-NVXWUHKLSA-N 316.445 2.143 0 40 DEAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC2(C1)OCCO2 84367659 XPCQUOOCOSIOEH-UONOGXRCSA-N 322.792 2.354 0 40 DEAB COCCCCC(=O)N1CCN([C@@H](C)c2cccnc2)CC1 79353089 FUMVVVZIBBKBTB-HNNXBMFYSA-N 305.422 2.104 0 40 DEAB COc1ccsc1S(=O)(=O)N(C)Cc1scnc1C 95415298 BDCKFWDEBTTZSH-UHFFFAOYSA-N 318.445 2.342 0 40 DEAB COc1ccc(Cc2nnnn2CC[C@H]2CCCC2=O)cc1F 95407118 CSSKTUFRMVSWCK-GFCCVEGCSA-N 318.352 2.171 0 40 DEAB O=C([C@H](O)c1ccccc1)N1CCC(Nc2cccnc2)CC1 73292000 AQSHUSNADBQFCQ-QGZVFWFLSA-N 311.385 2.218 0 40 DEAB CC1(C)CN(C(=O)CCC(=O)c2cccs2)CC[S@]1=O 88207035 LKGHOXBHAMHBCQ-FQEVSTJZSA-N 313.444 2.081 0 40 DEAB CC(C)[C@]1(C)CC(=O)N(C[C@H](O)c2ccc(F)c(F)c2)C1=O 95960060 PXYMBRVIKBRJHK-BBRMVZONSA-N 311.328 2.419 0 40 DEAB Cn1cc(CCNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cn1 95954271 MGNUYYOPGCVJQO-RYUDHWBXSA-N 303.328 2.448 0 40 DEAB Cc1cccc(OC[C@H](O)Cn2cc(Br)cn2)c1 95974737 PLPKSDAXTRWZKA-GFCCVEGCSA-N 311.179 2.394 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)N(CC(C)(C)O)C(C)C)C1(C)C 95973337 UVTKLXHBMLUIRY-BLLLJJGKSA-N 300.443 2.381 0 40 DEAB Cc1cccn2c(=O)cc(Cn3ccnc3-c3ccccn3)nc12 95990857 OYPKBGJXXSTJTG-UHFFFAOYSA-N 317.352 2.310 0 40 DEAB COc1ccc([C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)cc1OC 75119562 ATKSNPOMDLWOHC-LLVKDONJSA-N 316.357 2.192 0 40 DEAB C[S@@](=O)c1ccc(CNc2cccnc2-n2cncn2)cc1 128867609 UVYHUSHYXIYFHW-QFIPXVFZSA-N 313.386 2.012 0 40 DEAB CCCN1C(=O)N/C(=C/c2c(OC)cc(OC)cc2OC)C1=O 409231816 KWKBVWDQDRDYCA-FMIVXFBMSA-N 320.345 2.015 0 40 DEAB CC(=O)c1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1 78926457 ZKZXWIOCSOMOHF-UHFFFAOYSA-N 314.307 2.209 0 40 DEAB CC(=O)N1CCC(C(=O)O[C@@H]2CCc3ccccc3C2)CC1 78446331 LAVPLSPECVYPMC-QGZVFWFLSA-N 301.386 2.346 0 40 DEAB COCCOC(=O)/C(C#N)=C/c1ccc(N2CCCC2)cc1 31643719 XMZPJOJZJMHCEH-NTCAYCPXSA-N 300.358 2.383 0 40 DEAB COc1cc(F)c([C@@H](C)NC(=O)c2cc(C)n[nH]2)cc1OC 79311070 VYHPZNOCEUYNBF-SECBINFHSA-N 307.325 2.365 0 40 DEAB CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 36367029 ONLZBHLXFTWTPX-NSHDSACASA-N 324.450 2.495 0 40 DEAB CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1cnn(CC)c1 73669709 FKOGNXWBUYDAFM-ZDUSSCGKSA-N 302.378 2.089 0 40 DEAB CN(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1Cc1ccco1 72239561 VZFXDJMXZTUIAH-AWEZNQCLSA-N 302.330 2.022 0 40 DEAB CNc1cncc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 72386160 HOHMEMPWARUYFW-CQSZACIVSA-N 324.450 2.318 0 40 DEAB COc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 40554304 CNGNRMHCNGPZKJ-LSDHHAIUSA-N 311.403 2.027 0 40 DEAB CCOc1cccc2[nH]cc(CCNC(=O)[C@@H]3CCCO3)c12 225596328 NZVPNDKAQOSNHC-HNNXBMFYSA-N 302.374 2.404 0 40 DEAB O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CC[C@H](c2nc[nH]n2)C1 529506303 KWJWEXJSEDGFNO-NWANDNLSSA-N 314.364 2.454 0 40 DEAB Cc1cc(C[C@H](C)NC[C@H](O)COc2ccc(Cl)cc2)n[nH]1 572274882 RBVXMIVTICNATE-NHYWBVRUSA-N 323.824 2.332 0 40 DEAB O=C(O)c1nn(-c2ccc(Br)cc2)nc1Cl 89263443 CHKMXIKKEODWCY-UHFFFAOYSA-N 302.515 2.381 0 40 DEAB Cc1ccccc1O[C@H](C)CNC(=O)Nc1cccn(C)c1=O 96435169 OYCDWBMJTYEMCM-CYBMUJFWSA-N 315.373 2.283 0 40 DEAB O=C(NCc1ccco1)[C@@H]1C[C@]12CCN(C(=O)c1ccccc1)C2 96227120 ZQRFGOCLKYRCHG-LPHOPBHVSA-N 324.380 2.448 0 40 DEAB O=C(c1ccccc1F)N1CC[C@]2(CCN2c2ncccn2)C1 96228708 AIIAEWZHNPIVIB-KRWDZBQOSA-N 312.348 2.111 0 40 DEAB c1ccc(C[C@@H](CN2CCOCC2)N[C@@H]2CCSC2)cc1 96477474 AIKYDCFRVJCOGT-SJORKVTESA-N 306.475 2.025 0 40 DEAB c1cc2c(cc1CN1CC[C@H]3[C@H]1CCN3CC1CC1)OCO2 96184395 HHTIYNUBOGDRRG-JKSUJKDBSA-N 300.402 2.474 0 40 DEAB CCS(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 97098428 ITNNYZCHUCYBOH-UHFFFAOYSA-N 308.407 2.326 0 40 DEAB O=C(NCc1cccs1)c1nc2c(o1)CN(CC1CC1)C2 96147287 JEEFRCGWTGNRRM-UHFFFAOYSA-N 303.387 2.392 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)Cc1nc(C(=O)O)cs1 580456951 YNAUJAVUOFNBAO-UHFFFAOYSA-N 320.370 2.245 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccc(C(=O)O)cn2)C1 96515914 LOAMTBKPNMLKOD-LBPRGKRZSA-N 321.377 2.273 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc4c(s3)CCC4)CCO2)n1 257318335 VNLQQCJGXCGYSZ-GFCCVEGCSA-N 317.414 2.482 0 40 DEAB CCCCN(C)CCNC(=O)N[C@H]1CCCC12CCOCC2 252490826 LCIGKVCXVBWGBX-HNNXBMFYSA-N 311.470 2.367 0 40 DEAB C[C@@]1(O)CCN(C(=O)c2cccnc2)C[C@H]1Oc1ccccc1 257249374 JHYZPDBJBMMVMI-SJLPKXTDSA-N 312.369 2.126 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCn2nc(C3CC3)cc2C1 390831020 PCZMDDYLBIJBOA-UHFFFAOYSA-N 319.368 2.360 0 40 DEAB Cc1nc(CN2c3cc(F)ccc3N(C)S2(=O)=O)cs1 575608232 JLGIQQQEMISWPD-UHFFFAOYSA-N 313.379 2.292 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2c(C)cnn2C)C1 585277747 OWMBHRLOLYVFRO-GOSISDBHSA-N 315.417 2.053 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)c3csc(C)n3)CC2)CN1C 585103537 JCABMFBMTKPCHW-ZDUSSCGKSA-N 323.462 2.024 0 40 DEAB CC[C@@H](C)N1C[C@@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O 585099300 CCQMDKBCFPDWRX-WBMJQRKESA-N 322.840 2.353 0 40 DEAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 57403193 XUYRLNRDRSBWOW-CYBMUJFWSA-N 321.852 2.438 0 40 DEAB COc1cc([C@H](C)NC(=O)C(F)(F)F)cc(OC)c1OC 58283547 YZCFOLHAHLUENS-ZETCQYMHSA-N 307.268 2.452 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)CCc2nc3ccccc3s2)C1 62118526 QNROYUBGTQIRCF-SNVBAGLBSA-N 304.371 2.162 0 40 DEAB NC(=O)[C@H]1CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 95433639 HCJAQCGMFUSFOQ-GFCCVEGCSA-N 314.307 2.271 0 40 DEAB COc1ccc(CCN2CCc3ncnc(N(C)C)c3C2)cc1 97201913 FRNNVYZSWWDYJJ-UHFFFAOYSA-N 312.417 2.152 0 40 DEAB O=C(C1CC1)N1CCC(c2cc(C(F)F)n3ncnc3n2)CC1 13265647 LSXKKFIUNKOXDP-UHFFFAOYSA-N 321.331 2.178 0 40 DEAB CC[C@H](c1nnnn1C1CCCCC1)N1CCN(CC)CC1 19500615 WOEXGRXAMDBOSN-OAHLLOKOSA-N 306.458 2.267 0 40 DEAB CCOC(=O)CS[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 101273874 IFCBCENYNYPYER-CYBMUJFWSA-N 321.398 2.232 0 40 DEAB CCCN1CCCc2cc(CCNS(=O)(=O)CC)ccc21 35588111 DZZFAQRMHABYLO-UHFFFAOYSA-N 310.463 2.331 0 40 DEAB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1cccc(Cl)c1 12765039 YPSJWGOKYHQAPZ-HNNXBMFYSA-N 315.760 2.074 0 40 DEAB CCN=c1ccnc(N2CCN([C@@H](C)c3ccccc3)CC2)[nH]1 1889128706 HNSBFYZCTJCGKK-HNNXBMFYSA-N 311.433 2.214 0 40 DEAB CONC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 25825029 CVNQDGSPVBFPDY-AWEZNQCLSA-N 312.369 2.370 0 40 DEAB COc1ccccc1CNC(=O)c1c(Br)cnn1C 28576711 QFVHGGJZURZYNO-UHFFFAOYSA-N 324.178 2.121 0 40 DEAB Cn1c(O)c(C(=O)NC2CCCCC2)c(=O)c2ccccc21 6557226 FKOMIGWHKGLVSR-UHFFFAOYSA-N 300.358 2.307 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccccn2)cc1S(C)(=O)=O 40549774 DBXCGXJHGGQDBY-GFCCVEGCSA-N 318.398 2.285 0 40 DEAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 51443383 DKAFCIYXHHHHQH-OAHLLOKOSA-N 317.433 2.131 0 40 DEAB CCOC[C@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2O)C1 81467729 KYOQGGROJAPTJS-LBPRGKRZSA-N 315.373 2.142 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccncc1)C(=O)O 4222931 ZJIFSVVQZMXKEI-INIZCTEOSA-N 306.362 2.478 0 40 DEAB CC(C)NC(=O)N1CCC[C@H](C(=O)NCCc2ccccc2)C1 32912959 QOUMWOBGZZSGCS-INIZCTEOSA-N 317.433 2.175 0 40 DEAB COCCNC(=O)[C@H](OC(=O)c1ccco1)c1ccc(C)cc1 4900545 QRNRHYNPKGMBFQ-OAHLLOKOSA-N 317.341 2.249 0 40 DEAB CCOc1ccc(N2C(=O)c3ccccc3S2(=O)=O)cc1 6355230 MUVIMURGHYWLLM-UHFFFAOYSA-N 303.339 2.434 0 40 DEAB C[C@H](OC(=O)C1=COCCO1)C(=O)c1c[nH]c2ccccc12 7655220 ADUSYAOGVOLUGA-JTQLQIEISA-N 301.298 2.171 0 40 DEAB COc1ccccc1N1C(=O)C[C@@H](N(O)c2ccccc2)C1=O 522468 MRQTVZBGUZCLOQ-CQSZACIVSA-N 312.325 2.223 0 40 DEAB CC(=O)Nc1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1 22511810 AZRFBTXSCWCEQG-UHFFFAOYSA-N 308.341 2.451 0 40 DEAB COc1cccc(C(=O)NC(=S)NNc2ccccc2)c1 9140636 TVNRVDSQROMRLU-UHFFFAOYSA-N 301.371 2.327 0 40 DEAB O=C(NCc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(CC2CC2)C1 60353424 MJZHNGJYPXUHOG-LBPRGKRZSA-N 324.783 2.354 0 40 DEAB Cn1cc(CNC(=O)N2CCC[C@H]2Cc2cccc(F)c2)cn1 54811584 IVBXMLFBSJXWOE-INIZCTEOSA-N 316.380 2.476 0 40 DEAB Cc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(C)cc2)cc1 1249151 CGVOFIXQPPAKLP-UHFFFAOYSA-N 322.320 2.387 0 40 DEAB Cc1ccc(C)c(CS(=O)(=O)Cc2ccn(C)c(=O)c2)c1 47317744 XZDXRCABCVYHIX-UHFFFAOYSA-N 305.399 2.117 0 40 DEAB COc1cccc(C(=O)Nc2nnc(N3CCCC3)s2)c1 1418520 OYUUAAWQOHZTIF-UHFFFAOYSA-N 304.375 2.399 0 40 DEAB COCCOc1cc(NC(=O)c2cnn(C)c2C)ccc1OC 25225597 FMUFRCSOIUEKDF-UHFFFAOYSA-N 319.361 2.015 0 40 DEAB C[C@@H](NC(=O)Nc1cccc(Cn2cccnc2=O)c1)C1CC1 47733178 XEGDBGWAYZGNKR-GFCCVEGCSA-N 312.373 2.212 0 40 DEAB C[C@H](NC(=O)CNc1ccc(C(N)=O)c(Cl)c1)c1ccco1 25738214 NUUMAHGMBMTBFR-VIFPVBQESA-N 321.764 2.321 0 40 DEAB C[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccccn1 26186080 OPTUEQQBKDFRLK-LBPRGKRZSA-N 313.357 2.413 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)N1Cc2ccccc2C1 77598545 QOURUDDUDHKIBI-AWEZNQCLSA-N 304.390 2.155 0 40 DEAB CCN(CC)C(=O)C1CCN(C(=O)c2ccccc2O)CC1 57557810 FMILVUWKVZWTQR-UHFFFAOYSA-N 304.390 2.113 0 40 DEAB CC(C)[C@H](CNc1ncnc2ccccc12)N1CCN(C)CC1 44406529 CDWDQDMWNBWORC-KRWDZBQOSA-N 313.449 2.314 0 40 DEAB CC(C)CCc1noc(CNS(=O)(=O)c2cccs2)n1 78774099 SKGZFCVJHDPWJC-UHFFFAOYSA-N 315.420 2.198 0 40 DEAB CN(CCCOc1ccccc1)C(=O)CCCCCNC(N)=O 58062950 IRRYYNPDGONIHV-UHFFFAOYSA-N 321.421 2.143 0 40 DEAB O=C(/C=C/c1ccco1)Nc1nc(CN2CCOCC2)cs1 58296631 YBRHEWYMIKBCTD-ONEGZZNKSA-N 319.386 2.220 0 40 DEAB COc1cccc(OC)c1OC[C@H](O)CN1CCCC[C@@H]1C 20806415 CLFCNMVBIRZSGE-UONOGXRCSA-N 309.406 2.318 0 40 DEAB N[C@H](CCCCC[P@@](=O)(O)CCc1ccccc1)C(=O)O 2139903 HXFOQPAMWAWQNR-CQSZACIVSA-N 313.334 2.472 0 40 DEAB biogenic O=C(O)[C@H]1CCCN([C@H](C(=O)O)c2c[nH]c3ccccc23)C1 36351191 UXFJCLGFSHHHSF-HZMBPMFUSA-N 302.330 2.090 0 40 DEAB CN1C(=O)[C@@H](C(=O)O)[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 36498849 JUWAKUBFCACRJR-LRCAOYNASA-N 301.342 2.222 0 40 DEAB Cc1cc(CNC(=O)c2ccc(-n3cnnn3)cc2)ccc1F 12752102 VVYRRENZAZTZRX-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CC(C)C(=O)NCCNC(=O)Cc1c(Cl)cccc1Cl 12812463 OCACJDFHTAXTFD-UHFFFAOYSA-N 317.216 2.424 0 40 DEAB CN(Cc1cccc(F)c1)C(=O)CNC(=O)c1ccccc1 12874687 GQMJZBPAVYNWLH-UHFFFAOYSA-N 300.333 2.214 0 40 DEAB CC[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2C1 3548549 OJEPKTGMVPRGDW-RKDXNWHRSA-N 324.402 2.003 0 40 DEAB O=C(O)CN(C(=O)c1sccc1Br)C1CC1 70162823 GAGSYXVWZKWBSR-UHFFFAOYSA-N 304.165 2.200 0 40 DEAB O=C(c1ccoc1)N1CCN(c2ncnc3ccccc23)CC1 26715752 NCBKWDYISYKBAG-UHFFFAOYSA-N 308.341 2.185 0 40 DEAB COc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1OC 6086824 BYNLWSQCYYODOI-UHFFFAOYSA-N 324.336 2.297 0 40 DEAB COc1ccc(-c2cc(=O)n(CCN3CCCCC3)cn2)cc1 22605173 GXCGADZYSODNGT-UHFFFAOYSA-N 313.401 2.405 0 40 DEAB Cc1nc(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)cs1 65413009 YPPXSZJFZPDWQB-CQSZACIVSA-N 308.451 2.221 0 40 DEAB CN1N=C(C(=O)N2CCCCC[C@H]2c2cccn2C)CCC1=O 65568774 VIIVMOBAXUWVCA-HNNXBMFYSA-N 316.405 2.077 0 40 DEAB CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H](O)C3)c2c1C 65590427 WYCBPIVBFIZFIM-SNVBAGLBSA-N 321.402 2.056 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](n2cccn2)C1 65608552 IESSLJAGXHRHJF-SWLSCSKDSA-N 315.421 2.201 0 40 DEAB COc1ccc(-c2nnc(CN[C@@H](C)Cn3cccn3)o2)cc1 65608501 QQHWYQTVUUQILE-LBPRGKRZSA-N 313.361 2.120 0 40 DEAB C[S@@](=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 14202860 GJEBBMOTNWBGAL-QFIPXVFZSA-N 317.366 2.083 0 40 DEAB CCCCNC(=O)[C@H](C(=O)c1ccccc1)n1ccccc1=O 4672537 QIEGJDPLTHXPTI-INIZCTEOSA-N 312.369 2.189 0 40 DEAB COCCCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 6807032 QJCFCFFVSFDHFO-UHFFFAOYSA-N 324.384 2.429 0 40 DEAB Cn1c(=S)[nH]c2ccc(I)cc2c1=O 5818725 KZPZLOJRXMAUEW-UHFFFAOYSA-N 318.139 2.201 0 40 DEAB COCc1nc(C)cc(N(C)C[C@@H]2COc3ccccc3O2)n1 80674885 ASIYHSXEMCXUNK-CYBMUJFWSA-N 315.373 2.208 0 40 DEAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(-n3cnnn3)c2)c1 7646194 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Cc1cc(C(=O)N2CCCCC2)ccc1N1CCCS1(=O)=O 95397991 YYLICPVHIXCTNW-UHFFFAOYSA-N 322.430 2.161 0 40 DEAB CCOC(=O)[C@H](C)CNS(=O)(=O)c1cccc(Cl)c1C 84791168 CHTUEKMKJAYDBJ-SECBINFHSA-N 319.810 2.126 0 40 DEAB C[C@@](NCc1ccno1)(C(N)=O)c1cccc(C(F)(F)F)c1 95408735 QMROZHBZZROWET-ZDUSSCGKSA-N 313.279 2.184 0 40 DEAB C[C@@]1(NC(=O)c2ccc(C(N)=O)cc2)CCc2ccccc2C1 95401927 QNIZLMCYOVRNLF-LJQANCHMSA-N 308.381 2.463 0 40 DEAB CCOc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1OC 84810552 OPMQAHURBBTMAP-MRXNPFEDSA-N 320.433 2.442 0 40 DEAB C[C@@H](C(=O)Nc1nnc(/C=C/c2ccco2)s1)n1cncn1 95979042 XVCHYJLQZVHDAP-MOVJSRMASA-N 316.346 2.093 0 40 DEAB Cn1cnnc1-c1ccc(NS(=O)(=O)CC2CCCC2)cc1 95990503 GSLRIXLNLHMURV-UHFFFAOYSA-N 320.418 2.414 0 40 DEAB Cc1ccc(C)c2sc(NS(=O)(=O)c3c[nH]cn3)nc12 95960543 CNGJAPKCLUQYLH-UHFFFAOYSA-N 308.388 2.437 0 40 DEAB CSCC[C@@H](C)NC(=O)N1CCCN(CC(F)F)CC1 95980808 WATWKCRPYHXZDF-LLVKDONJSA-N 309.426 2.110 0 40 DEAB COCC[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CO)C(C)C 95966625 LBFYNFGFHMMSQM-IRXDYDNUSA-N 320.433 2.349 0 40 DEAB Cc1ncsc1C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 89467434 FQIZKVMEZBVPRC-LLVKDONJSA-N 301.371 2.071 0 40 DEAB Cn1c(CN)nnc1Sc1nc(C(F)F)nc2ccccc12 75110061 LBFSTAIBYPJDLR-UHFFFAOYSA-N 322.344 2.306 0 40 DEAB C[C@@]1(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)CC1(Cl)Cl 89919227 YPKGJCLCPMDPTO-LBPRGKRZSA-N 312.156 2.446 0 40 DEAB CCOC(=O)Cc1nc(CCNc2cc(C)cc(C)c2)n[nH]1 62719044 COYDAMHGQCATTI-UHFFFAOYSA-N 302.378 2.182 0 40 DEAB CC(C)c1nc(C(=O)N2CCNCCC23CCOCC3)cs1 1551458498 JWIJROMRWODQIM-UHFFFAOYSA-N 323.462 2.251 0 40 DEAB Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2occc21 35315799 JFHQSDIAEFHTIG-UHFFFAOYSA-N 318.354 2.306 0 40 DEAB CSCc1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 72240352 LMRJGHCVXDCWBV-GFCCVEGCSA-N 301.433 2.007 0 40 DEAB C[C@H](NCCC(=O)N1CCOCC1)C(C)(C)c1ccc(F)cc1 185171628 RVIMVKGBTYTLQI-AWEZNQCLSA-N 322.424 2.330 0 40 DEAB COC(=O)c1ccc(-n2c(C)nc3ccc(OC)cc3c2=O)cc1 61968079 HZJZVVIPCWEXBW-UHFFFAOYSA-N 324.336 2.489 0 40 DEAB Cc1nc2c(s1)[C@@H](N(C)C(=O)COC[C@H]1CCCO1)CCC2 79093008 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324.384 2.222 0 40 DEAB CCN1C[C@H](C(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1=O 55864413 QIOQZUCYTFLSRQ-UKRRQHHQSA-N 304.365 2.358 0 40 DEAB COc1ccccc1CCNC(=O)c1nc(-c2ccccn2)no1 12408587 RESOYGGVHUIBQB-UHFFFAOYSA-N 324.340 2.113 0 40 DEAB Cc1cnc(-c2nnc(CNC(=O)Cc3ccccc3C)o2)cn1 19237127 YGDSJJBPFTVPLY-UHFFFAOYSA-N 323.356 2.002 0 40 DEAB COc1ccc(C)c2sc(N3CCN(C(C)=O)CC3)nc12 5182615 ZVXRMZKOWKQOOK-UHFFFAOYSA-N 305.403 2.282 0 40 DEAB CN(C)[C@H](CNC(=O)[C@@H]1CCOC1)c1cc2ccccc2o1 575609588 XPZBIDCLGJCVLY-ZIAGYGMSSA-N 302.374 2.188 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)COc1ccccc1C(N)=O 4341342 YCSPXBYGFPAUPR-GFCCVEGCSA-N 310.353 2.142 0 40 DEAB C=CC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1Cl 5525334 CQWYNLKMLFWBKG-UHFFFAOYSA-N 316.810 2.495 0 40 DEAB Cc1ccc(N2CC(N(C)c3nc4ccc(F)cc4o3)C2)nn1 1888879434 UHJXFUVOKCJLQD-UHFFFAOYSA-N 313.336 2.390 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC(COc2ncccn2)CC1 1775995912 NBSPQZZIRODWIV-UHFFFAOYSA-N 316.361 2.013 0 40 DEAB CCOc1ccc(N(C(=O)C(C)C)[C@H]2C=CS(=O)(=O)C2)cc1 5070941 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Cc1ccc(NC(=O)CCNC(=O)c2ccc3[nH]cnc3c2)nc1 69580964 NVIRSMOHYRWQCI-UHFFFAOYSA-N 323.356 2.025 0 40 DEAB NC(=O)NC(=O)CNc1ccc(F)cc1-c1ccc(F)cc1 69531300 FXNVVENVXWJVCH-UHFFFAOYSA-N 305.284 2.239 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)/C=C/c1ccc(OC)cc1 2626464 GXWLANNIMFRSEO-VIIAAUOXSA-N 323.414 2.119 0 40 DEAB C[C@@]1(c2ccc(Br)cc2)OC[C@@H](COC(N)=O)O1 2008605 QSUUSSJYBHNMHY-ZYHUDNBSSA-N 316.151 2.133 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1cccc2ccccc12 3851293 SEAHFCIVWJGXHU-UGUYLWEFSA-N 309.321 2.433 0 40 DEAB COc1cccc(NC(=O)CN(C)C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102374667 RXBPENPWWFCZRN-XEZPLFJOSA-N 314.385 2.304 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)N1C[C@H](C)C[C@@H](C)C1 32998020 JPAWSCBISHNELI-ZIAGYGMSSA-N 318.417 2.320 0 40 DEAB NS(=O)(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)nc1 481385 ZUUFZCASOATXJR-UHFFFAOYSA-N 317.292 2.491 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cccc(C)c1)C2 108533559 LXGCAWWMDVVDSA-CRAIPNDOSA-N 300.402 2.373 0 40 DEAB O[C@@]12C[C@@H]3[C@@H]4C[C@@H]5[C@@H]([C@H]41)C(Br)(Br)[C@H]2[C@@H]53 100019680 OOJNESNZJVMXNF-IARWDUHDSA-N 320.024 2.365 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1ccc2[nH]cnc2c1 22188850 PDNNZIMKMGXCOO-UHFFFAOYSA-N 323.356 2.047 0 40 DEAB O=C1CC2(CCN(C(=O)C3CC=CC3)CC2)CN1CC1CC1 108529816 MTXOCXHDXFBVIG-UHFFFAOYSA-N 302.418 2.204 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1ccccc1F)C2 69702786 AQTPMWFKTPVWNB-STQMWFEESA-N 314.364 2.126 0 40 DEAB CCN1CCC[C@@H]1CNC[C@@H](O)COc1c(C)cccc1C 22940622 XLADGMJAOJTUKK-IAGOWNOFSA-N 306.450 2.117 0 40 DEAB COc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100395177 QNIQQQCVACZBLR-IZKTWJBDSA-N 324.380 2.118 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C=C(C)C)cc1 24334661 OAWSVQCKHABOSA-UHFFFAOYSA-N 324.446 2.300 0 40 DEAB C[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H]1CCCO1 55088203 JGAFGSDMWIWTDS-JQWIXIFHSA-N 314.332 2.210 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)Cc1ccsc1 3219493 DMPXEWVLIXRXQG-UHFFFAOYSA-N 319.382 2.159 0 40 DEAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC[C@@H](C(=O)O)C1)CC2=O 1448423 YOFGYQIZDUGKMQ-LQAWEQHXSA-N 307.390 2.095 0 40 DEAB biogenic COc1ccc(NC(=O)NCCCn2nc(C)cc2C)cn1 48019539 YTGWBCNAENEQQS-UHFFFAOYSA-N 303.366 2.115 0 40 DEAB CN1CCC[C@@H](NC(=O)NCc2ccccc2N2CCCC2)C1 56752761 HNMSXIKRFGGBHN-MRXNPFEDSA-N 316.449 2.180 0 40 DEAB O=C(NCc1ccc(Br)cc1)c1ccc(=O)[nH]c1 44316812 QAYBNRHEXJTYCR-UHFFFAOYSA-N 307.147 2.067 0 40 DEAB Cc1cc(N[C@@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1 57827735 XHEVYNSJDQFDEB-ZDUSSCGKSA-N 311.389 2.270 0 40 DEAB Cc1nc2cc(C(=O)Nc3ccnc4ccnn34)ccc2n1C 72273363 BJZSDWIOUZFBKK-UHFFFAOYSA-N 306.329 2.177 0 40 DEAB Cc1cc(NC(=O)[C@H](C)[S@@](=O)Cc2ccccc2F)no1 58132411 WFTNQHPMAFQCIR-CHNSCGDPSA-N 310.350 2.398 0 40 DEAB CNc1nnc(SCCc2nc3ccccc3c(=O)[nH]2)s1 58159487 BGEKPDSEXZRVOV-UHFFFAOYSA-N 319.415 2.151 0 40 DEAB COc1ccccc1S(=O)(=O)N(C[C@H](C)O)c1ccccc1 58432058 ZJXIFEJIRQCHAO-ZDUSSCGKSA-N 321.398 2.271 0 40 DEAB CN(C)CCCn1cnc2c([nH]c3cccc(Cl)c32)c1=O 2224397 DYAXJCJUELNJSE-UHFFFAOYSA-N 304.781 2.483 0 40 DEAB Cc1ccc(F)c(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c1 12754699 SBLPIZOMGUCBFG-UHFFFAOYSA-N 303.337 2.406 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C[C@@H](C)O1 28655282 WSYWLFDMZCCQJM-AOOOYVTPSA-N 311.765 2.361 0 40 DEAB CC(C)(NCCCNS(C)(=O)=O)c1ccc(Cl)cc1 69973316 BFEKTLWHRDWRDZ-UHFFFAOYSA-N 304.843 2.104 0 40 DEAB CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O)c1ccc(C)cc1 4157278 VXQYZRWZVMFPSK-MDBPOYHNSA-N 324.380 2.113 0 40 DEAB Cn1cc(CNS(=O)(=O)/C=C/c2ccc(Cl)cc2)cn1 64965322 ABSUFZJJZCQOSL-VOTSOKGWSA-N 311.794 2.164 0 40 DEAB CCCN1C[C@]2(F)CN(Cc3cccc(OC)c3)C(=O)[C@]2(F)C1 306141513 VYTGBAIEBCFULH-DLBZAZTESA-N 324.371 2.180 0 40 DEAB CCCCS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1OC 14234055 LCRCNPZDHGIHJR-NSHDSACASA-N 301.408 2.484 0 40 DEAB CCN1C(=O)[C@]2(Cc3cc(C)ccc3N(C)C2)C(O)=NC1=S 9015952 INERCAQXPKRWLJ-INIZCTEOSA-N 317.414 2.077 0 40 DEAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC(N)=O)cc1C 6979328 IMNDEUNFJSSNOS-NSHDSACASA-N 318.402 2.165 0 40 DEAB CC[C@@H](C)NC(=O)c1sccc1NC(=O)c1cnccn1 67335448 VHBDVPDENYTVFS-SECBINFHSA-N 304.375 2.319 0 40 DEAB CNC(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@@H]2C)c1 7114977 KEVSIZRFTWVPLZ-ZDUSSCGKSA-N 323.396 2.436 0 40 DEAB CCOC(=O)[C@@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 16047157 DZURKTXEXKVOIH-GFCCVEGCSA-N 323.364 2.467 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NC1CC1 8035041 UWMYNMKNNPYCEU-UHFFFAOYSA-N 322.430 2.062 0 40 DEAB COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ncnn1C 91183273 LTEGUVXESCVRTJ-CYBMUJFWSA-N 315.377 2.063 0 40 DEAB C[C@H](OC(=O)CCC(=O)c1ccccc1)C(=O)NC(C)(C)C 16774544 PZFPTVTZXWATGC-LBPRGKRZSA-N 305.374 2.496 0 40 DEAB CC(C)(C)C[C@H](NC(=O)N1CCC(C(N)=O)CC1)C(F)(F)F 96497079 BXPOTADGHVCQOX-JTQLQIEISA-N 323.359 2.260 0 40 DEAB COCc1cc(NC[C@@H]2CCc3ccccc3N2)n2ncnc2n1 69581430 ZNYRMSHVEYCYIA-ZDUSSCGKSA-N 324.388 2.110 0 40 DEAB C[C@H](CC(=O)NS(=O)(=O)c1cccnc1)C1CCCCC1 69591003 OYVFMRRIAKGWQR-GFCCVEGCSA-N 310.419 2.493 0 40 DEAB Cc1ccc(CC(=O)N2CCN(c3nc(C)cs3)CC2)cn1 71819851 FVKXVKHYXXFPBS-UHFFFAOYSA-N 316.430 2.046 0 40 DEAB CCOc1ccc(CNC(=O)NC2CCC(O)CC2)cc1F 71879666 ATQCDFLWEVWKBR-UHFFFAOYSA-N 310.369 2.327 0 40 DEAB COc1cccc(SCC(=O)NC[C@H]2CCN(C3CC3)C2)c1 71821497 WFOPOCKXKXPSQB-CYBMUJFWSA-N 320.458 2.388 0 40 DEAB CCOCCC(=O)N1CCN([C@@H](C)c2ccccc2F)CC1 71896564 BSXRRIABLCFBLO-AWEZNQCLSA-N 308.397 2.458 0 40 DEAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)NCC(C)C 408583761 JTPNONFXTNRAKS-UHFFFAOYSA-N 312.435 2.068 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCc1ccccn1 83884503 YNUBKBVCDRPCGJ-GJZGRUSLSA-N 304.390 2.252 0 40 DEAB COC(=O)c1ccccc1NC(=O)c1cccc(-n2cncn2)c1 71908804 UDTJPPMYJIZNNB-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB O=S(=O)(Cc1ccccc1)c1nnc(N2CCCC2)s1 77536758 SSNOSSVGTHZLRC-UHFFFAOYSA-N 309.416 2.112 0 40 DEAB COC(=O)c1cccn2cc(COC(=O)C3CCCC3)nc12 95349040 CRHVAYOIGJVVEN-UHFFFAOYSA-N 302.330 2.354 0 40 DEAB CC(C)C[C@H](C)OCCC(=O)N[C@H](C)c1nnc2n1CCC2 95410108 DSNVURBDYQHKTG-QWHCGFSZSA-N 308.426 2.243 0 40 DEAB O=C(NC[C@H]1CCCO1)N(C[C@H](O)c1ccccc1)C1CC1 78999316 KSGRJSFQUTVYLI-CVEARBPZSA-N 304.390 2.073 0 40 DEAB CC(C)N1CCC(NCc2ccc(CS(C)(=O)=O)cc2)CC1 95967372 SEROVKRPWJKZAD-UHFFFAOYSA-N 324.490 2.194 0 40 DEAB CNc1nc(CNC(=O)Nc2nnc(C(F)F)s2)cs1 79062750 KWJULECPTVOKNO-UHFFFAOYSA-N 320.350 2.296 0 40 DEAB CNC(=O)[C@H]1CCCN(C(=O)NC[C@H](C)Cc2cccs2)C1 74627886 YWLFDOHQGLPRLZ-OLZOCXBDSA-N 323.462 2.094 0 40 DEAB O=C(NCC1(c2ccc(F)cc2F)CC1)N1CCC[C@H](O)C1 89243147 OLTUPNRMIVBAPB-LBPRGKRZSA-N 310.344 2.163 0 40 DEAB CCCCOc1ccc(/C=C/C(=O)NCCO)cc1OCC 62715291 HLSLDLUKRRUNMI-VQHVLOKHSA-N 307.390 2.386 0 40 DEAB CCN(Cc1cccc(F)c1)C(=O)COC(=O)c1ccno1 89969270 VBZQVDCRKVWRKY-UHFFFAOYSA-N 306.293 2.019 0 40 DEAB CC(=O)N1CCC(C(=O)O[C@@H](C)COc2cccc(F)c2)CC1 69668515 JDBNFZJJSHEQGZ-LBPRGKRZSA-N 323.364 2.395 0 40 DEAB Cc1cccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)c1 353746841 DTZZVAVLLYCUME-UHFFFAOYSA-N 311.433 2.173 0 40 DEAB CCN(CC)CCCNC(=O)[C@H](C)Cn1cc(Cl)cn1 32648238 FLBIGBGKHDUWHI-GFCCVEGCSA-N 300.834 2.021 0 40 DEAB CN(C)C(=O)c1cccc(Cn2c(CO)nc3ccccc32)c1 60429358 DDSMPTWJDYASRA-UHFFFAOYSA-N 309.369 2.279 0 40 DEAB O=C(C[C@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccnc1 32103344 JDUOBVJXFTWTHR-OAHLLOKOSA-N 302.717 2.148 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)Nc1cc(-c2ccncc2)n[nH]1 72256043 WOJOFOBIRVZVNM-UHFFFAOYSA-N 324.388 2.393 0 40 DEAB C[C@@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc(F)c1 189128151 QFIMJVNUVSOKMQ-ZDUSSCGKSA-N 314.426 2.120 0 40 DEAB CN(C(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCNC1 565479616 FTZLUAJZTYVNOY-QGZVFWFLSA-N 301.434 2.355 0 40 DEAB CCOc1ccccc1-n1nnnc1SC[C@H]1CCN(C)C1 187659356 PRDTXFJITOZIDS-LBPRGKRZSA-N 319.434 2.105 0 40 DEAB C[C@H]1C[C@H]1c1ccc(CN(C)C(=O)Cn2ccccc2=O)o1 42001398 IJSUDDHXEWZRNZ-GXTWGEPZSA-N 300.358 2.223 0 40 DEAB CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@H](C(=O)O)C1 566181140 GRYFFQHPCRWNFQ-TZMCWYRMSA-N 320.389 2.338 0 40 DEAB CCN(CC(=O)O)C[C@H]1CCCN1C(=O)OCc1ccccc1 79391546 VEXYKWZIOANGRU-OAHLLOKOSA-N 320.389 2.194 0 40 DEAB CCCCNC(=O)Cc1noc([C@H]2C[C@H]2c2cccnc2)n1 78773524 OIXYEPXMXGYHTP-STQMWFEESA-N 300.362 2.195 0 40 DEAB CN(C)C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 79361812 AAOFGOBNVCKFES-QGZVFWFLSA-N 302.418 2.243 0 40 DEAB Cc1csc(NC(=O)COc2cccc3c2NC(=O)CC3)n1 227158772 QONAQJQDUUJIGB-UHFFFAOYSA-N 317.370 2.354 0 40 DEAB O=C(Cc1cccs1)NC[C@@H](O)c1ccc2c(c1)CCO2 85558925 HIMYYSYISZXFJB-CQSZACIVSA-N 303.383 2.075 0 40 DEAB Cc1ccc(/C=C/CC(=O)N2CCS(=O)(=O)C[C@H]2C)cc1 84768231 NSCMPDPTKUCNMV-RDFMZFSFSA-N 307.415 2.044 0 40 DEAB CC(C)CCn1c(=O)nc2n1C(=O)N(c1ccc(F)cc1)C2 40287193 MGDIQMJGSCSNSW-UHFFFAOYSA-N 304.325 2.218 0 40 DEAB Cc1cc(C)n(-c2ccc(N[C@H]3CCN(C)C3=O)cc2F)n1 81154126 FTMLCTKQRZTSQE-AWEZNQCLSA-N 302.353 2.271 0 40 DEAB CC(=O)Nc1ccc(-c2ccc(N)c(S(=O)(=O)O)c2)cc1 222345435 BQBQROBASGOJII-UHFFFAOYSA-N 306.343 2.141 0 40 DEAB CCN(CC(=O)Nc1cccc(OC)c1)c1nnc(C)s1 225592914 AOZUKSDRZDZHNL-UHFFFAOYSA-N 306.391 2.320 0 40 DEAB CNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2)cc1 223286729 LUWPAOATMQJSLX-FMIVXFBMSA-N 316.382 2.247 0 40 DEAB COC(=O)C[C@@H](c1ccccc1)c1c(O)nc2ccccn2c1=O 96116604 UOOSTIJEBHIQSA-ZDUSSCGKSA-N 324.336 2.095 0 40 DEAB O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1ccncc1)CC(O)=N2 95478678 PFKMVHJZDAZGJW-LBPRGKRZSA-N 314.345 2.047 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(Cc1cccc(OC)c1)CC2 96421790 DMAHSPSVYCMKQC-SJORKVTESA-N 305.418 2.447 0 40 DEAB CN(C)c1ccnc(CNC(=O)c2c(F)cccc2Cl)n1 96121002 CJTJTBNXRXYPNL-UHFFFAOYSA-N 308.744 2.265 0 40 DEAB C[C@@H](CCn1cccn1)Nc1ccc(NS(C)(=O)=O)cc1 97234743 VLOWZPZICIDCKU-LBPRGKRZSA-N 308.407 2.145 0 40 DEAB CCOc1cccc(C(=O)N2CC3(C[C@H](OC)CCO3)C2)c1 247951982 MLUFIOYEFOPQCS-OAHLLOKOSA-N 305.374 2.105 0 40 DEAB C[C@]1(O)CN(C2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 257326351 WWXDVFUGWORSLG-IRXDYDNUSA-N 309.381 2.209 0 40 DEAB Cc1cnc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)cn1 257280619 OLPLUJXKKWCZNJ-KRWDZBQOSA-N 323.400 2.245 0 40 DEAB CN1CCCC[C@@H]2N(C(=O)COc3cccnc3)CCC[C@@]21C 257289965 QAYHZGZCLXRPIH-WMZOPIPTSA-N 317.433 2.326 0 40 DEAB COc1cnc(NS(=O)(=O)c2ccc(Cl)s2)nc1 252482923 DQHKEONSKIEPBJ-UHFFFAOYSA-N 305.768 2.001 0 40 DEAB CC(C)CCC(=O)N1CC2(C[C@@H](Oc3cnccn3)CCO2)C1 575403230 GWOOVKCHEPMWDI-AWEZNQCLSA-N 319.405 2.052 0 40 DEAB FC(F)(F)Cn1nnnc1-c1cccc(Br)n1 685938608 XFVJZJSGCTWICQ-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB CCN(Cc1ccccc1Cl)C(=O)c1ccc(=O)n(C)n1 69520740 HPULQFSDNCOOHI-UHFFFAOYSA-N 305.765 2.096 0 40 DEAB Cc1ccc(CNC(=O)[C@@H](C)NC(=O)CC2CCCCC2)cn1 69559451 NCXDKKZNTWFGAY-CQSZACIVSA-N 317.433 2.481 0 40 DEAB COc1ccc(CCCNC(=O)N2CC[C@H](C)[C@H](O)C2)cc1 93397929 IEDSDEFOYYJHCM-XJKSGUPXSA-N 306.406 2.040 0 40 DEAB O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)Nc1cccnc1 15436067 GKVVIGPMAXWIQD-UHFFFAOYSA-N 323.274 2.469 0 40 DEAB CCOc1cccc2sc(N3CCC(C(N)=O)CC3)nc12 1888903841 YKDSFCFVDUAZQS-UHFFFAOYSA-N 305.403 2.397 0 40 DEAB O=C1CN(c2nc(C3CC3)ns2)CCN1Cc1ccccc1 1889109356 XMYSPQYFRDTSKS-UHFFFAOYSA-N 314.414 2.264 0 40 DEAB CC(C)(C)c1nnc(COc2cccc(S(C)(=O)=O)c2)o1 40538772 IUXRMMFSHWWYQI-UHFFFAOYSA-N 310.375 2.350 0 40 DEAB COc1cccc([C@]2(O)CC(C(F)(F)F)=NN2C(C)=O)c1 49013 MKEDFDTTWNUOPC-GFCCVEGCSA-N 302.252 2.011 0 40 DEAB O=C(CCCc1ccccc1)NCC1(N2CCOCC2)CCC1 1775973794 OMHYKQDQCYHCJC-UHFFFAOYSA-N 316.445 2.380 0 40 DEAB COc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 2298064988 OKYVKAGEBRNJBT-UHFFFAOYSA-N 309.369 2.432 0 40 DEAB CCC[C@@H](C)N(C)CC(=O)NC(=O)NCCc1cccs1 30270058 MJNLLGLSARAEGE-GFCCVEGCSA-N 311.451 2.237 0 40 DEAB CC(=O)N1CCN(C(=O)CCCOc2ccccc2Cl)CC1 50535722 JVQJFDBZZZDQPO-UHFFFAOYSA-N 324.808 2.190 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)S(=O)(=O)Cc2ccccc2C)no1 40496763 AXIZSGMBLAULCG-GFCCVEGCSA-N 322.386 2.233 0 40 DEAB CCn1cnnc1CNC(=O)c1cc(C2CC2)nn1C(C)(C)C 40540989 SLYQORFGFPUAHV-UHFFFAOYSA-N 316.409 2.057 0 40 DEAB O=c1c2ccccc2cnn1C[C@H](O)c1ccc(F)cc1F 51289849 OZZPWSYEWJRGRQ-HNNXBMFYSA-N 302.280 2.408 0 40 DEAB C[C@H](OC(=O)c1ccc(=O)n(C)n1)c1ccc(F)c(Cl)c1 51412716 PNAQWFAKZLDKHW-QMMMGPOBSA-N 310.712 2.491 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3nccnc3N)C2)cc1 51462848 ZIPGBAGJLSJYAQ-HNNXBMFYSA-N 310.401 2.462 0 40 DEAB CN(Cc1nc(C2CC2)no1)C[C@H]1COc2ccccc2O1 29525675 YQCVRBRZQSONMZ-LBPRGKRZSA-N 301.346 2.219 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)n[nH]1 84110422 DOYARFVYAKFZEZ-CQSZACIVSA-N 301.394 2.101 0 40 DEAB CC(=O)c1cccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 411243 LBSVPKZWHRSONZ-UHFFFAOYSA-N 321.340 2.181 0 40 DEAB Fc1cc(CNC[C@@H]2CN(C3CC3)CCO2)cc(F)c1F 69847047 XKSGALNXKMORHQ-GFCCVEGCSA-N 300.324 2.057 0 40 DEAB c1ccc(Cn2nnnc2CN2CCc3sccc3C2)cc1 21420072 ZRZAHSHFCLOQDV-UHFFFAOYSA-N 311.414 2.341 0 40 DEAB C[C@H](Sc1nncs1)C(=O)c1ccc2c(c1)NC(=O)CO2 21475441 PUSIAOAWGFFCDI-ZETCQYMHSA-N 321.383 2.233 0 40 DEAB O=C(NCC(F)(F)F)c1cn(-c2ccc(Cl)cc2)nn1 32818111 LQEQOTFIDXVQHB-UHFFFAOYSA-N 304.659 2.213 0 40 DEAB O=C(NCc1ccccc1F)NC[C@H](O)c1ccccc1F 32826205 FLLHJEWJVAQYJZ-HNNXBMFYSA-N 306.312 2.498 0 40 DEAB O=C(CSc1nncn1-n1cccc1)Nc1cccc(F)c1 4518367 LFUMGTPTTKLCDN-UHFFFAOYSA-N 317.349 2.261 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCCO2 4907754 XYMYKVNTRJRNLZ-DGCLKSJQSA-N 318.373 2.091 0 40 DEAB NC(=O)COc1cccc(NC(=O)Cc2ccccc2Cl)c1 32905237 NEDYGRZWXWXSIT-UHFFFAOYSA-N 318.760 2.385 0 40 DEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1C2 10363180 LPSKIECRISIDMN-ZOWXZIJZSA-N 322.430 2.285 0 40 DEAB Fc1cccnc1O[C@H]1[C@H]2CC[C@H]1N(C1CCOCC1)CCO2 107722146 CTUYZKAKZIOJMW-BZUAXINKSA-N 322.380 2.010 0 40 DEAB Cc1nnc(S[C@@H](C)C(=O)NCCc2cccs2)n1C 8184865 ABBWQLZTGQOZCQ-VIFPVBQESA-N 310.448 2.025 0 40 DEAB FC(F)(F)c1nnc2ccc(NCCCOCC3CC3)nn12 23053345 XITMFBWFLFSZHH-UHFFFAOYSA-N 315.299 2.372 0 40 DEAB CCN1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831812 KDXHXIQYXJAXSM-YWTNHNAXSA-N 324.509 2.216 0 40 DEAB CN(C1CCCC1)S(=O)(=O)c1ccc2c(c1)OCCCO2 24707810 KKXZRUJETZEUPJ-UHFFFAOYSA-N 311.403 2.411 0 40 DEAB Cn1ccc(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 58265804 PZDNIVKAUSWYAM-CQSZACIVSA-N 316.380 2.410 0 40 DEAB O=C(NCc1nc2ccccc2s1)NC1CCC(O)CC1 44909824 GNFJSQCMGFPCPT-UHFFFAOYSA-N 305.403 2.399 0 40 DEAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](C)n2cncn2)cc1OC 44915903 BPELQJBZTJDUJU-VXGBXAGGSA-N 318.377 2.124 0 40 DEAB Cc1ccc(CNC(=O)Cn2cc(Br)cn2)cc1 58357018 AIFQMNJEPDEFMY-UHFFFAOYSA-N 308.179 2.270 0 40 DEAB CC(C)[C@H](C(=O)NC[C@H]1CCCO1)N1CCc2ccccc2C1 48274786 ZBDXRBBKVRSMQF-QZTJIDSGSA-N 316.445 2.365 0 40 DEAB NC(=O)Nc1cccc(C(=O)N2CCC(n3cccc3)CC2)c1 58423652 FHPYGKMGDRLZDF-UHFFFAOYSA-N 312.373 2.456 0 40 DEAB Cn1cnnc1SCC(=O)N[C@H]1CCCc2ccccc21 3395181 FLDAFTMDIPRLIP-ZDUSSCGKSA-N 302.403 2.101 0 40 DEAB CCc1nnc(NC(=O)C[C@@H](NC(C)=O)c2cccs2)s1 11474585 DEODYXHCYBMIGH-SECBINFHSA-N 324.431 2.368 0 40 DEAB Cc1c(-c2ccccc2)oc2c(C(=O)NCCO)cccc2c1=O 12895520 PMIXTRZLOQRROF-UHFFFAOYSA-N 323.348 2.491 0 40 DEAB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)cc1 71859397 PPCXPVPTQGGFIR-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB Cc1cccc(-c2nnc3s/c(=C\c4ccco4)c(=O)n23)c1 3651631 WGDLICPJLRJBLR-LCYFTJDESA-N 309.350 2.267 0 40 DEAB CC1(C)NC(=O)N(CCSCCOc2ccccc2)C1=O 13021301 GFCAIGXIKCLNFU-UHFFFAOYSA-N 308.403 2.129 0 40 DEAB Cc1cc(NC(=O)COc2ccc(-c3noc(C)n3)cc2)no1 8752641 JPUXJNYKQQROFC-UHFFFAOYSA-N 314.301 2.359 0 40 DEAB CCSCCC(=O)NCCNC(=O)c1ccccc1Cl 49250535 LMUGVYCSUIMMOW-UHFFFAOYSA-N 314.838 2.329 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cnn(C)c2)no1 71841343 PCZMTIGLLSHKPJ-IPYPFGDCSA-N 300.362 2.184 0 40 DEAB CCN(CC)CC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 63746228 RZVOLMBAWBIQAU-UHFFFAOYSA-N 307.369 2.233 0 40 DEAB CCCNC(=O)CCc1nc(-c2ccc(OC)c(OC)c2)no1 4384101 MBGQWRBECYHGIR-UHFFFAOYSA-N 319.361 2.213 0 40 DEAB biogenic O=C(Cn1c(-c2ccccc2)noc1=O)N1CCc2ccccc21 65723179 GMFNWNVXVJLZBF-UHFFFAOYSA-N 321.336 2.093 0 40 DEAB Cc1cccc(OC[C@@H](O)CNc2nn3cc(C)nc3s2)c1 66387327 QDXDNZGNVYXXPU-LBPRGKRZSA-N 318.402 2.259 0 40 DEAB CN1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)n1 15250576 IZOUYBPCGGMYPH-MRXNPFEDSA-N 305.341 2.464 0 40 DEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1cccc(F)c1 7046797 NNNRCGQSASOQTH-UHFFFAOYSA-N 318.348 2.474 0 40 DEAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)S(C)(=O)=O 9235206 DDSXNHJEYPNBQN-UHFFFAOYSA-N 322.430 2.398 0 40 DEAB CCO[C@H](C)C(=O)N[C@](C)(CNC(=O)OC(C)(C)C)C(C)C 71905572 OPTXCCYRTRCSMV-MLGOLLRUSA-N 316.442 2.467 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2cccc(OC)c2)CC1 68487880 ICACZQJDODOZKW-UHFFFAOYSA-N 314.389 2.326 0 40 DEAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(N)=O)c1C 17032480 KLQFRFLJQSSTJK-UHFFFAOYSA-N 312.391 2.317 0 40 DEAB Cc1nc(-c2cccnc2)nc(N2CCC[C@H](C(=O)O)C2)c1C 70452375 GQMRVSHYUVVPTF-AWEZNQCLSA-N 312.373 2.456 0 40 DEAB O=c1[nH]c(CNc2ccc3c(c2)OCO3)nc2ccsc12 9647096 DHOXXSURHPTBFF-UHFFFAOYSA-N 301.327 2.325 0 40 DEAB NCCCOC1CCN(C(=O)Cc2cccc(Cl)c2)CC1 94071250 QUTIBUNGQHZRRS-UHFFFAOYSA-N 310.825 2.239 0 40 DEAB CCO[C@H]1C[C@@H](Nc2ccc3nnnn3n2)C12CCCCC2 72296187 BSCGZALFQMRDDK-NEPJUHHUSA-N 302.382 2.059 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1ncnc2c1CCC2 72268345 GYGPZGUCZCHZFU-HOTGVXAUSA-N 314.433 2.335 0 40 DEAB O=C(COCCc1ccccc1)N1CCC[C@@H](c2ccn[nH]2)C1 72282977 ZNFFCWYGHDWPFI-MRXNPFEDSA-N 313.401 2.375 0 40 DEAB Cc1cc(NC(=O)NCc2cccnc2)ccc1C(=O)N(C)C 78869661 ZYVLJCYEQKIDHR-UHFFFAOYSA-N 312.373 2.414 0 40 DEAB Cc1cnc([C@H](C)CNC(=O)Nc2nnc3ccccn23)s1 97375021 QHKCDXOQQVLMCY-SECBINFHSA-N 316.390 2.419 0 40 DEAB CC(C)CCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 23132688 KMWJVSCKUZONAW-SUMWQHHRSA-N 323.437 2.040 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)Nc1scnc1C(C)(C)C 95407658 PUBYKMVAIXCZSY-VIFPVBQESA-N 308.411 2.242 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCN([C@H](C)c2cccc(F)c2)CC1 95996133 SGIVMFYVSYMEOQ-CJNGLKHVSA-N 307.413 2.014 0 40 DEAB C[C@@](O)(CNC(=O)N[C@H](c1nccs1)C1CC1)c1ccco1 74709169 YNEAALJNBSDMLS-SWLSCSKDSA-N 321.402 2.394 0 40 DEAB CS(=O)(=O)CCC(=O)Nc1cc(-c2ccccc2)ns1 74952201 CPQURZXAJVETNI-UHFFFAOYSA-N 310.400 2.183 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nc(C2CC2)no1 75133604 YGDJPZPMWNXDDD-KGLIPLIRSA-N 318.421 2.312 0 40 DEAB Cc1cc(C)c(CNc2cc(C(C)C)nc3ncnn23)c(=O)[nH]1 75119418 YZBOBRXEPCSNLB-UHFFFAOYSA-N 312.377 2.165 0 40 DEAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2ccoc2)c1 89847422 TWYPIXIFGMIXRZ-HNNXBMFYSA-N 310.353 2.440 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)CC 36067508 ZXXXWDHBAHQZFH-VXGBXAGGSA-N 324.446 2.316 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)cc1Cl 79029062 WWLIRZKQDKJAAD-LBPRGKRZSA-N 312.797 2.110 0 40 DEAB O=C(Nc1ccccc1N1CCCC1=O)N[C@@H]1CCCC[C@H]1O 186000511 BJXNDCOBYAMJNB-UKRRQHHQSA-N 317.389 2.238 0 40 DEAB C[C@H](Cn1cncn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 195558495 DGRISPGISYBDGT-KGLIPLIRSA-N 323.441 2.046 0 40 DEAB CSCC[C@](C)(O)CNC(=O)COc1ccc(Cl)cc1 75157482 BCESQZCJDLUQBA-AWEZNQCLSA-N 317.838 2.339 0 40 DEAB CCc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)o1 46435201 MBENJWMCFKYIPZ-UHFFFAOYSA-N 304.390 2.317 0 40 DEAB CC1(C)C[C@H]1C(=O)N1[C@@H]2C[C@H]3CC[C@@]2(CS1(=O)=O)C3(C)C 195556315 QUVJMVGTHYNJIV-JBBSTSQOSA-N 311.447 2.399 0 40 DEAB NCCCCCS(=O)(=O)c1ccc(Br)cc1 82790245 BJECWXUBMVCHCK-UHFFFAOYSA-N 306.225 2.352 0 40 DEAB c1coc(CN2CCO[C@]3(CCCN(c4nncs4)C3)C2)c1 96074897 MHKMWFWGTUKPDS-OAHLLOKOSA-N 320.418 2.003 0 40 DEAB CN(Cc1ccccc1F)C(=O)NCCOC[C@@H]1CCCO1 96406897 WUCAJUWPWCZNCD-AWEZNQCLSA-N 310.369 2.163 0 40 DEAB c1coc(CN2CC[C@]3(CCC[C@H](CN4CCOCC4)O3)C2)c1 96218962 CYMDEWUYSBCGPB-QZTJIDSGSA-N 320.433 2.125 0 40 DEAB O=C(c1ccco1)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 96073901 VDGBSCIMJKXEMT-CZUORRHYSA-N 301.346 2.113 0 40 DEAB C[C@H]1C[C@H]2CN(S(=O)(=O)c3cc(F)cc(F)c3)CC[C@H]2O1 96043576 IEFWVTHKNRXLEU-PKFCDNJMSA-N 317.357 2.153 0 40 DEAB CCN(CC)C[C@@H]1CN(Cc2ccco2)Cc2nccn2C1 96086775 RQGOAXUXLLFFJV-OAHLLOKOSA-N 302.422 2.450 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc(F)c(Cl)c2)[C@H]1O 257285153 PFWOMNDMKAJNIB-MGPQQGTHSA-N 315.772 2.480 0 40 DEAB CCCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2C)n[nH]1 252486450 KBMWXDQQUWJHFQ-XBFCOCLRSA-N 318.421 2.338 0 40 DEAB Cc1cncc(O[C@H]2CCOC3(C2)CN(Cc2ccco2)C3)n1 253601039 HSHVENSGZZIDDR-AWEZNQCLSA-N 315.373 2.190 0 40 DEAB O=C(NCc1cccs1)N1CCC[C@H](Oc2ccncn2)C1 575605185 NOOWLRKODMEMGG-LBPRGKRZSA-N 318.402 2.291 0 40 DEAB CN(Cc1ccc(Br)cc1)C(=O)Cn1ccnc1 72958075 HZWMDBXCYGKJQT-UHFFFAOYSA-N 308.179 2.304 0 40 DEAB CCOC(=O)[C@@H]1C[C@@H](C(=O)OCC)c2nc3ccccc3nc21 1747880 PENXEOMZUBNSPZ-GHMZBOCLSA-N 314.341 2.327 0 40 DEAB COc1cc(N[C@@H]2CCCN(Cc3cccs3)C2)nc(N)n1 1529167943 RXWJGZSWFRRMCD-LLVKDONJSA-N 319.434 2.205 0 40 DEAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(Cl)c(Cl)c2)N1 5818892 HQUDGNCRBVPFLW-WDEREUQCSA-N 312.156 2.405 0 40 DEAB COc1ncc(CN(C)Cc2cc(O)nc3ccccc23)cn1 12188453 XNTFKXPNLDCCKD-UHFFFAOYSA-N 310.357 2.371 0 40 DEAB CCCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)NC1=S 14196629 WPBCCILDIUIHDR-FMIVXFBMSA-N 318.398 2.316 0 40 DEAB C[C@H]1Oc2ccc(NC(=O)c3ccn(C(F)F)n3)cc2NC1=O 19462220 CDRCKCKWQXNGFU-SSDOTTSWSA-N 322.271 2.250 0 40 DEAB COc1ccc(CCNC(=O)c2cnn3cc(C)cnc23)cc1C 19571374 SJHAREJMMVCIHK-UHFFFAOYSA-N 324.384 2.327 0 40 DEAB CCOC(=O)N[C@@H](CNC(=O)CCc1cccnc1)CC(C)C 36397202 CNRAWAJNALTHFF-OAHLLOKOSA-N 321.421 2.291 0 40 DEAB O=C(CCc1ccccc1)NCCn1cc(Br)cn1 28240397 MXTQMWLQEIWFFR-UHFFFAOYSA-N 322.206 2.395 0 40 DEAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCOCC1 38832725 PBIMCSUCZNLMJD-HNNXBMFYSA-N 322.836 2.411 0 40 DEAB CC(C)N1C(=O)OC[C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]21 2037983917 KXCMOERSRHPUOX-CABCVRRESA-N 317.389 2.163 0 40 DEAB O=C(Cc1cccs1)NCCN1CCc2ccccc2C1 30363459 SGOMOHNKKZGTCE-UHFFFAOYSA-N 300.427 2.465 0 40 DEAB CC[C@@H](C)C(=O)NCc1ccc(CN2CCN(CC)CC2)cc1 40115242 NRYPCAQTDPUNIV-MRXNPFEDSA-N 317.477 2.486 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)c1cc(Cl)c(Cl)n1C 31401757 OSIIRRXNICFQLP-MRVPVSSYSA-N 301.177 2.347 0 40 DEAB Cc1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1C 40539061 JCWKPUAIJCMFQH-UHFFFAOYSA-N 316.445 2.488 0 40 DEAB COC(=O)c1ccc(CN2C(=O)C(Cl)=C(Cl)C2=O)cc1 115328 BKXUCBCUOKKZDM-UHFFFAOYSA-N 314.124 2.031 0 40 DEAB COc1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 11867257 BPHFMWMNFVTTMB-DZGCQCFKSA-N 324.380 2.116 0 40 DEAB CCOC(=O)c1cc(=O)n2nc(-c3ccccc3F)nc2s1 2641163 HNVVSOPUTOTPNF-UHFFFAOYSA-N 319.317 2.134 0 40 DEAB COc1ccc(C)cc1NC(=O)CNC(=O)c1cccc(C)n1 32754024 QTOLECCPLRZOKP-UHFFFAOYSA-N 313.357 2.076 0 40 DEAB CCOC(=O)C1CCN(CC(=O)Nc2ccccc2C)CC1 2731439 KBVZNTCDTWXBCJ-UHFFFAOYSA-N 304.390 2.209 0 40 DEAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@@H](n2cncn2)C1 72234730 GFYMGFLJYIOCAN-QGZVFWFLSA-N 310.401 2.173 0 40 DEAB Cc1ccoc1C(=O)NCc1ccccc1CN1CCOCC1 21935287 HVVOSWSNPLGENH-UHFFFAOYSA-N 314.385 2.350 0 40 DEAB Cc1nn(Cc2ccccc2)cc1C(=O)C1C(=O)CCCC1=O 103619381 GNEWGBGGULPSAL-UHFFFAOYSA-N 310.353 2.361 0 40 DEAB COc1ccccc1N(C[C@@H]1CO1)S(=O)(=O)c1ccccc1 553686 LDSMNZLMXLWRGA-CYBMUJFWSA-N 319.382 2.289 0 40 DEAB Cn1cc(Cl)cc1C(=O)Nc1cccc(-c2nnnn2C)c1 22549558 QSPCFAAIIMKJTH-UHFFFAOYSA-N 316.752 2.121 0 40 DEAB CCN1CCC[C@H]1CNC(=O)[C@H](C)OCc1cccc(OC)c1 106068082 MENLNMNTDGFZMQ-HOCLYGCPSA-N 320.433 2.201 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nc(-c3ccccn3)no2)c1 69629476 GCTRVPVJFFUZQZ-OLZOCXBDSA-N 312.377 2.376 0 40 DEAB C[C@@H](NC[C@@H]1CCOC1)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217930 YQQKMVQVOIJPHO-NEPJUHHUSA-N 318.421 2.420 0 40 DEAB COc1cccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1OC 3244070 MBLOSRHRKRAHSU-UHFFFAOYSA-N 313.313 2.126 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1cccc[n+]1[O-] 3222869 JSRKOKOFCURRPF-GFCCVEGCSA-N 300.383 2.390 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)NCc1ccnn1C 26395849 XILKPVNUILKSPC-LBPRGKRZSA-N 302.378 2.298 0 40 DEAB C[C@H](C(=O)N(C)[C@H](C)C1(C)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 108354578 LWLMXCRWVYGODX-MQYQWHSLSA-N 320.433 2.197 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)N(Cc1ccc(O)cc1)C1CC1 48262475 VIEQFJQDSGULTR-ZDUSSCGKSA-N 314.389 2.351 0 40 DEAB CN(C)c1ccc(NC(=O)NCCCNc2ccccn2)cn1 48235414 JIFUKEXUWFTYRT-UHFFFAOYSA-N 314.393 2.166 0 40 DEAB Cc1cc2c(cc1C)O[C@H](C(=O)NCC[C@H](O)C(F)(F)F)C2 96431149 CQOBTIRBRIWCPO-STQMWFEESA-N 317.307 2.036 0 40 DEAB O=C(CCNc1nccc(C(F)(F)F)n1)Nc1ccncc1 58178017 OXRGOWIOJNBJAH-UHFFFAOYSA-N 311.267 2.331 0 40 DEAB CCOc1ccc(N2C[C@@H](C(=O)N[C@H](C)CC)CC2=O)cc1 27338966 YRVVEFCIOZZGNB-OLZOCXBDSA-N 304.390 2.353 0 40 DEAB CCOc1ccc(CN(C)CC(=O)Nc2cc(C)no2)cc1 44892070 DPAFLIGLSSKYHK-UHFFFAOYSA-N 303.362 2.452 0 40 DEAB CCCCS(=O)(=O)N[C@@H](C)C(=O)Nc1cc(C)ccc1C 44999924 JIINWQYGKNIUAO-ZDUSSCGKSA-N 312.435 2.350 0 40 DEAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)cc1Cl 44935979 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0 40 DEAB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3ncccn3)CC2)C1(C)C 22006606 ZDZCTGOKCYUDHP-LSDHHAIUSA-N 314.433 2.364 0 40 DEAB Cc1nn(CCC(=O)NCCCn2cccn2)c2ccccc12 57279980 FBBRCNJDAQLBLM-UHFFFAOYSA-N 311.389 2.138 0 40 DEAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)c1ccccc1O 22900585 IFICBRAEWLBZRK-UHFFFAOYSA-N 314.341 2.020 0 40 DEAB CC[C@@H](C)NC(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 28576887 WORDAKFOMDPZFZ-SECBINFHSA-N 309.801 2.384 0 40 DEAB O=C(NCc1ccccc1CN1CCOCC1)[C@H]1CC=CCC1 23955727 CJYDOFJGDODEBU-INIZCTEOSA-N 314.429 2.491 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(C)o2)c1C 9451471 HZSBOWCZEIZYBE-UHFFFAOYSA-N 319.313 2.359 0 40 DEAB CC[C@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)CCO1 43143502 VVZIKUFPJWVPES-STQMWFEESA-N 311.451 2.171 0 40 DEAB Cc1noc(C)c1CCNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 171721721 MRYVCLIPVLHFMO-BLLLJJGKSA-N 316.357 2.179 0 40 DEAB CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CC1 1355720 UQHUGDXZNWKIGF-UHFFFAOYSA-N 316.430 2.260 0 40 DEAB CCn1nc(C)c2nc(C)nc(NCc3c(C)nn(C)c3C)c21 57312551 KTIGWZUYYYBXDP-UHFFFAOYSA-N 313.409 2.425 0 40 DEAB COc1cccc2cc([C@@H](C)NC(=O)c3ccc(O)nn3)oc12 25137670 SSKUKNCHCIOKCW-SECBINFHSA-N 313.313 2.428 0 40 DEAB Cn1cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 55944962 QBFXUHYQLVLOKV-GJZGRUSLSA-N 303.337 2.209 0 40 DEAB C[C@H]1[C@@H](C)[S@](=O)CCN1C(=O)[C@H](C)CCOc1ccccc1 110646905 JWNNNONSXUIANM-DQMOJMCFSA-N 323.458 2.460 0 40 DEAB O=C(Nc1ccncc1)N1CCC(c2nnc3n2CCC3)CC1 56501213 UQVNOHWMQABEDC-UHFFFAOYSA-N 312.377 2.031 0 40 DEAB COC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(C)nc1C 72274421 FJSFEYMDSIPPBX-MRXNPFEDSA-N 310.353 2.443 0 40 DEAB O=C(NCCc1nnc2ccccn12)N1CC[C@H]1c1ccccc1 43882184 ICTCDHJNCIDQMM-HNNXBMFYSA-N 321.384 2.428 0 40 DEAB CCOC[C@H]1CCC[C@]12CN(C(=O)c1cc(C)on1)CCO2 107194444 MZFISAWTARTTIL-CJNGLKHVSA-N 308.378 2.031 0 40 DEAB c1nnc(C2CC2)n1CCN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 108376721 JAOZBZAGHUBFAQ-RRFJBIMHSA-N 302.422 2.093 0 40 DEAB Cc1nnc(SCc2ccc(F)cc2Cl)n1CC(N)=O 76994322 WWGMNWCAJQGDPZ-UHFFFAOYSA-N 314.773 2.157 0 40 DEAB O=C(Cn1cncn1)Nc1nc(-c2ccccc2F)cs1 58159953 SFCCZTSYAPBRSY-UHFFFAOYSA-N 303.322 2.179 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3nncn32)cc1Cl 44891043 XKDJBAWDWKDFLZ-VIFPVBQESA-N 321.724 2.112 0 40 DEAB CCOc1ncccc1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58215003 OFPOVSUTMDFYIQ-LSDHHAIUSA-N 313.357 2.260 0 40 DEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCc1cccc(O)c1 58278964 INSMMXNDUPPDEH-PXAZEXFGSA-N 313.353 2.279 0 40 DEAB Cc1cccc2nc(COC(=O)[C@H]3C[C@H]3c3ccco3)cc(=O)n12 84230419 UZXSVXXIBBCSNT-KGLIPLIRSA-N 324.336 2.443 0 40 DEAB Cc1ccc(C)n1C1CCN(S(=O)(=O)N(C)C(C)C)CC1 58369430 CCOPNRWQGFBNHU-UHFFFAOYSA-N 313.467 2.327 0 40 DEAB C[C@H]1CN(C[C@H](O)COCC[C@@H]2C[C@@H]3CC[C@@H]2C3)C[C@H](C)O1 104492768 BTWIPZIBMYFMPI-MNWMBMHPSA-N 311.466 2.299 0 40 DEAB Cc1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)cc1 58305500 GBFABXJKBIXDEI-UHFFFAOYSA-N 324.428 2.072 0 40 DEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)COCC3CC3)c2)n1 58390675 QAGZIVVRUNTKDA-UHFFFAOYSA-N 313.357 2.110 0 40 DEAB COc1ccc(C)cc1CC(=O)O[C@@H](C(N)=O)c1ccccc1 10855723 KJOYEIVLVQXRPB-QGZVFWFLSA-N 313.353 2.316 0 40 DEAB Cc1occc1C(=O)NCC1(N2CCOCC2)CCCCC1 25448435 NBAGDBXXYZHQCL-UHFFFAOYSA-N 306.406 2.353 0 40 DEAB Cc1nc(C(=O)N2CC[C@@]3(C2)CN(C)c2cccnc23)cs1 306140437 UTTNHULSFUGMHG-INIZCTEOSA-N 314.414 2.080 0 40 DEAB CCCC(=O)N[C@H]1CCc2nc(C(=O)NCC3CC3)sc2C1 306126494 DXOGGVYFHORUGM-NSHDSACASA-N 321.446 2.057 0 40 DEAB COc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1F 48314804 HFWOSOYYOYPOKX-UHFFFAOYSA-N 320.364 2.421 0 40 DEAB COc1ncccc1NC(=O)NC[C@@H](O)c1ccc(F)c(F)c1 48367230 QCLWBTGNBGRMCB-CYBMUJFWSA-N 323.299 2.224 0 40 DEAB O=C(NCc1ccc(N2CCCC2)nc1)c1cccnc1S 12972643 HJQWPBBZKHEILA-UHFFFAOYSA-N 314.414 2.296 0 40 DEAB Cc1ccc(CNC(=O)CSc2ncccc2C(=O)O)cc1 13188743 OPMVGWLIUJEMSA-UHFFFAOYSA-N 316.382 2.497 0 40 DEAB C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl 63193996 GQSHTBLBNLQMOM-JOYOIKCWSA-N 320.817 2.370 0 40 DEAB Cc1noc(CCNC(=O)NCc2ccccc2OC(C)C)n1 69571279 CFEODOVXMZPPLU-UHFFFAOYSA-N 318.377 2.207 0 40 DEAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C 69623738 ZZAGBRRUEBLPGN-GWCFXTLKSA-N 312.797 2.042 0 40 DEAB Cc1c([C@H](C)NC(=O)[C@H]2CCC(=O)N2)oc2ccc(F)cc12 69848845 NXMKXBNDBPDFBY-JOYOIKCWSA-N 304.321 2.336 0 40 DEAB CCc1nnc(NC(=O)c2ccc3c(c2)NC(=O)CS3)s1 8734211 FXDSGOHAJVRXSJ-UHFFFAOYSA-N 320.399 2.397 0 40 DEAB COC(=O)[C@@H](C)CN(C)C(=O)c1ccc(N2CCC(C)=N2)cc1 65529623 KLIOVSBXHXZVJH-LBPRGKRZSA-N 317.389 2.154 0 40 DEAB Cc1cc(F)ccc1NC(=O)Cn1c(=O)n(C)c2ccccc21 14110472 QDDMSXMYMCJKCU-UHFFFAOYSA-N 313.332 2.426 0 40 DEAB Cc1ccc(CN(C)C(=O)Cn2cnc3ccsc3c2=O)o1 14182089 IUFHBXLUZGMNRC-UHFFFAOYSA-N 317.370 2.018 0 40 DEAB COCCN(C(=O)c1ccc2nnc(C)n2c1)C1CCCC1 65625733 BQXMJGAVWHBILL-UHFFFAOYSA-N 302.378 2.069 0 40 DEAB CCc1ccsc1C(=O)NCCC(=O)NCc1cccnc1 65906166 VESPKEFRABSQBO-UHFFFAOYSA-N 317.414 2.142 0 40 DEAB O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCOCC1 66892183 AGLFYHLXENFGCP-INIZCTEOSA-N 306.381 2.039 0 40 DEAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccccc2F)c1 4983737 URBXONAIWIKLHH-UHFFFAOYSA-N 319.288 2.335 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 42055183 XZCKNUIYTHHXQM-UHFFFAOYSA-N 321.764 2.412 0 40 DEAB CCC(C)(C)NC(=O)COC(=O)c1[nH]c(C)c(C(C)=O)c1C 7482600 AXALZVGNKLEGNP-UHFFFAOYSA-N 308.378 2.296 0 40 DEAB CC1(C)C[C@H](N[C@@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 90591495 AULWJRZDRPHQQV-MNOVXSKESA-N 322.371 2.475 0 40 DEAB CC(=O)N1C[C@@H](C(=O)N2CCc3ccccc32)Oc2ccccc21 7784793 ZSVMVEOCUXLNKD-SFHVURJKSA-N 322.364 2.390 0 40 DEAB O=C(CCN1CCN(c2nccs2)CC1)NC1CCCCC1 69328784 ITPVAQYEZXNLOY-UHFFFAOYSA-N 322.478 2.104 0 40 DEAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 70173460 CMISFPJTAQWMJQ-NXEZZACHSA-N 320.817 2.227 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 71883447 WGMPCEQIBGPSLM-MEBBXXQBSA-N 316.332 2.341 0 40 DEAB O=C1N[C@@H](CCc2ccccc2)C(=O)N1CC1(O)CCCCC1 71824996 LJNJOYNVFPOYCQ-HNNXBMFYSA-N 316.401 2.235 0 40 DEAB Cn1c(C(=O)N2CCOCC2)c(Br)c2ccccc21 71843170 FMRPMHOSLQGAPY-UHFFFAOYSA-N 323.190 2.413 0 40 DEAB CCc1ncc2c(n1)CN(CC[S@](=O)c1ccccc1)CC2 71880365 FICSMAPSIMZINN-JOCHJYFZSA-N 315.442 2.205 0 40 DEAB C[C@](NC(=O)NCc1ccccc1F)(C(=O)O)c1ccco1 78254020 VXPCKZVWLMVECR-OAHLLOKOSA-N 306.293 2.218 0 40 DEAB COC(=O)c1ccc(-c2noc([C@H]3CCn4cncc4C3)n2)cc1 97371614 ODMUZQREXFCFDI-ZDUSSCGKSA-N 324.340 2.450 0 40 DEAB Cc1ccccc1CCCN1CCC[C@H](CNS(C)(=O)=O)C1 84679528 GNLYUWPPFGGYNM-MRXNPFEDSA-N 324.490 2.189 0 40 DEAB O=CN1CCC(OC(=O)[C@H]2SCCc3ccccc32)CC1 95461443 ZGLYQMXHSLDKDU-HNNXBMFYSA-N 305.399 2.181 0 40 DEAB CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)O)s1 95442417 KTBDJYXXEXGURE-ZYHUDNBSSA-N 303.449 2.235 0 40 DEAB CCCN(CC1CC1)C(=O)NC1CCN(C(=O)OCC)CC1 79008904 KQWIVLYEVFTTRQ-UHFFFAOYSA-N 311.426 2.439 0 40 DEAB O=C(OCCn1cncn1)c1cccc(C(F)(F)F)c1F 79025383 KNHOMMDDYYANSU-UHFFFAOYSA-N 303.215 2.293 0 40 DEAB Cn1nccc1C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 95987088 UIJOUQZIPBGASE-UHFFFAOYSA-N 315.373 2.305 0 40 DEAB Cc1nnc([C@@H]2CCCN2Cc2ncn(-c3ccccc3)n2)o1 95983401 MXPUTEXVKQKNNK-AWEZNQCLSA-N 310.361 2.296 0 40 DEAB COc1ccc2c(c1)C[C@H](NCCOC[C@@H]1CCCO1)CC2 95973575 ZIODFZMKTBWMGZ-AEFFLSMTSA-N 305.418 2.338 0 40 DEAB CO[C@]1(C)C[C@@H](NC(=O)N(CC(C)(C)O)C(C)C)C1(C)C 95973336 UVTKLXHBMLUIRY-MLGOLLRUSA-N 300.443 2.381 0 40 DEAB CN(CCN1CCOC1=O)[C@@H]1CCCN(c2ccccc2)C1 89346206 WCHUOWLGRCPJSY-MRXNPFEDSA-N 303.406 2.039 0 40 DEAB Cc1ccc(C(=O)NCCCOc2ccccc2F)c(=O)[nH]1 75118681 GTTXAQJBYUQECA-UHFFFAOYSA-N 304.321 2.021 0 40 DEAB CC(C)C(=O)NCCNC(=O)N[C@@H](c1ccccc1)C1CC1 23140047 KQTMWXDGTMTPCG-HNNXBMFYSA-N 303.406 2.209 0 40 DEAB CC[C@@H](Cc1ccccc1Br)C(=O)Nc1nnn[nH]1 89943692 DAWHYRHQPBVSLX-QMMMGPOBSA-N 324.182 2.170 0 40 DEAB Cc1cccc(-n2nnc(CO)c2-c2ccc3c(c2)OCO3)c1 62243795 YMOZDRYIVOSDCX-UHFFFAOYSA-N 309.325 2.464 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 95200 UTVCPAPWORAKEV-UHFFFAOYSA-N 309.347 2.051 0 40 DEAB biogenic,in-man CN(Cc1nccn1C(F)F)C(=O)[C@@H]1CCCc2nc[nH]c21 548410758 STVWPPUIRRICOX-SECBINFHSA-N 309.320 2.080 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](O)C1 75156915 REEPYZLYCHVKSX-VXGBXAGGSA-N 303.811 2.230 0 40 DEAB O=C(COC(=O)c1ccccc1)NCc1ccc(F)cc1F 72333784 VCHJPINTPCTLSL-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB CCOC1(OCC)CCN[C@H](CNC(=O)OC(C)(C)C)C1 36533499 NREYAFTVKXEXRE-LBPRGKRZSA-N 302.415 2.032 0 40 DEAB CC(C)(C)C(=O)CN1CCC2(CC1)NC(=O)c1ccccc1O2 72347628 YMQFLTQDKPYIBV-UHFFFAOYSA-N 316.401 2.216 0 40 DEAB CNC(=O)CN(C(=O)CC[C@H]1CC[C@@H](C)O1)c1ccccc1C 74726826 SHIOUTDYNFBSTL-HUUCEWRRSA-N 318.417 2.422 0 40 DEAB CN1CCC(N2CC[C@H](c3nnc(-c4cccnc4)o3)C2)CC1 49169686 YUFIDDRFRGXBBG-AWEZNQCLSA-N 313.405 2.015 0 40 DEAB biogenic,in-vitro CCN1CCN(C(=O)c2snnc2-c2ccc(C)cc2)CC1 225776144 BREKEFJCDJZZBD-UHFFFAOYSA-N 316.430 2.291 0 40 DEAB Cc1nc(NCC(F)(F)CO)c2c(C)c(C(=O)O)sc2n1 568395811 YUNCWDWPVNWRFF-UHFFFAOYSA-N 317.317 2.046 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F 195542626 AGIMRXNQOUZGFF-NSHDSACASA-N 301.264 2.324 0 40 DEAB CN(c1ccc(CC(=O)Nc2ccccc2)cc1)S(C)(=O)=O 225976518 ZPBRFUYFBKIPBI-UHFFFAOYSA-N 318.398 2.264 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccccc3F)C2)nn1 225426807 QPBMSEDUBQRYIT-AWEZNQCLSA-N 315.348 2.147 0 40 DEAB CO[C@H](C)CS(=O)(=O)N1c2ccccc2N(C)CC[C@@H]1C 195372754 RBBVPZKHQURKSA-QWHCGFSZSA-N 312.435 2.086 0 40 DEAB Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4O)c2ccccc21 96448082 FUQVHULCOUWPMV-UHFFFAOYSA-N 311.429 2.195 0 40 DEAB biogenic CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3ccsc3)[C@@H]2C1 96056687 LWPAUBNUNZBZPR-RRFJBIMHSA-N 308.447 2.252 0 40 DEAB Cc1noc(C2CCN(c3cc(NCC4CC4)ncn3)CC2)n1 91455270 UVIUNJSIGULLLD-UHFFFAOYSA-N 314.393 2.374 0 40 DEAB Cc1cc(NCCOCCS(C)(=O)=O)c2ccccc2n1 96429660 FVMJABJCQDOFLL-UHFFFAOYSA-N 308.403 2.016 0 40 DEAB COCCNC(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 96431280 FDNNWAVCEORMKI-GXTWGEPZSA-N 311.451 2.077 0 40 DEAB CCS[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)C(C)(C)C 96456080 YHGPZQSBPMWMFA-RYUDHWBXSA-N 300.468 2.329 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2ccc(-c3ccco3)o2)CC1 96183685 YGSIPUIBCNSMQH-UHFFFAOYSA-N 318.329 2.454 0 40 DEAB COC(=O)[C@H](N[C@H]1CCCOC1)c1ccc(Cl)c(F)c1 97102497 HPUUSPBICBILBY-GXFFZTMASA-N 301.745 2.462 0 40 DEAB COCCN1CCN(Cc2nccs2)Cc2cccnc21 96198849 RVANEFFSMJRBKC-UHFFFAOYSA-N 304.419 2.007 0 40 DEAB CCOC[C@H]1C[C@@H]2OCCN(Cc3ccc4c(c3)OCO4)[C@H]2C1 96082711 MAPMNXNTWYOGDL-VYDXJSESSA-N 319.401 2.431 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CCn2cncn2)c1 96410177 WRXWDRZOBLJWJQ-INIZCTEOSA-N 313.405 2.098 0 40 DEAB Cc1noc([C@@H]2C[C@H]3OCC[C@H]3N(Cc3scnc3C)C2)n1 96038929 FFNCQNJLUSZJGH-JHJVBQTASA-N 320.418 2.290 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(Cc1ccc3c(c1)OCO3)C2 96064983 IHXWMLCYEYRLKV-ZWKOTPCHSA-N 319.401 2.433 0 40 DEAB CN1C(=O)[C@@](O)(C(F)(F)F)c2cc(Br)ccc21 96142532 FZPBEJLRMYJCJV-SECBINFHSA-N 310.069 2.175 0 40 DEAB Cc1cccnc1Nc1cc([C@@H]2CCCN2CC(N)=O)ccn1 257258993 KWJVLCCDECSDPR-AWEZNQCLSA-N 311.389 2.151 0 40 DEAB O=C(CCCN1CCCC1)N1CCNC[C@@H]1c1ccccc1 257305220 SOYHOENBYCFJJN-QGZVFWFLSA-N 301.434 2.036 0 40 DEAB CCN1CCC(N2CCN(C(C)=O)C[C@@H]2c2ccccc2)CC1 257214472 CMCULFBEJVKGRQ-LJQANCHMSA-N 315.461 2.376 0 40 DEAB Cc1cn(C)c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 257210724 BVWNFMKXEFGQFC-AWEZNQCLSA-N 319.430 2.297 0 40 DEAB CCN1CC[C@H]2[C@@H](C1)OCCN2C(=O)CCc1ccsc1 252503755 VGPPIJNQOQLLFG-LSDHHAIUSA-N 308.447 2.002 0 40 DEAB COCCN1CCC[C@@H](c2cccc(-c3ccnn3C)n2)C1 257326958 WZGFNDMSYRXOPC-CQSZACIVSA-N 300.406 2.308 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575406167 XOIASLVHKNPQBC-AGIUHOORSA-N 320.364 2.016 0 40 DEAB CC(C)C(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575403359 JMGXURLRHSSZKT-CQSZACIVSA-N 306.431 2.341 0 40 DEAB O=C(c1ccccn1)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 585182420 RLWIFVFWTLXUEN-ZDUSSCGKSA-N 320.356 2.239 0 40 DEAB CC(C)N1C[C@@]2(COCCN(Cc3cccc(F)c3)C2)CC1=O 585104555 QBOJRBBLZSXJAU-GOSISDBHSA-N 320.408 2.285 0 40 DEAB O=S(=O)(CCc1ccccc1)N1CCCN(C2CCC2)CC1 828388817 LYISFHIJXHGWQJ-UHFFFAOYSA-N 322.474 2.119 0 40 DEAB CC[C@@]1(c2ccccc2)NC(=O)N(CCc2ccncc2)C1=O 58010479 IEFZYKXPRLHZQY-SFHVURJKSA-N 309.369 2.481 0 40 DEAB C[C@@H](CNc1nc2ccccc2c(=O)[nH]1)CC1(C)OCCO1 80702141 UDCYJDWINSTJIY-LLVKDONJSA-N 303.362 2.124 0 40 DEAB Cc1csc2nc([C@H]3CC(=O)N(CC4CCC4)C3)[nH]c(=O)c12 95417506 AGQVLXPAJOIWKJ-NSHDSACASA-N 317.414 2.409 0 40 DEAB Cc1ccc(NC(=O)CCC(=O)NC2CCCC2)c(N(C)C)n1 95440040 IRPQMINEXXLTCB-UHFFFAOYSA-N 318.421 2.234 0 40 DEAB O=C(Nc1ccccc1CN1CCNC1=O)c1cc(Cl)c[nH]1 97046477 PGGNEPCYVPASPZ-UHFFFAOYSA-N 318.764 2.446 0 40 DEAB CC[C@H](C)NC(=O)Cn1cccc2cc(C3CCNCC3)nc1-2 12241875 NVWSHHMEGMQWFQ-ZDUSSCGKSA-N 314.433 2.370 0 40 DEAB CC(C)c1nccn1CC(=O)NCCOc1ccc(F)cc1 19454420 GSXMXWCFUWQPDP-UHFFFAOYSA-N 305.353 2.341 0 40 DEAB CN1CCN(C(=O)CCn2c(C(F)F)cc3cccnc32)CC1 19589716 AKWYKHSNBKUFSU-UHFFFAOYSA-N 322.359 2.138 0 40 DEAB CN(C)Cc1cccc(NC(=O)C(=O)Nc2cccc(F)c2)c1 157538867 RGKRQQYNEOAHFK-UHFFFAOYSA-N 315.348 2.465 0 40 DEAB C[C@H]1CN(C(=O)c2cc(N)cc(Br)c2)C[C@@H](C)O1 157705394 OEVRSBLATQIBDN-DTORHVGOSA-N 313.195 2.281 0 40 DEAB CC(C)N1CCC(CNS(=O)(=O)c2ccccc2F)CC1 22999792 HULWKXJJWOMYMH-UHFFFAOYSA-N 314.426 2.224 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)N(C)Cc1ccccc1 2385372 SBWWIMFLDVCMTG-UHFFFAOYSA-N 304.415 2.495 0 40 DEAB Cc1cc(C)n(-c2ccc(SCC(=O)NCC(C)C)nn2)n1 11069937 FXUOJTNETAFIES-UHFFFAOYSA-N 319.434 2.143 0 40 DEAB CCc1nnc(C2CCN(c3ncnc4[nH]cnc34)CC2)s1 1888888364 DUJUVZHUQPFRPB-UHFFFAOYSA-N 315.406 2.151 0 40 DEAB COc1ccc([C@@H]2Cn3ccnc3CN2Cc2cn(C)cn2)cc1 2037846673 VLFVXYGWPHHUIG-KRWDZBQOSA-N 323.400 2.382 0 40 DEAB CC[C@@H](C)NC(=O)C(=O)Nc1c2c(nn1C(C)(C)C)CSC2 5438088 HMCWSDJGDXBOCI-SECBINFHSA-N 324.450 2.238 0 40 DEAB C[C@@](O)(CNc1ncnc2cnccc12)Cc1ccsc1 1775971488 PXYWMDWJUKEQIJ-HNNXBMFYSA-N 300.387 2.492 0 40 DEAB O=C(Nc1cccnc1)N1CCC(c2nnc3n2CCC3)CC1 50076464 LMJZVTGMDFLPIM-UHFFFAOYSA-N 312.377 2.031 0 40 DEAB CCSc1nnc(NC(=O)c2cccnc2N(C)C)s1 31675606 RPRMWCCYQYUPKN-UHFFFAOYSA-N 309.420 2.363 0 40 DEAB COc1ccc(NC(=O)CN(C)CCOCC(F)(F)F)cc1 40555328 BOCUPIRZVIQFIU-UHFFFAOYSA-N 320.311 2.144 0 40 DEAB Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N[C@@H](C)c1ccccc1 40527814 ZWGAYJGSEPSMGJ-VIFPVBQESA-N 322.386 2.035 0 40 DEAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)NC 417942 LFLMSCLGHIWQJZ-UHFFFAOYSA-N 320.418 2.024 0 40 DEAB COCCNC(=O)CSc1nnc(Nc2ccccc2)s1 2725813 CIPFMXWVTFXPDC-UHFFFAOYSA-N 324.431 2.136 0 40 DEAB COc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C)C3)C2=O)cc1 6556247 CQAJQFNBTOERDU-WFASDCNBSA-N 302.374 2.059 0 40 DEAB O=C(O)CCCc1nc2ccc(Br)cc2c(=O)[nH]1 21953435 IIXLTMLFOFDVSV-UHFFFAOYSA-N 311.135 2.093 0 40 DEAB CC1CCC2(CC1)OC[C@H](CNC(=O)c1cncc(F)c1)O2 97037719 XWPQTFHHCYBPQV-WMEQCIOUSA-N 308.353 2.272 0 40 DEAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCO[C@H](C)C1 103361216 YVLCMEDAHBMREU-GHMZBOCLSA-N 312.797 2.396 0 40 DEAB NC(=O)c1cccc(C(=O)Nc2nccn2Cc2ccccc2)c1 47709943 NVEMOGSPTGYBNR-UHFFFAOYSA-N 320.352 2.283 0 40 DEAB Nc1nccnc1C(=O)OCCOc1ccc2ccccc2c1 47702911 DFHWWCCBJLJGFW-UHFFFAOYSA-N 309.325 2.448 0 40 DEAB CSc1cccc(NC(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 969153 YFSIDMCOOIWPEQ-VOAKCMCISA-N 305.355 2.001 0 40 DEAB O=c1[nH]nc(SCCCc2ccccc2)n1C[C@H]1CCCO1 68901622 VLYIGCORZJTBIN-CQSZACIVSA-N 319.430 2.475 0 40 DEAB Cn1cc(S(=O)(=O)N2CCC[C@H]2CCc2ccccc2)cn1 55264046 KGQHMFDYUYKDBB-HNNXBMFYSA-N 319.430 2.206 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)C[C@@H]2C(=O)Nc3ccccc32)cn1 69948545 WBBWCSVCIYKTAR-HOCLYGCPSA-N 324.384 2.210 0 40 DEAB C[C@@H](NC(=O)c1cnc2ccccn2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106508752 JVHZUDZYCVGDQE-RFGFWPKPSA-N 311.385 2.249 0 40 DEAB O=C(COC(=O)c1ccc(F)cc1)NCc1ccc(F)cc1 3248446 DLTPGDGUQWPCNZ-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2ccco2)nc1C1CC1 97054794 OZJRHFSFRKVWGL-UHFFFAOYSA-N 300.314 2.269 0 40 DEAB COCC(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1ccc(OC)cc1 100113446 XSPQAUCKCFNHNO-IOASZLSFSA-N 305.374 2.100 0 40 DEAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 108366753 JCERAKZZCZWYLZ-DSPGLSBSSA-N 305.349 2.471 0 40 DEAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)NCc1ccccc1 58282609 MSBSHGNPWLWMIX-UHFFFAOYSA-N 324.384 2.301 0 40 DEAB O=C(CCc1ccsc1)NCCC(=O)Nc1ccccn1 44936524 CNRMUMNDBJNVKP-UHFFFAOYSA-N 303.387 2.221 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1nc(C2CC2)cs1 44977178 XSHNYGFVWCCDTP-MRVPVSSYSA-N 305.359 2.371 0 40 DEAB Cc1nnc2ccc(NCc3cccc(N4CCOC4=O)c3)nn12 44978836 DSMMVDBOMDLWSR-UHFFFAOYSA-N 324.344 2.001 0 40 DEAB CSCCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 44934871 AYIKSKDUTCRLGX-LBPRGKRZSA-N 308.451 2.421 0 40 DEAB COc1ccc(CNC(=O)Nc2nnc(C3CC3)s2)cc1O 44944935 HESGZMDLPKRIMD-UHFFFAOYSA-N 320.374 2.451 0 40 DEAB COCCN(C)CCCNC(=O)c1cc2cc(C)ccc2o1 58377660 GAEQADPGEQCZKS-UHFFFAOYSA-N 304.390 2.439 0 40 DEAB O=c1onc(-c2ncccn2)n1CCCc1nc2ccccc2o1 58440699 LTRIPQFZIBPGQP-UHFFFAOYSA-N 323.312 2.067 0 40 DEAB OCCN1CCN(Cc2csc(C3CCCCC3)n2)CC1 58563896 CLXYVYXPRYYGDL-UHFFFAOYSA-N 309.479 2.301 0 40 DEAB O=C(Cn1cccn1)OCc1cc(=O)oc2cc3c(cc12)CCC3 11117276 JJZWITLQFYVWON-UHFFFAOYSA-N 324.336 2.222 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@H](O)c1ccccc1)C2=O 11381039 HHVCQDHOXHDJFK-IFIJOSMWSA-N 302.374 2.221 0 40 DEAB COC[C@@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 48345420 GPCOIHXZEPDHDB-SNVBAGLBSA-N 308.403 2.228 0 40 DEAB NC(=O)NC(=O)CNc1cccc(OCc2ccc(F)cc2)c1 45734303 RJTJEGDZHAJNAK-UHFFFAOYSA-N 317.320 2.012 0 40 DEAB Cc1cccc(COc2cccc(C(=O)N3CCNC(=O)C3)c2)c1 13010723 PVPSTJBUYWMVNK-UHFFFAOYSA-N 324.380 2.146 0 40 DEAB CCCCN(C)C(=O)/C(=C/c1cccc(F)c1)n1nnnc1C 69390075 NHELHMMDSMULNU-PTNGSMBKSA-N 317.368 2.377 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1cc(OC)ccn1 110691264 YTMIUWIGVHFPAX-RCBQFDQVSA-N 304.390 2.396 0 40 DEAB O=C(COc1ccc2c(c1)OCO2)NCc1ccc(F)cc1 6128825 WECVJJPNPQFXOW-UHFFFAOYSA-N 303.289 2.250 0 40 DEAB CCC(=O)NCC(=O)NCc1cccc(COC(C)(C)C)c1 69484559 LPQSPDFICNIBEM-UHFFFAOYSA-N 306.406 2.144 0 40 DEAB O=C(CCc1ccccc1)NCCNC(=O)CCc1ccccc1 6281402 XRBDFVIATXOKFM-UHFFFAOYSA-N 324.424 2.484 0 40 DEAB CC(C)Cn1cc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccccc21 65548389 OKUKFLKIEITCOW-ZDUSSCGKSA-N 313.401 2.245 0 40 DEAB Nc1nc(NCCc2ccccc2)nc(-c2ccccc2O)n1 22113475 FIFDCWCOSZCVJA-UHFFFAOYSA-N 307.357 2.481 0 40 DEAB C[C@@H](NC[C@@H]1CN(C)CCO1)c1ccccc1Br 69527496 MNAVEJXPXJQNNX-VXGBXAGGSA-N 313.239 2.430 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1ccnc(-c3ccccc3)n1)CC2 69631269 CXENOTRNQVJEOW-MRXNPFEDSA-N 320.400 2.148 0 40 DEAB CC(C)c1nn(-c2ccccc2)cc1CNC[C@H](O)CN(C)C 69737774 KXIAEGPXMPARAW-KRWDZBQOSA-N 316.449 2.008 0 40 DEAB CCOc1cc(C(=O)NCCO)ccc1OCc1ccccc1 409378439 PFGXEBIFVKIHHI-UHFFFAOYSA-N 315.369 2.386 0 40 DEAB CC(=O)N1CCN(C(=O)CCc2cc(Cl)cs2)CC1 69898236 MCNNCABMMQLVKK-UHFFFAOYSA-N 300.811 2.025 0 40 DEAB COc1ccc(C(=O)OCc2ccccc2C(N)=O)cc1OC 72273572 YLTTYQOABMZKDR-UHFFFAOYSA-N 315.325 2.160 0 40 DEAB Cc1ncccc1C(=O)N1CCN([C@@H](C)c2ccccn2)CC1 97142457 XDVRXXIIVBIOMF-HNNXBMFYSA-N 310.401 2.304 0 40 DEAB c1ccc(-c2cc(CN3CCN(Cc4ccon4)CC3)n[nH]2)cc1 93561220 DEROYLCSQFIHSS-UHFFFAOYSA-N 323.400 2.383 0 40 DEAB Cc1nn(CC(=O)c2cccc(Br)c2)c(=N)s1 9553798 CGGBSEWIBHMYAX-UHFFFAOYSA-N 312.192 2.378 0 40 DEAB C[C@H](N[C@H]1CCCN(c2cccnn2)C1)c1nc(C2CC2)no1 71859714 WFZAFDKKUGECEI-AAEUAGOBSA-N 314.393 2.057 0 40 DEAB COc1nc(C)cc(C)c1CNC(=O)NCc1scnc1C 71803976 FYCHKKKGMLYACU-UHFFFAOYSA-N 320.418 2.471 0 40 DEAB CCC(=O)N[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1 76062882 QEHMFGFYMMBHJQ-GFCCVEGCSA-N 302.353 2.264 0 40 DEAB Cc1cc(Cn2cccc(C(=O)N(C)[C@@H](C)C3CC3)c2=O)no1 95398961 CYRIIWNBMHEVLH-LBPRGKRZSA-N 315.373 2.064 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)N2CCC[C@H]([C@H](C)O)C2)c1 95431370 KDKATPKCAIOYPU-HOTGVXAUSA-N 320.433 2.485 0 40 DEAB CC(C)Oc1ccccc1CC(=O)NCC1=CCN(C)CC1 95463248 NQZKWTXOMLTCIH-UHFFFAOYSA-N 302.418 2.394 0 40 DEAB O=S(=O)(Nc1ccncc1F)c1ccc2c(c1)OCCCO2 95444317 KXOIKORGJJMEFX-UHFFFAOYSA-N 324.333 2.183 0 40 DEAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCC[C@H](C2OCCO2)C1 95978456 UTGHBWAFHACGQW-RISCZKNCSA-N 321.421 2.132 0 40 DEAB COC(C)(C)C[C@@H](C)NC(=O)NCc1cn2ccsc2n1 78951388 HSCUITCEPJBFBR-SNVBAGLBSA-N 310.423 2.399 0 40 DEAB COC[C@H](O)CN(C)Cc1cc(F)cc(Br)c1 79014158 BPBDMIMZJZJZQS-GFCCVEGCSA-N 306.175 2.027 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@H]1C(C)(C)O 89291989 NNYHUSYEENSTNG-INIZCTEOSA-N 319.401 2.202 0 40 DEAB Cc1cccc(N2CCN(c3nccn4cnnc34)CC2)c1C 75142104 FOGBSTUUPZNNCZ-UHFFFAOYSA-N 308.389 2.068 0 40 DEAB COc1cccc(CNC(=O)CCc2nc(C3CC3)no2)c1 75143859 MLRCPHGWEOMSRI-UHFFFAOYSA-N 301.346 2.205 0 40 DEAB Cc1ccc(Cl)c(O[C@H](C)C(=O)NCCc2n[nH]c(C)n2)c1 89623513 BBUAGTULSDBOMR-SNVBAGLBSA-N 322.796 2.201 0 40 DEAB O=C(NCC1(O)CCSCC1)C1(c2ccccc2)CCC1 75260075 ROSFZWQXHQHNLA-UHFFFAOYSA-N 305.443 2.483 0 40 DEAB CCC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2ccc(C)s2)C1 89941568 UGOQWGGAGHDJJB-NWDGAFQWSA-N 309.435 2.428 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 89920397 WXQACJZUZZUGQJ-HOCLYGCPSA-N 312.413 2.045 0 40 DEAB CC1CCC(NC(=O)[C@@H](C)NC[C@H]2CCCn3ccnc32)CC1 89922637 SGOLMYORLCTRJY-LVDPKSTMSA-N 318.465 2.434 0 40 DEAB COC[C@@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306142084 WOWXPGIUNQVJQU-ZDUSSCGKSA-N 300.358 2.045 0 40 DEAB Cc1cc(N(C)C)nc(CC2CCN(c3cnccn3)CC2)n1 72356758 FXJORRZFRBDVNM-UHFFFAOYSA-N 312.421 2.100 0 40 DEAB CC(=O)N1CCCC[C@@H]1CCc1cc(N2CCCC2)ncn1 72364638 ZJCMVFYYCMWNEH-MRXNPFEDSA-N 302.422 2.410 0 40 DEAB NC(=O)CN1CCC[C@H]1c1cccc(Cc2ccccc2F)n1 72367499 ICZKMTMIIUUZRV-KRWDZBQOSA-N 313.376 2.434 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)cc1 72239587 NHGAVGYRLCJJDS-HNNXBMFYSA-N 314.341 2.418 0 40 DEAB Cc1cc(CNC(=O)C(=O)Nc2cc(F)cc(F)c2)c(C)o1 79350657 XQXXTIMDTXEQSG-UHFFFAOYSA-N 308.284 2.430 0 40 DEAB CC[C@H](Cn1nc(-c2ccoc2C)oc1=O)NC(=O)C1CCC1 72324241 KWTHXKOTYKBCFM-GFCCVEGCSA-N 319.361 2.100 0 40 DEAB COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(N)cn1 40435074 JGTMMGWTMNCAJR-UHFFFAOYSA-N 309.251 2.425 0 40 DEAB CCn1cc(CNc2ccccc2CN2CCC(O)CC2)cn1 86254450 UIFRKSWWGYBRLQ-UHFFFAOYSA-N 314.433 2.472 0 40 DEAB Cc1ccc(SCCC(=O)NCCCN2CCOCC2)cc1 47465838 FKSZLSFFXAKNFD-UHFFFAOYSA-N 322.474 2.316 0 40 DEAB Cc1nc(S(=O)(=O)N2CCOCC2)c(-c2ccccc2)s1 96345942 KWFAATLBRDZAOU-UHFFFAOYSA-N 324.427 2.139 0 40 DEAB Cc1cc(NCCCc2nc3ccccc3n2C)n2ncnc2n1 96444912 ZQHQHGOILMRHHZ-UHFFFAOYSA-N 321.388 2.364 0 40 DEAB COc1ncc(NCc2csc(C3CC3)n2)cc1C(N)=O 96492660 SOQFRGMWDHBAGH-UHFFFAOYSA-N 304.375 2.135 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccccc2F)n1 96120981 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Cc1cc2ccccc2n1CCNC(=O)c1cnn2c1OCCC2 90583958 JYDNKZKVUMGXOG-UHFFFAOYSA-N 324.384 2.359 0 40 DEAB CC(C)c1ccc(CNC(=O)C(=O)NCc2ccccn2)cc1 298113215 QIJMSCYXAWISGU-UHFFFAOYSA-N 311.385 2.138 0 40 DEAB Cc1ccc(OC[C@@]2(O)CCN(CC3CCOCC3)C2)cc1 585269420 STLQLOVJJOURCO-GOSISDBHSA-N 305.418 2.237 0 40 DEAB c1ccc(O[C@@H]2CCOC3(C2)CN(Cc2nccs2)C3)nc1 585105300 SOZLGRWISVPUHT-CYBMUJFWSA-N 317.414 2.351 0 40 DEAB C[C@H](Nc1ccccc1COc1ccccc1)C(=O)NC(N)=O 56214528 ITMMCEXHMFALCU-LBPRGKRZSA-N 313.357 2.261 0 40 DEAB COc1cc2c(cc1OC)CCN(C(=O)[C@H](C)SC)CC2 56462859 YELUYTXFYIYDFP-NSHDSACASA-N 309.431 2.383 0 40 DEAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)[C@@H]1CCC(=O)N1 79001996 OYKQRCGVHWQTJZ-GXTWGEPZSA-N 322.380 2.014 0 40 DEAB Cc1cc(C)n(CC(=O)OCC(=O)c2ccc3c(c2)CCC3)n1 17732873 TXODCKMDRXTYGJ-UHFFFAOYSA-N 312.369 2.415 0 40 DEAB CC[C@@H](O)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 156741055 MAQYPYLLHOZZHE-YMTOWFKASA-N 314.744 2.017 0 40 DEAB O=C(O)c1c(Cl)cnc(I)c1F 36469967 CIWCADPDWHTLCF-UHFFFAOYSA-N 301.442 2.177 0 40 DEAB CCN(C)C[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 1017176533 MQXULOHCKSUKLC-CRAIPNDOSA-N 316.445 2.491 0 40 DEAB Cc1cc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)ncn1 1889078518 NNOCWPFSQFHUPP-UHFFFAOYSA-N 318.812 2.334 0 40 DEAB COc1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)cc1 5193413 CEOPQNBDAWXSQT-HNNXBMFYSA-N 324.380 2.159 0 40 DEAB CCCCSc1nnc(-c2nonc2NC(C)=O)n1CC 9877375 VKHPWAJVQBORTB-UHFFFAOYSA-N 310.383 2.199 0 40 DEAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)c1ccco1 206748799 DQNRPEWCEJFDQO-UHFFFAOYSA-N 310.313 2.419 0 40 DEAB c1cncc(CNc2ncnc3c2ncn3C[C@@H]2CCCO2)c1 2298071701 IEHPLTMRSAEDET-ZDUSSCGKSA-N 310.361 2.012 0 40 DEAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)n1 30557406 RZCCBDQKJCMCQC-UHFFFAOYSA-N 313.357 2.474 0 40 DEAB CCn1ccnc1SCC(=O)NC(=O)N[C@@H]1CCCC[C@@H]1C 11890432 UUWVHMXCRSBPSQ-NWDGAFQWSA-N 324.450 2.400 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69951507 MAPGRIASBAPKIN-QZTJIDSGSA-N 314.429 2.221 0 40 DEAB CC[C@@H](CCNC(=O)c1cc(F)ccc1F)N1CCCC1=O 60367829 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C[C@@H](CCc1ccccc1)N1CCC(N2CCNC2=O)CC1 55904855 BVRBQBHQMLCLEB-HNNXBMFYSA-N 301.434 2.497 0 40 DEAB Cc1noc(C)c1COC(=O)CCn1c(=O)oc2ccccc21 25684035 JPTBWGWHJIECJR-UHFFFAOYSA-N 316.313 2.333 0 40 DEAB C[C@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccncc1 44843800 OOVQFKGSCVTFBO-JTQLQIEISA-N 313.386 2.430 0 40 DEAB Cc1noc(C)c1CN1CCO[C@H]2CC[C@H]1[C@H]2OCC1CC1 107775531 LLZOQKRLXLULLF-YESZJQIVSA-N 306.406 2.450 0 40 DEAB CCn1nnnc1S[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 58210475 RXGCWKDIZPYWTD-VIFPVBQESA-N 322.390 2.074 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3C[C@@H](C)OC[C@@H]3C)cnc21 44909587 HKIXWPOFAGISQU-NWDGAFQWSA-N 302.378 2.262 0 40 DEAB CCn1c(=O)n(CC(=O)Nc2ccccc2O)c2ccccc21 45620885 VERAWBIIRXLQKL-UHFFFAOYSA-N 311.341 2.167 0 40 DEAB CNC(=S)NNC(=S)Nc1ccccc1C(F)(F)F 3316298 JQGAPEXUNXCLTN-UHFFFAOYSA-N 308.354 2.001 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C)Sc2nnc(N)s2)cc1 8733923 ZOKXNFDSGHYBBV-VIFPVBQESA-N 308.432 2.226 0 40 DEAB COc1ccccc1CN(C)C(=O)[C@H]1COc2ccccc2O1 3413745 BAEGBZISIZCDGP-QGZVFWFLSA-N 313.353 2.494 0 40 DEAB CC[C@H](C)n1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3410467 DIFGGBSBFOQVRX-UWVGGRQHSA-N 305.403 2.333 0 40 DEAB COC[C@@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)O 13034878 KFZLZXHIMXWBAE-LLVKDONJSA-N 317.341 2.068 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 13114486 JNMHSNVRRCTITL-FRRDWIJNSA-N 304.390 2.325 0 40 DEAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@H]4CCCC(=O)[C@@]43CO)[C@@H]1CCC2=O 118933030 VDGYIDLCIHRWHZ-NNXGRLFDSA-N 320.429 2.111 0 40 DEAB CC(C)(NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 65403233 HTXKMMYZCMSGJW-AWEZNQCLSA-N 300.402 2.296 0 40 DEAB Cn1cc(S(=O)(=O)NCc2ccc(-c3ccccc3)o2)cn1 65591144 HGVZDGWQVULBEB-UHFFFAOYSA-N 317.370 2.159 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 71280071 WDFQLVQMIKUMFE-RKDXNWHRSA-N 302.252 2.396 0 40 DEAB CC1(C)[C@@H](C(=O)Nc2ccc3occc(=O)c3c2)[C@H]1C(=O)O 71288363 JUEVJDCTZPFJQY-OLZOCXBDSA-N 301.298 2.088 0 40 DEAB CCn1nnnc1SCc1nc(-c2ccc(OC)cc2)no1 14161118 QHZYWYOPVWFQOE-UHFFFAOYSA-N 318.362 2.044 0 40 DEAB CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cc(F)cc(F)c1 65612782 ZIRSXMUHTHINPN-OAHLLOKOSA-N 312.360 2.148 0 40 DEAB CN1CCC(N(C)C(=O)/C=C/c2ccc3c(c2)CCO3)CC1 65625968 LNFFTOLZKNWTJB-GQCTYLIASA-N 300.402 2.187 0 40 DEAB O=C(CCCCN1CCCC1)N1CCC[C@H](n2cccn2)C1 65624405 ORMCMVSVKYAAIL-INIZCTEOSA-N 304.438 2.313 0 40 DEAB Cc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c(O)c1 6510835 BMJFLQKAJLSZCL-UHFFFAOYSA-N 309.325 2.118 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)NC2CCN(CC)CC2)c1C 14523720 XRONPURJRSWPEI-UHFFFAOYSA-N 321.421 2.022 0 40 DEAB COc1ccc(CNC(=O)CCC(=O)NCc2ccco2)cc1 4700631 KQPNSVGWZBWJAW-UHFFFAOYSA-N 316.357 2.001 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3N=NN(Cc4ccccc4)[C@H]3C2=O)cc1 6770301 UCUYULHKBQEMBL-JKSUJKDBSA-N 320.352 2.488 0 40 DEAB CCCn1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 6764402 QDXDPTMWJFPGRV-UHFFFAOYSA-N 308.403 2.023 0 40 DEAB O=c1[nH]c(CSc2nnc3ccccn23)nc2ccsc12 4830454 DDXGIAPDHSULLU-UHFFFAOYSA-N 315.383 2.320 0 40 DEAB O=C(COC(=O)c1[nH]nc2ccccc12)NC1CCCCC1 4825221 TVPAQLQZQOMCJH-UHFFFAOYSA-N 301.346 2.169 0 40 DEAB COCCOC(=O)Nc1cccc(NC(=O)C2CCOCC2)c1 67552833 ZMLWDZSYIZGMNZ-UHFFFAOYSA-N 322.361 2.247 0 40 DEAB Cc1nc(C)c(C(=O)N2CCOCC3(CCOCC3)C2)s1 97107080 SEYUSYXVRYMCPS-UHFFFAOYSA-N 310.419 2.029 0 40 DEAB COc1ccccc1CC(=O)NCCc1nc2ccccc2[nH]1 9318785 CXBBIWHUTJDZMD-UHFFFAOYSA-N 309.369 2.473 0 40 DEAB Cc1cc(C)nc(NS(=O)(=O)c2ccc3c(c2)CCC3)n1 97114361 UYSODUASOJLUSJ-UHFFFAOYSA-N 303.387 2.383 0 40 DEAB CN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 7386553 JVODRKIEPFHNRD-UHFFFAOYSA-N 309.318 2.349 0 40 DEAB CCOc1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1 15777302 OKBCSNDKGKJBKD-UHFFFAOYSA-N 319.386 2.208 0 40 DEAB CC(=O)c1cc(C(=O)OCc2nc(N)c3ccccc3n2)n(C)c1 16156924 NTFLSUKDCFTCMU-UHFFFAOYSA-N 324.340 2.110 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)N[C@@H](C)C(=O)N1CCOCC1 91373352 VMQKPHYAQBSKET-STQMWFEESA-N 310.825 2.108 0 40 DEAB CCc1ccccc1OCC(=O)N[C@@H]1c2ccccc2C[C@H]1O 81703226 DXPXRKHJYYLACU-VQIMIIECSA-N 311.381 2.402 0 40 DEAB CCc1nnc2n1CCN(Cc1ccc(-n3cccn3)cc1)C2 69511315 FFOLMZQEMNMPKH-UHFFFAOYSA-N 308.389 2.042 0 40 DEAB Cc1cnn(CC2CC2)c1NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 69537779 XWSNNEYZCHEMDO-LLVKDONJSA-N 322.409 2.453 0 40 DEAB C[C@@H]1Oc2ccc(C(=O)Cn3nnc4ccccc43)cc2NC1=O 19951284 LZWDXSWXZRLNTE-JTQLQIEISA-N 322.324 2.034 0 40 DEAB CC(C)c1ccc(CCCNC(=O)N2CCO[C@H](CO)C2)cc1 78977452 RUNQCTXLJQLUAK-KRWDZBQOSA-N 320.433 2.145 0 40 DEAB NC(=O)c1cc([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)n[nH]1 78901273 OUBLPYMRRMPZRF-CYBMUJFWSA-N 316.405 2.105 0 40 DEAB O=C(Cn1ccnc1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95434240 XWNHZIDIWRSAQU-CABCVRRESA-N 317.389 2.371 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCN[C@H](c3ccccc3)C2)cc1 22115364 ZDMWJJZWFHWUBA-KRWDZBQOSA-N 316.426 2.330 0 40 DEAB O=C1CC[C@H]2CN(c3nccc(Oc4ccccc4)n3)CCN12 517482662 DWLJOZNYCHJBCV-ZDUSSCGKSA-N 310.357 2.080 0 40 DEAB O=Cc1cn(CCC(F)(F)F)nc1I 408717548 HCJWTOGPFYCNII-UHFFFAOYSA-N 318.036 2.253 0 40 DEAB O=C(CSc1nc(-c2ccco2)n[nH]1)Nc1cccnc1 409269600 CZHACKCJWYJREE-UHFFFAOYSA-N 301.331 2.191 0 40 DEAB O=C(O)COC[C@@H]1CCCCN1C(=O)OCc1ccccc1 79390214 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Cc1ccn(-c2ccccc2CNC(=O)[C@@]2(C)CCCNC2)n1 195554415 MOSRQPPXYHAGNU-SFHVURJKSA-N 312.417 2.187 0 40 DEAB O=C(c1cc2ccccn2c1)N1CCC[C@@H](Oc2cnccn2)C1 225473411 RBOWDERCBJNRSE-MRXNPFEDSA-N 322.368 2.413 0 40 DEAB C[C@@H](c1ccccn1)N1CCC([C@@H](O)c2nccn2C)CC1 89924877 BOAJOSWUFWJHLX-XJKSGUPXSA-N 300.406 2.322 0 40 DEAB Cc1ccc(CNC(=O)c2ccon2)c(-n2cc(Cl)cn2)n1 191723642 ZPLXWFWJTGRVIO-UHFFFAOYSA-N 317.736 2.147 0 40 DEAB CCO[C@H](C)c1nccn1[C@@H]1CCN(CC(F)(F)F)C1=O 195564501 HJNXHQKKZQSFRB-NXEZZACHSA-N 305.300 2.316 0 40 DEAB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@@H]2O)c(C)c1 96420329 VLGUJDBFYHPNTN-GJZGRUSLSA-N 318.417 2.218 0 40 DEAB C[C@@H](Cc1ccsc1)NS(=O)(=O)CC[C@@H]1CCCO1 96472488 MMOCFVBJKBBQDI-AAEUAGOBSA-N 303.449 2.168 0 40 DEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@H](O)c2ccccc2)C1 95753386 WIVHHJZQKWCBGX-LESCRADOSA-N 310.397 2.001 0 40 DEAB biogenic Cn1cccc1[C@@H]1COCCN1Cc1nc(-c2ccco2)no1 97379608 NLYXEYJBCGCUFB-ZDUSSCGKSA-N 314.345 2.242 0 40 DEAB O[C@H](CN1CCc2ccccc2C1)Cn1cc(-n2cccc2)cn1 95438863 FJGDAYZOLTXABN-LJQANCHMSA-N 322.412 2.093 0 40 DEAB COC(=O)c1ncccc1NCc1nncn1-c1ccccc1 91429897 UOUZPZIHRJBHSM-UHFFFAOYSA-N 309.329 2.061 0 40 DEAB OC[C@H]1CCCN(C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 95433510 ZCLYVVLYFOZDRE-JSGCOSHPSA-N 317.351 2.313 0 40 DEAB Cc1ccc(Cn2cccc(NC(=O)c3ccon3)c2=O)cc1 95436463 WNYUDFMVNMJRPV-UHFFFAOYSA-N 309.325 2.445 0 40 DEAB CN(CC(F)(F)F)C(=O)CNc1ncnc2ccc(F)cc12 96429616 MYGKTBARYPYPRI-UHFFFAOYSA-N 316.258 2.202 0 40 DEAB CC(C)C(=O)N1CCC[C@@H]1c1ccc(CN2CCOCC2)cn1 257269780 MRISECACSSGPLM-QGZVFWFLSA-N 317.433 2.233 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)s1 257230917 GEMRKEVBVTWANC-STQMWFEESA-N 305.403 2.091 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)c1cc(Cl)cc(Cl)c1 42477893 YBDKWFFNLBQRCQ-NSHDSACASA-N 301.173 2.392 0 40 DEAB CCN1C(=O)CC[C@@H]2N(Cc3c[nH]nc3C)CCCC[C@@]21C 257249838 JJYXENHPUZGEGF-RDJZCZTQSA-N 304.438 2.474 0 40 DEAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)c1cccnc1O 253535852 JCBBXDQYRVDMOZ-JOCQHMNTSA-N 313.357 2.302 0 40 DEAB O[C@H]1CCN(CCc2ccc(F)cc2)CC[C@@H]1n1ccnc1 257272535 NCTHBIXBFCHBIG-IRXDYDNUSA-N 303.381 2.263 0 40 DEAB Cc1cccc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)c1Cl 253370747 VLMKSEUMIAOHTI-GHMZBOCLSA-N 302.827 2.149 0 40 DEAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)CC1CCOCC1 262561094 YKOOMMBEJKEHMA-INIZCTEOSA-N 303.358 2.014 0 40 DEAB Cc1ccc(NC(=O)c2ccc(-n3cncn3)nn2)cc1Cl 96097837 UEVWKPGCLXGQHD-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB Cc1cccc(C(=O)N2CC(F)(F)C[C@]3(CCN(C)C3=O)C2)c1 585093212 JMSRNMKNCYGPCJ-MRXNPFEDSA-N 322.355 2.325 0 40 DEAB CCN(CC)CC[C@@H]1CN(C(=O)c2ccco2)Cc2ccnn21 585112929 WVYBJRCUEWXCOR-OAHLLOKOSA-N 316.405 2.405 0 40 DEAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2ccc(F)cc2)no1 58132527 HXAWMHBRZPPEBI-CWKPULSASA-N 310.350 2.398 0 40 DEAB COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cn1 60142027 CBWAUXOQQXEUGE-UHFFFAOYSA-N 309.366 2.332 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)NC[C@@H]1CCCOC1 56402241 OXBBXOFBWBHEJB-HNNXBMFYSA-N 306.406 2.408 0 40 DEAB CN(CCc1ccc(F)cc1)C(=O)[C@@H](N)Cc1ccccc1 57629620 OZZWFBMDQZOSOL-KRWDZBQOSA-N 300.377 2.397 0 40 DEAB O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1ccc2c(c1)CCCC2 75156935 ULWBTGSQUUMYRL-HUUCEWRRSA-N 309.431 2.147 0 40 DEAB C[S@](=O)c1ccc(CNCCNC(=O)C2CCCCC2)cc1 85306664 WXRPVXXQYAUQML-JOCHJYFZSA-N 322.474 2.210 0 40 DEAB O=C(CSC(=S)N1CCCC1)NC(=O)Nc1ccccc1 5603959 RLEMGVKGWRDGBY-UHFFFAOYSA-N 323.443 2.449 0 40 DEAB COc1cc(OC)cc(C(=O)N(C)Cc2cn(C)nc2C)c1 12065008 XBYYSCQXAZKWTC-UHFFFAOYSA-N 303.362 2.018 0 40 DEAB Cc1csc2nc(COC(=O)c3ccc(O)cc3)cc(=O)n12 6063481 LBFGFOPDDBTCEH-UHFFFAOYSA-N 316.338 2.127 0 40 DEAB Cc1ccnc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)n1 1888842842 OAUKDCFWCWQLSL-UHFFFAOYSA-N 324.432 2.396 0 40 DEAB Cc1nc(N2CC(Cn3ccnc3C)C2)cc(C(F)(F)F)n1 1889078053 YMBRRVQHWWQJTD-UHFFFAOYSA-N 311.311 2.445 0 40 DEAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](C(=O)O)C1 37436006 RKFYXZLLQZEWKE-GHMZBOCLSA-N 311.765 2.431 0 40 DEAB CNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(OC)cc1 10255858 UMIXGJAKTSZANA-MRXNPFEDSA-N 310.353 2.013 0 40 DEAB Cc1nn(C)cc1S(=O)(=O)N[C@H](C)CCc1ccccc1 11923701 ZNJHHFSCYJFHQX-GFCCVEGCSA-N 307.419 2.028 0 40 DEAB CCN1CCO[C@@H]2CN(Cc3cccc(OC)c3)CC[C@@H]2C1 2055729727 CGDHEGRBVSKKPR-SJLPKXTDSA-N 304.434 2.238 0 40 DEAB Cc1cc(N2C[C@H]3CN(C(=O)Nc4ccccc4)C[C@@H]3C2)ncn1 1889367491 XCJIVNNSDUVQHB-GJZGRUSLSA-N 323.400 2.385 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](B(O)OC(C)(C)C(C)(C)O)C1 200337522 MWJSHQOUSFUVSS-NSHDSACASA-N 315.219 2.044 0 40 DEAB Cc1cc(C)n(CCNC(=O)c2cc(-c3ccco3)on2)n1 44158839 SPCZBNMMRWGTGX-UHFFFAOYSA-N 300.318 2.178 0 40 DEAB Cc1ccccc1C(=O)Cn1ccn(-c2ccccc2)c(=O)c1=O 2298156881 LNNFVMXDKUNENZ-UHFFFAOYSA-N 320.348 2.191 0 40 DEAB CCCn1nnnc1CS[C@@H](C)C(=O)Nc1cccc(F)c1 40497391 CZGISEIEOSFFJH-JTQLQIEISA-N 323.397 2.483 0 40 DEAB O=c1c2ccccc2ncn1C[C@H](O)COCc1cccs1 40477401 TXTHRBLYCUQCTQ-LBPRGKRZSA-N 316.382 2.036 0 40 DEAB CC[C@H](NC(=O)CNC(=O)C(C)(C)C)c1ccccc1OC 31617495 SXODAJUHNDADOO-ZDUSSCGKSA-N 306.406 2.425 0 40 DEAB CCC1(CC)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O 51257855 LVJBRHQPAZWILD-LBPRGKRZSA-N 312.316 2.109 0 40 DEAB Cc1noc([C@@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 29661465 IRCDTYDLMJIAMB-LLVKDONJSA-N 318.352 2.036 0 40 DEAB CC(C)N1C[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)CC1=O 46332651 SFCGHQMYFVKUGZ-LSDHHAIUSA-N 301.390 2.002 0 40 DEAB CC(C)N(C(=O)Cn1nnnc1CCc1ccccc1)C(C)C 69895956 DRVOMMMZZSIJBQ-UHFFFAOYSA-N 315.421 2.104 0 40 DEAB CCn1ncc(C2=NO[C@@H](C(=O)NCc3ccccc3)C2)c1C 4435808 WOLPDLDVVLJEAU-MRXNPFEDSA-N 312.373 2.021 0 40 DEAB CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 7379179 IVTCAVPDOXVMBN-JTQLQIEISA-N 319.430 2.109 0 40 DEAB CC[C@H](c1nnc(SCCN)n1Cc1ccccc1)N(C)C 8428545 NVJILNXJONFRJX-CQSZACIVSA-N 319.478 2.390 0 40 DEAB COc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)c1 565184 CZPQGZQBYKDROA-SFHVURJKSA-N 311.337 2.416 0 40 DEAB Cc1ccc(NC2CCN(C(=O)COC3CCCC3)CC2)nn1 69917425 RJZPMMUWRUAHEE-UHFFFAOYSA-N 318.421 2.147 0 40 DEAB CCCN1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2CC)C1 69922521 DWWHPCVQOUODLW-HOTGVXAUSA-N 318.465 2.483 0 40 DEAB COCC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(OC)c1 100112230 ZGDFUIXCMNHQDU-HEHGZKQESA-N 305.374 2.100 0 40 DEAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccccc2C(N)=O)C1 103327201 AAAHTGPODDTJHQ-JHJVBQTASA-N 303.406 2.090 0 40 DEAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cnn2cccnc12 47009776 WFCCIIVPPQRTED-GXTWGEPZSA-N 302.378 2.054 0 40 DEAB CCCO[C@H]1CCCN(C(=O)[C@@H](C)NC(=O)c2ccco2)CC1 108321887 AUIPYABPZWHBKA-KGLIPLIRSA-N 322.405 2.206 0 40 DEAB Cc1ccccc1CN1CCN([C@H](C)C(=O)NC(C)C)CC1 22778383 IXGHCLYRNGKYKB-MRXNPFEDSA-N 303.450 2.026 0 40 DEAB COc1ccc(C)cc1NC(=O)CNC(=O)CCc1ccco1 23003019 BIMCRROSOVUAOJ-UHFFFAOYSA-N 316.357 2.284 0 40 DEAB COc1ccc([C@@H](NC(=O)c2cccnc2)c2nccn2C)cc1 24024920 XVXAKVSKTFQLBM-MRXNPFEDSA-N 322.368 2.343 0 40 DEAB Cc1cc([C@H](C)C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)c(C)o1 107057841 NSYADKYKDGQSBT-IFIJOSMWSA-N 320.433 2.179 0 40 DEAB Cc1csc(CNC(=O)c2cccc(N3CCOC3=O)c2)n1 44966991 PTMVKRWELJCOEF-UHFFFAOYSA-N 317.370 2.338 0 40 DEAB Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCCC1 36354239 LFRTUQQOADIZLK-UHFFFAOYSA-N 323.393 2.413 0 40 DEAB O=C(NCCC(=O)N1CCc2sccc2C1)c1ccco1 10922656 PJBISCPGCZNAKU-UHFFFAOYSA-N 304.371 2.046 0 40 DEAB Cc1n[nH]c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 11659188 GLUJXTNHBRVETO-MRVPVSSYSA-N 320.374 2.004 0 40 DEAB Cc1cc(C)c(NC(=O)CNC(=O)CN2CCCCC2)c(C)c1 12906719 NQUIXZNANKQNFT-UHFFFAOYSA-N 317.433 2.152 0 40 DEAB O=C(NC1=NCCS1)c1ccn(-c2cccc(Cl)c2)n1 48723177 CJRNQMYLKKSRIL-UHFFFAOYSA-N 306.778 2.358 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 71821031 XGTOHKOPYROPNF-GFCCVEGCSA-N 309.369 2.060 0 40 DEAB NC(=O)[C@@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CCO1 92735878 BEZWYCMMWIHNKO-AWEZNQCLSA-N 320.389 2.240 0 40 DEAB O=C1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CCN1 71857174 SBWDERPHYGHBQE-HNNXBMFYSA-N 321.808 2.323 0 40 DEAB COc1ccc(CCC(=O)NC2CCC(O)CC2)cc1OC 49909014 PULIOPVUSJDWAX-UHFFFAOYSA-N 307.390 2.056 0 40 DEAB CCN1CCC[C@H]1CNC[C@H](O)COc1c(C)cccc1C 19371574 XLADGMJAOJTUKK-IRXDYDNUSA-N 306.450 2.117 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 65488993 QBFXNECWPLLMBQ-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)N(Cc2cccnc2)C2CC2)C1 65591561 XWWNVPIITXJOJI-CYBMUJFWSA-N 309.435 2.023 0 40 DEAB NC(=O)[C@H]1CCCCN1c1nc(C(F)(F)F)nc2ccccc12 14169752 ROKPBKWMVMOXBV-LLVKDONJSA-N 324.306 2.493 0 40 DEAB O=C([C@@H]1COc2ccccc2O1)N(Cc1cccnc1)C1CC1 6663226 NOXBSHHJGATUBB-KRWDZBQOSA-N 310.353 2.413 0 40 DEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCc2ccccc21 6651877 CNQFNQWCTZURKT-UHFFFAOYSA-N 305.337 2.055 0 40 DEAB CNS(=O)(=O)c1ccccc1CNC(=O)CC1=CCCCC1 83884181 UUNXAZBKHPOJGI-UHFFFAOYSA-N 322.430 2.101 0 40 DEAB Cc1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 22195164 OAJXLUVDYFYOQU-ZDUSSCGKSA-N 317.414 2.417 0 40 DEAB CC1(C)CCC[C@H]1NC[C@H](O)CS(=O)(=O)c1cccs1 90770270 NDCXAYIESODPFQ-NWDGAFQWSA-N 317.476 2.051 0 40 DEAB CCc1ccsc1C(=O)NCCc1nc(C(=O)O)cs1 90938957 RFGGGOWZDVNWOM-UHFFFAOYSA-N 310.400 2.438 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N2CCC(C)CC2)nc1 70005612 XALNZKZNIPOCKG-UHFFFAOYSA-N 304.394 2.160 0 40 DEAB Cc1nc2ccccc2nc1CN1CCO[C@H](Cn2cccn2)C1 69392057 JQBUQGOJYXUFAO-HNNXBMFYSA-N 323.400 2.036 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69528955 XQHMXZNDSZHAAR-LSDHHAIUSA-N 303.406 2.179 0 40 DEAB C[C@H](C1CC1)N(C(=O)C[S@](=O)c1ccc(O)cc1)C1CC1 96452445 HGEFYKANKPCHNL-WSVYEEACSA-N 307.415 2.289 0 40 DEAB Cc1nc(CN2CCCN(c3nc4ccccc4o3)CC2)no1 69664866 YOKJRJNPKPJTPZ-UHFFFAOYSA-N 313.361 2.232 0 40 DEAB Cc1oc(-c2ccsc2)nc1CN[C@H]1CCc2ncnn2C1 69773669 RQMFFABPISTCTQ-LBPRGKRZSA-N 315.402 2.408 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)c1cccc(-n2cccc2)c1 84606495 FVTGUZFERNZUBO-OAHLLOKOSA-N 313.357 2.177 0 40 DEAB CCc1nn(C)c(CC)c1CNCCc1cn2c(n1)CCCC2 95439957 SUTVWHRHLRVTIL-UHFFFAOYSA-N 315.465 2.410 0 40 DEAB Cc1nc(C)c(C(=O)N2CCN(c3ccncc3Cl)CC2)o1 95438255 MPLPHPKFMZFSQU-UHFFFAOYSA-N 320.780 2.302 0 40 DEAB O=C(Nc1cccc(F)c1)N1CCC(Cn2ccnn2)CC1 89775191 DCJFAUPILKHAFG-UHFFFAOYSA-N 303.341 2.361 0 40 DEAB COCc1ccccc1NC(=O)N1CC[S@@](=O)C(C)(C)C1 89919637 MBDIJBUNJDMEMF-NRFANRHFSA-N 310.419 2.208 0 40 DEAB CCCCNS(=O)(=O)c1ccc(NC(=O)OCC)cc1 408554528 SXOVWOPWLNUEIL-UHFFFAOYSA-N 300.380 2.333 0 40 DEAB COC(=O)/N=c1\[nH]c2ccc([C@H](O)c3ccc(F)cc3)cc2[nH]1 38482288 GONRXGWUUBPRKF-CQSZACIVSA-N 315.304 2.384 0 40 DEAB in-vitro CC(C)[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccco1 79093383 FYRASIIVXDOTQE-WQYAIIHGSA-N 322.430 2.355 0 40 DEAB c1ccc(CN2CNC3=NCn4c(nc5ccccc54)N3C2)cc1 31808914 ADTRMGRFPOZAJZ-UHFFFAOYSA-N 318.384 2.190 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)Cc2ccccc2O)C1 78611487 DUAQMNVYJYCIDI-ZDUSSCGKSA-N 320.389 2.060 0 40 DEAB Cc1nc([C@@H](NC(=O)c2ccncc2)c2ccccc2F)no1 79351078 MOEYRAOHIUAAKN-AWEZNQCLSA-N 312.304 2.432 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2nc3ccccc3o2)C1 72245058 UVNQVYREXGFQQS-YPMHNXCESA-N 315.373 2.264 0 40 DEAB Cc1nnc([C@@H](C)OC(=O)[C@@H]2CC(=O)Nc3ccccc32)o1 78989124 PTGKNBCRYCDPFY-LDYMZIIASA-N 301.302 2.108 0 40 DEAB CCc1nccn1-c1cccc([C@H]2CCCN2C(=O)COC)n1 72378906 OOGITGADTHYWBT-CQSZACIVSA-N 314.389 2.140 0 40 DEAB Oc1cccc(CN2CCN(C(=S)NC3CCCC3)CC2)c1 225221276 UMKKSONCGDAXGC-UHFFFAOYSA-N 319.474 2.327 0 40 DEAB Cc1cc(CCCC(=O)NCC2(O)CCOCC2)c(C)s1 84615632 MYYBKCAKIMPJQW-UHFFFAOYSA-N 311.447 2.345 0 40 DEAB O=C(COc1ccccc1CNc1ncccn1)N1CCCC1 195573313 NWFCFFLQRITOMW-UHFFFAOYSA-N 312.373 2.090 0 40 DEAB CCOC(=O)c1cccc(N2C[C@@H](C(=O)OCC)CC2=O)c1C 45953195 KUKKVUTWPFUWOO-LBPRGKRZSA-N 319.357 2.088 0 40 DEAB CCOC(=O)C1(O)CCN(c2ncc(Cl)cc2Cl)CC1 225820778 FGAZIQAGURVTJO-UHFFFAOYSA-N 319.188 2.283 0 40 DEAB Cc1nc(NC(=O)NCc2cccc(C(F)(F)F)c2)nn1C 48115532 OJQYXQWREXIJCE-UHFFFAOYSA-N 313.283 2.464 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](N[C@@H]2C=C[C@H](CO)C2)CC1 195558618 SQDGKJAGHQPGLN-RRFJBIMHSA-N 310.438 2.303 0 40 DEAB O=C([C@H]1CN(Cc2ccco2)CC12CCOCC2)N1CCCC1 96052171 LIJYGAKGQCGZSP-MRXNPFEDSA-N 318.417 2.131 0 40 DEAB Cc1cc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)no1 96046339 OXAKLANVCJIESQ-VBNZEHGJSA-N 300.362 2.125 0 40 DEAB C[C@H](NCc1nc(C2CC2)no1)c1ccc(-n2ccnn2)cc1 96492462 FNZLUGRSTXMKDS-NSHDSACASA-N 310.361 2.379 0 40 DEAB Cc1cccnc1[C@H](N[C@@H](C)C(=O)NC[C@@H]1CCCO1)C(C)C 96424385 HAYMZDQLXWFTIF-HRCADAONSA-N 319.449 2.360 0 40 DEAB Cc1cccc(C(=O)Nc2ccc(S(C)(=O)=O)c(F)c2)n1 96425408 VJZJZGXEFITXBC-UHFFFAOYSA-N 308.334 2.185 0 40 DEAB Cc1nnc(C[C@]23COC[C@H]2CN(Cc2cccs2)C3)o1 96220621 AEKNTLSZLVHTHK-DOMZBBRYSA-N 305.403 2.131 0 40 DEAB CNc1cc([C@H]2CCCN2CC(=O)N2CCCCC2)ccn1 257338868 YZFSQDSTTPIJHM-OAHLLOKOSA-N 302.422 2.273 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2nccc3ccccc23)[C@H]1O 257215841 CRXCPLHNLWMEDO-BFYDXBDKSA-N 314.385 2.235 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)n1cc(COc2ccccc2)nn1 257173494 OYNXBTBKMNSMHS-ZDUSSCGKSA-N 314.389 2.477 0 40 DEAB Cc1ccccc1C(=O)N1CCC2(CC1)COCCN(C)C2 585102447 LZOYUAQIKZVFNU-UHFFFAOYSA-N 302.418 2.179 0 40 DEAB CCCCOc1ccc([C@@H](C)NS(C)(=O)=O)cc1OC 48671680 GRNJPOIXEIDFND-LLVKDONJSA-N 301.408 2.484 0 40 DEAB O=C([C@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 52916951 RYZSAAMVKKESKI-UKRRQHHQSA-N 303.358 2.300 0 40 DEAB O[C@H](COC[C@H]1CCCO1)CN1CCC[C@H]1c1ccsc1 58581574 NRGZWSVNGRGALB-XHSDSOJGSA-N 311.447 2.442 0 40 DEAB COCCN1CCN(CCOc2cccc(Cl)c2)C[C@@H]1C 69981674 JOVMZILKGYTAOV-AWEZNQCLSA-N 312.841 2.371 0 40 DEAB COc1ccc(NC(=O)c2cnc3c(C)cccn3c2=O)cc1 90988340 KVNJGXLDAHQOJS-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](n2c(O)nc3cccnc32)C1 575444731 FXDAEVTTXIUVMR-SNVBAGLBSA-N 304.350 2.319 0 40 DEAB CCOC(=O)CC1(N)CCN(C(=O)OCc2ccccc2)CC1 140974504 UCBXAYNYAVZSSK-UHFFFAOYSA-N 320.389 2.070 0 40 DEAB CC[C@H]1Oc2nc3ccccc3cc2CN(CCOC)C1=O 12115621 UTUGYCXUZYMKQC-OAHLLOKOSA-N 300.358 2.381 0 40 DEAB COc1ncccc1-c1cc(=O)[nH]c(N2CCC[C@H](C)C2)n1 19496634 OUWSWULBQXOMQV-NSHDSACASA-N 300.362 2.077 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1ccc(Br)cc1F 169219327 HHUPEHYQXWSBGW-ZANVPECISA-N 302.187 2.491 0 40 DEAB CCOc1ccc(CC(=O)N2CCC(n3ccnn3)CC2)cc1 155700773 SQSUWYRKJDNGIS-UHFFFAOYSA-N 314.389 2.083 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2N)cc1 226347674 PYFKQJZYTVGAJA-UHFFFAOYSA-N 319.386 2.336 0 40 DEAB O=C(Cc1ccc2c(c1)CCC2)NCc1cc2n(n1)CCCO2 556941493 NPJHJVKJFSPEOP-UHFFFAOYSA-N 311.385 2.013 0 40 DEAB CCN1C(=O)C2(CCN(C(=O)C3(F)CC3)CC2)c2ccccc21 1565545110 DNVVVUDIOMTCHI-UHFFFAOYSA-N 316.376 2.415 0 40 DEAB COCCN1C[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@H]2C1 1565542010 AMTCEUCMVYYSJS-WBVHZDCISA-N 302.418 2.096 0 40 DEAB CC(C)Sc1ccc(CC(=O)N2C[C@H]3C[C@H]2C(=O)O3)cc1 101453259 MEXXEZNTGGRWAB-OCCSQVGLSA-N 305.399 2.256 0 40 DEAB CC[C@H](C(=O)NCCOCCn1ccnc1)c1ccccc1 575621056 XMZZEZYFFUYRTF-INIZCTEOSA-N 301.390 2.210 0 40 DEAB Cc1nc([C@H]2CC[C@@H](O)[C@H](N(C)C)C2)n(-c2ccccc2)n1 2332241500 AOYULMPIRVBCEC-NUEKZKHPSA-N 300.406 2.134 0 40 DEAB Sc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 376941 NAEYWNYYKIWHCL-UHFFFAOYSA-N 302.388 2.057 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CCC(CN2CCOCC2)CC1 20532068 OFGZGPXFPXEONA-UHFFFAOYSA-N 321.396 2.402 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)CCc2ccco2)C[C@@H](C)O1 21063932 RVWPNDSDBRVEPF-ZIAGYGMSSA-N 308.422 2.216 0 40 DEAB Cc1ccnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 250979 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CNC(=O)CCN(C)C(=O)Nc1cc(-n2cccc2)ccc1F 95397042 FKUPZGYDZBJYRX-UHFFFAOYSA-N 318.352 2.216 0 40 DEAB Cc1ccccc1OCCOC(=O)c1n[nH]c(=O)c2ccccc12 23077174 FHMRTRASQXJBQS-UHFFFAOYSA-N 324.336 2.467 0 40 DEAB O=C(Nc1nc[nH]n1)c1cccc(OCc2cscn2)c1 23141596 KSCNECJWKMNSCO-UHFFFAOYSA-N 301.331 2.093 0 40 DEAB CCO[C@@H](C)c1nc(Cn2nc3ccccn3c2=O)cs1 72292673 VNDFKCSFFRGVFP-JTQLQIEISA-N 304.375 2.098 0 40 DEAB CN(C)CC1CCN(C(=O)NCCCOCc2ccco2)CC1 95351157 YXHLYZGAFCCHSI-UHFFFAOYSA-N 323.437 2.170 0 40 DEAB Cc1cccc(OCc2nnc3n(C)c(=O)c4ccccc4n23)c1 12544156 BBERWPIMJSSWJN-UHFFFAOYSA-N 320.352 2.469 0 40 DEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)N[C@H]1CCCc2ccccc21 102303447 OLZRUUNVPMTXAG-QXKUPLGCSA-N 315.369 2.058 0 40 DEAB Cc1nnc(-n2nccc2-c2ccc(Cl)cc2Cl)n1N 1383488 DHIBKZNAWIQASW-UHFFFAOYSA-N 309.160 2.460 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1 1456534 NXUGSBJBBMKJQT-GFCCVEGCSA-N 321.373 2.119 0 40 DEAB Cc1cc(C)cc(C2(C(=O)N[C@H](C)CN3CCCC3=O)CC2)c1 55815546 WXGMWIWGCIQUBU-OAHLLOKOSA-N 314.429 2.462 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1cnc2ccccc2c1=O 3245357 BIZJRTZKOQXPBJ-CYBMUJFWSA-N 319.364 2.374 0 40 DEAB CO[C@@]1(C)C[C@@H](NC(=O)N2CCC(n3ccnc3)CC2)C1(C)C 84668200 ZLFPBQVZSZSEPN-PBHICJAKSA-N 320.437 2.433 0 40 DEAB COc1ccccc1N1CCC[C@@H](Nc2nccn3cnnc23)C1 95404347 LCCDOVHNSMXLTI-CYBMUJFWSA-N 324.388 2.214 0 40 DEAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(=O)O)C(C)(C)C 35389877 VPULTWFNWJAFCW-XUIVZRPNSA-N 313.785 2.011 0 40 DEAB Cc1ccc(NC(=O)C(=O)Nc2cnc3onc(C)c3c2)cc1 72286820 FLQUCWDUUSOCIM-UHFFFAOYSA-N 310.313 2.417 0 40 DEAB C[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 100472676 GDYZQHMAUYZCAF-VZKILSJISA-N 309.406 2.196 0 40 DEAB CCc1cc(=O)c2cc(NC(=O)NCCCOC)ccc2[nH]1 95466951 WEKHFXGNAITSDO-UHFFFAOYSA-N 303.362 2.249 0 40 DEAB CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 57355466 BBNDXOHKXOPFEZ-NVXWUHKLSA-N 318.417 2.139 0 40 DEAB Cc1ncc2c(n1)CCN(C(=O)N[C@H](C)Cc1ccco1)C2 44970283 ONTCLWSCPCDMSP-LLVKDONJSA-N 300.362 2.077 0 40 DEAB NC(=O)c1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 44908458 XINRGERFRFIAKA-UHFFFAOYSA-N 318.336 2.495 0 40 DEAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)C(=O)c1cnn(C)c1 58407102 FRRDTSMWRRMADS-JTQLQIEISA-N 305.765 2.004 0 40 DEAB Cc1nn(C)c2ncc(C(=O)N3CCc4ccccc4C3)cc12 12794069 CQQOFRSFTAQPOG-UHFFFAOYSA-N 306.369 2.475 0 40 DEAB Cc1nn(C)c2sc(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)cc12 78156717 CCOMYUPRHGOVAJ-BIMULSAOSA-N 319.430 2.487 0 40 DEAB CCCCOCCCNC(=O)N[C@H](C(=O)OC)[C@@H](C)CC 13477958 XAHJMFMRXKERND-STQMWFEESA-N 302.415 2.080 0 40 DEAB CCc1cccc(OC[C@@H](O)CNC[C@@H]2CCCN2CC)c1 19365404 QVEYJYLYMHELRN-IRXDYDNUSA-N 306.450 2.063 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)[C@H]3CCCCN3C(C)C)C2)no1 72294954 VUEUKPYBCJCJIY-LSDHHAIUSA-N 320.437 2.347 0 40 DEAB S=C(NCCc1c[nH]c2ccccc12)NC[C@@H]1CCCO1 6333433 JIKPSEVNIMSVRJ-ZDUSSCGKSA-N 303.431 2.354 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2c([nH]c1=O)CCCC2=O 65564770 XGEUABWEXBRDQU-PHIMTYICSA-N 302.374 2.297 0 40 DEAB Cc1ccc([C@@H](CNC(=O)NCc2ccccn2)N(C)C)cc1 65608788 NFNJHZZQRRNANC-QGZVFWFLSA-N 312.417 2.492 0 40 DEAB Cc1cnc(N(C)C[C@@H]2CCCO2)nc1N(C)C[C@H]1CCCO1 84258607 DVYXHQHPJUSQEK-CABCVRRESA-N 320.437 2.015 0 40 DEAB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(-n2cncn2)cc1 14266094 UMJBZNQAHRBLNF-LLVKDONJSA-N 320.360 2.117 0 40 DEAB O=C(NC1CCCC1)c1cccc(N2CCCCS2(=O)=O)c1 5439000 FVQPEIVKVDZNBN-UHFFFAOYSA-N 322.430 2.289 0 40 DEAB Cc1nn(C)c(C)c1C(=O)C(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65813986 JGUUPDYYNAASDP-DGKWVBSXSA-N 315.417 2.257 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)on1 97198136 CCCWPBRUVXBNOD-NSHDSACASA-N 302.378 2.222 0 40 DEAB Cc1c(NC(=O)c2ccncc2)c(=O)n(-c2ccccc2)n1C 4713720 QFDFKHPDCFKGJY-UHFFFAOYSA-N 308.341 2.132 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1CCCOc1ccccc1 15027169 HSFRMIAQIHIIIK-SFHVURJKSA-N 310.397 2.368 0 40 DEAB C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)N1CCNC1=O 7742784 XMHXNFILGWOGJH-VIFPVBQESA-N 324.406 2.150 0 40 DEAB CC(C)[C@H](NC(=O)Cn1ccccc1=O)c1nc2ccccc2[nH]1 7990734 KJGGSTOUBBANMZ-KRWDZBQOSA-N 324.384 2.238 0 40 DEAB Cc1cc(NC(=O)N(C)CC(C)(C)CN2CCOCC2)ccn1 96494158 XDRXZWJVHAMANZ-UHFFFAOYSA-N 320.437 2.212 0 40 DEAB O=C(NCc1ccccc1-n1ccnc1)[C@@H](O)c1ccccc1 91211798 WAIVKHVCZVWMTB-KRWDZBQOSA-N 307.353 2.222 0 40 DEAB Cc1nnc2n1CCN(C(=O)C1(c3ccc(F)cc3)CCC1)C2 69489003 QFBWSPHFHRSGME-UHFFFAOYSA-N 314.364 2.190 0 40 DEAB c1ccc(-n2ccc(CN3CCC[C@@H]3Cn3cncn3)n2)cc1 69582991 AJJRLUPCFGWACR-QGZVFWFLSA-N 308.389 2.128 0 40 DEAB CNC(=O)NC(=O)CCN(Cc1ccco1)c1ccccc1 69697481 PCPPJBMNJWWONX-UHFFFAOYSA-N 301.346 2.132 0 40 DEAB CN(C)c1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)ccn1 71865276 TVPVDEGWAVFNTJ-HNNXBMFYSA-N 313.405 2.039 0 40 DEAB O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1cc(F)ccc1F 69846498 MHTKHHOMAYTMLY-LRDDRELGSA-N 322.359 2.002 0 40 DEAB COc1ccc([C@@H](C)[C@H](C)NCC2(C(N)=O)CCOCC2)cc1 95420237 YBHHQYDNVRTGEF-KBPBESRZSA-N 320.433 2.059 0 40 DEAB CCCN(CC(=O)Nc1c(C)n[nH]c1C)C[C@H]1CCCCO1 71908270 KXHVAYVMWNHXTP-CQSZACIVSA-N 308.426 2.246 0 40 DEAB C[C@@H]1CN(CCCNC(=O)c2ccc(Cl)o2)C[C@@H](C)O1 73689100 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2.134 0 40 DEAB CCOCCCCNC(=O)Nc1ccc(C(=O)NC)cc1C 47541496 GJEKJSABTVKDRL-UHFFFAOYSA-N 307.394 2.293 0 40 DEAB CC(=O)Nc1cccc(CNC(=O)N[C@H](C)[C@H]2CCCO2)c1 48567144 WTQIGVRLUPQBNM-IAQYHMDHSA-N 305.378 2.012 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)c1scnc1Cl 49388739 UURNTUGSDQZGMX-UHFFFAOYSA-N 305.787 2.051 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1ccccn1)c1ccc(OC)cc1 71049136 YGAHOAOWLHVSOZ-OAHLLOKOSA-N 314.341 2.124 0 40 DEAB CC(C)c1cc(C(=O)N2CC[C@H](N)C2)c2cnn(C(C)C)c2n1 97019563 ZXYMCGXDUBVWTN-LBPRGKRZSA-N 315.421 2.309 0 40 DEAB C[C@H](NCc1nnc(C2CC2)n1C)c1ccc(-n2ccnn2)cc1 97230816 PAIZDNRDUMOBPQ-LBPRGKRZSA-N 323.404 2.124 0 40 DEAB COC(=O)/C=C(\Nc1ccc(C(F)(F)F)cc1)C(=O)OC 100282125 QRBIIAJFVJMRAY-YFHOEESVSA-N 303.236 2.347 0 40 DEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1ccco1)[C@@H]3C2 169566266 UOYDUVPCSCSWOV-HCKVZZMMSA-N 309.387 2.260 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)NCCC1=CCCC1)CC2 164664997 IEQPFDLYIIXIKS-HOTGVXAUSA-N 322.449 2.448 0 40 DEAB COC(=O)c1cc(CNC(=O)/C=C/c2ccco2)ccc1OC 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312.417 2.334 0 40 DEAB Cn1ccnc1CC1CCN(c2nc3ccccc3c(=O)[nH]2)CC1 105793664 XLHDDSMVIFPLKH-UHFFFAOYSA-N 323.400 2.116 0 40 DEAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1c[nH]ccc1=O 47672210 GIBYNAHPAZJNGW-UHFFFAOYSA-N 310.353 2.465 0 40 DEAB O=C(CN1CCN(c2ccccc2O)CC1)Nc1ccccc1 57364041 YVFBOSBHDQZSLR-UHFFFAOYSA-N 311.385 2.153 0 40 DEAB CCO[C@H](C)c1nc(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)cs1 78896342 PBESCJYWNLSOID-DMDPSCGWSA-N 311.451 2.263 0 40 DEAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C1 3237344 ZLHRTCYTYUCXFP-CYBMUJFWSA-N 304.390 2.168 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)c2ccc3c(c2)CCCC3)CCS1(=O)=O 97002300 HOOQIFOXNNKVCZ-OLZOCXBDSA-N 321.442 2.213 0 40 DEAB O=C(CCN1CCCC[C@H]1CCO)N1CCc2ccccc21 69249644 QQDSIIRTOXYZRO-INIZCTEOSA-N 302.418 2.203 0 40 DEAB O=c1onc(-c2ncccn2)n1Cc1cccc2ccccc12 58377655 ZSZOUTAQFMCDMZ-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)COC4)C2)no1 72231699 KVSSMBKSDBKNOW-CYBMUJFWSA-N 313.357 2.428 0 40 DEAB COc1c(CNC[C@@H](c2cccc(F)c2)N(C)C)c(C)nn1C 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QIKRVBKPCNWHMZ-XHSDSOJGSA-N 321.465 2.118 0 40 DEAB CCOCc1cc(C(=O)NCC(C)(C)C(=O)O)ccc1OC 95425508 JZZWIERYODMYMA-UHFFFAOYSA-N 309.362 2.072 0 40 DEAB CCCN(C)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 95993850 ZGXUXORDFPQBAR-UHFFFAOYSA-N 312.313 2.053 0 40 DEAB O=C(O)C[C@H](NC(=O)c1cnsn1)c1ccccc1Cl 95954008 LNCFTQVEKKRYDV-VIFPVBQESA-N 311.750 2.137 0 40 DEAB Cn1ccnc1CN1CCOC[C@H]1c1nc(-c2ccccc2)c[nH]1 67898634 JZVBTAGDJXBGIA-INIZCTEOSA-N 323.400 2.384 0 40 DEAB biogenic,in-vitro Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@@H](O)c1ccccc1F 89522778 KDEVMYPQHXKHLW-MGPLVRAMSA-N 319.380 2.194 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)Nc1nc(-c2ccccc2)ns1 89938243 OMLUAECDPOOJHT-NSHDSACASA-N 317.418 2.373 0 40 DEAB CC(C)(C)NC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408721153 DGPOSLKMTNUSRD-UHFFFAOYSA-N 323.352 2.411 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@@H]2[C@@H](C1=O)c1ccc(O)cc1N2C 39960647 PLKZPALLQJMCCO-MJEQTWJJSA-N 311.385 2.478 0 40 DEAB O=C(CNC(=O)c1ccc(F)c(F)c1)Nc1cccc(O)c1F 126660745 HMQQIHUHPFXQAC-UHFFFAOYSA-N 324.258 2.178 0 40 DEAB Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2C)cc1C 32508741 KAUQUTQYGRLLGE-UONOGXRCSA-N 324.471 2.004 0 40 DEAB COc1cc(N2CCc3cc(OC)c(OC)cc3C2)ncn1 127671000 VUMNIXOMIORBLG-UHFFFAOYSA-N 301.346 2.065 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](O)(CN)c1ccccc1 72207997 DBFWNSCDJLQVOI-RHSMWYFYSA-N 306.406 2.232 0 40 DEAB Cc1ccnc([C@H]2CCCCN2S(=O)(=O)c2cccnc2)n1 72364434 GJXLWMFSYWBOBB-CQSZACIVSA-N 318.402 2.096 0 40 DEAB CCOc1ccc(NC(=O)NC[C@H](C)O)cc1Br 189500913 UJCKMXWIBVELFP-QMMMGPOBSA-N 317.183 2.350 0 40 DEAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)C1=CCCC1 135551747 OFAQHMKKTHRKNI-SFHVURJKSA-N 314.429 2.370 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCc1cccs1)O2 40779208 WQRMUNUPLVSBCL-MRXNPFEDSA-N 316.382 2.463 0 40 DEAB CCOc1ccc2cc(S(=O)(=O)NCCOC)ccc2c1 41092004 UAENWHASZKDWJD-UHFFFAOYSA-N 309.387 2.163 0 40 DEAB CNC(=O)c1cc(NC(=O)c2c(O)cccc2F)ccc1F 225396951 DRHOSTKTQNLUAO-UHFFFAOYSA-N 306.268 2.282 0 40 DEAB COC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 47952595 OWJVYIIMLGGEKH-UHFFFAOYSA-N 323.773 2.051 0 40 DEAB Cc1cc(O)nc([C@H](C)N2CCO[C@H](c3nc(C)cs3)C2)n1 192561907 YLEUWIYKNQRDOC-RYUDHWBXSA-N 320.418 2.390 0 40 DEAB C[C@H](CNC(=O)NC[C@H]1CCOC1)Oc1cccc(Cl)c1 96439431 DJJWBMJUXGZTMH-VXGBXAGGSA-N 312.797 2.443 0 40 DEAB Cc1cccc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 97096624 PPUKVVGDORDPPL-OAHLLOKOSA-N 323.462 2.221 0 40 DEAB Cc1ccc(N2CCC[C@@]3(CCN(c4cccnc4)C3=O)C2)nn1 96224533 ZKGYLXZEHHJPFC-GOSISDBHSA-N 323.400 2.204 0 40 DEAB CNC(=O)[C@H]1C[C@@H]2CCN(Cc3ccccc3Cl)C[C@H]2O1 96042750 DHAXNPJORFRVEW-NILFDRSVSA-N 308.809 2.065 0 40 DEAB NC(=O)N1CCC2(CC1)C(=O)N(c1cccnc1)c1ccccc12 96078910 HFWLTGIIVIGHMX-UHFFFAOYSA-N 322.368 2.172 0 40 DEAB Cc1ccc(N2CC3(C[C@@H](Oc4ccccn4)CS3)C2)nn1 247936604 SMPUUJJRYMRIDW-CYBMUJFWSA-N 314.414 2.323 0 40 DEAB O=S(=O)(NCCCc1cnoc1)c1cccc2cccnc12 252508984 YADQTIOZXJYGNB-UHFFFAOYSA-N 317.370 2.134 0 40 DEAB Cn1c(CN2CCO[C@@H](c3cccc(N)n3)C2)nc2ccccc21 257233107 GNVYKEVIALFEJT-MRXNPFEDSA-N 323.400 2.124 0 40 DEAB COc1ccc(C(=O)NCCn2ccc(-c3ccncc3)n2)cc1 96026120 WQIKFZHRVAXIGV-UHFFFAOYSA-N 322.368 2.384 0 40 DEAB CCOCC(=O)N1CCc2[nH]nc(-c3ccccc3C)c2CC1 585110443 XAXCSRPKGZHPQK-UHFFFAOYSA-N 313.401 2.349 0 40 DEAB CCc1cc(CN2CC[C@@](O)(COc3cccc(F)c3)C2)on1 585276319 ICTBCJPHZRKVAI-KRWDZBQOSA-N 320.364 2.392 0 40 DEAB Cc1ccc(OC[C@@]2(O)CN(C3CCCC3)CC[C@@H]2O)cc1 585284232 VWFSJKIQPWVKRC-ROUUACIJSA-N 305.418 2.114 0 40 DEAB CCCCNC(=O)CNc1cc(Cl)ccc1C(=O)NCC 55874411 MFWWEIAAHLLLEP-UHFFFAOYSA-N 311.813 2.418 0 40 DEAB Cc1cc(C)cc(NCCC(=O)NCCC(=O)NC(C)C)c1 58355620 HUUXKOJUGOXYHP-UHFFFAOYSA-N 305.422 2.136 0 40 DEAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cn(C)nn2)no1 570197300 ZJBNMJWZKNJQGM-GFCCVEGCSA-N 318.381 2.079 0 40 DEAB O=C(NCC1CCN(CC2CCCCC2)CC1)c1cnccn1 12115076 MZULZYJXPQFTDJ-UHFFFAOYSA-N 316.449 2.499 0 40 DEAB O=c1oc2ccccc2n1[C@H]1CCCN(C[C@@H]2CCOC2)C1 12336915 DLCHUJATCCOBPN-KBPBESRZSA-N 302.374 2.268 0 40 DEAB CC(C)COc1ccc(CCN(C)c2ncnc(N)n2)cc1 16808388 IFUKCWWAXBZJMS-UHFFFAOYSA-N 301.394 2.168 0 40 DEAB O=C(O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 17053238 OLZRUUNVPMTXAG-RBGFHDKUSA-N 315.369 2.058 0 40 DEAB COc1cccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1 19120665 ZOFPEFCKHSWUNP-RHSMWYFYSA-N 302.374 2.339 0 40 DEAB O=C(NCc1ccc(Cl)cc1)N1CC[C@@H](n2ccnn2)C1 206933130 ZEVCQYAQUODGQZ-CYBMUJFWSA-N 305.769 2.088 0 40 DEAB O=CN1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)CC1 2582329 RGOHUWBULZWEDZ-DUXPYHPUSA-N 313.184 2.307 0 40 DEAB CN1CCC(CNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 22999740 UZCSBHGFAXINKX-UHFFFAOYSA-N 322.474 2.186 0 40 DEAB C[C@@H](c1ccccc1)N1CCO[C@H](C(=O)N2CCCCC2)C1 1888844295 RLVUHZXXSJVMQQ-RDJZCZTQSA-N 302.418 2.461 0 40 DEAB O=C(Nc1cccs1)N1CCN(c2cccnc2)C(=O)C1 1565520484 WHGXCIDJHRTFOM-UHFFFAOYSA-N 302.359 2.024 0 40 DEAB O=C(c1ccsc1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@H]21 1565543183 KEVBMSYIWAFPBA-GDBMZVCRSA-N 313.426 2.490 0 40 DEAB CCCS(=O)(=O)NCCc1csc(-c2cccnc2)n1 4166894 MFYBGQBLMOPDQS-UHFFFAOYSA-N 311.432 2.077 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@H](C)O[C@H](C)C1 18059603 LTNMWCXEMKGURC-PHIMTYICSA-N 300.358 2.295 0 40 DEAB CN(C)C(=O)N1CCC(CNC(=O)/C=C/c2ccsc2)CC1 585148428 FFMOUTZINXKBGL-ONEGZZNKSA-N 321.446 2.271 0 40 DEAB COc1ccc(-c2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)cc1 101298742 ZMDQIRLVVJOLPO-UHFFFAOYSA-N 310.235 2.112 0 40 DEAB Cc1cccc2sc(NC(=O)c3nn(C)cc3C(=O)O)nc12 20614483 GIBMIRBIWQFXDJ-UHFFFAOYSA-N 316.342 2.289 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(Cl)cc1 21110252 FGXMVHWXHHYPDA-UHFFFAOYSA-N 317.776 2.414 0 40 DEAB Cc1ccc(N(C)C(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 60352204 NAMLWYLRHZGGIJ-NSHDSACASA-N 314.307 2.369 0 40 DEAB CCCn1nnnc1NC(=O)c1ccc(OCC(C)C)cc1 569464 CTOXHAWSTSXFOW-UHFFFAOYSA-N 303.366 2.370 0 40 DEAB Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)cc1 2750144 IUMABRXCUXYRND-UHFFFAOYSA-N 311.337 2.151 0 40 DEAB CCCC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1 1381434 BBEJAMKWTSGHDK-UHFFFAOYSA-N 316.452 2.284 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2cccn2C)cc1Cl 3512139 KEMPVGOHHQVGOC-UHFFFAOYSA-N 322.748 2.483 0 40 DEAB Cc1cc(Br)ccc1CC(=O)NC[C@H](O)C1CC1 97048413 SDFLUWNUVDYFPM-ZDUSSCGKSA-N 312.207 2.187 0 40 DEAB CCOc1ccc2[nH]c(=O)c(CNC[C@@H]3CCCO3)cc2c1 6493512 RIXUAIMNEPAEHA-HNNXBMFYSA-N 302.374 2.195 0 40 DEAB O=C(Nc1cccc2ncccc12)c1cccc(-n2cnnn2)c1 8342760 UWEMXABMUFDWCZ-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB COc1cc2nc(CN3CCCCCC3)[nH]c(=O)c2cc1OC 33377882 JDLKLQASFVXIDO-UHFFFAOYSA-N 317.389 2.316 0 40 DEAB CCc1cccc(C)c1NC(=O)Cn1cc(C(=O)O)ccc1=O 41670346 SDZOTPUUVLPCOT-UHFFFAOYSA-N 314.341 2.056 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccc(NC(=O)NC2CC2)cc1 42091732 BURVAKOBLHPMEI-SDXDJHTJSA-N 316.386 2.112 0 40 DEAB COc1ccc(OC)c(Nc2nc(N)nc3c2nc(C)n3C)c1 57279213 CGZFHMJMTMHECG-UHFFFAOYSA-N 314.349 2.015 0 40 DEAB Cc1nn(C)c2ncc(NS(=O)(=O)c3cccs3)cc12 22756294 LSJLTJKYFGMNQV-UHFFFAOYSA-N 308.388 2.139 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCn3ccnn3)C2)sc1C 72297445 XXYNANDFZGGSOE-ZDUSSCGKSA-N 319.434 2.148 0 40 DEAB Cc1ncc(CN2CCC3(CC(Nc4ncccn4)C3)C2)cn1 108525605 UMIIBBYLJMUZKU-UHFFFAOYSA-N 310.405 2.042 0 40 DEAB CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2cc(C(C)C)no2)C1 24218263 ZXLCGHYVILFMEM-GFCCVEGCSA-N 323.393 2.012 0 40 DEAB Cc1n[nH]c(C)c1S(=O)(=O)N(C)Cc1ccc(F)cc1F 25066202 IFEFCNUOYZFKDS-UHFFFAOYSA-N 315.345 2.125 0 40 DEAB Cc1cc(NC(=O)C(=O)N(Cc2ccco2)C2CCCC2)no1 97000615 CBMRTTMOIXZDHC-UHFFFAOYSA-N 317.345 2.486 0 40 DEAB CS(=O)(=O)c1ccccc1NC(=O)NCc1cccs1 43929399 AZZZIAPETKZGNT-UHFFFAOYSA-N 310.400 2.473 0 40 DEAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccccn1 108350635 JRROMWFEAHNFHC-HXJQXMRFSA-N 300.358 2.339 0 40 DEAB C[C@@H]1c2cccn2CCN1C(=O)CNC(=O)CCC1CCCC1 72282665 NQUOQYKGSGRKNM-CQSZACIVSA-N 317.433 2.478 0 40 DEAB O=C(C1CCN(Cc2nnsc2Cl)CC1)N1CCCC1 44892898 CXZILEYOZZGZLG-UHFFFAOYSA-N 314.842 2.026 0 40 DEAB O=C(NC[C@H](c1cccs1)N1CCCC1)N1CCC(O)CC1 44893066 CRSLMXVESQQVHC-CQSZACIVSA-N 323.462 2.051 0 40 DEAB COc1ccc(C(=O)Nc2cnn(Cc3ccccn3)c2)c(O)c1 58230133 ISMKCFKYDQPMMM-UHFFFAOYSA-N 324.340 2.293 0 40 DEAB O=C(Nc1ccc(CNC(=O)[C@H]2CCCO2)cc1)c1ccco1 11145754 HGARSOOLVYAXOX-CQSZACIVSA-N 314.341 2.327 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cn2cncn2)cc1 11607939 POTXSUFBCRZPBJ-UHFFFAOYSA-N 322.324 2.307 0 40 DEAB O=C1CC2(CCN(C(=O)c3cc(Cl)ccc3F)CC2)CN1 91393524 CLHRLVRTFLAGNP-UHFFFAOYSA-N 310.756 2.221 0 40 DEAB O=C(NCc1noc(-c2ccco2)n1)c1n[nH]c2ccccc12 63251089 UZVMHMQDHYQZMD-UHFFFAOYSA-N 309.285 2.136 0 40 DEAB CCCCN1C[C@H](C(=O)Nc2ccc(C(C)=O)cc2)CC1=O 8269977 AYNNVMJYGWOJAJ-CQSZACIVSA-N 302.374 2.476 0 40 DEAB Cn1ncc2c(N3CCC(Nc4ccccc4)CC3)ncnc21 64113926 XKBXJNYUYXKXFY-UHFFFAOYSA-N 308.389 2.444 0 40 DEAB COC(=O)C[C@H](C)NC(=O)CCC(=O)c1ccc(Cl)s1 49592609 NJBOKZHIRZBMRO-QMMMGPOBSA-N 317.794 2.432 0 40 DEAB CCc1cc2c(SCC(=O)N3CCCC3=O)ncnc2s1 8394792 XHUZOSGXXZQUPC-UHFFFAOYSA-N 321.427 2.495 0 40 DEAB COCCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(F)cc1 69417765 MAFPTAYORQROKZ-HIFRSBDPSA-N 309.337 2.227 0 40 DEAB Cc1[nH]c2ccc(C(=O)NCCc3nnc4n3CCC4)cc2c1C 65612078 LXLSHIPROFWBJC-UHFFFAOYSA-N 323.400 2.295 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCC1(N(C)C)CCCCC1)CN2 65621294 OEGCPRYCJSUSEB-HNNXBMFYSA-N 305.470 2.087 0 40 DEAB Cc1csc(SCc2ccccc2C(=O)OCC(N)=O)n1 5426734 IYODQAILVWQYNT-UHFFFAOYSA-N 322.411 2.386 0 40 DEAB CCOc1ccc(-n2nnc(C(=O)O)c2-c2ccccn2)cc1 67323674 QUMZMKPCQLZPOK-UHFFFAOYSA-N 310.313 2.426 0 40 DEAB in-vitro COC(=O)Cn1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)n1 67836756 GYQLHEJCRWRNTI-UHFFFAOYSA-N 317.389 2.067 0 40 DEAB COC(=O)CCS[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 7658556 SCUQJWQOFJHQQP-VIFPVBQESA-N 311.359 2.039 0 40 DEAB CCN(CC)C(=S)SCC(=O)c1ccc2[nH]c(=O)[nH]c2c1 7813754 JLRFIIDUHINAGB-UHFFFAOYSA-N 323.443 2.399 0 40 DEAB CNC[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 71142788 KMIQRQDPPZSCRZ-SECBINFHSA-N 315.186 2.270 0 40 DEAB Cc1cccc2c(=O)[nH]c(CSc3nnnn3C(C)C)nc12 9053473 SLRREUADQPTMDL-UHFFFAOYSA-N 316.390 2.091 0 40 DEAB O=C(CCNC(=O)c1coc2ccccc12)NCc1ccccn1 97109035 PYTHZVBOLQNNDA-UHFFFAOYSA-N 323.352 2.264 0 40 DEAB Cc1csc([C@H](C)CNC(=O)Nc2cncnc2N(C)C)n1 97113548 HFMGKDZYLWJARA-SECBINFHSA-N 320.422 2.233 0 40 DEAB CNC(=O)[C@H](NC(=O)c1ccoc1C)c1ccc(F)c(F)c1 71417673 SHOVWUYWMRLMDH-CYBMUJFWSA-N 308.284 2.083 0 40 DEAB Cc1ccc(-c2nnn(Cc3nc(-c4cccnc4)no3)n2)cc1 9513304 QFANRJKHWRSHPQ-UHFFFAOYSA-N 319.328 2.142 0 40 DEAB O=C1N=C(O)C[C@@H]1N(C(=O)c1cccc(OC(F)F)c1)C1CC1 97298247 MUTKKXYXVWOGRQ-NSHDSACASA-N 324.283 2.148 0 40 DEAB Cc1cn2nc(NCC[S@](=O)Cc3ccccc3)sc2n1 71893761 MMAAAHLMDRWDDZ-OAQYLSRUSA-N 320.443 2.460 0 40 DEAB Cn1c(CN[C@@H](c2cccs2)C(C)(C)C)cc(=O)n(C)c1=O 71817087 JNGAKYJOUWJMQV-AWEZNQCLSA-N 321.446 2.023 0 40 DEAB CC(C)n1ccc(CC(=O)NC[C@H](C)CN2CCCCC2)n1 71916698 FALAHXUKQPNTSY-HNNXBMFYSA-N 306.454 2.245 0 40 DEAB O=C(NCCCN1CCCC1=O)N[C@H](c1ccccc1)C1CC1 9878707 RKODIBAIJRTROK-QGZVFWFLSA-N 315.417 2.449 0 40 DEAB NC(=O)[C@@H]1CCCCN1Cc1nn(-c2ccccc2)c2c1CCC2 84572706 JZTQANJPZXPOMR-SFHVURJKSA-N 324.428 2.201 0 40 DEAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)n[nH]1)c1cnccn1 95394504 KBGXWPWIVJNXLS-UHFFFAOYSA-N 306.329 2.003 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC[C@H]2Cc3ccccc32)nc1 95459729 GAUSKZCNNBYPBR-CYBMUJFWSA-N 317.414 2.084 0 40 DEAB CCSCC[C@H](C)NC(=O)N1CCC(n2cncn2)CC1 84812079 CGFUKYHMPDOXJF-LBPRGKRZSA-N 311.455 2.156 0 40 DEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)NC(C)(C)CO 84908991 SLDDDKVLIOOQEH-UHFFFAOYSA-N 307.394 2.107 0 40 DEAB CCN(Cc1ccccn1)[C@H]1CCCN(CC(F)(F)F)C1=O 95975877 DHZYJGNYCCCDQU-ZDUSSCGKSA-N 315.339 2.457 0 40 DEAB Cn1cc(N2CCC[C@@H](SCC3CCOCC3)C2=O)cn1 95962204 AYTWUUUECNASNK-CQSZACIVSA-N 309.435 2.075 0 40 DEAB CO[C@H](C)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 95995400 KVLNBZQPLUTGGC-SECBINFHSA-N 305.300 2.100 0 40 DEAB CN(C)C(=O)N1CCN(c2ccc3ccc(F)cc3n2)CC1 89312036 QVDILHYBWBLSHB-UHFFFAOYSA-N 302.353 2.178 0 40 DEAB Cn1ccnc1[C@@](O)(CCNC(=O)OC(C)(C)C)C(F)(F)F 89662632 OWHVGOHPXKZXMD-LBPRGKRZSA-N 323.315 2.085 0 40 DEAB CCCn1nc(C)c(CNCCc2nnc3ccccn23)c1C 89960635 HYGWFQIUZVCQIV-UHFFFAOYSA-N 312.421 2.285 0 40 DEAB O=C(NC1CC1)C1CCN(c2ncnc3sccc23)CC1 54837466 XAJWPXIQZFAMJY-UHFFFAOYSA-N 302.403 2.186 0 40 DEAB Cc1cc2oc(=O)cc(CN3CCC(C(N)=O)CC3)c2cc1C 3432563 CKUJSZJXFJAZPX-UHFFFAOYSA-N 314.385 2.107 0 40 DEAB biogenic COC(=O)[C@](NC(C)=O)(c1c[nH]c2ccccc12)C(F)(F)F 78397080 BVGNPTUNGRTART-CYBMUJFWSA-N 314.263 2.235 0 40 DEAB O=C(O)c1conc1[C@H](O[C@H]1CCCCO1)c1cccnc1 504386211 KTJDIAGFQMFWLI-GXTWGEPZSA-N 304.302 2.400 0 40 DEAB CCc1ncc(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cn1 218762688 CTDUVWYIPWGGPA-INIZCTEOSA-N 324.384 2.306 0 40 DEAB c1cc(-c2c[nH]c([C@@H]3COCCN3C3CCOCC3)n2)ccn1 72322062 LDJKDUBLYOZDCS-INIZCTEOSA-N 314.389 2.024 0 40 DEAB biogenic,in-vitro CC(=O)c1cccc(NC(=O)N2CCC[C@@]3(CCNC3)C2)c1 521983036 CFLXWJVXWGKBGS-KRWDZBQOSA-N 301.390 2.497 0 40 DEAB CC(C)CN1CCO[C@H](COC(=O)c2ccc(Cl)cn2)C1 77957257 SUTFPKPXBBHXEV-ZDUSSCGKSA-N 312.797 2.249 0 40 DEAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccccc1F 224296177 UWJGBHYHMYAXLS-UHFFFAOYSA-N 324.381 2.099 0 40 DEAB COc1c(C)c2c(c(O)c1CC[C@@]1(C)CCC(=O)O1)C(=O)OC2 44136507 GNWIDHOJWGSPTK-KRWDZBQOSA-N 320.341 2.408 0 40 DEAB in-vitro CCn1c(Cl)nc2cc(C(=O)NCCCN(C)C)ccc21 225987851 FCIODQVTPURQFO-UHFFFAOYSA-N 308.813 2.391 0 40 DEAB C[C@H](NC(=O)COc1ccccc1)C(=O)NC1CCCCC1 46467004 ALSHZZOVRYLDFA-ZDUSSCGKSA-N 304.390 2.019 0 40 DEAB CCOC(=O)c1cccc(NC(=S)NCCCOC)c1C 225283823 UXHPFHKQYJPVEI-UHFFFAOYSA-N 310.419 2.495 0 40 DEAB Cc1cccc(C(=O)N2C[C@H](CNc3ncccn3)C[C@H]2C)n1 1068291282 VJHSDRRGWUYFDB-KGLIPLIRSA-N 311.389 2.143 0 40 DEAB CCOc1ccc2nc(NCCN3CCOCC3)sc2c1 42379463 UAAYJRPUVPKLDH-UHFFFAOYSA-N 307.419 2.439 0 40 DEAB C[C@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 49580906 ZCKZRHHXMFGZOS-LBPRGKRZSA-N 316.357 2.018 0 40 DEAB COc1ccc(CCCN2CCC[C@H]2C(=O)N(C)C)cc1F 195572816 BDSJFKYCKDIHPH-HNNXBMFYSA-N 308.397 2.320 0 40 DEAB CCOC(=O)CCCCn1c(=O)cnc2cc(F)c(F)cc21 96416336 BCNYUMNBRFPWTF-UHFFFAOYSA-N 310.300 2.408 0 40 DEAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CC(=O)N3Cc2ccncc2)n1 96081325 ILKTXEXVGGOCBI-MSOLQXFVSA-N 322.412 2.160 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccncc2)cc1F 96200730 FTDCLATVXZXGSJ-IRXDYDNUSA-N 314.360 2.347 0 40 DEAB CCN(CC)C(=O)C1CCN(CC(=O)c2ccccc2)CC1 95695958 YQPRODWRSYKFTQ-UHFFFAOYSA-N 302.418 2.450 0 40 DEAB CCN(CC)CCN1C[C@@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96042452 OCFOYTANFKPUIH-KURKYZTESA-N 319.449 2.034 0 40 DEAB COc1ccc([C@H](NC(=O)OC(C)(C)C)C(=O)O)c(OC)c1 95748981 RLFDKQZQLPTHDQ-LBPRGKRZSA-N 311.334 2.354 0 40 DEAB Cn1ccc(S(=O)(=O)Nc2cc(C3C(C)(C)C3(C)C)[nH]n2)n1 333495125 ZYVVACXJLYRMAG-UHFFFAOYSA-N 323.422 2.094 0 40 DEAB C[C@@H](CNC(=O)NCc1nccn1C)Sc1ccccc1 96440537 WOIQRCCQPKYFPY-LBPRGKRZSA-N 304.419 2.400 0 40 DEAB CN(C(=O)CCc1ccco1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 96422461 WPNIMFONJNIDIT-KBPBESRZSA-N 313.419 2.026 0 40 DEAB C[C@@](Br)([C@H](O)c1ccc(F)cc1)S(C)(=O)=O 96521256 XAZVTLOFIBTYMU-ZJUUUORDSA-N 311.172 2.015 0 40 DEAB Cc1nnccc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 333507286 DOFIXLWTODUNCI-CQSZACIVSA-N 303.410 2.125 0 40 DEAB Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)NCC4CC4)CC[C@H]32)o1 96057461 ATFMYCGPMHJCLY-BRWVUGGUSA-N 318.417 2.236 0 40 DEAB CSc1cccc(F)c1C(=O)NC[C@@H]1CN(C2CC2)CCO1 252492346 MJOPCXVSCBHVOH-GFCCVEGCSA-N 324.421 2.141 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)n1 257209714 BRPLAQSYYIIKCL-CYBMUJFWSA-N 315.348 2.319 0 40 DEAB CC1(c2nccs2)CCN(S(=O)(=O)c2cccnc2)CC1 257267372 MGZWAMNXNCRFGK-UHFFFAOYSA-N 323.443 2.281 0 40 DEAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN2c2ccncn2)n1 257288877 PWBBECXYEATJFI-LBPRGKRZSA-N 307.361 2.307 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@H]2c2cncc(NC)n2)no1 257252103 JTONDBLQZXIXOX-CYBMUJFWSA-N 301.350 2.046 0 40 DEAB O=C(CCN1CCc2ccccc21)N1CC[C@@H](c2ccn[nH]2)C1 257224188 FARJRLMCUCJPOS-OAHLLOKOSA-N 310.401 2.178 0 40 DEAB COc1cccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1 298088514 GNOSKZRYWWLROY-WFASDCNBSA-N 304.390 2.006 0 40 DEAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc2c(c1)OCO2 96098523 FJHURQALQVYZMH-UHFFFAOYSA-N 314.345 2.140 0 40 DEAB COCCN1C[C@@H](COC)C2(CCN(Cc3ccoc3)CC2)C1 585104301 YLJGXTCIUMGNOP-KRWDZBQOSA-N 322.449 2.086 0 40 DEAB NC(=O)c1ccc(C(=O)OCc2ccc(OC(F)F)cc2)cn1 58265772 AMTBQQXTYCDPSS-UHFFFAOYSA-N 322.267 2.139 0 40 DEAB CNc1cc(C(=O)NC[C@@H](O)c2cccc(F)c2)cc(Cl)n1 72275273 UDHWECLXHLANKK-GFCCVEGCSA-N 323.755 2.379 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2ccn(C)c(=O)c2)C1(CC)CC 96454657 GQHSDQKQNYZXPO-UONOGXRCSA-N 306.406 2.099 0 40 DEAB Cc1noc(C)c1[C@@H](C)CC(=O)NCc1nnc(C(C)C)n1C 97114696 SWSMDHNLYZADRJ-JTQLQIEISA-N 319.409 2.353 0 40 DEAB CC[C@@](C)(NCc1c(F)cccc1Br)C(N)=O 93199727 MAIVSISGXQMKPG-GFCCVEGCSA-N 303.175 2.332 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(C)c2)CC1 14292021 KCJNATCXSXVGNS-UHFFFAOYSA-N 305.374 2.419 0 40 DEAB Cc1ccc(-n2nnnc2SCc2nnc(C)o2)c(C)c1 9498298 SCIBULKHOWSTCY-UHFFFAOYSA-N 302.363 2.263 0 40 DEAB Cn1cc(S(=O)(=O)NCc2ccc(-c3ccsc3)o2)cn1 575611514 VUOUMCPBSPRXDG-UHFFFAOYSA-N 323.399 2.220 0 40 DEAB Cc1nccc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183898 XWBDDVUCBOKERV-CYBMUJFWSA-N 324.375 2.259 0 40 DEAB C[C@@H]1CCc2c(C(=O)N[C@H]3CCCCNC3=O)csc2C1 40092224 VAYFXELHBRMLLK-MFKMUULPSA-N 306.431 2.271 0 40 DEAB CCCn1nc(C(=O)N2CCCc3ccc(F)cc32)ccc1=O 40117234 XITNLEABYWEUOB-UHFFFAOYSA-N 315.348 2.385 0 40 DEAB Cc1nccc(-c2cccc(NC(=O)c3cc[n+]([O-])cc3)c2)n1 31121743 SGLJZKSIHMKLHC-UHFFFAOYSA-N 306.325 2.338 0 40 DEAB CN(Cc1ccco1)S(=O)(=O)N1CCc2ccccc2C1 40490463 JWWQNKWMLHHKTQ-UHFFFAOYSA-N 306.387 2.015 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1F 182925 KZWSEQCATOZECU-UHFFFAOYSA-N 312.300 2.369 0 40 DEAB Cc1cc(NC[C@@H]2CCN(c3ccccc3)C2)n2ncnc2n1 29624569 DQZVUECDKZQNDY-AWEZNQCLSA-N 308.389 2.371 0 40 DEAB Cc1nnc(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)[nH]1 6588332 JLTBJNCIQYLXMR-POHAHGRESA-N 306.303 2.239 0 40 DEAB Cc1sc(C(N)=O)cc1S(=O)(=O)NC1CCCCCC1 6679962 ZSDXQLOVZSJSFM-UHFFFAOYSA-N 316.448 2.157 0 40 DEAB CCC(CC)C(=O)NCCn1nc(-c2ccco2)ccc1=O 8954622 MGUUWTLQISITMB-UHFFFAOYSA-N 303.362 2.056 0 40 DEAB Cc1ccccc1NC(=O)CCn1nnnc1-c1ccccn1 76082369 BXHINDMBKLFGJY-UHFFFAOYSA-N 308.345 2.072 0 40 DEAB CC(C)[C@@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CCS1 76085582 GFXVKXLJKFPLPM-KGLIPLIRSA-N 310.467 2.302 0 40 DEAB O=C(CCCNC(=O)C1CC1)Nc1ccc(-c2cncnc2)cc1 76017452 YGPLTRUKDAVZJC-UHFFFAOYSA-N 324.384 2.389 0 40 DEAB COc1cccc(CC(=O)NC[C@H](C)N2CCC[C@@H](C)C2)c1 46955073 OSENMDXPILMFOP-CABCVRRESA-N 304.434 2.474 0 40 DEAB CN(Cc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 103022515 TXCOOUOETOKWAE-KRWDZBQOSA-N 308.381 2.446 0 40 DEAB CN(C(=O)c1ccsc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 76501760 LGUFLCPWMJQLGD-RYUDHWBXSA-N 301.433 2.176 0 40 DEAB CN1C(=O)c2ccc(NC(=O)c3cccnc3Cl)cc2C1=O 9141973 ZMTSLVFJIQFISP-UHFFFAOYSA-N 315.716 2.213 0 40 DEAB CC(C)[C@@H]1C(=O)NCCN1C(=O)c1cnc(C(C)(C)C)s1 103950140 BHQDXLMSWKATIB-LLVKDONJSA-N 309.435 2.037 0 40 DEAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)C(=O)c1ccc(F)cc1 23045624 HQGPFXZZLBSOKA-JTQLQIEISA-N 315.300 2.353 0 40 DEAB c1cc(CN2C[C@H]3CCN(C[C@H]4CCCO4)C[C@H]3C2)ccn1 107800624 ZKXRGQZQRGZTND-FGTMMUONSA-N 301.434 2.014 0 40 DEAB NC(=O)c1cccnc1N1CCN(c2cccc(Cl)c2)CC1 12536755 LXVZCMMLTACECE-UHFFFAOYSA-N 316.792 2.161 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2cccc(C)n2)CC1 24350028 PWESEICLDJIYLL-UHFFFAOYSA-N 311.385 2.361 0 40 DEAB COc1ccc2nc(C(=O)N(C)Cc3cnn(C)c3)ccc2c1 24479134 MPKHDASXIJUFNR-UHFFFAOYSA-N 310.357 2.249 0 40 DEAB C[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 20798786 UPPUPRYAOMKZAB-QMTHXVAHSA-N 308.328 2.329 0 40 DEAB O=C(c1cccc(Cl)c1)N1CCN(CC2(O)CCCC2)CC1 78971118 CUCTYLZWPQKHEC-UHFFFAOYSA-N 322.836 2.403 0 40 DEAB COCCCN1CCC(NC(=O)CCc2ccccc2)CC1 47894040 RLWGAUJSYFSSEG-UHFFFAOYSA-N 304.434 2.236 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1 24983998 NBHFATREAQDCSZ-OKILXGFUSA-N 315.417 2.235 0 40 DEAB CNC(=O)c1cc(N2C[C@H](C)O[C@H](c3ccccc3)C2)ccn1 106853408 JCLYSEUSSNNJEC-GUYCJALGSA-N 311.385 2.408 0 40 DEAB Cc1ccc(S(=O)(=O)N(C2CC2)[C@@H](C)C(C)C)cc1C(N)=O 56055691 AIEGHVBIAZAIHK-LBPRGKRZSA-N 324.446 2.292 0 40 DEAB CCc1ccc(S(=O)(=O)NCc2nc(C3CC3)no2)s1 56120934 LMOCZEQYRNNGLQ-UHFFFAOYSA-N 313.404 2.049 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)[C@H](C)S(C)(=O)=O 44687935 HPUXEIHYYJQGCY-JQWIXIFHSA-N 313.419 2.151 0 40 DEAB Cc1ccc(OC[C@H](C)NC(=O)CCNc2ncccn2)cc1 58278493 YJGGMYALJIOMIR-AWEZNQCLSA-N 314.389 2.171 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NCc1ccc(OC(F)F)cc1 10867909 ZHRALAKKRFQIAN-UHFFFAOYSA-N 323.343 2.497 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccc2c(c1)OCO2 28415495 NQMQNRAZDDIDIQ-NSHDSACASA-N 302.330 2.439 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccn2)cc1 11026903 HMTLRLWQKRDLPM-LLVKDONJSA-N 312.325 2.468 0 40 DEAB C[C@@H](SCc1ccccc1)C(=O)NCCNc1ncccn1 48355116 LLFWDDKNJWGMKZ-CYBMUJFWSA-N 316.430 2.327 0 40 DEAB CCC[C@](CCC(=O)OC)(C(=O)OCC)c1csc(N)n1 2477881 ZAUYDTNANLYZLL-CQSZACIVSA-N 314.407 2.280 0 40 DEAB C[C@H]1CN(C(=O)[C@H]2Cc3ccc(Cl)cc3C(=O)O2)C[C@@H](C)O1 11666757 HQDDSLGKGCTLKU-ISTVAULSSA-N 323.776 2.057 0 40 DEAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cc(C)no1 8256439 UEWQSQCYGRQNFF-NSHDSACASA-N 318.329 2.484 0 40 DEAB COc1ccc([C@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 13322141 MEMQGJIJYYEKDH-LBPRGKRZSA-N 304.390 2.131 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)NCCc1ccc(F)cc1 5215797 NBBZKICORNMIBV-AWEZNQCLSA-N 310.369 2.255 0 40 DEAB CN(C)c1nc(N)nc(CN(C)[C@H]2CCCc3ccccc32)n1 14014638 RYNISDRJMPRVMD-AWEZNQCLSA-N 312.421 2.029 0 40 DEAB Cc1ccc(OCC(=O)NCCc2nnc3ccccn23)c(C)c1 14140088 CKBUJBLWQCUGLI-UHFFFAOYSA-N 324.384 2.084 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)N3CCc4ccccc43)n2)cc1 5491868 BDFCPJAISMXHAC-UHFFFAOYSA-N 319.368 2.238 0 40 DEAB CNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 14406265 NPPCBDYCZFWTFJ-AWEZNQCLSA-N 323.352 2.111 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ncn[nH]2)c1C 5737122 DWXNROMVOUQSAV-VIFPVBQESA-N 322.390 2.290 0 40 DEAB O=C(Nc1ccccn1)N[C@@H](CO)Cc1c[nH]c2ccccc12 69704303 PGMCWIAUUAAJQW-CYBMUJFWSA-N 310.357 2.288 0 40 DEAB Cc1cccc(OCC(=O)Oc2ccc(-n3cnnn3)cc2)c1C 15838940 GRSCZZGPRHWFKM-UHFFFAOYSA-N 324.340 2.264 0 40 DEAB Cc1ccc(C)c(NC(=O)CSc2nc(O)nnc2C)c1 15859731 QVZRNLWVOIWGIN-UHFFFAOYSA-N 304.375 2.233 0 40 DEAB C[C@@H](NC(=O)Cn1nnc(-c2cccs2)n1)c1cccs1 7778137 HAZKGCHNOHJLJW-SECBINFHSA-N 319.415 2.341 0 40 DEAB CCOc1ccccc1CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)CC 68404493 QEMNLXFRTVMFDZ-STQMWFEESA-N 321.421 2.188 0 40 DEAB CCOC(=O)c1ccc(CN[C@H]2CCc3nc(C)cn3C2)o1 97034404 FVGBXYIRKZGVEQ-LBPRGKRZSA-N 303.362 2.066 0 40 DEAB CC1N2CC3(c4ccccc4)CN1CC(c1ccccc1)(C2)C3O 19319933 JXCBUUQASTWSIF-UHFFFAOYSA-N 320.436 2.214 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnc(C2CC2)o1 72268679 QZFPSIWXMCVZSM-KBPBESRZSA-N 318.421 2.312 0 40 DEAB Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1nnc2ccccn12 72292050 ONVNOOOFOYXZNX-SECBINFHSA-N 314.349 2.087 0 40 DEAB c1ccc(-c2nc(N3CCN(Cc4cccnc4)CC3)no2)cc1 96011490 BEUVOBWZQXITRC-UHFFFAOYSA-N 321.384 2.454 0 40 DEAB Cc1cccc(C(C)C)c1N(CC(=O)N(C)C)CC(=O)N(C)C 84219411 JRFDSNGFCVZWKQ-UHFFFAOYSA-N 319.449 2.101 0 40 DEAB Cn1cc([C@@H]2CCCN2CC[S@@](=O)c2ccccc2)cn1 71856526 OOFIWXHGFDTRHJ-KKSFZXQISA-N 303.431 2.365 0 40 DEAB Cc1noc(C)c1C(=O)N1CCCN(c2nccs2)CC1 71830806 QFCPUCLKNDLVLZ-UHFFFAOYSA-N 306.391 2.100 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)oc1C 71824757 KZHVUEBIWKTVDV-UHFFFAOYSA-N 322.796 2.231 0 40 DEAB CCCn1c(SCC(=O)Nc2ccc(C)cc2F)n[nH]c1=O 9739912 FFYFMBGZKXUMEK-UHFFFAOYSA-N 324.381 2.160 0 40 DEAB C[C@@H]1C[C@H](c2ccsc2)CN1C(=O)C(=O)Nc1cccnc1 95401120 QTQLLZXEMKQOOJ-YPMHNXCESA-N 315.398 2.486 0 40 DEAB O=C1[C@@H]2CCCCN2C(=O)N1CCc1nc(C2CC2)cs1 95992586 KWKJIBMDEFTLJZ-LBPRGKRZSA-N 305.403 2.380 0 40 DEAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N(C)C[C@H](O)C(F)(F)F 95939396 AGWDGRZXAHTVLD-JIMOISOXSA-N 316.323 2.485 0 40 DEAB C[C@H](NC(=O)Nc1cnn(C)c1)c1cccc(-n2cccn2)c1 74939769 YEPDPAXZEPLXDL-LBPRGKRZSA-N 310.361 2.489 0 40 DEAB Cc1nc(CN(C)CC(=O)N[C@@H](C)c2ccc(C)c(C)c2)n[nH]1 75107774 SLIPRMDHWITTHZ-ZDUSSCGKSA-N 315.421 2.039 0 40 DEAB CC(C)COc1ccc([C@H](C)NC(=O)[C@@H]2CN(C)CCO2)cc1 89840304 IWCMSGGYOKLAAZ-YOEHRIQHSA-N 320.433 2.229 0 40 DEAB CNC(=O)CCNc1nc(-c2ccccn2)nc2sccc12 1559075355 IPGVDYHRPOXOAE-UHFFFAOYSA-N 313.386 2.301 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N[C@H](C)CO)cc1 185113570 WUQYTLBGOOQQMI-VNQPRFMTSA-N 311.447 2.050 0 40 DEAB Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)[C@H](C)c1cccnc1 125590531 ZPDPPCZGBKPLIC-PBHICJAKSA-N 323.396 2.193 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NCC 217707043 UHBCSLGUEUHVLF-JTQLQIEISA-N 314.407 2.284 0 40 DEAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1n[nH]c2ccccc12 43087078 UPBYNUAZKQYWHP-CYBMUJFWSA-N 308.341 2.059 0 40 DEAB Cn1cc(CCCNC(=O)[C@H]2SCCc3ccccc32)cn1 79933352 ODEXOFSKZBYINX-INIZCTEOSA-N 315.442 2.500 0 40 DEAB CCCCNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241326 MDCOSDOFUNDICP-CABCVRRESA-N 324.808 2.155 0 40 DEAB O=C(c1cc[nH]n1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72378571 ZLWAYSSADGWADF-ZDUSSCGKSA-N 322.372 2.010 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CNc1ccc(F)cc1 226390611 MEJIITADDXGLNA-YTQIUSBHSA-N 312.344 2.248 0 40 DEAB O=C(COc1ccccc1F)NCc1cnn2c1CCCC2 225609636 SAJSHYPHMMBZAS-UHFFFAOYSA-N 303.337 2.054 0 40 DEAB CN1CCN([C@@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)CC1 225146493 ORFZASXNQHBHTB-ZDUSSCGKSA-N 317.216 2.237 0 40 DEAB COCCNC(=O)c1cc(N)ccc1N(C)Cc1ccccc1 225484581 GIYVFLYUCOPLTH-UHFFFAOYSA-N 313.401 2.281 0 40 DEAB Cc1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)c(Cl)c1 41670499 CJZFHFHYXPAMKB-UHFFFAOYSA-N 320.732 2.147 0 40 DEAB CC(C)N1CCCC[C@@H]1C(=O)NCC[C@@H](O)c1ccccc1 195533744 WJRIWKRRJLTMCG-IAGOWNOFSA-N 304.434 2.489 0 40 DEAB NC(=S)Nc1ccc(Br)nc1Br 84845439 JYUVZMXPLAAKLL-UHFFFAOYSA-N 311.002 2.262 0 40 DEAB Cc1ccc(CN2CC[C@@H](NC(=O)CC(F)(F)F)C2=O)cc1 192291128 KEMNDOWHZXJIFT-GFCCVEGCSA-N 314.307 2.165 0 40 DEAB Cc1cnc(CCNC(=O)N2CCC[C@H]2[C@H]2CCCO2)s1 225458889 JVCKJXBLQKZSJG-QWHCGFSZSA-N 309.435 2.347 0 40 DEAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C)n1)C2 96056840 IDBSNSLBPVQXJO-SJLPKXTDSA-N 318.417 2.438 0 40 DEAB O=C1CC[C@]2(CCCN(c3ncccn3)C2)N1Cc1cccnc1 96071239 QUKOTKLMZYMZJJ-SFHVURJKSA-N 323.400 2.033 0 40 DEAB Cc1ccc(C(=O)N2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cn1 96089680 UUABAARCSKRMMN-AEFFLSMTSA-N 316.401 2.190 0 40 DEAB Cc1nc(CN2CC[C@]3(C[C@@H]3C(=O)NCC3CC3)C2)cs1 96075899 XJIWPDVWFNCFOY-ZBFHGGJFSA-N 305.447 2.190 0 40 DEAB Cn1cc(COC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)cn1 96452150 DEKALFPKJWDUBZ-UHFFFAOYSA-N 309.325 2.336 0 40 DEAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@@H](c2ccn[nH]2)C1 257279128 OFDFAWKMCFDXHG-CYBMUJFWSA-N 322.372 2.215 0 40 DEAB c1cncc(O[C@@H]2CN(C3CCOCC3)Cc3cccn3C2)c1 253588687 ODYUUNHPZHDVPT-SFHVURJKSA-N 313.401 2.325 0 40 DEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)O)[C@]1(C2)NC(=O)c2ccccc2O1 253595465 DUSVPCWFYUCMPD-OUUZYCIPSA-N 301.342 2.416 0 40 DEAB CCOC[C@H]1CCOC12CN(Cc1ccc3c(c1)OCO3)C2 253382811 JIPIQWJCKKBURR-CQSZACIVSA-N 305.374 2.043 0 40 DEAB CCO[C@@H](C)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 253397586 FGYLEKJJBZTFRB-UONOGXRCSA-N 305.422 2.350 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)c1cc(Cl)c2c(c1)OCCO2 45447074 VMTAJHSKZRKWEX-VHSXEESVSA-N 311.765 2.361 0 40 DEAB Cn1c(SCc2ccc(F)c(Br)c2)n[nH]c1=O 48609897 CGTNQRJZKIXBLZ-UHFFFAOYSA-N 318.171 2.302 0 40 DEAB CC(C)c1ccc([C@@H](C)NC(=O)N[C@@H]2CCCNC2=O)cc1 69700914 KHHSROZZZPGVBW-IUODEOHRSA-N 303.406 2.449 0 40 DEAB O=C(CN(CCO)c1cccc(F)c1)Nc1cccc(F)c1 79065459 VKXSNOFEWRANRD-UHFFFAOYSA-N 306.312 2.402 0 40 DEAB O=C1CN(Cc2noc(-c3ccsc3)n2)[C@H]2CCCC[C@H]2N1 98019300 RDGCDRVPNKBGMW-NEPJUHHUSA-N 318.402 2.041 0 40 DEAB CC(C)(CNC(=O)N1CCC[C@]2(CNC(=O)C2)C1)C1CCC1 570045182 VWRLEGRNFDQMKE-KRWDZBQOSA-N 307.438 2.124 0 40 DEAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC2(CC1)OCCO2 5346284 OIISHVNQWWZZFZ-UHFFFAOYSA-N 304.321 2.286 0 40 DEAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1cccc(O)c1 5755743 IQRBWLUIUHNOBG-UHFFFAOYSA-N 324.336 2.186 0 40 DEAB O=C1C=C(NCCc2ccccc2)C(=O)N1CCc1ccccc1 5888495 RGABADSGWBLGAS-UHFFFAOYSA-N 320.392 2.314 0 40 DEAB O=C(Nc1ccc2ccccc2c1)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 5949297 DAGAISYKHRRWLQ-QXSJWSMHSA-N 309.321 2.433 0 40 DEAB CS(=O)(=O)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088204 ZKRXKKPTVIKVEK-UHFFFAOYSA-N 313.382 2.323 0 40 DEAB Cc1cc(C)c2c(n1)nn1c(N3CCC[C@@H](O)C3)cc(C)nc21 12114017 NOXKQRCSJNUDGB-CYBMUJFWSA-N 311.389 2.164 0 40 DEAB Cc1nc2cc([C@H]3CCN(Cc4ccncc4)C3)nn2c(O)c1C 12222898 MWDNHJYNTYIWLX-HNNXBMFYSA-N 323.400 2.436 0 40 DEAB COc1ccc(CN2CCOC[C@@H](Cc3ncccn3)C2)cc1 607855101 LXUOUPXZZYSDEK-INIZCTEOSA-N 313.401 2.176 0 40 DEAB COc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CC=CCC2)C1 225494873 BNJLHODXHXXOHT-KGLIPLIRSA-N 317.389 2.211 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC[C@@H](Oc3cccnn3)C2)s1 225453789 JNAULBGVEVXBOO-GFCCVEGCSA-N 318.402 2.234 0 40 DEAB O[C@H](COC1CCCC1)CN1CCN(c2ccc(F)cc2)CC1 12419957 PPTJENSVBHRBEM-KRWDZBQOSA-N 322.424 2.268 0 40 DEAB O=C(NCCCn1ccnc1)c1ccnc(OC2CCCC2)c1 244975158 IEICZHHUAWQEDX-UHFFFAOYSA-N 314.389 2.420 0 40 DEAB CN1CCC(CNS(=O)(=O)Cc2ccccc2Cl)CC1 22999782 HVEPLLKJSMENJC-UHFFFAOYSA-N 316.854 2.101 0 40 DEAB O=C(c1ccncc1)N1CC[C@@H](COc2ccc(F)cn2)C1 1889130422 GOPAGHZMTMGVJG-GFCCVEGCSA-N 301.321 2.157 0 40 DEAB O=C(NC[C@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 250653470 SNRAQBYPRGFDGU-DLBZAZTESA-N 302.418 2.194 0 40 DEAB CC(=O)C1=NN(c2ccccc2)[C@@]2(N3CCOCC3)CCC[C@H]12 19690847 KMZHNGVDPYBPFI-AEFFLSMTSA-N 313.401 2.280 0 40 DEAB O=C(/C=C/c1cccs1)NCC1(N2CCOCC2)CCC1 1775973809 GIIIUDABHLDAOH-SNAWJCMRSA-N 306.431 2.132 0 40 DEAB NC(=O)c1ccccc1NC(=O)c1csc(-n2cccc2)n1 38490428 VZZCPSBWZZXGPP-UHFFFAOYSA-N 312.354 2.285 0 40 DEAB CC1(C)C(=O)N(CC(=O)NCC2CC2)c2ccc(Cl)cc21 72259568 GSVYDXJFOMJLSZ-UHFFFAOYSA-N 306.793 2.490 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 40159700 RWQYKVWVVPHNHG-DOTOQJQBSA-N 314.429 2.479 0 40 DEAB Cc1noc(C)c1CCC(=O)NCCCN1CCCCCC1=O 40460917 VPQDRAAPWJWWOV-UHFFFAOYSA-N 321.421 2.133 0 40 DEAB COc1ccc(CN(C)[C@H](C(N)=O)c2ccccc2)cc1F 40481513 JEGQBTFWGBMNSR-INIZCTEOSA-N 302.349 2.493 0 40 DEAB CC(=O)Nc1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1 40553592 MOTWNZIAKFQVBR-UHFFFAOYSA-N 318.373 2.061 0 40 DEAB Cc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1F 40526061 OKCNVNUAIPTIDE-AWEZNQCLSA-N 309.385 2.102 0 40 DEAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 21004912 NYTOYKKSGVLYNP-SFHVURJKSA-N 322.408 2.394 0 40 DEAB COC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 525389 HLAGVYZKIHTZPO-UHFFFAOYSA-N 319.342 2.445 0 40 DEAB COc1cccc(CN2CCN(Cc3nccn3C)[C@H](C)C2)c1 69511053 ZANPCGHWJDMKJR-OAHLLOKOSA-N 314.433 2.135 0 40 DEAB CCCCc1ccc(NC(=O)C(=O)NCCCN(C)C)cc1 6652829 PODLOYMPRQQECD-UHFFFAOYSA-N 305.422 2.036 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cs1 6681625 IZJASKMZTZBREH-UHFFFAOYSA-N 316.448 2.109 0 40 DEAB COc1cc(CCC(=O)NCC(F)(F)F)cc(OC)c1OC 6969041 GMJDSPUGXMSVFB-UHFFFAOYSA-N 321.295 2.324 0 40 DEAB Cc1ccc(-c2nc(CN3CCc4cncnc4C3)no2)cc1 69652078 ZWMVBCCYEWZNME-UHFFFAOYSA-N 307.357 2.393 0 40 DEAB CC(C)c1ccc(CN(C)C(=O)CN2CCCNC2=O)cc1 75815336 RTMBRDHKEYGXOD-UHFFFAOYSA-N 303.406 2.184 0 40 DEAB Cn1c(=O)c(C(=O)C[C@@H](N)c2ccco2)c(O)c2ccccc21 104827655 HLNWHVAGYJGIHI-LLVKDONJSA-N 312.325 2.110 0 40 DEAB C[S@@](=O)Cc1cccc(C(=O)NOCc2ccccc2)c1 54226455 IVMCMUACSOMGIA-NRFANRHFSA-N 303.383 2.427 0 40 DEAB CCNC(=O)CN(CC)C(=O)N[C@H]1C[C@H]1c1ccccc1Cl 69743284 ZSQIGNJKZCXKKV-JSGCOSHPSA-N 323.824 2.364 0 40 DEAB Cc1noc(C)c1CCC(=O)NCCc1cn2ccccc2n1 23320285 QUKOBUUBJCSRAT-UHFFFAOYSA-N 312.373 2.231 0 40 DEAB O=C(CCn1cncn1)NCCc1ccc(C(F)(F)F)cc1 23735570 DVGZSSYLMHFGOP-UHFFFAOYSA-N 312.295 2.046 0 40 DEAB COCCN(Cc1cccnc1)C(=O)N[C@@H](C)c1ccccn1 69727716 NXKKEKXHRDQMQD-AWEZNQCLSA-N 314.389 2.396 0 40 DEAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cnc2ccccc2n1 43056295 DGAKEXCLQPBPFL-CYBMUJFWSA-N 320.352 2.126 0 40 DEAB c1cncc(N2CCO[C@H]3CCN(Cc4ccc[nH]4)CC[C@@H]32)c1 107255197 AODWECBXTYRADR-ROUUACIJSA-N 312.417 2.280 0 40 DEAB NCCNCCCCCCCCCCCCOS(=O)(=O)O 104284322 KWDLWILMACXKTF-UHFFFAOYSA-N 324.487 2.255 0 40 DEAB Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@H]2CCC(=O)N(C)C2)c1 76087888 JSJHRDBKQPNBCH-HOCLYGCPSA-N 317.433 2.154 0 40 DEAB Cc1cn2nc(N3CCC[C@@H](c4noc(C)n4)C3)sc2n1 72279202 ANZOLNHZAMHACW-SNVBAGLBSA-N 304.379 2.175 0 40 DEAB CCCCC[C@@H]1C[C@@](C)(C(=O)CNc2nncs2)OC1=O 1898713 LLAOUEGETGJRFK-YGRLFVJLSA-N 311.407 2.421 0 40 DEAB NS(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 97159677 DHDQCPCBJBBOED-LLVKDONJSA-N 302.808 2.284 0 40 DEAB CCc1cnc(C(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)s1 97115733 SRBLQAOUUSITQI-SMDDNHRTSA-N 304.415 2.427 0 40 DEAB COC(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 44866542 NJDUEWRJFFGMHJ-UHFFFAOYSA-N 301.317 2.471 0 40 DEAB CN(C)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 58225864 JNRIGHHDFSEINT-UHFFFAOYSA-N 312.369 2.407 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCOCC1 27977155 FXLINYFTULYLAS-UHFFFAOYSA-N 313.401 2.281 0 40 DEAB O=C(NCCCCN1CCOCC1)c1csc2c1CCCC2 44952657 NKFOVDXFIUVGEL-UHFFFAOYSA-N 322.474 2.469 0 40 DEAB Cn1nccc1C1CCN(C[C@H](O)c2cccc(F)c2)CC1 58343778 BQTQENBYFQEDNV-KRWDZBQOSA-N 303.381 2.472 0 40 DEAB Cn1nccc1C1CCN(C[C@@H](O)c2cccc(F)c2)CC1 58343779 BQTQENBYFQEDNV-QGZVFWFLSA-N 303.381 2.472 0 40 DEAB N[C@@H]1CCCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 36297301 GSFCJSKQMJRSLR-MRVPVSSYSA-N 309.218 2.105 0 40 DEAB COc1cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)ccc1C 28016203 HIKJYRFCPODUMP-MRXNPFEDSA-N 320.433 2.090 0 40 DEAB CCN(C(=O)c1oc2ccccc2c1C)[C@H]1CCS(=O)(=O)C1 12783666 WPZQSMKMFWLDOF-LBPRGKRZSA-N 321.398 2.390 0 40 DEAB CS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)cc2)c1 3551565 JODBEQGXVWVYCA-UHFFFAOYSA-N 307.346 2.159 0 40 DEAB CC[C@@H]1CN(Cc2nc3ccccc3o2)CCN1CCOC 69842216 MUYYHGTVAICFNZ-CQSZACIVSA-N 303.406 2.370 0 40 DEAB COc1cccc(-c2n[nH]cc2CNCCn2cc(C)cn2)c1 69917883 CCGPJESMARCJGI-UHFFFAOYSA-N 311.389 2.380 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@H]2CCCc3ccccc32)CC1 49394673 AEKXEOUOWWGSFQ-INIZCTEOSA-N 300.402 2.221 0 40 DEAB CC(=O)Nc1cccc2c1CCN(Cc1nnc(C3CC3)o1)C2 64142995 KXQCSSRWKQPZPB-UHFFFAOYSA-N 312.373 2.464 0 40 DEAB CN(C)C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6343584 OJIYTVLGGXQHBP-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)c1cccc2c1OCCO2 65474671 CZHKISUQEQYYDE-CYBMUJFWSA-N 311.337 2.191 0 40 DEAB Cc1cccc([C@@H](CC(=O)Nc2nc(C)cs2)NC(N)=O)c1 65428035 OZVDVAVPXZVUNF-GFCCVEGCSA-N 318.402 2.498 0 40 DEAB CC[C@@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14093744 CFQAQMBYEODRQK-SECBINFHSA-N 319.430 2.321 0 40 DEAB CN(C)C(=O)CNC(=O)c1cc2c(s1)-c1ccccc1OC2 8883707 NVBGIVJCBWTGDQ-UHFFFAOYSA-N 316.382 2.126 0 40 DEAB CCOc1cc(CNC(=O)c2cccnc2N)ccc1OC 67292185 LPCKYJFIEBVEDN-UHFFFAOYSA-N 301.346 2.001 0 40 DEAB NC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7055171 JZRQMKHEKGXKHH-ZHACJKMWSA-N 302.355 2.198 0 40 DEAB c1ccc(Cc2nc(Cn3nnc(-c4ccccc4)n3)no2)cc1 68042387 WIWBEZRMCNWSDS-UHFFFAOYSA-N 318.340 2.362 0 40 DEAB COc1ccc(C(=O)CCC(=O)Nc2cc(C)n[nH]2)cc1F 81750942 AYNNMQOFSFIWTM-UHFFFAOYSA-N 305.309 2.467 0 40 DEAB O=C(NCCc1ccccc1)N1CCCC[C@H]1C1OCCO1 69222010 OLBHXMRKEZLOIL-HNNXBMFYSA-N 304.390 2.166 0 40 DEAB C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)N(C)Cc1ccco1 8225912 IVZQYLGGHXFFAX-NSHDSACASA-N 302.330 2.467 0 40 DEAB Cc1ccc2nc(C)c(C(=O)NCc3cc[nH]c(=O)c3)cc2c1 69349073 TZGRXBYOWFELFU-UHFFFAOYSA-N 307.353 2.470 0 40 DEAB CC(C)COc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1 8327510 RMCVAXVSFTYORI-UHFFFAOYSA-N 304.390 2.059 0 40 DEAB O=C(C[C@@H]1CCc2ccccc2C1)NCCNc1ncccn1 71899400 YUSCVFHTWBORIP-CQSZACIVSA-N 310.401 2.200 0 40 DEAB Cc1cc(C)n(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)n1 71804282 PEDMBEZCPZNODQ-GJZGRUSLSA-N 323.462 2.013 0 40 DEAB CCc1sc(C(=O)NC2(c3ncon3)CCOCC2)cc1C 97373318 MKZAKYKZYSXQGM-UHFFFAOYSA-N 321.402 2.438 0 40 DEAB O=C(c1cn(Cc2cccnc2)nn1)N1CC[C@H]2CCCC[C@@H]21 84425119 URKROUKYNUDVFL-ZBFHGGJFSA-N 311.389 2.126 0 40 DEAB COCCCC(=O)N(CCC(=O)O)Cc1ccc(F)c(F)c1 95424681 OUVOBZRLWPROCR-UHFFFAOYSA-N 315.316 2.195 0 40 DEAB CCc1n[nH]c([C@H]2CN(Cc3cc(C)ccc3OC)CCO2)n1 95402419 SDBNUMVCCHXDGR-OAHLLOKOSA-N 316.405 2.258 0 40 DEAB CNc1snc(C)c1C(=O)Nc1cnn(C[C@H]2CCCO2)c1 79657187 MVZQGSUARYQMNB-LLVKDONJSA-N 321.406 2.121 0 40 DEAB Cc1ccc(OCCC(=O)N[C@H]2CCCC[C@H]2C(N)=O)cc1C 75094434 MIKRSPYYIRYPQE-CVEARBPZSA-N 318.417 2.233 0 40 DEAB CS(=O)(=O)CCCC(=O)Nc1cc(-c2ccccc2)on1 75093000 RGZDWFGJNFREMS-UHFFFAOYSA-N 308.359 2.105 0 40 DEAB CCO[C@@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 75123614 VJMVDAFLABYYLA-MRXNPFEDSA-N 314.385 2.386 0 40 DEAB C[C@@H](OCC1CC1)C(=O)N(C[C@@H]1CCCO1)c1ccncc1 75138507 FIVBXUTVXOLLHN-CJNGLKHVSA-N 304.390 2.409 0 40 DEAB C[C@@H]1CCCN(CCCNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)C1 89929796 JDWGEVKLRGRJMV-QBPKDAKJSA-N 323.481 2.365 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 89920440 JIOBOROKWJSHDQ-ZBFHGGJFSA-N 322.412 2.448 0 40 DEAB COc1ccc(Cl)c(N2CCN(C[C@H]3C[C@@H]3C(=O)O)CC2)c1 1550704474 PTYDVMOQSWWALO-YPMHNXCESA-N 324.808 2.191 0 40 DEAB CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)o2)cc1 33776633 JEIMYRFSDAQNLJ-UHFFFAOYSA-N 321.358 2.286 0 40 DEAB O=C(Nc1nnc(SCCN2CCCCC2)s1)C1CC1 35316081 UEVFHAHWHOZAPO-UHFFFAOYSA-N 312.464 2.465 0 40 DEAB CCOC(=O)CC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 39957221 KMMPYVHTFLJPGW-AWEZNQCLSA-N 319.357 2.310 0 40 DEAB Cc1cc(Br)cc(C(=O)N[C@H](C)Cn2cncn2)c1 125352084 HDXGXTONMVFNNK-SNVBAGLBSA-N 323.194 2.168 0 40 DEAB CCCCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 36661217 XMOFQZSMKVHPOS-DYVFJYSZSA-N 323.437 2.184 0 40 DEAB CCOC(=O)c1c(O)c(=O)[nH]c2ccc(Br)cc12 210547183 RBHBGJCZTPYANY-UHFFFAOYSA-N 312.119 2.173 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@@](C)(O)[C@@H](C)CC)cc1 77844504 XQKZMIOHQDBTSP-YVEFUNNKSA-N 306.406 2.101 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H](CNC(=O)OC(C)(C)C)C2)cn1 79335738 NDVCSRSPBRODPL-CYBMUJFWSA-N 319.405 2.377 0 40 DEAB C[C@@]1(C(=O)Nc2cccnc2)Oc2ccc(Cl)cc2NC1=O 41548377 VMMOJGWDKPZAPJ-HNNXBMFYSA-N 317.732 2.463 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 41777698 BPURMPIVEOTWKH-UHFFFAOYSA-N 324.446 2.262 0 40 DEAB Fc1ccc(C2(NCc3nnnn3C3CC3)CCC2)c(F)c1 329353917 FFIFEELKFPBOJK-UHFFFAOYSA-N 305.332 2.455 0 40 DEAB COC(=O)c1ccc(F)c(CNC(=O)c2cnn(C(C)C)c2)c1 225546678 UXTWEAKUUIFRBY-UHFFFAOYSA-N 319.336 2.320 0 40 DEAB C[C@H]1C[C@@H](N(C)CCS(C)(=O)=O)CCN1Cc1ccccc1 96414947 LAUZNIWSDPQBLC-RDJZCZTQSA-N 324.490 2.016 0 40 DEAB Cc1nccc([C@@H]2C[C@@H]3CCN(C(=O)c4cccnc4)C[C@H]3O2)n1 96046361 MNNAEDCPDXWQPL-RRQGHBQHSA-N 324.384 2.172 0 40 DEAB O=C(NC1(c2ncon2)CCOCC1)[C@H]1C[C@@H]1C1CCCCC1 97378215 ZMGKSHSGTJUVCY-KGLIPLIRSA-N 319.405 2.408 0 40 DEAB Cn1nc(-c2ccccc2)cc1C(=O)Nc1nc(C2CC2)n[nH]1 95476323 SKFVYPXJOMYSHN-UHFFFAOYSA-N 308.345 2.335 0 40 DEAB Cn1cc(CN2CC[C@@]3(CC(=O)N(c4ccccc4)C3)C2)cn1 96238420 JRGXSOCJBOYWJX-GOSISDBHSA-N 310.401 2.049 0 40 DEAB C[C@@]1(C(=O)NC[C@@H]2CCCO2)CC(c2cccc(F)c2)=NO1 96192991 HAMBBCFZSJBGCH-BBRMVZONSA-N 306.337 2.004 0 40 DEAB Cc1cccc(N2C[C@]3(CCN(c4nncs4)C3)CC2=O)c1 96238500 MIGNEIPWONGHDV-MRXNPFEDSA-N 314.414 2.480 0 40 DEAB Cc1cnc(N2C[C@H]3CN(C(=O)c4ccsc4)C[C@H]3C2)nc1 96161783 FCQPJOKNQXFDNM-OKILXGFUSA-N 314.414 2.055 0 40 DEAB COCc1cncc2c1CCN(C(=O)Cc1cccc(F)c1)C2 96189280 WHVPDNGLAFJSBO-UHFFFAOYSA-N 314.360 2.495 0 40 DEAB Cc1ccc(Cl)c(OC[C@H](O)CN2CCOCC[C@@H]2C)c1 97373712 BZIMWUQQHRLHMU-UONOGXRCSA-N 313.825 2.499 0 40 DEAB CN1C(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccccc2)Oc2ccccc21 96111712 IOEPYPIAQUVELS-HOCLYGCPSA-N 322.364 2.325 0 40 DEAB biogenic,in-vitro O=C(O)[C@@H](c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 95869848 ZBXQZKWSMNNPGW-MRXNPFEDSA-N 315.348 2.169 0 40 DEAB C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)CC1(Cl)Cl 96486067 UJAMNHLMZCYHBY-GMXVVIOVSA-N 300.185 2.345 0 40 DEAB Cc1nc[nH]c1CN1CC[C@](C)(O)[C@@H](Oc2cccc(F)c2)C1 257240044 HRUUAAYNPKVRIL-IRXDYDNUSA-N 319.380 2.262 0 40 DEAB CN(C)C(=O)CN1CCOC[C@@H](Cc2cccc3occc23)C1 257229068 FWOYQZSWLPYLMP-AWEZNQCLSA-N 316.401 2.012 0 40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@@H](c4cnccn4)C3)cn2c1 257313850 UUJOAPVZNYJHNP-CQSZACIVSA-N 321.384 2.453 0 40 DEAB Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc(C(=O)O)cc2)n1 262431989 MMYVHCDDEIFZTG-ZDUSSCGKSA-N 315.373 2.466 0 40 DEAB CO[C@@]1(COc2ccc(C)cc2)CCN(Cc2cncnc2)C1 585273114 ARDFZRSWANJMPT-SFHVURJKSA-N 313.401 2.455 0 40 DEAB CS(=O)(=O)NCC1(c2ccc(Br)cc2)CCC1 48841235 GQOVVZTYKQBRIF-UHFFFAOYSA-N 318.236 2.420 0 40 DEAB CN1CCOc2ccc(NS(=O)(=O)Cc3ccccc3)cc21 62571725 REMCVFLYYPBHFZ-UHFFFAOYSA-N 318.398 2.457 0 40 DEAB CC(C)C(=O)NCCc1cc2nc(-c3ccncc3)ccn2n1 72340733 CHEKVCLYHGYAPJ-UHFFFAOYSA-N 309.373 2.106 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1ccc(Br)s1 89938609 JSPZONMAXWPSTG-MRVPVSSYSA-N 303.225 2.287 0 40 DEAB Fc1ccc(-c2nnc(CN3CCCC4(C3)OCCO4)o2)cc1 90561568 IQCXQZLKXAYERS-UHFFFAOYSA-N 319.336 2.215 0 40 DEAB CN1C[C@@H](C(=O)N2CCCCC2)[C@@H]2COc3ccccc3[C@@H]21 1772595837 NKNQODWMDVXTJU-VYDXJSESSA-N 300.402 2.310 0 40 DEAB Cc1ccc(N[C@@H]2SC(=O)N(CCC(=O)O)C2=O)c(C)c1 16740560 QLKUWBFIBXAOGZ-GFCCVEGCSA-N 308.359 2.212 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 19936840 FVYKVYFUAWNGRN-JTQLQIEISA-N 312.391 2.081 0 40 DEAB CN1CCC(CNS(=O)(=O)Cc2cccc(Cl)c2)CC1 22999783 BQIHMYOPOQIXIE-UHFFFAOYSA-N 316.854 2.101 0 40 DEAB Cc1cc(N2CCC(CNC(=O)c3cc(C)on3)CC2)ccn1 253401191 MPAVOZVHWRZJOP-UHFFFAOYSA-N 314.389 2.333 0 40 DEAB COc1cccc(CNCC(=O)Nc2ccc3c(c2)OCO3)c1 35311492 GXGWRBCZUBSQNW-UHFFFAOYSA-N 314.341 2.152 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1 9446260 MCGQFUVPHULNLA-VMPITWQZSA-N 303.343 2.285 0 40 DEAB CC[C@@H]1c2ccsc2CCN1CCN1C(=O)NC(C)(C)C1=O 30224519 BNQKHNBRGJDOLS-GFCCVEGCSA-N 321.446 2.388 0 40 DEAB CCN(CC)C(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC 7457511 RHERHEZZYSFBGM-UHFFFAOYSA-N 315.373 2.032 0 40 DEAB C[C@@H](NC(=O)CC1CCCC1)c1cccc(S(N)(=O)=O)c1 40215718 VFJRFHVQMQATSA-LLVKDONJSA-N 310.419 2.092 0 40 DEAB Cc1ccc(NC(=O)CSc2nc(=O)[nH]nc2C)cc1Cl 31773527 GYLSTUHTKRNJIW-UHFFFAOYSA-N 324.793 2.166 0 40 DEAB COc1cccc2c([C@H](C(=O)O)N3CCSCC3)c[nH]c12 20738942 RBWCHFJUULLNRV-CQSZACIVSA-N 306.387 2.351 0 40 DEAB COC(=O)c1cnc(NC(=O)C2=Cc3ccccc3OC2)s1 32843458 ZKOOCNDXIVWDFO-UHFFFAOYSA-N 316.338 2.344 0 40 DEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1cccs1 3907142 NQVSTLDLHCPDDG-GFCCVEGCSA-N 319.390 2.367 0 40 DEAB Cc1nc(CC(=O)Nc2nnc([C@@H]3CCCO3)s2)cs1 6767565 RYMJXLRJUPPQHC-VIFPVBQESA-N 310.404 2.336 0 40 DEAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccn1)[C@H]2C(=O)O 102360029 NFGDPQAKJHWENP-UGQVUOCMSA-N 314.385 2.391 0 40 DEAB CNC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 53274775 MXIVMJZZDHBJSW-UHFFFAOYSA-N 304.419 2.271 0 40 DEAB O=c1nc(CN2CCCC[C@H]2Cn2cccn2)[nH]c2ccccc12 70021705 BDYNQTPLEHJNSU-AWEZNQCLSA-N 323.400 2.174 0 40 DEAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1 61650278 SMTVLYDKWJXNJW-ROUUACIJSA-N 310.397 2.433 0 40 DEAB CC(C)N1C(=O)[C@](O)([C@@H]2COC(C)(C)CC2=O)c2ccccc21 970740 PHAVBHADAXXCAF-FZKQIMNGSA-N 317.385 2.013 0 40 DEAB O=C(O)CN(C1CC1)S(=O)(=O)c1cc(Cl)ccc1Cl 37592505 VKKCJTXRZLXWNH-UHFFFAOYSA-N 324.185 2.231 0 40 DEAB CN(C)C(=O)CN(C)C(=O)c1cc(C2CC2)nc2ccccc12 23912113 YBTJFWSOTYSMMN-UHFFFAOYSA-N 311.385 2.272 0 40 DEAB Cc1sc(=O)n(CCC(=O)Nc2c(O)cccc2F)c1C 76083474 SGSSJIFFCHHFTJ-UHFFFAOYSA-N 310.350 2.400 0 40 DEAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2cccc(C)n2)c1 76041634 PTWSMWMJAJOZLK-UHFFFAOYSA-N 319.386 2.322 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 76377741 XWDVTSXVWFBNJA-GHMZBOCLSA-N 301.433 2.142 0 40 DEAB CCOCC(=O)OCC(=O)c1ccc(Br)cc1 3240576 XAYVDDKLLDGCHP-UHFFFAOYSA-N 301.136 2.212 0 40 DEAB CN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1Cl 26900949 HKSKAPGUIISTBT-UHFFFAOYSA-N 309.797 2.102 0 40 DEAB O=c1cc(CN2CCC(Oc3ccccc3)CC2)[nH]c2ccnn12 108856755 USFJHGCDMVTQBW-UHFFFAOYSA-N 324.384 2.066 0 40 DEAB CC(C)Cc1noc(CCCNS(=O)(=O)c2ccccc2)n1 57986432 VULUERZAFRHSSK-UHFFFAOYSA-N 323.418 2.179 0 40 DEAB Cc1nc(CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)oc1C 58246262 INOYRMXHXIEODN-INIZCTEOSA-N 317.320 2.398 0 40 DEAB CC(C)CN1C[C@H](C(=O)Nc2nc3c(s2)CCC3)CC1=O 29860409 HESQOWIELQSLQM-SNVBAGLBSA-N 307.419 2.075 0 40 DEAB O=C(NCCc1ccsc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 44912113 IVNUVMSRVZLIAS-CYBMUJFWSA-N 318.398 2.049 0 40 DEAB O=c1n(CCN2CCC[C@H]2c2ccsc2)nc2ccccn12 48300561 XPEZUXULSMKVJV-AWEZNQCLSA-N 314.414 2.395 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)c2ccsc2)CC1 69744971 XXIJUZWGWYZUSF-UHFFFAOYSA-N 302.403 2.279 0 40 DEAB Cc1[nH]c2ccc(CNC(=O)CN(C)c3cnccn3)cc2c1C 65109795 FCCZYVMNYNOSCY-UHFFFAOYSA-N 323.400 2.327 0 40 DEAB S=C(NNC(=S)Nc1nccs1)Nc1ccccc1 28294791 VALPEIKRGHOFAX-UHFFFAOYSA-N 309.445 2.331 0 40 DEAB COc1ccccc1[C@@H](C)N1CCN(CCn2cccn2)CC1 69875460 QHOZTWQEIXMPQE-MRXNPFEDSA-N 314.433 2.271 0 40 DEAB C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)no1)[C@@H](C)n1cccn1 69816119 RHIXNAFZZSHQRO-VXGBXAGGSA-N 319.409 2.346 0 40 DEAB Cc1ccn2ncc(C(=O)N3CCC[C@H](n4ccnc4C)C3)c2n1 69849145 YTIFWIVKCARQKJ-AWEZNQCLSA-N 324.388 2.020 0 40 DEAB Cc1csc(NC(=O)c2cnc3sc(C)cn3c2=O)n1 4517327 LPMSYFMGADNJGE-UHFFFAOYSA-N 306.372 2.082 0 40 DEAB CN(CCOc1ccccc1F)c1ncnc2c1cnn2C 14273979 DFQFIEKYGZHBTF-UHFFFAOYSA-N 301.325 2.018 0 40 DEAB CCCOc1nc2ccccc2nc1N1CCC(C(N)=O)CC1 5489389 DVIQXSLTILJBJE-UHFFFAOYSA-N 314.389 2.120 0 40 DEAB c1cnc(N2Cc3cccn3C[C@@H](OCc3cccnc3)C2)nc1 306128985 HQOVNVOOCXCDRX-QGZVFWFLSA-N 321.384 2.279 0 40 DEAB O=C(CCc1ccc(F)cc1)N1CCC(c2nc[nH]n2)CC1 82979111 PVZYRPNKRAJZTM-UHFFFAOYSA-N 302.353 2.283 0 40 DEAB C[C@H]1CN(C2=CC(=[N+]3CCOCC3)CC(C)(C)C2)C[C@H](C)O1 15953091 FOHQMBFMAQGJHL-GJZGRUSLSA-N 307.458 2.283 0 40 DEAB CC1CCN(CCCNS(=O)(=O)c2ccccc2F)CC1 7728762 NYEKPPBSJXAPAB-UHFFFAOYSA-N 314.426 2.226 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(F)c(F)c1 7747849 FCBXQURXTQQBJN-ZDUSSCGKSA-N 310.300 2.498 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CCC2)cc1 7706271 GXPNAOVDICWBPF-UHFFFAOYSA-N 324.446 2.133 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 68799096 PVOIJUPQTDTWEE-XHSDSOJGSA-N 321.417 2.463 0 40 DEAB O=S(=O)(NCCc1ccccn1)c1ccc(Cl)cc1F 9376375 OJKPGMXSZNIGFB-UHFFFAOYSA-N 314.769 2.395 0 40 DEAB CC(=O)N1CCN(CCC(=O)c2ccc(F)cc2)C(C)(C)C1 97046064 MSMWRMQLQSQUIQ-UHFFFAOYSA-N 306.381 2.341 0 40 DEAB COC(=O)Cn1ccc(NC(=O)c2cc(C)cc(Cl)c2)n1 97016212 IIQANICZLAMJNX-UHFFFAOYSA-N 307.737 2.270 0 40 DEAB O=C(NCc1nncn1C1CC1)c1ccc(OCC2CC2)cc1 71882360 MSHARZCYPXPVBJ-UHFFFAOYSA-N 312.373 2.332 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2csnn2)n1 71865519 SEPBICMUHUCVNK-LBPRGKRZSA-N 305.407 2.046 0 40 DEAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2ncc(C)s2)o1 72241086 SLGSBFIWQUYPFW-LBPRGKRZSA-N 319.386 2.483 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)[nH]n1 72234494 GGFMNPNLCVUUKA-GJZGRUSLSA-N 314.389 2.369 0 40 DEAB Cc1cccc(CNC(=O)CN[C@H](C)c2nnc3ccccn23)c1 97111403 YJRJCSOYCVWOKZ-CQSZACIVSA-N 323.400 2.005 0 40 DEAB CC(C)Cc1ncc(CNC(=O)N2CCC[C@@]2(C)CO)s1 97103129 JBLIUEXZXHLNPE-HNNXBMFYSA-N 311.451 2.398 0 40 DEAB O=C(CCN1C(=O)CCC1=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 84544033 IAMWSLLKQZXWIZ-BFHYXJOUSA-N 306.406 2.001 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc[nH]c3=O)cc2)n1 95393921 DBDANGGVVBUELI-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 84687096 YJETVVXCYLVIFI-QWRGUYRKSA-N 310.419 2.358 0 40 DEAB CS[C@@H]1CC[C@@H](NC(=O)NCc2cccc(N(C)C)n2)C1 95437606 CRDMICHCRUKLGA-DGCLKSJQSA-N 308.451 2.231 0 40 DEAB COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)c2cscc2C)C1 95407884 YPVXLRKDFDBBGY-CHWSQXEVSA-N 324.446 2.060 0 40 DEAB CCOCCC1(CNC(=O)c2ccc3c(c2)nnn3C)CCC1 95421469 PFXISPWOCOYBQI-UHFFFAOYSA-N 316.405 2.295 0 40 DEAB CN(C(=O)Nc1ccccn1)[C@H]1CCN(c2ccccc2)C1=O 79358724 PXGSWZNUTDKVKN-AWEZNQCLSA-N 310.357 2.351 0 40 DEAB COc1ccc2nc(C)nc(NC[C@H](O)c3ccccn3)c2c1 95941748 APZGBKSUPYARKE-INIZCTEOSA-N 310.357 2.487 0 40 DEAB CC(C)(C)CS(=O)(=O)NC(=O)c1cccc2ncccc12 95987686 RHZWQLNTNJLNOO-UHFFFAOYSA-N 306.387 2.341 0 40 DEAB CCc1cc(NC(=O)NCCOc2ncccc2Cl)n(C)n1 89282803 DJWGHJNBHAAONT-UHFFFAOYSA-N 323.784 2.231 0 40 DEAB CCn1c(SCC2CCOCC2)nnc1-c1cnccn1 89302526 MIMZUJDJWCMBPL-UHFFFAOYSA-N 305.407 2.274 0 40 DEAB CN(C(=O)Nc1cccs1)[C@H]1CCC[C@H]1S(C)(=O)=O 75109265 YDXNNPZVZLIUOT-VHSXEESVSA-N 302.421 2.178 0 40 DEAB Cn1nc(CC(C)(C)C)cc1NC(=O)CNC(=O)C(C)(C)C 75134467 UVMYELRRUZBARV-UHFFFAOYSA-N 308.426 2.110 0 40 DEAB CN1CCC[C@@H](CNC(=O)N2CCOCC2)[C@@H]1c1cccs1 75490005 TVEFHTKJKWRLKO-DZGCQCFKSA-N 323.462 2.173 0 40 DEAB O=C(O)CCc1ccc(S(=O)(=O)Nc2ccccc2O)cc1 75568048 FKONVCFNHGSJHT-UHFFFAOYSA-N 321.354 2.210 0 40 DEAB CN(Cc1ccccc1F)C(=O)c1cc(O)nc(C2CC2)n1 553350449 QMZZILSFCFSPGN-UHFFFAOYSA-N 301.321 2.471 0 40 DEAB CN1CCN(C(=O)c2cscc2-c2ccccc2)CC1=O 521699276 PDHBVZDTJSHXHO-UHFFFAOYSA-N 300.383 2.329 0 40 DEAB O=C(NCCCN1CCO[C@@H](c2ccccc2)C1)c1ccco1 36699965 JOWNKVWXNDVHEE-QGZVFWFLSA-N 314.385 2.473 0 40 DEAB O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1ccc(O)cc1 524735413 AZCHLDYANCKLSB-CYBMUJFWSA-N 315.358 2.058 0 40 DEAB Cc1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1 31773286 PRNIEGHLTHHBAJ-RYUDHWBXSA-N 313.469 2.497 0 40 DEAB O=C(NC[C@H](O)COCC1CC1)N[C@@H]1CCC[C@H](C2CC2)C1 74651942 DUNXXUXEIDYXTI-XHSDSOJGSA-N 310.438 2.042 0 40 DEAB CN(CC(=O)N1CCCCCC1)[C@@H](CCO)c1ccccc1 75899620 KXAUVMFFASLFFR-KRWDZBQOSA-N 304.434 2.445 0 40 DEAB COc1ccccc1CNC(=O)C(=O)Nc1cccc2[nH]ccc12 32105384 QMJYHNJPJGAKAX-UHFFFAOYSA-N 323.352 2.431 0 40 DEAB Cc1nc(COc2ccccc2C(C)C)[nH]c(=O)c1CC(=O)O 217393030 JKWAPFHVKSPKQK-UHFFFAOYSA-N 316.357 2.408 0 40 DEAB C[C@H](N)C(=O)N1CCCC[C@H]1CN(Cc1ccccc1)C1CC1 79415660 HDTPZJJEXQPPBQ-YJBOKZPZSA-N 315.461 2.379 0 40 DEAB CCC[C@H]1[C@@H](C)CCCN1Cc1nc(CS(C)(=O)=O)no1 72776070 SMGKXHPAWNWVJC-RYUDHWBXSA-N 315.439 2.015 0 40 DEAB O=C(Nc1cnns1)[C@@H]1CCCN(C(=O)c2ccccc2)C1 188697686 FASQPXLHTXBOPI-GFCCVEGCSA-N 316.386 2.029 0 40 DEAB C[C@H]1C[C@H]1NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 78405579 PEHVYWUFYDLGIJ-BHYGNILZSA-N 301.434 2.259 0 40 DEAB CN1CCCC[C@]1(C)C(=O)N1CCC(Cc2ccnn2C)CC1 72367368 QQCJEUDTUHARMF-GOSISDBHSA-N 318.465 2.076 0 40 DEAB Cc1nnc(-c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2)o1 71287352 IVUBPMLADDIWHH-NEPJUHHUSA-N 315.329 2.340 0 40 DEAB O=C(COC1CCCC1)N1CCC[C@H]1c1nnc2ccccn12 44372228 UKUWHIPVGIPWMN-AWEZNQCLSA-N 314.389 2.352 0 40 DEAB CCn1ccc(NC(=O)COc2ccn(-c3ccccc3)n2)n1 226853193 QEUNHEZZTGJRKY-UHFFFAOYSA-N 311.345 2.106 0 40 DEAB CCCCS(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)O2 46088505 GJXUDHUAFNOXBL-UHFFFAOYSA-N 312.391 2.338 0 40 DEAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(C)CC1 224852988 RLKZVZUNGDUGBD-CQSZACIVSA-N 302.418 2.107 0 40 DEAB C[Sn](C)(C)c1ccnc(Br)c1 199752326 XXKTZXMVLJIZAT-UHFFFAOYSA-N 320.806 2.389 0 40 DEAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccccn3)O2)n1 96057357 YYJFOJXHMLBHEB-KFWWJZLASA-N 300.362 2.268 0 40 DEAB Cn1ccc(CNC(=O)N2CCO[C@H](Cc3ccccc3)C2)c1 96494017 YFHULKQRTIZGIN-QGZVFWFLSA-N 313.401 2.178 0 40 DEAB COC[C@@H](NCc1cc(=O)n2ccsc2n1)c1ccc(C)o1 97373869 RJDIIUGAFZNHBK-GFCCVEGCSA-N 319.386 2.135 0 40 DEAB Cc1ccc(CNC(=O)CC2CN(C(=O)OC(C)(C)C)C2)n1C 96444573 OKEYNRLKDDBNRK-UHFFFAOYSA-N 321.421 2.207 0 40 DEAB Cn1c(Cc2cccs2)nnc1SC[C@@H](O)C(F)(F)F 97377980 AYKILCGWCUPOQA-MRVPVSSYSA-N 323.365 2.483 0 40 DEAB COC[C@]12COC[C@H]1CN(C(=O)CCc1ccccc1C)C2 96108636 XAOVVNAQFDREEF-SJLPKXTDSA-N 303.402 2.049 0 40 DEAB COc1ccc(CN2CCN(CC(F)F)CC2)c(OC)c1 92586399 FBEJGBRMHHPYDJ-UHFFFAOYSA-N 300.349 2.087 0 40 DEAB COc1cccc2cc(C(=O)N3CCC(C(=O)O)CC3)oc12 237351080 MTXARCVLEJKUEF-UHFFFAOYSA-N 303.314 2.378 0 40 DEAB O=C(OCc1nnc(C2CC2)n1C1CC1)c1ccn2cncc2c1 96501666 HZFNUBXICVOLLY-UHFFFAOYSA-N 323.356 2.495 0 40 DEAB O=c1cc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)occ1O 96424428 YWGNWDXHWHKYQX-MRXNPFEDSA-N 319.332 2.183 0 40 DEAB CC(C)OCCS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)C1 96461868 AJBZCYBCTIDTTO-AWEZNQCLSA-N 315.410 2.370 0 40 DEAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccccc3)C[C@H]12)C1CC1 96185466 JYPANWBJBCZHQH-OKZBNKHCSA-N 314.429 2.050 0 40 DEAB CN1CC[C@@H](NC(=O)C2(O)CCCC2)[C@H]1c1ccc(F)c(F)c1 245281193 ACYVAEANKNRKDH-HUUCEWRRSA-N 324.371 2.131 0 40 DEAB c1cnc(Oc2ccc(CN3C[C@@H]4CCCN[C@@H]4C3)cc2)cn1 537635028 OSSPBWTXUOHFMN-DOTOQJQBSA-N 310.401 2.453 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)n1 257285920 PJLDMNKCUYQKBO-AWEZNQCLSA-N 311.389 2.373 0 40 DEAB CCOC1(C(=O)NCc2ccc(-n3cncn3)cc2)CCCC1 252509247 YHXMHTSIDUFAFJ-UHFFFAOYSA-N 314.389 2.233 0 40 DEAB NC[C@@H]1[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514078 BCMYXZPPJCITDG-OAGGEKHMSA-N 305.374 2.340 0 40 DEAB Cc1nccc([C@H]2CCCN(Cc3cnc(N(C)C)nc3)C2)n1 257331324 XSJQOEZJAWYBNL-HNNXBMFYSA-N 312.421 2.021 0 40 DEAB CCOCC[C@H]1CCOC2(C1)CN(C(=O)c1cscn1)C2 253386092 VOOVFKWAPQBSNS-LBPRGKRZSA-N 310.419 2.191 0 40 DEAB COc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc(C)c[nH]2)cc1 257282226 OSYNWOHJTIWSRR-CQSZACIVSA-N 321.402 2.253 0 40 DEAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 32307940 SFUKWHFBFAHZHA-XJKSGUPXSA-N 300.402 2.372 0 40 DEAB COC[C@H]1CCn2nccc2CN1C(=O)Cc1ccc(C)cc1 585098364 WTSYHABYNSXMMH-QGZVFWFLSA-N 313.401 2.182 0 40 DEAB Cc1ocnc1C(=O)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585278397 DFKFCPHIYGSMFJ-CABCVRRESA-N 300.358 2.049 0 40 DEAB COC(=O)[C@H]1CCCCN1Cc1csc(N(C)C2CC2)n1 89365641 FREZWGMWGFKESU-CYBMUJFWSA-N 309.435 2.269 0 40 DEAB CO[C@]1(CNC(=O)COc2ccc(Cl)cc2)CCSC1 96097599 SHORVTFVHJYPQY-AWEZNQCLSA-N 315.822 2.357 0 40 DEAB CC(C)[C@H](NC(=O)N1CCc2c([nH]c3ccccc23)C1)C(=O)O 12902095 FRTSVJZWGTVNAW-HNNXBMFYSA-N 315.373 2.345 0 40 DEAB biogenic CCNC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN1 19696497 QNBVALBRHPLGSO-GOSISDBHSA-N 313.401 2.451 0 40 DEAB COc1ccc(C)c2sc(NCCN3CCOCC3)nc12 26424180 ABHSWXZLZRKQQJ-UHFFFAOYSA-N 307.419 2.357 0 40 DEAB CCOc1ccc(CC(=O)NC2CN(c3ccccn3)C2)cc1 1888863786 QSCSYUKJIWJTEJ-UHFFFAOYSA-N 311.385 2.028 0 40 DEAB Cc1cccc(OCC(=O)N2CC(Cn3cc(Cl)cn3)C2)c1 1848812890 VIUJSMHYNRKWFZ-UHFFFAOYSA-N 319.792 2.382 0 40 DEAB CN(Cc1ccccc1Br)C(=O)[C@H]1CSCN1 37798045 SGOFCBVISWRDHQ-LLVKDONJSA-N 315.236 2.070 0 40 DEAB CCO[C@H]1CN(C(=O)c2cccc(Cl)n2)[C@@H]2CCCO[C@H]12 2055759442 ZZDPJNBFMMCHBI-DYEKYZERSA-N 310.781 2.144 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@]1(O)CCOc2ccccc21 75158087 PKLNPVALYNHXAK-GOSISDBHSA-N 315.344 2.155 0 40 DEAB CCn1cc(NC(=O)NC[C@@H](C)N2CCc3ccccc32)cn1 40103977 REDBIIQGPJHHAW-CYBMUJFWSA-N 313.405 2.476 0 40 DEAB CCCCN(C)S(=O)(=O)N1CCCc2cc(OC)ccc21 40105085 CDGPGDZSNCPCSQ-UHFFFAOYSA-N 312.435 2.425 0 40 DEAB CC1(C)Cc2c(sc3nc(CN4CCCC4)[nH]c(=O)c23)CO1 40286924 KZYJZESHRBHMPF-UHFFFAOYSA-N 319.430 2.432 0 40 DEAB CN(Cc1ccco1)C(=O)NC[C@H]1COc2ccccc2O1 40476375 BUEROJAOKKWWKE-ZDUSSCGKSA-N 302.330 2.261 0 40 DEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@H]2CCCO2)c1 32667944 IADLWFWMGSADLM-SECBINFHSA-N 318.778 2.079 0 40 DEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1 3591087 NVKIKRTUMKOSTL-UHFFFAOYSA-N 304.321 2.263 0 40 DEAB Cc1[nH]ncc1C(=O)Nc1ccc(N2CCOC[C@H]2C)cc1 76083852 IMFSHVYKUBTBBX-LLVKDONJSA-N 300.362 2.196 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccccc1OC[C@H]1CCCO1 21843263 SPLPVCRSFBQGBO-WGKGOADCSA-N 318.398 2.386 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)C[C@@H](C)n1cccc1)C2 69741999 LUFNLXUOAMIAKF-CYBMUJFWSA-N 301.394 2.197 0 40 DEAB COC(=O)c1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1 55553964 BAKGELWIAAEQCE-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CNC(=O)C1CC1 53543824 LDLDYFPRVZBTQD-ZDUSSCGKSA-N 304.390 2.244 0 40 DEAB C[C@@H]1CN(C(=O)c2cccnc2N2CCCCC2)C[C@@H](C)O1 42181966 SZLRDQMJZJPQAM-ZIAGYGMSSA-N 303.406 2.321 0 40 DEAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c(C)[nH]1 23391097 OBSKIMQRDSVSJI-DYZYQPBXSA-N 317.389 2.315 0 40 DEAB CC1(C)OC[C@H](COC(=O)c2cc3ccccc3oc2=O)O1 83773209 UPOJKOFVCRRFMJ-NSHDSACASA-N 304.298 2.101 0 40 DEAB COCCCNC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 42901144 YYZYMSCBNIZREY-CQSZACIVSA-N 320.389 2.341 0 40 DEAB CC1(CNS(=O)(=O)c2cccnc2)Cc2ccccc2C1 93938754 BWEHHDYQCSROMU-UHFFFAOYSA-N 302.399 2.165 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@H](C)Oc2cccc(F)c2)c(=O)[nH]1 24631975 YPMCMVVOHMTMPR-LBPRGKRZSA-N 318.348 2.215 0 40 DEAB O=C1CN(C(=O)COc2ccc(F)cc2F)c2ccccc2N1 24878203 KAWNYSLSMZFGFG-UHFFFAOYSA-N 318.279 2.329 0 40 DEAB CCOC(=O)CN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O 1387476 DTNQNOCELQQYTK-QPJJXVBHSA-N 316.357 2.250 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3C[C@H]4CC[C@H]3O4)c12 107518732 KGDLAYMXBFAXKC-DDTOSNHZSA-N 313.357 2.458 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2)cn1 69967931 HKSXRELUZSNVLS-AWEZNQCLSA-N 301.394 2.349 0 40 DEAB COc1ccc(N)cc1NC(=O)c1ccc2c(c1)OCCO2 57340179 PIDMDSAPUBHFNY-UHFFFAOYSA-N 300.314 2.301 0 40 DEAB CCCCc1n(CCn2cc[n+](C)c2CCCC)cc[n+]1C 1812930 QFVUXFKHBOYUSY-UHFFFAOYSA-N 304.482 2.324 0 40 DEAB O=C1NCCN(C(=O)c2ccoc2)[C@@H]1c1ccccc1Cl 97086611 JRXUMFHZYDQNTJ-CYBMUJFWSA-N 304.733 2.246 0 40 DEAB Cc1cccc(C)c1OCC(=O)Nc1cnn(CCN(C)C)c1 58265166 RGWDXNAIGLRFAC-UHFFFAOYSA-N 316.405 2.079 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)no1 72231908 CGFQGFUHVHBDHQ-UKRRQHHQSA-N 313.357 2.088 0 40 DEAB CCn1cnnc1CNC(=O)N[C@@H](C)Cc1ccc(Cl)cc1 44953962 ZUFUCQMSVWSQMW-NSHDSACASA-N 321.812 2.382 0 40 DEAB Cn1c(Cl)cnc1CN1CCCc2c(C(N)=O)cccc21 44977466 NBDVGRRLUIPPND-UHFFFAOYSA-N 304.781 2.125 0 40 DEAB C[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)nc2)C[C@@H](C)O1 44951525 LOMSWAFLKHXJIG-BETUJISGSA-N 304.394 2.323 0 40 DEAB CCNC(=O)c1ccc(NC(=O)NCCCOCC)c(C)c1 48108931 LQKAXPFSNZDYOR-UHFFFAOYSA-N 307.394 2.293 0 40 DEAB COc1ccc([C@H](C)NC(=O)N[C@H](C)Cn2cccn2)cc1F 48173643 FJFVYGRXXRYPOI-NEPJUHHUSA-N 320.368 2.480 0 40 DEAB C[C@@H](NC(=O)CCC(=O)c1cccs1)c1nnc2n1CCC2 48234384 KZIXTMMRYDZOKD-SNVBAGLBSA-N 318.402 2.126 0 40 DEAB Cc1ccc([C@@H](O)CN2CCC[C@H](Cn3cncn3)C2)cc1C 69815199 BAGOMSBZKFSCKC-WMZOPIPTSA-N 314.433 2.341 0 40 DEAB CCc1nc(CN2CCC[C@H](CN3CCOCC3)C2)cs1 69803614 NKCKLDFLQBUJKA-CQSZACIVSA-N 309.479 2.250 0 40 DEAB O=C(CS(=O)(=O)c1ccccc1)Nc1cc(F)ccc1F 48548553 XCCSWHCPDLMEBR-UHFFFAOYSA-N 311.309 2.377 0 40 DEAB O=C(CNC(=O)NCC(F)(F)F)Nc1ccc(Cl)cc1 12930352 HPUGMKFAQYOYIA-UHFFFAOYSA-N 309.675 2.140 0 40 DEAB COC(=O)c1ccc(CNC(=O)[C@@H]2CC2(Cl)Cl)cc1 8778469 AQSGOHWEZXOANI-JTQLQIEISA-N 302.157 2.283 0 40 DEAB C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 76010926 IYOMVLRWTLANBA-UWVGGRQHSA-N 318.295 2.210 0 40 DEAB O=C(O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 9576714 XYCHCSLSTDVJRY-UHFFFAOYSA-N 323.395 2.193 0 40 DEAB O=C1O[C@H](C(=O)Oc2ccc3c(c2)OCO3)Cc2ccccc21 5256017 IXSOTVCOMCIBJY-HNNXBMFYSA-N 312.277 2.102 0 40 DEAB NC(=O)c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 14171343 RPGIJKCJQKVEOA-CQSZACIVSA-N 316.744 2.381 0 40 DEAB CCOc1ccc(C(=O)O[C@@H](C)C(=O)NC2CC2)cc1OCC 4846249 UYNQTVNDWMXYJE-NSHDSACASA-N 321.373 2.308 0 40 DEAB Cc1cc(C(=O)N2CCO[C@@H](c3ccc(F)c(F)c3)C2)[nH]n1 66705700 CSGFVWGMBCMBIA-CQSZACIVSA-N 307.300 2.210 0 40 DEAB COc1ccc2[nH]cc(CC(=O)Nc3ccnc4ccnn34)c2c1 71888859 ULTDLEYSRNFLEY-UHFFFAOYSA-N 321.340 2.400 0 40 DEAB Cn1nc(CC(C)(C)C)cc1NC(=O)COC[C@H]1CCCO1 71888535 BGRURTMGYNZGRH-CYBMUJFWSA-N 309.410 2.143 0 40 DEAB O=S1(=O)CCN2C(c3cc(F)ccc3F)=CSC2=N1 7736503 QHTWQXUMKFQQJT-UHFFFAOYSA-N 302.327 2.011 0 40 DEAB CSc1ccc(CN(C)CC(=O)NC[C@@H]2CCCO2)cc1 16378517 FFNOTKNESNMOTQ-AWEZNQCLSA-N 308.447 2.136 0 40 DEAB Cc1cc(CN2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)no1 71835138 UIIWFPIQDHGABH-LSDHHAIUSA-N 315.373 2.024 0 40 DEAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(C(N)=O)cn2)s1 69327212 SFRUADQJVQATNX-SNVBAGLBSA-N 303.387 2.384 0 40 DEAB Cc1cnc(S(=O)(=O)Cc2nc(-c3ccco3)oc2C)nc1 91576238 RJVYRSNCQDDXCX-UHFFFAOYSA-N 319.342 2.315 0 40 DEAB O=S1(=O)CC[C@@H](Nc2ncnc3sc4c(c23)CCCC4)C1 8401296 SVFHHBWBTKTADA-SECBINFHSA-N 323.443 2.169 0 40 DEAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)Cn1c(=O)cnc2ccccc21 72296810 SGUCDFWTJJONJM-ZIAGYGMSSA-N 313.401 2.290 0 40 DEAB CCCCCS(=O)(=O)N[C@@H]1CCCN(c2ccccn2)C1 97115560 LQGYOGWSTNNEGH-CQSZACIVSA-N 311.451 2.160 0 40 DEAB Cn1cc(C(=O)Nc2ccc3c(c2)OCO3)c(-c2cccnc2)n1 84314196 BGICAAFHTZAABO-UHFFFAOYSA-N 322.324 2.463 0 40 DEAB COCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1O 78875605 NDZTUFHYYPTSKF-UHFFFAOYSA-N 303.362 2.078 0 40 DEAB COC(=O)c1ccc(CN(C)Cn2nc(C)n(C)c2=S)cc1 95349867 UZHMEPBIFNDUQQ-UHFFFAOYSA-N 320.418 2.136 0 40 DEAB C[C@@H](NC(=O)/C=C/c1ccccn1)C(=O)N1CCCC[C@H]1C 84692156 YKKQMLCMTFCEIV-NPUYYSGSSA-N 301.390 2.001 0 40 DEAB CN1CC=C(CNC(=O)CCCOCc2ccccc2)CC1 95463249 FRNBAXDPNBMVQM-UHFFFAOYSA-N 302.418 2.362 0 40 DEAB O=C(c1ccn(C2CCCC2)n1)N(CCO)Cc1cccnc1 95447919 KFPHAMISOFGYLA-UHFFFAOYSA-N 314.389 2.028 0 40 DEAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@@H](C2OCCO2)C1 95978457 UTGHBWAFHACGQW-SMDDNHRTSA-N 321.421 2.132 0 40 DEAB COc1cccc(/C=C/C(=O)N[C@H](C)CO[C@H]2CCOC2)c1 79057707 JQYCVIQDKPPICQ-BLRPHBDSSA-N 305.374 2.019 0 40 DEAB Cc1nc(CNC(=O)N2CCN(c3cccs3)CC2)oc1C 89558448 KTMDUQIPAWPAQI-UHFFFAOYSA-N 320.418 2.385 0 40 DEAB CCc1noc(-c2ccc(C)c(NC(=O)NCC(C)(C)O)c2)n1 79834087 TXJBSLDSGSQBRY-UHFFFAOYSA-N 318.377 2.500 0 40 DEAB Cc1nn(C)c(C)c1OCC(=O)N1CCC(c2ccccc2)=N1 89512228 MAHWODUTXHQCTD-UHFFFAOYSA-N 312.373 2.052 0 40 DEAB O=C(NCc1ccncc1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123339 YOJAEUUEUBVXRR-UHFFFAOYSA-N 312.251 2.110 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 89920442 JIOBOROKWJSHDQ-GDBMZVCRSA-N 322.412 2.448 0 40 DEAB C[C@H]1CCCN(c2ncccc2C(=O)NC[C@H]2CCCO2)C1 211347743 UCQDWFSYDNKNLB-UONOGXRCSA-N 303.406 2.227 0 40 DEAB CC(C)CS(=O)(=O)c1ccc(OCC(=O)O)c(Cl)c1 218304594 LDKSBFCOGRGFBM-UHFFFAOYSA-N 306.767 2.233 0 40 DEAB COc1ccc([C@@H]2[C@@H](N)C(=O)N2c2cccc(C)c2)cc1OC 72227408 KELIFKBAEGSSCF-IAGOWNOFSA-N 312.369 2.427 0 40 DEAB COc1ccccc1-c1nnc(S[C@H]2CCN(C)C2=O)o1 78757736 XYIKGUSWIUMMOZ-NSHDSACASA-N 305.359 2.068 0 40 DEAB COc1ccc(-n2nnc(C(C)=O)c2NC[C@H]2CCCO2)cc1 72346383 MISKOKACENUIRZ-CQSZACIVSA-N 316.361 2.069 0 40 DEAB Cc1cc(C[C@H](C)NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)n[nH]1 181557538 UZQSWEHHUVVPJM-GXFFZTMASA-N 308.426 2.294 0 40 DEAB CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)C(C)C 222983290 TWYKUWGUZHFWRC-CYBMUJFWSA-N 306.406 2.204 0 40 DEAB Cc1ncc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 193489401 RBSFTMSVTSTFCL-UHFFFAOYSA-N 324.837 2.391 0 40 DEAB O=C(CCc1cccs1)NCC(=O)NCc1ccccc1 40090949 LHEMTSBGCCCZRI-UHFFFAOYSA-N 302.399 2.113 0 40 DEAB CCc1noc(CC)c1CC(=O)N[C@@H](C(=O)O)c1ccccc1 195542666 LYEZULBSPFPDEW-MRXNPFEDSA-N 316.357 2.284 0 40 DEAB CCN(C)C(=O)[C@H](C)NC(=O)N[C@H]1CCCc2cc(F)ccc21 191328361 ATCUWXCMWMAZTB-NHYWBVRUSA-N 321.396 2.369 0 40 DEAB CN(C)[C@H](CNC(=O)C(C)(C)O)c1cccc(C(F)(F)F)c1 191893965 WJOVDZHJODEFLB-GFCCVEGCSA-N 318.339 2.195 0 40 DEAB COC[C@H]1COCCC12CCN(C(=O)c1ccc(C)nc1)CC2 96106268 KACJGJUHODIAIH-INIZCTEOSA-N 318.417 2.295 0 40 DEAB CN1CC[C@H](Nc2ccc(OCc3ccccn3)c(F)c2)C1=O 96447870 AVGNVUURRUYCGT-HNNXBMFYSA-N 315.348 2.442 0 40 DEAB CCOC[C@@H](O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 96490634 OAHCTCXKPQYQCV-GJZGRUSLSA-N 317.433 2.448 0 40 DEAB Fc1cccc(CN2C[C@@H]3CN(C[C@H]4CCOC4)C[C@@H]3C2)c1 96161708 WDBOVLFGDAPXCF-ZACQAIPSSA-N 304.409 2.226 0 40 DEAB CN1CCC[C@H](NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 248138920 PNVVYSSGQSRTLM-DZGCQCFKSA-N 321.808 2.043 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)C1CC1 248874397 CCQDBJSIMCDNDG-BFHYXJOUSA-N 310.463 2.178 0 40 DEAB COc1ccc(C(=O)N2CCC3(CC2)OCCCO3)cc1F 96120496 OFHUCMPTAGSDPX-UHFFFAOYSA-N 309.337 2.204 0 40 DEAB CCN1C[C@@H](c2nc(Cc3c(F)cccc3F)no2)CC1=O 390833713 LVIUMWNNNSBGCE-VIFPVBQESA-N 307.300 2.274 0 40 DEAB CC[C@H]1CCCC[C@H]1OCC(=O)Nc1cc(N(C)C)ncn1 298569007 HDRKEDKPAFUWKC-QWHCGFSZSA-N 306.410 2.467 0 40 DEAB Cc1ccc(NC(=O)N2CCOCC2)c(OC[C@H]2CCCO2)c1 56515321 WZPQRLFARSBHSQ-CQSZACIVSA-N 320.389 2.417 0 40 DEAB Cn1cnnc1-c1ccccc1NS(=O)(=O)c1cccs1 55588504 OAKOFEWXOYULIB-UHFFFAOYSA-N 320.399 2.344 0 40 DEAB COc1ccc2c(c1)OC[C@H](C(=O)N1CCCSCC1)C2 69414130 NXXMGPYRBASTLF-CYBMUJFWSA-N 307.415 2.212 0 40 DEAB COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCc3nccn3C2)cc1 72280623 OEAVRZZYRAMDGA-KBMXLJTQSA-N 311.385 2.126 0 40 DEAB CCOC(=O)c1ccccc1Nc1nc(=O)c(C(C)(C)C)n[nH]1 5154450 KRRDGWWMSVOQET-UHFFFAOYSA-N 316.361 2.383 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1ccncc1)c1nccn1C 12221725 NNBAPEWPFRTBEY-INIZCTEOSA-N 322.368 2.343 0 40 DEAB COc1ccc(NC(=O)c2snc3c(O)nc(C)nc23)cc1 13564077 ONAFDXPJRIWJHV-UHFFFAOYSA-N 316.342 2.361 0 40 DEAB CNC(=S)N1CCN(c2cc(C)c3ccccc3n2)CC1 13692463 YAQCJZUNEXJOGZ-UHFFFAOYSA-N 300.431 2.170 0 40 DEAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nn2cnnc2)c1 14405958 HBDLXGNVSLHSNU-UHFFFAOYSA-N 321.340 2.223 0 40 DEAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccncc2)C1 15674101 WYXFRKMCTHLIHO-CVEARBPZSA-N 322.368 2.440 0 40 DEAB biogenic,in-vitro Cc1cc(O)n2nc(C3CCN(C(=O)C(C)(C)C)CC3)cc2n1 100137411 NJPQLZYIKSBZQR-UHFFFAOYSA-N 316.405 2.495 0 40 DEAB O=C(O)[C@@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 35302808 UCHIXSMQGKYCGD-NSHDSACASA-N 307.737 2.439 0 40 DEAB Cc1csc(NC(=O)CN2C(=O)CCOc3ccccc32)n1 22131156 SLBIDSJHZFASHX-UHFFFAOYSA-N 317.370 2.206 0 40 DEAB CCCCCN[C@H](CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O 4189772 VDNQZTCZOMVPCD-OAHLLOKOSA-N 321.421 2.314 0 40 DEAB COCc1ncn2c1CN(Cc1cccc(OC)c1)CCC2 2055713402 KLTODCHPGDFEMB-UHFFFAOYSA-N 301.390 2.444 0 40 DEAB Cc1ccc(CNC(=O)c2c(O)[nH]c3ccccc3c2=O)cc1 9044337 NEHCDOXLPPLKGY-UHFFFAOYSA-N 308.337 2.472 0 40 DEAB Cn1cc(CCC(=O)Nc2cnn(CCc3ccccc3)c2)cn1 72247046 TWWHIGCEYNMLBD-UHFFFAOYSA-N 323.400 2.431 0 40 DEAB O=C(Cc1noc2ccccc12)Nc1ccc2c(c1)NC(=O)CO2 24345481 CBPDVNDUBDEVDK-UHFFFAOYSA-N 323.308 2.340 0 40 DEAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc(Cl)c2c(c1)OCO2 40108182 YNEDEAOQHSHDCB-CHWSQXEVSA-N 322.792 2.425 0 40 DEAB CCc1ccc(CN(C)Cc2nc(O)c3cnn(C)c3n2)cc1 40555877 QRTNYOBFULYKAQ-UHFFFAOYSA-N 311.389 2.263 0 40 DEAB O=C(/C=C/c1nccs1)Nc1ccc(N2CCOCC2)nc1 40554681 ZACIVFFXFNYDBF-ONEGZZNKSA-N 316.386 2.027 0 40 DEAB COc1c(C)cnc(CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 101254745 GEKCYXXOVPMZGP-NZBPQXDJSA-N 312.369 2.014 0 40 DEAB Cn1c(=O)c2c(-c3ccccc3)n(C(C)(C)C)cc2n(C)c1=O 205294 FZLMXVFXHFUFTR-UHFFFAOYSA-N 311.385 2.461 0 40 DEAB CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1 413217 FUMHQZYOICVHCC-UHFFFAOYSA-N 318.358 2.018 0 40 DEAB CCOC(=O)Cc1c(C)[nH]c2cc(-c3ccccc3)nn2c1=O 18142623 YIZLWADDVGOMSD-UHFFFAOYSA-N 311.341 2.104 0 40 DEAB CCOC(=O)C(=Cc1cccc(NC(C)=O)c1)C(=O)OCC 1679116 MFUXMOXLHSHUMI-UHFFFAOYSA-N 305.330 2.155 0 40 DEAB C[C@@H]1CN(C(=O)CCNc2ncnc3sccc23)C[C@@H](C)O1 52445183 KLMIBMZZULRAAA-GHMZBOCLSA-N 320.418 2.129 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 32816000 DTLSUZOENIKUJH-GFCCVEGCSA-N 314.307 2.022 0 40 DEAB CCOCCCn1c(S)nnc1-c1c(Cl)c(C)nn1C 2755227 DNTBMWQULRLHSE-UHFFFAOYSA-N 315.830 2.356 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1 3451380 OKDQZPGPMQUWCA-TZMCWYRMSA-N 308.447 2.453 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C1CCC1 96010079 ZECNMESNZJYWOK-SWLSCSKDSA-N 316.405 2.065 0 40 DEAB CCOC(=O)[C@H](C(C)C)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O 105594792 LBIYSSBWQVJYQO-SRVKXCTJSA-N 313.781 2.092 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 8195866 HZVDQWDPKFPKPC-CHWSQXEVSA-N 312.435 2.064 0 40 DEAB Cc1cc(C(F)(F)F)nn1C[C@H](C)C(=O)Nc1ccn(C)n1 28234804 SYWQTWBTPPBCQP-QMMMGPOBSA-N 315.299 2.219 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cnc(C)s3)C2)n1 72235579 AGMAZOULHDLHCU-LBPRGKRZSA-N 305.407 2.137 0 40 DEAB Cc1cccc(CC(=O)Nc2ncc(C(N)=O)cc2Cl)c1 72286437 YMUJUCMSXCFEAC-UHFFFAOYSA-N 303.749 2.324 0 40 DEAB Cc1nc(CN2CC[C@@H]3[C@H]2CC(=O)N3c2cccnc2)cs1 107251810 VNKAFTOJVMKQEW-HUUCEWRRSA-N 314.414 2.226 0 40 DEAB Cc1ccc(C(=O)CSc2nnnn2C[C@H]2CCCO2)s1 12567882 HERXBKDWAMYKFI-SNVBAGLBSA-N 324.431 2.197 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3nc(C4CC4)cs3)nn12 26049864 ZFBLCKFVTJTPST-UHFFFAOYSA-N 300.347 2.019 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1 57355483 FPZBUAIVZREQME-AEFFLSMTSA-N 323.396 2.308 0 40 DEAB O=C(NC1CCN(C(=O)CC(F)(F)F)CC1)c1cccs1 57375615 ARCARIFDRAMUIY-UHFFFAOYSA-N 320.336 2.421 0 40 DEAB C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2 108366756 JCERAKZZCZWYLZ-DVUFPGTOSA-N 305.349 2.471 0 40 DEAB COCCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1 25163964 LZGSJAFCILBWLT-UHFFFAOYSA-N 316.332 2.454 0 40 DEAB Cc1cnc(C(=O)Nc2ccccc2OCCn2ccnc2)cn1 58278848 XQIZKWXFAKXKTL-UHFFFAOYSA-N 323.356 2.313 0 40 DEAB COCCN1CC[C@@H](CNC(=O)C2(c3ccccc3)CCC2)C1 58428778 CEODLXDMFWBZST-INIZCTEOSA-N 316.445 2.193 0 40 DEAB CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 36380040 OJKDFLDTHYKUKL-AWEZNQCLSA-N 317.433 2.301 0 40 DEAB Cc1cccc(OC[C@H](O)Cn2c(=O)n(C)c3ccccc32)c1 58647923 GUKVEOFGWHKQHW-CQSZACIVSA-N 312.369 2.088 0 40 DEAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)CN(CC)CC 69592735 YPBDSWKRQBXUCK-UHFFFAOYSA-N 301.394 2.314 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)Cn2cccn2)c(OC)c1 48262872 NTSRFSLKUVFZSP-OAHLLOKOSA-N 315.373 2.264 0 40 DEAB CCOc1ccc([C@H](C)NC(=O)NCc2cc[nH]n2)cc1OC 48261685 ZALDBKKTTIQWSX-NSHDSACASA-N 318.377 2.377 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)N(C)Cc2nnc3n2CCC3)o1 48364160 UFYSKMDHPHAWOB-LLVKDONJSA-N 303.366 2.028 0 40 DEAB CCOC(=O)c1cccnc1NCc1ccc(-n2ccnc2)nc1 48314354 YKWQIUYSLZIUEL-UHFFFAOYSA-N 323.356 2.451 0 40 DEAB CC(C)c1cc(C(=O)N(CC(=O)O)Cc2ccccc2)nn1C 97017973 ZHMLNRCKLYXGNJ-UHFFFAOYSA-N 315.373 2.271 0 40 DEAB NC(=O)c1ccccc1OCC(=O)Nc1ccccc1Cl 4562614 KOMIXBSZUDSDJX-UHFFFAOYSA-N 304.733 2.456 0 40 DEAB Cc1ccc2nc(CN3CCn4cccc4[C@H]3C)cc(=O)n2c1 14246886 XLEONHOQLIOWBU-CQSZACIVSA-N 308.385 2.381 0 40 DEAB Cc1c(Nc2cnn(C)c2)nn2c(C(F)(F)F)nnc2c1C 92620586 XSBZTGQAKJFIOP-UHFFFAOYSA-N 311.271 2.237 0 40 DEAB O=C(CNc1cccc(F)c1)NC(=O)NCc1ccccc1 8984574 GWUHDUUUGVZUIE-UHFFFAOYSA-N 301.321 2.264 0 40 DEAB c1ccc2[nH]c(CCNc3cc([C@H]4CCCNC4)ncn3)nc2c1 67841070 ILVAWBDQDFVSGT-ZDUSSCGKSA-N 322.416 2.475 0 40 DEAB O=C1CN(C(=O)CN2CCCCCCC2)c2ccccc2N1 7486684 WLEGVRIZBVCRHA-UHFFFAOYSA-N 301.390 2.238 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Oc1ccc(-n2cnnn2)cc1 7757469 DAOPALWAIHHCFC-UHFFFAOYSA-N 314.732 2.464 0 40 DEAB Cc1ccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)cc1C 7995072 LUCYYYWTAAKBJE-NEPJUHHUSA-N 313.469 2.307 0 40 DEAB COc1ncc(Cl)c(NCc2ccc(-n3cncn3)cc2)n1 91432027 JAAINBUXGSXKEA-UHFFFAOYSA-N 316.752 2.331 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)NCc1ccco1 71876650 YNOLNIFMOUVMKK-OAHLLOKOSA-N 316.405 2.083 0 40 DEAB O=C(NCc1nccn1C(F)F)NC1Cc2ccccc2C1 97377435 NEUWZSZIDJESOP-UHFFFAOYSA-N 306.316 2.245 0 40 DEAB Cc1cccc(C)c1OCCCN(C)[C@@H]1CCS(=O)(=O)C1 71903152 DXZDIQIZROOARE-OAHLLOKOSA-N 311.447 2.191 0 40 DEAB Cc1cnn(CC(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)c1 71921052 HNIWCVNGQQHPOY-UHFFFAOYSA-N 317.299 2.499 0 40 DEAB C[C@@H]1COc2ccccc2N1C(=O)c1ccc2c(c1)nnn2C 72531374 PHOOGTBSTGBTHU-LLVKDONJSA-N 308.341 2.396 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@H](O)C1)Oc1ccccc1F 84733676 XVRVRJCQKLIJNY-QWHCGFSZSA-N 310.369 2.149 0 40 DEAB CC[C@]1(C)NC(=O)N(CCCNc2ccncc2Cl)C1=O 95408615 YXMLCABHJAVZIN-AWEZNQCLSA-N 310.785 2.258 0 40 DEAB C[C@@H](NC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C1CCC1 95440367 DNAOCIAWUWHNSX-KOLCDFICSA-N 321.343 2.028 0 40 DEAB CC(C)(C)NC(=O)N1CCOC[C@H]1C[C@@H](O)c1ccccc1 95427268 NIMHGHGHVLFEEU-HUUCEWRRSA-N 306.406 2.319 0 40 DEAB COc1cc(Cl)c(CN2CC[C@@H](C(N)=O)C2)cc1Cl 95982246 JRLJALSYDQANRS-MRVPVSSYSA-N 303.189 2.309 0 40 DEAB C[C@@H]1CCC[C@@H](C)C1NC(=O)c1ccc(OCC(N)=O)cc1 95960444 LLRLMVHSHYEENY-VXGBXAGGSA-N 304.390 2.105 0 40 DEAB c1ccc(-c2nc(N3CCN(C4CCOCC4)CC3)no2)cc1 95945765 GYQGMOVDSKXCNF-UHFFFAOYSA-N 314.389 2.038 0 40 DEAB CC(C)Cc1nnc([C@@H](C)n2nc(-c3ccco3)oc2=O)o1 95990782 GTQRHMJIISLUQO-SECBINFHSA-N 304.306 2.287 0 40 DEAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](C(=O)O)C3)c12 95969529 SYHLZGDXJRZBSP-GFCCVEGCSA-N 300.358 2.342 0 40 DEAB Cc1noc(C)c1CN[C@](C)(C(N)=O)c1cccc(Cl)c1 89529371 WSXSSVVUUCTGGN-HNNXBMFYSA-N 307.781 2.435 0 40 DEAB CCc1n[nH]c([S@@](=O)Cc2ccc(OC(F)F)cc2)n1 86331250 UMHDXLMWSUTSTG-HXUWFJFHSA-N 301.318 2.276 0 40 DEAB C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1nnc2n1CCC2 86428418 BNKNPVINRJRWRV-STQMWFEESA-N 319.453 2.281 0 40 DEAB Cn1cc(CN2CCn3c(-c4cccc(F)c4)cnc3C2)cn1 306131421 KDXGLHXVPAHJRA-UHFFFAOYSA-N 311.364 2.439 0 40 DEAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc(Cl)cc1 4503960 RUBITVVMWYOUKW-MELADBBJSA-N 321.808 2.068 0 40 DEAB COc1cc(F)c(S(=O)(=O)Nc2ccncc2)cc1OC 78554403 CPRPYKOVELRXKB-UHFFFAOYSA-N 312.322 2.039 0 40 DEAB CNc1cccc([C@@H]2CCCN(C(=O)c3coc(C)n3)C2)n1 72364597 VVYAIXXXZJHUMT-GFCCVEGCSA-N 300.362 2.440 0 40 DEAB Cc1ccccc1CNC(=O)NCCCOC[C@H]1CCOC1 77587407 UYACBPMJEVTJNE-OAHLLOKOSA-N 306.406 2.237 0 40 DEAB O=C(NCC1CCOCC1)c1ccc(Nc2ncccn2)cc1 79486406 ZYDUNBXDKOVELN-UHFFFAOYSA-N 312.373 2.377 0 40 DEAB Nc1cc(C(=O)NCc2cccnc2)ccc1Br 32204537 SZSFKHYQYWLVNF-UHFFFAOYSA-N 306.163 2.356 0 40 DEAB COC(=O)c1ccc(CSc2ccc(-n3cccn3)nn2)o1 70635186 WDCUZFWKAHEHKB-UHFFFAOYSA-N 316.342 2.334 0 40 DEAB CCCN(C(=O)c1[nH]c(O)nc1C)[C@H]1C[C@@H](OCC)C1(C)C 565187107 AVHBCGWYMMLCLX-NWDGAFQWSA-N 309.410 2.480 0 40 DEAB CC(C)N(Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@H](C)N)C1 79415535 WTCGRYPKYZKMFN-DOTOQJQBSA-N 303.450 2.235 0 40 DEAB CCCCC(=O)Nc1ccc(N2C[C@H](C(=O)OC)CC2=O)cc1 45953861 NGXVKMUMDZNKGP-GFCCVEGCSA-N 318.373 2.341 0 40 DEAB COCCn1cc(CNC(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)cn1 225693445 BWUHYPQLZKSFAY-VNHYZAJKSA-N 308.426 2.153 0 40 DEAB Cc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1C 224348276 MMHRIAUEMYSQPY-UHFFFAOYSA-N 313.405 2.478 0 40 DEAB CC(C)CN1CCC(O)(c2csc(CN3CCC3)n2)CC1 225421764 NWRRHLSFEVSXQF-UHFFFAOYSA-N 309.479 2.288 0 40 DEAB biogenic,in-vitro Cc1cc(C)c2cc(C(=O)N3CCNC[C@H]3C(F)F)[nH]c2c1 574923998 NJLPPEPFXUPGCD-AWEZNQCLSA-N 307.344 2.464 0 40 DEAB CC[C@H](N[C@@H]1CCCN(c2cccc(OC)c2)C1)C(=O)OC 192850070 DWVQGCFDGIDKQM-CJNGLKHVSA-N 306.406 2.205 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2c2nc(N)nc3[nH]cnc23)c1 97115339 CWDQBVIOHUDARA-ZDUSSCGKSA-N 323.404 2.343 0 40 DEAB C[C@H]1CCO[C@H]1C(=O)N(c1ccc(F)cn1)C1CCOCC1 95427929 IDSSUVKHWMTYHZ-XHDPSFHLSA-N 308.353 2.158 0 40 DEAB Cc1ccc(C)c(NC(=O)CS[C@H]2NN[C@@H]3C=CC=CN32)c1 96305916 GJARQDXHDWSJGW-HOCLYGCPSA-N 316.430 2.078 0 40 DEAB Cc1ccc(CN(C(=O)[C@H](C)S(C)(=O)=O)C2CC2)cc1C 96418927 QBWSGXNVAHESDK-ZDUSSCGKSA-N 309.431 2.228 0 40 DEAB C[C@@H]1CO[C@@H](CO)CN1Cc1ccc(CSC(F)F)o1 92042357 AKNMGDYRJLAUHC-BXKDBHETSA-N 307.362 2.317 0 40 DEAB O=C(c1cscn1)N1C[C@H]2CN(CC3CCCC3)C[C@@H]2C1 96080971 YDEFBYREERBPKZ-ZIAGYGMSSA-N 305.447 2.337 0 40 DEAB COC[C@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)C1CC1 252489658 JVQFWJGRPYJBIY-HOTGVXAUSA-N 306.406 2.061 0 40 DEAB C[C@@H]1Oc2cc(S(=O)(=O)Nc3ccccc3)ccc2NC1=O 252482507 DHINPRINFCBNQO-JTQLQIEISA-N 318.354 2.207 0 40 DEAB CCc1nccn1CC(=O)N1CCC[C@H]1c1ccnc(NC)c1 257333791 YDAZOOLQVGTSIR-AWEZNQCLSA-N 313.405 2.246 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 257304994 SNZBZXXRGRKFKQ-AWEZNQCLSA-N 315.421 2.397 0 40 DEAB O=C(Nc1cc2n(n1)CCCC2)N[C@H]1COc2ccccc2C1 287288849 IPPQYCOUDFRCBY-CYBMUJFWSA-N 312.373 2.345 0 40 DEAB O=C(c1ccc(Cl)cc1)N1CC[C@@H](Oc2ccncn2)C1 575606593 QDGIBHRLMWQZRI-CYBMUJFWSA-N 303.749 2.424 0 40 DEAB O=C(C1CCC1)N1Cc2ccnn2[C@H](CCN2CCCCC2)C1 585095799 LRESHNDAPSPVHF-QGZVFWFLSA-N 316.449 2.443 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(Cl)c(Cl)n1C 49090978 HUYGRJRDIAWJIS-JGVFFNPUSA-N 318.204 2.058 0 40 DEAB Cc1nn(C)c2sc(C(=O)N3CCN(CC4CC4)CC3)cc12 55672595 HTFWWFFNUQXCMX-UHFFFAOYSA-N 318.446 2.111 0 40 DEAB Cc1noc(C)c1CN(C)S(=O)(=O)CCc1ccccc1 56044212 HTICOWNEPAPLED-UHFFFAOYSA-N 308.403 2.296 0 40 DEAB Cc1ncc(-c2nc(CC(=O)NCc3ccccc3)no2)s1 69737027 ZLNRRFRQLOTINI-UHFFFAOYSA-N 314.370 2.360 0 40 DEAB CC(C)CNC(=O)C1(NCc2nnc(C3CC3)o2)CCCC1 85910798 QEWUHVFRNQMOLK-UHFFFAOYSA-N 306.410 2.122 0 40 DEAB CC[C@@H](C)NC(=O)Cn1cccc2cc([C@H]3CCCNC3)nc1-2 12241872 VXABRGGIUDEMJK-HIFRSBDPSA-N 314.433 2.370 0 40 DEAB O=C(CCNC(=O)c1ccco1)NCCc1ccc(Cl)cc1 12801303 DMEZMSGUZDGDFJ-UHFFFAOYSA-N 320.776 2.412 0 40 DEAB COc1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1 13110445 NYUPWRWEURCOPC-UHFFFAOYSA-N 308.337 2.467 0 40 DEAB CC(=O)N1CCN(C(=O)C23CC4C[C@H](CC[C@H](C4)C2)C3)CC1 16778743 KHXVJPSWTIZKFM-SFYZZRBRSA-N 304.434 2.284 0 40 DEAB O=C(CN1C(=O)C(=O)O/C1=C\c1ccccc1)Nc1ccccc1 18091301 QMSQXIAKTBAJII-WJDWOHSUSA-N 322.320 2.009 0 40 DEAB Cn1cc(C(=O)N2CC[C@H](c3nc(C4CCCC4)no3)C2)cn1 19290533 RLRDPEHTLLKARD-LBPRGKRZSA-N 315.377 2.090 0 40 DEAB CC(C)c1cc(=O)[nH]c([C@H]2CCCN2C(=O)c2ccccn2)n1 19452577 CILHMHZTAJNEEZ-CQSZACIVSA-N 312.373 2.266 0 40 DEAB Cc1ccc2nc(N3CCO[C@@H](C(=O)NC4CC4)C3)sc2c1 1889108877 DKWBLAWLLZOJIU-CYBMUJFWSA-N 317.414 2.089 0 40 DEAB Cc1nc(-n2cccc2)sc1C(=O)N1CCn2nccc2C1 238814533 BDCHSDNRHQERRK-UHFFFAOYSA-N 313.386 2.095 0 40 DEAB CCn1ncc(Br)c1C(=O)Nc1nccc(C)n1 28223870 POAGSSDWAKNTTH-UHFFFAOYSA-N 310.155 2.016 0 40 DEAB O=C(CSc1nnc(COc2ccccc2)o1)N1CCCC1 418577 DMHIZNKAVNGZCI-UHFFFAOYSA-N 319.386 2.363 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCCCc1ccccc1 585149543 FHUYPKFXWPUHOJ-HUUCEWRRSA-N 302.418 2.144 0 40 DEAB O=C(NCc1ccccc1OC(F)(F)F)c1cc(O)ncn1 244933226 CIFIDFUPVDJGOV-UHFFFAOYSA-N 313.235 2.011 0 40 DEAB Cn1c(NC(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc21 8783069 RFPDSQADZORCBG-UHFFFAOYSA-N 319.324 2.062 0 40 DEAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1 100692250 OLKDNSHIBVZEPR-UKRRQHHQSA-N 324.384 2.173 0 40 DEAB CC[C@@](C)(CNC(=O)c1cccnc1SC)N1CCOCC1 31929152 CNKAIMKVEPCUME-INIZCTEOSA-N 323.462 2.034 0 40 DEAB O=C(O)c1ccc([C@@H]2SC=C3Sc4nncn4N32)cc1 20733516 CCQQEWUPYFGEJS-JTQLQIEISA-N 304.356 2.265 0 40 DEAB COc1ccccc1CNC(=O)CNC(=O)Nc1ccccc1 11775660 RERYXORPCGBYSM-UHFFFAOYSA-N 313.357 2.133 0 40 DEAB CC(C)C[C@@H](OC(=O)c1ccco1)C(=O)NC[C@H]1CCCO1 4356287 PUEJQRBGQSWHSV-TZMCWYRMSA-N 309.362 2.146 0 40 DEAB CCOc1ccccc1NC(=O)COc1ccccc1C(N)=O 4562633 WNTXZQIWSGHYRG-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB COC(=O)c1ccc(COc2c(OC)cccc2C(N)=O)cc1 32958227 OQCAIOHVCJIFGA-UHFFFAOYSA-N 315.325 2.160 0 40 DEAB CCC(=O)NCC(=O)OCC(=O)Nc1c(C)cccc1C(C)C 32933288 CVHIRTZPAMZARS-UHFFFAOYSA-N 320.389 2.126 0 40 DEAB CCS(=O)(=O)c1ccccc1NCc1c(C)nn(C)c1C 37124386 UGGMINLKYUAZBK-UHFFFAOYSA-N 307.419 2.443 0 40 DEAB O=C(c1ccncc1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108530095 IHCRDJOAGDHJGK-UHFFFAOYSA-N 323.400 2.369 0 40 DEAB CN(Cc1ccco1)C(=O)CN1C(=O)CSc2ccccc21 21902962 RKSROVRNTKMEPM-UHFFFAOYSA-N 316.382 2.377 0 40 DEAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2c(c1)OCO2 8300447 ASIFYASGCITDEV-KCQAQPDRSA-N 316.401 2.266 0 40 DEAB biogenic,in-vitro COCc1cccc(C(=O)N2CCN(c3nccs3)CC2)c1 23008915 REQVLBOUEYVZLA-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB C[C@H](NC(=O)CN1CCOCC1)C12CC3CC(CC(C3)C1)C2 23109870 ZWSOMHHDSBCSSP-IILDEKEXSA-N 306.450 2.040 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3c(=O)o2)cc1 1016253 GVTWKFSQENDVJJ-UHFFFAOYSA-N 316.338 2.297 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Cc1coc2cc(OC)ccc12)C(N)=O 70698508 UCTICIVQQFELBF-HWPZZCPQSA-N 318.373 2.000 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 102246452 CZQDHPQTMYYWFI-MISXLKTNSA-N 317.341 2.143 0 40 DEAB Cc1nc(C)c(CCNC(=O)c2ccc3[nH]nnc3c2)s1 71888376 HJQLDNIEDQLDOR-UHFFFAOYSA-N 301.375 2.004 0 40 DEAB C[C@H](NC(=O)NCCN1CCOCC1)c1ccc(Cl)s1 47618071 GQRORTROLICXPR-JTQLQIEISA-N 317.842 2.094 0 40 DEAB Cc1cccc(COC(=O)c2cc(S(N)(=O)=O)ccc2C)c1 24710359 MJVOYDZYMQSZSX-UHFFFAOYSA-N 319.382 2.308 0 40 DEAB Cc1csc(N2CCCN([C@H](C)c3nnc(C)o3)CC2)n1 106830445 YAQQFDQHBXFWPN-LLVKDONJSA-N 307.423 2.416 0 40 DEAB Cc1cc(N[C@H](C)CN2CCOCC2)ncc1Br 97022071 ULPCNJJLEOVWLT-LLVKDONJSA-N 314.227 2.285 0 40 DEAB CCCCNC(=O)Cn1c(-c2ccc(F)cc2)nc(C)cc1=O 57522207 GJHUJVQFELOKFS-UHFFFAOYSA-N 317.364 2.274 0 40 DEAB O=C(N1CCOCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 27339165 DFZMUGJHXKUAOW-UHFFFAOYSA-N 314.389 2.195 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccsc1C)C2 108528659 VZGXMDIKRYXBFX-CZUORRHYSA-N 306.431 2.435 0 40 DEAB O=C(Nc1cccnc1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 44972785 XDBQFOYDZAPCHE-HUUCEWRRSA-N 305.378 2.274 0 40 DEAB COCc1cccc(CNCc2c(C)nn(C)c2N(C)C)c1 58405363 WYLOVATYAZEDQX-UHFFFAOYSA-N 302.422 2.231 0 40 DEAB CCc1ccccc1NC(=O)CN(C)CC(=O)NC1CCCC1 12992668 PDAATKKIBXSUBR-UHFFFAOYSA-N 317.433 2.178 0 40 DEAB O=C(NCCCO[C@@H]1CCCc2ccccc21)c1c[nH]nn1 71905238 BUFXEFYXAWLMDQ-OAHLLOKOSA-N 300.362 2.019 0 40 DEAB COC(=O)Cn1cc(/C=C2\SC(=O)NC2=O)c2ccccc21 13802121 DHQOBNAAGJUPJH-SDQBBNPISA-N 316.338 2.138 0 40 DEAB C[C@@H](SC1=NCCS1)C(=O)N1CC(=O)Nc2ccccc21 9049849 HOFHGZIPXLIJRU-SECBINFHSA-N 321.427 2.196 0 40 DEAB CCCCS(=O)(=O)NCCc1ccc(-n2cccn2)cc1 65489176 IAPSZDDLSXZDQG-UHFFFAOYSA-N 307.419 2.134 0 40 DEAB Cc1ccc(NC(=O)NCCCN2CCOCC2)c(Cl)c1 65587023 AZZDRZRHTXURIN-UHFFFAOYSA-N 311.813 2.492 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)N[C@@H]1CCc2ccccc21 16471946 CNLXNTIEAVVANT-QGZVFWFLSA-N 319.364 2.200 0 40 DEAB Clc1nc(N2CCN(c3ccccc3)CC2)c2nc[nH]c2n1 9419769 CKXSAVMCPNNWFG-UHFFFAOYSA-N 314.780 2.333 0 40 DEAB C[C@H](Sc1ncccn1)C(=O)Nc1ccc2c(c1)OCO2 8395282 WVFYTUFPUIZUDL-VIFPVBQESA-N 303.343 2.325 0 40 DEAB CCCN(CC(F)F)C(=O)N[C@@H](C)C(=O)N1CCCC[C@H]1C 71799468 MVKIGVBLOTWOGA-NEPJUHHUSA-N 319.396 2.463 0 40 DEAB C[C@H]1CN(C(=O)NCCc2ccc(N(C)C)cc2)C[C@H](C)O1 69416568 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Cc1nc(C(=O)Nc2ccc(OCC(=O)O)cc2C)cs1 95425262 SYRLYOYAYARLAV-UHFFFAOYSA-N 306.343 2.476 0 40 DEAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCN(CC)CC1 20459906 UTXRNOKXOBHXKY-INIZCTEOSA-N 306.406 2.017 0 40 DEAB Cn1ccc(CNC(=O)c2ccc(Br)c(O)c2)c1 95978973 FWRLZKQAVQOLAK-UHFFFAOYSA-N 309.163 2.423 0 40 DEAB Cc1nc(NS(=O)(=O)c2cccc(Cl)c2Cl)no1 95994087 HBIIXPVMSYDRIN-UHFFFAOYSA-N 308.146 2.486 0 40 DEAB CC(C)c1nccn1CCC(=O)NC(=O)NCc1ccccc1 95974642 SLWWCNWRCLEIMI-UHFFFAOYSA-N 314.389 2.423 0 40 DEAB O=C(CNC(=O)Nc1ccccc1-c1ccncc1)NCC1CC1 95994333 UUELYAOJYSRHSJ-UHFFFAOYSA-N 324.384 2.396 0 40 DEAB CN(C)CC(C)(C)CNC(=O)c1coc(Br)c1 74289136 PQRYLBCCHQMYNX-UHFFFAOYSA-N 303.200 2.360 0 40 DEAB COC(=O)c1ccc(CN2CCCC[C@@H]2C(=O)NC(C)(C)C)o1 75137045 DOQDIVHHIIBYCV-CYBMUJFWSA-N 322.405 2.335 0 40 DEAB CCn1nc(C)cc1C(=O)N1CC[C@H](OCc2cccnc2)C1 75105296 MZVWGTNOCKYVJS-HNNXBMFYSA-N 314.389 2.038 0 40 DEAB C[C@]1(CNC(=O)N(Cc2cccs2)C2CC2)CCC(=O)N1 517221015 ITVHIDLOWCRXMS-OAHLLOKOSA-N 307.419 2.091 0 40 DEAB CC(C)(C)OC(=O)N(C1CC1)[C@@H]1CCCC[C@H]1NCC(=O)O 79410836 KHRQCZBUDWJOIO-CHWSQXEVSA-N 312.410 2.371 0 40 DEAB O=C(c1cccs1)N1CCC[C@@H](c2n[nH]c3nccnc23)C1 72393859 PLZMGPZLQBUPCT-SNVBAGLBSA-N 313.386 2.434 0 40 DEAB O=C(NC[C@H](O)C1CCCCC1)C(=O)Nc1ccccc1Cl 69970789 FEZUKDFEBKRZBH-AWEZNQCLSA-N 324.808 2.336 0 40 DEAB OCCN1CCO[C@H](COc2c(Cl)cccc2Cl)C1 217494740 DBQPWYUJKZTOQW-JTQLQIEISA-N 306.189 2.065 0 40 DEAB C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1 78978938 JLPLYSDAANFKKT-SECBINFHSA-N 303.811 2.417 0 40 DEAB COc1ccc(-c2ocnc2C(=O)NC[C@@H](O)C2CCC2)cc1 562638861 SIZYPOAYXQMDON-CQSZACIVSA-N 316.357 2.241 0 40 DEAB CCC[C@H](C)N1C[C@H](C(=O)NCc2ccc(F)cc2)CC1=O 40156603 ZRFGWARZDYKLNW-GXTWGEPZSA-N 306.381 2.479 0 40 DEAB Cc1cc(F)cc(C)c1C(=O)NC[C@@H](C(=O)O)C1CCOCC1 570699487 ZZCRNNUUSSBCCU-CQSZACIVSA-N 323.364 2.300 0 40 DEAB O=S(=O)(Cc1ccccc1)Nc1cnc(N2CCCC2)nc1 75162111 PKXNHPCXYTZHGJ-UHFFFAOYSA-N 318.402 2.019 0 40 DEAB O=C(NCC1(CF)CCOCC1)c1cnnc2ccccc12 529451058 ICMSWRFKVQIJNW-UHFFFAOYSA-N 303.337 2.126 0 40 DEAB CC(C)(C)NS(=O)(=O)c1ccccc1CNCc1ccc[nH]1 190736350 NCVWCUVLJVBMAN-UHFFFAOYSA-N 321.446 2.381 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 195571630 PQJFCZLNFCAKRI-MGPQQGTHSA-N 302.422 2.367 0 40 DEAB CSc1ncccc1C(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 225670264 MGOQAXDWFVUMOL-HZMBPMFUSA-N 312.398 2.496 0 40 DEAB COc1cc(N2CCCCC2)nc(NC(=S)NCC(C)C)n1 225890609 PKIHBTFPIXCPOZ-UHFFFAOYSA-N 323.466 2.418 0 40 DEAB CCS(=O)(=O)[C@@H](C)C(=O)c1ccc(Br)cc1 81907166 SJBIHRGWKJCTLY-QMMMGPOBSA-N 305.193 2.455 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)c2onc(C)c2C(=O)O)cc1 96297059 UFPOJULVNCQWMK-SNVBAGLBSA-N 324.358 2.029 0 40 DEAB biogenic,in-vitro CN(Cc1ccccn1)[C@@H]1C=CC2(CC1)CCN(C(N)=O)CC2 96159851 URZXWORLRVZOLE-MRXNPFEDSA-N 314.433 2.393 0 40 DEAB CCN(C(=O)C1C2CC3CC(C2)CC1C3)[C@@H]1CC(O)=NC1=O 97000620 IIJSKFNBGLWVED-CNOYCBBQSA-N 304.390 2.163 0 40 DEAB CC(=O)N1C[C@@H](C)CN(C(=O)c2cnsn2)c2ccccc21 96432620 FZMWYPQYUSOSQP-SNVBAGLBSA-N 316.386 2.188 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95448301 BDJBZTVABQCBKT-CYBMUJFWSA-N 300.362 2.407 0 40 DEAB O=C(NCc1ccco1)N1CCC([C@H](O)C(F)(F)F)CC1 96476320 QLPRVLAFDVNXGW-NSHDSACASA-N 306.284 2.124 0 40 DEAB CCN1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1 96228882 CRLAFLPBJGMZKO-MRXNPFEDSA-N 308.447 2.323 0 40 DEAB O[C@H](COCc1cccs1)CN1CCC(c2cn[nH]c2)CC1 97200413 KVJDEASMASFQKL-HNNXBMFYSA-N 321.446 2.228 0 40 DEAB CCOC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1csc(C)n1)C2 248158920 WOQQVPALGLKJAK-CYBMUJFWSA-N 323.462 2.024 0 40 DEAB C[C@H]1C[C@@H](N2C(=O)[C@@H]3CCCN3C2=O)CN1Cc1ccccc1 348918794 AUCMNQMYXWGBSZ-IMJJTQAJSA-N 313.401 2.076 0 40 DEAB Cc1nccc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257281079 ONMRQXYGCOTWCS-QGZVFWFLSA-N 323.400 2.245 0 40 DEAB Cc1nc[nH]c1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1 257336507 YOTOWFJBVXUHNL-IRXDYDNUSA-N 319.380 2.262 0 40 DEAB COc1ccc([C@@H]2CN(C3CCOCC3)CCN2C(C)=O)cc1 257282000 ORVOIWMPWOAEOU-SFHVURJKSA-N 318.417 2.079 0 40 DEAB Cc1cccc(-c2nccnc2[C@H]2CCCN(C(=O)CO)C2)c1 257317525 VKCGUTNOOABOIK-HNNXBMFYSA-N 311.385 2.150 0 40 DEAB COc1ccc(C(=O)N2CC[C@H]3NCCCC[C@H]3C2)cc1F 257326769 WYNJXKQIHNRJIZ-DZGCQCFKSA-N 306.381 2.439 0 40 DEAB COCC(=O)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 257230823 GEBMTVGQLOTDQG-CQSZACIVSA-N 313.401 2.447 0 40 DEAB CCOC(=O)c1cc(NC(=O)N[C@@H](C)CCO)c(F)cc1C 252491724 LRONLJYZQQQVJW-JTQLQIEISA-N 312.341 2.203 0 40 DEAB c1ccc(CN2CCC[C@H](c3nc(Cn4ccnn4)no3)C2)cc1 585140797 LABSOXPZAVJVOA-HNNXBMFYSA-N 324.388 2.089 0 40 DEAB C[C@@H]1c2nnc(COc3ncccc3F)n2CCN1CC1CC1 585097239 JBIHZGXXVOGDAL-LLVKDONJSA-N 317.368 2.178 0 40 DEAB COC(=O)NCC(=O)Nc1nc2ccccc2n1-c1ccccc1 55423272 IGDHWJYWAYEVDX-UHFFFAOYSA-N 324.340 2.320 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(F)cc1 58062011 DBCZTWUVYZYQRW-NWDGAFQWSA-N 322.380 2.208 0 40 DEAB Cc1ccc(-c2noc(CN3CCC[C@@H](C(=O)O)C3)n2)cc1 70458605 ZWQPXEXDKPDTLB-CYBMUJFWSA-N 301.346 2.342 0 40 DEAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Cl)ccc1O 67139006 KEBGDEARCQIUCZ-QMMMGPOBSA-N 308.721 2.396 0 40 DEAB CO[C@@]1(CNS(=O)(=O)c2ccccc2Cl)CCSC1 96097662 WABWQOWEUZPZRH-GFCCVEGCSA-N 321.851 2.140 0 40 DEAB Brc1cnn(CC2CN(Cc3ccncc3)C2)c1 1888856821 QTMHLLAFQFXRNQ-UHFFFAOYSA-N 307.195 2.173 0 40 DEAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 13265058 ZKRVSZIIDKEWKV-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB CNc1cc(CCNC(=O)CC(C)C)nc(-c2ccccn2)n1 19446726 IIFBZDPXXOKOMZ-UHFFFAOYSA-N 313.405 2.285 0 40 DEAB CCC(=O)NCc1ccc(-c2cc(CN(C)C)n(C)n2)cc1 19499304 FQLDUTOGGRBTBL-UHFFFAOYSA-N 300.406 2.175 0 40 DEAB COCCn1c([C@@H]2CC(=O)N(CC3CC3)C2)nc2ccccc21 8845089 CCULZZTUPKMGSE-CQSZACIVSA-N 313.401 2.409 0 40 DEAB CN(c1ccccn1)C1CCN(Cc2nnc(C3CC3)o2)CC1 1888856742 BJOQBXJNJZMTAK-UHFFFAOYSA-N 313.405 2.443 0 40 DEAB Cc1nc(NC(=O)c2cccnc2N2CCOCC2)sc1C 21416822 HFPRUARWEGCBEJ-UHFFFAOYSA-N 318.402 2.244 0 40 DEAB CN(Cc1csc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 26919904 HMBWXEWOFJBMNX-AWEZNQCLSA-N 322.455 2.429 0 40 DEAB O=C1CCc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)ccc2N1 27057444 XUTKPUJHYYVKCU-OLZOCXBDSA-N 314.341 2.177 0 40 DEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1cccnc1 245060693 PWLVJEKDJIWTQV-HDJSIYSDSA-N 316.336 2.131 0 40 DEAB Cc1ncnc(N2CCN(c3nc4ccccc4[nH]3)CC2)c1F 1775974179 CLOLRAWDKCUZFG-UHFFFAOYSA-N 312.352 2.127 0 40 DEAB CCOc1ccc2nc(NC(=O)c3cc(O)ncn3)sc2c1 245171776 XUQKUIJDOCFYGW-UHFFFAOYSA-N 316.342 2.443 0 40 DEAB C[C@@H](Sc1nnc(CCC(N)=O)n1C)c1ccc(F)cc1 40464756 RVLLVOASCOWMFB-SECBINFHSA-N 308.382 2.225 0 40 DEAB Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2 308662 XHSMDAPVFNZXCF-UHFFFAOYSA-N 319.382 2.245 0 40 DEAB Cc1ccc(N2CCC[C@H](NCc3nc(C)c(C)o3)C2)nn1 69919678 BACFTRJUKCSYLW-AWEZNQCLSA-N 301.394 2.148 0 40 DEAB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(C[C@H]2CCCCO2)C1=O 21736726 WAHLZCKCSUMYKX-BZNIZROVSA-N 324.327 2.301 0 40 DEAB O=C(NC[C@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 4535507 HRUVRPLWNYUMNF-LLVKDONJSA-N 317.172 2.227 0 40 DEAB CC[S@](=NS(=O)(=O)c1ccc(C)cc1)c1cccc[n+]1[O-] 6017633 AMHTWDFZMDXFLX-HXUWFJFHSA-N 324.427 2.198 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccco2)CC1 71835173 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O=C(Nc1ccc(-n2ccnc2)nc1)c1cccc2cn[nH]c12 25011743 TTYLITXGOKBYHS-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB Cc1csc(N2CCN(Cc3noc(C(C)(C)C)n3)CC2)n1 47888663 QDNCXVLNWRSKDW-UHFFFAOYSA-N 321.450 2.454 0 40 DEAB O=C(COC(=O)Cc1ccsc1)Nc1ccc2c(c1)OCO2 3293700 SFIOLJZIGDCSNR-UHFFFAOYSA-N 319.338 2.201 0 40 DEAB CN(C(=O)c1ccsc1)[C@H]1CCCC[C@H]1S(C)(=O)=O 76501765 LGUFLCPWMJQLGD-NWDGAFQWSA-N 301.433 2.176 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1cccc(C(F)(F)F)c1 1506699 XTGGDLDPAOJKDH-UHFFFAOYSA-N 311.219 2.446 0 40 DEAB C[C@@H]1CN(C(=O)[C@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1N(C)C 107323106 FQXBPCJXDRBUJY-RIEGTJTDSA-N 308.809 2.052 0 40 DEAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCC[C@H](C(=O)O)C1 35105645 WKHDPFOTIHCPEB-XHDPSFHLSA-N 316.357 2.399 0 40 DEAB O=C(O)[C@H]1CCCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 35296947 CKHVBEZANSQHMP-NSHDSACASA-N 311.765 2.408 0 40 DEAB CN(CCOc1ccc(Cl)cc1)C(=O)c1ccc[nH]c1=O 57287836 GSLIVNHFSRNEPI-UHFFFAOYSA-N 306.749 2.179 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCCC2)nc1 48084662 MVOYBYNTSATIBA-CYBMUJFWSA-N 314.393 2.089 0 40 DEAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8780305 PXYKJQADMALPOR-VIFPVBQESA-N 314.370 2.371 0 40 DEAB C[C@H]1CN(c2ccc(C(=O)NCc3ccoc3)cn2)C[C@H](C)O1 48250555 PUXGLEQNHFOSNG-STQMWFEESA-N 315.373 2.218 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(N2CCNC2=O)cc1 44913043 OYCKNXXFGLHUBG-LBPRGKRZSA-N 313.357 2.170 0 40 DEAB Cc1nc2ccccc2n1CCCNC(=O)c1ncccc1O 58309206 WLRDDVNLTDYKNZ-UHFFFAOYSA-N 310.357 2.265 0 40 DEAB COc1ccccc1OC[C@@H](C)NCc1c(C)nn(C)c1OC 58420551 KZVZEHVMNSDSOK-GFCCVEGCSA-N 319.405 2.303 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](c1cccs1)N(C)C 58405015 XKHDMHKAUHDSOB-AWEZNQCLSA-N 321.494 2.249 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C[C@H](C)O1 28654561 LDAPYMAKVFEGNH-QWRGUYRKSA-N 320.414 2.370 0 40 DEAB COCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 12769004 SOCMJWAJSJCPLR-UHFFFAOYSA-N 323.349 2.493 0 40 DEAB CCc1ccc(CN(C)[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 12756494 QPLOOFUUDWDADP-GFCCVEGCSA-N 314.437 2.275 0 40 DEAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 3410364 FQPQBYQPTGBKAM-FZMZJTMJSA-N 317.385 2.440 0 40 DEAB CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 18707132 NJSSBMIGTOOJMP-UHFFFAOYSA-N 316.382 2.396 0 40 DEAB O=C(CSc1nnc2[nH]c3ccccc3n12)N1CCCCC1 3599306 IDERDKFLISKOCZ-UHFFFAOYSA-N 315.402 2.315 0 40 DEAB Cc1ccc(-c2cc(C(=O)OCC(N)=O)c3ccccc3n2)o1 3509087 DNNIZZYTXXMVNY-UHFFFAOYSA-N 310.309 2.445 0 40 DEAB CCC[C@H](C)NC(=O)CN1CCN(c2ccccc2F)CC1 48614353 RFRGVBVDHCICNI-AWEZNQCLSA-N 307.413 2.253 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@@H](C(=O)O)C2)ccc1OC 13171018 LOTVLMJZLAZABN-GFCCVEGCSA-N 307.346 2.031 0 40 DEAB O=C(Nc1onc2c1CCCC2)[C@H]1COc2ccccc2O1 8976612 WJVKYRXOHPGZOV-CQSZACIVSA-N 300.314 2.332 0 40 DEAB O=C(NCc1ccccc1F)c1c(O)[nH]c2ccccc2c1=O 8971444 GJTBYNKBKGHPOF-UHFFFAOYSA-N 312.300 2.303 0 40 DEAB CCN(CC)C(=O)c1cccc(NC(=O)c2cnn(C)c2)c1 39984953 RBIIXTOOJTYZQU-UHFFFAOYSA-N 300.362 2.154 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1c(O)c2c([nH]c1=O)CCCC2 9066287 IVCLXERARPYMST-UHFFFAOYSA-N 320.295 2.490 0 40 DEAB O=C(CNC(=O)c1ccccc1F)OCc1ccc(F)cc1 6889465 YHDJRPMRLBWFQX-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB CC(C)(CNC(=O)CC(=O)NCC(F)(F)F)c1cccs1 96000714 RPIHUWUYWDNLAH-UHFFFAOYSA-N 322.352 2.211 0 40 DEAB COC(=O)/C(=C/c1ccc(F)c(Br)c1)NC(C)=O 96179470 CYEQQMZMNKUXNL-WDZFZDKYSA-N 316.126 2.238 0 40 DEAB CC(C)n1nnnc1S[C@@H](C)C(=O)NCCc1ccccc1 16453684 NHDAAAAMFYALIR-LBPRGKRZSA-N 319.434 2.094 0 40 DEAB CC[C@@](C)(NC(=O)CCC(=O)c1ccc(C)cc1)C(=O)OC 69374262 ZNTWJAKOBWVWCR-QGZVFWFLSA-N 305.374 2.416 0 40 DEAB CCN(CC)C(=O)[C@H](C)Sc1nc(-c2ccccn2)n[nH]1 96409185 FCDUHCVLPKTUFH-JTQLQIEISA-N 305.407 2.216 0 40 DEAB Cc1cnn(CCC(=O)Nc2cnc(-c3cccc(O)c3)nc2)c1 69539007 NTFGDJVHKFSMDM-UHFFFAOYSA-N 323.356 2.383 0 40 DEAB O=C(COCc1ccccc1Cl)NC[C@@H]1CCN(C2CC2)C1 69531548 UTKJHJDXYPRNJW-ZDUSSCGKSA-N 322.836 2.457 0 40 DEAB C[C@H](NC(=O)NCc1ccccc1-n1cccn1)c1cnn(C)c1 96439539 MFMMDWHDHWLWNS-ZDUSSCGKSA-N 324.388 2.166 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 17324366 ZOZMHCIXJFOOMA-CHWSQXEVSA-N 302.374 2.063 0 40 DEAB CCc1nc2n(n1)C[C@H](NC/C=C/c1ccccc1OC)CC2 69621206 FBNOCAQSFRWGGG-PMGBHYCQSA-N 312.417 2.467 0 40 DEAB COCCc1noc([C@H]2CC(c3cc(F)ccc3F)=NO2)n1 83911958 LIVQYRGEMYDOAB-GFCCVEGCSA-N 309.272 2.402 0 40 DEAB Cc1n[nH]c(C)c1CNC[C@@H](O)CO[C@@H](C)c1ccccc1 97160002 SZVMYWKQCWVBBN-GOEBONIOSA-N 303.406 2.255 0 40 DEAB O=S(=O)(CCO)Cc1ccc(Br)cc1Cl 79068902 FEWQOXYRTPGCJT-UHFFFAOYSA-N 313.600 2.010 0 40 DEAB Cn1cc(NC(=O)C[C@@H]2CCOc3ccccc32)cc1C(N)=O 95398394 KMILFPYHUWQTPJ-NSHDSACASA-N 313.357 2.019 0 40 DEAB C[C@H](NC(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O)C1CCC1 95440366 DNAOCIAWUWHNSX-ONGXEEELSA-N 321.343 2.028 0 40 DEAB CCN(C(=O)NCCN1CCOC[C@@H]1C)c1ccccc1C 95948543 WUDYJUINUGDSLS-HNNXBMFYSA-N 305.422 2.252 0 40 DEAB C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)Cn1ccnn1 89335975 GMYPJJOPZLYDDJ-SECBINFHSA-N 313.188 2.332 0 40 DEAB Cc1ccc(Cl)c2c1[C@]1(NC(=O)c3cccnc3N1)C(=O)N2 89626898 RZIGCPCLUOCWBH-HNNXBMFYSA-N 314.732 2.004 0 40 DEAB C[C@H](c1ccccc1)[C@@H](NCc1ncccc1Cl)C(N)=O 528510320 WZECQBDXGNEPIX-IAQYHMDHSA-N 303.793 2.482 0 40 DEAB O=C1CCCc2c1cnc1nc(NCc3ccco3)[nH]c(=O)c21 38829525 XVSWIYKDRAJVSC-UHFFFAOYSA-N 310.313 2.042 0 40 DEAB COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(F)cn1 183265037 BQKVWIXFIOYOSM-LBPRGKRZSA-N 316.332 2.425 0 40 DEAB NC(=O)[C@@H]1CCCN(Cc2cccc(CNc3ccccn3)c2)C1 78714228 HBKHEEPGOPDHEE-QGZVFWFLSA-N 324.428 2.391 0 40 DEAB O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 524741995 PGTVRCJFXZWESI-AEGPPILISA-N 316.401 2.207 0 40 DEAB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1COCCO1 194609398 ZEVYIHNYNKUQRO-CZUORRHYSA-N 321.417 2.283 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H]1Cc2ccccc2CO1 225785670 HHYDQISPRORJCY-OAHLLOKOSA-N 300.358 2.092 0 40 DEAB COC(=O)c1cc(N)ccc1N1CCN(c2ccccc2)CC1 225488163 DGPSEQPBYOTTJX-UHFFFAOYSA-N 311.385 2.382 0 40 DEAB COC(=O)C[C@@H](c1ccncc1)c1c(O)ccc2nsnc12 96232375 STEIAKIVDQSMQZ-JTQLQIEISA-N 315.354 2.487 0 40 DEAB CCOC[C@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1 96188928 QTZWWFOROXILTF-ZDUSSCGKSA-N 306.435 2.317 0 40 DEAB O=C1CCCN1Cc1ncn2c1CN(Cc1ccco1)CCC2 96259360 HRMKNGRRJLZEQM-UHFFFAOYSA-N 314.389 2.004 0 40 DEAB O=C(N[C@@H]1CCCOc2c(F)cccc21)N1CCC[C@H]1CO 97234658 OKNJOCWJWLSYDF-SMDDNHRTSA-N 308.353 2.206 0 40 DEAB CN(Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H]2CCCN2)CC1 96499767 IHCMFRXCKNHPIP-ROUUACIJSA-N 315.461 2.252 0 40 DEAB CC(C)CN1CCC2(CCN(CC3CCOCC3)CC2)C1=O 96046778 PLDOBISWFSDZEE-UHFFFAOYSA-N 308.466 2.384 0 40 DEAB O=C(c1ccco1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1 96073900 VDGBSCIMJKXEMT-CJNGLKHVSA-N 301.346 2.113 0 40 DEAB CC[C@@H]([C@H](N)c1ccc(Br)cc1)S(C)(=O)=O 96524859 CMAONDQEWJWNJQ-WDEREUQCSA-N 306.225 2.272 0 40 DEAB CONC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 96484396 QQNFJUXJFAWURL-NEPJUHHUSA-N 301.749 2.085 0 40 DEAB CC(C)CN1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21 96038959 UWBPHNNJUFOTFV-FVQBIDKESA-N 303.406 2.156 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H]1C=CCCC1)CC2 97100875 ZRWFZENHCKYKJV-SOUVJXGZSA-N 308.422 2.057 0 40 DEAB O=S(=O)(NC[C@H]1COc2ccccc21)c1ccccc1F 341979553 OXCJJPBXKMQYID-NSHDSACASA-N 307.346 2.280 0 40 DEAB COCCC(=O)N1CCCC[C@H]1c1nnc(-c2ccncc2)o1 257257058 KNXKSELHOMEGOM-ZDUSSCGKSA-N 316.361 2.222 0 40 DEAB COc1cccc(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1 257257356 KPESPXGXSKMVDE-WMZOPIPTSA-N 319.401 2.034 0 40 DEAB CN(C(=O)c1cnco1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257280280 OKHLOVKZVHLZTF-IIAWOOMASA-N 316.357 2.108 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cnc(O)c(Cl)c2)C1 257224905 FDWUCVXHQJIONM-SECBINFHSA-N 306.753 2.102 0 40 DEAB Nc1nccnc1C[C@H]1CCCN(C(=O)CC2CCCC2)C1 257297578 RHXOIBPNKBYIMV-CQSZACIVSA-N 302.422 2.420 0 40 DEAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)c1ccsc1 85560646 YRPBXXJXFBDLHQ-GFCCVEGCSA-N 305.355 2.330 0 40 DEAB CC[C@H](C)N1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 296975379 OWNSOSVTDKYXME-ZDUSSCGKSA-N 300.406 2.130 0 40 DEAB COc1cc(C(=O)NC[C@]2(C)CCCS2)cc(OC)c1O 390835668 URWXSBWAFUBVKF-HNNXBMFYSA-N 311.403 2.425 0 40 DEAB Cc1ccc(C)c2nc(O)c(CNC[C@H](O)COC(C)C)cc12 585292958 QFSMNAKGEFLXKX-HNNXBMFYSA-N 318.417 2.433 0 40 DEAB CC(C)n1cnc(S(=O)(=O)Nc2cc(F)cc(F)c2O)c1 585140481 FVDCHAYCIRGILK-UHFFFAOYSA-N 317.317 2.249 0 40 DEAB Cc1cccc(O[C@@H]2CCC[C@H](NC3CCN(C)CC3)[C@H]2O)c1 585288669 HCINABUXQXMRDD-IPMKNSEASA-N 318.461 2.340 0 40 DEAB O[C@@H]1[C@@H](CNc2ncccn2)CC[C@H]1Oc1ccc(F)cc1 585287238 VFBNVIXAPZMYBH-KCPJHIHWSA-N 303.337 2.246 0 40 DEAB Cc1nc(C(F)F)n(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 684840390 QPRBBJZGMHMHSQ-QTKMDUPCSA-N 312.364 2.465 0 40 DEAB CCCN(CC(F)(F)F)C(=O)c1ccc(-n2cnnn2)cc1 63851240 QRRTXYVKUFFISU-UHFFFAOYSA-N 313.283 2.077 0 40 DEAB COC(=O)CC1CCC(N2C(=O)c3ccccc3C2=O)CC1 5510751 MNDURUACMZURJK-UHFFFAOYSA-N 301.342 2.405 0 40 DEAB COC(=O)c1cc(C)sc1NC(=O)N1[C@H](C)COC[C@H]1C 17032488 MBFHBEROBZTTDS-RKDXNWHRSA-N 312.391 2.484 0 40 DEAB CC(C)C(=O)N1CCC[C@H](c2nnc(-c3cccnc3)o2)C1 19085550 LGGCJASUEAYBMY-ZDUSSCGKSA-N 300.362 2.494 0 40 DEAB CCCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 19936837 GTOOETLSLSWDHO-UHFFFAOYSA-N 312.391 2.083 0 40 DEAB Cc1noc(C)c1CCC(=O)N[C@H]1CCCc2c1cnn2C 24988834 FKYKJVLRMLAYGW-AWEZNQCLSA-N 302.378 2.151 0 40 DEAB CCN1CCN(CC(=O)N[C@@H](c2cccs2)C(C)C)CC1 29596876 ZZQUZIOUHQNTNY-MRXNPFEDSA-N 309.479 2.199 0 40 DEAB CC(=O)Nc1nc(C(=O)N2CCn3cccc3[C@H]2C)cs1 30868697 PFLRCWRYHTXYSG-SECBINFHSA-N 304.375 2.120 0 40 DEAB COc1cc(=O)n(C)cc1C(=O)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776009417 JTYKDSIDPUHIPX-KBPBESRZSA-N 314.385 2.251 0 40 DEAB CN(Cc1ccnn1C)C(=O)c1ccc(Br)cc1 28230048 CRJUOANUXMVLKT-UHFFFAOYSA-N 308.179 2.455 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@H]1N2Cc1nccs1)c1ccco1 503826813 IAQWVNXRYNLSTQ-GRYCIOLGSA-N 303.387 2.271 0 40 DEAB NC(=O)COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1 20112608 VVPKIDKNTAMBDU-GOSISDBHSA-N 321.380 2.267 0 40 DEAB biogenic CC[C@H](Oc1ccc(C(=O)NC)cc1)C(=O)Nc1cc(C)on1 40520311 QCZUZZLQUOSXBX-ZDUSSCGKSA-N 317.345 2.139 0 40 DEAB CCCC(=O)NC1CCN(Cc2nnc(-c3ccco3)o2)CC1 40540185 POBILIIOCBARHF-UHFFFAOYSA-N 318.377 2.210 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2c(C)nn(C)c2Cl)n1 69489473 KJUHNAJFNVXLDH-ZDUSSCGKSA-N 322.844 2.255 0 40 DEAB CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@](O)(C(F)(F)F)C1 479260 ZJRQKCXAEUXDPY-LLVKDONJSA-N 322.308 2.016 0 40 DEAB CC(=O)NCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 32721542 IEQUAJWAPWEUHR-UHFFFAOYSA-N 306.362 2.420 0 40 DEAB Cc1nc(C)c([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)s1 102263648 FZLSFXQBBIWDOC-ALQCUDPJSA-N 320.414 2.460 0 40 DEAB CCOC(=O)[C@@H]1CCCN(Cc2cc(C)c(C(=O)OC)o2)C1 46502223 USUIJBXDENFQQL-GFCCVEGCSA-N 309.362 2.150 0 40 DEAB C[C@H]1[C@@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccccc1 4020777 FVKZTBYVXUIROP-MXAVVETBSA-N 316.405 2.053 0 40 DEAB C[C@@H](c1ccccc1)n1cc(C(=O)NCc2ccccn2)nn1 4093359 OHRATARZZNZJER-ZDUSSCGKSA-N 307.357 2.212 0 40 DEAB CCOc1ccc(C(=O)Oc2cccc(-n3cnnn3)c2)cc1 21798382 JZQUNWRKBIFCKC-UHFFFAOYSA-N 310.313 2.280 0 40 DEAB COc1ccc(C(=O)N2CCN(c3ccc(O)cc3)CC2)cc1 6275005 XFHNFDWNLNQMOK-UHFFFAOYSA-N 312.369 2.363 0 40 DEAB NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 6471206 JDXRFRMRQMFQSG-UHFFFAOYSA-N 307.689 2.055 0 40 DEAB CCOCCCNC(=O)[C@@H](NC(=O)c1cccc(C)c1)C(C)C 21900057 RLVWUEDYEUZAOH-INIZCTEOSA-N 320.433 2.292 0 40 DEAB O=S(=O)(c1cccnc1)N1CCc2[nH]c3ccccc3c2C1 526362 ZZFUAINGWBBEPT-UHFFFAOYSA-N 313.382 2.310 0 40 DEAB biogenic O=S(=O)(N1CCCCCC1)N1CCc2sccc2C1 22413518 HROVVCSHDUZPQV-UHFFFAOYSA-N 300.449 2.227 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)O[C@@H](C)c2ccccc2F)c1C 97049142 XMVKJBXLYBDYAA-NSHDSACASA-N 304.321 2.454 0 40 DEAB Cc1nc2nc(SCC(=O)NC(C)(C)C)nn2c(C)c1C 42180083 IXMBHEJKELATPH-UHFFFAOYSA-N 307.423 2.056 0 40 DEAB CCCn1nc(C(=O)N[C@H](C)CCc2ccccc2)ccc1=O 22920810 TWTQODSWADBYDL-CQSZACIVSA-N 313.401 2.404 0 40 DEAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cn1 12542357 COAHUWKATZPSMA-UHFFFAOYSA-N 311.385 2.361 0 40 DEAB Cc1csc([C@H]2CCCN(C(=O)CCCn3cncn3)C2)n1 72298772 YHBGFLCDEFCXTH-ZDUSSCGKSA-N 319.434 2.229 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N(C)Cc1ccc(F)cc1F 24441255 KXMRJHZOBITWBO-UHFFFAOYSA-N 316.329 2.390 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)o1 50447377 RWKLSINTZAQNDT-MMQHEFTJSA-N 302.374 2.118 0 40 DEAB Cc1cc(NC(=O)CN(C)C(=O)CSCCC(C)C)no1 56390245 CIXFYSJOSJAVLA-UHFFFAOYSA-N 313.423 2.159 0 40 DEAB Cn1nc(CC(=O)OC2CCCCC2)c2ccccc2c1=O 25720488 HZTXTVSWCUYLTA-UHFFFAOYSA-N 300.358 2.352 0 40 DEAB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)c1ccccc1 35192956 RZLBOWDQJKYGPZ-CQSZACIVSA-N 306.431 2.364 0 40 DEAB Cc1ccc2nc(C)c(C(=O)NCc3nnc4n3CCC4)cc2c1 48287236 URJBBMSJYGYNIA-UHFFFAOYSA-N 321.384 2.319 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1cc(-c2ccccc2)on1 97197921 ZSQPDSNQVFULKU-ZDUSSCGKSA-N 308.341 2.283 0 40 DEAB CCCS(=O)(=O)NC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 76018717 FZGZIWATFXAWRP-NEPJUHHUSA-N 301.795 2.300 0 40 DEAB CCNC(=O)C1(NC(=O)CCc2c(C)noc2C)CCCCC1 58289488 HCWFNCKLZGZNFE-UHFFFAOYSA-N 321.421 2.179 0 40 DEAB CC(C)(C)C(=O)Nc1ccc(F)c(/C(O)=N/S(C)(=O)=O)c1 76758198 UAIYLPRSEDRZJI-UHFFFAOYSA-N 316.354 2.075 0 40 DEAB COc1cc(C)c([C@@H](C)N2C[C@@H](C(=O)O)CC2=O)cc1OC 44979094 SBWLVKNHWXJDJX-MNOVXSKESA-N 307.346 2.006 0 40 DEAB CCn1cc(NC(=O)c2nn(-c3ccccc3)cc2OC)cn1 27920093 XHPOEKBVTYFGPC-UHFFFAOYSA-N 311.345 2.350 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN1CCOc1ccc(Cl)cc1 45096750 YJERUOFHTXKYPS-HNNXBMFYSA-N 308.809 2.462 0 40 DEAB O=C(OC1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 45264705 RWIASFHLGNTGSR-LLVKDONJSA-N 317.341 2.254 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)NCc1ccc(Cl)cc1 3564359 XADIUONAQLRISD-UHFFFAOYSA-N 322.748 2.418 0 40 DEAB CCc1nnsc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 12923466 KEBUEDPGJVZDOG-UHFFFAOYSA-N 304.375 2.055 0 40 DEAB Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cn1 13009359 MHOILKWLEJDWMP-UHFFFAOYSA-N 301.321 2.240 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C2 69615169 WJOFPPOOSNBYSZ-DOMZBBRYSA-N 302.422 2.421 0 40 DEAB NC(=O)CC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 49392754 LZHLYTMDECAHKD-UHFFFAOYSA-N 308.809 2.387 0 40 DEAB CC(C)(C)n1c(NC(=O)[C@@H]2CCC(=O)N2)nc2ccccc21 69744137 HHKXONRWWRDBIM-NSHDSACASA-N 300.362 2.008 0 40 DEAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cccc2c1OCCO2 69744187 HRYMSRJZYKWWEN-UHFFFAOYSA-N 322.324 2.495 0 40 DEAB O=C(NCCCNc1ccccc1)NCCCn1ccnc1 65575480 NOIWDLJEEDNXDM-UHFFFAOYSA-N 301.394 2.075 0 40 DEAB Cc1cc(C)c(CNC(=O)N(C)Cc2ccccc2F)c(=O)[nH]1 65553411 QCCSHLSKHHCZIE-UHFFFAOYSA-N 317.364 2.472 0 40 DEAB CC(C)Oc1ccc(C(=O)NCC(=O)N[C@H](C)C2CC2)cc1 18208149 OHVGEYPUDWFLIP-GFCCVEGCSA-N 304.390 2.118 0 40 DEAB CNC[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 71143447 CJGNFSGBEUOJIH-LBPRGKRZSA-N 311.223 2.060 0 40 DEAB COCc1nc2n(n1)C[C@H](N[C@@H](C)c1sccc1C)CC2 90396440 NUHXXUQYLXGGAL-NWDGAFQWSA-N 306.435 2.460 0 40 DEAB O=C(NCC1(c2ccc(F)cc2F)CC1)N[C@@H]1C=C[C@H](CO)C1 90601581 JKKUQKIPACAPOM-WCQYABFASA-N 322.355 2.233 0 40 DEAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cnn(-c2ncccn2)c1 81082702 HDWOYDYSVXMDJW-NSHDSACASA-N 312.333 2.480 0 40 DEAB CN(C)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 8231797 JCNGLBPLGUZQLK-UHFFFAOYSA-N 302.403 2.325 0 40 DEAB COC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 69351766 XUQJMYRRAZIINM-IUCAKERBSA-N 319.279 2.150 0 40 DEAB CCN1CCC[C@@H](CNC(=O)NCc2cc(F)cc(OC)c2)C1 94058602 KPONRHPMDJKUBR-ZDUSSCGKSA-N 323.412 2.365 0 40 DEAB CCCCc1ccc(C(=O)O[C@@H](C)C(=O)N2CCNC2=O)cc1 9502100 TUMALIXMKNTHHX-LBPRGKRZSA-N 318.373 2.126 0 40 DEAB C[C@@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)Cc1ccccc1 78757600 VKKXBERPLVBBPC-CZUORRHYSA-N 317.360 2.313 0 40 DEAB Cc1cccc(C2(C(=O)NC[C@@H](C)CN3CCCC3=O)CC2)c1 71833119 HLTBKGWQMKPSCK-OAHLLOKOSA-N 314.429 2.401 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)[nH]n1 71869740 ADLJIIHEZWORRM-CQSZACIVSA-N 301.394 2.172 0 40 DEAB O=C(c1ccc[nH]c1=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71820012 UPWODQABINXFAA-AWEZNQCLSA-N 318.760 2.242 0 40 DEAB CCc1cccc(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)c1O 72311841 BJYSTSSOLPSVNI-KBPBESRZSA-N 320.433 2.184 0 40 DEAB COc1ccc(CC(=O)OCC(=O)c2ccc[nH]2)cc1OC 9602221 FFYAYMGYMBPFEZ-UHFFFAOYSA-N 303.314 2.001 0 40 DEAB CS(=O)(=O)CCNC(=O)N1CCC[C@@H]1CC1CCCCC1 83984662 HRSQXRXBDLJPIL-CQSZACIVSA-N 316.467 2.175 0 40 DEAB O=C(Cc1noc(-c2cccc3cn[nH]c23)n1)NC1CCCC1 84494028 KQCWHWWMIBTTEQ-UHFFFAOYSA-N 311.345 2.214 0 40 DEAB OCCCc1nc(-c2cn(-c3ccc(F)cc3)nn2)cs1 72914465 GXAHLGMFWYEJSB-UHFFFAOYSA-N 304.350 2.455 0 40 DEAB CN(C(=O)C1CC1)[C@H](C(=O)O)c1cccc(Br)c1 84749111 NJYMRMSKZYJUNC-NSHDSACASA-N 312.163 2.443 0 40 DEAB CC1(C)CN(C(=O)c2cccc3ncccc23)CC[S@]1=O 88293231 DQZBJAOLPJZPDI-NRFANRHFSA-N 302.399 2.218 0 40 DEAB Ic1cnn(CCO[C@H]2CCCCO2)c1 95930210 HVRQFISDBJZTGY-JTQLQIEISA-N 322.146 2.031 0 40 DEAB Cc1noc(COCC(=O)N(CC(F)(F)F)C2CCCC2)n1 75094317 IYANSEMIEJESSP-UHFFFAOYSA-N 321.299 2.228 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)[C@@H]2SCCc3ccccc32)CC[S@@]1=O 110630089 CLDODWKJFHCFIV-DZTGLDLYSA-N 323.483 2.385 0 40 DEAB O=C1N(CC2CC2)C[C@@]2(F)CN(C[C@H]3C[C@@H]4C=C[C@H]3C4)C[C@@]12F 306135956 PFDVGJLAOJWWHE-DTYCBIMDSA-N 322.399 2.183 0 40 DEAB CC[C@H](C)[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OC 7246903 VODHDHYEGBLGBP-XVQHWYGASA-N 311.403 2.164 0 40 DEAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217415540 YXRNTVAVTRBFLK-UHFFFAOYSA-N 314.407 2.284 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc(F)cc1 36003741 KHGZKIMUQLITFB-QAETUUGQSA-N 306.333 2.044 0 40 DEAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@H]1CCN(CC2CC2)C1 76981087 CBTYAHNGNQOIGX-BBRMVZONSA-N 302.422 2.268 0 40 DEAB COCCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 30864794 AHCXWKPOHHIINA-LLVKDONJSA-N 313.419 2.337 0 40 DEAB O=[S@](Cc1nnnn1-c1ccccc1)CC1CCCCC1 77477948 JKWCXKUJHMMORN-OAQYLSRUSA-N 304.419 2.491 0 40 DEAB Cc1nnc(Nc2cccc([C@H]3CCCN(CCO)C3)n2)s1 72383044 LPEVXYIWZHLLKQ-LBPRGKRZSA-N 319.434 2.157 0 40 DEAB CN([C@@H](C(=O)N1CCCCCC1)c1ccccc1)S(C)(=O)=O 224330140 HLYRCMQHLBFXBK-OAHLLOKOSA-N 324.446 2.022 0 40 DEAB Cc1ncsc1C(=O)N[C@H]1c2ccccc2CC[C@H]1CO 225390482 GGIONSVYYLCIRN-GXTWGEPZSA-N 302.399 2.477 0 40 DEAB CN(C(=O)CS(=O)(=O)c1ccccc1F)c1ccccc1 46702581 FFOYUAWRQNMJPI-UHFFFAOYSA-N 307.346 2.262 0 40 DEAB O=C(NCc1cnn2ccccc12)c1ccc2nsnc2c1 75162852 OVLXNFADGJLPHP-UHFFFAOYSA-N 309.354 2.269 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2)nn1 225427693 VJAJZOTWUIGPRN-MRXNPFEDSA-N 322.368 2.331 0 40 DEAB CC(C)c1csc(CNC(=O)c2cnc3c[nH]nc3c2)n1 1587893483 VYMGMYFCSRAHDW-UHFFFAOYSA-N 301.375 2.468 0 40 DEAB CCCn1cc(NC(=O)N2CCC(CC(=O)N(C)C)CC2)cn1 97237275 LYMZWCSDNGMQPX-UHFFFAOYSA-N 321.425 2.015 0 40 DEAB Cc1cc(F)c(C(=O)OCC2CCS(=O)(=O)CC2)cc1F 96483890 NFDPRHWIGPQPTR-UHFFFAOYSA-N 318.341 2.255 0 40 DEAB COC[C@@H]1CN(Cc2cccs2)Cc2nnn(CC3CC3)c21 96060878 QFWSVXFRFZIDLD-ZDUSSCGKSA-N 318.446 2.495 0 40 DEAB C[C@@H](CC(=O)N1CSC[C@H]1C(=O)NC(C)(C)C)n1cccc1 96408409 GTKOXJSARFQXBG-STQMWFEESA-N 323.462 2.255 0 40 DEAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccn1C)C2 96039354 OSYZYJLALBXBMR-WBVHZDCISA-N 306.406 2.073 0 40 DEAB CNC[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1Cl 97234995 MFKQZWKWBPQLCL-LLVKDONJSA-N 302.827 2.021 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)ccn1 96420818 JWUVXCORGAMATJ-KRWDZBQOSA-N 311.385 2.230 0 40 DEAB COCC[C@@H]1CCOC12CN(C(=O)COc1ccc(C)cc1)C2 248044327 WEIWJWMXHGHIMO-OAHLLOKOSA-N 319.401 2.028 0 40 DEAB COc1ccc([C@@H]2CN(C3CCN(C)CC3)CCN2C)cc1 257287151 POSXUUYXRCFIHE-SFHVURJKSA-N 303.450 2.078 0 40 DEAB Cc1nccc(C(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)n1 257250348 JMEDQMICWGIJIA-CYBMUJFWSA-N 322.372 2.076 0 40 DEAB CNC(=O)[C@@]1(C)CN(Cc2cc3ccccc3s2)CCO1 257230247 GBLOGVWXUAOPNE-MRXNPFEDSA-N 304.415 2.238 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cccc3ncccc23)[C@H]1O 257245595 IQGMAVONJGBPLV-BRWVUGGUSA-N 314.385 2.283 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 257293413 QPJMTRRIBFXOQN-LBPRGKRZSA-N 313.357 2.119 0 40 DEAB CCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(OC)cc1 257267817 MIXAMYSXUHSWQA-ZBFHGGJFSA-N 304.390 2.131 0 40 DEAB O=C(Nc1cc([C@H]2CCCO2)n[nH]1)C1CCN(C2CC2)CC1 252508810 XUPQUSABMIAKQD-CQSZACIVSA-N 304.394 2.074 0 40 DEAB CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 585100774 WEAYWSTWSSEAGD-CRAIPNDOSA-N 323.481 2.157 0 40 DEAB COc1cc(NC(=O)N[C@H]2CCC[C@@H](O)C2)cc(OC)c1OC 75156816 DMXDITIEDIBRLO-CMPLNLGQSA-N 324.377 2.137 0 40 DEAB O=C(Nc1cncnc1-n1cccn1)c1ccc2ncccc2c1 95991376 DXHONMXMTRRXGW-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB CC[C@H](C(=O)N1CCC(S(C)(=O)=O)CC1)c1ccccc1 96098176 OFKMKIXESIDUAX-HNNXBMFYSA-N 309.431 2.216 0 40 DEAB CCOC(=O)CN1C(=O)N2CCCN=C2c2ccc(Cl)cc21 19530522 LQGXCHJMQOPCAC-UHFFFAOYSA-N 321.764 2.295 0 40 DEAB CCOC(=O)[C@H](Cc1ccc(Br)cc1)NC(C)=O 19721204 PCDHXOGETAJDEL-LBPRGKRZSA-N 314.179 2.059 0 40 DEAB Cc1cc(C)c2ncc(C(=O)N(C)[C@H]3CCOC3)c(O)c2c1 164918541 BPFKVXRCYULTFU-LBPRGKRZSA-N 300.358 2.418 0 40 DEAB C[C@@H]1CN(C(=O)Cc2nnc(O)c3ccccc23)CCC1(F)F 571131793 ITNCGHWJDCCMTG-SNVBAGLBSA-N 321.327 2.382 0 40 DEAB COc1cc(OC)cc(-c2nnc(S[C@H]3CCOC3=O)o2)c1 4928392 FLMAVQDBSSNPCX-NSHDSACASA-N 322.342 2.161 0 40 DEAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ncn(C)c1Cl 27946061 UYPMWLGLTDNQRN-UHFFFAOYSA-N 317.773 2.033 0 40 DEAB Cn1nc(C2CCN(C3CCOCC3)CC2)c2cccnc21 2037835062 VKBXFYONLQWESL-UHFFFAOYSA-N 300.406 2.327 0 40 DEAB CC(C)/C=C/C(=O)N1CC[C@@H]2C[C@@]21C(=O)N1CCC(C)CC1 2056225409 SZELFQIFOPDIPX-WZYSVALVSA-N 304.434 2.448 0 40 DEAB O=C(N[C@@H]1CC(=O)N(c2ccccc2)C1)N1CCCCCC1 5122945 AIBSJPLQHRNUJA-CQSZACIVSA-N 301.390 2.378 0 40 DEAB COC(=O)c1ccc(-c2ccc(C(=O)OC)cc2N)c(N)c1 5586665 CQJDGQODCKARGV-UHFFFAOYSA-N 300.314 2.091 0 40 DEAB COc1ccccc1-c1nnc(NC(=O)c2cc(C)no2)o1 12422431 DLXFRNCAEGWNPG-UHFFFAOYSA-N 300.274 2.294 0 40 DEAB COC(=O)c1ccc(NC(=O)c2cccnc2N(C)C)s1 31712312 LJQRFHHIYIXIDS-UHFFFAOYSA-N 305.359 2.248 0 40 DEAB CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1C 101142839 ZXUGUDUGTMBHNG-XJNFMUPTSA-N 324.380 2.113 0 40 DEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1c[nH]nc1-c1ccccc1 101714197 SUUGJPWPBFXPPT-LLVKDONJSA-N 323.352 2.270 0 40 DEAB CCOC(=O)c1c(C)n(CCO)c2ccc(OC(C)=O)cc12 36700 VOQPLLQZMBDYGZ-UHFFFAOYSA-N 305.330 2.044 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(Cl)c2c(c1)OCO2 60567970 YNEDEAOQHSHDCB-STQMWFEESA-N 322.792 2.425 0 40 DEAB Cc1nc2ccc(C(=O)O[C@@H]3C[C@H](C)OC3=O)cc2nc1C 32741753 PJQCNYALAHONKP-RMLUDKJBSA-N 300.314 2.107 0 40 DEAB CCN(CC)CCn1cnc2c([nH]c3ccc(F)cc32)c1=O 4811854 VKUKIXYKVOPZPR-UHFFFAOYSA-N 302.353 2.359 0 40 DEAB CCOCC(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 96459189 SWQBTDZBAMOEGU-CQSZACIVSA-N 316.401 2.166 0 40 DEAB O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NCC1CCCCC1 102956462 XWJUJMWZGMMMRA-HUUCEWRRSA-N 318.417 2.024 0 40 DEAB CC(C)CO[C@H]1C[C@@H](NCC2CCS(=O)(=O)CC2)C1(C)C 97034803 XSUUWLSUVMPNPQ-CABCVRRESA-N 317.495 2.241 0 40 DEAB Cc1cn2nc(NC[C@H](C)N3C[C@H](C)O[C@H](C)C3)sc2n1 25501349 UIHCCCKHTLOENX-SDDRHHMPSA-N 309.439 2.009 0 40 DEAB C[C@H](SCC(=O)N(C)CC(=O)NC1CC1)c1ccccc1F 56261480 IPWPMGPUBOVXLU-NSHDSACASA-N 324.421 2.357 0 40 DEAB CC(C)c1ocnc1C[S@](=O)Cc1nsc(N(C)C)n1 97080234 YOYCTHYNENUMMU-HXUWFJFHSA-N 314.436 2.164 0 40 DEAB Nc1ccc2c(N3CCC[C@H](c4nccs4)C3)ncnc2n1 97047776 LJMOYURLUQFZQO-JTQLQIEISA-N 312.402 2.448 0 40 DEAB CC[C@@H](C)NC(=O)Cn1c(SC)nc2ccsc2c1=O 57504859 VCUMMIYFAZZAEQ-MRVPVSSYSA-N 311.432 2.095 0 40 DEAB CCCCC[C@@H]1C[C@](C)(C(=O)CNc2nncs2)OC1=O 1898711 LLAOUEGETGJRFK-QMTHXVAHSA-N 311.407 2.421 0 40 DEAB CCOC(=O)CCCNC(=O)CN(CC)c1ccc(F)cc1 57620589 ZLBKNXZWOYOFMA-UHFFFAOYSA-N 310.369 2.112 0 40 DEAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCCCN2CCCC2=O)o1 57787019 LETITNNPCSEKLF-DZGCQCFKSA-N 318.417 2.464 0 40 DEAB Cc1nc(SCC(=O)N2CCNC2=O)n(C2CCCC2)c1C 9594894 TZBLLVWEYJGAGU-UHFFFAOYSA-N 322.434 2.259 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)N(Cc2ccccn2)C2CC2)C1 48251767 CSAGDHLQAVWLOB-CYBMUJFWSA-N 309.435 2.023 0 40 DEAB COc1ccccc1C1(C(=O)N2C[C@@H](N(C)C)[C@H](C)C2)CC1 76050838 FNZSOHORXYKYBB-UKRRQHHQSA-N 302.418 2.135 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](CC(C)C)N(C)C 58161474 CBXRZBFZCUOWDV-OAHLLOKOSA-N 308.470 2.062 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N[C@@H](C(N)=O)c1ccccc1 10268474 CZQGRMVLLHUFPU-GOSISDBHSA-N 321.380 2.293 0 40 DEAB Cc1cc(NC(=O)NCc2ccncc2)ccc1C(=O)N(C)C 76020243 FNYHKOOASMJFGA-UHFFFAOYSA-N 312.373 2.414 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(N(C)C)c(F)c1 58342238 HGKJCAAWSXRFQP-UHFFFAOYSA-N 323.412 2.269 0 40 DEAB COc1ccc(CNC(=O)c2ccc(-n3cccn3)cc2)cn1 10991269 AQJIZRZOAJTZFD-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB COc1ccc(-c2noc(CNc3ccccc3C(N)=O)n2)cc1 10939578 LHYVEARFUSNBFH-UHFFFAOYSA-N 324.340 2.456 0 40 DEAB COc1ccc(CNC(=O)NCCCOc2ccccc2)cn1 45662255 VZFFSTIDJVKHTQ-UHFFFAOYSA-N 315.373 2.359 0 40 DEAB Cc1ccc(NC2CCN(C(=O)[C@@H](C)OCC3CC3)CC2)nn1 69918618 MCAMIOSROCOCMP-CYBMUJFWSA-N 318.421 2.003 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@@H](n3ccnc3)C2)cn1 69900077 DDDSXMHZHCREOB-CQSZACIVSA-N 300.362 2.154 0 40 DEAB CSC[C@H](C)NC(=O)NC[C@@H](O)c1c(F)cccc1F 72294057 RAVQEBROFGPMFH-GZMMTYOYSA-N 304.362 2.049 0 40 DEAB COc1ccc(Cl)cc1NCC(=O)N[C@H](C)[C@H]1CCCO1 63863104 CRDBGWFCULAZOW-ZWNOBZJWSA-N 312.797 2.444 0 40 DEAB Cc1cc2oc(=O)c3c(c2cc1OCc1nn[nH]n1)CCCC3 4283049 DDTOMQMRYLXSBF-UHFFFAOYSA-N 312.329 2.072 0 40 DEAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1cccnc1 4451585 AGJUKRLKJXCFHF-UHFFFAOYSA-N 303.749 2.298 0 40 DEAB Cc1cc2n(n1)C[C@H](CNC[C@@H]1COc3ccccc3C1)CN2 65517685 XPZAPOUUZWOCOT-HUUCEWRRSA-N 312.417 2.074 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)c1cnc2sccn2c1=O 6455838 FSHBMFPMLNKKDH-JTQLQIEISA-N 311.366 2.347 0 40 DEAB O=C(CNc1ncnc2sc3c(c12)CCC3)N1CCCC1 14332484 CGNCAZORHWORNQ-UHFFFAOYSA-N 302.403 2.214 0 40 DEAB Cc1ccc(CN2C[C@H](C(=O)NCc3cccnc3)CC2=O)cc1 6831141 NSHLSIJARVTRSP-QGZVFWFLSA-N 323.396 2.055 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)cc1 9154949 KXUBYPAGIOZUQJ-UHFFFAOYSA-N 321.340 2.478 0 40 DEAB NC(=O)c1ccn(-c2ccccc2NC(=O)CCc2ccco2)n1 72283518 DRGUUPNDOZBHDM-UHFFFAOYSA-N 324.340 2.136 0 40 DEAB CC[C@](NC(=O)c1cc(F)cc2cccnc12)(C(N)=O)C(C)C 96006560 QPDLOFARTMWDAN-QGZVFWFLSA-N 317.364 2.394 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccco3)CC2)o1 7985320 MNHCUEBUZODNHC-VOTSOKGWSA-N 314.341 2.179 0 40 DEAB O=C(NN1C(=O)c2ccccc2C1=O)c1ccc(Cl)s1 8344000 WNUNOOXGPZPJAC-UHFFFAOYSA-N 306.730 2.343 0 40 DEAB Cc1cnn(C[C@H](C)N[C@@H](C(=O)NC(C)C)c2ccccc2)c1 69624872 ZUYHFJZFQUKTGI-DOTOQJQBSA-N 314.433 2.436 0 40 DEAB CC(C)OCCOC[C@H](O)CN(C)Cc1nc2ccccc2o1 69621969 BUOFOLGBMZICBA-CQSZACIVSA-N 322.405 2.062 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCn1ccc2ccccc21 71829719 BREUNOXPDMLWIW-HIFRSBDPSA-N 313.401 2.144 0 40 DEAB CC1(c2nnc(-c3ccc(S(C)(=O)=O)cc3)o2)CCOCC1 71889922 HXZRBMGXVFLZEA-UHFFFAOYSA-N 322.386 2.208 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1cnn[nH]1)c1ccccc1 71888313 CJDBBHJNMWKSFL-MRXNPFEDSA-N 308.341 2.333 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCCn3ccnc3C)C2)no1 72232279 STTHHZCLSHZHQP-AWEZNQCLSA-N 317.393 2.069 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)N[C@@H]1CCc3nccn3C1)C2 97197628 GZOLKCPZUQFMGS-HIFRSBDPSA-N 313.426 2.340 0 40 DEAB Cc1nc(C)c(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)s1 78526635 KHHOJNWMFHUNOX-CYBMUJFWSA-N 322.430 2.452 0 40 DEAB O=C(CCn1cccn1)NC[C@@H](O)c1cc2ccccc2s1 95417062 MWMPJRDLKNKUDE-CYBMUJFWSA-N 315.398 2.338 0 40 DEAB C[C@H](NCc1ccc2c(c1)OCCO2)c1nnc2n1CCCC2 78880155 IHGDEXGIXSESPY-LBPRGKRZSA-N 314.389 2.236 0 40 DEAB O=C(CSc1ccccc1)N1CC[C@@](O)(C(F)(F)F)C1 98013046 ZKCOHKGVMINSSR-LBPRGKRZSA-N 305.321 2.304 0 40 DEAB COc1ccc([C@@H](C)C(=O)N2CCc3[nH]ncc3C2)cc1OC 79018104 ZDKIVIUFRHQJSH-LLVKDONJSA-N 315.373 2.115 0 40 DEAB C[C@H](NC[C@H]1CCOC1)c1cc(F)ccc1N1CCN(C)CC1 95966295 IPCUIUVGQKRVHP-LSDHHAIUSA-N 321.440 2.265 0 40 DEAB CC(C)n1nnnc1CN[C@@H](C)c1ccc(-n2cccn2)cc1 95985720 INWLXKLYOLXCFG-ZDUSSCGKSA-N 311.393 2.291 0 40 DEAB CC(C)[C@@H](NC1CCOCC1)C(=O)N[C@H](C)c1ccncc1 95979843 IAFXHIYNLPFGIM-CZUORRHYSA-N 305.422 2.052 0 40 DEAB COc1cccc([C@H](O)CNC(=O)COc2ccccc2F)c1 74559358 BBUQXYGZCCTSHV-OAHLLOKOSA-N 319.332 2.063 0 40 DEAB CCc1n[nH]c(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1 86170515 NTBABXNXVZCUPZ-UHFFFAOYSA-N 319.308 2.360 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1 89656301 FRIZCHLUIOEGRC-LLVKDONJSA-N 305.403 2.258 0 40 DEAB CCCc1ncc(C(=O)N2CCS[C@H]3COCC[C@H]32)s1 89960531 IFGKZUZTBCZZSA-PWSUYJOCSA-N 312.460 2.442 0 40 DEAB O=C(O)[C@H]1CS[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1 62712132 GOUZJTABMCCOGV-RKDXNWHRSA-N 320.197 2.221 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341584 GLFRSGMQCDVTRF-MRVPVSSYSA-N 304.799 2.240 0 40 DEAB COc1cc2nc(NN)n(C3CCCCC3)c(=O)c2cc1OC 408712633 CZJSEIMAHRFHAE-UHFFFAOYSA-N 318.377 2.205 0 40 DEAB O=S(=O)(c1ccccc1)N1CCC[C@@H](c2cnccn2)C1 72363871 SVYBJANKONOVDW-CYBMUJFWSA-N 303.387 2.045 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc3ccccn3c2)C1 76374114 OPTPFSAUQNIKTC-HIFRSBDPSA-N 320.414 2.025 0 40 DEAB O=C1N(c2ccc(F)cc2)Cc2nn(C3CCCC3)c(=O)n21 1547200906 AUGRDCULKABYJF-UHFFFAOYSA-N 302.309 2.287 0 40 DEAB O=C(NCCCn1cccn1)Nc1cnn(-c2ccccc2)c1 78031371 QHLOORKAKHSTNU-UHFFFAOYSA-N 310.361 2.281 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccccc1Cl 79042094 CSGYTPFYVAGWOK-JTQLQIEISA-N 303.811 2.235 0 40 DEAB O=C(NCc1ccn2ccnc2c1)NC1Cc2ccccc2C1 186710078 PPUOQRRPMNWAOR-UHFFFAOYSA-N 306.369 2.301 0 40 DEAB COc1ccc(CCCNC(=O)[C@H]2CCCN(C)C2)cc1OC 73082067 SRVDIOWUVPLEGF-HNNXBMFYSA-N 320.433 2.094 0 40 DEAB Cc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C 77929511 OEEYYHICCVXDAO-KRWDZBQOSA-N 306.406 2.237 0 40 DEAB CCc1noc([C@@H]2CCCCN2C(=O)c2cnn(CC)c2)n1 41122726 FEQXWMQWHHAWHN-LBPRGKRZSA-N 303.366 2.216 0 40 DEAB C/C=C/CCNC(=O)c1cccc(CN2CCN(C)CC2)c1 73726560 IXQRXOYIGFKXEA-ONEGZZNKSA-N 301.434 2.130 0 40 DEAB O=C(CN1CCC[C@H]1COc1ccccc1)NCC(F)(F)F 79090887 ILRHEWQJFWCKOW-LBPRGKRZSA-N 316.323 2.208 0 40 DEAB Cc1cc(Br)ccc1NC(=O)C(=O)NCC(C)C 42646243 JRMWTGXSWYAROX-UHFFFAOYSA-N 313.195 2.468 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1nccs1)O2 40805202 NHCURXIMZJFKBX-AWEZNQCLSA-N 303.343 2.180 0 40 DEAB CN(C)c1ncc(NC(=O)Nc2cccc(F)c2)c(N(C)C)n1 224140788 PIQIEWARFUVTOH-UHFFFAOYSA-N 318.356 2.392 0 40 DEAB O=C1N(c2ccccn2)C[C@H]2CN(Cc3ccccc3)CCN12 85436154 ULYLPVCFSJSDCZ-MRXNPFEDSA-N 308.385 2.208 0 40 DEAB biogenic,in-vitro C[C@@H]1OCC[C@@H]1N[C@H](Cc1ccccc1)C(=O)N1CCCCC1 225545004 NQLOOWBKEMMBMV-RYQLBKOJSA-N 316.445 2.377 0 40 DEAB C[C@H]1CN(C(=O)CCCc2ccc(F)cc2)C[C@@H](C)N1CCO 576121861 OUHVTBANSXVKFC-GASCZTMLSA-N 322.424 2.062 0 40 DEAB CCN1CCC[C@@H](CNC(=O)c2ccc3c(c2)N(C)CC3)C1 97097249 WTLKQRYTHASPOY-AWEZNQCLSA-N 301.434 2.141 0 40 DEAB O=C(NCc1nc(C(=O)O)cs1)c1ccc2c(c1)CCC2 90932783 SGVUTKYFKJDPQZ-UHFFFAOYSA-N 302.355 2.260 0 40 DEAB CC(C)N(CC(C)(C)O)C(=O)Nc1cnn(CC(F)(F)F)c1 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Cc1cn(C)c([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 257227068 FNMPGCXLEYRYBH-CYBMUJFWSA-N 302.378 2.353 0 40 DEAB Cc1cncc(C2CCN(Cc3cnc(N(C)C)nc3)CC2)n1 257282139 OSLVXTMNRGVEAU-UHFFFAOYSA-N 312.421 2.021 0 40 DEAB Cc1cnccc1C(=O)N1CC[C@@](O)(COc2ccccc2)C1 585275319 AKMLQEQNVMEYAV-SFHVURJKSA-N 312.369 2.046 0 40 DEAB Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)c(=O)[nH]1 75120231 RVCBRIVANNTXQM-UHFFFAOYSA-N 300.333 2.284 0 40 DEAB Cc1cc(OC[C@H]2CCCN(Cc3nnc(C)o3)C2)ccn1 1776000816 LJMNWLXNRZIHEO-AWEZNQCLSA-N 302.378 2.372 0 40 DEAB COCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 5511748 ZYTDJQJZULYYRF-UHFFFAOYSA-N 314.341 2.180 0 40 DEAB Cc1occc1-c1nn(CC(=O)N(C(C)C)C(C)C)c(=O)o1 12143010 PAHMUKNYZZVSTG-UHFFFAOYSA-N 307.350 2.050 0 40 DEAB CC(C)C(=O)NC1CCC2(CC1)CNC(=O)c1ccccc1O2 19086235 XFUZBRIPLZOQTH-UHFFFAOYSA-N 316.401 2.262 0 40 DEAB Cc1cccc(C2=N/C(=C/c3ccc4c(c3)O[C@@H](O)O4)C(=O)O2)c1 1735631 GQVGOPDNRYSKME-RORWEDLISA-N 323.304 2.387 0 40 DEAB CS(=O)(=O)c1nc2ccccc2n1CC(=O)c1ccccc1 10721457 YQLSDFPWNUECJW-UHFFFAOYSA-N 314.366 2.323 0 40 DEAB CCc1cc(N2CCN(c3ncc(Cl)cn3)CC2)nc(C)n1 1888842926 IQGOKVAIZYXREE-UHFFFAOYSA-N 318.812 2.117 0 40 DEAB Cc1nnc(CN2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)o1 2086923670 POLBGCAYPIZVJO-NSHDSACASA-N 322.359 2.363 0 40 DEAB COC(=O)Cn1/c(=N/C(=O)C(C)(C)C)sc2cccc(F)c21 4191756 FUZRKCOBTDNVGC-VKAVYKQESA-N 324.377 2.488 0 40 DEAB CCC(CC)CN[C@@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055732420 KNSDMXHSTCBRIJ-HUUCEWRRSA-N 321.465 2.124 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)N1CCc2ccccc21 101286347 SAUZXUNTWRNGJU-CDSWZMAWSA-N 309.365 2.345 0 40 DEAB COc1ccc(Nc2nc(N)nc([C@@H]3CCCCC3=O)n2)cc1 299002 UZOMODYTRLLXFZ-GFCCVEGCSA-N 313.361 2.433 0 40 DEAB O=C(O)CCC(=O)Nc1ccccc1I 353606 DSZORGXQBKLUHE-UHFFFAOYSA-N 319.098 2.095 0 40 DEAB O=C1NCCN1C1CCN(CCCOc2ccc(F)cc2)CC1 52216406 CBDNCWJJEPPPKD-UHFFFAOYSA-N 321.396 2.084 0 40 DEAB COc1cccc(CN(C)C(=O)CNC(=O)c2ccccc2)c1 46469952 YTBRUGXWNIJHPN-UHFFFAOYSA-N 312.369 2.084 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCN1CCC(N2CCN(C)C2=O)CC1 75604155 DDSYPGZCOPUMJA-WBVHZDCISA-N 323.481 2.414 0 40 DEAB CCOC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 1571761 JWBKEPMETIGPCY-UHFFFAOYSA-N 308.315 2.121 0 40 DEAB C[C@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(C)(C)O1 69737801 ORDKPGKWDFXFBH-AWEZNQCLSA-N 318.417 2.163 0 40 DEAB O=C(NCc1ccnc(OCc2ccccc2)c1)[C@H]1CCCO1 32931026 WOMLYGMGDMXNQM-MRXNPFEDSA-N 312.369 2.456 0 40 DEAB O=C(N/C(=C/c1ccco1)C(=O)N1CCCC1)c1ccco1 468457 KRIUIXGFXPVZEN-ACCUITESSA-N 300.314 2.266 0 40 DEAB CCOCCN1CCN(C(=O)Nc2ccncc2C)C[C@H]1CC 97104133 PZHPQXVNNPYSNE-OAHLLOKOSA-N 320.437 2.355 0 40 DEAB CNC(=O)c1cccc(CN2CCC[C@@H]2c2noc(C)n2)c1 75611813 AXQAPACQPSSKTB-CQSZACIVSA-N 300.362 2.075 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3cccc4cccnc34)nn12 9646251 DLQQLGBANIVQIS-UHFFFAOYSA-N 304.313 2.233 0 40 DEAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc(F)c(Cl)c1)CCO2 107720229 OIWZGTNUANQPIS-MCIONIFRSA-N 313.756 2.498 0 40 DEAB CCc1ccc([C@H](COC)NC(=O)Nc2cccn(C)c2=O)o1 76070788 WZVSAZGRZBEKJO-ZDUSSCGKSA-N 319.361 2.050 0 40 DEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)N1C[C@@H](C)O[C@H](C)C1 34870781 ZUPHJPSHCDJBKZ-YRGRVCCFSA-N 324.446 2.138 0 40 DEAB CC(C)(C)c1nc2cc(NC(=O)[C@@H]3COCCO3)ccc2o1 25302281 GHHINFIQBHEBNP-ZDUSSCGKSA-N 304.346 2.479 0 40 DEAB CCS(=O)(=O)CC(=O)N[C@H](c1ccccc1)C1CCCC1 56095318 CYGJHJVGSYHUKA-MRXNPFEDSA-N 309.431 2.469 0 40 DEAB CCCCc1nc(C)c(C(=O)N2CCC[C@@H](C(N)=O)C2)s1 56967585 JDNXVYKYTRSJTA-LLVKDONJSA-N 309.435 2.132 0 40 DEAB COc1ccc([C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C2CC2)cc1 44403506 KANBLQFJAHBCEF-RHSMWYFYSA-N 316.401 2.131 0 40 DEAB C[C@H](CN(Cc1ccccc1)C(=O)c1cccn1C)C(=O)O 97017837 DHUSCEIZVSMNFB-CYBMUJFWSA-N 300.358 2.388 0 40 DEAB CC(C)NC(=O)NC(=O)COC(=O)/C=C/c1ccc(Cl)cc1 3397628 AYXAFUWCKPBSDJ-VMPITWQZSA-N 324.764 2.131 0 40 DEAB Cc1cnc(C(=O)OCc2cn3cc(Cl)ccc3n2)cn1 11480866 KMKXAQCDDGDETR-UHFFFAOYSA-N 302.721 2.443 0 40 DEAB Cc1cc(NC(=O)COC(=O)CSc2ccccc2)no1 3499532 FNUIEKZXQXASLI-UHFFFAOYSA-N 306.343 2.257 0 40 DEAB Cc1cc2occ(CC(=O)N3CCC(C(N)=O)CC3)c2cc1C 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CC1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 7459684 WGKQOURDQMMTTB-CQSZACIVSA-N 318.417 2.367 0 40 DEAB CC(C)Oc1ccccc1CN1CC(n2cc([C@H](C)O)nn2)C1 96000058 BGBQHGXPFOTRBC-ZDUSSCGKSA-N 316.405 2.176 0 40 DEAB CC(C)(C)c1nc(CS(=O)(=O)C[C@@H](O)c2ccccc2)no1 70005714 CNVKVRWMWCXGAN-GFCCVEGCSA-N 324.402 2.016 0 40 DEAB COc1cccc(C(N)=O)c1OCC(=O)Nc1cccc(C)c1 8395690 UHYOPPHBOMDCRF-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB CN(C)C(=O)CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69537176 XWIMIOAQMDVJOI-KRWDZBQOSA-N 318.417 2.281 0 40 DEAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)s2)cc1 69572877 IHMHJICWPRRLBP-UHFFFAOYSA-N 310.400 2.217 0 40 DEAB Cc1n[nH]c(C)c1CNC[C@@H](c1cccs1)N1CCOCC1 97159306 HQBSYLDQONPOAI-HNNXBMFYSA-N 320.462 2.251 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCOC2)c(OC)c1 71832970 IBATXXXCULEJJQ-DOMZBBRYSA-N 305.374 2.404 0 40 DEAB Cc1nnc2n1C[C@@H](CNCC1=Cc3ccccc3OC1)CC2 71877326 YMWISDBCMYBKLQ-CQSZACIVSA-N 310.401 2.215 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C2CCC2)o1 83895835 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40 DEAB Cc1cc(C)n(-c2ccc(NC[C@@H]3CCCC[C@@H]3O)nn2)n1 77237609 UZUVVJZUOCINHT-KBPBESRZSA-N 301.394 2.242 0 40 DEAB O=C(C1CCC1)N1CCN(CCNc2ccc(Cl)cn2)CC1 78663071 LSZINHHOXQPIKE-UHFFFAOYSA-N 322.840 2.091 0 40 DEAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2ccncc2)n1 75170642 CYJSKXAXLVKMMX-UHFFFAOYSA-N 310.279 2.171 0 40 DEAB Cc1nc(N2CCOCC2)ccc1CNC(=O)OC(C)(C)C 72224592 SCYGZNVPBYFFPZ-UHFFFAOYSA-N 307.394 2.251 0 40 DEAB O=C(Cc1cccs1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 49026596 NJMDEGSGOOFYQM-QWHCGFSZSA-N 314.410 2.098 0 40 DEAB COc1ccccc1CC(=O)Nc1nc2c(s1)CN(C)CC2 40161668 ANGSJJIQSLDCDG-UHFFFAOYSA-N 317.414 2.321 0 40 DEAB NC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)c(Cl)c2)C1 45958279 KMZQNBXVDUHMHK-LLVKDONJSA-N 321.808 2.169 0 40 DEAB CC1(C)C[C@H](C(=O)N2CCC(c3nnc(O)o3)CC2)C(C)(C)O1 529275032 YUUVOHVLHXBVQQ-LLVKDONJSA-N 323.393 2.075 0 40 DEAB Cc1cccc(C)c1OCC(=O)Nc1nn2c(C)nnc2s1 41076416 VIEFDNXXFSABGE-UHFFFAOYSA-N 317.374 2.129 0 40 DEAB CC1=C[C@]2(Nc3cc(C(C)(C)C)ccc3O2)C(C(N)=O)=C(N)O1 40545360 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C[C@@H]1COC2(CCN(Cc3noc(-c4ccccc4)n3)CC2)O1 96414901 ZTSYCKLHLZLUMT-CYBMUJFWSA-N 315.373 2.464 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CO3)cc1 96158625 IFPVQPTWIGCLBM-INIZCTEOSA-N 302.418 2.320 0 40 DEAB Cc1ccc2c(n1)OCCN2C(=O)COc1ccccc1F 95460666 RWFJHOLEVXNWLC-UHFFFAOYSA-N 302.305 2.334 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccncc4)C[C@H]3O2)n1 96058194 RLXQQJZWSYBYCD-RRFJBIMHSA-N 300.362 2.125 0 40 DEAB C[C@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)N1CCSCC1 96485822 IVPRZPXHNCZSMH-GFCCVEGCSA-N 316.430 2.453 0 40 DEAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)Cc1cccc(OC)c1 97953679 AVAJXAXYNGRLAU-BQFCYCMXSA-N 319.401 2.033 0 40 DEAB Cc1nc(CN2CCC[C@H](C(=O)NCC(F)(F)F)C2)cs1 96441637 AIMJMIXQUSQFNJ-JTQLQIEISA-N 321.368 2.342 0 40 DEAB CC(C)(C)C[C@@H](NC(=O)NCC(=O)N1CCCC1)C(F)(F)F 96496764 HNNAOSSUKHMDAF-SNVBAGLBSA-N 323.359 2.275 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1[C@H]2CCC[C@@H]1COC2 90593895 RBRNFLKHGRGYTA-CCSSQEOUSA-N 301.342 2.208 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)CN(Cc1ccccn1)C2 96060113 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0 40 DEAB CN(c1ccccc1F)S(=O)(=O)c1ccc2c(c1)OCCO2 119956055 ZPHWYJNIBZHQGY-UHFFFAOYSA-N 323.345 2.422 0 40 DEAB Nc1c(C(=O)Nc2ccccc2F)nnn1Cc1ccccc1 4852130 QACMNIAHWKUNOM-UHFFFAOYSA-N 311.320 2.300 0 40 DEAB Cc1cc(OC[C@@H](O)CNC(C)(C)CO)cc(C)c1Cl 26781282 RVWSTWPWXLVXCP-LBPRGKRZSA-N 301.814 2.057 0 40 DEAB Cc1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 15007735 NGRDVPQFLMYLAS-ZDUSSCGKSA-N 315.398 2.439 0 40 DEAB COc1ccc(CNC(=O)[C@H](C)Sc2ncccn2)cc1 6912257 VXFHPKXZEOOOEV-NSHDSACASA-N 303.387 2.282 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C1CCC1 96010080 ZECNMESNZJYWOK-IUODEOHRSA-N 316.405 2.065 0 40 DEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)N1CCCCCC1 7124718 PARXZJZYMHFVOW-UHFFFAOYSA-N 321.421 2.034 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)o1 8377381 YDORBCISQYAEHO-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB Cc1noc([C@H](C)N2CCCC[C@H]2Cn2nc(C)nc2C)n1 69620747 WENURLXFCYIARA-HZMBPMFUSA-N 304.398 2.202 0 40 DEAB CC(=O)N(C)c1nc(CN2CCC[C@H]2c2cnn(C)c2)cs1 69871382 UKHURLKVZWFQHK-AWEZNQCLSA-N 319.434 2.196 0 40 DEAB COCC[C@H](C)NC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 69869442 OMKSVEMXXWMJCY-NSHDSACASA-N 317.393 2.431 0 40 DEAB C[C@H](O)CN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 69879490 OOOXHWMXFKWKLH-JTQLQIEISA-N 317.216 2.132 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)[nH]n1 71897892 UVPNBQORBZPZMH-LBPRGKRZSA-N 318.764 2.363 0 40 DEAB C[C@H](C(=O)N1CCC[C@H]1Cc1cccc(F)c1)N1CCOCC1 71874839 NJEOJBAESTUDGK-PBHICJAKSA-N 320.408 2.080 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H]2Cn2cccn2)cs1 71866647 PUBGLOGQTJPAFB-CYBMUJFWSA-N 304.419 2.136 0 40 DEAB CCc1sc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1C 83817509 FOBJNZRNOKIXBB-ZIAGYGMSSA-N 322.474 2.290 0 40 DEAB CN(C)C(=O)Cn1ccc2cc(NC(=O)N3CCCC3)ccc21 72057886 QNKXMWDMMBJHAQ-UHFFFAOYSA-N 314.389 2.357 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2 95400703 UKGHTZLQBRBSQZ-GJZGRUSLSA-N 322.405 2.190 0 40 DEAB O=C(NCc1ncccc1F)[C@@H]1CCCN(CC(F)(F)F)C1 95434364 KKOSLBZWARZKQY-SNVBAGLBSA-N 319.302 2.111 0 40 DEAB 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2.487 0 40 DEAB Cc1noc([C@H]2CCCCN2S(=O)(=O)c2cccs2)n1 41122712 ACQZAOJWEVBKFT-SNVBAGLBSA-N 313.404 2.355 0 40 DEAB COc1cc(C)ccc1OC(=O)[C@@H](C)Sc1nncn1C 45608439 LYNRBCKDFAFHRM-SNVBAGLBSA-N 307.375 2.218 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCCC2)C1 45958738 CGFUKOJZHDCICW-CYBMUJFWSA-N 302.374 2.203 0 40 DEAB CCC[C@H](C)NC(=S)Nc1ncc(C(=O)OCC)c(C)n1 225198119 HMJBFVJBZAUZSH-VIFPVBQESA-N 310.423 2.437 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2ccnc2)cc1 81700858 IXARMLPVCMEJOG-ROUUACIJSA-N 319.364 2.260 0 40 DEAB CSc1ccccc1NC(=O)c1nnn2cc(C)nc(O)c12 75163965 NSQUSWGFGFRDLT-UHFFFAOYSA-N 315.358 2.113 0 40 DEAB O=C(O)c1ccc(F)c2c1CN(CCOC[C@@H]1CCCO1)CC2 530169598 SIYVEUACXKXFMG-LBPRGKRZSA-N 323.364 2.078 0 40 DEAB COC[C@H](C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 199403408 BCKMNADMABHPHK-AWEZNQCLSA-N 320.433 2.058 0 40 DEAB CCO[C@@H]1C[C@@](O)(CNC(=O)/C=C/c2cncc(C)c2)C1(C)C 191714059 KEUIETOVZXHVAI-YOBDTOFLSA-N 318.417 2.086 0 40 DEAB CC(C)(C)n1cc(CNCc2ccc3c(c2)OCCCO3)nn1 190941512 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CCOc1ccccc1CNC(=O)NCC[C@@H](O)C(F)(F)F 96413301 JZDAOIJNZYZOFV-GFCCVEGCSA-N 320.311 2.198 0 40 DEAB O=C(CC1CC1)N1CCc2ncnc(-c3ccncc3)c2CC1 96255262 ZDUOXBWEAUCWFI-UHFFFAOYSA-N 308.385 2.266 0 40 DEAB CNc1cc([C@@H]2CCCN(C(=O)c3cnc(C)cn3)C2)ccn1 257285139 PFVAPMCLGXQGSD-CQSZACIVSA-N 311.389 2.242 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC[C@@H]([C@H](C)N)C2)sc1C 253369432 CNHCQEFDWTWTAF-CMPLNLGQSA-N 302.465 2.113 0 40 DEAB CC(C)COc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cn1 647696574 ORDXKVNPWDPBQC-NWDGAFQWSA-N 321.377 2.491 0 40 DEAB CC(C)[C@@H](Cn1ccnn1)NC(=O)Cc1c(F)cccc1Cl 575617226 UOZXNLJYLCDITB-CQSZACIVSA-N 324.787 2.454 0 40 DEAB Cc1ccc(C[C@@H]2CN(C(=O)c3ccno3)CC[C@@H]2O)cc1 585273931 GTSXJRZAGOIIQF-CABCVRRESA-N 300.358 2.049 0 40 DEAB Cc1ccc(O[C@@H]2CCC[C@H](CNCc3ncc[nH]3)[C@H]2O)cc1 585287275 WOBLKSJVHURVNG-QGPMSJSTSA-N 315.417 2.416 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(C(=O)c3ccon3)C2)c1 585268976 GGMOPYMEHFWTRF-QGZVFWFLSA-N 316.357 2.029 0 40 DEAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)c1 96459345 FQHQEEIYYKLVTI-GFCCVEGCSA-N 315.373 2.365 0 40 DEAB O=C(N[C@H](CO)c1ccccc1)c1ccncc1Br 97233057 NBWMGDYAWVVEEC-CYBMUJFWSA-N 321.174 2.308 0 40 DEAB Cc1cc(-c2cnc(C)nc2CN(C)C(=O)c2ccccn2)on1 12337687 ZSSNAVJCKVKUJI-UHFFFAOYSA-N 323.356 2.416 0 40 DEAB O=c1[nH]c2ccc(S(=O)(=O)NCCC3=CCCCC3)cc2o1 19936343 CXYKJFJXQBXRPK-UHFFFAOYSA-N 322.386 2.290 0 40 DEAB O=C(Cn1nnc(-c2ccccc2Cl)n1)N1CCCCCC1 4763594 GVFUOEDNDCKWGT-UHFFFAOYSA-N 319.796 2.396 0 40 DEAB Cc1cc(OC2CN(C(=O)CCc3c(C)noc3C)C2)ccn1 1889134506 ZPZPEFJLKJYEBN-UHFFFAOYSA-N 315.373 2.217 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3nnc(C(C)C)s3)C2)nc1 2087129914 URWYVCFFIGBAOS-SNVBAGLBSA-N 321.406 2.118 0 40 DEAB O=C(N1CC[C@@]2(C[C@H](Nc3ccccn3)CO2)C1)C1(F)CCC1 1565551890 LWTJHPUDAOAYHF-XJKSGUPXSA-N 319.380 2.146 0 40 DEAB CCOc1ccc(NC(=O)[C@@H](CC(=O)O)[C@@H]2CCCO2)cc1 141425 NUOVTMVEJZEPSN-KBPBESRZSA-N 307.346 2.294 0 40 DEAB Cc1cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)on1 13596862 UMVWAQAGOHGDSW-UHFFFAOYSA-N 314.750 2.049 0 40 DEAB CCSc1ccccc1C(=O)N1C[C@@H](OC)C[C@H]1C(=O)OC 225632067 AFWQXJBUUNLVTN-AAEUAGOBSA-N 323.414 2.201 0 40 DEAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1ccc(Cl)s1 75171838 OBRJZMIEEVESPK-MRVPVSSYSA-N 307.780 2.006 0 40 DEAB CCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cn1 27938335 HSYPJLFENSMARY-UHFFFAOYSA-N 302.353 2.005 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3ccoc3C)CC2)cs1 31259907 XNJJSGMITMNQKR-UHFFFAOYSA-N 305.403 2.311 0 40 DEAB Cc1nnc2n(CCOc3ccccc3)c3ccccc3n2c1=O 51325905 NZOCKSKSUMUQMK-UHFFFAOYSA-N 320.352 2.432 0 40 DEAB Cn1c(=O)n(C)c2cc(C[C@@H]3C(=O)Nc4ccccc43)ccc21 101660662 JRVVJVWWZUWTAZ-ZDUSSCGKSA-N 307.353 2.155 0 40 DEAB CCC1=NN(S(=O)(=O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 199858 JIBJXTTZOXYBQV-NSHDSACASA-N 322.308 2.098 0 40 DEAB CCc1nc([C@H]2CCCN2c2ncc(C(N)=O)cc2Cl)no1 75609846 PCNRQIFQUQLYTR-SNVBAGLBSA-N 321.768 2.121 0 40 DEAB Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(N)cc2c1=O 920413 FKCVALYNIHGNRH-UHFFFAOYSA-N 322.368 2.234 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@H](C(=O)O)c2ccccc2)cc1 1715411 ZOTXOPQAIYEKSR-HNNXBMFYSA-N 319.382 2.441 0 40 DEAB Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2)cc1 1764256 SNKLOEHVUMOKDD-UHFFFAOYSA-N 318.398 2.302 0 40 DEAB COc1cccc(C(=O)Nc2ccc(NC(N)=O)cc2)c1OC 32901851 ZXVPDDSUDPEZNV-UHFFFAOYSA-N 315.329 2.447 0 40 DEAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2N)cc1 4985004 NSHVFYQLBIRXFC-UHFFFAOYSA-N 309.329 2.110 0 40 DEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2cccs2)cc1 6204300 RYDBBOCVJACUGB-UHFFFAOYSA-N 317.366 2.212 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CC[C@H](C(N)=O)C1 71815195 ITUVKPSYUAEYLJ-AWEZNQCLSA-N 309.369 2.004 0 40 DEAB O=C(NCc1ccco1)c1cc(=O)c(OCc2ccccc2)c[nH]1 12168089 YZRNKYIRSDPVIP-UHFFFAOYSA-N 324.336 2.477 0 40 DEAB NC(=O)CN(C(=O)/C=C/c1nc2ccccc2o1)C1CCCC1 42092739 CHYQNTRENRGHSF-MDZDMXLPSA-N 313.357 2.098 0 40 DEAB CC(C)CN(C(=O)c1ccc(N(C)C)nc1)C1CCN(C)CC1 71841818 SJDVRCKGSUAMAU-UHFFFAOYSA-N 318.465 2.340 0 40 DEAB C[C@H](COc1ccc(F)cc1F)NC(=O)NC[C@@H]1CCCO1 55088207 JGAFGSDMWIWTDS-PWSUYJOCSA-N 314.332 2.210 0 40 DEAB CCOC(=O)c1cc2cc(C(=O)Nc3ccn(C)n3)ccc2[nH]1 24627957 CSCYNHWJKXVYDW-UHFFFAOYSA-N 312.329 2.330 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2ccc(F)cc2)CC1 57290082 CBPIBFMJAYAAPP-AWEZNQCLSA-N 319.424 2.395 0 40 DEAB CCCCC(=O)C[C@@H](c1ccccc1)c1c(O)[nH]c(=O)[nH]c1=O 59500874 FGTXXODHPALZKM-ZDUSSCGKSA-N 316.357 2.050 0 40 DEAB Cn1c(=S)c2nc(SCc3ccccn3)[nH]c2n(C)c1=O 101110989 IZZNPEZNABXZKO-UHFFFAOYSA-N 319.415 2.017 0 40 DEAB C[S@](=O)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1 44755527 OAXMGGDUVRAGPD-JOCHJYFZSA-N 316.338 2.111 0 40 DEAB C[C@@H](NC(=O)NCc1ccccn1)c1ccc2c(c1)OCCO2 44889822 AVAWVUIXMIQRHH-GFCCVEGCSA-N 313.357 2.413 0 40 DEAB O=C(NCc1cnn(-c2ccccc2)c1)NCc1ccccn1 44895121 POKWXJZSMMYCBR-UHFFFAOYSA-N 307.357 2.267 0 40 DEAB Cc1cccc(C)c1CN1CCC2(CC(NS(C)(=O)=O)C2)C1 108532785 IPVNBLLOFVMVGT-UHFFFAOYSA-N 322.474 2.207 0 40 DEAB CCOC(=O)N(C)CC(=O)N[C@H]1CCSc2ccccc21 48229498 DNGLKAOJIMMMFW-LBPRGKRZSA-N 308.403 2.428 0 40 DEAB CS[C@@H](C)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 48226674 ILOUYLBMWGVOHC-ZDUSSCGKSA-N 307.463 2.124 0 40 DEAB C[C@@H]1CN(C(=O)NCc2cc(Br)cs2)CCO1 44971355 KYVIYSKDGJPLES-MRVPVSSYSA-N 319.224 2.441 0 40 DEAB CONC(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1 10636015 UDXJFHCXURXXCA-UHFFFAOYSA-N 320.418 2.202 0 40 DEAB CCN1CCN([C@H](C)CNc2ncnc3sccc23)CC1 59389324 HFGNWSMIJIIPLJ-GFCCVEGCSA-N 305.451 2.129 0 40 DEAB Cc1ccc2nc3c(c(C(=O)O[C@@H](C)C(N)=O)c2c1)CCCC3 3417136 CIGIGNAUTOQKDW-NSHDSACASA-N 312.369 2.453 0 40 DEAB CC(C)[C@@H](NCCCNS(C)(=O)=O)c1ccc(F)cc1 49067072 HLHVILWJECYZAO-CQSZACIVSA-N 302.415 2.052 0 40 DEAB COc1cccc(OC)c1OC[C@H](C)CNC[C@@H]1CCCO1 4337769 ZFYZNUCKNAWSDJ-KGLIPLIRSA-N 309.406 2.487 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1S(C)(=O)=O 8939351 UHOKEYXSEWVVCW-GFCCVEGCSA-N 316.810 2.011 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 65477001 VFMOWTZIDIPPRP-YWNRKNDBSA-N 313.184 2.340 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN(Cc2ccccn2)C1 65503078 QXBACFIUTRZPQG-LBPRGKRZSA-N 302.403 2.389 0 40 DEAB CC(C)OCCCNC(=O)[C@@]1(N(C)C)CCc2ccccc21 65591399 XDWGRFHHTQCWFZ-GOSISDBHSA-N 304.434 2.321 0 40 DEAB CCn1c(S)nnc1[C@H](C)NC(=O)c1ccccc1OC 9096017 HIMGVHFCSZZGCN-VIFPVBQESA-N 306.391 2.086 0 40 DEAB CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)n2ncnc2N1 4694673 ALWLFZMUPJRSCA-CYBMUJFWSA-N 302.309 2.269 0 40 DEAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NN1CCOCC1 5670461 CYVNWLKGQMAAOV-DUXPYHPUSA-N 301.173 2.370 0 40 DEAB CC[C@@H](C)NC(=O)NC(=O)COc1ccc(F)c(Cl)c1 6786353 FOLWKPDZWNWQKJ-MRVPVSSYSA-N 302.733 2.482 0 40 DEAB O=C(COCc1ccccc1)NCc1n[nH]c(=S)n1C1CC1 66638180 GCXGSGBWODPZKV-UHFFFAOYSA-N 318.402 2.109 0 40 DEAB COc1ccc(/C=C/C(=O)NC(=S)NC(C)C)cc1OC 6883968 MIJAXGAWVHETGP-SOFGYWHQSA-N 308.403 2.116 0 40 DEAB O=C(NCc1cccnc1)NCc1ccc2c(c1)OCCCO2 66964217 GOCREJUWTFYBHT-UHFFFAOYSA-N 313.357 2.242 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1C[C@H]1c1cccc(F)c1 67434304 CGQVTXISJMMNSI-KBPBESRZSA-N 323.393 2.010 0 40 DEAB CCc1cccc(OCCN(C)c2ncnc3c2CCNC3)c1 67447395 XNLBAFNOEXYVBX-UHFFFAOYSA-N 312.417 2.200 0 40 DEAB CCCN1C=NS(=O)(=O)c2cc(C(=O)NCC(C)C)ccc21 15867482 OYYWQRRLIUETRO-UHFFFAOYSA-N 323.418 2.019 0 40 DEAB O=C(CCc1ccco1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16030544 JXACSEVZWOADEB-UONOGXRCSA-N 312.369 2.020 0 40 DEAB biogenic O=C(C[C@@H]1Sc2ccccc2NC1=O)NCc1ccncc1 7989310 QWHCSQQIWPLHTK-AWEZNQCLSA-N 313.382 2.201 0 40 DEAB Cc1cccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)n1 69350574 VVLGDSMJKARQBU-KRWDZBQOSA-N 323.396 2.484 0 40 DEAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 70173452 LHOCAUSNPDVUIH-ZJUUUORDSA-N 320.817 2.227 0 40 DEAB Cc1oncc1C(=O)N[C@H](CN1CCCC1=O)c1ccccc1 69568416 NLHKECIBZDAOBN-OAHLLOKOSA-N 313.357 2.077 0 40 DEAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)[C@@H](C)n1cccn1 69629499 FNCIOKIICZUBDG-VBQJREDUSA-N 312.417 2.442 0 40 DEAB Cc1occc1C(=O)N1CCC(N(C)c2cccnn2)CC1 69741892 XSLRODJXSBEBOR-UHFFFAOYSA-N 300.362 2.119 0 40 DEAB CCN1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O 72285980 XNFFIKZBINOYRH-RYUDHWBXSA-N 307.419 2.065 0 40 DEAB COc1cccc(-c2cc(NC(=O)Cc3ccn[nH]3)n(C)n2)c1 97230214 ITRUMQRPBASSBQ-UHFFFAOYSA-N 311.345 2.000 0 40 DEAB CC[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccncc1 72563371 RHEGGXBDJNHOBD-AWEZNQCLSA-N 323.360 2.330 0 40 DEAB CN(C)CCN(Cc1cccc(O)c1)C(=O)c1ccncc1F 95445878 AWNIMJJLAOWNFI-UHFFFAOYSA-N 317.364 2.130 0 40 DEAB CS(=O)(=O)CCC(=O)N1CCC(CCc2ccccc2)CC1 79720365 IZYUFHLGPKCKOH-UHFFFAOYSA-N 323.458 2.293 0 40 DEAB CN1CC[C@H](C(=O)N2CC(C)(C)[C@H]2c2ccccc2)CC1=O 95954690 UBVXJKGUKCUJDB-GOEBONIOSA-N 300.402 2.465 0 40 DEAB Cn1cc(Br)c(=O)c(NC(=O)CC(F)(F)F)c1 95997299 IWLIUQOSUTWCTQ-UHFFFAOYSA-N 313.073 2.039 0 40 DEAB COCCOc1ccccc1CNC[C@@H]1COC2(CCCC2)O1 95983811 JJQFXKRNIFRQTI-MRXNPFEDSA-N 321.417 2.487 0 40 DEAB COC(=O)C1(O)CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 95983022 LJZKIQJJSAPNQT-UHFFFAOYSA-N 319.401 2.124 0 40 DEAB Cc1noc(-c2cccnc2NCc2c(C)cc(C)[nH]c2=O)n1 89568564 PPLUMUVRPZVOCX-UHFFFAOYSA-N 311.345 2.357 0 40 DEAB CC1(C)CN(C(=O)C[C@H]2OCCc3ccccc32)CC[S@]1=O 89919607 UDIFAUHOORHEFB-QRQCRPRQSA-N 321.442 2.060 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2COCC1CCCC1 306129466 IECCIQCKHDPFAK-BMFZPTHFSA-N 307.434 2.467 0 40 DEAB C[C@H](C1CC1)n1cc(NC(=O)N2CCOCC(F)(F)C2)cn1 514755119 OVTMWJVDWSFLAK-SNVBAGLBSA-N 314.336 2.354 0 40 DEAB CNC(=O)CN(C(=O)CC[C@H]1CC[C@H](C)O1)c1ccccc1C 74726818 SHIOUTDYNFBSTL-LSDHHAIUSA-N 318.417 2.422 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2nccc(C(F)(F)F)n2)C1 77235691 VFNVVENJSXLMFK-RKDXNWHRSA-N 323.340 2.263 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCC(=O)N2Cc2ccco2)C1 72239611 STTNDTBFNOCMLJ-GUTXKFCHSA-N 304.390 2.275 0 40 DEAB C[C@H]1CCCN(C(=O)CS(=O)(=O)c2cccc(Cl)c2)C1 78978866 APXQXHTUUJDYKE-NSHDSACASA-N 315.822 2.372 0 40 DEAB CCOCc1cccc(S(=O)(=O)NCc2cccnc2)c1 72241242 CMBFAXGLQFYVAE-UHFFFAOYSA-N 306.387 2.097 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCNC[C@@H]2c2ccccc2)cc1 35418731 MSXGZTKZSFRUAM-QGZVFWFLSA-N 316.426 2.330 0 40 DEAB CNc1cc(CC2CCN([C@@H]3CCCC[C@H]3O)CC2)ncn1 72367484 QJMLAIOOVJRSBI-HZPDHXFCSA-N 304.438 2.076 0 40 DEAB C[C@@H](SC(F)(F)F)C(=O)Nc1ccc(CC(N)=O)cc1 31135214 RSSRMLFIQNLHFU-SSDOTTSWSA-N 306.309 2.294 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217557858 MIUGXIRDRUHLFC-SECBINFHSA-N 312.391 2.036 0 40 DEAB CNCc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 72222624 QSBMDOIYAHZMCV-UHFFFAOYSA-N 320.437 2.167 0 40 DEAB C[C@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CCN(C)C1=O 80399620 ZDVJWYCQJDPYPX-IUODEOHRSA-N 306.381 2.084 0 40 DEAB CO[C@H](C)CS(=O)(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 195230252 SWVNOVCPYXGDJT-ZJUUUORDSA-N 320.480 2.456 0 40 DEAB CC(C)C(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)NCc1ccco1 96252358 AFFRAAPNSXCWIM-NNQSOWQGSA-N 304.390 2.036 0 40 DEAB CCc1ccnc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 331581828 JEQDBLKHVRBJLN-MRXNPFEDSA-N 313.405 2.424 0 40 DEAB COCc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C[C@@H](C)N2 95471702 KUDNLKDZXVWHJZ-ZYHUDNBSSA-N 318.377 2.235 0 40 DEAB Cc1occc1C(=O)N1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 96218658 KCJIKCBRHZGGCN-XHSDSOJGSA-N 305.374 2.387 0 40 DEAB CN1C(=O)CC(C)(C)c2cc(S(=O)(=O)N3CCCC3)ccc21 96183103 IADUZBLKQXIPQX-UHFFFAOYSA-N 322.430 2.115 0 40 DEAB CCC[C@H]1SCCN1C(=O)c1nc2nc(C)cc(C)n2n1 96411651 GDPYFYMNOUFIIM-LLVKDONJSA-N 305.407 2.056 0 40 DEAB CCCOc1cc(C)ccc1CN[C@@H]1CCCS(=O)(=O)C1 97230746 SDAMPEIBEDAORX-OAHLLOKOSA-N 311.447 2.451 0 40 DEAB CC(=O)N(C)c1cccc(NC(=O)c2cc(N(C)C)ccn2)c1 97104062 UKKPBZWYWQGHRA-UHFFFAOYSA-N 312.373 2.383 0 40 DEAB O=C1CC[C@H]2[C@H](CCN2Cc2ccco2)N1CC1CCOCC1 96186323 YPOQVDMSJTYOQU-IRXDYDNUSA-N 318.417 2.272 0 40 DEAB CCN(C)S(=O)(=O)N(Cc1cscn1)c1ccccc1 96444569 CAAUEANQJDINTM-UHFFFAOYSA-N 311.432 2.346 0 40 DEAB COc1cc(F)ccc1NS(=O)(=O)C[C@H](OC)C1CC1 580429930 LEIPPMFRXRSYTN-ZDUSSCGKSA-N 303.355 2.001 0 40 DEAB CO[C@H]1CCN(CC2CC2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96206314 VWYJKYSQMGTZKH-KSZLIROESA-N 301.434 2.013 0 40 DEAB CCS[C@H]1CC[C@@H](Nc2ncnc(-n3cccn3)c2N)C1 96483293 HEKQTUNABCHXEK-MNOVXSKESA-N 304.423 2.331 0 40 DEAB O=C(CN1CCS[C@@H](c2ccccc2)C1)NC[C@H]1CCCO1 245343987 WULUAXJRLXQAKQ-HZPDHXFCSA-N 320.458 2.072 0 40 DEAB CO[C@@H]1CC[C@@H](NC(=O)NC[C@H](O)c2cc(C)cc(C)c2)C1 252504778 VKYZXCSZGNAIGV-OAGGEKHMSA-N 306.406 2.204 0 40 DEAB NC1(C(=O)N2CCC(c3cncc(Cl)n3)CC2)CCCCC1 257224751 FDFBIQPJNLCRLH-UHFFFAOYSA-N 322.840 2.498 0 40 DEAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2[nH]cnc2C)n1 257209204 BPJRKMFCTNROPS-QGZVFWFLSA-N 313.405 2.086 0 40 DEAB Cc1cc2cc(C(=O)N3C[C@H](O)[C@]4(CCCO4)C3)ccc2o1 257327905 XDGOGPYWSVSBEV-RDJZCZTQSA-N 301.342 2.107 0 40 DEAB O=S(=O)(CCCn1nnnc1C1CCCC1)c1ccccc1 58210292 JCESWYUMAVTURF-UHFFFAOYSA-N 320.418 2.195 0 40 DEAB COCCN(CC(C)C)C(=O)Cn1ccc(C(F)(F)F)n1 58713149 IQAAONPGPJAMFQ-UHFFFAOYSA-N 307.316 2.033 0 40 DEAB CC(=O)c1ccccc1OCCOC(=O)c1c(C)noc1N 16326830 AICUNCHXPQALTI-UHFFFAOYSA-N 304.302 2.004 0 40 DEAB CN(C)c1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 16596832 ZNHADKMRQUCKHO-UHFFFAOYSA-N 322.368 2.170 0 40 DEAB CCCc1cc(NC(=O)C(=O)Nc2ccccc2C)n(C)n1 156535183 POIDLBBXAPMXMT-UHFFFAOYSA-N 300.362 2.258 0 40 DEAB O[C@]1(c2ccc(F)cc2)CC[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]21 2038118201 KCPSQJOHUBGOAU-JFTQMJAMSA-N 305.393 2.392 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@](CO)(NCc2ccccc2)C1 953118735 OAHYMYQOTGIOLY-KRWDZBQOSA-N 306.406 2.148 0 40 DEAB Cc1nc(CN2CCN(Cc3ccncc3F)[C@@H](C)C2)co1 2086894066 IIVALVSMTFPMSC-LBPRGKRZSA-N 304.369 2.223 0 40 DEAB O=C(C1CC(F)(F)C1)N1C[C@@H]2CCN(Cc3cccnc3)[C@@H]2C1 1565542174 AWRCLFAYBMUZLE-DZGCQCFKSA-N 321.371 2.160 0 40 DEAB O=C(NCC(=O)N1CCCC1)Nc1nc2ccccc2s1 10465192 XYQPVOBXTDVSFM-UHFFFAOYSA-N 304.375 2.040 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc(F)cc1 31048053 FGDMBHVSOPXZID-AWEZNQCLSA-N 302.353 2.436 0 40 DEAB Cc1noc(C)c1CCC(=O)NC[C@H](O)c1ccc(F)c(F)c1 31296383 GRSQUYAACBSFNI-HNNXBMFYSA-N 324.327 2.352 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 40540615 SDWPUNGMJYOEHK-OCCSQVGLSA-N 320.437 2.492 0 40 DEAB O=C(CCc1nc(Cc2ccccc2)no1)N1CCSCC1 40542147 MWNYLNBVCSUEMH-UHFFFAOYSA-N 317.414 2.168 0 40 DEAB Cc1cccnc1NC(=O)c1ccc(Cl)cc1-n1cnnn1 20745430 MXZARNDGYUKFDT-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB COc1ccc(CNC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101811054 KTTVWAHNHWBAHY-DZKIICNBSA-N 315.369 2.067 0 40 DEAB CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1 331786 STOCVYFFHPYZER-UHFFFAOYSA-N 308.337 2.336 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1Cl 459248 XXVQYRVODRVUJS-FOCJUVANSA-N 303.745 2.481 0 40 DEAB CC(=O)O[C@@H](C(=O)NCc1ccc(F)cc1)c1ccccn1 1345049 BCGFHTWFERBIND-OAHLLOKOSA-N 302.305 2.141 0 40 DEAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2Cl)c1 75602367 YLOHMFJPWGTZJM-GFCCVEGCSA-N 321.812 2.251 0 40 DEAB C[C@H](c1ccc(Cl)cc1)N1CCN([C@@H]2CCN(C)C2=O)CC1 75863189 GOZXOHDACFDNIS-CZUORRHYSA-N 321.852 2.249 0 40 DEAB COc1cc(C(=O)N2CCCN(C)CC2)cc(Cl)c1OC 32963976 YZGAAHASNQTLQE-UHFFFAOYSA-N 312.797 2.135 0 40 DEAB CCN(CC)CCNC(=O)Nc1c[nH]c2ccc(F)cc2c1=O 4907943 HPQVNANFPZSWOO-UHFFFAOYSA-N 320.368 2.131 0 40 DEAB COc1cc2c3nc4n(c(=O)c3n(C)c2cc1OC)CCS4 4973423 CPRMHOUZKOENES-UHFFFAOYSA-N 317.370 2.011 0 40 DEAB CC(C)(C)C(=O)N1CCC(NC[C@H]2CCCn3ccnc32)CC1 84140024 JCJFQVJGXMVKBG-CQSZACIVSA-N 318.465 2.387 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)c2sccc2C2CC2)CC1 69919187 VJHGJGMKNFCEAK-CYBMUJFWSA-N 308.447 2.154 0 40 DEAB CCOc1ccc([C@@H]2CCCN2C(=O)CCn2cncn2)cc1 41999319 GWNCGQZYSPIFLS-INIZCTEOSA-N 314.389 2.431 0 40 DEAB O=C(Cn1cncn1)Nc1cccc(-c2cn3c(n2)CCCC3)c1 53547367 PRDNNXIZMYCWMQ-UHFFFAOYSA-N 322.372 2.117 0 40 DEAB CC(=O)Nc1nc(COC(=O)CCn2nc(C)cc2C)cs1 23206420 QKCFFXCEIYPIRW-UHFFFAOYSA-N 322.390 2.048 0 40 DEAB Cc1csc(NC(=O)c2ccc(N3CCNC3=O)cc2)n1 54303991 ZEQZEDYDCKJLHT-UHFFFAOYSA-N 302.359 2.233 0 40 DEAB C[C@H]1c2cccn2CCN1CCC(=O)NC(=O)NC1CCCC1 24743451 FSMCCCBGKFXADK-ZDUSSCGKSA-N 318.421 2.023 0 40 DEAB Cc1cc(NCCCn2cnc3ccccc32)n2ncnc2n1 12527541 XATSWDJGTRLZEQ-UHFFFAOYSA-N 307.361 2.285 0 40 DEAB CCc1nc(CC(=O)N2CCOC[C@H]2c2cccn2C)cs1 97143892 QSRVTTODHZBSNY-AWEZNQCLSA-N 319.430 2.187 0 40 DEAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C)c2nc(C)no2)cn1 107322518 MGPGHSSQHNVGGB-MPKXVKKWSA-N 305.382 2.023 0 40 DEAB COC(=O)c1cccc(C(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)n1 107338856 MMRPHEFYRUTRPN-RWMBFGLXSA-N 302.374 2.424 0 40 DEAB CC(C)c1nnc2n1CCN([C@H](C)c1nc(C3CC3)no1)C2 69706096 WLWDCZXCBNEUFO-SNVBAGLBSA-N 302.382 2.239 0 40 DEAB CNC(=O)c1cc(NC(=O)NCc2cccnc2)ccc1Cl 47813570 MBWRWXQGPDZROV-UHFFFAOYSA-N 318.764 2.416 0 40 DEAB CN(Cc1ccccc1N)S(=O)(=O)Cc1cccc(F)c1 97147759 INZIBJYTRBSAQI-UHFFFAOYSA-N 308.378 2.370 0 40 DEAB O=C(c1ccco1)N1[C@@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 100142533 BFOUXZPPWYHMMT-VXGBXAGGSA-N 316.332 2.469 0 40 DEAB CCOC(=O)Nc1cccc(OC(=O)c2ccc[n+]([O-])c2)c1 44569715 FNBZEYNJPIAMLC-UHFFFAOYSA-N 302.286 2.108 0 40 DEAB Cc1nn(C)cc1-c1ccnc(NCCCN2CCCC2)n1 48066957 HVFQCVNSRZFHBJ-UHFFFAOYSA-N 300.410 2.083 0 40 DEAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1cnccn1 48206044 HHWSPHRKVROWAA-UHFFFAOYSA-N 316.324 2.439 0 40 DEAB CCN(c1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1)C(C)C 58312039 VKRYQTLOSQBJAE-UHFFFAOYSA-N 317.433 2.226 0 40 DEAB C[C@H](Sc1nncn1C)C(=O)N1CCCc2ccccc21 10800168 IJBNRKQMCTWWOP-NSHDSACASA-N 302.403 2.275 0 40 DEAB CSCC[C@H](NC(=O)CSC)c1nnc2ccccn12 48448507 PIQUYGIVLHZAKN-JTQLQIEISA-N 310.448 2.003 0 40 DEAB Cc1nc(C)c(CCC(=O)Nc2ccc(C)c(F)c2)c(=O)[nH]1 12931300 FRLZGCKZJCAPCQ-UHFFFAOYSA-N 303.337 2.406 0 40 DEAB CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 3881820 GSGREUANUSWPFE-BASYENTBSA-N 313.353 2.181 0 40 DEAB biogenic CCc1nc([C@H]2CCCN2C(=O)CCn2nc(C)cc2C)no1 72299284 JATYTXJKAKWJOK-CYBMUJFWSA-N 317.393 2.199 0 40 DEAB CCOCCO[C@@H](C)C(=O)N[C@@]1(C)CCc2ccccc2C1 72296736 KUSGJMCGXYDPPL-KSSFIOAISA-N 305.418 2.492 0 40 DEAB C[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(N)=O)CC1 65503902 KPOAWURGXKLOFA-LBPRGKRZSA-N 306.381 2.118 0 40 DEAB C[C@H]1CN(C(=O)c2cc[nH]c2)[C@H](C)CN1C(=O)OC(C)(C)C 92988824 BRRKLGSGXHLLEK-NEPJUHHUSA-N 307.394 2.485 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(O)nc1 6651139 ZMAHSLUGXXHQDM-AWEZNQCLSA-N 315.373 2.337 0 40 DEAB CNC(=O)[C@@H]1CCCN(Cc2cccc3c2OC(C)(C)C3)C1 93360755 ZYBWBUFHEXPYKL-OAHLLOKOSA-N 302.418 2.358 0 40 DEAB CC[C@@H](C)NC(=O)CSc1nnnn1-c1cccc(C)c1C 7685686 SAKKVMITUHVZDW-LLVKDONJSA-N 319.434 2.286 0 40 DEAB O=C(COCc1ccccc1)N[C@H]1CCN(c2ccccc2)C1=O 68201216 ABLMJXOGYOOUCE-KRWDZBQOSA-N 324.380 2.125 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)no1 72232369 UUZYXNARPKAXJZ-QWHCGFSZSA-N 317.393 2.357 0 40 DEAB CN(Cc1ccccc1)[C@@H]1CCN(CC(=O)N2CCCCC2)C1 81532971 CJHGMPRCTMARCZ-GOSISDBHSA-N 315.461 2.205 0 40 DEAB O=c1nc(CN2CCCC[C@@H]2Cn2cccn2)[nH]c2ccccc12 70021701 BDYNQTPLEHJNSU-CQSZACIVSA-N 323.400 2.174 0 40 DEAB C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 70173461 CMISFPJTAQWMJQ-UWVGGRQHSA-N 320.817 2.227 0 40 DEAB FC(F)(F)c1nnc2ccc(NC[C@H]3CCCCO3)nn12 71828041 ACGZVLJRCLRVDZ-MRVPVSSYSA-N 301.272 2.124 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2cn(-c3ccccc3)nn2)c1 71876017 JAADMQDSQSDLPF-GOSISDBHSA-N 322.416 2.437 0 40 DEAB Cc1cccc(N2CCN(C3C[C@@H]4CC[C@H](C3)N4C)CC2)n1 97163396 CUDZAYQHQDFWFT-SJPCQFCGSA-N 300.450 2.137 0 40 DEAB CCc1noc(-c2ccc(C)c(NC(=O)N3CC[C@@H](O)C3)c2)n1 83830531 LDDFMEHIKBRJAY-GFCCVEGCSA-N 316.361 2.206 0 40 DEAB C[C@H](CO)[C@H](C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 97370346 YXHHMUOMEABXBE-ZJUUUORDSA-N 312.776 2.166 0 40 DEAB O=[S@@](Cc1csc(-c2ncccn2)n1)C[C@H]1CCCCO1 84614859 LNWSJBHIXABYBG-XUSGNXJCSA-N 323.443 2.418 0 40 DEAB O=C(NC[C@H]1CN(C2CC2)CCO1)Nc1ccccc1Cl 95409801 WVUYDRLIQYIJIT-LBPRGKRZSA-N 309.797 2.325 0 40 DEAB CS[C@@H](CO)[C@@H](C)NC(=O)Cc1cccc2cccnc12 95445683 IOXBHFQGYWDIMH-RISCZKNCSA-N 304.415 2.006 0 40 DEAB CC[C@@H](NC(=O)[C@H]1COCCO1)c1nc(C(F)(F)F)cs1 73278050 QIIYLSMCWASMEW-HTQZYQBOSA-N 324.324 2.145 0 40 DEAB C[C@@H](O)c1cn(C2CN(C(=O)CC3CCCCCC3)C2)nn1 95998095 QIQVWNKWUKDAIO-GFCCVEGCSA-N 306.410 2.075 0 40 DEAB Fc1cccnc1N1CC[C@@H](NCc2cccc3cn[nH]c23)C1 95990149 DMKJLNPJLIDEIY-CQSZACIVSA-N 311.364 2.466 0 40 DEAB CCc1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)o1 95983547 ZXAPUDZXPOTVMR-AWEZNQCLSA-N 317.389 2.406 0 40 DEAB Cc1ccc(CCNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1 74279901 BNZVHJXLPOBUPT-SJORKVTESA-N 301.434 2.416 0 40 DEAB CNC(=O)c1ccc(N(C)Cc2cccc(OC(F)F)c2)nn1 74742960 FTOLHIVJUZPBNN-UHFFFAOYSA-N 322.315 2.074 0 40 DEAB CC(C)Cc1ccccc1CNC(=O)NC[C@H]1CN(C)CCO1 527727373 OBAMXJWWYYFIMM-KRWDZBQOSA-N 319.449 2.015 0 40 DEAB CCn1nccc1C1CCN(C(=O)N[C@@H]2COCC2(C)C)CC1 556634651 DDMBGBHPSXVUEP-OAHLLOKOSA-N 320.437 2.217 0 40 DEAB Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1Cl 72203181 FCVACVPKAJGXFB-UHFFFAOYSA-N 312.801 2.496 0 40 DEAB CN(C)[C@@H](CNC(=O)NCc1cccs1)c1cccn1C 38489728 JJCALFFNBJBIKO-AWEZNQCLSA-N 306.435 2.189 0 40 DEAB COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C[C@H]1C 189779000 KPQAXUUDZJFVRV-KGYLQXTDSA-N 308.378 2.490 0 40 DEAB CCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32611596 XCPPYGBVCAYECI-CQSZACIVSA-N 324.446 2.004 0 40 DEAB CC(C)Oc1ccccc1C[S@@](=O)Cc1nnnn1C1CC1 78556150 LHPOHZHWMOESCL-QFIPXVFZSA-N 320.418 2.244 0 40 DEAB CC1(C(N)=O)CN(C(=O)c2ccc(Cl)cc2C(F)(F)F)C1 566277414 HRYUNGWIUGXZNX-UHFFFAOYSA-N 320.698 2.306 0 40 DEAB CN(C)CCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 71279600 CSWPZRPDQAGUMF-UHFFFAOYSA-N 323.396 2.104 0 40 DEAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)NCCCCC(C)(C)C 77662303 RBUXKGBCONVFKP-QWHCGFSZSA-N 318.483 2.420 0 40 DEAB COCCNC(=S)Nc1ccc(N2CCC[C@@H](C)C2)nc1 223885809 IQEBGUBDDFXZLC-GFCCVEGCSA-N 308.451 2.251 0 40 DEAB CSCC[C@@H](C(=O)NCCCc1nc(C)no1)n1cccc1 575443575 QQMDISIZXRBXCQ-ZDUSSCGKSA-N 322.434 2.223 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(N)cc2)c2ccccc2O1 41157562 NWRXKITWFAWRHP-LLVKDONJSA-N 304.371 2.245 0 40 DEAB CC(C)Oc1cccc(C(=O)N2CCC3(CC2)CNC(=O)C3)c1 320828004 AHLXWCFNDJTQKZ-UHFFFAOYSA-N 316.401 2.216 0 40 DEAB Cc1cc(CNC(=O)Nc2ccc(F)cc2)nc(N(C)C)n1 191426407 ADECYHDRFBNEMC-UHFFFAOYSA-N 303.341 2.312 0 40 DEAB COc1ccc([C@@H]2CCCCCN2C[C@@](C)(O)C(=O)O)cc1 572168929 QUXYPRKJARSNFV-DOTOQJQBSA-N 307.390 2.448 0 40 DEAB COCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1C 226851750 BZTREBMYKZIBRO-CQSZACIVSA-N 317.389 2.101 0 40 DEAB COc1ccc2nnc(C(=O)NCCc3ccccc3)nc2c1 46088314 IHEGZMXLBOSJIZ-UHFFFAOYSA-N 308.341 2.006 0 40 DEAB CCOc1c(Cl)cccc1NC(=O)NCCc1ncnn1C 88374038 QOWZHINETWBJFB-UHFFFAOYSA-N 323.784 2.231 0 40 DEAB O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1cccnc1)CC(O)=N2 95478002 MXSIMCOGHGJULT-GFCCVEGCSA-N 314.345 2.047 0 40 DEAB Cc1ccc(C(=O)N(C)CCCNC(=O)OC(C)(C)C)n1C 96412732 FOKAMFHCUSSHIZ-UHFFFAOYSA-N 309.410 2.320 0 40 DEAB Cc1ccccc1N1C[C@]2(CCN(c3cnccn3)C2)CC1=O 96238590 HNEQTHHPYKLFQY-GOSISDBHSA-N 308.385 2.418 0 40 DEAB Cn1nccc1CNC(=O)Nc1cc(F)ccc1OC(F)F 96471105 TWIBSPBAXIPPLA-UHFFFAOYSA-N 314.267 2.482 0 40 DEAB CN(C)CC[C@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn21 248158232 ZYXKCTYHTBZZNV-HNNXBMFYSA-N 318.446 2.022 0 40 DEAB CCc1cc(C(=O)N2CCC[C@H]2c2cc(NC)nc(C)n2)on1 257203330 APOQVNKDMLKABT-ZDUSSCGKSA-N 315.377 2.354 0 40 DEAB CCO[C@H](C)C(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 253397593 FGYLEKJJBZTFRB-ZIAGYGMSSA-N 305.422 2.350 0 40 DEAB c1coc(CN2CCOC[C@@]3(CC[C@@H](CN4CCCC4)O3)C2)c1 253595513 FKQGPLZKGBJISZ-ZWKOTPCHSA-N 320.433 2.125 0 40 DEAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(N2C(=O)OCC2(C)C)n1 257332121 XVVUKUPCYVDEAE-GFCCVEGCSA-N 318.377 2.204 0 40 DEAB Cc1ccnn1CCC(=O)N1CCC[C@@H](c2nccs2)C1 257279175 OFJBDCZFWRBGTN-CYBMUJFWSA-N 304.419 2.444 0 40 DEAB Cc1nn(C)cc1C(=O)N1Cc2nccn2C[C@@H]1c1ccccc1 257304198 SKMCDHQNVOYHSD-MRXNPFEDSA-N 321.384 2.322 0 40 DEAB Cc1nc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)co1 257236488 HCKQAZWLLDJDIS-FVQBIDKESA-N 316.357 2.074 0 40 DEAB Cc1cc(-c2nccs2)nc([C@H]2CCCN2S(C)(=O)=O)n1 257202894 ANVPWIVKKXEBQE-LLVKDONJSA-N 324.431 2.005 0 40 DEAB COc1ccc([C@H]2CN(C(C)=O)CCN2C(=O)CC2CC2)cc1 257339007 YZVKVSIYFWGSJF-QGZVFWFLSA-N 316.401 2.227 0 40 DEAB COc1ccc([C@@H]2CCN(c3ncnc4c3cnn4C)C2)cc1 299621980 QSBBIZYGRLXZIG-CYBMUJFWSA-N 309.373 2.366 0 40 DEAB Cc1nccc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 257203139 AOVKEEDERJLYGJ-ZDUSSCGKSA-N 316.430 2.499 0 40 DEAB CCOc1c(I)cc(CO)cc1OC 269314516 WYSHCKRVZFUKLA-UHFFFAOYSA-N 308.115 2.191 0 40 DEAB O=C(O)c1cnn(C2CCN(C(=O)Cc3ccsc3)CC2)c1 263243054 UGLCCJLMBPDLNU-UHFFFAOYSA-N 319.386 2.049 0 40 DEAB CO[C@H]1CN(C(=O)CCC(=O)O)CC[C@@H]1Cc1cccc(F)c1 585279828 QAZWJGWAXCKBMN-HIFRSBDPSA-N 323.364 2.097 0 40 DEAB Cc1ccccc1CN1CCCN(C(=O)[C@H]2CCOC2)CC1 66916112 HOKVWCUHYMZGRA-KRWDZBQOSA-N 302.418 2.066 0 40 DEAB COc1ccc(/C=C/C(=O)NC2(C(=O)O)CCCC2)c(OC)c1 78307637 WBZINAOHZYUFFS-SOFGYWHQSA-N 319.357 2.231 0 40 DEAB CSC[C@@](C)(O)CN[C@@H]1CCCN(Cc2ccccc2)C1 96478066 UYYDVFOUAAFZAJ-SJORKVTESA-N 308.491 2.355 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@H](CCSC)OC)cc1 1775969132 YRXRHTMWOGZZFK-AWEZNQCLSA-N 324.446 2.072 0 40 DEAB Cc1nccn1CC1(O)CCN(Cc2ccc(F)c(F)c2)CC1 19287970 NSSMQTLJWJVIOW-UHFFFAOYSA-N 321.371 2.497 0 40 DEAB COc1ccc([C@@H]2CCCCN(C(=O)Cn3cncn3)C2)cc1 206883950 IALQBMCKCIFYSO-OAHLLOKOSA-N 314.389 2.083 0 40 DEAB CC(C)(C)C(=O)N1CCC(CN(CC(N)=O)C2CCCC2)CC1 159238014 JUKJRZRVZLJHDU-UHFFFAOYSA-N 323.481 2.001 0 40 DEAB Cc1cc(OC[C@@H](O)CNCCCO)c(C(C)C)cc1Cl 7063771 AZQDERRRWQBLAU-ZDUSSCGKSA-N 315.841 2.484 0 40 DEAB O=C(Nc1nc2c(s1)CCCC2)c1cc2c(nn1)CCOC2 1889091766 VYFLSRFXQCPUPZ-UHFFFAOYSA-N 316.386 2.137 0 40 DEAB Cc1cnccc1O[C@H]1CCN(c2nc3cccnc3n2C)C1 1889136264 YKVJFGDEECDGBO-ZDUSSCGKSA-N 309.373 2.329 0 40 DEAB Cc1nc(-c2ccc(CNC(=O)c3ccc(O)nn3)o2)cs1 23417733 DNJZBLKKWXKVSQ-UHFFFAOYSA-N 316.342 2.137 0 40 DEAB C[C@@H](OC(=O)C1CCC1)C(=O)Nc1ccc2c(c1)OCCO2 28632753 TUCIZYQEEQZHQM-SNVBAGLBSA-N 305.330 2.128 0 40 DEAB O=c1[nH]ncc(NC[C@H]2CCN(c3ccccc3)C2)c1Cl 29624602 XXFBEZJMTUYZJX-LLVKDONJSA-N 304.781 2.362 0 40 DEAB Cn1cnc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1Cl 35221419 GJFZHWPKOLQRTF-GHMZBOCLSA-N 317.842 2.274 0 40 DEAB O=C1[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1C1CCCCC1 101360941 IQFMCSUERRNACD-DZGCQCFKSA-N 316.332 2.246 0 40 DEAB O=C(c1cc[nH]c1)N1CCc2ncnc(-c3ccncc3)c2CC1 1565554403 ZARFEFPPLRZBDG-UHFFFAOYSA-N 319.368 2.108 0 40 DEAB CCOC(=O)Cc1cs/c(=N\c2ccc(C)cc2)n1CCO 9317453 GXEXDXUOOVUPJN-MSUUIHNZSA-N 320.414 2.188 0 40 DEAB COc1ccccc1NC(=O)N1c2ccccc2C[C@@H]1C(N)=O 10256218 WGDIIXFLWFZSBD-CQSZACIVSA-N 311.341 2.144 0 40 DEAB Cn1nccc1C(=O)Nc1nnc(-c2ccccc2Cl)o1 11695078 DCQKBVMPMPNCHM-UHFFFAOYSA-N 303.709 2.376 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2N2CCOCC2)[C@@H]1C 40007615 SDHGMDJVWKOJCA-IIAWOOMASA-N 317.433 2.473 0 40 DEAB CCNC(=O)NC1(C(=O)N[C@H](C)c2ccccc2)CCCC1 40556341 FGBWKCHQLWEHAT-CYBMUJFWSA-N 303.406 2.496 0 40 DEAB O=C(NCc1cscn1)NCc1ccccc1-n1ccnc1 101995402 FLCKWPRWMLFRHF-UHFFFAOYSA-N 313.386 2.328 0 40 DEAB C[C@@H]1CCCCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 2630555 IZMNPAAYEOHJJJ-OAHLLOKOSA-N 317.433 2.336 0 40 DEAB O=S(=O)(c1ccccc1)N(Br)Br 2168383 OTVPURYEWXIAKH-UHFFFAOYSA-N 314.986 2.297 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)[C@H]1COc2ccccc2O1 3360052 NMBVRWGJDSENGG-LLVKDONJSA-N 303.343 2.194 0 40 DEAB Fc1ccccc1-c1n[nH]c(SCCN2CCOCC2)n1 21867604 UJLCOFHDVKIXGK-UHFFFAOYSA-N 308.382 2.035 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCCc1ccccc1 6728732 SXLCHJRPJHBTEJ-UGUYLWEFSA-N 301.386 2.482 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@@H]1C 96007726 CEXUEYPZJJBHGG-DTORHVGOSA-N 308.325 2.377 0 40 DEAB Cn1ccc(NS(=O)(=O)c2ccc(Br)s2)n1 2766569 ZPRYJGXIFJGAGL-UHFFFAOYSA-N 322.209 2.045 0 40 DEAB COC(C)(C)C[C@H](C)NC(=O)NCCc1cn2c(n1)CCCC2 76084758 GDWUVYLLUWHXQN-ZDUSSCGKSA-N 322.453 2.265 0 40 DEAB CN(Cc1cccs1)C(=O)Cn1cnc2sccc2c1=O 9578311 HDQNVLXPPIWNQA-UHFFFAOYSA-N 319.411 2.178 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 42929193 JBLXZDAUSJLNKQ-AWEZNQCLSA-N 317.433 2.305 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)CCNC(=O)OCC(F)(F)F 69531421 MLQGGSARFAXCHM-UWVGGRQHSA-N 310.316 2.455 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107585750 ZGBQNZSPQRNCPZ-JDFRZJQESA-N 314.433 2.234 0 40 DEAB CC(C)N(C(=O)COC(=O)[C@H]1COc2ccccc2O1)C(C)C 3271907 ZUSRSXGWQVDYJO-OAHLLOKOSA-N 321.373 2.015 0 40 DEAB CN1CCN(C[C@@H](O)COCc2ccco2)c2ccccc21 108125851 FBLFDIBJEIOECP-CQSZACIVSA-N 302.374 2.114 0 40 DEAB CCOc1ccc(Cl)c(C(=O)N[C@@H]2CCN(C3CC3)C2)n1 57554916 QOSFAZFKRSKVTI-SNVBAGLBSA-N 309.797 2.100 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1 26881269 MNRCRTRIACAERK-NSHDSACASA-N 307.371 2.392 0 40 DEAB O=C1C[C@H](NCCc2cccs2)C(=O)N1c1ccccc1 22118525 HNPRGEQPGGYUDV-AWEZNQCLSA-N 300.383 2.212 0 40 DEAB COCCNc1ccc(CNC(=O)Nc2ccccn2)cc1 58163220 XAGJWIHYSVODCQ-UHFFFAOYSA-N 300.362 2.462 0 40 DEAB CC(=O)N[C@@H](CC(=O)NCc1nc(C)cs1)c1ccccc1 44894638 JLKHLCWHIXMJHU-AWEZNQCLSA-N 317.414 2.335 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)NCc1cccnc1OC(C)C 44952800 IPXQTMYEKFUBAR-UHFFFAOYSA-N 322.796 2.494 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1cnn(-c2ccccc2)c1 58421503 QEQFNTQIQRZGJH-UHFFFAOYSA-N 324.432 2.270 0 40 DEAB O=C(c1ccc(Cl)s1)N1CCN(CCn2cccn2)CC1 62022034 BFWOZVSMRVLNNL-UHFFFAOYSA-N 324.837 2.056 0 40 DEAB Cc1ccc(CN2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1 28700381 IYOMHIYDGOMKAQ-OAHLLOKOSA-N 300.402 2.402 0 40 DEAB NC(=O)[C@H](OC(=O)c1n[nH]c2ccccc12)c1ccc(F)cc1 11149296 PQFLQCSADHISLM-CQSZACIVSA-N 313.288 2.085 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 29077213 AVTZWUJTNDKXFL-AWEZNQCLSA-N 323.356 2.237 0 40 DEAB O=C(CN(Cc1ccc(F)cc1F)C1CC1)Nc1nncs1 48375270 SSAJGVMTEIHOOE-UHFFFAOYSA-N 324.356 2.419 0 40 DEAB C[C@H](O)CN(CC(=O)N[C@@H](C)c1ccco1)C1CCCCC1 69738096 VNLJBMSTFRHBDY-KBPBESRZSA-N 308.422 2.472 0 40 DEAB CN(Cc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 48583504 CDWNPWOAHYKZRB-QMMMGPOBSA-N 324.265 2.130 0 40 DEAB CCS(=O)(=O)CCC(=O)Nc1ccc(Br)cc1 69813879 IDXSTNLTTJDVDC-UHFFFAOYSA-N 320.208 2.212 0 40 DEAB CN1CCO[C@H](CNCc2coc(-c3ccc(Cl)cc3)n2)C1 69899220 XYRIQPXIWNOUBV-OAHLLOKOSA-N 321.808 2.415 0 40 DEAB Cc1ccc(OCCCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13170562 QUKIRLOSPSMXIQ-CQSZACIVSA-N 305.374 2.477 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2noc(C3CC3)n2)n1 69949803 XTRVATYOLWBLPW-AWEZNQCLSA-N 301.394 2.425 0 40 DEAB Cc1cccc(-n2ncc3c(NCCCN(C)C)ncnc32)c1 3912261 ALEWWGUNJYGOKM-UHFFFAOYSA-N 310.405 2.488 0 40 DEAB COC(=O)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)o1 5231224 AOKRNKPMEUTEDF-UHFFFAOYSA-N 318.716 2.478 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2nc(C)no2)cc1 65548008 TZYLGQLATOVATE-OAHLLOKOSA-N 314.389 2.259 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(Cc3ccc(F)cc3)nc2c1 65578865 NZMILRNCOQCONK-UHFFFAOYSA-N 312.300 2.440 0 40 DEAB Cc1nnsc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8920585 YBGFTTBIHRPGTN-NSHDSACASA-N 306.391 2.006 0 40 DEAB CCO[C@H]1CCCN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 67567434 NAUQUPQIBBYQMP-HNNXBMFYSA-N 315.377 2.300 0 40 DEAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(C(N)=O)cc1 7494370 ODEPBLITLWZJQM-UHFFFAOYSA-N 323.396 2.485 0 40 DEAB C[C@@H](NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1nncn1C 68106486 ZHUOQMXBCPBGOC-SECBINFHSA-N 317.780 2.370 0 40 DEAB O=C(c1cc(Cl)ccc1O)N1CCC(C2OCCO2)CC1 69263377 NMJWRGADNKWSON-UHFFFAOYSA-N 311.765 2.271 0 40 DEAB COc1cc(C(=O)N2CCCC[C@H]2C2OCCO2)ccc1C 69321381 BTCSGTZRKRXMJY-AWEZNQCLSA-N 305.374 2.371 0 40 DEAB CC(=O)N1CCCN(C(=O)N[C@@H]2CCCC[C@@H]2C(C)C)CC1 71799706 CYBNYOQUHBOWFP-HZPDHXFCSA-N 309.454 2.465 0 40 DEAB c1ccc2[nH]c(CN3CCN(C[C@H]4CCCCO4)CC3)nc2c1 96490476 UGAAMHVDLCWEKR-OAHLLOKOSA-N 314.433 2.250 0 40 DEAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc2[nH]cnc2c1 96493774 WARCEDHCMKFVOB-CYBMUJFWSA-N 315.373 2.369 0 40 DEAB C[C@@](N)(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CC1 97049378 UOEKVXPCMCOXSA-HOCLYGCPSA-N 308.809 2.447 0 40 DEAB O=C(C[S@@](=O)Cc1cccc(C(F)(F)F)c1)NCC1CC1 71858905 HLKRTQNATIADNP-OAQYLSRUSA-N 319.348 2.480 0 40 DEAB COc1nc(C(=O)N2CCC(N(C)C)CC2)cc2ccccc12 71841364 HCJPJZKOHBRTFP-UHFFFAOYSA-N 313.401 2.410 0 40 DEAB CCNC(=O)CN(CC)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 71803170 HXORDQHKLRDICK-CQSZACIVSA-N 323.824 2.495 0 40 DEAB O=C(N[C@H]1CCc2c(O)cccc21)c1n[nH]c(=O)c2ccccc12 71898052 DXQZIYGHFTYECY-AWEZNQCLSA-N 321.336 2.046 0 40 DEAB Cn1cc(CC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cn1 77328641 WZJGHUHOENSOSA-CQSZACIVSA-N 313.357 2.055 0 40 DEAB CCn1nc(C(=O)N2CCCC[C@@H]2c2nccs2)ccc1=O 72285807 QKKYRJVXXNZYSL-GFCCVEGCSA-N 318.402 2.087 0 40 DEAB Cc1cnn(CCNCC(=O)N2CCC[C@H]2c2cccs2)c1 72253075 YQJBHKHVMXRJDY-AWEZNQCLSA-N 318.446 2.206 0 40 DEAB Cc1n[nH]c(C)c1CNC[C@H](c1ccccc1)N1CCOCC1 97159469 JNWZOBRIWZLCDF-GOSISDBHSA-N 314.433 2.190 0 40 DEAB CC(C)Cn1nccc1NC(=O)NCc1nncn1C(C)C 72306018 JXEPPVWATRFYRT-UHFFFAOYSA-N 305.386 2.033 0 40 DEAB O=C(CN1CCN(Cc2cccc(Cl)c2)CC1)N1CCCC1 84367723 CQMNXIFNDNXPTP-UHFFFAOYSA-N 321.852 2.080 0 40 DEAB C[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)s2)C[C@@H]1O 97373475 GXLLCALYOYSYBC-MFKMUULPSA-N 307.394 2.475 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)N[C@H]1CCCc2occc21 84569269 IRWCHXDHIUIGLK-AWEZNQCLSA-N 323.356 2.127 0 40 DEAB CC[C@@H](c1ccncc1)N(CC)C(=O)N[C@H](C)c1nncn1C 95399969 IFAPJTPZEIELSL-OCCSQVGLSA-N 316.409 2.454 0 40 DEAB Cn1cc([C@](C)(O)CNC(=O)Nc2cccc(C(F)F)c2)cn1 95401063 PYRYOORPYBMARK-OAHLLOKOSA-N 324.331 2.387 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)CN1CCOC1=O 95400160 YUWUGOYWWSVSGH-QEJZJMRPSA-N 302.374 2.055 0 40 DEAB C[C@@H]1C[C@@H](c2ccsc2)CN1C(=O)C(=O)Nc1cccnc1 95401122 QTQLLZXEMKQOOJ-DGCLKSJQSA-N 315.398 2.486 0 40 DEAB Cc1cc(NCC(=O)N[C@H](C)C(=O)N2CCCCC2)ccc1F 95417986 LMORGUHGWWZHAO-CYBMUJFWSA-N 321.396 2.063 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(C(C)C)no1)CC2 95400704 UKGHTZLQBRBSQZ-HUUCEWRRSA-N 322.405 2.190 0 40 DEAB CN(CCOCC1CC1)C(=O)Nc1ccc([S@](C)=O)cc1 88391095 KILMNDZFLQFFKN-OAQYLSRUSA-N 310.419 2.314 0 40 DEAB CC(C)(C)[C@@H]1NC(=O)N(Cc2cccc(-n3cccn3)c2)C1=O 95992581 NLBNKHZDZNHQPO-CQSZACIVSA-N 312.373 2.339 0 40 DEAB CC(C)[C@@H](NC(=O)CN1CCN(C)C[C@H]1C)c1cccs1 89938968 LKEGPJMBZLPZAP-CZUORRHYSA-N 309.479 2.197 0 40 DEAB CCCc1nc2ccccc2n1CCC(=O)Nc1cn(C)nn1 555242873 LBFCTVUOAHGYCT-UHFFFAOYSA-N 312.377 2.146 0 40 DEAB COCCNC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC 42843408 BSKIZAVXTBZZQK-AWEZNQCLSA-N 308.378 2.197 0 40 DEAB Cc1cccc(Nc2cnc([C@H]3CCCN(CCO)C3)cn2)n1 72361632 HXIXHASLSLOUBL-AWEZNQCLSA-N 313.405 2.095 0 40 DEAB CC(=O)NCc1ccc(C(=O)N2CCOC[C@H]2CC(C)C)cc1 71042883 JUDLIKQHHDPMHD-QGZVFWFLSA-N 318.417 2.210 0 40 DEAB C[C@]1(c2nc(-c3ccccn3)no2)Oc2ccccc2NC1=O 72241210 ISSASLIQIWJULI-INIZCTEOSA-N 308.297 2.378 0 40 DEAB O=C1OCC[C@H]1Sc1nnc(COc2ccc(F)cc2)o1 72645549 SIYWNRXRGLFKRL-SNVBAGLBSA-N 310.306 2.195 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCC3)CC1 491119856 YIHGIRPGZTXGMF-UHFFFAOYSA-N 304.394 2.022 0 40 DEAB O=C(Cn1cc(-c2ccccc2)ncc1=O)Nc1nccs1 72404882 OFICTAVNNHVFBD-UHFFFAOYSA-N 312.354 2.006 0 40 DEAB CC(C)c1ocnc1C(=O)N1CCN(C2=NC[C@H](C)S2)CC1 73117953 OZMPFLPGFMWZLI-NSHDSACASA-N 322.434 2.047 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Br)cc1O 44490941 IIAYYYWNHWNGES-UHFFFAOYSA-N 324.178 2.160 0 40 DEAB CCOC(=O)c1cc(I)cc(OC)c1 85221311 HNYZPGYTZQEBGU-UHFFFAOYSA-N 306.099 2.477 0 40 DEAB CCOC(=O)N1CCN(C(=O)CCc2ccccc2F)CC1 47340011 KMMVWOBWWXQQJD-UHFFFAOYSA-N 308.353 2.059 0 40 DEAB O=C(O)c1ccc(CN2CCC[C@H]2Cn2ccnn2)cc1Cl 569347585 IJSSCCDRMJHZDF-LBPRGKRZSA-N 320.780 2.294 0 40 DEAB COc1ccc2c(c1)OC1(CCN(C(=O)N(C)C)CC1)CC2=O 225820099 LYCDRSKWEBMOJU-UHFFFAOYSA-N 318.373 2.177 0 40 DEAB Cc1nn(C)c2cn([C@@H](C)C(=O)NCc3cccs3)nc12 41123810 DXPPTZCSVOOZAG-JTQLQIEISA-N 303.391 2.017 0 40 DEAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccs2)n2nnnc2N1 45896161 JMHHKTHVDFKRDO-LLVKDONJSA-N 319.390 2.365 0 40 DEAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1ccc(F)c(Cl)c1 75171866 BYRJNFKWUHPZMI-GFCCVEGCSA-N 319.741 2.084 0 40 DEAB C[C@@H]1CN(C(=O)Nc2cn(C)nc2-c2ccco2)CCCO1 529237418 LKPKCFWZLJMBKR-LLVKDONJSA-N 304.350 2.323 0 40 DEAB CCOC(=O)[C@](C)(C(=O)O)[C@H]1CCc2cc(OC)ccc2C1 82048695 NYKDPNQDSCCMMR-GUYCJALGSA-N 306.358 2.454 0 40 DEAB COc1cccc(NC(=O)NCc2cc(C)nc(N(C)C)n2)c1 191427923 HEAOVVYEQIMXSL-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB CN(Cc1nccn1C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 578402520 ILRZGXUGIUPOOZ-UONOGXRCSA-N 302.353 2.257 0 40 DEAB CC(C)N1CCC[C@@H](SCc2cccc(C(N)=O)c2)C1=O 96451108 YCVDBYQQUDMPTP-CQSZACIVSA-N 306.431 2.418 0 40 DEAB CCc1nc(C[S@](=O)[C@@H](C)C(=O)NCC(C)C)cs1 96402532 HKGQGESCFBUOTR-APBUJDDRSA-N 302.465 2.115 0 40 DEAB C[C@@H]1SCCN(C(=O)NCCc2cn3c(n2)CCCC3)[C@@H]1C 96411411 KBDYYFOEBIUIGN-OLZOCXBDSA-N 322.478 2.297 0 40 DEAB CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1 331208107 FPTBSXDIFVKYNH-LLLHUVSDSA-N 305.418 2.156 0 40 DEAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccncc1)C2 96056827 RNYCRENMPMGYFV-WBVHZDCISA-N 304.390 2.129 0 40 DEAB Cc1nn(C)c2nc([C@@H]3CCCN(c4cnccn4)C3)ccc12 257200878 AFFVPKIPMLVLES-CYBMUJFWSA-N 308.389 2.451 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2ccccc2F)n1 257252153 JTSWVCJMLFXJGI-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB 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CCOC(=O)c1sc(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)nc1C 102690294 DOSXHXIZDAQBAK-SDDRHHMPSA-N 320.414 2.457 0 40 DEAB CCN(CC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57521703 OISAKNCHWXNOSU-UHFFFAOYSA-N 322.434 2.013 0 40 DEAB CC1(C)NC(=O)N(CCN2CCC[C@@H]2Cc2ccccc2)C1=O 26915530 GIEJREQWCITHHD-OAHLLOKOSA-N 315.417 2.024 0 40 DEAB CC(C)c1ccccc1OC[C@H](O)CSc1nncn1C 58013320 AQRGQFMTRZZORK-LBPRGKRZSA-N 307.419 2.471 0 40 DEAB COc1ccc(-c2noc(-c3n[nH]c(=O)c4ccccc34)n2)cn1 72274964 MADLLZNSSFCIJY-UHFFFAOYSA-N 321.296 2.044 0 40 DEAB CC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccccc1OC 48198717 BMTYUVLLFRIALY-GXTWGEPZSA-N 304.390 2.131 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@@H]1c1ccccc1 10339846 YDPJAVDMBNCHMQ-CQSZACIVSA-N 303.406 2.448 0 40 DEAB Cc1cc(CNC(=O)c2sc(-c3ncccn3)nc2C)no1 58315155 OURNHMNLHMKFRB-UHFFFAOYSA-N 315.358 2.135 0 40 DEAB C[C@@H](NC(=O)CN1CCN(c2cc(F)cc(F)c2)CC1)C1CC1 58392480 CMUJMXKWNIVCMX-GFCCVEGCSA-N 323.387 2.002 0 40 DEAB CC(C)(C)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 58381789 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Cc1cn(C)c([C@@H]2CCN(C(=O)CCc3c(C)noc3C)C2)n1 257328837 XHHUBEIVCUKZOT-CQSZACIVSA-N 316.405 2.282 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)ccn1 257295465 QYKIARSSENGCCQ-INIZCTEOSA-N 315.373 2.137 0 40 DEAB O=C(c1nccc2ccccc12)N1CCOC[C@@H]1c1ccn[nH]1 257253373 JYPPSRJHGGVGTP-OAHLLOKOSA-N 308.341 2.172 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCSCC1)c1ccco1 253406766 UWNPIAJSHQZAOK-LBPRGKRZSA-N 306.387 2.393 0 40 DEAB O=C(CCc1cccs1)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257289328 PYDOVFHUNJHHOD-BFYDXBDKSA-N 322.474 2.175 0 40 DEAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)c1ccccc1O 58391438 ABLXXARISWKJQD-JTQLQIEISA-N 302.296 2.006 0 40 DEAB Cc1cnn(C[C@H](C)NCc2csc(-c3cnn(C)c3)n2)c1 69701266 VVBKKPVXVLXXSX-LBPRGKRZSA-N 316.434 2.227 0 40 DEAB C[C@@H]1CN(C)c2ccccc2N(CC(=O)NCc2cccnc2)C1 76040617 PWCLYUAXBXWHMU-OAHLLOKOSA-N 324.428 2.290 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2cscn2)c(Cl)c1 78482958 RUXIDRRRVRWSJS-UHFFFAOYSA-N 309.778 2.473 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@@H](O)C1 97162084 LGOWAOHJCTXJFU-WCQYABFASA-N 308.426 2.174 0 40 DEAB CC(C)CNC(=O)CSc1nnc(Cc2ccccc2)n1C 5499165 WEJHZLRBHOSMGE-UHFFFAOYSA-N 318.446 2.270 0 40 DEAB Cn1nccc1C(=O)C1CCN(C(=O)c2cccs2)CC1 12337200 WYEQJJLCNFOGEE-UHFFFAOYSA-N 303.387 2.217 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1cccc(Cl)c1 12414906 TVPXLAGKCIPKFS-UHFFFAOYSA-N 317.776 2.414 0 40 DEAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)[C@@H]2C[C@H]2C)n1 12747366 OIVXCRAERZYFNE-NOZJJQNGSA-N 314.389 2.372 0 40 DEAB CCOc1ccc(N2C[C@@H](CNC(=O)C(C)C)CC2=O)cc1 8925532 XXGAGWZHLYDBOC-CYBMUJFWSA-N 304.390 2.210 0 40 DEAB Nc1nc(SCC(=O)N2CCCCC2)nc2sccc12 9339234 DBSKPZMDGUYBKI-UHFFFAOYSA-N 308.432 2.378 0 40 DEAB O=S(=O)(N[C@@H]1CCCN(CC2CCCCC2)C1)C1CC1 1889130368 XATFUZVGAWUFRN-CQSZACIVSA-N 300.468 2.113 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N(C)C1CCNCC1 36300084 SQWSVOAYNNFVOW-UHFFFAOYSA-N 302.827 2.021 0 40 DEAB C[C@H]1CN(c2ncc(Cl)cn2)CCN1Cc1ccncc1F 2086884812 DAWGRTNPCQZRTN-NSHDSACASA-N 321.787 2.375 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(c3ncccc3F)C[C@H]2C1 2086934231 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CCO[C@H]1C[C@@H](NC(=O)c2cnc3[nH]nc(C)c3c2)C12CCC2 76022826 MFFYHBQWMYIVHB-KGLIPLIRSA-N 314.389 2.344 0 40 DEAB CS(=O)(=O)c1ccccc1NC(=O)NCc1ccccc1 43929690 VEIYQLZSAITXCR-UHFFFAOYSA-N 304.371 2.412 0 40 DEAB CCCS(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 76018718 FZGZIWATFXAWRP-NWDGAFQWSA-N 301.795 2.300 0 40 DEAB CC(C)C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 58175025 YQMNNHZNNFSQRB-UHFFFAOYSA-N 301.346 2.335 0 40 DEAB CCN(CC)c1ccc(NC(=O)N(C)Cc2cnn(C)c2)cn1 48173541 ZZXUCNYCZXZIOL-UHFFFAOYSA-N 316.409 2.325 0 40 DEAB CCOc1ccccc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 78026230 IIGFRBXHQZIEQR-ZDUSSCGKSA-N 303.280 2.225 0 40 DEAB CC[C@@](C)(NC(=O)CCc1cc(OC)ccc1OC)C(=O)OC 58214310 ZVCMENSKTKTNLU-QGZVFWFLSA-N 323.389 2.094 0 40 DEAB CCN(CC)C(=O)CNC(=O)N1CC[C@H](c2ccccc2)C1 58293865 YPNWBOIQTSSUTQ-HNNXBMFYSA-N 303.406 2.054 0 40 DEAB CC(C)C(=O)NC1CCN(Cc2nnc(-c3ccco3)o2)CC1 44948953 GQEKAZPXHCJOQR-UHFFFAOYSA-N 318.377 2.066 0 40 DEAB COc1cc2nc(COCC(F)(F)F)[nH]c(=O)c2cc1OC 44978331 VQXOXDCJLMCZCZ-UHFFFAOYSA-N 318.251 2.019 0 40 DEAB O=c1cc(CN2CCN(c3ccc(Cl)cc3)CC2)occ1O 36354459 FBBULNXJVFWGOO-UHFFFAOYSA-N 320.776 2.321 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 28776081 FOWXGTPHAQAWQY-UHFFFAOYSA-N 318.398 2.432 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc(-c2cccnc2)on1 48311486 IIPSTALTYJPCDX-CQSZACIVSA-N 321.336 2.470 0 40 DEAB c1cc(CN2CCCCC2)ccc1CNc1ccc2nnnn2n1 12804942 MQTGXNZCHKWELC-UHFFFAOYSA-N 323.404 2.117 0 40 DEAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(-n2cnnn2)cc1 12922965 FFCBRLPXAONPHX-CYBMUJFWSA-N 307.357 2.462 0 40 DEAB O=C(CNC(=O)c1ccccc1F)N[C@H]1CCc2ccccc21 12901287 MZCRJBJQDBBNSO-INIZCTEOSA-N 312.344 2.359 0 40 DEAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 13001425 CERMRYNPDNHARK-BJMVGYQFSA-N 312.325 2.204 0 40 DEAB Cc1cccc2nc(CN3CCC[C@H](Cn4cncn4)C3)cn12 69872947 KFPPMDUAKRELDI-HNNXBMFYSA-N 310.405 2.146 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@H](n3ccnc3C)C2)n[nH]1 69899508 OSJIAKSGVUWDSE-AWEZNQCLSA-N 301.394 2.344 0 40 DEAB CCN(CC)CCn1cnc2c([nH]c3cc(OC)ccc32)c1=O 5047297 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C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)CCn1cncn1 69918266 CAFMYZSUKGNLRJ-NSHDSACASA-N 308.332 2.084 0 40 DEAB CO[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C)cc1C 69464048 BHTCQWPCWRBOKU-JSGCOSHPSA-N 322.430 2.178 0 40 DEAB C[C@@H](NCCc1ccccc1)C(=O)NC(=O)NC1CCCCC1 6586859 MEMOSDHVVPGLLJ-CQSZACIVSA-N 317.433 2.366 0 40 DEAB O=C(Nc1cccnc1)c1nn(-c2ccc(F)cc2)ccc1=O 6662042 WHYFQIFTTFFSEP-UHFFFAOYSA-N 310.288 2.019 0 40 DEAB CC(C)(C)[C@@H](O)CN1CCN(Cc2nc3ccccc3o2)CC1 69630513 GSJZOWZHGDFFGG-INIZCTEOSA-N 317.433 2.352 0 40 DEAB Cc1nc2ccc(C(=O)OCC(=O)N3CCCC3)cc2nc1C 6848007 GYGJKWMCFMHQQJ-UHFFFAOYSA-N 313.357 2.026 0 40 DEAB O=C(Nc1cccc(F)c1)C1CCN(c2cnccn2)CC1 4965298 XSSZHJRCEPXHGF-UHFFFAOYSA-N 300.337 2.471 0 40 DEAB O=C(O)[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 70555918 XGCLMQMCYYZKIP-KOLCDFICSA-N 317.794 2.262 0 40 DEAB CC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 8733945 LJOOETQKLJVAQY-HNNXBMFYSA-N 323.780 2.307 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)c(OC)c1 8706657 APMGWPVMVSWBBM-NSHDSACASA-N 322.386 2.138 0 40 DEAB CNC(=O)[C@@H]1CCCN1C(=O)CCNc1ccc(C)c(Cl)c1 80650221 BPBUISKQDOHYKW-AWEZNQCLSA-N 323.824 2.187 0 40 DEAB O=C1[C@H](Nc2ccc(-n3cncn3)cc2)CCN1c1ccccc1 81152179 QRNRGDNUSIEJSI-QGZVFWFLSA-N 319.368 2.485 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)CC(=O)Nc2c(C)n[nH]c2C)c1 90988905 IBAOYTWXDBAFLC-UHFFFAOYSA-N 321.402 2.056 0 40 DEAB O=C(CSc1nnnn1Cc1cccs1)c1ccc[nH]1 8071567 KUBXGBDGJICBPD-UHFFFAOYSA-N 305.388 2.086 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H](C)Cc1c(C)noc1C)C2 72292189 FJTBXUPUTYBKDW-HZMBPMFUSA-N 316.405 2.106 0 40 DEAB COc1ccc(C)cc1NC(=O)Cn1c(=O)cnc2ccccc21 9244968 JBSXZOVKJGAIPY-UHFFFAOYSA-N 323.352 2.352 0 40 DEAB Cc1cnc([C@@H](C)CNC(=O)NC[C@H]2CCN(C3CC3)C2)s1 96013822 ZQFKXXIMLSPDMH-WCQYABFASA-N 322.478 2.339 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)no1 72275537 ZKVALMDVBIBIEB-KBPBESRZSA-N 307.394 2.433 0 40 DEAB COc1ccc(O)c(C(=O)OCC(=O)Nc2cccc(F)c2)c1 9479455 XICRHFXNIGHUSU-UHFFFAOYSA-N 319.288 2.335 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Cn1ccc2c(OC)cccc21)C(=O)O 71745188 OROURRBWEMFANE-ZBEGNZNMSA-N 318.373 2.265 0 40 DEAB O=C(NC[C@@H]1CC(=O)N(CCc2ccccc2)C1)C1CC=CC1 96466852 DKOYNJVMXKPRFD-INIZCTEOSA-N 312.413 2.160 0 40 DEAB CCNS(=O)(=O)c1ccc(Cc2nc(CC(C)C)no2)cc1 97115296 ASCLOAGRZMBOAZ-UHFFFAOYSA-N 323.418 2.157 0 40 DEAB Cc1cccn2c(CNc3ccc(S(C)(=O)=O)nc3)cnc12 97115588 NPXMHAJZAALQRB-UHFFFAOYSA-N 316.386 2.053 0 40 DEAB CC(C)C(=O)N1CCN(Cc2nc(C(F)(F)F)cs2)CC1 84370545 RUFFQTZUFDJFHJ-UHFFFAOYSA-N 321.368 2.462 0 40 DEAB Cc1occc1CNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 78973522 XGISPMCQOWNUGC-ZDUSSCGKSA-N 302.378 2.096 0 40 DEAB CO[C@](C)(C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 95417032 HPJUYDOUQWZWJN-HKUYNNGSSA-N 313.397 2.268 0 40 DEAB COc1ccc([C@H](C)[C@@H](C)NCC2(C(N)=O)CCOCC2)cc1 95420234 YBHHQYDNVRTGEF-ZIAGYGMSSA-N 320.433 2.059 0 40 DEAB CCn1nnnc1-c1cccc(NCc2nc(C)ccc2O)c1 95429236 QNYIGMNMMNSLFV-UHFFFAOYSA-N 310.361 2.381 0 40 DEAB CCOc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1OC 84810554 OPMQAHURBBTMAP-INIZCTEOSA-N 320.433 2.442 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cc1cccc(F)c1 95980310 BWERDKFZFOGGOA-HNNXBMFYSA-N 317.364 2.308 0 40 DEAB COc1cc(CCN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1O 95988066 VMWDMCDAGNXBBI-XYPHTWIQSA-N 303.402 2.491 0 40 DEAB C[C@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)CC1(C)OCCO1 95965498 KHCOLXKYPHKBMG-SOUVJXGZSA-N 308.422 2.383 0 40 DEAB CC(C)n1ccnc1CN1CCC[C@@H]1CC(=O)c1cnn(C)c1 95977660 YHTFETXWYOLJAM-OAHLLOKOSA-N 315.421 2.435 0 40 DEAB Cc1cnc([C@@H](NC(=O)NCCN(C)C2CC2)C2CC2)s1 74200502 DTZSCEMXHIJKTJ-ZDUSSCGKSA-N 308.451 2.296 0 40 DEAB COCCN(Cc1cccs1)C(=O)c1ccc(C)[nH]c1=O 75120983 KRNMNIXZVDUOAM-UHFFFAOYSA-N 306.387 2.034 0 40 DEAB CC(C)[C@H](NC(=O)N(C)CC1CCC1)c1nnc2n1CCC2 89801890 HKIUTIJEULSYPK-AWEZNQCLSA-N 305.426 2.363 0 40 DEAB COCCCN1CCC(NC(=O)N2C[C@H](C)CC[C@H]2C)CC1 89922697 GJORGTWRGADFIB-HUUCEWRRSA-N 311.470 2.317 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 119951116 GCVBBJOCKGULGF-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB COc1cc(CO)c(Br)c(Br)c1O 564516 YEZYWTTWXJRYOP-UHFFFAOYSA-N 311.957 2.418 0 40 DEAB biogenic Cc1ccc(CCC(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)o1 548670182 KKBTYALLLYRYEC-CJNGLKHVSA-N 317.389 2.291 0 40 DEAB Nc1ccc(Nc2ccc(Cn3cncn3)cc2)c(C(=O)O)c1 408712865 XSJCICJESBIGAJ-UHFFFAOYSA-N 309.329 2.350 0 40 DEAB Cc1cn[nH]c1[C@@]1(C)CCCN(S(=O)(=O)c2ccccc2)C1 72388848 ISKVWAGGHBMLLO-INIZCTEOSA-N 319.430 2.461 0 40 DEAB CC(C)CS(=O)(=O)NCC1(c2cccs2)CCOCC1 38593350 VEVLSNACXUSOEP-UHFFFAOYSA-N 317.476 2.372 0 40 DEAB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2nc[nH]c2C1 1565524924 YBTXCQDOVHTYFG-UHFFFAOYSA-N 313.386 2.164 0 40 DEAB C[C@H]1CN(Cc2cccc(NC(=O)c3cc[nH]n3)c2)C[C@H](C)O1 78152548 MFFRRAWVYVNTJS-STQMWFEESA-N 314.389 2.271 0 40 DEAB O=C(OC[C@@H]1CCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 78446353 ZIXMFIOCXWBJHP-KBPBESRZSA-N 308.399 2.084 0 40 DEAB COC(=O)c1cccc(NC(=O)COc2cccc(OC)c2)c1 40946388 GQCPVRAJJRIRKJ-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB C[C@@](O)(CNC(=O)c1cc2ccccc2oc1=O)c1ccco1 75156227 SQYPIXOFZJMOTB-QGZVFWFLSA-N 313.309 2.024 0 40 DEAB OCc1ccc(CN2CC[C@H](c3nnc(-c4ccco4)o3)C2)o1 49169491 TVZHKMQARUAFOT-NSHDSACASA-N 315.329 2.404 0 40 DEAB biogenic,in-vitro CC(=O)Nc1ccc([C@H](C)NC[C@H](C)N2CCOC[C@H]2C)cc1 221360318 KJJIHTWDAAPXTB-ZNMIVQPWSA-N 319.449 2.405 0 40 DEAB CC(C)C[C@@]1(C)CC(=O)N(Cc2cn3cccnc3n2)C1=O 193646331 UUYSJENHVUWIDB-INIZCTEOSA-N 300.362 2.041 0 40 DEAB Cc1oc(-c2ccccc2)nc1Cn1ccnc1S(C)(=O)=O 96447799 XLVDVWVRYLFJMY-UHFFFAOYSA-N 317.370 2.298 0 40 DEAB C[C@H]1C[C@H]2CN(C(=O)c3cccc4c3OCCO4)CC[C@H]2O1 96043581 ZJPROPFCVDDHLR-SGMGOOAPSA-N 303.358 2.097 0 40 DEAB C[C@H](Sc1ncc(CO)n1C)C(=O)N[C@H](C)c1ccccc1 96444642 XATZVKHQZBCVAQ-NEPJUHHUSA-N 319.430 2.270 0 40 DEAB O=C(c1ccccn1)N1CC2(CCN(Cc3ccsc3)C2)C1 96046496 WBHKJZDOFTZXEW-UHFFFAOYSA-N 313.426 2.491 0 40 DEAB CN1Cc2ncn(CC3CC3)c2[C@H](COCC2CCOCC2)C1 96045168 HVPRNOWWUJVPDP-INIZCTEOSA-N 319.449 2.265 0 40 DEAB c1cnc(NC[C@H]2OC[C@@H]3CCN(Cc4ccoc4)C[C@H]23)nc1 96185520 MPZZRUKINQUMAQ-HRCADAONSA-N 314.389 2.019 0 40 DEAB Cc1noc(C[C@H]2C[C@H]3CN(Cc4ccc(C)o4)C[C@H]3O2)n1 96218612 QDNYSVDFVAWPEM-NWANDNLSSA-N 303.362 2.111 0 40 DEAB CC(C)c1cc(C(=O)NC2CCCC2)nc(N2CCOCC2)n1 96100962 KZFHXVZJOKUTIY-UHFFFAOYSA-N 318.421 2.109 0 40 DEAB COc1c(C(=O)NC2CCCC2)nnn1Cc1ccccc1 96183461 SYOAZSFKEYWZIP-UHFFFAOYSA-N 300.362 2.007 0 40 DEAB O=C(c1ccncn1)N1Cc2nccn2C[C@@H]1c1ccccc1 257252121 JTQBTDKMYVEYIM-OAHLLOKOSA-N 305.341 2.070 0 40 DEAB O=C1CO[C@H]2CCN(Cc3cccc4ccccc34)CC[C@@H]2N1 257236861 HEBMOFGVEHDNMW-ROUUACIJSA-N 310.397 2.319 0 40 DEAB Cc1cc(N2CCC[C@H]2c2cnc(-c3ncc[nH]3)cn2)ncn1 257226460 FKRQSILZNVTKGW-AWEZNQCLSA-N 307.361 2.307 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1F 252497980 QSVRDTMHIFYQBU-UHFFFAOYSA-N 319.308 2.430 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Nc1cnc(-n2ccnc2)nc1 85555525 NBCWJWBIWAFGAZ-UHFFFAOYSA-N 313.748 2.497 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)N1CCC(C)=C(C)C1 280673391 BZUSDXFADXJFPZ-UHFFFAOYSA-N 315.416 2.266 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1C[C@H](O)C[C@@H]1c1ccccc1 579092454 UAIFBWKVZGQXHH-HZPDHXFCSA-N 309.369 2.302 0 40 DEAB CC(C)=CC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 57260409 CRHVBGZSSBZHQS-OAHLLOKOSA-N 301.390 2.041 0 40 DEAB Nc1cc2c(cc1Br)CN(C(=O)C(F)(F)F)CC2 96321459 CHVHTUOVKWJGJU-UHFFFAOYSA-N 323.112 2.478 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1cccc(Br)c1 37793012 VXMYYYBZPYATJJ-XROYCOCOSA-N 312.163 2.347 0 40 DEAB COc1cc([C@H](C)NCC(C)(C)C2(O)CCOCC2)ccn1 566474752 HYJUAEFIYODFEO-ZDUSSCGKSA-N 308.422 2.309 0 40 DEAB COc1ccc(/C=C/C(=O)NC(=S)NCc2ccco2)cc1 13984131 GBBYCQDZCMHITL-RMKNXTFCSA-N 316.382 2.492 0 40 DEAB O=C(Cn1cncn1)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373835 XCQUAXRYBXKOCY-MVJTYMMSSA-N 310.401 2.367 0 40 DEAB O=C(c1ccccn1)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 19403024 QTZYYOLSEUAKKL-GFCCVEGCSA-N 321.340 2.156 0 40 DEAB CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 6326317 FYBOOFZJNAUQQB-WDZFZDKYSA-N 308.359 2.088 0 40 DEAB CC(C)Cc1ccccc1CNC(=O)N[C@H]1CCC(=O)N(C)C1 527772690 MKSLGINRMLTPNE-INIZCTEOSA-N 317.433 2.305 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)c1ccsc1 1888944478 IWKHDKVEDYJIHE-OAHLLOKOSA-N 313.382 2.397 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3cnoc3C)C2)nc1 1776001276 JFWWCVDXZRDLSE-ZDUSSCGKSA-N 316.361 2.013 0 40 DEAB Fc1ccc(CN2C[C@@H]3CN(c4ncccn4)C[C@H]3C2)cc1F 1204225472 XWDDZZJYTFEHNV-ZIAGYGMSSA-N 316.355 2.323 0 40 DEAB CC1CC(C(=O)N2CCO[C@H]3[C@@H](Oc4ccccn4)CC[C@@H]32)C1 1565548607 GETOXWWTBTYUGQ-XRLSCXDPSA-N 316.401 2.265 0 40 DEAB CC1CC(C(=O)N2Cc3[nH]nc(COc4cccnc4)c3C2)C1 1565548356 AZYKFGVQGFNSAU-UHFFFAOYSA-N 312.373 2.272 0 40 DEAB O=C(Nc1cccc(Cl)c1)C1=CC(=O)N2CCN=C2S1 520572 KAGXXZDLVYMHSM-UHFFFAOYSA-N 307.762 2.107 0 40 DEAB COc1ccc(C(=O)Nc2c(C)nc3sccn3c2=O)cc1 8902619 VSNAODCGCKMDCK-UHFFFAOYSA-N 315.354 2.325 0 40 DEAB O=C(NCc1cn(-c2cccs2)nn1)c1cc(C2CC2)on1 585149627 IKCDYVCRZRXTFC-UHFFFAOYSA-N 315.358 2.124 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N(C)Cc2cnn(C)c2)n1 50121290 NVANLYNVHYZYDP-UHFFFAOYSA-N 307.785 2.259 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 31774 CEOZVTZDOVCKNX-KGLIPLIRSA-N 305.374 2.256 0 40 DEAB Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCSC1=O 81290 HHQWECCFOMGHDW-LLVKDONJSA-N 302.355 2.412 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 41128178 TXVREYVSCWHXCJ-AWEZNQCLSA-N 310.353 2.426 0 40 DEAB CC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 32809296 WTWDQVYOSYCKPI-CYBMUJFWSA-N 302.374 2.332 0 40 DEAB NC(=O)c1ccsc1NC(=O)CCN1CCc2ccccc21 32870704 XXPSLTLTFKKZOK-UHFFFAOYSA-N 315.398 2.238 0 40 DEAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1 4121635 INNBGZYVIPYMGZ-LLDVTBCESA-N 313.353 2.308 0 40 DEAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(C[C@@H]2CCCCO2)C1=O 21736723 WAHLZCKCSUMYKX-MEDUHNTESA-N 324.327 2.301 0 40 DEAB CCn1ncc(C2=NO[C@H](C(=O)NCc3ccccc3)C2)c1C 4435801 WOLPDLDVVLJEAU-INIZCTEOSA-N 312.373 2.021 0 40 DEAB Cc1cc2nnc(S[C@@H](C(N)=O)c3ccccc3)n2c(C)n1 32922519 LZYKFZJNHQLANQ-CYBMUJFWSA-N 313.386 2.060 0 40 DEAB CC(=O)Nc1ccc(OC[C@@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 6455362 VRBMFTHOXXVRCP-CPUCHLNUSA-N 320.433 2.363 0 40 DEAB CCCCCOC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 7881357 XYCBXTYBRIMDEE-CYBMUJFWSA-N 319.357 2.471 0 40 DEAB CN(C)c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 2706879 OOIQVPYPNKWHQR-INIZCTEOSA-N 310.353 2.473 0 40 DEAB CCNC(=O)[C@H](C)Sc1nnc(-c2cccc(OC)c2)n1C 17711140 GVRZTDKSUSWIJW-JTQLQIEISA-N 320.418 2.107 0 40 DEAB CC(=O)c1c(C)cc(C)c(Cn2cnnc2[S@@](C)=O)c1C 103923002 SXTLDFQMZJGTKB-NRFANRHFSA-N 305.403 2.192 0 40 DEAB Cc1cc(C)n2c(CN(C)CC(=O)Nc3ccccc3)cnc2n1 91901957 DBVIEWKSFMOLRG-UHFFFAOYSA-N 323.400 2.417 0 40 DEAB NC(=O)[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 54551163 VBPOWFAOMBPOCX-GOSISDBHSA-N 308.381 2.061 0 40 DEAB CN(C)C(=O)c1nnc2sc(-c3ccccc3Cl)nn12 57354711 QNINEPVUVLONOZ-UHFFFAOYSA-N 307.766 2.208 0 40 DEAB CCn1cc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 28235868 ZNJTVVKCCQSLCJ-KRWDZBQOSA-N 312.417 2.184 0 40 DEAB c1ccc(N2CC[C@H](CNC[C@H]3CNc4ccnn4C3)C2)cc1 106670510 NVNAANUVDAYOEL-CVEARBPZSA-N 311.433 2.041 0 40 DEAB COCCn1c(S[C@H]2CCN(C)C2=O)nc2ccccc21 78756775 GWVCFBQLZQZFSI-ZDUSSCGKSA-N 305.403 2.006 0 40 DEAB C[C@H]1CCCN(CCNC(=O)c2ccc(-c3ncon3)cc2)C1 107220027 DUZSWLWDFSEMDN-ZDUSSCGKSA-N 314.389 2.198 0 40 DEAB C[C@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccn1 28782530 UBUMMWJBPQWRJN-LBPRGKRZSA-N 311.341 2.257 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 26295201 UIWHYEDCNJMTEY-MNOVXSKESA-N 321.343 2.014 0 40 DEAB Fc1ccc(N2CCN(CN3CCSC3=S)CC2)cc1 20528699 ZIIPJPDHCDRRMB-UHFFFAOYSA-N 311.451 2.239 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@H]1C=C[C@@H]2C12CC2 100184379 MVROWXTYGUZCIV-JURCDPSOSA-N 323.348 2.175 0 40 DEAB CC(C)(C)C(=O)[C@](CO)(Oc1ccc(Cl)cc1)n1cncn1 3291323 RMUUMCXJLIRYNU-HNNXBMFYSA-N 323.780 2.271 0 40 DEAB C[C@H](C(=O)NC[C@@H](c1ccco1)N1CCCCC1)n1cccn1 44669299 BEDXOYJNVGHOQJ-CABCVRRESA-N 316.405 2.381 0 40 DEAB CC(C)(C)OC(=O)N1CCN(Cn2cc(Cl)cn2)CC1 48290325 HICQWXCSTUBNNE-UHFFFAOYSA-N 300.790 2.047 0 40 DEAB CCc1nnsc1C(=O)NCCCCN1CCCC[C@H]1C 44941686 QVSVRXMGPBAAHP-GFCCVEGCSA-N 310.467 2.485 0 40 DEAB Cn1ccc(NC(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 58394323 KHHKRZLQYFESLD-NSHDSACASA-N 308.382 2.006 0 40 DEAB O=S(=O)(NCc1ccc(N2CCCC2)nc1)c1ccccc1 28040928 YCLSXGVRLDFEMJ-UHFFFAOYSA-N 317.414 2.160 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCCO3)n2)cc1 2216921 HUHPPGGUEUVZDO-AWEZNQCLSA-N 315.373 2.273 0 40 DEAB CN(C1CCNCC1)S(=O)(=O)c1c(Cl)cccc1Cl 36300192 DOUSDWWFLTYVQQ-UHFFFAOYSA-N 323.245 2.366 0 40 DEAB CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)Nc2ccncc2)CC1 62639914 LVKNNQGTHMHPBV-CYBMUJFWSA-N 318.421 2.486 0 40 DEAB Cc1cc(C(=O)CSc2nc(N)cc(N)n2)c(C)n1C1CC1 3510294 KZOJADBWAIIGOZ-UHFFFAOYSA-N 317.418 2.369 0 40 DEAB CSc1nnc(CN2C(=O)N[C@@](C)(CC(C)C)C2=O)s1 49418299 VDQLPXCMRLBOAT-LBPRGKRZSA-N 314.436 2.117 0 40 DEAB CN(C(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C1CCCCC1 216248665 WMVVEDMSEMPUFS-GASCZTMLSA-N 318.417 2.119 0 40 DEAB COc1ccc(NC(=O)COCC(=O)N2CCCCCC2)cc1 13942236 ZDCNSHNPPZFWGV-UHFFFAOYSA-N 320.389 2.053 0 40 DEAB O=C(NCCc1nc2c(s1)CCCC2)Nc1nncs1 65547533 BBZWRPCPYRLRKQ-UHFFFAOYSA-N 309.420 2.238 0 40 DEAB CCCC(=O)Nc1ccc(C(=O)N2CCN(CC)CC2)cc1 4681283 JNALZXUGFYDUBE-UHFFFAOYSA-N 303.406 2.203 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)c1cc(=O)c2ccccc2o1 66137513 BFBSVWFVMYAMTJ-LBPRGKRZSA-N 302.374 2.253 0 40 DEAB CN(CC1CC1)c1ncc(C(=O)N2CCOCC2)cc1Cl 66387058 CWNNQHSIOFTGNE-UHFFFAOYSA-N 309.797 2.054 0 40 DEAB O[C@@H]1Cc2ccccc2[C@@H]1Nc1ncc(Br)cn1 67371437 APFXCEXAUCDYLR-NEPJUHHUSA-N 306.163 2.309 0 40 DEAB Cn1cc([C@H]2NC(=O)c3ccccc3N2)c(-c2ccncc2)n1 67963254 AWTSYSLAAZTCNB-MRXNPFEDSA-N 305.341 2.336 0 40 DEAB O=C(COc1ccc2c(c1)OCCO2)NCc1ccc(F)cc1 9364293 RRDPDSIFYQOZBB-UHFFFAOYSA-N 317.316 2.292 0 40 DEAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccc[nH]2)cc1C 8251852 CNPCSTXYDZEEAT-UHFFFAOYSA-N 315.329 2.137 0 40 DEAB C[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1CN1CCCCC1 69529059 AVFPNYHPJMKUKI-DLBZAZTESA-N 307.482 2.338 0 40 DEAB C[C@H](NC[C@H]1CN(C)CCO1)c1ccccc1Br 69527497 MNAVEJXPXJQNNX-RYUDHWBXSA-N 313.239 2.430 0 40 DEAB CC(C)c1nc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)no1 72232119 ACYMKQYLOIQMDF-QWHCGFSZSA-N 307.394 2.468 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@H](n3nc(C)nc3C)C2)cn1 72235496 PXUJBVIHNCKPBR-INIZCTEOSA-N 313.405 2.005 0 40 DEAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)NCCc1cccs1 96967577 YTNUKFWDRLYZIE-LLVKDONJSA-N 317.414 2.006 0 40 DEAB CCOC(=O)c1cccnc1N1CCC[C@H](n2cccn2)C1 97140684 XDGMFQKWSHLKDR-ZDUSSCGKSA-N 300.362 2.296 0 40 DEAB O=C(CCn1ccc2ccccc21)NC[C@]1(O)CCSC1 72310442 MFNAUKAJYHFXPU-MRXNPFEDSA-N 304.415 2.016 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)C[C@H]3C=CCC3)CCO2)n1 78889140 SOKFIEBRKPPOEH-STQMWFEESA-N 304.394 2.184 0 40 DEAB C[C@H](OC(=O)C1CCOCC1)c1c(F)cccc1-n1cncn1 95405037 LKXZZWQKWXYBKO-NSHDSACASA-N 319.336 2.437 0 40 DEAB COc1cc2c(cc1CNc1ncnc3[nH]cnc13)O[C@@H](C)C2 95430821 RAUHKECARMXELA-VIFPVBQESA-N 311.345 2.297 0 40 DEAB Cc1ccc(OC[C@@H](C)NC(=O)N(C)C[C@@H]2CCOC2)cc1 95408145 CPTSGFQLJNNIBK-CABCVRRESA-N 306.406 2.440 0 40 DEAB COc1cccc(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)c1O 95404457 IWESGFLHVRAVBO-QGZVFWFLSA-N 319.357 2.248 0 40 DEAB Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)C2=CCCC2)s1 95966080 VNEYSANJRIRWHZ-NSHDSACASA-N 323.443 2.402 0 40 DEAB O=C([C@@H]1OCCc2ccccc21)N1CCCC[C@@H]1c1nc[nH]n1 95989309 OLPDARSYLSPXMU-HUUCEWRRSA-N 312.373 2.172 0 40 DEAB Cc1nc2ncnn2c(N[C@H](CCO)c2cccs2)c1C 75145303 ATOJAQONWOZJRS-LLVKDONJSA-N 303.391 2.338 0 40 DEAB C[C@@H](C(=O)NCc1cccs1)N1CCC[C@@H]1Cn1cccn1 75131912 YGARVWHMAVUFQU-UONOGXRCSA-N 318.446 2.114 0 40 DEAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2Nc1ccc2nnnn2n1 89857760 BMIJCKXYYWPQLJ-LBPRGKRZSA-N 308.345 2.378 0 40 DEAB CCNC(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89977415 HLVFNSXFRVUQHD-MNOVXSKESA-N 315.200 2.349 0 40 DEAB COCc1nc(C(=O)Nc2ccc(C(F)(F)F)nc2)co1 548192318 WDRYHZQZKFFBQM-UHFFFAOYSA-N 301.224 2.487 0 40 DEAB CCCCOCCOCCNCCOCCOCCCC 30836381 MUTJPUHESFEGIZ-UHFFFAOYSA-N 305.459 2.243 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc2ccccc2o1 71837431 HDYFAXLUGOCJHK-OAHLLOKOSA-N 307.353 2.240 0 40 DEAB COCCOCC(=O)N1CCC(c2ccc(F)c(F)c2)CC1 78550987 XDTSFTLKTIGNKT-UHFFFAOYSA-N 313.344 2.334 0 40 DEAB Cc1cc(C(=O)NCC2CCN(c3cnccn3)CC2)c(C)o1 70930262 OZEYKPNWWXZAEB-UHFFFAOYSA-N 314.389 2.333 0 40 DEAB CC(C)[C@H](N)C(=O)N1CC[C@@H](N(Cc2ccccc2)C(C)C)C1 79415884 VZXIAQORMWPDFR-MSOLQXFVSA-N 317.477 2.481 0 40 DEAB CC[C@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217415842 QEJLPIAUQAACEJ-JTQLQIEISA-N 314.407 2.282 0 40 DEAB C[C@@H]1NC(=S)N([C@@H](c2ccc3c(c2)OCCO3)C2CC2)C1=O 79925309 FZFNBIDNRGGQCK-LKFCYVNXSA-N 318.398 2.014 0 40 DEAB O=C(C1CCCCC1)N1CCC(NC(=S)NC2CC2)CC1 36844870 XLRVKBHOIFQIRD-UHFFFAOYSA-N 309.479 2.184 0 40 DEAB CC(C)(F)C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1 182000894 PPIZIJDADVVEJU-CQSZACIVSA-N 306.381 2.084 0 40 DEAB O=C(NCCCN1CCCC1)C1(c2ccccc2)CCOCC1 75515380 VBIZVDDIBLDTPF-UHFFFAOYSA-N 316.445 2.337 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@@H](O)C(C)(C)C)cc1Cl 79029068 WWLIRZKQDKJAAD-GFCCVEGCSA-N 312.797 2.110 0 40 DEAB O=C(O)[C@H](CNC(=O)[C@@H]1CCc2cc(F)ccc21)CC1CC1 563448980 DJAYSYFJCUTAKO-SWLSCSKDSA-N 305.349 2.473 0 40 DEAB O=C(Nc1cnc(-n2cccn2)nc1)c1ccc(F)cc1F 224244489 BPOJUDOFDFMGIM-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB C[Si](C)(C)CSc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1 195529949 UICZCNOVJVFGCT-VIFPVBQESA-N 320.512 2.016 0 40 DEAB Cc1cc(C(=O)N2CCC(Oc3cnccn3)CC2)c(C)o1 85557253 NJCDGSXXUKZEGU-UHFFFAOYSA-N 301.346 2.370 0 40 DEAB O[C@@H](Cn1nnnc1Cc1ccccn1)c1ccccc1Cl 193436537 YNNCKLUSCWRHGD-AWEZNQCLSA-N 315.764 2.046 0 40 DEAB CCN1CCC[C@H]1CNC(=O)CCc1ccc2c(c1)CCO2 95472318 BKAPTTHKMCFGGT-INIZCTEOSA-N 302.418 2.155 0 40 DEAB CCN1Cc2nccn2C[C@H](COCc2csc(C)n2)C1 96188105 SWIURJDSDGYVNY-CYBMUJFWSA-N 306.435 2.317 0 40 DEAB CN1CCC[C@H](N2CCN(CCSc3ccccc3)CC2)C1 96410346 HPOHXEGMFAORGH-KRWDZBQOSA-N 319.518 2.491 0 40 DEAB CC[C@H](C(=O)N[C@@H](C)c1ccccc1N1CCOCC1)N(C)C 95450483 HNCNIYNHULJZBC-GOEBONIOSA-N 319.449 2.041 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96222191 OAWXNECMEAIZNS-WMZOPIPTSA-N 318.417 2.058 0 40 DEAB CCOc1ccc(C(=O)NCc2nc(C)cc(N(C)C)n2)cc1 96120950 OTPDUZWRKCCTAY-UHFFFAOYSA-N 314.389 2.180 0 40 DEAB C[C@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)[C@@H]1CCCO1 96493974 VWBFADORYOCZRS-UAGQMJEPSA-N 318.417 2.207 0 40 DEAB CC(=O)c1ccc(CNC(=O)[C@H]2COc3ccccc32)nc1C 96486128 UGMBYBQLFIPKAY-INIZCTEOSA-N 310.353 2.385 0 40 DEAB CCOc1ccc([C@H]2Cn3nnc(C(=O)O)c3CO2)cc1Cl 98212708 VIVZFZWFDRIQKD-GFCCVEGCSA-N 323.736 2.300 0 40 DEAB O=C(Nc1cccc2[nH]ccc12)c1cccc(-n2cnnn2)c1 95476807 HKMXMMYVYIITSN-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 243430927 MZEKVSYZUCFCNY-ZDUSSCGKSA-N 318.417 2.462 0 40 DEAB COC[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 247893129 UDTMGMXKKNTIBO-QGZVFWFLSA-N 301.390 2.103 0 40 DEAB Cc1c(CN2CCCC[C@@H]2c2ccnc(N(C)C)n2)cnn1C 257253208 JXYBYBJXVKQLFR-MRXNPFEDSA-N 314.437 2.312 0 40 DEAB CCCn1cc(CNCc2ccn(CC(F)(F)F)n2)cn1 256054338 VXZXTAHHIRKTTP-UHFFFAOYSA-N 301.316 2.342 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257281404 OPAHPMPXTVUYIZ-CYBMUJFWSA-N 324.388 2.020 0 40 DEAB CCn1nccc1CCN1CCNC(=O)C[C@H]1c1ccccc1 253421349 VDVACIKXBFPQTH-KRWDZBQOSA-N 312.417 2.009 0 40 DEAB Cc1c(CN2CC[C@H](Oc3ccccc3)[C@@](C)(O)C2)cnn1C 257279864 OIMOYBYBGVXCLW-ROUUACIJSA-N 315.417 2.133 0 40 DEAB CN1CCCC[C@@]1(C)C(=O)N1CCC(C)(c2ccn[nH]2)CC1 257240419 HTJWMAKCVXPISU-KRWDZBQOSA-N 304.438 2.164 0 40 DEAB CCO[C@H]1C[C@@](NC(=O)c2ccc(OC)cc2)(C(=O)O)C1(C)C 262693192 CREUFFQZFMUQAP-SUMWQHHRSA-N 321.373 2.083 0 40 DEAB CC(C)CCNC(=O)C(=O)NCc1ccccc1OC(C)C 298105479 MVUNIUHSFXBWQO-UHFFFAOYSA-N 306.406 2.252 0 40 DEAB O=C(Cc1cccnc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390826766 BQLQEEIXCMXMLM-HNNXBMFYSA-N 300.362 2.028 0 40 DEAB O[C@@H]1[C@@H](NCCN2CCCCC2)CCC[C@H]1Oc1ccccc1 585289541 RIBYAXUUANOEMW-IPMKNSEASA-N 318.461 2.423 0 40 DEAB CS[C@H](C)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 44952231 KGIKAMRPSPQQBA-NEPJUHHUSA-N 308.451 2.420 0 40 DEAB CC(C)NC(=O)CCNC(=O)N[C@H]1CCCOc2ccccc21 58341595 OAXHYBSBGUMMQG-AWEZNQCLSA-N 319.405 2.114 0 40 DEAB CNC(=O)CNC(=O)N[C@@H](CC(C)C)c1ccc(Cl)cc1 73501043 FUEKDPKFYNGDMA-ZDUSSCGKSA-N 311.813 2.472 0 40 DEAB COc1cccc([C@H]2C[C@H]2C(=O)N2CCN(C3CC3)CC2)c1 83973263 LESZWOVBSINWMF-IAGOWNOFSA-N 300.402 2.105 0 40 DEAB Oc1nc(-c2cnccn2)nc2c1CN(C[C@H]1CC=CCC1)CC2 13268139 NXSCWPYZPIHELR-ZDUSSCGKSA-N 323.400 2.354 0 40 DEAB CCCCCCC1O[C@H](C(=O)OCC)[C@H](C(=O)OCC)O1 18038219 AWQSXWGGHSDENG-YHWZYXNKSA-N 302.367 2.193 0 40 DEAB O=C(Nc1cccc([C@@H]2CCc3nncn3C2)c1)c1cnccn1 19699151 WZMFTXAICFTMHM-CYBMUJFWSA-N 320.356 2.050 0 40 DEAB COCCNC(=O)c1ccc(OC)c(-c2ccc(F)cc2)n1 19872913 VAZVSLRRCXGJJV-UHFFFAOYSA-N 304.321 2.273 0 40 DEAB Clc1cccc(N2CCN(Cc3nnc4n3CCC4)CC2)c1 1888863624 CMHBOQRQEZHZGK-UHFFFAOYSA-N 317.824 2.200 0 40 DEAB Cc1csc(NS(=O)(=O)c2cc(C(=O)O)ccc2F)n1 21815348 BJRQWPVFCMMTCX-UHFFFAOYSA-N 316.335 2.090 0 40 DEAB CCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1 2711430 WYFVELCMGGDHDN-UHFFFAOYSA-N 302.396 2.080 0 40 DEAB COc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)c1 5251209 GLWVCTGBIFGEPW-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(O)cc1 100857153 YAEQXFNQZMTOMW-AWEZNQCLSA-N 300.289 2.275 0 40 DEAB Cc1ccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@@H]3C)c(O)nc2c1 101063785 BJGGPNNGHSJMMY-NWDGAFQWSA-N 315.373 2.017 0 40 DEAB CN(Cc1ccccc1Cl)C(=O)NCCC(=O)N1CCCC1 40498136 UJAJTSGUWKWOOP-UHFFFAOYSA-N 323.824 2.494 0 40 DEAB O=C1NC(=O)/C(=C/c2cc(Br)ccc2O)S1 20435667 PSQSTFZMHNPPMY-YWEYNIOJSA-N 300.133 2.479 0 40 DEAB Cc1nn2c(=O)cc(CN3c4ccccc4C[C@H]3C)nc2s1 40549381 GMSZBPAUCGDDKP-SNVBAGLBSA-N 312.398 2.411 0 40 DEAB CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 101181240 IOFUFMMFEROPMG-NBUQLFNLSA-N 301.342 2.221 0 40 DEAB CC[C@@H](C)Oc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101347916 WEVYQNOECMTEGQ-MFKMUULPSA-N 314.345 2.439 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 36983369 ZKZAAQOSAHCUEV-SNVBAGLBSA-N 317.794 2.134 0 40 DEAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)/N=c1/sccn1C 29650093 ZULSBGLHISMHSW-JCNXWTJJSA-N 313.382 2.029 0 40 DEAB CN1N=C(C(=O)Nc2ccc(Nc3ccccc3)nc2)CCC1=O 60332448 ZBAMWGOLGYHBJS-UHFFFAOYSA-N 323.356 2.372 0 40 DEAB O=S1(=O)CC[C@@H](NCc2ccc(-c3ccc(F)cc3)o2)C1 11914270 VCOFIRPFXLYKED-CYBMUJFWSA-N 309.362 2.362 0 40 DEAB O=C(COC(=O)c1cccnc1Cl)NCc1ccc(F)cc1 2636532 ZBBOZLLAQKWZGI-UHFFFAOYSA-N 322.723 2.347 0 40 DEAB Nc1ccccc1N1C(c2ccccc2)=CC(=O)N2CCN=C21 1865710 SHYPARKOSKWFBJ-UHFFFAOYSA-N 304.353 2.328 0 40 DEAB O=C(CN1CCc2sccc2C1)N1CCO[C@H]2CCCC[C@@H]21 52432749 ZCXPFHRXHQSPAR-GJZGRUSLSA-N 320.458 2.276 0 40 DEAB O=C(NCc1cccnc1)Nc1ccc(-n2cncn2)c(F)c1 52497626 BQIKCRCBTNOUSJ-UHFFFAOYSA-N 312.308 2.123 0 40 DEAB C[C@H]1CN(C(=O)COC(=O)c2cc3ccccc3o2)C[C@H](C)O1 4362524 BFBXZHPVSUVFEI-RYUDHWBXSA-N 317.341 2.225 0 40 DEAB Cc1noc(CCCC(=O)N2CCC[C@H]2c2cc(C)on2)n1 46765171 KSNLSZKPSULOPB-ZDUSSCGKSA-N 304.350 2.361 0 40 DEAB CCc1ccccc1NC(=O)Cc1nc2nc(C)cc(C)n2n1 32915774 QEUIINRTPVCZEX-UHFFFAOYSA-N 309.373 2.485 0 40 DEAB CCn1nnnc1NCc1cc(Br)ccc1OC 8339949 RBQMMQSTBVQUKA-UHFFFAOYSA-N 312.171 2.076 0 40 DEAB CC[C@@H](C)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 97045886 PJRAQXZMEMPABL-CYBMUJFWSA-N 305.422 2.293 0 40 DEAB CC(C)(C)NC(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 97014250 IQUCVMDVWLHLML-UHFFFAOYSA-N 318.826 2.211 0 40 DEAB O=C1CC[C@@H](COC(=O)c2ccc(OC(F)(F)F)cc2)N1 97028427 VMAIRHGMSZJWEI-VIFPVBQESA-N 303.236 2.021 0 40 DEAB CCCc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 102338764 OISMPAIMYAZNKP-XQLPTFJDSA-N 303.358 2.456 0 40 DEAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(N)=O)c1ccccc1 22688687 LKVOPEWEWJLDPX-CJNGLKHVSA-N 311.385 2.143 0 40 DEAB O=C(Nc1cccc2[nH]cnc12)[C@H]1CCCN(c2ncccn2)C1 72288802 RYFOLRNENGSWSD-LBPRGKRZSA-N 322.372 2.208 0 40 DEAB O=C([C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)N1CCCCC1)N1CCCCC1 104185458 BEKLOWLYNRUKBQ-LUKYLMHMSA-N 316.445 2.450 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)Nc1ccc(OC(F)F)c(F)c1 47714053 NXGOWVLPAZJCSG-ZETCQYMHSA-N 319.283 2.073 0 40 DEAB CNC(=O)c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 76092486 VRJRIKNXPAZVQC-UHFFFAOYSA-N 323.303 2.152 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)Cc2c(C)noc2Cl)no1 76046504 DTZVZJJDTRGMBH-JTQLQIEISA-N 310.741 2.234 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)c1)Nc1nccs1 42758686 LZIZBCJQWOUKCB-UHFFFAOYSA-N 303.391 2.460 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100179736 GIGSGDYORBGHQR-KPLDXPABSA-N 323.348 2.169 0 40 DEAB COc1ccccc1/C=C/CNC[C@H]1CN(C2CC2)CCO1 106379453 RPYMJBFQYLVETI-YXMMZVCTSA-N 302.418 2.161 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)CCc3nccs3)C2)n1 55320019 LRDFDQNZQZNXHR-LLVKDONJSA-N 306.391 2.173 0 40 DEAB O=C(Nc1ccnc2ccnn12)c1ccc(Cn2cccn2)cc1 76640340 VOIJFCCDBLNFMU-UHFFFAOYSA-N 318.340 2.226 0 40 DEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCc1ccccc1)OC2=O 100260464 SOORSLZWGVPORC-QZTJIDSGSA-N 301.386 2.467 0 40 DEAB C[C@@H]1COCCN1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 57188530 KBQSFQXWNKUSRY-KCXAZCMYSA-N 322.380 2.476 0 40 DEAB CC(C)c1cc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)[nH]n1 58159187 ZAGBXKVECUJKIJ-NSHDSACASA-N 316.361 2.113 0 40 DEAB c1ccc2c(c1)nc(SCCN1CCCCC1)n1nnnc21 58158967 AQJHAEXEWPCYNL-UHFFFAOYSA-N 314.418 2.251 0 40 DEAB O=c1c2cccnc2ncn1Cc1cc(-c2ccccc2)on1 58269046 HJQNCMMMSVOXAG-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB COc1ccccc1C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 58307902 SBGQPBNFOBGYCI-NSHDSACASA-N 316.323 2.309 0 40 DEAB COc1ccc(CNC(=O)CCOc2cccc(F)c2)cn1 45239209 VPCOPCAUIASCFW-UHFFFAOYSA-N 304.321 2.315 0 40 DEAB CN(Cc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 69367879 RSLQBUQBBHFWRI-CQSZACIVSA-N 324.377 2.100 0 40 DEAB CCONC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10893266 RCUUVCIZCNSCIB-UHFFFAOYSA-N 312.373 2.500 0 40 DEAB COc1ccccc1-c1noc(CNc2ccccc2C(N)=O)n1 10939481 GBZFDSWEWDHCAC-UHFFFAOYSA-N 324.340 2.456 0 40 DEAB CCN1C[C@H](C(=O)NCc2ccc(COC(C)C)cc2)CC1=O 49149908 GEVWYDMEYFBFKY-MRXNPFEDSA-N 318.417 2.096 0 40 DEAB Cn1c(Oc2cc(Cl)cc(Cl)c2)cc(=O)n(C)c1=O 6219122 FABJWRBPVWEMJG-UHFFFAOYSA-N 301.129 2.183 0 40 DEAB O=C(NCCSCCCO)Nc1cccc2cccnc12 69738632 FTKPAXWFVGWZLO-UHFFFAOYSA-N 305.403 2.472 0 40 DEAB O=Cc1cn(C[C@H](O)Cn2nnc3ccccc32)c2ccccc12 5521094 YTPMPILWGOBARK-AWEZNQCLSA-N 320.352 2.260 0 40 DEAB CC[C@@H](C)N(C)CCNC(=O)c1ccc(OC)c(OC)c1OC 66137488 AMKKFHAOBZJVTI-GFCCVEGCSA-N 324.421 2.173 0 40 DEAB O=C(CNC(=O)c1cccc(F)c1)NCc1ccc(F)cc1 6784310 JCMNKFRULBCPOG-UHFFFAOYSA-N 304.296 2.011 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCc1ccc2c(c1)OCCCO2 66774900 LPATUECHEKEQRF-UHFFFAOYSA-N 315.373 2.128 0 40 DEAB CNC(=O)NC(=O)[C@H](C)Nc1cc(C(C)(C)C)ccc1OC 8780398 HMJTZISPEVFWSX-JTQLQIEISA-N 307.394 2.249 0 40 DEAB OC1CCC(NC[C@H](O)COCc2ccc(Cl)cc2)CC1 7015446 QOVSIXHGJJAEEM-GPANFISMSA-N 313.825 2.111 0 40 DEAB O=C(NCCc1nc2ccccc2[nH]1)c1cnn2ccccc12 67676094 VMVXCKSBFQOESP-UHFFFAOYSA-N 305.341 2.183 0 40 DEAB Cc1[nH]c2ccc(C(=O)OCC(=O)N3CCCC3=O)cc2c1C 7984948 FVDTVEVWNJDOML-UHFFFAOYSA-N 314.341 2.091 0 40 DEAB CCOC(=O)c1sc(Nc2nc(C)c(CC)c(=O)[nH]2)nc1C 20673460 JCIZSNUVSJMLNJ-UHFFFAOYSA-N 322.390 2.326 0 40 DEAB Cc1csc(COC(=O)c2ncn(-c3ccccc3)n2)n1 93288515 JABRTWNGJFPCBI-UHFFFAOYSA-N 300.343 2.389 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)c1ccc[nH]1 72277596 RNUBVYGOPIIXTC-TXEJJXNPSA-N 307.394 2.485 0 40 DEAB COC(=O)C1(C(=O)N2CCCN(C)c3ccc(Cl)cc32)CC1 97147095 OGNLSYXISYBLLT-UHFFFAOYSA-N 322.792 2.466 0 40 DEAB Cc1cccc(OC[C@@H](O)CN2CCC(c3ccn[nH]3)CC2)c1 65478548 QULYUPJHLPQALO-INIZCTEOSA-N 315.417 2.337 0 40 DEAB Cc1noc([C@@H](C)OC(=O)CNC(=O)CCC2CCCC2)n1 72313349 OKJFTXOKQSEWKG-SNVBAGLBSA-N 309.366 2.069 0 40 DEAB CC[C@H](C)[C@H](C)NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 71853420 VCAAFIDDRFRYEK-UWVGGRQHSA-N 316.398 2.362 0 40 DEAB O=S(=O)(C[C@H]1CCCO1)c1ccc(Br)cc1 71912765 PGQGWSSLGHVGIG-SNVBAGLBSA-N 305.193 2.402 0 40 DEAB C[C@@H](CO)NC(=O)N[C@H](C)c1ccc(OCC2CC2)c(F)c1 95413652 WDJAFQYDVMIDFV-WDEREUQCSA-N 310.369 2.356 0 40 DEAB Cc1nnc([S@@](=O)Cc2nccn2C)n1[C@@H]1CCC[C@@H](C)C1 95442872 WKYLVZFAGPVXAN-WBVVSNMSSA-N 321.450 2.379 0 40 DEAB COC(=O)[C@H](C)N(C(=O)Cc1c[nH]c2ccccc12)C1CC1 74027429 PTHWAMVLASFWIW-NSHDSACASA-N 300.358 2.263 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CCC[C@H](Cn2cncn2)C1 95994993 NMFPUPPTDHXOGX-LBPRGKRZSA-N 303.341 2.361 0 40 DEAB COc1c(F)cc(NC(=O)[C@H]2CCCN2C(=O)C2CC2)cc1F 79226669 XTVKVVYJXFWDJD-CYBMUJFWSA-N 324.327 2.313 0 40 DEAB Cc1cc(CNC(=O)N2CCN(c3ccccc3)CC2)no1 95955032 MUHHMFFVVGIILH-UHFFFAOYSA-N 300.362 2.015 0 40 DEAB Cc1ccc(CC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cn1 95991659 WLCKBGNQPMQYGO-CRPOECCBSA-N 318.417 2.371 0 40 DEAB C[C@](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)(C(=O)O)C1CC1 95989585 AUVSCOCFNSJTFA-OHUAYANFSA-N 309.312 2.438 0 40 DEAB CCOCCn1c(C(=O)OC)cc(=O)c2cc(Cl)ccc21 95944888 HIMJRUHSQIKGFT-UHFFFAOYSA-N 309.749 2.478 0 40 DEAB Cc1cc(C(=O)CN2C(=O)NC3(CCC3)C2=O)c(C)n1C1CC1 89575593 TXZXJHOURBTVHT-UHFFFAOYSA-N 315.373 2.097 0 40 DEAB CCN(CC(=O)O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391551 OFKXHSHSCRLJDR-OAHLLOKOSA-N 320.389 2.052 0 40 DEAB Cn1cc([C@H]2CSCCN2C(=O)N[C@H]2C=CCCC2)cn1 189544648 HGBIHLKIVWRPOM-UONOGXRCSA-N 306.435 2.328 0 40 DEAB CNC(=O)c1cccc(CNC(=O)CO[C@@H]2CCCC[C@H]2C)c1 79038923 RQSGDUKCOWOPPY-CZUORRHYSA-N 318.417 2.258 0 40 DEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(Cc1ccccn1)[C@@H]3C2 120325163 BZPZLZNQLQAWCK-XPKDYRNWSA-N 306.431 2.422 0 40 DEAB COc1ccc(C(=O)NCCn2cc(Br)cn2)cc1 28244575 AYWOOBMAUURZMR-UHFFFAOYSA-N 324.178 2.084 0 40 DEAB COC(=O)c1ccc(CN2CC(c3nc(C4CC4)no3)C2)cc1 70637022 ZRIJQMPQJQCMEF-UHFFFAOYSA-N 313.357 2.333 0 40 DEAB CCN(C[C@@H]1CCCCN1CC(=O)O)C(=O)OC(C)(C)C 79410580 XECCIDXMRSIUSR-LBPRGKRZSA-N 300.399 2.183 0 40 DEAB CCOC(=O)C(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1 71279326 BIWUXHLWVUOAIF-UHFFFAOYSA-N 310.313 2.127 0 40 DEAB C[C@]1(C(=O)N2CCc3ccccc32)Oc2ccccc2NC1=O 41546846 NHOQFKLDZFKMNS-SFHVURJKSA-N 308.337 2.366 0 40 DEAB O=C(c1cncnc1)N1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 49168723 WXVLUVOISYZIFT-JTQLQIEISA-N 311.320 2.122 0 40 DEAB biogenic,in-vitro CN(c1ccc(CC(=O)N2CCCCCC2)cc1)S(C)(=O)=O 225977880 ZVLABYJDQPIKIE-UHFFFAOYSA-N 324.446 2.028 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1nnn(-c2ccc(F)cc2)n1 75163563 RTXIAUZLDHXYSQ-UHFFFAOYSA-N 319.246 2.332 0 40 DEAB COc1ccc(C2=NN[C@@H]3CC(C)(C)CC(=O)[C@H]23)c(OC)c1 228922661 YNPYJMVXDQNMMS-IUODEOHRSA-N 302.374 2.385 0 40 DEAB Clc1ccc(N2CCC(NCCN3CCOCC3)CC2)cc1 195577902 WOYRROOEBAILLZ-UHFFFAOYSA-N 323.868 2.231 0 40 DEAB CC(C)OC[C@@H](O)CN1CCN([C@@H](C)c2ccccc2F)CC1 97228758 GLVNZRGYBUMWCB-HOTGVXAUSA-N 324.440 2.290 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccc(C)nc1)C2 96039024 CETQSEPNYYXPNU-NVXWUHKLSA-N 304.390 2.048 0 40 DEAB CCOc1ccc(CCNC(=O)c2nccn2C)cc1OCC 96421319 DIRLSUGBALTGAY-UHFFFAOYSA-N 317.389 2.190 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 96226926 AWFLECRRCKOQML-MAUKXSAKSA-N 313.401 2.449 0 40 DEAB CC/C=C(\C)C(=O)NC1CCN(c2cc(CC)ncn2)CC1 98018351 KYTIAJVXOJXMTA-AWNIVKPZSA-N 302.422 2.480 0 40 DEAB C/C(=C\[C@H](C)[C@@H](C)O)CC[C@H](O)Cc1cc(O)c(C)c(=O)o1 96111472 RIQJTEDKQNLJJQ-HKDWMLLXSA-N 310.390 2.301 0 40 DEAB biogenic,in-vitro Cc1cnc(N2CC[C@@]3(CCCN(c4nncs4)C3)C2)nc1 96217175 VCSMQBVHVAMFHV-HNNXBMFYSA-N 316.434 2.133 0 40 DEAB CN(C(=O)CN1C(=O)CC2(CCCCC2)C1=O)C1CCCCC1 96956385 YESHVQLBEZVZKE-UHFFFAOYSA-N 320.433 2.487 0 40 DEAB Cc1ccc2nc(C(=O)N3CCNC[C@@H]3c3ccccc3)cn2c1 257255928 KJKVPZNMEBXBGZ-QGZVFWFLSA-N 320.396 2.429 0 40 DEAB COc1ccccc1[C@@H]1CN(Cc2[nH]cnc2C)CCN1C 257254383 KCVAXNDJIYZRND-INIZCTEOSA-N 300.406 2.215 0 40 DEAB CCc1c(C(=O)N[C@@H]2CCC[C@@H](O)[C@@H]2O)[nH]c2ccc(C)cc12 257307729 SZZOMFUKZAJFPH-BFYDXBDKSA-N 316.401 2.043 0 40 DEAB Cc1nc(CN2CCOC[C@H]2CCc2cnccn2)cs1 257288325 PTTKTSSBFDXFEX-OAHLLOKOSA-N 304.419 2.075 0 40 DEAB Cc1nc(O)cc([C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257298290 RLBPCHLZIXXGBG-AWEZNQCLSA-N 320.780 2.113 0 40 DEAB CCCn1ccnc1CN1CCCC[C@@H]1c1ccnc(N)n1 257299706 RRDJGQIYDARMKE-CQSZACIVSA-N 300.410 2.393 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCN(Cc2cccc(OCCO)c2)C1 257325373 WSSCRZMDPZWPQH-INIZCTEOSA-N 315.417 2.469 0 40 DEAB Cc1ncncc1C(=O)N1CCC(C)(c2nccs2)CC1 257252113 JTPHFCHATUEUGG-UHFFFAOYSA-N 302.403 2.435 0 40 DEAB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC2CC2)c1 48765064 KGBDHNSSESIDHZ-UHFFFAOYSA-N 317.794 2.157 0 40 DEAB O=C(Cn1cnc2ccsc2c1=O)Nc1cc(F)cc(F)c1 11651947 SFEZJFRQMLXCBV-UHFFFAOYSA-N 321.308 2.375 0 40 DEAB O=C(C1CCCC1)N1CCC(c2ncc3c(n2)CCNC3)CC1 19292404 UBRSCDJDUNNBBU-UHFFFAOYSA-N 314.433 2.019 0 40 DEAB Cc1cnn(CC2CN(c3cc(C(F)(F)F)nc(C)n3)C2)c1 1889078038 UMVCJRMVPIJBHP-UHFFFAOYSA-N 311.311 2.445 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H]1c1c[nH]c2nc(=N)ccc-2n1 2037838357 FSZLJUSTSCKKDT-LBPRGKRZSA-N 315.377 2.461 0 40 DEAB CC[C@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2)C1=O 2710959 XCLCFNIWIOKFTR-CHWSQXEVSA-N 320.414 2.284 0 40 DEAB Cc1cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)on1 101315330 PJAZNHSNHIRWLH-CCEZHUSRSA-N 317.326 2.006 0 40 DEAB C[C@@](O)(CNC(=O)c1ccc2nsnc2c1)Cc1ccco1 206614474 GVSCQDHSRRQJNW-HNNXBMFYSA-N 317.370 2.008 0 40 DEAB c1ccc2c(c1)CN(C[C@H]1CCCN1)CC1(CCOCC1)O2 72334285 IDCNGZSUHWVPJZ-MRXNPFEDSA-N 302.418 2.182 0 40 DEAB CCOc1ccccc1C(=O)Nc1cccc2c1C(=O)NC2=O 3313069 HBGUDIDRWXGLBN-UHFFFAOYSA-N 310.309 2.221 0 40 DEAB O=C(/C=C/c1ccco1)NCC[C@H](O)c1ccc2c(c1)OCO2 90612488 HRNULBQACDHNEL-YVZNUBBCSA-N 315.325 2.261 0 40 DEAB C[C@@H]1SCCN(C(=O)NCc2cccnc2N(C)C)[C@@H]1C 96411415 JGFXXHPRHIHBKC-NEPJUHHUSA-N 308.451 2.183 0 40 DEAB CC(=O)N1CCC(NC(=O)CCOc2cccc(Cl)c2)CC1 40091006 PBUUPLWSLYFOBQ-UHFFFAOYSA-N 324.808 2.236 0 40 DEAB Cc1ccc2c(c1)CCCN2CCN1C(=O)NC(C)(C)C1=O 40060181 BKYIFLTXAKLKHM-UHFFFAOYSA-N 301.390 2.078 0 40 DEAB CNS(=O)(=O)c1ccc2c(Cl)c(C(=O)O)sc2c1 20285112 QMIAPORYSJGFDL-UHFFFAOYSA-N 305.764 2.161 0 40 DEAB CC1(C)NC(=O)N(CCSC[C@H]2CC2(Cl)Cl)C1=O 31422422 RUFRIBIXBUXVGD-SSDOTTSWSA-N 311.234 2.244 0 40 DEAB O=C1O[C@H](C(=O)NCCc2ccsc2)Cc2ccccc21 40509538 KJMTZJBOJQVELH-AWEZNQCLSA-N 301.367 2.189 0 40 DEAB O=C(Cc1csc(-c2cccnc2)n1)NCc1ccncc1 31868184 FVGJAPSOEGOZKN-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB COc1cccc(C(=O)OCC(=O)NCc2cccc(C)c2)c1 51356691 GQLNNMTWFRYRBN-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB C[C@H](NC(=O)NCCc1cccs1)C(=O)N1CCCC[C@H]1C 69527545 QDUIGGNVMZQEBA-OLZOCXBDSA-N 323.462 2.379 0 40 DEAB Cc1cccc(-c2nc(CS(=O)(=O)CCCCCO)no2)c1 69514183 AIHDOGLSQQECHI-UHFFFAOYSA-N 324.402 2.122 0 40 DEAB CC(C)(C)OC(=O)NCCC(=O)Nc1ccc2c(c1)OCO2 17301910 SLXIPLGXDWJMGA-UHFFFAOYSA-N 308.334 2.269 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)NC1CCCC1)C(=O)[C@H](C)O2 1362154 UTSREBMMWDWZRW-LBPRGKRZSA-N 302.374 2.168 0 40 DEAB O=C(NCc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 3565754 QTSMLCZLLTZTSA-UHFFFAOYSA-N 308.337 2.270 0 40 DEAB CCCCCCNC(=O)Cc1c(C)nc2[nH]n(C)c(=O)c2c1C 69633134 WQLPPDRQOVXOFX-UHFFFAOYSA-N 318.421 2.117 0 40 DEAB CCCN(CCC)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 61310024 FAGJSQQQFHSUEZ-UHFFFAOYSA-N 323.437 2.136 0 40 DEAB Cc1cccc(CN2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 23248020 PDGMVDGCSNBGOR-IBGZPJMESA-N 323.440 2.339 0 40 DEAB Cc1cccc(CN2CCN3C[C@H](Oc4cccnc4)C[C@H]3C2)n1 107197804 ADRKAIAEQXYDQU-PKOBYXMFSA-N 324.428 2.123 0 40 DEAB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCOCC1 23750077 GZHKWZQZXHONPS-JTQLQIEISA-N 302.296 2.365 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1sc(-c2ccccn2)nc1C 24586436 LNIBKWHGDFDWLC-UHFFFAOYSA-N 319.386 2.195 0 40 DEAB COc1ccc(CNS(=O)(=O)NCc2ccc(C)cc2)cc1 1387515 UZAHNZHOEOJWNJ-UHFFFAOYSA-N 320.414 2.128 0 40 DEAB CCN1CCO[C@@H](C(=O)N[C@H](c2ccccc2)C(F)(F)F)C1 110649963 KOSXNIDUTVBZBE-CHWSQXEVSA-N 316.323 2.127 0 40 DEAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCn1ccnc1)CC2=O 101023333 DNWSFCQBRNYSHF-IAGOWNOFSA-N 303.406 2.175 0 40 DEAB Cc1cccc([C@@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)c1 56001246 DLVZVMSSRYZAOC-CABCVRRESA-N 307.415 2.093 0 40 DEAB CCN1CCN(c2ccc(Nc3ncnc4[nH]ncc34)cc2)CC1 12547863 HUXUDOIOQIWLBF-UHFFFAOYSA-N 323.404 2.238 0 40 DEAB COCCCCNC(=O)Nc1ccc(N2CCOC2=O)cc1 56766916 DYLKURRIRIQEIZ-UHFFFAOYSA-N 307.350 2.191 0 40 DEAB COc1ccccc1N1CCN(C2[C@H]3CCC[C@H]2CNC3)CC1 100212063 OAYJLHBRRPRCAE-HOTGVXAUSA-N 315.461 2.205 0 40 DEAB COC(=O)CCCN1CCC(C(=O)NC2CCCCC2)CC1 72287163 QBEFXLBJFVRILK-UHFFFAOYSA-N 310.438 2.101 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)c1cc(C)oc1C 3285984 YQTBNPBHHQZVLQ-UHFFFAOYSA-N 317.341 2.378 0 40 DEAB Cc1cnc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)cn1 3225710 FLYUYDPUHCKIEK-UHFFFAOYSA-N 313.357 2.383 0 40 DEAB CNC(=O)COc1cccc(CNc2ncnc3ccccc23)c1 44977010 BWZRTSYWYIYHPR-UHFFFAOYSA-N 322.368 2.367 0 40 DEAB CN(CC(=O)NC(=O)NC1CC1)c1ccc(C(C)(C)C)cc1 58358128 VLUTZSXVGXWARK-UHFFFAOYSA-N 303.406 2.409 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2Cl)CCO1 10681561 JKUJSHHZXMEIAX-QMMMGPOBSA-N 310.202 2.403 0 40 DEAB Cc1cc(C)c(NC(=O)CSc2nnnn2C)c(Cl)c1 3340600 KENARVCKCRMFTO-UHFFFAOYSA-N 311.798 2.211 0 40 DEAB CS(=O)(=O)Nc1ccc(NC(=O)Nc2ccccn2)cc1 48346912 NNCPAPXSTWIASO-UHFFFAOYSA-N 306.347 2.097 0 40 DEAB CCCC(=O)N[C@@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69813440 YXLZCSXVBIIBKS-QRQCRPRQSA-N 322.474 2.175 0 40 DEAB Cc1noc(C)c1NS(=O)(=O)c1ccc2c(c1)OCCCO2 63476196 CCGPYYJOFPJNGR-UHFFFAOYSA-N 324.358 2.254 0 40 DEAB COc1ccccc1S(=O)(=O)N[C@H](C)CCc1cccn1C 76062459 FBDQIMMHWXGGFI-CYBMUJFWSA-N 322.430 2.333 0 40 DEAB Cc1c(C(=O)N2CCOC[C@@H]2C)[nH]c2c1C(=O)CC(C)(C)C2 65575016 YXGMXRIUSUADIV-JTQLQIEISA-N 304.390 2.339 0 40 DEAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)OC)cc2)c1C 65552574 XULJVTHSEHIBDC-UHFFFAOYSA-N 316.357 2.381 0 40 DEAB CN(Cc1cnn(-c2ccccc2)c1)c1ncnc2c1cnn2C 14140119 DIISVWZVJLRHRP-UHFFFAOYSA-N 319.372 2.185 0 40 DEAB Cc1ccc[n+](CCCN2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)c1 4507390 NLJCUJKJIZEBOK-LSDHHAIUSA-N 319.812 2.190 0 40 DEAB C[C@H]1CCN(C(=O)c2nccnc2N)[C@@H]1c1cccc(F)c1 76093655 GWAMZPFXWDJNNA-HZMBPMFUSA-N 300.337 2.421 0 40 DEAB Cn1ccc2c(C(=O)OCCNC(=O)c3ccncc3)cccc21 76020299 UCNGMBUCWCICIW-UHFFFAOYSA-N 323.352 2.160 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@]1(O)CCCc2ccccc21 66931247 PXFCMRJVXPVUAK-KRWDZBQOSA-N 300.358 2.245 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3c(cc2=O)C[C@H](C)CC3)cc1 21110352 ZYVHBLNHHDFRRJ-CYBMUJFWSA-N 311.385 2.315 0 40 DEAB CCC12CN3CC(C)(CN(C1)C3c1ccc(O)c(OC)c1)C2=O 19323595 APLQNRDKBILKDX-UHFFFAOYSA-N 316.401 2.016 0 40 DEAB biogenic Cc1noc(C)c1S(=O)(=O)NCCCOC1CCCCC1 15359813 UTDUVGSJUUSTIV-UHFFFAOYSA-N 316.423 2.309 0 40 DEAB CCCNC(=O)CNc1ccc(CCC(=O)N2CCCC2)cc1 67960077 SYBXTOIKSIFPFN-UHFFFAOYSA-N 317.433 2.180 0 40 DEAB CCC1CCC(CNC(=O)C[C@H]2CCS(=O)(=O)C2)CC1 68796599 XPYGCRBMHXUBBX-JXQTWKCFSA-N 301.452 2.144 0 40 DEAB COc1ccc(C[C@@H](C)N(C)C(=O)CCCn2cncn2)cc1 69420594 VLGGAQRGECJWHF-CQSZACIVSA-N 316.405 2.157 0 40 DEAB Cc1sc2nc(SCc3ncnn3C)nc(N)c2c1C 96423968 OTZQFAATCWOUAE-UHFFFAOYSA-N 306.420 2.311 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@@H]2Cn2cccn2)cc1F 71866248 PMADEWNTMUPMAL-CQSZACIVSA-N 317.364 2.265 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)COC2CCCC2)n1 71870209 FVQTYPLDTCRUEV-HNNXBMFYSA-N 305.422 2.450 0 40 DEAB Cc1c(C(=O)N2CCCSCC2)nnn1-c1ccc(F)cc1 71824206 GMFSOOKSTJVIDF-UHFFFAOYSA-N 320.393 2.294 0 40 DEAB COCc1ccc([C@@H]2CCCN2C(=O)NCc2nc(C)no2)o1 97148188 HLCLZSMEZZJRPZ-LBPRGKRZSA-N 320.349 2.164 0 40 DEAB O=C(Cc1ccc(Cl)cc1)N1CC[C@](O)(C(F)(F)F)C1 78025585 ZWFKNBSOJGSTBU-GFCCVEGCSA-N 307.699 2.408 0 40 DEAB Cc1cc(C)nc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1 97143056 QMTAYNQILWXIDC-UHFFFAOYSA-N 318.421 2.421 0 40 DEAB C[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1N1CCOCC1 72300449 HPHMEHIGMKPDFR-IUODEOHRSA-N 320.458 2.418 0 40 DEAB Cn1c(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)n[nH]c1=S 78502279 GXFUADPYQJULFK-VXGBXAGGSA-N 320.393 2.079 0 40 DEAB CC(=O)NC[C@H](C)OC(=O)c1c[nH]nc1-c1c(F)cccc1F 97380183 WQKMZAOXDHLSHP-QMMMGPOBSA-N 323.299 2.036 0 40 DEAB C[C@H](NC(=O)/C=C/c1ccccn1)C(=O)N1CCCC[C@@H]1C 84692162 YKKQMLCMTFCEIV-KYXFNPKGSA-N 301.390 2.001 0 40 DEAB O=C(CN1CCCNC1=O)Nc1cc(Cl)ccc1NC1CC1 95411789 CYMMVDHRZMGQGK-UHFFFAOYSA-N 322.796 2.268 0 40 DEAB O=C(Cc1ccc(O)cc1)NCCNc1ncnc2ccccc12 95414331 QRHDINMQUBMVTK-UHFFFAOYSA-N 322.368 2.106 0 40 DEAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1c(F)cc(F)cc1F 79001176 WDFDQTCFNIMMPT-SMDDNHRTSA-N 319.348 2.480 0 40 DEAB Cc1ccc(C[C@H](CNC(=O)c2cscn2)C(=O)O)cc1 95970693 JLDNMIVBNJSIQU-GFCCVEGCSA-N 304.371 2.125 0 40 DEAB NS(=O)(=O)N[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95978078 XLCISITUILBJIW-MRVPVSSYSA-N 302.705 2.127 0 40 DEAB Cc1cc(NCCc2nc3ccc(F)cc3[nH]2)n2ncnc2n1 85689312 KAMGJHCJAWAWKU-UHFFFAOYSA-N 311.324 2.103 0 40 DEAB CN(C)C(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89311970 MUPGVTSZEWIDCH-MNOVXSKESA-N 315.200 2.301 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)c2ccc(F)cc2O1 75147876 DZEPRCDMNLVTRD-SNVBAGLBSA-N 314.316 2.352 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)/C=C/c1ccc(Br)o1 89937723 ZRLNNPMCWPVLFF-RWCYGVJQSA-N 313.195 2.218 0 40 DEAB Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1Cl 75606206 VWIBHNDSNJNHNS-HZPDHXFCSA-N 322.836 2.320 0 40 DEAB O=C(NCCc1cnccn1)N1[C@H]2CC[C@H]1CC1(C2)CC1(F)F 527843922 FUQOGWQZAPDPMJ-STQMWFEESA-N 322.359 2.381 0 40 DEAB COC(=O)c1nn(C)c(C)c1NC(=O)CCc1cccs1 72250874 NJKAVPIGXVTSBE-UHFFFAOYSA-N 307.375 2.148 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1snnc1-c1ccc(F)cc1 225777577 GZHCTOFJMMLVNE-NSHDSACASA-N 307.350 2.253 0 40 DEAB Cn1cc(CC(=O)NC(C)(C)COCc2ccccc2)cn1 225598330 XRPJHMWPDPDZTE-UHFFFAOYSA-N 301.390 2.074 0 40 DEAB O=C(N[C@H]1CCCNC1)c1ccc(F)c(Br)c1 195542747 PYVFMKPUHBTOOK-VIFPVBQESA-N 301.159 2.070 0 40 DEAB Cn1cc([C@H]2C[C@H](NC(=O)c3cc(Cl)cn3C)CCO2)cn1 568662191 PHWJHYWPYWXWCS-TZMCWYRMSA-N 322.796 2.062 0 40 DEAB Cc1cnc(C)c(NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)n1 195563955 DHOAHUWXOUVFKW-IAGOWNOFSA-N 312.417 2.141 0 40 DEAB O=C(NCc1ccc(Br)cc1)c1ccc[nH]c1=O 42418664 MSATZBVKKJQLRY-UHFFFAOYSA-N 307.147 2.067 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)NC[C@H]2CC[C@H](O)C2)c1 190309590 KEUSJOWBPQABLM-GJZGRUSLSA-N 306.406 2.142 0 40 DEAB COc1cccc(N2CCN(c3nccnc3Cl)CC2)c1 40478743 WYKYPLIBPFFEOD-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB C[C@]1(c2ccsc2)NC(=O)N(C[C@@H](O)C2CCCCC2)C1=O 191329690 CUZLVKIBQZULRZ-CZUORRHYSA-N 322.430 2.456 0 40 DEAB CN1CCN(C(=O)c2ccccc2NC(=O)C2=CCCC2)CC1 96471721 DUEPKTOWZGBCOD-UHFFFAOYSA-N 313.401 2.123 0 40 DEAB O=C(NCc1ccccc1CN1CC[C@@H](O)C1)C1CCCC1 97237891 APVYXLYMRCCMHZ-QGZVFWFLSA-N 302.418 2.060 0 40 DEAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(Cc3c(C)noc3C)C2)n1 96057623 OWQSDYFILQOAHB-NWANDNLSSA-N 318.377 2.130 0 40 DEAB CCO[C@H]1C[C@H](N(C)CCCS(C)(=O)=O)C12CCCC2 96419736 DCXVYWGJWMSVRA-KBPBESRZSA-N 303.468 2.091 0 40 DEAB Cc1ccc(C(=O)N2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)o1 96053826 QGVNBAXIXLCOND-HUUCEWRRSA-N 311.385 2.187 0 40 DEAB COCC(=O)N1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 96058334 DYUAJBMKILYXHB-BQFCYCMXSA-N 302.418 2.270 0 40 DEAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nccs2)[nH]n1 95476031 QDUJJYHQFKUDOX-UHFFFAOYSA-N 302.363 2.136 0 40 DEAB CCn1cc2c(n1)CN(C(=O)c1cc(C)[nH]c1C)C[C@@H]2COC 96045212 NGDNMCWJUVKSPS-CYBMUJFWSA-N 316.405 2.234 0 40 DEAB O=C(CC1CC1)N1CCC2(CC1)C[C@@H](Oc1ccccn1)CO2 96107000 RKNOQERKDOSECI-OAHLLOKOSA-N 316.401 2.411 0 40 DEAB O=C1C[C@@]2(CCN(Cc3ccncc3)C2)CN1c1ccccn1 96239160 CEENCDMXDGQWQJ-GOSISDBHSA-N 308.385 2.106 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCc1cccs1 257328416 XFOCKRDFJNHXQJ-ZDUSSCGKSA-N 305.403 2.312 0 40 DEAB Cc1c(C(=O)N2CC[C@@H](c3ncon3)C2)cnn1-c1ccccc1 253472348 LMBPDPBXDUWMMU-CYBMUJFWSA-N 323.356 2.193 0 40 DEAB Cc1cncc([C@@H]2CCCN2C(=O)CCc2cnn(C)c2C)n1 257340369 ZFSFEVJMTPGYGR-INIZCTEOSA-N 313.405 2.123 0 40 DEAB COc1cc(CN2CCC3(CC2)OCCC[C@@H]3O)cc(OC)c1 257240228 HSQQOXORJSYMDN-KRWDZBQOSA-N 321.417 2.210 0 40 DEAB COC(=O)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2ccccc2)N1 257333641 YCKPKJCNIUKJRX-RDBSUJKOSA-N 320.389 2.156 0 40 DEAB Oc1cccc(CN2CCN(c3ncc(Cl)cn3)CC2)c1 267094379 NIYXRDAQVBWIDE-UHFFFAOYSA-N 304.781 2.158 0 40 DEAB COC(=O)c1ccc(C(=O)NCc2cc(C3CC3)n(C)n2)cc1 96099313 NEAHUVRWJFJBJU-UHFFFAOYSA-N 313.357 2.014 0 40 DEAB Cc1ccoc1C(=O)N1Cc2ccnn2C[C@H](OCC2CC2)C1 585099012 AXIKHNAFCDCJOR-OAHLLOKOSA-N 315.373 2.236 0 40 DEAB COc1ccc(CC(=O)NCCCN(C(C)=O)C(C)C)cc1 48316995 ZKMYTNNBKPOOPG-UHFFFAOYSA-N 306.406 2.001 0 40 DEAB CCC(C)(C)NC(=O)CN1CCCN(c2nc(C)cs2)CC1 60039943 YRLBJCRJQHGLFM-UHFFFAOYSA-N 324.494 2.268 0 40 DEAB NC(=O)c1cc(NC(=O)Cc2c(F)cccc2Cl)ccn1 69590528 DITCWALVSKRQTI-UHFFFAOYSA-N 307.712 2.154 0 40 DEAB Cc1ccc(F)cc1NC(=O)Nc1cnn(CC(=O)N(C)C)c1 71915045 DHGUTYDPBXIYLB-UHFFFAOYSA-N 319.340 2.063 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 76089289 NQPMPVDFCUENSF-QWHCGFSZSA-N 313.419 2.404 0 40 DEAB CC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCCO3)n1 12274192 QEXHMPHMPZYTET-UHFFFAOYSA-N 318.354 2.298 0 40 DEAB COc1cccc(NC(=O)C2CN(c3cc(C)nc(C)n3)C2)c1 19747707 VJDCRBUVEVXGBA-UHFFFAOYSA-N 312.373 2.177 0 40 DEAB Cc1cc(Cl)ccc1OCc1nnc(SCC(N)=O)o1 19929290 YFTCEXFOAVBAAB-UHFFFAOYSA-N 313.766 2.188 0 40 DEAB CC(C)(C)N1C(=O)OC2(CCN(C(=O)c3ccoc3)CC2)C1=O 1888982150 DALNLEDSRMNBSE-UHFFFAOYSA-N 320.345 2.032 0 40 DEAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(F)c1)C2 1565543255 CRQMUXCRRRUIRJ-YJBOKZPZSA-N 318.392 2.133 0 40 DEAB O=C([C@@H]1CN(c2nc3ccccc3s2)CCO1)N1CCCC1 2070387105 CQFBCYTUFZFADA-ZDUSSCGKSA-N 317.414 2.124 0 40 DEAB c1ccc(N2C[C@@H]3CN(c4cc(C5CC5)ncn4)C[C@H]3C2)nc1 2298048650 OTKISKDZVOBCAE-HUUCEWRRSA-N 307.401 2.322 0 40 DEAB O=S1(=O)CC[C@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 20015230 VNHSRACBMIAAMH-ZETCQYMHSA-N 314.716 2.353 0 40 DEAB C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCc2ccccc21 100698260 MELFEFLZAXHIKK-VRKREXBASA-N 310.397 2.293 0 40 DEAB O=C(CNC(=O)NC1CC1)Nc1cccc(OC2CCCC2)c1 40555842 FCOBHVBSKNAHBK-UHFFFAOYSA-N 317.389 2.408 0 40 DEAB Cc1csc(N(C)C(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 40548913 NDHRGSUOUWMILL-LBPRGKRZSA-N 302.355 2.196 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)c[nH]2)C[C@@H](C)O1 21061190 MTZRIPGSHCJTCZ-GHMZBOCLSA-N 313.829 2.286 0 40 DEAB CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 31440 ZQZLCDQFTKBVQQ-VXGBXAGGSA-N 317.341 2.469 0 40 DEAB Cc1ccccc1CSc1nnc(C2CC2)n1CC(N)=O 46028994 LKMMBDLXHZVSQS-UHFFFAOYSA-N 302.403 2.242 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCN3CCCC[C@H]23)cnn1C(C)(C)C 69437110 APDYKJZNWCQUKL-HUUCEWRRSA-N 304.438 2.303 0 40 DEAB Cc1ccc(CNC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1 317326 VWJCPYHAIVJQLU-UHFFFAOYSA-N 322.364 2.483 0 40 DEAB COCCN1C(=O)CC[C@H](C(=O)O)[C@H]1c1cccc(C)c1C 69492100 GJYHRETVQHQGPC-GOEBONIOSA-N 305.374 2.314 0 40 DEAB COc1ccc(NC(=O)C2CCCCC2)cc1-n1nnnc1C 60365469 DCCXIOLZBNPUJN-UHFFFAOYSA-N 315.377 2.498 0 40 DEAB Cc1cc(NC(=O)CSc2nnnn2C2CCCCC2)no1 411145 GVGCGWOSXRZROT-UHFFFAOYSA-N 322.394 2.206 0 40 DEAB O=C(NCCc1ccccc1)c1ccc(N2CCOCC2)cc1 7504933 WYVZSZNZQCDSFQ-UHFFFAOYSA-N 310.397 2.496 0 40 DEAB Cc1ccc(CCNC(=O)N(C)C[C@@H]2CCCC[C@H]2O)cn1 97049383 AJQPAUYFXDBGBA-JKSUJKDBSA-N 305.422 2.125 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)Nc2ccccn2)CC1 97033705 ROHKGBBQJKHRNE-UHFFFAOYSA-N 312.377 2.004 0 40 DEAB C[C@@H]1[C@@H](OC(=O)CCSc2nnnn2C)C[C@H]2C[C@H]1C2(C)C 103756980 GPMOFERKGSPPJA-QCNOEVLYSA-N 324.450 2.306 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)[C@@H](C)Oc1cccc(C)c1 42358645 ZLNJXBZNOCJRAZ-CQSZACIVSA-N 306.406 2.135 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)/C=C/c1ccccc1)c1ccco1 47031406 LNSYUYVJACUZBL-HBIYDYFMSA-N 320.414 2.473 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)CCn2ccc(C)n2)c1 2805395 SZCKTUHKCWJYEP-ZDUSSCGKSA-N 317.389 2.476 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cc(C(C)C)no1 23426626 ZCZZTBSTOJWPCO-UHFFFAOYSA-N 307.306 2.198 0 40 DEAB O=C(NCCn1ccnc1)N[C@@H]1CCSc2ccccc21 43166807 RFMLSNOQKXZWNU-CYBMUJFWSA-N 302.403 2.419 0 40 DEAB c1ccc(CN2CCC(Nc3ncnc4[nH]ncc34)CC2)cc1 12556497 RTULWHMHQCGHKV-UHFFFAOYSA-N 308.389 2.429 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)N[C@@H]1CCOc2ccccc21 47867971 GJAIGPDBTJWQEC-GXTWGEPZSA-N 300.362 2.095 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CCN(Cc2cn3ccccc3n2)CC1 44889282 BLNGTZFMIFEBEL-MRXNPFEDSA-N 324.428 2.335 0 40 DEAB CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)[C@H]1CCS(=O)(=O)C1 58292104 LNVOMIQFKSLDOD-IHRRRGAJSA-N 313.463 2.260 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)n(C)n1 58210278 PXGMERVKQUOXRG-LBPRGKRZSA-N 322.409 2.457 0 40 DEAB C[C@@H](O)CN(CC(=O)N1CCc2ccccc21)c1ccccc1 58416546 ZKWVDMQJUNPXBN-OAHLLOKOSA-N 310.397 2.463 0 40 DEAB O=C(NCc1ccco1)C1CCN(C(=O)c2ccoc2)CC1 28262558 KEJBXGKSNZYAHL-UHFFFAOYSA-N 302.330 2.041 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1Cl 12736704 LAFWYAJGMNTRDV-UHFFFAOYSA-N 305.721 2.239 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)N[C@H]1CCc2ccccc21 48311167 RMEFEPMSGHAPNB-AWEZNQCLSA-N 311.389 2.053 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H](C)n2ccnc2)n1 69951348 MMGBFLRNBHFURJ-JKSUJKDBSA-N 315.421 2.339 0 40 DEAB CC(C)C[C@H](NC(=O)c1cscn1)C(=O)Nc1nccs1 91841330 QLMJRGVQCKQBTF-VIFPVBQESA-N 324.431 2.383 0 40 DEAB CN1C(=O)N(C)[C@@]2(c3ccccc3)NC(=O)N[C@]12c1ccccc1 4339703 KZYFEYACAVTOSA-QZTJIDSGSA-N 322.368 2.002 0 40 DEAB CC(C)Cc1nc(C[S@@](=O)CC(=O)Nc2ccccc2)no1 69843744 RJJHYGFSCKOPDQ-QFIPXVFZSA-N 321.402 2.156 0 40 DEAB Oc1ccccc1N1CCN(C(=S)NCc2ccco2)CC1 6333080 CPJCDANGUYTWOE-UHFFFAOYSA-N 317.414 2.182 0 40 DEAB CCCCN(C)S(=O)(=O)Nc1ccc(OC)c(OC)c1 69814735 TWLULNRRVNAPRU-UHFFFAOYSA-N 302.396 2.092 0 40 DEAB NC(=O)N[C@@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 14063473 NVXVMUFWQJKBNH-LBPRGKRZSA-N 321.377 2.303 0 40 DEAB COc1ccc(CNC(=O)CCc2c(C)n[nH]c2C)cc1OC 14231213 AZSHGNCWTZHXFN-UHFFFAOYSA-N 317.389 2.293 0 40 DEAB O=C(CCNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)N1CCCC1 65987787 CXVNEDZXWYENEE-PJPHBNEVSA-N 319.449 2.219 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2sccc2OC)CC1 69492386 SKFXEHBYNIPSQG-UHFFFAOYSA-N 320.418 2.388 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2)c1C 9313932 OCYRTIYVZDEBHV-UHFFFAOYSA-N 315.325 2.458 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)Cc3c(C)noc3Cl)C2)no1 72232283 PZUNYIDGIXZWJT-JTQLQIEISA-N 324.768 2.277 0 40 DEAB Cc1cn2c(CN[C@H]3CCc4nnc(C)n4C3)c(C)nc2s1 97199397 RBXQAHBCGSNWDI-LBPRGKRZSA-N 316.434 2.017 0 40 DEAB Cc1csc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)n1 71836384 JDWYDWFBORJXKX-CHWSQXEVSA-N 317.414 2.497 0 40 DEAB CC(C)(C)n1cc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cn1 71837204 FNXINBWYJPXAMO-AWEZNQCLSA-N 300.406 2.494 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cnn4cccnc34)C2)n1 71870893 SUTSWHAKVYUABF-CQSZACIVSA-N 324.388 2.020 0 40 DEAB Cc1cccc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)c1 71896640 PMYUMWUYXXHNMD-SFHVURJKSA-N 316.445 2.251 0 40 DEAB CCO[C@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1 71827106 UAVPTMAZTLGIMP-HNNXBMFYSA-N 314.385 2.098 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@H](O)C1)Oc1cccc(C)c1 84733660 GWFPUGBCVMOTNS-LSDHHAIUSA-N 306.406 2.319 0 40 DEAB CC[C@@H]1CN(C(=O)CCc2ccsc2)C[C@H]1N1CCOCC1 84735825 AVYCARWMAYDDBN-HZPDHXFCSA-N 322.474 2.250 0 40 DEAB Cc1cc(CC(=O)NC[C@H](O)c2ccc(C(C)(C)C)cc2)n[nH]1 95410252 VNPFBQGXSUUQQH-INIZCTEOSA-N 315.417 2.408 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1ccccc1OC(C)C)C(N)=O 95942619 LEQYHDUTJVMPCP-RISCZKNCSA-N 307.394 2.495 0 40 DEAB Cc1cc(C)c(CCNC(=O)NCc2noc(C)n2)c(C)c1 89568716 ZVJWDKXWVMXYBA-UHFFFAOYSA-N 302.378 2.345 0 40 DEAB CCNC(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89977414 HLVFNSXFRVUQHD-GHMZBOCLSA-N 315.200 2.349 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl 75602348 VULBSQBTQHTFQJ-GFCCVEGCSA-N 319.796 2.458 0 40 DEAB O=C1N(c2cccc(F)c2)Cc2nn(Cc3ccccc3)c(=O)n21 1547201194 ONFXCWCEDNQVRO-UHFFFAOYSA-N 324.315 2.221 0 40 DEAB COc1ccccc1CCC(=O)Nc1c[nH]nc1[C@@H]1CCNC1 1549746221 OODPILLZKCJRSH-CYBMUJFWSA-N 314.389 2.067 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(F)cc3)[C@H]2N)cc1 218561951 LQWDJTHPWRVSPY-XHSDSOJGSA-N 305.374 2.401 0 40 DEAB Cc1nc[nH]c1-c1nccn1CCc1nc(C)c2c(n1)CCC2 71749626 DKMHMBKURMKBPX-UHFFFAOYSA-N 308.389 2.411 0 40 DEAB Cc1cc(S(=O)(=O)NC[C@@H](O)Cc2ccccc2)ccc1F 70639311 XVDDMSBBZVOFTP-AWEZNQCLSA-N 323.389 2.016 0 40 DEAB CC[C@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 152453202 SBLOQKGKCFJBDT-DYVFJYSZSA-N 323.412 2.255 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCS(C)(=O)=O)C1 78183981 ZSGUCQASVALHQE-ZIAGYGMSSA-N 309.431 2.134 0 40 DEAB O=c1n(CCSCCOc2ccccc2)nc2ccccn12 78352810 WRBPMKFIIPQONV-UHFFFAOYSA-N 315.398 2.308 0 40 DEAB O=C1CC[C@]2(C(=O)Nc3ccccc3)N=C(O)c3ccccc3N12 40312684 UWFXVJPYPIDFOH-SFHVURJKSA-N 321.336 2.467 0 40 DEAB biogenic CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NCC 224048359 QVEFFLRNDACLEJ-ZDUSSCGKSA-N 306.406 2.349 0 40 DEAB Cc1nnc(COC(=O)c2ccccc2N(C)C(=O)C2CC2)o1 61516566 YHNCHOFLGBLXMB-UHFFFAOYSA-N 315.329 2.108 0 40 DEAB COC(=O)[C@@H](c1ccccc1F)N1CC[C@@H](N2CCCC2)C1 195531721 QYLZGMZFXOTLLI-CZUORRHYSA-N 306.381 2.210 0 40 DEAB Cc1nc(C)c(CC(=O)NCc2nc3ccccc3[nH]2)s1 44226154 KACDNQVIAYKJQH-UHFFFAOYSA-N 300.387 2.495 0 40 DEAB O=C(NCCc1cncnc1)c1ccc(OC(F)(F)F)cc1 225589883 KFZHELBONKQSEP-UHFFFAOYSA-N 311.263 2.348 0 40 DEAB CC[C@@H]([C@@H](O)c1ccc(Br)cc1)S(C)(=O)=O 96519454 LBWIDWAIHTXLTK-QWRGUYRKSA-N 307.209 2.306 0 40 DEAB CCS[C@H]1CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C1 96451466 GFBYKLCBDHSNJZ-NEPJUHHUSA-N 300.468 2.329 0 40 DEAB CN1CCOC[C@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 96228730 PAPPWRWDENJMCM-QGZVFWFLSA-N 306.381 2.010 0 40 DEAB O=C([C@H]1COC[C@H]2CN(C3CCCC3)C[C@H]21)N1CCC(F)CC1 96040784 AALJWCHVSQNEQH-XYPHTWIQSA-N 324.440 2.084 0 40 DEAB Cc1nnc2ccc(N3CCC[C@H]3COc3ccccc3)nn12 92654212 UKAJZTPQDVYUBG-AWEZNQCLSA-N 309.373 2.481 0 40 DEAB CCn1nccc1-c1cccc([C@@H]2CCCN2C(=O)COC)n1 257297517 RHOYLAKGJQJXJT-HNNXBMFYSA-N 314.389 2.275 0 40 DEAB CCCCc1nc(CN2CCO[C@H](c3ccnc(C)n3)C2)c[nH]1 257207176 BGRAPCKURLDDLL-INIZCTEOSA-N 315.421 2.424 0 40 DEAB Cc1nc(O)cc([C@@H]2CN(Cc3sccc3C)CCO2)n1 257222967 DVICGXJZFREIDD-ZDUSSCGKSA-N 305.403 2.434 0 40 DEAB CCO[C@@H]1C[C@@](O)(CNc2nccc(C(F)(F)F)n2)C1(C)C 276942324 QSCFVIWYAITLEY-ZWNOBZJWSA-N 319.327 2.473 0 40 DEAB CCOc1ccccc1NC(=O)Cn1nc(C2CC2)ccc1=O 289352062 HKPLTYWURAOVEN-UHFFFAOYSA-N 313.357 2.158 0 40 DEAB Cn1nc(C(=O)Nc2ccc(Cl)nc2)c2ccccc2c1=O 65492103 JGZHBYJCZLUJCV-UHFFFAOYSA-N 314.732 2.234 0 40 DEAB O=C(Nc1cccc(N2C(=O)COCC2=O)c1)N1CCc2ccc(F)cc2C1 97373516 SOVFIABQECVJMF-UHFFFAOYSA-N 383.379 2.306 0 40 DEAB COc1ccsc1C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 105960098 ZEHFHEKEHGNXOA-NSHDSACASA-N 307.375 2.385 0 40 DEAB CCS[C@H]1CC[C@H](NS(=O)(=O)c2ccc(N)cc2)C1 195562497 XDHUGNIWSFCEHB-RYUDHWBXSA-N 300.449 2.221 0 40 DEAB CN(C)c1ncc([C@H]2Nc3ccccc3C3=NCCCN32)cn1 12144195 YZAOXJUJCOKNNZ-HNNXBMFYSA-N 308.389 2.119 0 40 DEAB C[C@@H]1Oc2ccc(NC(=O)c3ccn(C(F)F)n3)cc2NC1=O 19462218 CDRCKCKWQXNGFU-ZETCQYMHSA-N 322.271 2.250 0 40 DEAB CC(C)(C)OC(=O)N[C@H](CO)[C@H](O)c1ccc(Cl)cc1 36040083 PMAGQCGQONFMQZ-VXGBXAGGSA-N 301.770 2.259 0 40 DEAB O=S(=O)(NC(=S)N1CCCCC1)c1ccc(Cl)cc1 5375776 MTMSPKGPRMBOIK-UHFFFAOYSA-N 318.851 2.389 0 40 DEAB O=C(c1ccoc1)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 25749058 RKVFCCIUZLOOAA-UHFFFAOYSA-N 323.352 2.359 0 40 DEAB C[C@H]1CN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@H](C)O1 7453129 PBSWDSXGSJRPSU-STQMWFEESA-N 319.401 2.415 0 40 DEAB COc1cccc(-c2nnc(NC(=O)c3cc(C)nn3C)o2)c1 9122515 ORFVLLFTJDJRIO-UHFFFAOYSA-N 313.317 2.039 0 40 DEAB O=C(/C=C/c1ccsc1)NCC1CCN([C@@H]2CCOC2)CC1 618256101 NCPMXWQSIWECRO-XGBNDESESA-N 320.458 2.378 0 40 DEAB COC[C@@](O)(CNC(=O)Nc1cccs1)c1ccccc1 575607502 MJYPMGSSYGBERN-HNNXBMFYSA-N 306.387 2.404 0 40 DEAB Cc1ccc([C@H](CN2CCOCC2)NC(=O)C2CCC2)cc1 30536384 UJRIFWXFQVBORU-KRWDZBQOSA-N 302.418 2.285 0 40 DEAB CC(=O)Nc1nc(C(=O)N2CCOc3ccccc32)cs1 40516659 UJMAOFOGLBUVTQ-UHFFFAOYSA-N 303.343 2.141 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)Cn2ccc3ccc(F)cc32)C1 20718016 XIPNNLGREZGJPS-LBPRGKRZSA-N 304.321 2.104 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCOC[C@@H]1C 46256355 QLLZWGQQNPTCHI-ZDUSSCGKSA-N 313.401 2.279 0 40 DEAB Cc1cccc(S(=O)(=O)CCCn2ccc(C)cc2=O)c1 97144562 PSDSGSHJJSDONH-UHFFFAOYSA-N 305.399 2.329 0 40 DEAB COCC[C@H](C)NC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 69562298 WADZVBKMTKJBTD-NSHDSACASA-N 323.368 2.499 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(NC3CC3)nc2)no1 76043789 AAQXASWHDFHBFH-CYBMUJFWSA-N 313.361 2.325 0 40 DEAB O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCCO 2126714 VZCKKKLLEYRYLD-UHFFFAOYSA-N 322.162 2.023 0 40 DEAB biogenic O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCCCCC1 102636700 KCNBVXQUSCJUBC-ZIAGYGMSSA-N 306.406 2.001 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NC[C@@H]2CCCO2)[C@@H]1C 4598844 AATZZAUHXKEDHV-KBXIAJHMSA-N 310.438 2.003 0 40 DEAB Cc1ocnc1C(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91760579 BBZJSSKKMUSDOL-GWCFXTLKSA-N 308.284 2.209 0 40 DEAB CCOCCCNC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C 33028305 RLVWUEDYEUZAOH-MRXNPFEDSA-N 320.433 2.292 0 40 DEAB CN(CC(N)=O)Cc1cc(Cl)ccc1OCc1cccnc1 52831684 RQXQAAIMAIKHHV-UHFFFAOYSA-N 319.792 2.231 0 40 DEAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)CNC(=O)Cc1ccccc1 69970601 MEPUHLGRJHIRJL-XOBRGWDASA-N 322.408 2.395 0 40 DEAB CCCc1noc([C@H](C)N2CCC[C@H](Cn3cncn3)C2)n1 69662431 LOTZNMKJJLZGON-STQMWFEESA-N 304.398 2.087 0 40 DEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccoc1 27976065 NXRIASQSJXOQJK-UHFFFAOYSA-N 300.314 2.004 0 40 DEAB COc1cc(CNC2CCN(C3CC3)CC2)cc2c1OCCO2 22820434 QSRUWFAJPUUNNT-UHFFFAOYSA-N 318.417 2.183 0 40 DEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CC(n2cccn2)C1 69779054 RLVMLVPSIZEPFA-AWEZNQCLSA-N 310.401 2.108 0 40 DEAB CCC1(CC)NC(=O)N(Cc2ccn(-c3ccccc3)n2)C1=O 69704939 LLOBVGREIQIEKL-UHFFFAOYSA-N 312.373 2.483 0 40 DEAB COc1ccc(CNC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 100260490 JBKDXFIRKXJJTL-QZTJIDSGSA-N 317.385 2.433 0 40 DEAB O=C(NC[C@@H]1CCCO1)N1CCC(Oc2ccccc2)CC1 55090379 HEFFXBNBYNCPEC-INIZCTEOSA-N 304.390 2.418 0 40 DEAB CCOc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 3222875 MBZZRJHTKWNBDA-UHFFFAOYSA-N 304.371 2.450 0 40 DEAB CC1=C(C)[C@]2(C)[C@@H]3C=C[C@@H]([C@H]12)n1c(=O)n(-c2ccccc2)c(=O)n13 104290227 PZLAHNFSDMTYRT-IUVQAAGXSA-N 321.380 2.439 0 40 DEAB COCCNC(=O)c1ccccc1NC(=O)C[C@H]1C=CCC1 25166516 DIYGXMMUNLZVAC-ZDUSSCGKSA-N 302.374 2.358 0 40 DEAB COc1ccc(CCN[C@H](C(N)=O)c2ccccc2)cc1OC 26163427 HLKHITYTLFAIBB-KRWDZBQOSA-N 314.385 2.063 0 40 DEAB CC(=O)N1CCN(C(=O)C23CC4C[C@@H](CC[C@H](C4)C2)C3)CC1 101024395 KHXVJPSWTIZKFM-RSIVFMTNSA-N 304.434 2.284 0 40 DEAB COc1ccc(C(N)=O)cc1NC(=O)CCc1ccsc1 44701001 VERXCLQPHRFPEN-UHFFFAOYSA-N 304.371 2.427 0 40 DEAB CC[C@H](O)CN(CC(=O)Nc1cc(C)no1)c1ccccc1 58331842 XFJCCOKVBULIRJ-AWEZNQCLSA-N 303.362 2.199 0 40 DEAB COc1c(C)cnc(CN(C)C(=O)[C@H](C)OCC2CC2)c1C 58363749 FGPNLWMDHAYEEE-ZDUSSCGKSA-N 306.406 2.481 0 40 DEAB Cc1nc(C(C)(C)C)sc1C(=O)NCC(=O)NC(C)(C)C 58355619 YMFXKQQSDBNGBQ-UHFFFAOYSA-N 311.451 2.394 0 40 DEAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCO2 28497881 MEZRWEBWUDSRMW-LBPRGKRZSA-N 311.403 2.411 0 40 DEAB CN(CC(=O)N1CCCC1)c1ncnc2cc(Cl)ccc12 12876670 ZQKCPKIXPGJADG-UHFFFAOYSA-N 304.781 2.342 0 40 DEAB O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)c1ccc(=O)[nH]c1 72273164 DVMPRLMPPDYSJK-YOEHRIQHSA-N 312.369 2.273 0 40 DEAB COc1ccc([C@@H](O)CNCc2cn(C)nc2C(C)C)cc1 48710154 XKEIEGLNDCYMTF-INIZCTEOSA-N 303.406 2.375 0 40 DEAB Cc1cc([C@H](C)C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)o1 72269027 CSVXDDIUCOXBNB-JQFCIGGWSA-N 320.433 2.058 0 40 DEAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1cccc(C)c1C 65417748 JRLJFIRAHZDXAY-UHFFFAOYSA-N 311.389 2.300 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)CN1CCCCC1)[C@H]1CCOC1 65501265 WTCRKOAUNSHNON-ROUUACIJSA-N 316.445 2.236 0 40 DEAB CN1CCc2ncnc(N(C)Cc3ccc(F)cc3F)c2C1 65563788 PIZYTJYEZKUYFL-UHFFFAOYSA-N 304.344 2.379 0 40 DEAB C[C@H]1CN(c2ccc(NC(=O)c3ccccn3)cn2)C[C@@H](C)O1 65547761 RIMZPFSPAKRBBS-BETUJISGSA-N 312.373 2.343 0 40 DEAB COC(=O)Cc1csc(NC(=O)[C@@H](OC)c2ccccc2)n1 65607545 VZODUWMWVYMJIE-ZDUSSCGKSA-N 320.370 2.185 0 40 DEAB CC(C)CCNC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 5561882 LUWZUFJJZWOKQO-XJKSGUPXSA-N 304.415 2.419 0 40 DEAB Nc1nc(N)nc(CSCCOc2ccccc2Cl)n1 8936178 JAFXUFLCLGKERI-UHFFFAOYSA-N 311.798 2.002 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cc(Cl)ccc1O 67139007 KEBGDEARCQIUCZ-MRVPVSSYSA-N 308.721 2.396 0 40 DEAB COc1cc(NC(=O)C(=O)N2CCCCCCC2)cc(OC)c1 80238509 CIBRCGLJEIAECD-UHFFFAOYSA-N 320.389 2.435 0 40 DEAB Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@@H]4C2=O)ccc1Cl 15947192 HAQHXXYVHFLMIV-BRXULGCHSA-N 319.744 2.019 0 40 DEAB Cc1cc2occ(CC(=O)OCC(=O)NC3CC3)c2cc1C 8394856 PYRZEOLSGVUBGQ-UHFFFAOYSA-N 301.342 2.414 0 40 DEAB COc1cc(-c2noc([C@@H](C)N3CCSCC3)n2)ccn1 91584430 XKCWQJYDAIIISN-SNVBAGLBSA-N 306.391 2.250 0 40 DEAB Cc1nc(C)c(CCC(=O)NCCC2=CCCCC2)c(=O)[nH]1 9500027 WAWLZOREJCJHGS-UHFFFAOYSA-N 303.406 2.326 0 40 DEAB NC(=O)c1ccc2c(c1)CCCN2C(=O)CCC(F)(F)F 97164814 LXXQGLLMWFPWNG-UHFFFAOYSA-N 300.280 2.407 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)OCCO[C@H]2CCCC[C@H]2C)c1C 71850398 FLZYWEIWRNLKSJ-RISCZKNCSA-N 322.405 2.149 0 40 DEAB COc1cccc(CCNC(=O)[C@@H](C(C)C)N2CCCC2=O)c1 71849914 JVVUOULNQYNGAF-QGZVFWFLSA-N 318.417 2.001 0 40 DEAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2F)no1 71846921 WBNFYXUNQYSCCR-CHNSCGDPSA-N 310.350 2.398 0 40 DEAB Cc1cc(C[S@](=O)[C@H](C)C(=O)N(C)Cc2ccccc2)on1 71859053 DSECTDRNUXREPY-MCMMXHMISA-N 320.414 2.279 0 40 DEAB CC[C@H]1CCCC[C@H]1OC(=O)C1CCC2(CC1)NC(=O)NC2=O 71913756 HHENHJDQDPGNPR-IRSUPMPHSA-N 322.405 2.267 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](NCc3cccnc3)C2)c1 83920109 DGVJYKAXBDVHAN-OAHLLOKOSA-N 313.401 2.467 0 40 DEAB Cn1cc(-c2nnc3sc(-c4cccc(F)c4)nn23)cn1 72401830 SWGXHPZQOQLIBH-UHFFFAOYSA-N 300.322 2.392 0 40 DEAB Cc1[nH]ncc1C(=O)NCc1cc(F)ccc1-n1ccnc1C 95404251 RMEZQCDBKRKKHT-UHFFFAOYSA-N 313.336 2.281 0 40 DEAB CO[C@@H]1CCCN(C(=O)[C@H](CC(C)C)N2CCCCC2=O)C1 95410130 UMQPZQHYBNGTNN-CABCVRRESA-N 310.438 2.051 0 40 DEAB NC(=O)CSCC(=O)N[C@@H](c1ccccc1F)C1CCCC1 88348987 XUQYMFVGSFOCDC-MRXNPFEDSA-N 324.421 2.392 0 40 DEAB CN1C(=O)C(O)=C(c2ccc3ccccc3n2)[C@H]1c1cnn(C)c1 95953131 ZEAKCEVGISCSRY-MRXNPFEDSA-N 320.352 2.451 0 40 DEAB COc1cccc(CNc2ccc(S(C)(=O)=O)nc2)c1OC 95949709 BXWOOYLWUDKWKX-UHFFFAOYSA-N 322.386 2.114 0 40 DEAB CC(C)c1ccc([C@H](N)CNS(=O)(=O)c2cccnc2)cc1 95972611 QBCTYQJNHFJMTH-MRXNPFEDSA-N 319.430 2.183 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 95962135 ZAVYWJKILKFIMV-UONOGXRCSA-N 321.808 2.465 0 40 DEAB Cc1ccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)c(C)c1 4314605 GPEPZAVEFSCTJC-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB Cn1cc(C(=O)O)c(C(=O)NC2CCC(C(C)(C)C)CC2)n1 36615489 GNPUYRMHUPSHMT-UHFFFAOYSA-N 307.394 2.453 0 40 DEAB CCn1ncc(Cl)c1C(=O)N1CCC[C@H]1Cc1ccnn1C 1551917391 DBCJMYUUOVMYHU-LBPRGKRZSA-N 321.812 2.137 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306132490 LKRUXHXGIDIKEV-HNNXBMFYSA-N 318.417 2.262 0 40 DEAB C/C=C/C=C/C(=O)NCC1CCN(C(=O)C(F)(F)F)CC1 74064363 PRDVSWBWZOGFTI-MQQKCMAXSA-N 304.312 2.036 0 40 DEAB COc1ccc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C=O)cc1OC 14930189 KKWQKDSIGOIGIK-PBWFPOADSA-N 319.357 2.012 0 40 DEAB biogenic CCOc1ccccc1-n1nnnc1SC[C@@H]1CCN(C)C1 187659341 PRDTXFJITOZIDS-GFCCVEGCSA-N 319.434 2.105 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)CCn1nccc1C 72385632 RYSDLSQGDAZTEW-AWEZNQCLSA-N 301.394 2.367 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 71280439 OKAMFMVXEIERJY-CHWSQXEVSA-N 301.298 2.088 0 40 DEAB Nc1cc(C(=O)O)ccc1Sc1nc(C(F)(F)F)n[nH]1 78406753 DBBBOHPVAIATCE-UHFFFAOYSA-N 304.253 2.255 0 40 DEAB O=C1N(c2ccccc2)Cc2nc(=O)n(CCc3ccccc3)n21 40267825 OGSKXBHQESTHDD-UHFFFAOYSA-N 320.352 2.276 0 40 DEAB Cc1cc(Br)cn(CCO[C@H]2CCCCO2)c1=O 194718869 AYZCIFRSLHEYEH-LBPRGKRZSA-N 316.195 2.462 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3C(=O)O)C2)cc1 575183935 OVFRDORJXCOSJG-JYJNAYRXSA-N 301.386 2.497 0 40 DEAB CSc1nnc(NS(=O)(=O)Cc2ccc(F)cc2)s1 223228461 QYISYVHAZFKSHM-UHFFFAOYSA-N 319.408 2.341 0 40 DEAB CCOC(=O)CCCSc1nc2sccc2c(=O)n1C 40460841 ZIKSXFOEIUDICN-UHFFFAOYSA-N 312.416 2.430 0 40 DEAB CC(C)(C)[C@H](NCc1cnn(-c2ccc(F)cc2)c1)C(N)=O 195573571 FJQUNOGDWIRFFP-CQSZACIVSA-N 304.369 2.001 0 40 DEAB Cc1noc(CN2CCN(C[C@H](C)c3ccc(F)cc3)CC2)n1 97103893 JFFJRYSVEHWLLA-ZDUSSCGKSA-N 318.396 2.438 0 40 DEAB CCOC[C@H]1CN(C(=O)N2CCCC2)Cc2cnn(CC)c21 96198359 LCDOUZBIOYESRI-CQSZACIVSA-N 306.410 2.055 0 40 DEAB O=C(CCn1cncn1)N[C@H](c1ccc(F)cc1)C(F)(F)F 96411246 RABCKCJILFCOFC-GFCCVEGCSA-N 316.258 2.227 0 40 DEAB CO[C@H](CNC(=O)N[C@@H](C)c1nc[nH]n1)c1ccccc1Cl 97234341 IVLKTIQGIPHIFV-JOYOIKCWSA-N 323.784 2.206 0 40 DEAB Cc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)nc1 97379064 BNASCIMWUFLABN-INIZCTEOSA-N 304.415 2.266 0 40 DEAB Cc1nn(C[C@H](O)CN2CCC(C)CC2)cc1Br 96499991 DXJBGRUWBWGQSU-GFCCVEGCSA-N 316.243 2.047 0 40 DEAB COCc1cnc2n1CCN(C(=O)COc1ccccc1)[C@@H]2C 96109556 MYGHCXMTZITSCR-CYBMUJFWSA-N 315.373 2.012 0 40 DEAB COc1cccc(CN(C)[C@H]2CCC[C@@H]3CN(C(N)=O)C[C@@H]32)c1 96183134 MBBSFDJRDCGLQW-PVAVHDDUSA-N 317.433 2.306 0 40 DEAB CCOc1cccc(C(=O)N2CC3(C[C@@H](OCC)CCO3)C2)c1 248377321 GHTRRQZELQJMPU-INIZCTEOSA-N 319.401 2.495 0 40 DEAB CNc1cc(C)nc([C@H]2CN(Cc3cncs3)CCO2)c1 257213704 CISUXVGSNDJQQG-OAHLLOKOSA-N 304.419 2.462 0 40 DEAB CCn1nc(C)c(CN2CCOC[C@@H]2c2nc(C)c[nH]2)c1C 257243494 IHGRJGARYOGCGO-OAHLLOKOSA-N 303.410 2.125 0 40 DEAB C[C@@H]1c2nc(C(=O)NC3CCCC3)cn2CCN1C1CCC1 253591800 QQVOJQZMMRAQSV-GFCCVEGCSA-N 302.422 2.485 0 40 DEAB O=C(C1=Cc2ccccc2OC1)N1CCO[C@H](c2ccncc2)C1 257262735 LMPPCGOMABATDH-SFHVURJKSA-N 322.364 2.458 0 40 DEAB O=C(CCOc1ccccc1)N1CCC[C@@H]1c1ccnc(O)n1 257344991 ZZMHLJGSZPZGNU-OAHLLOKOSA-N 313.357 2.315 0 40 DEAB CC(=O)N1CCO[C@H](c2cccc(Nc3cc(C)on3)n2)C1 257203093 AOQWPMJIZBCJSY-ZDUSSCGKSA-N 302.334 2.041 0 40 DEAB COc1ncccc1NC(=O)NC[C@@H](O)c1ccc(F)cc1F 48414393 XQAAHHVRYXJSPA-CYBMUJFWSA-N 323.299 2.224 0 40 DEAB CCCCNC(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 54507680 CITLGNNABVYKDT-UHFFFAOYSA-N 319.405 2.389 0 40 DEAB Cc1cccc(C[C@]2(CO)CN(Cc3cc(C)on3)CCO2)c1 1615143102 YBSFMWLSCMFHGE-GOSISDBHSA-N 316.401 2.097 0 40 DEAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1c(C)noc1C 16083822 JKYXZOIZKJKEPX-SECBINFHSA-N 310.375 2.340 0 40 DEAB O=C(N[C@H]1CCCN(c2ccccn2)C1)c1ccc2[nH]cnc2c1 153712141 HFICFCVWESKJMF-AWEZNQCLSA-N 321.384 2.357 0 40 DEAB O=C(NCC1(c2ccccc2F)CC1)N[C@H]1C[C@H]2CC[C@H]1O2 108105829 CWZQLUPPKNYFQY-BYCMXARLSA-N 304.365 2.476 0 40 DEAB CCc1ncnc(CC)c1C(=O)NCc1c(C)nn(CC)c1C 550545661 TUMALDPUSOSUDA-UHFFFAOYSA-N 315.421 2.365 0 40 DEAB COc1ccc(-c2n[nH]c(S[C@@H]3CCCCNC3=O)n2)cc1 21465321 FGYSVJBZRYXAHP-GFCCVEGCSA-N 318.402 2.241 0 40 DEAB NC[C@H]1CC[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 257353029 OXHGQIQVJJYKQL-CTYIDZIISA-N 313.405 2.030 0 40 DEAB Cc1nnc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)s1 1889077982 TZPLDHFUOBCGDF-UHFFFAOYSA-N 324.841 2.395 0 40 DEAB c1cnc(OC[C@@H]2CCCN(c3ncnc4c3CCC4)C2)nc1 1776000514 MCZRNHSGQMNVBQ-CYBMUJFWSA-N 311.389 2.051 0 40 DEAB O=C(NCCOc1cc(N2CCCCC2)ncn1)C1CCCC1 38520520 GWJMWFJPVIDZEH-UHFFFAOYSA-N 318.421 2.152 0 40 DEAB CSc1ccc(C(=O)Nc2nnc(C3=COCCO3)o2)cc1 4517693 YBWIBNLOUGYGFC-UHFFFAOYSA-N 319.342 2.389 0 40 DEAB CCCCOC[C@H](O)CN1CCN(c2ccc(F)cc2)CC1 23118557 FRIGCLUXWZWQPX-QGZVFWFLSA-N 310.413 2.125 0 40 DEAB CC(=O)OC(C)(C)C(=O)N[C@H](C)Cc1ccc2c(c1)CCO2 225601165 MKWFADJMBBNJAP-LLVKDONJSA-N 305.374 2.010 0 40 DEAB CCOCC(=O)NCC1CCN(C(=O)Oc2ccccc2)CC1 43983017 VGAKKGBVSSDNIW-UHFFFAOYSA-N 320.389 2.050 0 40 DEAB Cn1cc(C[C@H]2CC(=O)N(Cc3ccc(Cl)s3)C2=O)cn1 102703626 AEZDGTBGITWEQJ-JTQLQIEISA-N 323.805 2.253 0 40 DEAB C[C@@H]1CN(c2ccc(C(=O)NCc3ccco3)cn2)C[C@@H](C)O1 30017922 KSXLUQDEVLWNJT-CHWSQXEVSA-N 315.373 2.218 0 40 DEAB CCNC(=O)c1ccccc1NC(=O)CC1(C(=O)O)CCCC1 30521821 QZOSONJNWHUIPA-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 40489203 AYYDXTQBWQCEJW-UHFFFAOYSA-N 301.346 2.038 0 40 DEAB Cc1nc(COc2ccc(C(=O)N3CCSCC3)cc2)no1 40542230 LTNRQYOZLBRVIW-UHFFFAOYSA-N 319.386 2.146 0 40 DEAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCCO1 40534192 NYTXIFUKOCUELD-CVEARBPZSA-N 305.374 2.040 0 40 DEAB O=C(CCn1nc(-c2ccccc2)ccc1=O)NCc1ccco1 220190 WRVQKRFCRLGYRD-UHFFFAOYSA-N 323.352 2.210 0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 32269686 QCKIOSNAWILLPT-QGZVFWFLSA-N 318.461 2.437 0 40 DEAB O=C(Cc1cn2ccsc2n1)Nc1nnc(C2CC2)s1 21292368 SDIVRBYQZHKJAR-UHFFFAOYSA-N 305.388 2.306 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 29517562 HRQCGQIERBYERA-UKRRQHHQSA-N 300.402 2.135 0 40 DEAB CNC(=O)[C@H]1CCCN(CCOc2ccc(SC)cc2)C1 75721356 GTQNJQUGLNCSLK-ZDUSSCGKSA-N 308.447 2.245 0 40 DEAB Cc1nc(CN(C)[C@H]2CCN(Cc3sc(C)nc3C)C2)no1 76047366 JCDZDYLDQOTTJC-ZDUSSCGKSA-N 321.450 2.158 0 40 DEAB O=C(Nc1ncccn1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32795976 NMTLWYALLXTFFI-JTQLQIEISA-N 316.748 2.122 0 40 DEAB CC[C@@H](C)N(C)CCNC(=O)Nc1cccc(C(=O)N(C)C)c1 69321984 XQQPUKBVJSRCQE-CYBMUJFWSA-N 320.437 2.240 0 40 DEAB CN(CCN1CCCC1)S(=O)(=O)c1ccc(Cl)s1 69351764 SXVDMZLOLWJWAL-UHFFFAOYSA-N 308.856 2.118 0 40 DEAB COc1ccc2nc(C(=O)N3C[C@H](C)[C@H](N(C)C)C3)ccc2c1 78894634 WQUROYOMUVGSLQ-YVEFUNNKSA-N 313.401 2.266 0 40 DEAB C[S@](=O)C[C@@H](NC(=O)Cc1ccccc1O)c1ccccc1 78994038 DIULBLAFXWALCL-IVZQSRNASA-N 317.410 2.171 0 40 DEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1cccs1 3907143 NQVSTLDLHCPDDG-LBPRGKRZSA-N 319.390 2.367 0 40 DEAB Cc1ccc([C@H](C)n2cc(C(=O)NC[C@@H]3CCCO3)nn2)cc1 4504533 JSQDBGORPFZZBT-ZFWWWQNUSA-N 314.389 2.105 0 40 DEAB C[C@@H]1Sc2ccc(C(=O)NC[C@H]3CCCO3)cc2NC1=O 32975808 URKDRAUGXZBQLG-GXSJLCMTSA-N 306.387 2.028 0 40 DEAB O=S1(=O)CCCN1CCOc1ccc(-c2ccccc2)nc1 97046872 CGEUZIOTFFZKRI-UHFFFAOYSA-N 318.398 2.163 0 40 DEAB C[C@@H]1OCCN(C(=O)Nc2ccn(CC(F)(F)F)n2)[C@@H]1C 97048739 ZTIVEKBUCMFDFY-BDAKNGLRSA-N 306.288 2.087 0 40 DEAB CCN1CCOc2ccc(NC(=O)c3ccco3)cc2C1=O 9828123 POJGUGDIXKXBTK-UHFFFAOYSA-N 300.314 2.386 0 40 DEAB Nc1nccnc1C(=O)Nc1ncc(Cc2ccccc2)s1 23040006 WNVZBWVVWIDZQP-UHFFFAOYSA-N 311.370 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2.190 0 40 DEAB C[C@@H]1C[C@H](NC(=O)NCCC[C@@H]2CCCCO2)CN1C1CC1 97138003 TWGJUYFDSQAGRT-YCPHGPKFSA-N 309.454 2.260 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCN(Cc2cn3ccccc3n2)CC1 44889280 BLNGTZFMIFEBEL-INIZCTEOSA-N 324.428 2.335 0 40 DEAB CC[C@@H](NC(=O)NCc1nncn1CC)c1ccc(OC)cc1 44951181 NYXBFLZNKSVVJJ-CQSZACIVSA-N 317.393 2.257 0 40 DEAB CCN(CC)[C@H](CNC(=O)[C@H](C)n1ccnc1)c1ccco1 58354803 HAWLLWSFXXOADU-UONOGXRCSA-N 304.394 2.236 0 40 DEAB COc1ccccc1-c1cc(NC(=O)c2cnc(C)cn2)[nH]n1 58323605 XJRIYPCOWQYYSY-UHFFFAOYSA-N 309.329 2.436 0 40 DEAB Cc1cc(CN(C)C(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)no1 48253517 VRNHKKVMAUXKQO-IAQYHMDHSA-N 302.330 2.170 0 40 DEAB O=C(NCCCn1cncn1)NCc1csc2ccccc12 48252488 RFTIXOCVLVLFRZ-UHFFFAOYSA-N 315.402 2.382 0 40 DEAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCC(N)=O)c1 45756514 HOUUBTKADFTXIO-CYBMUJFWSA-N 306.406 2.267 0 40 DEAB Cc1cc(C(=O)N(C)Cc2ccccc2N2CCOCC2)no1 48309542 FQWVTHWSVJXYCZ-UHFFFAOYSA-N 315.373 2.092 0 40 DEAB Cc1noc(C)c1Cn1c(NC[C@@H](C)O)nc2ccccc21 48303054 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2.134 0 40 DEAB O=C(Cc1ccccc1Cl)N1CC(n2cc(C3CC3)nn2)C1 585149163 KHPZGMHBGODTBD-UHFFFAOYSA-N 316.792 2.435 0 40 DEAB O=C(NCCc1cccs1)NCc1nnc2n1CCCCC2 45570870 YITHLHOSEWYOEW-UHFFFAOYSA-N 319.434 2.108 0 40 DEAB c1cnn(-c2cncc(NCCCNC3CCCCC3)n2)c1 69161061 WHABKRYIXOXYEV-UHFFFAOYSA-N 300.410 2.387 0 40 DEAB CCC(=O)Nc1nnc2n(Cc3cccc(OC)c3)[nH]c(C)c1-2 101142488 CBQFTMUSECZZJI-UHFFFAOYSA-N 313.361 2.425 0 40 DEAB CC(C)N1CCC(N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)CC1 1615153807 BBNXRVWHYOZYFB-DOTOQJQBSA-N 307.482 2.192 0 40 DEAB CC(=O)N[C@H]1CCOC2(CCN(Cc3ncccc3C)CC2)C1 1616183694 LSADSUYCYXNHHC-INIZCTEOSA-N 317.433 2.040 0 40 DEAB Cc1nnsc1C(=O)NCC1(c2ccsc2)CCOCC1 952986318 KWBXYJWRHUQOOR-UHFFFAOYSA-N 323.443 2.386 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)COc1ccc(Cl)cc1C 5244746 JKVBORLNDJPLJB-NSHDSACASA-N 312.797 2.058 0 40 DEAB CCOC(=O)[C@@H](CNC)Cc1ccc(Br)cc1 12649746 DEIDCFATNLFLRJ-LLVKDONJSA-N 300.196 2.390 0 40 DEAB C[C@@H](OC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCCO2 16157600 QZYLCGPHACWRRO-SNVBAGLBSA-N 317.297 2.235 0 40 DEAB CCn1cnc2cc(NC(=O)c3ccc(C)n(C)c3=O)ccc21 19578287 BKDXDXFSWKMMDE-UHFFFAOYSA-N 310.357 2.316 0 40 DEAB O=c1[nH]c2ccc(S(=O)(=O)NC3CCCCCC3)cc2o1 19936341 JNWFMWATYMKNLO-UHFFFAOYSA-N 310.375 2.122 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCC[C@@H](C)C1)C(=O)[C@@H](C)O2 1362163 QPZYKTBEARCNSM-ZIAGYGMSSA-N 316.401 2.367 0 40 DEAB COC(=O)c1cc(CNc2cc(Cl)nc(N)n2)ccc1OC 32778760 OZXPGXUCIMSKTN-UHFFFAOYSA-N 322.752 2.120 0 40 DEAB CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(=O)NC)cc1 9820606 IRYVMAVFZLDSAB-KRWDZBQOSA-N 324.380 2.403 0 40 DEAB CN(C)Cc1noc2c1C[C@H](NC(=O)Cc1ccsc1)CC2 2055732750 YUQHPQIJRVRHOA-GFCCVEGCSA-N 319.430 2.014 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Cl 30287775 RRMGDRQKWYIXCH-UWVGGRQHSA-N 319.810 2.147 0 40 DEAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cn1 40142869 GBMJXAMVWOXJSH-UHFFFAOYSA-N 314.341 2.182 0 40 DEAB O=C1C[C@H](C(=O)N2CCc3ccccc32)CN1Cc1ccccn1 31273595 RKKYDOWGMXIXMS-HNNXBMFYSA-N 321.380 2.019 0 40 DEAB COc1cc(C(=O)N[C@H](C)Cn2cccn2)cc(Cl)c1OC 31388758 OMRWEXAOFTUBRQ-SNVBAGLBSA-N 323.780 2.372 0 40 DEAB Cc1sc2ncn(CCC(=O)N3CCCCC3)c(=O)c2c1C 40487983 NOOXLXUWDLSREI-UHFFFAOYSA-N 319.430 2.477 0 40 DEAB COC(=O)CCCN(C)C(=O)c1cnc2c(cnn2C(C)C)c1 32278411 OZMUQLPHOBVGGT-UHFFFAOYSA-N 318.377 2.037 0 40 DEAB CC(C)C[C@@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O 8313003 AMRRNQBJZSLMAK-HNNXBMFYSA-N 314.385 2.320 0 40 DEAB COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1OC 41194718 INOSGLVKSDLSNX-ZIAGYGMSSA-N 305.374 2.487 0 40 DEAB CCc1ccc([C@H](NC(=O)N2CCO[C@@H](CO)C2)C(C)(C)C)o1 78971304 HTEMROYGYSUDTD-HIFRSBDPSA-N 324.421 2.332 0 40 DEAB CCOC(=O)c1cc(NC(=O)NCCN2CCCC[C@@H]2C)c[nH]1 78954421 HMFMZLHAWKYBMP-LBPRGKRZSA-N 322.409 2.187 0 40 DEAB CCCn1nnnc1CNc1cc(F)ccc1-n1cccn1 79016822 UHJALISEPBSGLF-UHFFFAOYSA-N 301.329 2.020 0 40 DEAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)NCCOCCO 32802590 HHRYFRLVDNYDEG-OWOJBTEDSA-N 304.173 2.132 0 40 DEAB COc1ccc(C(=O)COC(=O)c2ccccn2)c(OC)c1 3520682 NOELEYHJHYLVDC-UHFFFAOYSA-N 301.298 2.139 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)cc1 32975824 OEGCQYWZXAHBDG-JKSUJKDBSA-N 318.417 2.045 0 40 DEAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccccc2)cc1C 479216 NZKFKLZFTCOLDT-UHFFFAOYSA-N 318.398 2.220 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 6640647 NYTNEFQCFWTCMA-APPZFPTMSA-N 313.256 2.146 0 40 DEAB COC[C@@H](O)CN(C)c1cnc2cc(Cl)c(Cl)cc2n1 97082392 LJDDHABNHLEMEU-QMMMGPOBSA-N 316.188 2.380 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCO2 8268673 RELFCIUXRFGQHO-CMPLNLGQSA-N 304.346 2.049 0 40 DEAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 103447439 FKRQMCOSLYAQKU-IJLUTSLNSA-N 316.405 2.161 0 40 DEAB O=C(NC[C@@H]1CCOC1)N(Cc1cccs1)C[C@H]1CCCO1 47067311 DPKNHKSWRCEFFG-UONOGXRCSA-N 324.446 2.475 0 40 DEAB C[C@H]1CN(C(=O)NCCCc2nc3ccccc3[nH]2)C[C@@H](C)O1 22431063 WORFJJHRUJXIRF-BETUJISGSA-N 316.405 2.314 0 40 DEAB COc1ccccc1NC(=O)Cc1nc2ccsc2c(=O)[nH]1 53847710 PUBHWFOSUNCFQK-UHFFFAOYSA-N 315.354 2.174 0 40 DEAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cn(C)nc1C 17031217 FIRAIBDRGJTPCI-UHFFFAOYSA-N 305.403 2.178 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)c1cnn(-c2ccccc2)n1 9754280 GLWRXGVMVNDTNC-UHFFFAOYSA-N 308.297 2.248 0 40 DEAB Ic1ccc(CO[C@@H]2CCNC2)cc1 42782970 JJWCKYABGXNQGC-LLVKDONJSA-N 303.143 2.170 0 40 DEAB COc1ccc(C(C)=O)cc1COC(=O)c1ccnc(C)n1 61788008 ABHWURALFUYDGH-UHFFFAOYSA-N 300.314 2.353 0 40 DEAB Cc1cnn(C2CN(Cc3csc(-c4cnn(C)c4)n3)C2)c1 72253873 FJCAFYNAEXUPSS-UHFFFAOYSA-N 314.418 2.105 0 40 DEAB CCCn1c(C)cc(/C=C/C(=O)N2CCC(C(N)=O)CC2)c1C 25706804 CFPDGUZJMDIPFB-AATRIKPKSA-N 317.433 2.252 0 40 DEAB CCOc1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 108374441 IQIVDINUMCMMFS-SLEUVZQESA-N 323.414 2.326 0 40 DEAB CON(C)C(=O)c1cccc(CS(=O)(=O)c2ccccc2)c1 44313685 HMRFNWUCEOAVPY-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB C[C@@H](NC(=O)CN1CCC(O)CC1)c1ccc2c(c1)CCCC2 26859100 STYZDXTYDHIWIO-CQSZACIVSA-N 316.445 2.199 0 40 DEAB O=C(O)c1sccc1S(=O)(=O)Nc1cccc2[nH]ncc12 37789791 VOHVBSFTDIFOKR-UHFFFAOYSA-N 323.355 2.123 0 40 DEAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@H]3CCCCN3C)C2)no1 72277934 KQCVBIJRBAWNBA-UONOGXRCSA-N 320.437 2.383 0 40 DEAB COc1ccc(NC(=O)N[C@H](C)C(=O)NC2CCCC2)cc1 58064748 JUSXSJARNUKZKX-LLVKDONJSA-N 305.378 2.264 0 40 DEAB COc1ccc(OC)c(CN(CC(=O)NC(C)C)C2CC2)c1 27603389 PZKPCMPALYLBEL-UHFFFAOYSA-N 306.406 2.193 0 40 DEAB NC(=O)CC1CCN(C(=O)NCc2ccc(Cl)s2)CC1 44970631 SLEIXMXUQALVGZ-UHFFFAOYSA-N 315.826 2.199 0 40 DEAB Nc1nccnc1C(=O)NCCOc1ccc2ccccc2c1 10310406 DKBRXZKMYMWBEX-UHFFFAOYSA-N 308.341 2.021 0 40 DEAB Cc1cc([C@H]2CCCN2CC(=O)NCc2cccs2)no1 27882998 AEECFYWGAKNQFY-CQSZACIVSA-N 305.403 2.498 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN(CCc2ccccn2)C1 58378452 XGROXEFZQOXRDK-CYBMUJFWSA-N 316.430 2.431 0 40 DEAB CCNC(=O)c1cccc(NC(=O)c2cn3ccccc3n2)c1 12627951 QHUQMHNNCOTMQY-UHFFFAOYSA-N 308.341 2.336 0 40 DEAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@H](C(=O)O)C1 62117840 GKHXDNFCTKEOTQ-MNOVXSKESA-N 311.765 2.349 0 40 DEAB CCOC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)OC 22058510 XFVTYJZJZLTYAQ-MRXNPFEDSA-N 304.346 2.388 0 40 DEAB in-vitro COCCNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 29463384 UQRUONKYBXSSIJ-UHFFFAOYSA-N 301.317 2.433 0 40 DEAB CCOCCOCC(=O)NCCSCc1ccccc1F 48310605 AWWQZTBHEKTLEF-UHFFFAOYSA-N 315.410 2.228 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1 28776120 WLOIOGZIARQOSI-UHFFFAOYSA-N 322.361 2.263 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 3411975 SGUCXISPTFDZAM-UHFFFAOYSA-N 319.382 2.247 0 40 DEAB CC[C@@H](C)NC(=O)COC(=O)COc1ccc(Cl)c(C)c1 3487443 UOSWOAPLHQXOMC-LLVKDONJSA-N 313.781 2.485 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cn2ccccc2n1 69951049 KOGONACNTSRXAR-IAGOWNOFSA-N 312.417 2.310 0 40 DEAB C[C@H](NC(=O)c1ccccc1O)c1ccc(S(C)(=O)=O)cc1 24211967 DWFJFRPYFLSPEF-NSHDSACASA-N 319.382 2.287 0 40 DEAB Cc1ccc2[nH]c3c(=O)n(CCCn4ccnc4)cnc3c2c1 5053866 UJGMYTDTHXCRJP-UHFFFAOYSA-N 307.357 2.473 0 40 DEAB O=C(O)c1ccc(CNCc2ccc(OCCO)cc2)cc1 13731060 MUDOAHZRXBAIET-UHFFFAOYSA-N 301.342 2.046 0 40 DEAB Nc1nc(N)nc(COc2ccc(OCc3ccccc3)cc2)n1 14136234 RNGYQKXWCIWUIL-UHFFFAOYSA-N 323.356 2.194 0 40 DEAB COc1cc(NC(=O)CNC(=O)C2CCCCC2)cc(OC)c1 14244761 COWYMZYGWPPNKN-UHFFFAOYSA-N 320.389 2.339 0 40 DEAB O=C(COC(=O)c1ccc2nccnc2c1)NCc1ccccc1 5421694 ZVGMDSGZVYHTEJ-UHFFFAOYSA-N 321.336 2.103 0 40 DEAB NC(=O)c1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)cc1 66848507 OFKTWZGKYLKBQY-QGZVFWFLSA-N 314.360 2.498 0 40 DEAB O=C1OCc2cc(NC(=O)[C@H]3COc4ccccc4O3)ccc21 4923172 HOVLAKHAVDCMKT-OAHLLOKOSA-N 311.293 2.136 0 40 DEAB C[C@@H](CNC(=O)c1cccc(Br)c1)n1cncn1 4988364 WTLDDMIYOWBPLV-VIFPVBQESA-N 309.167 2.032 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccccn1 67125705 NWZNWBBNMLEPJF-AWEZNQCLSA-N 319.405 2.487 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)C(=O)N1CCCCC1 67592073 ZEHJJLVJSRTFHS-APHBMKBZSA-N 318.392 2.446 0 40 DEAB COCCNc1nc(Nc2cccc(C)c2)c2cnn(C)c2n1 9273195 WIIXZFYTFAXRFQ-UHFFFAOYSA-N 312.377 2.474 0 40 DEAB CC[C@@H]1CN(C(=O)CNc2cc(F)c(F)c(F)c2)CCO1 83142819 UKYBDONNNHUGIS-SNVBAGLBSA-N 302.296 2.153 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2[C@H](C(N)=O)c2ccc(F)cc2)c1 70017313 PUZQOJYMBKNZAX-HOTGVXAUSA-N 316.380 2.022 0 40 DEAB CCc1nnc2n1CCN(c1ccnc(-c3ccccc3)n1)C2 70018331 LTWSNZMZYFRBNZ-UHFFFAOYSA-N 306.373 2.318 0 40 DEAB Cc1cnn(CCNCc2cccc(C(=O)NCC(C)C)c2)c1 70011516 GOVZJJPUWZMKSO-UHFFFAOYSA-N 314.433 2.367 0 40 DEAB O=S(=O)(Nc1cccc2[nH]ncc12)c1ccc2c(c1)COC2 70039600 UEBLKBYGKDFZNO-UHFFFAOYSA-N 315.354 2.394 0 40 DEAB Cc1cnc(C(=O)Nc2ccccc2-c2nnnn2C(C)C)cn1 97106998 RXUGDANQTSEPFQ-UHFFFAOYSA-N 323.360 2.272 0 40 DEAB Cc1csc([C@@H](C)CNC(=O)Nc2c(C)ccn(C)c2=O)n1 97113357 CLAQSAXLSARSHD-JTQLQIEISA-N 320.418 2.384 0 40 DEAB COc1cc(F)ccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 71850134 ZQDBCABISVKJPY-VIFPVBQESA-N 311.357 2.259 0 40 DEAB CCCn1c(S[C@@H]([C@@H]2CCCO2)C(F)(F)F)n[nH]c1=O 71911284 ZEEPPPLRTFDWLC-YUMQZZPRSA-N 311.329 2.183 0 40 DEAB CN[C@@H]1CCCN(C(=O)Cc2ccccc2Br)C1 84748032 RUILVXFVTIBWCH-GFCCVEGCSA-N 311.223 2.202 0 40 DEAB Brc1ccccc1N1CC[C@@H](N[C@@H]2CCOC2)C1 95967908 VIAOQOIXLJPNTJ-VXGBXAGGSA-N 311.223 2.406 0 40 DEAB CN1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2c2ccccc2)CC1=O 95954691 UBVXJKGUKCUJDB-HOCLYGCPSA-N 300.402 2.465 0 40 DEAB CC[C@@H]1CN(C(=O)c2n[nH]c(O)n2)CC[C@H]1c1ccccc1 74828125 FCCWPBOUOBHFNP-DGCLKSJQSA-N 300.362 2.166 0 40 DEAB C[C@H](NC(=O)CN1CCN(C)C[C@@H]1C)c1ccccc1Cl 89938957 JVVYYUJEHGHBQW-STQMWFEESA-N 309.841 2.153 0 40 DEAB CCOc1ccc(NC(=O)[C@@H](C(C)C)N2CCN(C)CC2)cc1 75572815 RXZYKEVYPWKCFW-QGZVFWFLSA-N 319.449 2.296 0 40 DEAB CONC(=O)c1cc(C)nc2c1cnn2Cc1cccs1 25827080 LUHNQIUYGXLXFI-UHFFFAOYSA-N 302.359 2.141 0 40 DEAB Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1C 28576209 AYZSMWIYTVJBPR-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB CN1C[C@H](C(=O)N[C@@H]2[C@@H]3CCC[C@H]3[C@@H]2c2ccccc2)CC1=O 409412834 PUMQYIXOZXTLCL-IFCWYPFCSA-N 312.413 2.163 0 40 DEAB CNC(=O)c1ccc(N2CCC[C@H]2Cc2cccc(F)c2)nn1 74741620 AFGQQWYTXKUUHA-AWEZNQCLSA-N 314.364 2.187 0 40 DEAB COC(=O)c1ccc(C(=O)OC)c(-c2ccc(C(=O)O)o2)c1 216772027 OWZRUNXJJMYLDC-UHFFFAOYSA-N 304.254 2.218 0 40 DEAB CC(C)[C@@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)O 218756546 FUKQTJVZMSUYNL-OAHLLOKOSA-N 314.389 2.288 0 40 DEAB O=C(COc1ccccc1F)NC[C@@]1(O)CCCc2occc21 1565522586 KVVVRBWIWMEQNV-KRWDZBQOSA-N 319.332 2.138 0 40 DEAB Cc1noc(C)c1C(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1 79482233 ISTRXDZKVSRNTJ-UHFFFAOYSA-N 315.308 2.392 0 40 DEAB COc1cc(N2CCCC[C@@H]2CNC(=O)OC(C)(C)C)ncn1 79438938 IFQIGVMEEOMYHG-GFCCVEGCSA-N 322.409 2.369 0 40 DEAB Cc1ccncc1CN(C)Cc1ccc(OCC(=O)O)cc1 565109190 CINHRXKWNPQRQQ-UHFFFAOYSA-N 300.358 2.485 0 40 DEAB Cc1nn(C)c2cn([C@@H](C)C(=O)N(C)Cc3cccs3)nc12 40715051 HYMVJDKKQJKKNJ-NSHDSACASA-N 317.418 2.359 0 40 DEAB CCS(=O)(=O)N1CC(CNCc2ccc(C)c(Cl)c2)C1 195450927 DYGXMCQQTFVMIC-UHFFFAOYSA-N 316.854 2.020 0 40 DEAB CCCC(=O)Nc1cccc(N2C[C@@H](C(=O)OCC)CC2=O)c1 45953966 PJZYZWKKRXFTJO-LBPRGKRZSA-N 318.373 2.341 0 40 DEAB N=C(N)SCc1nc(-c2ccccc2OC(F)F)no1 89262061 AGGAKUFCFWGZNM-UHFFFAOYSA-N 300.290 2.465 0 40 DEAB CCc1ccc(OCC(=O)N2CCC(C(=O)OC)CC2)cc1 47077004 GAEAPHSSPSBJTD-UHFFFAOYSA-N 305.374 2.039 0 40 DEAB COC(=O)c1ccc(NC(=O)NCCN2CCC[C@@H](C)C2)cc1 48374205 PHKZAIMSBHKCFW-CYBMUJFWSA-N 319.405 2.327 0 40 DEAB CCn1cc(CCN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)cn1 333134551 BIZZQESJTZUJIF-LJQANCHMSA-N 323.396 2.089 0 40 DEAB CC(=O)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3cccs3)CC[C@@H]21 96185567 RHNMGTCMOLVZLW-VYDXJSESSA-N 321.490 2.121 0 40 DEAB COCCN1C(=O)CCC12CCC(NCc1nccs1)CC2 96075837 UMVVZQSHAOLSBM-UHFFFAOYSA-N 323.462 2.183 0 40 DEAB CC[C@H](NC(=O)N[C@H](C)C(=O)N(C)C)c1ccc(F)cc1F 96415290 CDTQYPZTMCIMCY-RNCFNFMXSA-N 313.348 2.192 0 40 DEAB CCS(=O)(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 96427736 STECSDOQFAPWSJ-HNNXBMFYSA-N 318.398 2.306 0 40 DEAB O=S(=O)(c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 96200020 RBSSLZCQFJEMTD-UONOGXRCSA-N 323.439 2.115 0 40 DEAB Cc1nc(O)cc([C@H]2CN(Cc3ccc(C)s3)CCO2)n1 257291492 QHDYLLWQXAUZKH-CQSZACIVSA-N 305.403 2.434 0 40 DEAB CC(=O)N1CCN(Cc2cnn(C)c2C)[C@@H](c2ccccc2)C1 257291997 QJNJYRUBKNMALQ-GOSISDBHSA-N 312.417 2.134 0 40 DEAB COc1ccc2nc(I)c(CO)cc2c1 256053620 SDIMYXFCWIWSJO-UHFFFAOYSA-N 315.110 2.340 0 40 DEAB CC(=O)N1[C@@H]2CN(C(=O)c3ccno3)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257257411 KPLZCRUCMVSIGV-PWXKEOIMSA-N 317.389 2.069 0 40 DEAB CN(Cc1cnn(C)c1)C[C@H]1CCCN1C(=O)OC(C)(C)C 57860666 NSAQJZOMXPKBSR-CQSZACIVSA-N 308.426 2.251 0 40 DEAB C[C@@H]1CC(C)(C)NCCCN[C@H](C)CC(C)(C)NCCCN1 68604541 SHBUHHGAGPIXDR-HZPDHXFCSA-N 312.546 2.253 0 40 DEAB Cc1cc(C(=O)N2CCCC2)ccc1NCc1nccc(N)n1 84093492 LUARZHGWBLDLAW-UHFFFAOYSA-N 311.389 2.215 0 40 DEAB COC(=O)C[C@@H]1CN(Cc2cc(F)ccc2Cl)CCO1 98060040 XDFGYGZKXPZQPH-GFCCVEGCSA-N 301.745 2.243 0 40 DEAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1cccnc1 12145013 IRPFQEYDVULBNG-HNNXBMFYSA-N 309.373 2.281 0 40 DEAB NS(=O)(=O)c1ccc(NCc2cnc3ccccc3c2)cc1 1871679 QOKXTFFZAZKIAD-UHFFFAOYSA-N 313.382 2.494 0 40 DEAB in-vitro CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1cccnc1)C(=O)C2 100862488 BYFCTMDOBOCWLE-XHDPSFHLSA-N 308.403 2.219 0 40 DEAB Cc1ncnc(N(C)CC2CCN(c3ncccn3)CC2)c1F 1888854113 VLZKDDUZYWSICB-UHFFFAOYSA-N 316.384 2.067 0 40 DEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(c2ncccn2)C3)nc1 1888860289 NRGUDUAUEXDCNN-WMLDXEAASA-N 311.389 2.261 0 40 DEAB COc1cc2ccccc2cc1C(=O)N1CC(n2nccn2)C1 1849489836 JNNWOYSVGPLVIY-UHFFFAOYSA-N 308.341 2.137 0 40 DEAB CC(C)C(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 2037840815 SEDUNNAFIWGKRS-GOSISDBHSA-N 316.401 2.067 0 40 DEAB CCCC(=O)Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2 4105883 DODFBPHSLLNIRA-NRFANRHFSA-N 303.387 2.373 0 40 DEAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccn1)[C@H]1C=C[C@@H]2C12CC2 4143068 AJAREDDGADPXDS-LFSVMHDDSA-N 300.745 2.437 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccsc2)cc1 13724777 QFYJOTBYYZSXNE-UHFFFAOYSA-N 310.400 2.185 0 40 DEAB O=c1ccc2ccc(S(=O)(=O)Nc3cccc(O)c3)cc2o1 1775978412 RICQENVAPROPBT-UHFFFAOYSA-N 317.322 2.299 0 40 DEAB CC(C)[C@H](Cn1cncn1)NC(=O)c1ccc2ncsc2c1 575615299 CVWLAVKUDLMSFF-ZDUSSCGKSA-N 315.402 2.342 0 40 DEAB Cc1cc2ncc3c(n2n1)CC[C@@H](NC(=O)/C=C/c1ccco1)C3 618257574 XYIZQIYEHKSGHS-HZRUHFOJSA-N 322.368 2.318 0 40 DEAB O=C(Cn1nc(-c2cccs2)oc1=O)OCc1ccccc1 10597377 IPQUKTLZALZYTF-UHFFFAOYSA-N 316.338 2.308 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCO[C@@H]1CCCC[C@H]1C 40105711 OGMJPUSKXQEGEM-ZWNOBZJWSA-N 316.423 2.165 0 40 DEAB C[C@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)[C@H](C)CO1 40501888 UAKMXRIZIVQBRE-NEPJUHHUSA-N 321.352 2.397 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 29517558 HRQCGQIERBYERA-HIFRSBDPSA-N 300.402 2.135 0 40 DEAB Cn1nnnc1SCC(=O)c1ccc(Cl)cc1Cl 480108 JNQRROPPDOIUBL-UHFFFAOYSA-N 303.174 2.492 0 40 DEAB CCCCNC(=O)[C@@H](NC(=O)c1ccc(OC)cc1)C(C)C 2630181 SVPJAOQEKBRUJY-HNNXBMFYSA-N 306.406 2.366 0 40 DEAB O=C(NCCCOCC1CCOCC1)NC[C@@H]1CC=CCC1 76019967 NHRWCYIUWZIWEF-OAHLLOKOSA-N 310.438 2.475 0 40 DEAB COc1ccc(OC)c([C@H]2SCC(=O)N2c2nncs2)c1 1611108 KKEAREXXJQUIPA-GFCCVEGCSA-N 323.399 2.334 0 40 DEAB COC(=O)c1ccc(NC(=O)CCc2cc(OC)no2)cc1 79501950 NWGWMMMQSPCLSS-UHFFFAOYSA-N 304.302 2.041 0 40 DEAB COC(=O)[C@@H](C)OC(=O)c1cc2cnn(C(C)C)c2nc1C 32865264 UVXNRFYLOBCDCM-SNVBAGLBSA-N 305.334 2.039 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@H]2COc3ccccc3O2)c1 3553828 OUQNJUUESBOYJF-MRXNPFEDSA-N 312.325 2.424 0 40 DEAB COc1cccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 416072 OUMRTZONOLZJIW-UHFFFAOYSA-N 323.352 2.352 0 40 DEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(-n2cccn2)cc1 102795234 NDKHWDPKTPSUIA-HOTGVXAUSA-N 307.353 2.324 0 40 DEAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(-n2cccn2)cc1 102795230 NDKHWDPKTPSUIA-IYBDPMFKSA-N 307.353 2.324 0 40 DEAB CCCCNC(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 6648420 GTXUUNWTVRDPHC-FLIBITNWSA-N 308.359 2.232 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)N(C)c2cccc(C)c2)cs1 6681219 PWKRCAWKTNJEGF-UHFFFAOYSA-N 324.427 2.241 0 40 DEAB COc1ccc(CC(=O)NCCOc2ccc(OC)cc2)cc1 7815259 CDBHYRHIJKPOTK-UHFFFAOYSA-N 315.369 2.442 0 40 DEAB Cn1cc(-c2ccc3ccc(-n4ccc(C(=O)O)n4)n3c2)cn1 106807098 QKCGIHBPLYYJEI-UHFFFAOYSA-N 307.313 2.224 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(c2nccn2C)CC1 97020315 AJSMKONKSDKVTK-UHFFFAOYSA-N 323.400 2.172 0 40 DEAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)C1CCCC1 97082193 QUGICRZCUIDFIP-GOSISDBHSA-N 316.445 2.450 0 40 DEAB CCn1cc(CNC(=O)/C=C/c2cnn(CC)c2C)c(C)n1 2769055 STYGQGFNTPWDKI-BQYQJAHWSA-N 301.394 2.066 0 40 DEAB CCCc1nnc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)s1 22746685 PWBWRHYUVKCFGW-LLVKDONJSA-N 317.370 2.211 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1 41864054 GCCGABAOUYNOKD-UHFFFAOYSA-N 302.374 2.090 0 40 DEAB CCOc1ncccc1C(=O)N[C@@H]1CCCc2c1cnn2C 24992305 XVVGYETVVLPTSL-CYBMUJFWSA-N 300.362 2.021 0 40 DEAB C[C@H](C(=O)N(C)c1ccccc1)N1C(=O)c2ccccc2C1=O 1466709 GQEFNSLENJUXOB-GFCCVEGCSA-N 308.337 2.334 0 40 DEAB CC(C)Cc1ccc([C@H](C)C(=O)NCCN2CCOCC2)cc1 134569806 FKLNHULKLPRZCZ-INIZCTEOSA-N 318.461 2.437 0 40 DEAB COc1ccc(OC)c(NC(=O)CSc2cccc[n+]2[O-])c1 3222924 BIBBDJAVOJZQAU-UHFFFAOYSA-N 320.370 2.068 0 40 DEAB CCC12CN3CC(C)(CN(C1)C31CC(C)(C)NC(C)(C)C1)[C@H]2O 35572591 JRJSJTNALXNQSJ-RWBZWWBESA-N 321.509 2.032 0 40 DEAB Cn1ccc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1=O 44602921 GRPORAOREHOKBS-SFHVURJKSA-N 319.364 2.300 0 40 DEAB CCN(CC(=O)N[C@H](CC(C)C)C(=O)N(C)C)c1ccccc1 58158364 KIMGHKQIZCRFAU-MRXNPFEDSA-N 319.449 2.132 0 40 DEAB CCC(=O)N[C@H](CCSC)C(=O)Nc1ccc2c(c1)CCO2 58298436 ZDMCRKUIKSKQHD-CYBMUJFWSA-N 322.430 2.208 0 40 DEAB CCCN1CCC(NC(=O)c2cc(-c3ccco3)[nH]n2)CC1 58263882 VHGHTSCJFZVWPM-UHFFFAOYSA-N 302.378 2.274 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)c1c[nH]c2ccccc2c1=O 22233971 QFWOYYQOERXRFH-UHFFFAOYSA-N 322.320 2.187 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)c1cc(=O)n2ccccc2n1 10994158 YPQLAFFTPOBHCJ-UHFFFAOYSA-N 309.325 2.060 0 40 DEAB CC(=O)Nc1nc(CN(C)Cc2ccc3c(c2)OCO3)cs1 28730492 WTIDYCGWXNEBIL-UHFFFAOYSA-N 319.386 2.462 0 40 DEAB CC(=O)c1sc(N(C(=O)c2ccnn2C)C2CC2)nc1C 36613079 PKMQECWEKLZYIV-UHFFFAOYSA-N 304.375 2.197 0 40 DEAB Cc1ccc(C)c([C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c1 36728922 OCBCDTIKMOOOHP-CYBMUJFWSA-N 302.374 2.020 0 40 DEAB CCOC(=O)NCCC(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 48323980 SBXNROQHEBSXPY-NSHDSACASA-N 322.361 2.385 0 40 DEAB Cc1cc(C(=O)OCC(=O)NCCc2ccccc2)c(C)o1 3525228 UGGYAXDUUZCUCS-UHFFFAOYSA-N 301.342 2.412 0 40 DEAB CCCOc1ccc(OCC(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13170726 NWBHXPWLIINQTE-CYBMUJFWSA-N 321.373 2.177 0 40 DEAB COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1OC 13252582 YPHDSXOYHMVILX-RYUDHWBXSA-N 305.330 2.309 0 40 DEAB NC(=O)C1(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)CC1 69493908 QSJVRKAULFOPBG-UHFFFAOYSA-N 320.352 2.434 0 40 DEAB CCOC(=O)[C@H]1[C@H](c2ccccc2)N(C)O[C@]1(O)C(F)(F)F 4040132 GLBJBXFOTOHOLE-MDZLAQPJSA-N 319.279 2.035 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)NCc2csc(C)n2)cc1 17144095 JQVFXFXKFVZGGJ-UHFFFAOYSA-N 310.400 2.133 0 40 DEAB NC(=O)[C@@H](OC(=O)c1ccc(Cl)c(N)c1)c1ccc(F)cc1 14080458 AOUQPDNCJZCXIQ-ZDUSSCGKSA-N 322.723 2.445 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 65522806 SSOFCKCMZSSJMV-VLMQMFMZSA-N 316.401 2.211 0 40 DEAB COc1cccc(N2CC[C@H](CNc3ncnc4[nH]cnc34)C2)c1 65567162 RMEFOSSICZJKEI-GFCCVEGCSA-N 324.388 2.300 0 40 DEAB CC[C@H](C)[C@H](N)c1nnc(SCC(=O)N(CC)CC)o1 4512873 OXBKCYUEMHCNHG-ONGXEEELSA-N 300.428 2.076 0 40 DEAB Cc1cc(C)n(-c2cccc(NS(=O)(=O)c3cn[nH]c3)c2)n1 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CN1CCN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC1 19868138 IXQPPAMUUYMQIG-UHFFFAOYSA-N 321.852 2.192 0 40 DEAB O=C(CN1CCCOC1=O)N[C@@H]1CCC[C@@H]1c1ccc(F)cc1 84613717 QKQLCYULQUCEDX-HUUCEWRRSA-N 320.364 2.420 0 40 DEAB Cc1ncsc1CNC(=O)NCCc1nccn1C(F)F 71803972 JJDUJSYRYXQLRO-UHFFFAOYSA-N 315.349 2.085 0 40 DEAB Cc1ccc([C@@H](O)CNCc2cnc(N3CCCC3)nc2)cc1 71819645 SGBQAYKSGCHGQA-KRWDZBQOSA-N 312.417 2.208 0 40 DEAB COc1ccc(NC(=O)c2ccon2)cc1N1CCCCC1=O 83957199 XKJOIDUCMHZBBY-UHFFFAOYSA-N 315.329 2.452 0 40 DEAB CN1CC[C@H](NC(=O)c2ccon2)[C@@H]1c1ccc(F)c(F)c1 95449208 ZZXGTJUTGRCXMC-JSGCOSHPSA-N 307.300 2.128 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N[C@H]2c3ccccc3C[C@H]2O)c1 95442375 DIHQOAMSRUWXHB-CVEARBPZSA-N 321.373 2.071 0 40 DEAB NC(=O)NCCCCC(=O)N[C@H]1CCCC[C@@H]1C(F)(F)F 95947646 VZAGZVZYASQMBC-UWVGGRQHSA-N 309.332 2.062 0 40 DEAB Cc1cnn(CCCNC(=O)N(C)Cc2cc(Cl)cn2C)c1 89702480 KUTVDVVTASYVMR-UHFFFAOYSA-N 323.828 2.415 0 40 DEAB CCn1ccs/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 408562169 NSBYLXSZHGXIOA-NXVVXOECSA-N 322.386 2.336 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccc(C)cc1)CC2=O 20800604 CTFFCHQKASKYNO-GFCCVEGCSA-N 311.337 2.383 0 40 DEAB Cc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CC(C)C 555349601 BGNMHFPEUGJYPJ-AWEZNQCLSA-N 301.394 2.295 0 40 DEAB Cc1ccc(CN2CCN(Cc3ccon3)C[C@H]2CCO)cc1 36385816 RNQDALGHKDGXDQ-GOSISDBHSA-N 315.417 2.052 0 40 DEAB COC(=O)N1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2C)CC1 76985899 LVSTZAQCMJAPOV-HZPDHXFCSA-N 316.401 2.399 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32639783 KISPSSNMMSTCHC-KBPBESRZSA-N 324.471 2.398 0 40 DEAB CC(C)COCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 78999018 MPLUIBFMOSPKQQ-HOTGVXAUSA-N 324.465 2.204 0 40 DEAB CC(C)n1c([C@@H](C)NC(=O)c2cnccn2)nc2cccnc21 72342189 LDQOUIKJYRQVPC-LLVKDONJSA-N 310.361 2.293 0 40 DEAB CN1CCN(Cc2c(C3CCOCC3)[nH]c3ncccc23)CC1 72394985 YKVBNOSGPIJEBT-UHFFFAOYSA-N 314.433 2.204 0 40 DEAB COC(=O)c1cc(NC(=O)[C@@H]2CCCN(C)C2)ccc1Cl 73692201 DPZNNRLIBSGZJQ-SNVBAGLBSA-N 310.781 2.407 0 40 DEAB Cc1ncn(-c2ncc(Br)cc2Br)n1 2362803552 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COc1ccc(CC(=O)NCCCN2CCC(C)CC2)cc1 30757762 RKKARIDEFNUXAG-UHFFFAOYSA-N 304.434 2.476 0 40 DEAB CN(C[C@@H]1CCCCN1CC(=O)O)C(=O)OCc1ccccc1 79413683 DOCNFRTXBRYQCM-HNNXBMFYSA-N 320.389 2.194 0 40 DEAB Cn1ccnc1[C@H]1CCN(C[C@@H](O)Cc2cccc(Cl)c2)C1 565155184 CIAJXOXGLDIREB-HOCLYGCPSA-N 319.836 2.466 0 40 DEAB C[C@H](NC(=O)N1CCSCC1)c1ccc2c(c1)OCCO2 43482218 HXTPTGWAOSCYGG-NSHDSACASA-N 308.403 2.277 0 40 DEAB CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(O)nc2ncn(C)c12 565439864 WCCKJAYTDKDFCF-QWRGUYRKSA-N 320.418 2.078 0 40 DEAB CCc1cc(N2CC[C@]3(CCNC3)C2)nc(-c2ccncc2)n1 563696542 KREUKROHEWIGKH-SFHVURJKSA-N 309.417 2.291 0 40 DEAB Cc1ccccc1CNC(=O)[C@]1(C)Oc2ccccc2NC1=O 40776371 RTQKJLJEXZUWMN-SFHVURJKSA-N 310.353 2.401 0 40 DEAB CCN1CCN(c2c(Br)cc(N)cc2OC)CC1 45886003 XXYHQIYORWWRHR-UHFFFAOYSA-N 314.227 2.182 0 40 DEAB CCOC[C@H](O)CN1CCC[C@@H](c2nc3cc(C)ccc3[nH]2)C1 195549534 OAHCTCXKPQYQCV-HUUCEWRRSA-N 317.433 2.448 0 40 DEAB COc1ccnc(NC2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 191391105 MBPJUAMOLVHTOM-CYBMUJFWSA-N 316.405 2.244 0 40 DEAB CCOC(=O)[C@H](NCc1cnn(C)c1)c1ccc(Cl)cc1 192942922 WHCNIXZQSRNENT-CQSZACIVSA-N 307.781 2.468 0 40 DEAB CC(C)[C@@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccn1 96472672 HMWNOCHWDXAINU-DZGCQCFKSA-N 312.435 2.267 0 40 DEAB C[C@]1(NC(=O)Nc2ccccc2Cl)CCS(=O)(=O)C1 98072259 YOZLHMJVXAKFLX-LBPRGKRZSA-N 302.783 2.039 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CC1)CN(C(=O)C1=CCCC1)C2 96044945 UGBKZHISQYSKBF-OAHLLOKOSA-N 315.417 2.383 0 40 DEAB Cc1ncn(C[C@H](O)COCc2ccc(Cl)cc2)c(=O)c1C 97238464 KCWFTOZIVGBVMX-HNNXBMFYSA-N 322.792 2.091 0 40 DEAB CCOc1ccccc1[C@@H](CC)NC(=O)NCC[S@](C)=O 96408841 JZQCNVNGJUJKHC-LRTDBIEQSA-N 312.435 2.214 0 40 DEAB Cn1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 96491245 LOYJJAKPPAIRBT-UONOGXRCSA-N 305.765 2.334 0 40 DEAB Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCNC4)ccc23)n1 257310676 UGBVKZFLQUWZOR-GFCCVEGCSA-N 308.389 2.350 0 40 DEAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](Cc2cccnc2)C1 257312017 UMBRJPBIHYPRAM-AWEZNQCLSA-N 321.384 2.448 0 40 DEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCn2nccc2C)C1 257222106 DRYSEJJVKUDQQX-OAHLLOKOSA-N 315.421 2.094 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)c1ncccc12 261507589 KBWKUUCNRQFBPD-UHFFFAOYSA-N 304.346 2.478 0 40 DEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)C(C)C)C3)cs1 575405807 UWQFHNONMWNDRW-CQSZACIVSA-N 324.446 2.384 0 40 DEAB CO[C@]1(COc2ccccc2C)CCN(C(=O)c2cnco2)C1 585274384 KCGVFBRNCCXKKQ-QGZVFWFLSA-N 316.357 2.293 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)N(CCC(C)C)C2CC2)cc1 65593786 BXZOZOHDIWCULR-UHFFFAOYSA-N 324.446 2.245 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc(Br)cn1 71280140 FEOIIGRMOBHIIJ-DTWKUNHWSA-N 313.151 2.139 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)[C@@H]1CC=CCC1 75166795 CKQIKQFPEBLDBW-HUUCEWRRSA-N 304.390 2.125 0 40 DEAB NC(=O)C1(NC(=O)[C@H]2C[C@@]23CCCc2ccccc23)CCCC1 98015808 NMKIIIFXWPSEBZ-CRAIPNDOSA-N 312.413 2.195 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 5523011 HEQXLABLIIPJMB-BARDWOONSA-N 301.342 2.403 0 40 DEAB CCn1cc(S(=O)(=O)N2CCCc3cc(OC)ccc32)cn1 12239586 NGZOQDWNNQTZNO-UHFFFAOYSA-N 321.402 2.053 0 40 DEAB COc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(C2CC2)no1 15674793 RSJCHKWVCAOZEB-KGLIPLIRSA-N 315.373 2.264 0 40 DEAB biogenic,in-vitro NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(F)cc2)cc1 19169289 FNPNVWRQWBGOHB-UHFFFAOYSA-N 322.361 2.044 0 40 DEAB O=C(C[C@@H]1CSc2nccc(=O)n21)NC1CCCCCC1 14031028 ILDCVKCDXIHYCM-GFCCVEGCSA-N 307.419 2.119 0 40 DEAB C[C@H]1CCCCN1C(=O)CCn1cnc2sccc2c1=O 23192187 YPCNAMXRWCLJJW-NSHDSACASA-N 305.403 2.249 0 40 DEAB NC(=O)N[C@H](CC(=O)NCc1cccs1)c1ccccc1F 36396030 FDEWGVMGZPKALZ-CYBMUJFWSA-N 321.377 2.303 0 40 DEAB Cc1ccc2c(CC(=O)NCc3cccnc3)cc(=O)oc2c1 9704838 XQDZHFTVDJTLFI-UHFFFAOYSA-N 308.337 2.355 0 40 DEAB Cc1nc(NC(=O)c2cc(Cl)ccn2)sc1C(=O)N(C)C 38680005 YGUGPQLMDINPFJ-UHFFFAOYSA-N 324.793 2.454 0 40 DEAB CN(Cc1ccccc1)C(=O)Nc1ccc(-n2cnnn2)cc1 40526637 LNUKBIKMXZVFTJ-UHFFFAOYSA-N 308.345 2.326 0 40 DEAB CC(=O)N(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(C)cc1 101142806 VXQYZRWZVMFPSK-XJNFMUPTSA-N 324.380 2.113 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101359209 MVROWXTYGUZCIV-QHSBEEBCSA-N 323.348 2.175 0 40 DEAB COCCN1C(=O)CC[C@H](C(=O)O)[C@@H]1c1cccc(C)c1C 69492102 GJYHRETVQHQGPC-HOCLYGCPSA-N 305.374 2.314 0 40 DEAB Cc1noc([C@@H]2COCCN2C(=O)N2[C@@H](C)CCC[C@H]2C)n1 102103747 LSIFIEHACITUOD-LOWVWBTDSA-N 308.382 2.134 0 40 DEAB COc1ccc([C@H](CNC(=O)c2ccccc2O)N(C)C)cc1 2657938 QTTNRPRHBVSVQJ-INIZCTEOSA-N 314.385 2.434 0 40 DEAB CC(C)(O)CN(c1nccs1)S(=O)(=O)c1ccccc1 60569638 NVJSYWWXPFFQLY-UHFFFAOYSA-N 312.416 2.109 0 40 DEAB CC[C@H](C)n1ncc2c(C(=O)NC[C@@H](C)N(C)C)cc(C)nc21 69420895 DWKVNDZEDRIHAL-QWHCGFSZSA-N 317.437 2.391 0 40 DEAB Cc1cc(C(F)F)nn1CC(=O)Nc1ccc(C(=O)O)cc1 2767780 DNSKFISWGVKAOH-UHFFFAOYSA-N 309.272 2.466 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1ccccn1 78880326 RELZFDZXODTRLG-WMLDXEAASA-N 300.406 2.299 0 40 DEAB CCc1nnc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 78890788 IRLIBPXBEPNCON-LLVKDONJSA-N 303.366 2.272 0 40 DEAB CC(=O)N1CCC(NC(=O)CCc2ccc(F)c(F)c2)CC1 32817883 ITELMPHEKIKDSJ-UHFFFAOYSA-N 310.344 2.025 0 40 DEAB CC(C)(C)C(=O)Nc1nnc(-c2ccc3c(c2)OCCO3)o1 4107165 VMKURRJPUSHSMF-UHFFFAOYSA-N 303.318 2.492 0 40 DEAB CC(C)COCCCNC(=O)c1ccc(N2CCOC2=O)cc1 32924229 XGVQYYLAGQUDDC-UHFFFAOYSA-N 320.389 2.436 0 40 DEAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1ccccc1F 6679940 WRUTYMPELSWOLJ-UHFFFAOYSA-N 314.363 2.095 0 40 DEAB O=C1C[C@@]2(CCc3ccccc32)C(=O)N1Cc1noc(C2CC2)n1 96004432 YTAXLZVSUMGYGE-GOSISDBHSA-N 323.352 2.090 0 40 DEAB O=C(CNC(=O)c1ccccc1)OCc1nc2ccccc2o1 8447361 RHLAQGCMUOKJPC-UHFFFAOYSA-N 310.309 2.301 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cncc(Br)c1 46995746 IHJSOCJGOCQQFX-QWHCGFSZSA-N 324.222 2.201 0 40 DEAB CN(CCOc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 21917013 CMJNSTJICHNXRM-UHFFFAOYSA-N 315.398 2.495 0 40 DEAB C[C@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)O 37370959 GFTJFVJVDXRQCG-DTORHVGOSA-N 303.405 2.398 0 40 DEAB in-vitro Cn1ncc2c1CCC[C@@H]2NC(=O)NOCc1ccccc1 41417372 OMLKMDRNEAACEQ-AWEZNQCLSA-N 300.362 2.229 0 40 DEAB CN1CCN(C(=O)c2ccnc(OCc3ccccc3)c2)CC1 52979645 KUFHJPUAZUXPOG-UHFFFAOYSA-N 311.385 2.048 0 40 DEAB Cc1cccc(-c2nnc(SCC(=O)OC(C)C)n2N)c1 532917 GZVWEVKBEMSRPZ-UHFFFAOYSA-N 306.391 2.011 0 40 DEAB CN(C)CCCC(=O)Nc1n[nH]c2nnc(-c3ccccc3)cc12 12354907 LDHIZDYQCCLGRS-UHFFFAOYSA-N 324.388 2.300 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)CCCNc2ncccn2)on1 53402433 GROYPKYAFSMASB-CYBMUJFWSA-N 315.377 2.329 0 40 DEAB O=C(c1ccc(=O)[nH]n1)N(Cc1c(F)cccc1Cl)C1CC1 41999865 KNUBGGULOMLDDI-UHFFFAOYSA-N 321.739 2.367 0 40 DEAB Cc1ccc(OCC(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 22635387 ZQUIDADWDAPNTE-GFCCVEGCSA-N 318.329 2.241 0 40 DEAB CC(C)Oc1ncc(C(=O)Nc2c[nH]ccc2=O)cc1Cl 54777525 VLMLNGHLNVUMNW-UHFFFAOYSA-N 307.737 2.463 0 40 DEAB CCC(=O)Nc1nc(COc2ccc(F)cc2)nc(N(C)C)n1 1429003 PSTALRFBIDKRQO-UHFFFAOYSA-N 319.340 2.004 0 40 DEAB Cc1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)s1 25290132 UTYARQKBSKBZRU-UHFFFAOYSA-N 317.414 2.218 0 40 DEAB CS[C@@H]1CCC[C@@H]1N(C)Cc1nnnn1-c1ccccc1 110642408 HKIKNKWEUSPDJX-UONOGXRCSA-N 303.435 2.378 0 40 DEAB Cc1ccc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1F 27171306 HTGPQCCKVOTCFO-UHFFFAOYSA-N 311.320 2.244 0 40 DEAB CC(=O)N(CCCNC(=O)[C@@H]1COc2ccccc2C1)C(C)C 58045465 GZQGVTGPEPIBNA-INIZCTEOSA-N 318.417 2.001 0 40 DEAB CCO[C@@H](CC)C(=O)NCc1cc(OC)c(OC)cc1OC 48285944 NXTJDUPWWRTEAD-LBPRGKRZSA-N 311.378 2.144 0 40 DEAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)o1 27401657 RTBLZHRDXUVWEV-LLVKDONJSA-N 322.386 2.069 0 40 DEAB CCOC(=O)N(C)CC(=O)N[C@H](c1nc(C)cs1)C1CC1 72297313 LVTSBEQXVDRPBJ-LBPRGKRZSA-N 311.407 2.107 0 40 DEAB Cc1nc(CCNC(=O)NC[C@H](O)c2ccccc2F)cs1 44955345 QFFXDEYOAAJOEN-AWEZNQCLSA-N 323.393 2.166 0 40 DEAB O=C(Nc1cccc(C(=O)NC2CC2)c1)N[C@@H]1CCCC[C@H]1O 58330086 NLMXNSPWCUDGSX-HUUCEWRRSA-N 317.389 2.004 0 40 DEAB Cn1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 10507147 GFVNUXYIOHFRIY-UHFFFAOYSA-N 307.737 2.026 0 40 DEAB COCCN1C[C@@H](C(=O)N[C@@H](c2cccs2)C(C)C)CC1=O 45310647 RVUUOHDWYKOQHQ-SWLSCSKDSA-N 324.446 2.056 0 40 DEAB COc1cccc([C@@H](NC(=O)CCSC)c2nccn2C)c1 29098455 HSLFQBHEWQTFNW-OAHLLOKOSA-N 319.430 2.387 0 40 DEAB O=C(CCc1nc(-c2ccncc2)no1)N1CCCCCC1 45765680 DDBGYKPPBRFPHB-UHFFFAOYSA-N 300.362 2.467 0 40 DEAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(F)c(Cl)c1 3441934 KIMRAUKIZSFDBZ-JTQLQIEISA-N 320.817 2.242 0 40 DEAB O=C1C(=O)N(Cc2cccc(F)c2)C(=O)N1Cc1ccccc1 12980137 WILQSHAIYORFDY-UHFFFAOYSA-N 312.300 2.317 0 40 DEAB CCCCNC(=O)C1CCN([C@@H](CCC)C(=O)OCC)CC1 69921220 GVEKGGBBKQFRGR-HNNXBMFYSA-N 312.454 2.347 0 40 DEAB O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCCCCC1 8578620 KOSLGRQVKQNCJB-UHFFFAOYSA-N 317.414 2.418 0 40 DEAB C[C@@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)Nc1ccccc1 8503967 PIHXJOHQHJQOIH-SECBINFHSA-N 304.375 2.026 0 40 DEAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@H]1Cn1cccn1 69770198 BEQRQLDAMSJSCW-MRXNPFEDSA-N 321.384 2.374 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)O 5148628 AWWFLAVCZRAGFN-RNCFNFMXSA-N 310.350 2.325 0 40 DEAB CCc1ncc(C(=O)N2CCC(c3nc(C)no3)CC2)s1 65533519 FDBLJRNLLKFEMH-UHFFFAOYSA-N 306.391 2.417 0 40 DEAB C[C@@H](NCCOc1ccccc1F)C(=O)NCc1ccccc1 6587208 ISIXNWJBNPOVEZ-CQSZACIVSA-N 316.376 2.499 0 40 DEAB CN(C)CC(C)(C)CNCc1ccccc1N1CCOCC1 66969723 OFJSSAQQFDEIPN-UHFFFAOYSA-N 305.466 2.201 0 40 DEAB CN(C)C[C@@H]1CCCCN1C(=O)COc1ccc2c(c1)CCC2 66948712 DPSSVDPQLXZTCD-KRWDZBQOSA-N 316.445 2.497 0 40 DEAB CC[C@@H](NS(=O)(=O)c1ccc(F)c(C)c1)c1noc(C)n1 80793815 ZBONXAJZINMZLG-GFCCVEGCSA-N 313.354 2.255 0 40 DEAB Fc1cccc(-n2nnnc2SCCN2CCCCC2)c1 7735578 QJJBKZPXSBNJQL-UHFFFAOYSA-N 307.398 2.379 0 40 DEAB COc1cccc(C(=O)OCC(=O)NCc2ccccc2F)c1 7897109 BTAGQADVTRGJNY-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cc1ccc(-n2nnnc2NC[C@@H](c2ccco2)N(C)C)cc1 68658608 DCSFFXQJAXSIAW-AWEZNQCLSA-N 312.377 2.279 0 40 DEAB COc1cccc(CNC(=O)Cc2cn3ccsc3n2)c1 8278299 YBGFHRVXDLNRHB-UHFFFAOYSA-N 301.371 2.263 0 40 DEAB C[C@H](NCC(=O)NCCC1=CCCCC1)[C@@H](C)n1cccn1 70003958 IAIWUVIMEAHIIX-LSDHHAIUSA-N 304.438 2.429 0 40 DEAB O=c1[nH]c(O)nnc1SCc1c(Cl)cccc1Cl 16940823 KDAMATXPCXYUDI-UHFFFAOYSA-N 304.158 2.470 0 40 DEAB O=C(O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 17055386 VSTZDMISMFWZQO-JKSUJKDBSA-N 320.433 2.130 0 40 DEAB Cc1ccc(SCC(=O)N[C@@H](C)CCN2CCOCC2)cc1 72283824 HIWBMMQLUWPYEC-HNNXBMFYSA-N 322.474 2.314 0 40 DEAB CCN(Cc1cccc2c1OCCO2)C[C@H](O)C(F)(F)F 97141800 LVJLRSYHTBAZPL-LBPRGKRZSA-N 305.296 2.203 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 71836577 OOBTUDQMHQRORW-JTQLQIEISA-N 324.384 2.369 0 40 DEAB Cc1ncsc1C(=O)N1CCCN(Cc2ccccn2)CC1 71824842 OWISLWPKKQWQCP-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)c1 71866858 BOVOCSSHTXTJNY-NVXWUHKLSA-N 311.385 2.186 0 40 DEAB CN(C)[C@H]1CCC[C@@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 71922380 MJTOQOKVUNZWFM-IUCAKERBSA-N 314.315 2.038 0 40 DEAB O=C(/C=C/c1cnccn1)NC[C@@H]1CCN(c2ccccc2)C1 84549443 VGDFVIWLLQISDX-LFAOLKIESA-N 308.385 2.133 0 40 DEAB CN(Cc1cnn(C)c1C(F)(F)F)C1CCC(CO)CC1 95442003 GLASSIHYEZKYKC-UHFFFAOYSA-N 305.344 2.422 0 40 DEAB C[C@@H](Sc1ncc(CO)n1C)c1cn(-c2ccccc2)nn1 95414725 XUMVFSVTNPVVMJ-LLVKDONJSA-N 315.402 2.346 0 40 DEAB CC1CCC(N(C(=O)NCc2nnc3n2CCC3)C2CC2)CC1 95419063 TYINITRWCXNATJ-UHFFFAOYSA-N 317.437 2.477 0 40 DEAB O=C([C@H]1OCCc2ccccc21)N1CCCC[C@H]1c1nc[nH]n1 95989310 OLPDARSYLSPXMU-GJZGRUSLSA-N 312.373 2.172 0 40 DEAB Cc1cnc(NC(=O)c2ccnc(OCCN(C)C)c2)s1 95979906 DUWNJOGGWKNGDS-UHFFFAOYSA-N 306.391 2.039 0 40 DEAB CC(=O)NCCCS(=O)(=O)c1nc(-c2ccccc2)cs1 95977395 UVCKRYYKLLMHJP-UHFFFAOYSA-N 324.427 2.110 0 40 DEAB COCC(COC)OC(=O)c1ccc(Br)s1 89409766 YSNKIONCFLGNOA-UHFFFAOYSA-N 309.181 2.329 0 40 DEAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(C)cc2)cc1OC 72227453 JRFZBBWKWWBKPV-SJORKVTESA-N 312.369 2.427 0 40 DEAB Cc1cccc(CC(=O)NCC[S@@](=O)c2ccccc2)c1 78914718 GQPBGQFFCJSGAW-NRFANRHFSA-N 301.411 2.462 0 40 DEAB CCOC(=O)CN(C)CCc1nc(-c2ccc(Cl)cc2)no1 77271647 HRZCRWVUAAJIHY-UHFFFAOYSA-N 323.780 2.427 0 40 DEAB COCC(=O)NCCn1ccc2ccc(Br)cc21 72402046 BVNCHKVCUXMYMH-UHFFFAOYSA-N 311.179 2.166 0 40 DEAB CC[C@H](Nc1cccc(COC[C@H]2CCCCO2)c1)C(N)=O 79029672 YZAQYSLFIJFPIQ-CVEARBPZSA-N 306.406 2.448 0 40 DEAB C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC[C@@H]2CCCO2)C1=O 188960738 MFOVUQCDZRKJBE-ZBEGNZNMSA-N 324.327 2.301 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC 36585244 NNMIXCYAZIILED-IUODEOHRSA-N 304.390 2.342 0 40 DEAB Cc1cccc(C(=O)NCCCn2ncc3c2c(C)nn3C)c1 72240918 GYFJKPUDDNHGLW-UHFFFAOYSA-N 311.389 2.207 0 40 DEAB COc1ccc2oc(=O)c(C(=O)NCc3ccncc3)cc2c1 226038083 VBRKVGBHVJFYQS-UHFFFAOYSA-N 310.309 2.127 0 40 DEAB CN(c1ccc2sc(C(=O)NC3CC3)cc2c1)S(C)(=O)=O 46057958 BAPKMYFDDLNXQW-UHFFFAOYSA-N 324.427 2.189 0 40 DEAB CCC[C@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)O 195551833 OLOLZXHLOHTCIN-ZDUSSCGKSA-N 319.361 2.374 0 40 DEAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)c1cccnc1 225753323 ANVQEFAJFBQSQM-UHFFFAOYSA-N 315.354 2.215 0 40 DEAB CCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)O 195551788 ONXOYVKNEKJUCP-ZDUSSCGKSA-N 301.346 2.164 0 40 DEAB Cn1nccc1[C@H](CO)NCc1ccsc1C(F)(F)F 529601006 QLGYRBVVMCBUCD-VIFPVBQESA-N 305.325 2.324 0 40 DEAB CC(C)(C)[C@@]1(C)NC(=O)N(Cc2noc(-c3ccoc3)n2)C1=O 225579403 VPNIMEGSRZRRBJ-HNNXBMFYSA-N 318.333 2.186 0 40 DEAB COc1cc(CN(C)C(=O)c2coc(C)n2)cc(OC)c1OC 225890181 HSWWURDPFXIBIH-UHFFFAOYSA-N 320.345 2.281 0 40 DEAB CCO[C@@H]1C[C@@](O)(CNC(=O)c2ccncc2Cl)C1(C)C 225612650 YXHHHIOZXSMOKE-IUODEOHRSA-N 312.797 2.031 0 40 DEAB COC(=O)c1cc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 96511686 YLENPDGHJKPTFG-JTQLQIEISA-N 309.366 2.311 0 40 DEAB CC[C@H](CO)NC(=O)c1ccc2ccc(N(C)CC3CC3)n2c1 96146164 CJARHTREXXNEFM-OAHLLOKOSA-N 315.417 2.286 0 40 DEAB c1ccc(CCN2CCn3c(Cn4cccn4)cnc3C2)cc1 96201118 ZSWGIRBKWZRSFW-UHFFFAOYSA-N 307.401 2.186 0 40 DEAB O=c1c2ncn(-c3ccccc3)c2ncn1Cc1nccs1 577817412 AMOHWUPELAELFO-UHFFFAOYSA-N 309.354 2.087 0 40 DEAB COc1ccc(C(=O)N[C@H](C)c2onc(C)c2C(=O)O)cc1 96297008 SGCOLRKCFITSSU-SECBINFHSA-N 304.302 2.181 0 40 DEAB biogenic,in-vitro Cc1nccn1CCCCNC(=O)N[C@@H](C)c1ccccn1 96437605 GPZDFHMWXPDKEZ-ZDUSSCGKSA-N 301.394 2.427 0 40 DEAB Cn1nc(C(=O)N(Cc2ccoc2)C2CCCCC2)ccc1=O 96423075 SNIYKFSEOJRPHT-UHFFFAOYSA-N 315.373 2.348 0 40 DEAB Cc1nn2cccnc2c1C(=O)O[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C 96442485 IQHAHLSGNOGCIQ-FPMFFAJLSA-N 315.373 2.398 0 40 DEAB CN(CCc1cnccn1)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 538865811 DUGXWOAIYKWSQP-UHFFFAOYSA-N 324.384 2.021 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N2CCN3CCC[C@H]3C2)c(C)c1 252445490 PGEIZJSFZFELLW-HOTGVXAUSA-N 302.418 2.377 0 40 DEAB CC(C)(C)c1ccc(S(=O)(=O)N2CC(N3CCCC3)C2)cc1 1252017242 VYLCTMRKPAANRE-UHFFFAOYSA-N 322.474 2.453 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 257317331 VJIKCMKSAFWUTK-MRXNPFEDSA-N 312.417 2.409 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@@H](Cc2ccn[nH]2)C1 257211108 BXNIBHURNBGWPG-ZDUSSCGKSA-N 317.364 2.409 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CN(Cc3cncs3)CCO2)n1 257223795 DYWYPDLGAUJEML-MRXNPFEDSA-N 318.446 2.486 0 40 DEAB Cc1noc(C)c1C(=O)N1CC[C@@]2(CCC[C@H]2C(=O)N(C)C)C1 585103157 RXKSZONKCOAOFC-GUYCJALGSA-N 319.405 2.012 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc12 71796832 YUNMOWMTLSYLSF-AWEZNQCLSA-N 311.345 2.242 0 40 DEAB C[C@H]1CNCC[C@@]1(O)Cc1cccc(Br)c1F 1083806398 URBDRSKDZYZNFV-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB O=C(CCc1nc(-c2ccsc2)no1)NC[C@H]1CCCO1 40467535 KEGGXSSOTXZXRA-LLVKDONJSA-N 307.375 2.026 0 40 DEAB C[C@H](NC(=O)CCn1ccnn1)C12CC3CC(CC(C3)C1)C2 12882790 ACRPYNNHJGXBEZ-ORVZXPRGSA-N 302.422 2.389 0 40 DEAB NNc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(F)c1 15424548 FVEMMODADUSROL-UHFFFAOYSA-N 304.712 2.464 0 40 DEAB Cc1nn(C)cc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 19583746 YYRGCSQCMRMMDT-AWEZNQCLSA-N 324.388 2.163 0 40 DEAB Cc1ncncc1C(=O)N1CCC([C@H]2CCCCN2C)CC1 19746992 PXERLRFWFPWHFW-MRXNPFEDSA-N 302.422 2.122 0 40 DEAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 169685313 INNBGZYVIPYMGZ-YRBFXIGRSA-N 313.353 2.308 0 40 DEAB O=C(c1ccccc1Br)N1CC[C@H](n2ccnn2)C1 206931308 IEMHLZIWGUKRLJ-JTQLQIEISA-N 321.178 2.128 0 40 DEAB CC(C)[C@H](C)NC(=O)Cn1ccnc1[C@H](O)c1ccccc1 154862012 AUHHYEUNKCVVJP-XJKSGUPXSA-N 301.390 2.126 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@H](c3cnccn3)C2)no1 607854888 JTOVRHSGQYWENU-LBPRGKRZSA-N 300.362 2.437 0 40 DEAB Cc1c(O)ccc2c(CSc3nncn3C)cc(=O)oc12 6063146 ILXYQXVDXRVGGM-UHFFFAOYSA-N 303.343 2.228 0 40 DEAB CC(C)(C)OC(=O)N1[C@@H](c2ccc(F)cc2)COS1(=O)=O 584644151 YHKBCMZOALUBAA-LLVKDONJSA-N 317.338 2.379 0 40 DEAB CCc1noc(C)c1C(=O)N1CCO[C@@H](c2ccncc2)C1 1848352151 MPQODDDIKFOBLA-CQSZACIVSA-N 301.346 2.154 0 40 DEAB Cc1cccc(OC[C@@H]2CCCN(Cc3noc(C)n3)C2)n1 1849307408 VORYXIHLKWWWFG-CQSZACIVSA-N 302.378 2.372 0 40 DEAB COC[C@H](C)NC(=O)CCCc1nnc(-c2ccccc2)o1 32481352 LUSDUFGXSFURBN-LBPRGKRZSA-N 303.362 2.210 0 40 DEAB COc1ccc(CCN(C)c2cc(=O)n3ccccc3n2)cc1 2087045636 YCKOXAABSPGGMH-UHFFFAOYSA-N 309.369 2.382 0 40 DEAB Cc1cccc(NC(=O)NCc2nnnn2-c2ccccc2)c1 9615500 KXSBGZFKOINTEF-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB Cc1cccc(S(=O)(=O)N2CCC[C@H](c3ccn(C)n3)C2)c1 585389551 HXUSVRYJXXBCFV-AWEZNQCLSA-N 319.430 2.297 0 40 DEAB CCSc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)s1 205012 BNSAWHKPOCOZKJ-YUMQZZPRSA-N 315.420 2.480 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)OC 6224666 MBCOXNBVPVMNRB-WFASDCNBSA-N 322.405 2.125 0 40 DEAB biogenic CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(C)cc1 20057449 OVSACNJGYGVYJL-TVFCKZIOSA-N 302.370 2.213 0 40 DEAB COc1ccccc1CC(=O)NCCN1C[C@H](C)C[C@@H](C)C1 40107568 MZTMEGQZFUGFMJ-HUUCEWRRSA-N 304.434 2.332 0 40 DEAB C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1 40159699 RWQYKVWVVPHNHG-NVXWUHKLSA-N 314.429 2.479 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)NCCc1ccc(OC(C)C)cc1 40514146 COKZOMAFDLSXKN-QGZVFWFLSA-N 318.417 2.143 0 40 DEAB C[C@@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 40529482 WUQLRRTXTSRVSC-SECBINFHSA-N 318.308 2.008 0 40 DEAB C[C@@H]1CN(C(=O)CCCc2nc(C(C)(C)C)no2)C[C@@H](C)O1 40516058 XVRBHELWGUGLPJ-VXGBXAGGSA-N 309.410 2.326 0 40 DEAB C[C@H](NC(N)=O)C(=O)Nc1ccc(Oc2ccc(F)cc2)nc1 40529480 WUQLRRTXTSRVSC-VIFPVBQESA-N 318.308 2.008 0 40 DEAB CCC1(CC)NC(=O)N(C[C@H](O)c2cc(F)ccc2F)C1=O 51257866 GPCNDMFPTFLTKW-LBPRGKRZSA-N 312.316 2.109 0 40 DEAB Cc1ccc(S(=O)(=O)NCC2(CO)CCCCC2)s1 40635912 WIIHLSNZGMHTQN-UHFFFAOYSA-N 303.449 2.278 0 40 DEAB CC(C)CC(=O)Nc1ccc(N2CCOCC2)c2nonc12 204360 JQFSYIISXSIIJH-UHFFFAOYSA-N 304.350 2.044 0 40 DEAB C[C@]1(C(=O)NCc2cccs2)Oc2ccccc2NC1=O 40776415 UDUSGTUPQFNJEW-OAHLLOKOSA-N 302.355 2.154 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cc(C(C)C)on1 101871425 RZYXFWQNQIXQIE-NUZBWSBOSA-N 306.362 2.116 0 40 DEAB CNC(=O)NC(=O)CCN(Cc1ccccc1)CC1CCC1 60041733 RLNKNWGUBABEIG-UHFFFAOYSA-N 303.406 2.134 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H]2COc3ccccc3O2)cc1 174635 FFIMLJVWYJIXLB-ZDUSSCGKSA-N 319.382 2.113 0 40 DEAB CCc1ocnc1C(=O)N[C@@H](C)C1(N2CCOCC2)CCCC1 78997743 VWWBPHIUJDKTPM-ZDUSSCGKSA-N 321.421 2.000 0 40 DEAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCc1ccccn1)[C@H]2C(=O)O 6715775 NFGDPQAKJHWENP-XNISGKROSA-N 314.385 2.391 0 40 DEAB COc1cccc([C@@H](CNC(=O)Nc2cc(C)on2)N(C)C)c1 21835753 WIZZJLBQVCABHB-CQSZACIVSA-N 318.377 2.416 0 40 DEAB CCNCc1ccc(OCC(=O)NC(C)(C)C)c(OCC)c1 8227260 USFXQXHZKFJCER-UHFFFAOYSA-N 308.422 2.488 0 40 DEAB O=C1N(CN2CCCCC2)c2ccccc2C12OCCCCO2 523696 SBOHWTZQZRZKJZ-UHFFFAOYSA-N 316.401 2.456 0 40 DEAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCO1 103434740 PGNJIJMKGRDEEP-GHMZBOCLSA-N 314.332 2.336 0 40 DEAB Cc1cc([C@@](C)(O)CNC(=O)CC2(O)CCCCC2)c(C)o1 81818950 NRODIJQVYXTGBM-INIZCTEOSA-N 309.406 2.305 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1cc(-c3ccccc3)no1)CC2 69969364 MXIOUGUHNBDFMH-CQSZACIVSA-N 309.373 2.346 0 40 DEAB c1ccc(-c2noc(CN3CCC[C@@H](Cn4cncn4)C3)n2)cc1 105882536 WVWZURPWTOSSGP-CQSZACIVSA-N 324.388 2.240 0 40 DEAB C[C@@H](NC(=O)NC(C)(C)C)[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 72291718 MWYCBVUPPJICRB-OLZOCXBDSA-N 320.437 2.353 0 40 DEAB CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)O1 107207765 RZAOVLZIBZJUIY-BZUAXINKSA-N 306.381 2.036 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1=O 44371260 PPBDQJZYMDQYEI-DZGCQCFKSA-N 304.365 2.358 0 40 DEAB NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20460682 MXIJQOLNLHHKCP-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB CC[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1C[C@@H](C)O 72279762 HMLHAQFNJFKBLS-KGLIPLIRSA-N 309.454 2.249 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)no1 72294950 RBHVKGIWXKMBTA-NSHDSACASA-N 303.366 2.244 0 40 DEAB COc1cccnc1NC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 58202175 UVPIEPZMSYETLW-GFCCVEGCSA-N 319.405 2.313 0 40 DEAB CN(CCCNC(=O)c1cccc2[nH]ncc12)CC(F)(F)F 58274146 HZJGNDMFQMUEMH-UHFFFAOYSA-N 314.311 2.177 0 40 DEAB O=C(COc1ccc(F)cc1Cl)NCCCn1cccn1 28573335 KEJBXSCGJLRFIA-UHFFFAOYSA-N 311.744 2.261 0 40 DEAB Cc1c([C@@H](C)NC(=O)c2cnccn2)cnn1-c1ccccc1 58433589 IGCOLJCFPBVRGY-GFCCVEGCSA-N 307.357 2.462 0 40 DEAB CN(C)C(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3O2)cc1 12754481 GUEOJTBOQIQRQT-KRWDZBQOSA-N 324.380 2.008 0 40 DEAB CCCCn1c(CCNC(=O)CCCO)nc2ccccc21 11692523 PKXAPAVKSIFLAP-UHFFFAOYSA-N 303.406 2.268 0 40 DEAB NC(=O)COc1cccc(COC(=O)c2cc3ccccc3[nH]2)c1 62682704 YQMXFSHYGZZZBZ-UHFFFAOYSA-N 324.336 2.389 0 40 DEAB CCN(CC(=O)NCc1cccs1)C(=O)Cc1ccccc1 12987757 AENATOUCMZSRKH-UHFFFAOYSA-N 316.426 2.456 0 40 DEAB C[C@@H](C(=O)N[C@@H]1CCOC(C)(C)C1)N1Cc2ccccc2C1=O 70666668 CCDCGYXQAPENLF-GXTWGEPZSA-N 316.401 2.105 0 40 DEAB biogenic COc1ccc(C)cc1CC(=O)Nc1nc(CC(=O)O)cs1 13407127 IQCZZLYANKOBNB-UHFFFAOYSA-N 320.370 2.268 0 40 DEAB O=C1/C(=C/c2ccccc2)N=C(S)N1CCCn1ccnc1 17440258 NJHXMJNYZDCUGW-KAMYIIQDSA-N 312.398 2.442 0 40 DEAB CCc1nnc2n1CCN(C(=O)c1cc3ccc(C)cc3[nH]1)C2 69779991 FYGKQGUIPGRDIA-UHFFFAOYSA-N 309.373 2.286 0 40 DEAB O=C(NCCNc1cnccn1)c1csc2c1CCCC2 65399445 PXIVYYAVSWUNGE-UHFFFAOYSA-N 302.403 2.259 0 40 DEAB Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCO[C@@H](C)C2)no1 14139211 AOKFJVKKUHNDNC-XJKSGUPXSA-N 315.373 2.384 0 40 DEAB CCn1cc(C(=O)NCc2cc(Cl)cc3c2OCC3)cn1 97111165 IJOWOOGAHWGXFX-UHFFFAOYSA-N 305.765 2.421 0 40 DEAB CSc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4650982 SJHBBAFQUSGOOG-URBCHYCLSA-N 305.355 2.001 0 40 DEAB COc1ccc([C@@H](CC(=O)Nc2nccs2)NC(C)=O)cc1 8704496 WWBOCCMNHDOLNG-CYBMUJFWSA-N 319.386 2.358 0 40 DEAB CCC1=C(C(=O)OC)[C@@H](c2cccc(F)c2)n2ncnc2N1 6851050 FOUINFIXRLPQJT-CYBMUJFWSA-N 302.309 2.269 0 40 DEAB Cc1nn(Cc2csc([C@@H]3CCCO3)n2)c(C)c1CCO 97115013 WYLHUIMIQFWTEW-AWEZNQCLSA-N 307.419 2.391 0 40 DEAB O=C(O)c1csc(S(=O)(=O)N2CCc3ccccc32)c1 15243426 KGSZRDLOXOOXET-UHFFFAOYSA-N 309.368 2.198 0 40 DEAB CC(=O)N(CCc1ccccc1)Cc1nc([C@@H]2CCOC2)no1 90094984 UUNVHMZRAHDOEF-OAHLLOKOSA-N 315.373 2.165 0 40 DEAB COc1ccccc1NC(=O)COC(=O)c1cccc(C)c1N 7305685 FXOHDOZHYOSNNE-UHFFFAOYSA-N 314.341 2.381 0 40 DEAB CC(C)N(C(=O)[C@H](C)Sc1n[nH]c(=O)n1C1CC1)C(C)C 7776294 QOYZEYMUPMVBES-JTQLQIEISA-N 312.439 2.032 0 40 DEAB Nc1n[nH]c(=O)c2nn(-c3ccc(F)cc3)c(-c3ccccc3)c12 96305998 ZRWRHOKICDHQAO-UHFFFAOYSA-N 321.315 2.497 0 40 DEAB c1ccc(-n2nnnc2CSc2nnc(C3CC3)o2)cc1 9583352 IDTINDFRCZTRRT-UHFFFAOYSA-N 300.347 2.215 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)NC2CCCC2)c1 71803854 XXDAJCOYHOBZAD-UHFFFAOYSA-N 305.378 2.266 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@@H]2CCCC[C@@H]21 71821218 YEMDEKUBADUQMP-LSDHHAIUSA-N 312.373 2.051 0 40 DEAB COc1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1 71915810 OHRPTGJLMAAQDF-CYBMUJFWSA-N 318.398 2.268 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)N[C@@H]1CCCc2occc21 84569266 IRWCHXDHIUIGLK-CQSZACIVSA-N 323.356 2.127 0 40 DEAB CNS(=O)(=O)CCCN[C@@H](c1ccc(F)cc1)C(C)C 95350605 MZEWUAGVYMRDAY-CQSZACIVSA-N 302.415 2.052 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)CN(Cc1cccc(O)c1)C1CC1 95397358 GEUDNHXQMLVGGB-UHFFFAOYSA-N 314.389 2.335 0 40 DEAB C[C@H]1CCN(C)c2ccccc2N1C(=O)c1ccn(C)c(=O)c1 84700049 VLFKRGIVHZXKDR-ZDUSSCGKSA-N 311.385 2.261 0 40 DEAB C[C@@H](NC(=O)[C@H](Cc1ccccc1)S(C)(=O)=O)C(C)(C)C 95449669 BSFCGPLNHGSJOR-OCCSQVGLSA-N 311.447 2.193 0 40 DEAB CC[C@H](C(=O)N1CCCc2sccc2C1)N1CCCC1=O 95404255 WIGBYCNKTWJDIK-CYBMUJFWSA-N 306.431 2.424 0 40 DEAB c1ccc(CN2CCO[C@@H]3CN(C[C@@H]4CCCCO4)C[C@@H]32)cc1 95414097 NTGQMHKEXXMLGL-GBESFXJTSA-N 316.445 2.141 0 40 DEAB C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2cccnc12 95976003 PSRVBEAWUOCUNJ-JSGCOSHPSA-N 320.414 2.159 0 40 DEAB COCCCOC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 95943781 WQKDQPGRVBUDEZ-ILXRZTDVSA-N 319.405 2.194 0 40 DEAB C[C@@H](Sc1nnc(CO)n1C1CC1)C(=O)NC1CCCCC1 89448789 YXUZCVSMVFUGQK-SNVBAGLBSA-N 324.450 2.035 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@@H](C)Cc2ccco2)c(=O)[nH]1 75111186 FYVLWGPIUPOOMK-LBPRGKRZSA-N 303.362 2.015 0 40 DEAB CCN(CCO)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 86430825 XSVCNGSNWICNNZ-CYBMUJFWSA-N 316.405 2.266 0 40 DEAB Cc1nnc([C@H](C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)o1 89736246 IWICYZXNKKIDEC-LURJTMIESA-N 321.280 2.327 0 40 DEAB Cc1cc(NC(=O)NCc2ccnc(N3CCCC3)c2)n(C)n1 43434076 IFKJDQONWSFHSZ-UHFFFAOYSA-N 314.393 2.045 0 40 DEAB Cc1cnn(CC(=O)NC[C@@H](Nc2ccccc2)C(C)C)c1 77612687 DYIAEYJAIUQFGD-MRXNPFEDSA-N 300.406 2.444 0 40 DEAB O=C(/C=C/c1ccco1)NCC1CCN(c2cnccn2)CC1 70930253 IQAKYGGHQOKMRE-ONEGZZNKSA-N 312.373 2.116 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@@H]2C[C@@H]32)cc1 229891599 IWICKOBLUJZCTL-SBOZNWLOSA-N 313.353 2.403 0 40 DEAB O=C(CCCn1cncn1)Nc1cc(C(F)(F)F)ccc1O 81459084 YTFGYWHEAHESBL-UHFFFAOYSA-N 314.267 2.421 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 222991823 DKRXKFDEBZPWOV-ZIAGYGMSSA-N 303.387 2.294 0 40 DEAB Cc1cnc(NC(=O)[C@]2(C)Oc3ccccc3NC2=O)s1 41546745 YVSXCNGCFHSXJM-CQSZACIVSA-N 303.343 2.180 0 40 DEAB Cc1ccc(C)c(CS(=O)(=O)NC(=O)c2ccoc2C)c1 195580518 FSEMHYZFYAEGIT-UHFFFAOYSA-N 307.371 2.465 0 40 DEAB Cn1nnnc1S[C@@H]1CCCN(c2ccccc2Cl)C1=O 96422202 ZYFCCWKQBCYMLR-LLVKDONJSA-N 323.809 2.151 0 40 DEAB CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(CC3CCCC3)C2)C1 96205922 FJINTLMDCQNLPE-NVXWUHKLSA-N 309.454 2.071 0 40 DEAB Fc1ccc(-c2ncnc3c2CCN([C@H]2CCOC2)CC3)cc1 96255295 KJQWEEMJQNCOKH-HNNXBMFYSA-N 313.376 2.472 0 40 DEAB Cc1ccc(CN2CC[C@@]3(CC(=O)N(c4cncnc4)C3)C2)o1 96050830 FEYTYFQLCODAQO-QGZVFWFLSA-N 312.373 2.007 0 40 DEAB O=C(NCCOCc1ccccc1)Nc1nnc2ccccn12 96446211 JANWKPHQYYNHRG-UHFFFAOYSA-N 311.345 2.068 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1cc(-c2cccnc2)n[nH]1 96231013 KHUJVLLHJGREOS-UHFFFAOYSA-N 318.340 2.278 0 40 DEAB CCN(C(=O)CNc1ccc(-n2cncn2)c(Cl)c1)C1CC1 96427480 SSZMJGFOSCXNSG-UHFFFAOYSA-N 319.796 2.344 0 40 DEAB O=S(=O)(Cc1ccon1)N[C@H]1CCC[C@@H]1Oc1ccccc1 96427997 IRKSXDJUUCDHLZ-GJZGRUSLSA-N 322.386 2.094 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc(-c2cccs2)nn1C 95472238 YUTQHAKZUIMTCT-GFCCVEGCSA-N 318.446 2.363 0 40 DEAB O=C(c1cscn1)N1C[C@H]2CN(Cc3ccsc3)C[C@@H]2C1 96053930 SRXOOKFXUVUBFK-CHWSQXEVSA-N 319.455 2.409 0 40 DEAB CC(C)(O)[C@H]1CCCN1C(=O)c1ccc(-c2ncon2)cc1 95450592 CPBZHUAJAVUFKK-CYBMUJFWSA-N 301.346 2.112 0 40 DEAB c1cncc(CN2CC[C@@H]3[C@@H]2CCN3Cc2nccs2)c1 96055836 MROGATFNZWLECE-LSDHHAIUSA-N 300.431 2.387 0 40 DEAB COCCN1CCC[C@]12CCCN(C(=O)c1ccccc1)C2 96203231 HYAMIRLZIAWKOM-SFHVURJKSA-N 302.418 2.404 0 40 DEAB Cc1ccc(NC(=O)[C@H]2C[C@]23C(=O)N(C)c2ccccc23)cn1 96243423 MLUMUEIBJFTKRF-RDTXWAMCSA-N 307.353 2.263 0 40 DEAB CS[C@@H]1CCCC[C@@H]1NC(=O)CCCCCNC(C)=O 96416551 HBNAOCRYACHPLU-UONOGXRCSA-N 300.468 2.473 0 40 DEAB C[C@H](C(=O)N=c1[nH]cc[nH]1)c1ccc(C[C@@H]2CCCC2=O)cc1 95480480 NKJFRLNQHZLKBK-WFASDCNBSA-N 311.385 2.486 0 40 DEAB COCc1cnc2n1CCN(C(=O)c1cc(C)oc1C)[C@@H]2C 96109549 ILLNITRQKJGHAV-LLVKDONJSA-N 303.362 2.456 0 40 DEAB COc1ccc(CC(=O)Nc2ccc3ncn(C)c(=O)c3c2)cc1 95480653 UCDOBVIBFXTYKE-UHFFFAOYSA-N 323.352 2.123 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@H]3CCCC[C@@H]32)cc1 245227289 KBBYFBBNPXYOHV-KKUMJFAQSA-N 307.415 2.373 0 40 DEAB CCO[C@@H](C)C(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 253397581 FGYLEKJJBZTFRB-KBPBESRZSA-N 305.422 2.350 0 40 DEAB Cc1csc(C(=O)N2CCO[C@H](c3ccnc(C)n3)C2)c1 257320627 VXPNKNPNCHCYEM-ZDUSSCGKSA-N 303.387 2.369 0 40 DEAB Cc1nc(CN2CCO[C@H](CCc3ccncn3)C2)cs1 257286798 PNBNVHLRPUYODB-OAHLLOKOSA-N 304.419 2.075 0 40 DEAB NC(=O)CCOc1ccccc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 253369642 GAXXIIMQWXRKEW-CSMYWGQOSA-N 316.401 2.310 0 40 DEAB CNc1ccc(C[C@H]2CCCN(C(=O)c3cccnc3)C2)nn1 257243516 IHIRNDLYQFRFSM-CYBMUJFWSA-N 311.389 2.008 0 40 DEAB CO[C@H]1C[C@H](NC(=O)Nc2cc(-n3cccn3)ccc2C)C1 626534245 BJGLBBXCODJKCZ-MQMHXKEQSA-N 300.362 2.480 0 40 DEAB Cc1ccccc1C[C@H]1CCN(C(=O)c2cccn2C)C[C@H]1O 585279441 MGUUZMYJFAIUEJ-SJLPKXTDSA-N 312.413 2.399 0 40 DEAB NC(=O)c1cnc(NCc2ccc3c(c2)OCCO3)c(Cl)c1 48236352 YKWAUSUPADXJFS-UHFFFAOYSA-N 319.748 2.217 0 40 DEAB CCn1nc(C)cc1C(=O)N1CC[C@@H](OCc2cccnc2)C1 75105298 MZVWGTNOCKYVJS-OAHLLOKOSA-N 314.389 2.038 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 5945574 CZQDHPQTMYYWFI-QPNXVFALSA-N 317.341 2.143 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC(O)(c2ccccn2)CC1 12114339 OQRPLIJVZHXMLP-UHFFFAOYSA-N 300.333 2.345 0 40 DEAB COc1ccccc1C1(O)CCN(Cc2cnc(C)n2C)CC1 12143846 DRLQEVHBTJMSLI-UHFFFAOYSA-N 315.417 2.221 0 40 DEAB COc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 169619920 IATZVIOTMMYCPL-VXIFJJJUSA-N 324.380 2.118 0 40 DEAB Cc1cc(OCCCCOc2cc(C)oc(=O)c2)cc(=O)o1 5538992 FGTIRYKMHYPKFR-UHFFFAOYSA-N 306.314 2.448 0 40 DEAB CN(C)C(=O)Nc1cccc(OP(=O)(N(C)C)N(C)C)c1 1756471 JVLZJKRCJQHJGS-UHFFFAOYSA-N 314.326 2.390 0 40 DEAB CN(C)CCCNC(=O)CSc1nccc2ccccc12 6247431 BKGRCIZEOGZZDU-UHFFFAOYSA-N 303.431 2.395 0 40 DEAB CC(C)(C)c1cn2nc(C(=O)NCC3CCOCC3)ccc2n1 1888854315 XNUGFRDXPOXAOG-UHFFFAOYSA-N 316.405 2.183 0 40 DEAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(C)c(C)c3)C2)nn1 1888855926 WZWRWCGJUGQHMT-UHFFFAOYSA-N 310.401 2.363 0 40 DEAB Cc1cc2c(N3CC[C@@H](Oc4ccncc4C)C3)nccn2n1 1889138826 QSDJCDOYUSVSET-CQSZACIVSA-N 309.373 2.399 0 40 DEAB CCO[C@H]1COC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)C1 1614927990 JBWROMPHSKNIFR-CYBMUJFWSA-N 320.389 2.352 0 40 DEAB CN(C)c1ccc(CCNS(=O)(=O)c2cccs2)cc1 11693666 KPEQLLNYHWGXLT-UHFFFAOYSA-N 310.444 2.335 0 40 DEAB CCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@@H]1c1ccco1 15082937 PUMWZFWDFQULAS-GFCCVEGCSA-N 316.313 2.033 0 40 DEAB CCn1cc(C(=O)NCCC2=CCCCC2)c2n[nH]c(=O)c-2c1 42380707 QKQFRKPXGMKEDS-UHFFFAOYSA-N 314.389 2.316 0 40 DEAB COc1ccccc1C(=O)NC[C@H](OCCO)c1cccs1 575622549 ZVFMOZORLGDEIR-AWEZNQCLSA-N 321.398 2.237 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nnc(C)o2)c1C 10469726 DNXZYQIUPMKLPM-UHFFFAOYSA-N 323.374 2.475 0 40 DEAB CCONC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 40039111 FYLWWXVCFTXTSZ-UHFFFAOYSA-N 317.311 2.489 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@H](C)OCC(F)(F)F)cc1 31664122 FAJNPUGELQDYMB-QMMMGPOBSA-N 305.252 2.379 0 40 DEAB O=C(O)c1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1 20534069 RHNFNWGBHCMFSH-NTEUORMPSA-N 322.345 2.155 0 40 DEAB CCC(=O)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1 32073454 RHUKWXNIECNKNC-UHFFFAOYSA-N 316.430 2.239 0 40 DEAB CC(C)C(=O)N1CCN(C(=O)c2cc3ccccc3n2C)CC1 20717347 LRAPVRDURRLPTA-UHFFFAOYSA-N 313.401 2.119 0 40 DEAB CCS(=O)(=O)Nc1ccc(I)cc1 245253 BPSBEDNRJIYKAQ-UHFFFAOYSA-N 311.144 2.053 0 40 DEAB CC[C@H](C)C(=O)NCC(=O)Nc1ccnn1Cc1ccsc1 69518556 GPVFLGVAAVNCLK-NSHDSACASA-N 320.418 2.094 0 40 DEAB C[C@@H](Nc1c(NCc2ccccn2)c(=O)c1=O)c1ccccc1 102322196 SFNZWHCHWRPYHE-GFCCVEGCSA-N 307.353 2.463 0 40 DEAB C[C@H]1CN(c2ccc(NC(=O)Nc3cn[nH]c3)cc2)CCO1 76070567 XLTKQJWOCLXSMO-NSHDSACASA-N 301.350 2.279 0 40 DEAB COC(=O)c1ccc(Cn2cnc3ncnc(Cl)c32)cc1 1750474 UYXLCYCYOOYJPW-UHFFFAOYSA-N 302.721 2.315 0 40 DEAB CNC(=O)c1ccc(NC(=O)[C@H]2CCN2Cc2ccccc2)cc1 78875671 XYGTZXQCJMKWKQ-QGZVFWFLSA-N 323.396 2.259 0 40 DEAB Cn1c(=O)c(C[C@H](O)C(Cl)(Cl)Cl)nc2ccccc21 2031954 XDKFGMKADKDCBJ-JTQLQIEISA-N 321.591 2.207 0 40 DEAB NC(=O)NOCC(=O)Nc1cccc(Oc2ccccc2)c1 79065140 ZZXZYINVCHLRRD-UHFFFAOYSA-N 301.302 2.017 0 40 DEAB O=C(CNC(=O)c1ccc(F)cc1F)Nc1ccccc1F 32901466 UQOREWQOPSJNQV-UHFFFAOYSA-N 308.259 2.472 0 40 DEAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(Cl)ccc1O 102784551 BBUALNOKJNALOO-JTQLQIEISA-N 314.794 2.296 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cnn2cccnc12 47009774 WFCCIIVPPQRTED-TZMCWYRMSA-N 302.378 2.054 0 40 DEAB O=C(CNC(=O)C1CCCC1)Nc1cccc(-n2cccn2)c1 53042250 VWPAMCMPVPCJHF-UHFFFAOYSA-N 312.373 2.117 0 40 DEAB Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccccc2Cl)n1 502297 WNTKCZUPJDJMSX-UHFFFAOYSA-N 322.777 2.423 0 40 DEAB O=C(NCc1csc(Br)c1)NC[C@@H]1CCCO1 47594020 MIGZQDTWHSLXHU-VIFPVBQESA-N 319.224 2.489 0 40 DEAB Cc1ccccc1CN1CCN([C@@H](C)C(=O)NC(C)C)CC1 22778378 IXGHCLYRNGKYKB-INIZCTEOSA-N 303.450 2.026 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)N=c1[nH]c2ccccc2[nH]1 53945442 KCCAWGCEFKBRAR-UHFFFAOYSA-N 318.336 2.050 0 40 DEAB Cc1cc(N(C)C)cc(C)c1NC(=O)NCC(=O)NCC1CC1 97047324 UDQMDNPCDBLLSN-UHFFFAOYSA-N 318.421 2.017 0 40 DEAB CC(C)(CNC(=O)N1CCN2CCCC[C@@H]2C1)N1CCCCC1 105081525 XRMNWEAPYVEAOK-MRXNPFEDSA-N 322.497 2.131 0 40 DEAB Cn1c(=O)c2ccccc2n2c(COc3ccccc3F)nnc12 12555939 OLQRCCZRNJDUOL-UHFFFAOYSA-N 324.315 2.299 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)C(=O)NCc2ccccc2)s1 55343824 FRWSKIXPZPMRPF-GFCCVEGCSA-N 302.399 2.491 0 40 DEAB CC(=O)N1CCC(C(=O)NCC2(c3ccccc3)CC2)CC1 25324936 YOJSAOKZJQWMRX-UHFFFAOYSA-N 300.402 2.093 0 40 DEAB CCc1nc(CN2CCC[C@@H](NCCc3cccs3)C2)no1 69742553 CXUMRIHMFGRMRC-CYBMUJFWSA-N 320.462 2.490 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)Nc1cccc2c1ccn2C 69779705 VGZPRPLMKCQAJO-CYBMUJFWSA-N 316.405 2.021 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)C1 102760581 MUNFJFIGMLKRLX-IGQOVBAYSA-N 306.406 2.324 0 40 DEAB Cn1c(NCc2ccc3c(c2)OCO3)nc2sccc2c1=O 58165991 ZWDGPHVCFJMCDZ-UHFFFAOYSA-N 315.354 2.336 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)c2cnn(C)c2)c(OC)c1 44889104 KDBCSBTZKAHNRA-OAHLLOKOSA-N 315.373 2.415 0 40 DEAB CC(C)C(=O)Nc1ccc(CNC(=O)N[C@H](C)C(C)(C)O)cc1 58289762 IIEYCUBUIFKFIF-GFCCVEGCSA-N 321.421 2.240 0 40 DEAB CN(Cc1cccc(F)c1)C(=O)c1ccc2c(c1)OCC(=O)N2 12798182 OXZRKUCQYOHHBV-UHFFFAOYSA-N 314.316 2.429 0 40 DEAB CNC(=O)C1CCN([C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 29165488 MDAORKIRFFZCEV-CQSZACIVSA-N 317.433 2.088 0 40 DEAB CC(C)(C)c1nc(CN(CCC(N)=O)Cc2ccccc2)no1 48346028 MPNWKOUFZNHQEH-UHFFFAOYSA-N 316.405 2.245 0 40 DEAB O=C(CCC(=O)c1cccs1)Nc1nnc(C(F)(F)F)[nH]1 29388629 RFPIUUOCVAPDCH-UHFFFAOYSA-N 318.280 2.487 0 40 DEAB CC[C@@H]1CN([C@@H](C)c2nc(C3CC3)no2)CCN1CCOC 69842254 USWGLHGSCKDTSJ-GXTWGEPZSA-N 308.426 2.051 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@@H](C(=O)O)C1 13260741 NWFTZGPVVLJGDE-IZPAUZPXSA-N 303.358 2.340 0 40 DEAB COc1ccc(NC(=O)c2cn3c(=O)ccnc3s2)cc1 6490672 ZNZBMRPJQYXQNX-UHFFFAOYSA-N 301.327 2.017 0 40 DEAB Cc1cc(C(=O)Cn2nnn(-c3cccs3)c2=O)c(C)s1 14139292 JNANSWNJUNWGAV-UHFFFAOYSA-N 320.399 2.052 0 40 DEAB Cc1cc(C)n2nc(SCC(=O)N3CCC[C@H](C)C3)nc2n1 4523895 CSCSSZYPRLISEK-JTQLQIEISA-N 319.434 2.092 0 40 DEAB O=C(CS(=O)(=O)C1CCCC1)N[C@H]1C[C@@H]1c1ccccc1 67515936 MWFUTNNWPNZZHA-CABCVRRESA-N 307.415 2.016 0 40 DEAB CNC(=O)c1cccc(NC(=O)COc2ccccc2OC)c1 9114579 PXNRBMYQKNOEQB-UHFFFAOYSA-N 314.341 2.072 0 40 DEAB COC(=O)C1(CNC(=O)Cc2c(C)noc2C)CCCCC1 96010251 SUMSPEBRWYWNBF-UHFFFAOYSA-N 308.378 2.074 0 40 DEAB COc1ccc(CCNCc2ccc(OCC(=O)O)cc2)cc1 72238797 HNFLYORAQVXWEF-UHFFFAOYSA-N 315.369 2.491 0 40 DEAB O=C([C@H]1CCCOC1)N1CCN(c2cc(F)ccc2F)CC1 96456102 WZPBRJMMONNOFV-LBPRGKRZSA-N 310.344 2.040 0 40 DEAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCOc2ccccc21 71825179 DENQYOUTVNVKRN-MRXNPFEDSA-N 301.390 2.106 0 40 DEAB CC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 96502586 SEDXCQMEEPXURY-ZFWWWQNUSA-N 316.405 2.019 0 40 DEAB CC[C@@H](C)[C@H](CO)NC(=O)Nc1cccc(OCCOC)c1 71921466 MBPGQCHIRWXLLT-DOMZBBRYSA-N 310.394 2.240 0 40 DEAB C[C@@H]1c2ccsc2CCN1c1ncnc2c1cnn2CCO 97200165 UHOPNYPSDLNLCY-SNVBAGLBSA-N 315.402 2.004 0 40 DEAB NC(=O)[C@@H]1CCCN1C(=O)c1ccc(CCC(F)(F)F)cc1 95433640 HCJAQCGMFUSFOQ-LBPRGKRZSA-N 314.307 2.271 0 40 DEAB COc1ccc(CNC(=O)N2CCOC[C@H]2C2CC2)c(C)c1 95976577 LVPQHQKIRCTBST-INIZCTEOSA-N 304.390 2.324 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 74447989 QXHYOASYVCNHHL-MRXNPFEDSA-N 312.417 2.455 0 40 DEAB COC(=O)c1ccc([C@@H](C)N2CCC(Cn3ccnn3)CC2)o1 89264153 HBJQYRPJIMGOEY-GFCCVEGCSA-N 318.377 2.131 0 40 DEAB COc1cc(C)sc1C(=O)NC[C@]1(N(C)C)CCSC1 75093074 SIYWSEBBIKNOLG-CQSZACIVSA-N 314.476 2.232 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(-c2ncon2)cc1 89510668 HEKBLPMOQWBGCA-CVEARBPZSA-N 321.336 2.125 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1ccc2[nH]nnc2c1 89505758 LHYSNJNSGGSPHN-VIFPVBQESA-N 312.377 2.126 0 40 DEAB O=C(NC[C@H]1CCCOC1)c1ccc(-c2cccs2)[nH]c1=O 75126119 ZRBRMDPRBCLPMA-LLVKDONJSA-N 318.398 2.260 0 40 DEAB COc1ccc(C)nc1NS(=O)(=O)Cc1cccc(F)c1 89626880 SIVALXWLJILOIW-UHFFFAOYSA-N 310.350 2.480 0 40 DEAB O=C(Nc1cccnc1)N1CCC([C@H](O)C(F)(F)F)CC1 89794063 KADKVZJMOUARAY-NSHDSACASA-N 303.284 2.249 0 40 DEAB O=C(OC[C@H]1CC(=O)N(CCc2ccccc2)C1)c1cccnc1 89832347 DZXSHJBFKMWPFR-INIZCTEOSA-N 324.380 2.330 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)c2ccc3nncn3c2)C12CCCC2 89986120 VCFUOLBSJYEOCF-KBPBESRZSA-N 314.389 2.197 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@H]2[C@H](C1=O)c1cccc(O)c1N2C 21981301 HTFQMVKUVPTRGT-DUVNUKRYSA-N 311.385 2.478 0 40 DEAB COc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 409034588 OGXSOXWFLJAHKU-XFFZJAGNSA-N 306.387 2.042 0 40 DEAB Cc1ccc(S(=O)(=O)Oc2cc(N)c3c(n2)CCC3)cc1 22910859 WEDJTHOBXWJYEJ-UHFFFAOYSA-N 304.371 2.229 0 40 DEAB in-vitro Cc1cc(NC(=O)CCc2cccc(C3CCNCC3)n2)[nH]n1 72366884 IPDSXSLZEPKRMN-UHFFFAOYSA-N 313.405 2.151 0 40 DEAB CCC[C@@H]1C[C@H](C(=O)NCc2nccn2C(F)F)CCO1 183500718 BMARQTRGCYIHSP-GHMZBOCLSA-N 301.337 2.490 0 40 DEAB Cc1csc(Nc2nccnc2[C@@H]2CCCN(CCO)C2)n1 72363463 CVCDUTLEYIPLOK-GFCCVEGCSA-N 319.434 2.157 0 40 DEAB C/C=C/C=C/C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1 32769413 YYWKQUWNGNDIPS-MQQKCMAXSA-N 302.349 2.242 0 40 DEAB CNC(=O)[C@@H](C)n1nc(C(F)(F)F)c(Br)c1C 32611368 BYJSJTISYZABDT-RXMQYKEDSA-N 314.105 2.280 0 40 DEAB NC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 72221289 NZYUBEFNDKTFQI-UHFFFAOYSA-N 304.781 2.293 0 40 DEAB CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 33088920 KCQDGVASVWMSMP-LBPRGKRZSA-N 314.385 2.275 0 40 DEAB CC(C)c1n[nH]c(=S)n1CCNC(=O)CCc1ccccn1 75400905 YWEHKTQZPLZEME-UHFFFAOYSA-N 319.434 2.208 0 40 DEAB Cc1cc(-c2cnc(N3CCC[C@H](O)C3)nc2C2CC2)on1 72340346 STIZZHRZWRZMRT-LBPRGKRZSA-N 300.362 2.279 0 40 DEAB c1cn(-c2nccnc2[C@H]2CCCN(C3CCOCC3)C2)cn1 72350681 YQPVETOZJFUQBO-AWEZNQCLSA-N 313.405 2.021 0 40 DEAB NC(=O)c1ccc(O[C@@H]2CCCN(Cc3ccccc3)C2=O)cc1 89722091 JZAMCPVOXSAZRO-QGZVFWFLSA-N 324.380 2.356 0 40 DEAB COC(=O)c1cc(CNc2nnc(C(F)(F)F)s2)c[nH]1 195562422 AOFJVPSTBFQZCM-UHFFFAOYSA-N 306.269 2.284 0 40 DEAB CCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NC(C)C 225665451 YUVBRMMYZIVFEC-ZDUSSCGKSA-N 306.406 2.347 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CCc2[nH]cnc2C1 225509806 JFKXYVBMAQXBHJ-LBPRGKRZSA-N 308.385 2.355 0 40 DEAB Cc1ccc(N(C(C)C)S(=O)(=O)[C@H](C)C(=O)N(C)C)cc1 193911533 VDQFVZHSYBYXRK-CYBMUJFWSA-N 312.435 2.016 0 40 DEAB N#[N+]Nc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cn1 95479527 AHQQBTNOOXDUBG-AWEZNQCLSA-O 310.337 2.475 0 40 DEAB Cc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3COCCN(C)C)o1 96055205 AUVLPZCVMAQXIR-BPQIPLTHSA-N 322.449 2.146 0 40 DEAB Cc1ccc(NC(=O)NC[C@@H]2CCCN(CCC(=O)O)C2)cc1 237626130 ACQLXFKNJCXZMU-AWEZNQCLSA-N 319.405 2.303 0 40 DEAB Cc1cccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)n1 96053619 ZYGIKHFEYKMAEW-GOEBONIOSA-N 321.380 2.125 0 40 DEAB CCOC(=O)c1cc(C)n(Cc2nc([C@H]3CCOC3)no2)c1C 95411053 QSMCVGKJTZYBIG-LBPRGKRZSA-N 319.361 2.217 0 40 DEAB Cn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@@H]1CCCCO1 96451863 IZPJSEYGCVKGEV-AWEZNQCLSA-N 320.414 2.430 0 40 DEAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@H]1CCC[C@H]1CO 96434708 RUMQNVMFIWRJEB-AAEUAGOBSA-N 318.352 2.294 0 40 DEAB O=C(CCc1ccccc1)NC1CCC2(CCC(=O)N2)CC1 96228522 MEPKQMPPAMFPNT-UHFFFAOYSA-N 300.402 2.327 0 40 DEAB CC(C)c1cc(C(=O)NC[C@H]2CCCO2)nc(N2CCCC2)n1 96192003 NQZCEPYLDPKLGD-CYBMUJFWSA-N 318.421 2.109 0 40 DEAB CCC1(CC)[C@H](NC(=O)[C@@H]2CCn3ccnc3C2)[C@H](C)[C@H]1OC 245289662 DHLWLMDFOXSILW-SJXGUFTOSA-N 319.449 2.401 0 40 DEAB CC(=O)N1CC[C@H](Cc2nccnc2-c2scnc2C)C1 257222606 DTZPLYRXTLWILO-GFCCVEGCSA-N 302.403 2.319 0 40 DEAB Cc1ncc(C(=O)N2CC[C@@H](Cc3nccs3)C2)c(C)n1 257259663 KZKUBIVREYMWGG-LBPRGKRZSA-N 302.403 2.255 0 40 DEAB CCCn1ccc(C(=O)N2CCC[C@@H]2c2cncc(NC)n2)n1 257293938 QRTPWBZDVHFEFX-CQSZACIVSA-N 314.393 2.102 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)n1 257257773 KQZSWQBZFQYMPO-OAHLLOKOSA-N 315.421 2.030 0 40 DEAB CCCc1nnsc1C(=O)N(CCOC)Cc1ccoc1 85474275 SYENGKLDEGDLIY-UHFFFAOYSA-N 309.391 2.372 0 40 DEAB Cc1noc(CCCNC(=O)N2CCc3c(F)cccc32)n1 274103567 KIXBSLXNGLENMI-UHFFFAOYSA-N 304.325 2.222 0 40 DEAB O=C(c1cccc2cnccc12)N1CCC(F)(F)[C@@H](CO)C1 291340078 VDCRWZFYLKONKC-GFCCVEGCSA-N 306.312 2.325 0 40 DEAB Cc1cccc(NC(=O)C(=O)NCC[C@H](O)c2ccoc2)c1C 96097333 ZEULAHDCVXGBGC-HNNXBMFYSA-N 316.357 2.075 0 40 DEAB Cc1csc([C@@H]2CN(C(=O)NCCc3ccco3)CCO2)n1 669849599 CEGIJBMLPRMROA-ZDUSSCGKSA-N 321.402 2.370 0 40 DEAB CCN1CCN(c2ccc(CNC(=O)C3CCCC3)cn2)CC1 57675733 RARTYICZXIZDCX-UHFFFAOYSA-N 316.449 2.030 0 40 DEAB O=C(O)[C@H](CCc1ccccc1)N1C(=O)c2ccccc2C1=O 2045041 WHOUFHZODDPMPG-HNNXBMFYSA-N 309.321 2.369 0 40 DEAB in-vitro CN(Cc1ccccc1Cl)C(=O)CNC(=O)c1ccco1 5173214 SHMDKHXZPWTJGV-UHFFFAOYSA-N 306.749 2.321 0 40 DEAB CN(C)c1ncc(C(=O)NCCCc2ccc(F)cc2)cn1 12193524 ASXGEISSMBPKHN-UHFFFAOYSA-N 302.353 2.044 0 40 DEAB CN(Cc1ccccc1N1CCCCC1)c1ccc2nnnn2n1 12642560 RQQZXWBLCGKLCJ-UHFFFAOYSA-N 323.404 2.146 0 40 DEAB Cc1c(C(=O)N(C)CC(F)(F)F)nnn1-c1ccc(F)cc1 19557717 UXXHQIYRAMGDRC-UHFFFAOYSA-N 316.258 2.349 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@H](O)c2ccccc2)cc1 6923539 CRZOLKWUJOHXED-BBRMVZONSA-N 305.399 2.395 0 40 DEAB O=C(c1cccnc1O[C@H]1CCOC1)N1CCC(F)(F)CC1 253398940 HVTMHZQKFLYOMS-NSHDSACASA-N 312.316 2.121 0 40 DEAB NC(=O)[C@@H](NC(=O)c1ccc(-n2cccc2)cc1)c1ccccc1 10268083 XIKOJQLWKRYGQW-KRWDZBQOSA-N 319.364 2.434 0 40 DEAB O=C(N[C@@H]1CCCN(c2ccc(Br)cn2)C1)C1CC1 1888849369 CJGIWZGHLNRKPK-GFCCVEGCSA-N 324.222 2.339 0 40 DEAB Cc1cccc(OC[C@H]2CCCN(Cc3noc(C)n3)C2)n1 1849307407 VORYXIHLKWWWFG-AWEZNQCLSA-N 302.378 2.372 0 40 DEAB COc1ncnc2c1CCN(C(=O)/C=C/c1cccs1)CC2 1565542805 UPLUVPRHOBLWTM-SNAWJCMRSA-N 315.398 2.187 0 40 DEAB CCOC(=O)[C@@](NC(C)=O)(Nc1ccccc1)C(F)(F)F 3137997 ZURYAGZNOOGKKS-GFCCVEGCSA-N 304.268 2.056 0 40 DEAB CNC(=O)c1ccsc1NC(=O)c1ccc(OC)c(OC)c1 4275808 MTCRTBPQZORIOJ-UHFFFAOYSA-N 320.370 2.377 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCc1ccccc1 10256290 YZECULCNXLYERI-INIZCTEOSA-N 309.369 2.074 0 40 DEAB CCCCN[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258735 MCKFEUVBTATTQV-LBPRGKRZSA-N 300.305 2.136 0 40 DEAB CCCc1cc(=O)n2nc(NCc3ccc(F)cc3)nc2[nH]1 101282278 UJIVMXHLJPBFME-UHFFFAOYSA-N 301.325 2.121 0 40 DEAB O=C(O)CCn1c(S)nc2c(-c3ccccc3)c[nH]c2c1=O 100071633 QAPJJEUQYDOGPL-UHFFFAOYSA-N 315.354 2.155 0 40 DEAB CCOc1cccc(N2C(=O)C[C@H](NCc3ccco3)C2=O)c1 20149889 BRRQTHJHPNJNKE-HNNXBMFYSA-N 314.341 2.100 0 40 DEAB CN(C)c1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)ccn1 40535503 GYGTYGZGQFYMJC-CQSZACIVSA-N 318.446 2.242 0 40 DEAB O=C(CNC(=O)c1ccco1)NC1(c2ccc(F)cc2)CCC1 51419345 NYXGJFJVKWSTEF-UHFFFAOYSA-N 316.332 2.344 0 40 DEAB O=C1[C@H]2N=NN(c3cccc(F)c3)[C@@H]2C(=O)N1c1ccccc1 101277646 YPESBVNUZLGZEQ-KBPBESRZSA-N 310.288 2.324 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(F)F 123229 YZBMVRDDQRKSKO-NSHDSACASA-N 312.272 2.089 0 40 DEAB CC(C)n1c(CCNC(=O)c2ccccc2O)n[nH]c1=S 78542874 CTKDIKJEKDEPEN-UHFFFAOYSA-N 306.391 2.200 0 40 DEAB Cn1cc(CCCN2CCC[C@H](c3noc(C4CC4)n3)C2)cn1 78890807 SRUXDXKEIVOBHU-HNNXBMFYSA-N 315.421 2.493 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)CCCO 79095171 QVLHVOKMFRXJSI-LBPRGKRZSA-N 302.374 2.470 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 79094648 OVEWDXFUFSOJGH-VIFPVBQESA-N 323.336 2.258 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1 4824509 KUFUMFBMXXSDAQ-RYUDHWBXSA-N 315.373 2.224 0 40 DEAB COc1ccc(OC)c(N2C(=O)c3ccccc3S2(=O)=O)c1 6441362 USPKRVNJDGZRBQ-UHFFFAOYSA-N 319.338 2.053 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1ccccc1Cl 6931141 AXPXUIVYDBFNCB-ZAZJYDDPSA-N 307.733 2.323 0 40 DEAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@H]1CCOC1 47067673 WVYITGZWVWFBNL-GFCCVEGCSA-N 301.346 2.177 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N[C@H]21 525646 ABHXTCWVNDYPBR-HNNXBMFYSA-N 310.309 2.106 0 40 DEAB biogenic CCOC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)o1 3195332 PREFDDMVMMATDE-UHFFFAOYSA-N 321.173 2.351 0 40 DEAB Cc1ccccc1CCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 42381596 ZRESHUWTRYADLX-KRWDZBQOSA-N 314.429 2.302 0 40 DEAB O=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@H]1C2 100621556 QQLOJIMQTXJLTF-FWXGHANASA-N 304.434 2.091 0 40 DEAB NCCN1C(=O)S/C(=C\c2ccc(OC(F)F)cc2)C1=O 3261588 HOCCGSMGONITOP-YFHOEESVSA-N 314.313 2.283 0 40 DEAB CNC(=O)CN(C)C(=O)c1cc2c(s1)-c1ccccc1CC2 24714659 DLAAGMCGDAGOGR-UHFFFAOYSA-N 314.410 2.332 0 40 DEAB CCCOc1ccc(NC(=O)NCCNC(C)=O)cc1Cl 48123379 JKMIMFPUSOIFDU-UHFFFAOYSA-N 313.785 2.386 0 40 DEAB Cn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2O)ccc1=O 57160221 ZFXPASTYEDNILA-UHFFFAOYSA-N 301.346 2.036 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H]1CCN(C2CC2)C1 57554012 ANCHADHPKUGSIH-GFCCVEGCSA-N 311.385 2.012 0 40 DEAB O=C(Nc1ccncc1)[C@@H]1CCCN1C(=O)c1cccs1 108489729 WPWLBJJYPJFWDB-LBPRGKRZSA-N 301.371 2.386 0 40 DEAB CN(C)C(=O)CSc1nnc2c(Cl)cc(Cl)cn12 3308832 OCZCAHZEDHXOJF-UHFFFAOYSA-N 305.190 2.216 0 40 DEAB CC[C@H](Nc1ccc(CS(=O)(=O)C(C)(C)C)cc1)C(N)=O 72281420 LWGFAAWJDKQGGR-ZDUSSCGKSA-N 312.435 2.076 0 40 DEAB C[C@@H]1COCCN1C(=O)NCc1ccc(OC2CCCC2)nc1 44968765 QCPNGPZAXCKWJH-CYBMUJFWSA-N 319.405 2.333 0 40 DEAB O=C(NCc1ccc(-n2cccn2)cc1)N1CCSCC1 44970521 LRPOBCVRGVPFPA-UHFFFAOYSA-N 302.403 2.131 0 40 DEAB O=C(Nc1cccc(N2CCNC2=O)c1)c1cccc2[nH]ncc12 58313597 HQUSBFOTENAKFU-UHFFFAOYSA-N 321.340 2.345 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNC[C@H](c1cccs1)N(C)C)CN2 58428889 KAVBEXNQIITJIV-UONOGXRCSA-N 319.478 2.187 0 40 DEAB CCc1noc(CN2CCC(NC(=O)c3ccccc3)CC2)n1 28109762 NSSDVFDPWVPCDM-UHFFFAOYSA-N 314.389 2.026 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)OC 2439729 CNWMWEBFBACSHP-RISCZKNCSA-N 308.378 2.082 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)N(CC(N)=O)c2ccccc2)cc1 12807971 QMMXGSNEPLLUAS-CQSZACIVSA-N 312.369 2.281 0 40 DEAB C[C@@H](CNc1ccc(-c2nccn2C)nn1)Oc1cccnc1 67446981 YEDZMDRTGZDPTF-LBPRGKRZSA-N 310.361 2.152 0 40 DEAB Cc1cc(NC(=O)N2CCOCC2)ccc1N1CCSCC1 69580863 CSPUGDUJECCVFX-UHFFFAOYSA-N 321.446 2.412 0 40 DEAB CO[C@H](C(=O)NCCC(=O)N1CCCC[C@H]1C)c1ccccc1 69532818 WSFPQWBMZCVAMH-PBHICJAKSA-N 318.417 2.281 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N1CCN(Cc2ccsc2)CC1 42000631 QXAGEYHJICGJHP-UHFFFAOYSA-N 318.446 2.056 0 40 DEAB NC(=S)NNc1nc2cc(Br)ccc2s1 22125018 IPLCDPINQPFUTC-UHFFFAOYSA-N 303.210 2.219 0 40 DEAB COc1cccc(CNc2nc3nc(C)c(Cl)c(O)n3n2)c1 13655865 GSCLCSPSAQEKKS-UHFFFAOYSA-N 319.752 2.412 0 40 DEAB COC(=O)N1CCCN(C(=O)Nc2ccc(OC)c(C)c2)CC1 69770470 RIQMVXCQFNVEJI-UHFFFAOYSA-N 321.377 2.310 0 40 DEAB Cc1ccnc(-n2c(C)c(C)c3c(=N)n(CCCO)cnc32)c1 13726866 TUGXORCHZJTDTN-UHFFFAOYSA-N 311.389 2.009 0 40 DEAB COC(=O)[C@@H](C)NC(=O)N1CCC(Cc2ccccc2)CC1 6267209 WMEBWYOBBOVLLC-CYBMUJFWSA-N 304.390 2.212 0 40 DEAB CCn1c(CSc2nc(N)cc(N)n2)nc2cc(F)ccc21 65535616 YJDBCFLNDMSCCJ-UHFFFAOYSA-N 318.381 2.442 0 40 DEAB COC(=O)C[C@H](C)NC(=O)CCCOc1cccc(C(C)=O)c1 69876493 IURPHRNZOWDMGN-LBPRGKRZSA-N 321.373 2.116 0 40 DEAB Cc1cccc(Nc2nc(C(=O)NCCN(C)C)cs2)c1 4687907 KHWAWCWINQPULS-UHFFFAOYSA-N 304.419 2.487 0 40 DEAB Nc1cc2c(cc1C(O)(C(F)(F)F)C(F)(F)F)OCCO2 5571587 BVLVXRQDTQNZAE-UHFFFAOYSA-N 317.185 2.352 0 40 DEAB CCOC(=O)[C@@H](C[C@H]1CC(c2ccc(OC)cc2)=NO1)C(C)=O 6658055 XOIIZUSFRFCVKQ-GJZGRUSLSA-N 319.357 2.347 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)n1 72298873 DCBMPNPYIIINLQ-KGLIPLIRSA-N 324.446 2.353 0 40 DEAB C[C@H](C(N)=O)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851303 ILOVBBJHOQBZRH-PELKAZGASA-N 303.189 2.241 0 40 DEAB COC(=O)c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1 5894181 QSMGBQNWQGFRSE-UHFFFAOYSA-N 312.350 2.461 0 40 DEAB CCc1nnc2n1CCN(C(=O)c1sccc1C1CC1)C2 71185949 XXPOYAFSDIDNAA-UHFFFAOYSA-N 302.403 2.435 0 40 DEAB O=C(Nc1cccc(I)c1)[C@H]1CCCO1 7264801 GLOVCNFMIXBEOG-SNVBAGLBSA-N 317.126 2.409 0 40 DEAB CCCc1cc(C(=O)N2CCO[C@@H](CC(=O)O)C2)sc1C 91292741 CWLXQPLNCVBYIE-LBPRGKRZSA-N 311.403 2.325 0 40 DEAB CC[C@](C)(NC(=O)c1cc(-c2ccccc2)on1)C(=O)OC 69384307 BLLUTFHSKMVDAB-INIZCTEOSA-N 302.330 2.413 0 40 DEAB CS[C@@H](C)C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1=O 72286474 ATZYLYGIKONNSA-GXFFZTMASA-N 310.394 2.189 0 40 DEAB Cc1nccc(CNC(=O)NC[C@H]2C[C@]23CCc2ccccc23)n1 84290746 OOLNXYWMSKBLRP-DNVCBOLYSA-N 322.412 2.488 0 40 DEAB CCCn1nnnc1CN1CCC[C@@H](COc2ccccc2)C1 96411350 KXTOBLZCBNGFCM-OAHLLOKOSA-N 315.421 2.374 0 40 DEAB CCS(=O)(=O)c1cc(F)ccc1NC(=O)N[C@H]1C[C@@H]1C 97136156 WDSDTIQRTQTWCC-KWQFWETISA-N 300.355 2.149 0 40 DEAB CCCN1CCCN(C(=O)COc2ccc(F)cc2F)CC1 71850307 TZJPBBWLWPWIAV-UHFFFAOYSA-N 312.360 2.288 0 40 DEAB C[C@H](CNCc1cn(C)nc1-c1ccncc1)Cn1cccn1 97159972 IRGXBVHNXNXDJG-CQSZACIVSA-N 310.405 2.105 0 40 DEAB CN(CCN1CCCC1)C(=O)C[C@@H]1CCOc2ccccc21 71910553 UMLYLUHIEFONSF-HNNXBMFYSA-N 302.418 2.497 0 40 DEAB CC(C)[C@@H](NCC(F)(F)F)C(=O)Nn1cnc2ccccc21 71922164 ILSTXEMAAPKZRS-GFCCVEGCSA-N 314.311 2.283 0 40 DEAB C[C@H]1CN(C(=O)c2sccc2C2CC2)C[C@H]1N1CCOCC1 72300450 HPHMEHIGMKPDFR-SWLSCSKDSA-N 320.458 2.418 0 40 DEAB Cc1cccc(NC[C@@H]2CCN(Cc3cccc(C(N)=O)c3)C2)n1 97200939 PYQBTUCDWHVHQH-INIZCTEOSA-N 324.428 2.423 0 40 DEAB Cc1cccc(NC(=O)Cn2cc(-c3ccccc3)ncc2=O)n1 72404733 ALKDNTDONPLSKS-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)c1cccc2cn[nH]c12 97379520 DRWDMWZOEGHGAJ-HNNXBMFYSA-N 310.357 2.115 0 40 DEAB Cc1cc(NC(=O)[C@@H](NC[C@@H]2CCCO2)c2ccccc2)no1 97495050 IOVFYOGHQZNLPJ-HOCLYGCPSA-N 315.373 2.431 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)s1 95394374 ZIRAZTYBMIBLGV-UHFFFAOYSA-N 312.372 2.039 0 40 DEAB COC(=O)[C@]1(F)CCN(C(=O)NC[C@@H](C)c2cccs2)C1 84638347 KAMUGIUXKBFRAI-YGRLFVJLSA-N 314.382 2.148 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(F)cc1 95458952 KOJINEUSVNZKRS-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB CC(C)(CNC(=O)[C@H]1CCC(=O)N1)c1c(F)cccc1Cl 95403640 NSNQDGFSKCUPPX-LLVKDONJSA-N 312.772 2.152 0 40 DEAB O=C(CC[C@H]1CCCCO1)NC1(C(=O)NCC2CC2)CCCC1 95408038 YSKBECQKHIWVJK-OAHLLOKOSA-N 322.449 2.291 0 40 DEAB CCc1onc(C)c1NC(=O)NCc1cccc(N(C)C)n1 95981919 DPFHHJSJOCUBKO-UHFFFAOYSA-N 303.366 2.328 0 40 DEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C(=O)O 95969879 QIBSCBHHGBNZGW-HPEDKQMDSA-N 305.374 2.414 0 40 DEAB CN(C)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 89314040 RXCTYZKFXNSTRR-BZUAXINKSA-N 305.397 2.417 0 40 DEAB O=C(NCc1nc(C2CC2)no1)c1ccccc1-c1cncnc1 75145843 NZDDUNNAPRJRIC-UHFFFAOYSA-N 321.340 2.334 0 40 DEAB C[C@@H]1SCCN(C(=O)c2c[nH]c3ccccc3c2=O)[C@@H]1C 89920042 RAYWHCKKTNGRAS-MNOVXSKESA-N 302.399 2.494 0 40 DEAB CC(C)c1noc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)n1 42619366 LSIDGJXDAKSZDC-AWEZNQCLSA-N 320.374 2.222 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)N1CCC(CC(N)=O)CC1 42929195 JBLXZDAUSJLNKQ-CQSZACIVSA-N 317.433 2.305 0 40 DEAB COc1cc(OC)c([C@@H](CN)N2CCC(C)CC2)c(OC)c1 62712598 UPDWQVLWJNOHCZ-CQSZACIVSA-N 308.422 2.444 0 40 DEAB COc1cc(OC)c([C@H](CN)N2CCC(C)CC2)c(OC)c1 62712595 UPDWQVLWJNOHCZ-AWEZNQCLSA-N 308.422 2.444 0 40 DEAB COC(=O)c1cn(Nc2ccc(F)cc2F)cc2c(O)nnc1-2 524735200 FRFFXEQBFABTBQ-UHFFFAOYSA-N 320.255 2.029 0 40 DEAB CC(=O)c1c(F)cccc1NCC(=O)N(C)CC(F)(F)F 78340071 GMZPMZRKGPOARP-UHFFFAOYSA-N 306.259 2.461 0 40 DEAB C[C@H]1Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2NC1=O 71538856 CZIDSHLIBGHCJH-SNVBAGLBSA-N 318.354 2.207 0 40 DEAB C[C@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2cccc(Cl)c2O1 189844566 LXGAWLBNIMBKIK-JTQLQIEISA-N 318.760 2.466 0 40 DEAB Cc1cccc(C2=NO[C@H]3CN(Cc4cnc(C)nc4)C[C@@H]23)c1 72343236 GFCHDOVTJUTZFO-SJORKVTESA-N 308.385 2.328 0 40 DEAB CC(=O)Nc1cccc(CNS(=O)(=O)c2cccs2)c1 32468591 YJNCZGBBKUKJNE-UHFFFAOYSA-N 310.400 2.185 0 40 DEAB Cc1ccccc1Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2 32070489 HCSKZFYRNBXPAP-UHFFFAOYSA-N 320.352 2.390 0 40 DEAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc2c(c1)OCO2 72227969 NMGLGAHYUFVYGD-CABCVRRESA-N 316.744 2.484 0 40 DEAB N#Cc1cccnc1NCCNC(=O)c1cccc2ncccc12 77195452 WPLPVCCUKXUMIO-UHFFFAOYSA-N 317.352 2.343 0 40 DEAB Ic1ccc(O[C@H]2CCCNC2)cc1 42782838 SWTJQNRHOSKLFS-NSHDSACASA-N 303.143 2.422 0 40 DEAB CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225708243 GJHPQDASKDBTFX-UHFFFAOYSA-N 314.432 2.332 0 40 DEAB COCCNC(=S)Nc1ccc(N2C[C@@H](C)C[C@@H](C)C2)nc1 223885991 GOHDJOVAZYTDRG-BETUJISGSA-N 322.478 2.497 0 40 DEAB CCCCc1ccc(C[C@@H](C(=O)O)N2CCN(C)CC2)cc1 225150071 SNBTZPSIOONAJY-KRWDZBQOSA-N 304.434 2.272 0 40 DEAB C[C@H](OC(=O)c1cc(N2CCNC2=O)ccc1F)C(F)(F)F 96443064 VXODCNDCQDPUAK-ZETCQYMHSA-N 320.242 2.463 0 40 DEAB O=C(N[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1nccn2ccnc12 96436539 COTXWMIRBWXTLX-DGCLKSJQSA-N 314.295 2.293 0 40 DEAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1cccs1 96060544 PDHVXCKWFPEZHL-OAHLLOKOSA-N 318.446 2.495 0 40 DEAB COC(=O)c1sc(N2CCN(c3nccs3)CC2)nc1C 93954853 YTUSHRHCCOFLMJ-UHFFFAOYSA-N 324.431 2.021 0 40 DEAB Cn1nc(-c2cccnc2)c2c1CN(C[C@H]1CCOC1)CCC2 96254440 DJPCHVKRWMZEJC-CQSZACIVSA-N 312.417 2.267 0 40 DEAB COCC[C@H]1CCOC12CCN(C(=O)c1ccc(C)cn1)CC2 247939282 UBVVLVCHUYHPBC-HNNXBMFYSA-N 318.417 2.438 0 40 DEAB Cc1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)c(O)n1 257251299 JQDSYAGLWYCDPS-INIZCTEOSA-N 311.385 2.225 0 40 DEAB Oc1cc(CC[C@@H]2CN(Cc3ccsc3)CCO2)ncn1 257201896 AJNVWBKFGZOXGF-CQSZACIVSA-N 305.403 2.077 0 40 DEAB c1ccc(CN2CCC3(CC2)C[C@H](Cc2cnccn2)CO3)nc1 257209012 BOPUMAFQTUGDBM-INIZCTEOSA-N 324.428 2.485 0 40 DEAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@@H]1c1cnccn1 257284570 PDFHFHGPESTKIA-MRXNPFEDSA-N 320.356 2.239 0 40 DEAB CC(C)CN1CCO[C@@H](c2cncc(Nc3ncccn3)n2)C1 257240583 HUEQQYDYTXOZHZ-CQSZACIVSA-N 314.393 2.040 0 40 DEAB Cc1cc(CC[C@@H]2CN(C(=O)c3cccs3)CCO2)ncn1 257317651 VKPZVILBNXKZNB-CQSZACIVSA-N 317.414 2.320 0 40 DEAB Cc1cc(OC2CCN(C(=O)CC(F)(F)F)CC2)nc(C)n1 390827889 LQWOEOVVVLVGMM-UHFFFAOYSA-N 317.311 2.416 0 40 DEAB Cc1ccsc1CCC(=O)N1CC(OC[C@@H]2CCOC2)C1 1565522517 RWIWVVQNYFECES-CYBMUJFWSA-N 309.431 2.253 0 40 DEAB COCc1nccc([C@H]2CCCN(C[C@@H]3CCCCO3)C2)n1 89420450 UYXLQDJIDHTTPT-GJZGRUSLSA-N 305.422 2.372 0 40 DEAB Cc1cc(NCC2(CO)CCOCC2)ncc1Br 97229954 ZUHNEVFXPNIYAI-UHFFFAOYSA-N 315.211 2.354 0 40 DEAB Cc1ccc(Br)c(C(=O)N[C@]23CCC[C@H]2NCC3)n1 1579657439 FOUHKQQGTBBIMO-RISCZKNCSA-N 324.222 2.167 0 40 DEAB Cn1nc(C(=O)OCc2cccc(F)c2)c2ccccc2c1=O 5415669 WNAGFIZREICYHI-UHFFFAOYSA-N 312.300 2.430 0 40 DEAB Cn1ccnc1CN1C[C@@H]2CCCN2C[C@@H]1Cc1ccccc1 19291497 OBXOAQPTPFTUCU-ROUUACIJSA-N 310.445 2.311 0 40 DEAB CCC(C)(C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 19907426 OBEBUMDTSHZUKP-UHFFFAOYSA-N 318.417 2.496 0 40 DEAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](CO)Cc1ccccc1 153519861 DXROWCJSSDBWOK-NHYWBVRUSA-N 317.389 2.255 0 40 DEAB 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2.289 0 40 DEAB CCCOc1ccc(NC(=O)CCN2C(=O)CCC2=O)c(C)c1 55990250 IDSBSMLCNBWESS-UHFFFAOYSA-N 318.373 2.261 0 40 DEAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1cccc(F)c1 35306766 YLBGMAAEYQRJFB-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 12600420 NMJYHTKDELQMKM-BETUJISGSA-N 321.421 2.031 0 40 DEAB CC(C)CN1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2 57531445 XNCVJRBTXCOOLY-AWEZNQCLSA-N 319.792 2.446 0 40 DEAB COCC(=O)Nc1cccc(CNC(=N)Nc2ccccc2)c1 57887708 AFYDERRBRUFDTG-UHFFFAOYSA-N 312.373 2.408 0 40 DEAB Cc1c(C(=O)N2CCCCC2)cnc2nc(-c3ccncc3)nn12 10382315 BIROSOSBVUWBQC-UHFFFAOYSA-N 322.372 2.121 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)c1 10088929 WQFKURNQKCDUJV-CQSZACIVSA-N 322.430 2.478 0 40 DEAB CC(C)Cc1noc(Cn2c(-c3ccccc3)noc2=O)n1 58180014 XITIMUMPVJICFN-UHFFFAOYSA-N 300.318 2.133 0 40 DEAB CO[C@H](CNC[C@@H]1CNc2cc(C)nn2C1)c1ccccc1 58294369 SHHSCVDUDCPEIY-GDBMZVCRSA-N 300.406 2.211 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cn[nH]c1 44966343 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COc1ccc(-c2noc(COC(=O)c3ccccn3)n2)cc1 8447266 OMOZPHOORWJCME-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB O=C(Cn1cnc2ccc(Cl)cc2c1=O)NC1CCCCC1 5253890 DVGVFPVMLKEKPG-UHFFFAOYSA-N 319.792 2.499 0 40 DEAB CN(CC(=O)N(C)C)Cc1cc(F)ccc1Br 69581939 KJJYBXZLSDXJSA-UHFFFAOYSA-N 303.175 2.108 0 40 DEAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1 69517840 MVAGAZKFLWVCRE-HOTGVXAUSA-N 318.417 2.403 0 40 DEAB O=C(COCc1ccccc1Cl)NC[C@H]1CCN(C2CC2)C1 69531552 UTKJHJDXYPRNJW-CYBMUJFWSA-N 322.836 2.457 0 40 DEAB COc1ccc(-c2noc(CSc3ncn[nH]3)n2)cc1OC 6654224 XUZHHZDZRTZDIF-UHFFFAOYSA-N 319.346 2.164 0 40 DEAB C[C@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(F)cc1 14898594 RLQZQOHTOQUBDL-NSHDSACASA-N 311.316 2.325 0 40 DEAB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)NCc1cccs1 69705429 AFKIZKHCGVHJGI-QMMMGPOBSA-N 319.415 2.211 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3nc(C)c(C)o3)C2)n1 69701368 CRPRYTAPIKAAOE-HNNXBMFYSA-N 303.410 2.412 0 40 DEAB CCc1nc(CCNC(=O)NCc2nc(C3CC3)no2)cs1 69708162 LEWYUEARMWIKKR-UHFFFAOYSA-N 321.406 2.008 0 40 DEAB 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CC(C)(C)NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 139925074 GOPVVEYVFJYQTD-UHFFFAOYSA-N 304.799 2.240 0 40 DEAB C[C@H](Oc1nn(C)c2ccccc12)C(=O)NC1CCSCC1 226755213 HVYSOBMZAXTIQU-NSHDSACASA-N 319.430 2.352 0 40 DEAB CC1CCC(NC(=O)[C@@H](C)NC[C@@H]2CCCn3ccnc32)CC1 89922634 SGOLMYORLCTRJY-FYRZTWFESA-N 318.465 2.434 0 40 DEAB Cc1noc(C)c1-c1ccc2ncn(CCC(=O)O)c(=O)c2c1 575072548 BVQPEPSJNCRJHP-UHFFFAOYSA-N 313.313 2.143 0 40 DEAB CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)C(=O)N(C)C)c1 192217855 RVHDWOMADNTITO-LBPRGKRZSA-N 306.410 2.129 0 40 DEAB Cc1ccccc1[C@H](CN1CCOCC1)NC[C@@H]1CCCO1 195560575 MMMAMPJRWUJNIL-WMZOPIPTSA-N 304.434 2.137 0 40 DEAB CCS[C@@H]1CC[C@@H](Nc2ncnc(-n3cccn3)c2N)C1 96483292 HEKQTUNABCHXEK-GHMZBOCLSA-N 304.423 2.331 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@@H](N2CCCC2)C[C@H]1C(=O)O 96069044 HEAYHPULLRCRMB-OLZOCXBDSA-N 322.430 2.210 0 40 DEAB N[C@@H](C(=O)O)c1cc(Br)c(O)c(Br)c1 90684437 SQMNVQXCSHRTOP-ZCFIWIBFSA-N 324.956 2.002 0 40 DEAB O=C(c1cnc2n1CCN(Cc1ccccc1)C2)N1CCCC1 96198669 FHQIRDGTGJYNCM-UHFFFAOYSA-N 310.401 2.135 0 40 DEAB CN(C)C(=O)c1c2c(NCC3CC3)ncnc2n2ccccc12 96264398 FLHALWABHSSQFL-UHFFFAOYSA-N 309.373 2.406 0 40 DEAB COc1ccc(CCC(=O)Nc2cnn([C@@H]3CCOC3)c2)cc1 96123102 XKZAVULUHOBBEF-OAHLLOKOSA-N 315.373 2.424 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)NC(C)(C)c2cnn(C)c2)c1 96446631 SWBMTRRKHFQKJX-UHFFFAOYSA-N 311.382 2.081 0 40 DEAB Cc1ccc(CN2CCc3ncnc(-c4cnn(C)c4)c3CC2)o1 96255191 GKSDBEURXVHEAU-UHFFFAOYSA-N 323.400 2.379 0 40 DEAB O=C(C1CC=CC1)N1CC[C@@]2(CCN(c3cccnc3)C2=O)C1 96159533 MEXKNVBJGHWHSE-GOSISDBHSA-N 311.385 2.003 0 40 DEAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)NCC[S@@](C)=O 96408792 SEWMDZNWXCPGAZ-ASSNKEHSSA-N 310.463 2.421 0 40 DEAB O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1ccsc1 96044358 XDGMQRSQFXFOIV-CQSZACIVSA-N 317.414 2.398 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 248845319 HNDBUXLBYKSLKI-RFBLXINOSA-N 320.433 2.263 0 40 DEAB Cc1cccnc1[C@H](N[C@H](C)C(=O)NC[C@H]1CCCO1)C(C)C 247894599 HAYMZDQLXWFTIF-BZUAXINKSA-N 319.449 2.360 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N1CCN(C)[C@H](c2ccccc2)C1 257283796 OZWRFBGIXAMCKC-KRWDZBQOSA-N 312.417 2.084 0 40 DEAB CN(C(=O)CCc1ccccc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257257362 KPGCLDRTZMNIAU-ZHALLVOQSA-N 316.445 2.065 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CN1CCOCC1)C2 253531638 KAZBZPJDMFZKQY-OVWQWFNUSA-N 311.466 2.301 0 40 DEAB C[C@H]1c2nc(CC(=O)N3CC=CC3)cn2CCN1CC1CCC1 253591067 IRNKNJHVOUEJCT-AWEZNQCLSA-N 314.433 2.001 0 40 DEAB O=C(C1CCOCC1)N1CC2(CO[C@@H](Cc3ccccc3)C2)C1 257330054 XMPFCXALBXQOEJ-KRWDZBQOSA-N 315.413 2.273 0 40 DEAB CNC(=O)C[C@H]1CN(Cc2ccccc2Cl)Cc2ccnn21 585112560 RJNAQLRCUTYOOW-AWEZNQCLSA-N 318.808 2.230 0 40 DEAB CC(C)CNC(=O)CN1CCCN(Cc2cccs2)CC1 48060520 YBKMHCSEHFBZOX-UHFFFAOYSA-N 309.479 2.028 0 40 DEAB C[C@@H](COc1ccccc1F)NC(=O)NCc1cccnc1 55087612 QBINVJLPGAZSSE-LBPRGKRZSA-N 303.337 2.487 0 40 DEAB C[C@@H](Cc1ccc(Br)cc1F)NS(C)(=O)=O 71889157 QMURUSZQJVHLPI-ZETCQYMHSA-N 310.188 2.068 0 40 DEAB O=S(=O)(CCO)Cc1cc(Br)ccc1Cl 84339181 WAXYOXJJPXVWBH-UHFFFAOYSA-N 313.600 2.010 0 40 DEAB CCc1c(C)nc(SCC(=O)N(C(C)C)C(C)C)[nH]c1=O 5021643 YIQOGEJNRVAREH-UHFFFAOYSA-N 311.451 2.378 0 40 DEAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)[C@H]2C[C@@H]2C)n1 12747345 OIVXCRAERZYFNE-ZANVPECISA-N 314.389 2.372 0 40 DEAB Cc1cccc(CN2CCc3nc4ccccc4c(=O)n3CC2)n1 19236324 YOZZLCQOIRXDNQ-UHFFFAOYSA-N 320.396 2.158 0 40 DEAB CCc1nn(CC[C@@H](C)O)c(=O)c2cc3sc(C)cc3n12 19523668 WWYFODSWNDZJJH-SECBINFHSA-N 305.403 2.352 0 40 DEAB CN(C)Cc1cc([C@@H]2CCCN(C(=O)C3CCCC3)C2)nn1C 19709039 QPYMOMLWSVSSBY-OAHLLOKOSA-N 318.465 2.378 0 40 DEAB CN(C)[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 6625086 FKZKFCKMZVPOSH-SNVBAGLBSA-N 305.161 2.337 0 40 DEAB O=C([C@H]1CC=CCC1)N1CC[C@@H](S(=O)(=O)Cc2ccco2)C1 206691849 MZNBVGJWDGPXHG-DZGCQCFKSA-N 323.414 2.152 0 40 DEAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccc(O)nn2)cc1 530275716 HRYAKZQMRPYHBL-HNNXBMFYSA-N 312.373 2.226 0 40 DEAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)C1CCCC1 13714477 HYLXAQWAYQAVBX-UHFFFAOYSA-N 316.401 2.217 0 40 DEAB COc1ccc(C(=O)COC(=O)c2c(C)noc2C)cc1F 5197187 AYNRFOFOTIRKRB-UHFFFAOYSA-N 307.277 2.479 0 40 DEAB CCOC(=O)c1[nH]nc2c1C(=O)N(c1ccc(C)cc1C)C2=O 85696825 WBZILDZSJZSTDD-UHFFFAOYSA-N 313.313 2.004 0 40 DEAB Cc1cc(N2CCN(c3ncnc(C)c3C)CC2)nc(C2CC2)n1 1775974295 WJGVIYQKUGPFDZ-UHFFFAOYSA-N 324.432 2.396 0 40 DEAB CCOc1coc(C(=O)Nc2cccc(NC(C)=O)c2)cc1=O 23136956 XSNSGDQEIWWSNE-UHFFFAOYSA-N 316.313 2.249 0 40 DEAB CO[C@@H](CNC(=O)C(=O)Nc1cccc(C)c1C)c1ccco1 206867197 JNJUSKIWRHJUFQ-HNNXBMFYSA-N 316.357 2.339 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)OC 2098508 MBCOXNBVPVMNRB-DOMZBBRYSA-N 322.405 2.125 0 40 DEAB biogenic CC(C)n1nc(C(=O)N2CCSCC2)c2ccccc2c1=O 40541981 VBKNQXSJGDVPHH-UHFFFAOYSA-N 317.414 2.166 0 40 DEAB CN(Cc1ccc(Br)cc1)C[C@H](O)Cn1cccn1 51558494 AQXVKTGGGPPHCC-AWEZNQCLSA-N 324.222 2.139 0 40 DEAB COc1ccc([C@H](CNC(=O)c2cccc(C)n2)N(C)C)cc1 32202164 MRUZZRRJSDUIGT-KRWDZBQOSA-N 313.401 2.431 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 327710 GZVCUBGNKJYERE-GFCCVEGCSA-N 302.330 2.041 0 40 DEAB CC(C)[C@@H](CNc1ncnc2sccc12)N1CCN(C)CC1 32760677 DUMZHBUPDOQXFJ-CQSZACIVSA-N 319.478 2.375 0 40 DEAB CCC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)CC)ccc1O 32795135 YCCUPBSXESSJEU-SNVBAGLBSA-N 314.407 2.496 0 40 DEAB Cc1n[nH]c([C@H]2CN(C(=O)[C@@H](C)c3cc(C)oc3C)CCO2)n1 76044871 JFILRJFQTBSRLL-IINYFYTJSA-N 318.377 2.027 0 40 DEAB CCCn1cc(NC(=O)c2ccc(N3CCNC3=O)cc2)cn1 76066513 BWJGRXMGIDJRKF-UHFFFAOYSA-N 313.361 2.075 0 40 DEAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1 2501143 INNBGZYVIPYMGZ-BSXFFOKHSA-N 313.353 2.308 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)NCc1ccccc1)C(=O)[C@@H](C)O2 4970768 MKBIEXQERYUGHB-CQSZACIVSA-N 324.380 2.425 0 40 DEAB COc1cc2nc(CN3CCCC[C@@H]3C)[nH]c(=O)c2cc1OC 21848397 BIQNUTBUFXWOHA-NSHDSACASA-N 317.389 2.315 0 40 DEAB CCCCN[C@H](CC(=O)Nc1cc(Cl)ccc1O)C(=O)O 10186459 MYZSMTVVLIKELT-LLVKDONJSA-N 314.769 2.217 0 40 DEAB C[C@@H](NC(=O)NC[C@H]1CCCc2ccccc21)c1nncn1C 46938032 XRRSVUUWCXMPPZ-TZMCWYRMSA-N 313.405 2.295 0 40 DEAB O=C(NC1CC1)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O 8034828 ZBBLZENTOWJOFO-UHFFFAOYSA-N 320.348 2.375 0 40 DEAB Cc1ccc(C2=CCN(C(=O)CN3CSCC3=O)CC2)cc1 53376750 JBTUTHOZEIVBQR-UHFFFAOYSA-N 316.426 2.144 0 40 DEAB C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccccn1 47620912 SPYXXMDMUTZTDO-LBPRGKRZSA-N 310.419 2.035 0 40 DEAB COC(=O)Cn1cnc2c(-c3cccc(F)c3)csc2c1=O 23126184 OLEIRKYIOSVJPR-UHFFFAOYSA-N 318.329 2.437 0 40 DEAB Cn1c(=O)c2ccccc2n2c(COc3ccc(F)cc3)nnc12 12563453 DZMSRMXORNABDD-UHFFFAOYSA-N 324.315 2.299 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(-n2cccn2)cc1 24725730 BTNOJFRJAOYZLU-OAHLLOKOSA-N 315.373 2.190 0 40 DEAB CC(C)c1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1 97062958 ZWFMCWREVWYCKO-QWHCGFSZSA-N 311.403 2.342 0 40 DEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccco1 25375114 SUFIMDXWASWBAM-CYBMUJFWSA-N 306.387 2.412 0 40 DEAB O=C(O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100178834 SLSURLHBKRZMFX-XUXIUFHCSA-N 309.321 2.086 0 40 DEAB COc1cccc(CN(C)[C@H](C(N)=O)c2ccccc2)c1OC 26161294 VPFDKINFFGGCTI-INIZCTEOSA-N 314.385 2.362 0 40 DEAB CCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O 3249225 BRTRHNYBXMPWHT-UHFFFAOYSA-N 305.403 2.379 0 40 DEAB O=C(O)C1=C[C@@H](c2ccncc2)n2nc(-c3ccccc3)nc2N1 102335862 ZZQVFYLPYDAWOF-AWEZNQCLSA-N 319.324 2.324 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3COc4ccccc4O3)cc12 48276133 ZEVQMJYZSLWGEW-HNNXBMFYSA-N 324.340 2.055 0 40 DEAB O[C@@H](COCc1cccs1)CSc1nnc2ccccn12 58290721 RTZYWTHRHZWTHU-NSHDSACASA-N 321.427 2.461 0 40 DEAB Cn1c(C(=O)O)c(I)c2ccccc21 62709383 MVKZEMKDJLLFEP-UHFFFAOYSA-N 301.083 2.481 0 40 DEAB CC(C)(C)OC(=O)N[C@](CCC(=O)O)(C(=O)O)C(C)(C)C 64219654 UMLRIKPLYRMRGT-CQSZACIVSA-N 303.355 2.245 0 40 DEAB COc1c(CNC[C@@H](c2ccc(F)cc2)N(C)C)c(C)nn1C 58344978 JKPUYVDXEJUSAN-INIZCTEOSA-N 320.412 2.269 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N1CCc2ccccc21 10682673 JNDNYVDYYQYKQS-UHFFFAOYSA-N 319.364 2.294 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCN(c2nccs2)CC1 11186975 UFUSYMFWXLNDOE-UHFFFAOYSA-N 320.418 2.029 0 40 DEAB COc1ccccc1CC(=O)Nc1cccc(-c2nnnn2C)c1 11336330 MJUCEKMLKNNRDH-UHFFFAOYSA-N 323.356 2.067 0 40 DEAB COc1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1OC(F)F 29198803 XEOLPBZCLFHDCQ-UHFFFAOYSA-N 310.256 2.182 0 40 DEAB C[C@@H](NC(=O)NCCNc1cnccn1)c1cc(F)ccc1F 46072049 DWWJCAMKGXOHQN-SNVBAGLBSA-N 321.331 2.227 0 40 DEAB C[C@H](NC(=O)CCc1nnc(=S)[nH]c1O)c1ccc(F)cc1 12994040 XNWYPUKUDLUOQB-QMMMGPOBSA-N 322.365 2.189 0 40 DEAB COc1ccc(NC(=O)CSc2nc(C)cc(N)n2)cc1 8734127 MRDVGCCHWNJZDT-UHFFFAOYSA-N 304.375 2.107 0 40 DEAB O=S(=O)(NCCCOCC1CC1)c1cc(F)cc(F)c1 65493749 UCUGHXQFWLBEKB-UHFFFAOYSA-N 305.346 2.060 0 40 DEAB CCN(CC)S(=O)(=O)N[C@@H]1CCCc2ccc(F)cc21 93049112 RITXJXXBUKMFJF-CQSZACIVSA-N 300.399 2.379 0 40 DEAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1 4836774 VUGPLVDLLNMNNX-OAHLLOKOSA-N 315.373 2.104 0 40 DEAB CC(C)CNc1nc(N2CCOCC2)nc2c1SCCC2 9134653 PXMUAISQAWGLRV-UHFFFAOYSA-N 308.451 2.419 0 40 DEAB C[C@@H](Sc1nnnn1C1CC1)c1nc2ccccc2c(=O)[nH]1 8230997 AVAHTDYPXKGWDD-MRVPVSSYSA-N 314.374 2.098 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)CCc2ccccc2Cl)CC1 70004709 PEUWCTJBXUPQHA-HNNXBMFYSA-N 324.852 2.188 0 40 DEAB CCCCS(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1 17030948 PLBVOJFBHMBHIU-UHFFFAOYSA-N 303.380 2.254 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)NCc1nccn1C 96440529 INPLJBQHUZGKGK-JTQLQIEISA-N 306.341 2.128 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)CCc2nc(C)no2)C12CCCC2 96432529 WLQSHEOKHKQOQC-STQMWFEESA-N 307.394 2.165 0 40 DEAB CC(C)c1ncc2c(n1)CN(Cc1cccc(C(N)=O)c1)CC2 72268504 MENLIWULBXDLMB-UHFFFAOYSA-N 310.401 2.257 0 40 DEAB Cc1cccc(C(C)C)c1NC(=O)CN1CCCC[C@@H]1C(N)=O 9501814 DTEVJLZQIFROIK-OAHLLOKOSA-N 317.433 2.397 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 71825638 XFNIJUGQJCCKTN-HNNXBMFYSA-N 314.389 2.217 0 40 DEAB Cn1c(CCNC(=O)CC[C@H]2CCCO2)nc2c(F)cccc21 71893187 WWYNPOJTVDHFPM-GFCCVEGCSA-N 319.380 2.330 0 40 DEAB O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CCCn2ncnc21 71839382 TZXJKQYHSVQADR-LSDHHAIUSA-N 312.373 2.183 0 40 DEAB COc1ccc(C[C@H](C)N(C)CC(=O)Nc2nncs2)cc1 71900524 SAKZDVRTFOQIGY-NSHDSACASA-N 320.418 2.048 0 40 DEAB CC(C)(CNC(=O)Cc1coc2cc3c(cc12)CCC3)C(N)=O 72011205 MRDYFPXGKFYVNW-UHFFFAOYSA-N 314.385 2.092 0 40 DEAB Cc1ccccc1C(=O)NCc1ccccc1CN1CC[C@H](O)C1 97237896 OQQNPMKMSPPHPM-SFHVURJKSA-N 324.424 2.492 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)c1cccc(-n2cccc2)c1 84606493 FVTGUZFERNZUBO-HNNXBMFYSA-N 313.357 2.177 0 40 DEAB CNC(=O)NCC(=O)NC1(c2cccc(Cl)c2)CCCC1 95445796 KYWCFZISZBGOTQ-UHFFFAOYSA-N 309.797 2.155 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@H]2COCC[C@@H]21 95425922 JJIDYAIMSOUGBV-JSGCOSHPSA-N 319.386 2.016 0 40 DEAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1nccn2ccnc12 95404098 SHFGGUGZYOVHGR-UHFFFAOYSA-N 304.313 2.372 0 40 DEAB Cc1cc(C)c(CNC(=O)NC[C@@H]2Cc3ccccc32)c(=O)[nH]1 75121033 JKCRPFMXXBIEBJ-AWEZNQCLSA-N 311.385 2.131 0 40 DEAB CC(C)N1C(=O)C(=O)N(CCc2c(F)cccc2Cl)C1=O 89869716 GLDQVIATPUMZIZ-UHFFFAOYSA-N 312.728 2.221 0 40 DEAB O=C(O)[C@@H]1CS[C@H](Cc2cccc(Cl)c2Cl)C(=O)N1 62712128 GOUZJTABMCCOGV-DTWKUNHWSA-N 320.197 2.221 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 65474239 SZPUQKUEMNWMTA-QGZVFWFLSA-N 309.413 2.354 0 40 DEAB CCn1nccc1C1CCN(C(=O)N[C@H]2COCC2(C)C)CC1 556634649 DDMBGBHPSXVUEP-HNNXBMFYSA-N 320.437 2.217 0 40 DEAB CCCCC(=O)N1CCN(Cc2nc3ccccc3[nH]2)CC1 38907400 FGCLVUFVGNGPQP-UHFFFAOYSA-N 300.406 2.397 0 40 DEAB CCN(CCO)CC1CCN(C(=O)OCc2ccccc2)CC1 79391690 NORDBCGMPAZZAP-UHFFFAOYSA-N 320.433 2.349 0 40 DEAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 72849917 KJSAIAVIDVDHPZ-ZDUSSCGKSA-N 317.433 2.495 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O 77938891 FSDQZLAHMKTPMG-FZMZJTMJSA-N 324.808 2.254 0 40 DEAB Cc1nnc(C(=O)NC[C@@H](C)N2CCc3ccccc32)s1 185351201 RKWFJCYMMMPHCI-SNVBAGLBSA-N 302.403 2.028 0 40 DEAB CS(=O)(=O)c1ccc(-c2cnc(C3CCNCC3)cn2)cc1 72365394 RJOGVJYSDKANBG-UHFFFAOYSA-N 317.414 2.014 0 40 DEAB OC[C@@H]1CN(c2nnc(-c3ccccc3Cl)s2)CCO1 195562950 DUYPKMQMQMOGAM-VIFPVBQESA-N 311.794 2.056 0 40 DEAB O=C(Nc1cc(-c2cccs2)nn1CCO)c1ccco1 42384568 QDOKHHWNLOVDQI-UHFFFAOYSA-N 303.343 2.449 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc(-n2ccnc2)cc1 81700852 IXARMLPVCMEJOG-ZWKOTPCHSA-N 319.364 2.260 0 40 DEAB O=C(Cc1cccs1)N1CCC[C@@H](Oc2cnccn2)C1 225470210 QOOMQJRWFSCLKG-GFCCVEGCSA-N 303.387 2.151 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(F)cc2F)n1 41628947 VXQBZPOAIDSUEP-UHFFFAOYSA-N 311.313 2.087 0 40 DEAB CC(=O)N1CCN(C(=O)N2CCc3ccccc32)C(C)(C)C1 193486807 DQESZNJORPCQJK-UHFFFAOYSA-N 301.390 2.112 0 40 DEAB O=C(c1cccnc1NCC1(CO)CC1)N1CCc2ccccc21 80687000 UUYPOAXFCITOOU-UHFFFAOYSA-N 323.396 2.469 0 40 DEAB CC(C)N(C)CC(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 96449995 DMZUFSZBMOQWBB-BONVTDFDSA-N 316.804 2.357 0 40 DEAB O=C(CCCc1nnc2ccc(Cl)nn12)Nc1cccnc1 96232596 CVTNRKGASNMKAD-UHFFFAOYSA-N 316.752 2.134 0 40 DEAB c1cnc(N2CCC3(CCN(Cc4ccncc4)CC3)C2)nc1 96046599 SHQNQKMTIDCALV-UHFFFAOYSA-N 309.417 2.364 0 40 DEAB Cn1cccc1CN1C[C@H]2CN(C(=O)c3cccs3)C[C@H]2C1 96161817 GVABYUAYLAUWDV-OKILXGFUSA-N 315.442 2.291 0 40 DEAB CN(C)c1ncccc1CNC1CCN(c2nccs2)CC1 97237290 XGCFZOZHOSDBCU-UHFFFAOYSA-N 317.462 2.363 0 40 DEAB COc1ncccc1CNC[C@H]1COCc2nc3ccccc3n21 96112714 VCQSSUUDPKTNSH-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro Cc1cc(C(=O)N2CCC(n3ccnn3)CC2)c(F)cc1F 96487046 FUDMKTCLKHQCMI-UHFFFAOYSA-N 306.316 2.342 0 40 DEAB CC(C)(C)c1cc(C(=O)NCCNC(=O)C2CCCCC2)no1 96425036 KKCCPXOWESACKH-UHFFFAOYSA-N 321.421 2.398 0 40 DEAB COCc1nsc(N2CCc3cc(OC)c(OC)cc3C2)n1 266860437 OKGHETAQBHWFPQ-UHFFFAOYSA-N 321.402 2.264 0 40 DEAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@H]1c1ccncn1 257318681 VOZFRIKDKUETQM-INIZCTEOSA-N 320.356 2.239 0 40 DEAB Cc1cc([C@H]2CCCCN2C(=O)c2cnccn2)nc2ccnn12 257253469 JZBBJAJBLHLVNX-OAHLLOKOSA-N 322.372 2.195 0 40 DEAB CO[C@H]1CCCOC12CCN(C(=O)c1scnc1C)CC2 257281695 OQNTYBWWOXRBJA-LBPRGKRZSA-N 310.419 2.252 0 40 DEAB COc1ncccc1C(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C 257294709 QVISNGMBBCFFKW-FRQROOTJSA-N 315.417 2.178 0 40 DEAB CN(C)Cc1cncc([C@H]2CCCN2Cc2nccs2)n1 257321116 WADMLMCWVQKGIQ-CQSZACIVSA-N 303.435 2.332 0 40 DEAB O=C(Cn1ccnc1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257278471 OCKIBBVBITXEMO-IAGOWNOFSA-N 316.449 2.139 0 40 DEAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](Cc2ccn[nH]2)C1 257251604 JRKYHOQVRFCVFX-LBPRGKRZSA-N 323.393 2.192 0 40 DEAB COc1cc(C)c(C(=O)N2CCC(CC(=O)O)CC2)cc1OC 263046526 FBABXIBCJLLHHW-UHFFFAOYSA-N 321.373 2.339 0 40 DEAB CCCS(=O)(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 57003360 UUQXMKBUZYHSGF-UHFFFAOYSA-N 324.446 2.142 0 40 DEAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)N[C@@H]1CCCOC1 74877375 KKVHIJKGPXBQKQ-MRVPVSSYSA-N 323.340 2.482 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)NC[C@@H](C)c2ccccc2)C1 95949772 WXRYXEOLUSXCMT-CZUORRHYSA-N 303.406 2.100 0 40 DEAB O=C(c1cccs1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104324 UTIUTOZQMWJRDM-UHFFFAOYSA-N 313.444 2.320 0 40 DEAB CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NC(C)C 17300082 BSHWMLLHGLAVIQ-AWEZNQCLSA-N 308.447 2.371 0 40 DEAB CC[C@H](Cn1c(=O)oc2cccnc21)NC(=O)C1CCCC1 19520849 PIBPMXDHZMKWIZ-GFCCVEGCSA-N 303.362 2.075 0 40 DEAB COC(=O)c1cncc(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)c1 108149619 LJRILQUDHOVPJF-AVGNSLFASA-N 302.374 2.424 0 40 DEAB Cc1ccc(N2CC(N(C)C(=O)c3ccc(Cl)cc3)C2)nn1 1888856925 ZHPXIEGGUMJGNZ-UHFFFAOYSA-N 316.792 2.399 0 40 DEAB CCc1ncnc(N2CCC(COc3cnccn3)CC2)c1F 1889099034 APDVRWLXMYZOIC-UHFFFAOYSA-N 317.368 2.264 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2)nc1)[C@H]1CCCO1 31122745 GDMPDOTZLVNUMM-UKRRQHHQSA-N 318.421 2.049 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC(Oc3cccnc3)C2)cc1C 238934924 VKIATAQMNMAUKT-UHFFFAOYSA-N 318.398 2.150 0 40 DEAB CN1CCCC[C@]2(CN(Cc3ccc(F)c(F)c3)CCO2)C1=O 2037984284 WFVYNFAWKDJGLG-KRWDZBQOSA-N 324.371 2.178 0 40 DEAB COc1ccccc1C(=O)NC[C@H](OCCO)c1ccsc1 575622584 ZZPWSENKDZFHBD-HNNXBMFYSA-N 321.398 2.237 0 40 DEAB O=C(O)COCC(=O)Nc1ccc2oc3c(c2c1)CCCC3 8816128 XFRBDPJREXROED-UHFFFAOYSA-N 303.314 2.351 0 40 DEAB CN(C[C@H]1CCCN(C(=O)NC2CC2)C1)C(=O)OC(C)(C)C 50076590 ULNVVIOIWSYRPQ-GFCCVEGCSA-N 311.426 2.437 0 40 DEAB C[C@@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccccc12 40110333 LQGUHJWTJQASFV-CYBMUJFWSA-N 313.401 2.132 0 40 DEAB CNC(=O)CN1CCC(NCc2cccc3ccccc23)CC1 30905498 XHSYTCRJIVMUQH-UHFFFAOYSA-N 311.429 2.140 0 40 DEAB Cc1noc(C)c1C(=O)NCC1(N2CCOCC2)CCCCC1 40460734 BJEWSPYXDCCFPN-UHFFFAOYSA-N 321.421 2.056 0 40 DEAB C[n+]1cn(C[C@H](O)COc2ccc(F)cc2)c2ccccc21 316271 MCTYKYCSXGFAFR-AWEZNQCLSA-N 301.341 2.045 0 40 DEAB Cc1cc(NCC(=O)Nc2ccccc2)ccc1-n1cnnn1 29937438 JJPMHMUYQZJGIA-UHFFFAOYSA-N 308.345 2.021 0 40 DEAB CC(C)[C@H]1CN(C(=O)NCc2cccnc2N(C)C)CCS1 76085366 MTYMYUCXJNDQJF-CQSZACIVSA-N 322.478 2.431 0 40 DEAB Cc1c(C(=O)N2CC[C@@H](O)C2)cnn1-c1ccccc1Cl 76093525 BIORPCFREVSAJA-LLVKDONJSA-N 305.765 2.041 0 40 DEAB CCc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1 79021044 ZJRRNZRIXGDKFF-UHFFFAOYSA-N 302.359 2.321 0 40 DEAB Nc1nccnc1C(=O)OCC(=O)Nc1cccc2ccccc12 3526150 BKWYSXYBMDQQPO-UHFFFAOYSA-N 322.324 2.008 0 40 DEAB O=C1CS(=O)(=O)[C@H](c2ccc(F)cc2)N1c1cccc(F)c1 553716 BYGLIWMDVZPXAE-OAHLLOKOSA-N 323.320 2.425 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)Nc2nc(-c3ccccc3)cs2)C1 46941461 ALOONCPIILYFOL-NSHDSACASA-N 316.386 2.149 0 40 DEAB Cc1ccc(-c2cc(CNC(=O)NC[C@H]3CCOC3)on2)cc1 47067671 WLNXCDRKGDOYNV-CYBMUJFWSA-N 315.373 2.486 0 40 DEAB CN(CCc1ccncc1)Cc1nc2ccccc2c(=O)n1C 97051102 VTKSKVWRLIGHKL-UHFFFAOYSA-N 308.385 2.003 0 40 DEAB O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1ccon1 97085873 MZCALYLCUXNGQH-UHFFFAOYSA-N 316.292 2.226 0 40 DEAB Cc1occc1C(=O)Nc1nc(CN2CCOCC2)cs1 22701767 ZLUZNIAONXYFQI-UHFFFAOYSA-N 307.375 2.129 0 40 DEAB Cc1ccsc1CNC(=O)Cc1cnn(-c2ccccc2)n1 61473243 WVZVRIRQEQVPMJ-UHFFFAOYSA-N 312.398 2.496 0 40 DEAB CCN(CC)Cc1ccc(C(=O)N[C@@H](C)Cn2cccn2)o1 42501374 HCFOJYWHRLRPRU-ZDUSSCGKSA-N 304.394 2.136 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)C1=NN(C)C(=O)CC1 23529361 ZPAMEBJVTNQWOQ-UHFFFAOYSA-N 311.744 2.046 0 40 DEAB CC(=O)N[C@@H](C(=O)NCCCCOc1ccc(F)cc1)C(C)C 9721194 LCARYKQDIFKSHN-MRXNPFEDSA-N 324.396 2.262 0 40 DEAB COc1cccc(NCc2nn(CCc3ccccc3)c(=O)[nH]2)c1 61719243 LNLLRWZWJUVMFH-UHFFFAOYSA-N 324.384 2.435 0 40 DEAB CN(C)c1nc(N(C)C)n(C(=O)Nc2ccc(Cl)cc2)n1 3104949 PPYGUYBTBRSWPT-UHFFFAOYSA-N 308.773 2.144 0 40 DEAB CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)c(C)c2)CC1 35334082 DHGOTABRQZDPEM-UHFFFAOYSA-N 319.405 2.016 0 40 DEAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)COCC1CC1 69900232 IVRHUFKMXZJYFY-UHFFFAOYSA-N 300.362 2.399 0 40 DEAB Cc1ccccc1[C@H]1CCCN1C(=O)NCCN1CCOCC1 57449173 QVSBBIGCIYMIAE-QGZVFWFLSA-N 317.433 2.174 0 40 DEAB Cc1cncc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)c1 106957251 DROFPSIOERQSQE-UKPHBRMFSA-N 309.369 2.467 0 40 DEAB NS(=O)(=O)CCCSC1=Nc2ccccc2CS1 57746207 UBLHDBFUVCMZFN-UHFFFAOYSA-N 302.446 2.333 0 40 DEAB CCOc1ccccc1C(=O)NC[C@@H](C)CN1CCCC1=O 58024390 ANMXKNXPMVCVDJ-CYBMUJFWSA-N 304.390 2.074 0 40 DEAB Cn1cccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 3287639 RIBGMHNDIRHWEJ-UHFFFAOYSA-N 312.247 2.238 0 40 DEAB COCCOCCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 58166181 NNKWGNWBTCKBMK-AWEZNQCLSA-N 317.389 2.103 0 40 DEAB O=C(N[C@H]1CCCNC1=O)c1sccc1-c1ccccc1 58245056 PXWWSAYPGIUEGG-ZDUSSCGKSA-N 300.383 2.424 0 40 DEAB O=C(Nc1nc[nH]n1)[C@H]1C[C@H]1c1cccc(Br)c1 58267557 CWIPFLJLGRXWRW-UWVGGRQHSA-N 307.151 2.309 0 40 DEAB CCc1[nH]ncc1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 72235713 KYJGIRLVWAURCO-CYBMUJFWSA-N 301.394 2.263 0 40 DEAB COc1ccc(Br)cc1CN1CC[C@@H](C(=O)O)C1 62133230 AZRWQBLNQULZSM-SECBINFHSA-N 314.179 2.364 0 40 DEAB CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1)C2=O 3335381 BNAYMTFJACWUEM-UHFFFAOYSA-N 315.373 2.126 0 40 DEAB CC(C)(C(=O)NCc1ccccn1)c1ccc2c(c1)OCCO2 58324980 SQWJXSYRRCMVBP-UHFFFAOYSA-N 312.369 2.447 0 40 DEAB COc1ccccc1C(C)(C)CNC(=O)N1CCO[C@@H](C)C1 58363812 BHNPVVJBBIOKMK-ZDUSSCGKSA-N 306.406 2.403 0 40 DEAB Cc1nc(CNC(=O)NCCCN2CCC[C@H](C)C2)cs1 45343689 WUHXDNZGYOJUOY-LBPRGKRZSA-N 310.467 2.373 0 40 DEAB COCCOCC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 28636251 OLHWVTWFWJVNCC-UHFFFAOYSA-N 317.389 2.364 0 40 DEAB COc1ccc(S(=O)(=O)CC(=O)c2ccc(F)cc2)cc1 48365653 KEESKRZMWGMPDN-UHFFFAOYSA-N 308.330 2.491 0 40 DEAB COc1ccc(Br)c(C(=O)NC[C@H]2CCCO2)c1 3419803 AMZKFNSRYFYXKB-SNVBAGLBSA-N 314.179 2.367 0 40 DEAB CN(c1ccsc1C(=O)O)S(=O)(=O)c1ccc(F)cc1 62591971 WHFWYLAAFKHQSQ-UHFFFAOYSA-N 315.347 2.411 0 40 DEAB C[C@]1(NC(=O)c2cc3ccccc3s2)CCS(=O)(=O)C1 13005158 VAXPJLWRNBVDPD-AWEZNQCLSA-N 309.412 2.208 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2[nH]nc(C)c2Br)C1 49043372 MSGBSWDFZLYPJS-VIFPVBQESA-N 316.199 2.122 0 40 DEAB Cc1cc2oc(=O)cc(CSc3n[nH]c(N)n3)c2cc1C 8708834 ISUKJRUWQXKCFP-UHFFFAOYSA-N 302.359 2.402 0 40 DEAB COCCn1cnc2c([nH]c3ccc(Br)cc32)c1=O 4029008 YXBDCQFAHBWXSS-UHFFFAOYSA-N 322.162 2.287 0 40 DEAB biogenic CCCN(CCC)C(=O)Cn1nnc2sc(C)c(C)c2c1=O 5009853 IEBKIHIMBAAIAM-UHFFFAOYSA-N 322.434 2.118 0 40 DEAB O=C(C[C@@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1F 13725215 AYWVTKWQIUUWHZ-CQSZACIVSA-N 324.315 2.351 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)O 13776719 KYTSFMHGUZQSFG-ZANVPECISA-N 310.350 2.325 0 40 DEAB Cc1csc([C@@H]2CN(c3nn4cc(C)nc4s3)CCO2)n1 65462897 QONGSOYKOZQWIK-JTQLQIEISA-N 321.431 2.442 0 40 DEAB Cc1cccc(OCCN(C)c2ncnc3c2CN(C)CC3)c1 65474235 AIRPNXHAWMIKKI-UHFFFAOYSA-N 312.417 2.288 0 40 DEAB COCCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2o1 65493482 IFSFICBPNRJCSJ-CQSZACIVSA-N 302.374 2.273 0 40 DEAB CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccoc1 65517025 ZIZBUBJWEGTOKF-UHFFFAOYSA-N 315.373 2.128 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=S)n3C)C2)cn1 65605162 XJCVHNDNMQVHSU-LBPRGKRZSA-N 317.418 2.201 0 40 DEAB Cc1csc(=O)n1CCC(=O)N[C@H]1CCc2ccccc21 14374284 LZMKRAPVIFPELD-AWEZNQCLSA-N 302.399 2.412 0 40 DEAB COc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cn1 14482253 QTHJBIRRLBSLAE-UHFFFAOYSA-N 311.341 2.235 0 40 DEAB O=c1n(Cc2coc(-c3ccccc3)n2)nnn1-c1ccccc1 8940942 XRFGEVRSOBEVLD-UHFFFAOYSA-N 319.324 2.132 0 40 DEAB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)o2)c1 5753743 YYHFWDZBNNBJLB-UHFFFAOYSA-N 313.404 2.056 0 40 DEAB C[C@H]1CO[C@@H](c2ccccc2)CN1CC(=O)NCc1ccco1 66852977 WUDOKFFRYKUWPZ-WMLDXEAASA-N 314.385 2.358 0 40 DEAB C[C@@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(N)=O 4938042 VDDXMMFNBIOYBJ-HTQZYQBOSA-N 311.338 2.315 0 40 DEAB CCNCC(=O)Nc1ccc(I)cc1C 6939336 OQQGDGRAZLZOGL-UHFFFAOYSA-N 318.158 2.148 0 40 DEAB CCCNC(=S)NC1CCC(NC(=S)NCCC)CC1 7572046 GUGJHJSOBMWECQ-UHFFFAOYSA-N 316.540 2.046 0 40 DEAB COc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cn1 8018724 JRXLOGKGGIQCGL-OAHLLOKOSA-N 313.357 2.296 0 40 DEAB Cc1nc([C@H]2COCCN2C(=O)c2ccccc2Cl)no1 96000934 HUHHPECSNSLWFQ-GFCCVEGCSA-N 307.737 2.245 0 40 DEAB CC(C)n1cc2c(n1)[C@H](NS(=O)(=O)c1cccnc1)CCC2 96002756 WNWJNAXWCIEIPQ-CQSZACIVSA-N 320.418 2.215 0 40 DEAB NCC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1 19703291 HIDNKHAEIPPDFH-UHFFFAOYSA-N 311.293 2.449 0 40 DEAB biogenic NC(=O)c1cc(-c2csc(N3CCSCC3)n2)ccc1O 69588015 ASHVNLCMLAIDHZ-UHFFFAOYSA-N 321.427 2.168 0 40 DEAB O=C(CC1CCCC1)NCC(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 96402762 OHIJNNJCNHVVNK-HZPDHXFCSA-N 318.392 2.494 0 40 DEAB O=C(Nc1ccnc2ccnn12)c1ccn(-c2ccccc2F)n1 71888840 AXLXIXPIAPFSHE-UHFFFAOYSA-N 322.303 2.306 0 40 DEAB Cc1nc(C)c(C(=O)N2CCOC[C@H]2c2cccn2C)s1 97143874 XJIZEKUNMVYCBI-ZDUSSCGKSA-N 305.403 2.312 0 40 DEAB NC(=O)c1cn(Cc2csc([C@H]3CCCO3)n2)c(C2CC2)n1 97229974 UITALCPSDVWAHL-GFCCVEGCSA-N 318.402 2.216 0 40 DEAB C[C@H]1CN(Cc2nnc(C3CC3)o2)CCN1c1nccs1 95351860 WMIBZFZVJTZKGO-JTQLQIEISA-N 305.407 2.114 0 40 DEAB CSc1nc(C)c(CCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)n1 95385702 BLPLNBAYNQZXBO-GHMZBOCLSA-N 323.462 2.384 0 40 DEAB O=C(NCc1cc(Cl)ccc1OC(F)F)N1CCOCC1 72933406 AKQHIXMCUTYLQO-UHFFFAOYSA-N 320.723 2.483 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCc1cscn1 88269105 ZSIBEDLIIHRUSN-OLZOCXBDSA-N 310.419 2.314 0 40 DEAB CN(CC(C)(C)O)C(=O)NCCSc1ccccc1F 95965136 ZUJUIKXBWSNSSF-UHFFFAOYSA-N 300.399 2.330 0 40 DEAB CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[C@@H](N)C2)n1 95971572 BCKSLRWEWJDGLS-LLVKDONJSA-N 314.389 2.207 0 40 DEAB Cc1nc([C@@H](NC(=O)C2=CCCCO2)c2ccccc2F)no1 74678225 WIMUGYSZWWKRLK-AWEZNQCLSA-N 317.320 2.417 0 40 DEAB Fc1cccc([C@H](CNCc2cc[nH]c2)N2CCOCC2)c1 86251977 SLRSWUPTMJQGSW-KRWDZBQOSA-N 303.381 2.317 0 40 DEAB CCSc1ccc(C(=O)NCCc2nncn2C2CC2)cn1 75136879 FYGJNCVKJFNAEL-UHFFFAOYSA-N 317.418 2.093 0 40 DEAB COCCCCCNC(=O)N1CCOC[C@@H]1c1ccc(C)o1 89652777 HPCFLEZZIAIVGR-CQSZACIVSA-N 310.394 2.488 0 40 DEAB COc1cccc(CCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c1 1549746143 ODFPVBUZEUSOGM-ZDUSSCGKSA-N 314.389 2.067 0 40 DEAB CC(C)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)O 217563243 XREXGNDDOUSPTM-UHFFFAOYSA-N 314.407 2.282 0 40 DEAB CC1CC(C(=O)N2CCN(C3CCN(C(C)C)CC3)CC2)C1 533227994 WDYKENCBJGDPHC-UHFFFAOYSA-N 307.482 2.050 0 40 DEAB COc1ccccc1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 78879461 IPOABJIYLSSGDG-LBPRGKRZSA-N 320.389 2.434 0 40 DEAB O=C(NCc1ccc(F)cc1)NC[C@@H](O)Cc1ccccc1 70639444 IDDMDWMPBMJQJD-INIZCTEOSA-N 302.349 2.229 0 40 DEAB Cc1cc(C)nc(N2CCN(c3nc(C)nc(C)c3C)CC2)n1 340790661 YBSDXODFWMPEGF-UHFFFAOYSA-N 312.421 2.135 0 40 DEAB NC(=O)c1cn[nH]c1[C@H]1CCCN1Cc1ccc2[nH]ccc2c1 72366182 DMCMYCGYLYVBRL-OAHLLOKOSA-N 309.373 2.327 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)c1ccccc1Cl 79051999 NJCHCTYGLVSYIC-UHFFFAOYSA-N 303.811 2.283 0 40 DEAB Cc1ccsc1CCC(=O)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 238863505 LFRLQSAZFTYSMN-MCIONIFRSA-N 309.431 2.442 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Cl)c1 72227584 ATMOSSONZDADHU-HUUCEWRRSA-N 316.744 2.484 0 40 DEAB CCN(CC(=O)O)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79392386 BWQNWBDCOFASJV-NWDGAFQWSA-N 300.399 2.229 0 40 DEAB CC(=O)NC1CCC(NC[C@H](O)c2ccccc2Cl)CC1 133544299 KHQVPZALYOBTBK-ZUEPYMLJSA-N 310.825 2.410 0 40 DEAB Cc1ccc(NCc2nccn2C(F)F)cc1-n1nnnc1C 195537125 UXSBZMXURMFIMO-UHFFFAOYSA-N 319.319 2.483 0 40 DEAB O=C(c1nn(-c2ccc(Cl)cc2)cc1O)N1CCCCO1 194563999 VLASYGPURDBRRW-UHFFFAOYSA-N 307.737 2.399 0 40 DEAB Cc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 222378441 ZYWHXLZVMCTBKH-IFMAEWBWSA-N 308.381 2.418 0 40 DEAB COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)Cc1ccco1 44444027 GCIZACFGAAPNCU-JTQLQIEISA-N 313.350 2.337 0 40 DEAB Cc1noc(CCNC(=O)N2CCSC3(CCCCC3)C2)n1 80108701 QNFDGYZBWNMRPT-UHFFFAOYSA-N 324.450 2.382 0 40 DEAB Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@@H]1CCN(S(C)(=O)=O)C1 90797316 RQYVGAHFIUUQAZ-YCPHGPKFSA-N 322.474 2.414 0 40 DEAB C[C@@H](O)[C@H]1CCN(C(=O)NCCCN(C)c2ccc(F)cc2)C1 96502513 JGJSKXGCGWCXHW-KGLIPLIRSA-N 323.412 2.064 0 40 DEAB O=S(=O)(c1ccoc1)N1CCCN2c3ccccc3C[C@H]2C1 577620419 JKLRVOQWSXGSRE-AWEZNQCLSA-N 318.398 2.105 0 40 DEAB Cc1cnc(N2CCC3(CC2)C[C@H](N2CCCC2)CO3)nc1 96158645 DKAKZNWSVFFPMY-HNNXBMFYSA-N 302.422 2.009 0 40 DEAB O=C1C[C@H](c2ccncc2)C2(CCN(Cc3ccco3)CC2)N1 96199896 DFGPSTIFQGIFEC-MRXNPFEDSA-N 311.385 2.313 0 40 DEAB CCCCNC(=O)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96216969 XYZWPMVFFWFMAA-KRWDZBQOSA-N 317.437 2.279 0 40 DEAB CS(=O)(=O)c1c[nH]nc1-c1ccc(Br)cc1 95097873 QTXXMWFLRPZLSE-UHFFFAOYSA-N 301.165 2.243 0 40 DEAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccn1)C2 96039371 MGQWBKBPNCTHDN-SJLPKXTDSA-N 318.417 2.058 0 40 DEAB CN(CC(=O)NC[C@H]1CCOc2ccccc21)[C@@H]1CCSC1 95449549 YTCKKLZVFPMMKY-ZIAGYGMSSA-N 320.458 2.106 0 40 DEAB COc1c(F)cc(NC(=O)N[C@H]2CCC[C@@H]2CO)cc1F 96434188 BUBNJPVZUKGFFB-PELKAZGASA-N 300.305 2.256 0 40 DEAB Cc1nnc(CN(C)C(=O)c2ccc(-c3ccccc3)n2C)n1C 96426519 PKWPFNJKSZJYCX-UHFFFAOYSA-N 323.400 2.401 0 40 DEAB CN(Cc1ccc(Cl)s1)c1ncnc2c1cnn2CCO 97200352 QOXDHLFMYKSPMO-UHFFFAOYSA-N 323.809 2.170 0 40 DEAB Cn1ncc(C(=O)NCCCn2cnc3ccccc32)c1Cl 96181068 LLJFJVZQNLTJSQ-UHFFFAOYSA-N 317.780 2.243 0 40 DEAB C[C@H](CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)O 96480542 DWUVTROUVKBXIB-SECBINFHSA-N 322.748 2.374 0 40 DEAB CC(C)CN1CCO[C@H](COC(=O)c2noc3c2CCCC3)C1 96420383 UJSAGTRPHFAXHV-ZDUSSCGKSA-N 322.405 2.067 0 40 DEAB Cn1ncc2c1CCCN(C(=O)Nc1ccn3ccnc3c1)C2 333855549 YEHFLZXBKOCLGY-UHFFFAOYSA-N 310.361 2.048 0 40 DEAB O=S(=O)(Cc1ccccc1)Nc1cnn(-c2ccccn2)c1 97230176 FTYZLKYPTFDVKB-UHFFFAOYSA-N 314.370 2.209 0 40 DEAB NC(=O)c1cnc([C@H]2CCCN2C(=O)c2cccc(F)c2)s1 257327863 XDBXZYBBVPNDFV-LLVKDONJSA-N 319.361 2.358 0 40 DEAB NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCO2)c1 257267259 MGORKCOZFURLCH-HNNXBMFYSA-N 311.385 2.116 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2ccncn2)C1 257254682 KEFHMRAYZUJEFT-CYBMUJFWSA-N 300.362 2.030 0 40 DEAB OC[C@@]1(Cc2cccc(F)c2)CN(Cc2cccnc2)CCO1 585276613 QNZKRKFKRXSBDU-GOSISDBHSA-N 316.376 2.027 0 40 DEAB Cc1ncsc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 57146131 QKTVOFZKJKAYMW-UHFFFAOYSA-N 317.418 2.009 0 40 DEAB CC(=O)c1cccc(OCCCC(=O)NC[C@@H]2CCCN2C)c1 57557120 ZVZUPGPEJUDGCJ-INIZCTEOSA-N 318.417 2.259 0 40 DEAB Cc1nc(C)c(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)o1 89203316 GWYZMSNVTJANHH-UHFFFAOYSA-N 308.359 2.256 0 40 DEAB CSC[C@](C)(O)CN[C@@H]1CCCN(Cc2ccccc2)C1 96478064 UYYDVFOUAAFZAJ-IAGOWNOFSA-N 308.491 2.355 0 40 DEAB O=C(NCC1(O)CSCCSC1)c1ccccc1Cl 1888856938 XWPXJKMOSCNMKO-UHFFFAOYSA-N 317.863 2.281 0 40 DEAB C[C@@H](C(=O)n1cnc2ccccc21)N1C(=O)c2ccccc2C1=O 5515559 KSKVEBOQWJUFNY-NSHDSACASA-N 319.320 2.361 0 40 DEAB CC(C)[C@H](Cn1nnc2ccccc21)NC(=O)c1cscn1 12183252 LDFWBUYLPDSAII-LBPRGKRZSA-N 315.402 2.342 0 40 DEAB O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1cccc(F)c1 15935481 VVTWARZAMSKTQH-UHFFFAOYSA-N 319.361 2.129 0 40 DEAB Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1Cc1ccccc1 8334354 ZMHJJCMIIWPDLL-SXGWCWSVSA-N 322.368 2.255 0 40 DEAB CN(c1nccc(C(F)(F)F)n1)C1CN(c2ccccn2)C1 1889090935 MOKLNVLWIAQFME-UHFFFAOYSA-N 309.295 2.215 0 40 DEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1n[nH]c2ccccc12 33024141 NDLYXOSYOLMNCQ-GFCCVEGCSA-N 323.352 2.475 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3ncc(Cl)cc3F)C2)nc1 2087128973 HASAMIGNDKGASC-SNVBAGLBSA-N 324.743 2.330 0 40 DEAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1 5709540 GUGKWGCYICZRLG-UHFFFAOYSA-N 312.325 2.267 0 40 DEAB COc1cc2c(cc1CN[C@@H](C)CN1CCCC1=O)O[C@H](C)C2 40153273 HPWKUKCTWYLOFW-QWHCGFSZSA-N 318.417 2.119 0 40 DEAB O=C(C[C@H]1C=CCC1)NC[C@@H]1CN(Cc2ccccc2)CCO1 40472981 BMNZIIGZYXDKGC-FUHWJXTLSA-N 314.429 2.360 0 40 DEAB COCCN1CC[C@@H](CNC(=O)C(C)(C)c2ccccc2C)C1 60480810 YZPQESWUYRWLSJ-INIZCTEOSA-N 318.461 2.357 0 40 DEAB CO[C@H]1[C@H](COC(=O)C2CCCCC2)O[C@@H]2OC(C)(C)O[C@H]12 1715927 LVMXTLVYAUOSRO-RMRHIDDWSA-N 314.378 2.001 0 40 DEAB CN(CCN1CCCC1=O)C(=O)C12CC3CC(CC(C3)C1)C2 78673998 CAUACFHWVUCHSP-UHFFFAOYSA-N 304.434 2.284 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCc2nccn2C)C12CCCCC2 78936996 WKTBHVOYWZAMKF-UONOGXRCSA-N 320.437 2.347 0 40 DEAB CC(C)(C)OC(=O)NC1CN([C@H](C(=O)O)c2cccs2)C1 2527353 UTRVQCJATMQJJU-NSHDSACASA-N 312.391 2.083 0 40 DEAB CNC(=O)c1ccc(CN(C)Cn2nc(C)sc2=S)cc1 52584108 PDLJIZILZMYSNE-UHFFFAOYSA-N 322.459 2.432 0 40 DEAB COc1ccc(-n2nnnc2SCC(=O)C(C)(C)C)cc1 3501759 CKIAUYFESZOQJD-UHFFFAOYSA-N 306.391 2.378 0 40 DEAB Cc1ccc(C(=O)N2CCN(CCc3ccccn3)CC2)cc1 21786901 IWIVNDLVVFNBAY-UHFFFAOYSA-N 309.413 2.391 0 40 DEAB COc1cccc(C[C@H](C(=O)Nc2ccccc2)c2nnn[nH]2)c1 418758 QDBXOCRBJGZNBW-HNNXBMFYSA-N 323.356 2.173 0 40 DEAB CN(C)CCNC(=S)N[C@H]1CCCOc2ccc(F)cc21 53534195 SFKQWYQOCRUQMO-ZDUSSCGKSA-N 311.426 2.065 0 40 DEAB O=C(NCc1cc(-c2ccccc2)no1)NC[C@@H]1CCOC1 47067672 WVYITGZWVWFBNL-LBPRGKRZSA-N 301.346 2.177 0 40 DEAB COCc1ccccc1NS(=O)(=O)c1ccc(C(=O)O)cc1 42792551 AXUNLGSPSLGNAG-UHFFFAOYSA-N 321.354 2.332 0 40 DEAB Cc1cc(C)c(C(=O)NC(C)(C)c2noc(CN(C)C)n2)o1 176362661 SNFDNUHCQOXKKP-UHFFFAOYSA-N 306.366 2.006 0 40 DEAB CN1C(=O)N(C[C@@H](O)c2ccccc2)C(=O)C12CCCCC2 24098282 XBZJWWGUVCPLNB-CQSZACIVSA-N 302.374 2.317 0 40 DEAB CCOC(=O)CSc1nccc(-c2cn(CC)nc2C)n1 12395030 LOFYXLWEVNXKSS-UHFFFAOYSA-N 306.391 2.324 0 40 DEAB Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cn1 55403943 LCJPXNQQCBVROY-UHFFFAOYSA-N 311.263 2.278 0 40 DEAB C[C@H](O)CN1CCN(Cc2coc(-c3ccccc3)n2)C[C@@H]1C 106840901 FXGBWBNRDVKSNR-GJZGRUSLSA-N 315.417 2.229 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@H]2c2cccc(F)c2)CC1=O 55864291 YFUZEHJMCYYXES-ZFWWWQNUSA-N 304.365 2.358 0 40 DEAB O=C(NCCCN1CCCCCC1)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1 107146272 KHPSFUQIEIADRH-QBPKDAKJSA-N 321.465 2.071 0 40 DEAB Nc1nc(Cl)nc2ccc(I)cc12 26899414 VDUBXEDYGYAQES-UHFFFAOYSA-N 305.506 2.470 0 40 DEAB Cc1oc(-c2nc(-c3cccs3)no2)cc1S(N)(=O)=O 97081183 FOHHCAZGQQYZNH-UHFFFAOYSA-N 311.344 2.014 0 40 DEAB O=C(NCc1ccccn1)NC[C@@H](c1ccco1)N1CCCC1 44889773 YRIPERNDCILWFO-HNNXBMFYSA-N 314.389 2.311 0 40 DEAB COCCOc1cccc(C(=O)NCCc2cccnc2)c1 58281655 TUEQQKJTEAZWDH-UHFFFAOYSA-N 300.358 2.079 0 40 DEAB CN1N=C(c2ccc(N3CCCC3=O)cc2)C[C@H]1c1cnn(C)c1 58265252 UEMJPLJQEHLJDQ-KRWDZBQOSA-N 323.400 2.328 0 40 DEAB CCO[C@@H](C(=O)Nc1cccc(-n2cnnn2)c1)c1ccccc1 58203045 CUMMYUHCLQGVOQ-MRXNPFEDSA-N 323.356 2.379 0 40 DEAB O=C(O)/C=C/CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 44980267 RQVSRUDZWARQQU-HNQUOIGGSA-N 324.764 2.146 0 40 DEAB Cc1cc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)no1 48275070 UCVFJSDBOUFBNU-OAHLLOKOSA-N 313.357 2.077 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)Sc1ccc2c(c1)OCCCO2 10603361 DIEYSJSTNDGFPE-JTQLQIEISA-N 324.402 2.174 0 40 DEAB CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC 3318975 DADLZPWOSKDEHU-UHFFFAOYSA-N 319.430 2.425 0 40 DEAB CCc1ccc2c(CSc3nnnn3C)cc(=O)oc2c1 3347798 HJZWBMOSOQEHKU-UHFFFAOYSA-N 302.359 2.171 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)C[C@@H](C)O1 28654551 LDAPYMAKVFEGNH-GHMZBOCLSA-N 320.414 2.370 0 40 DEAB NC(=O)Cc1ccccc1NC(=O)NCCc1cccs1 45725242 YERIGBKCNBSAKV-UHFFFAOYSA-N 303.387 2.140 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)N[C@@H]1CCc2ccccc21 48311165 RMEFEPMSGHAPNB-CQSZACIVSA-N 311.389 2.053 0 40 DEAB Cc1c(C(=O)Nc2ncccc2O)nnn1-c1ccc(F)cc1 45884216 NRZCYQQVOSTXPZ-UHFFFAOYSA-N 313.292 2.068 0 40 DEAB CCCCn1c(S[C@@H](C)C(N)=O)nc2ccccc2c1=O 3492753 QUXMNNIJDBAFJJ-JTQLQIEISA-N 305.403 2.163 0 40 DEAB COc1ccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1C 69807716 OCPMVMPSLKVHQO-NSHDSACASA-N 307.394 2.428 0 40 DEAB C[C@H](OC[C@@H](O)CN1CCC[C@@H](O)C1)c1ccc(Cl)cc1 13145870 CUXCKSIMWNVHKG-MAZHCROVSA-N 313.825 2.235 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2ccccc2Br)C1 13170216 UGOPLYGVOPMCFS-VIFPVBQESA-N 312.163 2.386 0 40 DEAB COC(=O)c1ccc2c(=O)n(-c3ccccn3)c(=S)[nH]c2c1 8702628 FMJPZCGMUXXNPA-UHFFFAOYSA-N 313.338 2.230 0 40 DEAB COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N 4295217 BGIZQPMUHKCJQO-UHFFFAOYSA-N 323.399 2.437 0 40 DEAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1CCS(=O)(=O)C1 39527360 NNSBZPQMAPQSRQ-ZYHUDNBSSA-N 313.444 2.019 0 40 DEAB CC(=O)N(Cc1ncc(C)o1)[C@@H]1CCN(Cc2ccncc2)C1 84259224 QQAFDGFJABCAJK-MRXNPFEDSA-N 314.389 2.001 0 40 DEAB CCOc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409378119 MFNGAKZKKAXHRA-UMPJEAMMSA-N 317.341 2.068 0 40 DEAB CCN(C)CCNC(=O)c1cc(-c2ccccc2Cl)[nH]n1 65404138 XIUCRGBCJJMFTE-UHFFFAOYSA-N 306.797 2.412 0 40 DEAB 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CS(=O)(=O)CCN1CCC[C@H]1c1nc2ccccc2s1 44871210 HHHFQIQRAYUAKV-LBPRGKRZSA-N 310.444 2.478 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3CCOC3)C2)c1 110659064 MUZVGFCUWPEBPD-CABCVRRESA-N 320.433 2.251 0 40 DEAB CCCO[C@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 67111430 SCRXEJZXJKLYAB-HNNXBMFYSA-N 314.389 2.299 0 40 DEAB COCCOc1ncccc1C(=O)Nc1cc(C(C)(C)C)n[nH]1 58332921 MNQQMDVILHJYHE-UHFFFAOYSA-N 318.377 2.380 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)C2CCNCC2)c(Cl)c1 36300072 NUPUOTCXVFRRCC-UHFFFAOYSA-N 302.827 2.021 0 40 DEAB CC(=O)NCC1CCN(C(=O)c2cc3c(s2)CCC3)CC1 48352643 MFTIKDHFRSTUIM-UHFFFAOYSA-N 306.431 2.225 0 40 DEAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1ccc(=O)[nH]c1 10964701 ZKHMSRGSPPBISY-GFCCVEGCSA-N 304.346 2.481 0 40 DEAB CN(CCNC(=O)C1(c2ccc(F)cc2)CCOCC1)C1CC1 58858815 CWDYFOVRDPFKJJ-UHFFFAOYSA-N 320.408 2.084 0 40 DEAB Fc1cc(CNc2ncnc3[nH]ncc23)ccc1-n1ccnc1 48325419 APUQVFCQNSPRBO-UHFFFAOYSA-N 309.308 2.290 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1CC(=O)N(C2CC2)C1 48434659 GXKMRTKZWOGHJR-JTQLQIEISA-N 324.783 2.448 0 40 DEAB Cc1nccn1Cc1c(Cl)c(=O)n(-c2ccccc2)n1C 13233608 XFHIYXNMOOYASQ-UHFFFAOYSA-N 302.765 2.383 0 40 DEAB COC(=O)[C@H](C)CN(C)C(=O)c1ccc(N2CCC(C)=N2)cc1 63748324 KLIOVSBXHXZVJH-GFCCVEGCSA-N 317.389 2.154 0 40 DEAB CCc1c([C@H](C)S(=O)(=O)c2ccccc2)[nH]c(=O)n1CC 13597132 PXPVNCWPZANXFM-NSHDSACASA-N 308.403 2.294 0 40 DEAB CCOCCN1CCN(Cc2nc3ccccc3s2)CC1 69773603 WSMQYHGQHWKMBN-UHFFFAOYSA-N 305.447 2.450 0 40 DEAB CN(Cc1cccc(S(=O)(=O)N(C)C)c1)Cc1ccco1 65605440 LKJMEDYNPZXAES-UHFFFAOYSA-N 308.403 2.162 0 40 DEAB COc1cccc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12 4581094 QIONTIWKCIEOAF-UHFFFAOYSA-N 317.341 2.053 0 40 DEAB Cc1nc([C@H]2CN(C(=O)C(C)(C)C3CCCC3)CCO2)no1 96000782 KOFBUQQMDDRGQP-CYBMUJFWSA-N 307.394 2.494 0 40 DEAB CCOC(=O)[C@@H]1C[C@]2(C(=O)Nc3ccc(C)cc32)N2CCC[C@@H]12 15022602 OADUTSIQQFOQFS-MRAWALMUSA-N 314.385 2.190 0 40 DEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CCCCCC1 15303299 KCNBVXQUSCJUBC-KBPBESRZSA-N 306.406 2.001 0 40 DEAB CC(C)n1cc([C@H](C)N[C@@H]2CC(=O)N(CC(F)(F)F)C2)cn1 90074220 FFMMXMYEHKCXLM-CMPLNLGQSA-N 318.343 2.278 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)O)C2)cc1 71405191 XAZIOURHZYSVNS-VXGBXAGGSA-N 305.330 2.303 0 40 DEAB CC(=O)N1CC[C@@H](NCc2cc(F)ccc2Br)C1 90189129 LPVCFQZEQMQIPF-GFCCVEGCSA-N 315.186 2.299 0 40 DEAB COc1ccc(OS(=O)(=O)c2cccc(C#N)c2)c(C=O)c1 68037821 IFNZULDSBMJIOD-UHFFFAOYSA-N 317.322 2.147 0 40 DEAB Cc1nn(C)cc1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCC1 71281239 OOBSMQCTTSPGSU-NSHDSACASA-N 315.377 2.457 0 40 DEAB O=C(CCc1ccsc1)N1CCN(c2ccccn2)CC1 7736927 JJKASTDJNVXJFT-UHFFFAOYSA-N 301.415 2.425 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1ccc2ncsc2c1 16491243 ODXIZVKNRHIMBG-UHFFFAOYSA-N 323.381 2.312 0 40 DEAB CC(C)[C@H](NC(N)=O)C(=O)N1CCC(Cc2ccccc2)CC1 8071955 ADFYGTBLGXAPSR-INIZCTEOSA-N 317.433 2.161 0 40 DEAB O=C(CCc1nc[nH]n1)Nc1ccc(F)cc1OCC(F)F 91106298 WENDMTGUDFIFBS-UHFFFAOYSA-N 314.267 2.159 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@H](n4ccnc4)C3)cn12 70011820 AFOBHPSTHOYZJQ-AWEZNQCLSA-N 309.373 2.317 0 40 DEAB Cc1nc2cc(C(=O)NCCOCC(F)(F)F)ccc2n1C 69322788 NXLTYTSTAINKPL-UHFFFAOYSA-N 315.295 2.190 0 40 DEAB COC(=O)[C@H](NC(=O)COc1cc(C)ccc1Cl)C(C)C 9314314 KPJBIPAXUOBNER-CQSZACIVSA-N 313.781 2.341 0 40 DEAB O=C(c1ccc(Cl)cc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72281278 OGQUVRYVOBYWMA-LSDHHAIUSA-N 308.809 2.011 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)n[nH]1 71799576 PGGLQULMAHBJDZ-GHMZBOCLSA-N 315.377 2.421 0 40 DEAB Cc1csc([C@@H](C)CNC(=O)Nc2cnc(N(C)C)nc2)n1 97113472 OTMSEXKMYBURGN-VIFPVBQESA-N 320.422 2.233 0 40 DEAB CCN(CC(=O)N1CCC[C@@H](O)C1)Cc1ccc(Cl)cc1 71897830 SCCMJCYXJLNVNO-OAHLLOKOSA-N 310.825 2.145 0 40 DEAB CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1 71905694 HPKVYNJBLFPJRG-MRXNPFEDSA-N 324.425 2.089 0 40 DEAB O=C(CN(CCc1cccc(F)c1)C1CC1)Nc1nncs1 71905298 SUJWFQAUEYXSHN-UHFFFAOYSA-N 320.393 2.323 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1cccc(-n2cccc2)c1 97197409 CRGBNOGEJFCOSK-HNNXBMFYSA-N 306.369 2.419 0 40 DEAB O=C1CN(C(=O)c2cc(Cl)ccc2F)c2ccncc2N1 72300965 RHUZVIHCDGUPEH-UHFFFAOYSA-N 305.696 2.473 0 40 DEAB Cc1nsc(N2CCN(C(=O)Nc3cccc(F)c3)CC2)n1 72311229 LFNWBGHQGCXZJH-UHFFFAOYSA-N 321.381 2.340 0 40 DEAB Cc1nccc(N2CCN(C(=O)c3sccc3C)CC2)n1 97376361 DDYIIBGVOGYFMY-UHFFFAOYSA-N 302.403 2.117 0 40 DEAB Fc1cccnc1N1CCN(Cc2nccn2C(F)F)CC1 84485038 WEDGWMVTQUVSIN-UHFFFAOYSA-N 311.311 2.135 0 40 DEAB CCCc1noc([C@H](C)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 84759039 BMGNPZLGKZAJCL-ZOWXZIJZSA-N 319.409 2.184 0 40 DEAB C[C@@H](CNC(=O)CSc1nccc2ccccc12)[S@](C)=O 95436491 NNZPPQCGTNSHSN-WIUDPPPLSA-N 322.455 2.210 0 40 DEAB Cc1cc(C(=O)Nc2nc(C(C)C)n[nH]2)c2c(C)noc2n1 95474691 XECDTLJPIGUMTM-UHFFFAOYSA-N 300.322 2.333 0 40 DEAB CCO[C@@H](C)C(=O)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1 84800574 UTMDQBBLXFZTOU-RYUDHWBXSA-N 301.383 2.354 0 40 DEAB COc1cc(CCNC(=O)N2CCC[C@H]2C(C)(C)O)ccc1F 95939493 UVYSXRXWESCTSJ-HNNXBMFYSA-N 324.396 2.322 0 40 DEAB O=C(CN1CCC[C@H]1Cc1ccccc1)NCc1cccnc1 75137024 AUEYMVLBMJKYGS-SFHVURJKSA-N 309.413 2.405 0 40 DEAB CN(Cc1cnn(C)c1)c1cncc(OCc2ccccc2)n1 89755732 RONWJYXMKRTNIF-UHFFFAOYSA-N 309.373 2.426 0 40 DEAB O=C(O)c1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1 89774495 LTPDCENYHAPVEX-UHFFFAOYSA-N 313.309 2.086 0 40 DEAB Cc1cscc1C(=O)N(C)[C@H]1CCCC[C@@H]1S(C)(=O)=O 89708870 KSXLXZHSZKUTNQ-STQMWFEESA-N 315.460 2.484 0 40 DEAB COc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3C[C@H]3C)c(C)c12 75515708 LHRREZOJXUTVGJ-RNCFNFMXSA-N 316.405 2.051 0 40 DEAB COC(=O)c1cc2cc(CSc3nnc(N)[nH]3)ccc2o1 172693571 NBLUSPWGUXANGH-UHFFFAOYSA-N 304.331 2.212 0 40 DEAB CO[C@@H]1C[C@@H](c2nc(C)c(C)[nH]2)N(Cc2cn(C(C)C)nn2)C1 1548935824 CITJXPKODDRBIL-CABCVRRESA-N 318.425 2.161 0 40 DEAB CC(=O)c1cccc(NS(=O)(=O)c2cnn(C(C)C)c2)c1 72239278 REMJEBWLSLNHOU-UHFFFAOYSA-N 307.375 2.467 0 40 DEAB CC(C)(C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 30753351 ACQBOWGPDMCDSY-UHFFFAOYSA-N 324.446 2.141 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C\Nc2ccc(F)cc2)C1=O 36636248 COXCDNAJKMOMIZ-XFFZJAGNSA-N 324.333 2.338 0 40 DEAB C[C@H](NC(=O)NC[C@@H](O)C1CC1)c1cccc(-n2cccn2)c1 74939663 YOPLYNKBEIZCRH-BLLLJJGKSA-N 314.389 2.003 0 40 DEAB O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(-c2ccco2)n[nH]1 36744134 HUZRFWWUUNRRSR-UHFFFAOYSA-N 312.211 2.059 0 40 DEAB CS(=O)(=O)c1ccc(CCNc2cncc(Cl)n2)cc1 78380820 QASGMZJZNCXNLI-UHFFFAOYSA-N 311.794 2.188 0 40 DEAB COc1ccc([C@H]2OCC[C@@H]2N=c2cc[nH]c3ccncc23)cn1 565358781 XUGHYOHVDIZVKE-FUHWJXTLSA-N 322.368 2.397 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCSC[C@@H]1c1ccccc1 79360288 SZOGXUYTCIYFPB-CQSZACIVSA-N 300.383 2.305 0 40 DEAB CN1C(=O)CC[C@H](C(=O)N2CCCC2)[C@@H]1c1cccc(F)c1 72241949 YJGQCONXTVFVOE-HOCLYGCPSA-N 304.365 2.358 0 40 DEAB CC(=O)Nc1ccc(OCc2ncc(C(=O)O)c(C)n2)cc1 217397766 GOHXCMOECXPARU-UHFFFAOYSA-N 301.302 2.021 0 40 DEAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1cnccn1 75166600 MNVMYBKXLYPFRM-UHFFFAOYSA-N 312.354 2.132 0 40 DEAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)NCc1cccnc1)[C@@H]2C(=O)O 227032835 WYAPBKMAHCVPIV-RRCSTGOVSA-N 312.369 2.167 0 40 DEAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1cn2ccccc2n1 195554242 OJZKYZYYVNGBEV-DZGCQCFKSA-N 316.405 2.027 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](C)[C@H]2C(=O)OC(C)(C)C)ncn1 573558700 TUFFONOJQNPREC-FZMZJTMJSA-N 319.405 2.367 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)[C@H](O)c1ccc(F)c(F)c1 225543518 XHJBNBXPAZRFOX-QFYYESIMSA-N 323.343 2.086 0 40 DEAB Cc1nnccc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 333507285 DOFIXLWTODUNCI-AWEZNQCLSA-N 303.410 2.125 0 40 DEAB CC(C)(C)[C@H](CCO)NC(=O)N[C@H]1COc2ccccc2C1 97100674 BCOCZAYIMRSXEY-HIFRSBDPSA-N 306.406 2.086 0 40 DEAB Cn1cc(C=O)cc1C(=O)N[C@@H](Cn1ccnc1)c1ccccc1 1588784401 BDYZPHZKAGFFDT-INIZCTEOSA-N 322.368 2.205 0 40 DEAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1nccs1 96062040 MEYBAMPQPPPSBG-GFCCVEGCSA-N 314.418 2.161 0 40 DEAB COc1cccc(CN2CCOC[C@H](Oc3cccnc3)C2)c1 96113210 KWVODZWRSOLAFN-GOSISDBHSA-N 314.385 2.370 0 40 DEAB biogenic,in-vitro Cc1nccn1CCCCNC(=O)Nc1ccc(N(C)C)nc1 96434023 AIRLFJIUUWCZJW-UHFFFAOYSA-N 316.409 2.254 0 40 DEAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCOCC1 140590176 NUVCOSNLWSBELU-UHFFFAOYSA-N 304.321 2.272 0 40 DEAB CCOC(=O)c1cc(C(=O)OCC)n(Cc2ccccc2F)n1 96530920 NNDPNVWFHNWWJD-UHFFFAOYSA-N 320.320 2.424 0 40 DEAB COc1ccc([C@@H]2[C@@H](CO)[C@H]2S(=O)(=O)c2ccccc2)cc1 242463977 DRJFCBRDSOLEIA-BRWVUGGUSA-N 318.394 2.243 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)C3CCN(C(C)=O)CC3)CC[C@@]2(C)C1 257321756 WDCJIFYHVNNACE-NUJGCVRESA-N 322.449 2.051 0 40 DEAB O=C(c1cnccn1)N1CCO[C@@H](Cc2ccc(Cl)cc2)C1 257210956 BWWLCDWYTCMLMV-AWEZNQCLSA-N 317.776 2.214 0 40 DEAB Cc1cc(O)nc([C@@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257214214 CLCODIUXRVDILH-ZDUSSCGKSA-N 320.780 2.113 0 40 DEAB Oc1cc(CC[C@H]2CN(Cc3ccsc3)CCO2)ncn1 257201895 AJNVWBKFGZOXGF-AWEZNQCLSA-N 305.403 2.077 0 40 DEAB CC[C@H]1CN(C(=O)c2cccn2C)[C@@H](CC)CN1CC(C)(C)O 252536399 ILZSCCLEMIFZQG-GJZGRUSLSA-N 321.465 2.111 0 40 DEAB Cc1ncsc1C(=O)N[C@@H](Cn1nccn1)c1ccccc1 253405502 SNKBRHQTLPHFER-ZDUSSCGKSA-N 313.386 2.214 0 40 DEAB CN(C)c1cc(CC[C@@H]2CN(C(=O)CC3CC3)CCO2)ccn1 257251434 JQSXABOPZFZRHU-MRXNPFEDSA-N 317.433 2.108 0 40 DEAB 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C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCC2)C[C@@H](C)O1 53533995 OMTLNTKTRCOERT-KFWWJZLASA-N 321.421 2.235 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 42734327 FNTDMZWUZHAGKG-LRGSNQRWSA-N 316.401 2.129 0 40 DEAB Cn1cc(CCNC(=O)c2c3c(nc4ccccc24)CCC3)cn1 42716697 PPNVFRJBCCKYTJ-UHFFFAOYSA-N 320.396 2.430 0 40 DEAB Brc1ccc(Cc2nnnn2C[C@@H]2CCCO2)cc1 71907479 BFIDVMKJUOZHKQ-LBPRGKRZSA-N 323.194 2.205 0 40 DEAB Cc1cc([C@H]2CCCN2Cc2cc(=O)n3ccsc3n2)no1 24832656 IQHHWEROCCVWRV-CYBMUJFWSA-N 316.386 2.390 0 40 DEAB NC(=O)[C@H](NCc1cccc(N2CCCC2=O)c1)c1ccccc1 56153600 RHAHNBLWGYEAAZ-GOSISDBHSA-N 323.396 2.130 0 40 DEAB Cc1cc(N)ccc1NC(=O)c1cccc(S(C)(=O)=O)c1 12609366 TVPJTRFAOUIXHT-UHFFFAOYSA-N 304.371 2.233 0 40 DEAB CC(C)Cc1cc(C(=O)N(C)[C@H]2CCN(C)[C@H](C)C2)cc(=O)[nH]1 97045174 BKTHABGTNZLDKY-CJNGLKHVSA-N 319.449 2.128 0 40 DEAB CCc1cc(NS(=O)(=O)c2ccc(F)c(F)c2)nc(C)n1 97048804 OTLWAZLYQLAFBP-UHFFFAOYSA-N 313.329 2.426 0 40 DEAB C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)n1cccc1 97017901 OYYNDUHJAPAFPM-BBRMVZONSA-N 312.369 2.477 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)NCc1ccnn1C 97033246 YRHYZRFBIYOKGU-UHFFFAOYSA-N 310.361 2.236 0 40 DEAB N=C(NCCCNC(=O)c1ccccc1)NCc1ccccc1 58356447 BIPZFLUUKBBVCU-UHFFFAOYSA-N 310.401 2.121 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)COc2ccccc2)cc1 3388626 QJBWWXLAFYIPMK-UHFFFAOYSA-N 313.353 2.233 0 40 DEAB CC(=O)N1C(=O)C(=C2C=C(C)N(CCO)C(C)=C2)c2ccccc21 26770959 QCHXKNMFAKMZCP-UHFFFAOYSA-N 324.380 2.449 0 40 DEAB COc1ccc(C(=O)N[C@H](C)COCC(F)(F)F)c(O)c1 58282431 NTGBMGVKPBVFPE-MRVPVSSYSA-N 307.268 2.098 0 40 DEAB CC(C)(C)c1nnc(Cn2c(-c3ccccc3)noc2=O)o1 58283281 SEELBSHFGHYUDQ-UHFFFAOYSA-N 300.318 2.232 0 40 DEAB CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 110660603 DMZUFSZBMOQWBB-ZUZCIYMTSA-N 316.804 2.357 0 40 DEAB C[C@H](NC(=O)[C@@H](C)S(=O)(=O)c1ccccn1)c1ccccc1 44946932 BFDLSDUBUKGVON-QWHCGFSZSA-N 318.398 2.121 0 40 DEAB CC(C)(C)c1noc(CCC(=O)N[C@@H]2CCN3CCCC[C@H]23)n1 44942101 RNWVXPFHRZWRRU-CHWSQXEVSA-N 320.437 2.043 0 40 DEAB CS(=O)(=O)c1cccc(OCC(=O)c2ccc(F)cc2)c1 36325646 AQPMYMYASNUTTN-UHFFFAOYSA-N 308.330 2.491 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)C[C@H](NC(C)=O)c1cccs1 48325708 WUTHVNKDYYWDBL-KGLIPLIRSA-N 324.446 2.200 0 40 DEAB CN(Cc1nc(N)nc(N(C)C)n1)Cc1cccc2ccccc12 48374582 DWYHCYBFXULHAX-UHFFFAOYSA-N 322.416 2.305 0 40 DEAB CC(C)c1cccc(N2C[C@H](/C(O)=N/S(C)(=O)=O)CC2=O)c1 48486875 SXNDLGUFZRJWIM-GFCCVEGCSA-N 324.402 2.079 0 40 DEAB C[C@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cccs1 8745168 UXIBRHMEVFGFQN-NSHDSACASA-N 313.382 2.335 0 40 DEAB CC[C@H](C)NC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48560580 PIFQLITZMIAOIX-JTQLQIEISA-N 324.812 2.196 0 40 DEAB CC[C@H]1CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1 94061186 ABRFHMYSXHMKHC-GJZGRUSLSA-N 317.437 2.135 0 40 DEAB CCC(CC)(CNC(=O)c1ccnc(Cl)c1)S(C)(=O)=O 96432869 SWTJOFHIYCEOJO-UHFFFAOYSA-N 318.826 2.068 0 40 DEAB Cc1cccc(C)c1OC[C@@H](O)CSc1nnc(N)s1 39985645 JTKLXUVPHOWTPK-SNVBAGLBSA-N 311.432 2.269 0 40 DEAB Cc1cccc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 8937652 CKNWLANUGRYAFB-UHFFFAOYSA-N 308.337 2.486 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1(CO)CCOCC1 65489909 BYLJXGUKLIQYLP-UHFFFAOYSA-N 318.295 2.368 0 40 DEAB Cc1ccnc(NC[C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)c1 65487577 ZSMVISZLWCNVIV-INIZCTEOSA-N 312.417 2.023 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4592796 LXHJRRBSWSQQRM-XWUBHJNHSA-N 317.341 2.159 0 40 DEAB CCCn1c(C)cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c1C 4516760 XRCXNIXWUWFUCL-UHFFFAOYSA-N 305.378 2.028 0 40 DEAB COC(=O)CCCNC(=S)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65710586 YUZRUEAZBJVMAO-VTXSZYRJSA-N 310.463 2.325 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)COc2cccc(F)c2)cc1 6602451 IWWDUUGPQZORKS-UHFFFAOYSA-N 323.345 2.247 0 40 DEAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1O 5771992 DDVXZYOECGFVKS-UHFFFAOYSA-N 304.733 2.301 0 40 DEAB O=C(COC(=O)/C=C/c1cccs1)NC(=O)NC1CCCC1 7006856 BJMHHOWVMMCEKJ-BQYQJAHWSA-N 322.386 2.073 0 40 DEAB CCc1noc(CN(C)C(=O)c2ccnc(OC3CCC3)c2)n1 90041017 PIRAWPHZZRQZKF-UHFFFAOYSA-N 316.361 2.231 0 40 DEAB CC(C)N(CC(N)=O)Cc1ccc(Br)cc1F 7443053 AKTXNMFAPFUVFZ-UHFFFAOYSA-N 303.175 2.284 0 40 DEAB COc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1 15829779 XBNLCEMNUFUDRD-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB CCn1c(C)cc(C(=O)OCC(=O)NCc2ccco2)c1C 7793869 PEJVUGSEICOIHT-UHFFFAOYSA-N 304.346 2.191 0 40 DEAB O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1CCOC1 71847585 DAHYKIWHSPEVKL-MRVPVSSYSA-N 322.258 2.336 0 40 DEAB COCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8296567 GPOPBTPJUJEVEF-UHFFFAOYSA-N 303.387 2.387 0 40 DEAB COc1ccccc1-c1cc(NC(=O)[C@H](C)n2ccnc2)[nH]n1 71856804 GRDDLIHKRJWTBG-NSHDSACASA-N 311.345 2.482 0 40 DEAB CC[C@H](Oc1ccccc1)c1nn2c(=O)c(C)nnc2s1 8400848 HJADTNXECPPUDO-NSHDSACASA-N 302.359 2.385 0 40 DEAB CC[C@H]1CN(CCOc2cccc(C)c2)CCN1CCOC 69840505 DLTYUCVAIJGLDW-KRWDZBQOSA-N 306.450 2.416 0 40 DEAB Nc1nc(N2CCC(Cc3ccccc3)CC2)c2nc[nH]c2n1 9421151 VRBKBRLGIJZBAW-UHFFFAOYSA-N 308.389 2.394 0 40 DEAB COc1ccc(CNC(=O)c2c[nH]c(C(C)C)n2)cc1OC 72283989 JXFILGDYSVKLDU-UHFFFAOYSA-N 303.362 2.480 0 40 DEAB CO[C@@H](C(=O)N1CCC[C@H](c2noc(C)n2)C1)c1ccccc1 72231799 LXKAGIVLZUYBFA-LSDHHAIUSA-N 315.373 2.472 0 40 DEAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCn2ccnc2C1 97201241 JGSPAFFBRONCSM-CQSZACIVSA-N 310.401 2.067 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3nccnc3N)CC2)cc1 95395276 WTTSBYKZCVSKDR-UHFFFAOYSA-N 311.389 2.084 0 40 DEAB O=C(O)c1cc(Nc2nnc(-c3ccccc3)c(O)n2)ccc1O 73647939 UMVZOGYVSCDJCQ-UHFFFAOYSA-N 324.296 2.392 0 40 DEAB C[C@@H](CN(C)C(=O)/C=C/c1c(Cl)nc2ccccn12)C(=O)O 95970477 MJLJUQYLVKWAMC-FGEFZZPRSA-N 321.764 2.180 0 40 DEAB CC1CCN(C[C@@H](O)CNC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 95984154 ZIOPXOPTKGXAEK-XHSDSOJGSA-N 311.470 2.052 0 40 DEAB Cc1nc2ncnn2c(N[C@H]2CCO[C@]3(CCSC3)C2)c1C 89556244 BBILTMQKAPZQBD-SWLSCSKDSA-N 319.434 2.208 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2cnn(-c3ccccc3F)c2)cc1 89821318 GEYURVMKKBJTSL-UHFFFAOYSA-N 324.315 2.363 0 40 DEAB O=C(NCc1ccc(=O)[nH]c1)[C@H]1C[C@]12CCCc1ccccc12 89858211 OFBMCNBTSHBKGQ-APWZRJJASA-N 308.381 2.285 0 40 DEAB CCC(=O)N1C[C@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306127703 GFFSREAEDOQLHP-IRXDYDNUSA-N 323.396 2.306 0 40 DEAB COCCN1CC[C@@H](CNC(=O)Nc2cc(C)ccc2F)C1 68525770 ABZVXFKOANHNPZ-ZDUSSCGKSA-N 309.385 2.224 0 40 DEAB CCCCOc1ccc(/C=C/C(=O)NCCC(=O)O)cc1OC 62715648 JKFIWANMMZCNSX-SOFGYWHQSA-N 321.373 2.478 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306129052 HSOYLFYWTHIVAU-MRXNPFEDSA-N 318.417 2.262 0 40 DEAB COC(=O)/N=c1\[nH]c2ccc([C@@H](O)c3ccc(F)cc3)cc2[nH]1 38482289 GONRXGWUUBPRKF-AWEZNQCLSA-N 315.304 2.384 0 40 DEAB in-vitro O=C(NCc1ccccc1CN1CCCCCC1)c1cnn[nH]1 79034640 CHHHYCDJCRRPQC-UHFFFAOYSA-N 313.405 2.111 0 40 DEAB CC(=O)N1CCC[C@@H](c2csc(Nc3cnccn3)n2)C1 72363480 LRIOZBXWNPSSEB-LLVKDONJSA-N 303.391 2.403 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)c3csnn3)c2c1 79051186 QZFZWTAZOQBVHK-UHFFFAOYSA-N 302.359 2.001 0 40 DEAB O=C(C1CCCCC1)N1CCC[C@H](c2ccnc3ncnn23)C1 72334878 CQVXJONSDPSGPL-AWEZNQCLSA-N 313.405 2.411 0 40 DEAB O=C(O)Cc1nnc2c(-c3nc(-c4ccccc4)no3)cccn12 72221304 FFQFDSXWGFABHL-UHFFFAOYSA-N 321.296 2.073 0 40 DEAB O=C1N(c2ccccc2)C[C@H]2CN(Cc3ccccn3)CCN12 77266507 XCFKINBUOSBRBQ-QGZVFWFLSA-N 308.385 2.208 0 40 DEAB biogenic,in-vitro CNC(=O)CSCc1cccc(C(=O)NCc2ccco2)c1 78555835 BFDIEVPDBPXXPV-UHFFFAOYSA-N 318.398 2.189 0 40 DEAB Cc1ccccc1[C@H](C(=O)O)N1CCC[C@H](n2ccnn2)C1 573975542 WFTDVVGWGWBXSR-DZGCQCFKSA-N 300.362 2.049 0 40 DEAB COc1cccc(O[C@H](C)C(=O)NCCCN2CCCCC2)c1 44840512 GPZJJKLCSAEDTM-OAHLLOKOSA-N 320.433 2.455 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2[C@H]2C[C@H]23)cc1 222055239 IWICKOBLUJZCTL-KLOLGFOXSA-N 313.353 2.403 0 40 DEAB Cc1nc(CNC(=O)NCC2CCc3ccccc3CC2)no1 527776908 DQKQRAGGZLOVMQ-UHFFFAOYSA-N 314.389 2.372 0 40 DEAB O[C@@H](CN1CCN(Cc2ccccc2F)CC1)c1ccco1 85436903 SJKWGPNDPRXNSE-INIZCTEOSA-N 304.365 2.270 0 40 DEAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N(C)C 226277019 YUCQISFQHBKRPX-UHFFFAOYSA-N 304.268 2.430 0 40 DEAB CN(C)CCS[C@@H](C(N)=O)c1cccc(Br)c1 96486231 DMQGQXGCUWWLFO-LLVKDONJSA-N 317.252 2.270 0 40 DEAB c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2nccs2)c1 96042114 YAFBDWBAJGUQPS-OFQRWUPVSA-N 317.414 2.349 0 40 DEAB CC(C)OC[C@@H](O)CN1CCN([C@H](C)c2ccccc2F)CC1 97228761 GLVNZRGYBUMWCB-CVEARBPZSA-N 324.440 2.290 0 40 DEAB O=C(NC1CCC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042988 NEFVUXUCLAAUHF-CWRNSKLLSA-N 320.458 2.396 0 40 DEAB CN(C)C(=O)c1cccc(CCNc2cncc(Cl)n2)c1 96429630 WHKVDAQCNWNUTI-UHFFFAOYSA-N 304.781 2.486 0 40 DEAB CCS(=O)(=O)CCCOc1cc(F)cc(F)c1C(C)=O 95427699 BOJQKRLBPIFVIE-UHFFFAOYSA-N 306.330 2.371 0 40 DEAB C[C@H](c1ccc(Cl)cc1)N1CCN([C@H]2CCOC2=O)CC1 96441560 XEOZATGLLCPSBE-DOMZBBRYSA-N 308.809 2.334 0 40 DEAB CCOCc1ncn2c1CN(C(=O)Nc1ccccc1)CC2 96260155 DTVCAXUXWYPYJP-UHFFFAOYSA-N 300.362 2.467 0 40 DEAB C[C@H](CNC(=O)c1ccc(N(C)C)cc1F)Cn1cccn1 96483605 MNRFMGSLKUQSJY-GFCCVEGCSA-N 304.369 2.154 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2c(C)oc3c2CCCC3)[C@H]1O 257305310 SPJDIQOHCKLKOS-FRFSOERESA-N 321.417 2.467 0 40 DEAB CCn1cc(CN2CCN(C(C)=O)[C@H](c3ccccc3)C2)cn1 257284425 PCQZDIKVGSQBBH-SFHVURJKSA-N 312.417 2.308 0 40 DEAB COc1cc(NC2CCN(c3nnc(C)o3)CC2)cc(OC)c1 252494914 OHVSAZDLZKIUAU-UHFFFAOYSA-N 318.377 2.476 0 40 DEAB C[C@H](COc1ccc(F)cc1)N[C@H]1CCC[C@H]1S(C)(=O)=O 253369452 CTNSFKGWXASQTM-BYCMXARLSA-N 315.410 2.148 0 40 DEAB C[C@@]12CCN(C(=O)c3cnc(C4CC4)nc3)[C@@H]1CC[C@@H](O)C2 257328070 XDZMWSBFPOQWGP-CPUCHLNUSA-N 301.390 2.120 0 40 DEAB Cc1cncc(C2CCN(C(=O)Cc3c(C)n[nH]c3C)CC2)n1 257306428 SUFYNUGNKLHXES-UHFFFAOYSA-N 313.405 2.074 0 40 DEAB Cc1ccc(SC[C@H](C)NC(=O)N[C@H]2CCCNC2=O)cc1 298263174 LQAAEQVNQXYXIX-JSGCOSHPSA-N 321.446 2.053 0 40 DEAB O=C1CC[C@@]2(CCCN(CC3CC3)CC2)N1C[C@@H]1CCCO1 585099890 URGDEMQLYCJNFD-FUHWJXTLSA-N 306.450 2.423 0 40 DEAB Cc1ccc2nc(-c3ccccc3)c(CN3CCNC(=O)C3)n2c1 57273946 LCHFQACMDCUCHW-UHFFFAOYSA-N 320.396 2.242 0 40 DEAB O=C(c1cc2c(F)cccc2[nH]1)N1CC[C@](O)(C(F)(F)F)C1 77990826 OGWNRVNYTIROAU-CYBMUJFWSA-N 316.254 2.446 0 40 DEAB COC(=O)c1s/c(=N\C(=O)NCc2ccccc2)oc1C 13402088 JXNBZVKOWLZTIE-PEZBUJJGSA-N 306.343 2.247 0 40 DEAB Cc1ccccc1CC(=O)OCCN1C(=O)c2ccccc2C1=O 5086762 OKCKXEQZHXIIPB-UHFFFAOYSA-N 323.348 2.377 0 40 DEAB Cc1ccnn1C[C@H](C)C(=O)N[C@H](C)CN1CCCCCC1 19238334 HBOOJLVCAFVFDF-LSDHHAIUSA-N 306.454 2.208 0 40 DEAB CCOC(=O)CC(=O)CSc1nnc(-c2ccccc2)o1 1791870 NEMVOAIAOFFMSX-UHFFFAOYSA-N 306.343 2.351 0 40 DEAB O=C(COc1ccccc1F)N1CCCN(C2CCC2)CC1 827939073 IGONLQJKCYKMRE-UHFFFAOYSA-N 306.381 2.291 0 40 DEAB O=C1COC[C@@]2(CCN(C3CCC3)C2)CN1c1ccccc1 2037985765 VLYKNRYPGZDESU-GOSISDBHSA-N 300.402 2.294 0 40 DEAB Cc1nc(CN2CCN(Cc3ccc(F)cc3F)[C@@H](C)C2)no1 2086934469 HKRHNHVCUIZYAN-NSHDSACASA-N 322.359 2.363 0 40 DEAB COc1ccccc1-c1nnc(NC(=O)c2cc(C)n(C)n2)o1 9001849 VPKLZOWUAGSLMJ-UHFFFAOYSA-N 313.317 2.039 0 40 DEAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)NC(C2CC2)C2CC2)cc1 50028201 XIRKLYBHCSQYRI-UHFFFAOYSA-N 311.385 2.392 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](N2CCC(C(=O)O)CC2)C1 40447959 FKXWVKKGBCLYHB-ZDUSSCGKSA-N 312.410 2.183 0 40 DEAB in-vitro Cc1ccc(-n2nnnc2-c2c[nH]c3ccccc3c2=O)cc1 161337 SRRJAGLZIOVNGV-UHFFFAOYSA-N 303.325 2.479 0 40 DEAB C[C@H](C1CC1)N(C1CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 31656910 MKULNEFWBJUIMB-LLVKDONJSA-N 323.414 2.409 0 40 DEAB CCCn1c(S[C@H](C)c2ccc(C(=O)OC)o2)n[nH]c1=O 40505615 IGQYLIHSECEXKH-MRVPVSSYSA-N 311.363 2.214 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)Nc1nccs1 40554055 ZGZCWYBFCFSRFR-UHFFFAOYSA-N 307.331 2.072 0 40 DEAB COC[C@@H](C)NC(=O)c1nnn(-c2ccc(C)cc2)c1C(C)C 40549725 VUADFNXNVLUQDO-CYBMUJFWSA-N 316.405 2.464 0 40 DEAB O=c1[nH]ncc(N2CCO[C@H](c3ccc(F)cc3)C2)c1Cl 40520065 ILCZQXCHTSZQFQ-LBPRGKRZSA-N 309.728 2.140 0 40 DEAB CSc1ccccc1NC(=O)CCN1CCC(CO)CC1 69631153 CIUNEURYQNDELP-UHFFFAOYSA-N 308.447 2.441 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)NC2CCC(C)CC2)c1 76019976 LJEBPWHSPLWOHK-UHFFFAOYSA-N 317.433 2.467 0 40 DEAB CNS(=O)(=O)CCCN1C[C@H](C)C[C@@H]1c1cccc(F)c1 76089590 PLJONMZHZSNIIQ-IUODEOHRSA-N 314.426 2.148 0 40 DEAB CCc1nncn1CCNC(=O)NCc1c(C)cc(C)cc1C 76086459 NOHIMKZYSJRWRE-UHFFFAOYSA-N 315.421 2.265 0 40 DEAB COc1cccc(CO[C@H](C)C(=O)NCC(C)(C)N(C)C)c1 46744044 XZHYYTNFJMFZAL-CYBMUJFWSA-N 308.422 2.057 0 40 DEAB Cc1ccn2ncc(C(=O)N3CCC[C@H](c4cc(C)[nH]n4)C3)c2n1 78901954 QCCUHCDUHATEDI-ZDUSSCGKSA-N 324.388 2.089 0 40 DEAB Cc1ccccc1NC(=O)C(=O)NCCc1ccc(F)cc1 3043155 OUMIDSRJTUFUSV-UHFFFAOYSA-N 300.333 2.432 0 40 DEAB CC(C)C[C@H](N[C@@H]1CCCSC1)c1nc(-c2nc[nH]n2)no1 97084734 PUWFEZIYYCKXGI-MNOVXSKESA-N 322.438 2.427 0 40 DEAB COc1cc(-c2ccccc2)ccc1[C@@H]1NC(=O)[C@@H]2COCCN21 97080237 OKSIFJDGDXHTII-FUHWJXTLSA-N 324.380 2.191 0 40 DEAB Cc1cc(NC(=O)[C@@H](NC[C@H]2CCOC2)c2ccccc2)no1 42183478 JHMJESNJLWNDPM-CJNGLKHVSA-N 315.373 2.289 0 40 DEAB O=C(Nc1ccccc1)NC1CCN(C2CCOCC2)CC1 59916545 NBFCOEFSXDECON-UHFFFAOYSA-N 303.406 2.452 0 40 DEAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 23386054 MZPMDHBLSNIPNE-UHFFFAOYSA-N 310.309 2.173 0 40 DEAB CCC[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)c1ccccc1 61745036 IAYOFVSLZWVJHF-RDJZCZTQSA-N 303.450 2.280 0 40 DEAB CCOc1ccc([C@H]2SC[C@H]3C(=O)N(C)C(=S)N32)cc1 1443755 ILESYISZDVEFBQ-WCQYABFASA-N 308.428 2.258 0 40 DEAB O=S(=O)(c1ccc(Br)cc1)c1cnns1 3125336 PYCLKXZDEIVVKA-UHFFFAOYSA-N 305.178 2.133 0 40 DEAB Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c(C)o1 25325268 MOGILYJRRLENAT-UHFFFAOYSA-N 314.389 2.296 0 40 DEAB COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C(C)C)CC3 25452164 IKYPHSUYJMAJPO-UHFFFAOYSA-N 300.358 2.495 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccco1)c1ccco1 25462898 VBKBLTVROMZGAU-VXGBXAGGSA-N 302.330 2.355 0 40 DEAB COc1cn(-c2ccccc2)nc1C(=O)NCc1cccnc1 25706041 URXAJGRGIVONDH-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CC(C)(C)C1CCC(C(=O)NCC2(C(N)=O)CCOCC2)CC1 47930988 LNBWGWDIYLMSFE-UHFFFAOYSA-N 324.465 2.237 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)N1CCc2sccc2C1 57878861 SKSMXIRAIHKYSW-LBPRGKRZSA-N 318.446 2.484 0 40 DEAB O=C(c1c[nH]nc1C1CCCCC1)N1CCC2(CC1)OCCO2 57828459 CFZGVQMUQCRWPD-UHFFFAOYSA-N 319.405 2.437 0 40 DEAB COc1cc(/C=C/C(=O)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1 23199806 BTGHBNDZIUHWRA-JARXHUJSSA-N 305.374 2.353 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCOCC2)nc1 27601886 XITMWNOIGFUWJS-DZGCQCFKSA-N 303.406 2.227 0 40 DEAB COc1nc(C(=O)NCCCn2ccnc2)cc2ccccc12 58265778 DBTBIQFGWHRLEZ-UHFFFAOYSA-N 310.357 2.260 0 40 DEAB CN(C)c1ccc(NC(=O)N(C[C@@H]2CCOC2)C2CC2)cn1 48235348 LGCMBUPDFMCPFV-LBPRGKRZSA-N 304.394 2.180 0 40 DEAB C[C@H]1NC(=O)N(C[C@@H](c2cccc(Cl)c2)N2CCCC2)C1=O 48278840 GOILWCPFVKQDID-RISCZKNCSA-N 321.808 2.417 0 40 DEAB Cc1csc(CCNC(=O)CN(C)Cc2ccccc2)n1 58357194 WHNIAJTZBNJISP-UHFFFAOYSA-N 303.431 2.242 0 40 DEAB C[C@@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)[C@H](C)CO1 45448495 APOVPWZHAJKQDL-GHMZBOCLSA-N 321.402 2.367 0 40 DEAB COc1ccc(CCNC(=O)CSc2nnc(C)s2)cc1 3389264 GZRFCPGLCOWMME-UHFFFAOYSA-N 323.443 2.306 0 40 DEAB C[C@@H](C(=O)N1C[C@@H](C)O[C@H](C)C1)N1CCc2ccccc2C1 3327891 WHAKKPAKTZULNF-KFWWJZLASA-N 302.418 2.069 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cnn(C)c2C2CC2)C1 69952102 BNRXTWKHVWMWML-CQSZACIVSA-N 313.405 2.280 0 40 DEAB CC(C)Cc1cc(CNC[C@]2(O)CCCN3CCCC[C@@H]32)no1 63845688 XMGMTCUVPOKNGC-QZTJIDSGSA-N 321.465 2.342 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)Nc3cccc(F)c3)n2)cc1 5491789 RHZNGCPRROFXKO-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C=O)cc1 5505965 AGPOJKCCRFLKAD-OAHLLOKOSA-N 303.358 2.447 0 40 DEAB O=C(Cc1ccsc1)OCC(=O)N1CCc2ccccc2C1 4863536 FTVYLTRGILJDLB-UHFFFAOYSA-N 315.394 2.419 0 40 DEAB Cc1occc1C(=O)OCC(=O)N[C@@H]1CCOc2ccccc21 19355705 IGWZZOBMDUTIQD-CQSZACIVSA-N 315.325 2.385 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)Cn2ccccc2=O)n1 72273741 HKKINVWLCRIRDX-ZDUSSCGKSA-N 317.414 2.367 0 40 DEAB CCO[C@@H]1CCCN(C(=O)Nc2ccc(-n3nccn3)cc2)C1 67567432 NAUQUPQIBBYQMP-OAHLLOKOSA-N 315.377 2.300 0 40 DEAB Cn1ccc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1=O 76918447 KXXVUPDSJSLPQF-UONOGXRCSA-N 302.761 2.325 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21 7920613 GFWKHQCKWFCIKZ-WFASDCNBSA-N 307.415 2.005 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 8014667 ZZBKJYNGDOZNOM-SECBINFHSA-N 301.302 2.263 0 40 DEAB Cc1cc(NC(=O)CN2CCCC2=O)ccc1Br 8076764 XKPUFZYCVWQEIZ-UHFFFAOYSA-N 311.179 2.318 0 40 DEAB Cn1cc(C(=O)NCc2nnc3ccccn23)c2ccccc21 8169814 PTXZIVOJPOTICS-UHFFFAOYSA-N 305.341 2.151 0 40 DEAB O=C1CC[C@]2(C(=O)N[C@@H]3CCCc4ccccc43)SCCN12 8262945 MFZMNDYWKNBHFI-RHSMWYFYSA-N 316.426 2.246 0 40 DEAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cn1 9314283 PTQHLVVJZUSZAK-LLVKDONJSA-N 314.341 2.352 0 40 DEAB Cc1cccc(C(=O)NCCC(=O)NCCc2ccccc2)c1 9300187 GQSPXDIMQARBSB-UHFFFAOYSA-N 310.397 2.474 0 40 DEAB COc1ccccc1CCNC(=O)CN1CCc2ccccc21 9368468 JGDCZHXBOINKAU-UHFFFAOYSA-N 310.397 2.417 0 40 DEAB COC(=O)[C@@H](NC(=O)COc1ccccc1F)c1ccccc1 69587932 IQZACYISCJDDDB-INIZCTEOSA-N 317.316 2.235 0 40 DEAB Cc1ccc(NC(=O)[C@@H](NC(=O)C2CCNCC2)C(C)C)cc1 9575889 BSPGUBABZMLWFX-INIZCTEOSA-N 317.433 2.074 0 40 DEAB CS(=O)(=O)CCNC(=O)N1CC2(CCCC2)c2ccccc21 83718523 FFWVEYPBFADWSC-UHFFFAOYSA-N 322.430 2.073 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)COCC2CC2)n1 72279958 SPHQRYPFPSAXOT-MRXNPFEDSA-N 305.422 2.308 0 40 DEAB Cc1ccccc1-c1nnnn1Cc1ccc2c(c1)OCCO2 84247733 TXNGEUIRLKCOLD-UHFFFAOYSA-N 308.341 2.468 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccccc1F)c1ccnc(Cl)c1 72303102 DIGLLTKQLWSEAC-NSHDSACASA-N 322.767 2.455 0 40 DEAB O=C(CCC(=O)N1CCc2[nH]ncc2C1)c1ccc(F)c(F)c1 84340842 GKNSWHADQDUCBI-UHFFFAOYSA-N 319.311 2.236 0 40 DEAB C[C@]1(CO)CCC[C@@H]1NS(=O)(=O)c1cccc2cnccc12 95442316 QDQBXZYNNCISRL-JKSUJKDBSA-N 320.414 2.064 0 40 DEAB CS(=O)(=O)c1ccc(F)c(C(=O)NCCC2=CCCC2)c1 95435470 CNUNLXUWVLZIBQ-UHFFFAOYSA-N 311.378 2.459 0 40 DEAB CCOC(=O)[C@H](C(C)C)N1CCC[C@H](CNC(=O)C(C)C)C1 95996053 PTGKAAZKMIHJFE-CABCVRRESA-N 312.454 2.058 0 40 DEAB CC(C)(C)c1ncc(NC(=O)NCc2nncn2C2CC2)cn1 85577418 ZFXXENIEUHAFOM-UHFFFAOYSA-N 315.381 2.022 0 40 DEAB CC(C)C1CCN(C(=O)NCCCCN2CCN(C)CC2)CC1 74345108 FCDDRDFTVYDTJI-UHFFFAOYSA-N 324.513 2.092 0 40 DEAB O=C(NCc1csc(=O)[nH]1)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 89508359 BGYNDXXWZNNTRZ-ZJUUUORDSA-N 310.325 2.135 0 40 DEAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)NC[C@H](O)COCC1CC1 89689279 JAEUQBWNVCUZCK-BHYGNILZSA-N 303.402 2.002 0 40 DEAB Cc1ccccc1CN1CCN(c2ccnc(N(C)C)n2)CC1 353743433 XGRGWZHGPAECNC-UHFFFAOYSA-N 311.433 2.173 0 40 DEAB Nn1c(SC[C@H]2CCCCO2)nnc1-c1ccccc1F 22132700 QIVZASIFSFWXBM-SNVBAGLBSA-N 308.382 2.459 0 40 DEAB CCCCN1C(=O)[C@@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524729057 AXKYNGSDACXUOZ-DXCKQFNASA-N 302.374 2.013 0 40 DEAB biogenic O=C1CCCN1c1ccc(NS(=O)(=O)c2cccnc2)cc1 38677610 UMWPHGKJMDEMDO-UHFFFAOYSA-N 317.370 2.009 0 40 DEAB O=C(O)c1cccc(CN2CCN[C@@H](Cc3ccccc3)C2)c1 39952326 KODJLNIVKVQJSR-SFHVURJKSA-N 310.397 2.401 0 40 DEAB CCCc1nn2c(=O)c3ccc(C(=O)OC)cc3nc2s1 71328566 OOFGGLGZOKGLIA-UHFFFAOYSA-N 303.343 2.043 0 40 DEAB CCc1cc(S(=O)(=O)NCc2ccccn2)ccc1OC 74935012 UYARUXLPWMELEY-UHFFFAOYSA-N 306.387 2.131 0 40 DEAB NC(=O)COc1ccccc1C(=O)NCc1ccc(Cl)cc1 32836050 AMUDBPMZENNINO-UHFFFAOYSA-N 318.760 2.134 0 40 DEAB NC(=O)CN1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72363327 LNAAONJPAIBCNK-MRXNPFEDSA-N 309.413 2.337 0 40 DEAB CN(Cc1nc2ccccc2n1C)S(=O)(=O)c1cccs1 78552097 VPAQEZOEGHALAH-UHFFFAOYSA-N 321.427 2.456 0 40 DEAB C[C@H]1CN(C(=O)c2cccc3nc(O)oc23)CC2(CCC2)O1 565027369 PKXOXZYTPREFNQ-JTQLQIEISA-N 302.330 2.317 0 40 DEAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2cnccn2)cs1 80819421 CPORFXHTVFEAJY-JTQLQIEISA-N 306.391 2.303 0 40 DEAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1cnccn1 137257673 ZIZLFOWHCRGZBM-UHFFFAOYSA-N 317.292 2.437 0 40 DEAB NC[C@@H](O)CC[C@@H](O)CN(c1ccccc1)c1ccccc1 198547711 JPKZYZOUEXZWCA-ZWKOTPCHSA-N 300.402 2.285 0 40 DEAB O=C(CCC(=O)NC[C@H]1CCCO1)NCCC1=CCCCC1 199428383 VECYYZLNRWGMRS-OAHLLOKOSA-N 308.422 2.069 0 40 DEAB CCn1cc([C@@H]2CN(Cc3ccc(O)c(OC)c3)CCO2)cn1 195003010 IYQGEWASAGHIGS-KRWDZBQOSA-N 317.389 2.191 0 40 DEAB Cc1cc(C(=O)NC[C@@](C)(Cc2ccccc2)[C@H](C)O)on1 192056436 KRAAYUQRHDGVCK-SUMWQHHRSA-N 302.374 2.343 0 40 DEAB Cc1cnc(N2CC[C@@]3(CCCN(c4ccc(C)nn4)C3)C2)nc1 96217006 HKVRWURLTSMUKJ-GOSISDBHSA-N 324.432 2.380 0 40 DEAB CN(C)c1ccc(C(=O)N[C@@H](CO)Cc2ccccc2)c(F)c1 95452607 STUCMLZZFZNREX-CQSZACIVSA-N 316.376 2.225 0 40 DEAB CN1Cc2ccccc2CC2(CCN(c3ncccn3)CC2)C1=O 96161301 ASWPBNZKEZLHGY-UHFFFAOYSA-N 322.412 2.278 0 40 DEAB CSCC[C@H](C)NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 96420550 LHGDDDBXJRKAPF-GOEBONIOSA-N 322.474 2.145 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)CCc2nc(C)no2)C12CCCC2 96432530 WLQSHEOKHKQOQC-CHWSQXEVSA-N 307.394 2.165 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(c1cc(C)nc(C3CC3)n1)CC2 95400789 CRPGFQPDMVWCKV-HUUCEWRRSA-N 317.433 2.419 0 40 DEAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)NCC[S@](C)=O 96408823 MHWMUADDONGWCW-MCMMXHMISA-N 318.442 2.449 0 40 DEAB CCOCc1ncn2c1CN(C(=O)Cc1cccc(F)c1)CC2 96260145 BVCKRYOJWUGNOH-UHFFFAOYSA-N 317.364 2.144 0 40 DEAB c1csc(CN2CCn3cc(CN4CCCCC4)nc3C2)n1 96197255 WIFIVYWIVVQFNA-UHFFFAOYSA-N 317.462 2.341 0 40 DEAB COCCC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1 96224500 OFCOZGVZNNMUPR-SFHVURJKSA-N 316.401 2.069 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)CCO1 245305054 HWXXEQYWRFCYFF-KKUMJFAQSA-N 324.808 2.253 0 40 DEAB c1csc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)c1 247842188 QLXRUOUXTRJDBH-ZDUSSCGKSA-N 317.414 2.351 0 40 DEAB Cn1ccc2ccnc(CC3CN(C(=O)c4cncs4)C3)c21 257219351 DGMRBVIUGKELJH-UHFFFAOYSA-N 312.398 2.345 0 40 DEAB O=C(CCn1ncc2ccccc21)N1CC[C@H](c2ccn[nH]2)C1 257271940 NAKJSVPDRBNCLW-AWEZNQCLSA-N 309.373 2.166 0 40 DEAB Cn1cnc(CNC(=O)c2ccc(Cc3ccccc3)nc2)c1 257213561 CIBXHWYTVIBSOI-UHFFFAOYSA-N 306.369 2.336 0 40 DEAB Cc1ocnc1C(=O)N1CCCC[C@H]1c1ccn2nccc2n1 257305018 SOCLWPSEMDCPLV-ZDUSSCGKSA-N 311.345 2.393 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCC1(F)F 291068777 YMHQDHAIDAZQTE-LLVKDONJSA-N 306.316 2.385 0 40 DEAB COc1ncnc2c1CCN(C(=O)C1CCC(C)CC1)CC2 585110487 IIIHJUTVEGNETA-UHFFFAOYSA-N 303.406 2.239 0 40 DEAB CC(C)Cn1c(N)c(-c2csc(C(C)C)n2)c(=O)n(C)c1=O 55049974 MFLIDROQKDMSMQ-UHFFFAOYSA-N 322.434 2.032 0 40 DEAB O=C(O)[C@@H]1CCN(Cc2ccc(Br)cc2F)C1 62134415 UGLMLWNIXKSXAZ-SECBINFHSA-N 302.143 2.495 0 40 DEAB O=C(C1CCOCC1)N1CCC(c2n[nH]c3ncccc23)CC1 12670362 HWRAMXNVSGBLDB-UHFFFAOYSA-N 314.389 2.091 0 40 DEAB Cc1nc2ccc(NC(=O)[C@@H](NC(N)=O)C(C)C)cc2s1 14093652 UXHXEOVYZYDZAD-LBPRGKRZSA-N 306.391 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2.224 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)c1 32217334 MOOJXYZLZRZJGE-ZDUSSCGKSA-N 311.403 2.321 0 40 DEAB COC[C@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 21187894 CEFQPSLJACREJT-JTQLQIEISA-N 305.353 2.393 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cn2)n1 32633724 NUMDJCIFDZCIBU-KBPBESRZSA-N 314.389 2.134 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)n1C 21328458 KNFNMEYAQDZXDV-CQSZACIVSA-N 315.348 2.215 0 40 DEAB Cc1cnn(C2CN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)C2)c1 69661453 QNRQDTNRUQDNPO-LBPRGKRZSA-N 309.373 2.046 0 40 DEAB O[C@@H](CNc1nccc(-n2cccn2)n1)c1ccc(F)c(F)c1 69669351 UNZFABYKVBXSCE-ZDUSSCGKSA-N 317.299 2.086 0 40 DEAB Cc1nc(SCC(=O)Nc2ccccn2)nc2c1CCC2 582933 HWVBKOQDGDXARE-UHFFFAOYSA-N 300.387 2.400 0 40 DEAB Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)oc2ccc(Cl)cc12 41127789 XTYQUAYTCJFHHJ-SECBINFHSA-N 306.749 2.342 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)NCCc1cccc(Cl)c1 32826278 WOUXZPZKGZSSGA-NSHDSACASA-N 311.813 2.096 0 40 DEAB 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40 DEAB Cc1ccccc1-c1noc([C@@H]2CCCN(S(C)(=O)=O)C2)n1 113729833 VLTVALGUQUNEAP-GFCCVEGCSA-N 321.402 2.184 0 40 DEAB COC(=O)c1ccoc1COC(=O)c1ccc2cn[nH]c2c1 25791677 NUGMYHYEOYCRTK-UHFFFAOYSA-N 300.270 2.300 0 40 DEAB CC(C)[C@H]1CCCC[C@H]1NC(=O)N[C@H](C)CCS(C)(=O)=O 107522925 RNBVDYCUAVHNSX-MGPQQGTHSA-N 318.483 2.324 0 40 DEAB C[C@H]1CN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@H](C)O1 43993090 GODSFJDGXIKGQL-RYUDHWBXSA-N 305.378 2.030 0 40 DEAB O=C(OCC(=O)N1CCCC1)c1ccc(OC(F)(F)F)cc1 3238587 AKTAFFRLOAGMAU-UHFFFAOYSA-N 317.263 2.364 0 40 DEAB Cc1ccc([C@H](C)NC(=O)NCCN2CCCCCC2=O)o1 48061657 FHQOXOVENOFHRF-ZDUSSCGKSA-N 307.394 2.351 0 40 DEAB Cc1ccc(CN(C)C(=O)NCC(C)(C)S(C)(=O)=O)s1 84205432 SVWABYZSLDRNIO-UHFFFAOYSA-N 318.464 2.021 0 40 DEAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1ccccn1 96431469 ZVNGLXMSVWRSMG-UHFFFAOYSA-N 310.332 2.379 0 40 DEAB Cc1[nH]c(C(=O)Nc2ccn(C)n2)c(C)c1C(=O)OC(C)C 44891540 DSELGNJOPONRQZ-UHFFFAOYSA-N 304.350 2.183 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(c2nccs2)CC1 44894420 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COc1cccc(CN[C@@]2(CO)COc3ccccc3C2)c1F 527770440 WKCZKQRQLRBXEB-SFHVURJKSA-N 317.360 2.290 0 40 DEAB CC(=O)N1CCC[C@@H](c2cnc(Nc3nccs3)cn2)C1 72361741 JBPICFLDBPDOLM-LLVKDONJSA-N 303.391 2.403 0 40 DEAB Cc1ncn(-c2c(Br)cncc2Br)n1 2362803628 RKWPZLQIBLOLGW-UHFFFAOYSA-N 317.972 2.496 0 40 DEAB COC[C@@H](NCC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc(C)o1 184757894 ZWGYBQDBANMEHY-VNHYZAJKSA-N 308.422 2.370 0 40 DEAB CC(C)N(CCO)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79391697 IWNADRRBQYAASW-MRXNPFEDSA-N 306.406 2.100 0 40 DEAB CCCCc1nnc(SCc2nnsc2Cl)n1N 79013822 VCVHMNZJKYQWBZ-UHFFFAOYSA-N 304.832 2.132 0 40 DEAB C[C@@H]1CC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)[C@H](C)C1 79098740 VWGQAXYPXNCAHS-UPJWGTAASA-N 318.483 2.324 0 40 DEAB COC[C@H](C)n1ccc(NC(=O)N[C@H](C)c2ccccn2)n1 189930392 SRJONSMXACOHAI-NWDGAFQWSA-N 303.366 2.368 0 40 DEAB Cn1ccnc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 75052988 MEJPWYXWMAXXSL-UHFFFAOYSA-N 311.311 2.161 0 40 DEAB CC(=O)NCCCNC(=O)Nc1ccccc1Br 48332570 YRYXATIDTABOPA-UHFFFAOYSA-N 314.183 2.097 0 40 DEAB Cc1nc(NC(=O)CCc2cnn(C)c2)ccc1Br 80721355 JAZXNOIHPBOXMF-UHFFFAOYSA-N 323.194 2.457 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCN(C(=O)c3cccc(O)c3)C2)C1 96072117 LZTCDMOAWXECDR-GUYCJALGSA-N 305.374 2.050 0 40 DEAB CC1(C)CC[C@@H](NC(=O)N2CCO[C@@H](CO)C2)c2ccccc21 96456348 PXRYIVCJGYDMJD-CZUORRHYSA-N 318.417 2.202 0 40 DEAB CCOCCn1c(=O)c2c(C(F)(F)F)cc(C)nc2n1C 96501081 ZKGITHSQWQEFGD-UHFFFAOYSA-N 303.284 2.099 0 40 DEAB O=C(c1cscn1)N1CCC2(CN(CC3CCCC3)C2)C1 96070758 JOMKYQRASBKBRR-UHFFFAOYSA-N 305.447 2.481 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1 96073397 BTOMXNMLRVHEDM-KSSFIOAISA-N 319.401 2.440 0 40 DEAB CCOCc1ncn2c1CN(C(=O)c1sccc1C)CC2 96085154 CIZQUGKVQDPVIT-UHFFFAOYSA-N 305.403 2.446 0 40 DEAB CC[C@@H](C(=O)NCc1cn(C)nc1-c1ccccc1)N(C)C 96501419 WIIMFSAWQXNTGA-HNNXBMFYSA-N 300.406 2.044 0 40 DEAB COC[C@]12COC[C@H]1CN(C(=O)c1oc3ccccc3c1C)C2 96108652 WSPGCVWYMQGMIH-FZKQIMNGSA-N 315.369 2.476 0 40 DEAB O=C(NC[C@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@@H]12)C1CC1 96187322 VMKDMTGNZRCFDV-KZNAEPCWSA-N 314.429 2.050 0 40 DEAB CC(=O)N1CCN(C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)CC1 97376586 GYMKSWWRZSKHHX-LLVKDONJSA-N 323.359 2.227 0 40 DEAB Cc1cccnc1[C@@H](N[C@H](C)C(=O)NC[C@@H]1CCCO1)C(C)C 96424388 HAYMZDQLXWFTIF-PMPSAXMXSA-N 319.449 2.360 0 40 DEAB Cc1noc(C)c1-c1ccnc(C2CCN(C(=O)CN)CC2)c1 257251932 JSWMNSAXKJWTTP-UHFFFAOYSA-N 314.389 2.018 0 40 DEAB Cc1cn[nH]c1C[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 257219514 DHBHGWSNVQVDKC-AWEZNQCLSA-N 319.430 2.362 0 40 DEAB CCC[C@@H]1CN([C@H]2Cc3ccccc3[C@H]2O)CCN1CCOC 253370836 WXOALGWQKANFHY-NZSAHSFTSA-N 318.461 2.077 0 40 DEAB COc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc(C)c[nH]2)cc1 257282225 OSYNWOHJTIWSRR-AWEZNQCLSA-N 321.402 2.253 0 40 DEAB CCC(=O)N1CCC(C)(c2ncc(C(=O)N(C)C)s2)CC1 257222682 DUIBSNTYPJJEPX-UHFFFAOYSA-N 309.435 2.135 0 40 DEAB CCNC(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 43680426 WENPKWHGNFIMIN-RYUDHWBXSA-N 305.378 2.077 0 40 DEAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](n2nccn2)C1 253471162 BISIQUVIYHTKJX-GFCCVEGCSA-N 310.279 2.384 0 40 DEAB Cc1ccnc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 257260068 LBETVKRBKAEQEZ-CQSZACIVSA-N 317.414 2.379 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc3c(c2)OCCO3)C1 257327051 WZRRQQREAONGJK-ZDUSSCGKSA-N 313.357 2.119 0 40 DEAB COc1ccccc1[C@H]1CN(Cc2ccnc(C)n2)CCN1C 257335468 YKGHLTJHQWFFQK-QGZVFWFLSA-N 312.417 2.282 0 40 DEAB Cc1ccc2nc(C(=O)N3CC[C@@H](c4nc(C)cn4C)C3)cn2c1 257329976 XMFYILJBGFZRAC-CQSZACIVSA-N 323.400 2.314 0 40 DEAB CC(=O)N1CCN(C(=O)c2ncccc2C)C[C@@H]1c1ccccc1 257214245 CLFDTLADQQSXSU-QGZVFWFLSA-N 323.396 2.436 0 40 DEAB Cc1nc(CN2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)no1 257290251 QCEBRHRETSNPCC-VHDGCEQUSA-N 300.362 2.062 0 40 DEAB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cc2ccco2)C1 575422298 UOTZVLUMPRSDNT-OAHLLOKOSA-N 305.399 2.469 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575405235 XOSBXQHZMRDLNF-GRYCIOLGSA-N 322.405 2.342 0 40 DEAB NC[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 61884058 XNOMNOLMVNIDFN-ONGXEEELSA-N 322.352 2.111 0 40 DEAB Cc1ccc(F)c(N2CCC[C@H](NC(=O)c3ccc[nH]3)C2=O)c1 96409541 QFUHCPJKECSXSJ-AWEZNQCLSA-N 315.348 2.388 0 40 DEAB CSC[C@@](C)(O)CN[C@H]1CCCN(Cc2ccccc2)C1 96478070 UYYDVFOUAAFZAJ-IRXDYDNUSA-N 308.491 2.355 0 40 DEAB O=C(O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(Cl)o1 532673249 MTTGXOSHTQAULI-VIFPVBQESA-N 301.726 2.029 0 40 DEAB CC(C)n1c(=O)c2c3c(sc2n(C)c1=O)COC(C)(C)C3 5274480 SHOSTAKGOTYZGH-UHFFFAOYSA-N 308.403 2.194 0 40 DEAB COc1ccc2ncc(NC(=O)NCc3ccco3)c(O)c2n1 12222673 OJMNSQGXGNUVFY-UHFFFAOYSA-N 314.301 2.259 0 40 DEAB COc1ccc([C@H]2Nc3ncnn3[C@H](c3ccccc3)[C@@H]2N)cc1 15830348 IWWSVINQONJVDG-BRWVUGGUSA-N 321.384 2.370 0 40 DEAB CC(C)(C)NC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 6087668 NPVOZNDWSSDUSZ-UHFFFAOYSA-N 319.430 2.252 0 40 DEAB COc1ccc2c(c1)CCC[C@]2(O)CNc1ncc(F)cn1 1776000710 GXJYMEYKZIEEHD-INIZCTEOSA-N 303.337 2.260 0 40 DEAB CCOCC(=O)N1CCC[C@](COc2ccccc2)(OC)C1 2037916006 GSAJEKQTCPAXDR-KRWDZBQOSA-N 307.390 2.110 0 40 DEAB COc1ccc(CNC(=O)COc2ccc3c(c2)OCO3)cc1 6128815 BWXXUXZQBGIMSV-UHFFFAOYSA-N 315.325 2.119 0 40 DEAB NC[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 50245672 SXQGQZDNEUYUAN-MRVPVSSYSA-N 301.159 2.009 0 40 DEAB O=C1[C@@H]2[C@@H](N=NN2c2cccc(F)c2)C(=O)N1c1ccccc1 101277650 YPESBVNUZLGZEQ-KGLIPLIRSA-N 310.288 2.324 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@H]1c1ccccc1 20744870 VCYBCQMLRFRPAX-DGCLKSJQSA-N 301.371 2.301 0 40 DEAB CN(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 32780828 PEZKVKCGDVUYAX-FUHWJXTLSA-N 310.397 2.409 0 40 DEAB CN(Cc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 32771842 TXCOOUOETOKWAE-QGZVFWFLSA-N 308.381 2.446 0 40 DEAB COCCOCC(=O)Nc1cccc(NC(=O)C(C)(C)C)c1 37150223 LCWPVWFQKNJYRC-UHFFFAOYSA-N 308.378 2.273 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@H](C)[C@@H](N(C)C)C1 78895619 DOOLRUOYGMIHBE-DYVFJYSZSA-N 320.481 2.107 0 40 DEAB CO[C@@H](CNC(=O)c1cnn(C)c1C)c1cccc(Cl)c1 78934458 OHEHXUIZQSMEQW-AWEZNQCLSA-N 307.781 2.499 0 40 DEAB Cc1nc([C@H](C)NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cs1 72271590 SBYJXELIZNIEQY-IUCAKERBSA-N 312.439 2.115 0 40 DEAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(-n2cnnn2)cc1 6890486 HWUULRRFYXHWLG-KRWDZBQOSA-N 319.368 2.470 0 40 DEAB Cc1cccc2nc(CSc3nnc(N)n3C3CC3)cn12 72276896 APCCAGMAIAWFCF-UHFFFAOYSA-N 300.391 2.444 0 40 DEAB COc1ccc(S[C@@H](C)C(=O)NC2CCN(C)CC2)cc1 54148159 RWYUNSMVKYSZII-LBPRGKRZSA-N 308.447 2.386 0 40 DEAB Cc1cc(C)n2ncc(C(=O)NCCc3csc(C)n3)c2n1 23043609 KSFAFSGQKDGCBU-UHFFFAOYSA-N 315.402 2.084 0 40 DEAB O=C(C[C@@H]1CCCO1)NCc1cccc(C(=O)N2CCCC2)c1 47165577 JMTWUUNPWOFFKH-INIZCTEOSA-N 316.401 2.108 0 40 DEAB O=C(C1CCC1)N1[C@@H]2CC[C@@H]1Cn1c(nc3ccccc3c1=O)C2 100119176 ALUXPPQYOQGOHT-ZIAGYGMSSA-N 323.396 2.112 0 40 DEAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)Cn2ccnc2)s1 42535617 DBLCODPKRRKYKH-LLVKDONJSA-N 305.403 2.421 0 40 DEAB CC(=O)N[C@H](CC(=O)Nc1cnn(C)c1)c1ccc(Cl)cc1 42054580 PXENUINGIMSTCF-CQSZACIVSA-N 320.780 2.280 0 40 DEAB Cc1noc([C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 54679447 MPRBFRABIBWHSY-AWEZNQCLSA-N 321.402 2.087 0 40 DEAB Cc1nc2ccc(N[C@@H](C)C(=O)NC(=O)NC3CC3)cc2s1 12515590 QWKYHHBCWMHENJ-QMMMGPOBSA-N 318.402 2.393 0 40 DEAB COc1ccc(Br)cc1NC(=O)/C=C\C(=O)O 103356961 UIHKXOPJMUVDIW-PLNGDYQASA-N 300.108 2.037 0 40 DEAB C[C@H](O)CN(Cc1ccccc1)C(=O)Cn1ncc2ccccc21 72295008 GMZBKAAIFZHVBR-HNNXBMFYSA-N 323.396 2.446 0 40 DEAB COc1cc2nc(NC(=O)[C@@H]3CCCO3)sc2cc1OC 10252153 LZCFBFFKONCIJC-VIFPVBQESA-N 308.359 2.431 0 40 DEAB COCCN(Cc1nc(=O)c2ccccc2[nH]1)[C@@H](C)C1CC1 58229098 QOLWQDFMICZTBF-LBPRGKRZSA-N 301.390 2.170 0 40 DEAB COC(=O)c1ncn(CN(C)Cc2ccc(C(C)(C)C)cc2)n1 58430865 VVFJBKAUXATGKQ-UHFFFAOYSA-N 316.405 2.452 0 40 DEAB O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1ccc2c(c1)OCCO2 62001557 AAOCWUAGGVVIAJ-PKOBYXMFSA-N 322.364 2.382 0 40 DEAB biogenic O=C(CS(=O)(=O)c1ccc(Cl)s1)NCc1ccco1 11666484 GFLMBYMUKRUGMG-UHFFFAOYSA-N 319.791 2.085 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3436853 FXCRQLKMXCWRBQ-YPMHNXCESA-N 319.357 2.267 0 40 DEAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)S(C)(=O)=O 69514874 TZVMBFYVYZFZGZ-QWHCGFSZSA-N 319.426 2.320 0 40 DEAB Cc1cn2nc(NCCCN(C)CC(F)(F)F)sc2n1 48560035 MSIVLBUXQRIZMT-UHFFFAOYSA-N 307.345 2.395 0 40 DEAB C[C@@H](O)CN1CCN(Cc2csc(Br)c2)CC1 69652523 BEZSLHKYOAWZFR-SNVBAGLBSA-N 319.268 2.009 0 40 DEAB O=C(CCN1C(=O)COc2ccccc21)Nc1ccccc1O 13001078 UWFVLHSLXONWSM-UHFFFAOYSA-N 312.325 2.146 0 40 DEAB COc1ccc(OCC(=O)N(C(C)C)C(C)C)c(C(=O)O)c1 13086780 HESXNTXATWRBSG-UHFFFAOYSA-N 309.362 2.418 0 40 DEAB COc1ccc2c(c1)cc(C(=O)N[C@H](C(=O)O)C(C)C)n2C 4000444 KBXOEDZMWWNJPZ-AWEZNQCLSA-N 304.346 2.026 0 40 DEAB biogenic O=C(NC(C1CC1)C1CC1)c1ccc2c(=O)[nH]c(S)nc2c1 63809529 HWBITMFQKZUZHB-UHFFFAOYSA-N 315.398 2.130 0 40 DEAB C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)NC(N)=O 8707668 GFQMSDKNXPXMFO-QMMMGPOBSA-N 324.793 2.201 0 40 DEAB CC[C@@H]1CN(CCOc2cccc(C)c2)CCN1CCOC 69840503 DLTYUCVAIJGLDW-QGZVFWFLSA-N 306.450 2.416 0 40 DEAB CN(CCOc1ccccc1F)[C@@H](C(N)=O)c1ccccc1 14079331 RRJVSASXYXQCAP-MRXNPFEDSA-N 302.349 2.363 0 40 DEAB CCc1nnc(NC(=O)c2cc(Br)cn2C)s1 14016819 VMICPRYQPSWWTF-UHFFFAOYSA-N 315.196 2.454 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306132430 LIMWXHNJBCCSGN-CQSZACIVSA-N 304.390 2.124 0 40 DEAB COc1ccc(CCNC(=O)C(=O)NC2CCC(C)CC2)cc1 408710240 UHCIUSYTWBBKNW-UHFFFAOYSA-N 318.417 2.049 0 40 DEAB COC(=O)[C@H]1C[C@@H](NC(=O)c2cccc(F)n2)c2ccccc21 96010937 XPFZGNKBVLJKRO-GXTWGEPZSA-N 314.316 2.352 0 40 DEAB COc1cc(NC(=O)c2ccccc2O)c(C(=O)O)cc1OC 8855811 DAZNIWLAAZKQLZ-UHFFFAOYSA-N 317.297 2.360 0 40 DEAB C[C@H]1CCCCN1C(=O)COc1ccc(Cl)cc1C(N)=O 19042501 CVBGPTQECAJBJQ-JTQLQIEISA-N 310.781 2.219 0 40 DEAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccco2)n1C 5862477 LQUQOIGMNFGQML-JTQLQIEISA-N 308.407 2.328 0 40 DEAB CNS(=O)(=O)c1cccc(CNCc2ccc(F)cc2C)c1 66988793 FVAAVOQBUXTRGG-UHFFFAOYSA-N 322.405 2.332 0 40 DEAB Cn1cc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cn1 80941870 JHPZBPXBMXWADG-UHFFFAOYSA-N 317.414 2.441 0 40 DEAB CCOc1ccc(NC(=O)COc2nnc3ccccn23)cc1 8224889 NNKBRQQQUVUHOP-UHFFFAOYSA-N 312.329 2.146 0 40 DEAB CCC(=O)NCCCNC(=O)c1cccc(Br)c1 69368613 RNWCFAADPUOXFT-UHFFFAOYSA-N 313.195 2.095 0 40 DEAB Cc1cccc(C2(C(=O)NCCC(=O)N(C)C)CCCC2)c1 69351606 PNVGZBKCHCNZJO-UHFFFAOYSA-N 302.418 2.401 0 40 DEAB O=C([C@@H]1CCCCN1Cc1cccnc1)N1CCc2cnccc21 97163992 NHOGWQGBKVNYAS-SFHVURJKSA-N 322.412 2.420 0 40 DEAB CC(C)c1cc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)on1 71797243 XODMVBQBFRGTEO-CQSZACIVSA-N 317.393 2.307 0 40 DEAB CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1(C)C 96419324 AYHFHGIMGAVWLP-RYUDHWBXSA-N 310.419 2.123 0 40 DEAB C[C@H](CNC(=O)Nc1ccn(C)n1)N1CCc2sccc2C1 71883936 KTOHJNPBUKYZIV-LLVKDONJSA-N 319.434 2.050 0 40 DEAB Cc1cnn(CCC(=O)N2CCCC[C@@H]2Cn2cc(C)cn2)c1 71865986 UEBKHENMLUEOOQ-MRXNPFEDSA-N 315.421 2.168 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2OC)c1C 9609906 QHHHLQIOABAFPY-UHFFFAOYSA-N 316.357 2.357 0 40 DEAB O=C(Nc1cccc2[nH]ccc12)c1ccc(-n2cnnn2)cc1 72400941 YXZKDXRYDAVSCW-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB Cc1cnc([C@@H](C)CNC(=O)Nc2cncnc2N(C)C)s1 97375189 VIVGNRZXEQWQDH-VIFPVBQESA-N 320.422 2.233 0 40 DEAB O=C(NCCCS(=O)(=O)c1cccc(F)c1)C1CCCC1 97022612 AGAWTRWXIUSLEU-UHFFFAOYSA-N 313.394 2.296 0 40 DEAB CN(CCNC(=O)N(C)Cc1ccc(F)cc1)CC(F)(F)F 95395555 DEQBNJRQUGDCAM-UHFFFAOYSA-N 321.318 2.461 0 40 DEAB CC[S@](=O)CC(=O)NCc1ccccc1OC1CCCC1 95417695 MLKAEHSQIQRZQS-OAQYLSRUSA-N 309.431 2.393 0 40 DEAB COc1ccc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cc1C 95418115 QOUVPPAMJNKWAC-NRFANRHFSA-N 310.419 2.378 0 40 DEAB O=C(NC1(c2nnn(CC3CC3)n2)CCCC1)c1ccccc1 95418363 SJIMTQCZDJUWPR-UHFFFAOYSA-N 311.389 2.282 0 40 DEAB CCC(CC)n1ccc(C(=O)NC2(C(=O)OC)CCCC2)n1 95428315 CQCDRMNORCKQQI-UHFFFAOYSA-N 307.394 2.460 0 40 DEAB Cc1nccn1C[C@@H](C)CNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95996303 KCTJCCQVCRRALP-JSGCOSHPSA-N 322.453 2.473 0 40 DEAB CCCCN1CCCC[C@@H]1CNC(=O)N(C)C1CCOCC1 74878960 REEDHUADXSGQCM-MRXNPFEDSA-N 311.470 2.461 0 40 DEAB Cc1cccc(CSCC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)c1 89669550 ICZAQXOHFXMDBB-GOEBONIOSA-N 322.474 2.064 0 40 DEAB C[C@H](CC(=O)c1ccco1)NC(=O)c1cccc(-n2cccn2)n1 89894727 AQAZFQGBQPPORZ-GFCCVEGCSA-N 324.340 2.252 0 40 DEAB CCN(CCNS(=O)(=O)c1ccccn1)c1cccc(C)c1 89969215 NDULSJLPXWERFD-UHFFFAOYSA-N 319.430 2.195 0 40 DEAB CCOc1ccc(OC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 43006170 TVOJUYFMEPQZHA-BBRMVZONSA-N 321.398 2.445 0 40 DEAB Cc1ccc(NS(=O)(=O)c2ccc(NC(N)=O)cc2)cc1 409391956 PMOIHDFOUVWOCD-UHFFFAOYSA-N 305.359 2.286 0 40 DEAB CCOC(=O)CCC(=O)Nc1nnc(-c2cc(C)oc2C)o1 56907229 XXIANSJDWUSAIC-UHFFFAOYSA-N 307.306 2.228 0 40 DEAB COCCNc1ncc(-c2cc(C)no2)c([C@H]2CCCO2)n1 72324909 NEDSAEMQVQAJTA-GFCCVEGCSA-N 304.350 2.350 0 40 DEAB CC(C)[C@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)O 218756593 FUKQTJVZMSUYNL-HNNXBMFYSA-N 314.389 2.288 0 40 DEAB CON(C)C(=O)CCC(=O)c1ccc(Br)cc1 70730321 MEEMZPSTIQHISQ-UHFFFAOYSA-N 300.152 2.432 0 40 DEAB Cc1cc(S(=O)(=O)N2CCCC2)cc2c1NC(=O)C2(C)C 71196018 SGDBMXNFVURPGZ-UHFFFAOYSA-N 308.403 2.009 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 72777271 GOECRPGPVPPLSI-UHFFFAOYSA-N 316.401 2.480 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCCC[C@@H]1CN(C)Cc1ccccc1 79415748 YONCFBHZNODWJW-MSOLQXFVSA-N 317.477 2.483 0 40 DEAB CC(C)Sc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C(=O)O3)cc1 75162449 MEXXEZNTGGRWAB-JSGCOSHPSA-N 305.399 2.256 0 40 DEAB C[C@H]1CN(C(=O)c2nnsc2-c2ccccc2)C[C@@H](C)O1 72239993 CRICLLBPUGJKGO-PHIMTYICSA-N 303.387 2.455 0 40 DEAB CC[C@@H](C(=O)O)n1nnc(-c2cccc(C(F)(F)F)c2)n1 573710334 LGHSBPAEAZSXCF-VIFPVBQESA-N 300.240 2.395 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 195571625 PQJFCZLNFCAKRI-MCIONIFRSA-N 302.422 2.367 0 40 DEAB CCCC(=O)N(Cc1cccc(OC)c1)[C@H](CC)C(=O)NC 223415273 WOAFWWRGXGNWCS-OAHLLOKOSA-N 306.406 2.349 0 40 DEAB CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)C(N)=O 225462100 SMECCFVOCGEODM-GXSJLCMTSA-N 316.323 2.264 0 40 DEAB O=C(OC[C@@H]1CC(=O)N(CCc2ccccc2)C1)c1ccncc1 80427047 PEDZJPHVRXUYPA-MRXNPFEDSA-N 324.380 2.330 0 40 DEAB Cc1cnc(C(=O)N2C[C@H]3CCC[C@@]3(COCC3CC3)C2)cn1 96109184 GIOYDVSMSQGFRQ-QAPCUYQASA-N 315.417 2.454 0 40 DEAB CCCCc1noc(CN2CCNC(=O)[C@H]2c2cccs2)n1 96443537 YFUKHAYHVNYXOX-CQSZACIVSA-N 320.418 2.147 0 40 DEAB O=C(Nc1cnn(-c2ncccn2)c1)c1ccc2ccccc2n1 96414098 QTEUCODCEUSIJH-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB COc1ccc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc1 96232190 DMLBTWSXWOIKLE-ZDUSSCGKSA-N 322.320 2.144 0 40 DEAB COc1ccccc1[C@H](C)N[C@@H](C(=O)N1CCOCC1)C(C)C 95423658 YYTCLIYTNVEEHT-WMLDXEAASA-N 320.433 2.229 0 40 DEAB CC(C)N1CCOC[C@]2(CN(Cc3ccsc3)CCO2)C1 96049719 UTWMHJOYZMDPGD-INIZCTEOSA-N 310.463 2.060 0 40 DEAB COC[C@H]1CN(Cc2cccnc2)Cc2ncn(CC3CC3)c21 96045063 XLFVSVMWORGNHG-MRXNPFEDSA-N 312.417 2.434 0 40 DEAB O=C(NCC1CC1)[C@@H]1CN(c2ccccc2)C[C@H]2OCC[C@H]21 96064889 PMCNKLSXDPLNLU-GVDBMIGSSA-N 300.402 2.054 0 40 DEAB CCOc1ccc(S(=O)(=O)Cc2nnc(C)n2C2CC2)cc1 96490399 HPYNPGKFHAWKAG-UHFFFAOYSA-N 321.402 2.294 0 40 DEAB COCCCNC(=O)CN1CCS[C@@H](C)[C@@H]1c1ccccc1 96411488 JVTZJJLQVVHKST-WMLDXEAASA-N 322.474 2.318 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)NC[C@H]1[C@H]2c3ccccc3CC[C@H]21 245289558 CQRXWGFPWVYMSV-WZYMBKROSA-N 300.402 2.439 0 40 DEAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)c3cccs3)C2)n1 253473308 UBPGLWBGHLJGOJ-GFCCVEGCSA-N 303.387 2.448 0 40 DEAB O=C(Cc1cccs1)N1CCC[C@H](c2ccnc(O)n2)C1 257307686 SZVDHURAYMPBGD-NSHDSACASA-N 303.387 2.192 0 40 DEAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2c(C)n[nH]c2C)C1 257216285 CTWFFRBDGZXWGZ-AWEZNQCLSA-N 313.405 2.285 0 40 DEAB CC[C@]1(C)C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@@H]2C(=O)O)CC1 263176534 LFECZIBKFNYBSS-QDEZUTFSSA-N 309.406 2.151 0 40 DEAB O=C(/C=C/c1ccccc1)NCC1CCN([C@@H]2CCOC2)CC1 575617098 YGJUBVGYLLGRQR-IPLHWJFFSA-N 314.429 2.317 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)c1cc2ccccc2o1 43865320 DAGXRDIODHYVQN-DGCLKSJQSA-N 315.373 2.462 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)CCc3c(C)noc3C)C2)n1 54663053 BUDSUZZWCCODFW-ZDUSSCGKSA-N 318.377 2.322 0 40 DEAB FC(F)(F)CN1CCN(Cc2nnc(-c3ccco3)o2)CC1 54170747 WVMXUHLXEKZPCN-UHFFFAOYSA-N 316.283 2.010 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c(=O)[nH]1 76044333 VKABTNFXANLNIN-GFCCVEGCSA-N 316.361 2.167 0 40 DEAB CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1cnccn1 1548521569 HWFQDLCIWXMOMG-SECBINFHSA-N 312.299 2.144 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n[nH]1 78901902 ZUCKQMRUOIGROR-ZDUSSCGKSA-N 313.357 2.467 0 40 DEAB O=C(CCn1ccccc1=O)Nc1ncccc1Br 96449805 AFIDHNLBBQJVQL-UHFFFAOYSA-N 322.162 2.035 0 40 DEAB O=C(c1cccc(Cl)c1)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549168745 YWTVRTKWSQCZKT-UHFFFAOYSA-N 320.776 2.109 0 40 DEAB Cc1c(Cl)cccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@H]21 5490060 CZAQLWXPRNYBAW-MNOVXSKESA-N 316.835 2.302 0 40 DEAB C[C@H]1CN(C(=O)CSc2nc3ccccc3[nH]2)C[C@H](C)O1 13284291 CKBTXSSWJHRNAD-QWRGUYRKSA-N 305.403 2.291 0 40 DEAB Oc1cc(Cn2cccn2)nc2c(-c3ccc(F)cc3)cnn12 19406172 XCVFVEUAXZHRRZ-UHFFFAOYSA-N 309.304 2.486 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)[C@H]2SCCc3ccccc32)CC[S@@]1=O 205556786 CLDODWKJFHCFIV-JFYLMFJFSA-N 323.483 2.385 0 40 DEAB CCN(Cc1ccccc1NC(=O)Nc1ccn(C)n1)C(C)=O 155135063 WTROJBPCGBWYOQ-UHFFFAOYSA-N 315.377 2.433 0 40 DEAB CCCCc1nc(C2=Nc3ccccc3S(=O)(=O)N2)c[nH]1 19502339 SZTCUZASOFERJQ-UHFFFAOYSA-N 304.375 2.123 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 41128662 WRRWRUUICPDRPV-TXXBHVLJSA-N 313.184 2.340 0 40 DEAB CN(Cc1nnsc1Cl)C[C@H]1COc2ccccc2O1 37117565 FVDILXZZIBQAEM-VIFPVBQESA-N 311.794 2.463 0 40 DEAB COc1cccc(-n2ccn(Cc3ccccc3)c(=O)c2=O)c1 20488969 GRYATZVZFXIRGF-UHFFFAOYSA-N 308.337 2.056 0 40 DEAB Cc1ccc2[nH]c3c(=O)n(CC(=O)NC4CCCC4)cnc3c2c1 23126482 WYDVIMAFVTXYQJ-UHFFFAOYSA-N 324.384 2.245 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@@](O)(c1ccco1)C1CC1 75154888 HXMQMOPKRANIMV-SFHVURJKSA-N 315.369 2.381 0 40 DEAB Cc1cc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)on1 50612641 NDZVNGCCOUCVQF-ZDUSSCGKSA-N 323.393 2.389 0 40 DEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)OC[C@@H]2CCCO2)c1 32667942 IADLWFWMGSADLM-VIFPVBQESA-N 318.778 2.079 0 40 DEAB COc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1OC 258631 NKQAYSNQAQHUNL-UHFFFAOYSA-N 315.325 2.332 0 40 DEAB biogenic CC[C@@H](CNC(=O)[C@H]1CCCO1)N1CCc2ccccc2C1 32817241 YXJQMONNZFKGNR-DLBZAZTESA-N 302.418 2.119 0 40 DEAB Cc1ncsc1CCN1CCO[C@@H](c2nc(C(C)C)n[nH]2)C1 78892937 FOQJKTRPPHUCEF-GFCCVEGCSA-N 321.450 2.309 0 40 DEAB C[C@H](N)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 2517160 XOLSUKMEFPGXNO-LURJTMIESA-N 300.236 2.098 0 40 DEAB in-vitro CCN1C(=O)N/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O 6951286 GHKWKJBUKSFSMF-BJMVGYQFSA-N 310.737 2.270 0 40 DEAB COc1cccc(C(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)c1 69533176 NFQANIBLFLPUBC-AWEZNQCLSA-N 318.417 2.320 0 40 DEAB Cc1nc2ccc(C(=O)NCCCn3ccnc3)cc2nc1C 53274337 VVMMRODHEUNGNT-UHFFFAOYSA-N 309.373 2.263 0 40 DEAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCC1 100467008 GUFSPRZYMMTPOY-RLFYNMQTSA-N 307.482 2.003 0 40 DEAB CCCN(CC(=O)Nc1ccccc1C)Cc1nnc(C)n1C 47541657 QRZCMCWYERFQIN-UHFFFAOYSA-N 315.421 2.283 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 41824081 OIAYWSZNODQORG-RYUDHWBXSA-N 305.403 2.429 0 40 DEAB CCCCn1nc(C(=O)Nc2ccc(C)cc2O)ccc1=O 42236501 NLKKUVGBEFDIGE-UHFFFAOYSA-N 301.346 2.310 0 40 DEAB O=C(NC1=NCCS1)c1cccc(OC[C@H]2CCCO2)c1 23028120 BJYHARPXSXDPEG-CYBMUJFWSA-N 306.387 2.077 0 40 DEAB Cc1ccc(Cn2c(=S)[nH]c(C)c(CC(=O)O)c2=O)cc1 20156361 VEJZBZQSYRUNBZ-UHFFFAOYSA-N 304.371 2.198 0 40 DEAB CC[C@H]1CN(CCOc2ccc(C)cc2)CCN1C[C@@H](C)O 72279686 APCWNYMKOGNEBH-SJORKVTESA-N 306.450 2.151 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)NCCCn2ccnc2)on1 42897916 JBNHPQREZLCWAE-CYBMUJFWSA-N 303.366 2.116 0 40 DEAB CC[C@@H]1CN(CCOc2cccc(C)c2)CCN1C[C@@H](C)O 72279687 SAMFDMCCOVCRPX-IAGOWNOFSA-N 306.450 2.151 0 40 DEAB CCc1c(C(=O)Nc2ccccc2)cnn1-c1ccc(OC)nn1 24482751 SSHVGZPYHIEHNY-UHFFFAOYSA-N 323.356 2.486 0 40 DEAB Cc1noc(C)c1CN1CCCN(C(=O)c2ccoc2)CC1 55060061 PAWUOAZZDFCOBG-UHFFFAOYSA-N 303.362 2.233 0 40 DEAB COC(=O)NCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 55096579 TUHZBSQNWXZYKB-UHFFFAOYSA-N 320.345 2.413 0 40 DEAB CC(C)c1nnc(SCC(=O)NCCC2=CCCCC2)n1N 3347538 IULMBDJZTBAWQT-UHFFFAOYSA-N 323.466 2.214 0 40 DEAB Cc1ccc(O)c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 56952825 OWCKKBHYEAAVEC-ZDUSSCGKSA-N 301.346 2.328 0 40 DEAB O=[S@@](CCN1CCC[C@@H]1Cn1cccn1)c1ccccc1 69929822 WQTDLUXODQMTCF-QVKFZJNVSA-N 303.431 2.155 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](n2ccnc2)C1 69922573 NSRGTOFMLBZERI-XHSDSOJGSA-N 321.421 2.021 0 40 DEAB O=C(NCc1cccnc1)c1ccc(Br)cc1O 44490540 NLJAPIJCNUITIH-UHFFFAOYSA-N 307.147 2.480 0 40 DEAB COc1ccc(-n2nnnc2C2(NC(C)C)CCCC2)cc1 35622174 NFOHSPPVBQSHFP-UHFFFAOYSA-N 301.394 2.438 0 40 DEAB CCCCCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324561 XMFLMBHAMVDANA-LBPRGKRZSA-N 324.446 2.317 0 40 DEAB CC(C)CC[C@@H](C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O 57728142 JDUZZVREUWWPGR-GFCCVEGCSA-N 311.426 2.038 0 40 DEAB CNc1snc(C)c1C(=O)NCc1ccc2c(c1)OCCO2 27323854 RAGPVLQFMWOHJF-UHFFFAOYSA-N 319.386 2.194 0 40 DEAB Cc1ccc(C)c(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1 12780658 FHZSRCQGZUAZRK-UHFFFAOYSA-N 314.389 2.027 0 40 DEAB COc1cccc2c1N(C(=O)N1CCC[C@H](C(=O)O)C1)CCC2 58046851 NOFDCGLPOAUFRQ-ZDUSSCGKSA-N 318.373 2.364 0 40 DEAB OCCn1ncc2c1CCC[C@H]2Nc1ncnc2sccc12 58130456 YDAHPPRHWIAESI-GFCCVEGCSA-N 315.402 2.370 0 40 DEAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1nnc(C)s1 44894299 NEHTYAUNYCXRGJ-SECBINFHSA-N 314.370 2.300 0 40 DEAB Cc1cc(CNC(=O)[C@H](C)S(C)(=O)=O)c2[nH]c(C)c(C)c2c1 58208919 XOUIGEGATRXKIQ-LBPRGKRZSA-N 322.430 2.142 0 40 DEAB CCOc1ccc(NC(=O)CNC(=O)CC[C@H]2CCCO2)cc1 58290269 RQALVVCZBOKMJC-CQSZACIVSA-N 320.389 2.099 0 40 DEAB COc1ccc(Cl)cc1NC(=O)c1cc(=O)c(OC)cn1C 23135535 OPZWSDXIWBTMEN-UHFFFAOYSA-N 322.748 2.308 0 40 DEAB COCCCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 44966826 ARJGCIPRYNMSDO-CHWSQXEVSA-N 307.394 2.060 0 40 DEAB C[C@@H](CNC(=O)[C@H](C)n1cccn1)N1CCc2sccc2C1 48362190 OMJKRHNJJBSSMU-STQMWFEESA-N 318.446 2.069 0 40 DEAB CCSCc1ccc(C(=O)NC[C@H]2CN(C)CCO2)cc1 58328721 TYMWEUACJDQHTF-HNNXBMFYSA-N 308.447 2.000 0 40 DEAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1cccc2ccccc12 58405633 HDAITGTWJXXDKX-CVEARBPZSA-N 310.397 2.433 0 40 DEAB CN(CC(=O)Nc1ccccc1)CC(=O)Nc1ccc(F)cc1 3491519 IMHFLTWWTZELJO-UHFFFAOYSA-N 315.348 2.335 0 40 DEAB CCCCc1ccc(-n2nnnc2S[C@H]2CCOC2=O)cc1 12983107 NKXMGCMKXOVOHU-ZDUSSCGKSA-N 318.402 2.413 0 40 DEAB O=C(/C=C/c1ccccn1)N[C@H](Cn1cncn1)c1ccccc1 69780536 AAYSPIHHHJIMOO-OAGJVSPASA-N 319.368 2.244 0 40 DEAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 49173666 NXMVBIIZGILLFA-CYBMUJFWSA-N 321.808 2.113 0 40 DEAB O=C(CCN1CC[C@H](CNc2ccccn2)C1)NC1CCCC1 65457945 YPDUNKVRCVDARI-OAHLLOKOSA-N 316.449 2.264 0 40 DEAB Cc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(F)c1 5325799 LLUJUKICLCTLRF-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB Nc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)n[nH]1 6414021 GSHRJYNWSHYGTB-UHFFFAOYSA-N 318.189 2.425 0 40 DEAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccncc3)o2)C1 14159798 XMBLURXXFPHLIS-LLVKDONJSA-N 318.402 2.482 0 40 DEAB O=C1Cc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc2N1 5403024 UJXPTTTWHHMUMP-UHFFFAOYSA-N 306.318 2.121 0 40 DEAB Cc1ccc([C@@]23CCC(=O)N2[C@@H](C(=O)NC2CC2)CS3)cc1 6509643 JNBJOOFFEFGYCS-PBHICJAKSA-N 316.426 2.164 0 40 DEAB COc1cc2nc(CN3CCC(C)CC3)[nH]c(=O)c2cc1OC 6503566 JNLZHWZBHJMQDY-UHFFFAOYSA-N 317.389 2.172 0 40 DEAB COc1ccc(/C=C2\C(=O)NCC(=O)N2Cc2ccccc2)cc1 5526829 JRWWZPGKAYSCGA-GZTJUZNOSA-N 322.364 2.195 0 40 DEAB COc1ccc(-c2cn3ccccc3[n+]2CCOC(C)=O)cc1 27525701 JCOQPMLQWKQQKL-UHFFFAOYSA-N 311.361 2.466 0 40 DEAB Cc1cccc(OC[C@H](O)CNc2nn3cc(C)nc3s2)c1 66387325 QDXDNZGNVYXXPU-GFCCVEGCSA-N 318.402 2.259 0 40 DEAB CCOC(=O)[C@@H](NC(=O)OCc1ccccc1)C(F)(F)F 5952942 SMCDAJVQRNYHRN-SNVBAGLBSA-N 305.252 2.407 0 40 DEAB C[C@H](c1nnc(-c2cccs2)o1)N1CCC(C(N)=O)CC1 7910972 CKBDJAXXIFTJBN-SECBINFHSA-N 306.391 2.056 0 40 DEAB CC(C)[C@@H](NC(=O)N1CCC[C@H](C)C1)c1nnc2n1CCC2 70039140 XOJVQFDILDTPCQ-GXTWGEPZSA-N 305.426 2.363 0 40 DEAB CCn1cc(Br)cc1C(=O)NO[C@H]1CCCCO1 69438886 QRDQDBUMQAIUKI-NSHDSACASA-N 317.183 2.459 0 40 DEAB O=C(Nc1cnc2[nH]c3ccccc3n2c1=O)c1ccccc1 9458421 HOMQNJPKOMETFA-UHFFFAOYSA-N 304.309 2.428 0 40 DEAB Cc1cc(C)nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)n1 97114343 PGVUIFIHKZJXBG-UHFFFAOYSA-N 317.292 2.312 0 40 DEAB O=C(NC1CCSCC1)[C@H]1CCCCN1Cc1cccnc1 71893318 KGXPEOARVOMYNH-MRXNPFEDSA-N 319.474 2.448 0 40 DEAB O=C(NCCn1ccnc1)Nc1nnc(CC2CCCC2)s1 71803423 BQDJZKMWBGFEFP-UHFFFAOYSA-N 320.422 2.289 0 40 DEAB 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O=C(NCCOC(=O)c1cccc2ncccc12)c1cccnc1 95444289 XCHRFDJIJIXRKU-UHFFFAOYSA-N 321.336 2.217 0 40 DEAB Cc1ccccc1[C@H](O)CNS(=O)(=O)c1ccccc1F 95433117 IDORJSSNFGHVDF-CQSZACIVSA-N 309.362 2.146 0 40 DEAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)CC1(O)CCCCC1 73763748 HTUVKSFNYQFTJQ-OAHLLOKOSA-N 303.406 2.364 0 40 DEAB CC(C)(C)c1nccc(N2CCN(Cc3ccncc3)CC2)n1 95962920 RIXGHTZJHGOUER-UHFFFAOYSA-N 311.433 2.491 0 40 DEAB CC[C@H]1Oc2cc([C@H](C)NCCn3cccn3)ccc2NC1=O 95985457 NAQYSBSSCLVLEC-SWLSCSKDSA-N 314.389 2.343 0 40 DEAB COc1ccc(CCNC(=O)CCn2cccn2)c(Cl)c1 89432663 KQQVNECHECZDLG-UHFFFAOYSA-N 307.781 2.294 0 40 DEAB CC(C)N(C[C@H]1C[C@H]1C)C(=O)c1ccc(CS(C)(=O)=O)o1 75147705 CPEPPDPILQFPJU-VXGBXAGGSA-N 313.419 2.331 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)O)c1 110695386 UAVHIWNOMMLTJC-FZMZJTMJSA-N 301.383 2.058 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1 170678679 UZSQBODZFADJDY-INIZCTEOSA-N 312.417 2.491 0 40 DEAB O=Cc1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 408662191 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Cc1cc(C)c(C(=O)NC2CCN(C[C@H]3CCCN3C)CC2)o1 527577540 KKYVMOIVRMMZFG-MRXNPFEDSA-N 319.449 2.185 0 40 DEAB C[C@@H]1CCc2[nH]c(=O)c(C(=O)NCCc3ccco3)cc2C1 49551646 VEZPBMVBKYMVDI-LLVKDONJSA-N 300.358 2.065 0 40 DEAB COc1cccc2c1CC[C@@]2(N)C(=O)N1CCCC(F)(F)C1 1579288982 XBWSQGZNJQXCNG-INIZCTEOSA-N 310.344 2.053 0 40 DEAB C[C@@H](C(=O)N1Cc2cnn(-c3ccccc3)c2C1)c1cnn(C)c1 572317719 ISCSZARMSGNDNP-CYBMUJFWSA-N 321.384 2.252 0 40 DEAB COc1c(C(=O)NC[C@H](C)Oc2ccc(F)cc2)c(C)nn1C 80764610 FECJDOSCSZVKIC-JTQLQIEISA-N 321.352 2.074 0 40 DEAB CN(C[C@H]1CCCC[C@H]1O)C(=O)NCc1cn2ccccc2n1 195554245 OJZKYZYYVNGBEV-UKRRQHHQSA-N 316.405 2.027 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H](C)C[S@](C)=O 97373361 GJYSAPWGANRTDD-AMXDTQDGSA-N 319.430 2.020 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)Cn1ccc2c(OC)cccc21 95473922 OQTDZXJYOMNMHT-CQSZACIVSA-N 315.417 2.250 0 40 DEAB CCOC[C@@H]1CN(Cc2csc(C)n2)Cc2ccnn2C1 96188929 QTZWWFOROXILTF-CYBMUJFWSA-N 306.435 2.317 0 40 DEAB CCCCO[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 236841874 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CN(C)c1cccc(C(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)c1 252570769 XDARKFKJOQUGNP-YOEHRIQHSA-N 308.385 2.445 0 40 DEAB Cc1ccn2c(=O)c(C(=O)N[C@H]3CCCC[C@H]3C)c(O)nc2c1 96298827 BJGGPNNGHSJMMY-NEPJUHHUSA-N 315.373 2.017 0 40 DEAB O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1ccc(Br)o1 97009327 ZMQDCSFVUZMRCO-NKWVEPMBSA-N 302.124 2.025 0 40 DEAB CCN(CC)C(=O)c1ccc(N2CCCCS2(=O)=O)cc1 5438410 GSJSHHSDQXWPKG-UHFFFAOYSA-N 310.419 2.099 0 40 DEAB CCn1ncc(-c2csc(NC(=O)Cn3ccnc3)n2)c1C 19524076 VRTODECJEHQCEF-UHFFFAOYSA-N 316.390 2.170 0 40 DEAB Cc1cc(C[C@@H](C)NC(=O)Nc2nnc(C(F)F)s2)n[nH]1 158423780 KMMIUWQCUGQJOH-RXMQYKEDSA-N 316.337 2.260 0 40 DEAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccccn2)C1=O 6326830 JIKBVGZMVVUKLG-GHXNOFRVSA-N 320.370 2.317 0 40 DEAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1N[C@H](C)c1nc(C)no1 107323700 VBQPMKVHVFXMFV-MRVWCRGKSA-N 308.426 2.312 0 40 DEAB CN(C)c1cccc(C(=O)N2CC(OCC(F)(F)F)C2)c1 390826039 AGXPBSZFRRPOKP-UHFFFAOYSA-N 302.296 2.156 0 40 DEAB O=C1OCCN1[C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 853806583 LAOKCGMSHSXVGS-VIFPVBQESA-N 301.268 2.131 0 40 DEAB C[C@H]1C(=O)NCCN1C(=O)CCSc1ccc(Cl)cc1 11694210 JHYGFMIYVAIJEF-JTQLQIEISA-N 312.822 2.169 0 40 DEAB COc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1OC 5251317 ZYZPUFRBTIZIMN-UHFFFAOYSA-N 320.389 2.481 0 40 DEAB O=C(C[C@@H](NCc1ccco1)C(=O)O)Nc1ccc(F)cc1F 10434202 VGSWKPHZBXZWFY-CYBMUJFWSA-N 324.283 2.129 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc2sccc2c1 16847847 BMYKTVRFNIPRBC-GFCCVEGCSA-N 324.427 2.264 0 40 DEAB CC(=O)C1=NN(c2ccccc2)[C@]2(N3CCOCC3)CCC[C@H]12 19690849 KMZHNGVDPYBPFI-SJLPKXTDSA-N 313.401 2.280 0 40 DEAB CCOP(=O)(OCC)[C@H](NC(C)=O)C(=O)c1ccco1 27061750 OUYXBHVUHHAHLX-LBPRGKRZSA-N 303.251 2.191 0 40 DEAB COC(=O)c1ccc(C(=O)NC[C@H](OC)c2ccco2)cc1 206859772 MJWCSPUFHLHAHT-AWEZNQCLSA-N 303.314 2.184 0 40 DEAB O=C(NCC(F)(F)F)c1ccc(O[C@@H]2CCSC2)nc1 225715694 JSHBLTDVOOEIER-SECBINFHSA-N 306.309 2.258 0 40 DEAB COc1cc(C=O)ccc1OCC(=O)N[C@H](C)c1ccco1 20285236 LXACLFKQLPWJFW-LLVKDONJSA-N 303.314 2.357 0 40 DEAB COc1ccccc1CCN1C(=O)c2ccccc2S1(=O)=O 40496863 SXOMDUHTMCXQIC-UHFFFAOYSA-N 317.366 2.082 0 40 DEAB CC(C)C(=O)N1CCC[C@H](C(=O)NCCc2ccccc2F)C1 40506361 FOKVSDASNMBNQY-HNNXBMFYSA-N 320.408 2.379 0 40 DEAB COc1ccccc1[C@H](CNC(=O)c1scnc1C)N(C)C 40533867 CJWFHDWOJJEGDM-ZDUSSCGKSA-N 319.430 2.493 0 40 DEAB Cc1cc(C)nc(NCc2ccc(N3CCO[C@H](C)C3)nc2)n1 52245850 APMWSXAMCXJKOA-CQSZACIVSA-N 313.405 2.326 0 40 DEAB C[C@@H](OC(=O)c1ccccc1C(=O)c1cccs1)C(N)=O 21480097 QIJYSBLDAAASEZ-SECBINFHSA-N 303.339 2.010 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CN1CCC[C@@H](C(N)=O)C1 29693378 MYUPWMZZDUNGJN-FPCVCCKLSA-N 324.465 2.188 0 40 DEAB CCc1nc(C)c([C@@H](C)N(C)CCS(=O)(=O)CC)s1 76040350 JYYSPKRCTCKIJF-LLVKDONJSA-N 304.481 2.441 0 40 DEAB COC(=O)CN(C(=O)Cc1ccc(C)nc1)c1cccc(F)c1 79013453 QALBNHTWRQQSLS-UHFFFAOYSA-N 316.332 2.278 0 40 DEAB O=C(CSc1nnc(-c2ccco2)o1)NCc1ccco1 421929 YFAAJLLRCWEUCM-UHFFFAOYSA-N 305.315 2.331 0 40 DEAB CCOC(=O)/C(C#N)=C/c1cccc(OCC)c1OCC(=O)O 6964983 ICKBWBYSXXRFKV-XYOKQWHBSA-N 319.313 2.019 0 40 DEAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)/C=C/C1CCCCC1 72287263 QEFUBXYQHUUKQH-LPQFERQCSA-N 300.402 2.336 0 40 DEAB O=C1CCCCCN1CC(=O)N1CCC[C@@H]1c1ccncc1 42797197 ZGQCJAKHQBRQJW-OAHLLOKOSA-N 301.390 2.148 0 40 DEAB COc1cccc(OCC(=O)Nc2ccc(-n3cccn3)nc2)c1 55119432 ABWPDBBCUCAXIW-UHFFFAOYSA-N 324.340 2.293 0 40 DEAB CCOc1cccc(N2CCN(C(=O)c3ccoc3C)CC2)n1 106706325 PDDPEEFNBOBORC-UHFFFAOYSA-N 315.373 2.344 0 40 DEAB CC(C)c1ncc(CN(CCCO)Cc2ccncc2)cn1 57796762 PPMCXIKYHPTTSC-UHFFFAOYSA-N 300.406 2.380 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccccc2C1 43828702 NLDCYGWSPPNJSB-GFCCVEGCSA-N 304.390 2.485 0 40 DEAB Cc1ccc(NC(=O)NC2CCCCC2)cc1-n1cnnn1 44246284 QDVCGEDSGLZSBM-UHFFFAOYSA-N 300.366 2.425 0 40 DEAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cncn1 27580821 UVEOSDGOYYKBBF-MRVPVSSYSA-N 300.240 2.376 0 40 DEAB Cc1cc(NC(=O)NC2CCN(Cc3ccccn3)CC2)no1 44968495 RPYOARJBZKUEOY-UHFFFAOYSA-N 315.377 2.164 0 40 DEAB C[C@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccncc1 44909934 GNBSFHGBNFKAJF-JSGCOSHPSA-N 313.357 2.282 0 40 DEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 58304616 CAOICYKPDSATGX-OAHLLOKOSA-N 317.433 2.129 0 40 DEAB COc1ccc(CNCc2c(C(C)C)nn(C)c2OC)cn1 58392208 SWSUJZNJJRLGOY-UHFFFAOYSA-N 304.394 2.246 0 40 DEAB Cc1cccc(OC[C@@H](O)Cn2c(=O)n(C)c3ccccc32)c1 58647926 GUKVEOFGWHKQHW-AWEZNQCLSA-N 312.369 2.088 0 40 DEAB O=C(NCc1ccncc1)c1cn2c3c(cccc3c1=O)CCC2 22235180 KIBLBICMRHZZHQ-UHFFFAOYSA-N 319.364 2.273 0 40 DEAB CCc1cc(N(C)C2CCCCC2)n2nc(C(=O)OC)nc2n1 48356604 CDHHZDUFEVCSLQ-UHFFFAOYSA-N 317.393 2.242 0 40 DEAB COc1ccccc1CNC(=O)c1cn(C)c2ccccc2c1=O 22234226 DIURZUZVXCYTCH-UHFFFAOYSA-N 322.364 2.477 0 40 DEAB C[C@H](NC(=O)NCCc1cccs1)C(=O)N1CCCC[C@@H]1C 69527547 QDUIGGNVMZQEBA-STQMWFEESA-N 323.462 2.379 0 40 DEAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)S(C)(=O)=O 69514876 TZVMBFYVYZFZGZ-CHWSQXEVSA-N 319.426 2.320 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccco1)C2 69738905 UALUDPAPQKIHPC-NWDGAFQWSA-N 300.362 2.140 0 40 DEAB NC(=O)[C@H](c1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1 69738450 IRXOHHDIYYPKFV-CVEARBPZSA-N 316.380 2.103 0 40 DEAB O=C(Cc1csc(-c2cccs2)n1)O[C@@H]1CCOC1=O 17934941 STRIKRRDVCMSFW-SECBINFHSA-N 309.368 2.273 0 40 DEAB Cc1ccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2C)cc1 5127126 BPCZEUYKWWXKSN-UHFFFAOYSA-N 304.371 2.203 0 40 DEAB CNc1ncc(CN(C)C(=O)c2ccc(CSC)o2)cn1 65397732 KYWAYFILRFHFMC-UHFFFAOYSA-N 306.391 2.247 0 40 DEAB CC(C)n1nnnc1S[C@@H](C)C(=O)NCc1ccccc1 14252075 DCYFLACZSVAPSU-NSHDSACASA-N 305.407 2.051 0 40 DEAB NC(=O)[C@H]1CN(C(=O)/C=C/c2cccs2)c2ccccc2O1 14228733 JJCXIZHBYGSZOO-HSBSLETESA-N 314.366 2.041 0 40 DEAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3cccnc3)C2)n1 4859010 FOHLFDNTIZBZAS-AWEZNQCLSA-N 311.389 2.344 0 40 DEAB NC1=Nc2nc3ccccc3n2[C@@]2(CCc3ccccc3C2)N1 7030645 LSACYBMSJIKLMX-GOSISDBHSA-N 303.369 2.427 0 40 DEAB O=C(NCc1ccc(Cl)cc1)c1ccccc1-n1cnnn1 16024334 DRIHIKKJTCYJPB-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB O=C(Cc1c(F)cccc1Cl)NCc1nnc2ccccn12 7898604 LJDOETZSRFRTGJ-UHFFFAOYSA-N 318.739 2.381 0 40 DEAB CN1CCN(C[C@H](O)COc2ccccc2)Cc2ccccc21 69088934 FDSMGBLMOLAPQM-KRWDZBQOSA-N 312.413 2.378 0 40 DEAB COC(=O)c1cncc(C(=O)N[C@H]2CCc3c(F)cccc32)c1 91240870 VYKAFRPYOVERQU-HNNXBMFYSA-N 314.316 2.425 0 40 DEAB COC(=O)CN(CC(=O)NCc1ccccc1C)C1CCCC1 84243946 ICNIWWRDLDPLPC-UHFFFAOYSA-N 318.417 2.029 0 40 DEAB C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 96478056 ALPSXBROMPTHAP-HIFRSBDPSA-N 315.417 2.085 0 40 DEAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)Cc1cnn(C)c1 96433005 LIGZEQPGULLLQO-MRXNPFEDSA-N 303.381 2.485 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@H]2c2noc(C3CC3)n2)no1 72300092 CYSUPNTWJAALHV-NSHDSACASA-N 317.349 2.019 0 40 DEAB Cc1ccc(-c2noc(NC[C@@]3(CCO)CCOC3)n2)cc1 97047829 DARXOLBUTCOYEM-MRXNPFEDSA-N 303.362 2.246 0 40 DEAB O=C1NCCN(C(=O)c2cscn2)[C@H]1c1ccccc1Cl 97086606 SIDAOOHDVQGNSU-LBPRGKRZSA-N 321.789 2.110 0 40 DEAB NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)cn1 95441824 KAADDAYQKAMTJZ-MNOVXSKESA-N 317.295 2.201 0 40 DEAB O=C(Nc1nncn1-c1ccccc1)[C@H]1COc2ccccc21 95983091 ZFXRMLJRPOFVAA-AWEZNQCLSA-N 306.325 2.382 0 40 DEAB CN(CCO)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 95948680 KVKMNPUSCZEIAF-SFHVURJKSA-N 323.396 2.445 0 40 DEAB CC(C)[C@@H]1CCCN(c2ncc(S(N)(=O)=O)s2)CC1 95959772 UONUDLCEESPBED-SNVBAGLBSA-N 303.453 2.053 0 40 DEAB CN(CCn1cnc2ccsc2c1=O)c1cccc(CO)c1 89346537 BOVRWJDPUAPCRP-UHFFFAOYSA-N 315.398 2.087 0 40 DEAB CN(C)[C@@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 89314055 HXWZZQSFMKKUMR-CQSZACIVSA-N 311.376 2.243 0 40 DEAB CC(C)(C)c1ccc(S(=O)(=O)CCNC(=O)N2CCC2)cc1 75607132 HHNHBIFDMWWLNE-UHFFFAOYSA-N 324.446 2.173 0 40 DEAB Cc1cc(C)c(C)c(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 23643362 RIFUKZDWMMEXHW-INMHGKMJSA-N 307.434 2.461 0 40 DEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1nncs1 43130819 CSTZIWMMKCATKZ-UHFFFAOYSA-N 306.347 2.321 0 40 DEAB CCOCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408708671 KJQIFXGJVQWIPN-UHFFFAOYSA-N 322.405 2.203 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CC[C@H](OC(F)F)C1 549412065 IJAUSKINFDEPHR-YPMHNXCESA-N 310.344 2.278 0 40 DEAB C[C@@]1(c2nc(-c3ccccn3)no2)Oc2ccccc2NC1=O 72241209 ISSASLIQIWJULI-MRXNPFEDSA-N 308.297 2.378 0 40 DEAB CCN(C(=O)CS(=O)(=O)c1cccc(Cl)c1)C1CC1 78978784 PUKMTUWLCHVILM-UHFFFAOYSA-N 301.795 2.125 0 40 DEAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)[nH]1 223635302 XSGLORNRPHOFQZ-HUUCEWRRSA-N 316.430 2.073 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 222991706 DKRXKFDEBZPWOV-KGLIPLIRSA-N 303.387 2.294 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N(C)C2CCCC2)cc1 44886622 DJVBYGJJJWJYGE-UHFFFAOYSA-N 310.419 2.463 0 40 DEAB O=C(O)c1cnc(NC[C@@H](c2ccco2)N2CCCCC2)nc1 568517698 WVPHRDAQHZOUQH-ZDUSSCGKSA-N 316.361 2.407 0 40 DEAB CCCCN(CC(N)=O)C(=O)Cc1c(C)[nH]c2ccccc12 49743850 GDHSDHPDPKCMQY-UHFFFAOYSA-N 301.390 2.133 0 40 DEAB CCOC(=O)CC1(C(=O)O)CCN(Cc2ccccc2)CC1 199737583 GPFDGNBEUDJENF-UHFFFAOYSA-N 305.374 2.307 0 40 DEAB CN(C)[C@@H](CNC(=O)C(C)(C)O)c1cccc(C(F)(F)F)c1 191893952 WJOVDZHJODEFLB-LBPRGKRZSA-N 318.339 2.195 0 40 DEAB CCOC[C@@H]1CN(C(=O)Nc2c(F)cccc2OC)CCO1 529065674 OYQRBJOYABHDCA-NSHDSACASA-N 312.341 2.104 0 40 DEAB CCCn1c([S@@](=O)[C@@H](CC)c2ccc(F)cc2)n[nH]c1=O 83077086 DQGNIPJVQIFWEH-LAJNKCICSA-N 311.382 2.379 0 40 DEAB CN(C(=O)CC(F)(F)F)[C@H]1CCN(c2ccccc2F)C1=O 96405730 QOABHRBVWNEGKP-NSHDSACASA-N 318.270 2.342 0 40 DEAB CC(=O)N[C@H]1[C@H](c2ccccc2)N(CC2CC2)CC[C@@]1(C)O 514289336 IJVDRDAHAWWBJE-OKZBNKHCSA-N 302.418 2.099 0 40 DEAB biogenic,in-vitro Cc1occc1C(=O)N1CCC[C@]2(C[C@H](n3ccnc3)CO2)C1 96048570 DYCOFRSDVSPMDT-YOEHRIQHSA-N 315.373 2.421 0 40 DEAB C[C@H](CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C)Cn1cccn1 96496823 HFEPNSGMWIMPTB-CHWSQXEVSA-N 308.426 2.165 0 40 DEAB Cc1ncsc1CNC(=O)NC[C@@](C)(O)c1cccs1 96417725 NNWYBRWNFYZJJO-CYBMUJFWSA-N 311.432 2.220 0 40 DEAB CNS(=O)(=O)CCCN1CCCCC[C@H]1c1ccc(C)o1 96415015 RIFAMXIPNDJRAK-AWEZNQCLSA-N 314.451 2.444 0 40 DEAB COC[C@H]1C(=O)NCC12CCN(Cc1sccc1C)CC2 96206166 KPCBSLGWCALPBE-ZDUSSCGKSA-N 308.447 2.031 0 40 DEAB COCCOc1cc(C(=O)Nc2onc3c2CCCC3)ccn1 244998626 KMUGDMQQTWMUGK-UHFFFAOYSA-N 317.345 2.226 0 40 DEAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CC2CCCCC2)[C@H]1O 257250475 JMQORUXVJNKSEZ-BFYDXBDKSA-N 305.422 2.343 0 40 DEAB Cc1cnn(C)c1CN1CCCC[C@@H]1c1ccnc(N(C)C)n1 257339359 ZBJJWTUAARTULZ-OAHLLOKOSA-N 314.437 2.312 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)COc3ccccc3F)C2)n1 257296102 RBGAMSIBQZIDTP-LBPRGKRZSA-N 303.337 2.252 0 40 DEAB C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 253370440 QYHWILUPDAMZAA-OLZOCXBDSA-N 317.437 2.475 0 40 DEAB c1cncc(CN2CCC3(CC2)CO[C@@H](Cc2cnccn2)C3)c1 257340881 ZHXJESYVNVGXKS-SFHVURJKSA-N 324.428 2.485 0 40 DEAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](O)[C@]2(CCCO2)C1 257213971 CJWXNXPJZDVBQR-HKUYNNGSSA-N 315.413 2.321 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575404538 NXMBSZJJRSPVDG-AWEZNQCLSA-N 302.374 2.021 0 40 DEAB CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3c(C)cccc32)N2CCC[C@H]12 55243666 DZKLHXXOODGCMW-WPKBUWHJSA-N 314.385 2.190 0 40 DEAB O=C(c1n[nH]c(O)n1)N1CC=C(c2ccc(Cl)cc2)CC1 82973086 LUGWTEQNMANZDR-UHFFFAOYSA-N 304.737 2.093 0 40 DEAB Cc1noc([C@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 90608554 CSCBMADHDHKPKT-CYBMUJFWSA-N 304.350 2.279 0 40 DEAB CCN1OC2(CCN(C(=O)Nc3ccccc3F)CC2)CC1=O 1549161048 DDBVMEKNAJTKQT-UHFFFAOYSA-N 321.352 2.376 0 40 DEAB COc1ccc(C(=O)NCc2ccc(OC)nc2)c(OC)c1 11005335 HVJGPFYZZWDTLY-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB COc1ccc(OC)c(-n2c(C)cc(O)c(C(C)=O)c2=O)c1 16769694 BXVNVJCPJSCLJB-UHFFFAOYSA-N 303.314 2.071 0 40 DEAB N=C(NN)SCCCCCCCCCCSC(=N)NN 17289602 MHQWBTUUAVHEJE-UHFFFAOYSA-N 320.532 2.370 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc(C)cc(=O)[nH]2)cc1 19209582 DQWWQIRYGPGQDA-OAHLLOKOSA-N 311.385 2.293 0 40 DEAB O=C(c1cccnc1)N1CCO[C@@H](Cc2ccc(F)cc2)C1 607855071 JJRXWJBIMFUBEA-INIZCTEOSA-N 300.333 2.304 0 40 DEAB CSc1cccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)c1 253399406 JBXPHZQDCSQNGP-BPLDGKMQSA-N 307.415 2.475 0 40 DEAB COc1ccc(C)c2sc(N3CC(n4nccn4)C3)nc12 1889149434 CIUMCAJDBVZMGS-UHFFFAOYSA-N 301.375 2.266 0 40 DEAB O=C(COc1ccc(F)cc1F)NCc1ccc2c(c1)OCO2 29054322 BSQZBTOQUGJSJA-UHFFFAOYSA-N 321.279 2.389 0 40 DEAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc2c(c1)OCCO2 4107290 OYUHBBXPCWWOOF-UHFFFAOYSA-N 313.269 2.353 0 40 DEAB O=C(O)CCc1nnc(SCc2ccc(F)cc2)nc1O 9691996 VRHDDCNZBJHBRH-UHFFFAOYSA-N 309.322 2.026 0 40 DEAB Cc1[nH]c(=O)c(C(=O)Nc2nc3c(s2)CCCC3)c(O)c1C 207010732 WKIUQUXYTZPLFR-UHFFFAOYSA-N 319.386 2.285 0 40 DEAB CN(C)c1ncc2c(n1)CC[C@H](NC(=O)Nc1cccs1)C2 585150381 SWNKACZFKXJBTC-NSHDSACASA-N 317.418 2.283 0 40 DEAB O=C(Cn1nc(C2CC2)ccc1=O)NCc1ccc(Cl)cc1 289395534 NESFOZBAARVCPV-UHFFFAOYSA-N 317.776 2.091 0 40 DEAB COc1ccc(C[C@@](C)(O)CNC(=O)/C=C/c2ccoc2)cc1 206707028 RMPPNPSGHXBWLT-KRZKXXONSA-N 315.369 2.411 0 40 DEAB Cc1ccc(OCCNC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 3075267 UTGNOVQBXRWDFM-HUUCEWRRSA-N 303.358 2.157 0 40 DEAB O=C(NCc1nnc2n1CCC2)Nc1nc2ccccc2s1 10464438 PLCLYVKNSLEKHG-UHFFFAOYSA-N 314.374 2.156 0 40 DEAB CCCCSCC(=O)NCc1nncn1-c1ccccc1 40088217 PFLWCNLFEVJOOI-UHFFFAOYSA-N 304.419 2.417 0 40 DEAB Cc1cc(C)n(CC(=O)NCCOc2c(C)cccc2C)n1 40108414 JWSNVHMPMFSTTA-UHFFFAOYSA-N 301.390 2.312 0 40 DEAB COc1cc2c(cc1CN[C@@H](C)Cn1ccnc1)O[C@@H](C)C2 30909790 OGILDRROQKYULC-STQMWFEESA-N 301.390 2.393 0 40 DEAB O=C(O)CC[C@@H]1CCCCN1C(=O)CCOCC(F)(F)F 50921789 DLBDQRVWGOVCTA-JTQLQIEISA-N 311.300 2.201 0 40 DEAB O=C1[C@H]2N=NN(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 101277654 AVMKASCZLYCTCM-KBPBESRZSA-N 310.288 2.324 0 40 DEAB CN(CC(=O)N(C)C)C[C@@H](O)c1cc(Cl)ccc1Cl 51588507 OGHHAAMUSPVTTG-GFCCVEGCSA-N 305.205 2.047 0 40 DEAB COc1ccc(CNc2c(NCc3ccco3)c(=O)c2=O)cc1 101693507 DRSHSDCYXWBLGP-UHFFFAOYSA-N 312.325 2.108 0 40 DEAB CC1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 90014 ZJGXDWHDMUTXSH-UHFFFAOYSA-N 321.446 2.006 0 40 DEAB Cc1oncc1CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 75876503 VQJGQVUYOIUAHI-UHFFFAOYSA-N 324.384 2.422 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 32895921 DVJXNDSKYJKHRA-GFCCVEGCSA-N 318.398 2.285 0 40 DEAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)CSCC(N)=O)o1 76068528 XSFQQHDBWJBPGX-ZYHUDNBSSA-N 310.419 2.106 0 40 DEAB CC(=O)Nc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2C)ccc1F 76830516 SQEIIZAPTXPAQR-ZANVPECISA-N 314.382 2.251 0 40 DEAB C[C@H](CNc1ccccc1)NC(=O)CNC(=O)c1ccsc1 79100606 WXJJPTIUAAUCKG-GFCCVEGCSA-N 317.414 2.095 0 40 DEAB CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)cc1 2746897 AHSBJGJCIWJIHG-XGUBFFRZSA-N 301.342 2.403 0 40 DEAB CCOC(=O)N[C@H](C(=O)Nc1nnc(C2CC2)s1)C(C)C 32912216 JXPGVWJKVWXZIP-VIFPVBQESA-N 312.395 2.125 0 40 DEAB Cc1cc2nnc(S[C@H](C(N)=O)c3ccccc3)n2c(C)n1 32922521 LZYKFZJNHQLANQ-ZDUSSCGKSA-N 313.386 2.060 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)CCCc1ccccc1 52802746 PCGWLFAGFXSYOQ-CYBMUJFWSA-N 314.437 2.145 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NCCc1ccc(F)cc1 6731884 OECIMCWMCSINEQ-DHMWGJHJSA-N 305.349 2.231 0 40 DEAB CC[C@@]1(C(=O)OC)C[C@H](C(=O)O)[C@H](c2ccc(F)cc2)N1C 8730130 VKNSHFZHNUXUHI-XEZPLFJOSA-N 309.337 2.225 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H](C)Cn1ccnc1 46985304 LSJPJBXWXJQZOP-NEPJUHHUSA-N 320.368 2.480 0 40 DEAB O=C(O)C[C@@H](c1ccc(OCc2ccccc2)cc1)n1cnnn1 12376533 QVCHQAJCIJKGSP-INIZCTEOSA-N 324.340 2.316 0 40 DEAB O=C(NCc1ccccn1)c1cccnc1OCC(F)(F)F 24491527 KJZOQMZSJSNZCO-UHFFFAOYSA-N 311.263 2.348 0 40 DEAB Cc1cc(NC(=O)N(C)C[C@H]2COc3ccccc3O2)no1 24690779 HYRRSRJOULMPOA-NSHDSACASA-N 303.318 2.287 0 40 DEAB Cc1ccc(-c2nc(C(=O)NCc3ccnn3C)cs2)o1 24650232 KEVGGTZHDYVZAN-UHFFFAOYSA-N 302.359 2.375 0 40 DEAB COCCOCc1cccc(NC(=O)NC[C@@H]2CCCO2)c1 47589912 DFNXCPQXEHQYSL-HNNXBMFYSA-N 308.378 2.150 0 40 DEAB O=C(NC1CC1)c1cc(NC(=O)N2CCOCC2)ccc1Cl 47727646 HVQCWEPOTMPDEU-UHFFFAOYSA-N 323.780 2.096 0 40 DEAB O=C(C1CCC1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005107 FNJHKAVHWSWWRJ-OAHLLOKOSA-N 322.430 2.219 0 40 DEAB COc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cn1 12534033 UZYGERPRDLKAHM-UHFFFAOYSA-N 300.314 2.043 0 40 DEAB C[C@H](N[C@H]1CCSc2ccc(Cl)cc21)C(=O)NC(N)=O 25215842 FWDWQIXEDYOIEP-XVKPBYJWSA-N 313.810 2.050 0 40 DEAB NC(=O)c1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c1 25333871 SBFIAWZAOCWBAP-HOTGVXAUSA-N 312.344 2.345 0 40 DEAB CN1C(=O)c2ccc(NCc3nc(-c4ccco4)no3)cc2C1=O 25736890 JGEYEIRZISEQSB-UHFFFAOYSA-N 324.296 2.168 0 40 DEAB C[C@H](NC(=O)NC[C@@H]1COCCO1)c1ccc2c(c1)CCCC2 57082185 GIGQKAQHVLSHLU-SUMWQHHRSA-N 318.417 2.341 0 40 DEAB CC(C)C(=O)O[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 12533090 KOCQQUCLLABBNF-SNVBAGLBSA-N 301.350 2.458 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N2CCN(c3ccccc3)CC2)no1 57352466 NRXCRIFHPDKHRI-CQSZACIVSA-N 314.389 2.132 0 40 DEAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 58930690 TXWAOQLFTGLSNG-UHFFFAOYSA-N 318.417 2.416 0 40 DEAB O=S(=O)(NC[C@@H]1CCCNC1)c1c(Cl)cccc1Cl 44502222 QMZSSSXTBMTYIO-SECBINFHSA-N 323.245 2.271 0 40 DEAB CN(C)S(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 22251179 BERFKZNXSHZPIM-UHFFFAOYSA-N 324.446 2.133 0 40 DEAB Cn1ccnc1[C@@](O)(CC(=O)NC1CCCCC1)C(F)(F)F 44895992 LAELKGONBGGURS-ZDUSSCGKSA-N 319.327 2.009 0 40 DEAB CCCCN1C(=O)/C(=C/c2cc(C(=O)OC)c(C)o2)NC1=S 102395232 SJKKYYUXXWLQAX-WQLSENKSSA-N 322.386 2.232 0 40 DEAB COC(=O)C1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)CC1 100932168 BPRITJYXGXYPLC-ROUUACIJSA-N 321.417 2.184 0 40 DEAB Cc1csc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)n1 3382595 NTTCAWVBJZEFQX-SNVBAGLBSA-N 305.359 2.032 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CO)cc1 3334919 OLGZOJOBXDTRPD-UHFFFAOYSA-N 312.369 2.268 0 40 DEAB CC(C)COC[C@@H](NC(=O)c1ccc(=O)n(C)c1)c1ccco1 69514361 KXKYLUFQCRZPJA-CQSZACIVSA-N 318.373 2.122 0 40 DEAB C[C@@H](C(=O)N1CCC(Cc2ccc(F)cc2)CC1)n1cncn1 69653290 RXRQRMTWUDDQJL-ZDUSSCGKSA-N 316.380 2.460 0 40 DEAB CCCn1nnnc1CNC1(c2ccc(F)cc2)CCOCC1 69972658 AYNBHWGTDRYNRD-UHFFFAOYSA-N 319.384 2.018 0 40 DEAB Nc1nc(Cl)cc(NCC(=O)Nc2ccc(Cl)cc2)n1 49321867 RJAZRPLJTLBXDL-UHFFFAOYSA-N 312.160 2.416 0 40 DEAB Fc1ccc(Cc2nnc3sc(-c4cnccn4)nn23)cc1 49549941 DLRJZALYIWFOFG-UHFFFAOYSA-N 312.333 2.373 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cnc(C)cn1 69815207 DIHSGNHNBYEROC-CVEARBPZSA-N 302.422 2.150 0 40 DEAB Cc1nc(N(CCO)CCO)c2oc3ccc(Cl)cc3c2n1 5278083 YSGJREVDNIRTHI-UHFFFAOYSA-N 321.764 2.129 0 40 DEAB O=C1NCC2(CCN(C(=O)c3scc4c3CCCC4)CC2)O1 65405530 BGPPLZUPDXMGRL-UHFFFAOYSA-N 320.414 2.342 0 40 DEAB COc1c(CNCCC(=O)NC2CCCC2)c(C(C)C)nn1C 65566896 URMILXNHGNGTIR-UHFFFAOYSA-N 322.453 2.091 0 40 DEAB COc1cccc(/C=C/C(=O)NCCc2nnc3ccccn23)c1 5489154 UPPQZTWUJJTMFB-CMDGGOBGSA-N 322.368 2.110 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(N(C)C)c2)C1 5660275 SIFVVVPUZGRLSW-KBPBESRZSA-N 318.417 2.414 0 40 DEAB NC(=O)c1ccccc1OCC(=O)N1CCCc2ccccc21 6933631 UXMVTMQRUJEKDD-UHFFFAOYSA-N 310.353 2.144 0 40 DEAB Cc1ccc(C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1F 71186407 OYJRACXAYWURCD-OAHLLOKOSA-N 308.397 2.317 0 40 DEAB COc1ccc(CCNC(=O)[C@@H](C)Sc2nncs2)cc1 7816229 ZCZNRSSVFSYHJU-SNVBAGLBSA-N 323.443 2.386 0 40 DEAB COCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8294413 ZNVCJOHYCTXNSE-UHFFFAOYSA-N 305.161 2.037 0 40 DEAB C[C@H](NC(=O)NCc1ccccc1F)C(=O)N1CCCC[C@@H]1C 69414331 OMCHOWAWQOCZGJ-STQMWFEESA-N 321.396 2.414 0 40 DEAB CC(C)[C@H](O)CNC(=O)[C@@H](C)n1ccnc1-c1ccccc1 96484717 WKRTVVPHZKADPP-UKRRQHHQSA-N 301.390 2.244 0 40 DEAB O=C([C@H]1Cc2cccc(F)c2O1)N1CCC[C@@H](c2ccn[nH]2)C1 72297137 FRQWWWUJJJTGRQ-IUODEOHRSA-N 315.348 2.259 0 40 DEAB O=C(NC1(C(=O)O)CCCC1)c1ccc(NC(=O)C2CC2)cc1 72277035 ADYCHXBSSKFNKE-UHFFFAOYSA-N 316.357 2.162 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCCO3)C2)no1 72275536 ZKVALMDVBIBIEB-KGLIPLIRSA-N 307.394 2.433 0 40 DEAB Cc1ccsc1C(=O)N1CCN(C[C@H]2CCCCN2C)CC1 71885835 CXUMNRPNPQZEAC-OAHLLOKOSA-N 321.490 2.299 0 40 DEAB C[C@@H](OCC1CC1)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 83888768 FRRIILVKZSGETP-MFKMUULPSA-N 305.378 2.426 0 40 DEAB CN(C)c1ccccc1CSc1nnnn1C[C@H]1CCCO1 71921919 NVLDRWMKLHCVGL-CYBMUJFWSA-N 319.434 2.210 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@H]1CCN1C(=O)c1ccccc1 97134193 YHIMYCUUXTUPHH-MRXNPFEDSA-N 312.344 2.357 0 40 DEAB Cc1nccn1CCCCNC(=O)NC1Cc2ccccc2C1 97140234 BTARBBOFNCYPJD-UHFFFAOYSA-N 312.417 2.438 0 40 DEAB COCCN(Cc1ccccn1)C(=O)c1cc(F)c(O)c(F)c1 97140446 KEBHGMBPUYSVKX-UHFFFAOYSA-N 322.311 2.354 0 40 DEAB COC[C@](C)(O)CNC(=O)c1ccc(OC2CCCC2)cc1 72304521 IUMQQGZCLXOQTJ-QGZVFWFLSA-N 307.390 2.135 0 40 DEAB CCCOc1ccc(CN2C(=O)N[C@](C)(CCC)C2=O)cn1 97045846 ORJGCMMECRFJHO-MRXNPFEDSA-N 305.378 2.481 0 40 DEAB COc1ccc(C(N)=O)cc1NCCOc1cccc(F)c1 72301932 WLMLOXFFKKFNRE-UHFFFAOYSA-N 304.321 2.424 0 40 DEAB Cn1cc(CCNC(=O)NCc2ccc(F)c(Cl)c2)cn1 84318385 NIAZMJXYGPJAEL-UHFFFAOYSA-N 310.760 2.255 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@@H]2COCC[C@H]21 95425925 JJIDYAIMSOUGBV-TZMCWYRMSA-N 319.386 2.016 0 40 DEAB Cc1ccccc1[C@@H](O)CNS(=O)(=O)c1ccccc1F 95433118 IDORJSSNFGHVDF-AWEZNQCLSA-N 309.362 2.146 0 40 DEAB CCC(=O)NCC(=O)Nc1cc(CCc2ccccc2)ccn1 95964164 OPEZEFXFXALPAK-UHFFFAOYSA-N 311.385 2.332 0 40 DEAB Cc1cnn(CCC(=O)OC2CCN(C(=O)OC(C)C)CC2)c1 95958914 XGCXYLGYRWJPMV-UHFFFAOYSA-N 323.393 2.134 0 40 DEAB Cn1cc(C(=O)NC[C@@H](O)c2cc3ccccc3s2)cn1 89755221 ZOJFWRGZECLLQL-GFCCVEGCSA-N 301.371 2.098 0 40 DEAB O=C(CCc1nc2cc(Cl)ccc2s1)Nc1nnn[nH]1 89807158 VZQGNNNREMNVQP-UHFFFAOYSA-N 308.754 2.034 0 40 DEAB CC(C)(C)c1nc(CNC(=O)NC[C@]2(C)CCCS2)no1 89919387 NVAUTIMRCBYGRP-AWEZNQCLSA-N 312.439 2.452 0 40 DEAB CCc1nc([C@H]2CCCN2c2nn3cc(C)nc3s2)no1 75573007 OLGLBDAXJSIYEK-SECBINFHSA-N 304.379 2.386 0 40 DEAB Cn1c(=O)n(C)c2cc(/C=C3\SC(=S)N=C3O)ccc21 39237437 TVNMPTMSCVSYQA-POHAHGRESA-N 305.384 2.206 0 40 DEAB C[C@H](NC(=O)N1C[C@@H](CO)O[C@H](C)C1)c1ccc(Cl)s1 188624315 YXCVAFYDOISQDH-UTLUCORTSA-N 318.826 2.254 0 40 DEAB c1ccc(Cc2noc(CSc3nc4ncccn4n3)n2)cc1 31654758 FADQAXFRSCRMBA-UHFFFAOYSA-N 324.369 2.390 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217427482 JJAMFGQHRVCMKE-VIFPVBQESA-N 312.391 2.036 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCCN([C@@H](C(=O)O)c2ccco2)C1 215747875 PQGTXKSAXBQQSL-DGCLKSJQSA-N 324.377 2.394 0 40 DEAB O=C(CC1CCN(c2cccnn2)CC1)Nc1nccs1 72366451 BNXRFAOPVBUQMU-UHFFFAOYSA-N 303.391 2.178 0 40 DEAB COC(=O)Cc1ccc(-c2nn3cnnc3s2)cc1Cl 41126918 MVBZRLPMPKKVPO-UHFFFAOYSA-N 308.750 2.222 0 40 DEAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCc2ccccc2C1 225707353 XQICKERRFWGIIW-KRWDZBQOSA-N 324.380 2.448 0 40 DEAB Cc1occc1S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F 131425360 FCYYHGJYLKCOPM-ZETCQYMHSA-N 310.297 2.457 0 40 DEAB COCCOCc1cccc(NC(=O)N2CCO[C@H](C)C2)c1 47591083 WZBSSWHYWONETB-CYBMUJFWSA-N 308.378 2.102 0 40 DEAB CNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Br 227153167 BKFAXVUYTBKBDZ-SECBINFHSA-N 324.178 2.148 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 61649488 XODXFBKZUZSOQW-UONOGXRCSA-N 313.401 2.069 0 40 DEAB O=C(O)CC1(NC(=O)c2cc(Cl)c3c(c2)OCO3)CCC1 94290714 DWYZAOPILKJYMO-UHFFFAOYSA-N 311.721 2.196 0 40 DEAB CCOC[C@@H]1CCC2(CCN(C(=O)c3ccncc3)CC2)N1C 96217434 OBEAOZIUDXOAPC-INIZCTEOSA-N 317.433 2.187 0 40 DEAB Cc1occc1C(=O)N1CCC[C@@]2(C[C@@H](n3ccnc3)CO2)C1 96048573 DYCOFRSDVSPMDT-RHSMWYFYSA-N 315.373 2.421 0 40 DEAB O=C1CCc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2N1 96191695 VDXNAWZSCMHEQV-OLZOCXBDSA-N 316.357 2.401 0 40 DEAB COc1cccc(N2C[C@@]3(CCN(c4cnccn4)C3)CC2=O)c1 96238925 ZRYJIKUNWYEKKW-SFHVURJKSA-N 324.384 2.119 0 40 DEAB CC[C@H](SCc1noc(-c2ccc(OC)cc2)n1)C(N)=O 96403419 BVOFCZFUFAJDQA-NSHDSACASA-N 307.375 2.242 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)c1ccc(C(F)(F)F)cc1 96442194 HNXYGFREBNWILT-LLVKDONJSA-N 316.279 2.405 0 40 DEAB CCS(=O)(=O)NCCCNc1ccc2ccc(F)cc2n1 96429316 XAPYIRBBEWBCDQ-UHFFFAOYSA-N 311.382 2.115 0 40 DEAB CC(=O)N1C[C@H](C)CN(C(=O)c2cnsn2)c2ccccc21 96432621 FZMWYPQYUSOSQP-JTQLQIEISA-N 316.386 2.188 0 40 DEAB CCn1nc(C)c(CNC(=O)N[C@H]2CCCC[C@H]2OC)c1C 96439898 UXLXRMKWTZEMHU-LSDHHAIUSA-N 308.426 2.277 0 40 DEAB Cc1ccc(N2CC[C@@H](NC(=O)Nc3nccs3)C2=O)cc1 96433649 JEJZVLBVSORXNS-GFCCVEGCSA-N 316.386 2.379 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(Cc4nccn4C)C3)CC2=O)cc1 96238481 GGELFERJYYIWCV-IBGZPJMESA-N 324.428 2.358 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053607 MAIGAOCNOMEOAB-HIFRSBDPSA-N 312.394 2.483 0 40 DEAB Cn1cc(CNC(=O)N2CC=C(c3cccs3)CC2)cn1 96410466 DCGNAFNYCYQLOH-UHFFFAOYSA-N 302.403 2.481 0 40 DEAB CN(C)C(=O)c1cccc(CCNC(=O)/C=C/c2cccnc2)c1 96423141 FEYHLARBXZVMGZ-CMDGGOBGSA-N 323.396 2.156 0 40 DEAB Cc1nc(-c2cccc(C(=O)NCc3nc(C)c(C)o3)c2)n[nH]1 96446773 PDMRKBXGXDRIAL-UHFFFAOYSA-N 311.345 2.315 0 40 DEAB O=C1NC2(CCN(Cc3ccoc3)CC2)C[C@@H]1c1ccncc1 96199536 OEMYDUDZRPTYTR-MRXNPFEDSA-N 311.385 2.313 0 40 DEAB CCS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@H]1c1cccc(Cl)c1 242581673 OBDOWLZLEZLOMA-VWYCJHECSA-N 303.836 2.143 0 40 DEAB Cc1ccc(CN2CC3(C[C@@H](Oc4cnccn4)CCO3)C2)o1 248121198 VHDSLJNSIPZYDD-AWEZNQCLSA-N 315.373 2.190 0 40 DEAB O=C(c1cc(F)ccc1F)N1CCC[C@@H](c2ccnc(O)n2)C1 257252230 JUADJTILPTWOBZ-SNVBAGLBSA-N 319.311 2.480 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 257335783 YLVVUOCPXDYZEP-CQSZACIVSA-N 324.388 2.355 0 40 DEAB CCN(C(=O)c1coc(C)n1)[C@H]1CCOC2(CCN(C)CC2)C1 257331472 XSZVGBZJZLNELR-AWEZNQCLSA-N 321.421 2.089 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3nccc3C)C2)n1 257261306 LGQQIZJNWLXPJO-CQSZACIVSA-N 301.394 2.019 0 40 DEAB Cn1ccc(C(=O)N2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)n1 257332847 XYYVZHUCBAPFPT-CYBMUJFWSA-N 323.400 2.391 0 40 DEAB O=C(CCc1cc(Cl)no1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257328968 XHUZBXXVGLFTMI-NSHDSACASA-N 322.796 2.465 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2ccnc(-c3nccs3)c2)C1 257262067 LJXJCJTUTFKDLG-GFCCVEGCSA-N 323.443 2.344 0 40 DEAB O=C(O)[C@@H]1CC12CCN(C(=O)c1ccnn1C1CCCC1)CC2 263287772 VJNZMMDEBDDZRH-ZDUSSCGKSA-N 317.389 2.325 0 40 DEAB CC(C)n1cnc(S(=O)(=O)Nc2ccccc2/C=C/CO)c1 585140598 HISZETZENBNBRO-FNORWQNLSA-N 321.402 2.270 0 40 DEAB COc1ccc(NC(=O)c2ccn(C)c(=O)c2)c2cccnc12 56306347 CEHGDFQXLYVGIJ-UHFFFAOYSA-N 309.325 2.194 0 40 DEAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@@H]1c1ccccn1 55523888 KNQGAVFJJHYIDU-OAHLLOKOSA-N 320.356 2.035 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)Nc2cccnc2)C[C@@H](C)O1 54640759 RAJANDBIVOAWPP-CHWSQXEVSA-N 306.410 2.091 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)N1CCn2c(C)nnc2C1 69459213 UXJICXIDPRYDIW-UHFFFAOYSA-N 305.407 2.131 0 40 DEAB CN1C[C@@H](NC(=O)c2cc3ccccc3c(Cl)n2)CCC1=O 77900923 BMVUHFIQEFXSKI-NSHDSACASA-N 317.776 2.239 0 40 DEAB CCc1ccc(C(C)(C)CNC(=O)NCc2ncnn2C)cc1 80158452 GVEKCCMPFAOZST-UHFFFAOYSA-N 315.421 2.155 0 40 DEAB CN(C)Cc1ccccc1CN1C(=O)N[C@H](C(C)(C)C)C1=O 95464568 GWXKBXIKOFCVGK-AWEZNQCLSA-N 303.406 2.215 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NCc1ncnn1C 189957692 LZCWFFRJIOTZRU-GJZGRUSLSA-N 313.449 2.061 0 40 DEAB COc1cccc(C(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)c1 13435021 XIZOMRFIPNVRDL-HNNXBMFYSA-N 313.309 2.188 0 40 DEAB CCN1CCN(c2nc(-c3ccccc3Cl)cc(=O)[nH]2)CC1 14606952 LPWCIZMDZOWMBB-UHFFFAOYSA-N 318.808 2.232 0 40 DEAB O=C(c1ccn(C(F)F)n1)N1CCCN(c2ccccn2)CC1 19402100 FPZPQVGFJUFURM-UHFFFAOYSA-N 321.331 2.026 0 40 DEAB C[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1ccccn1 19658195 OPJLSTSFDSBZOE-LBPRGKRZSA-N 307.353 2.425 0 40 DEAB Cc1ccc(C)c(Nc2nc(NCCO)nc3nccnc23)c1 9074957 MGLZDOQLROVPQE-UHFFFAOYSA-N 310.361 2.184 0 40 DEAB CC[C@@H]1S[C@H](CC)C(=O)N(CC(=O)Nc2ccccc2)C1=O 17269372 XCLCFNIWIOKFTR-BETUJISGSA-N 320.414 2.284 0 40 DEAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(CC2CCCCC2)C1 2055771708 RVCWUAONSYHIMO-GOSISDBHSA-N 318.465 2.343 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)c3ccco3)C[C@H]2C(=O)O)cc1 12181328 IQPYHMXGKNHFQJ-UONOGXRCSA-N 315.325 2.229 0 40 DEAB Cc1cn(CC(=O)N[C@H](C(N)=O)c2ccccc2)c2ccccc12 50297472 UENDANXVPQPGQD-SFHVURJKSA-N 321.380 2.293 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)cc1 50444907 VJJMWRZTIFXOFP-HNNXBMFYSA-N 300.402 2.055 0 40 DEAB CN(C)CC(C)(C)CNC(=O)CCc1nc(C(C)(C)C)no1 40516091 GWHUZSPLRIEGHE-UHFFFAOYSA-N 310.442 2.004 0 40 DEAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 20715029 PZCDCGVKWSLMTF-JTQLQIEISA-N 319.752 2.016 0 40 DEAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@H]2C(=O)O 101783337 NFGDPQAKJHWENP-XOUADPBQSA-N 314.385 2.391 0 40 DEAB CN(C)[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 96404213 XJINOUWXAWTJIN-LLVKDONJSA-N 312.211 2.010 0 40 DEAB Cc1cccnc1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 170553 IOLBMBBSJAUMQT-NSHDSACASA-N 309.325 2.013 0 40 DEAB COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1-n1nnnc1C 69633063 VVBNTUZYNUSWAM-GFCCVEGCSA-N 313.361 2.274 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@H]2CCCC[C@H]21 46494460 JKUYJGFFMQMDQX-NVXWUHKLSA-N 301.386 2.334 0 40 DEAB Cc1nnc(CN2CC[C@H](C)N(Cc3ccccc3)CC2)o1 76119851 UEZYSQYOMGMJRX-AWEZNQCLSA-N 300.406 2.474 0 40 DEAB CN(C)C(=S)Sc1nsc(SC(=S)N(C)C)n1 1693792 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0 40 DEAB O=C1CCCN1CC1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 104194111 VZVGOQDSWKIXAR-HUUCEWRRSA-N 304.434 2.284 0 40 DEAB Cc1ccc(CN(CCC(=O)NC(N)=O)Cc2ccco2)s1 53087375 DWUIGNHLBMUJOL-UHFFFAOYSA-N 321.402 2.237 0 40 DEAB O=C(CCOCC(F)(F)F)N1CCCC[C@@H]1Cn1cccn1 69976771 SUEYNTQYLADUQE-GFCCVEGCSA-N 319.327 2.233 0 40 DEAB CCCC[C@H](CC)CSc1nc2c(=O)n(C)c(=O)n(C)c2[nH]1 8616357 CYBXBTSNNKBBDA-JTQLQIEISA-N 324.450 2.269 0 40 DEAB Cc1cn2nc(N3CCC[C@H](c4noc(C)n4)C3)sc2n1 72279201 ANZOLNHZAMHACW-JTQLQIEISA-N 304.379 2.175 0 40 DEAB C[C@@H]1CN(C(=O)NCc2ccc(-n3cccn3)cc2)C[C@@H](C)O1 46901738 BJBRHCLWQFIPQX-ZIAGYGMSSA-N 314.389 2.191 0 40 DEAB C[C@@H](NC(=O)NCCc1ccccn1)c1ccc2c(c1)CC(=O)N2 42962946 WFRRIYOHIKXMEJ-GFCCVEGCSA-N 324.384 2.179 0 40 DEAB Cc1nccn1CCCNS(=O)(=O)c1ccc(Cl)s1 55266210 BLYIMCCHCUGGBL-UHFFFAOYSA-N 319.839 2.275 0 40 DEAB O=C(NCc1ccccc1)N1CCC(C(=O)N2CCCC2)CC1 25117396 UPOHEJPOMLFQIH-UHFFFAOYSA-N 315.417 2.231 0 40 DEAB CC(C)CNC(=O)c1cc(Cl)ccc1NS(C)(=O)=O 57120816 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CCOC(=O)c1ncn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 309693291 NDYWMPIHXVXMPS-NSHDSACASA-N 324.381 2.027 0 40 DEAB CNC(=O)NCC(=O)c1cc(C)n(Cc2cccs2)c1C 48333902 XYGNUTKZUVSOHA-UHFFFAOYSA-N 305.403 2.326 0 40 DEAB COc1ccc(NC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 12921643 UKBKFJISCCJFQZ-INIZCTEOSA-N 321.421 2.174 0 40 DEAB Cc1c[nH]c(=O)n1-c1ccc(C(=O)OCCOC(C)(C)C)cc1 63997260 LCIRNMPZKWVWOS-UHFFFAOYSA-N 318.373 2.446 0 40 DEAB CCCCN(C)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 70738571 YWDMZFAKVDQDNO-ZDUSSCGKSA-N 308.422 2.440 0 40 DEAB O=C(NO[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 65475248 WLLPAAYBYIWUPA-GJZGRUSLSA-N 324.421 2.132 0 40 DEAB CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Br)CC1 65586409 LPOBDSBUMQVZID-QWHCGFSZSA-N 323.234 2.327 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)Sc1nc2cc(C)ccc2[nH]1 6567144 AGVKMBVWBDLNJG-SECBINFHSA-N 306.391 2.198 0 40 DEAB CCOC(=O)c1csc(NC(=O)c2cn3ccccc3n2)n1 6508579 ZXBUTWIUHLSPLH-UHFFFAOYSA-N 316.342 2.220 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1cccc(C(=O)NC2CC2)c1 9112378 IZOVHJPIWJBAJM-UHFFFAOYSA-N 313.357 2.365 0 40 DEAB O=C1C[C@H](C(=O)NCc2cccnc2)Oc2ccc(Cl)cc21 15083885 RZPXFKZBDFMEKJ-OAHLLOKOSA-N 316.744 2.385 0 40 DEAB COc1ccnc(N2CCN(c3ccc(C(C)=O)cc3)CC2)n1 15114530 RXTKLQJKIMXYBH-UHFFFAOYSA-N 312.373 2.014 0 40 DEAB Cc1ccc([C@]2(C)NC(=O)N(CCc3ccncc3)C2=O)cc1 7034523 NGUCEDMDTFASMQ-SFHVURJKSA-N 309.369 2.400 0 40 DEAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2ccccc21 68155920 IWYRUHUGVAANNB-MFKMUULPSA-N 312.373 2.032 0 40 DEAB O=S1(=O)CCN2N=C(SCc3cccs3)SC2=N1 7777889 CZNODIYCJVSTSE-UHFFFAOYSA-N 319.458 2.001 0 40 DEAB CCOC(=O)c1ccoc1COC(=O)c1ccc(OC)nc1 16574829 HCGLMFPTUFZGOO-UHFFFAOYSA-N 305.286 2.217 0 40 DEAB CCc1noc([C@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)n1 69323903 LXUQAYYQLWFKDD-LBPRGKRZSA-N 319.409 2.116 0 40 DEAB CCSc1ccc([C@@H](C)NC(=O)NCC(=O)NC2CC2)cc1 69568709 DTEQHVPFGNEFRJ-LLVKDONJSA-N 321.446 2.437 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)CN(CCO)Cc1ccsc1 69592102 HGOXSPZGZFBXHS-UKRRQHHQSA-N 310.463 2.237 0 40 DEAB O=C(Nc1cccc(Cn2cncn2)c1)NC1CCSCC1 69594318 VLSCWJNJIBKEIF-UHFFFAOYSA-N 317.418 2.344 0 40 DEAB COC(=O)c1ccc(N[C@@H](c2ccccc2)c2nccn2C)nn1 69630050 MSDKTGQBLOUACN-HNNXBMFYSA-N 323.356 2.198 0 40 DEAB Cc1ccc(CN(C)C)cc1NS(=O)(=O)c1c(C)n[nH]c1C 97103182 WGCBRESDFZIJIC-UHFFFAOYSA-N 322.434 2.197 0 40 DEAB CCc1nn(C)c(OC)c1CNc1nnc(C(F)(F)F)s1 97114451 HVXQZYUTFUMLPH-UHFFFAOYSA-N 321.328 2.474 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 71890994 WXQYPRSCHJZODS-CYBMUJFWSA-N 322.368 2.271 0 40 DEAB CCCN(C)C[C@H]1CCN(C(=O)Nc2cccnc2OC)C1 72304802 PBLMXFKXVFOMDQ-CYBMUJFWSA-N 306.410 2.286 0 40 DEAB O=C(Nc1ccccc1)N(CCO)CCOCC(F)(F)F 71900741 XFEYBEQGNRGLCI-UHFFFAOYSA-N 306.284 2.092 0 40 DEAB CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CN1CCOC1=O 95399717 FAKDGYWGSWJBMD-ZBFHGGJFSA-N 318.417 2.458 0 40 DEAB C[C@@H](Cc1ccc(O)cc1)NS(=O)(=O)Cc1ccccc1 95399827 MHXAMINAWFQFLS-ZDUSSCGKSA-N 305.399 2.443 0 40 DEAB CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(CO)o1 84736339 DSQLLZBVEGTICX-XJKSGUPXSA-N 308.422 2.145 0 40 DEAB O=C1CCCN1C[C@H](O)CN1CC2(CCCC2)c2ccccc21 95432257 JPHMWOSOVONSBO-HNNXBMFYSA-N 314.429 2.302 0 40 DEAB CN(CCOc1cccc(F)c1)c1nccn(C2CC2)c1=O 95464259 PEPOAOMPCRGKRE-UHFFFAOYSA-N 303.337 2.233 0 40 DEAB COCCC(=O)N[C@H](C)[C@H](O)c1ccc(Br)cc1 95429956 DCHVHNPDBGCWNY-RNCFNFMXSA-N 316.195 2.024 0 40 DEAB CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]2O)cc1C 84810480 KNADUDNVSGZTPY-CABCVRRESA-N 306.406 2.354 0 40 DEAB C[C@H](C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1)S(C)(=O)=O 95958953 MVMBPYWVLSERHT-YUELXQCFSA-N 309.431 2.262 0 40 DEAB NC(=O)c1cccc(CN[C@@H](c2ccccc2)c2ncc[nH]2)c1 95940769 YHUIZQYMTYFSDH-INIZCTEOSA-N 306.369 2.388 0 40 DEAB Cc1ncccc1C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 95991648 CYVJZCNFMCJDPL-TVIZTDCDSA-N 304.390 2.442 0 40 DEAB COC(=O)c1cccc(NC(=O)CCc2c(C)nn(C)c2C)c1 9954891 ODTQDDDMKBYDGF-UHFFFAOYSA-N 315.373 2.395 0 40 DEAB Cc1cc(C)c(C(=O)N2CCN(C)c3ccccc3C2)c(=O)[nH]1 89568519 HZRWOQDGRMADEH-UHFFFAOYSA-N 311.385 2.084 0 40 DEAB Cc1cc(=O)c(C(=O)N2C[C@@H]3CCC[C@H]3C2)nn1-c1ccccc1 89568462 HBUNHDYQGONOCK-GJZGRUSLSA-N 323.396 2.413 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@@H](O)C1CC1 89612023 UJJNOSGEWITYGZ-SWLSCSKDSA-N 306.406 2.477 0 40 DEAB O=C(NCCc1ccc(F)cc1)C1(N2CCOCC2)CCCC1 75612106 BVFRGRJDEZNHBK-UHFFFAOYSA-N 320.408 2.129 0 40 DEAB CC(C)(C)c1noc(CN2CCN(c3ccc(O)cc3)CC2)n1 23016545 HRWLPXMFEXWMDS-UHFFFAOYSA-N 316.405 2.395 0 40 DEAB O=C1c2cccn2[C@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccn1 306144906 ZRXGLSYBIKUZQH-ZWKOTPCHSA-N 322.412 2.174 0 40 DEAB COc1ccc(NC(=O)CNCc2ccc3c(c2)OCO3)cc1 35311505 SFMFQWQCBGTQPY-UHFFFAOYSA-N 314.341 2.152 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)o1 72239782 AOTZXMIAWJPGQL-AWEZNQCLSA-N 318.398 2.457 0 40 DEAB CC(C)(C)c1cc(CC2(NC3CCC(CO)CC3)COC2)no1 72321914 UQBOTIUWMHIONT-UHFFFAOYSA-N 322.449 2.424 0 40 DEAB biogenic,in-vitro O=S(=O)(c1cccnc1)N1CCC[C@@H]1COc1ccccc1 79097867 DVBPCZPIRQXGIP-CQSZACIVSA-N 318.398 2.314 0 40 DEAB Cc1cccc(Nc2cccc([C@@H]3CCCN3CC(N)=O)n2)n1 72383050 LEZNDOJSBDAUDF-AWEZNQCLSA-N 311.389 2.151 0 40 DEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)O)[C@]1(C2)NC(=O)c2ccccc2N1 72326549 AZPLWPZLMZHDCB-LNNXVMOYSA-N 300.358 2.449 0 40 DEAB Cc1cccc(C(=O)N2CC(c3nc(-c4ncccn4)no3)C2)c1 49482875 FYKJEXPFXJOQMV-UHFFFAOYSA-N 321.340 2.075 0 40 DEAB Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2cc[nH]n2)c(C)o1 80323438 ITYGLKDCEZRYNN-ZDUSSCGKSA-N 318.377 2.403 0 40 DEAB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CC 224553301 VMIQJGZTIGPSQX-HNNXBMFYSA-N 306.406 2.349 0 40 DEAB CNC(=O)COc1ccc(CNc2ncccc2Cl)cc1 88702162 FXXBJLHIWIVSNN-UHFFFAOYSA-N 305.765 2.472 0 40 DEAB Cc1nc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)no1 193977741 RMOQZUKKVGAMDB-GHMZBOCLSA-N 307.375 2.168 0 40 DEAB CC(=O)N1CC[C@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 82354662 GUJKUEJOICYMAD-LBPRGKRZSA-N 300.280 2.056 0 40 DEAB CCCOc1ccc(CNC(=O)[C@@H]2CCN(C(C)=O)C2)c(C)c1 190085616 DNKMHKIOOQLNQN-MRXNPFEDSA-N 318.417 2.268 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCCn1ccnc1C 96461683 UKUQJVXJELDXBR-LSDHHAIUSA-N 321.421 2.210 0 40 DEAB CCc1ccc(CNC(=O)CN2CCO[C@@H]3CCC[C@H]32)s1 230082203 TXEZUVRLPRDIKO-HUUCEWRRSA-N 308.447 2.180 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)Nc3cc(C)n(C)n3)CCO2)o1 96484534 YONCWUAMYWZTEV-ZDUSSCGKSA-N 304.350 2.235 0 40 DEAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cccn1C)C2 96039356 OSYZYJLALBXBMR-RDJZCZTQSA-N 306.406 2.073 0 40 DEAB COC(=O)c1ccc2c(c1)nc1n2[C@@H](CNC2CCC2)COC1 96112742 UJTRCGCZJCRJEC-ZDUSSCGKSA-N 315.373 2.036 0 40 DEAB biogenic,in-vitro CCO[C@H]1C[C@H](N(C)C(=O)c2c(C)nn3cccnc23)C1(C)C 96419320 PUQHWDWUZMOWKJ-STQMWFEESA-N 316.405 2.313 0 40 DEAB COC(=O)c1ccoc1Cn1cc(NC(=O)C(C)(C)C)cn1 96435621 OYTDQUAIMWJSHE-UHFFFAOYSA-N 305.334 2.296 0 40 DEAB NC(=O)[C@@H]1CN(Cc2csc3c(Cl)cccc23)CCO1 95409582 HXWUNMQIKQATOQ-LBPRGKRZSA-N 310.806 2.241 0 40 DEAB Cc1ccc(C(=O)N2C[C@@H]3CCN(c4cccnc4)C[C@@H]3C2)cn1 96081466 PRPSOXSHEOAWQJ-DLBZAZTESA-N 322.412 2.384 0 40 DEAB CCc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@H]3C)o1 96201502 NUSBBEJMOQTPHP-ZDUSSCGKSA-N 306.406 2.054 0 40 DEAB C[C@@H](CC(=O)c1ccco1)NC(=O)c1cc(N(C)C)ccn1 97101923 INQDXVSYWZRHHO-NSHDSACASA-N 301.346 2.132 0 40 DEAB Cc1cn(C)c([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257203829 ARVUUPNRRNITPU-FDMDGMSGSA-N 311.385 2.342 0 40 DEAB CN(C)c1nccc(C2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 257297293 RGRGIZSWCXRVAB-CVEARBPZSA-N 304.438 2.026 0 40 DEAB O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2cnccn2)C1 257254889 KFDPWJGCLAIYCR-KRWDZBQOSA-N 320.352 2.239 0 40 DEAB Cc1ncsc1CN1CCO[C@H](CCc2ccnc(N)c2)C1 257319824 VUFBNSBHZYUTEW-CQSZACIVSA-N 318.446 2.262 0 40 DEAB Cc1cc2nccc(C3CCN(Cc4cnn(C)c4C)CC3)n2n1 257247951 JBHTZZMGYLOMPU-UHFFFAOYSA-N 324.432 2.459 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCn2nnc3ccccc32)n1 257339510 ZCAPKHWUZBSGQX-HNNXBMFYSA-N 324.388 2.217 0 40 DEAB O=C(O)c1cnc(N2CCSCC2)nc1-c1ccccc1 169751148 VYHXVBPGQYZQGI-UHFFFAOYSA-N 301.371 2.395 0 40 DEAB O=C(CSc1nnc2n1CCCCC2)Nc1ccc(O)cc1 57881444 SDOVQBHSPCBOTE-UHFFFAOYSA-N 318.402 2.441 0 40 DEAB O=C(Nc1ccccn1)[C@H]1CCCN1C(=O)OCC(F)(F)F 68722197 PCSBGSGMHGBJEG-SECBINFHSA-N 317.267 2.183 0 40 DEAB O=C(Nc1c(F)cccc1F)N1CCOC2(CCOCC2)C1 96097113 JRWJCZIFGPJLNI-UHFFFAOYSA-N 312.316 2.378 0 40 DEAB Cc1nnc(SCC(=O)Nc2ccc3ccccc3c2)n1N 5555055 QBOMJEJQUZHEOZ-UHFFFAOYSA-N 313.386 2.184 0 40 DEAB C[C@@H](CNC(=O)c1cc(C2CCCCC2)no1)n1cncn1 12201538 VCXBOKYKSZBFTG-NSHDSACASA-N 303.366 2.305 0 40 DEAB Cc1ccc2[nH]cc(NC(=O)NC[C@@H]3CCCO3)c(=O)c2c1 13565927 WCLIUJWWSKWBJA-NSHDSACASA-N 301.346 2.137 0 40 DEAB Nc1nc(N)nc(CSCc2cccc(C(F)(F)F)c2)n1 14016460 WLVHMDKLKKSXCD-UHFFFAOYSA-N 315.324 2.488 0 40 DEAB O=C(CC1CCCC1)N1CCC[C@@H]1c1ncc2c(n1)CCNC2 19292342 QUVVBGFQLNKFON-MRXNPFEDSA-N 314.433 2.366 0 40 DEAB Cc1cc(N2C[C@@H]3CCCC[C@]3(CO)C2)n2nc(C)cc2n1 1888853955 HDLLRWVCIGMLTI-WMLDXEAASA-N 300.406 2.335 0 40 DEAB O[C@@H](COCc1ccco1)Cn1cnc2cc(F)c(F)cc21 25256309 DBVZROMWXXAORV-SNVBAGLBSA-N 308.284 2.485 0 40 DEAB Cc1nsc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 1776008282 BOWWFEWUNAYPOW-HUUCEWRRSA-N 300.431 2.415 0 40 DEAB CC(=O)c1s/c(=N\c2ccccc2)n(N2CCOCC2)c1C 4585545 FIBFPWWNAABEND-MSUUIHNZSA-N 317.414 2.261 0 40 DEAB COc1cc(-c2nc(CC(=O)O)cs2)cc(OC)c1OC 5592346 AWBVQATVMBXAEM-UHFFFAOYSA-N 309.343 2.463 0 40 DEAB O=C(C1CC1)N1CCO[C@@]2(CCCN(c3cccc(F)c3)C2)C1 2055824365 JEAGAWFEUYYNTG-GOSISDBHSA-N 318.392 2.434 0 40 DEAB CCOc1ncccc1CNC(=O)c1c(C)nn(C)c1Cl 30308106 PQRCOHPLTFQFQP-UHFFFAOYSA-N 308.769 2.106 0 40 DEAB C[C@@H](CN1CCCC1=O)NCc1cc(Cl)c2c(c1)OCCO2 40153163 XYSJOSYXJUHLKE-NSHDSACASA-N 324.808 2.212 0 40 DEAB COC[C@H](C)NC(=O)c1cccc(OCc2cscn2)c1 40474275 VJYVWLIYWLULQJ-NSHDSACASA-N 306.387 2.487 0 40 DEAB CCCCCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 31735856 PXNCARQWWUODDM-NSHDSACASA-N 305.357 2.347 0 40 DEAB Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(O)C3)cnn1-c1ccccc1 101179104 HLZGJPJYHUNQPJ-GJZGRUSLSA-N 311.385 2.309 0 40 DEAB CC[C@@H](C)NC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C 387244 FOYLGCGATQLGQW-LLVKDONJSA-N 312.373 2.023 0 40 DEAB Cc1c(CCC(=O)Nc2ccc(Br)cn2)cnn1C 32610284 CMYOMOCPXTYDAE-UHFFFAOYSA-N 323.194 2.457 0 40 DEAB COc1cc(Nc2ncnc3n[nH]cc23)cc(OC)c1OC 11856429 MEALRIHLPMHELM-UHFFFAOYSA-N 301.306 2.122 0 40 DEAB CC(C)CN1C[C@H](C(=O)N2c3ccccc3C[C@@H]2C)CC1=O 29785509 KLOJKODAPHUBMI-DZGCQCFKSA-N 300.402 2.469 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)CN(C)C1CCN(C)CC1 2632819 ZYKLQNXERKHGAV-MRXNPFEDSA-N 317.477 2.150 0 40 DEAB CCC1=NN(C(=O)Cc2ccccc2)[C@](O)(c2ccncc2)C1 871736 UUBFITKUDCIYOB-GOSISDBHSA-N 309.369 2.468 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1C 76378823 XZDVWFXOESVXLU-CABCVRRESA-N 309.431 2.389 0 40 DEAB CC(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccn(CC(F)F)n1 78653334 FLELBERDVAMTNW-MFKMUULPSA-N 316.352 2.331 0 40 DEAB CN1C[C@@H](NC(=O)c2cccc(Cl)c2Cl)CCC1=O 78841468 AIXLANKSIOQWRY-QMMMGPOBSA-N 301.173 2.344 0 40 DEAB O[C@H]1c2c(cc3ccc4cccc5ccc2c3c45)[C@H](O)[C@@H](O)[C@H]1O 2000882 KWFVZAJQUSRMCC-HAGHYFMRSA-N 320.344 2.386 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)NCc1sccc1C 79098545 LZXKPGWXSYLGGA-LLVKDONJSA-N 318.464 2.021 0 40 DEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)N1CCc2ccccc21 32904774 YHEFIKNSGXUEQX-UHFFFAOYSA-N 315.398 2.263 0 40 DEAB Cc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2)s1 6367260 LXCQGNKQHFPGCV-UHFFFAOYSA-N 304.371 2.233 0 40 DEAB O=C(NCC(=O)N(Cc1cccnc1)C1CC1)c1ccccc1 61211934 QGYIZYOLUIPIEZ-UHFFFAOYSA-N 309.369 2.003 0 40 DEAB CSc1sc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)nc1C 69436995 KTETXYLRCJDFLJ-UHFFFAOYSA-N 324.431 2.055 0 40 DEAB Cc1nc(NC(=O)Cc2ccc(S(C)(=O)=O)cc2)sc1C 10590872 VNPNHFYISNQMTN-UHFFFAOYSA-N 324.427 2.345 0 40 DEAB COc1ccccc1CN1CC[C@@H]2OCCN(C(C)C)[C@H]2C1 108532345 IUTCJPBOSCFSSA-WMZOPIPTSA-N 304.434 2.379 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)[C@H](C)Sc2nncs2)cc1 69413708 PEXRHSKFZSQJOR-CMPLNLGQSA-N 323.443 2.177 0 40 DEAB CCN1C[C@@H]2CN(Cc3ccsc3)CCC[C@]2(C(=O)O)C1 107201447 AVCVOZRUDFMQEB-ZBFHGGJFSA-N 308.447 2.367 0 40 DEAB COCc1cc(C)nc(Nc2cccc(OC)c2)c1C(N)=O 1428514 HJOUYGZWNQESFS-UHFFFAOYSA-N 301.346 2.388 0 40 DEAB Cc1ccoc1CN[C@H]1CCN(S(=O)(=O)C(C)C)C[C@H]1C 106918600 ZELBEEGQAMHBIF-KGLIPLIRSA-N 314.451 2.126 0 40 DEAB COc1ncc(CN(CCCN(C)C)Cc2ccco2)cn1 57810900 ZYUCSBSYXZIWEY-UHFFFAOYSA-N 304.394 2.032 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)NC[C@H]1CN2CCC[C@H]2CO1 107494988 XODXFBKZUZSOQW-KBPBESRZSA-N 313.401 2.069 0 40 DEAB O=C(NCc1cccnc1)NC[C@H](c1ccco1)N1CCCC1 48234324 PXCSALBRMFGHDF-OAHLLOKOSA-N 314.389 2.311 0 40 DEAB CCc1cc(=O)n(CC(=O)N(CC)CC)c(-c2ccccc2)n1 57527032 GAJXWRPZZRPAPF-UHFFFAOYSA-N 313.401 2.341 0 40 DEAB O=C(Cn1cnc2ccccc21)NCc1nc2ccccc2[nH]1 44442774 PRYCLTDCDUXITB-UHFFFAOYSA-N 305.341 2.229 0 40 DEAB CC(C)(C)C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 58210403 JTLGIWPBXRSALA-OAHLLOKOSA-N 308.397 2.361 0 40 DEAB C/C=C/C=C/C(=O)NCc1cccc(NC(=O)Cn2cccn2)c1 58268625 PKKZAASFLWANJY-DSXPNFDZSA-N 324.384 2.270 0 40 DEAB O=C(O)CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 44903359 KARFXRYLCFLMSA-UHFFFAOYSA-N 301.346 2.134 0 40 DEAB Nc1nccnc1C(=O)NCC1(c2ccc(F)cc2)CCCC1 58414541 DEVFXADRVJPMIJ-UHFFFAOYSA-N 314.364 2.440 0 40 DEAB Cc1nn(C)c(C)c1Nc1ccc2nnc(C(F)(F)F)n2n1 12924357 VCIGYCUWGQNPDN-UHFFFAOYSA-N 311.271 2.237 0 40 DEAB O=C(CSc1ccccn1)NC(=O)NCc1cccs1 8487083 SEBWXCAEOYBYJT-UHFFFAOYSA-N 307.400 2.261 0 40 DEAB c1csc(-c2noc(CN3CCC[C@@H]3Cn3cncn3)n2)c1 69512906 AOAUIRSMWJIGNP-LLVKDONJSA-N 316.390 2.054 0 40 DEAB COC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(C)c2)CC1 69537823 ZJFRPDRJNGUZIV-CVEARBPZSA-N 316.401 2.446 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cc(C)no2)cc1 48908411 JKKJTQZPXMBFRU-LLVKDONJSA-N 315.373 2.441 0 40 DEAB O=C(Cc1cccnc1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91758802 IHBRQPWIBZMVPW-CJNGLKHVSA-N 318.323 2.237 0 40 DEAB COc1ccccc1CN(C)C(=O)COc1ccc(C)nc1 69662763 PCSMEJSCLKBXGY-UHFFFAOYSA-N 300.358 2.436 0 40 DEAB Cc1ccn2cc(C(=O)NCC(=O)OCc3ccccc3)nc2c1 17638898 CNLUYGYFTBQMGJ-UHFFFAOYSA-N 323.352 2.116 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)NCCc2cccs2)c1 69709393 WWGZJFCYYBRJOM-ZIAGYGMSSA-N 320.462 2.151 0 40 DEAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1Cn1cccn1 69930051 LOFMLFPRVKTCOW-GFCCVEGCSA-N 322.796 2.457 0 40 DEAB CSCC[C@H](NC(=O)NCc1ccccc1Cl)C(=O)O 5215680 WXKIJQYOCXIILS-NSHDSACASA-N 316.810 2.346 0 40 DEAB C[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CC(N)=O)CC1 65503907 KPOAWURGXKLOFA-GFCCVEGCSA-N 306.381 2.118 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)on1 14166270 FPHBICRYBAHUKC-VIFPVBQESA-N 321.764 2.249 0 40 DEAB CCn1cnnc1C1CCN(C(=O)COC2CCCCC2)CC1 65625564 QWYMGNGXUZDEFM-UHFFFAOYSA-N 320.437 2.353 0 40 DEAB COc1ccc(C)c2c1N(CCN1CCCCC1)C(=O)C2=O 6759483 HPLZHNYEQZBJII-UHFFFAOYSA-N 302.374 2.019 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C(C)C)N2C[C@H](C)O[C@H](C)C2)cn1 66918391 OIICEMPDUVTWOW-UXLLHSPISA-N 319.449 2.140 0 40 DEAB COc1ccc(NC(=O)CSCCCN(C)C)cc1OC 96010336 PVACVLMPOOPFKL-UHFFFAOYSA-N 312.435 2.327 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)c3cnc(C)s3)C2)no1 67882591 SKAQPVPNJSZVFW-SNVBAGLBSA-N 306.391 2.417 0 40 DEAB Cc1ccc(OCc2nc(C(=O)O[C@@H](C)C(N)=O)cs2)cc1 16160102 LALIXQUPHMBNTN-JTQLQIEISA-N 320.370 2.061 0 40 DEAB OCCn1ncc2c(N[C@H]3CCCc4ccccc43)ncnc21 97199970 GIOCEWSNOKRTBD-HNNXBMFYSA-N 309.373 2.308 0 40 DEAB CC(C)(CC(=O)O)CC(=O)NCc1ccccc1-n1ccnc1 71825416 YDLRVDKCKXNNKX-UHFFFAOYSA-N 315.373 2.380 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(-c3nc[nH]n3)cc2)n1 71896756 WHKHKRNWDSQVFP-LBPRGKRZSA-N 310.361 2.485 0 40 DEAB COc1ccc(C2(C(=O)N(C)CC(=O)N(C)C)CCCC2)cc1 71844161 SVXKUDLEQYWYLH-UHFFFAOYSA-N 318.417 2.054 0 40 DEAB O=C(NCc1cc(F)cc(F)c1)N[C@H](CO)c1ccccc1 71926165 ZFRYWNAICIHXHT-OAHLLOKOSA-N 306.312 2.498 0 40 DEAB CC(=O)Nc1cccc(NC(=O)CNC(=O)C2CCCCC2)c1 9727229 FGIFFRFVGDFVAD-UHFFFAOYSA-N 317.389 2.280 0 40 DEAB O=C1NCCN(C(=O)c2cscn2)[C@@H]1c1ccccc1Cl 97086605 SIDAOOHDVQGNSU-GFCCVEGCSA-N 321.789 2.110 0 40 DEAB CN1CCO[C@H](CN(C(=O)CC2CCCC2)c2nccs2)C1 95402135 RASIFAMIMPWUAT-AWEZNQCLSA-N 323.462 2.387 0 40 DEAB CN(c1ccnc(-c2ccccc2)n1)C1CCS(=O)CC1 95406500 ZMDRTEGGEXRZFX-UHFFFAOYSA-N 301.415 2.491 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N(C)C2CCC(CO)CC2)c1 95442378 QURWLCAUTLOTOU-UHFFFAOYSA-N 315.410 2.306 0 40 DEAB CCC(=O)COc1ccc(S(=O)(=O)NCCC(C)C)cc1 95446959 FGIGENOSSHLWAS-UHFFFAOYSA-N 313.419 2.369 0 40 DEAB CCc1ncc(CN(CC(=O)O)C(=O)c2ccoc2C)s1 95997231 DGZWCLZPMRCCSL-UHFFFAOYSA-N 308.359 2.334 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCc1ccn(C)c1 95984056 FSMYOKMVOMCJKX-CQSZACIVSA-N 301.394 2.412 0 40 DEAB CNc1ccc(Nc2cc(C(F)(F)F)nc3ncnn23)cn1 85876840 FSKJKCGWWOLWKB-UHFFFAOYSA-N 309.255 2.323 0 40 DEAB Cc1ccc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c(=O)[nH]1 75122476 MSYCOPFPSRWHEV-CQSZACIVSA-N 316.332 2.466 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2cccc3c2ccn3C)CC1 61718738 FZCRKDNDXWLGKI-UHFFFAOYSA-N 315.373 2.093 0 40 DEAB CCn1cc(I)c(COCC(F)F)n1 408716249 KKBSRXDXZWYQLR-UHFFFAOYSA-N 316.089 2.289 0 40 DEAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20143785 NLFDQETZUOUNTB-UHFFFAOYSA-N 301.298 2.416 0 40 DEAB O=C(CCc1ccc(F)cc1)Nc1c[nH]nc1[C@H]1CCNC1 1549743061 FMXHEJWBLABKRG-LBPRGKRZSA-N 302.353 2.197 0 40 DEAB O=S(=O)(O)c1[nH]c2ccccc2[n+]1Cc1ccccc1Cl 6192535 JARKDXRBWHVAPN-UHFFFAOYSA-O 323.781 2.404 0 40 DEAB CNS(=O)(=O)Cc1cccc(CNCc2ccc(C)s2)c1 78553417 VEDAFIJBTNWHTO-UHFFFAOYSA-N 324.471 2.396 0 40 DEAB COC(=O)c1cc(I)c(OC)cc1OC 39951659 NOMOWOXIOWWKNR-UHFFFAOYSA-N 322.098 2.095 0 40 DEAB O=C(Nc1ccccc1Cn1cncn1)c1c(O)cccc1F 120445972 RDALVLPGRQOJEA-UHFFFAOYSA-N 312.304 2.423 0 40 DEAB COCCn1ccc2cc(NC(=O)NC[C@H]3CCOC3)ccc21 78441537 ICCGZVJSDNVZHP-CYBMUJFWSA-N 317.389 2.446 0 40 DEAB Cc1nc(NC(=O)N(C)CCN(C)C)ccc1Br 128784154 UBKOHRFOOWAVFE-UHFFFAOYSA-N 315.215 2.178 0 40 DEAB CC(C)C[C@H](O)CNC(=O)[C@@H]1CCN(c2ccccc2)[C@@H]1C 225608710 WYYLRDFLCYDOKN-HYVNUMGLSA-N 304.434 2.425 0 40 DEAB COc1ccc(C(=O)O)cc1NC(=S)NCc1ccco1 225156359 UPQMODUEXAEERM-UHFFFAOYSA-N 306.343 2.473 0 40 DEAB C[C@H]1NC(=S)N(c2cccc(NC(=O)C(C)(C)C)c2)C1=O 42735709 UPRMVXZTKJMRGH-SECBINFHSA-N 305.403 2.281 0 40 DEAB CCc1n[nH]c(-c2ccccc2NC(=O)c2ncccc2O)n1 133046035 DVMHGIINXBKMOD-UHFFFAOYSA-N 309.329 2.387 0 40 DEAB COc1ccc2cc(NC(=O)CCNc3ncccn3)cnc2c1 95478875 QYSRABAJYZBQPO-UHFFFAOYSA-N 323.356 2.474 0 40 DEAB COc1cccc(CN(C)[C@@H]2CCC[C@@H]3CN(C(N)=O)C[C@@H]32)c1 96183131 MBBSFDJRDCGLQW-HYVNUMGLSA-N 317.433 2.306 0 40 DEAB Fc1ccc(CN2CC[C@]3(C[C@H](n4cnnc4)CO3)C2)cc1 96072868 WHDVPFXQBHJCDM-HOTGVXAUSA-N 302.353 2.023 0 40 DEAB Cn1nnc2c1[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 96045476 MNLFEADYJRNSQY-CQSZACIVSA-N 318.446 2.403 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)NC[C@@H](C)Sc1ccccc1 96439839 FVXQCPZROILSRR-QWHCGFSZSA-N 319.434 2.147 0 40 DEAB C[C@@H]1N(C)C(=O)COC12CCN(Cc1ccc(F)cc1)CC2 96201507 XYDRMGLHCOXCBH-ZDUSSCGKSA-N 306.381 2.037 0 40 DEAB O=C1CCN(C(=O)CCCC(=O)c2ccc(Cl)cc2)CCN1 96408430 OCZYFPYYZOAJLC-UHFFFAOYSA-N 322.792 2.042 0 40 DEAB COCCC(=O)N1CCN(CC(C)C)c2nc(C)ccc2C1 96199012 JJBMYXUJSWPXSM-UHFFFAOYSA-N 305.422 2.231 0 40 DEAB CO[C@H]1CCN(C(=O)c2ccsc2)[C@@H]2CN(CC3CC3)C[C@H]12 96109435 CEBKPKBKZAIUMW-XHSDSOJGSA-N 320.458 2.319 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCO[C@@H](c2ccncc2)C1 257240591 HUFYNXRQOYKXEH-OAHLLOKOSA-N 308.341 2.172 0 40 DEAB CCc1nnsc1C(=O)N1CCO[C@@H](c2ccnc(C)c2)C1 257223117 DVXYKAIUBNCZPP-CYBMUJFWSA-N 318.402 2.018 0 40 DEAB Cc1ccc2nc(C(=O)N3CC[C@@]4(C)C[C@H](O)CC[C@@H]34)cn2c1 257202919 ANWWOKZHTBZGPD-SIIHOXLZSA-N 313.401 2.408 0 40 DEAB Cc1cn[nH]c1[C@H]1COCCN1Cc1nc2ccccc2n1C 257273931 NIVDCFYIDBAJKP-OAHLLOKOSA-N 311.389 2.178 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)ccn1 278936170 BSENXNICSCGGIS-AWEZNQCLSA-N 311.389 2.336 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575406170 XOIASLVHKNPQBC-JHJVBQTASA-N 320.364 2.016 0 40 DEAB O=C(N1CC2(C[C@H](Oc3ccccn3)CS2)C1)C1(F)CC1 575402696 FUNFDMIUYOADFN-NSHDSACASA-N 308.378 2.049 0 40 DEAB Cc1cccc(NC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)c1 585141286 SSWHLAKRHFOMAS-CQSZACIVSA-N 308.403 2.036 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N[C@H]3CCCC[C@@H]3O)cnc21 58316080 ITZVNYGNBWRLIH-KBPBESRZSA-N 317.393 2.437 0 40 DEAB CC(=O)NCCCSCC(=O)N1CCC[C@H]2CCCC[C@H]21 89962656 PEMNGAJAVPZDLS-HUUCEWRRSA-N 312.479 2.427 0 40 DEAB O=C(CSc1ccccn1)NC[C@H]1COc2ccccc2O1 5172113 ALMBXWYWARUJEF-LBPRGKRZSA-N 316.382 2.130 0 40 DEAB COc1ccccc1C(=O)NC(=S)NNc1ccccc1 14257578 LRMBWTOYANCJRI-UHFFFAOYSA-N 301.371 2.327 0 40 DEAB CCCCN[C@@H](CC(=O)Nc1ccc(OCC)cc1)C(=O)O 16791128 VXOJRMYWQYHZBC-AWEZNQCLSA-N 308.378 2.257 0 40 DEAB CC(C)(C)C(=O)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 19081423 ZWDXOBZDMBKBIR-NSHDSACASA-N 319.434 2.439 0 40 DEAB O=C1CCCC[C@@H]1CN1CCN(C[C@H]2CCCCC2=O)CC1 19682007 LWFKOYDXEOPQLR-HZPDHXFCSA-N 306.450 2.123 0 40 DEAB CC(=O)N1CC[C@@H](C(=O)NC2(c3ccccc3)CCCC2)C1 19747686 AHMAMFQXCPKBBR-OAHLLOKOSA-N 300.402 2.441 0 40 DEAB CCc1ccc(OCC(=O)NCCC2CCN(C)CC2)cc1 156354042 USTDBSFKKNYVKR-UHFFFAOYSA-N 304.434 2.476 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)c3sc(C)nc3C)C2)nn1 225424214 JXOVJJCDBIPUKW-LBPRGKRZSA-N 318.402 2.152 0 40 DEAB COc1ccc(N2C[C@@H](CNC(=O)CC(C)C)CC2=O)cc1 8925169 SNWDDZPQMBIGFW-CYBMUJFWSA-N 304.390 2.210 0 40 DEAB Cc1ccc(N2C[C@H](CNC(=O)NC(C)(C)C)CC2=O)cc1 9040385 VUPBLTAFRCAKBE-ZDUSSCGKSA-N 303.406 2.446 0 40 DEAB COc1cccc(CN(C)C(=O)c2csc(NC(C)=O)n2)c1 32674969 MKDSHBLMGPJTKT-UHFFFAOYSA-N 319.386 2.382 0 40 DEAB c1cnc(OC[C@@H]2CCCN(c3ncnc4ncccc34)C2)nc1 1775996321 WWTJCFOJIKYAGA-CYBMUJFWSA-N 322.372 2.110 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCC1(N(C)C)CCCC1 41630884 ZZEFEUSGUTUISU-UHFFFAOYSA-N 314.426 2.287 0 40 DEAB Cc1cc(SCC(=O)N2CCCc3ccccc32)nc(=O)[nH]1 4314690 CADSRFWYTSSYTQ-UHFFFAOYSA-N 315.398 2.150 0 40 DEAB Cc1noc(N)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 7251871 NQMCMNNRSDPZDX-UHFFFAOYSA-N 324.720 2.442 0 40 DEAB COc1cccc(NC2(C(=O)N(C)C)CCN(C(C)C)CC2)c1 2055747723 PNPCDCJQQGMCHH-UHFFFAOYSA-N 319.449 2.438 0 40 DEAB CC(=O)N1CCC(NC(=O)c2cc3ccccc3cc2O)CC1 40464609 PUZXVVDTYIXMPW-UHFFFAOYSA-N 312.369 2.286 0 40 DEAB CCNC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCc1ccccc1 100752518 AYEXRHVYMWTTKC-SOUVJXGZSA-N 302.374 2.312 0 40 DEAB CCC1=C(C(=O)OC)[C@H](c2ccccc2OC)n2ncnc2N1 222781 AIQGDSWQHIUWIF-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB O=C(Nc1ccccc1F)N1CCC(CN2CCOCC2)CC1 20532075 MCTAPRZNCGKRJX-UHFFFAOYSA-N 321.396 2.402 0 40 DEAB Cc1cccc([C@H](CC(=O)Nc2nccs2)NC(N)=O)c1 32796378 JJXYTTRYJPDKSK-NSHDSACASA-N 304.375 2.190 0 40 DEAB Cc1cc(OCCCC(=O)N2CC[C@@H](C(N)=O)C2)ccc1Cl 41128134 SRBXBODOAMSHLI-GFCCVEGCSA-N 324.808 2.141 0 40 DEAB CC(C)N(Cc1ccccc1)C(=O)N[C@@H](C)c1nncn1C 60529122 IZGUHFONBSNZON-ZDUSSCGKSA-N 301.394 2.496 0 40 DEAB COc1ccccc1NC(=O)C(=O)Cc1cnc2ccccc2n1 1631849 NWFMBAXAWLVUCR-UHFFFAOYSA-N 321.336 2.389 0 40 DEAB NC(=O)NCc1ccc(C(=O)OCCc2ccccc2F)cc1 78797240 VFWFQJMHLWLCGB-UHFFFAOYSA-N 316.332 2.394 0 40 DEAB Cc1c(C(=O)N2CCO[C@H](C)C2)cnn1-c1ccc(F)cc1F 32920205 IKMLAGYWSGLHQO-SNVBAGLBSA-N 321.327 2.320 0 40 DEAB CCCNC(=O)C1CCN(C(=O)c2ccc(OC)cc2)CC1 4569287 SJHCBVZOKONNTD-UHFFFAOYSA-N 304.390 2.074 0 40 DEAB Nc1c(C(=O)NCc2ccco2)nnn1-c1ccc(Cl)cc1 4984389 NGDYVXDMYGZGNW-UHFFFAOYSA-N 317.736 2.026 0 40 DEAB Cc1cccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)c1 525070 VWHLJXMWIMKTQW-LCYFTJDESA-N 309.350 2.267 0 40 DEAB CCOC(=O)C1=NO[C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]1C 12412881 YUFZGCAGOHGAIY-AMIZOPFISA-N 307.302 2.050 0 40 DEAB CC1(C)[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)[C@H]1C(=O)O 71281254 RKNRVAYXBWCGRA-KGLIPLIRSA-N 313.357 2.227 0 40 DEAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c2c1[C@@H](C(C)C)CC(O)=N2 71283143 LEUIBSOPDYJDJP-GHMZBOCLSA-N 311.407 2.282 0 40 DEAB Cc1cccn2cc(CN3CCN(c4nccs4)CC3)nc12 54621315 PYQAYAWSSDVXJQ-UHFFFAOYSA-N 313.430 2.421 0 40 DEAB COc1ccc([C@@H](C)NC(=O)C2CCN(C)CC2)cc1OC 174675743 NZXHZOACKSVRAO-GFCCVEGCSA-N 306.406 2.223 0 40 DEAB Cc1cc(C(F)(F)F)nn1C[C@@H](C)C(=O)Nc1ccn(C)n1 28234809 SYWQTWBTPPBCQP-MRVPVSSYSA-N 315.299 2.219 0 40 DEAB O[C@@]12C[C@H]3[C@@H]4C[C@@H]5[C@@H]([C@H]41)C(Br)(Br)[C@H]2[C@H]35 100019675 OOJNESNZJVMXNF-XGHJMIAASA-N 320.024 2.365 0 40 DEAB COC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 108391633 WSCSMSUBZCGVKP-HUUCEWRRSA-N 316.401 2.141 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)NCCCn1cncn1 48188291 LBJZQBJJJSESKZ-ZDUSSCGKSA-N 317.393 2.046 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)NCCCn1ccnc1)C2 48289877 HQOMUKARAUDRBY-HNNXBMFYSA-N 301.415 2.415 0 40 DEAB CC(C)(C)NC(=O)COC(=O)c1ccc(Br)o1 3311339 BPQOLXIQDDLHQE-UHFFFAOYSA-N 304.140 2.114 0 40 DEAB C[C@@H](CNC(=O)[C@@H](C)n1cccn1)N1CCc2sccc2C1 48362184 OMJKRHNJJBSSMU-QWHCGFSZSA-N 318.446 2.069 0 40 DEAB CCCNC(=O)NC(=O)COC(=O)c1cccc2ccccc12 3438499 ZEYPJTNOACACJE-UHFFFAOYSA-N 314.341 2.232 0 40 DEAB Cc1nc(C)c(CCC(=O)Nc2cc(F)cc(F)c2)c(=O)[nH]1 12923241 UFVBVPUCGPNYIZ-UHFFFAOYSA-N 307.300 2.236 0 40 DEAB COc1cccc(NS(=O)(=O)c2ccc(C(=O)O)cc2)c1 13264822 IIEQLFNLBNODCN-UHFFFAOYSA-N 307.327 2.194 0 40 DEAB CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(N)=O)[C@@H](C(=O)O)C1 17056026 IUOTZCLCDAGPOC-MNOVXSKESA-N 322.386 2.233 0 40 DEAB COc1ccc(OC)c(C2=NN[C@]3(C2)C(=O)Nc2ccccc23)c1 13628487 AEFGVGCHDJUOKI-SFHVURJKSA-N 323.352 2.249 0 40 DEAB CC(C)Oc1ccc(C(=O)NCCNC(=O)c2ccco2)cc1 5015343 JOSZQEROBHHGEG-UHFFFAOYSA-N 316.357 2.227 0 40 DEAB CS(=O)(=O)Nc1ccc(Br)c2cccnc12 27930401 DPTAJHKHWWPSCP-UHFFFAOYSA-N 301.165 2.369 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(OC)cc1 6230450 MCUWNHPXLHCFCN-GFCCVEGCSA-N 312.391 2.111 0 40 DEAB CC(C)N1CCOC[C@]2(CC[C@H](CNCc3cccs3)O2)C1 306125177 CIIKADJYZREJIQ-WBVHZDCISA-N 324.490 2.496 0 40 DEAB Cc1nc2n(c1C)CCN(CC(=O)N1CCCc3ccccc31)C2 65464705 OMQOOZIKIUIBMV-UHFFFAOYSA-N 324.428 2.295 0 40 DEAB COC[C@H]1CN(c2nc3ccc(OC)cc3cc2C)CCO1 91620953 JBRISIOSQFMDTN-OAHLLOKOSA-N 302.374 2.403 0 40 DEAB Cc1cccc(CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1 4483575 IVSYLHPMOQHMOO-CVEARBPZSA-N 320.352 2.488 0 40 DEAB C[C@H](NC(=O)NCc1ccsc1)C(=O)N1CCCC[C@H]1C 65577258 DKKURXJOKPNJOB-NEPJUHHUSA-N 309.435 2.337 0 40 DEAB Cc1cnc(NC(=O)CN2C(=O)[C@H](C)Oc3ccccc32)s1 14181692 AQSOQFINQXDSLP-JTQLQIEISA-N 317.370 2.204 0 40 DEAB Cc1nc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)cs1 14775371 GBUVFWBDGONIML-KTRBRXNASA-N 316.382 2.421 0 40 DEAB O=C1N(c2ccccc2)Cc2nc(=O)n(Cc3ccc(F)cc3)n21 15085548 PWTWKERUVMTKEU-UHFFFAOYSA-N 324.315 2.221 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)NOCc2ccccc2)cc1 69871481 UAUOGBLTWUNKRP-UHFFFAOYSA-N 320.370 2.343 0 40 DEAB CCOc1ccc(C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15646330 VUPJFNUNCLAJHQ-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB Cn1ncc2c(=O)[nH]c(N3CCC[C@@H]3c3cccs3)nc21 68659657 IWJQJOBIYTTXQQ-SNVBAGLBSA-N 301.375 2.060 0 40 DEAB Cc1cnc(C(C)(C)NCc2nnnn2-c2ccccc2)s1 97112065 SSXQXAXSDXPAME-UHFFFAOYSA-N 314.418 2.452 0 40 DEAB Cc1ccc(F)cc1NC(=O)NCCN1CCC(N(C)C)CC1 72313313 PBMHEZQMGOMXFP-UHFFFAOYSA-N 322.428 2.282 0 40 DEAB CC(=O)Nc1nc(-c2ccc3c(c2)NC(=O)[C@H](C)O3)cs1 19796531 RJRKESNJEXAVOQ-ZETCQYMHSA-N 303.343 2.488 0 40 DEAB Cc1cccc2c(=O)n(CC(=O)N3CCC[C@@H]3C(C)C)cnc12 71830005 GECGQEGEHUFWNH-OAHLLOKOSA-N 313.401 2.352 0 40 DEAB CC[C@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 97086456 LAAUCOPWBIYZBX-SECBINFHSA-N 315.204 2.435 0 40 DEAB C[C@H](O)CN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl 97084096 NEKPFIOBFRPPNI-QMMMGPOBSA-N 312.218 2.136 0 40 DEAB C[C@@H](NC(=O)N1CCCC[C@@H](N2CCCC2)C1)c1cnn(C)c1 95405343 VVEJWMOJTHTPSY-GDBMZVCRSA-N 319.453 2.141 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)c1cn(CC(=O)C(C)(C)C)nn1 73381119 WXUIQHLAOOLLTQ-RYUDHWBXSA-N 306.410 2.296 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CCC[C@@H](Cn2cncn2)C1 95994994 NMFPUPPTDHXOGX-GFCCVEGCSA-N 303.341 2.361 0 40 DEAB CCc1noc(CC)c1CNC(=O)NCc1ccccc1CO 89280190 KKWVUQJMICVUKJ-UHFFFAOYSA-N 317.389 2.291 0 40 DEAB O=C(NC[C@H]1CCCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123764 HRCZPCMAVJJMAQ-SECBINFHSA-N 319.283 2.084 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 89938717 YTGHBMWOWKXXAU-LBPRGKRZSA-N 318.808 2.302 0 40 DEAB CCOC(=O)C1(C(=O)OCC(=O)Nc2ccc(F)cc2)CCC1 89978134 QZZMAKGDNDSNJG-UHFFFAOYSA-N 323.320 2.041 0 40 DEAB NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408696152 WUTTYUQJVHKQSZ-UHFFFAOYSA-N 300.268 2.311 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)N1CCO[C@@H](C)C1 78611788 BWHDICXBVUIBDA-ZDUSSCGKSA-N 300.362 2.433 0 40 DEAB Oc1nc(-c2ccccn2)nc2c1CN(Cc1ccccn1)CC2 72339885 MHIXWCLEJAEKGA-UHFFFAOYSA-N 319.368 2.198 0 40 DEAB Cc1nnc(-c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)C3(C)C)cc2)o1 71287350 IVUBPMLADDIWHH-RYUDHWBXSA-N 315.329 2.340 0 40 DEAB c1cc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)ccn1 72355438 BTYSSYTUIZLRBG-MRXNPFEDSA-N 320.400 2.437 0 40 DEAB CCCn1nnnc1CN1CCO[C@@H](c2ccc(C)cc2C)C1 75786238 YTTPAODUARWEPM-MRXNPFEDSA-N 315.421 2.273 0 40 DEAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CC1 135591709 GQPXKUKQIFAQAX-NZVBXONLSA-N 313.394 2.374 0 40 DEAB Cn1c(CC(F)(F)F)nnc1N1CC[C@H](C2CCOCC2)C1 566796640 MHQWZNKMADJEKX-NSHDSACASA-N 318.343 2.173 0 40 DEAB COC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccoc1Br 225562175 DCWIHAIFWAHLMD-IONNQARKSA-N 316.151 2.114 0 40 DEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)s2)cc1 225388535 MUGAPSZYVHVZMW-UHFFFAOYSA-N 315.347 2.475 0 40 DEAB CCCCn1c(S[C@@H](CC)C(=O)O)nc2c(N)ncnc21 85397310 QUZOVLWZZUNHAN-QMMMGPOBSA-N 309.395 2.164 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 222993722 URZOFGASSGBFMC-KBPBESRZSA-N 302.403 2.029 0 40 DEAB CCC(=O)Nc1cnc(N2CCN(c3ccccc3)CC2)nc1 224255842 NNUGOAZOWYXIBR-UHFFFAOYSA-N 311.389 2.152 0 40 DEAB COC(=O)[C@H]1CC[C@@H](NC(=O)N2CCC(C(F)(F)F)CC2)C1 192453360 HXJYFEQVOKAALJ-GXSJLCMTSA-N 322.327 2.312 0 40 DEAB CCCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225690749 CTUHHUNNLAWDSG-UHFFFAOYSA-N 314.432 2.161 0 40 DEAB CC(C)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CCS1 96432293 TVKQZUZBJMDZFC-CQSZACIVSA-N 316.430 2.481 0 40 DEAB Cn1ccnc1CN1CCc2ncnc(-c3ccoc3)c2CC1 96255152 SVAYTRRCJOOFDR-UHFFFAOYSA-N 309.373 2.071 0 40 DEAB CC[C@@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1cccs1 96424710 VTBCKZJLULGLFX-LSDHHAIUSA-N 310.463 2.332 0 40 DEAB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 96077561 ZTCZRVOCETYDRA-OAHLLOKOSA-N 307.419 2.295 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(F)cc4)C[C@@H]32)C(=O)N1C 96261398 BWGJXZJKYYMHLM-UWWQBHOKSA-N 315.392 2.297 0 40 DEAB O=C(NC1CC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 97953353 BOTVVWOAUHAVII-GDBMZVCRSA-N 306.431 2.008 0 40 DEAB COc1ncccc1CN1CC[C@H]2[C@@H]1CCC(=O)N2CC1CC1 96186273 PUVZMDDUOXXQRD-HOTGVXAUSA-N 315.417 2.066 0 40 DEAB CN(C)C(=O)c1cccc(NC(=O)c2cc(F)c(F)c(F)c2)n1 96425565 DUBGQOALVRLJTL-UHFFFAOYSA-N 323.274 2.453 0 40 DEAB Cc1ccccc1N1C[C@@]2(CCN(Cc3nccn3C)C2)CC1=O 96238645 PDVDLTFZNGXBLG-IBGZPJMESA-N 324.428 2.358 0 40 DEAB O=C(c1ccco1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96073526 YSPPTCSYNCGISD-PBHICJAKSA-N 305.374 2.470 0 40 DEAB O=S(=O)(C1CCOCC1)N1CCc2c(Cl)cccc2C1 96417522 MKIYJUGBDZBCNF-UHFFFAOYSA-N 315.822 2.207 0 40 DEAB C[C@H](C(=O)N(C)[C@H](C)Cc1ccc(O)cc1)N1CCSCC1 95445809 DOMPCZHTVFPBQQ-ZIAGYGMSSA-N 322.474 2.219 0 40 DEAB Cc1cc(CN2CC[C@H]3C[C@H](c4ccncn4)O[C@@H]3C2)no1 96046138 OXAKLANVCJIESQ-APHBMKBZSA-N 300.362 2.125 0 40 DEAB COCCC(=O)N1CCC(N[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CC1 245289826 FKEQMTHRJDGYOI-FWEDZOCSSA-N 320.477 2.428 0 40 DEAB Cc1cncc(C2CCN(S(=O)(=O)c3cccs3)CC2)n1 257255413 KHJCXVAYDKDQAS-UHFFFAOYSA-N 323.443 2.415 0 40 DEAB O=C(c1ccccc1F)N1CCC[C@@H](c2ccnc(O)n2)C1 257332142 XVXPKBOECHMINX-LLVKDONJSA-N 301.321 2.341 0 40 DEAB Cc1cnc(C(=O)N2CCCC[C@@H]2c2ccn3ccnc3n2)cn1 257227530 FPUARLXFXRRXKT-OAHLLOKOSA-N 322.372 2.195 0 40 DEAB O=C(c1cncs1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257246375 ITVWXHVSVTXKCP-KWCYVHTRSA-N 315.398 2.468 0 40 DEAB COCCC(=O)N1CCC[C@H](c2cccc3nc(C)cn23)C1 257225372 FFXLCKXPWDTZHV-AWEZNQCLSA-N 301.390 2.385 0 40 DEAB CN(C(=O)c1cc(C2CC2)on1)[C@H](Cc1ccccc1)C(=O)O 263448942 NUPWOXDCTXDILT-CQSZACIVSA-N 314.341 2.320 0 40 DEAB CSCC(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575403871 PFFLYMLJVRMYSH-ZDUSSCGKSA-N 324.471 2.048 0 40 DEAB COC(=O)c1sc(Br)nc1Br 47202316 XPJHUKSRFWDDHN-UHFFFAOYSA-N 300.959 2.455 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCN(CCc2ccncc2)CC1 52160699 HTYVYKVSOQYMEC-UHFFFAOYSA-N 318.808 2.064 0 40 DEAB COC(=O)C1(NC(=O)c2cnn(C(C)(C)C)c2)CCC(C)CC1 60397509 VVAJVHJQUJFASY-UHFFFAOYSA-N 321.421 2.490 0 40 DEAB Cc1ccccc1C1CCN(CC(=O)N2CCOCC2)CC1 69740680 QGUFHBLLIUGTQD-UHFFFAOYSA-N 302.418 2.033 0 40 DEAB COCCOCCCC(=O)N[C@@H](c1ncc(C)s1)C1CC1 72296822 BGJMHEAQERHVAS-CQSZACIVSA-N 312.435 2.462 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)n2nnnc2N1 15080042 QPKMQZHWANENNL-CQSZACIVSA-N 313.361 2.222 0 40 DEAB CC(=O)c1ccc(OCC(=O)N(C)Cc2cc(C)on2)cc1 25135655 BFUQKHDAQFLJHS-UHFFFAOYSA-N 302.330 2.223 0 40 DEAB COc1ccc(NC(=O)c2occc2C)cc1NS(C)(=O)=O 29817797 MLAVPGXHIFOTED-UHFFFAOYSA-N 324.358 2.220 0 40 DEAB O=C(NCCn1nccn1)c1cccc(OCc2ccccc2)c1 238827665 FDDKNSBORWEHBX-UHFFFAOYSA-N 322.368 2.287 0 40 DEAB O=C(Cc1ccccc1)NC[C@H]1CC(=O)N(c2ccccc2)C1 8924973 TZOUBFGCUJRMTO-MRXNPFEDSA-N 308.381 2.398 0 40 DEAB c1ccc2c(c1)ncn2C1CN(c2ncnc3cnccc23)C1 1775973782 FQTDVJQORRUILB-UHFFFAOYSA-N 302.341 2.436 0 40 DEAB O=C(NCc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CC2 5731426 IHPRKEUYIJTJLB-UHFFFAOYSA-N 320.348 2.193 0 40 DEAB biogenic COCCCNC(=O)CN1CCC(Cc2ccccc2)CC1 40161477 DVVPTBWPEVDNAD-UHFFFAOYSA-N 304.434 2.094 0 40 DEAB O=C(NCc1csc(Br)c1)N1CCOCC1 31099655 SHIPDVPOTDCRRQ-UHFFFAOYSA-N 305.197 2.052 0 40 DEAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@H]1COc2ccccc2C1 40493748 MHGVIMXGJPBZOC-MRVPVSSYSA-N 312.251 2.013 0 40 DEAB CC(C)C(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2F)C1 40506363 FOKVSDASNMBNQY-OAHLLOKOSA-N 320.408 2.379 0 40 DEAB CN1C(=O)N(C[C@H](O)c2cccc(F)c2)C(=O)C12CCCCC2 51260223 IUGBBVKRRKPREC-AWEZNQCLSA-N 320.364 2.456 0 40 DEAB COc1ccc(CCNC(=O)N[C@H](C)[C@H]2CCCO2)cc1OC 37170776 QJWBWTQQHXADDD-TZMCWYRMSA-N 322.405 2.113 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(-n2cccn2)c1 76091627 CEXANMNHYXAEOC-LBPRGKRZSA-N 308.341 2.052 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2ccsc2c1=O 32843089 AEYPODZTNDKMHS-QWRGUYRKSA-N 305.403 2.153 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)NCc1ccccc1)C(=O)[C@H](C)O2 1362185 MKBIEXQERYUGHB-AWEZNQCLSA-N 324.380 2.425 0 40 DEAB CCc1ccc2c(c1)c1nnc(SCC(=O)O)nc1n2C 1366153 PNAWPQOAYBIYCC-UHFFFAOYSA-N 302.359 2.256 0 40 DEAB Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 32827118 YBWASFRYEGSEOM-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB Cc1ccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4141783 WXZZVLGELIAGPE-AZQPONJRSA-N 324.380 2.131 0 40 DEAB Cc1noc([C@H]2CCCN(C[C@H](O)c3cccc(F)c3)C2)n1 52863010 JCADFAKOMRRYFL-ZFWWWQNUSA-N 305.353 2.430 0 40 DEAB Cc1nn(-c2ccc(Br)cc2)nc1C(=O)N(C)C 59843337 QSJCQANPUPYUSP-UHFFFAOYSA-N 309.167 2.040 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 71870032 AQMMALQKSNMQJE-HNNXBMFYSA-N 318.446 2.499 0 40 DEAB COc1ccc(CN(C)C(=O)CCNC(=O)c2ccco2)cc1 23602981 JAABHZPXYNBMRX-UHFFFAOYSA-N 316.357 2.067 0 40 DEAB COc1ncccc1NS(=O)(=O)c1cc(F)cc(F)c1 47521323 XLFXWNVZYFQRMI-UHFFFAOYSA-N 300.286 2.169 0 40 DEAB O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@H]2CCC[C@H]21 71826962 ZYZCZWBYBBUNDI-CVEARBPZSA-N 315.348 2.405 0 40 DEAB CC(C)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1 105721738 HYICUZIKCPQAOJ-KRWDZBQOSA-N 303.450 2.137 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)c1)c1n[nH]c2ccccc12 24968970 CASYOOLZDXCDAL-UHFFFAOYSA-N 321.384 2.488 0 40 DEAB Cc1cc(C)n(CCC(=O)Nc2ccc(-n3ccnc3)nc2)n1 24905520 NSYRVUZEDVOGHF-UHFFFAOYSA-N 310.361 2.109 0 40 DEAB CCOC(=O)N1CCC(C(=O)NOCc2ccccc2)CC1 25036981 NCNFABCWLGJERH-UHFFFAOYSA-N 306.362 2.103 0 40 DEAB CC(=O)N1CCCN(C(=O)c2cnc(C(C)(C)C)s2)CC1 71825468 MMVMDYWJDRYJDZ-UHFFFAOYSA-N 309.435 2.135 0 40 DEAB O=C(NCC[S@@](=O)c1ccccc1)[C@@H]1C[C@@H]1c1cccnc1 71896448 SIMFWHWBGCTHOM-MCFFVMPBSA-N 314.410 2.109 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cnn(C)c1 25306920 FIBZZIJMJSCHTF-UHFFFAOYSA-N 303.410 2.461 0 40 DEAB CCCc1noc([C@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 47978833 BTASTCZWWXUQOS-JSGCOSHPSA-N 320.437 2.321 0 40 DEAB Cc1cccc([C@@H](CC(=O)NCc2ccoc2)NC(N)=O)c1 48252232 QPXHTFRLXSXDSQ-CQSZACIVSA-N 301.346 2.004 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2cccc(OC)c2)cc1 1943598 UPQLWLSKVVHQPZ-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1ccc(-c2cc(NC(=O)CN3CCC(O)CC3)on2)cc1 48251062 JNYBCXBBMLZARP-UHFFFAOYSA-N 315.373 2.045 0 40 DEAB Nc1nc(SCC(=O)NC2CC2)nc2sc3c(c12)CCC3 3359231 CCDMTOMACHRWSW-UHFFFAOYSA-N 320.443 2.133 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCN[C@@H](c3ccccc3)C2)cc1 22115360 ZDMWJJZWFHWUBA-QGZVFWFLSA-N 316.426 2.330 0 40 DEAB Cc1cccc(OCCN(C)CC(=O)Nc2cc(C)no2)c1 44896587 BLKKTMHZBOSRBT-UHFFFAOYSA-N 303.362 2.241 0 40 DEAB Cc1csc(CNC(=O)NC[C@H](C)Cn2nc(C)cc2C)n1 44953050 RDDHFQHCBZQKPA-JTQLQIEISA-N 321.450 2.400 0 40 DEAB CCn1cc(C(=O)NCC(C)C)c(=O)c2cc(OC)ccc21 22235638 FNOPHCCQURBLAI-UHFFFAOYSA-N 302.374 2.416 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58328640 ZNPCTJIEZURZKN-WBVHZDCISA-N 320.408 2.333 0 40 DEAB OCCn1nccc1C1CCN(Cc2ccccc2F)CC1 58310667 NBEJTVWDGOXIKS-UHFFFAOYSA-N 303.381 2.394 0 40 DEAB CCOC(=O)NCCC(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 58401570 GGHHEKUXQWONFX-HIFRSBDPSA-N 320.389 2.111 0 40 DEAB Cc1cccc(NC(=O)NCc2ccc(OCC(N)=O)cc2)c1 12858342 LKSPFYFNILZFRD-UHFFFAOYSA-N 313.357 2.181 0 40 DEAB O=C(NCc1ccccc1F)NCc1nnc2n1CCCCC2 45570211 FBCKNJLWRZDYHM-UHFFFAOYSA-N 317.368 2.143 0 40 DEAB C[C@H](O)CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 69875200 RQHTVVCVEKYVSO-JTQLQIEISA-N 317.216 2.132 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1 69898086 ODVACPMTIVBMCH-SNVBAGLBSA-N 321.764 2.207 0 40 DEAB C[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(F)c(Cl)c1 48927317 NLNNIGDRLYDJJQ-HTQZYQBOSA-N 307.774 2.089 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H](C)n2ccnc2)n1 69951346 MMGBFLRNBHFURJ-HZPDHXFCSA-N 315.421 2.339 0 40 DEAB CN1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 6002098 SEDOGNURVZTCBL-UHFFFAOYSA-N 304.415 2.212 0 40 DEAB CC(=O)Nc1ccccc1OCC(=O)NCc1ccc(F)cc1 6064032 AOEOTJCPPBEVGZ-UHFFFAOYSA-N 316.332 2.479 0 40 DEAB CC(=O)N[C@H](CC(=O)NC[C@H]1CCCO1)c1ccc(Cl)cc1 39977566 IHDBJCLLLQSIFW-HUUCEWRRSA-N 324.808 2.203 0 40 DEAB O=C(CCCOc1ccc(F)cc1)N[C@@H]1CCc2nccn2C1 65465690 GXJFLQDDUIDFSZ-CQSZACIVSA-N 317.364 2.312 0 40 DEAB COc1cc(CN[C@H](C)Cn2nc(C)cc2C)cc2c1OCO2 65488881 OQHRJUFPYRULSD-GFCCVEGCSA-N 317.389 2.416 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCc2c1cnn2CCO 65440497 RDYXXOHYLCXHQF-VHDGCEQUSA-N 320.437 2.131 0 40 DEAB Cc1[nH]c(C(=O)NO[C@@H]2CCCCO2)c(C)c1C(=O)OC(C)C 65513285 ONOSCZXQKDDGRA-GFCCVEGCSA-N 324.377 2.385 0 40 DEAB COc1nc(C(=O)N2CCN(C3CC3)CC2)cc2ccccc12 65605868 XFWDSKRWDZVALS-UHFFFAOYSA-N 311.385 2.164 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1ccc(F)cc1F 6606714 OAMJYSKKUYDHNM-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB CC[C@@H]1CCN(C(=O)NC[C@H]2CCCN(c3ncccn3)C2)C1 94061187 ABRFHMYSXHMKHC-HUUCEWRRSA-N 317.437 2.135 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)c1cc(Br)ccc1F 19427991 AMVLQGTZIVJDGV-SNVBAGLBSA-N 316.126 2.277 0 40 DEAB Cc1ccc([C@@H](OC[C@@H](O)CNCCO)c2ccccc2)cc1 6936173 AFNARYZLVYNTOL-OALUTQOASA-N 315.413 2.044 0 40 DEAB Cc1cccc(NC(=O)CNC(=O)CN2CCCC[C@@H]2C)c1C 7486502 WFPJPNGCMITZGU-AWEZNQCLSA-N 317.433 2.233 0 40 DEAB Cc1nnc(O)nc1SCC(=O)Nc1ccccc1Cl 15831087 IXVUUDHMRJUYLG-UHFFFAOYSA-N 310.766 2.270 0 40 DEAB Cc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCOCC1 15831783 LYDPLGBNKZASHQ-INIZCTEOSA-N 314.385 2.391 0 40 DEAB CCC(C)(C)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 96013692 WZDIKYJFLOIKQS-BFHYXJOUSA-N 311.470 2.059 0 40 DEAB O[C@]1(CNC2CCN(Cc3ccccc3Cl)CC2)CCOC1 90850329 GWLNDUKJARUBBJ-KRWDZBQOSA-N 324.852 2.045 0 40 DEAB C[C@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@@H](C)N1 70076461 GCTONJNMRQSOTI-PHIMTYICSA-N 311.223 2.200 0 40 DEAB COCCN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2C)C1 69350976 YZPQESWUYRWLSJ-MRXNPFEDSA-N 318.461 2.357 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)[nH]n1 69443117 ILAMGZWXBPLEAS-CQSZACIVSA-N 301.394 2.344 0 40 DEAB NC(=O)CCCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69519625 KOPVQQFJHQGLLQ-INIZCTEOSA-N 304.390 2.069 0 40 DEAB COc1cc(OC)cc(O[C@H](C)C(=O)NCC(F)(F)F)c1 9447419 FZRJUKBXBNTOFZ-MRVPVSSYSA-N 307.268 2.150 0 40 DEAB Cc1ccccc1CS(=O)(=O)N[C@H]1c2ccccc2C[C@H]1O 84243990 KPCHXQTVZPIJBR-SJORKVTESA-N 317.410 2.073 0 40 DEAB Cc1cccc(OCCCC(=O)N[C@@H]2CCc3nccn3C2)c1 97197698 BASBINLJXJFWGE-OAHLLOKOSA-N 313.401 2.482 0 40 DEAB Cc1cc(NC(=O)c2cnns2)cnc1N1CCCCC1 97081473 IOWYOFQZRUZKDX-UHFFFAOYSA-N 303.391 2.484 0 40 DEAB CNC(=O)CNC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 97081497 STHPGKFVYZROCM-ZDUSSCGKSA-N 315.776 2.221 0 40 DEAB O=C(NCc1cccc(Cn2cncn2)c1)[C@@H]1C[C@@H]1c1ccco1 84368220 ALFUNYFJJGWSGQ-JKSUJKDBSA-N 322.368 2.339 0 40 DEAB O=C(/C=C/c1c(Cl)nc2sccn12)NC1CCOCC1 84618405 VHDVNDCUBLBBAB-OWOJBTEDSA-N 311.794 2.358 0 40 DEAB CC(C)N1CCC[C@@H](N2CCC(C(=O)OC(C)(C)C)CC2)C1=O 95407283 JDVIQHIKDDHHTA-OAHLLOKOSA-N 324.465 2.440 0 40 DEAB CCC[C@@H]1CN(C(=O)CCCNC(=O)c2ccccc2)CCO1 89472981 WSBCPGCENDKJFB-MRXNPFEDSA-N 318.417 2.224 0 40 DEAB O=C(C1CC1)N1CCC[C@H](C(=O)N2C[C@H]3CC=CC[C@@H]3C2)C1 89598087 QWPSKXLNZVLJHH-OAGGEKHMSA-N 302.418 2.060 0 40 DEAB O=C(c1ccnnc1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 89782878 XGSFWXIRKIJORJ-INIZCTEOSA-N 315.348 2.202 0 40 DEAB O=C(CCn1cnc2ccccc21)NC[C@H](O)c1ccsc1 89878680 RSPRAOPGXDIETA-HNNXBMFYSA-N 315.398 2.338 0 40 DEAB CN1CC[C@H](NC(=O)c2cc[nH]n2)[C@@H]1c1ccc(Cl)cc1 89996917 MCTPQFLEWGJXQM-JSGCOSHPSA-N 304.781 2.238 0 40 DEAB Cc1cc(NCc2cc(Cl)c3c(c2)OCCO3)nc(N)n1 75668203 KYFZPYWINNYMDZ-UHFFFAOYSA-N 306.753 2.404 0 40 DEAB Cn1ncc(Cl)c1CN1CC[C@H](c2nc(C3CC3)no2)C1 551927856 DQCNWLIVBBPFSO-JTQLQIEISA-N 307.785 2.323 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1C 409385100 HMBZFQKESAYKJB-XJIUQZFPSA-N 301.342 2.286 0 40 DEAB C[C@H]1CN(C(=O)Cc2csc(-c3ccncc3)n2)C[C@H](C)O1 31864934 UFQKLACWEFTDLY-RYUDHWBXSA-N 317.414 2.383 0 40 DEAB Cc1c(C(=O)O)sc2ncnc(NC[C@H](C3CC3)N(C)C)c12 519161175 ALFSABJNCNDICT-SNVBAGLBSA-N 320.418 2.450 0 40 DEAB Cc1cnc(NC(=O)CC2(Cn3cnnn3)CCCCC2)s1 524735382 ZBMMLFKTBRSHDM-UHFFFAOYSA-N 320.422 2.417 0 40 DEAB Cc1cccc(N2CCN(C(=O)Nc3ccnn3C)CC2)c1C 124837011 YRLXAASRBUYNMT-UHFFFAOYSA-N 313.405 2.391 0 40 DEAB Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCCCCC2)o1 72241100 BYGNUPSPMGGOKN-HNNXBMFYSA-N 304.390 2.482 0 40 DEAB COC(=O)C1CCN(C(=O)COc2cc(C)cc(C)c2C)CC1 70846278 MYKWGOSUEKAKEK-UHFFFAOYSA-N 319.401 2.402 0 40 DEAB CCOc1cc2c(cc1CN1C[C@@H]3CCCN3C[C@H]1C)OCO2 72324727 AQHBQPOCPHUUKS-HIFRSBDPSA-N 318.417 2.483 0 40 DEAB Cc1cc(NC(=O)NC[C@H]2CCN(c3ccccc3)C2)n(C)n1 43432940 BFOMLDBMHMENFZ-CQSZACIVSA-N 313.405 2.377 0 40 DEAB O=C(NCc1ccccc1)c1cc(NC[C@H]2CCOC2)ccn1 79002386 HRGAJNGGBJHLFR-OAHLLOKOSA-N 311.385 2.460 0 40 DEAB CO[C@@H](C)CS(=O)(=O)N1c2ccccc2N(C)CC[C@@H]1C 225674491 RBBVPZKHQURKSA-STQMWFEESA-N 312.435 2.086 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)O 195542080 RNJZSPFHQIIFTH-FXBDTBDDSA-N 301.264 2.398 0 40 DEAB O=C(O)Cc1nc(CNc2ccc(C(F)(F)F)cc2)n[nH]1 40175869 STKSRSUVHHUQBW-UHFFFAOYSA-N 300.240 2.063 0 40 DEAB Cc1nc2scc(C3CC3)n2c1CNC[C@@]1(C)CCC(=O)N1 571762016 WWBLIAKKXFDGCZ-MRXNPFEDSA-N 318.446 2.340 0 40 DEAB CO[C@H](C)CNC(=O)NCc1ccc(Br)cc1 190523159 QNXOWXYLFVTPPR-SECBINFHSA-N 301.184 2.283 0 40 DEAB Cc1nnc2ccc(N(C)Cc3nc4c(s3)CCCC4)nn12 96447505 ZWVXMPKTYDWCEZ-UHFFFAOYSA-N 314.418 2.404 0 40 DEAB Cc1cc(NCCCn2c(=O)c(C)nc3ccccc32)ncn1 97237795 IHECIRPXSDUKIH-UHFFFAOYSA-N 309.373 2.306 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)CCn2cc(C)cn2)C12CCCC2 96432503 VPJXXALHJFUYIM-CABCVRRESA-N 305.422 2.436 0 40 DEAB CC[C@H](C(=O)Nc1ccc2c(C)n[nH]c2c1)N1CCCC1=O 91827601 TXFWHKDDDRPXSP-CQSZACIVSA-N 300.362 2.211 0 40 DEAB CN1CC[C@]2(CN(C(=O)c3ccc[nH]3)C[C@H]2c2ccccc2)C1=O 96201856 ZOHBQHKKPBNLND-HNAYVOBHSA-N 323.396 2.103 0 40 DEAB Cc1ccc(CN2C[C@@H](OCc3ccccn3)[C@H]3COC[C@H]32)o1 96055892 ISYRKYFIUMVTAI-RCCFBDPRSA-N 314.385 2.399 0 40 DEAB O=C(Cc1c[nH]c2ncccc12)NC[C@H](O)c1ccccc1F 96462570 WEKIVRRKYPWFKL-HNNXBMFYSA-N 313.332 2.094 0 40 DEAB Cc1noc(C)c1N(C)C(=O)c1cc(CC(C)C)[nH]c(=O)c1 96495100 CVJBUJLAWUZIBW-UHFFFAOYSA-N 303.362 2.455 0 40 DEAB COC(=O)CCNC(=O)C1(c2ccc(F)cc2F)CCCC1 90011050 LNIGLVSDCILQIX-UHFFFAOYSA-N 311.328 2.456 0 40 DEAB CNc1cc(C)nc([C@H]2CN(Cc3cscn3)CCO2)c1 257247430 IYZRCHFPYLSEPQ-OAHLLOKOSA-N 304.419 2.462 0 40 DEAB Cc1nccc([C@@H]2CCCN2C(=O)c2n[nH]c3c2CCCC3)n1 257213981 CJXSBCOQPPJQJN-HNNXBMFYSA-N 311.389 2.364 0 40 DEAB COCCN1CCC[C@@H](Cc2cnc(-c3cc(C)n[nH]3)cn2)C1 257252223 JTZKTURDAXAJGU-AWEZNQCLSA-N 315.421 2.076 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CC[C@H]2NCCCC[C@H]2C1 257305992 SSKRZGXTZKTPPD-DZGCQCFKSA-N 316.401 2.062 0 40 DEAB COc1ccccc1[C@H]1Cn2ccnc2CN1Cc1cc[nH]n1 257222781 DURKNKFUHXIMDT-OAHLLOKOSA-N 309.373 2.372 0 40 DEAB CNc1nccc([C@H]2CCCCN2Cc2cnc(OC)nc2)n1 257264699 LVRZWRCSZCRWHV-CQSZACIVSA-N 314.393 2.044 0 40 DEAB CN1CCCN(C(=O)N[C@H]2CCCOc3c(F)cccc32)CC1 272516308 NCVVFLFICXEPCH-HNNXBMFYSA-N 321.396 2.387 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)CCC(=O)O 299803597 FAFMZQYFHPVNHD-JSGCOSHPSA-N 309.362 2.478 0 40 DEAB c1cc(CNCc2nnc3n2CCCCC3)c2c(c1)OCO2 47697673 XJQMVXLIGFPDQL-UHFFFAOYSA-N 300.362 2.023 0 40 DEAB O=C(NCc1ccc(CO)c(F)c1)NCc1ccccc1F 53755984 UDCHVBAZKPDXHZ-UHFFFAOYSA-N 306.312 2.457 0 40 DEAB Cn1ccc(C(=O)Nc2ccc(-c3csnn3)cc2)cc1=O 57241692 WQBSUHWWUMFRRK-UHFFFAOYSA-N 312.354 2.156 0 40 DEAB COC(=O)c1ncn(Cc2ccc(OCC(F)(F)F)cc2)n1 72280965 CVEFXCQHGVQMOY-UHFFFAOYSA-N 315.251 2.054 0 40 DEAB in-vitro O[C@H](COc1ccc(F)cc1)Cn1cc(Br)cn1 95974736 JPEAYGMUZBCGQC-NSHDSACASA-N 315.142 2.225 0 40 DEAB C[C@H](OC(=O)c1ccoc1)C(=O)Nc1ccc2c(c1)OCCO2 16157602 QZYLCGPHACWRRO-JTQLQIEISA-N 317.297 2.235 0 40 DEAB O=C([C@H]1CC=CCC1)N1CC[C@H](S(=O)(=O)Cc2ccco2)C1 206691893 MZNBVGJWDGPXHG-ZFWWWQNUSA-N 323.414 2.152 0 40 DEAB O[C@@](CN=c1[nH]cnc2ncccc12)(c1ccccc1)C1CC1 1889180501 PUVLSKBVEORTMP-SFHVURJKSA-N 306.369 2.156 0 40 DEAB C[C@@H](NC(=O)CCc1nnc(-c2ccccc2)o1)[C@@H]1CCCO1 27871293 DYFAGHGEOMFYPV-OCCSQVGLSA-N 315.373 2.353 0 40 DEAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 182395 VSWJUCADBGKAMZ-KRXBUXKQSA-N 310.309 2.166 0 40 DEAB CC(C)(C)c1ccc(N2CC[C@H](COc3cnccn3)C2)nn1 2298182784 DFTZVZQRJMOSRE-ZDUSSCGKSA-N 313.405 2.469 0 40 DEAB Cc1n[nH]c(O)c1[C@@H](c1ccc(O)cc1)c1c(O)n[nH]c1C 20001983 SNYZPYNGAVSYBT-UHFFFAOYSA-N 300.318 2.047 0 40 DEAB CCOc1ccc(OC[C@@H](O)CN2CCCC[C@H]2CCO)cc1 102324935 VSONKLRWXJMQQO-HOTGVXAUSA-N 323.433 2.062 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1c1ccsc1 46481577 PNOANPDKYXCNFW-DZGCQCFKSA-N 323.462 2.315 0 40 DEAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nnnn1-c1ccccc1 76084220 YRODYYLXMWLCPL-SNVBAGLBSA-N 321.344 2.005 0 40 DEAB O=C(CCS(=O)(=O)CCC(=O)c1ccco1)c1ccco1 1563768 BZTYDXXRFNNHMJ-UHFFFAOYSA-N 310.327 2.133 0 40 DEAB O=C(Nc1cc(F)cc(N2CCCC2)c1)N[C@@H]1C=C[C@H](CO)C1 78993407 FVZPIJYTDNWVMC-GXTWGEPZSA-N 319.380 2.484 0 40 DEAB CN(C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 79066717 RHJLKACHRFFORA-GDBMZVCRSA-N 318.417 2.283 0 40 DEAB Cc1cncc(C(=O)N2CCN(CCc3ccccc3)CC2)c1 79382421 OCVVVZLHRSJBLY-UHFFFAOYSA-N 309.413 2.391 0 40 DEAB CN(C)[C@@H](CNC[C@@H](O)COc1ccccc1)c1cccs1 22029664 ZUTTXFHZQYLQCD-ZBFHGGJFSA-N 320.458 2.380 0 40 DEAB CCOC(=O)Cc1csc(NC(=O)CCc2cccnc2)n1 22282582 QEXAFAGFVMNURV-UHFFFAOYSA-N 319.386 2.215 0 40 DEAB Cc1nc(CC(=O)OCC(=O)c2ccc3c(c2)OCO3)cs1 22667018 HMYQIZHWZNJWES-UHFFFAOYSA-N 319.338 2.149 0 40 DEAB COC(=O)c1c(NC=O)c2cc(Br)ccc2n1C 8417105 WABZYBDZTPZRSZ-UHFFFAOYSA-N 311.135 2.296 0 40 DEAB O=c1c2c([nH]c3nc(NCc4cccc(Cl)c4)nn13)CCC2 100641652 HMFPEQKLDFMTIX-UHFFFAOYSA-N 315.764 2.172 0 40 DEAB C[C@H]1CCCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2C)C1 2916952 IOTQKSWXEPZJNM-LBPRGKRZSA-N 324.384 2.058 0 40 DEAB CC1CCN(c2ccc(C(=O)NC[C@@H]3CCCO3)cn2)CC1 20098105 OSCMHJRGWNDUSU-HNNXBMFYSA-N 303.406 2.227 0 40 DEAB O=C(Cc1cccs1)NC[C@@H]1CN(c2ccccc2)C(=O)O1 9068229 ONXQCXLCGVDBJU-CYBMUJFWSA-N 316.382 2.432 0 40 DEAB COc1cccc(NC(=O)C(=O)Nc2cccc(OC)c2)c1 3045451 YNSLSJWLSPXXCN-UHFFFAOYSA-N 300.314 2.281 0 40 DEAB in-vitro Cc1csc(CNC(=O)N2CCC(c3nc(C)no3)CC2)n1 61858319 AFUSOXDDJPEDNA-UHFFFAOYSA-N 321.406 2.232 0 40 DEAB CNC(=O)c1ccc(CNCc2cn(C)nc2C(C)C)cc1 42902420 NCOZJMVJDLBJSS-UHFFFAOYSA-N 300.406 2.193 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cnn(C)c1 25306847 DWPXVFBWCQPQCM-MRXNPFEDSA-N 310.357 2.323 0 40 DEAB O=C(COC1CCCC1)NCc1cccc(N2CCOC2=O)c1 56964817 QSHUIRSMNSZLHK-UHFFFAOYSA-N 318.373 2.219 0 40 DEAB COCc1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 44548945 KLJPJGMDRIIEOQ-CZUORRHYSA-N 320.414 2.226 0 40 DEAB O[C@H](COCc1ccccc1)CSc1nnc2ccccn12 58171412 XQOWYFQHXHCXDH-CQSZACIVSA-N 315.398 2.399 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 44894456 VEIIVDQBOHKJGC-UHFFFAOYSA-N 321.764 2.383 0 40 DEAB CC(C)C(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 27662068 JGVRJCFQUMSUEZ-OAHLLOKOSA-N 310.825 2.486 0 40 DEAB O=C(NC[C@H]1CCCO1)[C@H](c1ccccc1)N1CCSCC1 58282555 XVMZSEVHGXSGMT-CVEARBPZSA-N 320.458 2.072 0 40 DEAB CC(C)c1ccc(O)c(C(=O)Nc2nc(CC(N)=O)cs2)c1 58228387 HQHWSHFTEIGMHF-UHFFFAOYSA-N 319.386 2.252 0 40 DEAB CCOC(=O)c1cccnc1N1CCC[C@H](c2cc[nH]n2)C1 44980631 LOPDYQMFASTRSZ-LBPRGKRZSA-N 300.362 2.365 0 40 DEAB C[C@@H](C1CC1)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 58438185 XLKYAXNZRCDJCK-AWEZNQCLSA-N 317.433 2.192 0 40 DEAB CC(=O)N[C@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 58406337 FXSOSHSHKVADHD-RKDXNWHRSA-N 313.195 2.151 0 40 DEAB Cc1cc(C)n(CCC(=O)N2CCC[C@@H](n3ccnc3C)C2)n1 69810203 NUYSLFRFUCCKLS-MRXNPFEDSA-N 315.421 2.259 0 40 DEAB O=C(Nc1nc2ccccc2[nH]1)c1cn(-c2ccccc2)nn1 36830308 QKPNSMKFMHIATN-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB CCn1ncc2c(C(=O)NCCOC)cc(-c3ccccc3)nc21 12926597 HRDQHDXQZQZFLG-UHFFFAOYSA-N 324.384 2.494 0 40 DEAB CN(Cc1ccco1)S(=O)(=O)c1ccc(CCC(=O)O)cc1 13088751 ROGYEGQPLFXQTN-UHFFFAOYSA-N 323.370 2.118 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)NCC(=O)NC(C)C 14095177 LPXPHMWVNDNMKV-UHFFFAOYSA-N 311.385 2.311 0 40 DEAB Cc1ccnc2nc(C(=O)N3CCC[C@H]3CC(C)(C)C)nn12 65595973 IEVDZTPVDAQJTD-LBPRGKRZSA-N 301.394 2.474 0 40 DEAB CCc1nnc(NC(=O)c2cc3ccccc3c(=O)o2)s1 4540184 QFCGJQFPGHVIHM-UHFFFAOYSA-N 301.327 2.459 0 40 DEAB CCN(Cc1cnn(C)c1)C(=O)c1cc(F)cc2[nH]cnc12 65907710 POEUVBYNKFCYIN-UHFFFAOYSA-N 301.325 2.098 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(F)c1 67619866 KWZIUMOEGZJYTH-CQSZACIVSA-N 310.344 2.438 0 40 DEAB O=C1CNC(=O)N1CCCSc1ccnc2ccccc12 68053532 FDGOPMMEPRLOSS-UHFFFAOYSA-N 301.371 2.269 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)n1cc(Br)ccc1=O 7777630 VIEKUDIHXUETCU-VIFPVBQESA-N 313.195 2.231 0 40 DEAB CCSCCC(=O)NCC(C)(C)N1CCC(N(C)C)CC1 68502495 WZDXRVSSAVELSW-UHFFFAOYSA-N 315.527 2.050 0 40 DEAB Cc1cnc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)s1 69367289 LPLBFFVSWQPXSL-UHFFFAOYSA-N 322.367 2.359 0 40 DEAB C[C@@H](NCc1ccccc1N1CCOCC1)[C@@H](C)n1cccn1 69437985 JSKQWZKLIRPAHL-HZPDHXFCSA-N 314.433 2.459 0 40 DEAB Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCOCC1 69561827 SSKXTYHEVLQCBT-UHFFFAOYSA-N 317.389 2.095 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(CCc2cccnc2)[C@@H]1c1ccsc1 69665056 JALKTRFAMWEDJY-UKRRQHHQSA-N 316.382 2.360 0 40 DEAB Cc1nnc(SCC(=O)NCCc2ccccc2F)s1 8504926 ISEXGKOZTCZIPR-UHFFFAOYSA-N 311.407 2.437 0 40 DEAB CC1(C)CN(C(=O)c2cc3ccccc3o2)CCS1(=O)=O 96462362 UQVZAFJUKMOEHV-UHFFFAOYSA-N 307.371 2.082 0 40 DEAB CCc1ccc(C(=O)N(C)[C@@H](C(N)=O)c2cccc(F)c2)o1 71883932 RRFCJGWQMHUQOP-CQSZACIVSA-N 304.321 2.280 0 40 DEAB CCn1c(CN(C)C(=O)c2ccc(=O)[nH]c2)nc2ccccc21 71839214 JEIFOCMMTYBIQG-UHFFFAOYSA-N 310.357 2.017 0 40 DEAB Cc1nnc2n1C[C@H](NCc1cnc(C(C)(C)C)s1)CC2 97199380 WMKFBOACPFABRF-LLVKDONJSA-N 305.451 2.445 0 40 DEAB COCCCN(C)S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 71910231 QYFZBZBOFFWLIU-UHFFFAOYSA-N 324.402 2.307 0 40 DEAB CC(C)c1cc(C(=O)N(CCO)CCc2ccccc2)n[nH]1 71903219 IIJKGSWLBUCTRG-UHFFFAOYSA-N 301.390 2.210 0 40 DEAB CCCN(CC1CC1)C[C@@H](O)COc1ccc(C(=O)OC)cc1 9863809 UOZMCRBOZGDPQA-MRXNPFEDSA-N 321.417 2.335 0 40 DEAB C[C@H]1CCCC[C@@H]1CNC1CCN(C(=O)c2cnccn2)CC1 97086564 KIWXDLBZKVCECY-LSDHHAIUSA-N 316.449 2.497 0 40 DEAB CO[C@@H](C)C(=O)NCCNc1cccc(Br)c1 97048679 XDRRAVQVSHXEQZ-VIFPVBQESA-N 301.184 2.012 0 40 DEAB Cc1ccc(Cn2nccc2NC2CCN(C(N)=O)CC2)s1 97045217 PDPOBQDJYFBERR-UHFFFAOYSA-N 319.434 2.256 0 40 DEAB COC[C@@H](C)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 97084792 SMXHWQKHYCGIGE-SNVBAGLBSA-N 321.356 2.281 0 40 DEAB N[C@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 97092801 YISJUXSNYPUJRW-OLZOCXBDSA-N 307.825 2.116 0 40 DEAB CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H](CC(N)=O)C2CC2)c1 72297853 XLLKWQNJJRMQPY-WBMJQRKESA-N 318.417 2.348 0 40 DEAB COc1c([C@H]2CCCN2C(=O)c2cscn2)c(C)nn1C 72234464 PBLVSHQPXLXOQM-LLVKDONJSA-N 306.391 2.171 0 40 DEAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NC/C=C/c1ccccc1 72281522 MGBYZXDVCCSCTJ-DVFZLIDBSA-N 303.406 2.302 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(CCc2ccccn2)[C@H]1c1ccsc1 72275698 BXTNSAYFBJLBHM-HIFRSBDPSA-N 316.382 2.360 0 40 DEAB C[C@H](CC(N)=O)Nc1cnn(-c2ccccc2Br)c1 97231607 QKRRNTPWJJSVTK-SECBINFHSA-N 323.194 2.311 0 40 DEAB c1cnn(-c2cc(CNCc3ccc4c(c3)OCCO4)ccn2)c1 95350099 WBNAWSZVHWMBBE-UHFFFAOYSA-N 322.368 2.328 0 40 DEAB CCCNC(=O)CN(C)c1cc(-c2ccccc2OC)[nH]n1 95399820 UPAKMBOEMGHFEL-UHFFFAOYSA-N 302.378 2.048 0 40 DEAB O=C(CCCn1cccn1)N1CCC[C@@H]1c1noc(C2CC2)n1 84615248 GZRGWTBMKROTAT-CYBMUJFWSA-N 315.377 2.287 0 40 DEAB 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O=C(N[C@H]1CCC[C@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O 80028522 KAGSZRWBGGFKSD-GWCFXTLKSA-N 320.364 2.099 0 40 DEAB CCC(=O)Nc1ccc(NC(=O)NCCn2ccnc2)cc1 48390553 TWSIQYUJNDDZPY-UHFFFAOYSA-N 301.350 2.053 0 40 DEAB NC[C@@H]1CCCC[C@@H]1NS(=O)(=O)Cc1ccccc1Cl 195544591 CZGMKRKQSFLHSD-FZMZJTMJSA-N 316.854 2.277 0 40 DEAB Cc1cncc(C(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)c1 96461210 IWGICSHCGMDSRX-HUUCEWRRSA-N 305.422 2.009 0 40 DEAB Cc1cnc(S(=O)(=O)Cc2nc(C(F)(F)F)cs2)nc1 91576160 HPMBLLKEOPTMNY-UHFFFAOYSA-N 323.321 2.234 0 40 DEAB Cc1ccccc1C(=O)N1CC[C@]2(CCN2c2ncccn2)C1 96076159 DTDNFUISBODFTK-SFHVURJKSA-N 308.385 2.280 0 40 DEAB Cn1cncc1Cc1noc([C@H]2CCCN2c2nccs2)n1 333523416 ZWAFGLCBXBSLIN-LLVKDONJSA-N 316.390 2.192 0 40 DEAB CCn1cnnc1CNS(=O)(=O)c1ccccc1C(C)(C)C 96427735 GLCZCRATRSKFSY-UHFFFAOYSA-N 322.434 2.074 0 40 DEAB COc1ccc(NC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1CO 97103157 BENCBVOSAOUAMT-UPJWGTAASA-N 306.406 2.387 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CN(Cc3cscn3)CCO2)n1 257289720 PZWSIYPHFAVOLR-MRXNPFEDSA-N 318.446 2.486 0 40 DEAB CCCn1ccc(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)n1 257209951 BSNHRYQNXWYWGQ-ZDUSSCGKSA-N 301.394 2.111 0 40 DEAB COc1ccccc1[C@H]1CNCCN1C(=O)c1c(C)noc1C 257251369 JQLRKRUKDAMFHI-CQSZACIVSA-N 315.373 2.087 0 40 DEAB COc1ccc([C@@H]2CN(Cc3ccnc(C)n3)CCN2C)cc1 257306603 SUZUHDIPQKUCHD-SFHVURJKSA-N 312.417 2.282 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)CCn3ccnc3)C2)cn1 257334139 YESAPDGESQWHLN-KRWDZBQOSA-N 312.417 2.458 0 40 DEAB CC(=O)N1CCC[C@@H](Cc2cnc(Nc3ccccn3)cn2)C1 257256889 KNHOWJCEQUKICI-AWEZNQCLSA-N 311.389 2.416 0 40 DEAB O=C(NCCN=c1cc[nH]cc1)[C@H]1CC[C@H]1c1ccc(F)cc1 530262710 XTUCPZGVHJMGRE-IRXDYDNUSA-N 313.376 2.365 0 40 DEAB Cc1ccc(NC(=S)N(C)[C@@]2(C)CCS(=O)(=O)C2)cc1 575421846 SAOYJYVHXJHAAO-AWEZNQCLSA-N 312.460 2.201 0 40 DEAB OC[C@@H]1[C@H](O)[C@@H](c2ccccc2)CN1Cc1c(F)cccc1F 585292622 LOWVBDSBAVIWCN-FSPWUOQZSA-N 319.351 2.286 0 40 DEAB O=C1N(c2ncccn2)C[C@@]12CCCN(CC1CCCCC1)C2 585099509 PHMZNESIOWHLBX-SFHVURJKSA-N 314.433 2.486 0 40 DEAB Cc1nc2ccccc2nc1N1CCC[C@H](C(=O)NC2CC2)C1 50933620 FZUUGBUIGSAOGM-ZDUSSCGKSA-N 310.401 2.433 0 40 DEAB FC1(F)CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 795274232 LQZFVFJRJIRFQK-UHFFFAOYSA-N 307.226 2.379 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1 32644837 JQTIFDQMQCXZOR-SNVBAGLBSA-N 305.769 2.188 0 40 DEAB COc1cc(N[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc(OC)c1 13119877 VVZHXXVXEFAKDI-XQQFMLRXSA-N 322.405 2.140 0 40 DEAB Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)N1Cc1ccsc1 19286380 MLAIKGLLMAIEMZ-QWHCGFSZSA-N 301.415 2.272 0 40 DEAB CN1CCC[C@H](c2ncc3c(n2)CCN(Cc2cccnc2)C3)C1 19588692 KZJJUCAWRKVMCO-INIZCTEOSA-N 323.444 2.239 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H](OCC2CC2)C1 575414428 KPPRGSUACWFFEY-AWEZNQCLSA-N 318.373 2.491 0 40 DEAB Cn1c(S[C@H](C(N)=O)c2ccccc2)nnc1C(F)(F)F 11676576 PWCKZZPGNODFCZ-QMMMGPOBSA-N 316.308 2.153 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccccc1F 22480554 KWZMAXBPONLMGZ-UHFFFAOYSA-N 303.289 2.363 0 40 DEAB Cc1cnc(C)c(OC2CCN(Cc3coc(C)n3)CC2)n1 2087122776 ABVQHSZPQPPDHI-UHFFFAOYSA-N 302.378 2.433 0 40 DEAB CO[C@@H]1CCN(C2CCN(C(=O)Cc3cccc(C)c3)CC2)C1 1565519436 RQHAMDQRFPNIHF-GOSISDBHSA-N 316.445 2.249 0 40 DEAB Cc1ccccc1-n1ccn(Cc2cccc(F)c2)c(=O)c1=O 22722937 SUBTZVAHZHVLBZ-UHFFFAOYSA-N 310.328 2.495 0 40 DEAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3nccs3)C[C@H]2C[C@@H]1O 2332242650 FRKIAEIGTKFRKT-XGUBFFRZSA-N 318.446 2.092 0 40 DEAB CN(C)CCCNC(=O)C1CCN(Cc2ccccc2F)CC1 20100478 NNKXFYBZJHAALM-UHFFFAOYSA-N 321.440 2.106 0 40 DEAB COCc1cccc(C(=O)NCc2nnc3n2CCCCC3)c1 40489054 MWFWVXJIJXZIRN-UHFFFAOYSA-N 314.389 2.081 0 40 DEAB CC(C)Oc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1 101347767 FONBREZULKGBLS-CYBMUJFWSA-N 300.318 2.049 0 40 DEAB CC(C)CNC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 102020409 DOHXWLPGUBLKKQ-ZNMIVQPWSA-N 320.433 2.125 0 40 DEAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)NCc1cccnc1 29899700 HQYBXKQTOMERFK-OAHLLOKOSA-N 309.369 2.289 0 40 DEAB CCc1ccc(C(=O)N(CCC(N)=O)Cc2ccccc2)o1 46435004 QWCMQMGKABNWLV-UHFFFAOYSA-N 300.358 2.360 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)CCOCC(F)(F)F)C1 69947255 FGDKPFUMUIDHOL-GFCCVEGCSA-N 319.327 2.324 0 40 DEAB COCCn1c(S[C@@H]2CCN(C)C2=O)nc2ccccc21 78756776 GWVCFBQLZQZFSI-CYBMUJFWSA-N 305.403 2.006 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)NCc1sccc1C 79098551 LZXKPGWXSYLGGA-NSHDSACASA-N 318.464 2.021 0 40 DEAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(C)cc1 4944528 CIZJRRWMBCSPAI-NSHDSACASA-N 315.398 2.285 0 40 DEAB Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(=O)[nH]c2)c1 21961966 HFFYBLNEPDUVMW-UHFFFAOYSA-N 300.358 2.143 0 40 DEAB Cc1nccn1-c1cc(CNC(=O)Cc2cccs2)ccn1 47012148 ITADQIDYZBJZAH-UHFFFAOYSA-N 312.398 2.496 0 40 DEAB CCN(C(C)=O)c1nc(COc2ccccc2C(N)=O)cs1 22979115 JYBKJBPBRRIRPP-UHFFFAOYSA-N 319.386 2.194 0 40 DEAB O=C(CNC(=O)OCc1ccccc1)NCCc1ccccc1 3061474 PHBGASNKZBMUTL-UHFFFAOYSA-N 312.369 2.272 0 40 DEAB C[C@@H]1CN(c2ccc(C(=O)Nc3cccnc3)cn2)C[C@@H](C)O1 47585606 WOPBLNNIXKQJFD-CHWSQXEVSA-N 312.373 2.343 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 20110263 GYPRBLMCYYFSGH-GFCCVEGCSA-N 310.419 2.280 0 40 DEAB CCc1c(C(=O)N2CCO[C@H](C)C2)cnn1-c1ccc(F)cc1 24795172 ZKDDUMHKLYVYOA-GFCCVEGCSA-N 317.364 2.435 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@H](CC3)[C@H]2S(=O)(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]12 100366983 ZBFAHGPVNZFJMD-DKWFPTFUSA-N 304.411 2.146 0 40 DEAB COc1cc(C)c(S(=O)(=O)NCCCOC(C)C)cc1C 55215903 GZVLTOMFVBAMNW-UHFFFAOYSA-N 315.435 2.405 0 40 DEAB O=C(NCc1ccc(Br)s1)N[C@@H]1CCCOC1 171597901 LPUKTHAALFTUBY-MRVPVSSYSA-N 319.224 2.489 0 40 DEAB Cn1cc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cn1 25305163 ZHGVRYLQXQOBFB-OAHLLOKOSA-N 301.346 2.230 0 40 DEAB CCn1cc(NC(=O)NCCN2CCc3ccccc3C2)cn1 43644992 KGMULLFVJCCDTO-UHFFFAOYSA-N 313.405 2.083 0 40 DEAB COc1ccc([C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C(C)C)cc1 44370885 JMZGHEPBXVOPCJ-YOEHRIQHSA-N 318.417 2.377 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N2CCC(N3CC=CC3)CC2)c1 102680328 HMCYWPAEBSIJQG-UHFFFAOYSA-N 324.421 2.159 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(Br)cc1O 44491072 BTUOJMVNTXIOOB-VIFPVBQESA-N 324.178 2.170 0 40 DEAB CCOc1ccc(NC(=O)CNC(=O)[C@H]2CC=CCC2)cc1 58278131 DNIGIQIRSAUHQL-ZDUSSCGKSA-N 302.374 2.496 0 40 DEAB Cc1cc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)no1 58208576 XNZZONNWHWMWLJ-ZDUSSCGKSA-N 323.393 2.389 0 40 DEAB O=C(Nc1nc[nH]n1)[C@@H]1C[C@@H]1c1cccc(Br)c1 58267560 CWIPFLJLGRXWRW-NXEZZACHSA-N 307.151 2.309 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NCc2ccnc(N3CCCC3)c2)c1 44906682 TWTYFYSUBHZCOT-UHFFFAOYSA-N 312.373 2.143 0 40 DEAB C[C@H](C(=O)NCC1CC1)n1c(S)nnc1-c1cccs1 58418785 CXODFPPRNNYRLR-MRVPVSSYSA-N 308.432 2.383 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H](O)c1ccccc1F)C2=O 28912824 MYZJOIDUGULJGZ-ZLENFMNRSA-N 320.364 2.360 0 40 DEAB Cn1ccnc1[C@H](NC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1 28947001 NVJNIHFOLYWOMW-ZIAGYGMSSA-N 319.792 2.458 0 40 DEAB CC(C)(C)C[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(F)cc1 69570950 DOKPZYUMEXSQNV-NSHDSACASA-N 306.341 2.144 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)Nc1cccc(N2CCNC2=O)c1 69569739 JIUKGHGWTUTGDL-UHFFFAOYSA-N 314.349 2.200 0 40 DEAB CNC(=O)CN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 69538437 MAIMDHZBEOHBIV-LBPRGKRZSA-N 321.179 2.252 0 40 DEAB CC1(C)NC(=O)N(CCCN2CC[C@@H](c3ccccc3)C2)C1=O 69628783 CJZNRTGYGYCBDL-OAHLLOKOSA-N 315.417 2.196 0 40 DEAB CC(C)N(CC[S@](=O)c1ccccc1)Cc1cnn(C)c1 69740751 MQZQIFUUFOZTGG-OAQYLSRUSA-N 305.447 2.438 0 40 DEAB COc1ccc(Cl)cc1NC(=O)C[C@H]1CCS(=O)(=O)C1 4392727 DTUAJFXAIWGJHZ-SECBINFHSA-N 317.794 2.112 0 40 DEAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccccn1 5272287 XVSWOKMFALSUOY-LBPRGKRZSA-N 324.336 2.272 0 40 DEAB biogenic Cn1cccc1[C@H]1CCCCCN1C(=O)CCn1cncn1 65401469 SLDZLGHPPSYUNO-OAHLLOKOSA-N 301.394 2.151 0 40 DEAB CCc1nn(CC(=O)Nc2ccc(Cl)cc2F)c(=N)s1 6497122 NGGHKKGTMBPLIX-UHFFFAOYSA-N 314.773 2.418 0 40 DEAB CCOC(=O)c1cnn(-c2cc(Nc3ccccc3)ncn2)c1N 8715293 GHXLRTMLMYWOIG-UHFFFAOYSA-N 324.344 2.165 0 40 DEAB COc1cc(/C=C/C(=O)Nc2nncs2)cc(OC)c1OC 4694474 ULYCORUZIQDORF-SNAWJCMRSA-N 321.358 2.216 0 40 DEAB COc1cccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c1O 18265466 PONPZZJXGKIMCS-JLHYYAGUSA-N 310.309 2.498 0 40 DEAB NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1 5938273 MBYDCICEMAPRSN-UHFFFAOYSA-N 316.791 2.301 0 40 DEAB CCN(CC(=O)Nc1sccc1C(N)=O)Cc1cccs1 7613895 ALUREUITMVZBOB-UHFFFAOYSA-N 323.443 2.369 0 40 DEAB CC1(CCNC(=O)NCCc2ccccc2Cl)OCCO1 97115782 AUMQBQPINYZUJD-UHFFFAOYSA-N 312.797 2.335 0 40 DEAB CCN(CC)C(=O)CCC1CCN(c2ncc(F)cn2)CC1 96007539 ZSNUGHJFQDDRKY-UHFFFAOYSA-N 308.401 2.481 0 40 DEAB O=C1C[C@H](COC(=O)c2c[nH]nc2-c2ccccc2Cl)CN1 97147596 DYHFKBXHGJEVFR-VIFPVBQESA-N 319.748 2.023 0 40 DEAB CC[C@H]1CN([C@H](C(=O)NC(=O)NC)c2ccccc2)CCS1 72304999 GEJGQPBEXHGEFP-KBPBESRZSA-N 321.446 2.011 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)N1CCC2(CCOCC2)C1 72304602 ZTKSQMVNBXNCKX-UHFFFAOYSA-N 317.385 2.377 0 40 DEAB CCCCN1C(=O)C2(CCCCC2)NC12CCN(C(C)=O)CC2 96429912 KHDDOIOJOLPMDV-UHFFFAOYSA-N 321.465 2.260 0 40 DEAB COc1ccc(CN2CCCC[C@H]2Cn2cncn2)cc1F 71876150 YBIBYFRKRGKTLU-AWEZNQCLSA-N 304.369 2.481 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)[S@](=O)Cc1cc(C)on1 71859234 NGUMONLEOZJIKB-XFNZEKPQSA-N 322.386 2.268 0 40 DEAB CC(C)Oc1cccc(CC(=O)Nc2ccc(=O)n(C)c2)c1 71831416 ANDNJYIIHHOIFA-UHFFFAOYSA-N 300.358 2.354 0 40 DEAB CN(C)CCN1CCC(CNCc2ccc(F)cc2F)CC1 71857560 WMBBCMKHIDMFOR-UHFFFAOYSA-N 311.420 2.328 0 40 DEAB CCCC(=O)NC(=S)Nc1ccc(CN2CCOCC2)cc1 19922497 WVIGPHJOMQKEDC-UHFFFAOYSA-N 321.446 2.132 0 40 DEAB CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)c2nc(C)no2)cn1 83843429 MGPGHSSQHNVGGB-VHRBIJSZSA-N 305.382 2.023 0 40 DEAB COc1cccc(C2=CCN(Cc3nnnn3C3CC3)CC2)c1 83970573 FZXBKFCZHNBDAA-UHFFFAOYSA-N 311.389 2.306 0 40 DEAB COCCOCCCC(=O)OC[C@H]1Cc2cc(F)ccc2O1 83911732 HHGOZNNUFBCHSK-CQSZACIVSA-N 312.337 2.116 0 40 DEAB O=C1C[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(CO)cc1 97080281 HPORYZNKHSWYHJ-FQEVSTJZSA-N 321.376 2.322 0 40 DEAB O=c1[nH]c(Cn2c(-c3ccccc3)noc2=O)cc2ccccc12 97096243 REMWLVUGYMQCCE-UHFFFAOYSA-N 319.320 2.393 0 40 DEAB COc1cccc(CN(C)C(=O)C2=NN(C(C)C)C(=O)CC2)c1 72271679 ABZYSSWDCQJDQK-UHFFFAOYSA-N 317.389 2.040 0 40 DEAB C[C@@H]1CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408651208 NHIPRBYVXLJJST-SCVCMEIPSA-N 320.776 2.406 0 40 DEAB O=C(c1csc2ccccc12)N1CCOC[C@H]1c1ncon1 95995311 IRZJHFGGCHUWPJ-LBPRGKRZSA-N 315.354 2.498 0 40 DEAB O[C@@H](COCc1ccccc1)CN1CCC[C@@H](c2ncc[nH]2)C1 95972692 NFHOOECITZZHNY-IAGOWNOFSA-N 315.417 2.167 0 40 DEAB O=C(O)c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 111478465 ITJVTCBDEOXEEZ-CYBMUJFWSA-N 324.336 2.376 0 40 DEAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1CCOCC(=O)O 517382303 VKTINKABZOJSOQ-RISCZKNCSA-N 313.781 2.203 0 40 DEAB O=C(O)[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218454735 BNHOMUKBBPCQMG-ILXRZTDVSA-N 320.341 2.466 0 40 DEAB O=C(Nc1ccc2n(c1=O)[C@H](CO)CC2)OCc1ccccc1 34648691 LMENUGUAXKNTPL-AWEZNQCLSA-N 314.341 2.077 0 40 DEAB Cn1nc(C(F)(F)F)cc1NC(=O)N[C@]12C[C@H]1COC2(C)C 529130913 QOOZGIHRTKMTBO-JVXZTZIISA-N 318.299 2.128 0 40 DEAB Cc1nc([C@H](C)NC(=O)NCCCCn2ccnc2)cs1 78663498 SMTKGGNPNHGCBL-NSHDSACASA-N 307.423 2.489 0 40 DEAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1Cl 79763245 SBERBPLYDRNHCX-CYBMUJFWSA-N 320.751 2.306 0 40 DEAB Cc1cc(CCC(=O)O)nc([C@H]2CCCN2C2CCOCC2)n1 72367048 SVNMFNJRAPKFKU-OAHLLOKOSA-N 319.405 2.118 0 40 DEAB COc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2NCc2ccccc2)cc1 72321629 VJBXUYLIUGRUBI-NCXUSEDFSA-N 313.397 2.063 0 40 DEAB biogenic,in-vitro Cc1nnc(Nc2cccc(C3CCN(CCO)CC3)n2)s1 72380433 MVGLGSJDFRJESC-UHFFFAOYSA-N 319.434 2.157 0 40 DEAB Cc1snnc1C(=O)Nc1cnn(Cc2ccc(F)cc2)c1 72239900 WZLUQUCPJAGEJJ-UHFFFAOYSA-N 317.349 2.483 0 40 DEAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCCOC 222752071 BCZMWWMAICPFLE-HNNXBMFYSA-N 320.433 2.357 0 40 DEAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2cc(Cl)ccc2C)n1 225966276 VKIIOGDWFSFAKT-UHFFFAOYSA-N 306.705 2.095 0 40 DEAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(C(C)C)cc2)n1 225966030 HVYWILRNYBUQIX-UHFFFAOYSA-N 300.314 2.257 0 40 DEAB O=C(NCc1cccs1)N1CCC[C@H](Oc2cccnn2)C1 225457682 ZNMANFBGXGJJHL-LBPRGKRZSA-N 318.402 2.291 0 40 DEAB CC[C@@H](NC(=O)NCCc1nnc2n1CCC2)c1cccs1 86369931 MCBPDUDSKAJMEF-LLVKDONJSA-N 319.434 2.279 0 40 DEAB Cc1cc(C)nc(NC(=S)NCc2ccc3c(c2)OCO3)n1 226013976 MJVVSWXOIBNAPJ-UHFFFAOYSA-N 316.386 2.309 0 40 DEAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)C(=O)O 570970806 RWYWBSOFTRSKSC-LURJTMIESA-N 318.251 2.323 0 40 DEAB CCn1cc(S(=O)(=O)Nc2cccc3c2OCCC3)nc1C 328986885 HCTVGKSASMLNDF-UHFFFAOYSA-N 321.402 2.337 0 40 DEAB Cc1ccc2c(c1)[C@@H](NC(=O)NCCc1nnc(C)s1)CO2 576039450 XUBVREFWOOOTMT-LBPRGKRZSA-N 318.402 2.130 0 40 DEAB O=C(c1n[nH]c2c1CN(Cc1cccs1)CC2)N1CC=CC1 96066594 DYZVKMUAWHOSAF-UHFFFAOYSA-N 314.414 2.042 0 40 DEAB O=C(Nc1nccs1)N1CCC[C@H](c2nnc3n2CCC3)C1 95405442 ZOROMWXGLBMSAM-JTQLQIEISA-N 318.406 2.092 0 40 DEAB Cc1cc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)ccc1F 96459924 QUAPYZIXVNCPCO-NEPJUHHUSA-N 300.351 2.257 0 40 DEAB Cc1cc(=O)c(O)c([C@@H](CC(=O)N2CCOCC2)CC(C)C)o1 96232301 JHLXJQPMMQYGNF-CYBMUJFWSA-N 323.389 2.032 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(C1CCC1)=NC2=O 95483734 MPNRYCVXHPTYTD-UHFFFAOYSA-N 307.394 2.085 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)s1 96053992 MVHKNHOVDSLGRA-KBPBESRZSA-N 300.431 2.415 0 40 DEAB Cc1ccc(N2Cc3c(Cn4cccn4)nn(C(C)C)c3C2)nn1 96259167 BMUIIJWDGREMAJ-UHFFFAOYSA-N 323.404 2.327 0 40 DEAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CSCC(N)=O)o1 96433273 BKOICPJZWVAJAQ-WCQYABFASA-N 324.446 2.360 0 40 DEAB COC(=O)[C@@H](O)C1CCN(CCSC2CCCCC2)CC1 252478811 AVKNCRUZMXWCGX-HNNXBMFYSA-N 315.479 2.298 0 40 DEAB Cc1nc(CC(=O)N2CCNC[C@@H]2c2ccccc2)cs1 257325593 WTQOKYDWVOBLLH-OAHLLOKOSA-N 301.415 2.167 0 40 DEAB COc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc(C)c[nH]2)c1 257233621 GQABONXJMJNTJP-AWEZNQCLSA-N 321.402 2.253 0 40 DEAB O=C(c1ccncc1)N1CCC[C@H](c2ccnc3nccn23)C1 257247821 JARLVZJHXRYJDD-AWEZNQCLSA-N 307.357 2.144 0 40 DEAB CCOC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccccc3)[C@H]2C1 253383818 MSABRBUHAQLMFH-ULQDDVLXSA-N 303.402 2.272 0 40 DEAB Cn1cc([C@](C)(O)CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)cn1 253396909 WDRLIRPRTUFYGV-RAIGVLPGSA-N 305.344 2.338 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccccc1OC 257335464 YKGAQBXKRHXGLL-CJNGLKHVSA-N 304.390 2.083 0 40 DEAB O=C(c1ccsc1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 96025341 AOATXOKPEPLKKS-CQSZACIVSA-N 321.423 2.437 0 40 DEAB O=C(c1ccsc1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575608246 XHLOOHHZJQCVOI-LLVKDONJSA-N 309.778 2.485 0 40 DEAB O=C(NCc1nnc2n1CCCCC2)N1CCc2ccccc21 43229567 CHFKHCAGMBKKPX-UHFFFAOYSA-N 311.389 2.277 0 40 DEAB COCc1nc(C)cc(N[C@H](CO)c2csc(C(C)C)n2)n1 585141785 FTXIJABUJAZBHL-LLVKDONJSA-N 322.434 2.657 0 40 DEAB CCn1ccnc1CN1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 585278894 IISUDRNBVFYIFA-WBVHZDCISA-N 317.408 2.468 0 40 DEAB C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCSCC1 47993159 VKTYTJXGRQHVRX-OCCSQVGLSA-N 306.431 2.064 0 40 DEAB O=c1[nH]ncc(NCc2cccc(Cn3ccnc3)c2)c1Cl 51856255 YFXSAXKFKCSZCB-UHFFFAOYSA-N 315.764 2.280 0 40 DEAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCN(CC2CC2)CC1 55669058 WACIQJZMDHJYEZ-UHFFFAOYSA-N 322.792 2.237 0 40 DEAB CCn1c(C)cc(C(=O)NCCc2nnc3n2CCCC3)c1C 97101031 LDXQLZTVUFCGTI-UHFFFAOYSA-N 315.421 2.025 0 40 DEAB CCn1c(CC(F)(F)F)nnc1N1CCO[C@@H](C(C)C)C1 569339301 AXZARJBMQFZIMA-SNVBAGLBSA-N 306.332 2.264 0 40 DEAB OC[C@H]1CCCN(C[C@@H](O)c2ccccc2Br)C1 95433508 CBTQEXUQLSGJHV-SMDDNHRTSA-N 314.223 2.187 0 40 DEAB O=C(NC1CCCCC1)N1CCN(C(=O)c2ccccc2)CC1 5601408 ILSYHDRNOSWBEW-UHFFFAOYSA-N 315.417 2.487 0 40 DEAB O=C1N[C@@]2(CCCN(C(=O)c3ccco3)C2)Oc2ccccc21 12183777 LNXNYSXHQKHNNL-KRWDZBQOSA-N 312.325 2.034 0 40 DEAB CC(=O)N[C@H](c1ccccn1)C1CCN(C[C@@H]2CCOC2)CC1 19020431 NGQNHBIFCGPSPW-YJBOKZPZSA-N 317.433 2.007 0 40 DEAB c1ccc(-c2cc(CNC[C@H]3CCCO3)c3nnnn3c2)cc1 19374020 LMNKUFJXBLFTIZ-MRXNPFEDSA-N 309.373 2.060 0 40 DEAB Cc1cc(C)n(C2=NCCN2C(=O)C(Cl)=C(Cl)Cl)n1 159661 HWAVNQAHPRMCHX-UHFFFAOYSA-N 321.595 2.432 0 40 DEAB O=C(O)c1ccc(-n2ncc(NC3CC3)c(Cl)c2=O)cc1 13277044 UQCLTZAJFJKKNS-UHFFFAOYSA-N 305.721 2.158 0 40 DEAB COc1cc(OC)c(OC)cc1CN[C@@H](C)Cn1ccnc1 30909694 NRSCLEIIMBNDCL-LBPRGKRZSA-N 305.378 2.087 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 40490033 ICGKBPJGQWGHGL-GFCCVEGCSA-N 308.765 2.238 0 40 DEAB CNS(=O)(=O)c1cc(NC(=O)c2ccc(C)o2)ccc1C 32678710 LZEXOHJQHRBYQM-UHFFFAOYSA-N 308.359 2.057 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc2ccccc2c(=O)[nH]1 46385360 NXXZRIIBMPSYDX-CQSZACIVSA-N 320.348 2.262 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1 41129450 UFZIAJCTKYWGRN-GFCCVEGCSA-N 320.820 2.486 0 40 DEAB Cc1nn(C)c(NS(=O)(=O)c2cccc(F)c2F)c1C 78612486 ZYPOFYAVKDGXCO-UHFFFAOYSA-N 301.318 2.116 0 40 DEAB O=C(NC[C@@H]1CCCO1)N(C[C@H](O)c1ccccc1)C1CC1 78999302 KSGRJSFQUTVYLI-HOTGVXAUSA-N 304.390 2.073 0 40 DEAB COC(=O)c1nn(Cn2nc(C(F)(F)F)cc2C)cc1Cl 12395053 NGUJWAOKCXMMOT-UHFFFAOYSA-N 322.674 2.353 0 40 DEAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)C(F)(F)F 8560926 MUESHAOTNFOOQQ-UHFFFAOYSA-N 313.264 2.354 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NC2[C@@H]3CCCC[C@@H]23)cc1 102924365 JIRRNKIYARHKRO-CHWSQXEVSA-N 308.403 2.172 0 40 DEAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1(CCO)CCOCC1 97143320 QULRIYFFARCVLU-OLZOCXBDSA-N 309.431 2.208 0 40 DEAB O=C(Nc1ccccn1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 12527756 HDIAFWISADDROZ-AWEZNQCLSA-N 311.341 2.451 0 40 DEAB CCC(=O)Nc1nnc(-c2cccc(S(=O)(=O)C(C)C)c2)o1 9814804 IKIZACZDFIRBHF-UHFFFAOYSA-N 323.374 2.267 0 40 DEAB CC(C)CC(=O)Nc1ccc(Nc2ccc3nnnn3n2)cc1 23055157 WGQORGIEWWLYPN-UHFFFAOYSA-N 311.349 2.248 0 40 DEAB CCn1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)n1 57280466 PRZBAJQWBAPMSQ-UHFFFAOYSA-N 312.373 2.409 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NCC(=O)O)CC1 100177976 IKGJCWICARHVRA-GASCZTMLSA-N 320.389 2.240 0 40 DEAB CCn1c(=O)cc(C(=O)OC)s/c1=N\c1ccc(F)cc1 1441844 VBZIWBPFVMCSGN-PEZBUJJGSA-N 308.334 2.088 0 40 DEAB COCc1ccccc1CNC(=O)Cc1c(C)nn(C)c1C 25306547 DZKOCZORKMJSPT-UHFFFAOYSA-N 301.390 2.042 0 40 DEAB C[C@H](SCc1ccccc1)C(=O)NCCNc1cnccn1 48263619 ZWLCQEZNLNXZCO-ZDUSSCGKSA-N 316.430 2.327 0 40 DEAB C[C@H](Cc1ccc(O)cc1)NC(=O)NCCN1CCCCC1 56769108 CXZUOIIDAUZFTG-CQSZACIVSA-N 305.422 2.108 0 40 DEAB COc1ccc(C)cc1-n1nnnc1SC[C@@H]1CCCO1 3376698 WEWUSMJPEOFVDD-NSHDSACASA-N 306.391 2.250 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1 58166105 WCFLQIJENTWFEK-FZMZJTMJSA-N 313.357 2.442 0 40 DEAB NC(=O)c1cccc(CNC(=O)NCCCc2ccccc2)c1 29320878 FVLRAJUMBKTKBW-UHFFFAOYSA-N 311.385 2.218 0 40 DEAB Cc1cc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)no1 29538163 CCEUNYHHQAQISO-CQSZACIVSA-N 319.336 2.134 0 40 DEAB COc1ccc(CCN2C(=O)c3ccccc3[C@H]2O)cc1OC 13845117 LKQOIABWYRPHJU-QGZVFWFLSA-N 313.353 2.393 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6328812 SIRCGCMPFGQRGM-DOMZBBRYSA-N 324.446 2.245 0 40 DEAB CN1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1 65458432 GWQMOWCOQGLDIR-UHFFFAOYSA-N 317.414 2.110 0 40 DEAB O=C(COCCc1ccccc1)N1CCC[C@H](n2cccn2)C1 65609685 HVBCOHSPXZAEMP-KRWDZBQOSA-N 313.401 2.306 0 40 DEAB CC(C)[C@H](C)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 8236111 CPCGSOPDHFNAPT-JTQLQIEISA-N 305.407 2.120 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ccccc1 6848309 WYEFFCZWDVLIFG-SNVBAGLBSA-N 321.354 2.130 0 40 DEAB CC1CCN(C(=O)CN2CCO[C@@H](c3cccc(F)c3)C2)CC1 66849411 PMFAERWIWJHDJN-QGZVFWFLSA-N 320.408 2.458 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 4975720 YOAAVUQOAVCKRZ-LBPRGKRZSA-N 317.389 2.231 0 40 DEAB COc1cc(OC)cc([C@@H]2N=C(N)Nc3nc4ccccc4n32)c1 7127164 VDRFXMQMPFISJH-OAHLLOKOSA-N 323.356 2.341 0 40 DEAB CCCCn1c(SCC(=O)c2ccc(F)cc2)n[nH]c1=O 7345305 RGJKFFYVEPEBOB-UHFFFAOYSA-N 309.366 2.486 0 40 DEAB O[C@@H](COc1ccc2ccccc2c1)CN1CCn2ccnc2C1 97201358 YXPYKQACGWHJIG-QGZVFWFLSA-N 323.396 2.292 0 40 DEAB Cc1cccc(C(=O)NCC(=O)Nc2ccc3c(c2)CN(C)C3)c1 95350459 TZBUGIVWVPKMOM-UHFFFAOYSA-N 323.396 2.309 0 40 DEAB O=C(CNC(=O)C1CCCCC1)NCCCOc1ccccc1 9114121 DRSWDQPQKUAVKR-UHFFFAOYSA-N 318.417 2.268 0 40 DEAB O=C(Cn1ccnc1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95434239 XWNHZIDIWRSAQU-HUUCEWRRSA-N 317.389 2.371 0 40 DEAB C[C@@H](NC(=O)CS[C@@H]1CCc2c(F)cccc21)C(=O)N(C)C 95418072 SIZJUDDJUYVQAD-QMTHXVAHSA-N 324.421 2.139 0 40 DEAB Cc1csc2nc(CN(C)C[C@H]3CCCCO3)cc(=O)n12 71821821 VPIGCUJSCLTOQA-CYBMUJFWSA-N 307.419 2.065 0 40 DEAB CO[C@H]1CCCC[C@H]1NC(=O)N1CCC(n2ccnc2)CC1 83897689 SWRDJZWYQWGPJH-CABCVRRESA-N 306.410 2.187 0 40 DEAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1CCC(=O)N1CCOCC1 71914928 QBXPOMIWPRXXHL-HOCLYGCPSA-N 320.408 2.252 0 40 DEAB CCO[C@H](C)C(=O)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1 84800576 UTMDQBBLXFZTOU-NEPJUHHUSA-N 301.383 2.354 0 40 DEAB CCSc1cncc(N[C@@H]2CCCN(c3ncccn3)C2)n1 72274379 SUEPVZMEAPPADE-GFCCVEGCSA-N 316.434 2.460 0 40 DEAB COc1c([C@H]2CCCN2C(=O)c2cc(C)on2)c(C)nn1C 72234265 FHOTYNYAQSLFOK-GFCCVEGCSA-N 304.350 2.011 0 40 DEAB CN1CCN(C2CCN(c3nc4ccccc4o3)CC2)C1=O 72276410 MENRCHSHWVCZIN-UHFFFAOYSA-N 300.362 2.164 0 40 DEAB COc1cc(C)sc1C(=O)N[C@H]1CCc2nc(C)cn2C1 72283289 UVQDLWJJDACKMC-NSHDSACASA-N 305.403 2.315 0 40 DEAB CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H](CC(N)=O)C2CC2)c1 72297852 XLLKWQNJJRMQPY-LRDDRELGSA-N 318.417 2.348 0 40 DEAB CCCCc1oc2ccccc2c1CN(C)CC(=O)NC(N)=O 26300822 GJTHNEZQFSLKOL-UHFFFAOYSA-N 317.389 2.402 0 40 DEAB NC(=O)c1cc(Cl)nnc1NC[C@H]1OCCc2sccc21 75091847 PLLRZNFHGBJBFN-SECBINFHSA-N 324.793 2.016 0 40 DEAB COC(=O)CCC(C)(C)NC(=O)[C@@H]1CSc2ccccc2O1 75138519 VOFDOKMIPMDOMA-LBPRGKRZSA-N 323.414 2.388 0 40 DEAB O=C(NC[C@@]1(O)CCSC1)N[C@@H](Cc1ccccc1)C1CC1 89830109 DDQFJMOKJVYSHH-RDJZCZTQSA-N 320.458 2.175 0 40 DEAB CN1CCN(C2CCN(CCOc3ccc(F)cc3)CC2)C1=O 75603998 WAMIWUJHKUXBBF-UHFFFAOYSA-N 321.396 2.036 0 40 DEAB CCn1ncc(CNC(=O)c2ccc(OC)cc2OC)c1C 28575097 SXIBVROWWKNESA-UHFFFAOYSA-N 303.362 2.159 0 40 DEAB CCOc1ccc(-c2cc(C(=O)N3CCC(N)CC3)[nH]n2)cc1 72221287 YRDDYUZIIPYZTA-UHFFFAOYSA-N 314.389 2.039 0 40 DEAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(=O)[nH]c1 36662415 JSVXOHSFZVXKPG-UHFFFAOYSA-N 301.327 2.021 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3ccccn3)C2)n1 79492406 ZGGPSIYXQYXXCY-CQSZACIVSA-N 311.389 2.344 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3cccc(C(F)(F)F)n3)nn12 78395070 YXMQHKZLYKBXKO-UHFFFAOYSA-N 322.250 2.099 0 40 DEAB CC(C)[C@H](N)C(=O)N1CC[C@H](N(Cc2ccccc2)C(C)C)C1 79415876 VZXIAQORMWPDFR-ROUUACIJSA-N 317.477 2.481 0 40 DEAB Cc1noc([C@@H](C)NC(=O)C[C@@H]2OCCc3ccccc32)n1 79357791 WTOMZNFOGAJQHX-YGRLFVJLSA-N 301.346 2.259 0 40 DEAB COCCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 44385558 UFRPUIAXUXJUPI-UHFFFAOYSA-N 316.810 2.450 0 40 DEAB COc1cn(C)c(C(=O)Nc2cc(F)c(F)c(F)c2)cc1=O 49544639 BKHLPMVJOBKKCC-UHFFFAOYSA-N 312.247 2.064 0 40 DEAB O=C(c1cccc2ccccc12)N1CC[C@@H](N2C(=O)COC2=O)C1 225702333 BIUQHCBLCKBWBZ-CYBMUJFWSA-N 324.336 2.033 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@@H]1C[C@H]1C)c1ccc(OC)c(OC)c1 44889115 ANIRVZCXDGTGRS-RTXFEEFZSA-N 321.373 2.080 0 40 DEAB Cn1cc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)cn1 192402190 ZEDSKIKLCJCKGP-UHFFFAOYSA-N 319.792 2.197 0 40 DEAB COc1ccccc1C[C@@H](C(=O)O)N(C)C(=O)c1ccccc1 225413570 CXTFOCGXZKYKEM-HNNXBMFYSA-N 313.353 2.463 0 40 DEAB biogenic,in-vitro Cc1noc(C2CN(C(=O)CSCc3ccccc3)C2)n1 49482413 CUVZVCUQDNDGFT-UHFFFAOYSA-N 303.387 2.237 0 40 DEAB CC[C@H](Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1)C(N)=O 190796598 KTZIEPRQIACMEU-KRWDZBQOSA-N 318.465 2.201 0 40 DEAB O=C(c1ccnc2ccncc12)N1CCCC[C@H]1[C@@H]1CCNC1 333856750 RCUOKGBANQOMNQ-DYVFJYSZSA-N 310.401 2.234 0 40 DEAB CCCCCNC(=O)CSc1nc(-c2ccccn2)n[nH]1 96409188 ZDYCGUFJVVQDFA-UHFFFAOYSA-N 305.407 2.265 0 40 DEAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3cnoc3C)C2)C1 96073411 KXXMBJIGGOTUHM-XJKSGUPXSA-N 308.378 2.031 0 40 DEAB CN(CC(C)(CO)CO)C(=O)c1ccccc1-c1ccccc1 97236683 JRRGUKSZABCSOD-UHFFFAOYSA-N 313.397 2.417 0 40 DEAB Cc1noc(C)c1CN1CCC2(CC1)CCN2c1ncccn1 96078000 IJAWOMVCVBDHIC-UHFFFAOYSA-N 313.405 2.326 0 40 DEAB CCN1CC[C@]2(CN([C@@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201877 WOKICLZRSPNFRY-ZIFCJYIRSA-N 314.429 2.113 0 40 DEAB Cc1cc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)n(C)n1 96192937 ACYNSUCQYSVFIB-MRXNPFEDSA-N 316.336 2.389 0 40 DEAB COCc1cncc2c1CCN(C(=O)Cc1cccs1)C2 247827335 GIBWFWQQVVWRFF-UHFFFAOYSA-N 302.399 2.417 0 40 DEAB Cc1csc(Nc2cc([C@H]3CCN(CCO)C3)nc(C)n2)n1 257310054 UDMUIPIMGTVSCV-LBPRGKRZSA-N 319.434 2.075 0 40 DEAB COCCNC(=S)Nc1nc(C)cc(N2CCCC[C@H]2C)n1 260739989 RJFKDIDXZRUFJC-GFCCVEGCSA-N 323.466 2.097 0 40 DEAB COC(=O)N1CCC(CNC(=O)c2ccc(OC)c(F)c2)CC1 96120364 WDFIPWAAPANWDO-UHFFFAOYSA-N 324.352 2.043 0 40 DEAB Cc1cncc(CO[C@@H]2CCOC3(C2)CN(C(=O)C(C)C)C3)c1 575405878 VJBZKXXOMHONFS-MRXNPFEDSA-N 318.417 2.323 0 40 DEAB CO[C@H]1CN(CC2(O)CCOCC2)CC[C@@H]1Cc1ccccc1 585279786 OZAPLNGUGVNIPI-MSOLQXFVSA-N 319.445 2.108 0 40 DEAB CN1CCC[C@H]1c1ccnc(N2CC3(CCOCC3)OC2=O)c1 585178791 DZACOUUXQNDDKG-AWEZNQCLSA-N 317.389 2.354 0 40 DEAB CCN(CC)CC[C@@H]1CN(CC2CCOCC2)Cc2ccnn21 585112441 QSGLAAXLYASMLQ-GOSISDBHSA-N 320.481 2.398 0 40 DEAB O=C(O)c1c(O)cnc2cccc(I)c12 685936935 GDPLDVFAZIUFHZ-UHFFFAOYSA-N 315.066 2.243 0 40 DEAB CN(Cc1cnccn1)[C@H]1CCCN(Cc2ccccc2)C1=O 89908563 GOFRCJPTUKZQFD-KRWDZBQOSA-N 310.401 2.100 0 40 DEAB CC(=O)N(C)CCc1nc(-c2ccc(NC(N)=O)cc2)cs1 95435836 GUCYBSSGJPIUJO-UHFFFAOYSA-N 318.402 2.322 0 40 DEAB CCn1cc(Br)c(C(=O)Nc2nnc(C)s2)n1 2782593 SZEKOQHAARMYEQ-UHFFFAOYSA-N 316.184 2.078 0 40 DEAB Cc1ccc(-c2nc(CNC(=O)[C@]3(C)CCCO3)no2)cc1 12195288 VLZYRADOENOZGU-INIZCTEOSA-N 301.346 2.230 0 40 DEAB CC(C)(C)CC(=O)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19082712 IRMANXDNPSQPHS-AWEZNQCLSA-N 302.422 2.222 0 40 DEAB CCOc1ncccc1-c1noc(CN2C[C@H](C)O[C@H](C)C2)n1 19531581 IGRUGFKMBNGHHG-TXEJJXNPSA-N 318.377 2.140 0 40 DEAB O=C(C1CC1)N1CCC(COc2cc3c(nn2)CCCC3)CC1 1775995089 AYOJTFFFKQKMDB-UHFFFAOYSA-N 315.417 2.383 0 40 DEAB Cc1cc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)no1 38903634 WNCNQAZINSWTHK-UHFFFAOYSA-N 302.334 2.263 0 40 DEAB CCN(CC)CCNC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062494 BYIFTSSFLBNHHX-UHFFFAOYSA-N 315.417 2.127 0 40 DEAB Cc1nccn1CCCNC(=O)c1nc(-c2ccccc2)no1 4625349 MXZUSNRGFFIQHE-UHFFFAOYSA-N 311.345 2.062 0 40 DEAB O=C(NCc1cccnc1N1CCOCC1)c1ccc(Cl)o1 31328820 JVBMFEVRAOKYAC-UHFFFAOYSA-N 321.764 2.095 0 40 DEAB O=C1CNC(=O)N1CCCSc1nnc(C2CCCCC2)o1 40555745 ITJOICADZXGVJM-UHFFFAOYSA-N 324.406 2.151 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)N[C@@H](C)[C@@H]3CCCO3)cc2c1 40519882 QKVDWNWNQRRGQW-HZMBPMFUSA-N 318.373 2.482 0 40 DEAB O=C(/C=C/c1ccco1)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 101219689 JQEFLNVBRACZJH-GWJCSSMESA-N 324.336 2.137 0 40 DEAB CC(C)[C@H](NC(=O)Cn1cnnn1)c1ccc(C(C)(C)C)cc1 32744923 IDGBNKUODSJVJO-INIZCTEOSA-N 315.421 2.484 0 40 DEAB O=c1[nH]ncc(NC[C@@H]2CCN(c3ccccc3)C2)c1Cl 29624600 XXFBEZJMTUYZJX-NSHDSACASA-N 304.781 2.362 0 40 DEAB C[C@@H](C(=O)NOCc1ccccc1)n1nnc(-c2ccccc2)n1 79329504 FDUKGCNDDZTKBC-ZDUSSCGKSA-N 323.356 2.149 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)NCCc1cccs1 32988756 VVZWHUXJROGNBP-UHFFFAOYSA-N 309.412 2.124 0 40 DEAB O=C(NCc1cccc(OCc2ccccn2)c1)[C@H]1CCCO1 32931149 YAIHDOSFBDMKPJ-QGZVFWFLSA-N 312.369 2.456 0 40 DEAB CC(C)n1nnnc1-c1ccccc1NC(=O)[C@H]1CCCOC1 96010226 KQPHCQRHRDELIH-LBPRGKRZSA-N 315.377 2.286 0 40 DEAB COc1ccccc1NC(=O)C[C@H](C)NC1CCC(O)CC1 8750783 PCVPRQZHLVIYMB-HSBZDZAISA-N 306.406 2.305 0 40 DEAB COc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 2786579 WFFHQYKKOBPGIC-UHFFFAOYSA-N 324.380 2.293 0 40 DEAB CC[C@@H]1CCCN(C(=O)[C@@H](Cc2ccccc2)n2cnnn2)C1 41881087 PWJJOBRNOOPXQN-GDBMZVCRSA-N 313.405 2.106 0 40 DEAB O=C(OCCCn1cnc2ccccc2c1=O)c1cccnc1 22469028 MRNOMGYWERLUNL-UHFFFAOYSA-N 309.325 2.039 0 40 DEAB biogenic Cc1cccc(CN2CCN([C@H](C)C(=O)NC(C)C)CC2)c1 22778458 JNZJVQWDAMZNCA-MRXNPFEDSA-N 303.450 2.026 0 40 DEAB O=C(NCc1ccnc(OC2CCCC2)c1)NC[C@@H]1CCCO1 47579672 CROYULZCOYBXKL-HNNXBMFYSA-N 319.405 2.381 0 40 DEAB O=C(Nc1ccc(F)cc1)c1nnc(Cn2ccnc2)s1 12535263 PCAWDNMLTIOEJG-UHFFFAOYSA-N 303.322 2.174 0 40 DEAB COc1ccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccccc3)C2=O)cc1 101144785 ORUUHMIUZYIJNC-CABCVRRESA-N 322.324 2.193 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC(c2nc(C)no2)CC1 56131675 MOSKPFDIWQVSOD-UHFFFAOYSA-N 304.350 2.257 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cccnc2)cc1 97113231 WCIONGVDUVFGGH-CQSZACIVSA-N 304.415 2.342 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@H]1CCN(C2CC2)C1 57554014 ANCHADHPKUGSIH-LBPRGKRZSA-N 311.385 2.012 0 40 DEAB CNC(=O)CN(C(=O)/C=C/c1ccccc1)c1cccc(OC)c1 58050876 JQRTXZVDZQFGNQ-VAWYXSNFSA-N 324.380 2.488 0 40 DEAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc(NC2CC2)nc1 58293342 MOLYAPUVEPDLPT-UHFFFAOYSA-N 321.344 2.088 0 40 DEAB O=C(Nc1ccon1)C1CN(c2nc3c(F)cccc3s2)C1 62023148 WEJFDZYUAOZIDX-UHFFFAOYSA-N 318.333 2.498 0 40 DEAB CCOC(=O)Nc1cccc(C(=O)Nc2ccc[nH]c2=O)c1 58432600 HIKOXGVZGCSQOQ-UHFFFAOYSA-N 301.302 2.196 0 40 DEAB Cc1oc(CO)cc1C(=O)OCc1nnc(-c2ccccc2)o1 10725042 IETIJJJITPHJAI-UHFFFAOYSA-N 314.297 2.487 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)[C@H](C)CO1 45447072 VMTAJHSKZRKWEX-NXEZZACHSA-N 311.765 2.361 0 40 DEAB O=C(NC1CCN(C2CC2)CC1)c1cncc(Br)c1 36713660 WKBYFFFGRLLILO-UHFFFAOYSA-N 324.222 2.201 0 40 DEAB COC(=O)C[C@@H](NC(=O)CCn1cccn1)c1ccc(C)cc1 48735151 GKVAXLZYYXLXDT-OAHLLOKOSA-N 315.373 2.002 0 40 DEAB CCN(Cc1ccc(C(=O)NCCC(=O)OC)cc1)C(C)C 69530514 XOTVCTSUHBGQER-UHFFFAOYSA-N 306.406 2.210 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 13170219 JWNHADQNUJIVHW-SNVBAGLBSA-N 312.163 2.386 0 40 DEAB O=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccnc1 48957753 IGLNWDAWZKCBPV-MRXNPFEDSA-N 309.369 2.175 0 40 DEAB Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCN(C3CC3)C2)c1C 63114848 HISSJFDEVXMORD-HNNXBMFYSA-N 324.428 2.456 0 40 DEAB CCc1sc(C(=O)N2CCN(C)CC2)cc1Br 13329821 YGCMLUSWNSBKAN-UHFFFAOYSA-N 317.252 2.461 0 40 DEAB O=C1CC[C@@H](C(=O)NCC2(c3cccs3)CCCCC2)N1 49521075 BBZQDNBMLJUPGE-LBPRGKRZSA-N 306.431 2.345 0 40 DEAB CCn1c(SCC(=O)N2CCCC2=O)nc2ccccc21 4289490 XDVSOKSAOGQNLB-UHFFFAOYSA-N 303.387 2.297 0 40 DEAB C[C@@H](CCc1ccccc1)CC(=O)N1CCN(C[C@@H](C)O)CC1 69709301 MCEGAEJPFCSHRL-DLBZAZTESA-N 318.461 2.170 0 40 DEAB Cc1nc(CN2CCC[C@@H](NCCOc3ccccc3)C2)no1 69819942 AGAJLHBTHMNKKU-OAHLLOKOSA-N 316.405 2.011 0 40 DEAB CN(Cc1ccco1)C(=O)CCn1cnc2sccc2c1=O 14057688 BWVFXOHIKAUHRX-UHFFFAOYSA-N 317.370 2.100 0 40 DEAB OCc1nc2cc(Cc3ccc4nc(CO)[nH]c4c3)ccc2[nH]1 5323315 BRAVWGDNMCOQTD-UHFFFAOYSA-N 308.341 2.015 0 40 DEAB COc1cccc2c(C)c(C(=O)NCC(=O)NC(C)(C)C)oc12 65625746 VIDCVPCQWWHRKD-UHFFFAOYSA-N 318.373 2.394 0 40 DEAB O=C(NCCC1CCCCC1)C(=O)Nc1ccc2c(c1)OCO2 4741043 JTOVUSAMAMNLKB-UHFFFAOYSA-N 318.373 2.440 0 40 DEAB Cc1nn(C)c2sc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc12 14804961 WMIVRXOQJRDGLQ-VIFPVBQESA-N 323.418 2.403 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(C)c(N2CCCC2=O)c1 6938249 ZIEDGCSIBZQLLK-UHFFFAOYSA-N 310.419 2.152 0 40 DEAB CC1CCN(CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1 7074430 GSTUKPQSFRDFNM-QGZVFWFLSA-N 301.390 2.143 0 40 DEAB C[C@@H](Sc1nncn1-c1cccc(Cl)c1)C(=O)N(C)C 7319081 UUSHSTHEIAYTEJ-SECBINFHSA-N 310.810 2.490 0 40 DEAB Cc1ccc(-n2nnnc2NC[C@H](c2ccco2)N(C)C)cc1 68658610 DCSFFXQJAXSIAW-CQSZACIVSA-N 312.377 2.279 0 40 DEAB CCOc1ccc(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1OC 7975311 UPHLJQRDDMHEDO-HNNXBMFYSA-N 308.378 2.193 0 40 DEAB Cc1ccc2nc(NCCNc3ccccn3)n(C)c(=O)c2c1 69195220 CNKSMQPRPUWHCA-UHFFFAOYSA-N 309.373 2.161 0 40 DEAB COc1ccccc1[C@@H](C)NC(=O)c1n[nH]c(=O)c2ccccc12 8216760 IQFFXUCAIZOUNH-LLVKDONJSA-N 323.352 2.423 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)c1 70003765 YRUUCMVURFWBAO-CQSZACIVSA-N 309.373 2.373 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)c1cn(-c2ccc(F)cc2)nn1 69328348 BJNRAYKIAIJCPV-LLVKDONJSA-N 314.320 2.360 0 40 DEAB Cc1ccc2cc(C(=O)NCCc3nnc4ccccn34)[nH]c2c1 69366832 WBYWEADYIFEWSV-UHFFFAOYSA-N 319.368 2.492 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(C)c1 72333947 RCSSPNCYWWWXMQ-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB Cn1c(SCc2ccccc2)nnc1[C@@H]1CCS(=O)(=O)C1 9503773 FZIQRMLRMRQNEA-GFCCVEGCSA-N 323.443 2.010 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc(Cl)cn2C)c1 71869712 NAWLVXBXKNCODE-ZDUSSCGKSA-N 306.797 2.488 0 40 DEAB O=C(Nc1ccnc2ccnn12)[C@H]1CCCN1Cc1ccccc1 71888855 ICMFGRSPONXHGK-OAHLLOKOSA-N 321.384 2.332 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)[C@H](O)c1cc(Cl)cc(Cl)c1 110699372 UHPCLJCMQNOSNQ-YVECIDJPSA-N 316.184 2.463 0 40 DEAB C[C@H](NC(=O)COC[C@H]1CCCO1)c1nc2c(s1)CCCC2 71904540 SMTRYHISJQEMML-NWDGAFQWSA-N 324.446 2.395 0 40 DEAB COCCOCCCC(=O)OC[C@@H]1Cc2cc(F)ccc2O1 83911724 HHGOZNNUFBCHSK-AWEZNQCLSA-N 312.337 2.116 0 40 DEAB CC(C)CCNC(=O)COc1cccc(N2CCCC2=O)c1 96997205 DMFWSSWPWMQESV-UHFFFAOYSA-N 304.390 2.355 0 40 DEAB O=C1C[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(CO)cc1 97080280 HPORYZNKHSWYHJ-HXUWFJFHSA-N 321.376 2.322 0 40 DEAB O=C(CN1CCC[C@H]1C(=O)O)Nc1ccccc1C(F)(F)F 95428054 VZQILYRBNGYIOE-NSHDSACASA-N 316.279 2.193 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)CNc2cccc(C)c2Cl)C1 95418014 IULBQRBFBVMHLK-CYBMUJFWSA-N 323.824 2.187 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)Cc2cnn(C)c2)C12CCCCC2 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CCN(C[C@H]1CCN(CC(=O)O)C1)C(=O)OCc1ccccc1 79413776 ZUNMDYOREUSKOO-HNNXBMFYSA-N 320.389 2.052 0 40 DEAB COCCNC(=O)Cc1ccc(NC(=O)c2ccsc2)cc1 32001431 WYXHVUAYFOMVJI-UHFFFAOYSA-N 318.398 2.306 0 40 DEAB C[C@H](CN(C)C(=O)c1csc2ccccc12)c1nnn[nH]1 183426604 BMLTXTQQVAYXEB-SECBINFHSA-N 301.375 2.290 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44841707 YWVROVQPRLMAEP-MRVPVSSYSA-N 304.799 2.240 0 40 DEAB COc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)cc1C 41097050 QMKOMOIKMMUSIN-BETUJISGSA-N 313.419 2.110 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2csnc2C)CC1 40757206 ZFJSBPVMDCYVHW-UHFFFAOYSA-N 317.414 2.423 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 225215336 GAUPNHISTFGBFM-SECBINFHSA-N 318.826 2.486 0 40 DEAB COCCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C 43728680 AZNQIXXOKQMABA-UHFFFAOYSA-N 324.384 2.320 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCCc1ccco1)O2 40779286 RELFOXGWTIAHPP-KRWDZBQOSA-N 314.341 2.037 0 40 DEAB Cc1nc2ccccn2c1-c1nnc(N2CC[C@](C)(F)C2)n1C 576942927 RFKJOYRLLBFUPL-INIZCTEOSA-N 314.368 2.377 0 40 DEAB Cc1nnc(NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)s1 230104077 KDENVPMVJPQXBT-QWHCGFSZSA-N 302.403 2.130 0 40 DEAB Cc1cc(F)ccc1NC(=O)C(=O)NC[C@](C)(O)CCC(C)C 96420307 NBEVPMCFNIGEKI-QGZVFWFLSA-N 324.396 2.376 0 40 DEAB CN(Cc1nc(-c2cccnc2)no1)c1ncc(Cl)cn1 96462062 KNMWUKXCUZOOMM-UHFFFAOYSA-N 302.725 2.211 0 40 DEAB Cc1cccc(NC[C@H]2CCN(c3ncnc4c3cnn4C)C2)n1 97201004 IQRMPWPAGCFSLV-CYBMUJFWSA-N 323.404 2.005 0 40 DEAB O=C(NCc1ccccn1)c1ccn(-c2ccc3ccccn23)n1 96266973 CNKVZXFNJDAPOH-UHFFFAOYSA-N 317.352 2.450 0 40 DEAB Cc1cc(S(=O)(=O)N(C[C@H](C)O)c2ccccc2)c(C)o1 96493884 UARPPGRWDZZENB-NSHDSACASA-N 309.387 2.473 0 40 DEAB O=S(=O)(c1cccc(F)c1)N1CC[C@H]2[C@H]1CCN2CC1CC1 96184422 CPDHBGOWOVJXSR-JKSUJKDBSA-N 324.421 2.073 0 40 DEAB CCOCCCC(=O)N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O 96425960 OBCARHOSTCFQEY-UKRRQHHQSA-N 304.390 2.113 0 40 DEAB C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NCCn1ccnc1 97233638 GELCXZNEOZPOBM-ZIAGYGMSSA-N 308.426 2.118 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(C(=O)N(C)C)C3)CC2=O)s1 96050892 BFQZLCVKZODEFD-HNNXBMFYSA-N 307.419 2.167 0 40 DEAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NCC3CC3)C2)c1 96253027 FVSPYIBRUNTYJF-FGTMMUONSA-N 314.429 2.111 0 40 DEAB C[C@@H]1CC[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C[C@H]1C 249064860 IIOJJNSUBMWQAM-IIAWOOMASA-N 321.465 2.465 0 40 DEAB COc1ccccc1CN1CC2(CC[C@@H](CN(C)C)CO2)C1 248123786 NWUHEFCDSMVOJT-HNNXBMFYSA-N 304.434 2.238 0 40 DEAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@@H]2CC=CC[C@H]2C1 247873682 MWFYCRCGMNOHHB-KKUMJFAQSA-N 320.458 2.113 0 40 DEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NCc1cccnc1 253405524 SOCSCPNIADRWLT-NSHDSACASA-N 324.340 2.115 0 40 DEAB biogenic,in-vitro CC(=O)N1CCC[C@H](Cc2nccnc2-c2c(C)n[nH]c2C)C1 257216286 CTWFFRBDGZXWGZ-CQSZACIVSA-N 313.405 2.285 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)c2cc(C)nc3ccnn23)C1 257301105 RXAFJWOIPJPKSZ-CYBMUJFWSA-N 302.378 2.069 0 40 DEAB Nc1nccnc1C[C@@H]1CCCN(C(=O)CC2CCCC2)C1 257297577 RHXOIBPNKBYIMV-AWEZNQCLSA-N 302.422 2.420 0 40 DEAB C[C@@]1(C(=O)Nc2nnc(CCc3ccco3)[nH]2)C[C@H]2CC[C@H]1O2 252584455 AOCQNEXGGFZACZ-XHBSWPGZSA-N 316.361 2.079 0 40 DEAB Cc1nc(N)cc([C@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 257272376 NCEJHKARYYHIEM-CQSZACIVSA-N 324.450 2.167 0 40 DEAB O=C(/C=C/c1ccco1)NCCn1ccc(-c2ccccn2)n1 96098852 QSXKMJWJEPVJLI-VOTSOKGWSA-N 308.341 2.368 0 40 DEAB Nc1n[nH]c2c(Br)cn(CC3CCCC3)c(=O)c12 575424327 ZBMFHUNZTLDNMV-UHFFFAOYSA-N 311.183 2.260 0 40 DEAB CCO[C@H]1CSC2(C1)CN(C(=O)[C@@H]1Cc3ccccc3O1)C2 575402584 CNZLQYAKUCVMCF-HIFRSBDPSA-N 319.426 2.113 0 40 DEAB COCC[C@@H]1CN(C(=O)c2cscn2)Cc2cccn2C1 585094644 DLAUXXKATFMZOZ-LBPRGKRZSA-N 305.403 2.253 0 40 DEAB Cn1cc([C@H]2OCC[C@H]2CNCc2cccc3c2OCO3)cn1 84317545 CSRLJXNMDCXPKB-BBRMVZONSA-N 315.373 2.016 0 40 DEAB O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N(CCO)C1CC1 88620005 UROADLMYHSOCIQ-KBXCAEBGSA-N 300.402 2.057 0 40 DEAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)NCC1(O)CCC1 95399566 WNBCJOSCAXLPAV-INIZCTEOSA-N 317.433 2.038 0 40 DEAB Cc1nn(C)c(C)c1CCCNC(=O)Cc1ccccc1O 97033716 PCOLYRSAZQSBKU-UHFFFAOYSA-N 301.390 2.034 0 40 DEAB O=C(c1ccncn1)N1CCC(c2ccc3cccnc3n2)CC1 655270024 UXZUCKOHFGIIDC-UHFFFAOYSA-N 319.368 2.440 0 40 DEAB CCc1ncoc1C(=O)N(C)c1ncc(Br)cn1 1548453226 NTOMIEFQCYXULR-UHFFFAOYSA-N 311.139 2.066 0 40 DEAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)Cc1ccccn1 12145026 CMTJNHLKXNHQGX-MRXNPFEDSA-N 323.400 2.210 0 40 DEAB CCOC(CN[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)OCC 15042303 SCDKOZPBKDRGCK-CYBMUJFWSA-N 316.442 2.375 0 40 DEAB CSCC[C@@H](N)C(=O)N1CCC(OC2CCCC2)CC1 157314188 DVEBZIXFXKOVDK-CQSZACIVSA-N 300.468 2.017 0 40 DEAB O=C([C@H]1CCOC1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238824273 DJAUXVYDACYQHL-KGLIPLIRSA-N 313.357 2.089 0 40 DEAB O=S(=O)(C1CC1)N1CCC[C@H](Oc2ccncc2Cl)C1 575604627 AYMQLAUNUKXVLJ-JTQLQIEISA-N 316.810 2.070 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@](C)(CC(C)C)C2=O)cc1 2619883 AERWDXWNBDCEHT-KRWDZBQOSA-N 317.389 2.290 0 40 DEAB O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N1CCCCCC1 9314305 IBRCNSMZPYIWHR-UHFFFAOYSA-N 321.421 2.034 0 40 DEAB CN(C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 4287134 AKOYQBAUKPHEAG-UHFFFAOYSA-N 310.810 2.316 0 40 DEAB Cc1c(Br)cccc1C(=O)N1CC(n2nccn2)C1 1849490896 UCYXEVCPFZXKBE-UHFFFAOYSA-N 321.178 2.046 0 40 DEAB O=C([C@H]1CC=CCC1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25817661 XIWKJAMQUGNCJJ-UONOGXRCSA-N 323.414 2.152 0 40 DEAB CC(=O)CC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(F)(F)C1 952977422 ARFFMJIIOAYJGV-JTQLQIEISA-N 305.321 2.427 0 40 DEAB CO[C@@](C)(CNc1ncnc2c1ncn2C)c1ccccc1F 1775972537 KAVJLONHTRDRRM-INIZCTEOSA-N 315.352 2.476 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)c1nc(-c2cnccn2)no1 44121824 OUBRKWKIIWWJCS-SNVBAGLBSA-N 307.313 2.118 0 40 DEAB Cc1cc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)nc(C)n1 585147374 KNQNLZIPOVDMFD-AWEZNQCLSA-N 317.414 2.377 0 40 DEAB CC(C)(C)c1nccc(N2CC(c3nnc4ccccn34)C2)n1 2298208941 FWWRUDLZBPLCAB-UHFFFAOYSA-N 308.389 2.421 0 40 DEAB Cc1cc(Br)cc(C)c1NC(=O)[C@@H]1CCC(=O)N1 20110801 XWXARMCUITYPRV-JTQLQIEISA-N 311.179 2.283 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@@H]1CCCO1)c1ccccc1Cl 31375943 CIDXXLWVCKYCDP-STQMWFEESA-N 311.765 2.239 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 156553 JVODHJDPZFQYJB-ZDUSSCGKSA-N 316.332 2.084 0 40 DEAB CCCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 20534804 AVUZQXXFUFVEEH-AWEZNQCLSA-N 305.378 2.127 0 40 DEAB O=C(CNC(=O)C1CCCC1)NC1(c2ccccc2)CCC1 51418606 XVAKXYIOQZTESU-UHFFFAOYSA-N 300.402 2.488 0 40 DEAB O=C(CCCc1nc(-c2cccs2)no1)NC[C@H]1CCCO1 32478301 UIZIBGAQTVWJGH-LLVKDONJSA-N 321.402 2.416 0 40 DEAB Cc1cc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)ccc1F 41194992 JCZIFCHVUQCSDD-GJZGRUSLSA-N 313.394 2.466 0 40 DEAB CN(C)c1ccccc1CN1CCCN(C2CCOCC2)CC1 75752472 RWCHGSHQEBFRFZ-UHFFFAOYSA-N 317.477 2.439 0 40 DEAB CCCc1nc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)sc1CC 76082090 QQXHTKLFPZWVJD-SNVBAGLBSA-N 324.450 2.400 0 40 DEAB O=c1c2cc3c(cc2[nH]c(=S)n1Cc1ccco1)OCO3 425075 XHOYFNUWCBMLAH-UHFFFAOYSA-N 302.311 2.429 0 40 DEAB O=C(NCCOc1cccc(Cl)c1Cl)[C@@H]1CCCN1 41516858 AHUSDAGSOOEOOL-JTQLQIEISA-N 303.189 2.240 0 40 DEAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccoc3)C2)O1 107739540 YXKRTJQHLWGKCE-ROUUACIJSA-N 322.449 2.370 0 40 DEAB O=C(Cc1cc(O)nc(SCc2ccccc2)n1)NC1CC1 23137964 GUNMIFSNHNXCFM-UHFFFAOYSA-N 315.398 2.296 0 40 DEAB C[C@H]1CN(CCCNC(=O)c2cc3c(s2)CCC3)C[C@H](C)O1 47681698 YSHPNXRYLOIHAS-STQMWFEESA-N 322.474 2.466 0 40 DEAB Cc1csc2nc(COC(=O)c3cc(Cl)c[nH]3)cc(=O)n12 25197964 UNVJXLOYUDXJNY-UHFFFAOYSA-N 323.761 2.403 0 40 DEAB COCCNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1 48097065 KNTJEXKSTJRMRI-UHFFFAOYSA-N 305.378 2.081 0 40 DEAB CC[C@@](C)(NC(=O)COCc1ccccc1Cl)C(=O)OC 58192592 VITBLQLMJOSFNX-OAHLLOKOSA-N 313.781 2.315 0 40 DEAB COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)C3CC3)CC1)O2 170495417 JVMWBURUJYLYDY-UHFFFAOYSA-N 315.369 2.432 0 40 DEAB C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 44910458 XMAZCWQNSWDCFV-SCRDCRAPSA-N 320.389 2.386 0 40 DEAB COc1cccc(OCCNC(=O)c2c(C)nn(C)c2Cl)c1 44909679 WARKPGBFHPUQRX-UHFFFAOYSA-N 323.780 2.199 0 40 DEAB Cc1ccc(-n2ncc3c(NCCCN(C)C)ncnc32)cc1 20662026 DLQXNEFMZCKKOT-UHFFFAOYSA-N 310.405 2.488 0 40 DEAB COc1c(CN[C@@H](C)c2ccc3c(c2)OCO3)c(C)nn1C 58428908 IKKHYAALZSLHMK-JTQLQIEISA-N 303.362 2.317 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)Nc1ccccc1O 36360160 FTNLSHIJFYLFER-ZDUSSCGKSA-N 312.369 2.468 0 40 DEAB CNS(=O)(=O)c1ccc(CNc2nc3ccccc3o2)s1 12797586 XTYZRDXITUCGNO-UHFFFAOYSA-N 323.399 2.410 0 40 DEAB CCc1noc(CNc2ccccc2N2CCC(O)CC2)n1 59806761 ZOYNAENJKBNCRV-UHFFFAOYSA-N 302.378 2.205 0 40 DEAB Cc1ccn2c(=O)cc(COc3ccc(CC(=O)O)cc3)nc2c1 48300146 DRKLHECANZHYMN-UHFFFAOYSA-N 324.336 2.209 0 40 DEAB Cc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cn1 12850241 BGYSUJBKUWPPJM-UHFFFAOYSA-N 308.334 2.185 0 40 DEAB CCc1ccc(NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)cc1F 97161761 JNEXRDLQUKGION-RISCZKNCSA-N 310.369 2.392 0 40 DEAB O=C(Cc1noc2ccccc12)Nc1ccc2[nH]c(=O)[nH]c2c1 12984662 BJXJLSKVSRIFQF-UHFFFAOYSA-N 308.297 2.179 0 40 DEAB O=C(CCNC(=O)c1ccccc1)Nc1ccc2c(c1)OCO2 3607223 OMBXHOCHYDSGIT-UHFFFAOYSA-N 312.325 2.174 0 40 DEAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)Cc2cccc(F)c2)C1 69511987 GYONXSLFYHDXAM-HNNXBMFYSA-N 320.408 2.379 0 40 DEAB O=C1CCCN1C(=O)CSc1nccn1Cc1ccccc1 8778804 OQKTVAPAWFGFST-UHFFFAOYSA-N 315.398 2.173 0 40 DEAB CCc1c(C(=O)N2CCC[C@@H](N(C)C)C2)cnn1C(C)(C)C 65494606 DWDRPTWUHLFGOX-CYBMUJFWSA-N 306.454 2.367 0 40 DEAB O=C(NCC1CCC1)NC1CCN(CCc2ccncc2)CC1 69702598 HBMQTQVITWZCRU-UHFFFAOYSA-N 316.449 2.188 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccc(C(C)=O)cc1 8602260 RQRDUJVXXNPBDQ-CYBMUJFWSA-N 324.402 2.305 0 40 DEAB COC(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c1 69897479 RUXRJHWNYUMOKE-MRXNPFEDSA-N 316.401 2.174 0 40 DEAB Cc1cccc(NC(=S)NCC(=O)NCc2ccco2)c1C 7463045 VPAQEALRUXJSAQ-UHFFFAOYSA-N 317.414 2.499 0 40 DEAB O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccccc1Cl 408661580 XJSWXBVILJZLBI-RBJBARPLSA-N 318.760 2.016 0 40 DEAB Cc1nc2ccc(NC(=O)CN3CSCC3=O)cc2s1 7670297 HRIDOSVFVXRGGL-UHFFFAOYSA-N 307.400 2.076 0 40 DEAB O=C(O)c1csc(CNC(=O)c2cccc3cc[nH]c23)n1 90932313 FGPSOMNQWPCHHB-UHFFFAOYSA-N 301.327 2.253 0 40 DEAB C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccccc1Cl 72300575 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CC(C)N(C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)C1CC1 74233976 FKTARZBQFNJMTR-UHFFFAOYSA-N 314.385 2.349 0 40 DEAB O=C(NCc1ccccc1OCCO)N1C[C@H]2CC=CC[C@H]2C1 74434916 PPQNZJYGOVNEJZ-IYBDPMFKSA-N 316.401 2.165 0 40 DEAB CN(C)c1ncc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)cn1 89326968 LMINEVMSHCIZHT-CQSZACIVSA-N 315.352 2.491 0 40 DEAB Cc1nc(C(=O)N2CCC[C@@H]2Cn2cnc3ccccc32)c[nH]1 89497074 AHQAYNPKMRCKQW-CYBMUJFWSA-N 309.373 2.373 0 40 DEAB Cc1nnc2sc(C(=O)NCc3ccc(F)cc3)c(C)n12 75218776 IVHYVQDQQAGSMD-UHFFFAOYSA-N 304.350 2.477 0 40 DEAB Cc1noc(CCCNC(=O)c2c[nH]c3nccc(Cl)c23)n1 89721112 DCPXZWBQZYVRRO-UHFFFAOYSA-N 319.752 2.270 0 40 DEAB O=C(NC[C@@H]1C[C@]12CCc1ccccc12)c1ccc2nncn2c1 89858032 KDQIYDWTAIBNFS-HNAYVOBHSA-N 318.380 2.363 0 40 DEAB CCOc1nnc(CN2CCc3cnc(C(C)C)nc3C2)s1 75605995 JDCIWCHAGFNRTN-UHFFFAOYSA-N 319.434 2.409 0 40 DEAB CCOc1cc(C(=O)NOC)ccc1OCc1cccnc1 36741731 IHEQVWSFMPLDNY-UHFFFAOYSA-N 302.330 2.351 0 40 DEAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccoc3)n2)cn1 78774717 YTCSZNBMMFIEGP-VIFPVBQESA-N 314.301 2.224 0 40 DEAB O=C(O)CCCS(=O)(=O)N1CCC[C@@H]1/C=C/c1ccccc1 521997631 RDRSYFMRXBIFCQ-AUECHBEKSA-N 323.414 2.359 0 40 DEAB Cc1cc(C(F)(F)F)nc([C@@]2(C)CCCN2S(C)(=O)=O)n1 72388376 XPPJPIHSPLUVPB-LLVKDONJSA-N 323.340 2.074 0 40 DEAB CC[C@H](Sc1nnc(NC(=O)C2CCC2)s1)C(=O)OC 70635038 PKWJTBKUYSORMY-QMMMGPOBSA-N 315.420 2.320 0 40 DEAB CCCNS(=O)(=O)c1ccc(NC(C)(C)C)c(C(=O)O)c1 217541938 JYNRAHZMQRATBO-UHFFFAOYSA-N 314.407 2.284 0 40 DEAB CC[C@@H]1CN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CCO1 30333630 ADEHNVPBLQTLEK-SNVBAGLBSA-N 319.810 2.148 0 40 DEAB COc1ccc([C@@H]2C[C@H](C)N(CCN3CCOC3=O)C2)cc1 76394092 BMUVZYNYYFUUJU-DZGCQCFKSA-N 304.390 2.325 0 40 DEAB O=C1Nc2ccc(OS(=O)(=O)O)cc2Oc2ccccc21 77313127 VAJPEDBLFSUKLQ-UHFFFAOYSA-N 307.283 2.226 0 40 DEAB in-vitro COCCOc1ccc(NC(=O)C2(OC)CCCCC2)cn1 184925273 KQMGWLFXLQIMKZ-UHFFFAOYSA-N 308.378 2.395 0 40 DEAB Cc1c(Cl)ccc2c(N3CCNCC3)c(C(=O)O)cnc12 40165618 IOCZEQXBZXUIFK-UHFFFAOYSA-N 305.765 2.304 0 40 DEAB O=C(NCCn1cccc1)c1ccnc(O[C@H]2CCSC2)c1 225723846 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Cc1ccc2c(n1)N(C)CCN(C(=O)Cc1cccs1)C2 96089332 YCDNXFBDSCEPDN-UHFFFAOYSA-N 301.415 2.473 0 40 DEAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cnc2ccccc2c1 96041929 CDIBHQUUOVPLMC-YESZJQIVSA-N 312.369 2.253 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)CO)ccc1OCC(F)(F)F 91179095 ZSVUSLVXLNVCSH-VIFPVBQESA-N 306.284 2.438 0 40 DEAB Cc1ccnc2c1NC(=O)CN2C(=O)CCc1cccs1 96494194 NXWYAVLIKDWKSR-UHFFFAOYSA-N 301.371 2.369 0 40 DEAB C[C@@H]1N(C)C(=O)COC12CCN(Cc1cccc(F)c1)CC2 96201525 VNGCJWYNZNFQFC-ZDUSSCGKSA-N 306.381 2.037 0 40 DEAB c1coc(CN2CC3(C[C@@H](OCC4CCOCC4)CCO3)C2)c1 247944740 JMIBZYOKFIAGFY-INIZCTEOSA-N 321.417 2.456 0 40 DEAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1cc3ccccc3o1)C2 247964810 RYXQUTFJTYXQKD-CYBMUJFWSA-N 301.342 2.453 0 40 DEAB Cc1cc([C@@H]2CN(Cc3scnc3C)CCO2)nc(C)n1 257288690 PVEVRUDUANHZEW-AWEZNQCLSA-N 304.419 2.432 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@H](c2nc(C)cn2C)C1 257216282 CTVVFQFKDWZMJO-NSHDSACASA-N 319.434 2.162 0 40 DEAB Cc1ncsc1CN1CC2(CO[C@@H](Cc3cncnc3)C2)C1 257293500 QPTDAUZKVSFOSI-AWEZNQCLSA-N 316.430 2.075 0 40 DEAB CN(C)c1nccnc1C1CCN([C@H]2CCCC[C@@H]2O)CC1 299850714 IWDUYFIIBXTTFG-GJZGRUSLSA-N 304.438 2.026 0 40 DEAB CCCc1nnsc1C(=O)N1CC[C@@H](c2nc(C)c[nH]2)C1 257209452 BQKQYSHHJJXNKW-SNVBAGLBSA-N 305.407 2.152 0 40 DEAB Cn1nc(C(=O)NCc2nc3ccccc3[nH]2)c2ccccc21 96117453 AALUIMJZRQMAQF-UHFFFAOYSA-N 305.341 2.380 0 40 DEAB CCc1ccccc1S(=O)(=O)NCc1cn(C2CCC2)nn1 585142375 UXXRFUUOBNRLGW-UHFFFAOYSA-N 320.418 2.044 0 40 DEAB COc1ncnc2c1CCN(C(=O)[C@]1(C)CC=CCC1)CC2 585110498 MAOBAHIERKHTLQ-QGZVFWFLSA-N 301.390 2.159 0 40 DEAB CO[C@]1(COc2ccccc2)CCN(C(=O)c2cccn2C)C1 585279222 XPLZTSFNOYRIPM-GOSISDBHSA-N 314.385 2.335 0 40 DEAB CNC(=O)[C@H](Nc1nccc(C(F)(F)F)n1)c1ccccc1 54389304 JJQGQPBXAILTHC-LLVKDONJSA-N 310.279 2.395 0 40 DEAB CC(C)Oc1ncccc1CNS(=O)(=O)Cc1ccccc1 56068822 UVIKRCYDMAOBOC-UHFFFAOYSA-N 320.414 2.488 0 40 DEAB O=C(CN1CSCC1=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 57462496 WRKOZSOTGUJSNR-OAHLLOKOSA-N 324.833 2.440 0 40 DEAB COc1cccc(-c2nnn(CCCOCC(F)(F)F)n2)c1 71916319 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COCCN1C[C@H](C(=O)N[C@@H](c2cccs2)C(C)C)CC1=O 45310642 RVUUOHDWYKOQHQ-IUODEOHRSA-N 324.446 2.056 0 40 DEAB C[C@@H]1CN(CCC(=O)Nc2ccnn2C2CCCC2)CCO1 28894134 CPZNPZSOLRPHAE-CYBMUJFWSA-N 306.410 2.048 0 40 DEAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccncc1 8705930 VKCUBUBVCWJSNB-LBPRGKRZSA-N 312.325 2.468 0 40 DEAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1CCOC1 48333452 RQXLQQSDVKKOQF-LLVKDONJSA-N 303.387 2.280 0 40 DEAB CCOc1ncccc1C(=O)NCCc1ccccc1OC 12845784 MMQQTAMWCRDIGF-UHFFFAOYSA-N 300.358 2.461 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)CNC(=O)c1cccs1 12856690 NNJPGAOKBRPEGE-NSHDSACASA-N 318.398 2.364 0 40 DEAB Cc1ccc(/C=C/S(=O)(=O)N2CCC(C(=O)O)CC2)cc1 3440448 HCMXATFRTFVUEC-DHZHZOJOSA-N 309.387 2.092 0 40 DEAB aggregator COc1c(Cl)cc(Cl)cc1CNCc1nncn1C 49394872 ZEVHXPZJEHRNBV-UHFFFAOYSA-N 301.177 2.420 0 40 DEAB Cc1csc(N2CCN(CCOCC(F)(F)F)CC2)n1 64626844 NECHOQYDVHYGKG-UHFFFAOYSA-N 309.357 2.152 0 40 DEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1 14075926 OHGOCGOVRCOEBW-SNVBAGLBSA-N 304.302 2.176 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)[C@@H](C)OC[C@@H]1CCCO1 65564589 ZBXZNXLDVUDSLM-HIFRSBDPSA-N 322.405 2.069 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@H]2CCCC[C@H]21 71821219 YEMDEKUBADUQMP-CABCVRRESA-N 312.373 2.051 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)NCCc1ccc(F)cc1 5465775 UFOIYHTZHHLYFM-UHFFFAOYSA-N 315.344 2.498 0 40 DEAB O=C1OCCN1CCSc1nnc(Cc2cccc(F)c2)o1 67753853 QYCNLRKRKQZFLN-UHFFFAOYSA-N 323.349 2.344 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2cccc(C)c2N)c1 7305271 AHFBQRSLBFXLAT-UHFFFAOYSA-N 314.341 2.381 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCOC2)cc1OC 71834654 LYOQHKXQPVSHFH-KBPBESRZSA-N 305.374 2.404 0 40 DEAB O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@@H]2CCCC[C@@H]21 71834682 DIBWGRYEPZPOTH-JKSUJKDBSA-N 312.369 2.312 0 40 DEAB Cn1cc([C@H]2CCCN2C[C@H](O)COCc2cccs2)cn1 69625532 HKTJJFWMHJXTSK-GOEBONIOSA-N 321.446 2.196 0 40 DEAB CN1C[C@@H](NC(=O)Nc2ccc(Cl)cc2Cl)CC1=O 69627020 YCLODBLNXUXLLB-QMMMGPOBSA-N 302.161 2.346 0 40 DEAB CCc1nnc2n1C[C@@H](CNCc1nc3ccccc3o1)CC2 69665017 ZFPFBIRDFLXTSJ-GFCCVEGCSA-N 311.389 2.334 0 40 DEAB O=c1[nH]c(CSc2nnc3ccccn23)nc2ccccc12 8685503 ZDQZQZCVFKMRPY-UHFFFAOYSA-N 309.354 2.258 0 40 DEAB Cc1ccc(CNC(=O)CN2CCC[C@@H]2c2cnn(C)c2)s1 71797191 IDEKUHVSJOXIRE-OAHLLOKOSA-N 318.446 2.243 0 40 DEAB O=C1[C@@H](n2cnc(-c3ccccc3)n2)CCN1CC(F)(F)F 96410901 VPBZUTXZAPQRHI-NSHDSACASA-N 310.279 2.281 0 40 DEAB OC1(CN(Cc2cccnc2)CC2(O)CCCC2)CCCC1 97229486 VHGUJWUQGYFIFY-UHFFFAOYSA-N 304.434 2.494 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)n[nH]1 84110752 PWYOCVNRQFVJKS-CYBMUJFWSA-N 324.388 2.020 0 40 DEAB CCc1cccc(CC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c1 97020825 RRSFWJKZIUHRHS-HZPDHXFCSA-N 302.418 2.342 0 40 DEAB CCc1nc(CN2CCC[C@@H]2c2c(C)nn(C)c2OC)no1 72267591 OHJLGCCYJDXCKY-LLVKDONJSA-N 305.382 2.020 0 40 DEAB O=C(C[C@H]1OCCc2ccsc21)N[C@@H]1CCc2nccn2C1 72254864 CXBZSYVGFUMFAT-CHWSQXEVSA-N 317.414 2.080 0 40 DEAB CN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1F 97604658 IKYRZMKFJOGDBF-UHFFFAOYSA-N 322.361 2.085 0 40 DEAB CN(CCNC(=O)N1CCSC(C)(C)C1)CC(F)(F)F 95409343 LNLSIFQRRKDQIH-UHFFFAOYSA-N 313.389 2.018 0 40 DEAB CN1CCN(c2ncc(CNC3(c4ccccc4)CC3)cn2)CC1 95416658 WJPAVEXUPPXLHJ-UHFFFAOYSA-N 323.444 2.007 0 40 DEAB O=Cc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 113830568 WBQPWGPUHSZAHU-DHDCSXOGSA-N 306.346 2.269 0 40 DEAB Cc1ccc(Cl)c2ccc(N3CCN4C(=O)NC[C@@H]4C3)nc12 95994758 NERBHRBLLPCMRX-LLVKDONJSA-N 316.792 2.410 0 40 DEAB C[C@@H](C(=O)NCc1ccnn1C)n1ccnc1-c1ccccc1 89518667 DMTHWGZRMHFCHC-ZDUSSCGKSA-N 309.373 2.161 0 40 DEAB CCn1c(CN(C)C(=O)c2ccc(C)[nH]c2=O)nc2ccccc21 75125191 BSHVZXHZDAHDAC-UHFFFAOYSA-N 324.384 2.325 0 40 DEAB Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)c(=O)[nH]1 75122814 XVXMXAJDEUIXHG-UHFFFAOYSA-N 312.369 2.367 0 40 DEAB CCC(=O)N1CC[C@H](NC(=O)N[C@@H](C)c2ccc(C)s2)C1 89941567 UGOQWGGAGHDJJB-RYUDHWBXSA-N 309.435 2.428 0 40 DEAB CC1(C)CN(C(=O)c2nc(O)c3ccccc3n2)CCS1 89919597 OCOGICMTSICMOI-UHFFFAOYSA-N 303.387 2.303 0 40 DEAB CCN(C(=O)c1cccc(Cl)n1)[C@H](C)CS(=O)(=O)CC 75611197 YNNXORXBXLHHAN-SNVBAGLBSA-N 318.826 2.020 0 40 DEAB O=C(CN1C=CC(=C2N=c3ccccc3=N2)C=C1)c1ccccc1 409415777 JVCVEIGCNOCUKJ-UHFFFAOYSA-N 313.360 2.377 0 40 DEAB COc1ccc(-c2cc(N)n(-c3nc(C(=O)O)cs3)n2)cc1 33413642 NOTRHUIQCPNHDG-UHFFFAOYSA-N 316.342 2.285 0 40 DEAB O=C(NC[C@H](O)C1CCOCC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 77049857 WFJWLLJFWMFTBG-XHSDSOJGSA-N 323.820 2.347 0 40 DEAB Cc1ccc(-n2nnnc2S[C@@H]2CCCCNC2=O)cc1C 10319541 IVQCROXULCMTBW-CYBMUJFWSA-N 317.418 2.040 0 40 DEAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(C(F)(F)F)cc1 72324807 MHFAOXYDHIKCLD-KCPJHIHWSA-N 314.351 2.345 0 40 DEAB CCC(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 76921415 MFEHEPNZMCDQCX-UHFFFAOYSA-N 302.371 2.251 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)no1 44633754 NRDNKLJBOLRCJB-AWEZNQCLSA-N 311.345 2.091 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cnn(C)c2)s1 96184158 QFDDOQBKLRTRGF-LSDHHAIUSA-N 316.430 2.170 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4ccncc4)C[C@@H]3C2)o1 96245563 HMANMJYMTFODIK-HOTGVXAUSA-N 311.385 2.187 0 40 DEAB CCN1CCc2ccc(NC(=O)C(=O)c3cnn(CC)c3)cc21 95442812 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57006287 UNNCVYVTHSDMHA-OAHLLOKOSA-N 313.419 2.074 0 40 DEAB COC[C@@]1(C)NC(=O)N(Cc2csc(C3CCCC3)n2)C1=O 66082702 GOEQUPUBJPTUPZ-OAHLLOKOSA-N 323.418 2.258 0 40 DEAB C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)N[C@H](C)CO 96500381 VMVZNOZSTQIWLZ-VHSXEESVSA-N 304.312 2.316 0 40 DEAB C[C@@H](CCO)NCc1cc(Br)cc2c1OCC2 96009287 PFZOWUUUGOGKOP-VIFPVBQESA-N 300.196 2.245 0 40 DEAB CNS(=O)(=O)Cc1ccccc1CNCc1sccc1C 40088620 SFHZGSLIURBASS-UHFFFAOYSA-N 324.471 2.396 0 40 DEAB CCn1c(=O)n(CC(=O)N(C)C2CCCCC2)c2cccnc21 12222279 OFAVMMBTJTWXNS-UHFFFAOYSA-N 316.405 2.009 0 40 DEAB Cn1ncc2c1CCc1sc(NC(=O)c3ccncc3)nc1-2 12326966 QOQDOOGHWHVCLJ-UHFFFAOYSA-N 311.370 2.290 0 40 DEAB Cc1nnc(NC(=O)c2cnc3c(cnn3C(C)C)c2)s1 12786454 IZMMEPNMGVCKHD-UHFFFAOYSA-N 302.363 2.424 0 40 DEAB COc1cc(OC)c(OC)cc1CN1C[C@H]2CCCN2C[C@@H]1C 19575714 VCQHZJOZCOBRGY-DZGCQCFKSA-N 320.433 2.381 0 40 DEAB O=C(CN1CCOC1=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 206875377 FQNZPWHTRXRNQL-CQSZACIVSA-N 320.364 2.374 0 40 DEAB O=C(N[C@@H]1CCCc2ccccc21)c1cc2c(nn1)CCOC2 1889108789 MRXGBGOZCRTHAJ-MRXNPFEDSA-N 309.369 2.357 0 40 DEAB NC(=O)Cc1csc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n1 21496363 ZDIUTLWBZRKMIX-NEPJUHHUSA-N 319.361 2.052 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1 32400752 ILEVTDPZKVRDBH-NXEZZACHSA-N 303.811 2.446 0 40 DEAB CCOc1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 12234491 HRMDGNCHWFUIKL-UHFFFAOYSA-N 300.274 2.376 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1F 30338921 PZVVOAMZKUGTNH-SNVBAGLBSA-N 313.350 2.337 0 40 DEAB CN1N=C(C(=O)Nc2nc(-c3cccs3)cs2)CCC1=O 40474067 FEFAGUBEWKQWPU-UHFFFAOYSA-N 320.399 2.418 0 40 DEAB C[C@@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)CCO1 40489788 NHCOHUPDANMGDR-LLVKDONJSA-N 307.325 2.008 0 40 DEAB Cc1ncsc1C(=O)NC1CCN(CCOC(C)C)CC1 51099944 RMWKDIUJIKPYFD-UHFFFAOYSA-N 311.451 2.071 0 40 DEAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(F)c(F)c1F 101723002 MPQGXTCZMUEHLO-ZETCQYMHSA-N 311.259 2.297 0 40 DEAB Cc1ccc(CNC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)cc1 32754950 ULESJMKZLNNFQR-HZPDHXFCSA-N 319.449 2.294 0 40 DEAB C[C@@H](NC(=O)C(=O)[C@@H]1C(=O)Nc2ccccc21)c1ccccc1 102232074 FNISCXVVIRBHKZ-IAQYHMDHSA-N 308.337 2.169 0 40 DEAB CCCn1nnnc1NC(=O)c1ccc(OCC)c(Cl)c1 107744 GHFOGEYQKBUZMF-UHFFFAOYSA-N 309.757 2.388 0 40 DEAB CCN1CCC[C@@H](NC(=O)NCCCc2ccc(OC)cc2)C1 52560251 CVLSUMSDJXTOKN-MRXNPFEDSA-N 319.449 2.411 0 40 DEAB COc1ccc2c(ccn2CC(=O)N[C@@H]2CCC[C@H]2OC)c1 79102372 YVCWKTNPNZEHFA-GDBMZVCRSA-N 302.374 2.334 0 40 DEAB CCOC(=O)[C@@H]1S[C@]2(C(F)(F)F)C[C@@]1(O)C(C)(C)CO2 2293535 GPTVOGPGALFQQS-SWPVVBRQSA-N 314.325 2.101 0 40 DEAB O=S(=O)(NC[C@H]1CCCN1)c1ccc(Cl)cc1Cl 79439682 DSACVEVWPXAAEF-SECBINFHSA-N 309.218 2.024 0 40 DEAB O=S1(=O)C[C@H]2N=C(Nc3cccc(Cl)c3)S[C@H]2C1 2462055 ZHYPAMBYCYMQMJ-ZJUUUORDSA-N 302.808 2.020 0 40 DEAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2F)C1 32913070 WIKJISIWXSMIRU-CQSZACIVSA-N 321.396 2.272 0 40 DEAB COc1ccc(CNC(=O)NCCCNc2ccccn2)cc1 32936002 HUGGOEBFJQPOPX-UHFFFAOYSA-N 314.389 2.392 0 40 DEAB Cc1cccc2sc(NC(=O)CN3CSCC3=O)nc12 6880240 IKKFZXUTUBDJAT-UHFFFAOYSA-N 307.400 2.076 0 40 DEAB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/c2ccn(C)c2)SC1=S 6884335 KKZSENKQLYBNIV-SDKXAQGSSA-N 324.427 2.336 0 40 DEAB COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1cccc(F)c1 54394563 MJCMVCDRGPPEKP-AWEZNQCLSA-N 308.353 2.182 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2[C@]23C=C[C@]12CCC3 101045301 USHCDBVHPUUUJH-RGCFKVTRSA-N 319.364 2.193 0 40 DEAB CN(CC(=O)O)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100177714 MECWROBWYIWUOB-GASCZTMLSA-N 320.389 2.240 0 40 DEAB C[C@@H](NCCC(=O)N1CCc2ccccc21)[C@@H](C)n1cccn1 69920176 VPDRCPDQYZNUKD-HUUCEWRRSA-N 312.417 2.402 0 40 DEAB C[C@@H](CNC(=O)Cc1csc(-c2cccs2)n1)C(=O)O 54310074 MEWJWVIWURRSPE-QMMMGPOBSA-N 310.400 2.251 0 40 DEAB CC(=O)Nc1ccc(C(=O)N[C@H](C)CN2CCCCC2)cc1 24801955 REPSBMBDPPQIDF-CYBMUJFWSA-N 303.406 2.249 0 40 DEAB CO[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCCN1C)c1ccccc1 106779160 MLCNIXQMQJUZSH-ULQDDVLXSA-N 302.418 2.459 0 40 DEAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2cccnc2)CC1 57173271 JBPRJCVCSUWBQQ-UHFFFAOYSA-N 305.378 2.211 0 40 DEAB COc1ccc(C(=O)N[C@H]([C@H]2CC=CCC2)N2CCC2=O)cc1 1410236 CCAZADNNULGVDL-GUYCJALGSA-N 314.385 2.340 0 40 DEAB CCN1C[C@@H](C(=O)N2CCC[C@H]2c2cccc(F)c2)CC1=O 55864416 QIOQZUCYTFLSRQ-ZFWWWQNUSA-N 304.365 2.358 0 40 DEAB Cc1cc(C)c(CNC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 107327298 JAOZBDYQFOFWJX-OBJOEFQTSA-N 305.447 2.144 0 40 DEAB NC(=O)c1ccsc1NC(=O)COc1ccc(F)c(F)c1 12684454 JSFIQJMQYSLCTP-UHFFFAOYSA-N 312.297 2.143 0 40 DEAB CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1cccc(C(C)=O)c1 26883760 VHHPGAXCDLGDPD-SMDDNHRTSA-N 311.403 2.077 0 40 DEAB O=C(Oc1ccccc1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2112813 NNZXKQPJBRHBKO-KGLIPLIRSA-N 310.353 2.466 0 40 DEAB biogenic C[C@H](NC(=O)N[C@H](C)c1c(F)cccc1Cl)C(=O)N(C)C 175958817 NDHBIGOFXQMZKW-BDAKNGLRSA-N 315.776 2.316 0 40 DEAB CCOC(=O)C(=O)Nc1ccc2c(c1)nc(C(F)(F)F)n2C 36360967 NMENVWJKCTUWHV-UHFFFAOYSA-N 315.251 2.094 0 40 DEAB Cc1cc(C)cc(OCCn2nnn(-c3cccs3)c2=O)c1 10814953 QVNGXUVHXNROFT-UHFFFAOYSA-N 316.386 2.186 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)c1cccnc1)c1cccc(F)c1 29081206 MKPJIONMGWQGFN-HNNXBMFYSA-N 310.332 2.474 0 40 DEAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1 11660743 ZFDMJHFNVMINHG-UHFFFAOYSA-N 322.361 2.127 0 40 DEAB O=C(COc1ccccc1Cl)NC(=O)NCc1ccco1 3514897 YUAXZGIOUDSKFG-UHFFFAOYSA-N 308.721 2.338 0 40 DEAB Cc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)c(F)c1 12917492 LFRSHAGKEKZUDM-UHFFFAOYSA-N 303.337 2.406 0 40 DEAB COC(=O)C[C@H](NC(=O)CCn1cccn1)c1ccc(C)cc1 48735153 GKVAXLZYYXLXDT-HNNXBMFYSA-N 315.373 2.002 0 40 DEAB COC[C@@H](C)NC(=S)N[C@H](C)c1ccc(-n2ccnc2)cc1 13069299 XSUHUXZVXRJSGV-CHWSQXEVSA-N 318.446 2.432 0 40 DEAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(C[C@H](C)O)CO2 13625435 YUXHZOBKBPRCHG-JTQLQIEISA-N 315.369 2.123 0 40 DEAB C[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C[C@@H](C)O1 14077441 ZKNSGGUCRBNNOE-PHIMTYICSA-N 303.337 2.465 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)O[C@@H]2CCCCC2=O)c1C 5326464 BPJCBYNPXHTYOF-GFCCVEGCSA-N 307.346 2.477 0 40 DEAB COc1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1F 14183782 BIDQPXGDKNNNDY-UHFFFAOYSA-N 314.316 2.362 0 40 DEAB CC(=O)c1ccc(NC(=O)c2cccc(-n3cnnc3)n2)cc1 21157276 UOZYPDNCJUVARN-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB C[C@H](C(=O)Nc1ccc(-c2nnc3n2CCC3)cc1)n1cccn1 81829529 GMOUWXXGJLJKRD-GFCCVEGCSA-N 322.372 2.288 0 40 DEAB Cc1cc(C)n(C[C@@H]2CN(c3ncnc4ccccc34)CCO2)n1 69349663 ONXJJBHTJMRHAW-HNNXBMFYSA-N 323.400 2.349 0 40 DEAB C[C@H](NC(=O)NCc1cccc(F)c1)C(=O)N1CCCC[C@H]1C 69369887 AFEGHSYPEPLVRM-OLZOCXBDSA-N 321.396 2.414 0 40 DEAB COC(=O)[C@@H](NC(=O)c1ccc(C)nc1)c1cc(F)ccc1F 69442055 SUYNFSJKELICMC-AWEZNQCLSA-N 320.295 2.312 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccc(F)cc2)nc1 69435092 VMFJDVJIOXKCRB-UHFFFAOYSA-N 315.348 2.217 0 40 DEAB CC(C)[C@@H](C)NC(=O)CCNC(=O)N1CCc2ccccc2C1 69776556 JCMHQHIKUFQTAK-CQSZACIVSA-N 317.433 2.305 0 40 DEAB CC(C)NC(=O)[C@@H](c1ccccc1)N1CCc2cncnc2C1 69773640 NZXZLDNOGFTZMQ-QGZVFWFLSA-N 310.401 2.101 0 40 DEAB O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1 71876311 HPISNHJEFYTMGA-CVEARBPZSA-N 304.369 2.005 0 40 DEAB CN(C)C(=O)CN(C)C(=O)[C@H](OC1CCCC1)c1ccccc1 71862892 KWPOUDCMBCSOIR-QGZVFWFLSA-N 318.417 2.234 0 40 DEAB Cc1c(C(=O)N2CCN(C[C@@H](C)O)CC2)oc2c(F)cccc12 71871070 OXWHSUBBKWGDCH-LLVKDONJSA-N 320.364 2.019 0 40 DEAB CCN1CCC(N(C)C(=O)Cc2cn3cccc(C)c3n2)CC1 71855425 XELUUNQMAGXYPN-UHFFFAOYSA-N 314.433 2.128 0 40 DEAB c1cc(CNCc2nnc3n2CCCC3)c2c(c1)OCCCO2 71817114 YWCFNSXBMGYOQS-UHFFFAOYSA-N 314.389 2.066 0 40 DEAB Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)n(C)n1 95399181 NBROUXZCASGVND-GFCCVEGCSA-N 321.764 2.328 0 40 DEAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CC[C@@H](O)C2)c1 97085217 ZZHICNSPTVMSFJ-JLCFBVMHSA-N 324.446 2.332 0 40 DEAB Cc1nnc([C@@H](C)NC[C@H](c2cccs2)N2CCOCC2)o1 72276601 HIAKYKPIBJCTGH-DGCLKSJQSA-N 322.434 2.164 0 40 DEAB COc1c([C@@H]2CCCN2[C@@H](C)c2nc(C)no2)c(C)nn1C 72253739 HZSJYYMIXJTGHN-JQWIXIFHSA-N 305.382 2.327 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 72298949 OWRJPKJYWOJQKU-NWDGAFQWSA-N 305.407 2.010 0 40 DEAB CCc1ccc(CNC(=O)C[S@@](=O)c2ccc(O)cc2)s1 95417814 SUNGCYRGKQPBEK-NRFANRHFSA-N 323.439 2.440 0 40 DEAB O=C1OCCN1c1cccc2c1CCN(C[C@H]1CCCOC1)C2 95426336 CLTGKXGMNRFXNY-CQSZACIVSA-N 316.401 2.428 0 40 DEAB CCc1cccc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1O 95458108 DFZRYWFSWCZABO-SUMWQHHRSA-N 305.374 2.023 0 40 DEAB CC[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1noc(C)n1 95995094 TVOOAJSPICWIGO-QWRGUYRKSA-N 310.398 2.474 0 40 DEAB CC(=O)c1csc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 95990225 RIUOPWRDVZNROQ-NSHDSACASA-N 304.375 2.436 0 40 DEAB CC(C)[C@@H](NC(=O)N(C)C1CCOCC1)c1nc(C2CC2)no1 74874058 YWACCNAMACAERS-CYBMUJFWSA-N 322.409 2.465 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCCc2ccncc2)n1 89594059 JERPGERLKCDBAN-CYBMUJFWSA-N 315.421 2.073 0 40 DEAB O=C(CCCn1cncn1)Nc1c(F)cccc1-n1cccn1 75138058 CQZILUMMCLVGCJ-UHFFFAOYSA-N 314.324 2.022 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)c(=O)[nH]1 75124143 CBNMTSPKHMYBJB-QLFBSQMISA-N 317.433 2.161 0 40 DEAB Cc1ccc(N2CCCN(C(=O)/C=C/c3ccco3)CC2)nn1 89652334 MQJDQYBLLCEYKN-SOFGYWHQSA-N 312.373 2.130 0 40 DEAB COCCOc1cccc(CN[C@H]2CCN(C(C)=O)C[C@H]2C)c1 89937576 OPCJWAXKBYOCDQ-KDOFPFPSSA-N 320.433 2.058 0 40 DEAB c1cc(CN2CC[C@@H]3[C@@H]2CCN3CC2CCOCC2)ccn1 306144284 ZBDVTIFYPZORBF-ZWKOTPCHSA-N 301.434 2.157 0 40 DEAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccccc1C(=O)O 72243047 YPKRXFSCTLFRPC-HNNXBMFYSA-N 311.341 2.291 0 40 DEAB COc1ccccc1OCC(=O)NC[C@](C)(O)c1ccccc1 70639599 LFTVPVFJDQGSQI-SFHVURJKSA-N 315.369 2.098 0 40 DEAB Cc1cc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)no1 70636334 UQPBZLIUXGWGDM-ZDUSSCGKSA-N 314.263 2.163 0 40 DEAB C[C@@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)CC2(CCC2)O1 565028402 GFXAWWPEBFHWMT-GFCCVEGCSA-N 312.373 2.255 0 40 DEAB O=C1N[C@](c2ccc(F)cc2)(C(F)(F)F)Sc2ncnn21 72238827 BXPWBBDWJBDTCR-JTQLQIEISA-N 318.255 2.496 0 40 DEAB NCCN(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CC1 79391857 ARRZYMAJRWRFKB-MRXNPFEDSA-N 317.433 2.068 0 40 DEAB COc1cccc(-c2cnc(N)nc2[C@H]2CCCN2C(C)=O)c1 72376775 OVOGREDNZVMTEV-OAHLLOKOSA-N 312.373 2.418 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccc(N)cc2)c2ccccc2O1 41157565 NWRXKITWFAWRHP-NSHDSACASA-N 304.371 2.245 0 40 DEAB O=C(O)c1cnc(OC2CCOCC2)c(Br)c1 40447916 XDYWFJMSRJYXGK-UHFFFAOYSA-N 302.124 2.100 0 40 DEAB Cc1[nH]ccc(=O)c1OCC(=O)N[C@@H](C)CCc1ccccc1 49543288 KFGRUQBUBXOUPS-ZDUSSCGKSA-N 314.385 2.200 0 40 DEAB biogenic C[C@@H]1C[C@@H](C)CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C1 47331033 URLXUAYGKYDELI-VXGBXAGGSA-N 300.424 2.008 0 40 DEAB CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)n2nnnc2N1 45895970 XTTGHBQBMNTVFY-LBPRGKRZSA-N 319.752 2.179 0 40 DEAB Cc1ccc(NC(=O)COc2cccc3c2NC(=O)CC3)nc1 227150777 RIMPNBFDYZRHOX-UHFFFAOYSA-N 311.341 2.292 0 40 DEAB C[C@@H]1CCCN(C[C@@H](O)COCCOc2ccc(F)cc2)C1 226170755 FTGWBCGALZPYGI-GDBMZVCRSA-N 311.397 2.314 0 40 DEAB COC(=O)c1ccc(NCc2ccccc2-n2ccnc2)nn1 195575630 ZYWWXGIIERMVPJ-UHFFFAOYSA-N 309.329 2.061 0 40 DEAB COc1ccccc1[C@@H](CNC(=O)Cc1c(C)noc1C)OC 96384796 VGWGBRLJGGICSP-MRXNPFEDSA-N 318.373 2.346 0 40 DEAB COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(C)cccc32)cc1 95116013 CIIGCMIUZOVGAL-GOSISDBHSA-N 311.337 2.416 0 40 DEAB CCO[C@@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96220597 XMJZIZQBDMPGSP-AWEZNQCLSA-N 309.431 2.477 0 40 DEAB C[C@@]1(NC(=O)Nc2ccccc2Cl)CCS(=O)(=O)C1 98072260 YOZLHMJVXAKFLX-GFCCVEGCSA-N 302.783 2.039 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)Cc3cccs3)CC2)CO1 96105783 RIPSWTZDWHYVTH-CYBMUJFWSA-N 309.431 2.335 0 40 DEAB Cc1nc(N2CCN(C(=O)NCc3ccco3)CC2)sc1C 96484008 RTFDOPOVSMHIEX-UHFFFAOYSA-N 320.418 2.385 0 40 DEAB COc1c(C(=O)NC(C)C)nnn1Cc1ccccc1Cl 96183554 KMXJLPRLWCBGHY-UHFFFAOYSA-N 308.769 2.127 0 40 DEAB COC[C@@H]1CN(Cc2cccnc2)Cc2ncn(CC3CC3)c21 96045062 XLFVSVMWORGNHG-INIZCTEOSA-N 312.417 2.434 0 40 DEAB O=C(CN1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1)N1CCCC1 257202965 AOBFLERHZMADPG-VQFNDLOPSA-N 314.429 2.398 0 40 DEAB OCCOc1cccc(CN2CCNC[C@H]2c2ccccc2)c1 257312782 UPLUOAGHYODHFC-IBGZPJMESA-N 312.413 2.204 0 40 DEAB CN(C(=O)Cc1ccc2ccccc2c1)[C@@H]1CCC[C@@H](O)[C@@H]1O 257317065 VIFDDKNWRZJYSH-ZHALLVOQSA-N 313.397 2.115 0 40 DEAB O=C(Nc1cnn(C2CCOCC2)c1)c1ccc2nccnc2c1 96123371 YKXGLHISMQTUQA-UHFFFAOYSA-N 323.356 2.430 0 40 DEAB COCC[C@@H]1CN(Cc2cc(C)nn2C)Cc2cccn2C1 585095052 BQARQDPXRJOYGN-OAHLLOKOSA-N 302.422 2.199 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2CCCO)c(F)c1 89616791 GHQYOBOCVAQSJA-LBPRGKRZSA-N 301.383 2.060 0 40 DEAB Cc1ccc(C(=O)C2CCN(C(=O)/C=C/C(=O)O)CC2)cc1 1336722 JAFOUCBKVBEDAC-VOTSOKGWSA-N 301.342 2.057 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1 5234446 RELPFLFRRXJAMU-UHFFFAOYSA-N 322.361 2.376 0 40 DEAB CC1=C(C(N)=O)[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=N1 13125244 USGAKCDXBMYSOT-LLVKDONJSA-N 324.171 2.012 0 40 DEAB CCOC(=O)[C@@H](C)NC(=S)c1nc2ccccc2nc1C 16682170 JIRAYMRTXMDONW-SNVBAGLBSA-N 303.387 2.155 0 40 DEAB COCC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1cc(C)no1 19121275 OKEURCXKKREIRL-ZDUSSCGKSA-N 318.377 2.084 0 40 DEAB OC1(Cn2ccc3ccncc32)CCN(Cc2ccccn2)CC1 19401551 UTCVXTPKVNWRCD-UHFFFAOYSA-N 322.412 2.458 0 40 DEAB O=C1O[C@@H](C(=O)Nc2ccc3c(c2)OCO3)Cc2ccccc21 6647749 CNMIGMPROMPDSZ-OAHLLOKOSA-N 311.293 2.136 0 40 DEAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1cc2c(nn1)CCOC2 1889191901 AOWCBWXZQKHWIE-UHFFFAOYSA-N 321.340 2.192 0 40 DEAB O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCCCC1 4071318 KZGJMLXNIUSMLN-UHFFFAOYSA-N 322.364 2.448 0 40 DEAB CCc1nccn1CC1CN(CC(=O)Nc2ccccc2F)C1 1848725071 AJGLYIFYJIGZKX-UHFFFAOYSA-N 316.380 2.155 0 40 DEAB C[C@@H](C(=O)N[C@H](c1cccnc1)C1CCOCC1)n1cccn1 225622876 QVTIVUOXQGFUOS-BBRMVZONSA-N 314.389 2.123 0 40 DEAB CC(C)c1noc(CN2CCC(NC(=O)C3CCC3)CC2)n1 368923080 SEALJIBJKCIFHL-UHFFFAOYSA-N 306.410 2.074 0 40 DEAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NCc2ccccc2)C1 40108604 ULDRDXXPIQQBCU-OAHLLOKOSA-N 303.406 2.133 0 40 DEAB O=C(N[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccccc1F 30823002 WUNNFHCZRCOCDW-GFCCVEGCSA-N 316.332 2.453 0 40 DEAB Cc1ccc(C[C@H]2CCCN(C(=O)c3ccc(=O)[nH]n3)C2)cc1 50769246 DOGYJKJATUSQFA-OAHLLOKOSA-N 311.385 2.173 0 40 DEAB O[C@@H](CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1F 51092111 IZRPWXSHQXMOHP-INIZCTEOSA-N 319.355 2.215 0 40 DEAB CC(=O)CN1C(=O)N[C@](C)(c2ccccc2C(F)(F)F)C1=O 40538742 XVQLGBMTGIQNHK-CYBMUJFWSA-N 314.263 2.061 0 40 DEAB 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2.357 0 40 DEAB CN(CCCNS(=O)(=O)c1ccc(F)cc1)c1ccccn1 48237972 JPCCTMGXZXIUBW-UHFFFAOYSA-N 323.393 2.026 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 27475838 WBWAWTHJINTDCN-UHFFFAOYSA-N 306.362 2.345 0 40 DEAB C[C@@H](NC(=O)c1cn2cccnc2n1)c1nc2ccccc2[nH]1 58101041 ZHJRFYVYDJMGTE-SNVBAGLBSA-N 306.329 2.097 0 40 DEAB O=C1CCCc2[nH]c(=O)c(C(=O)OCc3cccc(F)c3)cc21 58265848 BHYIRFMVRVEBFF-UHFFFAOYSA-N 315.300 2.390 0 40 DEAB CS[C@@H]1CCC[C@H]1N(C)S(=O)(=O)c1c[nH]c(C(C)C)n1 110656066 MATHNSAHKSUMOM-GHMZBOCLSA-N 317.480 2.438 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCOC(C)(C)C1 58407747 MATIWEFBDXZZRG-UHFFFAOYSA-N 318.402 2.160 0 40 DEAB Cc1nc(NC(=O)C2(n3cnnn3)CCCCC2)sc1C 36359160 WVWQGPMVLBXSCR-UHFFFAOYSA-N 306.395 2.045 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)NCc1ccc(C(=O)O)cc1 13261512 KXBJQRMHSAHOAU-UHFFFAOYSA-N 311.337 2.179 0 40 DEAB Cc1ccc(C(=O)NCCCNC(=O)c2ccccn2)cc1C 13494573 OPZHHKFXLAWBRP-UHFFFAOYSA-N 311.385 2.248 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)Nc2nc(C)cs2)c1 69841508 OBRIAGLJEZRAED-RYUDHWBXSA-N 307.423 2.134 0 40 DEAB O=C(NN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(Cl)cc1 18245097 HAQVDBINSBSGFB-TXEJJXNPSA-N 306.749 2.160 0 40 DEAB COCCOCc1cccc(NC(=O)N(C)C[C@H]2CCCO2)c1 65494243 SHFDPPLHTRPAOG-MRXNPFEDSA-N 322.405 2.492 0 40 DEAB CC(C)CN(CC(N)=O)Cc1nnc(-c2ccc(Cl)cc2)o1 65489913 PBEJJWFKXKSGTH-UHFFFAOYSA-N 322.796 2.333 0 40 DEAB COc1ccc(CNC(=O)Nc2ccc(N(C)C)nc2)cc1O 65595831 IZDCJPGUIIQDIM-UHFFFAOYSA-N 316.361 2.184 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1cnn(C)c1 14191769 WAPKBUDMJJBHMP-UHFFFAOYSA-N 306.797 2.452 0 40 DEAB Cc1noc(C)c1CN1C(=O)C[C@]2(CCc3ccccc32)C1=O 96004444 PFYRIEOIGVQBCI-SFHVURJKSA-N 310.353 2.435 0 40 DEAB Cc1csc(NC(=O)CN2CCC(N3CCCCC3)CC2)n1 26439282 DIHKZTPWQKUFKX-UHFFFAOYSA-N 322.478 2.340 0 40 DEAB Cc1cc(OC[C@H](O)CNCCCO)c(C(C)C)cc1Cl 7063766 AZQDERRRWQBLAU-CYBMUJFWSA-N 315.841 2.484 0 40 DEAB CC[C@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 7191919 BAGXCPBIJSEFKO-KRWDZBQOSA-N 317.389 2.343 0 40 DEAB O=C(c1cc(C2CC2)n[nH]1)N1CCN(c2ccccc2F)CC1 15679332 YKVRSAFJGOZMMO-UHFFFAOYSA-N 314.364 2.389 0 40 DEAB O=C(COC(=O)c1cc2ccccc2s1)NC[C@@H]1CCCO1 7412644 JZFVIXRAVSXDKR-LBPRGKRZSA-N 319.382 2.353 0 40 DEAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1nccn2ccnc12 83003689 LGLIKHMEDFQMEG-CYBMUJFWSA-N 321.384 2.210 0 40 DEAB Cc1nc(CN2CCN(C[C@H](O)c3ccccc3)CC2)oc1C 70040667 DPHNZVAAMAXSSZ-KRWDZBQOSA-N 315.417 2.143 0 40 DEAB COc1cccc(CN2CCN([C@H](C)c3nc(C)no3)CC2)c1 69348106 JFWPCNOGPMMSAU-CYBMUJFWSA-N 316.405 2.265 0 40 DEAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(COC)c1 69440458 PRDBAMYEQVRSJW-CYBMUJFWSA-N 308.403 2.083 0 40 DEAB CCN1CCCN(C(=O)c2ccc3nc(C)c(C)nc3c2)CC1 69464746 DTCLYQNOTFBGKE-UHFFFAOYSA-N 312.417 2.414 0 40 DEAB C[C@@H](CNC(=O)c1cccc2ccccc12)N1CCN(C)CC1 71867441 FYYWBYQHFXUILR-HNNXBMFYSA-N 311.429 2.206 0 40 DEAB Cc1nnc([C@H](C)N2CCN(C(=O)c3ccc(C)s3)CC2)o1 71819482 ZKBCVOPMAAUKCU-NSHDSACASA-N 320.418 2.267 0 40 DEAB Cc1ccc(-n2nnc(CC(=O)N3CCSCC3)c2C)cc1 71824124 GYLXAYGGLXXWOA-UHFFFAOYSA-N 316.430 2.002 0 40 DEAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)Cn1cccn1 71914393 QHNWAUCSONHSMH-XHDPSFHLSA-N 307.781 2.429 0 40 DEAB CN(CC1CCOCC1)C[C@@H](c1cccs1)N1CCOCC1 72281491 DMIFOBGBCWMDKF-INIZCTEOSA-N 324.490 2.480 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 72233968 ADQMYDDNGVOZCI-CQSZACIVSA-N 324.388 2.076 0 40 DEAB COCCOc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)cn1 95457619 DLTZHTDKUOCAPZ-STQMWFEESA-N 323.393 2.043 0 40 DEAB CC[C@@H](OC1CCCCC1)C(=O)NCc1cnc(N(C)C)n1C 95415324 BATQRZOPGAPZBB-OAHLLOKOSA-N 322.453 2.230 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(c1cnc3ccccc3n1)CC2 95400785 NXDILPQVSSWZPI-HZPDHXFCSA-N 313.401 2.386 0 40 DEAB C[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)N1CCSCC1 95401635 CQNBUIUDZHGMMR-RYUDHWBXSA-N 324.421 2.009 0 40 DEAB CCOc1cc(NC(=O)N(C)Cc2ncnn2C)ccc1C 84804983 ZCOYSDSEHAWPEH-UHFFFAOYSA-N 303.366 2.186 0 40 DEAB CCOc1ccc(C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 98013087 UCLLCCIOPRORQY-CYBMUJFWSA-N 303.280 2.225 0 40 DEAB C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@@H](c2nnn[nH]2)C1 95976992 KWTJAQQGHVISAR-QWHCGFSZSA-N 321.425 2.034 0 40 DEAB Cn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1=O 74706478 FSKHBEQPVDBSER-UHFFFAOYSA-N 310.397 2.480 0 40 DEAB CCS[C@@H]1CCC[C@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 75093924 QFMHVXDBZJMFTL-QWHCGFSZSA-N 323.462 2.191 0 40 DEAB Cc1cccc(CSCC(=O)N[C@H](C)[C@H]2CN(C)CCO2)c1 89669552 ICZAQXOHFXMDBB-GDBMZVCRSA-N 322.474 2.064 0 40 DEAB COC[C@H](O)CN[C@@H]1CCc2c(F)ccc(Br)c21 89703418 WPJPAAVSXQFAEZ-PRHODGIISA-N 318.186 2.172 0 40 DEAB O=C(CNc1ncncc1-c1ccccc1)NCc1ccco1 89851269 GQISWBMXFMQJNH-UHFFFAOYSA-N 308.341 2.465 0 40 DEAB CC(C)n1cnnc1CCNC(=O)CO[C@@H]1CCC[C@H](C)C1 89927348 KBCSJPXRILPYIQ-UONOGXRCSA-N 308.426 2.113 0 40 DEAB CN(Cc1cnccn1)C(=O)Nc1cnc(C(C)(C)C)nc1 172245709 PHRNTMLETODTLG-UHFFFAOYSA-N 300.366 2.228 0 40 DEAB CC1(C)CCN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)CC1 1551561105 MOIUIAJPIWYLBA-ZIAGYGMSSA-N 319.371 2.360 0 40 DEAB O=C(OCCCF)N1CCN(c2cc(Cl)ccn2)CC1 1561942742 DLLRNTTWGGQAAU-UHFFFAOYSA-N 301.749 2.353 0 40 DEAB CCn1nccc1C(=O)NCC1(c2ccccc2)CCOCC1 72265225 MQZJORHTVMQWET-UHFFFAOYSA-N 313.401 2.381 0 40 DEAB COc1ccccc1C(C)(C)NCC(=O)NCC(F)(F)F 78440881 YWMABJLWQZZHMG-UHFFFAOYSA-N 304.312 2.198 0 40 DEAB O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)C(F)(F)F 70238535 IVSVPYVHENXHPG-UHFFFAOYSA-N 324.056 2.120 0 40 DEAB COc1cccc(N2Cc3nc(=O)n(C4CCCC4)n3C2=O)c1 36360739 BXJPHAVECSEJBX-UHFFFAOYSA-N 314.345 2.157 0 40 DEAB CCN1CCN(C(=O)[C@H](C)Sc2ccc(OC)cc2)CC1 30860019 UVJZIGHSNZEYMB-ZDUSSCGKSA-N 308.447 2.340 0 40 DEAB O=C(Nc1ccccc1Cl)c1ccc(N2CCOCC2)nn1 75172682 GIXXGZNJJOITLZ-UHFFFAOYSA-N 318.764 2.219 0 40 DEAB C[C@H]1CN(C(=O)c2nnsc2-c2ccccc2)C[C@H](C)O1 72239994 CRICLLBPUGJKGO-QWRGUYRKSA-N 303.387 2.455 0 40 DEAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccc(Cn2cccn2)o1 72243152 KVZFOMOIGJJHCK-AWEZNQCLSA-N 305.378 2.051 0 40 DEAB c1ncc(N2CCC[C@@H](Cc3ccc(N4CCCC4)nn3)C2)cn1 72387281 SCLAMOIGLRZTMS-HNNXBMFYSA-N 324.432 2.326 0 40 DEAB CS(=O)(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2)n1 72361999 FAGKJXCYVLULFT-AWEZNQCLSA-N 319.386 2.365 0 40 DEAB COC(=O)c1ccc(CNC(=O)C(F)F)c(Br)c1 225628193 NNLJGGZJTFWHJQ-UHFFFAOYSA-N 322.105 2.117 0 40 DEAB C[C@@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1ccc(Cl)s1 135499166 FYHLBEBYJXRMQE-WCBMZHEXSA-N 309.840 2.341 0 40 DEAB Cc1cccc2[nH]cc(CC(=O)N3CCCC[C@H]3C(=O)O)c12 195541593 MGMARJKISZHGTI-AWEZNQCLSA-N 300.358 2.485 0 40 DEAB CN(C)C[C@@H]1CCN(C(=O)NCc2ccnc3ccccc23)C1 130250288 YLOBIKUHNXKPIA-AWEZNQCLSA-N 312.417 2.328 0 40 DEAB CCCN1CCC[C@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C 81818488 CGOFNMXLHUOTKZ-RDJZCZTQSA-N 308.422 2.095 0 40 DEAB CCOC(=O)c1cnc2c(OC)ccc(OC)c2c1N(C)C 40175619 DKOCWLPLBFVAQJ-UHFFFAOYSA-N 304.346 2.495 0 40 DEAB COC[C@H](C)NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224851203 FJKVQRGXNUQHEF-LBPRGKRZSA-N 318.373 2.434 0 40 DEAB C[C@H]1CN=C(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)S1 96449203 SCBQOWSJECFSEN-WDEREUQCSA-N 321.450 2.117 0 40 DEAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(OC)c(F)c1 96042003 UXAOQUKQZSVKQW-CWRNSKLLSA-N 323.364 2.243 0 40 DEAB CCn1nnc2c1[C@@H](COC)CN(Cc1ccc(F)cc1)C2 96060836 RATBHVYRSIAROU-CYBMUJFWSA-N 304.369 2.183 0 40 DEAB c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCCN2CCCC2)co1 96057921 XWRCJFTVSNUEPF-RCCFBDPRSA-N 320.433 2.124 0 40 DEAB Cc1nc(CN2CC[C@@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 96215521 QLRGULMKXCBUQX-INIZCTEOSA-N 322.478 2.421 0 40 DEAB CC(C)n1ccc(CCNC(=O)[C@@H]2Cc3cc(F)ccc3O2)n1 96418312 AXANHMOTXBDWAK-INIZCTEOSA-N 317.364 2.266 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(Cl)c1 96041422 BDSCCVSXWWYXRF-BFHYXJOUSA-N 313.756 2.498 0 40 DEAB CC(C)(NC[C@H](O)C(F)(F)F)c1ccc2c(c1)OCCO2 97378139 HFQLNIGJLRODCM-LBPRGKRZSA-N 305.296 2.206 0 40 DEAB CC(C)COC[C@H](C)NC(=O)NC[C@@](C)(O)c1cccs1 96417709 AMMOZZHQEMNCMD-SWLSCSKDSA-N 314.451 2.316 0 40 DEAB Cc1ncncc1C(=O)N1CC[C@@H](c2ncn3ccsc23)C1 257216867 CWLDBAPLVIWLDJ-LLVKDONJSA-N 313.386 2.124 0 40 DEAB CCCc1cc(C(=O)N2CCC(c3cnccn3)CC2)no1 257278768 ODPLXUJARVZJBX-UHFFFAOYSA-N 300.362 2.437 0 40 DEAB NC(=O)CCCNC(=O)c1csc(-c2ccc(Cl)cc2)n1 42926079 PPFBOFWDJCPIAF-UHFFFAOYSA-N 323.805 2.459 0 40 DEAB Cc1cccc2c1OC[C@H](NC(=O)N1C[C@@H](C)OC[C@@H]1C)C2 291313140 RWQQRRISQPCVOG-GZBFAFLISA-N 304.390 2.117 0 40 DEAB NC(=O)CC[C@]1(O)CCCN(Cc2ccc(Cl)c(F)c2)C1 585279834 ZNXJLZPEVFGHPA-OAHLLOKOSA-N 314.788 2.072 0 40 DEAB COC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccco2)c1 48326137 OSCKAHXGCKREAG-NSHDSACASA-N 303.314 2.322 0 40 DEAB CC(C)(C)c1nnc([C@H]2CCN(C(=O)c3cccnc3)C2)o1 49170824 RGMLVZNEAQZSMP-LBPRGKRZSA-N 300.362 2.392 0 40 DEAB biogenic,in-vitro O=C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1 54547313 XZFDCLUAPRTGEO-UHFFFAOYSA-N 308.381 2.245 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)N(C)C[C@@H]2CCCO2)cc1 69876905 BLRIZLWQXGDFPM-VSGCLNPGSA-N 303.358 2.124 0 40 DEAB Cc1nn(C)c(Cl)c1CNC[C@H](O)c1ccc(F)c(F)c1 65463603 PIOTTXQFZCMYCC-ZDUSSCGKSA-N 315.751 2.483 0 40 DEAB Cc1c(I)cnc(N)c1Br 96304889 UVOBSAMKJHNENG-UHFFFAOYSA-N 312.936 2.339 0 40 DEAB O=C(Cc1ccc(O)cc1Cl)N[C@@H](CO)Cc1ccccc1 97047646 HPDUDFJRWFWLMK-CQSZACIVSA-N 319.788 2.308 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2cc(C3CC3)ncn2)cc1C 585360941 HBLOYIIAAHVNFV-UHFFFAOYSA-N 317.414 2.449 0 40 DEAB Cn1cc(-c2ccc(CNC(=O)Nc3nccs3)cn2)cn1 585403283 PIOCGKBUSHCUDT-UHFFFAOYSA-N 314.374 2.260 0 40 DEAB Cc1[nH]ncc1C(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 96454422 HOZQWXDDILSELI-GUYCJALGSA-N 312.417 2.359 0 40 DEAB O=C(C[C@@H](NCCC1=CCCCC1)C(=O)O)Nc1cccnc1 5258816 IWZACRJORIUNCD-OAHLLOKOSA-N 317.389 2.344 0 40 DEAB Cc1ccc(OCC(=O)NC(=S)Nc2ccccn2)cc1 5588777 SYTUYCWSSMFJJQ-UHFFFAOYSA-N 301.371 2.282 0 40 DEAB CCC(C)(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 19144725 OMIBKQJDTNESHL-UHFFFAOYSA-N 307.785 2.298 0 40 DEAB COc1ccc(NC(=O)[C@H]2CCCCN2N)cc1OCC(C)C 19168194 BQIKOYMNHSZVAB-CQSZACIVSA-N 321.421 2.397 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169293739 KLUOKEFZKFKDQD-FKGLVLAHSA-N 311.337 2.175 0 40 DEAB CSCC[C@H](N)C(=O)N(C)Cc1cc(F)c(F)c(F)c1 158237176 LYQPYJHGKYOXMV-NSHDSACASA-N 306.353 2.143 0 40 DEAB O=C(O)c1csc(S(=O)(=O)Nc2cccc(F)c2)c1 15243184 BGZJVKKLLGLVBV-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB CCOCCCNC(=S)N1CCN(Cc2ccccc2)CC1 20097952 RROHLCGIDNKBFB-UHFFFAOYSA-N 321.490 2.105 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)o1 31258502 HWBNCUZEXFVNRZ-UHFFFAOYSA-N 305.403 2.311 0 40 DEAB CNC(=O)c1ccsc1NC(=O)c1ccc(OC)cc1OC 4275800 YCUALIDZZGYQDQ-UHFFFAOYSA-N 320.370 2.377 0 40 DEAB Cc1cccc(Cn2ccn(-c3cccc(F)c3)c(=O)c2=O)c1 4569877 HDQCAJWJKNTSMT-UHFFFAOYSA-N 310.328 2.495 0 40 DEAB CC(C)NC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3 4624007 KRDSWRINZSPSJL-UHFFFAOYSA-N 304.419 2.005 0 40 DEAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(CCF)CC1 390831119 PSECADIVKKDJAY-UHFFFAOYSA-N 309.429 2.252 0 40 DEAB CCCCC(=O)Nc1nnc(SCC(=O)OCC)s1 4078351 BBDCLKCIFQATOY-UHFFFAOYSA-N 303.409 2.322 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C2CC2)[nH]n1 40497456 OUXOEIDWQSZRNV-UHFFFAOYSA-N 313.357 2.331 0 40 DEAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccco1 150258 YRAAFUYLFOKEGT-UHFFFAOYSA-N 304.327 2.178 0 40 DEAB COCCCNC(=O)c1nnn(-c2ccc(C)cc2)c1C(C)C 40553278 LYJJCYMNBQGXLK-UHFFFAOYSA-N 316.405 2.465 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCc2c(C)noc2C)n1 40541150 MGYHSLYJEPCHFK-NSHDSACASA-N 318.421 2.490 0 40 DEAB CC(C)OCc1ccc(CNC(=O)c2ccc(=O)[nH]c2)cc1 40541842 JVOWSNGKFKGAHC-UHFFFAOYSA-N 300.358 2.230 0 40 DEAB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1OC 102183719 MGJQMEAQZZRVME-KUDNYVPYSA-N 313.353 2.405 0 40 DEAB COC[C@H](C)NC[C@@H](O)COc1cc(Cl)ccc1Cl 2639634 RXUYMXCFIDSZAZ-GXSJLCMTSA-N 308.205 2.358 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1cnc(C(C)(C)C)s1)CC2 69918910 WWLQIDYSMGBRLE-NSHDSACASA-N 305.451 2.445 0 40 DEAB CN(C)C(=O)c1cc(NC(=O)N2Cc3ccccc3C2)ccn1 77722449 VUMYCLDAVCGWRX-UHFFFAOYSA-N 310.357 2.331 0 40 DEAB CCc1ccc([C@@H](NC(=O)N2CCO[C@@H](CO)C2)C(C)(C)C)o1 78971308 HTEMROYGYSUDTD-UKRRQHHQSA-N 324.421 2.332 0 40 DEAB O=C(NCCc1nc[nH]n1)C(c1ccccc1)c1ccccc1 78994141 XUZHPFRTLQFMQZ-UHFFFAOYSA-N 306.369 2.296 0 40 DEAB CC(C)(C)C(=O)NC1CCN(CC(=O)N2CCCCCC2)CC1 4909717 XSEJTIKRBDTDTQ-UHFFFAOYSA-N 323.481 2.016 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCN(C[C@@H]3CCCCO3)CC2)n1 69928315 ZREHECACPBZBES-CABCVRRESA-N 322.453 2.441 0 40 DEAB CCc1cccc(OC[C@@H](O)CNC[C@H]2CCCN2CC)c1 22038710 QVEYJYLYMHELRN-SJORKVTESA-N 306.450 2.063 0 40 DEAB CC[C@H](C)NC(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 8197599 HZVDQWDPKFPKPC-STQMWFEESA-N 312.435 2.064 0 40 DEAB C[C@H](Cc1ccsc1)NC(=O)c1ccnc(-n2cncn2)c1 54140718 QNMLXFZVDUUXGX-LLVKDONJSA-N 313.386 2.085 0 40 DEAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1Cl 9483619 AVFXHWZCJCTLBL-BFHYXJOUSA-N 321.808 2.068 0 40 DEAB O[C@@H](c1ccccc1)C1CCN(c2ncnc3[nH]ncc23)CC1 12574108 ORVZYKSLAPQWEK-HNNXBMFYSA-N 309.373 2.303 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cncn1-c1ccccc1 24988968 AYZLFURREHZWDG-HNNXBMFYSA-N 321.384 2.413 0 40 DEAB CCC(=O)N1CCc2cc(C(=O)OCc3cnn(C)c3)ccc21 56229533 MXCHLWSHEBXGSF-UHFFFAOYSA-N 313.357 2.076 0 40 DEAB CNC(=O)NC(=O)CCSCc1cc(F)cc2cccnc12 56243496 IJTXGJITRXZQIP-UHFFFAOYSA-N 321.377 2.453 0 40 DEAB O=C(O)c1c(F)cccc1NS(=O)(=O)c1ccc(F)cc1 35306757 NLWNCNWZIHJBRY-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2ccc3c(c2)OCO3)O1 107204758 VGAQWNLIUUZNBX-KKUMJFAQSA-N 305.374 2.184 0 40 DEAB CC(C)n1nccc1NC(=O)CN(C)CCOc1ccccc1 48273954 KGNIGCPFVWZZLK-UHFFFAOYSA-N 316.405 2.413 0 40 DEAB CCc1ccc(CNC(=O)N2CCC[C@@H](NC(C)=O)C2)s1 48260863 MQPDMQYYZWSAQW-GFCCVEGCSA-N 309.435 2.121 0 40 DEAB CCOc1ccccc1NC(=O)CN1CCN(C(C)C)CC1 27418948 PDUIFFYYLBBROZ-UHFFFAOYSA-N 305.422 2.050 0 40 DEAB CCc1ccc(C(=O)NCCNC(=O)c2cccs2)cc1 8401581 LPIRIRAMCDYDTQ-UHFFFAOYSA-N 302.399 2.470 0 40 DEAB Cc1cc(C)cc(NC(=O)Cn2nnc3ccccc3c2=O)c1 3453535 IUNBILFDFLMKPF-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB Cc1cnc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cn1 12987006 MGMKXFXHOBZJDZ-OAHLLOKOSA-N 301.321 2.138 0 40 DEAB COc1cc2c(cc1OC)[C@@H](NC(=O)C(F)(F)F)CC2=O 4072836 GFZBONQUPPOREX-QMMMGPOBSA-N 303.236 2.010 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)c1 69878245 HUGYJRMUIIMGMT-DOTOQJQBSA-N 311.385 2.359 0 40 DEAB Cc1ccn2ncc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)c2n1 69849148 YTIFWIVKCARQKJ-CQSZACIVSA-N 324.388 2.020 0 40 DEAB Cc1nccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)n1 65516401 MDUHBLHUZGKZSY-JTQLQIEISA-N 310.357 2.161 0 40 DEAB C[C@@H]1CN(C[C@@H]2CCCCO2)CCN1C[C@H](O)c1ccccc1 69847198 HREBOXUYUJKQMZ-NEWSRXKRSA-N 318.461 2.295 0 40 DEAB Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ncc(-c3ccccc3)o2)cn1 66045055 KRFZLMOFIZQPQG-LSDHHAIUSA-N 322.368 2.495 0 40 DEAB CC[C@@H](CO)NC[C@H](O)COc1ccc(C(C)(C)C)cc1C 6626780 FHSOQWBPQITTJV-HOTGVXAUSA-N 309.450 2.393 0 40 DEAB Cc1n[nH]cc1-c1nnnn1-c1ccc(Br)cc1 5728493 DOAVRLRJYAEYDJ-UHFFFAOYSA-N 305.139 2.123 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@@H]1CCCO1 67125270 PUXILKTUHUGBGX-STQMWFEESA-N 312.410 2.071 0 40 DEAB O=C(CS(=O)(=O)C1CCCC1)N[C@H]1C[C@H]1c1ccccc1 67515935 MWFUTNNWPNZZHA-GJZGRUSLSA-N 307.415 2.016 0 40 DEAB Cc1nnnn1-c1cccc(C(=O)N(C)Cc2ccccc2)c1 71287488 KNGINPYZWULIBP-UHFFFAOYSA-N 307.357 2.243 0 40 DEAB NS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 15922756 YHOPACWCWYGQLN-UHFFFAOYSA-N 316.382 2.075 0 40 DEAB CCOc1ccc(OCCSc2nc(N)cc(N)n2)cc1 7784654 OLKMXVZRYFIBAI-UHFFFAOYSA-N 306.391 2.211 0 40 DEAB Cc1cc(I)ccc1N[C@@H]1CCOC1=O 7813716 VDRBWZSMNIGPJQ-SNVBAGLBSA-N 317.126 2.327 0 40 DEAB CCc1nc(CN2CCN(Cc3c(F)cccc3F)CC2)no1 93284106 SADHIFCDSRIJHU-UHFFFAOYSA-N 322.359 2.228 0 40 DEAB Cc1nc2ccccc2nc1CN1CCO[C@@H](Cn2cccn2)C1 69392064 JQBUQGOJYXUFAO-OAHLLOKOSA-N 323.400 2.036 0 40 DEAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)nc2)c1 9497460 QTZZHJPILYQZON-UHFFFAOYSA-N 300.314 2.438 0 40 DEAB O=C1NCCN1[C@H]1CCCN(CCOC2CCCCCC2)C1 96419558 FVHRWWYODWACLU-HNNXBMFYSA-N 309.454 2.215 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCC[C@H]1CO 96503306 FZLKZTJECQSPEP-CABCVRRESA-N 318.417 2.281 0 40 DEAB CCN(C(=O)c1ccc(OC)c(-n2cnnn2)c1)[C@@H](C)C(C)C 96500757 PBRQOSHJHAMYRP-LBPRGKRZSA-N 317.393 2.178 0 40 DEAB COCc1ccc(C(=O)N[C@H](CC(N)=O)C2CCCCC2)cc1 72310474 KQBLSCDGTZSHMM-MRXNPFEDSA-N 318.417 2.387 0 40 DEAB Fc1ccccc1Cc1nnc(NCc2cnc3cnccn23)o1 97045523 FACPUSKVBODIAR-UHFFFAOYSA-N 324.319 2.454 0 40 DEAB CCN1C[C@H](C(=O)N[C@@H](CSC)c2ccccc2)CC1=O 95398807 UMJFEQJIKLYEMA-KGLIPLIRSA-N 306.431 2.075 0 40 DEAB CC(C)Cc1nnc([C@H](C)n2nc(-c3ccco3)oc2=O)o1 95990783 GTQRHMJIISLUQO-VIFPVBQESA-N 304.306 2.287 0 40 DEAB CSc1cc(NC(=O)NCCCc2cnn(C)c2)ccn1 95982023 POLCWCKRZDROET-UHFFFAOYSA-N 305.407 2.291 0 40 DEAB C[C@H](Sc1nc(N)cc(=O)[nH]1)c1nnc(-c2cccs2)o1 9949236 VHPZQLVKXNUBPM-LURJTMIESA-N 321.387 2.317 0 40 DEAB CCN(CC(=O)Nc1cccc(OC)c1)C(=O)/C=C/SC 75107578 HGNGXEHDHFFBAB-CMDGGOBGSA-N 308.403 2.359 0 40 DEAB Cc1ccc(CNC(=O)N2CCC[C@H](c3nncn3C)C2)cc1 89632358 KJSVWBBXBSBNKI-HNNXBMFYSA-N 313.405 2.213 0 40 DEAB O=S(=O)(Nc1c(F)cccc1CO)c1ccc(F)c(F)c1 89768194 XJXZKDNXOYFCBZ-UHFFFAOYSA-N 317.288 2.397 0 40 DEAB CC(C)OCCN(C)C[C@H](c1cccs1)N1CCOCC1 89887860 PDFCTEQFMIDYSQ-OAHLLOKOSA-N 312.479 2.478 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)c1cc2c([nH]c1=O)CCC2 89866608 NQSPTHFGIICQEK-UHFFFAOYSA-N 321.380 2.317 0 40 DEAB C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1cc(C(=O)O)cs1 555741791 XLTMWRLOKZDHIZ-MRVPVSSYSA-N 310.375 2.080 0 40 DEAB Cc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1C 65224985 FPPDJAVVSQNNQK-UHFFFAOYSA-N 312.373 2.182 0 40 DEAB C=CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 35219965 FQYVFLYEIZCLKL-UHFFFAOYSA-N 308.403 2.294 0 40 DEAB Cc1ccc(NC(=O)c2nc3ncccn3n2)c(OC(F)F)c1 36618809 GCEOSJCVTOCXAQ-UHFFFAOYSA-N 319.271 2.286 0 40 DEAB C[C@@H]1COCC[C@@H]1CNC(=O)NC[C@H]1CCN1C1CCCCC1 527933611 QZDUJUVLKXAEII-BFYDXBDKSA-N 323.481 2.365 0 40 DEAB O=C(NCc1ccccc1)c1cc(NC[C@@H]2CCOC2)ccn1 79002383 HRGAJNGGBJHLFR-HNNXBMFYSA-N 311.385 2.460 0 40 DEAB CCN(CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391680 PAWFIZGJWGJFSR-INIZCTEOSA-N 306.406 2.102 0 40 DEAB O=C(CCc1nc2ncccc2[nH]1)Nc1ccc(C(=O)O)cc1 79464846 QZZYKJBWPCWAET-UHFFFAOYSA-N 310.313 2.227 0 40 DEAB C[C@H](C(=O)NC1CCCC1)S(=O)(=O)Cc1ccccc1F 36394633 NSNIANGOORUWAD-LLVKDONJSA-N 313.394 2.188 0 40 DEAB Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1 76384181 LXIDWCBHIYMGFI-GHMZBOCLSA-N 301.433 2.142 0 40 DEAB Cc1occc1[S@](=O)CC(=O)N1CCc2ccccc2C1 189653790 WYWXNYWGXPJYIY-OAQYLSRUSA-N 303.383 2.281 0 40 DEAB Cc1ncn(-c2c(F)cc(I)cc2F)n1 2362803542 JHRLKWKKEWJSBZ-UHFFFAOYSA-N 321.068 2.459 0 40 DEAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)NC(C1CC1)C1CC1 79953741 JQGCIWVCZBOGQH-CQSZACIVSA-N 304.394 2.372 0 40 DEAB Cc1cc(C(=O)N2CCC(C)CC2)nc([C@@H]2CCCN2C)n1 72387018 RJVJLRBWXVWTKX-HNNXBMFYSA-N 302.422 2.424 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](O)(CN)c2ccccc2)C1 72208099 QRWKUVKFTZFVNW-CRAIPNDOSA-N 320.433 2.480 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1 45952735 XSGLDHUMTGGWGV-VIFPVBQESA-N 312.163 2.283 0 40 DEAB CNC(=O)C1CCN(C(=O)CSCCC(C)(C)C)CC1 195573125 MQHYJGGAJKPDJC-UHFFFAOYSA-N 300.468 2.140 0 40 DEAB CC(C)OC(=O)[C@H](CCCO)NC(=O)OCc1ccccc1 40844989 SPCNGEWBZXQKHY-AWEZNQCLSA-N 309.362 2.006 0 40 DEAB Cc1[nH]ncc1C(=O)NCc1nccn1CCc1ccccc1 81931206 OKMCHYIYLDHYSQ-UHFFFAOYSA-N 309.373 2.087 0 40 DEAB O=C(NCCOc1ccc(C(F)(F)F)cn1)C1=CCCCO1 96473630 LUGRRFKVOBHNLN-UHFFFAOYSA-N 316.279 2.290 0 40 DEAB CCN1C[C@@H](COC)[C@]2(CCN(C(=O)c3occc3C)C2)C1 96218427 NJWYSKBTZFLBSJ-WMLDXEAASA-N 306.406 2.018 0 40 DEAB C[C@H](NC(=O)N1C[C@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1)c1cccc(O)c1 333689266 AQDKFVNYIXPWFV-BVEJOUGXSA-N 300.358 2.048 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCCC3)cc1 96345552 JKBWLXYZKUBQRZ-UHFFFAOYSA-N 311.385 2.459 0 40 DEAB CCc1cnccc1C(=O)N(C)c1c(F)cccc1C(N)=O 97103499 ITAXGKQZYIYABI-UHFFFAOYSA-N 301.321 2.159 0 40 DEAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3ccncc3)C2)C1 96073439 YPAJREOMJNOQIR-WMLDXEAASA-N 304.390 2.129 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3S(=O)(=O)C2CC2)cc1 96184519 XOFVQIAHDCBSQP-SJORKVTESA-N 320.458 2.136 0 40 DEAB O=C(c1csc(NC2CC2)n1)N1CC[C@]2(O)CCCC[C@H]2C1 95475666 WZZWJBYDWQKEMP-MEDUHNTESA-N 321.446 2.485 0 40 DEAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 96054042 OBIDYKBGQUVPGX-ROUUACIJSA-N 322.412 2.160 0 40 DEAB CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccco1 96502647 QQDCQPPYCTXQDX-UHFFFAOYSA-N 300.318 2.350 0 40 DEAB CN(C)C(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96057087 AGBYUCSWVKSWMZ-RHSMWYFYSA-N 319.405 2.013 0 40 DEAB CN(C(=O)c1cc(F)cc2cccnc12)C1(C(N)=O)CCCC1 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Cc1ccccc1O[C@@H]1CCC[C@H](NCc2nccn2C)[C@H]1O 585289916 XGLJDFVUUSBQPJ-YXJHDRRASA-N 315.417 2.179 0 40 DEAB CN1CCC[C@@H]1c1ccnc(N2CC3(CCOCC3)OC2=O)c1 585178792 DZACOUUXQNDDKG-CQSZACIVSA-N 317.389 2.354 0 40 DEAB C[C@@H](c1ccccc1)N1CCCN(S(=O)(=O)C2CC2)CC1 411688841 DFPCDXINUABVTM-AWEZNQCLSA-N 308.447 2.248 0 40 DEAB C[C@@H]1CN(C(=O)CSc2nc3ccccc3[nH]2)C[C@@H](C)O1 13284292 CKBTXSSWJHRNAD-GHMZBOCLSA-N 305.403 2.291 0 40 DEAB Cc1cccnc1-n1c(=S)[nH]c2cc(C(=O)O)ccc2c1=O 15424417 USPFITGISJLVQV-UHFFFAOYSA-N 313.338 2.450 0 40 DEAB Cn1cc(NC(=O)[C@H]2CCN(C(=O)CCC3CCCC3)C2)cn1 19748060 LHGYEQJWHWTDMN-AWEZNQCLSA-N 318.421 2.178 0 40 DEAB O=C(NCc1cccs1)Nc1nc2c(s1)C(=O)NCCC2 206890184 ISWDKODZFFVTPV-UHFFFAOYSA-N 322.415 2.202 0 40 DEAB CC1(C)C(=O)NCCN1C(=O)c1cccc(C(F)(F)F)c1 12234699 LHZSRLYYZPPUHN-UHFFFAOYSA-N 300.280 2.056 0 40 DEAB CC(=O)N1C[C@@H]2C[C@H](C)N(c3ncnc4cc(F)ccc34)[C@H]2C1 1888849501 WRVYLNDPAIETOT-PKWAYOAASA-N 314.364 2.214 0 40 DEAB Brc1cnccc1O[C@@H]1CCN(c2cnccn2)C1 1776009101 VESCDHQWWYDLEM-SNVBAGLBSA-N 321.178 2.292 0 40 DEAB Cc1ncnc(N2C[C@H]3CN(c4ncccc4F)C[C@H]3C2)c1C 2086856779 MWZJCCRJCPAZLN-OKILXGFUSA-N 313.380 2.200 0 40 DEAB O=C1NCCN1C(=O)NC[C@H](c1ccco1)c1cccs1 585147715 MUBTUEUKYXIRAT-SNVBAGLBSA-N 305.359 2.208 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3cc(F)cc(F)c3)CC2)no1 40465472 TTZRVGPHDFZQCG-UHFFFAOYSA-N 321.327 2.219 0 40 DEAB O=C(c1cccs1)N1CCN(CCc2ccncc2)CC1 20896927 BFMDHMYDQLFGRX-UHFFFAOYSA-N 301.415 2.144 0 40 DEAB CC(=O)c1ccc(OCC(=O)N[C@H]2CCN3CCCC[C@@H]23)cc1 60573320 YNBUTMPBUJLDIQ-IRXDYDNUSA-N 316.401 2.011 0 40 DEAB CCN1CCO[C@H](CNCc2c(C(C)C)nn(C)c2Cl)C1 69920058 VKOXJZAJTSLBPX-GFCCVEGCSA-N 314.861 2.007 0 40 DEAB C[C@@H](NC(=O)c1ccnc(Cl)c1)c1nnc2ccccn12 32823573 DHXYZAWLZBAJBV-SECBINFHSA-N 301.737 2.269 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)NCc1cn2c(C)cccc2n1 76094959 FHAZYAPYZUOLTM-UHFFFAOYSA-N 311.341 2.143 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n1 78892829 JLSMCCDCXFUCRS-AWEZNQCLSA-N 318.425 2.279 0 40 DEAB CS(=O)(=O)Nc1cc(NC(=O)c2ccccc2O)ccc1F 32909874 FLDORIPJKUQJPX-UHFFFAOYSA-N 324.333 2.155 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCC[C@@H]3C)n2)cc1 419579 VEWRONBKSIZEFA-DZGCQCFKSA-N 313.405 2.343 0 40 DEAB COC(=O)C1=NN(C(=O)c2ccc(C)cc2)[C@@](O)(C(C)(C)C)C1 499419 RTXLAWTWYFCPKH-KRWDZBQOSA-N 318.373 2.105 0 40 DEAB O=[n+]1c2c(n(O)c3cc(F)c(N4CCCC4)cc31)CCCC2 104202524 YCPUVPDRHUKHDS-UHFFFAOYSA-N 304.345 2.411 0 40 DEAB O=C(NCc1ccnc(N2CCOCC2)c1)NC1CCCCC1 47579363 RRIDIQSWCDDQDB-UHFFFAOYSA-N 318.421 2.050 0 40 DEAB COc1ccc2cc([C@H]3CC(O)=Nc4c3cnn4C)c(=O)[nH]c2c1 61718705 YXWIHVVDQRLRRX-LLVKDONJSA-N 324.340 2.394 0 40 DEAB O=C(NC1CC1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 61717540 WJNGRIWUSBPRJQ-UHFFFAOYSA-N 318.760 2.500 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106638224 IQTQUPOGTBALJL-UBHSHLNASA-N 307.415 2.256 0 40 DEAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cn1 25307319 SUSVFWSESHLXCL-SNVBAGLBSA-N 318.764 2.065 0 40 DEAB COCc1cccc(NC(=O)CNC(=O)c2cccs2)c1 25335261 BRGHJDIEFQXPAW-UHFFFAOYSA-N 304.371 2.263 0 40 DEAB O=C(COC(=O)c1cccnc1)N[C@H]1CCCc2ccccc21 3254702 RMJNUSALUHCEAC-INIZCTEOSA-N 310.353 2.432 0 40 DEAB O=C(NCCc1ccccn1)Nc1cccc(-c2nnco2)c1 44087422 VMDPSYRPJFIBLU-UHFFFAOYSA-N 309.329 2.496 0 40 DEAB CN1c2cc(Cl)ccc2-c2nc(S)ncc2S1(=O)=O 57352136 IBPOOXJPJPVQLI-UHFFFAOYSA-N 313.791 2.224 0 40 DEAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102352433 YYBMAEYGXSQPIO-YFKTTZPYSA-N 311.696 2.072 0 40 DEAB CCn1cc(NC(=O)NCCCc2nc(C(C)C)no2)cn1 58016470 ZKKAXSARTIAWAK-UHFFFAOYSA-N 306.370 2.164 0 40 DEAB COc1ccc2oc(C)c(C(=O)N3CCN(C(C)=O)CC3)c2c1 44814521 KECDLGPJHGWPPM-UHFFFAOYSA-N 316.357 2.054 0 40 DEAB O=C(c1cc(F)ccc1F)C1CCN([C@@H]2CCOC2=O)CC1 58229701 MUWHJIGDKHDDNM-CQSZACIVSA-N 309.312 2.175 0 40 DEAB CN1CCC[C@H]1CNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58213711 QIBBYMHHOAVQCL-HNNXBMFYSA-N 317.433 2.039 0 40 DEAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCN(C(C)C)C2)c1 58277944 FZXJHZVYERREGZ-GDBMZVCRSA-N 318.417 2.255 0 40 DEAB 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Cc1nc(CN[C@@H](C)CS(=O)(=O)c2ccccc2)cs1 119982439 NWFKSXVPSUOQAR-NSHDSACASA-N 310.444 2.404 0 40 DEAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccno2)C1=O 70850300 VAWWVNAWMRVODD-INIZCTEOSA-N 311.297 2.388 0 40 DEAB COc1ccc2oc(C(=O)NCc3n[nH]c(C)n3)c(C)c2c1 65568405 LTGWCSPQECGPNL-UHFFFAOYSA-N 300.318 2.106 0 40 DEAB Cc1ncc(C(=O)NCCN2CCc3sccc3C2)s1 65574929 ODWYCMDRBIXGFQ-UHFFFAOYSA-N 307.444 2.301 0 40 DEAB CC(C)c1ccc(NC(=O)CN2CCCC[C@H]2C(N)=O)cc1 14183252 CUSHOPFRMHQYNB-HNNXBMFYSA-N 303.406 2.088 0 40 DEAB CO[C@@H](C)C(=O)Nc1cc(C(=O)N2CCSCC2)ccc1C 65611644 QBUOMSCLGXGMNT-LBPRGKRZSA-N 322.430 2.157 0 40 DEAB COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)cn1 14229012 UCOGKPCQUZJHGL-BONVTDFDSA-N 300.314 2.257 0 40 DEAB O=S(=O)(NCc1ccccc1)c1ccc(-n2cccn2)cc1 6939508 UCTFYPOTUMKOIA-UHFFFAOYSA-N 313.382 2.351 0 40 DEAB Cc1ccccc1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 7312968 ZSPLRMDBDAVDJD-UHFFFAOYSA-N 321.380 2.101 0 40 DEAB c1cnn(-c2cncc(NCc3ccc4c(c3)OCCO4)n2)c1 69179786 CLKMYFVUSPCACQ-UHFFFAOYSA-N 309.329 2.046 0 40 DEAB Cc1nnc(SCC(=O)N[C@H](C)c2ccco2)n1C1CC1 8249083 ZXIXVZIBUTVEDD-SECBINFHSA-N 306.391 2.484 0 40 DEAB COC(=O)CCNC(=O)[C@H](C)Oc1ccccc1C(F)(F)F 69527564 ZXRUXYZGOOGRTQ-VIFPVBQESA-N 319.279 2.152 0 40 DEAB Cc1cnn(C[C@H](C)N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 69707089 ALKHNDVVYVLVJC-RYUDHWBXSA-N 321.812 2.245 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nnc(C(C)C)o1 69845122 WEODCTBKKVYNPL-KBPBESRZSA-N 306.410 2.168 0 40 DEAB CCCCOc1ccc(NC(=O)C[C@@H]2SC(=N)NC2=O)cc1 18116094 HYPLUISJCILIKR-LBPRGKRZSA-N 321.402 2.360 0 40 DEAB CCS[C@H]1CCC[C@H]1NC(=O)CNC(=O)c1cccs1 96450456 OVCNDUXZYBIOJY-MNOVXSKESA-N 312.460 2.268 0 40 DEAB CCCNC(=O)CC[C@@H]1N=C(O)N([C@@H](C)c2ccccc2)C1=O 9530897 NWQUZHOYQPKQMI-JSGCOSHPSA-N 317.389 2.179 0 40 DEAB O=C(COc1cc(F)ccc1F)N[C@@H]1CCC[C@H]1n1ccnc1 71879415 RFVNDBYWVXCDRE-ZIAGYGMSSA-N 321.327 2.450 0 40 DEAB Cc1ccccc1-n1nc(C(=O)N2CCOCC2)c2c1CCC2 71831087 CDRGXFZZCOMKHX-UHFFFAOYSA-N 311.385 2.142 0 40 DEAB C[C@@H](C(=O)N1CCC[C@@H]1Cc1cccc(F)c1)N1CCOCC1 71874834 NJEOJBAESTUDGK-WMLDXEAASA-N 320.408 2.080 0 40 DEAB O=C(O)c1ccccc1[C@H]1CCN(C(=O)c2ncccc2O)C1 72142005 RZWLJJYRRAPKBH-NSHDSACASA-N 312.325 2.115 0 40 DEAB CCc1nc(CN2CCc3ncnc(N(C)C)c3C2)cs1 97202623 SQVMZEOCDVAIDW-UHFFFAOYSA-N 303.435 2.120 0 40 DEAB O=C(N[C@H](CO)c1ccccc1)c1cnc([C@H]2CCCO2)s1 97233051 XCRLQMFYRGGWIB-CHWSQXEVSA-N 318.398 2.458 0 40 DEAB O=C(N[C@H]1CC[C@@H](C(=O)O)C1)c1ccc(Br)o1 97009335 ZMQDCSFVUZMRCO-RQJHMYQMSA-N 302.124 2.025 0 40 DEAB CN(C)c1ccc(C(=O)N2CCCC[C@H]2c2nccs2)nn1 72285822 IHUDMALIXDEBPQ-LBPRGKRZSA-N 317.418 2.367 0 40 DEAB CC(C)NC(=O)[C@H](C)ONC(=O)Cc1ccc2ccccc2c1 72291793 NXZLWKSIALKDPX-ZDUSSCGKSA-N 314.385 2.343 0 40 DEAB CCC[C@H](C)C(=O)Nc1cnn(CC(=O)Nc2cccnc2)c1 95396473 VPEGGKCRJDHFHU-LBPRGKRZSA-N 315.377 2.292 0 40 DEAB Cc1ccccc1C1(CNC(=O)Cn2cc(C3CC3)nn2)CC1 95415082 QCELJMNQXLBNEB-UHFFFAOYSA-N 310.401 2.312 0 40 DEAB CCc1c(C(=O)NC[C@H](C)Oc2ccc(OC)cc2)cnn1C 95403645 WTFRIHGFSBSKNN-LBPRGKRZSA-N 317.389 2.188 0 40 DEAB 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DEAB Cc1ccc(N2CCC(CNC(=O)c3ccsc3)CC2)nn1 70929617 FLOUHKMHPKVIIU-UHFFFAOYSA-N 316.430 2.493 0 40 DEAB C[C@H](CCCO)NC(=O)NCCc1ccc(F)cc1Cl 88563165 BQHXQIAIBKXRIX-SNVBAGLBSA-N 302.777 2.482 0 40 DEAB O=C(c1cccc(F)c1)N1CCC(CCN2CCOCC2)CC1 61648618 QRHXMKHSGCECTN-UHFFFAOYSA-N 320.408 2.400 0 40 DEAB Cc1csc(C(=O)N2CCN(C[C@H](O)c3ccco3)CC2)c1 85436783 XMZRYHCRUMCSSV-ZDUSSCGKSA-N 320.414 2.141 0 40 DEAB CCOC[C@@H]1CN(Cc2c(C)noc2C)Cc2ncn(C)c21 96044816 UVPAIWQLYQRMPF-ZDUSSCGKSA-N 304.394 2.161 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@](C)(O)c2cccs2)cn1 96417753 LJHNPNALORAXKQ-INIZCTEOSA-N 319.430 2.201 0 40 DEAB COC[C@@H]1CN(Cc2ccncc2)Cc2ncn(CC3CC3)c21 96060276 WCVBGIMHUOJQCS-INIZCTEOSA-N 312.417 2.434 0 40 DEAB O=C(N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 96462298 RQIDKFPSENONNO-MRXNPFEDSA-N 323.396 2.045 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)[C@@H]1Cc3ccccc3S1)C2 97199239 YKUOPFCSLQVTCP-ZFWWWQNUSA-N 313.426 2.340 0 40 DEAB Cc1cccc(C)c1CCNC(=O)NCCC1(C)OCCO1 96502961 JEGPITPWFPGHJW-UHFFFAOYSA-N 306.406 2.298 0 40 DEAB Cc1cc(C)nc(N2CC[C@H](OCCN3CCCCC3)C2)n1 96484307 HNDQIBRRLBJISV-INIZCTEOSA-N 304.438 2.175 0 40 DEAB CCN(CCNC(=O)NCc1noc(C)n1)c1cccc(C)c1 96437515 DVLCFLJSUKUGTQ-UHFFFAOYSA-N 317.393 2.012 0 40 DEAB CC(C)[C@H](NS(=O)(=O)CC1CCOCC1)c1ccccn1 96428100 UPXYUHJABRBSRR-HNNXBMFYSA-N 312.435 2.125 0 40 DEAB O=C(c1ccco1)N1CCCN(c2ncc(Cl)cn2)CC1 97212831 NUSWCZYWZILOAP-UHFFFAOYSA-N 306.753 2.076 0 40 DEAB O[C@@H](COCc1ccccc1)CN1CCC(c2cn[nH]c2)CC1 97200410 XUQTZCQOCSNYJR-GOSISDBHSA-N 315.417 2.167 0 40 DEAB COc1cccc(OC)c1C(=O)N1CCC[C@H]2CN(C)CC[C@H]21 248396944 KVRFKKBBRWXPDT-UONOGXRCSA-N 318.417 2.260 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257199643 AAGGOKXYGKSWFZ-GFCCVEGCSA-N 301.321 2.341 0 40 DEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1 257292549 QMBBNPHJAAZCKS-LBPRGKRZSA-N 321.812 2.049 0 40 DEAB O=C(NCc1ccc(C(=O)O)o1)c1csc([C@@H]2CCCO2)n1 262741996 GXOSDXAKVXNJED-JTQLQIEISA-N 322.342 2.216 0 40 DEAB Cn1cncc1C(=O)N[C@@H](c1ccccc1)C1(CO)CC=CC1 585141328 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CCn1nnc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)ccc21 69895795 RJGWSUYZHWSQRK-CQSZACIVSA-N 324.388 2.125 0 40 DEAB COCCNC(=O)Cc1ccc(OCc2c(C)noc2C)cc1 9579333 BFLXYMPDPATHAX-UHFFFAOYSA-N 318.373 2.176 0 40 DEAB CNc1snc(C)c1C(=O)NCCc1ccccc1OC 84026816 SJFUYDBHYAMHQD-UHFFFAOYSA-N 305.403 2.474 0 40 DEAB CN(C)Cc1cc(CNC(=O)c2ccc(O)cc2O)ccc1F 97059303 SEHQISLTCBKAFS-UHFFFAOYSA-N 318.348 2.229 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](CCC(=O)O)C1 97045086 URWBOEUKLLUISR-GWCFXTLKSA-N 308.378 2.498 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)N(C)Cc2cccs2)c1 72269932 YFTAVNPEKKCXIB-UONOGXRCSA-N 320.462 2.451 0 40 DEAB Cc1nc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)c[nH]1 72277929 NNPFMCCOLPILFN-NSHDSACASA-N 303.366 2.244 0 40 DEAB Cc1cnc(CNS(=O)(=O)c2c(F)cccc2Cl)o1 97380105 ILEHTVXRWGCODX-UHFFFAOYSA-N 304.730 2.254 0 40 DEAB Cc1ccc(-n2nnnc2Sc2ccc3nccnc3n2)cc1 95395417 JGPLVHRZSYWZHG-UHFFFAOYSA-N 321.369 2.460 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1C 84691625 HZFYKCJLJWWMGF-NFAWXSAZSA-N 307.438 2.075 0 40 DEAB Cc1cc(NCc2cccc3cn[nH]c23)ccc1-n1cnnn1 95428676 BBLTWMBPLOALHY-UHFFFAOYSA-N 305.345 2.459 0 40 DEAB CCC(=O)N1CC[C@@H](NC(=O)NCCCc2ccccc2C)C1 95417113 ULAHUJFUHSWCPP-MRXNPFEDSA-N 317.433 2.238 0 40 DEAB O=C(NCC1=COCCO1)c1c(F)cccc1Br 95408005 LORZDZMSYIIOOK-UHFFFAOYSA-N 316.126 2.206 0 40 DEAB Clc1ccc(N2CCN(CCCN3CCOCC3)CC2)cc1 95751976 ZGIOEVWNKYFXRK-UHFFFAOYSA-N 323.868 2.184 0 40 DEAB CCOC(=O)c1cnn([C@H]2CCCN(Cc3cncs3)C2)c1 95999632 REYPTCVXNFETMS-ZDUSSCGKSA-N 320.418 2.353 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ccc[nH]1 95992246 FXAQWEIMPDNQAX-ZDUSSCGKSA-N 321.739 2.343 0 40 DEAB CC(C)CO[C@H](C)C(=O)NCc1ccccc1Cn1cncn1 42396998 JNEMVFYAWZNPOW-CQSZACIVSA-N 316.405 2.004 0 40 DEAB O=C(NCCc1csc(N2CCCC2)n1)NCC(F)(F)F 75139453 MCPFKYHIALSIIS-UHFFFAOYSA-N 322.356 2.147 0 40 DEAB CCC(C)(C)N(C)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 75141886 KLCRNXDFAGJFDB-UHFFFAOYSA-N 324.446 2.388 0 40 DEAB CCn1nc(C)c2c(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc(C)nc21 28222272 OCFWXQKFASQWGJ-RYUDHWBXSA-N 316.405 2.317 0 40 DEAB CCOc1cc(CO)cc(I)c1OC 409048944 PMXVASROORLVMX-UHFFFAOYSA-N 308.115 2.191 0 40 DEAB NCCC(=O)N(Cc1ccc2c(c1)OCO2)C1CCCCC1 32198667 CTLBCDLRDWPVHW-UHFFFAOYSA-N 304.390 2.425 0 40 DEAB Cc1ccnc(N2CCC(CS(C)(=O)=O)CC2)c1Cl 515196313 KZLVNKNOYOQARV-UHFFFAOYSA-N 302.827 2.304 0 40 DEAB Cc1ncn(-c2ccc(I)cc2F)n1 2362803669 VSCILZSEOPZIGV-UHFFFAOYSA-N 303.078 2.319 0 40 DEAB O=C(CCSc1ccccc1)N1CC(Nc2ccncn2)C1 675008094 YRYJPBXBIYDHRA-UHFFFAOYSA-N 314.414 2.282 0 40 DEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)O)NC2=O 72340989 CCWUXQHRZFPQNH-CQLUGLBVSA-N 317.341 2.035 0 40 DEAB O=C(c1cc(O)nc(C2CC2)n1)N1CCOC[C@@H]1CC1CCC1 568214059 NUAUYYJFIUUKTM-ZDUSSCGKSA-N 317.389 2.091 0 40 DEAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCO[C@H](COC)C1 75804213 YGAKQQOTLKIGFB-SJORKVTESA-N 320.433 2.373 0 40 DEAB NC1=NC(=O)[C@](Cc2cccs2)(c2ccc(Cl)cc2)N1 71975889 VRYJUISLIDEZFF-AWEZNQCLSA-N 305.790 2.284 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)cn1 72385483 OWASOMAOJKJDHI-LBPRGKRZSA-N 302.403 2.336 0 40 DEAB CC1(C)C[C@@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CO1 563585660 SPRXRZTVHWJRGQ-HZPDHXFCSA-N 317.433 2.116 0 40 DEAB COc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2Cc2ccco2)cc1 49466713 PUZKLLBLESDAGM-GDBMZVCRSA-N 315.325 2.463 0 40 DEAB O=C(CCc1cccnc1)N1CC[C@H](n2cc(Cl)cn2)C1 564520969 LEWFTZWSGGQQNN-AWEZNQCLSA-N 304.781 2.338 0 40 DEAB COCCOc1cccc(C(=O)N2CCOC[C@@H]2C2CCC2)c1 565018549 RQCDXOFLWMOHCO-QGZVFWFLSA-N 319.401 2.353 0 40 DEAB O=C(O)C[C@@H](CC(=O)NC1CCC(O)CC1)c1ccccc1 226750298 NQNAHSGGCAFXLQ-WLYUNCDWSA-N 305.374 2.055 0 40 DEAB O=C(NCc1ccsc1)NCC1CCC2(CC1)OCCO2 192268593 UFGSUWODZKIAJQ-UHFFFAOYSA-N 310.419 2.481 0 40 DEAB CC[C@@H](C)NC(=O)CN1CCN([C@@H]2C=CCCCCC2)CC1 575430472 DWNGXTITRATIIU-IAGOWNOFSA-N 307.482 2.408 0 40 DEAB CCOC[C@@H](O)CSc1nnc(C)n1-c1ccccc1C 193783854 UWNYJWBLTUQXRQ-CYBMUJFWSA-N 307.419 2.374 0 40 DEAB CC(C)[C@H](NC1CCOCC1)C(=O)Nc1cnc(C2CC2)nc1 96487471 XEWIAZVNUJACMK-HNNXBMFYSA-N 318.421 2.086 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1cc(C)c(F)cc1Cl)C(N)=O 96469286 BSZRELCVDUEHEJ-MADCSZMMSA-N 300.761 2.417 0 40 DEAB CS[C@H]1CCC[C@@H]1N(C)Cc1nnnn1-c1ccccc1 96441750 HKIKNKWEUSPDJX-KBPBESRZSA-N 303.435 2.378 0 40 DEAB CC(C)n1cc(S(=O)(=O)N2CCOc3ccccc3C2)cn1 96427762 BYMYBAFNBCCKDJ-UHFFFAOYSA-N 321.402 2.047 0 40 DEAB CC(C)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 96226089 BUMNEDWVCOLVCM-QGZVFWFLSA-N 319.380 2.071 0 40 DEAB CN(C)CC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2ccnn21 248158234 ZYXKCTYHTBZZNV-OAHLLOKOSA-N 318.446 2.022 0 40 DEAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 257338599 YYDAGEIQBQTFSI-LBPRGKRZSA-N 313.405 2.304 0 40 DEAB Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257292519 QLXNDFOKOYOHEY-BRWVUGGUSA-N 302.418 2.103 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)n1 257237807 HIGJTKHJSXDMBC-CYBMUJFWSA-N 316.430 2.417 0 40 DEAB O=C(O)c1ccccc1-c1cnc(CNc2ccncn2)nc1 257278970 OELADIHDCLWPBX-UHFFFAOYSA-N 307.313 2.244 0 40 DEAB C[S@@](=O)c1cccc(NC(=O)NC2CCC(C(=O)O)CC2)c1 263496734 REJVGKCGKQOLGT-AUOQGKCVSA-N 324.402 2.189 0 40 DEAB CC(C)[C@H](C)NC(=O)[C@H](C)N(c1ccccc1)S(C)(=O)=O 260902611 UAXWCEANEWUIHL-STQMWFEESA-N 312.435 2.002 0 40 DEAB CCc1noc(COCC(=O)N2Cc3ccc(Cl)cc3C2)n1 822474043 ZWRBHJJYPQCGTH-UHFFFAOYSA-N 321.764 2.344 0 40 DEAB COc1nc2ccc(I)cc2cc1N 685936930 FTZNGJUFIQVSRI-UHFFFAOYSA-N 300.099 2.430 0 40 DEAB C[C@@](NC(=O)[C@H]1CC1(Cl)Cl)(C(=O)O)c1ccccc1 766963487 UOEXUTLHTHRHDN-SKDRFNHKSA-N 302.157 2.296 0 40 DEAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)C3CC3)C2)on1 72334764 WNYSGOMWTJFGSN-GFCCVEGCSA-N 300.362 2.489 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2cccc(-c3ncco3)c2)CC1 95436791 OAVVTZUFSABQAE-UHFFFAOYSA-N 314.345 2.038 0 40 DEAB COc1cc(Cl)ccc1S(=O)(=O)NCc1ccncc1 16780497 GWMWFZUYDBYVKC-UHFFFAOYSA-N 312.778 2.222 0 40 DEAB Cn1nccc1C(=O)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19289083 CKRPEMNZDQNIBA-GFCCVEGCSA-N 315.377 2.090 0 40 DEAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1nccn1C 19527182 ARUMENPLZYFSKN-KRWDZBQOSA-N 313.449 2.302 0 40 DEAB CCN(C(=O)c1cc(-c2ccccn2)n[nH]1)C1CCN(C)CC1 19657048 UQROHTZECHVCEJ-UHFFFAOYSA-N 313.405 2.028 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCOC[C@@H]1c1cccn1C 163985133 BQBGQLOENKPLHX-XHDPSFHLSA-N 317.389 2.334 0 40 DEAB Cn1cc(C(=O)NCc2nc(C3CCCCC3)cs2)nn1 390830701 MSIXOLAYWNKCBX-UHFFFAOYSA-N 305.407 2.249 0 40 DEAB CN(Cc1ccccc1)C(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1 289633132 IVNGIGUASFGSPT-LBPRGKRZSA-N 312.316 2.280 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1 4163455 LTNMWCXEMKGURC-GHMZBOCLSA-N 300.358 2.295 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)O)cs2)c1 13405961 LNZPIYLPDMXKLU-UHFFFAOYSA-N 322.342 2.040 0 40 DEAB O=C(c1ccc2nsnc2c1)N1CC(Oc2nccs2)C1 208030365 NSVARZUFWPINBI-UHFFFAOYSA-N 318.383 2.051 0 40 DEAB O=C(Nc1cc(Cl)ccc1O)c1nnn(-c2ccccc2)n1 75163334 XKWYPLBFLQGNPC-UHFFFAOYSA-N 315.720 2.274 0 40 DEAB Cc1ccc([C@H]2CCCCN2C(=O)CCS(C)(=O)=O)cc1 96423052 MCGKAIVNDYEBKJ-OAHLLOKOSA-N 309.431 2.483 0 40 DEAB Cc1cccnc1NC(=O)CCNC(=O)c1ccc(F)cc1F 10430815 XCRYHIDAIASZAS-UHFFFAOYSA-N 319.311 2.427 0 40 DEAB CC(C)[C@H](NC(=O)Cc1cccc(Br)c1)C(=O)O 50039841 WQOGNBMCKJIRPU-LBPRGKRZSA-N 314.179 2.217 0 40 DEAB CC(C)CCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 192126 SDQFJOZKKPWOGS-UHFFFAOYSA-N 324.450 2.218 0 40 DEAB CC[C@@H](C)NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C 40510321 HTJHQMDCTPRCCA-SNVBAGLBSA-N 318.421 2.441 0 40 DEAB COc1cccc2ccn(CC(=O)NC[C@H](O)c3ccccc3)c12 32123987 QRSOTQSZUOZYTR-INIZCTEOSA-N 324.380 2.500 0 40 DEAB biogenic O=C(NCCc1ccc(Br)s1)[C@H]1CCCO1 21072773 OFPOWDSAXXCKKA-SECBINFHSA-N 304.209 2.348 0 40 DEAB Cn1ccs/c1=N\C(=O)c1cc(Cl)c2c(c1)OCCO2 32548019 ZAQNRWUVQCFUEY-SQFISAMPSA-N 310.762 2.252 0 40 DEAB Cc1scc(C(=O)NN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C 102198347 SJEANPRXYASADQ-PHIMTYICSA-N 306.387 2.185 0 40 DEAB Clc1nc(NCc2cccnc2)nc(N2CCSCC2)n1 278569 RNWQWCWZMIZRPC-UHFFFAOYSA-N 322.825 2.085 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 2647275 KLUQXBSDAWQRHL-WCBMZHEXSA-N 318.204 2.245 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(NC3CC3)nc2)cn1 69629317 JLNFAVREBJLSJE-OAHLLOKOSA-N 311.389 2.367 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)Nc1cccnn1 76017912 WGFOYWFAPBYUNM-UHFFFAOYSA-N 313.386 2.328 0 40 DEAB CN(C(=O)COc1ccccc1OCCO)c1ccccc1 78381050 PSNUZORQSJULOQ-UHFFFAOYSA-N 301.342 2.100 0 40 DEAB COc1ccc(C(=O)N2C=Cc3ccccc3[C@@H]2C(N)=O)cc1 1718727 FPIOTLJQXBQJRD-MRXNPFEDSA-N 308.337 2.348 0 40 DEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)N[C@@H](C)C(C)C)c1 78600702 SZBFKVGSNGYZLG-NSHDSACASA-N 313.423 2.069 0 40 DEAB Cc1noc2nc(-c3cccs3)cc(C(=O)OCCO)c12 32903462 WRSMVFQURALJCV-UHFFFAOYSA-N 304.327 2.409 0 40 DEAB S=C(NCc1ccco1)NNC(=S)Nc1ccccc1 6644233 WBEOKKOYCXBKGE-UHFFFAOYSA-N 306.416 2.145 0 40 DEAB CC[C@H](C(=O)Nc1cc(F)ccc1C(C)=O)N1CCCC1=O 97107041 LKYKPPOICVVBIC-CQSZACIVSA-N 306.337 2.368 0 40 DEAB COc1ncccc1C(=O)OCC(=O)N(C)[C@@H]1CCCC[C@H]1C 61137929 LKXRGXICZRQDIW-TZMCWYRMSA-N 320.389 2.284 0 40 DEAB O=C(O)C[C@H](CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 57653758 RKGFFMXEFZYAQE-GXTWGEPZSA-N 309.337 2.069 0 40 DEAB NC(=O)COc1cccc([C@H]2CC(=O)Nc3ccsc32)c1 12428841 PVFCZUANWOJLBI-LLVKDONJSA-N 302.355 2.086 0 40 DEAB O=C(NCCC1=CCCCC1)C(=O)NCc1ccc(F)cc1 9912048 QMXXHXSRTBRSAC-UHFFFAOYSA-N 304.365 2.449 0 40 DEAB COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(C)cc1)C(=O)N2 1320656 BEHWHZXZNBJWAI-SFHVURJKSA-N 311.337 2.416 0 40 DEAB CCC(=O)N1CCc2cc(C(=O)N3CCSCC3)ccc21 53819307 IAPQPRLSLCORMZ-UHFFFAOYSA-N 304.415 2.175 0 40 DEAB CCn1nc(-c2nn3c(-c4ccccn4)nnc3s2)cc1C 61721345 GHIOTGCQKBHTHP-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB CCc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nnn[nH]1 57523472 SJELYPBSSILFLP-AWEZNQCLSA-N 322.372 2.122 0 40 DEAB O=C(NCc1ccncc1)c1ccc(Br)cc1O 44490542 GCFAKZNEUQCGGA-UHFFFAOYSA-N 307.147 2.480 0 40 DEAB Cc1ccc(C(=O)NCC(=O)NC(C)(C)C)cc1-n1cccc1 10086477 FUZJCOUNYMOPSJ-UHFFFAOYSA-N 313.401 2.430 0 40 DEAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc2c(c1)OCO2 58162015 AITBWWBSTXVPGT-HNNXBMFYSA-N 315.373 2.457 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1 44894996 QYHVVIOMCZUTKS-YPMHNXCESA-N 314.389 2.190 0 40 DEAB C[C@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1 58291672 VUUCWGGKHJCAJH-INIZCTEOSA-N 318.465 2.074 0 40 DEAB C[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1cccnc1 44936701 LCDXXGFDROUMHM-LBPRGKRZSA-N 310.357 2.102 0 40 DEAB C[C@@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccs1 44911770 SCZUCBSDNIZSJN-BDAKNGLRSA-N 320.336 2.336 0 40 DEAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3c[nH]ccc3=O)c2)n1 58429726 MABXELGLJUNZER-UHFFFAOYSA-N 322.368 2.489 0 40 DEAB CCCc1ccc(NC(=O)CCc2n[nH]c(=S)[nH]c2=O)cc1 10937340 KTBSYAZZVZJCNY-UHFFFAOYSA-N 318.402 2.351 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)COn1nnc2ccc(Cl)cc21 3417413 KJSWLQYOEDMPPF-ZYHUDNBSSA-N 322.796 2.208 0 40 DEAB CSCC[C@@H](NC(=O)CSC)c1nnc2ccccn12 48448509 PIQUYGIVLHZAKN-SNVBAGLBSA-N 310.448 2.003 0 40 DEAB C[C@@H](Sc1nncn1C)C(=O)NC[C@H](C)c1ccccc1 12976519 HCGAZUFNFXDLJN-NWDGAFQWSA-N 304.419 2.216 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2COc3ccccc3C2)cn1 69708332 SPUQRVBRKHNLBE-GDBMZVCRSA-N 311.385 2.335 0 40 DEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)n1 69708001 TVIJWGOTSXCYHO-QMMMGPOBSA-N 324.324 2.251 0 40 DEAB CCC[C@H](C)NC(=O)COC(=O)c1cc(Br)c[nH]1 13001073 SMHIRYOYZONKIZ-QMMMGPOBSA-N 317.183 2.239 0 40 DEAB Cc1ccc(CC(=O)N2CCN(c3nccs3)CC2)s1 48965180 WWURCFBIVRATBX-UHFFFAOYSA-N 307.444 2.404 0 40 DEAB O[C@H](CN1CCC2(CC1)OCCO2)c1c[nH]c2ccccc12 5196921 WSMXPTAQMGYPBR-MRXNPFEDSA-N 302.374 2.040 0 40 DEAB O=C(CS[C@H]1CCS(=O)(=O)C1)Nc1cccc(Cl)c1 14014443 JOOAHWBHMUDIMG-NSHDSACASA-N 319.835 2.199 0 40 DEAB CC(C)c1n[nH]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 8829630 CZBKPMXQNANVEW-UHFFFAOYSA-N 320.374 2.388 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cc2c(OC)cccc2[nH]1 5352163 MGXVRMRZCPNQBN-LBPRGKRZSA-N 301.390 2.391 0 40 DEAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nnn[nH]1 6453197 SHWBJUVDMGGIOH-UHFFFAOYSA-N 316.148 2.304 0 40 DEAB Cc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c(O)c1 14186980 PXUNREVJMTZABI-UHFFFAOYSA-N 319.382 2.498 0 40 DEAB CC[C@@]1(C)NC(=O)N(NC(=O)Nc2ccc(Cl)cc2)C1=O 14120405 ZGKLRHHWQLBTCW-CYBMUJFWSA-N 310.741 2.097 0 40 DEAB CC(C)CNC(=O)CSc1nncn1CCc1cccs1 14117658 ITMVJESMYOAZEF-UHFFFAOYSA-N 324.475 2.447 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)NCc1nccc2ccccc12 14386387 XRQICSNVFIYYRC-LBPRGKRZSA-N 323.352 2.263 0 40 DEAB C[C@H](OC(=O)C1CCCC1)C(=O)NCc1ccc2c(c1)OCO2 6640527 HVDPEKRWIFQOEH-NSHDSACASA-N 319.357 2.153 0 40 DEAB CCOc1ccc2c(c1)C(=O)C(=O)N2CCN1CCCCC1 6760749 COQIASUOYAONSR-UHFFFAOYSA-N 302.374 2.101 0 40 DEAB CCO[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 67861070 RGJMKXMVLSQMCQ-HNNXBMFYSA-N 304.434 2.440 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)COC3)cc1 68074860 LCLNBYDIEDAHGH-UHFFFAOYSA-N 319.338 2.216 0 40 DEAB Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C)C3CC3)ccc12 7951705 DHGZFRGHIBLDGM-LLVKDONJSA-N 301.342 2.395 0 40 DEAB Cc1nc2cc(NC(=O)CCNC(=O)c3ccco3)ccc2o1 8132080 XBPIHYOPCOQWKO-UHFFFAOYSA-N 313.313 2.488 0 40 DEAB CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 8247907 XBXRWHSGZCHHCN-OLZOCXBDSA-N 304.390 2.353 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)Nc1cccc(C(=O)N(C)C)c1 69321989 XQQPUKBVJSRCQE-ZDUSSCGKSA-N 320.437 2.240 0 40 DEAB Cc1cnn(C[C@@H](C)NCCCS(=O)(=O)c2ccccc2)c1 69515388 NOZJRPQLBSBCRJ-OAHLLOKOSA-N 321.446 2.034 0 40 DEAB COc1ccccc1-c1cc(NC(=O)[C@@H](C)n2ccnc2)[nH]n1 71856805 GRDDLIHKRJWTBG-LLVKDONJSA-N 311.345 2.482 0 40 DEAB c1ccc2c(c1)CCC[C@H]2OCCCNc1ccc2nnnn2n1 71905253 WRTKWVGPCOHFBE-OAHLLOKOSA-N 324.388 2.416 0 40 DEAB O=C(CN[C@@H](CO)c1ccc(Cl)c(F)c1)N1CCCCC1 97238450 DXXWVMPCNMFVHN-AWEZNQCLSA-N 314.788 2.115 0 40 DEAB Cn1cnnc1CNC(=O)Nc1ccc(OC2CCC2)c(F)c1 84331860 FXMLPXKGGUCAEO-UHFFFAOYSA-N 319.340 2.207 0 40 DEAB Cc1nc(C2(NCc3cc4ccccc4[nH]c3=O)CCC2)no1 97002307 LQBPPFVOYIYUIU-UHFFFAOYSA-N 310.357 2.389 0 40 DEAB O=C(CCN1CCO[C@H]([C@@H]2CCCO2)C1)c1ccc(F)cc1 97045767 DBTWMZIKTQMISW-IRXDYDNUSA-N 307.365 2.278 0 40 DEAB c1csc(CN(C[C@@H]2CCCO2)c2nccn3cnnc23)c1 97020040 MFHITHJUEOIJCX-LBPRGKRZSA-N 315.402 2.371 0 40 DEAB O=C(CN1CCCNC1=O)Nc1cccc(NC2CCCC2)c1 72287594 HIDHFYOZWGNNEQ-UHFFFAOYSA-N 316.405 2.395 0 40 DEAB CCCCc1noc(CN2CCN(C3=NC[C@@H](C)S3)CC2)n1 84746935 SHHWHLGWVGJHMO-GFCCVEGCSA-N 323.466 2.021 0 40 DEAB CC(C)OC1CCC(NC(=O)NC[C@H]2CCCN(C)C2)CC1 95434917 KCULTCVYKHXGEX-QQFBHYJXSA-N 311.470 2.364 0 40 DEAB O=C(OCc1cnns1)c1cnn(Cc2ccccc2)c1 95461474 IJBZWDTWLSBNQK-UHFFFAOYSA-N 300.343 2.140 0 40 DEAB COc1cccc(C(=O)N[C@H](CO)C(C)C)c1OC(F)F 95456376 MNQXDYKAARKRFF-SNVBAGLBSA-N 303.305 2.043 0 40 DEAB CN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H](O)c2ccccc2)C1 74102251 MNNXBBPVHRCSED-RTBURBONSA-N 324.424 2.453 0 40 DEAB O=C(N[C@H](C(=O)O)c1ccccc1)c1noc2c1CCCC2 95947187 DNSANPKYJLFKEK-ZDUSSCGKSA-N 300.314 2.109 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)nc1)C(=O)N[C@@H]1CC=CCC1 95976903 AKDYYSKEDVIWKG-SECBINFHSA-N 313.279 2.264 0 40 DEAB Cc1nc2cc(F)cc(C(=O)N3CCN(C)C[C@@H]3C)c2nc1C 89556207 QUTYDSJYROCTMT-JTQLQIEISA-N 316.380 2.162 0 40 DEAB CN1c2ccccc2C2(CCN(C3CCC3)CC2)S1(=O)=O 306127461 FZBDGPMZGKBIRP-UHFFFAOYSA-N 306.431 2.310 0 40 DEAB CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(Cl)nc(Cl)c1F 521398394 CPIRASNIZUCDIB-RITPCOANSA-N 307.156 2.249 0 40 DEAB O=C(c1c[nH]c2ccccc12)N1CC[C@@H](Oc2cnsn2)C1 675008199 HTMZQZVSVXRNSR-SNVBAGLBSA-N 314.370 2.313 0 40 DEAB Cc1noc(Cl)c1CC(=O)N[C@H](C)c1nnc2ccccn12 79336364 FPTXSWKNQSLLJH-SECBINFHSA-N 319.752 2.099 0 40 DEAB CC(C)OCc1ccccc1CNC(=O)c1ccc[nH]c1=O 31341825 XJIYXDNLCHWBLZ-UHFFFAOYSA-N 300.358 2.230 0 40 DEAB COC[C@@H]1CN(CCCc2ccccc2)CCN(C(C)=O)C1 72354485 PXBOEUCGURZMJC-GOSISDBHSA-N 304.434 2.046 0 40 DEAB CC(C)(F)C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1 182000913 PPIZIJDADVVEJU-AWEZNQCLSA-N 306.381 2.084 0 40 DEAB C[C@H](C(=O)O)N(C)c1ccc(I)cc1 224990378 SRYPWLOIBUCVKE-SSDOTTSWSA-N 305.115 2.201 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccncc1 222746143 GCSANKWIOZFBOL-AWEZNQCLSA-N 311.385 2.135 0 40 DEAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NS(C)(=O)=O 226353082 HWDCZNKVLNYVJT-UHFFFAOYSA-N 311.315 2.025 0 40 DEAB Cc1nnc([C@@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)o1 532355347 PFRYABIMYUXSDL-SSDOTTSWSA-N 305.363 2.126 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@H](C(=O)O)C2CC2)cc1F 571977380 GCRLVHMEQNXABM-OQPBUACISA-N 310.325 2.058 0 40 DEAB COCCN1C(=O)CC[C@]12CCCN(Cc1ccoc1)CC2 96047515 BDCKEEBAIICEMO-KRWDZBQOSA-N 306.406 2.273 0 40 DEAB O=C(NC[C@@H]1CNCCCO1)C1(c2cccs2)CCCCC1 333599939 UYNCOBMDSRAWPW-AWEZNQCLSA-N 322.474 2.445 0 40 DEAB C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1nc[nH]n1 95447740 HUWHRBDIAXOZNU-QMMMGPOBSA-N 319.415 2.211 0 40 DEAB COc1ccccc1OCC(=O)N1CC[C@@H]2O[C@@H](C)C[C@H]2C1 96045961 NTLFYYHMSREVKZ-IHRRRGAJSA-N 305.374 2.100 0 40 DEAB c1ccc2[nH]c(CN3CCN(C[C@H]4CCCOC4)CC3)nc2c1 96490483 WRHCMSOGOLDFQB-OAHLLOKOSA-N 314.433 2.107 0 40 DEAB CCn1nc(C)cc1C(=O)N1CCOc2ccc(OC)cc21 96431827 NGJMHJRIKNSMCF-UHFFFAOYSA-N 301.346 2.259 0 40 DEAB COCCN1Cc2cnn(CC3CCCC3)c2[C@@H](COC)C1 96068345 MUCPLRJYFFMWCS-MRXNPFEDSA-N 307.438 2.265 0 40 DEAB COc1cccc(NC2CCN(C(=O)c3cnccn3)CC2)c1 96413358 VLMIMRQGMDKSGQ-UHFFFAOYSA-N 312.373 2.202 0 40 DEAB CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1 96052286 RQVPTTITIYOFHS-QZTJIDSGSA-N 322.424 2.137 0 40 DEAB Cc1cc(C)nc(NS(=O)(=O)c2cc(F)c(C)cc2F)n1 96502841 GVIRTYOKSMXJHF-UHFFFAOYSA-N 313.329 2.481 0 40 DEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccccc2)o1 96115253 OPIPWMGGXYHKBJ-CYBMUJFWSA-N 318.325 2.187 0 40 DEAB biogenic CC(C)(C)OC(=O)N[C@H](Cc1ccc(Cl)nc1)C(=O)O 91690094 ANKIRQAIQPGNLW-SECBINFHSA-N 300.742 2.255 0 40 DEAB c1cnc(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)nc1 96105970 JCDDFJLKHORRQW-OAHLLOKOSA-N 303.406 2.279 0 40 DEAB Cn1cncc1CN1CC2(CO[C@@H](Cc3ccc(F)cc3)C2)C1 257232619 GLRBVAXNJMESEE-KRWDZBQOSA-N 315.392 2.393 0 40 DEAB O=C(c1cnccn1)N1CCC(c2csc3nccn23)CC1 257313683 UTQDVHPKMNGCPH-UHFFFAOYSA-N 313.386 2.206 0 40 DEAB COC[C@H]1CN(C(=O)c2cnc3ccccc3c2)Cc2cncn21 253613832 OOLQZTJYUDMAFH-MRXNPFEDSA-N 322.368 2.275 0 40 DEAB O=C(O)[C@H]1C[C@H](Nc2ncnc3c2oc2ccccc23)[C@H](O)C1 662895905 JGFBVYHVYXXUJY-INTQDDNPSA-N 313.313 2.012 0 40 DEAB O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1coc(Br)c1 97231736 ZHOHDODMRMRAHQ-POYBYMJQSA-N 302.124 2.025 0 40 DEAB CC1([C@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2)OCCO1 97372516 LLFIRWOKAWJHTK-NSHDSACASA-N 310.781 2.350 0 40 DEAB NC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 16985204 HSGBMDOYVFUTNT-UHFFFAOYSA-N 324.380 2.472 0 40 DEAB CN(C)C(=S)SN[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 19419303 BZUVVGOYZLCCGE-LBPRGKRZSA-N 323.443 2.248 0 40 DEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCCC(C)C)c1 9953509 JGZPXEIREPZRBM-UHFFFAOYSA-N 305.378 2.379 0 40 DEAB Clc1cnn(CC2CN(c3ncnc4ncccc34)C2)c1 1889138801 HLGLJKNSIXXFPE-UHFFFAOYSA-N 300.753 2.011 0 40 DEAB CCC(CC)C(=O)NC1CN(c2ncnc3ccsc23)C1 1776009837 SXQIAGDNCCTGHC-UHFFFAOYSA-N 304.419 2.432 0 40 DEAB O=c1c2ccsc2ncn1C[C@H](O)COCc1ccccc1 25062604 PCJRNZRYPRMOGN-ZDUSSCGKSA-N 316.382 2.036 0 40 DEAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccno2)o1 12234442 MIPUMZNUCQIUEG-UHFFFAOYSA-N 320.692 2.396 0 40 DEAB COc1cccc([C@H]2CC(=O)Nc3nc(N)sc32)c1OC 12371642 AOHMSQUIYJCECI-MRVPVSSYSA-N 305.359 2.217 0 40 DEAB COc1ccccc1OCC(=O)NC[C@@H](OC)c1ccco1 206860214 LDHUREDNKUERTI-OAHLLOKOSA-N 305.330 2.171 0 40 DEAB C=CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)cc1 51625970 NPZKRNNCGFQCRS-NSHDSACASA-N 318.373 2.271 0 40 DEAB CCC(Nc1ccc(C(C)C)cc1)=C1C(=O)NC(=O)NC1=O 101036713 HGTTUQVDPGLLOZ-UHFFFAOYSA-N 301.346 2.252 0 40 DEAB O=C(OC/C=C/c1ccccc1)c1cnc2n(c1=O)CCS2 32777649 JYTAMJRHDAASKD-QPJJXVBHSA-N 314.366 2.219 0 40 DEAB CC(=O)NC(=S)Nc1ccc(Cc2c(C)nn(C)c2C)cc1 568386 KQTVGOMVUVZWFL-UHFFFAOYSA-N 316.430 2.461 0 40 DEAB NC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531371 DAFOIAKUSWOOAG-UHFFFAOYSA-N 303.387 2.089 0 40 DEAB Cn1c(=O)c2ccccc2n(Cc2ccccc2Cl)c1=O 542864 RFCWETFCHGYRBM-UHFFFAOYSA-N 300.745 2.402 0 40 DEAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N(C)CC(N)=O 46979833 QPGKOBLLIJUWEI-UHFFFAOYSA-N 323.805 2.329 0 40 DEAB COC(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 10794741 FZRUXVBBBDATPQ-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CN(Cc1nc2ccccc2s1)C(=O)NC[C@H]1CCOC1 47068472 XEQPFSHNICTGNY-LLVKDONJSA-N 305.403 2.474 0 40 DEAB CC(C)Oc1ccc(C(=O)NCCCN2CCCC2=O)cc1 22625771 SRNUHJIJLPZYBO-UHFFFAOYSA-N 304.390 2.216 0 40 DEAB Cc1ccc(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)cc1 22532983 XOMOZWHWUNKTGG-UHFFFAOYSA-N 309.369 2.367 0 40 DEAB CCCCc1noc(Cn2ncc(Cl)c(Cl)c2=O)n1 29478778 MRFYUNCVVLRTBY-UHFFFAOYSA-N 303.149 2.324 0 40 DEAB O=C1CCC(=O)N1CCSc1ncc(-c2ccc(F)cc2)[nH]1 23055466 AVUGRJDCFVGYDX-UHFFFAOYSA-N 319.361 2.457 0 40 DEAB C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)NC1CCCC1 24747631 MAKLLTNLULGHRO-GFCCVEGCSA-N 315.417 2.438 0 40 DEAB C[C@@H](O)CNc1nc2ccccc2n1CC(=O)Nc1ccccc1 12535182 YFCQUWCCPHLPIN-CYBMUJFWSA-N 324.384 2.468 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 106638226 IQTQUPOGTBALJL-FPMFFAJLSA-N 307.415 2.256 0 40 DEAB Cc1ccc2nc(CNc3ccc(C(N)=O)cc3C)cc(=O)n2c1 55840656 CPCVJVQRPPGVNO-UHFFFAOYSA-N 322.368 2.022 0 40 DEAB Cc1ccc(OC[C@@H](O)CN2CCN(C)CC2)c(C(C)(C)C)c1 27531037 NYPWXAGXIWSVQW-INIZCTEOSA-N 320.477 2.280 0 40 DEAB CCOc1ccc(CCC(=O)N[C@](C)(CC)C(=O)OC)cc1 58210266 NGSLZLJCVJOHHA-QGZVFWFLSA-N 307.390 2.476 0 40 DEAB O=C(CN1CCC(c2cc[nH]n2)CC1)N1CCc2ccccc2C1 58218584 DEXOFYKHRKJENU-UHFFFAOYSA-N 324.428 2.174 0 40 DEAB O=C(Nc1ccn(Cc2ccncc2)n1)c1cc(C2CC2)[nH]n1 58228421 GSVKDYNUUYYHRM-UHFFFAOYSA-N 308.345 2.179 0 40 DEAB Cc1nccn1-c1cc(CNc2ncccc2C(=O)O)ccn1 58392605 NJLPOWZIJJOGDL-UHFFFAOYSA-N 309.329 2.281 0 40 DEAB CCNC(=O)CCCc1nc(-c2ccc(OC)c(OC)c2)no1 2239705 CXALJIQRCGMJKC-UHFFFAOYSA-N 319.361 2.213 0 40 DEAB COc1ccc(NC(=O)CCc2ccccc2)cc1-n1cnnn1 36358290 QTWZQDZUFHMHKP-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB O=C(CCc1ccsc1)N1CCN(C(=O)c2ccoc2)CC1 45432813 HAAIGIVIQFHVGL-UHFFFAOYSA-N 318.398 2.258 0 40 DEAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(C(N)=O)cc1 36727881 WQNBSVDLGTZVKB-LLVKDONJSA-N 316.332 2.008 0 40 DEAB CC(=O)N[C@@H](CC(=O)N(C)Cc1cccnc1)c1cccs1 48314412 LUKJXDKRRNNCML-AWEZNQCLSA-N 317.414 2.369 0 40 DEAB CC(C)(C)n1cc(CNCCNC(=O)c2cccs2)cn1 48715940 GTDGSFANPUJXBY-UHFFFAOYSA-N 306.435 2.219 0 40 DEAB O=C(O)C[C@@H](NC(=O)COc1ccccc1)c1cccs1 13388974 PNKMQUGDRQFEEE-GFCCVEGCSA-N 305.355 2.459 0 40 DEAB COc1ccc(-c2cc3ncn(CC(=O)O)c(=O)c3s2)cc1 4218491 CVEMZYIRIIYTNZ-UHFFFAOYSA-N 316.338 2.218 0 40 DEAB COCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 4384126 MQUDYUITROHOAD-UHFFFAOYSA-N 309.753 2.085 0 40 DEAB CCCn1c(SCC(=O)NCCC2=CCCCC2)n[nH]c1=O 14069375 JCTOYXCWDHIVHW-UHFFFAOYSA-N 324.450 2.080 0 40 DEAB CCN1CCN(C[C@H](O)c2ccc(OC(F)(F)F)cc2)CC1 65565631 DFQJNRQURHQNDL-AWEZNQCLSA-N 318.339 2.256 0 40 DEAB CC(C)(C)NC(=O)CN1CCc2cc3c(cc2C1)OCCCO3 5346962 DXAKPDGENHEZGJ-UHFFFAOYSA-N 318.417 2.121 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)CCc3cscn3)C2)c1 71185999 VTSZYUVYAYETNA-AWEZNQCLSA-N 304.419 2.444 0 40 DEAB CCc1ccc(CNC(=O)N[C@H](C)C(=O)N[C@H](C)CC)s1 71186249 KJHRGLJJVMKQQV-GHMZBOCLSA-N 311.451 2.413 0 40 DEAB CC(C)NC(=O)c1cccc(CNC(=O)N2CCSCC2)c1 67465703 RKZZFYNAJNSJCN-UHFFFAOYSA-N 321.446 2.083 0 40 DEAB CCn1c(-c2ccccc2)cnc1S[C@H](C)C(=O)NC(N)=O 7127056 ZGSCQEFYVRLTQB-SNVBAGLBSA-N 318.402 2.246 0 40 DEAB CN1CCC(NC[C@H](O)c2cccc(OC(F)F)c2)CC1 90910740 DWZSFDWDLLTGLA-AWEZNQCLSA-N 300.349 2.005 0 40 DEAB O=C(NC[C@@H]1COc2ccccc2C1)c1cnc2ccccn12 91304003 HWGOHYRSFHUIFG-CYBMUJFWSA-N 307.353 2.315 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2nc(-c3cccnc3)no2)c1 70040083 DEAASMSGCNWBFW-OAHLLOKOSA-N 324.388 2.301 0 40 DEAB COc1ccccc1C(=O)NCCN(C)C(=O)OC(C)(C)C 69451212 OINJLSBTDFWVRV-UHFFFAOYSA-N 308.378 2.292 0 40 DEAB Cc1cc(CNCC2CCN(CCO)CC2)c2ccccc2n1 69415285 YDJWDUWUSXDYEB-UHFFFAOYSA-N 313.445 2.337 0 40 DEAB CCCc1nnc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)s1 96421836 AAMYERUATKRWAH-GDPRMGEGSA-N 310.423 2.426 0 40 DEAB C[C@@H](NC(=O)c1cccc(C2OCCO2)c1)C(C)(C)CN(C)C 97230281 KMBIFQUWPUSEME-CYBMUJFWSA-N 320.433 2.438 0 40 DEAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)N(C)C)n[nH]2)s1 71802043 IULHVJRPFFGKOG-SECBINFHSA-N 307.375 2.080 0 40 DEAB C[C@@H](O)CN(C)S(=O)(=O)Cc1ccc(Cl)cc1Cl 97084097 NEKPFIOBFRPPNI-MRVPVSSYSA-N 312.218 2.136 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3csc(C)n3)C2)n1 72235566 KHOGWSLYXGSJLK-GFCCVEGCSA-N 305.407 2.137 0 40 DEAB O=C(Nc1cn[nH]c1)N(CCCO)[C@H]1CCc2ccccc21 72285550 ANEVHLWOIRZJGX-HNNXBMFYSA-N 300.362 2.314 0 40 DEAB C[C@H](NC(=O)N1CCC1)c1cc(F)ccc1N1CCC(O)CC1 72271375 WNSMQGOTCDFXOE-LBPRGKRZSA-N 321.396 2.263 0 40 DEAB O=C(OCc1nc2ccccc2o1)c1n[nH]c(=O)c2ccccc12 95431520 KVAVZNWUZYCAAK-UHFFFAOYSA-N 321.292 2.421 0 40 DEAB CNC(=O)c1cccc(NC(=O)N2CCc3sccc3C2)n1 95437965 MJUNEODKYGIHIJ-UHFFFAOYSA-N 316.386 2.093 0 40 DEAB O=C(CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CC1)NC1CC1 95408246 OUYUZVQHVKUBQS-JKSUJKDBSA-N 316.376 2.199 0 40 DEAB Cc1ccc([C@H](C)NC(=O)NCCCN2CCOCC2)cc1F 88478503 CCQWAIQVZGDPNH-AWEZNQCLSA-N 323.412 2.217 0 40 DEAB CS(=O)(=O)CCN1CCC[C@@H](Oc2ccccc2Cl)C1 95973213 KHEKDGUFHLTVLG-GFCCVEGCSA-N 317.838 2.228 0 40 DEAB COCCOCCC(=O)N1c2ccccc2N(C)CC[C@@H]1C 95961452 FMWXMRNVUJJOQJ-AWEZNQCLSA-N 306.406 2.301 0 40 DEAB O=C(c1cccnc1NC[C@H](O)C1CC1)N1CCc2ccccc21 89861311 WKKCWAFVOZNABE-KRWDZBQOSA-N 323.396 2.467 0 40 DEAB CCC(C)(C)NC(=O)NCc1cccc(NC(=O)CN(C)C)c1 89942020 VXLOUNLNLLCIFV-UHFFFAOYSA-N 320.437 2.175 0 40 DEAB C[C@@H]1CC[C@H](NC(=O)NC[C@H](CO)Cc2ccccn2)[C@H](C)C1 89922523 QKONPVYATXHSLH-ANQUJSFKSA-N 319.449 2.357 0 40 DEAB COc1ccc(F)c(C(=O)NCCc2cscn2)c1OC 188597610 DYDNSIAKSGOMDM-UHFFFAOYSA-N 310.350 2.272 0 40 DEAB c1cc(N2CCC[C@@H]2c2ccnc(Nc3cnccn3)n2)ncn1 72378031 NXGPNXODGBYZQC-CYBMUJFWSA-N 320.360 2.142 0 40 DEAB O=C(CN1CCC[C@@H]1COc1ccccc1)Nc1nncs1 79090790 WGBZBOJLEQPSDL-GFCCVEGCSA-N 318.402 2.020 0 40 DEAB COc1ccc(CNC(=O)COc2cccc(OC)c2)cc1 44508935 JTOSCKYQJTYKAX-UHFFFAOYSA-N 301.342 2.399 0 40 DEAB Cc1ncsc1COC(=O)C1CCN(c2cnccn2)CC1 80288418 GIDKASUBGUOYIX-UHFFFAOYSA-N 318.402 2.201 0 40 DEAB Cc1cc(OCCN(C)C)ccc1NC(=O)c1snnc1C 225418853 CUFSFQWPWWLDPB-UHFFFAOYSA-N 320.418 2.348 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCCCO3)cn2)n1 329932505 ITQKLOFXEHLHEH-UHFFFAOYSA-N 300.362 2.442 0 40 DEAB Cc1nnc(S(=O)(=O)CCOC(C)C)n1C1CCCCC1 83025106 ANCFHKJLBUMIFO-UHFFFAOYSA-N 315.439 2.290 0 40 DEAB Cc1ccc2c(c1)N(C(=O)CCn1ccccc1=O)C[C@H](C)O2 81389304 SRLOCBXQCONQFD-AWEZNQCLSA-N 312.369 2.361 0 40 DEAB CC(C)(C)c1nnc([C@H]2CCN(C(=O)c3ccccn3)C2)o1 49170830 SLGAUDKICHTNDL-NSHDSACASA-N 300.362 2.392 0 40 DEAB biogenic,in-vitro O=C(Cn1cnc2ccccc21)NC[C@H]1Cc2ccccc2CO1 225784240 OWMOORUHOCXRLB-MRXNPFEDSA-N 321.380 2.294 0 40 DEAB CC(C)N1CCCC[C@H]1C(=O)NCC[C@@H](O)c1ccccc1 195533746 WJRIWKRRJLTMCG-DLBZAZTESA-N 304.434 2.489 0 40 DEAB OCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccs1 223562349 CLHBPEXTJHOHOX-OLZOCXBDSA-N 305.428 2.108 0 40 DEAB COC(=O)c1ccc(F)c(S(=O)(=O)N(C)c2ccccc2)c1 145520627 BRESQARHNBPZLM-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB Cc1nccc([C@H]2C[C@@H]3CCN(C4CCOCC4)C[C@H]3O2)n1 96046170 LHYULAZZBLZPBK-IAOVAPTHSA-N 303.406 2.116 0 40 DEAB Cc1cncc(C(=O)NCCCCN2C[C@H](C)O[C@H](C)C2)c1 96461209 IWGICSHCGMDSRX-GASCZTMLSA-N 305.422 2.009 0 40 DEAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N1CC[C@@](C(=O)O)(c2ccccc2)C1 578445071 OQYKQXTTXLGXKB-PWDMQXDWSA-N 311.381 2.454 0 40 DEAB COC[C@H]1CCC2(CCN(c3ncccn3)CC2)N1CC1CC1 96208214 QXRCFYGJCYOCCF-MRXNPFEDSA-N 316.449 2.336 0 40 DEAB CCS(=O)(=O)NCCSc1ncc(C(C)C)n1C1CC1 96416364 KCRAUKAYJLVJLD-UHFFFAOYSA-N 317.480 2.373 0 40 DEAB Cc1cc(C)c2c(c1)[C@@H](NS(=O)(=O)Cc1ccon1)CCO2 95402873 JYDKXCJJLNDKNZ-AWEZNQCLSA-N 322.386 2.235 0 40 DEAB CCOC(=O)c1cc(C(=O)OCC)n(Cc2ccc(F)cc2)n1 96530924 LRWMJZNTFOMHSG-UHFFFAOYSA-N 320.320 2.424 0 40 DEAB COc1cccc(N2C[C@@]3(CCN(C(=O)C4CC4)C3)CC2=O)c1 96238953 TUIKBLJJIHMQHP-SFHVURJKSA-N 314.385 2.061 0 40 DEAB O=C1N[C@]2(C[C@H]3CC[C@H]2N3Cc2ccncc2)Nc2ccccc21 247846217 DISJTXFLJNDMLU-BJZITVGISA-N 320.396 2.370 0 40 DEAB CO[C@H]1CN(C(=O)c2ccc3ccccc3n2)Cc2ccnn2C1 247814117 ACVAGDTUTLCRET-HNNXBMFYSA-N 322.368 2.102 0 40 DEAB COc1ccc(CN2C[C@H]3[C@H](N4CCCC4)COC[C@H]3C2)cc1 247915008 VRKDJJYFEHEEDW-BHIYHBOVSA-N 316.445 2.238 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccc(C)nc2)[C@@H](c2ccccc2)C1 257289419 PYNKZMQLCJAZDX-GOSISDBHSA-N 323.396 2.436 0 40 DEAB CN1[C@H]2CC[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@H]1CC2 254292597 MNFKNWZDZOBKJX-WCXIOVBPSA-N 303.402 2.321 0 40 DEAB Cc1nc(O)cc([C@H]2COCCN2Cc2ccc(C)s2)n1 257215714 CRHSWCKTVJFTJR-CQSZACIVSA-N 305.403 2.434 0 40 DEAB Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)c4cc[nH]n4)C3)ccc12 257264978 LWUMFCXFJIOLDX-GFCCVEGCSA-N 324.388 2.020 0 40 DEAB O=C(O)CC[C@H]1CCCCN1C(=O)Cc1ccc2cn[nH]c2c1 263456283 UOYYGXTZZNHIFH-CQSZACIVSA-N 315.373 2.351 0 40 DEAB c1ccc(OC[C@H]2CCn3cncc3CN2Cc2cn[nH]c2)cc1 585098046 SQRHIFJXXLMHKC-MRXNPFEDSA-N 323.400 2.460 0 40 DEAB O=C(c1ccc2ccccc2c1)N1Cc2ccnn2CC[C@H]1CO 585097172 IEZLTCISKNPWKQ-SFHVURJKSA-N 321.380 2.443 0 40 DEAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Br)o1 49452306 PHNGPUOKHKUWJX-SFYZADRCSA-N 317.183 2.075 0 40 DEAB CNC(=O)CO[C@@H]1CCCOc2cc(Br)ccc21 1535184746 UOFPBAVTBTWGRW-LLVKDONJSA-N 314.179 2.425 0 40 DEAB CCS(=O)(=O)CC(=O)N[C@@H](c1ccccc1)C1CCCC1 56095317 CYGJHJVGSYHUKA-INIZCTEOSA-N 309.431 2.469 0 40 DEAB CCC(CC)C(=O)Nc1cccc(Cn2nc(O)ccc2=O)c1 56095787 YRKGYDWQEPMDAN-UHFFFAOYSA-N 315.373 2.372 0 40 DEAB C[C@@H](CCc1ccccc1)CC(=O)N1CCC[C@@H](C(N)=O)C1 58300666 DEXBSGCJBULVHT-GOEBONIOSA-N 302.418 2.369 0 40 DEAB Cc1ccc(N2CCN(c3nc(C(=O)O)cs3)CC2)cc1 169676776 KNKQCSQYBOOYBU-UHFFFAOYSA-N 303.387 2.476 0 40 DEAB C[C@@H](NS(=O)(=O)C1CCOCC1)c1ccccc1Cl 57877262 QPLSMZXWBXTDDN-SNVBAGLBSA-N 303.811 2.499 0 40 DEAB COCCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cccc(C)c1C 69492099 GJYHRETVQHQGPC-ZBFHGGJFSA-N 305.374 2.314 0 40 DEAB C[C@H](O)[C@H]1CCCCN1Cc1csc(-c2ncccn2)n1 69741145 QPLNPOXIYFLZPZ-WCQYABFASA-N 304.419 2.335 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cc3ccccc3n2C)c(=O)[nH]1 75120528 PODIEZUENJKNLZ-UHFFFAOYSA-N 309.369 2.413 0 40 DEAB CC(C)(C)OC(=O)N1[C@H](c2ccc(F)cc2)COS1(=O)=O 1542984418 YHKBCMZOALUBAA-NSHDSACASA-N 317.338 2.379 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2cccc(Cl)c2Cl)N1 5818856 NQGABRDQLKJHOJ-MWLCHTKSSA-N 312.156 2.405 0 40 DEAB Cc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccco2)n1 5409743 FFXRDYFQGWYAHM-UHFFFAOYSA-N 323.352 2.128 0 40 DEAB CSc1nnc(NC(=O)CSC2=NCCS2)s1 12407740 LSHUJNURUNPATN-UHFFFAOYSA-N 306.463 2.035 0 40 DEAB O=c1[nH]c2cc3c(cc2cc1CNCc1ccco1)OCCO3 13999162 JQSYYJDIOOFDSU-UHFFFAOYSA-N 312.325 2.182 0 40 DEAB COc1ccc(C2=NO[C@@H](CC3(C(=O)O)CCOCC3)C2)cc1 19553890 SXEAVJYTNFTUDA-CQSZACIVSA-N 319.357 2.460 0 40 DEAB COc1cccc(C[S@](=O)c2ccc(NC(C)=O)cc2)n1 163576110 JVBRYYSETQZSGR-OAQYLSRUSA-N 304.371 2.356 0 40 DEAB O=C(NCC[C@@H]1CCCO1)c1ccc(N2CCCC2=O)cc1 23875953 LLEQJWBCEXSNAE-HNNXBMFYSA-N 302.374 2.112 0 40 DEAB CCc1nnsc1C(=O)N1CCN(Cc2ccsc2)CC1 24394142 JJXVNMFXJMSHFR-UHFFFAOYSA-N 322.459 2.120 0 40 DEAB CCOc1ccccc1-n1ccn(CCC(C)C)c(=O)c1=O 2086962034 HTDWIKMZVPCBKH-UHFFFAOYSA-N 302.374 2.444 0 40 DEAB CN(C)CCN1CCCC12CCN(C(=O)c1ccsc1)CC2 1565547928 YOTLJTUEPGJPLR-UHFFFAOYSA-N 321.490 2.380 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@H]3CN(C(C)C)CCO[C@@H]3C2)o1 1565546776 KENVZNZTNYEHLZ-GDBMZVCRSA-N 306.406 2.159 0 40 DEAB CCCCC(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1 7420708 UHHOCTWNBQZDAI-UHFFFAOYSA-N 303.366 2.010 0 40 DEAB CC(C)(C)c1ccc(NC(=O)NCCN2C(=O)COC2=O)cc1 1775966738 WVLKCBPORBHZFT-UHFFFAOYSA-N 319.361 2.084 0 40 DEAB CC(C)NC(=O)Cn1cnc(-c2ccc(Cl)cc2)cc1=O 23230900 DKGSPVKJQPNIIP-UHFFFAOYSA-N 305.765 2.088 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)c2ccc3nsnc3c2)o1 49026798 GDVIQHWPCRQLLO-LBPRGKRZSA-N 303.343 2.056 0 40 DEAB COc1ccc([C@@H](C)NC(=O)CN2CCSC2=O)cc1OC 40498892 LMKIFZCYZSQYOF-SNVBAGLBSA-N 324.402 2.050 0 40 DEAB Cc1[nH]c2nc(NCc3cccc(Cl)c3)nn2c(=O)c1C 100641589 WPOSFOAUJQPNGM-UHFFFAOYSA-N 303.753 2.300 0 40 DEAB COc1ccc([C@H]2CCCN2CCC(=O)N(C)C)cc1OC 40554446 PHJVZHGUYARWRN-CQSZACIVSA-N 306.406 2.319 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 51444028 KUNHPXQIRQZVNN-NSHDSACASA-N 322.792 2.176 0 40 DEAB CCCS(=O)(=O)c1ccccc1C(=O)NCc1cccnc1 20613004 POYWOKGVRVLJJL-UHFFFAOYSA-N 318.398 2.195 0 40 DEAB O=C(NCCc1ccc(O)cc1)c1nc(-c2cccs2)no1 20745229 XVAFLYTZDXFUIE-UHFFFAOYSA-N 315.354 2.476 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(OC)cc1 194919 MVPWNABXZYWWAE-CQSZACIVSA-N 320.414 2.393 0 40 DEAB Cc1cc2cc(C)c3nnc(SCC(N)=O)n3c2cc1C 414986 BYBZJXADQIZUCE-UHFFFAOYSA-N 300.387 2.385 0 40 DEAB CCC[C@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 13717366 MJVBNDWXJCZTPB-LBPRGKRZSA-N 302.374 2.368 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@](C)(O)c2cc(C)oc2C)cn1 76085413 ZCYZUBLKBLGBIK-QGZVFWFLSA-N 317.389 2.307 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NC[C@H](O)COc1ccccc1 69349470 REGRGVRGHAYYMJ-ZDUSSCGKSA-N 318.373 2.276 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)no1 76043505 KCMBZPFRICOVDH-UFBFGSQYSA-N 304.350 2.450 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)CO2 1362107 WJOTUXUPLYODQI-UHFFFAOYSA-N 316.382 2.098 0 40 DEAB C[C@H](Cn1cccn1)Nc1ccc2nnc(-c3ccccc3)n2n1 69390308 WBSBVMNQMRADNW-CYBMUJFWSA-N 319.372 2.488 0 40 DEAB CCO[C@@H]1C[C@@H](NC2=NS(=O)(=O)c3ccccc32)C12CCC2 78360302 ZLWFMIGYOHYWPZ-ZIAGYGMSSA-N 320.414 2.073 0 40 DEAB CCOC(=O)N[C@H](C(=O)NCCc1ccccc1F)C(C)C 32914186 LFYQHMWBFJLLAA-AWEZNQCLSA-N 310.369 2.255 0 40 DEAB Cc1cc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)no1 46852712 CYLPKWIPWHBYDM-UHFFFAOYSA-N 315.251 2.249 0 40 DEAB C[C@H](OC(=O)c1c(-n2cccc2)sc2c1CCCC2)C(N)=O 22218635 WKRFXXKILJRHHM-JTQLQIEISA-N 318.398 2.448 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(N)s2)cc1 8327384 ZDHPOCPDRZFRTJ-SSDOTTSWSA-N 310.404 2.248 0 40 DEAB CN(C)CCN(CCc1ccccc1)C(=O)Nc1nncs1 47497685 VWOHCKJAEGPIAX-UHFFFAOYSA-N 319.434 2.176 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101705790 MZDWTFWXEOQWIQ-CYDGBPFRSA-N 307.733 2.241 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2sccc2C(N)=O)C1 104026044 LPKRZLVDIHWHMX-OUAUKWLOSA-N 309.435 2.152 0 40 DEAB CS(=O)(=O)NC1CCN(Cc2cccc3ccccc23)CC1 54146190 TYDWFPQSRYVKIO-UHFFFAOYSA-N 318.442 2.353 0 40 DEAB CC(C)NCCc1nc(-c2ccc(S(C)(=O)=O)cc2)c[nH]1 37619001 TXXJHCAISGCVAS-UHFFFAOYSA-N 307.419 2.021 0 40 DEAB in-vitro CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCC[C@@H](C)C2)c1 9745595 RWHPAQRVYZTOQA-LLVKDONJSA-N 317.389 2.476 0 40 DEAB CS(=O)(=O)c1ccc(N2CCc3ccccc3C2)cc1N 42783752 XXNNNQPJHAMRSM-UHFFFAOYSA-N 302.399 2.235 0 40 DEAB O=C(NCCc1nccs1)c1ccc2c(c1)N=C(O)CO2 50451891 QEOMFLZXCFOYOE-UHFFFAOYSA-N 303.343 2.096 0 40 DEAB NC(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ccn1 97162919 YVSJEJGSVFGHNK-QPJJXVBHSA-N 322.412 2.016 0 40 DEAB Cc1nc(COc2ccc(C(=O)N[C@H](C)C3CC3)cc2)no1 25594820 KOOGEHDEZZEMOR-SNVBAGLBSA-N 301.346 2.485 0 40 DEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)Nc1cccs1 170284929 HQWNFUDGDFZKSU-LLVKDONJSA-N 320.370 2.374 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 62119322 BRQVKLLLFXBKLB-MRVPVSSYSA-N 305.227 2.391 0 40 DEAB NC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3318501 KUHFLDCKQOATRY-UHFFFAOYSA-N 318.373 2.238 0 40 DEAB C[C@@H](CNC(=O)Nc1nc2ccccc2s1)N1CCOCC1 27349085 NBCRNGHCWAQNTC-NSHDSACASA-N 320.418 2.139 0 40 DEAB O=C(COC(=O)c1ccc(O)cc1)c1ccc2c(c1)OCCO2 3317715 IFOGZBGBDMQBQC-UHFFFAOYSA-N 314.293 2.203 0 40 DEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)/C=C/c1cnn(C)c1 44872920 ZRNOMRXSXKHVOK-CMDGGOBGSA-N 321.384 2.278 0 40 DEAB O=C(CN1C(=O)c2ccccc2CS1(=O)=O)C1CCCCC1 69414436 RAZIEZPZDJIESD-UHFFFAOYSA-N 321.398 2.122 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)CNC(=O)NCc1ccco1 44979665 DJRIPDOGGVIDKW-GFCCVEGCSA-N 313.357 2.057 0 40 DEAB CCCCNC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 36112578 RLLQMFXYNYBCJZ-UHFFFAOYSA-N 324.446 2.391 0 40 DEAB COC[C@@H](C)NC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C 58443166 ILASETDDNZHVAU-LLVKDONJSA-N 324.377 2.417 0 40 DEAB O=C1CSc2sc3c(=O)n(-c4ccccc4)cnc3c2N1 28405351 GSXXTDXTLWPSTG-UHFFFAOYSA-N 315.379 2.491 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc(N2CCCC2)nc1 36764855 JAFMQEGTWPPWAK-UHFFFAOYSA-N 300.362 2.468 0 40 DEAB O=C(O)CCC(=O)c1ccccc1I 2579878 VKSQADFTANGJKC-UHFFFAOYSA-N 304.083 2.339 0 40 DEAB Cc1ccccc1[C@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1 12853689 WRAULSQMNUGEJC-LBPRGKRZSA-N 318.398 2.133 0 40 DEAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(N)=O 3505929 MZFUFTHJQGMASW-SNVBAGLBSA-N 314.370 2.493 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)COC(=O)C=C1CCCCC1 64132160 IGVGEJTYIZATHE-UHFFFAOYSA-N 305.378 2.409 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC=C(c2ccccc2)CC1 8777711 WMIGVSAYVOUNSN-ZDUSSCGKSA-N 324.432 2.370 0 40 DEAB CC(C)[C@H]1C(O)=Nc2ccccc2N1C(=O)NCCC(=O)O 8766921 VGXUSOFJIGWBMO-ZDUSSCGKSA-N 305.334 2.304 0 40 DEAB CC(C)NC(=O)CCNC(=O)c1ccc(Br)cc1 5171585 PDYGCFKBCLQPNY-UHFFFAOYSA-N 313.195 2.094 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)c2ccccc2Cl)cn1 4985575 FMEYPOGKBDZTLX-UHFFFAOYSA-N 317.776 2.203 0 40 DEAB Cc1cnc(N(C)Cc2n[nH]c3c2CCCC3)nc1N(C)C 67894297 XSCDAQOTDRDKKC-UHFFFAOYSA-N 300.410 2.089 0 40 DEAB COc1ccc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 7943385 VVDKWXIQPSXJTB-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB CC(C)NC(=O)CNC(=O)CSCc1cccc(Cl)c1 8167243 NMABYANXHZXAKR-UHFFFAOYSA-N 314.838 2.214 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)CCN(C)C)cc1 72309875 NFQXKYHIFIZKEA-CYBMUJFWSA-N 320.437 2.240 0 40 DEAB C[C@H](Nc1cccc(C(N)=O)c1)C(=O)N(C)Cc1ccccc1 9315050 MEQZJOBJQOTWPG-ZDUSSCGKSA-N 311.385 2.245 0 40 DEAB Brc1cnc(N2CCOCC2)c(Br)c1 71789049 FFPQAQCDPWWXTJ-UHFFFAOYSA-N 322.000 2.443 0 40 DEAB in-vitro CC(C)(C)OC(=O)N1CCC[C@@H](N[C@@H]2CCCn3ncnc32)C1 96499615 QHPXBZTTZCDKRB-CHWSQXEVSA-N 321.425 2.102 0 40 DEAB CC(C)(CO)CCCNC(=O)CCc1nc(C(C)(C)C)no1 84325097 FAVRGKMDLUEGKU-UHFFFAOYSA-N 311.426 2.215 0 40 DEAB CCN(C(=O)CN1CCc2c(ncn2C)C1)C1=CCCCC1 71878948 FAAPXBDVFHUVLQ-UHFFFAOYSA-N 302.422 2.085 0 40 DEAB C[C@@H]1CN(C2CCN(c3ncnc4ccsc34)CC2)CCO1 71821707 BPTMXSBTOXDBCM-GFCCVEGCSA-N 318.446 2.381 0 40 DEAB Cc1c(C(=O)NCC(C)(C)C(=O)O)cnn1-c1ccccc1 97018903 VGOKXXDZCZBLQI-UHFFFAOYSA-N 301.346 2.021 0 40 DEAB COc1cccc2c1CCN(C(=O)NCC[C@H]1CCCO1)C2 97082899 JNQIIWSGESVENY-CQSZACIVSA-N 304.390 2.332 0 40 DEAB CC(C)CCN1CCC(CNC(=O)N2CCOC[C@H]2C)CC1 84715346 FFZNVXXWLWTAAR-OAHLLOKOSA-N 311.470 2.175 0 40 DEAB CCC(C)(C)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1 95435291 HUDJNXXWBNUKOG-LSDHHAIUSA-N 318.417 2.137 0 40 DEAB C[C@@H]1C[C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)CCO1 95455670 HIZFJXAECQVCJW-HTQZYQBOSA-N 301.272 2.123 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCCC2(C1)OCCO2 95443533 YZCLNSDJLYRGKV-CHWSQXEVSA-N 323.339 2.434 0 40 DEAB C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@]2(CNC(=O)C2)C1 98018671 COIZLMLGQVBGIE-FHLIRTJZSA-N 316.376 2.358 0 40 DEAB Cc1nc(NC(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)oc1C 95955716 HGAQICKDUMKEOK-OKILXGFUSA-N 323.393 2.483 0 40 DEAB COc1ccc(CNC(=O)N2CCOC[C@@H]2C2CC2)c(C)c1 95976576 LVPQHQKIRCTBST-MRXNPFEDSA-N 304.390 2.324 0 40 DEAB CN(C)c1cc2c(nn1)CCN(C(=O)c1ccc3c(c1)CCC3)C2 75129078 OXDYOYBRFQIGRZ-UHFFFAOYSA-N 322.412 2.230 0 40 DEAB O=C(Cn1ccnn1)NC1(c2ccc(F)cc2F)CCCC1 89854633 VXBIFEPRTSAZJK-UHFFFAOYSA-N 306.316 2.142 0 40 DEAB O=C(NCc1ccc(=O)[nH]c1)[C@@H]1C[C@]12CCCc1ccccc12 89858213 OFBMCNBTSHBKGQ-LPHOPBHVSA-N 308.381 2.285 0 40 DEAB C[C@]1(CNC(=O)NCCc2cn3ccccc3n2)CCCS1 89919378 NKEIWOSUSNLRMC-MRXNPFEDSA-N 318.446 2.462 0 40 DEAB CCCCNS(=O)(=O)c1ccc(NCCC)c(C(=O)O)c1 217548592 ZJQXYVLRGRYWGA-UHFFFAOYSA-N 314.407 2.285 0 40 DEAB Cc1sc(=O)n(CCC(=O)NCc2ccc(O)c(F)c2)c1C 77615982 UNZWUTQBRNZSQN-UHFFFAOYSA-N 324.377 2.078 0 40 DEAB CC(C)Cc1nc(NC(=O)Cc2ccc3c(c2)OCC3)n[nH]1 79476555 DXEOAIMFEHSMSA-UHFFFAOYSA-N 300.362 2.119 0 40 DEAB Cc1n[nH]c(NC(=O)c2nccnc2C(=O)O)c1-c1ccccc1 71279180 BEXZATVDFKSAJR-UHFFFAOYSA-N 323.312 2.126 0 40 DEAB Cc1ccncc1C(=O)N1C[C@H](c2ccccc2)[C@@H](C(=O)O)C1 564978926 QBQLSXSYAJRDFY-CVEARBPZSA-N 310.353 2.330 0 40 DEAB C[C@H](NC(=O)CN[C@@](C)(CO)C1CCCCC1)c1ccco1 77656242 WBIBFGOIIQSOQG-GUYCJALGSA-N 308.422 2.378 0 40 DEAB O=C(OC[C@@H]1CCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 78446350 ZIXMFIOCXWBJHP-UONOGXRCSA-N 308.399 2.084 0 40 DEAB O=C(NCCn1cccc1)c1ccc(O[C@H]2CCSC2)nc1 225716322 UNMLFBHTDVXREL-AWEZNQCLSA-N 317.414 2.197 0 40 DEAB O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 524741997 PGTVRCJFXZWESI-NWANDNLSSA-N 316.401 2.207 0 40 DEAB Cc1nnsc1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 40714705 RFYJQQDRFPKCCK-UHFFFAOYSA-N 321.406 2.373 0 40 DEAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)CN1CCCOC1=O 84605827 OYGMUKRWCGXBBG-LLVKDONJSA-N 306.337 2.114 0 40 DEAB CCn1ncnc1CSc1nnnn1-c1ccc(C)c(C)c1 195426210 CQCVUSBDUSEGQF-UHFFFAOYSA-N 315.406 2.183 0 40 DEAB Cc1cc(O)nc(CNC(=O)c2ccc(Cn3cccc3)cc2)n1 1583383538 VUNNHOHLFGDMNK-UHFFFAOYSA-N 322.368 2.270 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)nc1)C(=O)NC1CCCCC1 40284513 PAOCRPMMTZUJDF-UHFFFAOYSA-N 315.295 2.488 0 40 DEAB COc1cccc(-c2ccc(N3CCC(C(=O)O)CC3)nn2)c1 49455619 KKDKFFAIIQZUMZ-UHFFFAOYSA-N 313.357 2.453 0 40 DEAB C[C@@H](NC(=O)c1cc(N2CCOCC2)on1)c1ccccc1 224071661 XDIBTRHZVKNHLS-GFCCVEGCSA-N 301.346 2.002 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)O[C@@H](C)Cn2cccn2)c1 83796132 HHYIDAOUAUBYLS-JTQLQIEISA-N 305.309 2.226 0 40 DEAB COc1ccc(-c2nnc(SCCC(=O)O)[nH]2)cc1OC 224972536 MGGHFMDEEWPKKL-UHFFFAOYSA-N 309.347 2.056 0 40 DEAB Cc1cc(S(=O)(=O)CCn2cccn2)nc2ccccc12 195070167 NTMLBRXGXXBULE-UHFFFAOYSA-N 301.371 2.214 0 40 DEAB CN(CC(=O)NC1CC1)Cc1ccc(OC(F)(F)F)cc1 43594992 KNMOBBWYFIYSLK-UHFFFAOYSA-N 302.296 2.296 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1ccc(Br)cn1)C(=O)O 61860261 JFGSJJFBBCYZNS-XVKPBYJWSA-N 315.167 2.073 0 40 DEAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)o1 223602243 ZKLHKDPULGGNSA-CABCVRRESA-N 317.414 2.338 0 40 DEAB COC(=O)CCn1cc(CN2CCOCC2)c2ccccc21 95215904 WMHYCXMEFRNTHE-UHFFFAOYSA-N 302.374 2.037 0 40 DEAB CS(=O)(=O)[C@@](Cl)(Br)C(=O)c1ccccc1 96518141 DVUNLTZIUCOMBI-SECBINFHSA-N 311.584 2.201 0 40 DEAB Cc1cc(S(=O)(=O)N(CC(=O)O)CC2CC2)sc1Cl 231806661 DENHBYGRAHPTGQ-UHFFFAOYSA-N 323.823 2.195 0 40 DEAB CCc1ncnc2c1CCN(Cc1ccc3c(c1)OCO3)CC2 96255019 CRCRZOJKHYLZMY-UHFFFAOYSA-N 311.385 2.369 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]21 95829961 BZGOJFCMZWZKKA-DTWKUNHWSA-N 308.300 2.017 0 40 DEAB CCC1(CC)[C@H](NC(=O)N(C)CC2CC(O)C2)[C@@H](C)[C@H]1OC 249135734 WUJZHEZIWHZPMG-BZTHDZJNSA-N 312.454 2.238 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ccncn1 257307169 SXMKKQGEILYOQU-HNNXBMFYSA-N 301.321 2.358 0 40 DEAB CCOC(=O)C(=O)Nc1ccc(Br)cc1S 521824910 LOZJWGPLMWKYEI-UHFFFAOYSA-N 304.165 2.239 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCC[C@H](Cc2ccn[nH]2)C1 257314047 UVDDDLWETFTGRT-GFCCVEGCSA-N 314.389 2.371 0 40 DEAB CCn1ncc(CNCc2cc(C(F)(F)F)n(C)n2)c1F 256054010 UPOOONBELZVNKK-UHFFFAOYSA-N 305.279 2.084 0 40 DEAB CCCC(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575405701 UHDZKHVFOCCUSP-AWEZNQCLSA-N 306.431 2.485 0 40 DEAB Cc1ccc(CC(=O)N2CCC3(CCC(=O)NC3)CC2)cc1 585102294 WPTXWTAGGOZISB-UHFFFAOYSA-N 300.402 2.056 0 40 DEAB COC[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 56921902 GEZCPJKJTIDZKH-SNVBAGLBSA-N 313.195 2.343 0 40 DEAB Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@@H](C(N)=O)C3)oc12 56412772 DBFSWUJPUDVPDX-GFCCVEGCSA-N 300.358 2.305 0 40 DEAB COC(=O)c1cccc(C(=O)NCc2cc3ccccc3[nH]2)n1 58903658 SNPWTBZAZFQSGB-UHFFFAOYSA-N 309.325 2.280 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)CSc2cn[nH]n2)cc1 97227682 HJMUQRJCKQQJKL-CYBMUJFWSA-N 318.402 2.269 0 40 DEAB COCCCNC(=O)c1nc(-c2ccc(OC(C)C)cc2)no1 12391406 UHQUISHCDUSIFW-UHFFFAOYSA-N 319.361 2.290 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)o1 16235702 MHLCQFNDDUPLOL-CFLAWFISSA-N 304.390 2.447 0 40 DEAB Cc1cccnc1CN1CCN(C[C@H](O)c2cccs2)CC1 19237818 CXXASNCVJLYKFS-INIZCTEOSA-N 317.458 2.303 0 40 DEAB O=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)c1cccnc1)C2 19375214 HIJLOWDSGAZMOB-IBGZPJMESA-N 321.380 2.043 0 40 DEAB CCOc1cccc2c1OCC(C(=O)N1CCSCC1)=C2 40122313 JVPRNRZCAFVHGC-UHFFFAOYSA-N 305.399 2.437 0 40 DEAB CC(C)(C)c1cc(NC(=O)CS(=O)(=O)c2ccccc2)on1 40539969 MISVYEPVFVSJKL-UHFFFAOYSA-N 322.386 2.385 0 40 DEAB CCCO[C@@]1(C(F)(F)F)NC(=O)N(c2ccccc2)C1=O 4653990 LQZMQCANOHMIOQ-LBPRGKRZSA-N 302.252 2.428 0 40 DEAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](Oc2cnccn2)C1 225794546 JJEWHTCFIOCFLI-AWEZNQCLSA-N 308.341 2.251 0 40 DEAB C[C@H]1CN(c2nc3ccccc3o2)CCN1Cc1cnn(C)c1 2298060320 IIBSMFZTIZDSOZ-ZDUSSCGKSA-N 311.389 2.272 0 40 DEAB C[C@@H](CNC(=O)c1csc2c1CC[C@@H](C)C2)N1CCOCC1 40074473 MWKMHEIDBGHNNF-OLZOCXBDSA-N 322.474 2.323 0 40 DEAB COc1ccc2c(c1)C(=O)[C@H]([C@]1(O)C(=O)Nc3ccccc31)CC2 70336 SISBGYPFGBWATJ-BEFAXECRSA-N 323.348 2.280 0 40 DEAB C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCc2ccccc21 100698256 MELFEFLZAXHIKK-BFJAYTPKSA-N 310.397 2.293 0 40 DEAB COc1ccc(C(=O)Oc2ccc3c(c2)OCC3=O)cc1OC 145985 MAWVYSFHOWBPKU-UHFFFAOYSA-N 314.293 2.498 0 40 DEAB COC(=O)CCN1C(=O)[C@@H](C)N(c2ccc(Cl)cc2)C1=O 32385496 HZOWIBAWCJYVBW-SECBINFHSA-N 310.737 2.060 0 40 DEAB CC(=O)OCc1c(C)cc(C)c(COC(C)=O)c1OC(C)=O 345445 BJCFQTNTWVTDMM-UHFFFAOYSA-N 308.330 2.355 0 40 DEAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1CC(=O)N(C2CC2)C1 29609682 PVDOORZYPJFTEG-JTQLQIEISA-N 319.430 2.361 0 40 DEAB CSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 211312 QNAODGDPGUMDCF-UHFFFAOYSA-N 319.411 2.323 0 40 DEAB Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2ccccc12 795932 UFCIZDDVWVLADF-UHFFFAOYSA-N 321.380 2.064 0 40 DEAB CCN(CC)C(=O)c1ccc(NC(=O)c2cnn(C)c2C)cc1 32879640 RIMNHWZKTSGPHV-UHFFFAOYSA-N 314.389 2.463 0 40 DEAB Fc1ccc(N2CCN(Cn3nnc4ccccc43)CC2)cc1 52537406 OHIKBXUXSUVOOZ-UHFFFAOYSA-N 311.364 2.350 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CCC[C@@H]2c2noc(C)n2)n1 76046471 NKEIYGMGFBOTSZ-SNVBAGLBSA-N 307.741 2.107 0 40 DEAB C[C@H](C(=O)N1C[C@@H](C)[C@@H](N2CCOCC2)C1)c1ccsc1 76052734 QDJDAJDRRVFDDG-IPYPFGDCSA-N 308.447 2.031 0 40 DEAB CCSc1ccc(C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cn1 77990329 MHFHAAQIHLZEEK-LBPRGKRZSA-N 320.336 2.333 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)no1 69580650 ZFYRQFLFFFRXST-AWEZNQCLSA-N 313.357 2.018 0 40 DEAB O=c1c2ccc(F)cc2ncn1CC[S@@](=O)c1ccccc1 32933440 KCLSUTRQUNPLRW-QFIPXVFZSA-N 316.357 2.343 0 40 DEAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@](C)(O3)[C@@H]2C1=O 6215982 MGCKEBGGNHVPIC-FOCJUVANSA-N 303.745 2.481 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN(CCO)Cc1ccsc1 69567058 KUOSTMWLWKFXIJ-ZIAGYGMSSA-N 310.463 2.332 0 40 DEAB CCCCCOc1ccc(NC(=O)C(=O)N[C@H](CC)CO)cc1 6597436 BFPQPVRHQVXULL-CYBMUJFWSA-N 322.405 2.081 0 40 DEAB C=Cn1nnc(NC(=O)COc2c(C)cc(C)cc2Cl)n1 10119692 CKWILTUUHQYMAQ-UHFFFAOYSA-N 307.741 2.061 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 507866 DXLLFVXDQQMGGM-UHFFFAOYSA-N 301.321 2.310 0 40 DEAB O=C(NCCc1nc2ccccc2[nH]1)[C@H]1Cc2ccccc2O1 22369427 LAMHZVLHDRBZCI-MRXNPFEDSA-N 307.353 2.225 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)NC(C2CC2)C2CC2)s1 69663479 VFCGCMQYOSILLL-UHFFFAOYSA-N 315.416 2.002 0 40 DEAB O=S(=O)(NCC[C@@H]1CCNC1)c1cccc(Cl)c1Cl 104350324 IQUZOWNWBDPFPT-VIFPVBQESA-N 323.245 2.271 0 40 DEAB CC1CCN(C(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)CC1 20801016 BYNJRORNFGUMLK-UHFFFAOYSA-N 316.401 2.402 0 40 DEAB CCN(CC)CCCNCC(=O)N1CCCc2ccccc21 3295809 QTJVYLARCWMHTN-UHFFFAOYSA-N 303.450 2.287 0 40 DEAB Cc1cccc(OCCSCCN2C(=O)NC(C)(C)C2=O)c1 43731726 OVCXIBBRDKUWMO-UHFFFAOYSA-N 322.430 2.437 0 40 DEAB Cc1nc([C@H]2CCCN2C[C@@H](O)COCc2ccccc2)no1 107495444 XYFCUNPTOIGKHM-HZPDHXFCSA-N 317.389 2.093 0 40 DEAB O=C(O)[C@@H]1CCCN1CCCc1nc(-c2cccs2)no1 35302355 ZWAFVHRRGHRQOC-JTQLQIEISA-N 307.375 2.280 0 40 DEAB O=C(COC(=O)Cc1cccs1)Nc1ccc2c(c1)OCO2 3235022 OSMROUINGAHGRI-UHFFFAOYSA-N 319.338 2.201 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H]3O[C@H](COCC(C)C)CC[C@@H]32)no1 107204874 CQNCGRXFDFHHHW-BPUTZDHNSA-N 322.405 2.418 0 40 DEAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H](N2CCNC2=O)C1 58174073 ZXZRNCIUAHLYKH-CYBMUJFWSA-N 322.796 2.362 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCCO1 44945800 NALUFLMTHDOJHK-ZDUSSCGKSA-N 301.346 2.320 0 40 DEAB CC(C)NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 22273225 BPVMOYUDIFCCNL-UHFFFAOYSA-N 312.435 2.101 0 40 DEAB CC[C@H](O)CN(CC(=O)NCc1ccco1)c1ccccc1 58331835 GVIVXKYJPMFNOE-HNNXBMFYSA-N 302.374 2.173 0 40 DEAB COc1c(C)c2c(c3c1C[C@H]([C@@]1(C)CCC(=O)O1)O3)C(=O)OC2 67665246 NUOKDRKAQMMGFH-PIGZYNQJSA-N 318.325 2.073 0 40 DEAB in-vitro Cc1noc(CSc2nnnn2-c2cccc(C)c2C)n1 12752618 HWSOSBSREIWPGN-UHFFFAOYSA-N 302.363 2.263 0 40 DEAB Cc1cc(C)nc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2)c1 97143014 CMWHYGMLVWNTNL-MRXNPFEDSA-N 324.384 2.403 0 40 DEAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(N2CCCC2=O)cc1 28881026 XOPGJVVXLGTMNO-CYBMUJFWSA-N 303.406 2.386 0 40 DEAB Cc1noc([C@@H]2COCCN2C(=O)c2coc3ccccc23)n1 97108817 VVNMJXOBBMQCCA-ZDUSSCGKSA-N 313.313 2.338 0 40 DEAB COCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)N(C)CC2 97108849 RHONASLNMBAKFI-UHFFFAOYSA-N 316.323 2.330 0 40 DEAB CC1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 3583255 WUYYBKFZCDELKL-UHFFFAOYSA-N 315.417 2.249 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2cccc(O)c2)c1 3511147 SZZQGUPBURYYML-UHFFFAOYSA-N 301.298 2.196 0 40 DEAB CC[C@H](NC(=O)Cn1ccccc1=O)c1ccc(OC)cc1 69712798 RPIXJMKZNYOZHA-HNNXBMFYSA-N 300.358 2.124 0 40 DEAB O=C(Nc1ccc(Cl)cc1)N1CCN(C(=O)C2CC2)CC1 18175956 UEXBQSLFTPQZTQ-UHFFFAOYSA-N 307.781 2.426 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2cn3ccccc3n2)C1 69902014 YJROSWHETZJXKP-MRXNPFEDSA-N 323.400 2.245 0 40 DEAB C[C@@]1(O)CCCN(S(=O)(=O)c2c(F)cccc2Cl)C1 97147229 LCHDDQJLBIBPNN-GFCCVEGCSA-N 307.774 2.015 0 40 DEAB COc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1 4032877 WLSOPMPCBRDOBS-UHFFFAOYSA-N 312.325 2.102 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)Cn1cncn1)c1nc2ccccc2[nH]1 65615217 MQCYNPPUWUZWRP-IAQYHMDHSA-N 312.377 2.058 0 40 DEAB COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)c(OC)c1 4551750 HLYTZHDSISMIOG-UHFFFAOYSA-N 300.314 2.055 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(O)cc1 4689665 YAAOFDRMKFUPRX-GHMZBOCLSA-N 308.378 2.483 0 40 DEAB Cc1sc(CCNC(=O)c2cnn[nH]2)nc1-c1ccccc1 96449582 HWZCLXPRJJJUNM-UHFFFAOYSA-N 313.386 2.209 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@H](n3ccnc3)C2)n1 70018002 DDJXFXDBPBUTRX-ZDUSSCGKSA-N 317.393 2.186 0 40 DEAB O=C(Nc1cc(O)nc2nc(C(F)(F)F)nn12)c1ccccc1 17028003 CEZRXOCHUZWZSI-UHFFFAOYSA-N 323.234 2.101 0 40 DEAB Clc1cc(CN2CC(n3cccn3)C2)cc2c1OCCO2 71879113 MUDKLACRMUCLEA-UHFFFAOYSA-N 305.765 2.365 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1 97009766 AEEPSEIBGURQGS-CYBMUJFWSA-N 300.314 2.421 0 40 DEAB Cc1cc(N[C@H]2CCCN(c3ccccc3)C2=O)n2ncnc2n1 95397224 BRNNZXHTHHEZGH-AWEZNQCLSA-N 322.372 2.040 0 40 DEAB NS(=O)(=O)N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95978079 XLCISITUILBJIW-QMMMGPOBSA-N 302.705 2.127 0 40 DEAB C[C@H](COc1cccc(F)c1)NC(=O)N(C)C[C@H]1CCC[C@@H]1O 95974438 AZCUTKZPTHSESS-IOASZLSFSA-N 324.396 2.395 0 40 DEAB Cc1ccc(NC(=O)CN(C)C2(CCO)CCOCC2)c(C)c1 95995986 HJUQKUOBWOBYCW-UHFFFAOYSA-N 320.433 2.105 0 40 DEAB Cc1nc(C)n(C[C@@H]2CN(CCCc3ccccc3)CCO2)n1 75132133 OBTUXNCHJCBVDI-SFHVURJKSA-N 314.433 2.229 0 40 DEAB O=C([C@H]1COCCO1)N1CCCCC[C@H]1Cc1cccs1 89799992 WEHOCAUBONSVTH-DZGCQCFKSA-N 309.431 2.477 0 40 DEAB O=C(CSc1cn[nH]n1)Nc1nc(-c2ccco2)cs1 89797952 WSLRJILRGSFIHK-UHFFFAOYSA-N 307.360 2.252 0 40 DEAB CCNC(=O)N1CC[C@@H](NC(=O)N2C[C@@H](C)c3ccccc32)C1 89977435 AGYXUZXZRQDYGH-CHWSQXEVSA-N 316.405 2.124 0 40 DEAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1csnn1 75602311 BFRSSQCHSGHIMF-VIFPVBQESA-N 311.798 2.211 0 40 DEAB COc1ccccc1N1CCN(c2cc(Cl)nc(N)n2)CC1 32779069 ZSPXHIUVYNYAIB-UHFFFAOYSA-N 319.796 2.047 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 409122952 CZROQRGERVNXHJ-XYOKQWHBSA-N 309.343 2.084 0 40 DEAB Cc1nc(SCc2cccc(Cl)c2)[nH]c(=O)c1CC(N)=O 35596851 CFKMGBYERINNLY-UHFFFAOYSA-N 323.805 2.052 0 40 DEAB CCC[C@@H]1[C@@H](C)CCCN1Cc1nc(CS(C)(=O)=O)no1 72776066 SMGKXHPAWNWVJC-NWDGAFQWSA-N 315.439 2.015 0 40 DEAB CC(C)N(CCO)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391699 IWNADRRBQYAASW-INIZCTEOSA-N 306.406 2.100 0 40 DEAB CCc1ccc(NC(=O)C(=O)NC[C@H](O)C2CCCCC2)cc1 69970019 PQOXWROBWQMJTD-INIZCTEOSA-N 318.417 2.245 0 40 DEAB COc1ccc2c3c(cccc13)C(=O)N(CCCC(=O)O)C2=O 2362797602 QVQWDZIKEDTVML-UHFFFAOYSA-N 313.309 2.309 0 40 DEAB O=C(NCc1ccc(F)cc1)c1ccc(N2CCCC2)nn1 75172545 OXWSBHCNGOTYDF-UHFFFAOYSA-N 300.337 2.146 0 40 DEAB COc1ccc([C@@H]2[C@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218113587 NJLMFCVZIITXAR-IXDOHACOSA-N 317.410 2.271 0 40 DEAB CC[C@@H]1CN(CC)CCN1C(=O)c1cc(-c2ccoc2)[nH]n1 566545973 CRULTGMHKOGWFW-CYBMUJFWSA-N 302.378 2.226 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N(C)Cc1ccc(F)cc1Cl 78656244 OUIYKPDTCLASRK-AWEZNQCLSA-N 312.772 2.448 0 40 DEAB CCCNC(=O)N(C)Cc1nc(-c2cccc(OC)c2)no1 225775967 PLUCJCWCQWFTRI-UHFFFAOYSA-N 304.350 2.297 0 40 DEAB CC(=O)c1cn(CCC(=O)NCCCC(=O)O)c2ccccc12 40309926 MWGDAYRVZNGXKJ-UHFFFAOYSA-N 316.357 2.215 0 40 DEAB biogenic COC(=O)CSc1nnc(NC(=O)c2cccs2)s1 224292378 XRTXIQYCCCTMMO-UHFFFAOYSA-N 315.401 2.117 0 40 DEAB C[C@H]1CN(C(=O)C[C@H](CC(=O)O)c2cccs2)C[C@@H](C)O1 223125323 LPIKQIJUIMAKEN-GRYCIOLGSA-N 311.403 2.332 0 40 DEAB Cc1cccc(CCC(=O)N2CC[C@@H](Oc3cnccn3)C2)c1 225795577 BMQZYWJWMMEQMZ-MRXNPFEDSA-N 311.385 2.398 0 40 DEAB CC1CCN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CC1 225475065 WMTFKEYOBJMWOA-SFHVURJKSA-N 315.461 2.287 0 40 DEAB CN(C)CCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 199799165 BUFXWRGLGPXFFI-UHFFFAOYSA-N 310.764 2.381 0 40 DEAB CCc1nn(C)cc1CNC(=O)N1CC(C)(C)OC(C)(C)C1 195574926 SVLJRHVDJVTANP-UHFFFAOYSA-N 308.426 2.082 0 40 DEAB O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(C(=O)c1ccccc1)C2 225477821 LWZNOXDAMHBNPT-ZFWWWQNUSA-N 308.337 2.301 0 40 DEAB biogenic,in-vitro Cc1ccc(N2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)cc1 96077395 NVXSNWZDACFXQS-QGZVFWFLSA-N 301.390 2.105 0 40 DEAB CN(C)CCNC(=O)c1cnc(-c2noc3ccccc23)s1 96266570 XYHCLXHEZHFGQH-UHFFFAOYSA-N 316.386 2.243 0 40 DEAB Cc1cncc(C(=O)NC2CCN(C(=O)NC(C)(C)C)CC2)c1 96494449 LYBVUIXJNDPBRF-UHFFFAOYSA-N 318.421 2.092 0 40 DEAB O=C(CC1CCCC1)N[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1C1CC1 91416587 GURPOJLFKQFYSB-SJORKVTESA-N 316.449 2.317 0 40 DEAB CCO[C@H]1C[C@H](N(C)C(=O)CCN2CCCC2=O)C12CCCC2 96419220 VHLNCZMWWYWDJT-GJZGRUSLSA-N 322.449 2.195 0 40 DEAB c1ccc(O[C@@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 96107649 VQEDGFSHZGMSEL-RDJZCZTQSA-N 300.358 2.487 0 40 DEAB Cc1ccc(C)c(N2CCN(C(=O)c3nc(C)ns3)CC2)c1 96098489 ZSOGDSVEMNBRLV-UHFFFAOYSA-N 316.430 2.426 0 40 DEAB CN(C(=O)COc1cccc(-n2cncn2)c1)c1ccccc1 96424110 WGSJTOBMQJURHX-UHFFFAOYSA-N 308.341 2.309 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ccoc4C)C[C@H]3O2)n[nH]1 96070642 LRVPYMYTUDSOST-IACUBPJLSA-N 316.361 2.007 0 40 DEAB COc1cc(F)ccc1NS(=O)(=O)C[C@@H](OC)C1CC1 580429929 LEIPPMFRXRSYTN-CYBMUJFWSA-N 303.355 2.001 0 40 DEAB CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 96440615 GQXOAVBOIPLTJW-GARJFASQSA-N 323.359 2.274 0 40 DEAB c1ccc(N2CC[C@]3(COCCN(Cc4ccncc4)C3)C2)nc1 96062479 QXWAHKREBZECCC-LJQANCHMSA-N 324.428 2.206 0 40 DEAB COC[C@@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247890032 SXXXAVIATIOSIX-AWEZNQCLSA-N 311.341 2.473 0 40 DEAB CCO[C@H]1CSC2(C1)CN(C(=O)c1cc(C3CC3)on1)C2 248378261 JAJMGDICHVRGDD-LLVKDONJSA-N 308.403 2.289 0 40 DEAB CN1CCC[C@@H]1CCN1CCOC[C@H]1CC(=O)c1ccccc1 248668277 ADLYBIRYGBHAFO-QZTJIDSGSA-N 316.445 2.445 0 40 DEAB CC(=O)N1CC[C@H](Cc2cc(-c3ccnn3C(C)C)ncn2)C1 257231789 GIFZZPZHLMJACM-CQSZACIVSA-N 313.405 2.332 0 40 DEAB COc1ccc([C@H]2CN(C(=O)c3cc(C)on3)CCN2C)cc1 257307558 SZFBNVFTLBMHPU-MRXNPFEDSA-N 315.373 2.121 0 40 DEAB CNc1cc([C@H]2CCCN2Cc2cnn(C)c2C)nc(C)n1 257293877 QRONVPCSMLHBDQ-OAHLLOKOSA-N 300.410 2.206 0 40 DEAB Cc1nc2ccc(C(=O)N3CCC[C@H](CC(=O)O)C3)cc2[nH]1 257298882 RNQFOFFHTCUVBV-LLVKDONJSA-N 301.346 2.198 0 40 DEAB COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3ccc(F)cc3)n2C1 601044427 NBQCQWFEFXDPHX-GHMZBOCLSA-N 319.336 2.293 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cnco1 257294142 QSSXUHAERPLFPF-PWXKEOIMSA-N 317.389 2.069 0 40 DEAB CC(C)CC(=O)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575404999 QXYWIWJMJGORPR-INIZCTEOSA-N 318.417 2.404 0 40 DEAB COC[C@@H]1CN(C)CC12CCN(Cc1cccc(C)n1)CC2 585103452 PEGPXURIHNHILS-INIZCTEOSA-N 303.450 2.180 0 40 DEAB COc1ccccc1OCC(=O)N1CCCN(C2CCC2)CC1 824828098 UQRWGBYKJATFNG-UHFFFAOYSA-N 318.417 2.161 0 40 DEAB COc1ccc(C(=O)n2c(=O)n(C(C)C)c3ncccc32)cc1 12117829 VDSYHHBFFKXVRP-UHFFFAOYSA-N 311.341 2.476 0 40 DEAB O=S1(=O)C=C(Cl)[C@@H](SC2Nc3ccccc3N2)C1 12139647 VCZGMZKBQCVGJP-JTQLQIEISA-N 302.808 2.418 0 40 DEAB CC(C)c1cc(C(=O)NCCN2CCc3ccccc32)n(C)n1 12148422 SALWWFIJPMYJAL-UHFFFAOYSA-N 312.417 2.336 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccc(CC(=O)O)cc2)cc1 13058942 IJXFEKSDNAGRHQ-UHFFFAOYSA-N 305.355 2.423 0 40 DEAB O=c1oc2ccccc2n1[C@@H]1CCCN(CC2=COCCO2)C1 19376622 VUIJCQLOGBGUJN-CYBMUJFWSA-N 316.357 2.120 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(Cc3cncn3C)C2)c1 643913532 ATHAOLUNDVOJFF-GOSISDBHSA-N 315.417 2.134 0 40 DEAB COc1cccc(C(=O)NCc2ccc(C(=O)O)cc2)c1OC 13166231 LVGBKQBARMUCST-UHFFFAOYSA-N 315.325 2.332 0 40 DEAB Cc1ccnc(N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888844057 FGNJOSBNEKUSPA-HUUCEWRRSA-N 322.416 2.025 0 40 DEAB O=C(CCCn1c(=O)oc2ccccc21)NCc1cccnc1 22927695 CQDNCQXEZSIXCO-UHFFFAOYSA-N 311.341 2.086 0 40 DEAB CCOc1ncccc1C(=O)Nc1cccc(C(=O)N(C)C)c1 25545751 VHXVTLBPFLZZAW-UHFFFAOYSA-N 313.357 2.434 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1F 30338920 PZVVOAMZKUGTNH-JTQLQIEISA-N 313.350 2.337 0 40 DEAB C[C@@H](OCc1ccccc1)C(=O)NC1CCN(C2CC2)CC1 30687926 UTXIDHXEEUTXHZ-CQSZACIVSA-N 302.418 2.335 0 40 DEAB Cc1cc(C(=O)N2CCC(O)(COc3ccccc3)CC2)no1 2037909138 YARSRJZJUNUTGQ-UHFFFAOYSA-N 316.357 2.029 0 40 DEAB Cc1cccnc1C(=O)N1CC2(C[C@@H](NC3CCC3)CS2)C1 2056223572 SWEJZZPFHVBFPV-CQSZACIVSA-N 317.458 2.232 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1 179556 SOGBIJKBEWMBIY-UHFFFAOYSA-N 307.371 2.182 0 40 DEAB O=C1[C@@H]2[C@@H](N=NN2Cc2ccccc2F)C(=O)N1c1ccccc1 101167607 PRAVLKKYGBQKRR-CABCVRRESA-N 324.315 2.319 0 40 DEAB Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101420248 FFCDJPNNTYBAHH-MGBSGCIJSA-N 324.380 2.131 0 40 DEAB O=C(CN1CCc2ccccc21)Nc1cc(C(=O)O)ccc1O 21020613 YQDABNFNLKRYGV-UHFFFAOYSA-N 312.325 2.092 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 428938 KCMMEWHMLQZPBM-NSHDSACASA-N 322.430 2.063 0 40 DEAB COc1ccc(Cl)cc1CN1CCO[C@@H](c2nc(C)n[nH]2)C1 76048537 DBSRWLSVJSMBPJ-CQSZACIVSA-N 322.796 2.349 0 40 DEAB C[C@H]1C[C@@H](C)N(C(=O)CN2C(=O)CSc3ccccc32)C1 76019534 XJKJRAIYIPLORF-NWDGAFQWSA-N 304.415 2.382 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCCC[C@H]1C)C(=O)CO2 1362049 XCSHYYVJTVVTIL-CYBMUJFWSA-N 302.374 2.121 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1 76051368 OMSCPRMMYGWHJG-CYBMUJFWSA-N 303.366 2.062 0 40 DEAB O=C(NC1CC1)N[C@@H]1CCCN(c2ccccc2Cl)C1=O 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318.377 2.449 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(c2nccn(C)c2=O)CC1 266141056 HEICWGVHLXZMPC-UHFFFAOYSA-N 318.808 2.069 0 40 DEAB CCOC(=O)Cn1ncc2c1[C@@H](NC(=O)OC(C)(C)C)CCC2 95884030 AWNUPWIWQAWTQG-LBPRGKRZSA-N 323.393 2.348 0 40 DEAB CC(C)CNC(=O)[C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]1O2 96252919 GWQSZSUWELWJBI-IXDOHACOSA-N 320.408 2.187 0 40 DEAB NC(=O)[C@@H]1CCCN1Cc1c(Cl)cccc1N1CCCC1 97230864 GPMIHMKDRAWHCH-HNNXBMFYSA-N 307.825 2.390 0 40 DEAB Cc1noc(C)c1C(=O)N1C[C@@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96045782 AESLVXFVFBIABI-SDDRHHMPSA-N 319.386 2.350 0 40 DEAB COC(=O)c1cnc2nc(-c3ccccc3)nn2c1/C=C/N(C)C 95115684 BUTCJKBWTWPJNL-MDZDMXLPSA-N 323.356 2.110 0 40 DEAB Cc1cccc2c(NC[C@@H]3CCN(S(C)(=O)=O)C3)ccnc12 95435638 SQAIJGZIRFSFNI-ZDUSSCGKSA-N 319.430 2.237 0 40 DEAB C[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)[C@H]1CCCO1 245343826 VWBFADORYOCZRS-BHYGNILZSA-N 318.417 2.207 0 40 DEAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)CNCCN1CCCC1 245227222 GUFSPRZYMMTPOY-MPGHIAIKSA-N 307.482 2.003 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]3CNCC[C@H]32)[nH]n1 257270324 MTTFTAVSNZTIGF-GXTWGEPZSA-N 304.438 2.311 0 40 DEAB CNc1cncc([C@@H]2CCCN2C(=O)Cc2cccs2)n1 257326900 WZBJSPWJZYDSMZ-ZDUSSCGKSA-N 302.403 2.486 0 40 DEAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1ccc(F)c(F)c1 85558993 ORTVRUSNFODTJK-OAHLLOKOSA-N 319.307 2.363 0 40 DEAB COc1ccccc1C[C@@H](C)NC(=O)c1c(C)nn(C)c1C 55666679 MCOJCDDZGNWDHI-LLVKDONJSA-N 301.390 2.407 0 40 DEAB Cc1nc(N(C)CC(=O)NC(C)C)c2c3c(sc2n1)CCC3 17282034 PVLPTMFYGQVPJV-UHFFFAOYSA-N 318.446 2.449 0 40 DEAB O=C(O)[C@@H](c1ccc(O)cc1)[C@@H](C(=O)O)c1ccc(O)cc1 17299715 NIMYOZMXBOTEAX-KBPBESRZSA-N 302.282 2.134 0 40 DEAB O=C(NCCN1CCOCC1)Nc1cccc(C(F)(F)F)c1 19681255 LIHQPWQOYHZGKQ-UHFFFAOYSA-N 317.311 2.159 0 40 DEAB O=C(NC1CCCC1)NC1CN(c2ncnc3ccsc23)C1 1888857019 OCADJCCENPIPGS-UHFFFAOYSA-N 317.418 2.122 0 40 DEAB CN(C)c1ccc(N2CCN(C/C=C/c3ccccc3)CC2)nn1 1163845681 MFJSQZJNGOBBRR-RMKNXTFCSA-N 323.444 2.378 0 40 DEAB O=C(c1ccsc1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 1565543185 KEVBMSYIWAFPBA-ZBFHGGJFSA-N 313.426 2.490 0 40 DEAB O=C(Nc1ccccn1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4272674 GVJSMBIQEVYGOD-GFCCVEGCSA-N 314.320 2.148 0 40 DEAB CC(=O)Nc1ccc(Nc2nc(=O)c(C(C)(C)C)n[nH]2)cc1 5154520 CNKAENFXMVVNNS-UHFFFAOYSA-N 301.350 2.164 0 40 DEAB Cc1ccc(OS(C)(=O)=O)c(-n2nc3ccccc3n2)c1 28580303 KJBPCEIKNPMSGL-UHFFFAOYSA-N 303.343 2.067 0 40 DEAB CC(C)[C@H](C)NC(=O)NCCNC(=O)c1ccccc1Cl 31104610 ZYRYVIVGZLMQEV-NSHDSACASA-N 311.813 2.414 0 40 DEAB O=C(NCCC(=O)N1CCCC1)c1ccc2c(c1)CCCC2 40464675 STQSYGZXQJMTBP-UHFFFAOYSA-N 300.402 2.308 0 40 DEAB O=C(N[C@@H]1CCCCNC1=O)c1ccc(-c2ccccc2F)o1 40521544 CGCSNRJTRLYAPB-CYBMUJFWSA-N 316.332 2.484 0 40 DEAB CN(C)c1ncccc1CNC(=O)[C@@]1(C)CC1(Cl)Cl 32687916 NPJMUEYXCAILMJ-GFCCVEGCSA-N 302.205 2.348 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccsc1)N1CCOCC1 46263198 UHUYIYIKEJWMGK-DZGCQCFKSA-N 323.462 2.315 0 40 DEAB O=C1N[C@@H]2[C@@H](NC(=O)N2C2CCCCC2)N1C1CCCCC1 280832 ZNASMOHVFBYBMY-KBPBESRZSA-N 306.410 2.354 0 40 DEAB CC[C@@H](C)n1ncc2c(C(=O)NC[C@H](C)N(C)C)cc(C)nc21 69420896 DWKVNDZEDRIHAL-OLZOCXBDSA-N 317.437 2.391 0 40 DEAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1ccccc1O 565157 MQFCTXBWOIXBSL-INIZCTEOSA-N 317.728 2.458 0 40 DEAB C[C@@H](NC(=O)CS(=O)(=O)Cc1ccccc1)c1ccccc1 2735013 LFLCBHYPUZQMEB-CQSZACIVSA-N 317.410 2.479 0 40 DEAB Cn1ncnc1Cn1cnc2cc(-c3ccccc3)sc2c1=O 76065329 UZUMJFBMGVDEOQ-UHFFFAOYSA-N 323.381 2.302 0 40 DEAB COc1ccccc1S(=O)(=O)N[C@@H](C)CCc1cccn1C 76062455 FBDQIMMHWXGGFI-ZDUSSCGKSA-N 322.430 2.333 0 40 DEAB CC(C)n1nnnc1SCC(=O)N1c2ccccc2C[C@@H]1C 1357598 MKANJRQFRNZDMN-NSHDSACASA-N 317.418 2.324 0 40 DEAB O=C(c1ccc[n+]([O-])c1)N1CC[C@@H](Cc2ccc(F)cc2)C1 76652269 MWPIRHZWOYSGCS-AWEZNQCLSA-N 300.333 2.164 0 40 DEAB CCNC(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 78550662 VNHCQSRSRLUAPS-UHFFFAOYSA-N 313.405 2.260 0 40 DEAB CC(C)[C@H](NC(N)=O)C(=O)NCc1cccc(C(F)(F)F)c1 32994803 WVICFEWPABXZMF-NSHDSACASA-N 317.311 2.015 0 40 DEAB CO[C@@H]1CO[C@@H]2[C@@H](NC(=O)Nc3ccc(C(C)C)cc3)CO[C@H]12 4222774 CECCXTMBNNHANG-ZJIFWQFVSA-N 320.389 2.113 0 40 DEAB biogenic,in-vitro CCn1c(SCc2cccnc2)nnc1C1CCNCC1 4931678 XZYPFMYDJSWRMR-UHFFFAOYSA-N 303.435 2.452 0 40 DEAB C[C@H]1Oc2ccccc2N(CC(=O)NCc2ccccc2)C1=O 4970589 QTDKRBVWQMOHOV-CYBMUJFWSA-N 310.353 2.117 0 40 DEAB CCn1c(=O)c2sccc2n(CCOc2ccccc2)c1=O 6679126 WXYQSALXJYIBGP-UHFFFAOYSA-N 316.382 2.324 0 40 DEAB CN(C)CCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 7065190 ZNICEEDEGCIUKR-UHFFFAOYSA-N 320.462 2.052 0 40 DEAB COCCN1CCO[C@H]2CCN(Cc3cccc(F)c3C)C[C@@H]21 108526720 HLFTXMIOZSFDQA-ROUUACIJSA-N 322.424 2.056 0 40 DEAB O=C(c1csnn1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 41619255 SDTGLRINQWGIRJ-GFCCVEGCSA-N 317.370 2.287 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1ccccc1Br 37517835 IJZVSYQXNZDJJD-SFGNSQDASA-N 312.163 2.347 0 40 DEAB Cn1cc(CNCc2ccccc2CO)c(-c2cccnc2)n1 97160049 QUJYRBARNYZUEE-UHFFFAOYSA-N 308.385 2.264 0 40 DEAB COCc1cccc(C(=O)NCCCn2nc(C)cc2C)c1 23246536 RKFWDQCHAXOVKU-UHFFFAOYSA-N 301.390 2.466 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 42512776 DZFHKABGHDQGKJ-SNVBAGLBSA-N 321.764 2.126 0 40 DEAB CCc1cccc(OCC(=O)N[C@H](C)c2nnc3n2CCC3)c1 42536364 YWPDIEODBNCNII-GFCCVEGCSA-N 314.389 2.043 0 40 DEAB CN(c1cccnn1)S(=O)(=O)c1ccc2c(c1)CCCC2 97117255 LVTPOOXHDJNDOV-UHFFFAOYSA-N 303.387 2.181 0 40 DEAB CCn1nc(C)c(CN(CCOC)C(=O)c2ccc[nH]2)c1C 55042476 KPHKFPPKLPGLCN-UHFFFAOYSA-N 304.394 2.137 0 40 DEAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ncn[nH]1 23140742 FVSTVMHRXCMJQG-UHFFFAOYSA-N 311.301 2.010 0 40 DEAB CC[C@H]1C[C@@H](C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)CCO1 97109413 MRFGGMKKTZDEQT-UWVGGRQHSA-N 319.336 2.206 0 40 DEAB Cc1ccccc1[C@H]1CCCN1C(=O)CN1CSCC1=O 55779976 NKFYHSGLAATKNC-CQSZACIVSA-N 304.415 2.191 0 40 DEAB O=C(NCCCOC[C@@H]1CCCO1)N1C[C@@H]2CC=CC[C@H]2C1 107065700 JDMLZYRQEZBTDH-JYJNAYRXSA-N 308.422 2.180 0 40 DEAB Cc1cnc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cn1 25917825 JWGBYHFVIMATIF-ZDUSSCGKSA-N 322.372 2.199 0 40 DEAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cn(C)c(=O)cc1C 72309975 XIDPWKDXYHWTEA-KBPBESRZSA-N 312.369 2.445 0 40 DEAB C[C@H](Nc1cc(N[C@H](C)[C@@H]2CCCO2)ncn1)[C@H]1CCCO1 108502873 NVPULYKGDSWTSO-LVEBTZEWSA-N 306.410 2.435 0 40 DEAB Cc1ccc(N2C(=O)C(=O)N(C[C@H]3CCCCO3)C2=O)c(C)c1 27281120 FMNSHPBJSOCRAR-CYBMUJFWSA-N 316.357 2.168 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CN1CCCC1=O 44686405 RZWOGFSTUVWNHX-ZDUSSCGKSA-N 304.390 2.340 0 40 DEAB CCn1nnnc1S[C@H](C)C(=O)c1ccc(OC)c(OC)c1 58210476 RXGCWKDIZPYWTD-SECBINFHSA-N 322.390 2.074 0 40 DEAB Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N(C)C)n1C 44948903 CWTHCJFNNFXGAF-CQSZACIVSA-N 320.462 2.497 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)c1sc2nc(C)cc(C)c2c1C 25681549 OXZWMLZJLDLCRQ-LLVKDONJSA-N 319.430 2.476 0 40 DEAB CCOC(=O)c1cnn(-c2ncnc3c2oc2ccccc23)c1N 2261977 ZPEIYTGRSAMNLF-UHFFFAOYSA-N 323.312 2.321 0 40 DEAB C[C@@H]1CN(C(=O)COCc2nc3ccccc3s2)[C@H](C)CO1 45447698 YRXXRYPZXCVVNF-VXGBXAGGSA-N 320.414 2.449 0 40 DEAB C[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3406989 VGQMTPLTKCLBRK-RXMQYKEDSA-N 309.675 2.354 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69560319 LLOYFPBPHHXCSR-NEPJUHHUSA-N 308.451 2.192 0 40 DEAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 69528064 AQCXRWOHPFQAJU-OAHLLOKOSA-N 320.408 2.379 0 40 DEAB Cc1cnc(CN2CCCN(c3nc4ccccc4[nH]3)CC2)cn1 69737070 ANHBJSDYIAYUEG-UHFFFAOYSA-N 322.416 2.374 0 40 DEAB COCCCNC(=O)NCc1ccc(Br)cc1F 69898775 VAMIOXZRFMRAAB-UHFFFAOYSA-N 319.174 2.424 0 40 DEAB Cn1cc([C@H]2C[C@H]2C(=O)OCc2cccc3c2OCCO3)cn1 69872779 ISKAVWOVDDLSGD-ZIAGYGMSSA-N 314.341 2.038 0 40 DEAB CCCn1nccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 69951985 DYTMLFBYWOIVAY-AWEZNQCLSA-N 310.357 2.187 0 40 DEAB O=S(=O)(Nc1ncccn1)c1ccc(Br)cc1 5260288 DYOFXXWJWVBLHW-UHFFFAOYSA-N 314.164 2.040 0 40 DEAB NS(=O)(=O)c1cnc(NCC2(c3ccccc3)CCC2)s1 65487530 HJNICVRGBQRNIF-UHFFFAOYSA-N 323.443 2.324 0 40 DEAB COCCN1CCC[C@H]1CNC(=O)Nc1cccc(C(C)=O)c1 65587292 KTQPWIIWJXZDKM-INIZCTEOSA-N 319.405 2.122 0 40 DEAB CNc1nnc(S[C@H](C)C(=O)N2CCC(C)CC2)s1 14165427 XLFVQJXFQUWATB-SECBINFHSA-N 300.453 2.319 0 40 DEAB COc1cccc(CNC(=O)COC(=O)c2ccc(C)cc2)c1 5456241 IQXLNTAXTOGYOK-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB Cc1cc(OCC(=O)OCC(=O)Nc2ccc(C)c(C)c2)no1 6541569 UUMCGAMGJWXURP-UHFFFAOYSA-N 318.329 2.161 0 40 DEAB CCC1=C(C(=O)OC)[C@@H](c2cccc(OC)c2)n2ncnc2N1 6851053 HYSOKTLGTWKOFE-CQSZACIVSA-N 314.345 2.139 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(F)c2)n2nnnc2N1 15080047 VRUBRUPLSFJOPI-CYBMUJFWSA-N 317.324 2.053 0 40 DEAB Cn1cc(CN2CCN(Cc3ccc(Cl)s3)CC2)cn1 71090415 XHLIWNCXRWDMDN-UHFFFAOYSA-N 310.854 2.453 0 40 DEAB Cc1nc2ncnn2c(C)c1CC(=O)NC1CCCCCC1 6939647 BOBZAQLNZUKAJC-UHFFFAOYSA-N 301.394 2.123 0 40 DEAB O=C1CCCC[C@H]1CN1CCN(C[C@H]2CCCCC2=O)CC1 22860622 LWFKOYDXEOPQLR-IYBDPMFKSA-N 306.450 2.123 0 40 DEAB O=C(CCc1ccco1)N1CCC(OC[C@@H]2CCCO2)CC1 81655161 LNIVOJSUFNKFRB-INIZCTEOSA-N 307.390 2.399 0 40 DEAB Cn1cc([C@@H]2OCC[C@H]2CNCc2cccc3c2OCO3)cn1 84317549 CSRLJXNMDCXPKB-XJKSGUPXSA-N 315.373 2.016 0 40 DEAB CC(C)n1nccc1NC(=O)CCN1Cc2ccccc2C1=O 72402938 MRJXGUOXTKMNPK-UHFFFAOYSA-N 312.373 2.449 0 40 DEAB COC(=O)[C@@]1(C)CCN(Cc2ccc(N3CCCC3)nc2)C1 93813669 RYXPLIKSNUOPAE-KRWDZBQOSA-N 303.406 2.067 0 40 DEAB CCC[C@H](C)NCc1ccc(OCC(=O)NCC)c(OC)c1 72659310 VQTQUDOXLOSNAI-ZDUSSCGKSA-N 308.422 2.488 0 40 DEAB CN(C)C(=O)CN(C)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 72781141 ZZPKCSUXKQQYMI-UHFFFAOYSA-N 313.401 2.207 0 40 DEAB CC(C)(C)c1nc(CC(=O)N2CCC[C@H](C(=O)O)C2)cs1 96479552 INIIYHGCNMFVAX-JTQLQIEISA-N 310.419 2.306 0 40 DEAB C[C@@H](CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 71841480 MKIDKXRTYYNXBB-SMDDNHRTSA-N 306.381 2.022 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)[S@@](=O)Cc1cc(C)no1 71859055 IKMSPDVWTNHFPJ-KPWVOAKYSA-N 322.386 2.268 0 40 DEAB CCCC(=O)Nc1ccccc1OCCN1CCN(C)CC1 71883029 XNFXZVBKBMXYFH-UHFFFAOYSA-N 305.422 2.051 0 40 DEAB CN(C)CCN(Cc1cccc(O)c1)C(=O)c1cncc(F)c1 97022452 OODSQQFPHXUWGC-UHFFFAOYSA-N 317.364 2.130 0 40 DEAB Cc1nc(C)c(CN2Cc3ccccc3C[C@@H]2C(N)=O)s1 97032560 YOQPKVYGWWBMLK-CQSZACIVSA-N 301.415 2.172 0 40 DEAB Cc1nc([C@@H]2CCCN(c3ncc(Br)cn3)C2)no1 72273514 CKSLOHTWGCZIKD-SECBINFHSA-N 324.182 2.315 0 40 DEAB O=C(NCCOc1ncc(Cl)cc1Cl)c1cnns1 95417291 VTVZORVLLGTLRP-UHFFFAOYSA-N 319.173 2.049 0 40 DEAB CCc1cc(CNC(=O)CCc2ccc(C(=O)O)cc2)on1 95969731 LOUOFTCOWMAROA-UHFFFAOYSA-N 302.330 2.184 0 40 DEAB O=C1NC2(CCN(Cc3ccccc3)CC2)Nc2ncccc21 95954812 JJXPQQWHTUONBK-UHFFFAOYSA-N 308.385 2.229 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Cl)o1 95980360 PNWSHPUDWNXEJW-JTQLQIEISA-N 309.753 2.487 0 40 DEAB CCc1nnc([C@H](C)N2CCCN(C(=O)OCC(C)C)CC2)o1 89296193 COKBKPMMTONRMF-ZDUSSCGKSA-N 324.425 2.493 0 40 DEAB CCCc1nc(CN(C)CC2CCN(CCO)CC2)cs1 75132890 HZCWKRDHMAZUSH-UHFFFAOYSA-N 311.495 2.232 0 40 DEAB Cn1cccc1CNC[C@@H](c1cccs1)N1CCOCC1 75568251 GRSFPMYNYZTCDQ-HNNXBMFYSA-N 305.447 2.250 0 40 DEAB Cc1cnc(Nc2cccc([C@@H]3CCCN3CC(N)=O)n2)s1 72383068 BUACKRAFWVHEKY-LBPRGKRZSA-N 317.418 2.212 0 40 DEAB O[C@H]1C[C@@H]2CN(Cc3ccc([C@H]4CCCCO4)o3)C[C@@H]2C[C@@H]1O 72135381 CLWLRIXVYFYJHB-QMPXSYISSA-N 321.417 2.085 0 40 DEAB Cc1cc(N(C)C)cc(C2CCN(C(=O)c3cnco3)CC2)n1 72368348 CGKNUYDZZGPYDW-UHFFFAOYSA-N 314.389 2.464 0 40 DEAB O=C(NCc1nnc2n1CCC2)N1CC=C(c2ccccc2)CC1 44895333 ZCDOOQWTZPUPOS-UHFFFAOYSA-N 323.400 2.223 0 40 DEAB Cc1cccn2cc(CCNc3ccc4nnc(C)n4n3)nc12 80676030 DNUIHVUUILVJHN-UHFFFAOYSA-N 307.361 2.043 0 40 DEAB O=C(NCc1cnn2c1CCCC2)Nc1ccc2c(c1)OCO2 225612119 FPKUSWVAXPILCX-UHFFFAOYSA-N 314.345 2.270 0 40 DEAB C[C@H]1CN(C(=O)C[C@@H](CC(=O)O)c2cccs2)C[C@@H](C)O1 223125201 LPIKQIJUIMAKEN-TUAOUCFPSA-N 311.403 2.332 0 40 DEAB CNC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1 225433447 BMMOWGDXECAPIY-UHFFFAOYSA-N 301.346 2.389 0 40 DEAB CC(C)[C@@H](CNC(=O)[C@@H]1CCC(=O)NC1)Cc1ccccc1 225553728 QCZVUMZOCAJCQI-HZPDHXFCSA-N 302.418 2.144 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)[C@H]1CC(=O)N(C(C)C)C1 42645644 FYRMIJUBGXMMSX-HNNXBMFYSA-N 318.417 2.347 0 40 DEAB COc1ncccc1NC(=S)NCc1ccc2c(c1)OCO2 224044749 ZWWBUTHTCGOAEK-UHFFFAOYSA-N 317.370 2.306 0 40 DEAB COc1ccc2oc(=O)c(C(=O)NCCCOC(C)C)cc2c1 226038424 KLSXTWXBMQBZLW-UHFFFAOYSA-N 319.357 2.347 0 40 DEAB Cc1occc1C(=O)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 96158647 YYWRKVDDFQCBRD-HNNXBMFYSA-N 318.417 2.448 0 40 DEAB O=C1C[C@@]2(CCN(Cc3ccccn3)C2)CN1c1ccccn1 96239142 LJTYDGNXKJYDNZ-GOSISDBHSA-N 308.385 2.106 0 40 DEAB CSCC[C@@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 96770862 LKGDPJNMPZUZLB-CYBMUJFWSA-N 320.414 2.354 0 40 DEAB COc1ncccc1CN1CCOC[C@H]1c1csc(C)n1 96217168 KVHSXTPVTGUSDR-AWEZNQCLSA-N 305.403 2.429 0 40 DEAB C[C@H]1CN=C(N2CCN(C(=O)CCc3ccsc3)CC2)S1 96426978 GENBKFDXKGBDJN-LBPRGKRZSA-N 323.487 2.316 0 40 DEAB O=C(Cc1ccoc1)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 331573063 RDXWZRXGIIKLQN-IUODEOHRSA-N 307.296 2.435 0 40 DEAB Cc1cnc(N2CCc3ncnc(-c4cccnc4)c3CC2)nc1 96083988 YHVDYVBWNSGBGP-UHFFFAOYSA-N 318.384 2.242 0 40 DEAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)nc1)C2 96229792 BENKIVHUXNWTMT-SFHVURJKSA-N 315.417 2.397 0 40 DEAB Cc1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)n1 96476293 SXYQSIDPLBNECB-AWEZNQCLSA-N 302.305 2.475 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](c2ccncn2)C1 257321324 WBDFLHFBNJLSQN-ZDUSSCGKSA-N 309.373 2.164 0 40 DEAB O=C(N[C@@H]1CCCC[C@@H](O)[C@@H]1O)c1ccccc1C(F)(F)F 257324762 WQAYDHAZDJQPBB-JHJVBQTASA-N 317.307 2.100 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257217579 CZOIRWWJDVULMO-CYBMUJFWSA-N 309.373 2.235 0 40 DEAB CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)Cc2cccn2C1 382702178 PEZRAUSUODVCHO-GFCCVEGCSA-N 308.378 2.418 0 40 DEAB O=C(/C=C/c1ccc(F)cc1)Nc1cc(-n2cccn2)ncn1 90614122 ISYIEYHLTPYCOK-QPJJXVBHSA-N 309.304 2.453 0 40 DEAB O=C(c1ccoc1)N1CC[C@@H](c2ccccc2)S(=O)(=O)CC1 390831983 WLGYLLFHNSHJDC-HNNXBMFYSA-N 319.382 2.282 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCc2ccccc2C1 44896753 RYUNFQZSNHYMAK-UHFFFAOYSA-N 304.353 2.466 0 40 DEAB Cc1noc(C)c1CNS(=O)(=O)c1ccc(F)cc1F 60066269 SSBZHSRUUFOSGY-UHFFFAOYSA-N 302.302 2.048 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)no1 91776974 KMJFHTAEPLVRRH-HZMBPMFUSA-N 308.284 2.209 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)O)OCC(=O)N2C2CCCCC2)o1 828545490 GSPFTFJEEWRWQE-CABCVRRESA-N 307.346 2.274 0 40 DEAB C[C@H](C(=O)NCCc1nc(-c2ccncc2)n[nH]1)c1ccccc1 12114877 NTNSDGJIGUFOEJ-ZDUSSCGKSA-N 321.384 2.329 0 40 DEAB CC(C)C(=O)N1CCC(n2nc(-c3ccco3)ccc2=O)CC1 12157846 LMDUPEOJHOUCMP-UHFFFAOYSA-N 315.373 2.323 0 40 DEAB Cn1nc(C2CC2)cc1C(=O)NCc1nc(-c2ccccc2)no1 12202527 UVGIHLCTDJOVSV-UHFFFAOYSA-N 323.356 2.278 0 40 DEAB COC(=O)[C@H]1C(=O)OC(C)(C)[C@@H]1[C@H](C)C(=O)c1ccc(F)cc1 12383216 QDHACZXPGNPJNU-TVYUQYBPSA-N 322.332 2.385 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Br)cc1F 169219397 HHUPEHYQXWSBGW-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB Cc1ncsc1C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390827875 LLFNFXUTUBVQFY-GFCCVEGCSA-N 306.391 2.469 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3cncs3)C2)nc1 1888853999 PUBKIOLJNBRZGU-CYBMUJFWSA-N 303.435 2.342 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1 28700380 IYOMHIYDGOMKAQ-HNNXBMFYSA-N 300.402 2.402 0 40 DEAB C[C@H]1CCCCN1C(=O)CN1C(=O)COc2ccc(Cl)cc21 40039932 SGOPACSJYCEZLP-NSHDSACASA-N 322.792 2.466 0 40 DEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2cccs2)c1 48824554 GKKYAISHKVCXTH-UHFFFAOYSA-N 310.400 2.217 0 40 DEAB COc1ccc2c(CC(=O)NCc3ccco3)cc(=O)oc2c1 9705112 WXOMXKXDURJLQG-UHFFFAOYSA-N 313.309 2.254 0 40 DEAB O=c1ccc(C2CC2)nn1CCNc1ncnc2ccsc12 1775974187 XVTOZLCDQHYZDW-UHFFFAOYSA-N 313.386 2.238 0 40 DEAB Cc1cc2ncc3c(n2n1)CCN(C(=O)/C=C/c1ccco1)C3 208034410 RMUQOWYIAJAWKX-SNAWJCMRSA-N 308.341 2.229 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1cncc(Br)c1)C(=O)O 20480856 OQVNJVSIPVUOLL-XVKPBYJWSA-N 315.167 2.073 0 40 DEAB Cn1cnnc1CNC(=O)COc1ccccc1-c1ccccc1 40512106 WFSOVLACTYPHGV-UHFFFAOYSA-N 322.368 2.177 0 40 DEAB CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C 101838325 JJXBZIUQYCGJPC-IAGOWNOFSA-N 314.429 2.192 0 40 DEAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccnc2)cc1 265353 SQMRPWZRMBJZTP-UHFFFAOYSA-N 304.371 2.193 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NC[C@H](O)COc2ccc(F)cc2)c1 69624616 WEUAKHCMWGGKCJ-LZWOXQAQSA-N 321.396 2.310 0 40 DEAB NC(=O)[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1C(F)(F)F 76068667 FGGHJQQWFDBCBX-PSASIEDQSA-N 315.295 2.481 0 40 DEAB COCCCNC(=O)[C@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 2713492 QTAJVXSIMNFEDY-ZDUSSCGKSA-N 320.433 2.255 0 40 DEAB O=C(NCCc1ccc(Cl)cc1)c1cc2ncccn2n1 2788456 WTOPAPIMPZGMJB-UHFFFAOYSA-N 300.749 2.355 0 40 DEAB CC[C@]1(C)Cc2c(sc3c2-c2nncn2-c2nncn2-3)CO1 507981 NUVOWRADKJBAMT-CQSZACIVSA-N 314.374 2.131 0 40 DEAB O=S(=O)(NCc1ccccn1)c1ccc2c(c1)CCCC2 7059616 UWXDQSVVHIEENL-UHFFFAOYSA-N 302.399 2.439 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N[C@@H]21 525648 ABHXTCWVNDYPBR-OAHLLOKOSA-N 310.309 2.106 0 40 DEAB biogenic CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccc(C)s1)C2 108528910 HMHQHUHJEBQAMP-MLGOLLRUSA-N 306.431 2.435 0 40 DEAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)NCCCn1cncn1 41862251 CGQLUPRTEOJDOD-GFCCVEGCSA-N 322.796 2.214 0 40 DEAB CC(C)c1nc(CN2CCNC(=O)C[C@H]2c2ccccc2)no1 53616409 HLVHVOWVVXHDRC-AWEZNQCLSA-N 314.389 2.256 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)CCOc2cccc(Cl)c2)C1 37436428 NCQWUULXJWGWAB-LLVKDONJSA-N 311.765 2.432 0 40 DEAB NCCn1cc(-c2ccc(I)cc2)cn1 85394471 AMAZMFKPTPXYTM-UHFFFAOYSA-N 313.142 2.113 0 40 DEAB COc1ccc(CCN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 69741053 GFXIAKFCWDXKPO-GOSISDBHSA-N 315.417 2.144 0 40 DEAB COc1ccc(C(=O)CCC(=O)Nc2ccn(C)n2)cc1OC 24473323 VNKRDPGEBMOXDP-UHFFFAOYSA-N 317.345 2.039 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2cccc(Cl)c2)nc1 24770924 ORYLNZSWLYSZGI-UHFFFAOYSA-N 303.749 2.412 0 40 DEAB Cc1nn(C(C)C)c2cnn(CCNC(=O)c3ccco3)c12 57279695 BIJAJBTVEGHOBH-UHFFFAOYSA-N 301.350 2.145 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1 3253545 YRIYZRYXJKVNIH-GFCCVEGCSA-N 318.373 2.060 0 40 DEAB Cc1nc(COc2ccccc2C(=O)NCC(F)(F)F)no1 48234702 RVGGNPJFIJJBPN-UHFFFAOYSA-N 315.251 2.249 0 40 DEAB CC[C@H](c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1 57860662 IXKKRJNWSLOFGQ-GOSISDBHSA-N 315.461 2.378 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108530780 IIMBGAKAGBRMHQ-GJZGRUSLSA-N 320.458 2.382 0 40 DEAB CSc1nc2ncnc(N(C)Cc3cnn(C)c3)c2s1 58154143 IGDQWPQVXFLSMZ-UHFFFAOYSA-N 306.420 2.178 0 40 DEAB O=C(CNC(=O)c1ccccc1)N[C@@H]1CCCOc2ccccc21 58244090 ATCXSDNTKZGXEH-MRXNPFEDSA-N 324.380 2.447 0 40 DEAB CN(CCc1ccncc1)C(=O)CSCc1ccncc1 58405924 WKDPAYUYOOXAEX-UHFFFAOYSA-N 301.415 2.411 0 40 DEAB Cc1ccnc2nc(C(=O)N3CCCCc4ccccc43)nn12 48374911 CKQZABMIQFHNDJ-UHFFFAOYSA-N 307.357 2.416 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1F)C(=O)O 8699145 JNELGIOSRKVOJY-NSHDSACASA-N 301.289 2.485 0 40 DEAB CN(C)c1cccc(C(=O)NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2C3)c1 408491737 BLQIOAILSFJPBN-XUJVJEKNSA-N 322.430 2.001 0 40 DEAB CCC[C@H](C)NC(=O)CSc1nc2nc(C)cc(C)n2n1 3467035 ODFHUYJMSBILJI-VIFPVBQESA-N 307.423 2.138 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@@H](n2ccnc2C)C1 69874076 QSRAPOOFHPBULC-CYBMUJFWSA-N 300.362 2.072 0 40 DEAB CCCn1nnnc1CN1CCO[C@H](c2ccccc2Cl)C1 69841747 WWQDCQHOJNFRRV-AWEZNQCLSA-N 321.812 2.310 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C2 69922660 IBQFIAQFJMKOTG-UONOGXRCSA-N 314.364 2.126 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)c2sccc2C(C)C)CC1 69951586 PMJKMJRETMDNRU-ZDUSSCGKSA-N 310.463 2.400 0 40 DEAB COc1ccc2c(c1)cc(C(=O)N[C@@H](CC(C)C)C(=O)O)n2C 4000266 GLAFRJJPFZLGMN-ZDUSSCGKSA-N 318.373 2.416 0 40 DEAB biogenic CC(=O)N(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccccc1C 18246866 VSCYTNYKIXYKKS-GASCZTMLSA-N 314.385 2.481 0 40 DEAB CC[C@H](C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28576906 BMMYESVPTDXUBL-UONOGXRCSA-N 324.446 2.002 0 40 DEAB C[C@@H]1CN(c2ncnc3c2cnn3C)C[C@H](c2ccccc2)O1 65415443 AGRLSQLOVYJPTK-IUODEOHRSA-N 309.373 2.330 0 40 DEAB O=C(NCC(F)(F)F)[C@H](c1ccccc1)N1CCSCC1 65591112 KEZSQYALJNXGNP-LBPRGKRZSA-N 318.364 2.455 0 40 DEAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2 5450975 ZIPCDFWZSORTBC-CQSZACIVSA-N 324.336 2.271 0 40 DEAB CS(=O)(=O)n1cc(I)c2ccccc21 4776536 HBPCGLIYYAOZIF-UHFFFAOYSA-N 321.139 2.054 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCC1(C)COC1 66532423 QWRZYBLKATUXAZ-CQSZACIVSA-N 323.364 2.160 0 40 DEAB Cn1c(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)n[nH]c1=S 66625366 QNJGCDFEDJFUDT-MNOVXSKESA-N 306.366 2.037 0 40 DEAB COc1ncccc1NC(=O)C(=O)NC1CCCCCCC1 80132559 KNCYWPNZSDLJRR-UHFFFAOYSA-N 305.378 2.258 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2ccc3[nH]cnc3c2)cc1 9157044 RCXBZUJWVGJJKT-UHFFFAOYSA-N 309.325 2.280 0 40 DEAB CCOc1ccccc1C(=O)Nc1ccc(-n2cnnn2)cc1 15646332 XGGKMTUDYZAVOH-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc2c(c1)OCO2 7514114 INPHDQUYFRBMJA-UHFFFAOYSA-N 317.272 2.350 0 40 DEAB COCc1cc(NC(=O)N[C@@H]2CCCc3occc32)ncn1 93312843 MFQZLZREUFTGDR-GFCCVEGCSA-N 302.334 2.415 0 40 DEAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)nc1 23518877 UVQCHTSVEXLAFX-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB C[C@@H](NC(=O)CCC1CCCC1)c1ccc(S(N)(=O)=O)cc1 7781200 CBUUEEADQDJFGU-GFCCVEGCSA-N 324.446 2.482 0 40 DEAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2O1 7825763 VZLFLZXXEDAFQI-INIZCTEOSA-N 310.353 2.149 0 40 DEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)N1CCCCCC1 8119574 RLKOKDGRPOFGDZ-UHFFFAOYSA-N 321.396 2.099 0 40 DEAB C[C@H](Cn1cccn1)N[C@@H](C(=O)N1CCCC1)c1ccccc1 69370518 ACWSFOJVNLJRCC-NVXWUHKLSA-N 312.417 2.225 0 40 DEAB C[C@@H]1CN(CC2CCN(CCc3ccncc3)CC2)C[C@@H](C)O1 69484321 SPRXGOCAUKSXNA-IAGOWNOFSA-N 317.477 2.445 0 40 DEAB Cc1nc(Nc2ccccc2C(=O)O)cc(N2CCOCC2)n1 20136013 PBHSSZQBVXDZLF-UHFFFAOYSA-N 314.345 2.063 0 40 DEAB C[C@@H]1CCOCCN1C(=O)NCc1ccc(-n2ccnc2)cc1 91628037 HLHPZWUTFSFFDH-CQSZACIVSA-N 314.389 2.193 0 40 DEAB COC(=O)CCNC(=O)[C@@H](OC1CCCC1)c1ccccc1 69513051 QSTAVWYATCJEJN-INIZCTEOSA-N 305.374 2.366 0 40 DEAB Cc1nccn1CCCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69588152 STKVVYVDLBERSM-HOTGVXAUSA-N 304.438 2.057 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69531764 MBBBCIZMYYYNCJ-LBPRGKRZSA-N 319.434 2.475 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3nccs3)C2)c1 69528861 BDGQUBYNSUFCEZ-CYBMUJFWSA-N 304.419 2.444 0 40 DEAB O=C(Cn1cccn1)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 96412549 LFSOFFIJAIWKKB-JKSUJKDBSA-N 315.373 2.204 0 40 DEAB O=C(CC1CCCC1)NCC(=O)N[C@H]1C[C@@H]1c1ccc(F)cc1 96402760 OHIJNNJCNHVVNK-CVEARBPZSA-N 318.392 2.494 0 40 DEAB Cc1ccc(-c2ccc(C(=O)NC(CO)CO)c(F)c2)cc1C 97374766 DVJMVPNIYDRWIO-UHFFFAOYSA-N 317.360 2.193 0 40 DEAB CC[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)c1c(C)noc1C 97374103 ORLHSZVDNRCVFS-GFCCVEGCSA-N 305.382 2.311 0 40 DEAB O=C(OCc1nccn1C(F)F)c1cccc(-n2cccn2)n1 72290904 CRDDETPGANSHKD-UHFFFAOYSA-N 319.271 2.216 0 40 DEAB O=C([C@H]1COc2ccccc2O1)N1CCSc2ncccc21 72295972 LVGWCOXFNBAFEI-CQSZACIVSA-N 314.366 2.360 0 40 DEAB CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CN1CCOC1=O 95399715 FAKDGYWGSWJBMD-HOCLYGCPSA-N 318.417 2.458 0 40 DEAB CO[C@@]1(C)C[C@H](NC(=O)N2CCC(n3ccnc3)CC2)C1(C)C 84668201 ZLFPBQVZSZSEPN-YOEHRIQHSA-N 320.437 2.433 0 40 DEAB Cc1cc(N[C@@H]2CCCC[C@H]2C(N)=O)nc(-c2ccccn2)n1 95415876 TTYREMLSGFGAFX-CHWSQXEVSA-N 311.389 2.303 0 40 DEAB C[C@@H](CNS(=O)(=O)C1CCOCC1)Cc1cccs1 95402903 MZYDVJJYXPQGNR-LLVKDONJSA-N 303.449 2.025 0 40 DEAB CCOC(=O)c1cnn(C(=O)Cc2c[nH]c3ccccc23)c1N 95467809 RRDIZAFCYQVTEN-UHFFFAOYSA-N 312.329 2.006 0 40 DEAB O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccc2nccnc2c1 95435364 RACFZLOWQQWJOT-CQSZACIVSA-N 319.368 2.034 0 40 DEAB Cc1noc(C)c1CN1CC[C@H](NC(=O)c2cccs2)C1 98211968 IVLDLYOYIHTWPZ-LBPRGKRZSA-N 305.403 2.357 0 40 DEAB COCC(=O)Nc1ccc(N[C@H]2CN(C(C)C)C[C@H]2C)cc1 88685791 ZRVSPOYJQBPKLQ-CJNGLKHVSA-N 305.422 2.412 0 40 DEAB COc1ccccc1N1CCC[C@H](N[C@H]2CCSC2)C1=O 95968168 QWZJWVIAXGSTMV-STQMWFEESA-N 306.431 2.286 0 40 DEAB Cc1noc(C)c1CNC(=O)N1CCN(c2ccccc2)CC1 95955212 JCFFUDRHWXXXMB-UHFFFAOYSA-N 314.389 2.323 0 40 DEAB FC(F)(F)c1csc(NC[C@H]2COC3(CCOCC3)O2)n1 95990675 XETLAJIOWLNACH-QMMMGPOBSA-N 324.324 2.496 0 40 DEAB O=C(c1cccnc1NC[C@@H](O)C1CC1)N1CCc2ccccc21 89861314 WKKCWAFVOZNABE-QGZVFWFLSA-N 323.396 2.467 0 40 DEAB O=C(Cn1ccccc1=O)Nc1c(F)cccc1NC1CC1 89878799 KDCXNLBNAZFUNJ-UHFFFAOYSA-N 301.321 2.200 0 40 DEAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCO[C@@H](c2ccccc2)C1 89828112 YVAHQEYRRDPBIF-QGZVFWFLSA-N 324.380 2.077 0 40 DEAB CC(C)(C(=O)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1)C1CC1 1551750608 YSJOGWIDVCSHFV-OAHLLOKOSA-N 321.442 2.497 0 40 DEAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1ccsc1 72324316 MQMSKVMODRCQRJ-LLVKDONJSA-N 316.382 2.403 0 40 DEAB COCC(=O)Nc1ccnn1Cc1ccc(Br)cc1 32905042 JFWZIKWXAVDFRY-UHFFFAOYSA-N 324.178 2.279 0 40 DEAB CCOc1cc(CN2CCc3c(O)nc(C)nc3C2)ccc1O 72347439 HQMLGSQZTBMKTB-UHFFFAOYSA-N 315.373 2.153 0 40 DEAB NCC(=O)NC1CCC(N(Cc2ccccc2)C2CC2)CC1 79391060 BRLOOPRCGLNTMT-UHFFFAOYSA-N 301.434 2.037 0 40 DEAB Cc1cc(CNC(=O)CCCc2ccccc2)nc(N(C)C)n1 189998491 XVOHRXHKOXMVES-UHFFFAOYSA-N 312.417 2.490 0 40 DEAB Fc1ccc(Cc2nn3c(-c4cnccn4)nnc3s2)cc1 36354509 PHLIPRVZMGCMMA-UHFFFAOYSA-N 312.333 2.373 0 40 DEAB Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCCO4)cc2n1 35312936 JASCOSBWLWDLGI-UHFFFAOYSA-N 324.340 2.370 0 40 DEAB C[C@H](Cn1cc(Cl)cn1)C(=O)N[C@H]1CCCc2c1cnn2C 71195558 IJSSMNJDBAEMSJ-MFKMUULPSA-N 321.812 2.100 0 40 DEAB Cc1nc(COc2ccc(C(=O)NCCO)cc2)sc1C 88520971 SOYJVUXOTAPYSE-UHFFFAOYSA-N 306.387 2.061 0 40 DEAB CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)O 195551785 ONXOYVKNEKJUCP-CYBMUJFWSA-N 301.346 2.164 0 40 DEAB CSc1nnc(NS(=O)(=O)Cc2ccccc2)s1 225664841 JNCQWAYFAALYQV-UHFFFAOYSA-N 301.418 2.202 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CNc1ccc(F)cc1 226390603 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2.175 0 40 DEAB C[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(=O)N(C)C 2260638 LDRPGXUQWKETBH-MRVPVSSYSA-N 320.172 2.392 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1CCSCc1ccco1 29302739 NQNFIOGKCNNHON-UHFFFAOYSA-N 302.355 2.216 0 40 DEAB CCCCS(=O)(=O)NCc1cn2cc(Cl)ccc2n1 48904480 AOSRNWPLFIWPRG-UHFFFAOYSA-N 301.799 2.207 0 40 DEAB C[C@@H](O)CN1CCN(Cc2c(Cl)ccc3cccnc23)CC1 69949762 PRJDAFFANBVGJQ-CYBMUJFWSA-N 319.836 2.387 0 40 DEAB COc1cc(CCC(=O)NCCc2c[nH]c3ccccc23)on1 8764771 KZBYSJGXMMIMAA-UHFFFAOYSA-N 313.357 2.456 0 40 DEAB biogenic Cc1cc(N(C)Cc2ccsc2)nc(N2CCOCC2)n1 65408409 AKMYSJRAZBUUCY-UHFFFAOYSA-N 304.419 2.320 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(C(F)(F)F)cn1 65463072 IMZVIXQYYVUNDN-JTQLQIEISA-N 310.279 2.042 0 40 DEAB Cc1noc(C)c1CNC(=O)NCCN(C)Cc1ccccc1 65615223 OBOGCAYHSFNMRM-UHFFFAOYSA-N 316.405 2.223 0 40 DEAB CN(C(=O)c1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 8937848 NRCJTICSTPUPOB-HNNXBMFYSA-N 303.383 2.099 0 40 DEAB Nc1nc(SCc2nc(Cc3cccc(Cl)c3)no2)n[nH]1 67428347 SCBWKNLIHYAYPZ-UHFFFAOYSA-N 322.781 2.306 0 40 DEAB CCO[C@@H]1C[C@H]1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 67524143 JLQZYYOPMGKPCS-CZUORRHYSA-N 317.364 2.361 0 40 DEAB COCC(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 96006303 KURKGYCRZKWLMC-GFCCVEGCSA-N 303.280 2.252 0 40 DEAB Cc1nc(-c2cccc(Cl)c2)[nH]c1/C(O)=N/S(C)(=O)=O 91437154 SHDXWJSXKZRXBM-UHFFFAOYSA-N 313.766 2.303 0 40 DEAB Cn1cnc2c1CCN(Cc1ccc(C(=O)N3CCCC3)cc1)C2 69557600 ONASJRPBPLMGKH-UHFFFAOYSA-N 324.428 2.214 0 40 DEAB COCCNC(=O)Nc1ccc(N2CCSCC2)c(C)c1 69656442 WXRWZGQLEQTRSL-UHFFFAOYSA-N 309.435 2.316 0 40 DEAB COc1ccccc1CCN(C)CC(=O)Nc1c(C)n[nH]c1C 69696757 TVPMGBPKBMZVSB-UHFFFAOYSA-N 316.405 2.148 0 40 DEAB CC(C)(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccc(F)cc1 96409048 RKJAIKMZRGGXHV-RISCZKNCSA-N 322.380 2.332 0 40 DEAB CC(C)n1cnc(S(=O)(=O)N2CCCc3cccc(O)c32)c1 96487517 REPSQENDQSDFHO-UHFFFAOYSA-N 321.402 2.311 0 40 DEAB COc1c(F)cc(NC(=O)N[C@@H]2CCC[C@@H]2CO)cc1F 96434187 BUBNJPVZUKGFFB-PRHODGIISA-N 300.305 2.256 0 40 DEAB CC(C)c1ncncc1C(=O)N1CCN(Cc2ccco2)CC1 71800087 OJVOXKSBNTVDCK-UHFFFAOYSA-N 314.389 2.151 0 40 DEAB c1csc(-c2nnc(CN3CCC[C@@H](C4OCCO4)C3)o2)c1 71910855 SSZXXBHTMHVBNL-LLVKDONJSA-N 321.402 2.383 0 40 DEAB O=C(NCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21)NC1CC1 84581865 ABQVZHMCPFXYOF-MRXNPFEDSA-N 313.401 2.127 0 40 DEAB Cc1noc(C)c1C(=O)NCc1ccc(Cn2cccn2)cc1 9690032 XGGBSNZEMKFMME-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB CSC[C@](C)(O)CN[C@@H](C)CC(=O)Nc1ccc(F)cc1 97017026 OIDKATXVOUGXFU-XHDPSFHLSA-N 314.426 2.246 0 40 DEAB CCOC(=O)c1cnc2c(C)cc(F)cc2c1N1CC[C@@H](O)C1 95400743 AZYWHGAJARZNJW-GFCCVEGCSA-N 318.348 2.430 0 40 DEAB Cc1cc(=O)c(C(=O)NCc2cccc(-c3cnn(C)c3)c2)c[nH]1 95448116 NRSCOVHMLPLORO-UHFFFAOYSA-N 322.368 2.014 0 40 DEAB CCCCN1CCc2ccc(NC(=O)[C@@H](C)NC(C)=O)cc21 95415691 QPTQJVUVJUNOAI-GFCCVEGCSA-N 303.406 2.312 0 40 DEAB CCC[C@H](C)C(=O)N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 95435829 GXMQPXRVGIIIBR-WDEREUQCSA-N 320.397 2.494 0 40 DEAB C[C@](COc1ccccc1)(NC(=O)c1ccc(F)cc1)C(=O)O 95424642 UVCRAOALDQNVGE-QGZVFWFLSA-N 317.316 2.478 0 40 DEAB C[C@](O)(CNC(=O)C(=O)Nc1ccccc1Cl)C1CCCC1 95960540 ZTRVMCHDPTZHDS-INIZCTEOSA-N 324.808 2.336 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75122016 PSNJXGMYKNXLJP-ZDUSSCGKSA-N 322.368 2.057 0 40 DEAB Cc1ccc([C@H](CNC(=O)N(C)C2CCC2)N2CCOCC2)o1 89652494 FCQUFGZDFSHOHK-HNNXBMFYSA-N 321.421 2.155 0 40 DEAB c1cc(CN2CC[C@@H]3[C@H]2CCN3CC2CCOCC2)ccn1 306144283 ZBDVTIFYPZORBF-QZTJIDSGSA-N 301.434 2.157 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cccc(CN2CCOCC2)c1 20490438 XBILIEDRTGYIEA-LESCRADOSA-N 314.429 2.437 0 40 DEAB CCN1CCN(C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 22863651 YFJXJPMQFHEZTK-GVDBMIGSSA-N 312.498 2.216 0 40 DEAB CCc1cc(NC(=O)N2CCC[C@H](Cc3nc(C)no3)C2)no1 1553070679 BQECYJCIKSTBLZ-LLVKDONJSA-N 319.365 2.415 0 40 DEAB CCc1nc(C)c(CN2CCN(CC(C)(C)C)[C@H](CCO)C2)[nH]1 71928203 PZWWUTXWZQCCFH-OAHLLOKOSA-N 322.497 2.195 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc2c(c1)OCO2 74923523 UENCYLYROSAZEW-UHFFFAOYSA-N 323.345 2.341 0 40 DEAB CCOC(=O)C1=NN(c2ccc(OCC)cc2)[C@@](C)(C(=O)O)C1 71979639 ISKJZXMOYMOPHX-MRXNPFEDSA-N 320.345 2.058 0 40 DEAB Cc1oc2ccccc2c1CNC(=O)N[C@@H]1C=C[C@H](CO)C1 185828600 SGQFTESCYLOXMW-QWHCGFSZSA-N 300.358 2.477 0 40 DEAB COC(=O)c1ccc(Cl)c(NC(=O)C2CCN(C)CC2)c1 74713399 HLHHYXTZVDFZGM-UHFFFAOYSA-N 310.781 2.407 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 71849452 PQJFCZLNFCAKRI-IHRRRGAJSA-N 302.422 2.367 0 40 DEAB CC(C)N(C[C@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C 79408130 VNRCECBATMXGGZ-AWEZNQCLSA-N 300.443 2.336 0 40 DEAB CS(=O)(=O)N1CCC[C@H](Cc2ccc(Cl)nc2)CC1 72344264 IZYAUBRLPXXQIZ-NSHDSACASA-N 302.827 2.339 0 40 DEAB Cc1nnc([C@H](C)OC(=O)[C@@H]2CC(=O)Nc3ccccc32)o1 78989126 PTGKNBCRYCDPFY-GZMMTYOYSA-N 301.302 2.108 0 40 DEAB CCOC(C)(C)CNC(=O)N1CCC=C(Br)C1 225654467 GIAFEQGSKAGBHH-UHFFFAOYSA-N 305.216 2.496 0 40 DEAB COc1cccc(CC(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1 40107613 MBHKZYPTJOZHTF-HUUCEWRRSA-N 304.434 2.332 0 40 DEAB C[C@H]1CCNC(=O)[C@@H]1NC(=O)NCCCc1cccc(Cl)c1 193817311 JRLJTWVUZVTGNJ-SMDDNHRTSA-N 323.824 2.096 0 40 DEAB Cc1nn(-c2ccccn2)c(C)c1CCNC(=O)c1ccncc1 225582368 YJORWXDBAFCOCD-UHFFFAOYSA-N 321.384 2.252 0 40 DEAB COC(=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)N1 40566596 LMESCXZYKUQWTJ-MELADBBJSA-N 305.374 2.221 0 40 DEAB O=C(NCCC1=CCCCC1)c1cc(N2CCOCC2)on1 224071145 VOQRLKJMKAAZQT-UHFFFAOYSA-N 305.378 2.132 0 40 DEAB COc1cccc(OCCN2CCOC[C@@H]2c2cccn2C)c1 131614777 CPEMRWSRGDMHKI-GOSISDBHSA-N 316.401 2.486 0 40 DEAB C[C@@H](NN)c1cc(Br)c(O)c(Br)c1 199536045 KZFLCLKMBUZNEV-SCSAIBSYSA-N 309.989 2.442 0 40 DEAB CN(C)CCOC[C@H]1CC[C@H]2[C@H](CCN2Cc2ccsc2)O1 96064765 VOKNWVZBSJUXOH-IKGGRYGDSA-N 324.490 2.448 0 40 DEAB O[C@H](CN[C@H](c1ccc2c(c1)OCCO2)C1CC1)C(F)(F)F 97378162 GWLCIGOPPQAPIB-KGLIPLIRSA-N 317.307 2.422 0 40 DEAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H]1CC1(Cl)Cl 96444835 AFIODLUYNGFEAZ-SSDOTTSWSA-N 323.249 2.374 0 40 DEAB CCCN1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 514289657 ASCVCTPLFOXQCK-JENIJYKNSA-N 316.445 2.489 0 40 DEAB biogenic,in-vitro CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccn1C)C2 96229782 UCMNOMPSVMQFQE-KRWDZBQOSA-N 303.406 2.032 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CCc2ncncc2C1 96122808 GZFGEDIJWUGKQB-UHFFFAOYSA-N 305.740 2.397 0 40 DEAB CC[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1nc(C)n[nH]1 96446831 OVTXFUSSYYTRPA-HNNXBMFYSA-N 324.388 2.239 0 40 DEAB c1ccc(CCN2CC[C@H]3[C@H]2CCN3c2nncs2)cc1 96184893 INDVBTIEZQAKKU-CABCVRRESA-N 300.431 2.434 0 40 DEAB CCCCNC(=O)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216972 XYZWPMVFFWFMAA-QGZVFWFLSA-N 317.437 2.279 0 40 DEAB CCC(CC)(CN)NS(=O)(=O)c1cccc2cccnc12 95432067 DRVUOHQLHYWXAF-UHFFFAOYSA-N 307.419 2.031 0 40 DEAB COc1ncccc1C(=O)N1CCOC[C@H]1c1csc(C)n1 96219515 CMZNUWADMWNAHJ-ZDUSSCGKSA-N 319.386 2.069 0 40 DEAB Cn1cccc1C(=O)N1CC[C@H](c2noc(-c3ccco3)n2)C1 253473593 WPWXTWTYVFTGSK-NSHDSACASA-N 312.329 2.298 0 40 DEAB C/C=C/C[C@@H](CO)NC(=O)[C@@](O)(CC)c1cccc(Cl)c1 252479803 BMYIQNFXSBNXJA-ICGFCLIJSA-N 311.809 2.381 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)n1 257260594 LDNBZOTUZONXRM-CYBMUJFWSA-N 309.366 2.383 0 40 DEAB O=C(/C=C/c1ccoc1)NC[C@@H](OCCO)c1cccs1 575622417 YQHNEXGLXIVHPK-ITDFMYJTSA-N 307.371 2.221 0 40 DEAB CO[C@H]1CCOC2(C1)CN(C(=O)c1cc3c(s1)CCC3)C2 575405370 SJKKHZHMBLVDBF-LBPRGKRZSA-N 307.415 2.257 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)NCc1c[nH]c2ccccc12 585149502 BLUKXBPQYMLZEE-DZGCQCFKSA-N 313.401 2.192 0 40 DEAB O=C1N(c2ncccn2)C[C@]12CCCN(CC1CCCCC1)C2 585099507 PHMZNESIOWHLBX-GOSISDBHSA-N 314.433 2.486 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 62117496 CJHULMFEIGJLHU-SSDOTTSWSA-N 316.126 2.135 0 40 DEAB Cc1cc(C)n(-c2ccccc2NC(=O)N(CCO)C2CC2)n1 58428743 DRPSIAODXJJIJW-UHFFFAOYSA-N 314.389 2.478 0 40 DEAB CCn1nc(C)c(C(=O)NCCCNc2ccc(C)cn2)c1C 85383166 KETHOVNTOSTRCU-UHFFFAOYSA-N 315.421 2.455 0 40 DEAB CC(C)N1CC[C@@H](CNCc2cnnn2Cc2ccccc2)C1 569064650 JFAXHOPHMHAQKK-KRWDZBQOSA-N 313.449 2.146 0 40 DEAB O=C(COc1ccc(Cl)cc1C(=O)O)NCC(F)(F)F 13083685 FAWHTOCYHOUZPT-UHFFFAOYSA-N 311.643 2.096 0 40 DEAB COC(=O)[C@H](C)N1C(=O)c2ccc3c4c(ccc(c24)C1=O)CC3 5354070 LNFIKLYATOYOBI-VIFPVBQESA-N 309.321 2.096 0 40 DEAB COc1ccc(-n2nnnc2SCC(=O)OC(C)(C)C)cc1 5029056 FPCLGTBBUQYFNZ-UHFFFAOYSA-N 322.390 2.105 0 40 DEAB CCOC(=O)C(Cl)(Cl)[C@](Cl)(OCC)C(=O)OCC 5834394 WHFHADFMHKDXLE-SNVBAGLBSA-N 321.584 2.258 0 40 DEAB C[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 17054184 KRGANEBWHQKIFL-WXHSDQCUSA-N 317.341 2.260 0 40 DEAB CN(C)c1ccc(O[C@@H]2CCN(C(=O)CC3CCCC3)C2)nn1 225444326 RJCADJLPLRISET-CQSZACIVSA-N 318.421 2.103 0 40 DEAB CNC(=O)CNC(=O)c1cc(-c2ccccc2)nc2ccccc12 25199460 HVJYZBHZOVFMMQ-UHFFFAOYSA-N 319.364 2.378 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 10681464 HLTKEXXHUZBEFT-MRVPVSSYSA-N 310.202 2.403 0 40 DEAB Cn1cc(NC(=O)COc2cccc(Br)c2)cn1 25311609 UPMBDIWGLDGQDY-UHFFFAOYSA-N 310.151 2.200 0 40 DEAB O=C(N[C@@H]1CCCN(c2ncnc3ccsc23)C1)C1CC1 1058097288 XZHZAHUYFCVLRJ-LLVKDONJSA-N 302.403 2.186 0 40 DEAB C#C[C@](O)(c1ccc(OC)cc1)c1ccc(N2CCOCC2)cc1 34579245 OXKXYKALLANWHA-HXUWFJFHSA-N 323.392 2.401 0 40 DEAB CCOC(=O)CS[C@H](CC)C(=O)Nc1nnc(CC)s1 4174601 OOJNCIHGHIJSIC-MRVPVSSYSA-N 317.436 2.114 0 40 DEAB c1ccc2oc(N3CCN(c4ncnc5cc[nH]c45)CC3)nc2c1 1775973715 RJPPEIFXGPUBAK-UHFFFAOYSA-N 320.356 2.426 0 40 DEAB Cc1cc(CN2CCC(Oc3ccn4nccc4n3)CC2)on1 2298212765 YTZZQPJDACNQED-UHFFFAOYSA-N 313.361 2.069 0 40 DEAB O=C(O)[C@@H](Cc1ccc(O)cc1)NC(=S)Nc1ccccc1 174779 MJMJHKHZDLOSLW-CQSZACIVSA-N 316.382 2.375 0 40 DEAB O=C([C@H]1CCCN1c1nc2ccccc2s1)N1CCOCC1 40511168 ZRVBGYJMZXUAJH-CYBMUJFWSA-N 317.414 2.124 0 40 DEAB O=c1c2ccccc2cnn1C[C@@H](O)c1ccc(F)cc1F 51289851 OZZPWSYEWJRGRQ-OAHLLOKOSA-N 302.280 2.408 0 40 DEAB COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 256940 DEAVWQSRBJQFEW-QWRGUYRKSA-N 305.330 2.303 0 40 DEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(-n2cccn2)cc1 21560133 NDKHWDPKTPSUIA-HZPDHXFCSA-N 307.353 2.324 0 40 DEAB COc1cccc(OC)c1C(=O)NC(=S)Nc1nccs1 559793 BNUUFFLDWCBDFI-UHFFFAOYSA-N 323.399 2.287 0 40 DEAB COc1cccc(OC)c1OC[C@@H](O)CN1CCC(C)CC1 1469940 JTVSWQOBWROFQU-AWEZNQCLSA-N 309.406 2.175 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1)C(=O)N1CCCCC1 78569134 ZEHJJLVJSRTFHS-VBNZEHGJSA-N 318.392 2.446 0 40 DEAB COCc1noc(CSCC(=O)Nc2ccc(C)cc2)n1 78774776 VSGWCYXZNGXTCQ-UHFFFAOYSA-N 307.375 2.396 0 40 DEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C)CC2)cc1 32914293 FJZJPCVRACBLGI-BLLLJJGKSA-N 315.417 2.105 0 40 DEAB CC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@H]3C=CCC3)CCO2)n1 78889143 SOKFIEBRKPPOEH-QWHCGFSZSA-N 304.394 2.184 0 40 DEAB CS[C@@H](C)C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 78869014 AXGIFRUVYYIGHB-CABZTGNLSA-N 312.822 2.313 0 40 DEAB CC(C)(C)c1ccc(N2C(=O)C[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32912258 YBJGQLZUEXRDEQ-RISCZKNCSA-N 307.415 2.134 0 40 DEAB C[S@@](=O)C[C@H](NC(=O)Cc1ccccc1O)c1ccccc1 78994012 DIULBLAFXWALCL-NYHFZMIOSA-N 317.410 2.171 0 40 DEAB CN(C)c1nc(CNC(=O)N[C@@H]2COc3ccccc32)cs1 78987784 RMHIAXHJECQTFK-GFCCVEGCSA-N 318.402 2.142 0 40 DEAB Cn1c(SCC(=O)Nc2nccs2)nnc1C1CCC1 41360031 GIJWFMMOHKPXSP-UHFFFAOYSA-N 309.420 2.270 0 40 DEAB COCCNC(=O)CSc1ccc(-c2ccc(F)cc2)nn1 4966272 CBJBUNNCFCLWOS-UHFFFAOYSA-N 321.377 2.137 0 40 DEAB OCCN(Cc1ccccc1)C[C@@H](O)COc1ccccc1F 6529471 ZEZLDTKVELRIGV-MRXNPFEDSA-N 319.376 2.060 0 40 DEAB Cc1ccc2c(CN3CCC4(CC3)OCCO4)cc(=O)oc2c1 54219982 XKWBPKZMTUZHCK-UHFFFAOYSA-N 315.369 2.440 0 40 DEAB biogenic O=C(NC[C@H]1COCCO1)c1cccc2c3c([nH]c12)CCCC3 54618408 QROOXCDEMWXBJJ-LBPRGKRZSA-N 314.385 2.192 0 40 DEAB CCc1c(C(=O)N[C@@H](C)COC)cnn1-c1ccc(F)cc1 24546479 XVPMVIAYRNTPEF-NSHDSACASA-N 305.353 2.339 0 40 DEAB NC(=O)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 12582551 VLBSSQVDAGHOQC-UHFFFAOYSA-N 308.341 2.233 0 40 DEAB CO[C@H](C)C(=O)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 55306455 UZJBNRCEFVWSTO-CZUORRHYSA-N 313.401 2.460 0 40 DEAB NC(=O)[C@H]1CC(=O)N(c2ccc3oc(-c4ccccc4)nc3c2)C1 57327171 QUNJFNXTTFYOAI-LBPRGKRZSA-N 321.336 2.333 0 40 DEAB Cc1ncc(CN2CC[C@]3(CCC[C@@H]3C(=O)NC(C)C)C2)cn1 108530997 OQPOQXVHXIXFSI-SJLPKXTDSA-N 316.449 2.302 0 40 DEAB CO[C@@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 25247835 ZAQNVQRGGGNGMJ-AWEZNQCLSA-N 316.382 2.113 0 40 DEAB Cc1cc([C@H]2CCCN([C@@H](C(N)=O)c3ccc(F)cc3)C2)n[nH]1 106918909 MLUSETFUUCPLSW-XJKSGUPXSA-N 316.380 2.263 0 40 DEAB O=C(CNC(=O)c1cc(C2CC2)on1)OCc1ccccc1 25368480 PCYMTVDPXZYAAI-UHFFFAOYSA-N 300.314 2.025 0 40 DEAB Cc1ccnc(N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)n1 108119100 UDLFQKDSJAFWQY-IRXDYDNUSA-N 312.417 2.080 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)c1cc(=O)[nH]c2ccccc12 48288616 PRMGBTASQONGJM-CYBMUJFWSA-N 320.348 2.262 0 40 DEAB C[C@@H](NCCCN(C)C)C(=O)Nc1ccc(F)cc1Cl 3338923 KHKKKTQEVMUUSV-SNVBAGLBSA-N 301.793 2.347 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 113943109 LTXNKGLMVMSMSG-UHFFFAOYSA-N 324.446 2.165 0 40 DEAB NC(=O)CCN1C(=O)NC2(CCCCCCCCCCC2)C1=O 58201451 XGOQMUDYJVWJBR-UHFFFAOYSA-N 323.437 2.457 0 40 DEAB Cc1ccc2[nH]c(=O)c(CNc3ncc(C(=O)O)cc3N)cc2c1 57721737 CBJNBFDGCBWRDO-UHFFFAOYSA-N 324.340 2.124 0 40 DEAB COc1ccccc1[C@H](C)N(C)CC(=O)Nc1cc(C)nn1C 44949954 VKUNRSAKMKIVJB-ZDUSSCGKSA-N 316.405 2.369 0 40 DEAB COc1ncccc1NC(=O)C[C@H](NC(C)=O)c1cccs1 44954502 NKOOQZBLEFDHOJ-LBPRGKRZSA-N 319.386 2.358 0 40 DEAB CCOC(=O)NCCC(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 58401578 GGHHEKUXQWONFX-UKRRQHHQSA-N 320.389 2.111 0 40 DEAB COc1c(CNCc2ccc(CO)c(F)c2)c(C(C)C)nn1C 58407793 OMDBJTALHGEUDF-UHFFFAOYSA-N 321.396 2.473 0 40 DEAB Nc1ccc(N2CCOCC2)c(NC(=O)c2cccs2)c1 20158752 NWKOKSLNBIKJDQ-UHFFFAOYSA-N 303.387 2.419 0 40 DEAB NC(=O)CN(CCc1cccs1)Cc1cccc2c1OCO2 48333796 JOLXZDUDZCYYKM-UHFFFAOYSA-N 318.398 2.007 0 40 DEAB O=C(CCc1nccs1)N1CCCC[C@@H]1Cn1cccn1 69970382 IMNWAQCLIQKYQO-CYBMUJFWSA-N 304.419 2.354 0 40 DEAB Cc1cnn(CCNCCC(=O)N[C@@H](C)c2ccccc2)c1 69951307 JWCKBBOVVBONMT-HNNXBMFYSA-N 300.406 2.049 0 40 DEAB COc1cccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)c1 29112077 NLXZVOMWIJOSDG-UHFFFAOYSA-N 304.390 2.026 0 40 DEAB Cc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)s1 69947793 YRJSKNPQPHMUHJ-UHFFFAOYSA-N 302.403 2.199 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1nc(-c3ccoc3)no1)C2 69951305 OLCSPTCHQDSXFX-UHFFFAOYSA-N 314.349 2.060 0 40 DEAB 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COC(=O)c1cccc(OCC(=O)Nc2ccccc2OC)c1 7030946 LLNWYJOZAAKEHT-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB O=C(c1cc2cc(F)ccc2oc1=O)N1CCCC[C@H]1CCO 90165709 BZDXRPUZHNJAKR-ZDUSSCGKSA-N 319.332 2.309 0 40 DEAB COc1ccc(F)cc1CN1C(=O)c2ccccc2S1(=O)=O 7605805 RFNHVRBGLLOJNY-UHFFFAOYSA-N 321.329 2.179 0 40 DEAB CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCOCC1 68564093 DVMZRZUGPWTXMX-AWEZNQCLSA-N 311.813 2.032 0 40 DEAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)NC(=O)NCc1ccco1 8266578 DEESLUCJZOYXNB-ZIAGYGMSSA-N 319.405 2.118 0 40 DEAB Cc1cccc([C@@H]2C[C@@H]2C(=O)NCC(=O)N2CCCCC2)c1 69381051 SNNNQEOJJMFTLV-HOTGVXAUSA-N 300.402 2.227 0 40 DEAB CO[C@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C)cc1C 69464046 BHTCQWPCWRBOKU-TZMCWYRMSA-N 322.430 2.178 0 40 DEAB Cc1ccc(C)c(CC(=O)N[C@@H](C)C(=O)NC2CCCC2)c1 69457587 JRZMGWLKBBZYMA-AWEZNQCLSA-N 302.418 2.409 0 40 DEAB C[C@H](NCc1csc(-c2cnn(C)c2)n1)[C@H](C)n1cccn1 69659377 DLPYLZAAXNAPSD-RYUDHWBXSA-N 316.434 2.479 0 40 DEAB Cc1cc(CS(=O)(=O)N2CCc3sccc3[C@H]2C)no1 69621109 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COc1ccc(Br)c(C(=O)N2CCO[C@H](C)C2)c1 9853811 BQZFZSQRYZBSFZ-SECBINFHSA-N 314.179 2.319 0 40 DEAB C[C@](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)O)C1CC1 97036227 ABLSDRFLBJHAHS-MRXNPFEDSA-N 317.320 2.199 0 40 DEAB CCc1noc(CC)c1CC(=O)NC1(C(=O)O)CCC(C)CC1 97036133 IKKBVIFHZVIYTD-UHFFFAOYSA-N 322.405 2.492 0 40 DEAB CN1CCO[C@H](CNCc2coc(-c3ccccc3Cl)n2)C1 72267872 DKTPTCUEBRZMPL-CYBMUJFWSA-N 321.808 2.415 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)ccn1 72287443 XEGNPAXCCCYJAO-ZDUSSCGKSA-N 300.362 2.223 0 40 DEAB C[C@H](C1CC1)N(C(=O)Cn1ccnc1-c1cnccn1)C1CC1 95349280 VKNLBEGZTWHPJB-GFCCVEGCSA-N 311.389 2.130 0 40 DEAB CN(C)c1cc(CNC(=O)NC[C@@]2(C)CCCS2)ccn1 84673469 VHCKXEGNXPOFDN-OAHLLOKOSA-N 308.451 2.233 0 40 DEAB CCCCCCNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 84743114 FYGPKFTTYUVHCF-ZBFHGGJFSA-N 303.406 2.298 0 40 DEAB CCc1ccsc1CNC(=O)N1CCC[C@H]1c1nncn1C 95453743 ANJZKUSSTHTJSX-LBPRGKRZSA-N 319.434 2.486 0 40 DEAB COc1c(C(=O)N2CCO[C@@H](c3cccs3)C2)c(C)nn1C 95415918 CGAKPMISRFFTLG-LLVKDONJSA-N 321.402 2.012 0 40 DEAB CCCC[S@@](=O)Cc1ccc(OC)c(S(C)(=O)=O)c1 95964722 MBEQCBPSXWVLSR-SFHVURJKSA-N 304.433 2.148 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C/c2cccn2CC)C1=O 409046815 MNJCNRNNNBGPNC-DHZHZOJOSA-N 308.359 2.107 0 40 DEAB O=C(CCC(=O)c1cccs1)N[C@H]1c2ccccc2C[C@H]1O 75092600 GJLLENFJTQOILF-PBHICJAKSA-N 315.394 2.486 0 40 DEAB CCN1CCC[C@H]1CNC(=O)C1(c2ccccc2)CCOCC1 75489669 ABVBCUDIMQFNJW-KRWDZBQOSA-N 316.445 2.335 0 40 DEAB CCNC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 89977416 HLVFNSXFRVUQHD-WDEREUQCSA-N 315.200 2.349 0 40 DEAB CN1CC[C@H](CNC(=O)CCCC(=O)c2ccc(F)cc2)C1 75610251 RQPIJDLFWSILHF-CYBMUJFWSA-N 306.381 2.247 0 40 DEAB CC[C@@H]1CN(S(=O)(=O)c2ccc(F)c3ncccc23)CCO1 30333642 IFXHRMRVKKWCJC-LLVKDONJSA-N 324.377 2.173 0 40 DEAB CCOc1c(Cl)cc(/C=C2/NC(=O)N(C)C2=O)cc1OC 409187968 DUSTVXCIYOLMNU-UXBLZVDNSA-N 310.737 2.270 0 40 DEAB O=C(C1CCC1)N1CCN(c2ncnc3sccc23)CC1 73955468 VWGYPXUINAJXIY-UHFFFAOYSA-N 302.403 2.140 0 40 DEAB COc1ccc([C@@H](CNC(=O)c2cccn2C)N(C)C)cc1 32668068 READXKMYYJGGDD-MRXNPFEDSA-N 301.390 2.066 0 40 DEAB CCSCCCNC(=O)N[C@H](C)c1nnc2n1CCCC2 225696788 XCVZZSTVVHHCBQ-LLVKDONJSA-N 311.455 2.118 0 40 DEAB CSCC[C@@](C)(O)CNC(=O)COc1ccc(Cl)cc1 75157481 BCESQZCJDLUQBA-CQSZACIVSA-N 317.838 2.339 0 40 DEAB CCCC[C@H](CC)CNC(=O)CCC(=O)NC[C@@H]1CCCO1 199421059 OOXUUUMSBIHBHB-GJZGRUSLSA-N 312.454 2.394 0 40 DEAB Cc1cc(=O)c(C(=O)N(C)Cc2nccs2)cn1C1CC1 329258057 CEEIDHZVTOWVGE-UHFFFAOYSA-N 303.387 2.220 0 40 DEAB Cn1ncnc1-c1cccc(OCCO[C@@H]2CCCCO2)c1 225664528 DXSFJSXAEKHZMM-OAHLLOKOSA-N 303.362 2.404 0 40 DEAB Cc1csc(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)c1 225555679 DUCBGHPMONTPOJ-GFCCVEGCSA-N 318.402 2.246 0 40 DEAB Cc1cc(C[C@@H](C)NC[C@H](O)COc2ccc(Cl)cc2)n[nH]1 572274880 RBVXMIVTICNATE-ABAIWWIYSA-N 323.824 2.332 0 40 DEAB CC(C)c1nn(C)cc1CN(C)Cc1cc(C(N)=O)cs1 93867347 BCYNCVWHOOBVDT-UHFFFAOYSA-N 306.435 2.336 0 40 DEAB Cc1cccc(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c1 96500888 VMPIORJPPBLJGD-LJQANCHMSA-N 324.424 2.492 0 40 DEAB Fc1cccnc1OC[C@]12COC[C@H]1CN(Cc1ccoc1)C2 96209428 DWRHHCIHHZBNJH-PBHICJAKSA-N 318.348 2.341 0 40 DEAB CS(=O)(=O)c1cccc(OC[C@H](O)c2ccccc2F)c1 95439096 KNEMTIZSBITERV-HNNXBMFYSA-N 310.346 2.342 0 40 DEAB Cc1nc(S(=O)(=O)N2C[C@H](C)Sc3ccccc32)cn1C 96461801 ZHVJQCMXBIONQT-JTQLQIEISA-N 323.443 2.418 0 40 DEAB CCN1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1 96228883 CRLAFLPBJGMZKO-INIZCTEOSA-N 308.447 2.323 0 40 DEAB COC[C@@H]1CN(Cc2ccoc2)Cc2nnn(CC3CC3)c21 96060880 RYAHXUPOWCMPHN-AWEZNQCLSA-N 302.378 2.027 0 40 DEAB Cc1cc(N2CCCC2)nc(CNC(=O)c2cccs2)n1 96120772 LHSCTLZVBBGLDV-UHFFFAOYSA-N 302.403 2.377 0 40 DEAB CO[C@@]1(C)C[C@H](NC(=O)CN(C)C(=O)c2cccs2)C1(C)C 96443847 JHQNBZHSVDRETP-LRDDRELGSA-N 324.446 2.140 0 40 DEAB C[C@@H](C(=O)Nc1ccccn1)n1cc(COc2ccccc2)nn1 257173367 LLGGVKIKZGGKSY-ZDUSSCGKSA-N 323.356 2.452 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257294815 QVVSNYJXSUYWTP-GFCCVEGCSA-N 309.373 2.235 0 40 DEAB CCc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)on1 257316574 VGDUJQHCIWINTD-AWEZNQCLSA-N 314.389 2.373 0 40 DEAB COCC(=O)N1C[C@H]2CC[C@H](Cc3cccc(OC)c3)[C@H]2C1 257269423 MPWZTWQWMBCJSW-BFYDXBDKSA-N 303.402 2.369 0 40 DEAB Cn1cccc1C(=O)N1CCCC[C@@H]1c1ccn2nccc2n1 257299352 RPRHORFWGQFLEV-CQSZACIVSA-N 309.373 2.435 0 40 DEAB O=C1CN(C(=O)C2=NO[C@@H](c3ccccc3)C2)c2ccccc2N1 59423528 SBAGUQAFYATNCM-MRXNPFEDSA-N 321.336 2.489 0 40 DEAB CCOC(=O)n1cc(CCNC(C)=O)c2cc(OC)ccc21 77285307 BBGYDVCSRYZANP-UHFFFAOYSA-N 304.346 2.333 0 40 DEAB in-vitro CC[C@@H](NC(=O)c1ccc(F)c(Br)c1)C(=O)OC 84279554 ZLXDSKABMSLFER-SNVBAGLBSA-N 318.142 2.270 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NC[C@](C)(O)c2ccco2)C1 89661874 RTYQEGOOHRHHTM-LRDDRELGSA-N 310.394 2.086 0 40 DEAB Cc1cc(Br)cnc1N(C)CCN1CCCC1=O 95412047 MDUSXZXENKVZSY-UHFFFAOYSA-N 312.211 2.211 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)C1(Br)Br 5048813 VKJCPBAJQBFXQI-XZBKPIIZSA-N 319.980 2.063 0 40 DEAB Cc1nccn1CC1(O)CCN(Cc2ccccc2F)CC1 19288001 WWURIBMAVPBOIL-UHFFFAOYSA-N 303.381 2.358 0 40 DEAB Cn1ccnc1-c1cnc(NCCCO)nc1-c1cccs1 19291798 WVTONUNXNJKBGT-UHFFFAOYSA-N 315.402 2.400 0 40 DEAB O=C([C@H]1CCOC1)N1CCC(Oc2ccncc2Cl)CC1 390826897 QVNKGGHKUDCJBA-NSHDSACASA-N 310.781 2.141 0 40 DEAB CC(C)N1CCC[C@@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 2037841194 ZRMOSGYBYKTCNX-KRWDZBQOSA-N 306.381 2.432 0 40 DEAB C[C@@H](C(=O)OCC(=O)O)c1ccc(C[C@H]2CCCC2=O)cc1 2061000640 DOJZLLNWERACBS-BXUZGUMPSA-N 304.342 2.330 0 40 DEAB CCn1cc(CN=c2[nH]cnc3ncccc23)c(C(F)(F)F)n1 2086968288 VGGBRXLUIBZRSX-UHFFFAOYSA-N 322.294 2.294 0 40 DEAB COc1ccccc1NC(=O)c1cnc2ccc(C)cn2c1=O 9830098 GJXQJHUSKIQLLZ-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB O=C(Nc1ccc2c(c1)CCC2)c1sccc1-n1cnnn1 40088074 UTLKZCICTSBWCA-UHFFFAOYSA-N 311.370 2.465 0 40 DEAB CC(C)C[C@@H](C)N(C)C(=O)Cn1c(=O)n(C)c2ccccc21 30425600 IOWNFQYSGFVZSJ-CYBMUJFWSA-N 303.406 2.233 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCCO2)NCCc1nccs1 50469102 LZPOKVSTNBCOHQ-DUXPYHPUSA-N 316.382 2.286 0 40 DEAB Cn1ccnc1S(=O)(=O)Cc1coc(-c2ccc(F)cc2)n1 40555243 XDDWFJCYUNMWOJ-UHFFFAOYSA-N 321.333 2.188 0 40 DEAB CN(C)c1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccn1 40535395 AWWIHKLRJGNZFV-CYBMUJFWSA-N 318.446 2.242 0 40 DEAB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1C(=O)Nc1cccnc1 101775423 UFMDJMAEDRNLRC-HNNXBMFYSA-N 308.341 2.055 0 40 DEAB CC(=O)Nc1cccc(CNC(=O)c2ccc3[nH]ncc3c2)c1 102174419 QJOUWKPYXRCACI-UHFFFAOYSA-N 308.341 2.451 0 40 DEAB CCCc1n[nH]c([C@H]2CN(Cc3ccn(C(C)C)n3)CCO2)n1 76049265 QUXYRCLSSNKISC-CQSZACIVSA-N 318.425 2.108 0 40 DEAB COc1ccc(C)nc1NC(=O)c1cccc(-n2cccn2)n1 76093538 UEVJESLADVBHDO-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB Cc1cc(C)n(-c2ccc(NCCCn3ccnc3C)nn2)n1 78333438 USVYJFOUULUCDV-UHFFFAOYSA-N 311.393 2.286 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)Nc2cc(CC)nn2C)C12CCC2 78937600 DTIUHSDLAVGBLU-OLZOCXBDSA-N 306.410 2.452 0 40 DEAB O=C(CN1C(=O)C(=O)c2ccccc21)NCCC1=CCCCC1 4968081 UWPQSLLERQRBRN-UHFFFAOYSA-N 312.369 2.223 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)N[C@H]2CCCC[C@H]2C)n1 6223412 JLFMCDMJEZKFCQ-HIFRSBDPSA-N 313.405 2.343 0 40 DEAB CCOC(=O)c1s/c(=N\C(=O)c2cccs2)n(C)c1C 100483417 UWHDIVYSYWNAEV-YPKPFQOOSA-N 310.400 2.374 0 40 DEAB NC(=O)COc1cccc([C@@H]2CC(=O)Nc3ccsc32)c1 12428840 PVFCZUANWOJLBI-NSHDSACASA-N 302.355 2.086 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@H]3CCC[C@H]32)cc1OC 53383635 ZPVWYEBOPMQKCX-KGLIPLIRSA-N 305.374 2.026 0 40 DEAB CN(CCNC(=O)NC[C@@H](O)c1cccc(F)c1)C1CCCC1 104806341 GTGJYLBBEJFAKQ-MRXNPFEDSA-N 323.412 2.033 0 40 DEAB C[C@@H]1CN(CC(=O)Nc2nc(-c3ccccc3)cs2)CCO1 24574158 JPUNVPSQJNNWCN-GFCCVEGCSA-N 317.414 2.469 0 40 DEAB CCOC(=O)c1cccnc1N1CCC[C@@H](n2cccn2)C1 97140685 XDGMFQKWSHLKDR-CYBMUJFWSA-N 300.362 2.296 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nn2cc(C)nc2s1 106788640 DRYVXXNZHZLBMN-CHWSQXEVSA-N 319.434 2.079 0 40 DEAB C/C(=C\C(=O)NCc1nnc2n1CCC2)CCc1ccccc1 69385033 SRUVPONUBOSYOI-WYMLVPIESA-N 310.401 2.420 0 40 DEAB COc1cc(CN[C@@H](C)Cn2cccn2)c2c(c1)C[C@H](C)O2 69376751 LKGIFUBPBNVGNP-STQMWFEESA-N 301.390 2.393 0 40 DEAB CC(C)COC1CCN(C(=O)CN2CCCCCC2=O)CC1 55911221 XTEITRKCHFKOLU-UHFFFAOYSA-N 310.438 2.053 0 40 DEAB CC[C@@H]1CN(C(=O)[C@H](C)c2ccsc2)C[C@H]1N1CCOCC1 107323226 MPDYUSWIAACXOA-IIAWOOMASA-N 322.474 2.421 0 40 DEAB Cc1occc1C(=O)NCC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107314299 SJHCJPYEJVHXBD-MELADBBJSA-N 304.390 2.260 0 40 DEAB Cn1ccnc1[C@@](O)(CCN[C@@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 108371098 SNYKCPAXFSWEMW-FMSGJZPZSA-N 317.355 2.338 0 40 DEAB CCN(CC)CCn1cc(NC(=O)c2ccccc2OC)cn1 58160975 LAGWBGLTPFSHQG-UHFFFAOYSA-N 316.405 2.486 0 40 DEAB Cc1ccc(-c2csc(NC(=O)C3=NN(C)C(=O)CC3)n2)o1 44889423 IQVVVVJBCOLGKH-UHFFFAOYSA-N 318.358 2.258 0 40 DEAB O=C(COCc1ccccc1)N1CCN(c2nccs2)CC1 44894534 HRBXYFQZJNUCLM-UHFFFAOYSA-N 317.414 2.009 0 40 DEAB CN(CCN(C)C1CCCCC1)C(=O)c1cnn2cccnc12 58202960 DHEMHLPPVKNZTK-UHFFFAOYSA-N 315.421 2.066 0 40 DEAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NC[C@H]1CCCO1 27395702 OGHWLDPJGYTSAE-CYBMUJFWSA-N 319.336 2.104 0 40 DEAB C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccc2c(c1)OCCO2 44910452 XMAZCWQNSWDCFV-OBJOEFQTSA-N 320.389 2.386 0 40 DEAB O=C(NCC(F)(F)F)[C@@H](c1ccccc1)N1CCSCC1 58792838 KEZSQYALJNXGNP-GFCCVEGCSA-N 318.364 2.455 0 40 DEAB COc1ccccc1NC(=O)Nc1cccc(-n2cnnn2)c1 8327608 MKHPCNNRNHXFTN-UHFFFAOYSA-N 310.317 2.315 0 40 DEAB O=C(CNC(=O)Nc1ccccc1)NCc1ccccc1F 12975290 UNRQRBQUBFDCOO-UHFFFAOYSA-N 301.321 2.264 0 40 DEAB COC(=O)c1c(C)cccc1NCC(=O)Nc1cc(C)no1 24249108 BSAMYOXVNCPBBH-UHFFFAOYSA-N 303.318 2.129 0 40 DEAB CC(C)OCc1c(I)cnn1CCF 408716090 ITMMFYXGYWJKJD-UHFFFAOYSA-N 312.126 2.382 0 40 DEAB COc1ncccc1C(=O)OC1CCN(CC(F)(F)F)CC1 91698000 IZPDOAOJVGXSIC-UHFFFAOYSA-N 318.295 2.274 0 40 DEAB CCCCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC 6039736 HJPYNBJIIHYYBF-UHFFFAOYSA-N 312.391 2.461 0 40 DEAB CN(Cc1cccs1)C(=O)Cn1nnc(-c2ccccc2)n1 39561293 AIOUZTYWLYCRRC-UHFFFAOYSA-N 313.386 2.060 0 40 DEAB COC(=O)CCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 65610089 BTWVTSBMQQMJDO-ZDUSSCGKSA-N 301.745 2.416 0 40 DEAB CCOC(=O)Cc1nnc(NC(=O)c2cccc(F)c2)s1 5501279 RHXWBXVDSAUYGL-UHFFFAOYSA-N 309.322 2.035 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1noc(C(C)C)n1 69848549 UHWPUVXARQYPSN-KBPBESRZSA-N 306.410 2.168 0 40 DEAB OC[C@@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1 14766617 FRNHRFBXXJTMFK-QZTJIDSGSA-N 302.370 2.142 0 40 DEAB O=C(Cn1c(=O)oc2ccc(Cl)cc21)NCc1ccco1 6759159 CIIKCXHTFPCKLY-UHFFFAOYSA-N 306.705 2.157 0 40 DEAB COc1cccc(CNC(=O)COC(=O)c2ccccc2C)c1 6914373 KSTGQMHRHJLJFW-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB COc1ccc2c(c1)CN(c1ncnc3nc(N)ccc13)CC2 90073400 HBIXFTJVGBZLFK-UHFFFAOYSA-N 307.357 2.178 0 40 DEAB CCCn1c(=O)c2ccccc2n2c(SCCOC)nnc12 18260382 QTHVNNRUPQBVOH-UHFFFAOYSA-N 318.402 2.193 0 40 DEAB Cc1ccc(NC(=O)C(=O)Nc2cnc3[nH]nc(C)c3c2)cc1 90408497 SLAOKRMLJBZMKT-UHFFFAOYSA-N 309.329 2.152 0 40 DEAB COc1ccc(CNC(=O)[C@@H](NC(C)=O)C2CCCC2)cc1 16469911 HQNJXRLAFVLGFA-INIZCTEOSA-N 304.390 2.006 0 40 DEAB O=C(NCC1(O)CCSCC1)c1ccc2[nH]c(=S)oc2c1 81484884 ISSYSBMTQUNODD-UHFFFAOYSA-N 324.427 2.478 0 40 DEAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N1CCCCCC1 8121303 ZQRCADPMZOEFGC-UHFFFAOYSA-N 321.396 2.099 0 40 DEAB CC(C)c1cc(CN[C@H](C)c2ccc(S(N)(=O)=O)cc2)on1 91339851 FCIBNPQADIQSEE-LLVKDONJSA-N 323.418 2.296 0 40 DEAB O=C(CN1CCCCC1=O)N[C@H](c1ccccc1)c1ccncc1 97262748 QNSFOKBXAAIGRU-LJQANCHMSA-N 323.396 2.300 0 40 DEAB COc1ncnc2c1CN(C[C@H](O)c1ccc(Cl)cc1)CC2 97201904 XBSNKNOJOZBZNF-HNNXBMFYSA-N 319.792 2.230 0 40 DEAB Cc1nc(-c2ccccc2)ncc1-c1nc(-c2nc[nH]n2)no1 97228248 AHVTWTWWROIAOE-UHFFFAOYSA-N 305.301 2.287 0 40 DEAB CN(Cc1ncc[nH]1)[C@H](CO)c1cccc(Br)c1 97230440 LXELMOQHMYCHCY-GFCCVEGCSA-N 310.195 2.338 0 40 DEAB Cc1ccnc([C@@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C2CC2)n1 97376513 KFNGYDVRNZSBOS-JKSUJKDBSA-N 314.433 2.227 0 40 DEAB CN(C(=O)c1csc([C@H]2CCCO2)n1)[C@H](CO)C(C)(C)C 97374781 RYHWGLHSZUGVRB-VXGBXAGGSA-N 312.435 2.474 0 40 DEAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H]2c2cnn(C)c2)o1 71799340 YMWDUQGQSSBOAD-INIZCTEOSA-N 316.405 2.117 0 40 DEAB Cc1cc(CN2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)no1 71835141 UIIWFPIQDHGABH-CABCVRRESA-N 315.373 2.024 0 40 DEAB O[C@@H](COCc1ccccc1F)Cn1cc(-n2cccc2)cn1 95438871 CCGDLBQGUTWWGO-MRXNPFEDSA-N 315.348 2.391 0 40 DEAB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)n2cncn2)n1 72281660 JOZZIXWZBHGDFM-NWDGAFQWSA-N 305.407 2.358 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CCc3cscn3)C2)no1 72231715 FSLSUZQVTNEDFC-LLVKDONJSA-N 306.391 2.173 0 40 DEAB Cc1nonc1C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1 95435503 HIAUNEMCLSQGKG-OCCSQVGLSA-N 301.346 2.276 0 40 DEAB COC(=O)c1occc1[C@@H]1NC2(CCCC2)C(=O)N1CC1CC1 95408367 CWLXHRIQAOWSAE-CQSZACIVSA-N 318.373 2.219 0 40 DEAB CCOc1c(Cl)cc(/C=C/C(=O)NCCCO)cc1OC 84802855 ZBLCDQMHXXUMSC-AATRIKPKSA-N 313.781 2.259 0 40 DEAB CN1CCO[C@@H](C(=O)N[C@@H]2CCCOc3c(Cl)cccc32)C1 95987472 KEUOPBIZYUBJDB-ZIAGYGMSSA-N 324.808 2.001 0 40 DEAB O=C(NCc1ccccc1OCCO)N1C[C@@H]2CC=CC[C@H]2C1 74434926 PPQNZJYGOVNEJZ-HOTGVXAUSA-N 316.401 2.165 0 40 DEAB C[C@H](NC1CCC(O)CC1)[C@@H](c1ccccc1)N1CCOCC1 89598521 OCLXIWYYVLSODH-RXQRSOPUSA-N 318.461 2.342 0 40 DEAB Cc1[nH]ncc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 89544438 FFMKJHQAXZJCRK-GFCCVEGCSA-N 301.371 2.396 0 40 DEAB FC(F)(F)[C@@H]1CCc2nnc(CNC3CCSCC3)n2C1 89598108 PXIKFVOSKKFXHF-SECBINFHSA-N 320.384 2.388 0 40 DEAB C[C@@H](O)CN1CCN(CCCc2nc3ccccc3o2)C[C@H]1C 75129367 RLBLIDKWVLZHFO-HUUCEWRRSA-N 317.433 2.147 0 40 DEAB Cc1nc(CNC(=O)Nc2ccccc2OCC(F)F)no1 89718390 FAWVQPSDBPVLBN-UHFFFAOYSA-N 312.276 2.344 0 40 DEAB OCCN(Cc1cccnc1)c1ccc(Br)cn1 89793991 ZXFQPKZMZSAXCJ-UHFFFAOYSA-N 308.179 2.238 0 40 DEAB Cn1ccc(C(=O)N[C@@H]2CCCC[C@H]2OC2CCCC2)cc1=O 89858530 JSFZUIUBZLIWHU-HZPDHXFCSA-N 318.417 2.386 0 40 DEAB C[C@@H](CNC(=O)CCOc1ccc(F)cc1Cl)[S@](C)=O 89900675 LCGHIZBVEMBYOA-GWNMQOMSSA-N 321.801 2.131 0 40 DEAB Fc1cc(Br)ccc1OCCN1CCOCC1 34644700 BXYPKBBFDZHQHV-UHFFFAOYSA-N 304.159 2.299 0 40 DEAB Cc1cccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1 32754318 DKKOPTIYTBHRMR-UHFFFAOYSA-N 304.371 2.036 0 40 DEAB CC(C)CN1c2ccccc2C2(CCN(C)CC2)S1(=O)=O 306144797 ZOSLGVSAKXNQGF-UHFFFAOYSA-N 308.447 2.413 0 40 DEAB O[C@@]1(CN[C@@H](c2ccc(F)cc2)c2ncc[nH]2)CCSC1 188105307 BTTPTXCWSZTZKR-DZGCQCFKSA-N 307.394 2.096 0 40 DEAB O=C1CCC(=O)N1Cc1csc(NCc2ccccc2)n1 211138067 PGKLGPHGZUGEFU-UHFFFAOYSA-N 301.371 2.404 0 40 DEAB CN(C(=O)[C@H]1COCC(=O)N1Cc1ccccc1)c1ccccc1 70641387 CHRNQQAUBCIFNJ-QGZVFWFLSA-N 324.380 2.077 0 40 DEAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)NCC(F)(F)F 32876784 LSIHNMDUDAHACO-ZCFIWIBFSA-N 321.280 2.489 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H](c2cnccn2)C1 72363714 VVQFGOSWVIAOCN-GFCCVEGCSA-N 321.377 2.184 0 40 DEAB COc1ncccc1C(=O)Nc1cccnc1-n1ccnc1C 79351928 RRSABOBTXZVAQQ-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB Cc1nnc2ccc(N[C@H]3C[C@H](C)N(c4ccccc4)C3=O)nn12 78461397 MIMCWGHMXQQCJH-FZMZJTMJSA-N 322.372 2.039 0 40 DEAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 76959625 VYRNVQSRTXFVSZ-MEDUHNTESA-N 317.364 2.147 0 40 DEAB CCCCOCc1cc(C(=O)N2CCOCC2)ccc1OC 224440778 ZWPCJACWOFLHFW-UHFFFAOYSA-N 307.390 2.484 0 40 DEAB CN1CC[C@@H](NC(=O)Nc2cnns2)[C@@H]1c1ccccc1 192326282 NDRONUWWVJEILM-YPMHNXCESA-N 303.391 2.105 0 40 DEAB CCOC(=O)CCN(C)C(=O)c1ccc2[nH]c(Cl)nc2c1 225978528 QRQXTUQSGHFAOP-UHFFFAOYSA-N 309.753 2.242 0 40 DEAB Cc1c(CN(C)C(=O)NC[C@@H]2CCCC2(F)F)cnn1C 573658653 PUKLNZHMYUJYNV-LBPRGKRZSA-N 300.353 2.305 0 40 DEAB CO[C@@H]1C[C@@H](c2nncn2C)N(c2nc3ccccc3nc2C)C1 573941528 YTSYNKREYLTVCR-DOMZBBRYSA-N 324.388 2.033 0 40 DEAB CCCc1noc([C@@H]2CCCCN2C(=O)c2ccnn2C)n1 41123320 QFYGHMTWYQTSOX-NSHDSACASA-N 303.366 2.123 0 40 DEAB COc1ccc2cc(C(=O)NCc3ccncc3)c(=O)oc2c1 226042642 WIURUNPFRXAJQI-UHFFFAOYSA-N 310.309 2.127 0 40 DEAB CC(C)(C)N(Cc1ccc(F)cc1)C[C@H](O)CN1CCCC1=O 195540115 IWHQWOVHKHTWKM-MRXNPFEDSA-N 322.424 2.410 0 40 DEAB CC(C)C(=O)N1CCN(Cn2cnc3cc(F)c(F)cc32)CC1 43589570 TTYPLNFJLBIVDX-UHFFFAOYSA-N 322.359 2.072 0 40 DEAB CC(=O)NCc1ccc(C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1 96411110 RSOVPMUACKLVRT-RYUDHWBXSA-N 306.431 2.289 0 40 DEAB O=S(=O)(NCCOc1ccc(Cl)cn1)c1cccs1 96472855 RHPFKFONCSDRQP-UHFFFAOYSA-N 318.807 2.154 0 40 DEAB CNC(=O)CCOC(=O)c1cc(Br)ccc1C 96452539 XXTAZXGRGSCLTO-UHFFFAOYSA-N 300.152 2.050 0 40 DEAB Cc1ccoc1C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 96064011 YWKNKUDBLZORQF-JKSUJKDBSA-N 311.385 2.472 0 40 DEAB CC[C@@](C)(NCC(=O)NCc1cccnc1)c1nccs1 96443440 MQCOQKCZBDIYQH-OAHLLOKOSA-N 304.419 2.069 0 40 DEAB CN(C)CCN1CCC2(CCN(Cc3cccs3)CC2)C1=O 96046782 OOXYASALSISHKW-UHFFFAOYSA-N 321.490 2.124 0 40 DEAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H]1c1cnccn1 257274706 NMGMODRWTSTQKD-MRXNPFEDSA-N 320.356 2.035 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)s1 257213411 CHMGHMGNGYBVJT-LLVKDONJSA-N 318.402 2.275 0 40 DEAB COCc1ncsc1C(=O)NCCN(C)C1CCCCC1 253415321 SZRXBYIVGIHPOV-UHFFFAOYSA-N 311.451 2.284 0 40 DEAB CC(C)N1CCC(Cc2cc(N3C[C@@H](C)OC3=O)ncn2)CC1 257284557 PDDBHPQMZHFIIE-CYBMUJFWSA-N 318.421 2.485 0 40 DEAB Cc1cc(O)cc([C@H]2CN(C(=O)Cc3ccccc3)CCO2)n1 257310711 UGFDVARHKUNSHZ-QGZVFWFLSA-N 312.369 2.238 0 40 DEAB CC(=O)N1CCC[C@](C)(c2cn3cccc3c(N(C)C)n2)C1 257271078 MWSITROLJOJUID-KRWDZBQOSA-N 300.406 2.300 0 40 DEAB CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1ncccc1C 257282896 OVTKRCMGFMPAEO-QAPCUYQASA-N 315.417 2.396 0 40 DEAB CSc1ccccc1NC(=O)c1ccc(-n2cncn2)nn1 96097843 RBNZMPGCECKMLJ-UHFFFAOYSA-N 312.358 2.032 0 40 DEAB CNC(=O)/C=C/CNC(=O)c1ccc(-c2cccc(OC)c2)cc1 575617697 FXFXTWYHWMJTGY-QPJJXVBHSA-N 324.380 2.394 0 40 DEAB NC(=O)CC[C@@]1(O)CCCN(Cc2ccc(F)cc2Cl)C1 585278237 OFVQAJKUCHHNDD-HNNXBMFYSA-N 314.788 2.072 0 40 DEAB Cc1ccccc1C[C@H]1CCN(C(=O)Cc2cccnc2)C[C@H]1O 585279999 VKYWKAOFWOLZBA-RTBURBONSA-N 324.424 2.385 0 40 DEAB COCCOCCCNS(=O)(=O)c1ccc(C(C)C)cc1 52782656 CKVUBYPHADTMPP-UHFFFAOYSA-N 315.435 2.141 0 40 DEAB Cc1cnn(-c2ccc(C(=O)O[C@H]3C[C@H](C)OC3=O)cc2)c1 53889153 CBQSLMLOCKHIMV-FZMZJTMJSA-N 300.314 2.042 0 40 DEAB C[C@@H](CC(=O)NS(=O)(=O)c1cccnc1)C1CCCCC1 69591001 OYVFMRRIAKGWQR-LBPRGKRZSA-N 310.419 2.493 0 40 DEAB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NCCC1=CCCCC1 102636526 HSDCBUWHBBOGOR-GJZGRUSLSA-N 318.417 2.168 0 40 DEAB CC[C@@H](C)NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 5030699 RAFZSAMBTIKINB-MEBBXXQBSA-N 306.362 2.112 0 40 DEAB CC(C)(C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 5726625 ZJPNYXNTBPZTJA-UHFFFAOYSA-N 318.826 2.021 0 40 DEAB O=C(O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 11689966 AZLNVQQEXFVXAA-CQSZACIVSA-N 311.293 2.105 0 40 DEAB biogenic NC(=S)c1cc(Br)cc(Br)c1N 11757525 BVIJDVKBQZWPHJ-UHFFFAOYSA-N 310.014 2.428 0 40 DEAB COCC(=O)N1CCC[C@@H](c2nc(C)n3c(C)csc23)C1 19240424 VREFLWFXNIHJEU-GFCCVEGCSA-N 307.419 2.365 0 40 DEAB CN(C)CC(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19581747 VGUGUPZLXSFDTI-UHFFFAOYSA-N 312.417 2.085 0 40 DEAB CCc1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1 19936365 XUWCBCCCOBMECQ-UHFFFAOYSA-N 318.354 2.484 0 40 DEAB Cc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1 25245020 RCUUEBRJCJKLJL-UHFFFAOYSA-N 303.387 2.051 0 40 DEAB C[C@H]1CN(CCC(=O)Nc2ccnn2C2CCCC2)C[C@H](C)O1 28842786 BIUAWPJPAVYQCW-KBPBESRZSA-N 320.437 2.436 0 40 DEAB CN1Cc2nccn2C[C@@]12CCN(C(=O)[C@@]1(C)CC=CCC1)C2 2055772951 BVLIUDDDVONCIT-ZWKOTPCHSA-N 314.433 2.046 0 40 DEAB O=C(Nc1ccccn1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 23135630 AJONAIHEAWYUSV-UHFFFAOYSA-N 324.315 2.078 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCc3nc(N(C)C)ncc3C2)c(C)o1 585150158 ADBYKLSZBZTEET-ZDUSSCGKSA-N 314.389 2.040 0 40 DEAB O=C1N/C(=C/c2ccccc2)C(=O)N2Cc3ccccc3C[C@H]12 8516012 YDSGWHFNXFXULX-BRVCPTFNSA-N 304.349 2.111 0 40 DEAB C[C@H]1CCc2sc(C(=O)N3CCC(C(N)=O)CC3)cc2C1 20901754 CHPVUNJEMRXVEP-JTQLQIEISA-N 306.431 2.210 0 40 DEAB CC(=O)N1CCN(C(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)CC1 32873676 UXIVAOCEFFUPSJ-YABQJVKDSA-N 302.374 2.107 0 40 DEAB CCCCN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CCS(=O)(=O)C1 102640006 SKVGLYWUVPWDAW-AJNGGQMLSA-N 311.447 2.014 0 40 DEAB COC[C@@H]1CN(C(=O)NC[C@@H](C)c2cccc(C)c2)CCO1 76088584 GUFHLYKYCVLXGX-ZBFHGGJFSA-N 306.406 2.155 0 40 DEAB COc1ccc(CC(=O)NC[C@](C)(O)c2ccc(C)o2)cc1 76086886 DQDCJRIDMIUBGV-KRWDZBQOSA-N 303.358 2.163 0 40 DEAB Cc1ccccc1CC(=O)NCc1nncn1-c1ccccc1 32912056 KUCMNIZISPDQPT-UHFFFAOYSA-N 306.369 2.435 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2C[C@H](C)[C@@H](N(C)C)C2)c1 78894517 CFVSJHPZYGKMET-GUYCJALGSA-N 315.417 2.058 0 40 DEAB C[C@H]1CCC[C@H](CNC(=O)COc2ccc(C(N)=O)cc2)C1 79085203 HCOQNXGPCWSXTI-STQMWFEESA-N 304.390 2.107 0 40 DEAB Cc1n[nH]c(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1C 102868495 KVRJFFMTONQVAV-UHFFFAOYSA-N 312.373 2.401 0 40 DEAB C[C@@H]1CN(C(=O)COC(=O)c2cc3ccccc3o2)C[C@@H](C)O1 4362526 BFBXZHPVSUVFEI-VXGBXAGGSA-N 317.341 2.225 0 40 DEAB COC(=O)c1cn(CC(=O)NC2CCCC2)c2ccccc12 555701 CGAQEWWVHSJTCK-UHFFFAOYSA-N 300.358 2.487 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)[C@H](C)NC(=O)Nc1ccccc1 53429393 LTZBIFKYQCSMCC-DZGCQCFKSA-N 319.405 2.224 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100950269 YXLNLAMPLZWYKF-MCIONIFRSA-N 322.430 2.419 0 40 DEAB COc1ccc([C@H](C)NC(=O)Nc2nncs2)cc1OC 47149408 QGKUORTXCNMHBK-QMMMGPOBSA-N 308.363 2.438 0 40 DEAB NC(=O)c1ccc(NCc2nc(Cc3ccccc3)no2)cc1 42790057 PBOYBYJVBZLNII-UHFFFAOYSA-N 308.341 2.371 0 40 DEAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1nnc(C(C)C)s1 47413518 LGEPFRHRZWTPFR-SNVBAGLBSA-N 310.423 2.391 0 40 DEAB COCCN(CCOC)C(=O)Cc1c(C)[nH]c2ccccc12 24537805 PISGNXAPOIKYDV-UHFFFAOYSA-N 304.390 2.140 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@H](C)OC[C@@H]1C 55259308 VECDGTXTAGUJML-UWVGGRQHSA-N 318.402 2.158 0 40 DEAB O=C(Nc1c[nH]ccc1=O)c1cnn(-c2cccc(Cl)c2)c1 56543977 PTEZMOAERXDNOW-UHFFFAOYSA-N 314.732 2.466 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)N[C@H]1CCOc2ccccc21 47865819 TTYMXIUJFTUULZ-OCCSQVGLSA-N 300.362 2.095 0 40 DEAB CCC(=O)c1ccc(OCC(=O)NC[C@H]2CCCN2CC)cc1 44670912 XWWXOEQHVHCDLT-OAHLLOKOSA-N 318.417 2.259 0 40 DEAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 10221458 DXWZHLWNQIAVQY-HIFRSBDPSA-N 317.433 2.308 0 40 DEAB CC(C)Cc1noc(CN2CCC[C@@H](C(=O)NCC3CC3)C2)n1 44950528 HSTSIPDBRNXFIE-CQSZACIVSA-N 320.437 2.006 0 40 DEAB c1cc(CNc2ccc3nncn3n2)cc(CN2CCCC2)c1 48261459 AAKCMORNMSSPBB-UHFFFAOYSA-N 308.389 2.332 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(F)c(F)cc1Cl 58304603 IVGQCRLTFGAUSR-JGVFFNPUSA-N 316.735 2.344 0 40 DEAB O=C(NC1CC1)c1cc(=O)c(OCc2ccccc2F)co1 36353652 ZQEZXAZHYUICRV-UHFFFAOYSA-N 303.289 2.250 0 40 DEAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)/N=c1/sccn1C 22992626 LNHPIUAPMGHJMR-KTEBKFLVSA-N 323.443 2.030 0 40 DEAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)c1cc(F)ccc1F 48367805 HKIBUSCDHXZNNB-ZDUSSCGKSA-N 309.312 2.318 0 40 DEAB C[C@H]1C[C@H]1c1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)o1 48303272 QYJDGHXPTQPCTO-WCQYABFASA-N 319.405 2.165 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1cc(F)ccc1F 3447952 ZBMUOKBEJDSKHE-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB CC(=O)c1ccc(OCCCC(=O)NC2=NCCS2)cc1 3441099 LVNSHJHTBSWJQG-UHFFFAOYSA-N 306.387 2.267 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)c1cnc(C3CC3)s1)C2 69841443 AFIWBYAGZLXHJD-UHFFFAOYSA-N 317.418 2.391 0 40 DEAB COC(=O)c1cnc(NC(=O)c2cc(OC)cc(OC)c2)s1 8775808 OGPYZEOQRKBBGX-UHFFFAOYSA-N 322.342 2.199 0 40 DEAB CCCc1cc(=O)oc2cc(OCc3nn[nH]n3)c(Cl)cc12 13804867 MCHSBJIWBTYFIA-UHFFFAOYSA-N 320.736 2.491 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCc1cccc(OC)c1)C(=O)OC 4301376 CNWMWEBFBACSHP-FZMZJTMJSA-N 308.378 2.082 0 40 DEAB C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1ccc(C(N)=O)cc1 6291363 HDSAVWJMBQJSKD-DGCLKSJQSA-N 316.357 2.012 0 40 DEAB COc1ccccc1[C@H](O)CNCc1cnn(C(C)(C)C)c1 65487478 RULMLFNLGXBZPQ-OAHLLOKOSA-N 303.406 2.470 0 40 DEAB CCCNC(=O)N(CC)CC(=O)NCc1ccc(Cl)cc1 6602559 HITIUVNNPSFQNV-UHFFFAOYSA-N 311.813 2.398 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)[C@H]2CCCN(C(N)=O)C2)c(C)c1 66445696 SQGJQPRKDQIAPS-ZBFHGGJFSA-N 317.433 2.141 0 40 DEAB CNC(=O)NC(=O)[C@H](C)Sc1ccc(Br)cc1 4836724 BSIINEYQCTWIAK-ZETCQYMHSA-N 317.208 2.385 0 40 DEAB Cn1c(CNCCC(=O)N2CCCCC2)nc2ccccc21 66973395 IBTOMCRHMMAOFI-UHFFFAOYSA-N 300.406 2.066 0 40 DEAB CCCc1nc(Cn2c(NC[C@@H](C)O)nc3ccccc32)no1 67096544 JPYKOOLZYZIZIY-LLVKDONJSA-N 315.377 2.213 0 40 DEAB Cc1ccc([C@@H](CNC(=O)COc2ccccc2)N(C)C)o1 15860106 ILDHUYDSZHLCGB-OAHLLOKOSA-N 302.374 2.386 0 40 DEAB O=C1[C@H](NC2Cc3ccccc3C2)CCCN1CC(F)(F)F 90591104 LEHMSUGXNRERFW-CQSZACIVSA-N 312.335 2.297 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)NC(=O)CS2 16974820 MJVQISDIRWVJEY-UHFFFAOYSA-N 316.386 2.333 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1ccccn1 69388092 LTBABQWHZATGTB-GFCCVEGCSA-N 323.418 2.008 0 40 DEAB O=C(c1ccncc1F)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F 91760423 WKVRPCKCIDLYKH-BONVTDFDSA-N 322.286 2.447 0 40 DEAB CCOC(=O)c1cnn([C@H]2CCCN(CC(F)(F)F)C2)c1 91815476 ZRENATZOUIIYQV-NSHDSACASA-N 305.300 2.259 0 40 DEAB CCOC(=O)CN(CC)C(=O)Cc1ccc(OC(F)F)cc1 97497285 OLLCKAPJGUEABD-UHFFFAOYSA-N 315.316 2.242 0 40 DEAB C[C@@H]1CN(C(=O)CN(CCC(F)(F)F)C2CCC2)C[C@@H](C)O1 84691605 KVNRVIWYGZEBIV-VXGBXAGGSA-N 322.371 2.429 0 40 DEAB C[C@@H](COc1ccccc1F)NC(=O)NCc1cccn1C 95404523 BBNBGOTYFQUDBM-LBPRGKRZSA-N 305.353 2.431 0 40 DEAB CNC(=O)c1ccc(CN(C)C[C@@H](O)c2cc(C)ccc2C)o1 95404851 IZGPKYJWJWOJPY-MRXNPFEDSA-N 316.401 2.421 0 40 DEAB C[C@@H](NCc1noc(C2CC2)n1)c1ccc2c(c1)NC(=O)CO2 95984463 ZAIFZQRXVLBHCZ-SECBINFHSA-N 314.345 2.129 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)N[C@H](C)[C@@H](C)CO 95984921 LDAOQRIKWFBIMR-QWHCGFSZSA-N 302.378 2.319 0 40 DEAB OCC(CO)N[C@@H]1CCCc2cc(SC(F)F)ccc21 95985046 WFNKEPUXDGVVDS-CYBMUJFWSA-N 303.374 2.322 0 40 DEAB CCC[C@@H]1SCCN1C(=O)c1cnc2sccn2c1=O 89950103 YYICYTRMPLCVBG-JTQLQIEISA-N 309.416 2.071 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2noc(C(C)C)n2)on1 75581711 NVYSALWEILATMH-LLVKDONJSA-N 319.365 2.265 0 40 DEAB Cc1cccc(CC(=O)Nc2ccc(OCC(N)=O)cc2C)c1 75582413 CTIQVPMBUPUMJN-UHFFFAOYSA-N 312.369 2.349 0 40 DEAB O=C(COCC(F)(F)F)Nc1nc(-c2ccccc2F)n[nH]1 75610084 XUPBGEUWXBMIFR-UHFFFAOYSA-N 318.230 2.128 0 40 DEAB OCc1ccnc(N2CCC[C@]3(C=Cc4ccccc4O3)C2)n1 1548452845 ADQQXEKLMRBIAV-SFHVURJKSA-N 309.369 2.414 0 40 DEAB COc1ccc(Cl)cc1Nc1nc2nonc2n2cnnc12 408972444 BWJZHUQCNDQXQC-UHFFFAOYSA-N 317.696 2.066 0 40 DEAB O=C(Cc1c(F)cccc1Cl)Nc1c[nH]nc1[C@H]1CCNC1 1549748611 XZFRSVCRXBDRDF-VIFPVBQESA-N 322.771 2.460 0 40 DEAB CCCCn1c(O)nc2c(-c3ccccn3)nsc2c1=O 67350278 LWWUUFNTGJXENM-UHFFFAOYSA-N 302.359 2.421 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)c1cccc(Cl)c1 79052125 BDXNAMRWRBZDDN-UHFFFAOYSA-N 303.811 2.283 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccco2)C1 215747459 VONCPENVVZDUOZ-ZYHUDNBSSA-N 310.350 2.004 0 40 DEAB Cc1nonc1C(=O)Nc1cnn(Cc2ccccc2F)c1 72264867 XQIBROUBFLCYGO-UHFFFAOYSA-N 301.281 2.014 0 40 DEAB CC(C)c1noc(CCC(=O)Nc2nnc(C3CC3)s2)n1 30717471 UJTSDMYYXZHXOC-UHFFFAOYSA-N 307.379 2.493 0 40 DEAB O=C(CS(=O)(=O)CCCc1ccccc1)Nc1nccs1 32481455 SYBYLSCMVXGTTR-UHFFFAOYSA-N 324.427 2.129 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2CCCS(C)(=O)=O)c1 75838567 XVDPTWARCYMBBW-MRXNPFEDSA-N 310.463 2.324 0 40 DEAB Cc1cc(Nc2ccccn2)nc([C@H]2CCCN(CCO)C2)n1 72359952 UTEFZZHDOYLYOK-AWEZNQCLSA-N 313.405 2.095 0 40 DEAB NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)cc2c1CCC2 78553980 XCYGUUYPUKWHGI-UHFFFAOYSA-N 316.382 2.075 0 40 DEAB Cc1nnnn1-c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)cc1 563227084 VGQKASCRRUTWJL-BBRMVZONSA-N 311.389 2.375 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 45952487 GHMVORSNTJYTBM-SECBINFHSA-N 312.163 2.365 0 40 DEAB O=S1CCN(CCOc2ccc(OC(F)(F)F)cc2)CC1 80628495 QAWBJRMDVSRUKO-UHFFFAOYSA-N 323.336 2.028 0 40 DEAB C[C@@H](CCc1ccc(O)cc1)NCC1CCS(=O)(=O)CC1 136673983 PYFYODBKECSVNT-ZDUSSCGKSA-N 311.447 2.128 0 40 DEAB Cc1csc(CN(C2CC2)S(=O)(=O)c2cccnc2)n1 88510750 PKYJHOBJOWINBF-UHFFFAOYSA-N 309.416 2.200 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)Oc2cccc3c2CCCC3)C1 80387195 ABUCXVFWSKOAIV-CYBMUJFWSA-N 302.374 2.262 0 40 DEAB Cc1cccc(NC(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c1F 192097493 SVXDSPIHUBOKHQ-JTQLQIEISA-N 314.382 2.033 0 40 DEAB COc1ccc(CC(=O)N2CCC3(CC2)C[C@H](OC)CO3)cc1 96158787 AESJFEDBCZDNCC-INIZCTEOSA-N 319.401 2.034 0 40 DEAB CCCN1CCCC[C@@H]1C(=O)NC[C@](C)(O)c1ccsc1 96450365 NLFRIQFHVKXUMC-ZBFHGGJFSA-N 310.463 2.336 0 40 DEAB O=C(c1ccn(C2CCCC2)n1)N1CCC(n2ccnn2)CC1 96487045 BNJYZBGYQGBLKP-UHFFFAOYSA-N 314.393 2.067 0 40 DEAB O=C(NCCN1CCOCC1)[C@H]1C[C@@H]1c1cccc2ccccc12 96404789 UIVLHRXUMLHMEP-MOPGFXCFSA-N 324.424 2.392 0 40 DEAB Cc1cc(C)c(-c2cc(NC(=O)CCC(=O)O)n[nH]2)cc1C 579471728 UMCDODJERSXXTH-UHFFFAOYSA-N 301.346 2.805 0 40 DEAB O=C(Cc1ccccc1O)N[C@@H]1CCN(CC2CCCC2)C1 96441088 DLALYCCPAGHDBG-MRXNPFEDSA-N 302.418 2.315 0 40 DEAB CC(C)[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](N)[C@H](c2cccc(F)c2)C1 333760893 AKWZMVZCCUQGGV-TWMKSMIVSA-N 320.408 2.140 0 40 DEAB CC(C)c1cc(C(=O)OCCNC(=O)c2ccccc2)n[nH]1 96442807 GUJLKUFWDZTMHD-UHFFFAOYSA-N 301.346 2.120 0 40 DEAB CCO[C@H]1CCN(S(=O)(=O)C2CC2)[C@H]1Cc1ccccc1 96069916 USJLENGXEFNQJQ-HOTGVXAUSA-N 309.431 2.201 0 40 DEAB O=C(c1cscn1)N1CCN(c2ccncc2Cl)CC1 95437741 XETFWNNPVYAUQL-UHFFFAOYSA-N 308.794 2.154 0 40 DEAB Cc1nc(CO[C@@H]2CN(C(C)C)Cc3ccnn3C2)cs1 248073434 YWNLXCVRNGHCOF-OAHLLOKOSA-N 306.435 2.457 0 40 DEAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1ccccn1 257298311 RLDYULAPNGKQCY-RDJZCZTQSA-N 301.390 2.087 0 40 DEAB c1ccc(O[C@H]2CSC3(C2)CN(CC2CCOCC2)C3)nc1 253480459 WWWMHNZBRYASHE-OAHLLOKOSA-N 320.458 2.447 0 40 DEAB Nc1cccc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257248763 JFCOCXBDSQMJHI-SCOAYWHSSA-N 309.369 2.277 0 40 DEAB Cc1ncc(CN2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)cn1 257266275 MCGNWHLCDLNYTR-OAHLLOKOSA-N 308.389 2.436 0 40 DEAB Cc1nccc(N2CCCC[C@H]2c2cc(O)n3ccnc3n2)n1 257311074 UHUYIEADHRONJW-ZDUSSCGKSA-N 310.361 2.265 0 40 DEAB O=C(Cc1noc2ccccc12)Nc1cnn([C@H]2CCOC2)c1 96123013 MMXJFNJVRCRBPM-LBPRGKRZSA-N 312.329 2.167 0 40 DEAB O=C1CC[C@@]2(CCCN(Cc3cccnc3)CC2)N1CCF 585100769 VZUPRJRGDZBCDS-QGZVFWFLSA-N 305.397 2.398 0 40 DEAB CC(C)n1cc(Br)cc1C(=O)N1CCNC[C@H]1C 54370792 ZOAPWMVEVZKGFG-SNVBAGLBSA-N 314.227 2.265 0 40 DEAB O=C1C[C@@H](C(=O)NC2(C(=O)O)CCCCC2)c2ccccc2N1 69947158 XSWLVCSZKOQLQZ-GFCCVEGCSA-N 316.357 2.016 0 40 DEAB CCc1cc(C)c(C(=O)N[C@H](CO)Cc2ccc(O)cc2)o1 95993360 WXHSERRVZBBUSD-ZDUSSCGKSA-N 303.358 2.189 0 40 DEAB O=C1CCC[C@]2(CN(C3CCOCC3)C[C@@H]2c2ccccc2)N1 1615119387 FVLHZJVBRKBIEN-IEBWSBKVSA-N 314.429 2.304 0 40 DEAB COC(=O)c1sccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 13321330 GPPOSTGGXNZMDD-IFFSRLJSSA-N 323.370 2.220 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)ccc2C)c1 15269482 JFEAYQDSYKDVGD-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB CC(=O)N1CC[C@](Cc2ccc(-c3ccncc3)cc2)(C(N)=O)C1 19016407 SUAXLCMZKXXWFR-LJQANCHMSA-N 323.396 2.015 0 40 DEAB COc1cccc(C(=O)NCCc2csc(C)n2)c1OC 29500340 HMGFRIQIMBWGRS-UHFFFAOYSA-N 306.387 2.441 0 40 DEAB O=S(=O)(c1ccccc1)C1CCN(c2ncc(F)cn2)CC1 1776007994 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COc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cc1 800659 QZIUYCNGANKWHR-CYBMUJFWSA-N 316.401 2.497 0 40 DEAB COc1cccc(Cl)c1CC(=O)N(CC(N)=O)C1CCCC1 97142226 NTZWGMLZTSRQSH-UHFFFAOYSA-N 324.808 2.148 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1 57327757 WKKQFQOXMPZYFM-ZCFIWIBFSA-N 304.129 2.225 0 40 DEAB CCc1cc2c(N3CCCN(C(C)=O)CC3)ncnc2s1 24059950 BDCUSVNNXDWQRB-UHFFFAOYSA-N 304.419 2.312 0 40 DEAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 24545881 JTNCAAKKVYALPE-SECBINFHSA-N 315.304 2.401 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1ccc(Cl)cc1Cl 24750282 JMFGBSKOGSZKGM-UHFFFAOYSA-N 311.172 2.461 0 40 DEAB CS(=O)(=O)Nc1ccccc1NC(=O)CCc1ccco1 24891061 VLXHCFOEKFLEBH-UHFFFAOYSA-N 308.359 2.222 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1F 106779054 UFWYNZBGWAMSGS-JKSUJKDBSA-N 320.408 2.462 0 40 DEAB CN(CCN(C)c1ccccc1)C[C@@H](O)COc1ccccc1 107351556 JOVRHCPTWRYSQQ-GOSISDBHSA-N 314.429 2.495 0 40 DEAB COC(=O)c1ccc(F)c(NS(=O)(=O)c2cccs2)c1 26238160 RVASYGXDHSTJJM-UHFFFAOYSA-N 315.347 2.475 0 40 DEAB CCN(CCN1C(=O)NC(C)(C)C1=O)Cc1cccc(Cl)c1 47959104 UUVFMVTWPDPNJG-UHFFFAOYSA-N 323.824 2.492 0 40 DEAB CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c1ccccc1 58158363 KIMGHKQIZCRFAU-INIZCTEOSA-N 319.449 2.132 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 44912956 SNSJESBNOSBXDY-KBPBESRZSA-N 314.389 2.033 0 40 DEAB O=C1COc2ccc(NC(=O)c3n[nH]c4ccccc34)cc2N1 25139484 RZWAGBDQSSDEKV-UHFFFAOYSA-N 308.297 2.146 0 40 DEAB O=C(NCc1cn2ccccc2n1)c1ccccc1-n1cccn1 45015306 VMYHDCDKNLCLBR-UHFFFAOYSA-N 317.352 2.450 0 40 DEAB CCOC(=O)[C@](NC(C)=O)(OCc1ccccc1)C(F)(F)F 2333922 LBHFGCRLLQQNJC-ZDUSSCGKSA-N 319.279 2.161 0 40 DEAB CCCSCC(=O)Nc1cc(S(=O)(=O)CC)ccc1O 48332715 NBEILSJDPBMOPI-UHFFFAOYSA-N 317.432 2.268 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(Cl)c1 4392732 VKWXIUURNVLNJA-MRVPVSSYSA-N 305.758 2.242 0 40 DEAB COC(=O)[C@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1 69614717 HSMUCUWKUDGKPG-CQSZACIVSA-N 317.366 2.258 0 40 DEAB CC(C)Oc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392698 YYLUHPZUQRNWKQ-GFCCVEGCSA-N 311.403 2.237 0 40 DEAB Cc1ccccc1CNC(=O)C[C@H](NC(N)=O)c1ccccc1 14491613 DLJXGGCJUZBXQC-INIZCTEOSA-N 311.385 2.411 0 40 DEAB CC(C)(C)c1ccc(=O)n(CC(=O)Nc2cccc(F)c2)n1 66264528 WFCPBLNKSKRTCT-UHFFFAOYSA-N 303.337 2.319 0 40 DEAB COCCCNC(=O)c1cccc(I)c1 5669778 YNTDIGJDPVAPLR-UHFFFAOYSA-N 319.142 2.058 0 40 DEAB CCNC(=O)CSc1nnnn1-c1cccc2ccccc12 71259813 PAUIDTVFFHGZDR-UHFFFAOYSA-N 313.386 2.044 0 40 DEAB Cc1nnnn1-c1cccc(C(=O)NCc2cccc(F)c2)c1 71285155 YNLDAAVJGGJIOF-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB O=C(O)CCc1nnc2c3cc(-c4ccccc4)nn3ccn12 67225216 GYSQOTRZEZJFIZ-UHFFFAOYSA-N 307.313 2.061 0 40 DEAB C[C@H](CNCc1cc(F)ccc1Br)[S@@](C)=O 90193584 BNVZUGVWPVTKAP-BCTVWOGZSA-N 308.216 2.445 0 40 DEAB Cc1noc(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 7475322 JVLBXTMVJSDBKV-UHFFFAOYSA-N 302.330 2.269 0 40 DEAB CC(C)(C)c1ccc(CN2CC[C@@H](NS(C)(=O)=O)C2)s1 93531245 VXOFIEUAMDQJNU-LLVKDONJSA-N 316.492 2.169 0 40 DEAB O=C1C[C@@H](C(=O)N2CCCCC2)CN1CCc1ccc(F)cc1 8246074 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CN1CCN(C2CCN(c3ncnc4sccc34)CC2)C1=O 72276404 IKTOGNILEIRFSJ-UHFFFAOYSA-N 317.418 2.028 0 40 DEAB CC(C)c1nc(CC(=O)N2CCC[C@H](n3cncn3)C2)cs1 72234871 VECFIOYZFGJJCI-ZDUSSCGKSA-N 319.434 2.264 0 40 DEAB OC[C@@H]1CCCN1c1cc(NCCc2cccs2)ncn1 72276004 AZNHCPNATATSRV-LBPRGKRZSA-N 304.419 2.154 0 40 DEAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H]1CC=CCC1 95437851 OIQDAYCKBBCPRE-HIFRSBDPSA-N 305.349 2.382 0 40 DEAB Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCN(C)CC1 95419182 CVJHGRZGNYFSNU-UHFFFAOYSA-N 310.401 2.230 0 40 DEAB O=C(NCCCCOc1ccccc1)c1nccn2ccnc12 95404074 OLZYXPYFGPAURN-UHFFFAOYSA-N 310.357 2.318 0 40 DEAB CC(=O)c1ccccc1C(=O)NC1CCN(c2ncccn2)CC1 95405505 ZNSVMMAVPLHEBO-UHFFFAOYSA-N 324.384 2.078 0 40 DEAB O=C(NCCc1ccccn1)N1CCN(c2cccs2)CC1 95411002 XBGLRRNXLLZMKJ-UHFFFAOYSA-N 316.430 2.217 0 40 DEAB O=C(NCc1ccnc(OC2CCC2)c1)[C@@H](O)c1ccccc1 95446126 ZGYLKAZWLNTLSA-KRWDZBQOSA-N 312.369 2.363 0 40 DEAB COC(=O)[C@@H](OC(=O)c1cc(Br)c[nH]1)C(C)C 95947662 PHOZQZKHIUPGQD-VIFPVBQESA-N 304.140 2.132 0 40 DEAB Cc1nc(-c2ccc(NC(=O)c3cnn(C)c3)cc2Cl)n[nH]1 95987205 VSSUZDNYDXLVDJ-UHFFFAOYSA-N 316.752 2.419 0 40 DEAB CN1CCC[C@H]1CCSc1nnc(-c2ccccn2)n1C 95975948 KDAJXRCQXIUREY-LBPRGKRZSA-N 303.435 2.454 0 40 DEAB Cc1cnc([C@@H](NC(=O)N2CCC[C@H](CO)C2)C2CC2)s1 74705133 REEVYCIRJHVTIZ-AAEUAGOBSA-N 309.435 2.317 0 40 DEAB O=C1CN(C(=O)C23CC4CC(CC(C4)C2)C3)CCN1C1CC1 74812514 DYNXMAQUOVKUDX-UHFFFAOYSA-N 302.418 2.036 0 40 DEAB Cc1cc(N[C@@H]2CCN(C3CC3)C2=O)nc(-c2ccccn2)n1 89600703 BVRUAPVFXADLLY-CQSZACIVSA-N 309.373 2.022 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1cccs1)N(C)C 22968723 DPQIZTADDSTIRD-CQSZACIVSA-N 320.462 2.060 0 40 DEAB CCC(=O)N1CC[C@@H](c2cc(Nc3nncs3)nc(C)n2)C1 72383850 XDRNKGKLEDGIMF-SNVBAGLBSA-N 318.406 2.106 0 40 DEAB O=[S@@]1[C@H]2CC[C@H]1CN(Cc1cccc3c1OCCCO3)CC2 529677326 PCRRGGBAFMUBJX-AYSMAOOMSA-N 321.442 2.333 0 40 DEAB Cc1nccn1-c1ncccc1NC(=O)c1cc(N(C)C)ccn1 129608847 CDDABJGJQYBJQP-UHFFFAOYSA-N 322.372 2.289 0 40 DEAB CCOCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccs1 72238137 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C[C@]1(c2cc3ccccc3o2)NC(=O)N(CCCC(=O)O)C1=O 567885833 CWJLQDVLWMKJBY-MRXNPFEDSA-N 316.313 2.065 0 40 DEAB COCCNC(=S)Nc1ccc(N2C[C@@H](C)C[C@H](C)C2)nc1 223886090 GOHDJOVAZYTDRG-STQMWFEESA-N 322.478 2.497 0 40 DEAB Cc1cc(C)c2c(=O)ccn(CC(=O)NCc3ccncc3)c2c1 225754159 GMZPNXVMPGKCDQ-UHFFFAOYSA-N 321.380 2.330 0 40 DEAB COC(=O)C1(CNCc2cc3ccccc3o2)CCOCC1 195560544 DKJITQOSIRCHHD-UHFFFAOYSA-N 303.358 2.492 0 40 DEAB C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCc1noc(C2CC2)n1 569382394 NBCUQYQJNXCJOF-OTYXRUKQSA-N 314.345 2.268 0 40 DEAB CC[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)OC)CC1 44840752 HCFONIFVCAFMJP-OAHLLOKOSA-N 323.364 2.395 0 40 DEAB CCCNC(=S)Nc1nc(OC)cc(N2CCC[C@@H](C)C2)n1 225884433 OHGISMPZPDZZIB-LLVKDONJSA-N 323.466 2.418 0 40 DEAB O=C(COCc1ccccc1)NC[C@@H]1Cc2ccccc2CO1 225786001 FNIIQZKSIKEIHX-SFHVURJKSA-N 311.381 2.461 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)NC[C@@](C)(O)c2cccs2)n1 80879610 HWBUMPBMTDOMIS-SWLSCSKDSA-N 307.419 2.146 0 40 DEAB CCN1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 225873164 SRQUHILNDDQGIK-UHFFFAOYSA-N 302.418 2.108 0 40 DEAB C[C@H](NCCN1CCCS1(=O)=O)c1cc2ccccc2o1 89519723 IYNQISMFHKISJJ-LBPRGKRZSA-N 308.403 2.119 0 40 DEAB CCCCC(=O)Nc1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 45953870 WVZUURXMJPFQMB-NSHDSACASA-N 304.346 2.253 0 40 DEAB CCC[C@@H]1C[C@H](C(=O)NCc2nc3cccnc3[nH]2)CCO1 193180346 ZRCNBUGNAOBTSU-VXGBXAGGSA-N 302.378 2.169 0 40 DEAB Cc1noc(-c2ccnc(NCC(=O)NCc3ccccc3)c2)n1 95400116 CTXFPBVZDCHVMI-UHFFFAOYSA-N 323.356 2.168 0 40 DEAB CC(C)C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](O)Cc1ccccc1 331047269 GYNCPISWTHQYPY-IKGGRYGDSA-N 305.418 2.300 0 40 DEAB C[C@@](Br)([C@H](O)c1cccc(F)c1)S(C)(=O)=O 96521270 WTLIDXXSLBUDNV-ZJUUUORDSA-N 311.172 2.015 0 40 DEAB O=C([C@@H]1CCCO1)N1CC[C@@H](OCCCc2ccccc2)C1 96456460 WSQHETPOAMIMFI-SJORKVTESA-N 303.402 2.416 0 40 DEAB O=C1[C@H]2CN(Cc3cccs3)C[C@@H]2CCN1c1cncnc1 96249134 BCGUPGZQNHEYLQ-WFASDCNBSA-N 314.414 2.023 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C2(C)CCC2)cc1 97098706 WIDJQVPLEBDAIN-CYBMUJFWSA-N 309.431 2.464 0 40 DEAB c1cc(-c2ccc(N3CCNCC3)cc2)cc(-n2cnnc2)c1 96150581 XLMMCMNJFXQCGU-UHFFFAOYSA-N 305.385 2.344 0 40 DEAB CCN(CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(C)C)C1CC1 96444009 JVNVGFMVFJLVQN-SJORKVTESA-N 322.497 2.127 0 40 DEAB Fc1cnc(N2CCC3(CC2)CO[C@H](COCC2CC2)C3)nc1 96105973 SODDSURAGYIFKT-HNNXBMFYSA-N 321.396 2.418 0 40 DEAB CC(C)C[C@H](CO)NC(=O)NCc1nnc(C(C)(C)C)s1 96480450 UCFBBKPUGUWJKE-SNVBAGLBSA-N 314.455 2.042 0 40 DEAB CN(C)C(=O)N1CCC2(CCN(Cc3ccccn3)CC2)C1 96157578 MMCXTSLXFFOFFZ-UHFFFAOYSA-N 302.422 2.051 0 40 DEAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccsc1 257303328 SGTGQUMADNQTAL-RBSFLKMASA-N 308.447 2.246 0 40 DEAB CCC(=O)N1CCC[C@@H](c2nccnc2Nc2ncccn2)C1 257233565 GPTJEKGYKSYXCO-GFCCVEGCSA-N 312.377 2.126 0 40 DEAB c1ccc(O[C@@H]2CSC3(C2)CN(CC2CCOCC2)C3)nc1 253480458 WWWMHNZBRYASHE-HNNXBMFYSA-N 320.458 2.447 0 40 DEAB Fc1cccc(CN2CC3(CO[C@@H](Cc4cncnc4)C3)C2)c1 257272141 NBGGMTOYSGHPLC-KRWDZBQOSA-N 313.376 2.449 0 40 DEAB O=C(C1CCCCC1)N1CCOC[C@@H](Cc2cnccn2)C1 257289472 PYTQEAZDALHFNX-AWEZNQCLSA-N 303.406 2.074 0 40 DEAB O=C(Nc1cc(-n2ccc3ccccc32)ncn1)c1cnccn1 96025274 ULEHQCJCMZFJGN-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB Cc1cc(C)nc(O[C@@H]2CCN(C(=O)CC(F)(F)F)C2)n1 390829472 ZIDQBUQQJYOHDG-SNVBAGLBSA-N 303.284 2.026 0 40 DEAB CSCC(=O)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575405904 KQEQZMZEHJYGJL-CQSZACIVSA-N 317.414 2.036 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@H](N(C)C)CCO2 585102456 ULKLWERBOBXTSO-CQSZACIVSA-N 321.421 2.007 0 40 DEAB O=C(c1cccs1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@H]21 585107642 DLUSSRRDIIYKGQ-HUUCEWRRSA-N 313.426 2.490 0 40 DEAB COc1ccc([C@H](NC(=O)N2CCCC2)c2nccn2C)cc1 44909136 XHANEMFRJRSWPU-HNNXBMFYSA-N 314.389 2.324 0 40 DEAB Cc1snnc1C(=O)N1CCC2(CC1)CC(N1CCCC1)C2 585101500 APOBSSVUFYIROI-UHFFFAOYSA-N 320.462 2.327 0 40 DEAB Cn1cc(CNC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)cn1 54811582 IVBXMLFBSJXWOE-MRXNPFEDSA-N 316.380 2.476 0 40 DEAB CCCCOc1cc(S(N)(=O)=O)ccc1Br 54363314 FIQMYZZSDOGGSS-UHFFFAOYSA-N 308.197 2.275 0 40 DEAB Cc1cccc(CN(C(=O)[C@H](C)N2C(=O)CCC2=O)C2CC2)c1 89669471 JAVSWUGWSLQTCB-ZDUSSCGKSA-N 314.385 2.024 0 40 DEAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1CCOCC(=O)O 517382302 VKTINKABZOJSOQ-FZMZJTMJSA-N 313.781 2.203 0 40 DEAB O=C(NCCOc1ccccc1)NCc1cc(C2CC2)ncn1 585361180 VJWCUNUFHKSKJZ-UHFFFAOYSA-N 312.373 2.232 0 40 DEAB COc1nc(C)c(I)c(C)c1C(=O)O 1537958127 LSSKIQOSSGIRGX-UHFFFAOYSA-N 307.087 2.010 0 40 DEAB O=S1(=O)CC[C@H](n2cc(-c3nc4ccccc4o3)cn2)C1 5777535 FFTYNNODCNRUGV-NSHDSACASA-N 303.343 2.051 0 40 DEAB CC(C)NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856788 YNKNJUWHMJSGJL-UHFFFAOYSA-N 305.305 2.496 0 40 DEAB Cc1cnc2c(c1)cc(C1CCOCC1)n2CC(=O)N(C)C 12223084 IKCCGKKAKSSRHN-UHFFFAOYSA-N 301.390 2.327 0 40 DEAB CCC[C@@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583279 NYIYLXUBKYTCLE-GFCCVEGCSA-N 312.435 2.164 0 40 DEAB O=C1[C@@H]2C=CC=C[C@H]2C(=O)N1CCc1c[nH]c2ccc(O)cc12 18044980 YKZAKWOJHOIPNI-ZIAGYGMSSA-N 308.337 2.143 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1ccc(C(F)(F)F)cc1 19575902 MHFAOXYDHIKCLD-TUKIKUTGSA-N 314.351 2.345 0 40 DEAB O=C(NCCn1cnnc1C1CC1)Nc1ccc(F)c(F)c1 152955548 UJHKZODIVJNFPD-UHFFFAOYSA-N 307.304 2.255 0 40 DEAB COc1cccc([C@H]2CNC[C@@H]2c2cc(O)n3nc(C)cc3n2)c1 12337675 ADOFWPCCWUFDTL-CABCVRRESA-N 324.384 2.223 0 40 DEAB C[C@@H](C(=O)O)N1C(=O)COc2ccc(-c3cscn3)cc21 31869825 REIMVXJUMAWMGN-QMMMGPOBSA-N 304.327 2.009 0 40 DEAB c1cnc(NC2CCN(c3ncnc4c3CCCC4)CC2)nc1 585149460 UMBKWOAVRGCPBE-UHFFFAOYSA-N 310.405 2.226 0 40 DEAB CC(C)N(C(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)C(C)C 4515157 AKBWYKICVSJEEJ-DYVFJYSZSA-N 323.437 2.133 0 40 DEAB NC(=O)c1ccccc1OCC(=O)Nc1ccc(F)c(F)c1 4562619 WZJAZTSPKCFDMN-UHFFFAOYSA-N 306.268 2.081 0 40 DEAB O=C(NCC1(N2CCOCC2)CCSCC1)[C@@H]1CC=CCC1 1776008932 CGXMMLJRVJQDCB-OAHLLOKOSA-N 324.490 2.057 0 40 DEAB O=C(CC1(O)CCC1)N1CCn2c(-c3cccs3)cnc2C1 1565556410 HDSRBBRAOZMJFO-UHFFFAOYSA-N 317.414 2.259 0 40 DEAB CN1C(=O)N[C@@H](c2ccccc2)C2=C1CN(Cc1ccco1)C2=O 118245 QYHBGPGRISIUIS-INIZCTEOSA-N 323.352 2.272 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1-c1ccc(Br)cc1 15424776 XPDBBMCHGYLCRP-UHFFFAOYSA-N 317.142 2.442 0 40 DEAB c1csc(OC2CCN(c3nccn4nccc34)CC2)n1 2086887050 UBZQSEHGNFGRPV-UHFFFAOYSA-N 301.375 2.234 0 40 DEAB O=C1NCCN1C(=O)NCc1cncc(-c2ccsc2)c1 218826941 NAICTCLVINULPA-UHFFFAOYSA-N 302.359 2.045 0 40 DEAB O=C(NCCn1ccnc1-c1cnccn1)Nc1ccccc1 575609617 NPMLFHDHQLKRBL-UHFFFAOYSA-N 308.345 2.162 0 40 DEAB C[C@H](C(=O)NC(C)(C)C)S(=O)(=O)Cc1cccc(F)c1 40496822 HKKUIYSAQVATKK-SNVBAGLBSA-N 301.383 2.044 0 40 DEAB O=C1CC2(CCCC2)C(=O)N1C[C@@H](O)c1ccc(F)cc1F 51261219 MLUSNQBFSQGNRR-CYBMUJFWSA-N 309.312 2.318 0 40 DEAB C[C@H](Nc1c(NCc2ccncc2)c(=O)c1=O)c1ccccc1 101693837 RCLNDZFQGSHKES-LBPRGKRZSA-N 307.353 2.463 0 40 DEAB O=C(c1cccc(S(=O)(=O)N2CCCCCC2)c1)N1CCC1 32721260 WINYMGAUOPMABY-UHFFFAOYSA-N 322.430 2.097 0 40 DEAB COC(=O)CSc1nc2ccccc2c(=O)n1CC(C)C 412178 WVGUFZZHWPMICF-UHFFFAOYSA-N 306.387 2.318 0 40 DEAB CC(C)(CNC(=O)NCC(=O)NC1CC1)c1ccccc1Cl 69597339 ZHOOJICYIBEHEW-UHFFFAOYSA-N 323.824 2.195 0 40 DEAB CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1 2641372 QIHCCTRPRWSWMI-UHFFFAOYSA-N 310.872 2.268 0 40 DEAB Cc1noc(CCCC(=O)N2CCC[C@@H]2c2cc(C)on2)n1 46765172 KSNLSZKPSULOPB-CYBMUJFWSA-N 304.350 2.361 0 40 DEAB CSc1nc(N)c(I)c(Cl)n1 1558543 QEGUVFRMAIHKIK-UHFFFAOYSA-N 301.540 2.039 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C)n(C(F)F)n2)C1 2733107 FZMXVXJKGOIACE-SNVBAGLBSA-N 315.320 2.002 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102837891 VNWXHMFOBBEDBR-HBEIAFGSSA-N 311.451 2.140 0 40 DEAB CC(C)C(=O)OCc1cc(=O)n2c3c(sc2n1)CCCC3 7164982 IFFOWNKMNZIERN-UHFFFAOYSA-N 306.387 2.334 0 40 DEAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(C(=O)O)c3)C2=O)cc1 7468046 RBVMJYYRPRDHCV-OAHLLOKOSA-N 324.336 2.437 0 40 DEAB Cc1ocnc1C(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91760571 BBZJSSKKMUSDOL-ZWNOBZJWSA-N 308.284 2.209 0 40 DEAB O=C(NCCN1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 47140675 YLTDZIKKTRJNPP-UHFFFAOYSA-N 316.380 2.227 0 40 DEAB Cn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1 2929423 QFMCGTGHSYOLIV-UHFFFAOYSA-N 305.281 2.240 0 40 DEAB Cc1ccccc1OS(=O)(=O)c1c(C)nn(C)c1Cl 47332147 ATPWJWRKITUYNR-UHFFFAOYSA-N 300.767 2.458 0 40 DEAB CC(C)C(=O)Nc1ccc(C(=O)N[C@H]2CCSC2=O)cc1 815458 WKPMYDWYOCEELG-LBPRGKRZSA-N 306.387 2.043 0 40 DEAB Cc1ccccc1OCCNS(=O)(=O)Cc1ccccc1 56139301 HCMUKMDZXTXIMF-UHFFFAOYSA-N 305.399 2.493 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@@H](C)c1nnc(C)o1 69655029 KOPACDWDSNSUKT-FPMFFAJLSA-N 306.410 2.304 0 40 DEAB O=C(NCCCOC[C@H]1CCCO1)c1cc(-c2ccco2)on1 55147348 ODEFEYKCBRYBMT-GFCCVEGCSA-N 320.345 2.250 0 40 DEAB O=S(=O)(NC1[C@H]2CCCC[C@H]12)c1cccc2nsnc12 100768641 XYVBJSZGPDKUQY-IUCAKERBSA-N 309.416 2.158 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 25220806 LYXVAJFCVPAQBT-GOEBONIOSA-N 300.402 2.244 0 40 DEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCSCC1 47984882 ALHOHCWVBCSBLN-UHFFFAOYSA-N 319.430 2.468 0 40 DEAB CCOCCN1CCN(Cc2nc(C)c3ccccc3n2)CC1 69773876 JKTIHDVSCFNTLI-UHFFFAOYSA-N 314.433 2.092 0 40 DEAB Cc1cccc(OCCNC(=O)N[C@H]2CCN(C(C)C)C2)c1 58061690 KGXNEEGXKYTYSG-HNNXBMFYSA-N 305.422 2.156 0 40 DEAB CN(C(=O)CCN1C(=O)NC2(CCCCC2)C1=O)C1CCCC1 44890248 LEMWLYTZWXEXSW-UHFFFAOYSA-N 321.421 2.032 0 40 DEAB CCc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 44890426 SHGVZIJMUWIYIJ-QGZVFWFLSA-N 314.429 2.451 0 40 DEAB C[C@@H](NC(=O)/C=C/c1cccnc1)c1ccc2[nH]c(=O)[nH]c2c1 58293198 YRUFHPIASNURMP-TZOMUSMUSA-N 308.341 2.142 0 40 DEAB CCOc1ccc(C2=N/C(=C/c3csnn3)C(=O)O2)cc1 58158864 NHYGLOOZVHCKMY-KPKJPENVSA-N 301.327 2.281 0 40 DEAB C[C@@H]1COCCN1C(=O)NCc1cc(-c2ccccc2)no1 44971536 QYADFSTYMHCZRS-GFCCVEGCSA-N 301.346 2.272 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)c1)NCc1ccco1 44906679 IMSOATSGVPMCQL-UHFFFAOYSA-N 300.362 2.274 0 40 DEAB c1ccc(Cn2cc(CNCc3nc(C4CC4)no3)cn2)cc1 58307659 LSQYFBZZYJYATH-UHFFFAOYSA-N 309.373 2.482 0 40 DEAB CC(C)C(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 20726970 KZCBODNIIUJSIZ-UHFFFAOYSA-N 313.401 2.119 0 40 DEAB NC(=O)[C@H](OC(=O)c1cc(Cl)ccc1O)c1ccccc1 11148081 FGXYESPIWXYBEK-CYBMUJFWSA-N 305.717 2.429 0 40 DEAB CCn1cc(-c2cc(C(F)(F)F)nc(NCCOC)n2)cn1 36613874 CHCLTYPJIKQTCW-UHFFFAOYSA-N 315.299 2.437 0 40 DEAB Cc1nnnn1-c1cccc(NC(=O)NCc2cccs2)c1 45689751 WDGWNBLMIDSRRR-UHFFFAOYSA-N 314.374 2.354 0 40 DEAB O=C(COC(=O)c1ccco1)NCCc1ccc(Cl)cc1 3514514 ZKRSMDORHCIOCB-UHFFFAOYSA-N 307.733 2.449 0 40 DEAB NC(=O)Nc1cccc(C(=O)Nc2nnc(C3CC3)s2)c1 70676313 BUWVSXOWEQCQGY-UHFFFAOYSA-N 303.347 2.158 0 40 DEAB CCC(=O)N1CCN(C(=O)NCc2c(C)cc(C)cc2C)CC1 69870339 QYJRMXISVCSWIN-UHFFFAOYSA-N 317.433 2.376 0 40 DEAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCCNC1=O 63944149 LNQCWRHYQXPPAN-NSHDSACASA-N 315.295 2.496 0 40 DEAB Nc1nc(COC(=O)c2n[nH]c3ccccc23)nc2ccccc12 18267662 ABFKYFKNCDCTCK-UHFFFAOYSA-N 319.324 2.445 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1ccc(NC(C)=O)cc1 5204753 ASGPEMAGVIEECJ-AWEZNQCLSA-N 321.377 2.354 0 40 DEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1 14075924 OHGOCGOVRCOEBW-JTQLQIEISA-N 304.302 2.176 0 40 DEAB O=C(Nc1ccccc1C(F)(F)F)N1CCS(=O)CC1 65610817 WHOOVNUAWNBKRJ-UHFFFAOYSA-N 306.309 2.302 0 40 DEAB CSc1ccc(NC(=O)N[C@H](C)C[S@](C)=O)cc1F 96010584 MQUIWTZDMWKXIT-LILOVNGRSA-N 304.412 2.436 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCCn2ccnc2C)c1 70013617 AIXDDAZTNUEFKP-INIZCTEOSA-N 315.421 2.168 0 40 DEAB CC(C)CNC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 8319810 XJFKCPVQTWQDIP-OAHLLOKOSA-N 318.417 2.367 0 40 DEAB COC(=O)[C@@H]1C[C@H](Oc2ccc(C)cc2Br)CN1 19735787 FDURUGIATVZQHK-ONGXEEELSA-N 314.179 2.040 0 40 DEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](n2cccn2)C1 69432780 JPJUOQQDBZVSNM-CYBMUJFWSA-N 323.352 2.467 0 40 DEAB Cc1ccc(CN2CCCN(C(=O)c3cnsn3)CC2)cc1 71819794 NJVPQIPZYHCAGU-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB C[C@H](Sc1nnnn1C1CCOCC1)c1nc(C2CC2)no1 71879397 RQKUOKNSGTUCJV-QMMMGPOBSA-N 322.394 2.138 0 40 DEAB COc1ccccc1[C@@H](O)CNCc1cccc2c1OCO2 71819631 QCZOZIVPEIVRTG-AWEZNQCLSA-N 301.342 2.247 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)c2ccccn2)n(CCO)n1 84247678 OSDMDULLDOFHED-UHFFFAOYSA-N 322.368 2.498 0 40 DEAB CCCCCS(=O)(=O)N1CCO[C@@H](c2ccc(C)o2)C1 97115546 SBUBMCKCYLNQNF-CQSZACIVSA-N 301.408 2.481 0 40 DEAB CN1CCN(c2cc(-n3ccnc3)ncn2)Cc2ccccc21 83881726 YDBLSLWPMSNTGP-UHFFFAOYSA-N 306.373 2.119 0 40 DEAB CCn1ncc2c(C(=O)NCCCO)cc(-c3ccccc3)nc21 97176258 PAABSTVRYXPAGJ-UHFFFAOYSA-N 324.384 2.230 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Oc1cnn(C)c1 84013879 ATAFVWMQHSSRGB-UHFFFAOYSA-N 304.394 2.428 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(C(C)C)no3)C2)n1 72283314 IMCPZHICNHFKHE-CYBMUJFWSA-N 317.393 2.484 0 40 DEAB COc1ncc(Cl)c(N2CCc3c(ncn3C3CC3)C2)n1 95426260 SNBMXICUUWBCGB-UHFFFAOYSA-N 305.769 2.233 0 40 DEAB CCc1ccc(/C(C)=C/C(=O)N2CCCS(=O)(=O)CC2)cc1 95401886 UBSKYPPHTMCKQZ-BUHFOSPRSA-N 321.442 2.299 0 40 DEAB Cc1cnc(CCNC(=O)N[C@@H](C)C[C@H](O)c2ccco2)s1 95413539 COKCTLOZEKGJFG-JQWIXIFHSA-N 323.418 2.398 0 40 DEAB Cc1ccc(SCCN2CCCN(C(N)=O)CC2)cc1C 95430653 ZABNLBZKAYENQZ-UHFFFAOYSA-N 307.463 2.482 0 40 DEAB C[C@@](CO)(NC(=O)NCCc1cccnc1)C1CCCCC1 88482113 OAHANKGDFALZNX-KRWDZBQOSA-N 305.422 2.255 0 40 DEAB COCC[C@H](NC(=O)N1CCc2ccccc2[C@H]1CO)C(C)C 95966627 LBFYNFGFHMMSQM-DLBZAZTESA-N 320.433 2.349 0 40 DEAB Cn1cnc2cc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)cnc21 95996852 AJWBJPOACSDCNF-UHFFFAOYSA-N 319.328 2.006 0 40 DEAB COC[C@](C)(CC(=O)O)NC(=O)c1cc2cccc(C)c2o1 95989829 TZLLEFFGWLYUCY-INIZCTEOSA-N 305.330 2.351 0 40 DEAB C[C@@H](NC(=O)NCC(C)(C)O)c1ccc(-c2cncnc2)cc1 74940535 AZBISCRUTBATGC-GFCCVEGCSA-N 314.389 2.275 0 40 DEAB Cn1cc([C@H](O)CNCc2ccc(Cl)c3cccnc23)cn1 89755248 VTMCIKIMCUKTDC-OAHLLOKOSA-N 316.792 2.445 0 40 DEAB Cn1cc([C@@]2(C)CN(C(=O)c3cccc4cc[nH]c34)CCO2)cn1 89919555 BKGRTQMXPFCLQP-GOSISDBHSA-N 324.384 2.289 0 40 DEAB Cc1nn2c(c1-c1ccccc1)NN=C(S(C)(=O)=O)[C@@H]2C 1548338196 DBJDWOZSVVULTG-JTQLQIEISA-N 304.375 2.203 0 40 DEAB COc1cc(/C=C/C(=O)O[C@H]2C(=O)OCC2(C)C)cc(OC)c1 68035857 NCSJXZDEHDROOA-NFAHFFEMSA-N 320.341 2.212 0 40 DEAB CS(=O)(=O)NCCCNC1c2ccccc2-c2ccccc21 182530396 GIJJGLNWTPOVPL-UHFFFAOYSA-N 316.426 2.285 0 40 DEAB CCCNC(=O)[C@H](C)[S@](=O)Cc1csc(C(C)C)n1 78394717 KHGGAQKDPFEEGO-OVWNDWIMSA-N 302.465 2.430 0 40 DEAB CCS[C@@H]1CCCCN(C(=O)[C@@H](NC(C)=O)C(C)C)C1 78987385 AYHROQIXRAOVHD-KGLIPLIRSA-N 300.468 2.281 0 40 DEAB O=C(NCc1ccnc(OC2CCOCC2)c1)c1ccco1 79095903 NFBKZXGXORQVMW-UHFFFAOYSA-N 302.330 2.162 0 40 DEAB Cc1nnc(-c2cccc(C(=O)N3CC[C@H](n4cccn4)C3)c2)o1 558654790 KSODEUUZTOIJJC-HNNXBMFYSA-N 323.356 2.329 0 40 DEAB N=C1O[C@H]2CSC[C@@H]2N1C(=O)Cc1c(F)cccc1Cl 72342814 YAVJKYITSFGJSS-QWRGUYRKSA-N 314.769 2.299 0 40 DEAB CN(C)C(=O)CN(C)C(=O)CCc1ccc(Cl)c(Cl)c1 79335625 GFDNAENMPQEPHH-UHFFFAOYSA-N 317.216 2.473 0 40 DEAB C[C@H]1CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)[C@H](C)C1 79098759 VWGQAXYPXNCAHS-YNEHKIRRSA-N 318.483 2.324 0 40 DEAB Cc1ccc2cccc(NC(=O)N[C@@H](C)Cn3cncn3)c2n1 79350535 IGIHZJIHPWZKEM-LBPRGKRZSA-N 310.361 2.345 0 40 DEAB CC(C)(NC(=O)Cc1cc2ccccc2s1)c1nn[nH]n1 562526345 MFTVEQALFGWEPG-UHFFFAOYSA-N 301.375 2.008 0 40 DEAB O=C(N[C@H]1CCCC(F)(F)[C@@H]1O)c1ccc2c(c1)CCCC2=O 563293339 ZTXRMXMPKFUDMN-DZGCQCFKSA-N 323.339 2.484 0 40 DEAB O=C(Nc1c(F)cccc1F)N[C@@H]1CC[C@H]2OCCO[C@@H]2C1 238841026 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CCOC[C@H]1CN(C(=O)c2cccs2)Cc2nn(C)cc21 96060403 ZJDYKGANOADJHG-LLVKDONJSA-N 305.403 2.258 0 40 DEAB COc1cc(N2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)ncn1 96186419 LSXQGZLEOZJPCC-GJZGRUSLSA-N 324.384 2.260 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96245224 IUKJFHVLMODRDO-WFASDCNBSA-N 317.414 2.448 0 40 DEAB O=C(COc1ccccc1O)NCc1ccccc1-n1ccnc1 91212245 XCNRPRSGXJTRPB-UHFFFAOYSA-N 323.352 2.273 0 40 DEAB CC(C)N1CCCC[C@@H]1C(=O)NCC1CCC2(CC1)OCCO2 96446846 MPZFGRQFTITSRP-MRXNPFEDSA-N 324.465 2.299 0 40 DEAB CC(C)(C)[C@@H](CCO)NC(=O)N[C@@H]1COc2ccccc2C1 97100678 BCOCZAYIMRSXEY-DZGCQCFKSA-N 306.406 2.086 0 40 DEAB COc1c(C(=O)Nc2nccs2)nnn1Cc1ccccc1 96183327 VMQFGWUMECJLMN-UHFFFAOYSA-N 315.358 2.044 0 40 DEAB CCCn1cc(NC(=O)Nc2nc3c(s2)COCC3)cn1 96444535 QIYIXFXNMQOGMS-UHFFFAOYSA-N 307.379 2.466 0 40 DEAB CC(C)[C@@H](C(=O)Nc1ccc(C(C)(C)C)nn1)N1CCCC1=O 96411021 SXDAQGQQCUSTPU-HNNXBMFYSA-N 318.421 2.360 0 40 DEAB C[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)C1CCCCC1 96440232 NUEGIGOVEOUOMP-GFCCVEGCSA-N 318.483 2.468 0 40 DEAB Cc1cc(-c2nn3c(Cc4c(C)noc4C)nnc3s2)no1 95478637 FYUWBXFKRKLDTR-UHFFFAOYSA-N 316.346 2.345 0 40 DEAB CCN(CC)C[C@@H]1CN(CC2CCOCC2)Cc2ccnn2C1 248251724 MJTXFCILICHOAZ-QGZVFWFLSA-N 320.481 2.083 0 40 DEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN2CCC[C@H]2C1 249823870 IJCLQIGYTURSIS-OCCSQVGLSA-N 308.809 2.414 0 40 DEAB Nc1cccc([C@H]2CN(Cc3ccc(Cl)cn3)CCO2)n1 257266634 MDVFTUJPGPEZMJ-CQSZACIVSA-N 304.781 2.286 0 40 DEAB CCCn1ccc(CNCc2cn(C)nc2C(F)(F)F)n1 256054335 VXJGTYISTUXJJR-UHFFFAOYSA-N 301.316 2.335 0 40 DEAB CC(C)(C)C(=O)N1CC[C@@H](Cc2nccnc2-c2cc[nH]n2)C1 257277775 NZHVXYJWNNEZFO-LBPRGKRZSA-N 313.405 2.304 0 40 DEAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3cncn3C)C[C@@H]21 257318910 VPXWQZDPYKSIFG-UWWQBHOKSA-N 312.417 2.413 0 40 DEAB CC(C)Oc1cccc(C(=O)N2CCC3(CC2)C[C@@H]3C(=O)O)n1 263287786 VKLPKQLBGZAWQX-GFCCVEGCSA-N 318.373 2.196 0 40 DEAB CO[C@]1(COc2cccc(C)c2)CCN(Cc2ncc[nH]2)C1 585275151 YLACCJPIVWGTRI-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB CC(C)Sc1ccc(C(=O)NCCN2CCOCC2)cc1 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304.346 2.276 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1 10255668 BVFJEJVCLZHLNE-CQSZACIVSA-N 300.745 2.397 0 40 DEAB Cc1cc(-c2nnc(NC(=O)c3cccc(F)c3)o2)n(C)n1 13614492 MKWBXTDXJYGKKG-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCN1CCCCC1)CC2=O 100175302 XJAIXLYFCYJXRN-ROUUACIJSA-N 306.450 2.374 0 40 DEAB Cc1cc(C)nc(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)n1 2086860268 JXDDBKRRDPJQNE-OKILXGFUSA-N 313.380 2.200 0 40 DEAB O=S(=O)(NCC1(O)CCCC1)c1ccc2ccccc2c1 44448506 XJHSIMHCIYLUPV-UHFFFAOYSA-N 305.399 2.423 0 40 DEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(Cl)cn1)CS2 40462302 YANGKEPFYQYRDF-NOZJJQNGSA-N 311.794 2.128 0 40 DEAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 40597768 HFYPUIHUCPNNMV-LBPRGKRZSA-N 316.854 2.269 0 40 DEAB CC(C)c1c(C(=O)NC[C@H]2CCOC2)cnn1-c1ccccn1 40514257 XUYZNCGQBPLAEZ-CYBMUJFWSA-N 314.389 2.157 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)Cn2ccc3ccc(F)cc32)C1 20718012 XIPNNLGREZGJPS-GFCCVEGCSA-N 304.321 2.104 0 40 DEAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc(C(C)C)cc1 70994 PPYSVSKWAUWZGF-CQSZACIVSA-N 313.361 2.258 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)NCCc1ccccn1 21774093 DFGSELRSRILUTO-UHFFFAOYSA-N 312.369 2.194 0 40 DEAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC2=NCCN2)C1 69350434 CMIOSHLADUKYCN-GASCZTMLSA-N 300.450 2.213 0 40 DEAB C[C@](O)(CNC(=O)[C@H]1Cc2ccccc2O1)c1cccs1 76084477 QEEMQRFBPBYSTH-CJNGLKHVSA-N 303.383 2.076 0 40 DEAB CCCn1c(SC[C@@H](O)c2ccccc2Cl)n[nH]c1=O 79808076 KVLFEHGJZZNAFV-LLVKDONJSA-N 313.810 2.461 0 40 DEAB COC(C)(C)[C@@]12C[C@](O)(C(C)C)ON1[C@H]1CCCC[C@H]1N2O 3141641 GGJKFZVMDVVRRE-OCVGTWLNSA-N 314.426 2.106 0 40 DEAB Cc1ccc(C)c(OCCN2CCO[C@H](Cn3cccn3)C2)c1 106193518 YQESXBMJPSDURZ-KRWDZBQOSA-N 315.417 2.280 0 40 DEAB CCc1nc(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)cs1 55287721 DVRXJBNEXMQCNT-CYBMUJFWSA-N 320.418 2.262 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccc(C)cc1)CC2=O 20800600 CTFFCHQKASKYNO-LBPRGKRZSA-N 311.337 2.383 0 40 DEAB NC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c1 25333868 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NC(=O)c1ccccc1NCC(=O)Nc1ccc(F)cc1F 10771568 RTLSQWOZNGFNGM-UHFFFAOYSA-N 305.284 2.114 0 40 DEAB O=C(COC(=O)c1ccc2ncsc2c1)NCC(F)(F)F 3322912 NWEHRMCGCBNKBT-UHFFFAOYSA-N 318.276 2.132 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2csc(C)n2)n1 45344562 JTPUPHXVBODCOT-SNVBAGLBSA-N 321.450 2.400 0 40 DEAB O=S(=O)(Cc1cc(-c2ccccc2)no1)C[C@@H]1CCCO1 45339756 OFIDJZQCRSVLDG-ZDUSSCGKSA-N 307.371 2.435 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@H](n2ccnc2)C1 69657117 HSHNMHJOQOVWHM-ZDUSSCGKSA-N 307.357 2.304 0 40 DEAB CN1C(=O)N(CC(=O)NC2CCCCC2)C(=O)C12CCCCC2 6006513 AAJNWKMANDKPIQ-UHFFFAOYSA-N 321.421 2.032 0 40 DEAB Cc1ccn2cc(CNS(=O)(=O)c3cccs3)nc2c1 5055859 SNLKEHKCXUIHMU-UHFFFAOYSA-N 307.400 2.183 0 40 DEAB CN1CCC(NC(=O)C(=O)c2ccc(C(C)(C)C)cc2)CC1 65491638 YRSORLNCUROLMQ-UHFFFAOYSA-N 302.418 2.377 0 40 DEAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 14189155 VHJZVRGNPFFDOT-ZETCQYMHSA-N 308.186 2.367 0 40 DEAB N=C1NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S1 4575051 JXNYNXHBEAJSTN-QMMMGPOBSA-N 318.185 2.488 0 40 DEAB COc1ccc(CC(=O)NCCCn2nc(C)cc2C)cc1F 14231371 YITMHUUHOHFVJS-UHFFFAOYSA-N 319.380 2.397 0 40 DEAB CON(C)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 8746712 RTRBWRKEHPYUAG-UHFFFAOYSA-N 320.370 2.121 0 40 DEAB O=C(NC1CC1)[C@H](c1ccccc1)n1nnc(-c2ccccc2)n1 8727746 YMVMYFICQIYYOJ-INIZCTEOSA-N 319.368 2.208 0 40 DEAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1 8231400 GPVZQVHBHIMVSI-SSDOTTSWSA-N 308.315 2.119 0 40 DEAB COc1cccc(N2CCN(C(=O)c3csc(C)n3)CC2)c1 71832953 YWXSGALBPGYYET-UHFFFAOYSA-N 317.414 2.423 0 40 DEAB O=C(Cc1ccccc1)NCC1(N2CCOCC2)CCCCC1 19902279 QBZKTRYMYFPUJQ-UHFFFAOYSA-N 316.445 2.380 0 40 DEAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1ccc2[nH]cnc2c1 84341080 YRBFEMZQVMTUCQ-OAHLLOKOSA-N 317.295 2.305 0 40 DEAB CCC(=O)NCC(=O)O[C@H](C)c1nc2cc(Cl)ccc2[nH]1 71913784 YEHZBAHGSZQNQR-MRVPVSSYSA-N 309.753 2.347 0 40 DEAB CNC(=O)[C@@H](Cc1ccccc1)NC[C@@H]1CCOc2ccccc21 97371686 ZZMGUKYIOKTZES-FUHWJXTLSA-N 324.424 2.500 0 40 DEAB Cc1cc([C@H]2CCCN(CC(=O)N(C)c3nccs3)C2)n[nH]1 84110891 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C[C@@H](Cc1cccs1)N(C)S(=O)(=O)Cc1ccon1 96449262 ARSCIEQHAMDMJP-JTQLQIEISA-N 300.405 2.129 0 40 DEAB O=C(c1ccncc1F)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 96218390 UIOMQHYTEDHIMR-GUYCJALGSA-N 320.364 2.021 0 40 DEAB CCOc1ccccc1OCCn1c(=O)c2cccnc2n1C 96428872 NVLBRFUTOYFJEW-UHFFFAOYSA-N 313.357 2.213 0 40 DEAB Cn1cc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cn1 431738911 JUTNRLQYWMRNJR-HNNXBMFYSA-N 305.403 2.336 0 40 DEAB c1c(CN2CCCCC2)nc2n1CCN(CC1CCOCC1)C2 96059413 PJYXLYZVDSVIKU-UHFFFAOYSA-N 318.465 2.111 0 40 DEAB COCC[C@@H]1CCOC12CN(C(=O)Cc1ccc(C)cc1)C2 247887928 UMORKJUFVSKXPR-MRXNPFEDSA-N 303.402 2.192 0 40 DEAB C[C@@H]1c2nc(CC(=O)NC3CC3)cn2CCN1C1CCCC1 253591165 KKNYJBMANUOGTN-GFCCVEGCSA-N 302.422 2.023 0 40 DEAB O=C(C1CCC1)N1CCC(c2nccnc2-c2ncc[nH]2)CC1 257270486 MUKQENPEVHMAOQ-UHFFFAOYSA-N 311.389 2.373 0 40 DEAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2ccccc2)[C@H]1O 257221595 DPTXPYMPXKHEJV-JFIYKMOQSA-N 313.401 2.005 0 40 DEAB CN(C)Cc1cnc([C@H]2CN(Cc3ccsc3)CCO2)[nH]1 257207408 BHPQIONZSOWFDM-CQSZACIVSA-N 306.435 2.106 0 40 DEAB CS(=O)(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2)o1 257221762 DQKTZDJGAZUHID-AWEZNQCLSA-N 306.387 2.362 0 40 DEAB C[C@]12CN(Cc3ccccc3)C[C@@H]1NC(=O)c1ccccc1[C@H]2N 253591739 TWXVMGOZCGGXHQ-NSHGMRRFSA-N 321.424 2.321 0 40 DEAB CO[C@H](CNS(=O)(=O)c1c(C)noc1C)c1ccccc1C 96105062 BXFZNNQMJZNTMS-CQSZACIVSA-N 324.402 2.266 0 40 DEAB CO[C@@H]1CN(C(=O)c2c[nH]nc2C)CC[C@@H]1Cc1ccccc1 585280076 XWQDTIAVOUQNQW-NVXWUHKLSA-N 313.401 2.438 0 40 DEAB Cn1cc([C@H]2CCCN(C(=O)c3cnc4ccccc4n3)C2)cn1 681290106 OPGZAIBFTXUVRR-ZDUSSCGKSA-N 321.384 2.383 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCC[C@H]2CN2CCCC2)c1 58356590 UVTFNELEJPNHRI-HNNXBMFYSA-N 318.417 2.404 0 40 DEAB CC(C)OCCn1nc(Br)nc1Br 96450981 FOKSWIRPIWDKHI-UHFFFAOYSA-N 312.993 2.228 0 40 DEAB COC(=O)[C@@H](C)Sc1nc2ccccc2n1[C@H](C)C(=O)OC 5387145 RLBOBWWYCNIGEY-NXEZZACHSA-N 322.386 2.424 0 40 DEAB COc1ccc(-c2nn(CCN(C)C)c(=O)o2)c2ccccc12 12143027 IJBJTJIGLAOJGQ-UHFFFAOYSA-N 313.357 2.227 0 40 DEAB Cc1nn(CCC(=O)NCc2cc(C3CC3)[nH]n2)c(C)c1C 12143758 FEIJWIZDLKWFAM-UHFFFAOYSA-N 301.394 2.115 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 169354859 HQEHIMYMQAMNDY-YIKOMLBNSA-N 311.337 2.175 0 40 DEAB Cc1ccc(C[C@@]2(CO)CN(Cc3cscn3)CCO2)cc1 643913813 IIEXQUQNYOTCQP-KRWDZBQOSA-N 318.442 2.258 0 40 DEAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(C)ccc1C 5517385 SFAHRLNADAQWEF-OAHLLOKOSA-N 318.373 2.121 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@](CO)(NCc2ccccc2)C1 953118737 OAHYMYQOTGIOLY-QGZVFWFLSA-N 306.406 2.148 0 40 DEAB COc1ccccc1CCNC(=O)C(=O)Nc1ccccc1F 4583656 MZXSMMYCJMQLJQ-UHFFFAOYSA-N 316.332 2.132 0 40 DEAB COC(=O)c1ccc(CSc2ccc(NC(C)=O)nn2)o1 11738680 JFNPFXCNSKTKJP-UHFFFAOYSA-N 307.331 2.107 0 40 DEAB CC[C@@](C)(CNC(=O)c1ccc(C(C)=O)s1)N1CCOCC1 31927548 LOMVZBIETQMPPC-INIZCTEOSA-N 324.446 2.181 0 40 DEAB COC(=O)Nc1ccc(CNc2cn[nH]c(=O)c2Cl)cc1 52328578 AUEJUEZUIGSYBV-UHFFFAOYSA-N 308.725 2.214 0 40 DEAB C[C@H](CNC(=O)c1ccccn1)N1CCc2sccc2C1 32817184 RCCNIFHQBWXBFA-GFCCVEGCSA-N 301.415 2.320 0 40 DEAB CN(C[C@H]1CCCN(Cc2nccn2C)C1)C(=O)OC(C)(C)C 69492590 COZKJTXFBKKQCW-CQSZACIVSA-N 322.453 2.499 0 40 DEAB O=C(NC1=NCCS1)c1ccc(N2CCCCCC2)nc1 29794907 SDKVJBAIVGRVAJ-UHFFFAOYSA-N 304.419 2.295 0 40 DEAB COc1cccc([C@H]2SCC(=O)N2c2nncs2)c1OC 1611106 GURQKYPIIVXPHL-GFCCVEGCSA-N 323.399 2.334 0 40 DEAB C[C@@H](NC(N)=O)C(=O)N(C)C1c2ccccc2-c2ccccc21 78992627 MEEMQQOYUBLNBV-LLVKDONJSA-N 309.369 2.272 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C1[C@@H]2CCCC[C@@H]12 102704143 KOZUTPISCOAABP-NXEZZACHSA-N 317.414 2.379 0 40 DEAB O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc(Cl)cc1 4510590 UPAJPKOSLCTMBG-UHFFFAOYSA-N 321.716 2.089 0 40 DEAB CC[C@H](OC(=O)CNC(=O)c1ccco1)C(=O)c1ccccc1 4510592 PRAWMJYPEAMGBG-ZDUSSCGKSA-N 315.325 2.214 0 40 DEAB Cc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccccc2C)n1 7418775 YHBFZTCCKXABHR-UHFFFAOYSA-N 323.356 2.133 0 40 DEAB O=C(NCCNc1ncccn1)C1(c2cccc(Cl)c2)CC1 47104778 AOOLQARHEWNPSZ-UHFFFAOYSA-N 316.792 2.390 0 40 DEAB C[C@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCO1 54214965 GQOOWIPORBVVBI-LBPRGKRZSA-N 319.792 2.446 0 40 DEAB CC1(C)CC(NC(=O)[C@@H]2COc3ccccc3O2)CC(C)(C)N1 47221495 MXLGXASWHRZZLA-HNNXBMFYSA-N 318.417 2.252 0 40 DEAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cnn(C)c1 23880718 QDRSFVMGDZGXOF-UHFFFAOYSA-N 319.315 2.437 0 40 DEAB O[C@H](CN1CCC[C@@H]1Cn1cccn1)c1ccc(F)cc1F 106784297 RJIDLMCCRJFXSY-CZUORRHYSA-N 307.344 2.359 0 40 DEAB COc1ccc(C)cc1C(=O)NC1CCN(C(=O)C(C)C)CC1 25249054 KRSSBNGUMXQKLG-UHFFFAOYSA-N 318.417 2.380 0 40 DEAB Cc1cccc(C(=O)Nc2ccc(NS(C)(=O)=O)cc2)n1 25387213 IEWZXXSKCJQWCD-UHFFFAOYSA-N 305.359 2.014 0 40 DEAB CCc1ccc(CN(C)C(=O)NCCNC(=O)C(C)C)cc1 26249162 AIKHRAWWNUDFMI-UHFFFAOYSA-N 305.422 2.163 0 40 DEAB Cc1c(C(=O)NCCCN2CCOCC2)oc2ccccc12 57026676 UVVILPRYSLLFQI-UHFFFAOYSA-N 302.374 2.193 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)o1 108532780 QBZBEUKCXWYMPY-UHFFFAOYSA-N 312.373 2.485 0 40 DEAB CC(C)CCNC(=O)CCCn1cnc2ccccc2c1=O 27063199 FVUBMGPIELRMNF-UHFFFAOYSA-N 301.390 2.339 0 40 DEAB biogenic CN(C)C(=O)Cc1ccccc1NCc1nc(C2CC2)no1 58157387 KADOYUXMFXFMTA-UHFFFAOYSA-N 300.362 2.190 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCCn1ccnc1 58245773 OHNPXPADCNVGLG-UHFFFAOYSA-N 324.384 2.452 0 40 DEAB Cc1cc([C@@H]2CCCN2C[C@H](O)COCc2ccco2)on1 44975739 YWUBYYUQBPYHMN-ZFWWWQNUSA-N 306.362 2.291 0 40 DEAB Cc1ccccc1NC(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 36394426 UJBYYEQHCLJSNR-KOLCDFICSA-N 300.280 2.391 0 40 DEAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@@H]1CC=CCC1 11005116 MSPWTOQLFNLMSR-OCCSQVGLSA-N 305.399 2.378 0 40 DEAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C)no2)C1=O 12776192 YYVPENNECWTBDZ-INIZCTEOSA-N 317.320 2.479 0 40 DEAB CN1CCN(Cc2ccc(C(=O)O)cc2C(F)(F)F)CC1 59773502 ZCQQMOIFWQOICM-UHFFFAOYSA-N 302.296 2.151 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)C[C@H](NC(C)=O)c1cccs1 48325707 WUTHVNKDYYWDBL-KBPBESRZSA-N 324.446 2.200 0 40 DEAB CCOc1ccc(-c2noc(CN3CCC(CO)CC3)n2)cc1 46091063 LNIBFXSQUQXFDS-UHFFFAOYSA-N 317.389 2.340 0 40 DEAB Cc1nc(CCNC(=O)CCc2c(C)nn(C)c2C)cs1 29551068 RYAWHQIVMGHNKK-UHFFFAOYSA-N 306.435 2.093 0 40 DEAB COc1cc(CC(=O)Nc2nnc(C)s2)cc(OC)c1OC 3557775 HQHVLLMRQNGUCI-UHFFFAOYSA-N 323.374 2.054 0 40 DEAB COC(=O)CCNC(=O)c1cnc(Cc2ccc(F)cc2)s1 69515682 NLAKCUCQUABKRX-UHFFFAOYSA-N 322.361 2.166 0 40 DEAB CCOC(=O)c1cnn([C@@H]2CCCN(CC(F)(F)F)C2)c1 91815475 ZRENATZOUIIYQV-LLVKDONJSA-N 305.300 2.259 0 40 DEAB COc1ccc(-c2nc(CNC(=O)c3ccsc3)n[nH]2)cc1 69772601 XWAFXCBOFFFCBO-UHFFFAOYSA-N 314.370 2.472 0 40 DEAB C[C@H](O)[C@@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 69814761 OEBBOPMILCDQHA-BBRMVZONSA-N 308.397 2.019 0 40 DEAB C[C@H](NC(=O)c1nccnc1N)c1ccccc1Br 14061250 YULPXKSJESXTBJ-QMMMGPOBSA-N 321.178 2.312 0 40 DEAB Cc1cccc(N(CCC(N)=O)C(=O)c2scnc2C)c1 65523046 IICSWNUWHUUMFP-UHFFFAOYSA-N 303.387 2.282 0 40 DEAB CCCN1CCC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2CC)C1 69922518 DWWHPCVQOUODLW-JKSUJKDBSA-N 318.465 2.483 0 40 DEAB CCn1nc(C(=O)Nc2ncc(C)s2)c2ccccc2c1=O 14197451 OZMOEKVJWYRXRE-UHFFFAOYSA-N 314.370 2.434 0 40 DEAB CCn1cc(C(=O)NCc2ccncc2)c(=O)c2ccccc21 22234380 CZCKJMWUOWOVRX-UHFFFAOYSA-N 307.353 2.346 0 40 DEAB Cc1ccc(Cc2c(C)nc(N3CCN(C)CC3)nc2O)cc1 8913943 OWQAFIOTEWFYQN-UHFFFAOYSA-N 312.417 2.142 0 40 DEAB COc1ccc(NC(=O)NCc2cc(C)on2)cc1NC(C)=O 67563440 XXFDJZXUYUNLIN-UHFFFAOYSA-N 318.333 2.272 0 40 DEAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2CC(=O)O)c(C)c1 19685983 MSVAJSMKBCWQPZ-CYBMUJFWSA-N 311.403 2.240 0 40 DEAB CNC(=O)[C@H](Cc1ccccc1)NC[C@H]1CCOc2ccccc21 97371691 ZZMGUKYIOKTZES-AEFFLSMTSA-N 324.424 2.500 0 40 DEAB COc1ccccc1O[C@@H](C)CNC(=O)[C@H]1CCCCN1C 96431677 ATXSSBKBXZEFBX-UONOGXRCSA-N 306.406 2.063 0 40 DEAB CC(C)(C)OC(=O)N1CC2(CC(=O)c3cc(N)ccc3O2)C1 306145398 DKCPBWHETHGNRQ-UHFFFAOYSA-N 304.346 2.224 0 40 DEAB Cc1noc([C@H]2COCCN2C(=O)c2cc3ccccc3o2)n1 97373323 GVUQORDIHUZXFD-GFCCVEGCSA-N 313.313 2.338 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)NC[C@H]2CCCO2)c1 71857053 PSCYNFKARHCZQX-OAHLLOKOSA-N 300.362 2.481 0 40 DEAB Cc1[nH]nc(C(N)=O)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 71888306 LXGSKYVCZXYJPA-VHSXEESVSA-N 318.764 2.213 0 40 DEAB CC[C@H](NC(=O)NCCCn1cc(C)cn1)c1nccs1 71915883 AOBVQPOFKZMZHT-LBPRGKRZSA-N 307.423 2.489 0 40 DEAB Cc1nnc(CSc2nnnn2-c2ccc(Cl)cc2)n1C 95393723 GFWQNNUTLGMUSL-UHFFFAOYSA-N 321.797 2.045 0 40 DEAB COCCOc1ccc(NC(=O)N2CCC[C@@H]2C[C@@H](C)O)cc1 84637174 DCLUJUSTKAQOBT-UKRRQHHQSA-N 322.405 2.479 0 40 DEAB COC(=O)c1ccc(Cl)c(CNC2(C(N)=O)CCCCC2)c1 97080429 YWSMFORSQPOKDE-UHFFFAOYSA-N 324.808 2.404 0 40 DEAB C[C@@H](OC[C@H]1CCCO1)C(=O)Oc1ccc(-n2cccn2)cc1 72292748 HGZWQHVADYCZBZ-CZUORRHYSA-N 316.357 2.362 0 40 DEAB CC(C)c1csc([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3)C2)n1 72297231 WXLAYTDWQYDDKV-NEPJUHHUSA-N 321.446 2.251 0 40 DEAB CNC(=O)c1ccc(CN(C)c2noc(C(C)(C)C)n2)cc1 95468688 VCLICYHHWJNUSE-UHFFFAOYSA-N 302.378 2.363 0 40 DEAB C/C(=C\C(=O)N1CCC[C@@H]1C(N)=O)c1ccccc1OC(F)F 98056411 GVJWUORASFKGOJ-BZYZDCJZSA-N 324.327 2.168 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccsc1 73629430 GHDKSSHCRIWUAJ-ZDUSSCGKSA-N 309.435 2.291 0 40 DEAB CC[C@@H]1CN(C(=O)CSCC(N)=O)CC[C@H]1c1ccccc1 74283515 MHDJOBGPGWMFOS-UKRRQHHQSA-N 320.458 2.247 0 40 DEAB CN(C[C@H](O)C1CC1)S(=O)(=O)c1cccc2ccccc12 89340066 FFGVMIBPQOZWDT-HNNXBMFYSA-N 305.399 2.231 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@H]2c2noc(C(C)C)n2)on1 75581713 NVYSALWEILATMH-NSHDSACASA-N 319.365 2.265 0 40 DEAB CCn1nc(C)c2c(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc(C)nc21 28222276 OCFWXQKFASQWGJ-VXGBXAGGSA-N 316.405 2.317 0 40 DEAB O=C(NCCSCc1ccco1)[C@H]1COc2ccccc2O1 408922554 FTYURCBYSFWISR-OAHLLOKOSA-N 319.382 2.469 0 40 DEAB CCN1CCN(Cc2ncccc2Cl)C[C@H]1c1ncc[nH]1 528488146 MZROAIHFFMVMEJ-AWEZNQCLSA-N 305.813 2.337 0 40 DEAB Cn1cc(S(=O)(=O)Nc2cccc3c2OC(C)(C)CC3)cn1 530147775 LLHCSEXOYZFAFL-UHFFFAOYSA-N 321.402 2.325 0 40 DEAB Brc1ccccc1N1CCC(N2CCOCC2)=N1 35327446 QUWGHGCIKQSDIZ-UHFFFAOYSA-N 310.195 2.305 0 40 DEAB O=C(C[C@H](c1ccccc1)[C@@H]1CCCNC1)N1CCOCC1 72208351 AJUDMAFXEWVXJJ-IAGOWNOFSA-N 302.418 2.019 0 40 DEAB O=C(NCc1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1 73742841 USNBYVYEMXCLOU-UHFFFAOYSA-N 320.751 2.412 0 40 DEAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCN1CCOCC1 216449513 OHXXJHMYVIWGJU-HNNXBMFYSA-N 320.433 2.026 0 40 DEAB Cc1ccsc1C(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1 76384186 LXIDWCBHIYMGFI-WDEREUQCSA-N 301.433 2.142 0 40 DEAB CCOC(=O)CN(CC(=O)N[C@H](C)c1ccc(F)cc1)C(C)C 49980834 RUBGURBBVNAJGH-CYBMUJFWSA-N 324.396 2.276 0 40 DEAB Cc1cnc(CN(C)[C@H]2CCN(Cc3c(C)noc3C)C2)o1 84258944 KDRPKFYRAFZULL-AWEZNQCLSA-N 304.394 2.294 0 40 DEAB CN1CCC[C@H](C(=O)NCc2ccc(-c3ccncc3)cc2)C1=O 573196207 FWDNARUBKVDYJM-QGZVFWFLSA-N 323.396 2.233 0 40 DEAB CCN(CC)c1ccc(N(C)C(=O)C(F)(F)F)cc1C(N)=O 226279329 QIXYVGSTPWHANV-UHFFFAOYSA-N 317.311 2.157 0 40 DEAB Cc1ccc(CC(=O)N2CCN(c3cncc(F)c3)CC2)o1 576409787 BSRGTJHJYZONBP-UHFFFAOYSA-N 303.337 2.013 0 40 DEAB COc1ccc([C@@H](N)c2n[nH]c(CNc3ccccc3)n2)cc1 95533685 BICGAEAJGXVVDK-MRXNPFEDSA-N 309.373 2.474 0 40 DEAB c1csc(CN2C[C@@H]3CC[C@H](C2)N3Cc2nccs2)n1 96083495 BRJUSVKQYINXCQ-TXEJJXNPSA-N 306.460 2.448 0 40 DEAB O=C(C1CCC1)N1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1 96218710 LXIUXAPXUPRCHY-WBVHZDCISA-N 302.374 2.021 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccc(C)s2)CCO1 96440656 RVPQATZQJAJXHY-YPMHNXCESA-N 312.435 2.044 0 40 DEAB O=C(c1ccoc1)N1Cc2ccnn2C[C@H](COCC2CC2)C1 96189107 UABGBFHKYAXETN-CQSZACIVSA-N 315.373 2.175 0 40 DEAB CC(C)CNC(=O)C(=O)Nc1cc(Br)ccc1F 96413454 HYEXCSHKZSGRBI-UHFFFAOYSA-N 317.158 2.299 0 40 DEAB CS[C@@H](CO)[C@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 95445690 YHVCGNYPDPHZHT-UNOASYIFSA-N 316.426 2.477 0 40 DEAB c1ccc(N[C@@H]2CCO[C@]3(CCN(c4ncccn4)C3)C2)nc1 96207328 BNNNMQRREPPEDG-RHSMWYFYSA-N 311.389 2.112 0 40 DEAB Cc1cc(CN2CC3(C2)OCC[C@@H]3COc2cccnc2)no1 247923215 OQQPYWHTAMGJKX-CQSZACIVSA-N 315.373 2.048 0 40 DEAB CCn1cc(C(=O)N2CC(Cc3nccc4cc[nH]c34)C2)cn1 257228882 FVRRNOCEUYTIOT-UHFFFAOYSA-N 309.373 2.094 0 40 DEAB O=C(CCN1CCCCCC1)N1CCO[C@@H](c2ccncc2)C1 257234834 GVHCTTWFZSROEE-QGZVFWFLSA-N 317.433 2.248 0 40 DEAB C[C@H](NC(=O)CN1CCCC[C@H]1C(=O)O)c1ccc(Cl)cc1 253370962 YUMCTYHIWJAICU-FZMZJTMJSA-N 324.808 2.456 0 40 DEAB CN(c1cccnn1)[C@@H]1CC[C@@H]2CN(Cc3ccccn3)C[C@@H]21 257284797 PEJJKZKVFUPHFP-HYVNUMGLSA-N 309.417 2.218 0 40 DEAB 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DEAB CSC[C@@H](C)C(=O)NC[C@](C)(O)c1ccc(F)cc1F 79350192 SOTWKQVXNUKSDC-OTYXRUKQSA-N 303.374 2.288 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nc(N2CCCCC2)n1 72239834 PZRQOZYSWPHQFZ-ZIAGYGMSSA-N 318.421 2.025 0 40 DEAB Cc1nn2c(c1-c1ccc(F)cc1)NC=C1C(=O)NN=CC=C12 40397022 CBMFYYNRIRCBLD-UHFFFAOYSA-N 309.304 2.264 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCc1ccc(C)o1)O2 40779214 DYSGNTGBKICVIC-QGZVFWFLSA-N 314.341 2.302 0 40 DEAB CCCOC(=O)c1ccc(NC(=O)N(CCC)CCO)cc1 61331546 XMXALFZDZPAYKS-UHFFFAOYSA-N 308.378 2.490 0 40 DEAB Cc1nnc(NC(=O)c2ccnc(O[C@@H]3CCSC3)c2)s1 225721752 HTYAVLIBWVJVLR-SNVBAGLBSA-N 322.415 2.378 0 40 DEAB CN1CCN([C@H](Cc2cc(Cl)cc(Cl)c2)C(=O)O)CC1 225146526 ORFZASXNQHBHTB-CYBMUJFWSA-N 317.216 2.237 0 40 DEAB NC(=O)c1cc(NC(=O)C(F)(F)F)ccc1N1CCCCC1 226279450 WBOPZYRXGXGIPK-UHFFFAOYSA-N 315.295 2.277 0 40 DEAB COCCCNC(=O)C(C)(C)Oc1ccn(-c2ccccc2)n1 227153484 BAONDUVFMBDCGA-UHFFFAOYSA-N 317.389 2.182 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)COC[C@H]1CCCNC1 195549495 JWXNNJOSHKTTDF-OLZOCXBDSA-N 324.396 2.028 0 40 DEAB CC(C)n1cc(Br)cc(N2CCOCC2)c1=O 225959001 PZCIPYYQUYZZIK-UHFFFAOYSA-N 301.184 2.028 0 40 DEAB Cc1csc(COC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)n1 96442932 PWBZIQVBKUCZRV-GFCCVEGCSA-N 308.403 2.143 0 40 DEAB c1csc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)n1 96058636 BQJJQPFWSMPZRX-LBPRGKRZSA-N 316.430 2.038 0 40 DEAB C[C@@H]1N(c2cccnc2)C(=O)COC12CCN(CC1CC1)CC2 96201605 MJZFNRBLQBPDQK-AWEZNQCLSA-N 315.417 2.078 0 40 DEAB c1cn([C@H]2CO[C@@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96048592 ZJFVQSFPQWTCHO-SJORKVTESA-N 305.422 2.106 0 40 DEAB CCc1n[nH]c(NC(=O)c2cnn(CC)c2)c1Br 96450002 UODFSFLYAVPBBK-UHFFFAOYSA-N 312.171 2.203 0 40 DEAB COc1cc(CNC(=O)c2ccnc(C)n2)c2ccccc2n1 96425937 MATJNZYJPYGHLU-UHFFFAOYSA-N 308.341 2.272 0 40 DEAB CN(Cc1ccco1)Cc1cnc2n1CCN(CC1CC1)CC2 96197092 UKLUHQRPBXSNRO-UHFFFAOYSA-N 314.433 2.376 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2ccoc2)cc1 84952777 NYBFAMOFUHABPG-LLVKDONJSA-N 307.371 2.392 0 40 DEAB Cc1nc(CO[C@@H]2CCOC3(C2)CN(C(=O)C2CC2)C3)cs1 248044427 PSWYIQIHIDWLTM-CQSZACIVSA-N 322.430 2.138 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3cccs3)CCO2)nc(C)n1 257222197 DSINPNCYMBGOPX-ZDUSSCGKSA-N 303.387 2.369 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccccc3F)C2)n1 257248731 JEYIFHZEXQCFCY-LLVKDONJSA-N 309.366 2.035 0 40 DEAB CO[C@H]1C[C@@H]2CN(C(=O)CCc3nc(C(C)C)no3)C[C@@H]2C1 257315942 VDKLFUIMNFXXCV-ITGUQSILSA-N 307.394 2.009 0 40 DEAB C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@@H]1c2ccccc2C[C@H]1C 252586022 MZVLWVLRERTLAV-CXUGXGMPSA-N 318.417 2.101 0 40 DEAB CN1CCCC[C@]1(C)C(=O)N1CCC(C)(c2ccn[nH]2)CC1 257240420 HTJWMAKCVXPISU-QGZVFWFLSA-N 304.438 2.164 0 40 DEAB CCCn1ccc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)n1 257232487 GLBLNBDQFQYKHG-KRWDZBQOSA-N 312.417 2.422 0 40 DEAB Cn1cc(-c2cncc(CNC(=O)c3cc(C4CC4)on3)c2)cn1 575414789 UEJHCSFBCDXCDB-UHFFFAOYSA-N 323.356 2.278 0 40 DEAB Cc1cc(C(=O)N2CC[C@H](c3noc(-c4ccccc4)n3)C2)[nH]n1 169750965 WTOPPEUQKFQBAU-ZDUSSCGKSA-N 323.356 2.398 0 40 DEAB CC(=O)NC[C@@H](C)OC(=O)c1cc(C)nc2cc(F)ccc12 97056314 XSZOWGRFYWWQRX-SNVBAGLBSA-N 304.321 2.364 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1coc(Br)c1)C(=O)O 96999726 UFLKNIIOSSLTSK-RCOVLWMOSA-N 304.140 2.271 0 40 DEAB O=C(C[C@@H]1C(=O)Nc2ccccc2[S@]1=O)Nc1ccccc1 5721900 YQSBLURPJKRNCP-PEBXRYMYSA-N 314.366 2.144 0 40 DEAB CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(C(=O)C(C)C)C1 19085426 XUFLCTMCWLGXIO-GDBMZVCRSA-N 303.406 2.153 0 40 DEAB COc1cccc(CC(=O)NCCc2nc3ccccc3[nH]2)c1 9317790 NDGHYVULTPXKRX-UHFFFAOYSA-N 309.369 2.473 0 40 DEAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)[C@H]3CCCO3)cnc21 27885450 XZIMMQWXNJGGGS-SMDDNHRTSA-N 302.378 2.310 0 40 DEAB O=C(NCc1nccnc1-c1ccncc1)c1cncc(F)c1 585150661 QWHYWSOBHZSEPA-UHFFFAOYSA-N 309.304 2.003 0 40 DEAB O=S(=O)(Cc1cc(-c2ccccc2)on1)C[C@H]1CCCO1 40498841 IMWPXABQXWKCJI-CQSZACIVSA-N 307.371 2.435 0 40 DEAB C[C@@H]1CN(c2ccc(CNC(=O)c3ccsc3)cn2)CCO1 40535992 DCKRHDCTQCMSCL-GFCCVEGCSA-N 317.414 2.298 0 40 DEAB CCC[C@]1(C)NC(=O)N(C[C@@H](O)c2ccccc2Cl)C1=O 51373838 PBYZTHLQKBEKBZ-DOMZBBRYSA-N 310.781 2.484 0 40 DEAB COc1ccccc1CN1C(=O)[C@@H](NC(C)=O)c2ccccc21 101134713 DTVLFNAKIKTWLL-KRWDZBQOSA-N 310.353 2.419 0 40 DEAB COC(=O)c1ccc(C(=O)N(C)CCOc2ccccc2)nc1 32796482 ILFUQVTWCYBMOQ-UHFFFAOYSA-N 314.341 2.019 0 40 DEAB C[C@@H]1CCN(C(=O)c2nccnc2N)[C@@H]1c1cccc(F)c1 76093652 GWAMZPFXWDJNNA-YGRLFVJLSA-N 300.337 2.421 0 40 DEAB O=C(NCCc1nc[nH]n1)Nc1cccc(SC(F)F)c1 79105303 REIKKTOOVBVHTJ-UHFFFAOYSA-N 313.333 2.484 0 40 DEAB COc1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(N)n2)cc1 8753097 FEUOFORBFUNBMF-JTQLQIEISA-N 318.402 2.495 0 40 DEAB CC(=O)O[C@H]1CCn2c1nc1ccc(Br)cc1c2=O 517839 SGOGBAUHLIOTAR-NSHDSACASA-N 323.146 2.167 0 40 DEAB biogenic CN(C)C(=O)CCNC(=O)Cc1ccc(-c2ccccc2)cc1 47514249 BNFZYOFWTNECPP-UHFFFAOYSA-N 310.397 2.491 0 40 DEAB C[C@H](c1ccccn1)N1CCN(C(=O)NC2CC=CC2)CC1 97143044 GQPMOSOLUBFLTE-CQSZACIVSA-N 300.406 2.188 0 40 DEAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 100616354 ZOHDOFBGGUXZSD-DGVSKKNDSA-N 317.385 2.359 0 40 DEAB COc1cc(O)c(C(=O)CC(=O)c2ccncc2)c(OC)c1 100348271 JDGOMARPAJCIHO-UHFFFAOYSA-N 301.298 2.260 0 40 DEAB O=C(OCC(=O)N1CCCCC1)c1ccc(Br)o1 3240070 KFTMBOJRDNNPGG-UHFFFAOYSA-N 316.151 2.211 0 40 DEAB Cc1cc(C)n(CCC(=O)Nc2ccccc2-n2cncn2)n1 25005611 QPRZYAZJDXFIMI-UHFFFAOYSA-N 310.361 2.109 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H]2COc3ccccc3C2)s1 43408800 MBKOFUNGNKWAFT-SNVBAGLBSA-N 304.375 2.219 0 40 DEAB CC1CCN(CCN2CCC[C@@H]2CN2C[C@@H](C)O[C@H](C)C2)CC1 107154799 PHCVKXQNFPRCOR-GUDVDZBRSA-N 323.525 2.292 0 40 DEAB Cc1ccc([C@H](C)NC(=O)NCc2nnc3n2CCCCC3)o1 43724448 NNOIPGVPIOOFAT-LBPRGKRZSA-N 317.393 2.466 0 40 DEAB CC[C@@H](C)NC(=O)CCNC(=O)N1CCc2ccccc2C1 56917394 NHZRRNGNTNLIEC-CYBMUJFWSA-N 303.406 2.059 0 40 DEAB Cc1nc(C)c(CCC(=O)N(C)Cc2ccccc2C)c(=O)[nH]1 57794959 YNWPNNALZYNLPC-UHFFFAOYSA-N 313.401 2.286 0 40 DEAB CNC(=O)[C@@H]1CCC[C@@]12CCN(Cc1ccc3c(c1)CCO3)C2 108534952 ICWKIBFULSGUCC-LPHOPBHVSA-N 314.429 2.360 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 44890129 KRNFPLRKPWJTCT-CYBMUJFWSA-N 319.792 2.283 0 40 DEAB COc1ccc(CCC(=O)Nc2cc[nH]n2)c(OC)c1OC 58209892 CTKYDVMYYHVJCN-UHFFFAOYSA-N 305.334 2.007 0 40 DEAB CCN(c1cccc(F)c1)S(=O)(=O)c1c[nH]c(C(=O)O)c1 44929668 HFRHELHUYYZEGO-UHFFFAOYSA-N 312.322 2.067 0 40 DEAB Cc1cccc(Nc2nncc(=O)n2NC(=O)c2ccccc2)c1 28047646 VTVDFVIKNCDBLK-UHFFFAOYSA-N 321.340 2.074 0 40 DEAB CC(C)N1CCN(C(=O)CCCc2nc3ccccc3[nH]2)CC1 29287685 JPQMLTZAVJTUSR-UHFFFAOYSA-N 314.433 2.438 0 40 DEAB C/C=C/c1ccc(OCC(=O)N2CCC(=O)CC2)c(OC)c1 8734421 NNMHEBAQNWTZMY-ONEGZZNKSA-N 303.358 2.299 0 40 DEAB Cc1nc2cc(NC(=O)CN(C)C(=O)c3ccco3)ccc2o1 22876097 CHDUHFDYAMYOOH-UHFFFAOYSA-N 313.313 2.440 0 40 DEAB Cc1ccc(NC(=O)CCCN2CCOC2=O)c2[nH]ncc12 63712931 QIIFPKJHLPFAJT-UHFFFAOYSA-N 302.334 2.042 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 49659678 DTOQLXWEMNBNDH-LLVKDONJSA-N 322.430 2.337 0 40 DEAB Cc1cnc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)s1 13690884 ZQKOPRKCZFFMQG-UHFFFAOYSA-N 314.370 2.301 0 40 DEAB CCOc1c(I)cc(C(=O)O)cc1OC 4419139 DSJLSGZETAPGOU-UHFFFAOYSA-N 322.098 2.397 0 40 DEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2ccccc2)C[C@@H](C)O1 65606365 WNXXANBNZLTTQH-INMHGKMJSA-N 302.418 2.400 0 40 DEAB CCc1cccc(CC)c1NC(=O)CN1C(=O)NC(C)(C)C1=O 4516798 TZOMDBBMHLGOPQ-UHFFFAOYSA-N 317.389 2.080 0 40 DEAB C[C@H](NC(=O)COc1ccc(Cl)cc1C(N)=O)c1ccco1 14241936 YUXPBDOCRGFTJT-VIFPVBQESA-N 322.748 2.288 0 40 DEAB Cc1nn(S(=O)(=O)c2ccccc2)c(C)c1Br 14218417 ZIUFRYBNFVJNFI-UHFFFAOYSA-N 315.192 2.499 0 40 DEAB O=C1N[C@@H](CC(=O)N2CCc3ccccc3C2)c2ccccc21 5427030 LEOKXWDAQNGFPX-KRWDZBQOSA-N 306.365 2.446 0 40 DEAB O=C([C@H]1COc2ccccc2O1)N(Cc1cccnc1)C1CC1 6663225 NOXBSHHJGATUBB-QGZVFWFLSA-N 310.353 2.413 0 40 DEAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cn(C)c2ccccc12 5703582 GIQNNCIJRICLEP-GFCCVEGCSA-N 302.374 2.496 0 40 DEAB O=C(CSc1nnnn1C1CC1)Nc1ccc(F)c(F)c1 15050105 OUUDKERUAYVZIG-UHFFFAOYSA-N 311.317 2.017 0 40 DEAB O=C(c1ccc(Cl)o1)N1CCC(c2nnc3n2CCC3)CC1 65613375 XOFFYUNQDOCBMM-UHFFFAOYSA-N 320.780 2.491 0 40 DEAB Nc1ncccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 67292107 JDCLZFKAYJFSJW-UHFFFAOYSA-N 316.792 2.280 0 40 DEAB CCCCNc1nc2ccccc2n1CC(=O)NCCCOC 7738333 OZBJCNZLBFEKFG-UHFFFAOYSA-N 318.421 2.401 0 40 DEAB CCCN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2 7778823 MNRFFYSIUJOSOU-CYBMUJFWSA-N 305.765 2.200 0 40 DEAB Cc1c(Cl)cccc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 9358213 CZAQLWXPRNYBAW-WDEREUQCSA-N 316.835 2.302 0 40 DEAB COc1ccc(CNC(=O)c2cn3ccccc3n2)cc1OC 8276054 MQJNVUBSQYJXCY-UHFFFAOYSA-N 311.341 2.282 0 40 DEAB O=C(NCc1ccc(F)cc1)c1c(O)c2c([nH]c1=O)CCCC2 17146871 RPDZKHVFCJLLFU-UHFFFAOYSA-N 316.332 2.028 0 40 DEAB C[C@H](O)CN1CCN(C(=O)C[C@H](C)CCc2ccccc2)CC1 69709309 MCEGAEJPFCSHRL-SJORKVTESA-N 318.461 2.170 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN[C@H]2CCc3nc(C)nn3C2)cc1 69927973 WYBVIKLENPKYCR-INIZCTEOSA-N 322.416 2.390 0 40 DEAB C[C@@H](c1ccncc1)N(C)C(=O)[C@@H](C)NC(=O)c1ccco1 71829890 VRKKSBVVFIBARZ-NEPJUHHUSA-N 301.346 2.013 0 40 DEAB C[C@@H]1CN(C(=O)Cc2ccc(-n3cccn3)cc2)CC(C)(C)O1 71831194 ZLUSVDKJWBYZNN-CQSZACIVSA-N 313.401 2.441 0 40 DEAB C[C@H]1CN(C(=O)NCCc2coc(-c3ccccc3)n2)CCO1 72313364 QMSABYOHUYEAGE-ZDUSSCGKSA-N 315.373 2.314 0 40 DEAB Cc1ccc(CCNC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cn1 97049381 AJQPAUYFXDBGBA-HOTGVXAUSA-N 305.422 2.125 0 40 DEAB COc1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)ccc1C 72272185 CQZUOBICYMFYEE-CQSZACIVSA-N 300.362 2.072 0 40 DEAB Cc1ccc(-c2cc(CNC[C@@H]3CN(C)CCO3)on2)cc1 72267916 VLPVHMYRQJLMOC-MRXNPFEDSA-N 301.390 2.070 0 40 DEAB COc1ccc(CN2CCc3ncnc(N(C)C)c3C2)cc1F 97202618 GARFCRSNQXFMQO-UHFFFAOYSA-N 316.380 2.249 0 40 DEAB COc1ccccc1C(=O)Nc1cncc(-c2nncn2C)c1 95436291 AKTXCNFTOJORDI-UHFFFAOYSA-N 309.329 2.138 0 40 DEAB CS[C@@H](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 95400504 DWWXIWLBJVURGT-GOEBONIOSA-N 322.474 2.145 0 40 DEAB O=C(Cc1ccn[nH]1)N(Cc1ccccc1)CC1(O)CCCC1 95417465 JWVMWWVVUFIBGW-UHFFFAOYSA-N 313.401 2.286 0 40 DEAB C[C@]1(c2ccccc2F)NC(=O)N(CCc2ccncc2)C1=O 95956306 DJFCOSKWESNMSX-QGZVFWFLSA-N 313.332 2.230 0 40 DEAB CC1=C(C(=O)N(CCN(C)C)Cc2cccc(O)c2)CCCO1 95976910 FSFCBXUOTKCHET-UHFFFAOYSA-N 318.417 2.367 0 40 DEAB COc1ncnc(N(C)C)c1NC(=O)Cc1cc(F)ccc1F 89322817 RWMDHVXCYHTSGD-UHFFFAOYSA-N 322.315 2.011 0 40 DEAB CCc1nncn1CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 75144794 CPZNMWSMTFIHIG-CHWSQXEVSA-N 318.808 2.414 0 40 DEAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N1C[C@H]2CCC[C@H]2C1 89853223 SLXNUMYKWFIRJR-OKILXGFUSA-N 309.369 2.105 0 40 DEAB COc1ccc(-c2cnn3c(N)c4c(nc23)CCC4)cc1OC 61721615 PKPHCARQDKLJNC-UHFFFAOYSA-N 310.357 2.484 0 40 DEAB COc1ccc2cc(C(=O)O[C@@H]3CCOC3=O)c(C)nc2c1 10725553 JSZWLQYMKKGGEW-CQSZACIVSA-N 301.298 2.024 0 40 DEAB C[C@@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)C[C@@H](C)O1 31865054 RCSYPTCFSOBTKW-VXGBXAGGSA-N 317.414 2.383 0 40 DEAB C[S@](=O)c1nncn1Cc1ncc(-c2ccc(Cl)cc2)o1 78995884 KXIALUAIXIADEP-OAQYLSRUSA-N 322.777 2.372 0 40 DEAB C[C@@H](CN(C)C(=O)c1cc(-c2cccc(F)c2)no1)C(=O)O 554340981 CJNNILSAINKAKC-VIFPVBQESA-N 306.293 2.273 0 40 DEAB CC(C)C[C@@H]1C(=O)NCCN1C(=O)c1nccc2ccccc12 188979833 PHDIGFCFPJMYNP-OAHLLOKOSA-N 311.385 2.222 0 40 DEAB Cc1nc(C(F)(F)F)nc(NC[C@]2(O)CCCNCC2)c1C 72172677 ROBMNEPRUBVARI-ZDUSSCGKSA-N 318.343 2.029 0 40 DEAB Cc1ccc(F)c(OC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c1 78126045 HJWKDUWFVFWFHN-VIFPVBQESA-N 319.254 2.450 0 40 DEAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccncc2)c1 72329248 MMRJTEZRQLEOAP-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB O=C(NCCN1CCOCC1)N1CCCCC[C@H]1c1ccco1 77538585 UOYUHHFPJSJSQV-HNNXBMFYSA-N 321.421 2.239 0 40 DEAB CC(=O)N1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C 72219435 CGHKZXHMKMKTCU-MRXNPFEDSA-N 303.406 2.300 0 40 DEAB CC(=O)N1CCC(c2nc(C)ncc2-c2cc(C)no2)CC1 72334652 YTCVQFMIAOVJHW-UHFFFAOYSA-N 300.362 2.474 0 40 DEAB c1ccc(-n2ncc3c(NCc4ccncc4)ncnc32)nc1 41529183 VNMOQUJZXSWVJS-UHFFFAOYSA-N 303.329 2.218 0 40 DEAB COc1cccc(OCC(=O)NCCN(C)c2ccccc2)c1 48400823 OTRWWNXGSBUDNU-UHFFFAOYSA-N 314.385 2.327 0 40 DEAB CCC[C@@H]1C[C@@H](C(=O)NCc2nc3cccnc3[nH]2)CCO1 193180377 ZRCNBUGNAOBTSU-NWDGAFQWSA-N 302.378 2.169 0 40 DEAB CCS(=O)(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 83066077 NYGGQJDQLDBNPB-UHFFFAOYSA-N 309.309 2.469 0 40 DEAB CC[C@H](C)Oc1cc(CNc2ccnc(C(N)=O)c2)ccn1 192772058 NKZBQQCWIZBZHP-NSHDSACASA-N 300.362 2.365 0 40 DEAB COCCn1ccc(NC(=O)N[C@@H](c2nccs2)C2CC2)n1 96434493 NEGTYEUKYFKKJY-GFCCVEGCSA-N 321.406 2.259 0 40 DEAB COc1ncc(NC(=O)c2cccc(F)c2)c(N2CCCC2)n1 96121386 SKXBLKWQYUWJOR-UHFFFAOYSA-N 316.336 2.477 0 40 DEAB COC[C@H]1CN(CC2CC2)Cc2cnn(CC3CCOCC3)c21 96068357 DIQAQOSMRVIJAI-QGZVFWFLSA-N 319.449 2.265 0 40 DEAB CC(C)(C)OC(=O)N1CCc2nc(Br)cn2CC1 91302986 OFZXWNMTSRHNSU-UHFFFAOYSA-N 316.199 2.439 0 40 DEAB O=S(=O)(C1CCCCC1)N1CCN(c2ccccc2O)CC1 96427608 AQTYNTMCIKTRLD-UHFFFAOYSA-N 324.446 2.177 0 40 DEAB CCN1CCC[C@H]1CNC(=O)Cn1ccc2ccc(F)cc21 95472597 AREKDMPLZWKITQ-HNNXBMFYSA-N 303.381 2.381 0 40 DEAB CCn1cc(CNc2ccccc2N2CCC(O)CC2)cn1 97104184 XAADSGVTQOJWFA-UHFFFAOYSA-N 300.406 2.476 0 40 DEAB Cc1cc(C)n(-c2ccc([C@@H](C)NC(=O)c3c[nH]nn3)cc2)n1 96449763 FWZZFSZHPXXWCE-GFCCVEGCSA-N 310.361 2.098 0 40 DEAB c1coc(CN2CC3(C[C@H](OCC4CCOCC4)CCO3)C2)c1 247944743 JMIBZYOKFIAGFY-MRXNPFEDSA-N 321.417 2.456 0 40 DEAB Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3cccs3)CCO2)n1 257293932 QRTIJHOTCRSDMC-HNNXBMFYSA-N 317.414 2.176 0 40 DEAB O=C(CCn1cnc2ccccc21)N1CC[C@@H](c2ccn[nH]2)C1 257248530 JEBOLCJNCORWHK-CYBMUJFWSA-N 309.373 2.166 0 40 DEAB O=C(O)c1cccc(C(=O)NCCc2cnc(C3CC3)nc2)c1 262811085 PESKFAAJFFOBHC-UHFFFAOYSA-N 311.341 2.025 0 40 DEAB O=C(C1CCCC1)N1CC[C@@](O)(COc2ccc(F)cc2)C1 585274741 MZWFCLBWRHAHIX-KRWDZBQOSA-N 307.365 2.358 0 40 DEAB CC(=O)OC[C@@H]1C[C@@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 45331694 NGABCYSYENPREI-RYUDHWBXSA-N 302.367 2.192 0 40 DEAB in-vitro CCN1C[C@@H](C(=O)N[C@H]2CCOc3c(Cl)cccc32)CC1=O 56996820 ZXAWQMSNWJBJCY-GWCFXTLKSA-N 322.792 2.148 0 40 DEAB CCCc1n[nH]c(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 53683923 ZTIBJTVSKCRXMO-VXGBXAGGSA-N 324.450 2.019 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1ccc2ccccc2c1 106517089 SMTVLYDKWJXNJW-ZWKOTPCHSA-N 310.397 2.433 0 40 DEAB COc1ccc(CN2CCN(c3ncncc3C)CC2)cc1F 641262076 ACWAVHBCBUWIPJ-UHFFFAOYSA-N 316.380 2.255 0 40 DEAB O=C(CCOCc1ccccc1)N[C@@H]1c2ccccc2C[C@H]1O 81701465 UGNDEFGDTUBJMU-IEBWSBKVSA-N 311.381 2.368 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)s1 95975999 LODVPUVXDUOPSG-VXGBXAGGSA-N 303.449 2.194 0 40 DEAB CC(=O)Nc1ccc(F)c(NCC(C)(C)S(C)(=O)=O)c1 95978136 NSGRPTHLXMZZEP-UHFFFAOYSA-N 302.371 2.019 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1c(F)cccc1Br 1083806369 ODFSYEGEWAJFSR-ZANVPECISA-N 302.187 2.491 0 40 DEAB Brc1cnn(CC2CN(C[C@@H]3CCCOC3)C2)c1 1889065075 OTVHPQFNDYZKFV-NSHDSACASA-N 314.227 2.004 0 40 DEAB O=C(Cc1cccc(C(F)(F)F)c1)N1CC[C@H](n2ccnn2)C1 206932665 JUUQTAIRBHQKIX-ZDUSSCGKSA-N 324.306 2.313 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@@H](O)c2ccc(F)cc2F)cc1 31311049 HGDCWCAKFCFCSR-MRXNPFEDSA-N 320.339 2.494 0 40 DEAB Cc1ccc(OCC2CCN(c3nc(C)ns3)CC2)nn1 1776009777 QASDXLIELMZYRT-UHFFFAOYSA-N 305.407 2.240 0 40 DEAB COc1ccnc(N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 1776008478 HNVBQYBJNLVRCN-HZPDHXFCSA-N 310.401 2.053 0 40 DEAB O=C(CC(F)(F)F)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 244986202 JKEIGHPUCVWSTP-MGCOHNPYSA-N 321.274 2.374 0 40 DEAB CCCc1nnsc1C(=O)NC[C@H](O)c1cc(C)oc1C 1565520413 SDBDKNIMUKCPSG-LBPRGKRZSA-N 309.391 2.164 0 40 DEAB CCOc1ccc(N(C(=O)C(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1 5070942 RWFNYRASKXLJRH-CQSZACIVSA-N 323.414 2.385 0 40 DEAB O=C1Cc2cc(NS(=O)(=O)Cc3cccc(F)c3)ccc2N1 10063842 FLSQDPMAHVVEEZ-UHFFFAOYSA-N 320.345 2.262 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)cc1 10088817 XJKOPTFWZAZQMN-AWEZNQCLSA-N 308.403 2.169 0 40 DEAB CC(C)c1nccc(N2CCN(Cc3cnn(C)c3)[C@@H](C)C2)n1 2298031353 LXZVFXIZZRDYBL-AWEZNQCLSA-N 314.437 2.044 0 40 DEAB O=C(Nc1cccc(Cl)c1)N1CCN(c2cnccn2)CC1 10465697 NJSXYXCDPMYAJX-UHFFFAOYSA-N 317.780 2.484 0 40 DEAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]21 100559183 WUBBQKFOTWRYOJ-XLNGHYISSA-N 318.332 2.041 0 40 DEAB C[C@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn23)CCO1 40479681 ANGBKKQFMMBREB-QRGHLMKCSA-N 305.765 2.248 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)CCO1 40479533 BSNKZQWGADTWDE-SECBINFHSA-N 309.309 2.115 0 40 DEAB CCN(CC(=O)NC)C(=O)c1sc(-c2ccc(C)o2)nc1C 31420128 DJWCQJVNGPAISH-UHFFFAOYSA-N 321.402 2.228 0 40 DEAB Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)N(C)c1ccccc1 31665284 FCUYBDWLZNYDHX-UHFFFAOYSA-N 321.354 2.224 0 40 DEAB CCCc1sc(C(=O)N[C@H]2CCS(=O)(=O)C2)cc1CC 32784434 KVDIZEOLGFXNJI-NSHDSACASA-N 315.460 2.180 0 40 DEAB Cc1ccc(F)c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 32815976 SOLHGKZIDRCFBX-SECBINFHSA-N 318.270 2.483 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 184839 XUNLVOUGWVSRBR-UHFFFAOYSA-N 316.338 2.333 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 2649098 BWLLMIWFDZZVKE-FZMZJTMJSA-N 310.419 2.312 0 40 DEAB C[S@@](=O)CCNC(=O)Nc1ccc(OCC(F)(F)F)cc1 76068888 IOLYJBKBIQZZEA-NRFANRHFSA-N 324.324 2.128 0 40 DEAB CC(C)[C@]12C[C@H](COCc3ccccc3)OC1=NC(=O)NC2=O 1563713 NMUBLEHIFUIDAZ-DYVFJYSZSA-N 316.357 2.283 0 40 DEAB O=C(Cc1c[nH]c2ccc(Cl)cc12)NC[C@]1(O)CCSC1 78987125 TUOSCACUNKHQDM-OAHLLOKOSA-N 324.833 2.348 0 40 DEAB Cc1c(C(=O)NCCNc2ccccn2)c(=O)oc2ccccc12 79062335 PJQDHRKNXMKAPR-UHFFFAOYSA-N 323.352 2.338 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)N1CC[C@H](C(N)=O)C1 79018312 QNLBIKDSYPCCDL-JTQLQIEISA-N 310.781 2.076 0 40 DEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1COC(C)(C)O1 79107412 RZRSQZDGOCIZLO-MFKMUULPSA-N 313.781 2.375 0 40 DEAB COc1c(C)cc(S(=O)(=O)NCc2ccncc2)c(C)c1C 4932235 PHTKYSBEGJGOHW-UHFFFAOYSA-N 320.414 2.494 0 40 DEAB COc1ccccc1N1C[C@H](C(=O)Nc2cccnc2)CC1=O 12324703 GWRUMWIRUBRQCI-GFCCVEGCSA-N 311.341 2.082 0 40 DEAB COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)cc1OC 12371268 UWWAEENHWBMAAA-MRVPVSSYSA-N 305.359 2.217 0 40 DEAB COc1ccc(OC)c2c1CN(c1cccc(C)n1)C[C@H]2O 97163235 HJSRNAXMAVEVCK-CYBMUJFWSA-N 300.358 2.461 0 40 DEAB C[C@H](CNCc1c[nH]nc1-c1ccc(F)cc1)N1CCOCC1 42201677 OVVMKQUKROHRPX-CYBMUJFWSA-N 318.396 2.026 0 40 DEAB COc1ccc(CNCc2ccc(N(C)C)nc2)cc1OC 42227388 OPZVIXXNFSOEPA-UHFFFAOYSA-N 301.390 2.455 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N2Cc3ccccc3C2)cc1 106231737 FJQKLXOGFVTXCM-UHFFFAOYSA-N 316.382 2.350 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1 107265674 ZRCMJTBHHWHGNO-KEYYUXOJSA-N 315.369 2.445 0 40 DEAB O=S1(=O)CCN2C(=N1)SC(c1ccco1)=C2c1ccco1 3272804 BPCLLMMFONKMEE-UHFFFAOYSA-N 322.367 2.447 0 40 DEAB Cn1cc(NC(=O)C2(c3cccc(F)c3)CCOCC2)cn1 57207532 ZMSVKYDABPIHTB-UHFFFAOYSA-N 303.337 2.246 0 40 DEAB NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F 44556234 OKSRHPKFJDNMIZ-SNVBAGLBSA-N 322.352 2.207 0 40 DEAB C[C@H](CCNC(=O)NCCNc1cnccn1)c1ccccc1 58249079 MTQSGWNMQACYMC-CQSZACIVSA-N 313.405 2.382 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2 102971622 HUJYLSHMKQOJDV-JHJVBQTASA-N 311.495 2.286 0 40 DEAB NS(=O)(=O)c1cnc(N[C@H]2CCc3ccc(F)cc32)s1 95389620 PYBIBQPQDCWLRX-JTQLQIEISA-N 313.379 2.029 0 40 DEAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1nccs1 44970728 LAPWXIBRSZOHKX-QMMMGPOBSA-N 308.329 2.149 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(c2ccc(OCC(F)(F)F)cc2)C1 44979051 QZMYTVDIHVJQAL-MRVPVSSYSA-N 303.236 2.065 0 40 DEAB COc1cccc(CO[C@H](C)C(=O)NCCc2cccnc2)c1 44935224 JSBHTVJLGXCBMP-CQSZACIVSA-N 314.385 2.354 0 40 DEAB c1ccc(-n2nnnc2Sc2ccc3nccnc3n2)cc1 95395414 GPIDCSOZCPZMNT-UHFFFAOYSA-N 307.342 2.152 0 40 DEAB Cc1cc(Nc2ccccc2N2CCOCC2)n2ncnc2n1 2221707 KJLAQAIKYLVRTQ-UHFFFAOYSA-N 310.361 2.013 0 40 DEAB C[C@@H](NC(=O)NCC1(c2ccccc2)CCC1)c1nncn1C 45370940 RBZVYHKSQGNMIN-CYBMUJFWSA-N 313.405 2.297 0 40 DEAB CCCc1cc(O)nc(S[C@H](C(N)=O)c2ccccc2)n1 11241506 OREWTXXIPZDSJX-ZDUSSCGKSA-N 303.387 2.453 0 40 DEAB COc1cccc(-c2cc(C(F)F)nc(N3CCNCC3)n2)c1 2554303 IHWCJMXEBIQCQQ-UHFFFAOYSA-N 320.343 2.499 0 40 DEAB NC(=O)Cn1c(SCc2ccccc2F)nnc1C1CC1 46029174 VKHNDEBYYQEFJC-UHFFFAOYSA-N 306.366 2.072 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)c1ccc(-n2cnnn2)cc1 12922768 CSCOUHAXDHDSLL-LBPRGKRZSA-N 323.356 2.162 0 40 DEAB C[C@H](NC(=O)CSc1nncn1C)c1ccc(F)cc1F 6063324 MCBSGQVXYBLQSU-QMMMGPOBSA-N 312.345 2.063 0 40 DEAB O=C(NCCCNC(=O)c1ccco1)c1ccc(Cl)cc1 5015315 DYFFTYOPMTUMTO-UHFFFAOYSA-N 306.749 2.483 0 40 DEAB C[C@@H](CC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1 49909945 PKQZTXMQXOKWJB-HNNXBMFYSA-N 310.401 2.319 0 40 DEAB CCN(C)CCNC(=O)C1(c2ccc(Cl)cc2)CCOCC1 65414452 GOTWAZDBRGKZQA-UHFFFAOYSA-N 324.852 2.456 0 40 DEAB CN(C)C(=O)c1cccc(CN2CCC[C@@H]2c2cnn(C)c2)c1 71797146 IISZGUJEGFMERV-QGZVFWFLSA-N 312.417 2.459 0 40 DEAB Cc1cccc(CCNC(=O)N2CCC3(CC2)OCCO3)c1 65591344 HQMIGALEDBCJLS-UHFFFAOYSA-N 304.390 2.086 0 40 DEAB CC(C)[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)N(C)C 23195894 AGYIEQXKTZNEJK-OAHLLOKOSA-N 302.422 2.198 0 40 DEAB CN(CCN1CCOCC1)Cc1ccc(F)c2cccnc12 65621876 KQBQRKMIVQDMNM-UHFFFAOYSA-N 303.381 2.138 0 40 DEAB O=c1c2ccsc2ncn1Cc1noc(Cc2ccccc2)n1 68042689 YGCLIMDDVIIGES-UHFFFAOYSA-N 324.365 2.480 0 40 DEAB c1cc(CNc2ccc3nnc(C4CC4)n3n2)c2c(c1)OCCO2 80981519 VHTQHMNSOQMPQY-UHFFFAOYSA-N 323.356 2.385 0 40 DEAB O=C(Nc1cc(C2CCOCC2)[nH]n1)c1ccnc(C2CC2)n1 81100510 DCLRSJFRGKFFFT-UHFFFAOYSA-N 313.361 2.223 0 40 DEAB Cc1cc(N2CCCC2)ccc1NC(=O)CSc1ncn[nH]1 9321961 SPWOWNKQAPSZRR-UHFFFAOYSA-N 317.418 2.444 0 40 DEAB C[C@@H]([C@@H](C)NCc1cnc(N2CCCC2)nc1)n1cccn1 69372297 IWNZZCCFMRGWJO-KGLIPLIRSA-N 300.410 2.013 0 40 DEAB Cc1cccc(OCC(=O)Nc2ncn(Cc3cccnc3)n2)c1 69419257 PSSXLOHSRKZKBK-UHFFFAOYSA-N 323.356 2.047 0 40 DEAB Cc1ccc([C@H]2[C@H](C(=O)O)CC(=O)N2Cc2c(C)noc2C)o1 69492353 MICKXOZQHJKKGO-IAQYHMDHSA-N 318.329 2.367 0 40 DEAB CN(Cc1cccc(Cl)c1)C(=O)NCCC(=O)N1CCCC1 69420433 DNLNLXQKGPPMIS-UHFFFAOYSA-N 323.824 2.494 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccco2)c2ccccc2O1 69417590 BWZLICZGYRPJMN-HVHJFMEUSA-N 313.309 2.260 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)NCCCN2CCCCC2)c1 69568606 QUQXBTUKBNPJJH-UHFFFAOYSA-N 321.396 2.390 0 40 DEAB CC(C)(C(=O)NCc1nnc2n1CCCC2)c1ccccc1F 69653379 BJUPOMRPNZOJJB-UHFFFAOYSA-N 316.380 2.348 0 40 DEAB Cc1noc(C)c1CN(C)C[C@H]1CCCN1c1cccnn1 71859959 LZBXHEDKFULWAX-CQSZACIVSA-N 301.394 2.182 0 40 DEAB O=C(C[S@@](=O)Cc1ccccc1C(F)(F)F)NCC1CC1 71858821 DWDBPLKQTJEWTI-OAQYLSRUSA-N 319.348 2.480 0 40 DEAB O=C(Nc1cc(-c2ccc3c(c2)CCC3)no1)[C@@H]1COCCO1 95399118 BNOBWTNPLUWGRJ-HNNXBMFYSA-N 314.341 2.184 0 40 DEAB CO[C@H]1CCCC[C@H]1OC(=O)C1CCN(C(=O)C2CC2)CC1 83897714 UGRCCTOJLJLCRP-LSDHHAIUSA-N 309.406 2.136 0 40 DEAB C[C@@H]1CCCN(C(=O)CS(=O)(=O)C/C=C/c2ccccc2)C1 84697464 QASWNVAMLFLICD-WCLQSUPFSA-N 321.442 2.373 0 40 DEAB COC(=O)[C@H](C)CNC(=O)Nc1cccc(Br)c1 84638427 NOGUWUXYATWHFW-MRVPVSSYSA-N 315.167 2.380 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CN(C)CCO2)c(OC(C)(C)C)c1 84795713 RLNINOJCIZNFQT-INIZCTEOSA-N 320.433 2.119 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC1=NCCS1 9743940 QSXJQBOPSDYTQW-DGCLKSJQSA-N 319.430 2.050 0 40 DEAB CN1C(=O)CCc2cc(NS(=O)(=O)c3cccs3)ccc21 9828243 MNZNPNUYLNVRCT-UHFFFAOYSA-N 322.411 2.458 0 40 DEAB Cc1ccncc1NC(=O)NC1(C(=O)NCC2CC2)CCCC1 97083065 AKUUKRIKPJIBON-UHFFFAOYSA-N 316.405 2.351 0 40 DEAB O=C(CC1(O)CCCCC1)NC[C@@]1(O)CCc2ccccc21 95434781 QVMKFSRLUHUYKO-SFHVURJKSA-N 303.402 2.022 0 40 DEAB C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2cccnc12 95976004 PSRVBEAWUOCUNJ-OCCSQVGLSA-N 320.414 2.159 0 40 DEAB CC(C)c1nc(C(=O)N(CCO)Cc2cccnc2)cs1 95977776 BUFGWXGTWHIRRH-UHFFFAOYSA-N 305.403 2.296 0 40 DEAB O=C(NCCCOC1CCOCC1)N1C[C@H]2CC=CC[C@@H]2C1 74543358 SDMOREAOVVCXTP-HUUCEWRRSA-N 308.422 2.180 0 40 DEAB O=C(c1cccnc1Cl)N1CCC(O[C@@H]2CCOC2)CC1 75093542 DKINYYWYRBAILU-GFCCVEGCSA-N 310.781 2.145 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)N[C@H](C)Cc1c(C)noc1C 89568477 VZCFUMCMTJDJRC-SNVBAGLBSA-N 318.377 2.051 0 40 DEAB CN(CC(N)=O)C(=O)CCCn1ccc2cc(Cl)ccc21 89746028 YXONOSXOCRFKCJ-UHFFFAOYSA-N 307.781 2.019 0 40 DEAB O=C(NC(C1CCCC1)C1CCCC1)N1CCO[C@@H](CO)C1 89818035 BHJNEQDHJSBLPC-OAHLLOKOSA-N 310.438 2.138 0 40 DEAB CC(C)(C(=O)N1CC[C@H](S(=O)(=O)c2ccccc2)C1)C1CC1 1551750601 YSJOGWIDVCSHFV-HNNXBMFYSA-N 321.442 2.497 0 40 DEAB Cc1nc(C)c(C(=O)N2CCN(CC(F)(F)F)CC2)s1 54483055 UQRAGHRZRGDIMA-UHFFFAOYSA-N 307.341 2.080 0 40 DEAB CN1[C@H]2CC[C@H]1CN(Cc1ccc(-n3cncn3)c(F)c1)CC2 537615468 HOHGXFVLXYDSGE-GJZGRUSLSA-N 315.396 2.075 0 40 DEAB O=C([C@@H]1CCC(=O)N1Cc1ccco1)N1CCc2ccccc2C1 72239634 QUUPYQHKSZROBJ-KRWDZBQOSA-N 324.380 2.356 0 40 DEAB Cc1ccc(NS(=O)(=O)c2cccnc2)c(CN(C)C)c1 73314374 WZVDOFWPTHTHKF-UHFFFAOYSA-N 305.403 2.252 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(C)cc1 33662986 OVSACNJGYGVYJL-BRSBDYLESA-N 302.370 2.213 0 40 DEAB CCn1nc(C)c(NS(=O)(=O)c2cnn(C(C)C)c2)c1C 72239171 IPTOCNKISVJGFR-UHFFFAOYSA-N 311.411 2.098 0 40 DEAB Cc1c(CN2CCC[C@@]2(C)C(=O)NC2CCCC2)cnn1C 72392232 WIRPHRXXTRNNFC-KRWDZBQOSA-N 304.438 2.142 0 40 DEAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC[C@H]1CCCO1 222749683 JOBMMGWRAGQBBX-GOEBONIOSA-N 318.417 2.109 0 40 DEAB CC(C)n1cc([C@H](C)NC(=O)c2conc2C(C)(C)N)cn1 568236831 VXLFGUOKXYSYMA-JTQLQIEISA-N 305.382 2.137 0 40 DEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1cccc(F)c1 223316263 NPTVFXHLZWANJJ-UHFFFAOYSA-N 322.317 2.369 0 40 DEAB COC(=O)c1cccc(NC(=S)NCc2ccncc2)c1 225333954 SQUDZJUVQIJYMK-UHFFFAOYSA-N 301.371 2.355 0 40 DEAB C[C@@H]1CN(C(=O)Cc2cnn(C)c2)c2cc(Cl)ccc2O1 81336373 TZFUIBBFGCNIGK-SNVBAGLBSA-N 305.765 2.430 0 40 DEAB O=C(N[C@@H]1CCCNC1)c1ccc(F)c(Br)c1 195542744 PYVFMKPUHBTOOK-SECBINFHSA-N 301.159 2.070 0 40 DEAB O=S(=O)(NCCCCOC1CCCCCC1)c1c[nH]cn1 96413255 ZMPIDBMGOPRGPQ-UHFFFAOYSA-N 315.439 2.208 0 40 DEAB COCCCNC(=O)CN1CCSC[C@H]1c1ccc(C)cc1 96407786 WZPMASNCWNSCDC-INIZCTEOSA-N 322.474 2.238 0 40 DEAB CC(C)n1ccc(CCNC(=O)[C@H]2Cc3cc(F)ccc3O2)n1 96418313 AXANHMOTXBDWAK-MRXNPFEDSA-N 317.364 2.266 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)CCc2cccc(Cl)c2)C1 96426642 DCYWMFWQXMMVSH-CYBMUJFWSA-N 310.781 2.230 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)c3cncc(C)c3)CC2)CO1 96105773 CBXMOBPWYXRIRD-HNNXBMFYSA-N 304.390 2.048 0 40 DEAB CN(Cc1ccccc1)C[C@@H](O)Cn1ccnc1-c1ccncc1 96435806 ASDPVRVEAVJQOD-GOSISDBHSA-N 322.412 2.438 0 40 DEAB COC(=O)Cn1ncc2c(N[C@@H](C)c3ccc(C)o3)ncnc21 96408643 ZOYBREWIWCLAPY-JTQLQIEISA-N 315.333 2.074 0 40 DEAB CC[C@@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)ccn1 96495029 DRGAGJKNOGQFOO-ZIAGYGMSSA-N 305.422 2.283 0 40 DEAB CCC(=O)N1CCC[C@]2(C[C@H](OCc3ccncc3)CO2)C1 96208547 ZZBVDFSLHANDNU-RDJZCZTQSA-N 304.390 2.158 0 40 DEAB C[C@@](Br)(C(=O)c1cccc(F)c1)S(C)(=O)=O 96518604 ZBOPKAPQPDYXMV-JTQLQIEISA-N 309.156 2.164 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1C 96261412 HZWBJICZUHIVIB-QIIPPGSGSA-N 315.392 2.297 0 40 DEAB COCCN1CCOC[C@]2(CCCN(Cc3ccsc3)C2)C1 96049459 HVIAUEIJXVHUEE-QGZVFWFLSA-N 324.490 2.309 0 40 DEAB O=C(C1CCN(CC(F)F)CC1)N1CCO[C@@H]2CCCC[C@@H]21 241465919 NSYMKAJBVAGJLV-UONOGXRCSA-N 316.392 2.134 0 40 DEAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)n1 257285921 PJLDMNKCUYQKBO-CQSZACIVSA-N 311.389 2.373 0 40 DEAB CCN1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCc1ccsc1 252503754 VGPPIJNQOQLLFG-HUUCEWRRSA-N 308.447 2.002 0 40 DEAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@H](c2ccn[nH]2)C1 257264111 LSZYCIRIWUFMBL-AWEZNQCLSA-N 322.372 2.010 0 40 DEAB O=C(O)c1ccc(CNC(=O)c2cnc([C@@H]3CCCO3)s2)o1 262756529 JTGPAEUBDRKQNL-VIFPVBQESA-N 322.342 2.216 0 40 DEAB O=C1C[C@]2(CCN(C(=O)c3cccnc3)C2)Oc2ccccc21 96367166 YFXSTYZUVBDWEC-SFHVURJKSA-N 308.337 2.332 0 40 DEAB Cc1cc(N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C2)ncn1 396181752 JOWKCJFVJATJJZ-STQMWFEESA-N 304.394 2.088 0 40 DEAB CC(C)(C)c1cc(N2CCN(c3ncc(F)cn3)CC2)ncn1 663802047 VWRMWXFFRLGYAG-UHFFFAOYSA-N 316.384 2.030 0 40 DEAB CCn1cnnc1CNC(=O)N1CCC[C@@H]1Cc1ccccc1 46964866 LFCFWIUCMDSXDA-OAHLLOKOSA-N 313.405 2.215 0 40 DEAB Cc1nc(CCNCc2cccc(OC(F)(F)F)c2)n[nH]1 95455750 NDILUYRIRGWETN-UHFFFAOYSA-N 300.284 2.344 0 40 DEAB Cn1cc(S(=O)(=O)N2CCC(c3cccs3)CC2)cn1 96120605 SOTYNOMNPREHNN-UHFFFAOYSA-N 311.432 2.050 0 40 DEAB COCCN1Cc2cc3cc(C)ccc3nc2O[C@@H](C)C1=O 12115604 WQIVFYYTHJXMDI-LBPRGKRZSA-N 300.358 2.299 0 40 DEAB CC(C)(C)c1csc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)n1 17066424 RUQGRUXMYOOQJC-URPMGSGRSA-N 324.402 2.257 0 40 DEAB COC1(CNC(=O)NC2CCOCC2)C2CC3CC(C2)CC1C3 225558919 UNJDRVFBPUQRFN-UHFFFAOYSA-N 322.449 2.306 0 40 DEAB Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 252527990 DXFKTMHKDVBNGM-JOCQHMNTSA-N 316.361 2.201 0 40 DEAB Cc1cc(CCNC(=O)c2nc3ccccc3s2)nn1C 245180687 ZGTIPHBSHOGKHG-UHFFFAOYSA-N 300.387 2.311 0 40 DEAB COC[C@H]1CN(C(=O)[C@@]2(C)CC=CCC2)Cc2cn(C)nc21 1142541324 CHBNOIGMGJVJDY-PBHICJAKSA-N 303.406 2.239 0 40 DEAB C[C@@H]1CN(c2ncc(Cl)cn2)CCN1Cc1ccncc1F 2086884811 DAWGRTNPCQZRTN-LLVKDONJSA-N 321.787 2.375 0 40 DEAB O=C(N1C[C@H]2C[C@H]1C[C@@H]2OCc1cccnc1)C1(F)CCC1 1565553926 MUAFPODMNUYKRS-ILXRZTDVSA-N 304.365 2.480 0 40 DEAB CSc1cccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 4517525 WMMIZGNPRPYMKD-UHFFFAOYSA-N 322.411 2.308 0 40 DEAB O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1ccc(F)c(F)c1 9171981 VTHKBXXLBASAAX-UHFFFAOYSA-N 318.279 2.339 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3ncnc4ccccc34)C2)nc1 2086889775 ZTHYCEXOHOEPQK-GFCCVEGCSA-N 323.356 2.086 0 40 DEAB CC(C)[C@H](Cn1ccnn1)NC(=O)Cn1ccc2ccccc21 575617592 XRARKJJIDNJVSF-HNNXBMFYSA-N 311.389 2.074 0 40 DEAB Cc1cc(O[C@@H]2CCN(C(=O)Cc3cccs3)C2)nc(C)n1 585147392 LULFLWPOSGMTFC-CYBMUJFWSA-N 317.414 2.377 0 40 DEAB O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(F)cc1F 3286370 OIILHDLZIHRDBE-UHFFFAOYSA-N 302.236 2.101 0 40 DEAB Cc1ccccc1OCCN1C(=O)N[C@](C)(c2ccco2)C1=O 30343145 PTFLNNVRDBOAJC-QGZVFWFLSA-N 314.341 2.434 0 40 DEAB Cc1nnc(SCC(=O)Nc2cccc3ccccc23)n1N 36408 WJBSOCJTJLRGEV-UHFFFAOYSA-N 313.386 2.184 0 40 DEAB Cc1ccc([C@H](CNC(=O)c2cccs2)N2CCOCC2)o1 40477363 BYKSDWAWCJPFJK-ZDUSSCGKSA-N 320.414 2.453 0 40 DEAB Cc1ccc(NC(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Cl 32779562 NQZZZGGAZZNACG-SNVBAGLBSA-N 316.810 2.205 0 40 DEAB CC[C@H]1CCc2sc(C(=O)N3CC[C@@H](C(N)=O)C3)cc2C1 41129038 KBUUZPZUFVFCTR-WDEREUQCSA-N 306.431 2.210 0 40 DEAB O=C(NCCc1nnc2n1CCCCC2)c1ccccc1F 32872039 LIKCRESFJIQPOQ-UHFFFAOYSA-N 302.353 2.116 0 40 DEAB Cc1nc2ccccc2c(=O)n1CCC(=O)NCc1ccco1 32809249 XPDICTVNLJCNGJ-UHFFFAOYSA-N 311.341 2.004 0 40 DEAB COc1ccc2c(c1)c(C(=O)CNC1=NCCS1)c(C)n2C 117589 FOESHTHYLANFRY-UHFFFAOYSA-N 317.414 2.370 0 40 DEAB O=C(NCc1cccnc1)C1CCN(C(=O)C2CCCC2)CC1 29708650 IBKIYCMPTVHZKO-UHFFFAOYSA-N 315.417 2.127 0 40 DEAB Cc1ccc(N(C)C(=O)Cc2ccc(-n3cnnn3)cc2)cc1 60352238 FNRIGFXTPJAHGI-UHFFFAOYSA-N 307.357 2.176 0 40 DEAB Cc1cc(C)n(-c2nncn2NC(=O)c2cccc(Cl)c2)n1 565116 IDVNAPBDTSIFOW-UHFFFAOYSA-N 316.752 2.118 0 40 DEAB C[C@@H]1CN(C)c2ccccc2N(Cc2cc(=O)c(O)co2)C1 76040471 PZOHBXQUTODKGV-GFCCVEGCSA-N 300.358 2.438 0 40 DEAB CN(CCO)C(=O)Nc1ccc(OC(F)F)c2ncccc12 78801243 FWZDRUNZPRBFLX-UHFFFAOYSA-N 311.288 2.292 0 40 DEAB Cc1ccc(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)c(C)c1 79013840 QHCPEHRPBNZAPI-UHFFFAOYSA-N 323.336 2.098 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1C1CCCCC1 79985351 BAWCIPMJPIZPOY-RDJZCZTQSA-N 323.481 2.461 0 40 DEAB COc1ccc(F)cc1C(=O)Nc1ccc(F)c(C(N)=O)c1 33065040 CZISYJCOIOHXPD-UHFFFAOYSA-N 306.268 2.325 0 40 DEAB COC(=O)[C@@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(C)C 540140 KQHNQHJUGAJUMT-ZDUSSCGKSA-N 310.350 2.023 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NC1C2CC3CC(C2)CC1C3 6698266 ZBZQEVZNRMYSMZ-MEXZZXJJSA-N 315.413 2.450 0 40 DEAB COC(=O)/C=C1/SCC(=O)N1CCCSc1ccccn1 103275767 QZGHZBHGPSDGRN-UKTHLTGXSA-N 324.427 2.154 0 40 DEAB Cc1cc(C)n(C[C@H](C)NS(=O)(=O)c2ccc(C)c(C)c2)n1 8714450 QFWAEPQITAZFRW-AWEZNQCLSA-N 321.446 2.484 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)C1(c2cccc(Cl)c2)CC1 46884502 QNXZJNBNXQRTGN-CYBMUJFWSA-N 322.836 2.209 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@@H](C)O[C@H](C)C3)cc(=O)oc12 22625899 DNLLXNSBTRHASX-GHMZBOCLSA-N 303.358 2.416 0 40 DEAB biogenic COc1ccc(CNC(=O)c2cccnc2N2CCCC2)cn1 24083309 PFQVIKFFIBOHPC-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB Cc1noc(C)c1CCC(=O)N[C@@H]1CCCc2c1cnn2C 24988831 FKYKJVLRMLAYGW-CQSZACIVSA-N 302.378 2.151 0 40 DEAB O=C1[C@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)N1c1ccccc1 1612030 USWUQRVKTQVBJU-IRXDYDNUSA-N 306.365 2.308 0 40 DEAB CC(C)CNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3249127 VGSVJWWAEBTJCD-UHFFFAOYSA-N 309.337 2.104 0 40 DEAB COc1ccc(SCC(=O)NC[C@H]2CCCO2)cc1OC 20035953 YOFOSEJKZDRTCX-LLVKDONJSA-N 311.403 2.091 0 40 DEAB CCN(CC)c1ccc(NC(=O)N[C@@H](C)Cn2cccn2)cn1 48173261 SZWOLSCRQFKAAW-ZDUSSCGKSA-N 316.409 2.335 0 40 DEAB O=C(O)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 62119897 IZKBDEXRBDRFOM-SSDOTTSWSA-N 324.185 2.089 0 40 DEAB O=C(O)CCN1C(=O)S[C@@H](Nc2ccc(Cl)cc2)C1=O 1858076 AYBCGDRCUYIRES-SNVBAGLBSA-N 314.750 2.248 0 40 DEAB COC[C@@H](C)NC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 48251795 CXRUELIPTBRHER-CHWSQXEVSA-N 317.393 2.005 0 40 DEAB COc1ccc(CN(C)C(=O)[C@@H](C)n2ccnc2)c(OC)c1 44842639 HGWQNSLZFXIKIZ-GFCCVEGCSA-N 303.362 2.120 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1 58266966 LECNWTJHIBFTFR-GFCCVEGCSA-N 309.337 2.250 0 40 DEAB Cc1nc2ccccc2nc1CN1C(=O)N[C@H](CC(C)C)C1=O 12792190 BTQYHIXYHPIAMJ-CQSZACIVSA-N 312.373 2.405 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(c3nccs3)CC2)o1 10673013 LANGHHIXZRMJSW-SNAWJCMRSA-N 303.387 2.407 0 40 DEAB COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCC[C@H](C)C1 36391748 XKHTVJNKMBOGHU-XJKSGUPXSA-N 321.417 2.369 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(N)n2)cc1 8753101 FEUOFORBFUNBMF-SNVBAGLBSA-N 318.402 2.495 0 40 DEAB CCc1cnc(C)nc1NCCSc1nnc(C)n1CC 65372519 NEEMGULZGREKNN-UHFFFAOYSA-N 306.439 2.471 0 40 DEAB Cc1ccc(-n2nnc(C(=O)Nc3nnc(C)s3)c2C)cc1 4483164 JFUUKBQRPYQQKC-UHFFFAOYSA-N 314.374 2.296 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 5461678 XQCAPQCPJODDFO-UONOGXRCSA-N 317.341 2.469 0 40 DEAB COc1cccc(CN2C(=O)c3ccccc3S2(=O)=O)c1 6639143 PVASPEWEOUMDER-UHFFFAOYSA-N 303.339 2.040 0 40 DEAB COCCNC(=O)N(C)C1CCN(C2CCC(C)CC2)CC1 66149196 VRDZPRSJAFGSJT-UHFFFAOYSA-N 311.470 2.317 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)Oc2cccc(-n3cnnn3)c2)cc1 14733931 XCVTUEGCUWQANN-CYBMUJFWSA-N 323.356 2.377 0 40 DEAB CC(=O)N1CCN(Cc2nc(Cc3ccccc3)cs2)CC1 96009344 YJICJTLIQJDTPJ-UHFFFAOYSA-N 315.442 2.398 0 40 DEAB Cc1cc(N)nc(S[C@H](C)C(=O)NCCc2ccccc2)n1 7177426 JSJLTGSLLFYCOA-GFCCVEGCSA-N 316.430 2.207 0 40 DEAB NC(=O)c1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 7541218 CILUKBBXTXMKFK-MRXNPFEDSA-N 310.353 2.184 0 40 DEAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2ccccc21 68155918 IWYRUHUGVAANNB-ZWNOBZJWSA-N 312.373 2.032 0 40 DEAB CS(=O)(=O)Cc1ccc(C(=O)NCCc2ccccc2)cc1 7609086 LBDCGDLFANAFPD-UHFFFAOYSA-N 317.410 2.204 0 40 DEAB COC(=O)C1CCN(Cc2cc(F)cc3c2OCOC3)CC1 16047120 JQQRVEJJVLWVGP-UHFFFAOYSA-N 309.337 2.077 0 40 DEAB CC1(C)CCC[C@H]1NC[C@@H](O)CS(=O)(=O)c1cccs1 90770273 NDCXAYIESODPFQ-VXGBXAGGSA-N 317.476 2.051 0 40 DEAB NC(=O)C1CCN(C(=O)c2cc3c(s2)CCCCC3)CC1 8133464 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Cc1cnn([C@H](C)[C@@H](C)NC[C@H](O)c2ccc3c(c2)OCO3)c1 72269814 UGYONDWQNZLQJA-NFAWXSAZSA-N 317.389 2.193 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)sc1C 72297342 ICZBWIRSTREGLL-CYBMUJFWSA-N 321.446 2.088 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC1CCN(c3nccs3)CC1)C2 97237311 PDUKSKVBHDWSBL-CQSZACIVSA-N 317.462 2.221 0 40 DEAB Cc1nn(C)c(Cl)c1CN1CCN(c2nccs2)CC1 97550237 ZULPWMYIDFBSHV-UHFFFAOYSA-N 311.842 2.161 0 40 DEAB COc1cccc(C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)c1O 97667668 QWEXALFXQVKOHB-CHWSQXEVSA-N 306.406 2.251 0 40 DEAB CCn1nc(C)c(C(=O)OC[C@H]2CN(CC(C)C)CCO2)c1C 95398699 ZPXHFFGGJDMEBO-OAHLLOKOSA-N 323.437 2.033 0 40 DEAB CSC[C@@H](C)C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 85263337 AWZVNHXKAAROBY-LLVKDONJSA-N 315.508 2.011 0 40 DEAB CC(C)SCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 74458163 CKYTVZAODVXPKG-ZDUSSCGKSA-N 319.492 2.086 0 40 DEAB CN1CC[C@H]2[C@H](CCCN2c2ncncc2Br)C1 89375280 DEZMKRXJFWVXIL-PWSUYJOCSA-N 311.227 2.160 0 40 DEAB COCCN1CCC(CNC(=O)c2cc3ccccc3[nH]2)CC1 89414377 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NC(=O)c1cccc(NC(=O)C[C@@H]2OC(=O)c3ccccc32)c1 36767850 RFUWHJLZNCGHLV-AWEZNQCLSA-N 310.309 2.026 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(OC)c(Cl)c1 40477714 JKHLZEYNYIOUTG-SECBINFHSA-N 313.785 2.385 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)NCc2ccnc(C)n2)c1 79036127 YTKAYJVPADBERC-LBPRGKRZSA-N 314.389 2.224 0 40 DEAB CC1=C(C(=O)O)[C@H](c2ccccc2C(F)(F)F)NC(=O)N1 44563660 YTQPPOIGOCNEIC-JTQLQIEISA-N 300.236 2.418 0 40 DEAB O=C1C[C@H]2[C@@H](CCN2CC2CCOCC2)N1c1ccsc1 503860643 WTMKHHSEQDDJEK-CABCVRRESA-N 306.431 2.354 0 40 DEAB CCCn1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)n1 41122162 LRPGOFSOKJFZFP-LBPRGKRZSA-N 303.366 2.004 0 40 DEAB S=C(Nc1ccc(N2CCOCC2)nc1)NC1CCCC1 224034742 SNQIVGTVLPKMML-UHFFFAOYSA-N 306.435 2.147 0 40 DEAB C[C@@H](C[S@](C)=O)N(C)C(=O)c1cc(F)cc2cccnc12 135629354 BRSWXLORTWORQW-CHNSCGDPSA-N 308.378 2.213 0 40 DEAB CC1(C(=O)Nc2ccc(OC3CSC3)cc2)COC(=O)OC1 225914107 URUQBEMLGKVGEJ-UHFFFAOYSA-N 323.370 2.292 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CCC(=O)NC1)c1ccc(-c2ccncc2)cc1 571544635 WWTFXIPSDPGLBF-CXAGYDPISA-N 323.396 2.452 0 40 DEAB CCn1cc(CN(C)C(=O)Cc2ccc3c(c2)CCCO3)cn1 572244969 KXIJPAFIJBRORS-UHFFFAOYSA-N 313.401 2.429 0 40 DEAB CN1CCN(c2c(Cl)cc(N)cc2Br)CC1 45885899 PRJDBKRUTKNBGZ-UHFFFAOYSA-N 304.619 2.437 0 40 DEAB CCOCCCNC(=O)c1ccn(-c2ccc3ccccn23)n1 96038041 WTNOUJDMZFTFGQ-UHFFFAOYSA-N 312.373 2.281 0 40 DEAB CC(C)S(=O)(=O)CCS(=O)(=O)[C@@H](C)c1ccc(F)cc1 96455452 MJYNTICYCWPVOA-NSHDSACASA-N 322.423 2.125 0 40 DEAB CO[C@H](C)c1nc(CN(C)C(=O)c2cnc(C)cn2)cs1 96455977 ICZOHELEKBLPFJ-SNVBAGLBSA-N 306.391 2.221 0 40 DEAB Cc1ccc(N[C@@H]2CO[C@@]3(CCN(c4nccs4)C3)C2)nn1 96072765 BCPTUODFPYGVNH-WFASDCNBSA-N 317.418 2.091 0 40 DEAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CCn1ccnn1 332090548 AYRWPFSMLOCHQZ-NWDGAFQWSA-N 302.353 2.342 0 40 DEAB C[C@@H]1SCCN(C(=O)C2CCN(c3cnccn3)CC2)[C@H]1C 96411138 WGDQMJBUGOVLAI-STQMWFEESA-N 320.462 2.045 0 40 DEAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N[C@@H](C)c1nc[nH]n1 96499797 LNQYOHDIKGHPTN-GXTWGEPZSA-N 301.394 2.495 0 40 DEAB Cc1ncsc1CN1C[C@@H]2COC[C@]2(CN2CCCCC2)C1 96217422 YKGIUSIFVDNIAY-WBVHZDCISA-N 321.490 2.386 0 40 DEAB C[C@H]1CCc2ccccc2N1CCC(=O)NN1CCCCC1=O 96444679 ACFSLZPJIGCFIL-AWEZNQCLSA-N 315.417 2.262 0 40 DEAB Cn1ccc2c(C(=O)NCCc3nnc4ccccn34)cccc21 95473859 HOKAPPDKAIQSKJ-UHFFFAOYSA-N 319.368 2.194 0 40 DEAB O=C1[C@H](Nc2ncccn2)CCN1c1ccc(Cl)c(F)c1 96486704 CNDMFSIXOHGPLN-GFCCVEGCSA-N 306.728 2.487 0 40 DEAB CCOC[C@@H]1CCC2(CCN(c3nnc(C)s3)CC2)N1C 96215457 GCBSVCLALQIKFK-ZDUSSCGKSA-N 310.467 2.316 0 40 DEAB NS(=O)(=O)C[C@@H]1CCCN1Cc1cc(Cl)ccc1Cl 96424233 FBJXRJWKAFBTLW-NSHDSACASA-N 323.245 2.246 0 40 DEAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@H]3C(=O)N3CCCC3)C2)cc1 248052943 BMQNCDQDHVKOGF-KZNAEPCWSA-N 314.429 2.207 0 40 DEAB COc1cccc(F)c1CN1CCC2(CC1)OCCC[C@H]2O 257275962 NRTJNNMPVGRNGJ-MRXNPFEDSA-N 309.381 2.340 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCNC[C@@H]2c2ccccc2)s1 257264569 LVAXXWXSMUPVOL-OAHLLOKOSA-N 315.442 2.476 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccn2C)[C@H](c2ccccc2)C1 257228038 FSARXMLEOGJROK-KRWDZBQOSA-N 311.385 2.071 0 40 DEAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2C(=O)c2cccc(C)n2)C1 257284963 PFBJDMVZPOOXCS-NVXWUHKLSA-N 315.417 2.253 0 40 DEAB CO[C@@H]1CCCOC12CCN(C(=O)c1scnc1C)CC2 257281694 OQNTYBWWOXRBJA-GFCCVEGCSA-N 310.419 2.252 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCNC[C@H]1c1ccccc1 257301527 RYWBXZRCQDAFGT-HNNXBMFYSA-N 311.385 2.340 0 40 DEAB Cn1nc(CNC(=O)c2cc(C3CC3)on2)cc1-c1ccco1 85471366 VXHMSDQTHNEQPP-UHFFFAOYSA-N 312.329 2.476 0 40 DEAB O=C(NCc1cccc(CN2CCCC2)c1)Nc1nncs1 43128953 HCIXMOMWXMJRGU-UHFFFAOYSA-N 317.418 2.456 0 40 DEAB O=C(Cc1ccccc1)N[C@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1 585110243 JCDRZMWEJIPYRD-OTWHNJEPSA-N 321.424 2.403 0 40 DEAB O=C(NCC[C@H]1CN(Cc2ccccc2)Cc2ccnn21)C1CC1 585111774 BQJHKPHVXFHWOV-KRWDZBQOSA-N 324.428 2.356 0 40 DEAB COC[C@@H]1CN(Cc2csc(C)n2)CC12CCN(C)CC2 585103814 RSLKQRQNWWOVJB-AWEZNQCLSA-N 309.479 2.242 0 40 DEAB O=C1C[C@@H](C(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc2N1 69347373 KDCCWKKSGCFPDJ-DZGCQCFKSA-N 324.384 2.173 0 40 DEAB CCCC(=O)N1CCC[C@H](C(=O)N[C@@H]2C[C@H](OCC)C2(C)C)C1 75143473 LSZKRQHIXMDWGR-ZNMIVQPWSA-N 324.465 2.345 0 40 DEAB O=S(=O)(NC[C@@H](O)C1CCCCC1)c1ccc(F)cc1 70636698 XCNJUOCQQBEXNY-CQSZACIVSA-N 301.383 2.045 0 40 DEAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N[C@H]1CCN(C)C1=O 76083868 DSOJAXHOQAQSEG-BBRMVZONSA-N 317.433 2.412 0 40 DEAB CCOC(=O)CC(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 15042907 UHWMYQZIMKZKBL-UHFFFAOYSA-N 302.367 2.239 0 40 DEAB C[C@H](C(=O)n1cnc2ccccc21)N1C(=O)c2ccccc2C1=O 5532090 KSKVEBOQWJUFNY-LLVKDONJSA-N 319.320 2.361 0 40 DEAB COc1cc2nc(Cl)nc(NCCN(C)C)c2cc1OC 11756112 MQZXJHPKPOGTIJ-UHFFFAOYSA-N 310.785 2.274 0 40 DEAB COc1ccc([C@@H]2CC(=O)c3c(C)nc(N)nc3C2)cc1OC 15424347 FKPXZCHIZCTWLB-NSHDSACASA-N 313.357 2.297 0 40 DEAB CN(C)CCNC(=S)Nc1cccc(Br)c1 16941888 GQLQBTOWWRLLCT-UHFFFAOYSA-N 302.241 2.297 0 40 DEAB O=C1N[C@@]2(CCc3ccccc31)CCN(Cc1ccncc1)C2 19375274 SCQVUZFHMVHKGY-IBGZPJMESA-N 307.397 2.402 0 40 DEAB O=C(CN1CCCSc2ccccc21)NC[C@H]1CCCO1 158640524 GLCCZYYGNGBCCD-CYBMUJFWSA-N 306.431 2.284 0 40 DEAB COC(=O)c1cc(S(=O)(=O)NCCC(C)C)ccc1Cl 156782619 PVCHQWLDQBNKGG-UHFFFAOYSA-N 319.810 2.451 0 40 DEAB Cc1cc(OC2CCN(C(=O)c3cc(C)on3)CC2)nc(C)n1 390826147 CVQURTXBXLVHML-UHFFFAOYSA-N 316.361 2.073 0 40 DEAB CCOC(=O)c1sc2nc(C)nc(NC[C@@H](C)O)c2c1C 6541494 DZIDMDZSOHOFBC-SSDOTTSWSA-N 309.391 2.278 0 40 DEAB Fc1cnc(N2CCC(Oc3ncc(Cl)cn3)CC2)nc1 1888843378 GRKLWGCSAIPMKU-UHFFFAOYSA-N 309.732 2.107 0 40 DEAB Cc1cc(CNC(=O)c2ccc(-c3nnn[nH]3)cc2)ccc1F 26054566 GPUUZRFEBPWDLT-UHFFFAOYSA-N 311.320 2.244 0 40 DEAB O=C(CSc1nnc(-c2ccncc2)o1)NCc1ccco1 4941533 ROYWSBKIFQACFO-UHFFFAOYSA-N 316.342 2.133 0 40 DEAB CCOc1ccccc1C(=O)NCc1n[nH]c(=O)c2ccccc12 5313242 ACGXJEJIPDZPKS-UHFFFAOYSA-N 323.352 2.252 0 40 DEAB Cn1cccc1[C@H](O)CNC(=O)c1ccc2ncsc2c1 206697179 GKNHXPWJJSJRJK-CYBMUJFWSA-N 301.371 2.098 0 40 DEAB Cc1nnsc1C(=O)NCc1cc(-c2ccccc2)on1 38752266 CADIYHVMJXGBPD-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccoc1 575613438 SAUJTXSWJFTRQK-GOSISDBHSA-N 315.369 2.324 0 40 DEAB Cn1cc(-c2cc(CNc3ncnc4cnccc34)ccn2)cn1 1159109644 BRCVINGBLMHJAR-UHFFFAOYSA-N 317.356 2.432 0 40 DEAB O=C(O)c1ccc(Cl)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 100076485 OOAQNSGOQMNMLB-XMUKKISLSA-N 317.728 2.350 0 40 DEAB CN(C)c1ccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)cn1 40510862 YQVMLWJXKGYMRZ-GFCCVEGCSA-N 302.205 2.348 0 40 DEAB NC(=O)[C@@H](NCc1cccc2c1OCCCO2)c1ccccc1 51187558 ZCFRDLRULHHWNQ-INIZCTEOSA-N 312.369 2.164 0 40 DEAB O=C(Nc1ccc2c(ccn2CCN2CCOCC2)c1)C1CC1 51420556 ICRCKKSSHZWFBU-UHFFFAOYSA-N 313.401 2.322 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc(F)cc2)C[C@@H](C)O1 21054822 QVXQSGKRZICQGX-CHWSQXEVSA-N 308.397 2.443 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2nncs2)C1 21215134 ZPKRYMCOUYJSAZ-VIFPVBQESA-N 312.395 2.124 0 40 DEAB CN(C)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccsc1 32816920 CVJJQOSOJNFNDH-AWEZNQCLSA-N 315.398 2.054 0 40 DEAB CC1=NN(C(=O)c2cccc(O)c2C)[C@](O)(C(F)(F)F)C1 269923 LERVAUTWJOXIIK-GFCCVEGCSA-N 302.252 2.173 0 40 DEAB COc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1 412978 KQUKPIRDKVMPNH-UHFFFAOYSA-N 318.402 2.432 0 40 DEAB COc1ccc2cc(OC)c(C(=O)N3CCOCC3)cc2c1 850418 BJDQIIWPURNLPQ-UHFFFAOYSA-N 301.342 2.329 0 40 DEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2)CC1 32994445 YLYCLWRPAXMGFR-CZUORRHYSA-N 315.417 2.385 0 40 DEAB CCC(CC)NC(=O)CSc1nnc2cc(C)nc(C)n12 32922607 WYTMSLDNTVVMFW-UHFFFAOYSA-N 307.423 2.138 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NCC(F)(F)F 78868965 ZBMZDIWAUVDDAM-IUCAKERBSA-N 310.316 2.358 0 40 DEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)Nc1nccs1 419538 NQWXJOGRZXTTTI-UHFFFAOYSA-N 320.765 2.089 0 40 DEAB Cc1cc(C)c(CNC(=O)Cc2csc(C(C)C)n2)c(=O)[nH]1 33223201 BIRODELJSALADM-UHFFFAOYSA-N 319.430 2.431 0 40 DEAB Cc1ccc(NC(=O)Cn2nnc(COc3ccccc3)n2)cc1 7071490 RZUMAKORFLTCND-UHFFFAOYSA-N 323.356 2.199 0 40 DEAB CN[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 53202054 BIOGVACBTIVNPU-JTQLQIEISA-N 315.186 2.412 0 40 DEAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 103446259 NHQXHBKADXBXEY-MGPQQGTHSA-N 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321.373 2.116 0 40 DEAB O=C(NCc1coc(-c2cccs2)n1)c1ccc(=O)[nH]c1 10877063 WIEHXAMUHJLZHI-UHFFFAOYSA-N 301.327 2.021 0 40 DEAB CCCOc1ccc(CNC(=O)N[C@H](C)c2nncn2C)cc1 45879804 UHZUTVDEFBNDNB-GFCCVEGCSA-N 317.393 2.164 0 40 DEAB CC(C)Sc1nc(C2CC2)nc2c1c(=O)[nH]c(=O)n2C1CC1 12811887 YHNDRRUVXQVSDQ-UHFFFAOYSA-N 318.402 2.193 0 40 DEAB O=C(O)COc1ccc(CC(=O)OCc2ccccc2)cc1 60119702 OUOJVWLTOYGWPQ-UHFFFAOYSA-N 300.310 2.436 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cn2ccccc2n1 69951047 KOGONACNTSRXAR-DLBZAZTESA-N 312.417 2.310 0 40 DEAB O=C(NCCCN1CCCCCC1=O)c1cc(C2CC2)on1 65424018 BNSAXASAULJRAO-UHFFFAOYSA-N 305.378 2.075 0 40 DEAB Cc1csc(NC(=O)C[C@H](NC(N)=O)c2ccccc2C)n1 65440117 GQFMEDSOOYQUHM-LBPRGKRZSA-N 318.402 2.498 0 40 DEAB Nc1nccnc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F 14059907 XHHOCSXTNPPXAR-UHFFFAOYSA-N 319.189 2.111 0 40 DEAB CN(C)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 6531927 VMAYIMBKSFXZSV-UHFFFAOYSA-N 316.430 2.384 0 40 DEAB CN1CCN(Cc2nc3cc(Br)ccc3[nH]2)CC1 71675442 DDWAVOJDCGDBAE-UHFFFAOYSA-N 309.211 2.073 0 40 DEAB COCCNC(=O)c1nccnc1-c1nc2ccccc2s1 6669774 QLKTVXAVMYYVRA-UHFFFAOYSA-N 314.370 2.130 0 40 DEAB Cn1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)n1 4734970 IPAKZOXTAQJELO-UHFFFAOYSA-N 323.146 2.222 0 40 DEAB c1ccc(-c2nnn(Cc3nnc(-c4ccccc4)o3)n2)cc1 5948134 JYAIGCBTGMDLRV-UHFFFAOYSA-N 304.313 2.438 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccncc2)C1 67802626 PNXRHIQORKGFPV-CYBMUJFWSA-N 305.378 2.211 0 40 DEAB CCN(C(=O)[C@@H](C)Sc1nc(N)cc(N)n1)c1ccccc1 7692699 LHXFQLOHMYKOFU-SNVBAGLBSA-N 317.418 2.175 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CC2)cc1 8116453 FGOUHGUAGWLDCZ-LBPRGKRZSA-N 324.446 2.304 0 40 DEAB CCOc1ccc(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)nn1 96007346 KMFXOAJDBFKUPY-CYBMUJFWSA-N 320.437 2.252 0 40 DEAB CCN1C(=O)N[C@@H](c2ccc(F)cc2F)C(C(=O)OC)=C1C 8323129 QQKSHAVGOAMGJP-ZDUSSCGKSA-N 310.300 2.498 0 40 DEAB Cc1nnc2n1CCN([C@H](C)c1nc(-c3ccccc3)no1)C2 69453574 NLAVNNFNFXVXME-LLVKDONJSA-N 310.361 2.213 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@H]2[C@H]2CCCN2C)n1 69528785 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CCCc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 36119772 OISMPAIMYAZNKP-QPSCCSFWSA-N 303.358 2.456 0 40 DEAB CCc1nnc2ccc(N3CCN(c4ccccc4)CC3)nn12 32104764 VQYLBOWXHDPADD-UHFFFAOYSA-N 308.389 2.013 0 40 DEAB Cc1nnc(NC(=O)[C@]2(C)Oc3ccccc3N=C2O)s1 36357819 OGHAYDUCBUEGGU-CYBMUJFWSA-N 304.331 2.224 0 40 DEAB CC(C)[C@H](N)C(=O)N(C[C@@H]1COc2ccccc2O1)C(C)C 79418820 JJJFXNXUCQSIRQ-CJNGLKHVSA-N 306.406 2.047 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(OC)c(Cl)c1 40477715 JKHLZEYNYIOUTG-VIFPVBQESA-N 313.785 2.385 0 40 DEAB CN(c1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 223862317 DNXLWSXVNTUPLU-UHFFFAOYSA-N 324.446 2.393 0 40 DEAB O=c1[nH]nc(S)n1-c1ccc(Br)cc1Cl 61591163 XPCMMWXVBMLSRX-UHFFFAOYSA-N 306.572 2.265 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)[C@@H]1CCc2[nH]cnc2C1 225509778 JFKXYVBMAQXBHJ-GFCCVEGCSA-N 308.385 2.355 0 40 DEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)Nc1ccccc1F 223316173 DOVWSEBPXBTWCN-UHFFFAOYSA-N 322.317 2.369 0 40 DEAB Cc1ncsc1CNC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 332149036 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COCCN1CCN(Cc2ccc(C)o2)Cc2cccnc21 96198850 NIPAAZUSQFMIAA-UHFFFAOYSA-N 301.390 2.452 0 40 DEAB O=C1CCCN1[C@H]1CN(Cc2ccc(F)cc2)[C@H]2CCCO[C@H]21 96185788 FNLSWOSZCDSVKT-XYJFISCASA-N 318.392 2.180 0 40 DEAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCOC[C@H]1CO 85469645 SINUERMUJWVVRL-OAHLLOKOSA-N 313.353 2.312 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(c1cc(C)nc(C3CC3)n1)CC2 95400788 CRPGFQPDMVWCKV-GJZGRUSLSA-N 317.433 2.419 0 40 DEAB Cn1cccc1C(=O)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@H]21 248150652 TYPPIKXLJSXIRH-DJIMGWMZSA-N 318.417 2.071 0 40 DEAB Cc1ncsc1C(=O)N1CC[C@@H](c2ccnc3nccn23)C1 257262315 LKXPCVGKYJJGJW-LLVKDONJSA-N 313.386 2.124 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccccc2F)n1 257249333 JHTCLVSDBLIYCS-LBPRGKRZSA-N 309.366 2.383 0 40 DEAB CCc1nccn1CC(=O)N1CCC(C)(c2nccs2)CC1 257344636 ZYCSMUUUIOSSDX-UHFFFAOYSA-N 318.446 2.482 0 40 DEAB NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCO2)c1 257267260 MGORKCOZFURLCH-OAHLLOKOSA-N 311.385 2.116 0 40 DEAB C[C@@H](NC(=O)N[C@H](CO)Cc1ccccc1)c1cncc(F)c1 359293597 NUDNVLWCOHPHQS-WBMJQRKESA-N 317.364 2.185 0 40 DEAB O=C(NCc1nccnc1-c1cccs1)NC1CCOCC1 575605963 DZLKFQGUPUSGEI-UHFFFAOYSA-N 318.402 2.183 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)Nc1cccnc1N1CCCC1 48171660 WZTSLFKCUAWZEB-ZDUSSCGKSA-N 314.393 2.089 0 40 DEAB CCN1C[C@H](C(=O)N2CCC[C@H]2c2cccc(F)c2)CC1=O 55864415 QIOQZUCYTFLSRQ-HIFRSBDPSA-N 304.365 2.358 0 40 DEAB COC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58358030 VFXLOAIFJBRIRP-HIFRSBDPSA-N 308.397 2.189 0 40 DEAB Cc1cc(N(C)C)nc(N2CCN(Cc3ccccc3)CC2)n1 68124670 KTDBYQRBHDCXEY-UHFFFAOYSA-N 311.433 2.173 0 40 DEAB C[C@H](CNCc1ncnn1C)c1cccc(Br)c1 97230466 SZIKSCCOPQKNSG-SNVBAGLBSA-N 309.211 2.471 0 40 DEAB O=C(O)CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 13943403 PYRWBYSQMUEQDG-UHFFFAOYSA-N 323.345 2.101 0 40 DEAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1 15952747 PCBXHGZTWYZXBH-UHFFFAOYSA-N 318.354 2.127 0 40 DEAB COc1ccc([C@H](NC(=O)N(C)[C@H](C)CO)C(F)(F)F)cc1 155142263 KVMDWIVJCPDGGE-SKDRFNHKSA-N 320.311 2.321 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NCc1ccc2c(c1)OCCO2 28415426 FACOAIGURURGQZ-GFCCVEGCSA-N 316.357 2.481 0 40 DEAB CC(=O)N1CCc2ccc(NS(=O)(=O)c3cccs3)cc21 13697018 MQKKQZHENASUBH-UHFFFAOYSA-N 322.411 2.458 0 40 DEAB Cn1cccc1[C@@H](O)CNC(=O)c1ccc2ncsc2c1 206697219 GKNHXPWJJSJRJK-ZDUSSCGKSA-N 301.371 2.098 0 40 DEAB Cc1cc2ncc(NC(=O)Nc3ccc4c(c3)OCO4)cn2n1 206740124 LPOJMVZWKGLZDT-UHFFFAOYSA-N 311.301 2.410 0 40 DEAB CSCC[C@H](NC(=O)NCCCc1ccccc1)C(=O)O 2098718 HYOMPMWOJFOEAJ-ZDUSSCGKSA-N 310.419 2.125 0 40 DEAB biogenic COc1ccc(C(=O)C2CCN([C@@H](C)C(=O)N(C)C)CC2)cc1 40040770 LFCRMAHFSRIQMN-ZDUSSCGKSA-N 318.417 2.067 0 40 DEAB CC(C)[C@@H](C)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 31715666 SRGGSMPQKYMRQG-CYBMUJFWSA-N 324.446 2.343 0 40 DEAB CC(C)c1cc(C(=O)N2CCC(C(N)=O)CC2)nn1C(C)(C)C 40549703 HKEHAIMRSHJUHT-UHFFFAOYSA-N 320.437 2.099 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)CCc2ccccc2)C1 40539209 ZOWXRVJVEBKKHX-HNNXBMFYSA-N 304.390 2.356 0 40 DEAB O=C(NCc1ccc(Cn2ccnc2)cc1)N1CCSCC1 40554027 OUOGTUAYZBIEBP-UHFFFAOYSA-N 316.430 2.190 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)c1ccccc1Oc1cccnc1 51977704 HTDAOMKORCZRIL-GFCCVEGCSA-N 313.357 2.128 0 40 DEAB Cc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CN2)cc1C 32643645 DVYZWDGNYDYNKN-UHFFFAOYSA-N 322.368 2.192 0 40 DEAB CN(C)c1cc(CNC(=O)[C@]2(C)CC2(Cl)Cl)ccn1 32830750 RKWXBMUUXKIIFJ-LBPRGKRZSA-N 302.205 2.348 0 40 DEAB C[C@@H]1C[C@H]1C(=O)NCC(=O)N(C)Cc1nc2ccccc2s1 32826627 CSMJVOGJKUNUNU-GHMZBOCLSA-N 317.414 2.027 0 40 DEAB NC(=O)COc1ccc(Br)cc1Br 142654 FYPOAWJNUWQTCA-UHFFFAOYSA-N 308.957 2.076 0 40 DEAB CO[C@]1(C)C[C@@H](NC(=O)NC2CCN(C3CC3)CC2)C1(C)C 76091562 LUFHQUSRAHOQJD-RHSMWYFYSA-N 309.454 2.116 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCC[C@@H](C)C1)C(=O)[C@H](C)O2 1362165 QPZYKTBEARCNSM-KGLIPLIRSA-N 316.401 2.367 0 40 DEAB NC(=O)[C@@H]1CCCN1C(=O)Cc1c(Cl)cccc1Cl 78380574 GFPYTUQXJVYKLI-NSHDSACASA-N 301.173 2.012 0 40 DEAB CC(C)OCCS(=O)(=O)N(C)Cc1ccc(F)cc1F 78967632 YLSKKSQZJCJASY-UHFFFAOYSA-N 307.362 2.151 0 40 DEAB COC(=O)CC1(NC(=O)CC2=CCCCC2)CCN(C)CC1 79013337 UHGLUPSWVVTOGQ-UHFFFAOYSA-N 308.422 2.021 0 40 DEAB Cc1noc([C@@H]2CCCN(CCC(=O)NC3CCCC3)C2)n1 52863701 WTJPSWZBLQKQTJ-CYBMUJFWSA-N 306.410 2.006 0 40 DEAB Cc1[nH]c2ccc(C(=O)N[C@]3(C)CCS(=O)(=O)C3)cc2c1C 22740705 VZJMKJQGLUUMQV-MRXNPFEDSA-N 320.414 2.092 0 40 DEAB Cc1c(C(=O)N2CCC(C(N)=O)CC2)oc2ccc(F)cc12 24752650 YARVADZWWFJRAQ-UHFFFAOYSA-N 304.321 2.218 0 40 DEAB COc1ccc(COC(=O)c2ccc(-n3cncn3)nc2)cc1 1385572 LQSHGBFKXBNXJV-UHFFFAOYSA-N 310.313 2.028 0 40 DEAB CC(=O)Nc1ccc(C(=O)NCc2nc3ccccc3n2C)cc1 12547178 LBKDXXKIKZQZLC-UHFFFAOYSA-N 322.368 2.462 0 40 DEAB C[C@H](NC(=O)CNc1ccc2c(c1)OCCO2)c1ccco1 25622391 REVOMGFRCLYCJV-NSHDSACASA-N 302.330 2.340 0 40 DEAB CC1(C)OC(=O)C2(Cc3ccccc3N3CCC[C@@H]32)C(=O)O1 12544115 DVAMERGNMXBEAT-CYBMUJFWSA-N 301.342 2.034 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Br)c[nH]2)CC(C)(C)O1 44479156 AGRXJGUPSJOGFD-QMMMGPOBSA-N 301.184 2.417 0 40 DEAB Cc1noc(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)n1 71835029 HJZATTNUCSXPLL-QWHCGFSZSA-N 301.346 2.481 0 40 DEAB COC(=O)c1ccoc1COc1cc(Cl)ccc1C(N)=O 58180240 FKVMMBIHGISHGG-UHFFFAOYSA-N 309.705 2.398 0 40 DEAB CCN(CC(=O)NCc1ccco1)Cc1ccc2c(c1)OCO2 44889324 XZYABVUDWXPYNL-UHFFFAOYSA-N 316.357 2.147 0 40 DEAB COC(=O)c1cn(CCC(C)C)nc1I 408717668 NKFCXNYJVFDSCA-UHFFFAOYSA-N 322.146 2.320 0 40 DEAB C[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)[C@@H]1CCCO1 44953179 NKOHPNJGPNKXAO-BBRMVZONSA-N 314.389 2.239 0 40 DEAB COc1ccc(C(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)cc1 58309394 LUUHCUWRNFRANB-IAGOWNOFSA-N 319.401 2.495 0 40 DEAB C[C@H]1CN(CC(=O)Nc2ccc(OC(F)F)cc2)C[C@H](C)O1 22228223 QQUKZPQQDBCFIC-QWRGUYRKSA-N 314.332 2.336 0 40 DEAB Nc1cc(C(=O)OCC(=O)N2CCCCCC2)ccc1Cl 3316906 VNDXKXRIWHKTTK-UHFFFAOYSA-N 310.781 2.482 0 40 DEAB CC(C)Oc1ccc(OCCn2cnc3c(N)ncnc32)cc1 2497568 HXARYJJPWCVIML-UHFFFAOYSA-N 313.361 2.275 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)NCCCn2cccn2)on1 45714256 BGNSIRUYXKSBLF-ZDUSSCGKSA-N 303.366 2.116 0 40 DEAB COc1cc(CN(CCC(N)=O)C2CC2)ccc1OC(F)F 12934755 SXFFRHUVJOCVTB-UHFFFAOYSA-N 314.332 2.136 0 40 DEAB Cc1ccccc1-c1nnn(Cc2noc(-c3ccoc3)n2)n1 71186251 GTGGCHAUNNXPOG-UHFFFAOYSA-N 308.301 2.340 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)Cn2ccnc2)on1 65409011 IPAMBIFIANFCDM-QWHCGFSZSA-N 303.366 2.115 0 40 DEAB CCN1CCC[C@H]1CNC(=O)Cc1c(C)nn(C(F)F)c1C 65531446 UQZMTTOYBLEJJI-LBPRGKRZSA-N 314.380 2.038 0 40 DEAB C[C@@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1cccs1 5578988 HHXXNVHODVJHKA-SNVBAGLBSA-N 313.382 2.486 0 40 DEAB CCOc1ccc(OCCCC(=O)NC2=NCCS2)cc1 5978600 IOQOARLOIBZNMB-UHFFFAOYSA-N 308.403 2.463 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1CC(=O)N(C2CCCC2)C1 7399473 BILCRONZFNXAQU-NSHDSACASA-N 316.357 2.145 0 40 DEAB CN(CC(=O)NC1CC1)c1ncnc2sc3c(c12)CCCC3 9313703 YKZFLLCRMUNYIQ-UHFFFAOYSA-N 316.430 2.285 0 40 DEAB CNC(=O)c1ccc(CN(C)C(=O)Cc2ccccc2F)cc1 7847245 QFVQJPYLYYEVPF-UHFFFAOYSA-N 314.360 2.386 0 40 DEAB COc1ccccc1CNC(=O)N1CCCC[C@@H]1C1OCCO1 69230280 WMYGIDGCTOQQLZ-CQSZACIVSA-N 320.389 2.132 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2Cc2nc(-c3ccccn3)no2)c1 70040080 FIVBGJBIZRWFRX-AWEZNQCLSA-N 324.388 2.301 0 40 DEAB O=C(CNC(=O)c1ccccc1F)Nc1nc2ccccc2[nH]1 8345430 WGLWWXABYHZUPL-UHFFFAOYSA-N 312.304 2.071 0 40 DEAB Cc1ccc(CNC(=O)NC[C@H]2CCCN(C(C)C)C2)cn1 71857268 KVVQZTIOXKUQKN-MRXNPFEDSA-N 304.438 2.310 0 40 DEAB Cc1ccc(NC(=O)CCC(=O)N2CCN(C)CC2)cc1Cl 19859263 BPXLMQPCIBLCHN-UHFFFAOYSA-N 323.824 2.141 0 40 DEAB COc1ccc(C(=O)N(C(C)C)C2CCC2)cc1-n1cnnn1 97081300 IYVSHYGRKYPBRX-UHFFFAOYSA-N 315.377 2.074 0 40 DEAB Cc1ccc(CC(=O)N2CCc3nnc(N(C)C)cc3C2)s1 72279529 XGFQPEKSYRAMPC-UHFFFAOYSA-N 316.430 2.040 0 40 DEAB Cc1cc(N2CCn3c(nnc3C(F)(F)F)C2)nc(C2CC2)n1 95399784 SMKJHLDQIDQAMA-UHFFFAOYSA-N 324.310 2.293 0 40 DEAB O=C(C[C@@H]1COCCN1C(=O)c1cc(Cl)c[nH]1)c1ccco1 95439930 NZQWCIBULNPAEQ-LLVKDONJSA-N 322.748 2.375 0 40 DEAB C[C@H](C(=O)NCC(F)(F)F)N1CCc2ccccc2CC1 95430698 ZYVHFVATJVPXGK-LLVKDONJSA-N 300.324 2.154 0 40 DEAB CC[S@](=O)c1ccccc1C(=O)NCCC1=CCOCC1 95436347 CLDKKKXOIXWLEQ-OAQYLSRUSA-N 307.415 2.281 0 40 DEAB O=C(CCCc1cccs1)NCCCCN1CCC[C@@H]1CO 95428339 KKUWVRZTUWKEMI-OAHLLOKOSA-N 324.490 2.424 0 40 DEAB C[C@H](CCn1cncn1)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95968046 OPDDOCKJICJAAH-ZIAGYGMSSA-N 323.441 2.046 0 40 DEAB C[C@@](O)(CNC(=O)N[C@@H]1CCCSC1)c1ccc(F)cc1 95976231 FIYHCBMPQLPVTM-UKRRQHHQSA-N 312.410 2.228 0 40 DEAB COCc1nc([C@@H]2COCCN2Cc2cccc(C)c2)no1 95999991 NZGKGAGRJZKXAC-AWEZNQCLSA-N 303.362 2.098 0 40 DEAB CCN(C(=O)NCCN1CCOC[C@H]1C)c1ccccc1C 95948544 WUDYJUINUGDSLS-OAHLLOKOSA-N 305.422 2.252 0 40 DEAB FC(F)(F)c1csc(NC[C@@H]2COC3(CCOCC3)O2)n1 95990674 XETLAJIOWLNACH-MRVPVSSYSA-N 324.324 2.496 0 40 DEAB CCn1cc(C(=O)N2CCC(Oc3cccc(C)n3)CC2)cn1 95993491 VZOOHITUEALQQY-UHFFFAOYSA-N 314.389 2.290 0 40 DEAB c1cc(CNC[C@@H]2CCN(C3CC3)C2)c2c(c1)OCCCO2 89774309 RVJWLMVJQVMWEE-AWEZNQCLSA-N 302.418 2.422 0 40 DEAB CC(C)CNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61342007 YUKYXBGINLXYRA-UHFFFAOYSA-N 304.799 2.097 0 40 DEAB COc1ccc(OC)c(NC(=O)N(C)Cc2ccnn2C)c1 32611438 AUHQJPAJXFAZNQ-UHFFFAOYSA-N 304.350 2.101 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 409129356 GFXYANUIDLMMDD-DHZHZOJOSA-N 307.327 2.068 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)C(C)(C)Oc1cccc(Cl)c1 79034319 IQAXCWKGSWOIOJ-LLVKDONJSA-N 322.796 2.294 0 40 DEAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cnccn1 77647560 ZZCFBRMKICJHGW-NSHDSACASA-N 312.156 2.247 0 40 DEAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 77301657 MIYXKNNLVCTGBK-CQSZACIVSA-N 323.400 2.315 0 40 DEAB Cc1cc(C(=O)Nc2nc3ccccc3n2C)c2cnn(C)c2n1 36616478 NNJAWWSEKXBYCS-UHFFFAOYSA-N 320.356 2.416 0 40 DEAB O=C(Cc1ccn(-c2ccccc2)n1)N1CCCc2n[nH]cc21 562942324 GGFOQQFECYTTQB-UHFFFAOYSA-N 307.357 2.117 0 40 DEAB CCOC(=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@H](c2ccco2)N1 40566640 MQXVIECQDKYSBE-GMXVVIOVSA-N 309.362 2.204 0 40 DEAB COc1ccccc1OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 41194899 NDWSNAWOOLOXHS-KBPBESRZSA-N 305.374 2.244 0 40 DEAB O=C(C[S@](=O)C[C@@H]1CCCO1)N[C@H](c1ccccc1)C1CC1 194644911 AYTMXLOORCSJKS-LBUQITIBSA-N 321.442 2.182 0 40 DEAB COc1ccc([C@@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)cc1OC 85877343 SPEQKETVBYHXBU-NSHDSACASA-N 315.325 2.142 0 40 DEAB biogenic COC(=O)C[C@H](NC(=O)[C@H]1C[C@H]1C)c1ccc(OC)c(OC)c1 44889112 ANIRVZCXDGTGRS-WXHSDQCUSA-N 321.373 2.080 0 40 DEAB C[C@H](Cc1cccc(F)c1)NS(=O)(=O)CC1CCOCC1 225421176 LBZQOYGSHSRBHH-GFCCVEGCSA-N 315.410 2.103 0 40 DEAB CCOC(=O)c1cc(C)nn(Cc2ccc(Cl)cc2)c1=O 225962075 CBGFYCCMAVVKMJ-UHFFFAOYSA-N 306.749 2.430 0 40 DEAB Cc1cc(NC(=O)N[C@H]2CCc3ncnn3C2)c2ncccc2c1 133361761 ROMHKROVNPNOQD-ZDUSSCGKSA-N 322.372 2.271 0 40 DEAB COc1ccc(-c2noc(-c3c(SC)n[nH]c3N)n2)cc1 46913962 RSOINLITXUSYDR-UHFFFAOYSA-N 303.347 2.439 0 40 DEAB C[C@@](Br)([C@@H](O)c1ccc(F)cc1)S(C)(=O)=O 96521259 XAZVTLOFIBTYMU-UWVGGRQHSA-N 311.172 2.015 0 40 DEAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 96402669 BJFGHFBXASYXAZ-BMFZPTHFSA-N 322.449 2.099 0 40 DEAB CCOc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1OC 95534319 PELJXFGIZAYRCL-OAHLLOKOSA-N 304.394 2.459 0 40 DEAB O=C(NCCc1ccccc1)Nc1cnn([C@H]2CCOC2)c1 96123217 JOZHQCSVBNZJFX-HNNXBMFYSA-N 300.362 2.209 0 40 DEAB CCC1(CC)[C@@H](OC)[C@H](C)[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1 92769632 DHLWLMDFOXSILW-XOUADPBQSA-N 319.449 2.401 0 40 DEAB Cc1cc(N(CCO)Cc2cccnc2)nc(-c2ccccn2)n1 96427250 DRFIXNOFHXUXHL-UHFFFAOYSA-N 321.384 2.241 0 40 DEAB COCCN1CCc2c(cnc(-c3ccccc3)c2C(=O)O)C1 96189263 IXJDRVBVKQLSSS-UHFFFAOYSA-N 312.369 2.451 0 40 DEAB CCNc1ncc(C(=O)N2CC[C@H](Oc3ccccn3)C2)s1 96483014 UERUIGUMDQEYBG-NSHDSACASA-N 318.402 2.263 0 40 DEAB C[C@@H]1[C@@H](NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCC[C@H]1C 240551671 GVHHFPVSXWTCPN-SEBNEYGDSA-N 320.433 2.103 0 40 DEAB COc1ccc2c(c1)O[C@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)O)NC2=O 247919538 CCWUXQHRZFPQNH-HHBKUABFSA-N 317.341 2.035 0 40 DEAB Cn1cccc1C(=O)NCc1cnc([C@]2(C)CCCCO2)nc1 257259285 KXQUXXHBZHYNNG-KRWDZBQOSA-N 314.389 2.161 0 40 DEAB COc1cccc(CN2CCO[C@@H](c3cnccn3)C2)c1F 257296025 RAWTXEBLFNGZIU-OAHLLOKOSA-N 303.337 2.198 0 40 DEAB C[C@@]1(O)CCN(C(=O)c2ccncc2)C[C@H]1Oc1ccccc1 257325952 WVECIZDLIIOTKH-SJLPKXTDSA-N 312.369 2.126 0 40 DEAB O=C(N[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1Cl 257220832 DMJACLLLZIMAEG-RBSFLKMASA-N 308.809 2.058 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 257226792 FMFLHXYPZHYSEN-GFCCVEGCSA-N 323.393 2.426 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)c3ccc4[nH]nnc4c3)CC[C@@]2(C)C1 257216703 CVTKAUPQNHMAEC-VMGRFDJRSA-N 314.389 2.378 0 40 DEAB Cc1cnc(NC(=O)CN2CCC[C@@H]3[C@H]2CCCCN3C)s1 257246755 IVRQWVQJSFQZHR-ZIAGYGMSSA-N 322.478 2.339 0 40 DEAB CCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 51443382 OORUEJWARXUEFB-HNNXBMFYSA-N 317.433 2.131 0 40 DEAB CCSc1nc2[nH]c(-c3ccccc3OC)cc(=O)n2n1 14164079 HWLWOIHRBSYDAB-UHFFFAOYSA-N 302.359 2.205 0 40 DEAB O=C(O)c1ccccc1C(=O)Nc1cccc(C(=O)O)c1O 16449358 HEHCTXKLVIEEGL-UHFFFAOYSA-N 301.254 2.041 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 18149438 WJLMGTGPWFANIN-WDEREUQCSA-N 312.797 2.138 0 40 DEAB CCN(CC)C(=O)N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1 19526249 PVHRYCSPHXSPFW-CYBMUJFWSA-N 314.393 2.465 0 40 DEAB OC[C@]12CCCC[C@@H]1CN(c1ncc(Br)cn1)C2 1888844087 IDHRVBJGTQUHQE-ZWNOBZJWSA-N 312.211 2.228 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(c3ncccc3F)C2)nc1 1888856704 BUJZUWRZPQFLIJ-CYBMUJFWSA-N 301.369 2.424 0 40 DEAB COc1cc(F)ccc1NC(=O)c1ccc(-n2cnnn2)cc1 25308896 BILMWNUNNGZGFF-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB FC(F)(F)c1cc(N2CCN(c3ccccn3)CC2)ncn1 1148893850 KACPPZIVKUMBNS-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB CCCCNC(=O)CCCCCn1nnc2ccccc2c1=O 2932871 DRUGPSYGZFSVCW-UHFFFAOYSA-N 316.405 2.268 0 40 DEAB O=C(Cc1ccc(Cl)s1)Nc1ccc2c(c1)C(=O)NC2=O 10061022 GUIBSYISULDMIO-UHFFFAOYSA-N 320.757 2.466 0 40 DEAB C[C@H](NC(=O)c1n[nH]nc1-c1ccc(F)cc1)c1ccncc1 206652389 MLZMJSUKZHJFHT-JTQLQIEISA-N 311.320 2.497 0 40 DEAB CCOc1ncccc1C(=O)NC[C@@H](O)c1ccc(F)c(F)c1 31299877 CVHKAVSNXYPNCF-CQSZACIVSA-N 322.311 2.222 0 40 DEAB O=C1NCCN1c1ccc(C(=O)N2CCOc3ccccc32)cc1 40516243 QRDSXXOMOYRMOE-UHFFFAOYSA-N 323.352 2.255 0 40 DEAB C[C@@H](CNS(=O)(=O)c1ccccc1F)N1CCCC[C@H]1C 32441028 JPSUMHDGJXYAHH-OLZOCXBDSA-N 314.426 2.367 0 40 DEAB Cc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)c(Cl)c1 32738574 IVOOUMLTXHRNFP-UHFFFAOYSA-N 323.780 2.261 0 40 DEAB CC(C)C(=O)NCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 32759820 WRRIEDXIGVMLFJ-UHFFFAOYSA-N 307.781 2.323 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NCc1ccccc1Cl 102232263 CJKQKRPASNUABV-ZNIXKSQXSA-N 305.761 2.479 0 40 DEAB CCc1nc(CCNC(=O)c2cccnc2N(C)C)sc1C 60360348 UBOIWYHICSIOLL-UHFFFAOYSA-N 318.446 2.447 0 40 DEAB CCOC(=O)[C@H]1C(=O)N[C@@H]2c3ccccc3O[C@H]3CCCC[C@@]321 485636 SEVNYVDCZGGKSS-BORJPKMPSA-N 315.369 2.358 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 2649097 BWLLMIWFDZZVKE-BXUZGUMPSA-N 310.419 2.312 0 40 DEAB C[C@H](c1ccc(Cl)cc1)N1CCN([C@H]2CCN(C)C2=O)CC1 75863193 GOZXOHDACFDNIS-CJNGLKHVSA-N 321.852 2.249 0 40 DEAB CN1C[C@H](C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)CC1=O 77651560 CSFKQMCFYLVWRC-QAPCUYQASA-N 323.396 2.108 0 40 DEAB OCCOc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2 1582418 BOVXXJSFJHCBHR-UHFFFAOYSA-N 316.309 2.106 0 40 DEAB CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O 539688 SARHCKTXYRQWMR-HNNXBMFYSA-N 319.405 2.018 0 40 DEAB COc1cccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c1O 7603796 AKUYFUVOOOXGCL-POHAHGRESA-N 308.315 2.310 0 40 DEAB CCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)NC1=S 103382084 OAMXPKCAGKPJIJ-DHZHZOJOSA-N 306.387 2.259 0 40 DEAB CC(C)(C)c1ccc(CCC(=O)N2CCN(C=O)CC2)cc1 10332372 NZJWHGAIUDUSSW-UHFFFAOYSA-N 302.418 2.217 0 40 DEAB CCOC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2C)CC1 57405653 CVFYHRBMBXJVEP-CQSZACIVSA-N 319.405 2.096 0 40 DEAB COCCn1cc(C(=O)NC[C@@H](C)c2ccccc2)ccc1=O 47245228 IBTZPCWYWMNIRW-CQSZACIVSA-N 314.385 2.028 0 40 DEAB O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccccc1 57363940 IXKBNMZSPYLPLY-UHFFFAOYSA-N 311.385 2.153 0 40 DEAB CCN1/C(=C/C=C2/C(=O)N(C)C(=S)N2C)Oc2ccccc21 12412109 WNJNWGNAPMBUPT-DCKTUCEMSA-N 315.398 2.319 0 40 DEAB O=C(NCCNC(=O)c1cccc(F)c1)c1cccc(F)c1 3066243 MAJIGAIUGLTIBO-UHFFFAOYSA-N 304.296 2.125 0 40 DEAB Cc1oc(-c2ccco2)nc1CN1C[C@@H](C(N)=O)CC[C@H]1C 106655591 TZEANPOXUYTFCV-PWSUYJOCSA-N 303.362 2.329 0 40 DEAB CN(CC(=O)N1CCCCCC1)Cc1ccc2c(c1)OCCO2 42366826 ILNFIWLHYUMGGL-UHFFFAOYSA-N 318.417 2.292 0 40 DEAB C[C@H](O)C[C@@H]1COCCN1C(=O)NC[C@H](C)c1cccs1 108502345 JIIGJRUKWHQQSU-RWMBFGLXSA-N 312.435 2.033 0 40 DEAB CC(C)[C@H](NC(=O)c1ccncc1)C(=O)NCc1cccs1 58161456 YFJOLZWDKJFBHU-AWEZNQCLSA-N 317.414 2.214 0 40 DEAB Cc1csc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 27776617 OAIJFTAMGWWPKH-UHFFFAOYSA-N 310.810 2.395 0 40 DEAB O=C(CSc1nnc2ccccn12)NCc1cccs1 3257911 JCTQNMUYYDNAMC-UHFFFAOYSA-N 304.400 2.199 0 40 DEAB O=C(CSC(F)(F)F)NCc1ccc2c(c1)OCCO2 48071855 CMUUMZIQJCGGOE-UHFFFAOYSA-N 307.293 2.327 0 40 DEAB CCc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2)s1 36101820 JCNMETINYATGJC-UHFFFAOYSA-N 324.427 2.228 0 40 DEAB CCCC(=O)N[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 58313964 QLFZEOVMNKGNIH-CABCVRRESA-N 318.417 2.361 0 40 DEAB CN(C(=O)c1cc(F)ccc1Br)C1CCNCC1 36282904 LAOGWQQEWPUDHY-UHFFFAOYSA-N 315.186 2.412 0 40 DEAB NC(=O)c1ccc(NC(=O)CNCc2ccccc2Cl)cc1 58445893 HRWZXJJYEKWYGK-UHFFFAOYSA-N 317.776 2.167 0 40 DEAB Cc1cnc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)s1 48231073 BQRLOGCKVYSKRG-LLVKDONJSA-N 322.365 2.329 0 40 DEAB Cn1ccc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)n1 48234537 LZXSENBLYLUEBY-UHFFFAOYSA-N 302.359 2.107 0 40 DEAB COc1cccc(-c2noc(CN3C[C@H](C)OC[C@@H]3C)n2)c1 28984365 BOWBILLFMAUVDB-RYUDHWBXSA-N 303.362 2.354 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2cc3c([nH]c2=O)CCCC3=O)o1 29502137 ODPRJPOOXPQSBX-JTQLQIEISA-N 314.341 2.286 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CCC(C(N)=O)CC1 29567948 PDBVQQRVNJKVRV-BMFZPTHFSA-N 324.465 2.188 0 40 DEAB COc1ccc(C(C)=O)cc1CSc1nc(N)cc(N)n1 3341162 XHBHLRKICMPUPZ-UHFFFAOYSA-N 304.375 2.145 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 37991451 XMJMODISZLBYEW-NSHDSACASA-N 311.769 2.086 0 40 DEAB COc1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)ccc1NC(C)=O 48387040 ACXYEDFDPROFRW-QWRGUYRKSA-N 321.377 2.295 0 40 DEAB Nn1cc(-c2ccccc2)nc1SCCCN1CCOC1=O 63560193 FQZNWUYLUDLQHO-UHFFFAOYSA-N 318.402 2.198 0 40 DEAB Cc1csc(N2CCN(C(=O)CCc3ccccn3)CC2)n1 71841944 LJWUFRKELURDBZ-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB CN(CCNC(=O)NCc1ccc(O)cc1)C(=O)OC(C)(C)C 71857217 IOBUQTUEOMYZJI-UHFFFAOYSA-N 323.393 2.058 0 40 DEAB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1CC1 6271108 DVETUDNDWIHILO-UHFFFAOYSA-N 308.403 2.210 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H](C(C)C)N2CCOCC2)cc1 13964421 RVKSCTWOCGLICD-KRWDZBQOSA-N 319.449 2.151 0 40 DEAB COc1ccc(CCNC(=O)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 65590284 MVIUIDIQGIHDCV-BETUJISGSA-N 322.405 2.065 0 40 DEAB CCC[C@@H](C)NC(=O)COC(=O)Cc1ccc(OC)c(OC)c1 6424305 YXGDNOALDKZYLU-GFCCVEGCSA-N 323.389 2.094 0 40 DEAB C[C@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H](C)O1 14139728 AKUHCPXOUMBXEF-UHIISALHSA-N 320.414 2.125 0 40 DEAB O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccccc1 14230498 HEFRTGGLPDLUHB-UHFFFAOYSA-N 313.382 2.351 0 40 DEAB C[C@@H](O)CNc1nc2sc3c(c2c2ncnn12)CCCC3 5562328 YICAOYZNOUFAQJ-MRVPVSSYSA-N 303.391 2.011 0 40 DEAB CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(C=O)cc1 5505966 AGPOJKCCRFLKAD-HNNXBMFYSA-N 303.358 2.447 0 40 DEAB CNC(=O)[C@H]1CCCN(Cc2cccc3c2OC(C)(C)C3)C1 93360754 ZYBWBUFHEXPYKL-HNNXBMFYSA-N 302.418 2.358 0 40 DEAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccco1 21897268 WUNJMNJCXSTDRR-LBPRGKRZSA-N 302.330 2.211 0 40 DEAB CCOC(=O)[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 5952883 SMCDAJVQRNYHRN-JTQLQIEISA-N 305.252 2.407 0 40 DEAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1C[C@@H]1CCCCO1 9387903 DPHMGIYLKMLTIG-KBXCAEBGSA-N 314.385 2.339 0 40 DEAB O=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccccn1 7736751 AJSSXOSFZBCOSZ-UHFFFAOYSA-N 319.364 2.281 0 40 DEAB CN(C)C(=O)CN(C)c1ncnc2sc3c(c12)CCCC3 7981572 ASMZNJNPEUSECE-UHFFFAOYSA-N 304.419 2.095 0 40 DEAB Cc1ccc(C)n1-c1sccc1C(=O)N[C@@H]1CCCNC1=O 69334274 WNNFVVYEFAUEPX-CYBMUJFWSA-N 317.414 2.164 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C 69536515 DFCQSUGNJLRBPV-SJORKVTESA-N 318.465 2.055 0 40 DEAB COc1ccc(CNC(=O)c2cnn[nH]2)cc1OC1CCCC1 69564300 RHWJAJUTLCLRSE-UHFFFAOYSA-N 316.361 2.065 0 40 DEAB Cc1csc(N2CCN(Cc3nc4ncccc4[nH]3)CC2)n1 71797099 FNCAXXJTYKZGLU-UHFFFAOYSA-N 314.418 2.045 0 40 DEAB CC(C)n1ccc(=O)nc1SCC(=O)N1CCC[C@H](C)C1 69700864 KRPZZHMXTFAPQY-LBPRGKRZSA-N 309.435 2.175 0 40 DEAB C[C@H]1SCCN(C(=O)c2ccc(N3CCCC3)nn2)[C@@H]1C 97002210 NEKFOXGQNJNVKA-VXGBXAGGSA-N 306.435 2.043 0 40 DEAB CC[C@H](NC(=O)c1cncc(-c2cnn(C)c2)c1)[C@@H]1CCOC1 72297009 IPDHBZKYOAZJAH-WBMJQRKESA-N 314.389 2.027 0 40 DEAB CCNC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1 27410526 FPTXEIMNIDHEAL-UHFFFAOYSA-N 314.389 2.085 0 40 DEAB O=C(NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21)C1(O)CCSCC1 95979536 PLMFBNIAVVOSMC-BZUAXINKSA-N 317.454 2.337 0 40 DEAB COc1cccc(-n2nnc(C(=O)Nc3nccs3)c2C)c1 9970551 DTIVGUIXXOFBOC-UHFFFAOYSA-N 315.358 2.293 0 40 DEAB Cc1nn(C)c(C)c1CCNC(=O)N1CC[C@@H](OCC(C)C)C1 89505813 DPJRNBMGUDUTRK-OAHLLOKOSA-N 322.453 2.036 0 40 DEAB Cc1occc1C(=O)Nc1cc(C(N)=O)ccc1CN(C)C 75144316 JAHIPERKSBSBNC-UHFFFAOYSA-N 301.346 2.001 0 40 DEAB COCCN1CCC(CNC(=O)c2ccc(C)c(OC)c2)CC1 89647043 BRDNJVPJHCLALE-UHFFFAOYSA-N 320.433 2.092 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1cccnc1Oc1cccnc1 89938702 CPNHHEKZTAKFJN-CYBMUJFWSA-N 312.373 2.045 0 40 DEAB c1ccc(Cn2nnc3c(NCc4ccco4)ncnc32)cc1 35315914 LHTGMAQTZQDDLT-UHFFFAOYSA-N 306.329 2.475 0 40 DEAB O=C(Oc1ccccc1P(=O)(O)O)c1ccccc1Cl 4187101 SVMZTUNIGDRJSC-UHFFFAOYSA-N 312.645 2.362 0 40 DEAB biogenic CCCC(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 306132933 LWSYLADINNSNJI-CQSZACIVSA-N 304.390 2.268 0 40 DEAB COCc1ccccc1C(=O)NCC[S@@](=O)c1ccccc1 78777202 PDUAAOKECREMSW-QFIPXVFZSA-N 317.410 2.371 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 72386110 KHHBMORVRIGABX-GFCCVEGCSA-N 303.337 2.334 0 40 DEAB CNC(=O)c1cccc(C(=O)OCc2cccnc2Cl)c1 76911971 JXDWWGSGYMYILJ-UHFFFAOYSA-N 304.733 2.452 0 40 DEAB Cc1csc(Nc2cccc([C@@H]3CCCN3CC(N)=O)n2)n1 72383066 SGQPGBVWPBNVHW-LBPRGKRZSA-N 317.418 2.212 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H]3CO)cc2)n1 133159430 VXTZAVVLPWKTJQ-KRWDZBQOSA-N 313.401 2.145 0 40 DEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F 225786894 YYBMAEYGXSQPIO-NOOOWODRSA-N 311.696 2.072 0 40 DEAB O=C(NCC[C@H](O)c1ccco1)c1ccc2nsnc2c1 77110974 HKDLHUCPZIHYAE-LBPRGKRZSA-N 303.343 2.138 0 40 DEAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C)CC1 222748622 PMLGBHWEHGKPQM-AWEZNQCLSA-N 302.418 2.107 0 40 DEAB CCOC(=O)c1ccc(N2CCOCC2=O)c(C(F)(F)F)c1 228959494 OZMLQHZIAMZOCU-UHFFFAOYSA-N 317.263 2.245 0 40 DEAB C[C@H](CNC(=O)NCc1nccn1C)Oc1cccc(Cl)c1 96440545 BWMSNXDRKNLVAU-LLVKDONJSA-N 322.796 2.340 0 40 DEAB Cc1ccc(N2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)nn1 96070472 JDOJFUBKJBZPCR-RWMBFGLXSA-N 313.361 2.012 0 40 DEAB Cc1ccc(F)c(NC(=O)NC(C)(C)CCS(C)(=O)=O)c1 96475994 MCTPXXRGSVIUMK-UHFFFAOYSA-N 316.398 2.469 0 40 DEAB CC(=O)N1CCC[C@@]2(CN(Cc3ccc(C)s3)CCO2)C1 96049105 MVQXIOZBPGOXFZ-MRXNPFEDSA-N 308.447 2.270 0 40 DEAB Cc1ccc([C@@H](CNC(=O)NC2CCCC2)OCCO)cc1 96338354 IROSUUFFRBRAIK-MRXNPFEDSA-N 306.406 2.287 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1 95432061 YMUQIDDIBUAHAP-OAHLLOKOSA-N 308.378 2.112 0 40 DEAB CN(Cc1ccccn1)[C@H]1CCC[C@@H]2CN([C@@H]3CCOC3)C[C@@H]21 96183067 WMXBXBUVRYSJLP-YSHGAJCASA-N 315.461 2.403 0 40 DEAB CCS[C@H]1CC[C@]1(O)CNC(=O)c1cc(F)c(F)c(F)c1 96450772 OFHPMEKYJLLXPN-FZMZJTMJSA-N 319.348 2.480 0 40 DEAB COc1ccccc1CN1Cc2cncn2[C@@H](CN(C)C)C1 248079718 CLPOVVYCRZUZIE-INIZCTEOSA-N 300.406 2.010 0 40 DEAB C[C@@H](C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C)S(C)(=O)=O 248133910 ZOOARBUOVURPRG-CXTNEJHOSA-N 309.431 2.213 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)N3CCC(OC)CC3)cc2c1 43688255 UBMVPHNHRYPNMS-UHFFFAOYSA-N 318.373 2.436 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 257208919 BOBQFYCRRWURNV-CYBMUJFWSA-N 305.403 2.286 0 40 DEAB c1cc(NC2CC3(CCN(Cc4cscn4)C3)C2)ncn1 257281602 OQBZDIUWWRDVQT-UHFFFAOYSA-N 301.419 2.400 0 40 DEAB Cn1cc(-c2cncc(CNC(=O)Cc3cccs3)c2)cn1 575414875 YZIOGWVCGPUUEC-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB Cc1ccc(N2CCC[C@@H](NCc3nc(C)c(C)o3)C2)nn1 69919684 BACFTRJUKCSYLW-CQSZACIVSA-N 301.394 2.148 0 40 DEAB Cc1ccc(S(=O)(=O)Oc2cccc(-n3cncn3)c2)s1 71914950 IDHLHUFRTRNXAG-UHFFFAOYSA-N 321.383 2.405 0 40 DEAB Cc1cc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)on1 72301834 HQCGSIGVYJEYQL-OAHLLOKOSA-N 306.387 2.480 0 40 DEAB CCNC(=O)N1CCC(NCc2ccc(C)cc2N(C)C)CC1 95986462 KYNIBHQEIKIBKW-UHFFFAOYSA-N 318.465 2.345 0 40 DEAB C[C@H](C1CC1)N(C)C(=O)c1cccc(N2CCCS2(=O)=O)c1 95947810 HHELKUJXSLYZIU-GFCCVEGCSA-N 322.430 2.097 0 40 DEAB CCSc1nnc([C@H]2CCCN2C(=O)N2CCCC2)n1C 5001600 OFHLZVQRZDABMO-LLVKDONJSA-N 309.439 2.280 0 40 DEAB CC(C)c1nnc(Cn2ccnc2[C@@H](O)c2ccccc2)n1C 154807046 MJOJQECGYXOAQN-HNNXBMFYSA-N 311.389 2.265 0 40 DEAB Cc1cc2nccc(C3CCN(Cc4cnn(C)c4)CC3)n2n1 643914446 RIBTVEPFSRGZIT-UHFFFAOYSA-N 310.405 2.151 0 40 DEAB O=C(c1ccnc(OCC2CC2)c1)N1CCCC[C@@H]1CCO 253394356 AZQRKVHUTJGXSB-OAHLLOKOSA-N 304.390 2.248 0 40 DEAB CCOC(=O)CCCNS(=O)(=O)c1ccc(Cl)cc1C 32413835 WRJFRVSMJBDZMQ-UHFFFAOYSA-N 319.810 2.270 0 40 DEAB CC(C)N1CCCC[C@]2(CN(Cc3ccncc3)CCO2)C1=O 2037980798 IZLYLUCCEOKWEH-SFHVURJKSA-N 317.433 2.074 0 40 DEAB COCc1ccc(C(=O)N2CC3(CCN(C(C)C)C3)C2)cc1 1073418332 ZMDXMVMYTQOMHX-UHFFFAOYSA-N 302.418 2.389 0 40 DEAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3ccsc3)C2)C1 1565547447 JARKJWPLOROYON-UHFFFAOYSA-N 307.419 2.014 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1cc(Cl)ccn1)C31CC1 12360650 AJAREDDGADPXDS-NIFPGPBJSA-N 300.745 2.437 0 40 DEAB O[C@H](CNc1ncnc2ncccc12)c1ccc2c(c1)CCO2 1775971759 UMGLSXMNNSHLCC-CQSZACIVSA-N 308.341 2.105 0 40 DEAB CC(=O)c1ccc(N2CCN(Cc3nc(C)no3)CC2)c(F)c1 40039727 DCDZJCHOOCSMGT-UHFFFAOYSA-N 318.352 2.042 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N(CCO)c1ccccc1 31647840 OPMMKTMGOWEPQX-UHFFFAOYSA-N 309.362 2.322 0 40 DEAB CC(C)(C)c1nc(Cn2nnc(-c3cccc(F)c3)n2)no1 31737220 PTZIYVJMRTYRKD-UHFFFAOYSA-N 302.313 2.208 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1cc(C)no1)C[C@H]2O 40540297 QCGYLVIMCAGLOL-CYBMUJFWSA-N 304.346 2.049 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40513580 VKXHAIFZQLPIKI-LLVKDONJSA-N 320.780 2.256 0 40 DEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)NCCCCOC 46734985 TYUXLDCRTUXBFA-AWEZNQCLSA-N 322.405 2.285 0 40 DEAB O=C(CN1CCC(Cc2ccccc2)CC1)NC1CCOCC1 76291991 BQRRDZJRNLYYSZ-UHFFFAOYSA-N 316.445 2.236 0 40 DEAB O=C(OCc1ccccc1F)c1cn(Cc2cccnc2)nn1 76849066 HDYDCVSBUJXMRZ-UHFFFAOYSA-N 312.304 2.218 0 40 DEAB CC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 77832327 MTAOVNIWCCKZLF-ZDUSSCGKSA-N 319.188 2.209 0 40 DEAB CO[C@H](CNC(=O)c1ccc(C)[nH]c1=O)c1cccc(Cl)c1 78934518 XVFQWVWYJXLANZ-CQSZACIVSA-N 320.776 2.454 0 40 DEAB O=C(NCCCO)Nc1cnn(Cc2ccc(Cl)cc2)c1 78973275 VVEKQSGMYYRHKV-UHFFFAOYSA-N 308.769 2.089 0 40 DEAB C[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccccn1 79292158 FMVODFLWLDIJPF-STQMWFEESA-N 322.372 2.174 0 40 DEAB Cc1nn(C)cc1[C@H]1SCC(O)=Nc2c1c(=O)[nH]n2C(C)C 79493043 RZJQTSXUXXARNJ-GFCCVEGCSA-N 321.406 2.223 0 40 DEAB COc1ccc(NC(=O)CNCc2cccs2)c(OC)c1 4895404 SIWBNLMEWQTAPI-UHFFFAOYSA-N 306.387 2.494 0 40 DEAB O=C1O[C@H](C(=O)Nc2nc3ccccc3[nH]2)Cc2ccccc21 6649118 VBWPFDGFWNDVLC-AWEZNQCLSA-N 307.309 2.283 0 40 DEAB CC(=O)NCCCCCC(=O)NCCOc1c(C)cccc1C 47024089 VLWVLSPULBZSRR-UHFFFAOYSA-N 320.433 2.495 0 40 DEAB Cc1nc(CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)cs1 42118134 GWNAUSSVHVHMBG-CYBMUJFWSA-N 321.402 2.115 0 40 DEAB O=C1CCCCCN1CCNCc1c(Cl)nc2ccccn12 54465557 FWQNLBDTVQMZAW-UHFFFAOYSA-N 320.824 2.480 0 40 DEAB COc1ccc(C(=O)[C@@H]2C(=N)C(=O)N[C@H]2c2ccccc2)cc1 106061282 KGFYAQRUYRJYJV-ZBFHGGJFSA-N 308.337 2.385 0 40 DEAB CSCC(=O)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 47895641 KMDRXRRMYGNMSZ-LLVKDONJSA-N 301.433 2.010 0 40 DEAB COc1ccc(NC(=O)c2nc(C)ncc2Br)cn1 97102741 SRVBPWAQZGYRNR-UHFFFAOYSA-N 323.150 2.203 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1[C@@H]2CCC[C@@H]1COC2 101328562 RBRNFLKHGRGYTA-VTGPQGOBSA-N 301.342 2.208 0 40 DEAB NC(=O)C1CCN(Cc2ccc(Br)s2)CC1 43677579 CNWBBADSJPZJHV-UHFFFAOYSA-N 303.225 2.208 0 40 DEAB O=C(COC(=O)c1ccnc(Cl)c1)NCc1ccc(F)cc1 25859436 FMFCTMLCVDHPNK-UHFFFAOYSA-N 322.723 2.347 0 40 DEAB COc1ccc(NS(=O)(=O)c2ccc(N)c(OC)c2)cc1 3210868 GGGQWLLGOSBTNK-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB NC(=O)[C@@H](NC(=O)c1cc2c(F)cccc2[nH]1)c1ccccc1 44011755 FPHVZTVQXVVGHJ-HNNXBMFYSA-N 311.316 2.263 0 40 DEAB Cc1ccc(CN2CCO[C@@H]3[C@H](COCCN(C)C)CC[C@H]32)o1 107747107 AUVLPZCVMAQXIR-CGTJXYLNSA-N 322.449 2.146 0 40 DEAB O=C(NCCCCN1CCOCC1)C1(c2ccc(F)cc2)CC1 48286256 ZSRFHSUPYNQBNU-UHFFFAOYSA-N 320.408 2.086 0 40 DEAB CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](CC)C2CCOCC2)C1 72307189 MUAPJPYMCILYOW-HZPDHXFCSA-N 324.465 2.347 0 40 DEAB Cc1cc(C)n(-c2ccc(CCNC(=O)c3cc[nH]n3)cc2)n1 44531170 YLPWGPJRDKUWCW-UHFFFAOYSA-N 309.373 2.185 0 40 DEAB O=C(NCCCOCC1CCOCC1)N[C@H]1C[C@H]2CC[C@H]1C2 102735845 HDESHDWXUHWBLA-JYJNAYRXSA-N 310.438 2.308 0 40 DEAB CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 20897892 QBJAOPZRIHNRAT-UHFFFAOYSA-N 324.446 2.309 0 40 DEAB COc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1OC 58189523 ZRKDDGRTEOZOEG-UHFFFAOYSA-N 312.325 2.303 0 40 DEAB CCc1nccn1CCCNC(=O)c1ccc(OC)c(OC)c1 10313968 BXMDPQSZGFZOTL-UHFFFAOYSA-N 317.389 2.283 0 40 DEAB O=C(CC1(Cn2cnnn2)CCCCC1)Nc1ccncc1 44921849 LFTCVUYEMJTNKT-UHFFFAOYSA-N 300.366 2.047 0 40 DEAB Cc1nc2ccccc2n1CCCNC[C@@H]1CNc2ccnn2C1 58315968 VGOLAJUHIJCOMU-OAHLLOKOSA-N 324.432 2.263 0 40 DEAB CC(C)(C)[C@@H](NCCCC(=O)NC(N)=O)c1ccc(F)cc1 58304803 PHPPKVKBTXQGMV-AWEZNQCLSA-N 309.385 2.478 0 40 DEAB CC1(C)NC(=O)N(CCSc2ccc(F)c(F)c2)C1=O 28014628 GPYQXYOWWNTMSH-UHFFFAOYSA-N 300.330 2.387 0 40 DEAB Cc1cc(C(=O)NC[C@H]2CN(CC(C)C)CCO2)sc1C 28012673 GKTCNFRWEXHZBL-AWEZNQCLSA-N 310.463 2.452 0 40 DEAB Cc1cc(C)n(-c2ccc(S[C@H]3CCCCNC3=O)nn2)n1 11248633 QWXZILRKYRIKPM-LBPRGKRZSA-N 317.418 2.040 0 40 DEAB COc1ccc([C@H](NC(=O)CCSC)c2nccn2C)cc1 29133773 JZJKTSUBWRBJAY-HNNXBMFYSA-N 319.430 2.387 0 40 DEAB O=S(=O)(Nc1ccc2[nH]nnc2c1)c1ccc(Cl)s1 176529429 ATEBBNOARBDSRB-UHFFFAOYSA-N 314.779 2.474 0 40 DEAB CCc1noc(C)c1C(=O)N1c2ccccc2C[C@H]1C(=O)OC 71857408 JRJCIGYXLDGKBH-AWEZNQCLSA-N 314.341 2.290 0 40 DEAB O=C(NC[C@H]1CCCO1)C1CCN(Cc2ccccc2F)CC1 6258600 AAZGPJMTEMNBRH-MRXNPFEDSA-N 320.408 2.333 0 40 DEAB NC(=O)c1ccccc1NC(=O)c1ccc2c(c1)OCCCO2 65315021 DUKXDSLACHDLBG-UHFFFAOYSA-N 312.325 2.199 0 40 DEAB CC[C@H]1CCCN(C(C)(C)CNC(=O)c2ccc(=O)n(C)c2)C1 71896660 DIYBCTUHFJOCLO-AWEZNQCLSA-N 319.449 2.016 0 40 DEAB Cc1noc(C)c1CC(=O)N(C)Cc1ccc2c(c1)OCCO2 14119384 BMGWEYAWUBKBFH-UHFFFAOYSA-N 316.357 2.264 0 40 DEAB CC(C)CCNC(=O)C(=O)Nc1sc2c(c1C(=O)O)CCC2 6760828 JSKBSOCGWHWYEB-UHFFFAOYSA-N 324.402 2.036 0 40 DEAB CN(C(=O)c1ccc(Br)cc1F)[C@H]1CCNC1 71310047 GCFRLNCAHFJEEG-VIFPVBQESA-N 301.159 2.022 0 40 DEAB COc1cc(NC(=O)COc2ccc(CO)cc2)cc(OC)c1 5958835 XRDGYDXNVDPDMQ-UHFFFAOYSA-N 317.341 2.214 0 40 DEAB C[C@H](Sc1nnc(N)s1)C(=O)N1CCc2ccccc2C1 7535582 FDNOASVCQGEMCU-VIFPVBQESA-N 320.443 2.186 0 40 DEAB CN1CCO[C@H](C(=O)Nc2ccc(Cl)c(OC(F)F)c2)C1 96004223 XTEVHXGJPNNFSR-NSHDSACASA-N 320.723 2.211 0 40 DEAB CCCc1ccc(C(=O)NC[C@H]2CCN(CCOC)C2)cc1 68477402 CALWUIGRQNTCCU-MRXNPFEDSA-N 304.434 2.337 0 40 DEAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 8016982 PNGUPVXRLVRKDC-SECBINFHSA-N 313.313 2.189 0 40 DEAB CS(=O)(=O)C[C@@H](NC(=O)N[C@@H]1C=CCCC1)c1ccccc1 91228408 XXEGWNSBBFWOAY-HUUCEWRRSA-N 322.430 2.180 0 40 DEAB CC[C@H](NCC1CCN(S(C)(=O)=O)CC1)c1ccccc1 71902649 QJZQOTDLSLXEFI-INIZCTEOSA-N 310.463 2.399 0 40 DEAB Nc1ccncc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 82315105 QBEKPDXJVHSGLJ-UHFFFAOYSA-N 316.792 2.280 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(C)nn1CC 69776705 JZTXNVPXIFGYCH-CABCVRRESA-N 304.438 2.300 0 40 DEAB CCCc1noc([C@@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)n1 69778731 LPYAMEPDSAYNCJ-ZIAGYGMSSA-N 324.469 2.108 0 40 DEAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CNC(=O)Cc1ccccc1 69970597 MEPUHLGRJHIRJL-VLIAUNLRSA-N 322.408 2.395 0 40 DEAB COc1ccc(NC(=O)c2c(C)c(C)nn(C)c2=O)c(Cl)c1 71795811 BFDADSZEMBAIDS-UHFFFAOYSA-N 321.764 2.311 0 40 DEAB C[C@H](O)CN(C)C(=O)N[C@H]1CCCC[C@@H]1Oc1ccccc1 96490380 YMBIHLNJYHGEKD-BPUTZDHNSA-N 306.406 2.399 0 40 DEAB O=C(NCc1nc2ccccc2s1)[C@@H]1CCc2cn[nH]c2C1 72302747 SKOGQLTWOXVJML-SNVBAGLBSA-N 312.398 2.441 0 40 DEAB Cc1cnn(Cc2cc(C(=O)Nc3c(C)cccc3O)no2)c1 97233705 ZHQQCXZRERXAMS-UHFFFAOYSA-N 312.329 2.494 0 40 DEAB CC(C)n1cccc1C(=O)N[C@H](C(N)=O)c1ccc(F)cc1 97380145 XISVPQQHHNCCEA-AWEZNQCLSA-N 303.337 2.165 0 40 DEAB CCc1ccc(/C(C)=C/C(=O)NC2CCS(=O)(=O)CC2)cc1 95404105 LKGKKSIZCLJJOQ-OUKQBFOZSA-N 321.442 2.346 0 40 DEAB C[C@@H](C[C@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 95459911 RPDZCTJPLDCGDH-JSGCOSHPSA-N 309.387 2.211 0 40 DEAB CN(C)C(=O)CC1CCN(C(=O)Cc2ccc(F)cc2)CC1 95469050 KOVKGQYLRHGZJV-UHFFFAOYSA-N 306.381 2.085 0 40 DEAB COc1ccccc1OC[C@@H](C)NC(=O)c1ccncc1F 95400411 YXOYJRZHIPFVJP-LLVKDONJSA-N 304.321 2.427 0 40 DEAB O=C(c1nccn2ccnc12)N1CC[C@H](c2ccccc2F)C1 95404253 GMFYXDTUDSDNSB-LBPRGKRZSA-N 310.332 2.498 0 40 DEAB O=C(NC[C@H]1CCCS1)N1CCc2ccccc2[C@H]1CO 95966621 ZGVFENGXSIBCSB-UKRRQHHQSA-N 306.431 2.183 0 40 DEAB CC(=O)CCCn1nc(Br)nc1Br 75093569 XDRSCPNLIWERPZ-UHFFFAOYSA-N 310.977 2.172 0 40 DEAB CCC[C@@H](NC(=O)Cc1cc(Cl)ccc1OC)c1nnn[nH]1 89949586 WDOVPRGELCZMJR-LLVKDONJSA-N 323.784 2.062 0 40 DEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2C)C1=O 409011827 ISNQXPPLZHJPLQ-FJUNDMEASA-N 308.359 2.013 0 40 DEAB COCC[C@@H]1CCOC12CCN(C(=O)C1CC(F)(F)C1)CC2 306133528 MOBZNAKTVJVZSP-CYBMUJFWSA-N 317.376 2.466 0 40 DEAB Cc1noc([C@H](NC(=O)N(C)CC2(N(C)C)CCC2)C(C)C)n1 187168202 YEYIYMJLWISHTD-CYBMUJFWSA-N 323.441 2.201 0 40 DEAB CCN(C)C[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 1017176632 MQXULOHCKSUKLC-YJBOKZPZSA-N 316.445 2.491 0 40 DEAB CCN1C(=O)S/C(=C/c2cc(OC)c(O)c(OC)c2)C1=O 210155316 KTINSHZTIYQCCA-YRNVUSSQSA-N 309.343 2.466 0 40 DEAB CN([C@@H]1CCCNC1)S(=O)(=O)c1ccc(Cl)cc1Cl 79440498 WWJKPNOZHODGLN-SNVBAGLBSA-N 323.245 2.366 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217426260 RXRHUVUREUDNBF-JTQLQIEISA-N 314.407 2.282 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)N1CCC[C@H](c2ccn[nH]2)C1 72270672 VCTXSEMGUAGJEW-QWRGUYRKSA-N 305.407 2.073 0 40 DEAB O=S(=O)(C1CC1)N1CCCN(CCCc2ccccc2)CC1 173095922 MVEQEYUODIKHHX-UHFFFAOYSA-N 322.474 2.119 0 40 DEAB Cc1ccccc1CN1CCn2c(nnc2[C@H]2CCCCN2)C1 72374065 DVZJURAHOFMVKD-MRXNPFEDSA-N 311.433 2.417 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N1CCO[C@H](c2ccccc2)C1 36076038 VRWHAODYMBGMKD-AWEZNQCLSA-N 322.386 2.054 0 40 DEAB Cc1cccc(CNC(=O)c2ccccc2N2CCOCC2)n1 79338346 DMMSCYIBHFAMLC-UHFFFAOYSA-N 311.385 2.157 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(Br)cc1O 44491074 BTUOJMVNTXIOOB-SECBINFHSA-N 324.178 2.170 0 40 DEAB NNc1nc2nonc2nc1Nc1cccc(C(F)(F)F)c1 32188725 PWJYSEIXBKDQCL-UHFFFAOYSA-N 311.227 2.061 0 40 DEAB Cn1cc([C@@H]2C[C@H](NC(=O)c3cc(Cl)cn3C)CCO2)cn1 568662190 PHWJHYWPYWXWCS-OCCSQVGLSA-N 322.796 2.062 0 40 DEAB CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCC(F)F)cc1 225459552 FAAMFXDZZZKHMR-SECBINFHSA-N 320.361 2.106 0 40 DEAB O=C(CC(F)(F)F)N1CCC(N[C@H]2CCCSC2)CC1 225573552 CGUAMRYBWBCLBA-NSHDSACASA-N 310.385 2.415 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)O 195542085 RNJZSPFHQIIFTH-HGNGGELXSA-N 301.264 2.398 0 40 DEAB COC(=O)[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 48264165 REIDZOJOQZOUGX-OAHLLOKOSA-N 315.300 2.407 0 40 DEAB COc1cccc(C(=O)N[C@H]2CCCN(c3ccccn3)C2)c1 130949584 KPERJVMWKJFTHY-HNNXBMFYSA-N 311.385 2.489 0 40 DEAB Cc1nc(CNC(=O)c2cccc(-c3csc(C)n3)c2)n[nH]1 80076786 KWJXEVDEMRWCHD-UHFFFAOYSA-N 313.386 2.475 0 40 DEAB COc1c(C)cc(CN2CC[C@H](C)S(=O)(=O)CC2)cc1C 192049913 SYOBOVPEVDJMQV-AWEZNQCLSA-N 311.447 2.321 0 40 DEAB Cc1nnc([C@H]2CO[C@@H]3CN(C(=O)c4ccc(C)s4)C[C@@H]32)o1 96216401 FFLOUDVUANQQQT-GRYCIOLGSA-N 319.386 2.003 0 40 DEAB COc1c2c(cc3c1OCO3)[C@H](O)CN(Cc1ccccc1)C2 95470443 XWOIXVFLYTXVRQ-OAHLLOKOSA-N 313.353 2.473 0 40 DEAB C[C@@H](NC(=O)Cc1cccc(Br)c1)c1ncon1 97233066 VGPTZVZRYLDYHA-MRVPVSSYSA-N 310.151 2.252 0 40 DEAB CC(C)(C)NC(=O)CN[C@H](CO)c1ccc(Cl)c(F)c1 96500912 CAUAESDUJVARSM-GFCCVEGCSA-N 302.777 2.017 0 40 DEAB O=C(OCc1ccsc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 96442687 FJLXRDABURWQFK-SECBINFHSA-N 307.293 2.202 0 40 DEAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2nccs2)Oc2ccccc21 96111928 BUWDUNBYPCLINJ-AAEUAGOBSA-N 315.398 2.141 0 40 DEAB biogenic,in-vitro Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2Cc1nccs1 96058490 ZFCDPWYYRIJTES-KGLIPLIRSA-N 318.446 2.454 0 40 DEAB COc1cc(CN2CC[C@H](NC(=O)C=C(C)C)C2)cc(OC)c1 96461632 JOELSOAITUNBAG-HNNXBMFYSA-N 318.417 2.361 0 40 DEAB C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@H](O)Cc1ccccc1 97237128 OBFULDOECABDEG-MEBBXXQBSA-N 321.323 2.392 0 40 DEAB C1CO[C@H]2CCN(C3CCOCC3)C[C@@]2(COCC2CC2)C1 96065046 DVHZQLDZPYBQJF-ZWKOTPCHSA-N 309.450 2.463 0 40 DEAB CCCNC(=O)CNC(=O)Nc1ccc2nc(C3CC3)oc2c1 96456580 PKWQDHGVSSTKEQ-UHFFFAOYSA-N 316.361 2.353 0 40 DEAB CCc1ccc(C(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1 96084442 FMLHWGHKRMIKRO-UHFFFAOYSA-N 312.417 2.200 0 40 DEAB CC(C)COC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)c2ccc[nH]2)O1 248156326 ISJSYMXNYHDVDX-BPUTZDHNSA-N 306.406 2.449 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)c3cccn3C)CCN2C)cc1 257245467 IPQJBMYTXNQYDH-KRWDZBQOSA-N 313.401 2.163 0 40 DEAB Cc1ccnc([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 257335295 YJNYWZGQXCJTRW-GFCCVEGCSA-N 321.377 2.102 0 40 DEAB c1ncn2c1CN(CC1CCOCC1)C[C@@H]2CN1CCCCC1 253477672 GZJFUPXZGBLLOB-SFHVURJKSA-N 318.465 2.152 0 40 DEAB CNc1ncc(CN2CCCC[C@H]2c2ccnc(NC)n2)cn1 257246363 ITTYTRSDJIDCMV-AWEZNQCLSA-N 313.409 2.077 0 40 DEAB Cc1cn(C)c([C@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257246941 IWQUYSAEOWHLKA-OAHLLOKOSA-N 303.410 2.079 0 40 DEAB Cc1ncc(CN(C)C(=O)NCc2ncnn2C(C)(C)C)s1 282694684 POKBZCDSTZIQSP-UHFFFAOYSA-N 322.438 2.140 0 40 DEAB CCS(=O)(=O)N1CC2(C[C@@H](OCC3CCCC3)CS2)C1 575403533 GBJUYSJINJMZOV-CYBMUJFWSA-N 319.492 2.103 0 40 DEAB Cc1ccc(CN2Cc3ncn(C)c3[C@@H](C(=O)N3CCC3)C2)cc1 585110887 UWURSLWODIVNGM-INIZCTEOSA-N 324.428 2.060 0 40 DEAB COc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)O)c1 55651091 DQTBKYYTJOASQF-UHFFFAOYSA-N 321.354 2.219 0 40 DEAB Cc1nn2c(=O)cc(COC(=O)CC3CCCC3)nc2s1 60803109 AEOIDIIHHYNHTG-UHFFFAOYSA-N 307.375 2.083 0 40 DEAB C[C@H](NC(=O)C(=O)Nc1cc(F)c(F)cc1F)c1ccccn1 69558057 PKDJEIHRMVSAJO-QMMMGPOBSA-N 323.274 2.315 0 40 DEAB Cc1nc2ncnn2c(N2CCN(Cc3ccccc3)CC2)c1C 15786654 OEOILRPHYJTWSC-UHFFFAOYSA-N 322.416 2.063 0 40 DEAB C[C@H](NC(=O)COCc1nc2ccccc2[nH]1)c1ccccn1 19719882 JCGMZNMWVNNJGN-LBPRGKRZSA-N 310.357 2.352 0 40 DEAB COc1cc(/C=C2\[C@@H](O)C3CCN2CC3)cc(OC)c1OC 1688561 UUCDXOHIZYYSMS-OIQJVACTSA-N 305.374 2.140 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nn2cc(C)nc2s1 106788636 DRYVXXNZHZLBMN-OLZOCXBDSA-N 319.434 2.079 0 40 DEAB CC(=O)N[C@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 32904275 AFCMVKPRLHUKCE-SNVBAGLBSA-N 305.378 2.134 0 40 DEAB CC(C)N1CCC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 2037839881 CVALEYPTQSKTGQ-QGZVFWFLSA-N 306.381 2.432 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@@H]1COC2(CCCC2)O1 9317610 KVDWIRFOKJVNHE-CQSZACIVSA-N 305.374 2.176 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NCCc1ccccc1 9823507 XURIUINSNBOQDN-KRWDZBQOSA-N 323.396 2.116 0 40 DEAB CCc1ccc(S(=O)(=O)NC[C@@H](CCSC)OC)cc1 1775967558 WRBIWVIBBXLAMP-CYBMUJFWSA-N 317.476 2.295 0 40 DEAB Cn1cccc1[C@@H](O)CNC(=O)c1ccccc1Br 75155071 XNBHOCIFLWAEML-ZDUSSCGKSA-N 323.190 2.251 0 40 DEAB CCc1ccc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc1 100537302 XACCTLUDPKUWHC-LRHSVYTJSA-N 315.438 2.223 0 40 DEAB Cn1ncc2c(NCCCO)nc(NC3CCCCCC3)nc21 32071778 BEFIYHMHWKQHIX-UHFFFAOYSA-N 318.425 2.292 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)NCCOc1ccccc1 32433244 NHDNHPQEDOSNEK-UHFFFAOYSA-N 309.362 2.491 0 40 DEAB CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N(CC)CC 21123524 WIOLQGHTPYHBFF-UHFFFAOYSA-N 314.407 2.074 0 40 DEAB NC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 32739737 VFMJSHFFZKICAN-LBPRGKRZSA-N 320.780 2.230 0 40 DEAB O=C(Nc1cccc2cn[nH]c12)c1cn(-c2ccccc2)nn1 32816539 ATSPQVKBAGMCOG-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB COCCn1cc(NC(=O)c2cc3c(s2)CCC3)ccc1=O 46200381 DQTDALDFQOVJBF-UHFFFAOYSA-N 318.398 2.297 0 40 DEAB O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2[nH]1 46422004 UQYKILYTZPFGKC-AWEZNQCLSA-N 321.384 2.357 0 40 DEAB O=C1COc2cc(C(=O)N3CCC[C@@H]3c3ccncc3)ccc2N1 32907492 XHESRAMYUAXZLP-OAHLLOKOSA-N 323.352 2.390 0 40 DEAB CCOC(=O)CCCNS(=O)(=O)c1ccc(Cl)s1 2618755 LFYKARGWNYBPHF-UHFFFAOYSA-N 311.812 2.023 0 40 DEAB Cc1nnc(SCC(=O)N2CCCC2)n1-c1ccccc1 808125 NDNNUGLAJAWDMV-UHFFFAOYSA-N 302.403 2.290 0 40 DEAB COc1cccc([C@H]2C[C@H]2C(=O)N(C)C2CCS(=O)CC2)c1 78986783 GFLXZALLXPFVSB-FEESSWGRSA-N 321.442 2.168 0 40 DEAB Cc1nn(C)c(C)c1CNC(=O)Cc1cn(C)c2ccccc12 79493308 RSWXHKZKAJCNJJ-UHFFFAOYSA-N 310.401 2.388 0 40 DEAB CO[P@](=O)(CN1C(=O)c2ccccc2C1=O)c1ccccc1 6483355 BXRYKYGZAYPUIK-JOCHJYFZSA-N 315.265 2.490 0 40 DEAB C[C@H]1CCCCN1C(=O)COC(=O)c1cnc2ccccc2n1 22124837 GSBYPTUTQNODCA-LBPRGKRZSA-N 313.357 2.188 0 40 DEAB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)NC1CCCC1 8076137 VHNDKNSJDXQYBC-KRWDZBQOSA-N 302.418 2.429 0 40 DEAB CCCCS(=O)(=O)NCc1ccc(Cn2ccnc2)cc1 53667546 AZFLIRGPEWWJAN-UHFFFAOYSA-N 307.419 2.151 0 40 DEAB O=C(O)COc1cccc(/C=N/NC(=O)c2ccc(F)cc2)c1 8812332 MBHXCLHWEMACHH-GIJQJNRQSA-N 316.288 2.053 0 40 DEAB O=C(Nc1cccc(F)c1)c1cc(F)ccc1-n1cnnn1 12390387 UQONFPGGMXIARY-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](CC(C)C)N1CCCC1 42558958 IZEIFPUATPOJRQ-MRXNPFEDSA-N 320.481 2.206 0 40 DEAB CC(=O)Nc1nc(C(=O)NCCCN2CCCC[C@@H]2C)cs1 42723293 HBKNILIQPXMZLM-NSHDSACASA-N 324.450 2.096 0 40 DEAB CN(C)C(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O 24613723 BWRCDTOLFQESKQ-UHFFFAOYSA-N 318.398 2.217 0 40 DEAB Cc1cc(NC(=O)N2CCN(c3cccc(O)c3)CC2)no1 8165899 WNFNWZASFMONQS-UHFFFAOYSA-N 302.334 2.043 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)Nc1ccc(OC2CCCC2)cc1 12539248 JHPCMFSIMCIFSH-LLVKDONJSA-N 305.378 2.264 0 40 DEAB COc1ccc2c(c1)O[C@]1(C[C@@H]3CC[C@@H]1C[C@@H]3C(=O)O)NC2=O 100189647 CCWUXQHRZFPQNH-YDXZUZSKSA-N 317.341 2.035 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2ccc(F)cc2Cl)[nH]n1 51357222 QWCFXLKAOQWAOM-UHFFFAOYSA-N 311.700 2.306 0 40 DEAB CCc1ccc(C(=O)COC(=O)[C@@H](NC(N)=O)[C@@H](C)CC)cc1 3244701 UUUGGBRRNZPRAH-NHYWBVRUSA-N 320.389 2.058 0 40 DEAB O=C(Cn1cc(Cl)cn1)Nc1ccc2c(c1)OCCCO2 58017161 RPBMTIXJNHGOAA-UHFFFAOYSA-N 307.737 2.337 0 40 DEAB NC(=O)c1ccc(C(F)(F)F)n(CCc2cccs2)c1=O 58245872 GOUFFEGZYQELID-UHFFFAOYSA-N 316.304 2.270 0 40 DEAB Cn1nc2c(c1NC(=O)c1ccc3c(c1)OCCCO3)CCC2 58363236 BCACCQKDMXITAK-UHFFFAOYSA-N 313.357 2.322 0 40 DEAB CCOC(=O)c1cc2cc(C(=O)N[C@@H](C)COC)ccc2[nH]1 28096313 YDCRHPFSYPSNAT-JTQLQIEISA-N 304.346 2.109 0 40 DEAB CCCN1CCC(CNC(=O)Cc2cn3ccsc3n2)CC1 58404994 KRXNLQFALKNJGH-UHFFFAOYSA-N 320.462 2.177 0 40 DEAB Cc1cccc(C)c1CCNC(=O)N1CCOC[C@@H]1C[C@@H](C)O 97162019 MHCYYZMIRAQXFM-CVEARBPZSA-N 320.433 2.027 0 40 DEAB Cc1cccc(Cl)c1NC(=O)N1CCS(=O)(=O)[C@H](C)C1 97161885 LDEWVUSCVBXEBB-SNVBAGLBSA-N 316.810 2.299 0 40 DEAB COc1ccc(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cn1 46084006 HJDKWXRJDWNFQR-UHFFFAOYSA-N 323.352 2.379 0 40 DEAB CNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C 3498645 LQOIYWDFVRUQJR-UHFFFAOYSA-N 320.418 2.240 0 40 DEAB COC(=O)[C@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1 8231398 GPVZQVHBHIMVSI-ZETCQYMHSA-N 308.315 2.119 0 40 DEAB COc1ccc(CN[C@@H](C)C(=O)NC2CCCC2)cc1OC 12932618 SNFOJHKYLPZEEH-LBPRGKRZSA-N 306.406 2.241 0 40 DEAB Cn1cc([C@H]2CCCN2C[C@H](O)COCc2ccccc2)cn1 70038138 MWRFLXMSGCLCJH-ZWKOTPCHSA-N 315.417 2.135 0 40 DEAB CC(C)(CNC(=O)c1ccc(Cl)s1)N1CCOCC1 13008118 WQPAKVDADOORJU-UHFFFAOYSA-N 302.827 2.242 0 40 DEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1cc(C)on1 70693371 ZWIUMZPUMGYRNO-OAHLLOKOSA-N 313.357 2.458 0 40 DEAB O=C(CSc1nnnn1C1CC1)N1CC[C@H]2CCCC[C@@H]2C1 8343918 JTQBPFLAPUNOIC-VXGBXAGGSA-N 321.450 2.139 0 40 DEAB CCS(=O)(=O)CC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 64851194 JGEKBSALBFOHAA-ZDUSSCGKSA-N 315.822 2.438 0 40 DEAB O=S(=O)(Nc1ccc(Cl)cn1)c1cccc2nonc12 13947739 VGGZPAGEBWVXIE-UHFFFAOYSA-N 310.722 2.072 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(=O)O 5323224 NOAQIYIIETUINK-RNCFNFMXSA-N 307.350 2.266 0 40 DEAB COc1cccc(Cc2nnc(S[C@H]3CCOC3=O)o2)c1 66257068 YBURWIVUYZIPJY-NSHDSACASA-N 306.343 2.077 0 40 DEAB O=C(O)CCCCCNS(=O)(=O)c1ccc(Cl)s1 6848508 FIXUQUXFRVKSFZ-UHFFFAOYSA-N 311.812 2.325 0 40 DEAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4976109 IRUDLSXNIASDSR-GXTWGEPZSA-N 306.381 2.131 0 40 DEAB COc1ccc2c(c1)C[C@@H](NCc1ccc(C(N)=O)o1)CC2 90179689 LONBVDVPTRYJLS-ZDUSSCGKSA-N 300.358 2.034 0 40 DEAB Cc1ccc(NC2CCN(C(=O)CCc3ccco3)CC2)nn1 69899591 HEHDNOILDSLUEK-UHFFFAOYSA-N 314.389 2.414 0 40 DEAB Cc1noc(C)c1C(=O)O[C@@H](C(=O)NC1CC1)c1ccccc1 7184038 CGEDEURKAOKTHL-OAHLLOKOSA-N 314.341 2.468 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 7386105 YPLQOZKVKJJGQP-XQQFMLRXSA-N 303.406 2.090 0 40 DEAB Cc1cc(C(=O)NCCN2CCc3ccccc3C2)ccc1O 67846819 PEEUZTUSBSQHMQ-UHFFFAOYSA-N 310.397 2.489 0 40 DEAB c1ccc(-c2noc(CN3CCCC[C@@H]3Cn3cccn3)n2)nc1 69951215 VEJNEWDQUNDMBJ-CQSZACIVSA-N 324.388 2.383 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)CSc2cccc[n+]2[O-])c1C 7837855 OQOFIUDGZUWYFY-UHFFFAOYSA-N 304.371 2.443 0 40 DEAB O=c1[nH]c2ccccc2nc1CN1CCO[C@@H](c2ccccc2)C1 97201383 SUJAGZHHRFCPCP-GOSISDBHSA-N 321.380 2.497 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)Nc2cccc(N(C)C)n2)o1 96013138 ONXJPBGSZLYJHE-MRXNPFEDSA-N 318.377 2.078 0 40 DEAB Cc1cc2c(cc1C)O[C@@H](C(=O)NC[C@H]1CCN(C(C)C)C1)C2 96430759 IVZZWMUOTUQCJI-CRAIPNDOSA-N 316.445 2.453 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)C1=Cc2ccccc2OC1 84579406 GSQWZGSWHUEACT-WMZOPIPTSA-N 307.349 2.237 0 40 DEAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc3c(c1)OCO3)C2=O 9591406 JFQRLBIXPNHINS-APPDUMDISA-N 316.357 2.416 0 40 DEAB COc1ncc(CN(C)Cc2ccc3nsnc3c2)cn1 65372600 MRTNGSLKXBGTTH-UHFFFAOYSA-N 301.375 2.122 0 40 DEAB CC(C)(C)c1ccc(C2(C(=O)N3CC[C@@H](C(N)=O)C3)CC2)cc1 71821049 OWGGPEGQFHGELP-CYBMUJFWSA-N 314.429 2.350 0 40 DEAB C[C@]1(c2cccs2)NC(=O)N(CC2(O)CCCCC2)C1=O 71825046 UWSHSPYRHQMNSL-CQSZACIVSA-N 308.403 2.210 0 40 DEAB Cc1cnn(CCNCCC(=O)NCc2ccccc2Cl)c1 71877630 MNGMNXJDBVYMPD-UHFFFAOYSA-N 320.824 2.141 0 40 DEAB CN(C(=O)Cc1ccccc1Br)C1CCNCC1 84748008 NIWZDKBGOVORDB-UHFFFAOYSA-N 311.223 2.202 0 40 DEAB COc1ccc(CCNC(=O)c2ccc(N)cc2)cc1OC 20027537 PSGLHQUWCBRJLS-UHFFFAOYSA-N 300.358 2.259 0 40 DEAB CCC(C)(C)c1ccc(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1 95435292 HUDJNXXWBNUKOG-HUUCEWRRSA-N 318.417 2.137 0 40 DEAB C[C@@H](CCn1cncn1)NCc1cccc2c1OCCCO2 95408390 PZQQZARXLPVEFS-ZDUSSCGKSA-N 302.378 2.008 0 40 DEAB CNC(=O)c1cccc(NC[C@H](c2ccsc2)N(C)C)n1 95401994 QYFPEYXKPIIQHV-CYBMUJFWSA-N 304.419 2.218 0 40 DEAB CCc1ccc(CCC(=O)N2CCOC[C@H]2c2ncon2)cc1 95981330 REDGZSGPWNMTNB-HNNXBMFYSA-N 315.373 2.165 0 40 DEAB COC(=O)c1ncccc1N1CCN(Cc2cccs2)CC1 95972480 YGZNYYGOUOPKSO-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB Cc1cnc(CCNS(=O)(=O)Cc2ccc(F)cc2)s1 74881123 BWPREWBKNPZNPN-UHFFFAOYSA-N 314.407 2.253 0 40 DEAB O=C(N[C@@H]1CCC[C@H]1n1ccnc1)c1cc2ccccc2c(=O)[nH]1 75141857 LXSNSQYZRRMLKK-GDBMZVCRSA-N 322.368 2.248 0 40 DEAB Cc1cc(C)c(CNC(=O)NCc2sccc2C)c(=O)[nH]1 75111259 WOYZMNAHMXVXJF-UHFFFAOYSA-N 305.403 2.361 0 40 DEAB C1=C(c2ccc3c(c2)OCO3)Nc2nnnn2[C@@H]1c1ccccc1 27755117 QNVZCTWTYFMIKA-AWEZNQCLSA-N 319.324 2.458 0 40 DEAB Oc1nc(-c2cccnc2)nc2c1CN(C[C@H]1CCC=CO1)CC2 72339857 LULAFANZNNECHK-CQSZACIVSA-N 324.384 2.295 0 40 DEAB Cc1ccnc(NC(=O)CN(C)C(=O)CCc2ccsc2)c1 75997346 YRZJGLMVOPVOKM-UHFFFAOYSA-N 317.414 2.481 0 40 DEAB COc1ccc(-c2csc3ncc(C(=O)O)c(=O)n23)cc1 34776328 KXJXGPYNRXVXTR-UHFFFAOYSA-N 302.311 2.130 0 40 DEAB OCC[C@@H]1CCCCN1Cc1nnc(Cc2ccccc2)o1 78776826 LVSSCUGXTKANAO-HNNXBMFYSA-N 301.390 2.397 0 40 DEAB O=C(C1CCCC1)N1CCC(n2c(=O)oc3cccnc32)CC1 72343121 XFROKGHFRNNMOA-UHFFFAOYSA-N 315.373 2.343 0 40 DEAB O=C1c2ccccc2C(=O)N1C[C@H]1C[C@@]1(C(=O)O)c1ccccc1 38207887 XWJCCJTWOLBUSW-BFUOFWGJSA-N 321.332 2.325 0 40 DEAB in-vitro CCn1nc(C)c2nnn(Cc3ccccc3Cl)c(=O)c21 72265370 PXGZWTXPKVCWQZ-UHFFFAOYSA-N 303.753 2.018 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H]2CCCc3nc(C)ncc32)cc1 72242697 LRHOMPIXABLSKD-INIZCTEOSA-N 317.414 2.449 0 40 DEAB Cc1ccc(CN(C)C(=O)NCCNC(=O)c2cccs2)o1 194072818 PIHONBLOTCAINC-UHFFFAOYSA-N 321.402 2.221 0 40 DEAB CN(C)C(=O)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 192873704 OKLZOXJGOMWWDX-UHFFFAOYSA-N 321.764 2.203 0 40 DEAB O=[S@]1[C@H]2CC[C@H]1CN(Cc1cccc3c1OCCCO3)CC2 529677325 PCRRGGBAFMUBJX-DFFLPILJSA-N 321.442 2.333 0 40 DEAB CC1(C)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@@H]2CCO[C@H]21 574947415 BMNDUAPFNWFMPE-COLVAYQJSA-N 312.373 2.015 0 40 DEAB O=C1CCCc2cc(S(=O)(=O)Nc3ccccn3)ccc2N1 192669058 LIDFDKLGLDFPRA-UHFFFAOYSA-N 317.370 2.157 0 40 DEAB CC[C@@H](N[C@H]1CCCN(c2cccc(OC)c2)C1)C(=O)OC 192850106 DWVQGCFDGIDKQM-XJKSGUPXSA-N 306.406 2.205 0 40 DEAB CCS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@@H]1C(=O)NC 225521383 CKAPDRDRBRBDIX-STQMWFEESA-N 324.446 2.197 0 40 DEAB CCS[C@@H]1CC[C@H](Nc2ncnc(-n3cccn3)c2N)C1 96483290 HEKQTUNABCHXEK-WDEREUQCSA-N 304.423 2.331 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C2(C)CCC2)cc1 97098708 WIDJQVPLEBDAIN-ZDUSSCGKSA-N 309.431 2.464 0 40 DEAB CNC(=O)N[C@@H]1CC2(CCN(C(C)=O)CC2)c2cc(C)ccc21 96241768 VQUXTTAWNWROGQ-MRXNPFEDSA-N 315.417 2.249 0 40 DEAB Cc1cccc(CN2C[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2=O)c1 96245283 RNGUTZYFZARXHB-OALUTQOASA-N 321.424 2.480 0 40 DEAB Cc1nc(CNC(=O)NCCCn2ccnc2C)sc1C 96439216 UWZJWOROTOVOQP-UHFFFAOYSA-N 307.423 2.154 0 40 DEAB CCn1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)O)cn1 97228682 JAZIFBZKSGOOGU-BXUZGUMPSA-N 301.346 2.095 0 40 DEAB Cc1cc(S(=O)(=O)NC2CCC(O)CC2)c(Cl)cc1F 95432844 KWWAOWPNEICMID-UHFFFAOYSA-N 321.801 2.369 0 40 DEAB CS[C@H](C)CC(=O)Nc1cn(C)cc(Br)c1=O 97237814 IPRIOBLBSFHQSR-SSDOTTSWSA-N 319.224 2.228 0 40 DEAB CSCC[C@@H](Nc1nc(C)cc(C)n1)C(=O)N1CCCC1 95474209 QULXJYQRYAEFKO-CYBMUJFWSA-N 308.451 2.249 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)CN(CC1CCOCC1)C2 96198320 VIHLYVHBBBLXNF-KRWDZBQOSA-N 319.449 2.173 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C1 257299303 RPMMFNULJURBKP-LBPRGKRZSA-N 323.352 2.454 0 40 DEAB COc1ccc([C@@H]2CNCCN2C(=O)c2ccc(C)nc2)cc1 257282268 OTBOCOVSJXHUHI-KRWDZBQOSA-N 311.385 2.185 0 40 DEAB Cc1ccc(CN2CCC[C@@]2(C(=O)N(C)C)c2cnccn2)cc1 257321093 WABDYFBGLFTKIS-IBGZPJMESA-N 324.428 2.365 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@H](c2ccncn2)C1 257252766 JWBVLPGSAQNBSG-HNNXBMFYSA-N 311.385 2.434 0 40 DEAB CCNC(=S)Nc1nc(OC)cc(N2CCC[C@H](C)C2)n1 260735405 HQSUUYAKFNIKAN-JTQLQIEISA-N 309.439 2.028 0 40 DEAB Cc1cnccc1OC1CCN(C(=O)Cc2cncs2)CC1 278228856 FKNZARSGQZWAIZ-UHFFFAOYSA-N 317.414 2.459 0 40 DEAB CC(=O)OC(C)(C)C(=O)NCC(c1ccco1)c1ccco1 669453515 RZCPVVPWEGPOMC-UHFFFAOYSA-N 305.330 2.462 0 40 DEAB Cc1cccc([C@H]2CCCN2C(=O)CN2CSCC2=O)c1 56000674 DAVSVVKXZFKMHN-CQSZACIVSA-N 304.415 2.191 0 40 DEAB CC(C)CNC(=O)[C@@H]1CSCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2 108072461 KELCZGJSVZOQQY-XUXIUFHCSA-N 310.463 2.096 0 40 DEAB C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl 63193997 GQSHTBLBNLQMOM-BXKDBHETSA-N 320.817 2.370 0 40 DEAB O=C(CCc1cncnc1)N1CCn2c(cc3ccccc32)C1 565438177 HDTOBTHJCDIOHR-UHFFFAOYSA-N 306.369 2.406 0 40 DEAB CNC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccccc1 230542 USGNZNXLEAQPQB-VBKFSLOCSA-N 310.353 2.212 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]2C1=O)C31CC1 13150470 MVROWXTYGUZCIV-CUFDPUGPSA-N 323.348 2.175 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1OC 14121065 JLDPFWXGGBRSDY-FRRDWIJNSA-N 322.405 2.140 0 40 DEAB Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)c1 16349622 PTIDJDRYDPRSSZ-UHFFFAOYSA-N 318.398 2.254 0 40 DEAB CC(C)(C)C(C)(C)C(=O)NC[C@@H](O)C(=O)OCc1ccccc1 521394277 MZHGBUKJDSRNEB-CQSZACIVSA-N 321.417 2.279 0 40 DEAB CCOc1ccc(-c2noc(CNC(=O)c3ccoc3)n2)cn1 238821316 CSCURLCKDNRSSQ-UHFFFAOYSA-N 314.301 2.053 0 40 DEAB C[C@@H]1CN(C[C@H](O)c2ccc(Br)cc2)CCO1 61966111 CJMHQFIUPPSYJN-MFKMUULPSA-N 300.196 2.203 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@H]3C2)o1 1565546780 KENVZNZTNYEHLZ-HOCLYGCPSA-N 306.406 2.159 0 40 DEAB CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 3640375 RRJNVSTZJCFTLZ-OLZOCXBDSA-N 317.341 2.089 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2cc(C)cc(C)c2)C1 40160899 XLBUHAYIDRKVRK-HNNXBMFYSA-N 319.401 2.484 0 40 DEAB O=C1c2cccnc2C(=O)N1c1ccc(Br)cn1 20103048 WOOTXGQNVAMATD-UHFFFAOYSA-N 304.103 2.040 0 40 DEAB CCc1nnc(NC(=O)CCc2nc(C(C)(C)C)no2)s1 31273676 ZQHRMMBYLRLPFR-UHFFFAOYSA-N 309.395 2.352 0 40 DEAB COc1ccc([C@H](O)CNC(=O)c2ccc(C(C)=O)s2)cc1 31574137 QOXQMQHCUAZCGU-CYBMUJFWSA-N 319.382 2.423 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cc(C)nn1C 40504923 SWFGPSBIRRMUDF-UHFFFAOYSA-N 301.346 2.121 0 40 DEAB O=C(COCC(F)(F)F)Nc1ccnn1Cc1ccccc1 40544288 DMOHLMOLJXHDKN-UHFFFAOYSA-N 313.279 2.449 0 40 DEAB N[C@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 41028141 GYKCGYPDDYNLIS-VIFPVBQESA-N 301.159 2.152 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(N)s1 2622375 SKNMCCYJGWBCBI-SSDOTTSWSA-N 310.404 2.248 0 40 DEAB CCCCC[C@H]1C[C@](C)(C(=O)CNc2nncs2)OC1=O 1898710 LLAOUEGETGJRFK-IINYFYTJSA-N 311.407 2.421 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 3604013 AMAGYMMOMFURAL-UHFFFAOYSA-N 322.411 2.065 0 40 DEAB COC(=O)C[C@H](NC(=O)c1c(C)noc1C)c1ccc(F)cc1 52870948 OUCJTQKSOJNAAG-ZDUSSCGKSA-N 320.320 2.465 0 40 DEAB CC(C)Oc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1 4392697 YYLUHPZUQRNWKQ-LBPRGKRZSA-N 311.403 2.237 0 40 DEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)cc1)CC(=O)N2 4944439 HZIVVQVYPMTJBM-JTQLQIEISA-N 317.370 2.062 0 40 DEAB C[C@H]1CCC[C@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@@H]1C 6086707 GEVGUBGXFJVHDY-GUTXKFCHSA-N 313.401 2.337 0 40 DEAB Cc1nnc2n1CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 69461937 VOIWYYNFPPLSQR-UHFFFAOYSA-N 323.400 2.433 0 40 DEAB CCCNC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8497837 UZNPUIYWBXRHSM-UHFFFAOYSA-N 312.435 2.067 0 40 DEAB Cc1c(C(=O)N[C@H]2CCN3CCCC[C@H]23)cnn1C(C)(C)C 69437116 APDYKJZNWCQUKL-LSDHHAIUSA-N 304.438 2.303 0 40 DEAB CCc1ccc(NCC(=O)N2CCC3(CC2)OCCO3)cc1F 91550968 TWNZNTUFHCIPJY-UHFFFAOYSA-N 322.380 2.166 0 40 DEAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c(C)[nH]1 23391099 OBSKIMQRDSVSJI-BTDLBPIBSA-N 317.389 2.315 0 40 DEAB COc1cc(CNCc2ccc(N(C)C)nc2)cc(OC)c1 42227481 PYBVDDFFZZNFHT-UHFFFAOYSA-N 301.390 2.455 0 40 DEAB O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCOC1 43042978 SFMVHRNHKXPISI-ZDUSSCGKSA-N 315.373 2.212 0 40 DEAB Cc1nonc1OCCNCc1c[nH]nc1-c1ccc(F)cc1 55088490 SBTNZHMQDJHVJR-UHFFFAOYSA-N 317.324 2.076 0 40 DEAB CS(=O)(=O)Nc1ccccc1NC(=O)Cc1ccsc1 24881872 KFJWQTKANMTUGO-UHFFFAOYSA-N 310.400 2.301 0 40 DEAB COc1ccc(CNC(=O)Nc2cc(C)nn2C)cc1OC 43435463 HFKIEMLXUOTXLQ-UHFFFAOYSA-N 304.350 2.067 0 40 DEAB COC(=O)CN(C)C(=O)COc1ccc(Cl)cc1Cl 35162266 SBRTWIFBZCOVSP-UHFFFAOYSA-N 306.145 2.004 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)N[C@@H]1CCOc2ccccc21 47865810 TTYMXIUJFTUULZ-GXTWGEPZSA-N 300.362 2.095 0 40 DEAB COC(=O)c1ccc(F)cc1NC(=O)Cc1c(C)noc1C 44761150 OLHKPDSAWSQVMQ-UHFFFAOYSA-N 306.293 2.398 0 40 DEAB Cc1ccc(CNC(=O)c2cc(N3CCOCC3)ccn2)s1 97104160 SHTWMDHLVHIYIN-UHFFFAOYSA-N 317.414 2.218 0 40 DEAB O=c1oc2ccccc2n1CCN(C[C@H]1CCOC1)C1CC1 44975363 OEYNDRRWLBJHJJ-CYBMUJFWSA-N 302.374 2.095 0 40 DEAB COc1ccc(C(=O)N2CCN(Cc3cscn3)CC2)cc1 27876342 PRPWAAVPKNVBQN-UHFFFAOYSA-N 317.414 2.110 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1ccnc(-n2ccnc2)c1 58327868 OHDKEIMBJAPVQR-HNNXBMFYSA-N 320.352 2.001 0 40 DEAB COc1cc(NC(=O)Cc2c(C)nn(C)c2C)cc(OC)c1 10511406 FMVISBMZVBGDRO-UHFFFAOYSA-N 303.362 2.235 0 40 DEAB COCCN1CCCN(C(=O)c2ccc(Cl)s2)CC1 48251607 GGHQIJPVOUPMKH-UHFFFAOYSA-N 302.827 2.196 0 40 DEAB O=C(NCc1ccoc1)c1nc(N2CCCC2)ncc1Cl 48252274 COQARCOIDYSEQM-UHFFFAOYSA-N 306.753 2.253 0 40 DEAB O=C(O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 21300052 OMZRNAXQJKWLAQ-SFHVURJKSA-N 310.397 2.458 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccc2c(c1)OCO2 3322138 RDXJXNPLOSWYRO-RYUDHWBXSA-N 319.357 2.362 0 40 DEAB O=C(CN1CCO[C@@H](c2ccc(F)cc2)C1)Nc1nccs1 29658544 HSAADRFCPLEZEC-CYBMUJFWSA-N 321.377 2.294 0 40 DEAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)no2)c1 48341607 SRWVVGPAMIAFID-LLVKDONJSA-N 315.373 2.441 0 40 DEAB Cc1cc2ncc(C(=O)Nc3ccc4c(c3)OCCO4)c(C)n2n1 12972707 JQLUCKITHPBFCC-UHFFFAOYSA-N 324.340 2.370 0 40 DEAB Cc1ccc(F)cc1NC(=O)N1CCN(C[C@H]2CCCO2)CC1 69520819 MINJGIQJUYETCE-OAHLLOKOSA-N 321.396 2.463 0 40 DEAB O=C(Cn1ccccc1=O)N1CCCC[C@@H]1Cc1ccccc1 69557966 CBWSHLCMJWSTFI-QGZVFWFLSA-N 310.397 2.472 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)COc1ccccc1C(N)=O 4341344 YCSPXBYGFPAUPR-LBPRGKRZSA-N 310.353 2.142 0 40 DEAB Cc1ccc(CNC(=O)CSc2nc(C)cc(N)n2)cc1 8750603 ODRJVJRQUQIBCE-UHFFFAOYSA-N 302.403 2.084 0 40 DEAB CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 4482402 MAUWJRAVERQLTR-AWEZNQCLSA-N 304.346 2.276 0 40 DEAB c1cc(-c2noc(CCc3nc(-c4ccncc4)no3)n2)ccn1 65564620 RAJLFHCEEJGDEY-UHFFFAOYSA-N 320.312 2.362 0 40 DEAB COCCN1CCN([C@@H](C)c2nnc(-c3ccccc3)o2)CC1 69947382 DPEIVLNQKXWUEN-AWEZNQCLSA-N 316.405 2.062 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H]1c1cccs1 14123251 YFTURKZJQZRMAW-WDEREUQCSA-N 318.450 2.479 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 14139040 GESKSXWGXIMFFZ-GFCCVEGCSA-N 302.374 2.110 0 40 DEAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1nncs1)C(C)C 21213207 LXZPHLJWAQUBJI-LBPRGKRZSA-N 318.402 2.240 0 40 DEAB COc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 20572419 NOFOPZAKUJBCJV-QWRGUYRKSA-N 312.797 2.396 0 40 DEAB COc1cccc2c(C)nc(Nc3nc4c(c(=O)[nH]3)CCC4)nc12 18244539 INEQFCGFNQTZEL-UHFFFAOYSA-N 323.356 2.262 0 40 DEAB C[C@@H]1OCC[C@H]1C(=O)NCC1(c2ccc(F)cc2)CCOCC1 92336336 ZSBKFTRVJVZSDL-XJKSGUPXSA-N 321.392 2.415 0 40 DEAB C[C@@H](NC(=O)C(=O)Nc1cnc2ccccc2c1)c1ccncc1 70728711 DYCQAVVENYSWPV-GFCCVEGCSA-N 320.352 2.446 0 40 DEAB CCOCCOC(=O)c1ccccc1SCC(=O)NC1CC1 23077131 NEFPQUJWFPLEIT-UHFFFAOYSA-N 323.414 2.251 0 40 DEAB Cc1ccn2cc(C(=O)OCc3ccnc(N(C)C)c3)nc2c1 96006855 ANSBPDGEPYHEGE-UHFFFAOYSA-N 310.357 2.461 0 40 DEAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(OC)cc1)C2O 19320192 HZEHWUHANVYMFF-UHFFFAOYSA-N 316.445 2.492 0 40 DEAB biogenic Cc1cc(C2=CSC3=NS(=O)(=O)CCN23)c(C)s1 7717111 QADVGDWLUDIZPL-UHFFFAOYSA-N 300.430 2.412 0 40 DEAB Cn1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cn1 71282809 GXSAEKDNXQECJB-NSHDSACASA-N 301.350 2.149 0 40 DEAB COc1ccc(Br)cc1CSc1nnnn1C 8100677 BQXHXCZHXNPJEM-UHFFFAOYSA-N 315.196 2.274 0 40 DEAB Cc1nc(CN2CCO[C@@H](Cn3cccn3)C2)nc2ccccc12 69392777 WAXMEERAVNDTQL-OAHLLOKOSA-N 323.400 2.036 0 40 DEAB COc1cccc(CNC(=O)c2cnn(-c3ccccc3)n2)c1 8331620 RYPJVFANRNHYIH-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 70173638 BXYJOWKYEWBVQN-NXEZZACHSA-N 320.817 2.227 0 40 DEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccn1 19822826 PDJFTJPHOGJWMY-UHFFFAOYSA-N 310.762 2.147 0 40 DEAB CN(CC(=O)Nc1cc(Cl)ccc1Cl)C1CC(O)C1 97376371 MJEXOAPGFZYWOE-UHFFFAOYSA-N 303.189 2.387 0 40 DEAB CC(C)c1cc(C(=O)NCC[S@](=O)Cc2ccccc2)n[nH]1 71893183 VJIRTZCZDUSLLR-JOCHJYFZSA-N 319.430 2.212 0 40 DEAB COc1ccnc(NCCCC(=O)N2Cc3ccccc3C2)n1 95395971 SRSODPWFBUVYAD-UHFFFAOYSA-N 312.373 2.220 0 40 DEAB CCCn1nc(C)c(CNCCNc2ccc(C)nn2)c1C 95414134 CSZZODXQTRRSHR-UHFFFAOYSA-N 302.426 2.210 0 40 DEAB NC(=O)[C@H]1CCCN1Cc1ccccc1NCc1cccnc1 95428967 FSRLTFKNZDZKBD-QGZVFWFLSA-N 310.401 2.143 0 40 DEAB COC(=O)[C@@H](C)c1c(C)nn(Cc2noc(C(C)C)n2)c1C 95431593 FAQZGFMESBHWHM-VIFPVBQESA-N 306.366 2.331 0 40 DEAB CC[C@H](C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)on1 72295300 RJJMBRAHQZOXKF-SMDDNHRTSA-N 315.373 2.015 0 40 DEAB CC[C@@H](C)C(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 72291468 MTPFIPITRXSEHF-GFCCVEGCSA-N 324.446 2.262 0 40 DEAB CCO[C@H](C)c1noc(CN2CCC[C@@H]2c2noc(CC)n2)n1 72290828 XCIKOMJXDQAKBU-GHMZBOCLSA-N 321.381 2.450 0 40 DEAB Cc1nnc(CN(C)C(=O)CCc2ccc(Cl)s2)n1C 72271061 VJBVATQJGIYJMT-UHFFFAOYSA-N 312.826 2.430 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2Cc3cccc(F)c3O2)no1 72299063 PPSOCEPDLQPLCI-STQMWFEESA-N 317.320 2.184 0 40 DEAB CCCc1nnc(N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)s1 95418466 ROIKHFOESOOVTJ-NEPJUHHUSA-N 311.451 2.247 0 40 DEAB COc1cccc(N[C@H]2CC(=O)N(CCc3ccccc3)C2=O)c1 95949682 ZSJPSPRHCSBQTC-KRWDZBQOSA-N 324.380 2.477 0 40 DEAB C[C@H]1CC[C@@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)O1 95966885 NMXDHFYVJVOLLF-STQMWFEESA-N 312.410 2.023 0 40 DEAB CO[C@H](CNC(=O)N1CCOC[C@H]1C)c1cccc(Cl)c1 74871690 AZGHTUUPKPWMQI-BXUZGUMPSA-N 312.797 2.458 0 40 DEAB COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c(F)c1 32646540 LNTFWIIDPXQLHT-KRWDZBQOSA-N 315.300 2.247 0 40 DEAB CCCCc1nnc(SCC(=O)NCc2ccco2)n1C 408560671 NCJKMOFLKNIRCJ-UHFFFAOYSA-N 308.407 2.159 0 40 DEAB O=C(C[C@@H]1CCCc2ccccc21)NC[C@@H]1CCS(=O)(=O)C1 78666084 HDTXEONHHFOTJY-ZFWWWQNUSA-N 321.442 2.048 0 40 DEAB O=C(NC[C@@]1(O)CCOC1)N[C@@H](CC1CCC1)c1ccccc1 183627403 CLJVPZXHHVTUIN-WMZOPIPTSA-N 318.417 2.369 0 40 DEAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(F)cc2)cc1OC 72227203 KGVQAEUIDZKXHY-HOTGVXAUSA-N 316.332 2.258 0 40 DEAB CN1CCC2(CC1)CN(C[C@@H]1CCOC1)Cc1ccccc1O2 72394176 FPLZYVCGCFPPLG-INIZCTEOSA-N 316.445 2.382 0 40 DEAB COc1ccc(Cl)cc1C(=O)Nc1cnc(N(C)C)nc1 125710689 BYWLBUICKHFQJU-UHFFFAOYSA-N 306.753 2.457 0 40 DEAB O=C(Nc1ccccc1N1CCCC1=O)N[C@H]1CCCC[C@@H]1O 188454163 BJXNDCOBYAMJNB-ZFWWWQNUSA-N 317.389 2.238 0 40 DEAB CC(C)n1nc(O)c2c1N=C(O)CS[C@@H]2c1cnn(C)c1 79494682 QDYQIIHKKLTULV-LLVKDONJSA-N 307.379 2.327 0 40 DEAB CS(=O)(=O)CCN1CCC[C@@H]1c1nc2ccccc2s1 44871206 HHHFQIQRAYUAKV-GFCCVEGCSA-N 310.444 2.478 0 40 DEAB COC(=O)c1cccc(NC(=S)NC[C@H]2CCCO2)c1C 44663072 FYJOCTABGVRFRP-LLVKDONJSA-N 308.403 2.247 0 40 DEAB O=C(NCc1c(F)cccc1OC(F)F)[C@H]1CCCOC1 96443911 WWZHBSSQGBAPOX-VIFPVBQESA-N 303.280 2.470 0 40 DEAB O=C(N[C@H]1C[C@@H]1c1ccc(F)cc1F)c1nccn2ccnc12 96436537 COTXWMIRBWXTLX-YPMHNXCESA-N 314.295 2.293 0 40 DEAB CN(Cc1nc(N)c2ccccc2n1)[C@@H]1CCCc2c1cnn2C 97370290 URMNDDNLFNVEBF-OAHLLOKOSA-N 322.416 2.455 0 40 DEAB Cc1ccn2ncc(C(=O)O[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2n1 96424072 YZZQTQPLLZBLBN-FPMFFAJLSA-N 315.373 2.398 0 40 DEAB CCn1cc(CNCc2ccc(N3CCOC3=O)cc2)cn1 96501569 QVHXPBFAHJXTAV-UHFFFAOYSA-N 300.362 2.149 0 40 DEAB COC[C@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccc1 96068788 SSGCQMJYCQTKDF-KRWDZBQOSA-N 312.417 2.434 0 40 DEAB CSC1(CNC(=O)CCCc2ccccn2)CCOCC1 96425600 RTZOPKSHNPHDHF-UHFFFAOYSA-N 308.447 2.433 0 40 DEAB CCc1cc(CNC(=O)N[C@H](C)CCc2cccn2C)[nH]n1 96440646 PYPMGWPVANWXMJ-GFCCVEGCSA-N 303.410 2.131 0 40 DEAB COC(=O)CCN1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 95436589 SGSPCSRJUOESEF-QWHCGFSZSA-N 317.307 2.376 0 40 DEAB Cc1cc(C(=O)NC[C@@H](CO)Cc2ccccn2)ccc1F 96454738 FIKDFRCEWLCORX-ZDUSSCGKSA-N 302.349 2.110 0 40 DEAB Cn1cc(CN2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)cn1 96046042 FQBXWPJTWXWETD-BFHYXJOUSA-N 304.419 2.229 0 40 DEAB COC[C@H](O)CNC(=O)Nc1ccc(Cl)cc1-n1cccc1 96418087 VXMFBVMFCWHLNV-GFCCVEGCSA-N 323.780 2.260 0 40 DEAB CCN(CC)CC[C@H]1CN(CC2CCOCC2)Cc2cncn21 248245269 JFZAOVWWWHICJB-KRWDZBQOSA-N 320.481 2.398 0 40 DEAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 257271232 MXKSQTSMJOXTFE-ZDUSSCGKSA-N 302.378 2.272 0 40 DEAB O[C@H]1CCN(CCCOc2ccccc2F)C[C@@]12CCCO2 257342977 ZQVIMPDYGHXQIT-IRXDYDNUSA-N 309.381 2.210 0 40 DEAB Cc1ccnc([C@H]2CCN(Cc3cnn4c(C)cc(C)nc34)C2)n1 257230475 GCNDZELBFBJBFV-HNNXBMFYSA-N 322.416 2.434 0 40 DEAB O=C(c1cnc2ccccc2c1)N1CCOC[C@@H]1c1ccn[nH]1 257334225 YFBUWWHSXXQZTR-MRXNPFEDSA-N 308.341 2.172 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(Cc3nccs3)C[C@@H]21 257286358 PLGUQXVCAWSBQH-HZSPNIEDSA-N 315.446 2.280 0 40 DEAB CNC(=O)[C@H](NCc1ccc(OC)c(OC)c1)c1ccccc1 43830294 ZXGJPBSNYMIPBF-QGZVFWFLSA-N 314.385 2.281 0 40 DEAB C[C@H](NC(=O)N1CCC(C(F)(F)F)CC1)c1cnn(C)c1 266474567 GMOJZGQGJZYGIS-VIFPVBQESA-N 304.316 2.465 0 40 DEAB CN(C)C(=O)C[C@@H]1OC[C@H]2CN(CC3CCCCC3)CC[C@@H]12 585109298 HRMZKHAIPROBOP-ZACQAIPSSA-N 308.466 2.382 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1ccn(-c2cccc(Cl)c2)n1 57468554 AEHDHCVBVJEIAJ-UHFFFAOYSA-N 321.764 2.207 0 40 DEAB O=C1OCCN1CCSc1nnc(Cc2cccs2)o1 66261430 TUCKPTXFNYXCAN-UHFFFAOYSA-N 311.388 2.266 0 40 DEAB O=C(C1CCCCC1)N1CCC(c2ccnc3ncnn23)CC1 72334860 OEWBYERZLQIUIZ-UHFFFAOYSA-N 313.405 2.411 0 40 DEAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)nc1 40411975 LSGKCYTZARYWST-NSHDSACASA-N 304.733 2.305 0 40 DEAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)on1 13596952 LQWAMDLRIRVSFQ-UHFFFAOYSA-N 308.359 2.417 0 40 DEAB CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16681671 JMAJBDHLTZKSND-UHFFFAOYSA-N 324.446 2.146 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 17054194 CZQDHPQTMYYWFI-OWLDWWDNSA-N 317.341 2.143 0 40 DEAB COc1cccc(C2=NO[C@H](CC3(C(=O)O)CCOCC3)C2)c1 19565084 WDVVAVQBGYPADX-AWEZNQCLSA-N 319.357 2.460 0 40 DEAB Cc1cc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)on1 9575482 BMDVXUARNDRXBI-OAHLLOKOSA-N 324.340 2.127 0 40 DEAB c1cnc(N2C[C@@H]3CN(c4nc5cnccc5s4)C[C@H]3C2)nc1 1888875631 YTCQROLCRKKYCF-VXGBXAGGSA-N 324.413 2.054 0 40 DEAB CN(Cc1cccc(F)c1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 33000165 LMFRDOBRDWGCDI-CJNGLKHVSA-N 322.405 2.238 0 40 DEAB COc1cccc2cc(C(=O)N3CC[C@H](c4ncon4)C3)oc12 244955787 FZTZQKUTLYSKIF-NSHDSACASA-N 313.313 2.454 0 40 DEAB COc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NCCO3)cc1 9171492 LOPWXSCZHOIKPB-UHFFFAOYSA-N 312.325 2.070 0 40 DEAB CC(=O)Nc1nc(CC(=O)NCCc2ccccc2)cs1 9814627 VOWWVJUUAHATPP-UHFFFAOYSA-N 303.387 2.003 0 40 DEAB CO[C@H](CNS(=O)(=O)CCc1ccccc1)c1ccco1 206863915 GAUHMIRNBQGQAC-OAHLLOKOSA-N 309.387 2.129 0 40 DEAB Cc1cccn2cc(CNS(=O)(=O)c3ccccc3F)nc12 20485373 XVWRYIQDAVBFFA-UHFFFAOYSA-N 319.361 2.260 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1cnn(C)c1)c1ccccc1Cl 30374816 NRRKOVPQCSCENV-CYBMUJFWSA-N 321.764 2.108 0 40 DEAB COCCSc1nnc(C)n1-c1cccc(NC(C)=O)c1 40497748 YNADBGVGGLTNSJ-UHFFFAOYSA-N 306.391 2.273 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCCN(c2ccc(Cl)nn2)C1 40513581 VKXHAIFZQLPIKI-NSHDSACASA-N 320.780 2.256 0 40 DEAB C[C@@H](OCC(F)(F)F)C(=O)NC[C@H]1COc2ccccc2C1 40523535 HJFRRKBHWUORFV-MNOVXSKESA-N 317.307 2.321 0 40 DEAB COc1ccc(CCC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc1 40536307 WHFLDDCEDYDEMN-INIZCTEOSA-N 320.433 2.247 0 40 DEAB Cc1ccc(C(N)=O)c(O[C@H](C)C(=O)N2CCCCCC2)c1 32869464 SSZVSJPAHRKTJZ-CYBMUJFWSA-N 304.390 2.264 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(C(N)=O)cs2)c2ccccc2O1 71896829 OSMMRDNGQOLUSN-SECBINFHSA-N 302.355 2.275 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(F)c1 76082196 DXUHRRKTGQFFPF-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CCN1CC[C@@H](N(C)c2ncc(Br)cn2)[C@H](C)C1 78332790 XACZYYVGJUCUPY-ZYHUDNBSSA-N 313.243 2.406 0 40 DEAB CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)[C@@H](C(=O)OC)[C@H](C)C2 2499338 IOZDSNZITSUTKA-LNLATYFQSA-N 321.373 2.443 0 40 DEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)C(C)C)no1 21871724 MORKJKJJFTXKED-QWRGUYRKSA-N 313.423 2.204 0 40 DEAB CC1(C)Cc2cccc(OCC(=O)NCc3ccncc3)c2O1 7451051 UMOXAPPZNMJHMM-UHFFFAOYSA-N 312.369 2.490 0 40 DEAB C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccccc1Cl 53492175 RQXWTEUVGAEKAS-SNVBAGLBSA-N 309.797 2.308 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N(C)C)nc1 22421538 DULZCHKYKRCAFA-MEDUHNTESA-N 313.357 2.315 0 40 DEAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 104180040 XROPXCGXUXGSFX-AEGPPILISA-N 312.369 2.273 0 40 DEAB CCCCOc1ccc2cc(C(=O)NCCNC(C)=O)[nH]c2c1 47718116 JKROTSWJCTZHDL-UHFFFAOYSA-N 317.389 2.213 0 40 DEAB Cc1nc(CCNC(=O)NCCc2csc(C)n2)cs1 25055443 RPUMOUAMUOGLGJ-UHFFFAOYSA-N 310.448 2.301 0 40 DEAB 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PREKBFNTUSNAKN-UHFFFAOYSA-N 317.370 2.387 0 40 DEAB CCOc1ncccc1C(=O)NCC1(N(C)C)CCCCC1 3363834 QVZUNVWRTWGPBB-UHFFFAOYSA-N 305.422 2.475 0 40 DEAB COc1ccc(-n2ccnc2SCCN2CCOC2=O)cc1 28189132 HLUAHQJJFHAQTQ-UHFFFAOYSA-N 319.386 2.425 0 40 DEAB Cc1cc(=O)n2nc(NCCc3ccccc3C)sc2n1 12892392 BONFJBPDGORSJU-UHFFFAOYSA-N 300.387 2.422 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccn(C)n1 12973971 RPHDUBNPFACHQO-OAHLLOKOSA-N 310.357 2.323 0 40 DEAB Cc1ccc(CC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 12946737 VQKMDSHAKDPOED-UHFFFAOYSA-N 321.380 2.433 0 40 DEAB COC(=O)/C(=C/c1c[nH]c2ccccc12)NC(=O)C(F)(F)F 3671820 DGSPKYRZSLMNFQ-WDZFZDKYSA-N 312.247 2.360 0 40 DEAB CN(C(=O)COc1cc(C(F)(F)F)nn1C)c1ccccc1 4091650 NPDSZJJDZIFUOO-UHFFFAOYSA-N 313.279 2.481 0 40 DEAB O=S(=O)(NCCCc1ccccc1)c1cccc2nonc12 13938302 CBKSJZPPHQSICA-UHFFFAOYSA-N 317.370 2.134 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NC2CC=CC2)cc1 97163940 KBUGGEVTZIJMRO-ZDUSSCGKSA-N 322.430 2.175 0 40 DEAB C[C@@H]1CCCN(C(=O)[C@@H](C)n2cc(Br)cn2)C1 28224539 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DEAB C[C@H]1CN(c2ncccc2C(F)(F)F)CCN1CC(C)(C)O 275670307 ZMCHOSZDNGZVOI-NSHDSACASA-N 317.355 2.382 0 40 DEAB CC(C)c1noc([C@H](C)N2CCC(CN3CCOCC3)CC2)n1 51959551 UCJULLUZBSBEKY-AWEZNQCLSA-N 322.453 2.298 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1F 5251214 DPXJDGVEWNJNGE-UHFFFAOYSA-N 300.333 2.432 0 40 DEAB CC(=O)N1c2ccc([C@@H](O)CN3CCSCC3)cc2C[C@H]1C 12146819 HAFCIMVXAGBSSN-PXAZEXFGSA-N 320.458 2.066 0 40 DEAB O=C(O)[C@]1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCCNC1 12157311 NOXXXUOPFLKLJB-CJNGLKHVSA-N 306.337 2.163 0 40 DEAB COCCCn1c(S)nnc1COc1cccc(OC)c1 13535127 ISHIXVYBNHKMIJ-UHFFFAOYSA-N 309.391 2.191 0 40 DEAB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H]1C[C@H]1C 14913396 AWXGFQCBRRRQRS-BXUZGUMPSA-N 308.809 2.461 0 40 DEAB Cc1cc(Br)cc(C(=O)OC[C@H]2CNC(=O)C2)c1 156375730 IQZAFOFXXHYZRY-SECBINFHSA-N 312.163 2.050 0 40 DEAB COC(=O)C1=CCC2(CCN(C(=O)OC(C)(C)C)CC2)OC1 238315948 SLHXWLAVCZAVAJ-UHFFFAOYSA-N 311.378 2.276 0 40 DEAB COc1cc(CNS(=O)(=O)c2cc(F)ccc2C)ccn1 32412885 LEESAZJPSTXYMC-UHFFFAOYSA-N 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DEAB CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 3350776 DCUFXDHREVUGRV-UHFFFAOYSA-N 300.280 2.010 0 40 DEAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)COc1ccc(Cl)cc1 58063510 NVLORQAYWGQLJO-MNOVXSKESA-N 312.797 2.138 0 40 DEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1 58166106 WCFLQIJENTWFEK-BXUZGUMPSA-N 313.357 2.442 0 40 DEAB C[C@@H]1CCCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44836202 MYTOJZFLUQAUKJ-GFCCVEGCSA-N 302.374 2.351 0 40 DEAB c1cc2c(cc1-c1n[nH]cc1CNCC[C@@H]1CCCO1)OCO2 58264241 UUTDKWUYHTTZIP-AWEZNQCLSA-N 315.373 2.464 0 40 DEAB CCNC(=O)COC(=O)c1cc(C)n(Cc2ccco2)c1C 25685383 IGEYNWOJJJRHNL-UHFFFAOYSA-N 304.346 2.039 0 40 DEAB CNc1snc(C)c1C(=O)NC[C@@H]1COc2ccccc2C1 28076345 KELFTOLWZXDMCG-LLVKDONJSA-N 317.414 2.474 0 40 DEAB O=C(C1CC=CC1)N1CCC(CCCN2CCOCC2)CC1 97236369 UFQYLDAFEFBLCU-UHFFFAOYSA-N 306.450 2.304 0 40 DEAB Cc1ccc(C(=O)NCC(=O)N(C)CCc2ccccc2)s1 45178770 QYXKDKIFXCTRAG-UHFFFAOYSA-N 316.426 2.487 0 40 DEAB NC(=O)C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 13006450 RQOAZOPFKHWJMI-UHFFFAOYSA-N 319.163 2.470 0 40 DEAB C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1Cl 63193995 GQSHTBLBNLQMOM-SKDRFNHKSA-N 320.817 2.370 0 40 DEAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)N1CCC[C@H](C(=O)O)C1)CC2=O 4045389 YOFGYQIZDUGKMQ-JECHBYEQSA-N 307.390 2.095 0 40 DEAB biogenic O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCc2ccccc21 5089003 JREPBVJEEDKALC-UHFFFAOYSA-N 323.331 2.069 0 40 DEAB COc1cc(CN[C@@H](C)Cn2nc(C)cc2C)cc2c1OCO2 65488885 OQHRJUFPYRULSD-LBPRGKRZSA-N 317.389 2.416 0 40 DEAB Cc1n[nH]c(C)c1SCC(=O)NCc1ccc2c(c1)OCO2 14120127 YGBAFYLLEDWDAX-UHFFFAOYSA-N 319.386 2.164 0 40 DEAB Cc1cn(S(=O)(=O)c2cc(Cl)ccc2Cl)c(=O)[nH]1 9203823 PDOUDYQCWLSQPF-UHFFFAOYSA-N 307.158 2.029 0 40 DEAB O=C(COC(=O)c1ccno1)N[C@H](c1ccccc1)C1CC1 84522105 QAFHAENVAFITJR-OAHLLOKOSA-N 300.314 2.099 0 40 DEAB O=C(NC1CCCC1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 4731737 MGZUADVHUQDVAF-CQSZACIVSA-N 318.392 2.276 0 40 DEAB C[C@H](CNC(=O)Cc1ccc(O)cc1Cl)Cn1ccnc1 96003840 VAZANWYOJDRVRP-LLVKDONJSA-N 307.781 2.237 0 40 DEAB CCN(CC)c1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)c(O)c1 90688315 KWXRFOIZXVNTMV-HNNXBMFYSA-N 319.449 2.405 0 40 DEAB CCS(=O)(=O)CC(=O)N[C@H](C)Cc1ccc2ccccc2c1 69491933 UJCNDKUNAMTYLH-CYBMUJFWSA-N 319.426 2.322 0 40 DEAB Cc1ccc(OCCC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 71793242 CQCMHGGNQCPANG-QGZVFWFLSA-N 312.369 2.107 0 40 DEAB C[C@H](N[C@@H](C)[C@@H](C)n1cccn1)c1nc(=O)c2ccccc2[nH]1 69597374 JUZUYYQREVQERG-RWMBFGLXSA-N 311.389 2.420 0 40 DEAB CCc1nc(CCNC(=O)NCc2ccc(C)nc2)cs1 69624439 OYVYIXAZKONHRU-UHFFFAOYSA-N 304.419 2.451 0 40 DEAB COc1ccc(-c2cnc(CN(CC(N)=O)C(C)C)o2)cc1 71831040 XLOBGKGGMYAMFT-UHFFFAOYSA-N 303.362 2.046 0 40 DEAB COC(=O)c1nn(C)c(C)c1NC(=O)c1cc(C)ccc1C 72251083 KAZOXBYHNHEKHG-UHFFFAOYSA-N 301.346 2.384 0 40 DEAB O=C(c1cnccn1)N1CCC(NC[C@@H]2CC=CCC2)CC1 95434031 KRVMSMJEUHMPNQ-CQSZACIVSA-N 300.406 2.027 0 40 DEAB CCN(CCO)C(=O)c1c(C)nn(Cc2ccccc2)c1Cl 98077143 HBAZLGQTUVMCTL-UHFFFAOYSA-N 321.808 2.348 0 40 DEAB COC(=O)[C@H]1Cc2ccccc2CN1CC[C@H]1CCCN1C 95981654 OWQGNCBOFYYBPS-IAGOWNOFSA-N 302.418 2.071 0 40 DEAB CO[C@@]1(C)C[C@@H](NC(=O)N(CC(C)(C)O)C(C)C)C1(C)C 95973338 UVTKLXHBMLUIRY-WBMJQRKESA-N 300.443 2.381 0 40 DEAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H]1CCCOc2c(F)cccc21 95995086 MQUUZIWRAUCUST-ZOWXZIJZSA-N 320.364 2.276 0 40 DEAB CCc1nsc(N2CCn3c(nnc3-c3ccccc3)C2)n1 89295640 PDRRTXOYJDXICT-UHFFFAOYSA-N 312.402 2.379 0 40 DEAB CCC(=O)c1cccc(S(=O)(=O)NCc2cc(CC)no2)c1 89282970 DDDMIEDCGQLHMZ-UHFFFAOYSA-N 322.386 2.308 0 40 DEAB CC(C)NC(=O)c1ccc(NCCOc2ccccc2)nn1 75142088 BMKXCHPDCFYFPA-UHFFFAOYSA-N 300.362 2.106 0 40 DEAB COc1cc(C2(C(=O)N3CCN(C)C[C@H]3C)CC2)ccc1C 89647057 BQNITFOPCSAHML-CQSZACIVSA-N 302.418 2.198 0 40 DEAB CCOCCC1(CNC(=O)N2CC[C@]3(CCOC3)C2)CCC1 89986778 VLHCTERHCKVOSR-KRWDZBQOSA-N 310.438 2.405 0 40 DEAB Cc1c(NC(=O)N(C)[C@H](C)C[S@@](C)=O)cccc1N(C)C 121235176 LXPDFLLUGBRCGC-FIKIJFGZSA-N 311.451 2.292 0 40 DEAB O=c1c(N2Cc3cnn(-c4ccccc4)c3C2)nccn1C1CC1 549684427 AMKHQGTVQQIDKS-UHFFFAOYSA-N 319.368 2.284 0 40 DEAB O=C(NCc1ccc(Cl)cc1)c1ccnc(-n2cnnc2)c1 32647019 SQJLLOYDDOWKPC-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CCCN(C)C[C@H]1CCN(c2ncc(Br)cn2)C1 78563071 AUFXYIPFGIUVNB-LLVKDONJSA-N 313.243 2.407 0 40 DEAB Cc1nn(Cn2ccc(C(=O)N(C)CC3CC3)n2)c(C)c1Cl 72251167 PREPUYPPHZREMN-UHFFFAOYSA-N 321.812 2.338 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)CNc1cccc(C(F)(F)F)c1 74689277 LEBUJNCAQYFJTK-SECBINFHSA-N 318.295 2.185 0 40 DEAB NC(=O)c1ccc2[nH]c(-c3cncc(Br)c3)nc2c1 216728906 DOWKZJUHTRHXHK-UHFFFAOYSA-N 317.146 2.486 0 40 DEAB O=C(CCN1CCC[C@@H](N2CCCC2=O)C1)c1ccc(F)cc1 71576133 IBQMGKSAUXGWIP-MRXNPFEDSA-N 318.392 2.485 0 40 DEAB Cc1cc(-c2cnc(NC[C@H]3COCCO3)nc2C2CC2)on1 72340365 UTJNQJOXPNLNKB-LBPRGKRZSA-N 316.361 2.145 0 40 DEAB CCOCCOCc1cccc(NC(=O)N2CCO[C@@H](C)C2)c1 47605044 XORBCWIKJRQEFJ-AWEZNQCLSA-N 322.405 2.492 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccccc2O)cc1C(=O)O 226858411 ZSHNIWRHNVKFGI-UHFFFAOYSA-N 307.327 2.200 0 40 DEAB CS(=O)(=O)Nc1cc(C(=O)N2CCCCC2)ccc1Cl 61341543 XVZFIEPHTXJNAW-UHFFFAOYSA-N 316.810 2.338 0 40 DEAB O=C1C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)CN1 75158266 QVIHCWJLWLIFJF-INIZCTEOSA-N 308.381 2.213 0 40 DEAB CCO[C@H]1C[C@](O)(CNC(=O)/C=C/c2cncc(C)c2)C1(C)C 191714042 KEUIETOVZXHVAI-MLCBILRFSA-N 318.417 2.086 0 40 DEAB CCc1nc(CC(=O)NC2CCN(CC(F)F)CC2)cs1 61602373 ARIJOSIEJSARSP-UHFFFAOYSA-N 317.405 2.094 0 40 DEAB O=C(NC[C@H]1CC[C@H](O)C1)NCC1(c2ccccc2F)CC1 195578337 VZHZIQUWPOBGLE-STQMWFEESA-N 306.381 2.318 0 40 DEAB CCc1nnc2n1C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2 97199512 ZFMUEJDXKKWTQS-OAHLLOKOSA-N 322.416 2.131 0 40 DEAB O=C(NCCOc1cccnc1)N1CCCC[C@@H]1c1cn[nH]c1 97234372 HPNRQSWZEYDERY-OAHLLOKOSA-N 315.377 2.120 0 40 DEAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)CCn1cncn1 96412753 VMNUXBRLBOFVSX-IAQYHMDHSA-N 322.796 2.214 0 40 DEAB CC(C)c1nnc(CN2CCn3c(nnc3-c3ccccc3)C2)o1 96441782 ZZAGNFPLVIQRQK-UHFFFAOYSA-N 324.388 2.467 0 40 DEAB CCC(CC)(CNC(=O)c1sccc1C)S(C)(=O)=O 96432864 OYMMGWGIQSQDBL-UHFFFAOYSA-N 303.449 2.390 0 40 DEAB Cc1cccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)n1 96053620 ZYGIKHFEYKMAEW-ZBFHGGJFSA-N 321.380 2.125 0 40 DEAB Cc1occc1C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1 96110636 LYCBHSTYXCJRHY-HOTGVXAUSA-N 311.385 2.187 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(Cc1nccs1)CC2 96196841 RKNMDBXAIZAPSB-UHFFFAOYSA-N 319.478 2.238 0 40 DEAB O=c1[nH]n(C2CCOCC2)c2c1[C@@H](c1ccncc1)CC(O)=N2 95478679 PFKMVHJZDAZGJW-GFCCVEGCSA-N 314.345 2.047 0 40 DEAB COc1ccc(NC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1CO 97103156 BENCBVOSAOUAMT-AVGNSLFASA-N 306.406 2.387 0 40 DEAB Cc1cn2c(=O)c(C(=O)Nc3ccccc3O)cnc2s1 91171553 ZBMXHASHXRSYGI-UHFFFAOYSA-N 301.327 2.022 0 40 DEAB c1csc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)c1 247842181 QLXRUOUXTRJDBH-CYBMUJFWSA-N 317.414 2.351 0 40 DEAB CN(C)CCOC[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccsc1 248024682 RZOATZVKNZAFGE-ULQDDVLXSA-N 324.490 2.306 0 40 DEAB O=C(c1cc2cccc(F)c2[nH]1)N1CCOC[C@H]1c1ccn[nH]1 257236511 HCNHHZPBPWZPIQ-AWEZNQCLSA-N 314.320 2.244 0 40 DEAB Cc1cccnc1C(=O)NCc1ccnc([C@H]2CCCOC2)n1 257299039 ROKULNCQDPPUBL-ZDUSSCGKSA-N 312.373 2.004 0 40 DEAB O=C(c1ccccn1)N1CCO[C@@H](Cc2ccc(F)cc2)C1 257223704 DYOIPSLWGAUCDR-HNNXBMFYSA-N 300.333 2.304 0 40 DEAB CC(C)N1CCC(Cc2cc(N3CCOC3=O)ncn2)CC1 257228836 FVLOTIXZHRDFGF-UHFFFAOYSA-N 304.394 2.096 0 40 DEAB CC[C@H]1CN(c2ccnc(C(F)(F)F)c2)CCN1C[C@H](C)O 283703301 CURNJPVOWCJEAW-RYUDHWBXSA-N 317.355 2.382 0 40 DEAB COC1CCN(c2ccc(NS(=O)(=O)C3CC3)cc2)CC1 96122395 GUVKBNBHGQMDSA-UHFFFAOYSA-N 310.419 2.206 0 40 DEAB CC[C@@H](C)N1C[C@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O 585099299 CCQMDKBCFPDWRX-MLGOLLRUSA-N 322.840 2.353 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCC3(CCCNC3=O)CC2)c1 585102408 IMYZKIANIBSFLO-UHFFFAOYSA-N 300.402 2.436 0 40 DEAB C[C@H](C[S@](C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 585140642 HWGHVVYALYOVJW-QEPQHEEQSA-N 317.813 2.466 0 40 DEAB FC(F)(F)c1ccnc(N2CCN(c3ccccn3)CC2)n1 44711252 PVASVVBCTJZWQF-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CNc2cccc(C(=O)N(C)C)c2)C1 56018518 LZBKNTARTHJCAV-KBPBESRZSA-N 317.433 2.305 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)CC1=O 55999848 UDFNGBUOLMZDKH-GOEBONIOSA-N 318.392 2.228 0 40 DEAB C[C@H](C(=O)Nc1ccccc1)N1CCN(Cc2ccccn2)CC1 53811127 MWIRUNZRBTXPKR-MRXNPFEDSA-N 324.428 2.226 0 40 DEAB O=C(C1CCCC1)N1CCN(C[C@H](O)c2cccs2)CC1 56921525 PZAKZXNREVLGNX-AWEZNQCLSA-N 308.447 2.116 0 40 DEAB Cc1cccc(N2CCN(c3ncnc4[nH]cnc34)CC2)c1C 78600145 QXUVJYQQKBHIKN-UHFFFAOYSA-N 308.389 2.296 0 40 DEAB O=C(NC[C@H](Cc1cccc(F)c1)N1CCCCC1=O)C1CC1 85467538 XAOQOHHJQPBSRC-INIZCTEOSA-N 318.392 2.276 0 40 DEAB Cc1cc(CNC(=O)c2cc(O)nc3ncn(C)c23)ccc1F 552880353 BHLXPLIQVWNNKL-UHFFFAOYSA-N 314.320 2.051 0 40 DEAB Cc1ncsc1CN1CCO[C@](CO)(Cc2ccccc2)C1 1615190859 IYRSYAJBIKAFNL-QGZVFWFLSA-N 318.442 2.258 0 40 DEAB Cn1cc(S(=O)(=O)NCc2cc(-c3ccco3)cs2)cn1 1775968151 KRCNOANIDBZUMQ-UHFFFAOYSA-N 323.399 2.220 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)c1 13154199 VYTIHJCAZFZCNH-VZAMPYOESA-N 311.337 2.314 0 40 DEAB CCS(=O)(=O)Nc1cccc(C(=O)NCc2ccccc2)c1 14254104 SUDHNVZAFKYTBX-UHFFFAOYSA-N 318.398 2.378 0 40 DEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccccc2)c1 16693601 PKVKSPCWLRAQSP-UHFFFAOYSA-N 305.355 2.438 0 40 DEAB Cc1cc(C[C@H](C)NC(=O)Nc2nnc(C(F)F)s2)n[nH]1 158423934 KMMIUWQCUGQJOH-YFKPBYRVSA-N 316.337 2.260 0 40 DEAB NCC(=O)N[C@H]1CC[C@H](N(Cc2ccccc2)C2CC2)CC1 247703675 BRLOOPRCGLNTMT-WKILWMFISA-N 301.434 2.037 0 40 DEAB Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4C[C@H]3CS4)CC2=O)cc1 575606796 MFBFNCYDQPOHMN-AEGPPILISA-N 316.426 2.064 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(O)cc2)[C@@H]1C 5061170 KMQWSQPEAMQTIM-JMSVASOKSA-N 305.374 2.490 0 40 DEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3cnccn3)C2)nn1 1888843245 OOYULPADZQSRNG-CYBMUJFWSA-N 313.405 2.469 0 40 DEAB CN(C)c1cc(N2CCN(Cc3ccccc3F)CC2)ncn1 1889119575 JIIWXJDUNGSTPX-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB CN(CCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCCc2ccccc21 26905083 BFYNYPUFRZIJAG-OAHLLOKOSA-N 315.417 2.326 0 40 DEAB CCc1cc(C(=O)N[C@@H]2CCCN(c3ccccn3)C2)no1 2037684445 GMJNITZALOBPBR-GFCCVEGCSA-N 300.362 2.031 0 40 DEAB COc1ccc(C)cc1NC(=O)C(=O)NCc1cccs1 5250872 FSCSNBGATFXHCX-UHFFFAOYSA-N 304.371 2.320 0 40 DEAB CNC(=O)[C@@H](NCc1ccc(OC)c(OC)c1)c1ccccc1 43830299 ZXGJPBSNYMIPBF-KRWDZBQOSA-N 314.385 2.281 0 40 DEAB Cc1cnc(N2CCC[C@H](C(=O)N3CCC(F)(F)CC3)C2)nc1 2298034801 LTKOWXKFIXADPH-ZDUSSCGKSA-N 324.375 2.259 0 40 DEAB CCCC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 40481304 XJOLZJICMXKJQB-UHFFFAOYSA-N 320.418 2.242 0 40 DEAB CCc1noc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)n1 40489695 OAXQDMDNCVWIIW-VIFPVBQESA-N 318.308 2.128 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)Nc1ccc(C(=O)N(C)C)cc1 40485082 BWGJUBLGVLXQSL-UHFFFAOYSA-N 320.780 2.336 0 40 DEAB NC(=O)C1CCN(C[C@@H](O)c2cc(Cl)ccc2Cl)CC1 51090122 REQIGKKYKKVSNY-CYBMUJFWSA-N 317.216 2.224 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1cccnc1N1CCCC1 40536358 IAPMVFBRKDQDAO-UHFFFAOYSA-N 300.362 2.468 0 40 DEAB CCn1cnnc1C1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 101401812 DCIAZBPFLVHCHR-KBPBESRZSA-N 302.422 2.440 0 40 DEAB N=c1c2c3c(sc2[nH]c(=O)n1Cc1ccco1)CCCC3 101980163 VWNIYVDWWJOIDV-UHFFFAOYSA-N 301.371 2.391 0 40 DEAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)C(F)(F)c1ccc(F)cc1 52193773 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CCN1C(=O)N[C@H](c2ccc(F)c(F)c2)[C@H]2C(=O)CCC[C@]21O 103526822 DBINCBPSBBSQJM-FMKPAKJESA-N 324.327 2.109 0 40 DEAB Cc1nnc(C)n1NC(=O)c1ccc(OC(F)(F)F)cc1 10030759 UWBCMKMKPNSBKU-UHFFFAOYSA-N 300.240 2.177 0 40 DEAB CCCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1O)C(=O)O 10186458 MYZSMTVVLIKELT-NSHDSACASA-N 314.769 2.217 0 40 DEAB O=C(NCCNC(=O)C1CC1)c1cnc(-c2ccccc2)s1 47047201 FBESCKKMOMEKHR-UHFFFAOYSA-N 315.398 2.066 0 40 DEAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 54009977 GPKYBRNDQHECQE-JTQLQIEISA-N 313.332 2.415 0 40 DEAB CCN(C(C)=O)c1nc(CSc2nc(C)cc(N)n2)cs1 24841150 VRUHQXZDNCTLIM-UHFFFAOYSA-N 323.447 2.489 0 40 DEAB Cc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)c(C)c1 24962992 MENHUJMEVKBXPS-UHFFFAOYSA-N 317.414 2.359 0 40 DEAB Cc1cccc[n+]1CCCN1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O 101612506 BLVBTWMDWYRUEH-HUUCEWRRSA-N 319.812 2.190 0 40 DEAB O=C(CN1CCSCC1)N(Cc1ccccc1F)C1CC1 47986848 VLGRDHWLPIKKHJ-UHFFFAOYSA-N 308.422 2.366 0 40 DEAB CCN1C(=O)/C(=C2\Sc3ccccc3N2C)N(C)C1=S 101409340 KQJHFNTYSODDGM-ACCUITESSA-N 305.428 2.476 0 40 DEAB CCCNC(=O)NC(=O)CSc1nc(-c2ccccc2)c[nH]1 27659897 YCQAKNXLIURNJS-UHFFFAOYSA-N 318.402 2.405 0 40 DEAB Cc1cc(CN(C)C(=O)Nc2cnc3c(c2)c(C)nn3C)no1 48236562 YCHAZMMEOAFOKG-UHFFFAOYSA-N 314.349 2.237 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCN(CC(F)(F)F)CC2)n1 44586374 AYXVGZRGCWORSS-SNVBAGLBSA-N 306.332 2.434 0 40 DEAB C[C@H](NC(=O)[C@@H](C)n1cccn1)c1ccc2c(c1)OCCO2 44679231 DQTCRGSEDOONFW-NWDGAFQWSA-N 301.346 2.093 0 40 DEAB COc1ccccc1S[C@H](C)c1nc(N)nc(N(C)C)n1 58246284 YWSKCZQNZQCBFT-SECBINFHSA-N 305.407 2.382 0 40 DEAB COC(=O)[C@@H](NC(=O)C1CC1)c1ccc(Br)cc1 58290174 IXAGDCNVLOSEKW-NSHDSACASA-N 312.163 2.189 0 40 DEAB COC[C@@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 44969995 ZIWWMJNMWALYOY-ZJUUUORDSA-N 308.403 2.226 0 40 DEAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCO1 27866239 BFXKEXQYBPEIKU-JOYOIKCWSA-N 311.765 2.409 0 40 DEAB Cn1nccc1C1CCN(Cc2nc(-c3ccco3)no2)CC1 58326264 VBBOYKFFMCYZTO-UHFFFAOYSA-N 313.361 2.443 0 40 DEAB O=C(Nc1ccc(F)cc1)N1CCN(CCN2CCCC2)CC1 22789454 SBUDOWHYGVTPPF-UHFFFAOYSA-N 320.412 2.071 0 40 DEAB CCS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1OC 58439771 LMCXZDYQMBOKCX-MWLCHTKSSA-N 312.391 2.051 0 40 DEAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CS3)no1 25135541 MGMDSAMMUUKPSZ-UHFFFAOYSA-N 317.370 2.299 0 40 DEAB CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@H]1CCCO1 69873702 NNCFWGUXCOSYGQ-CHWSQXEVSA-N 314.426 2.221 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCOCC(F)(F)F 69810374 UROMSLGJOVMDFK-OLZOCXBDSA-N 322.371 2.431 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1c(=O)n(C)c2ccccc21 12919845 ONNRVRDUPIFWSW-OLZOCXBDSA-N 301.390 2.035 0 40 DEAB Cc1csc(=O)n1CCSc1nnc(NC2CC2)s1 14076161 VWDCXLCSVPOYPK-UHFFFAOYSA-N 314.461 2.436 0 40 DEAB O=C(Cc1ccc2ccccc2c1)NC[C@H]1CN2CCC[C@@H]2CO1 65606466 BLNKRMQBTDWLTD-MOPGFXCFSA-N 324.424 2.362 0 40 DEAB COCCNc1nc2sc3c(c2c2ncnn12)CCCC3 5556917 PUBUSNYESXPZRL-UHFFFAOYSA-N 303.391 2.276 0 40 DEAB C[C@H]1CCc2nc(NC(=O)CN3CCSC3=O)sc2C1 14707235 MKQUGHLETCYCHS-QMMMGPOBSA-N 311.432 2.375 0 40 DEAB O=C(O)CCCC(=O)NCCCn1ncc2c(Cl)cccc21 71196079 CVZAPPKXPQXPBU-UHFFFAOYSA-N 323.780 2.451 0 40 DEAB CCOc1cccc(C(=O)Oc2ccc(-n3cnnn3)cc2)c1 15838952 GQDMSPYFLPGTDM-UHFFFAOYSA-N 310.313 2.280 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN2CCN(C3CC3)C(=O)C2)cc1 93444479 XGEBTFRVNMFYBW-UHFFFAOYSA-N 310.401 2.192 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 24256367 VYMQSTOSEJYGDQ-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB C[C@@H](OC(=O)C1=NNC(=O)CC1)c1nc2ccccc2s1 8311913 UYIJNUVRLLUCSH-MRVPVSSYSA-N 303.343 2.167 0 40 DEAB C/C(=C\C(=O)NCCCN1CCCC1=O)c1ccc(F)cc1 96400771 UVUBKWQJRLOZPC-OUKQBFOZSA-N 304.365 2.358 0 40 DEAB C[C@@H](O)CN1CCN(c2ccnc(-c3ccccc3)n2)C[C@H]1C 71859503 CGQMUTQSLZOPMH-HUUCEWRRSA-N 312.417 2.035 0 40 DEAB Cc1csc(N2CCCN([C@@H](C)c3nnc(C)o3)CC2)n1 71824906 YAQQFDQHBXFWPN-NSHDSACASA-N 307.423 2.416 0 40 DEAB COc1ccc(Cl)cc1CN1CCC[C@H](N2CCNC2=O)C1 71841130 RGFDJFLPPZIEDB-AWEZNQCLSA-N 323.824 2.338 0 40 DEAB COc1ccccc1[C@H](O)CNCc1cccc2c1OCCO2 71819634 AHMCXFSWXAAIML-OAHLLOKOSA-N 315.369 2.290 0 40 DEAB CCn1c(CNC(=O)c2cn3cccnc3n2)nc2ccccc21 71808694 BNXOCRNDBGCLKQ-UHFFFAOYSA-N 320.356 2.029 0 40 DEAB O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1cn[nH]c1 97379356 IFHQXUQFQULONA-UHFFFAOYSA-N 305.281 2.370 0 40 DEAB Cn1cccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)c1=O 97083024 ZMXQLEDPZGAFNK-UHFFFAOYSA-N 323.356 2.097 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)[C@@H]1SCCc2ccccc21 72298533 PPSWOPUBJGEIEK-XJKSGUPXSA-N 313.426 2.345 0 40 DEAB C[C@H]1CN(C(=O)CNc2cc(F)c(F)c(F)c2)C[C@H](C)O1 72296265 FDWHJPJVYWPFSK-IUCAKERBSA-N 302.296 2.152 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2cc(C)nn2CC)no1 72299633 NVTCYBCWDUZJKS-NSHDSACASA-N 303.366 2.134 0 40 DEAB CCCc1cc(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)n[nH]1 72286992 ZZZKQDHPUGBMKR-LBPRGKRZSA-N 314.389 2.428 0 40 DEAB Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)n(C)n1 72257775 GVYGMNCMTDCFTP-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)no1 72231995 IBPWODCIDKDXSQ-NSHDSACASA-N 306.391 2.092 0 40 DEAB COC(=O)C1(NC(=O)c2ccc3c(c2)OCO3)CCC(C)CC1 84689218 NDAURYICVAPQEF-UHFFFAOYSA-N 319.357 2.267 0 40 DEAB CC(C)S(=O)(=O)CCSc1nccc(C(F)(F)F)n1 84622335 HPBDFOGVAIXOOA-UHFFFAOYSA-N 314.354 2.411 0 40 DEAB CN(CCCn1ccnc1)C(=O)N[C@@H]1CCc2c(O)cccc21 95426985 YAIMIMWZTCGKSM-OAHLLOKOSA-N 314.389 2.308 0 40 DEAB Cc1noc(-c2cccnc2N2CC[C@H](Oc3ccccn3)C2)n1 95418484 AMRLIQAMMZOOKR-ZDUSSCGKSA-N 323.356 2.493 0 40 DEAB Cc1ccccc1Cc1nnc(Cn2c(=O)oc3cccnc32)o1 95426075 WBSPSRWOQLIJMJ-UHFFFAOYSA-N 322.324 2.320 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccn(C(C)C)n1 88268426 YOQJAHDOPDXLCS-OLZOCXBDSA-N 307.394 2.316 0 40 DEAB CN(Cc1ccncc1)C(=O)NCc1cn(-c2ccccc2)nn1 88622647 YMPPBMQYLXSXAB-UHFFFAOYSA-N 322.372 2.004 0 40 DEAB Cn1ccnc(NC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c1=O 85733729 WQAKJYUGAWEQFG-NWDGAFQWSA-N 303.749 2.176 0 40 DEAB CN(C)S(=O)(=O)c1ccc2nc(Cl)c(Cl)nc2c1 74942140 ODSUZZOFDSXGGP-UHFFFAOYSA-N 306.174 2.187 0 40 DEAB COCc1ccccc1CNC(=O)CN1C[C@H]2CCC[C@@H]2C1 89420373 MXSHHHBHGFHSSG-HZPDHXFCSA-N 302.418 2.181 0 40 DEAB CC(C)C[C@H](NC(=O)Nc1nncs1)C(=O)OC(C)C 75138796 WPGHBQAFCPCBHC-VIFPVBQESA-N 300.384 2.026 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)Cn1c(C2CC2)nc2ccccc21 89938111 YVUWLCZOWCMJKI-ZDUSSCGKSA-N 312.417 2.076 0 40 DEAB Cc1cc(C)n(CCNC(=O)c2cccc(Cn3cccn3)c2)n1 28573855 XGJNJOHKSNKPGC-UHFFFAOYSA-N 323.400 2.175 0 40 DEAB COc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)c(F)c1 555915125 XONVBXRWZKIEDZ-UHFFFAOYSA-N 321.308 2.103 0 40 DEAB NNc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 73667328 DVMCOXPAXLGPTP-UHFFFAOYSA-N 300.749 2.384 0 40 DEAB CN(Cc1[nH]nc2c1CCCC2)CC(C)(C)CN1CCOCC1 36740637 YQWZBQDDESCGDE-UHFFFAOYSA-N 320.481 2.079 0 40 DEAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2)o1 6314333 MSNWRPSKCGEGNX-UHFFFAOYSA-N 300.767 2.457 0 40 DEAB CS(=O)(=O)CCC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 75159229 TZEJSFLGVTYGDF-GFCCVEGCSA-N 301.795 2.048 0 40 DEAB O=C(Cc1csc(-c2ccccc2)n1)N1C[C@@H]2CC[C@H](C1)N2 65468184 YSBMMWDQAPQGAV-OKILXGFUSA-N 313.426 2.315 0 40 DEAB CCCN(CC(=O)O)C[C@@H](O)COCc1ccccc1Cl 563966004 FZAJCYUIEMIOLH-CYBMUJFWSA-N 315.797 2.014 0 40 DEAB Cc1ncsc1-c1nc(CC(=O)NC2CCCCC2)no1 78773419 YLBPMVIHEMBXRO-UHFFFAOYSA-N 306.391 2.493 0 40 DEAB CCCCc1nnc(SCc2nc(C(C)(C)C)no2)n1N 79017446 CIIQCLRCBSZNIO-UHFFFAOYSA-N 310.427 2.307 0 40 DEAB CCN(CC)c1nc(C)cc(C(=O)N(C)Cc2ccco2)n1 71195383 LDUCGCIHFDXXFS-UHFFFAOYSA-N 302.378 2.496 0 40 DEAB CCNC(=S)Nc1nc(C)cc(Sc2ncccn2)n1 225883667 CBZDWSGWECTUNU-UHFFFAOYSA-N 306.420 2.033 0 40 DEAB NC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc2ncccc12 195544586 CKEYSRDNGGDIRU-OCCSQVGLSA-N 319.430 2.031 0 40 DEAB CN(C)CCn1cc(NC(=O)/C=C/c2ccc(F)cc2)cn1 61647037 VDYKQVIYJVVNFX-VMPITWQZSA-N 302.353 2.236 0 40 DEAB O=C(COc1ccc2c(c1)CCCC2)NCCCn1ccnc1 132887923 PCCXJQCFTFZQER-UHFFFAOYSA-N 313.401 2.347 0 40 DEAB O=C(NCC(=O)N1CC[C@@H]2CCCC[C@@H]21)c1ccc(F)cc1 575047749 ANXDWTRMVOJHKP-WFASDCNBSA-N 304.365 2.347 0 40 DEAB COc1ccccc1CSCc1nc(-c2nc[nH]n2)no1 195576548 GKSRTRSRARQMJL-UHFFFAOYSA-N 303.347 2.297 0 40 DEAB Cc1cc(C)c2c(c1)CCN(S(=O)(=O)[C@@H]1CCO[C@@H]1C)C2 190501589 PVUYOIXHLSDUDI-CZUORRHYSA-N 309.431 2.169 0 40 DEAB CN1C[C@@H](c2nc[nH]n2)c2cc(C(=O)NC3CCCC3)ccc21 96267727 QLGRGOIGWPXNAA-CQSZACIVSA-N 311.389 2.059 0 40 DEAB Cc1nc(COC(=O)c2cccc(-n3cnnn3)c2)sc1C 96442723 BXDVKKOYGVBRNC-UHFFFAOYSA-N 315.358 2.093 0 40 DEAB Cc1ccc(-n2nc(C(=O)N3CCc4[nH]ncc4C3)cc2C)cc1 96494944 XTXKPCQXGVBYMB-UHFFFAOYSA-N 321.384 2.411 0 40 DEAB c1ccc(CN2CCC3(CC2)CN(c2ccccn2)CCO3)nc1 96158989 OVLOYDWWGGGGCN-UHFFFAOYSA-N 324.428 2.348 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1 96246056 NOPXVOCRNQLODJ-WCQYABFASA-N 316.382 2.328 0 40 DEAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccco3)C[C@H]21)N1CCCC1 96058262 LHUZBCSVBHBHBT-IXDOHACOSA-N 318.417 2.129 0 40 DEAB c1cncc(N2CCCn3nnc(CN4CCCCC4)c3C2)c1 96259609 WRPWHXXXKARFIH-UHFFFAOYSA-N 312.421 2.069 0 40 DEAB COCC(=O)NCCCc1ccc(Br)cc1F 96407440 ZGUXJVDWOBFOFP-UHFFFAOYSA-N 304.159 2.283 0 40 DEAB CONC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 96484394 QQNFJUXJFAWURL-RYUDHWBXSA-N 301.749 2.085 0 40 DEAB O=C(NCC1CC1)[C@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21 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DEAB CC(C)[C@@H](NCC(=O)N1CCCCC1)[C@H](O)c1ccccc1 390834630 JLESNJIVHSFKKF-QZTJIDSGSA-N 304.434 2.347 0 40 DEAB O=C(C1CCOCC1)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585279949 UFTSCCFQNHZNQW-WBVHZDCISA-N 321.392 2.004 0 40 DEAB CN(C)CCCN(C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585289667 LTNZICNZJUXHLO-RCCFBDPRSA-N 324.440 2.370 0 40 DEAB Cn1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1=O 89756660 QXVYOVWZHDYLMO-UHFFFAOYSA-N 322.118 2.458 0 40 DEAB COc1ccc([C@@H]2SCC(=O)N2c2nncs2)cc1F 5765453 KQLBTICHOIPHQU-NSHDSACASA-N 311.363 2.464 0 40 DEAB CC(C)(C)C(=O)COC(=O)CCc1nc2ccccc2[nH]c1=O 13483111 ROPLFGHHCOFVRY-UHFFFAOYSA-N 316.357 2.014 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2cn(C)cn2)C1 643914385 QAOQLWSRVMYZGE-QGZVFWFLSA-N 319.380 2.229 0 40 DEAB Cc1ccc(-c2nnc(CNC(=O)c3ccsc3)o2)cn1 19215329 UPRIUXMZUPUVLE-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB Cn1cncc1C(=O)Nc1cc(-c2cccc(Cl)c2)on1 572765166 GTMQQOWSPPTDHK-UHFFFAOYSA-N 302.721 2.981 0 40 DEAB O=C(O)[C@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 35302807 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321.402 2.337 0 40 DEAB O=C(NCCOc1ccc2ccccc2c1)c1cccc[n+]1[O-] 47272203 JNQNLTTWFHSVOQ-UHFFFAOYSA-N 308.337 2.282 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC1CCN(C(C)(C)C)CC1 58405297 ARDDFWFUSAWHAS-UHFFFAOYSA-N 307.486 2.147 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1 100178872 HRRAYUPUFBTSDL-YHUYYLMFSA-N 323.348 2.314 0 40 DEAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2cccs2)CC1 23248517 GZCJEPBSQWFWIN-INIZCTEOSA-N 315.442 2.092 0 40 DEAB CCOCCOCc1cccc(NC(=O)N2CCOCC2)c1 47604162 WTBJQEUFPOJMRB-UHFFFAOYSA-N 308.378 2.104 0 40 DEAB O=C(Cc1ccsc1)N1CCO[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107721074 ISPZEUBXYWYBMN-ZOBUZTSGSA-N 321.442 2.476 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@H]1c1ccccc1Cl 71416951 DGHYOZPFGOUGMQ-NWDGAFQWSA-N 316.792 2.298 0 40 DEAB O=C(NCc1ccncc1)C12CC(CN1Cc1ccccc1)C2 97124401 BLFBZVZVCQEOMD-UHFFFAOYSA-N 307.397 2.362 0 40 DEAB CCO[C@H](CC)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 57186592 ODVMMIFQTPQEGM-OAHLLOKOSA-N 310.438 2.053 0 40 DEAB 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DEAB O=S(=O)(Oc1ccc(-n2cncn2)cc1)c1ccccc1 71915750 ZCWJXLHHYSHSDV-UHFFFAOYSA-N 301.327 2.035 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H]2CSc3nc(C)nn32)cc1 9614810 GCSQWDHRRLMRIO-LLVKDONJSA-N 309.416 2.016 0 40 DEAB COc1nc(C(=O)NC[C@@H](C)N(C)C2CC2)cc2ccccc12 72095175 UCEYGMIQBQEGQP-GFCCVEGCSA-N 313.401 2.456 0 40 DEAB CC(C)C[C@@H](N[C@@H]1CCCSC1)c1nc(-c2nc[nH]n2)no1 97084735 PUWFEZIYYCKXGI-GHMZBOCLSA-N 322.438 2.427 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1cc(F)cc2[nH]cnc12 95429927 WOHFHMNYEVXSJA-ZBFHGGJFSA-N 311.316 2.090 0 40 DEAB COc1ccc2nc(C)cc(C(=O)OCCCNC(C)=O)c2c1 95405271 BXPXBSAMIHWEQM-UHFFFAOYSA-N 316.357 2.235 0 40 DEAB CCc1nncn1CCNC(=O)NC(C)(C)c1cccc(C)c1 74873417 VROZKOXGJFZPQQ-UHFFFAOYSA-N 315.421 2.383 0 40 DEAB Cc1cc(=O)[nH]c(-c2ccc(NCCCc3cn[nH]c3C)nc2)n1 89568364 SGJGCAXUHVKAQZ-UHFFFAOYSA-N 324.388 2.217 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n1 75130110 ZJEMPNWVQHLRTP-OAHLLOKOSA-N 315.421 2.214 0 40 DEAB CN1C[C@@H](NC(=O)c2cccc(OC3CCCC3)c2)CCC1=O 75143138 XMFYQKKDICCNOU-AWEZNQCLSA-N 316.401 2.359 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)CCc1nc2ccccc2s1 89937987 NIBQSKAROXXGPK-GFCCVEGCSA-N 303.431 2.391 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(=O)n([C@@H]2C=CCCC2)c1 89969032 KBROEQKUGJPBMW-CYBMUJFWSA-N 310.419 2.160 0 40 DEAB C[C@@H](C(=O)N1CCC([C@@H](O)c2ccccc2)CC1)n1cccn1 75580720 VMYBQBOZWHFKMT-YOEHRIQHSA-N 313.401 2.416 0 40 DEAB COC(=O)C(=Cc1cc(Cl)c(O)c(Cl)c1)C(=O)OC 409052726 ACVCQARQUMOIMZ-UHFFFAOYSA-N 305.113 2.428 0 40 DEAB O=C(NCCC[C@@H]1CCCN1)c1n[nH]c2ccc(Cl)cc12 518531927 HUUPAURXIBENAR-NSHDSACASA-N 306.797 2.478 0 40 DEAB O=C(NC1CC1)C1CCN(c2ncnc3ccsc23)CC1 54837555 XBFPFTYFHOIALZ-UHFFFAOYSA-N 302.403 2.186 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)Nc1cccc(-c2nccn2C)c1 77444827 MIDLFZMIXRRRPU-UHFFFAOYSA-N 324.388 2.485 0 40 DEAB O=C(Cc1ccccc1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070981 WXUNRVFLKMGLCR-GOSISDBHSA-N 320.392 2.197 0 40 DEAB C[C@@H](CNC(=O)CNC(=O)c1ccccc1)c1ccsc1 73371188 SBQYKQFUZGXLMR-LBPRGKRZSA-N 302.399 2.398 0 40 DEAB CC(C)CNC(=O)CSCc1nc(N)c2ccccc2n1 78555662 XAWRWDDTHFGHNK-UHFFFAOYSA-N 304.419 2.217 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3nc(C)ncc32)cc1 72242695 LRHOMPIXABLSKD-MRXNPFEDSA-N 317.414 2.449 0 40 DEAB CN(C)C(=O)c1cc(NC(=O)NCC2(C)CCCC2)ccn1 77717925 LLZYGCJQDWZNEL-UHFFFAOYSA-N 304.394 2.485 0 40 DEAB C[C@@H]1CCC[C@@H](OC(=O)c2cn(Cc3ccccn3)nn2)C1 76878902 VACAMOXVWIHIJS-TZMCWYRMSA-N 300.362 2.457 0 40 DEAB CC1(C)C=C(CON2C(=O)c3ccccc3C2=O)C(C)(C)N1O 77291725 HOSVHQDZEWIZSP-UHFFFAOYSA-N 316.357 2.403 0 40 DEAB in-vitro O=C(NCCc1ccc(F)cc1)c1cn(-c2ccccc2)nn1 40073491 IIQMYQBHJMCKHB-UHFFFAOYSA-N 310.332 2.379 0 40 DEAB C[C@H]1COCCN1CCN1CCN(c2ccccc2F)C[C@H]1C 192819256 HNHNILZCPDSYKM-CVEARBPZSA-N 321.440 2.057 0 40 DEAB Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(C)n1[C@@H]1CCOC1 528474885 IUYJSFHRMHTVEG-CYBMUJFWSA-N 302.378 2.062 0 40 DEAB COc1ccc(CN(C)C(=O)[C@@H]2CCc3cncn3C2)cc1C 571214170 VPLPQUIEHWUQAC-OAHLLOKOSA-N 313.401 2.421 0 40 DEAB COc1ccc(CCNC(=S)Nc2ncccn2)cc1OC 225176813 VCEUJARDCGVARO-UHFFFAOYSA-N 318.402 2.023 0 40 DEAB CCSc1ccc(Cl)cc1C(=O)N[C@@H]1CC(=O)N(C)C1 84185769 AQSUQQFRHLXWHC-SNVBAGLBSA-N 312.822 2.413 0 40 DEAB O=C(N[C@H]1Cc2ccccc2[C@@H]1O)[C@H](O)c1ccccc1Cl 195547558 WJRLRKICQPUANY-HRCADAONSA-N 317.772 2.148 0 40 DEAB Cn1ncc2ccc(CNC(=O)c3n[nH]c4ccccc34)cc21 576161310 DBSLREJFHGEGQL-UHFFFAOYSA-N 305.341 2.380 0 40 DEAB CN1C[C@@H]2C[C@H]1C(=O)N(Cc1ccccn1)c1ccccc1O2 96111857 JEZPMFJNPPUWGN-HOCLYGCPSA-N 309.369 2.080 0 40 DEAB biogenic,in-vitro C[C@H]1CN(c2ccc(C(=O)NC3CCCC3)nn2)C[C@H](C)S1 96482714 JVWAHZZVSOUDSI-RYUDHWBXSA-N 320.462 2.479 0 40 DEAB Cc1ccc(CNC[C@H]2COCc3c(C)nnn3C2)cc1C 96199375 DEXLXBWFNWCSSM-MRXNPFEDSA-N 300.406 2.140 0 40 DEAB CCCNC(=O)c1cccc(C(=O)N2CCC(COC)CC2)c1 96420822 FVSHDWRRQCUMCV-UHFFFAOYSA-N 318.417 2.325 0 40 DEAB COCc1cnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@H]2C 96109649 QYAZHUCKVRWRLY-JTQLQIEISA-N 316.361 2.112 0 40 DEAB CC12CN3CC(C)(CN(C1)C3c1cnc3ccccc3c1)C2=O 95480155 BTWGZDOUIBFZHA-UHFFFAOYSA-N 307.397 2.460 0 40 DEAB C/C(=C\c1ccccc1Cl)C(=O)N[C@@H](C)CS(C)(=O)=O 95439536 DWKQLVXIJDVBFP-UQSGXBNBSA-N 315.822 2.293 0 40 DEAB CC(C)Oc1ccc(CN2CCOC[C@@H]2C(=O)O)cc1Cl 580287640 WUNOULNDTVGILA-CYBMUJFWSA-N 313.781 2.413 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@H]2c2ccc(F)cc2)cc1 242548643 LQWDJTHPWRVSPY-PMPSAXMXSA-N 305.374 2.401 0 40 DEAB c1cnc(C[C@H]2CC3(CCN(C4CCOCC4)CC3)CO2)cn1 257290445 QCZJRSWGYQQSQQ-KRWDZBQOSA-N 317.433 2.069 0 40 DEAB O=C(c1cc2ccccc2s1)N1C[C@@H](O)[C@H](N2CCCC2)C1 257316825 VHDZCKHRPXBFEB-ZIAGYGMSSA-N 316.426 2.182 0 40 DEAB COc1ccccc1[C@H]1CN(C2CCOCC2)CCN1C(C)=O 257204871 AWQIGKWNHSYBCT-QGZVFWFLSA-N 318.417 2.079 0 40 DEAB CN(C)c1nccnc1C[C@H]1CCCN(C(=O)CC2CC2)C1 257278780 ODQSIHKOZAUBIJ-CQSZACIVSA-N 302.422 2.124 0 40 DEAB Cc1cc(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)on1 252491318 LMBPMGSXGQYQSD-OAHLLOKOSA-N 323.352 2.316 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2CCOc2ccc(F)cc2)n1 257335888 YMHLGXYZXPLUKI-OAHLLOKOSA-N 305.353 2.310 0 40 DEAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCc1ccccc1F 257201008 AFTXTFCCTWGZRL-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB O=S(=O)(c1cccs1)N1CCC(Oc2cccnc2)CC1 85557994 GLFAACSEKPNDTG-UHFFFAOYSA-N 324.427 2.375 0 40 DEAB CC1(C)COC[C@@H]1NC(=O)N1CCOc2cc(F)ccc2C1 624169968 CWFJCYDUGIDFQW-AWEZNQCLSA-N 308.353 2.155 0 40 DEAB Cc1ccc(CN2Cc3ncn(C)c3[C@H](C(=O)N3CCC3)C2)cc1 585110888 UWURSLWODIVNGM-MRXNPFEDSA-N 324.428 2.060 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCCOc1cccc(Cl)c1 47023980 QGURMJLTEGLMON-UHFFFAOYSA-N 307.781 2.499 0 40 DEAB O=c1[nH]nc(SCc2ccc(F)cc2)n1C[C@H]1CCCO1 68905000 FWFWTVPJDKGLDP-GFCCVEGCSA-N 309.366 2.182 0 40 DEAB O=C(NCCc1nc(-c2ccccn2)no1)c1ccsc1 78773793 DMEADMJUVPIUDM-UHFFFAOYSA-N 300.343 2.166 0 40 DEAB O=C(O)c1cnc(NCc2ccccn2)nc1-c1ccncc1 169751176 XLWBFVCRDJGMSO-UHFFFAOYSA-N 307.313 2.244 0 40 DEAB COc1ccc(Cc2noc([C@H](C)n3ccnc3)n2)cc1OC 95394453 LVNNQLKUIBUNRB-NSHDSACASA-N 314.345 2.483 0 40 DEAB CC(C)c1nc2n(n1)C[C@@H](N[C@@H]1COc3ccccc3C1)CC2 556119432 XXJKTJIPZDXSFP-GJZGRUSLSA-N 312.417 2.310 0 40 DEAB OCCN(Cc1ccsc1)c1ncc(Br)cn1 78427967 HKPWSHCNICEATI-UHFFFAOYSA-N 314.208 2.300 0 40 DEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(F)cc(OC)c1 209776195 JSWUXYSZZXSQNC-CYBMUJFWSA-N 308.309 2.025 0 40 DEAB COc1cccc(COC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1OC 5527526 UMVSFPMJKOWIQI-QWHCGFSZSA-N 320.341 2.414 0 40 DEAB Cc1cc(-c2cn[nH]c2C2CCN(C(=O)C3CC3)CC2)on1 12115926 JENTVWNSGLMWAA-UHFFFAOYSA-N 300.362 2.489 0 40 DEAB C[C@H]1NC(=S)N(c2cccc(NC(=O)c3ccco3)c2)C1=O 12755258 VNMFQNLKVBIKPR-SECBINFHSA-N 315.354 2.142 0 40 DEAB C[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 13646226 VVAOCWGSSLOYEU-BETUJISGSA-N 309.373 2.429 0 40 DEAB CC[C@H](C(=O)NC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 13710938 UVZZDCJIEOXAKG-CYBMUJFWSA-N 312.435 2.146 0 40 DEAB CNC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1 4508770 USGNZNXLEAQPQB-FOWTUZBSSA-N 310.353 2.212 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 4197662 ZBZCASVMQIQUTN-RQJABVFESA-N 303.358 2.374 0 40 DEAB O=C1C[C@@H](C(=O)N2CCc3ccccc32)CN1Cc1ccccn1 31273592 RKKYDOWGMXIXMS-OAHLLOKOSA-N 321.380 2.019 0 40 DEAB CCCNC(=O)C1=NO[C@]2(CCCN(Cc3ccccc3)C2)C1 2056225835 CSGCFDYGKMAKKR-GOSISDBHSA-N 315.417 2.324 0 40 DEAB O=C(c1ccc(Cl)c(Cl)c1)N1CC(Cn2ccnn2)C1 1775966505 IDHYOOJKKNHVNQ-UHFFFAOYSA-N 311.172 2.357 0 40 DEAB O=C(Cn1cccc1)NC[C@@H]1CCCN1c1nc2ccccc2o1 206774273 FOFFOHHMJHRLSD-AWEZNQCLSA-N 324.384 2.415 0 40 DEAB CC1CCN(C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 40540486 XSPOSJZDZFUSDA-UHFFFAOYSA-N 302.378 2.480 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)N1CCc2ccccc21 101286355 SAUZXUNTWRNGJU-ZIQGKUQCSA-N 309.365 2.345 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)cn1)C1[C@H]2CCCC[C@H]12 101401270 KVUXHICOQHNUJS-KBPBESRZSA-N 301.390 2.293 0 40 DEAB COc1ccc(CC(=O)Nc2ccc(N(C)C)nc2)cc1OC 21143670 ZNYMPYBGCBTMOJ-UHFFFAOYSA-N 315.373 2.346 0 40 DEAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(O)nn1 32740970 ZJJSEBIZGAMHCU-UHFFFAOYSA-N 300.343 2.064 0 40 DEAB C[C@H]1CN(C(=O)CCNc2ncnc3sccc23)C[C@H](C)O1 52445181 KLMIBMZZULRAAA-QWRGUYRKSA-N 320.418 2.129 0 40 DEAB C[C@H]1CN([C@@H](C)CNC(=O)CCc2ccsc2)C[C@@H](C)O1 32828480 VHPDWXPEZCTJCB-MELADBBJSA-N 310.463 2.295 0 40 DEAB CCc1cccc(CC)c1NC(=O)CSc1cnnc(O)n1 11990615 IKBBMCVUQVMXOX-UHFFFAOYSA-N 318.402 2.433 0 40 DEAB O=C(CN1CCc2cncnc2C1)N1CCC[C@@H]2CCCC[C@@H]21 69493379 QLWRHFIRFQQZQP-YOEHRIQHSA-N 314.433 2.016 0 40 DEAB Cc1ncsc1C(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 46578935 VTQHMYLEKGDRMB-QMMMGPOBSA-N 317.370 2.273 0 40 DEAB Cc1noc(CCCC(=O)Nc2ccc3c(c2)CCC(=O)N3)n1 76942035 LKMLCMJUQQBSBF-UHFFFAOYSA-N 314.345 2.224 0 40 DEAB O=C1OCCN1CCN1CCC(c2nc3ccccc3[nH]2)CC1 78922718 JXFORNBUZUYNMS-UHFFFAOYSA-N 314.389 2.195 0 40 DEAB CCO[C@H](C)c1noc(CN(C)C(=O)c2cccnc2Cl)n1 78933323 PLRAVYGDSMLURP-SECBINFHSA-N 324.768 2.488 0 40 DEAB CC(C)[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(C)C 79092736 SKRZWEUZJPKFHG-INIZCTEOSA-N 307.413 2.061 0 40 DEAB NC(=O)c1ccc(NC(=O)CSC(=O)c2ccccc2)cc1 3255207 NZKHLTUDNWTASG-UHFFFAOYSA-N 314.366 2.298 0 40 DEAB C[C@@H]1CN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C[C@@H](C)O1 21821966 WSBSNYYRXSTKLR-NXEZZACHSA-N 319.430 2.083 0 40 DEAB O=C(Nc1cccc2ccccc12)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 3851291 SEAHFCIVWJGXHU-QXSJWSMHSA-N 309.321 2.433 0 40 DEAB C[C@@H]1C[C@@H](OCCOCCOS(=O)(=O)O)CC(C)(C)C1 4691848 KBFYJZOAKXESLS-VXGBXAGGSA-N 310.412 2.054 0 40 DEAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1sccc1C(N)=O 7587778 VBCRKFYJKKULET-SNVBAGLBSA-N 315.398 2.237 0 40 DEAB CCn1nnnc1NC(=O)c1cc(Cl)cc(Cl)c1OC 565679 QUPGUECULSKTIV-UHFFFAOYSA-N 316.148 2.261 0 40 DEAB C[C@@H]1Oc2ccc(NC(=O)NCc3ccccn3)cc2NC1=O 53249363 GIRFNSSOAIOMFL-JTQLQIEISA-N 312.329 2.123 0 40 DEAB COCCn1cc(C(=O)NC[C@H](C)c2ccccc2)ccc1=O 47245227 IBTZPCWYWMNIRW-AWEZNQCLSA-N 314.385 2.028 0 40 DEAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c(O)c1 9058171 NRHRXWYBKGKJOV-UHFFFAOYSA-N 314.293 2.469 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1C 24030030 NGEQMYDSQNKWEK-UHFFFAOYSA-N 307.394 2.026 0 40 DEAB CC(C)(C)c1n[nH]cc1CNC[C@H](O)COc1ccccc1 97159270 PIGGHOUZTAHMRB-AWEZNQCLSA-N 303.406 2.237 0 40 DEAB Cn1cc(/C=C/C(=O)NCCOc2ccc(Cl)cc2)cn1 24651538 OXHQCSSDAQQALI-FARCUNLSSA-N 305.765 2.282 0 40 DEAB Cc1n[nH]c(S/C(=C/c2ccc(C(=O)O)cc2)C(=O)O)n1 1269963 MHPOHFGFNHUORR-UXBLZVDNSA-N 305.315 2.029 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)CCC(=O)c1ccc(F)cc1 24723556 XQBFZQBGJOYMOM-CQSZACIVSA-N 323.364 2.493 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@]3(CN(c4cccc5ccccc45)C(=O)[C@@H]13)O2 100634868 QPIMZZREQHWMAF-YIOZNXECSA-N 321.332 2.211 0 40 DEAB O=S(=O)(CCCS(=O)(=O)c1ccccc1)c1ccccc1 1396696 QURGPHCWOBAAOD-UHFFFAOYSA-N 324.423 2.324 0 40 DEAB COc1cc(CNC(=O)NCCOc2cccc(C)c2)ccn1 12545750 VJSYSAWYXMJQDF-UHFFFAOYSA-N 315.373 2.277 0 40 DEAB CCc1ccc(C(=O)NCc2ccccc2Cn2cncn2)o1 25128516 HRLIYQGHCRIRTN-UHFFFAOYSA-N 310.357 2.412 0 40 DEAB C[C@H](O)CN1CCN(Cc2ccc(F)c3cccnc23)C[C@@H]1C 106840942 BZKVNKBTUICIPW-KBPBESRZSA-N 317.408 2.261 0 40 DEAB O=Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 3254654 HTGXRKMCSRPDKO-UHFFFAOYSA-N 309.321 2.245 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@H](c1ccsc1)N(C)C 25330611 NMHYOKISYUJPPB-AWEZNQCLSA-N 307.419 2.315 0 40 DEAB C[C@@H](NC(=O)NC[C@@H]1COc2ccccc2O1)c1ccccn1 26186092 KCLIMHHDWFYFRQ-CHWSQXEVSA-N 313.357 2.282 0 40 DEAB O=C(NCC1CCC1)c1cccc(CN2C(=O)CSC2=O)c1 26144438 KDXKHGKRDKHAGI-UHFFFAOYSA-N 318.398 2.412 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCCCNC2=O)c2ccc(F)cc2n1 56977291 NLNBDGIEAQQUPV-AWEZNQCLSA-N 315.348 2.081 0 40 DEAB O=C(c1ccoc1)N1CCN(Cn2cnc3ccccc32)CC1 57087347 DZQKAZDRNZTXIC-UHFFFAOYSA-N 310.357 2.045 0 40 DEAB COC1(CNC(=O)N2C[C@H](C)[C@@H]3CCCC[C@@H]32)CCOCC1 108496046 KXFOWNVLUJOBQX-KKUMJFAQSA-N 310.438 2.402 0 40 DEAB CN(CCOc1ccccc1F)Cc1ccc(C(N)=O)cc1 27374016 HEOSOAJYKSMWCE-UHFFFAOYSA-N 302.349 2.435 0 40 DEAB Cc1ccsc1C(=O)OCC(=O)NC(=O)NCCC(C)C 3384148 QZYHFQPVOKKAJK-UHFFFAOYSA-N 312.391 2.085 0 40 DEAB COCc1ccccc1C(=O)NCCNC(=O)OC(C)(C)C 58289707 IFMCKYGVHMIXHO-UHFFFAOYSA-N 308.378 2.088 0 40 DEAB CCN(C(=O)CSc1nnc(N)s1)C1CCCCC1 3310753 SRGIVMJUARSMDQ-UHFFFAOYSA-N 300.453 2.394 0 40 DEAB Cc1cc(C)nc(SCC(=O)NC[C@H]2CCN(C(C)C)C2)n1 58393605 UUNVUAFTUZVAGQ-CQSZACIVSA-N 322.478 2.032 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1ccc2c(c1)OCO2 58407389 MFDBYRZVMVYOFL-LLVKDONJSA-N 316.405 2.374 0 40 DEAB CC(C)c1ccc(CCCNC(=O)N2CCNC(=O)[C@H]2C)cc1 117056382 RFMMMDTUJBVOTE-CQSZACIVSA-N 317.433 2.273 0 40 DEAB CN(C)C(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 12756496 QLPWLRMCKJOADY-UHFFFAOYSA-N 314.360 2.386 0 40 DEAB COc1ncccc1CNC(=O)NCc1cc(F)ccc1F 69596886 JSJIIERDTPKAOW-UHFFFAOYSA-N 307.300 2.368 0 40 DEAB NC(=O)CC1CCN(C(=O)C2(c3ccc(F)cc3)CCC2)CC1 49396106 WSHRIDUNEWZRSA-UHFFFAOYSA-N 318.392 2.361 0 40 DEAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(C)CC2)nc1 4072864 GMDOCSOSEKSTBI-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 65590543 XFLQSJANBGLZBP-UHFFFAOYSA-N 324.380 2.363 0 40 DEAB O=C(NCCO)Nc1ccc(-n2nccc2C(F)(F)F)cc1 65579005 IRDRQULVROXULB-UHFFFAOYSA-N 314.267 2.005 0 40 DEAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccncc3)o2)C1 14159801 XMBLURXXFPHLIS-NSHDSACASA-N 318.402 2.482 0 40 DEAB COc1ccnc(N2CCC[C@H](C(=O)Nc3ccccc3)C2)n1 14166598 QBKMDXNXXSPEHA-ZDUSSCGKSA-N 312.373 2.340 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2cccc(OC)c2)c1 5470947 YQMKPMBBEHUTLA-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB CCOC(=O)c1ccsc1NC(=O)CSc1cccnn1 96004655 AWMWSUHMNUEWOP-UHFFFAOYSA-N 323.399 2.446 0 40 DEAB CNC(=O)c1ccccc1NC(=O)CC1(CC(=O)O)CCCC1 6847383 PCLRIYFCNGBSLV-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB COC(=O)CCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 7205066 RYKWTJXZJCMWFL-UHFFFAOYSA-N 302.113 2.153 0 40 DEAB Cc1cc(CN(CCn2cccn2)Cc2cc(C)on2)no1 70038669 VWVBYHYBCHPVKZ-UHFFFAOYSA-N 301.350 2.178 0 40 DEAB Cc1ccc2[nH]c(=O)c(CN(CC(C)C)S(C)(=O)=O)cc2c1 9452056 SWMPXKADIZAULN-UHFFFAOYSA-N 322.430 2.254 0 40 DEAB CC1(C)CN(CC(F)(F)F)CCN1CC(=O)NC1CCCC1 96492529 CQRPUULCRDUNHI-UHFFFAOYSA-N 321.387 2.004 0 40 DEAB Cc1cc(C(=O)N2CCN(CC3(O)CCCCC3)CC2)c(C)o1 71825116 DXAHBKFSVZGAQC-UHFFFAOYSA-N 320.433 2.349 0 40 DEAB CC(C)[S@@](=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 71921252 DXWDSKKQIXNGHQ-QOKQMOMRSA-N 309.431 2.500 0 40 DEAB CCOCCCNS(=O)(=O)c1cc(Cl)ccc1OCC 72414588 UJLZBUYXYBXKGG-UHFFFAOYSA-N 321.826 2.444 0 40 DEAB COc1ccccc1CNC(=O)CNC(C)(C)c1nccs1 72662800 DFFZVZSTKYOCTA-UHFFFAOYSA-N 319.430 2.293 0 40 DEAB O=c1c2ccncc2ncn1C[C@@H](O)c1cccc(Cl)c1 97080143 IONKRHCZOSWJEG-CQSZACIVSA-N 301.733 2.179 0 40 DEAB C[C@H]1CCN(C(=O)c2ccc(O)cc2O)C[C@@H]1n1ccnc1 97059791 RMIGOHKHFOKPKX-FZMZJTMJSA-N 301.346 2.018 0 40 DEAB Cc1c(C(=O)N2CCc3nnc(N)cc3C2)oc2ccccc12 72279455 LUCBIVFEDLIDHX-UHFFFAOYSA-N 308.341 2.312 0 40 DEAB O=C(CCCc1ccccn1)NCc1nc(-c2ccccn2)no1 95396522 YIIRPXFGUAUDPO-UHFFFAOYSA-N 323.356 2.166 0 40 DEAB CCn1cc(C(=O)O[C@H](Cn2cncn2)c2ccccc2)cn1 95397264 RPZBHONHLYGLFQ-OAHLLOKOSA-N 311.345 2.093 0 40 DEAB COc1csc(C(=O)NCCNC(=O)c2cccc(C)c2)c1 95405987 UNBUXVFDVXMXQV-UHFFFAOYSA-N 318.398 2.225 0 40 DEAB COc1ccnc(C(=O)NC2=NN(Cc3ccccc3)[C@@H](C)C2)c1 95465482 PPOVWVYTIMIUHS-ZDUSSCGKSA-N 324.384 2.428 0 40 DEAB O=C(N[C@@H]1C=C[C@H](CO)C1)N(Cc1ccccc1)CC(F)F 95413586 MLGCCZAFWCGSJK-UONOGXRCSA-N 310.344 2.400 0 40 DEAB COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cnn(CC(C)C)c1C 95980936 JVUVDYXCHGJMFN-DZGCQCFKSA-N 321.421 2.309 0 40 DEAB C[C@@H]1CN(C(=O)COc2ccc(-c3ccccc3)nc2)CCO1 95993942 UBNVZPNCKOYHQB-CQSZACIVSA-N 312.369 2.375 0 40 DEAB CN(C)C[C@@H](NC(=O)Cn1ncc2ccccc21)c1ccccc1 89314192 YBZXRGONZBKONS-QGZVFWFLSA-N 322.412 2.455 0 40 DEAB COC(=O)[C@@H](C)[C@H](NC(=O)Nc1cn[nH]c1)c1ccccc1 75106675 CQOBFZYPHCDIDG-GWCFXTLKSA-N 302.334 2.082 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NC[C@@](C)(O)c2ccco2)C1 89661878 RTYQEGOOHRHHTM-BLLLJJGKSA-N 310.394 2.086 0 40 DEAB Cc1cccnc1CNC(=O)Nc1ccccc1Cn1cncn1 89700561 FPMNDYVFQGJWTO-UHFFFAOYSA-N 322.372 2.352 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CCC(O)(C(F)(F)F)CC1 89949983 OWGICARKAIPVBE-UHFFFAOYSA-N 323.261 2.423 0 40 DEAB CC[C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@H]1N(C)C 89948571 CYZQQBPYDKVIDE-UKRRQHHQSA-N 304.438 2.321 0 40 DEAB C[C@@H]1CC[C@@H]2C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408653810 PYVDBCCYEUJXGR-ICCXJUOJSA-N 320.776 2.406 0 40 DEAB CO[C@@]1(C)C[C@H](NC(=O)c2cnc(C3CCNCC3)o2)C1(C)C 1548548584 WWOWSOYCQVSHOH-GUYCJALGSA-N 321.421 2.075 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)[nH]n1 74630054 BQBAVLDVYMOVQT-UHFFFAOYSA-N 308.297 2.453 0 40 DEAB NC(=O)C1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 32819394 BITYMVJURWXZBN-UHFFFAOYSA-N 315.398 2.148 0 40 DEAB C[C@H]1C[C@H](N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 78394018 GQRZYASNEOWHBY-AVGNSLFASA-N 312.410 2.022 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)CC1 33526442 YFJXJPMQFHEZTK-IXDOHACOSA-N 312.498 2.216 0 40 DEAB Cc1nccn1C[C@@H](C)CNC(=O)c1nc2c(s1)CCC2 561074333 DKRGIFLQBKAAPD-JTQLQIEISA-N 304.419 2.203 0 40 DEAB CCOC(=O)c1cc(-n2cccc2)ccc1N1CCOCC1 226245770 LPSZFMOSMJWFLX-UHFFFAOYSA-N 300.358 2.491 0 40 DEAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC2CC2)n1 226004235 DMZZDDVOIJBJOS-SNVBAGLBSA-N 305.451 2.470 0 40 DEAB Cc1ccc(-c2nnsc2C(=O)NC[C@H]2CCCO2)cc1 225773293 ATVNDWJSDFHHTI-GFCCVEGCSA-N 303.387 2.422 0 40 DEAB CC(C)Cc1noc(C2CCN(C(=O)[C@H]3CCCO3)CC2)n1 40714387 PVZBUNOPZQCYAN-CYBMUJFWSA-N 307.394 2.153 0 40 DEAB O=C(c1ccno1)N1CC(c2nc(-c3ccsc3)no2)C1 75156502 UGOBFLYLAACGFS-UHFFFAOYSA-N 302.315 2.026 0 40 DEAB CCCCC(=O)Nc1ccc(N2C[C@@H](C(=O)OC)CC2=O)cc1 45953864 NGXVKMUMDZNKGP-LBPRGKRZSA-N 318.373 2.341 0 40 DEAB O=C(CNC1CC1)N1CCC[C@@H](Oc2ccccc2Cl)C1 195554754 ADEVASUFOJBOFW-CYBMUJFWSA-N 308.809 2.462 0 40 DEAB C[C@H](Oc1ccccn1)C(=O)N1CCC2(CCC(O)CC2)CC1 571393998 BSWIMPBRLODHJD-AWEZNQCLSA-N 318.417 2.393 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCN(Cc2ccccc2)CC1 47339770 QMGVDZWYNKWNIQ-UHFFFAOYSA-N 313.401 2.178 0 40 DEAB O=C(Cc1ccccc1F)N1CCC[C@@H](Oc2cnccn2)C1 225472933 JYBFNOYLYQTJFB-CQSZACIVSA-N 315.348 2.228 0 40 DEAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccccc1 96068787 SSGCQMJYCQTKDF-QGZVFWFLSA-N 312.417 2.434 0 40 DEAB Cc1ccc2nc3n(c2c1)[C@@H](CNC1CCN(C)CC1)COC3 96112828 ONVGVCKUVQPAAW-HNNXBMFYSA-N 314.433 2.100 0 40 DEAB biogenic,in-vitro COC[C@@H]1C(=O)NCC12CCN(Cc1sccc1C)CC2 96206167 KPCBSLGWCALPBE-CYBMUJFWSA-N 308.447 2.031 0 40 DEAB O=C([C@@H]1CCOc2ccccc21)N1CCNC[C@@H]1c1ccncc1 333319329 UDXPOQWSIHGERI-IAGOWNOFSA-N 323.396 2.121 0 40 DEAB CC(C)NC(=O)[C@H]1CCC2(CCN(c3nncs3)CC2)C1 96100166 OVXBRPIBLVDYCX-LBPRGKRZSA-N 308.451 2.449 0 40 DEAB CCS(=O)(=O)[C@H](CO)[C@H](N)c1ccc(-c2ccccc2)cc1 96525186 ZFXTZRAISOKMKA-IAGOWNOFSA-N 319.426 2.149 0 40 DEAB Cc1[nH]c2c(C(=O)OC[C@H]3CCCN3C(N)=O)cccc2c1C 96442210 MELXDGDEYAHEGC-GFCCVEGCSA-N 315.373 2.485 0 40 DEAB c1cnc(NC[C@@H]2CO[C@@]3(CCCN(CC4CC4)C3)C2)nc1 96075798 SESLLRUXPFAIIQ-WBVHZDCISA-N 302.422 2.170 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108721 DAEDUIWXSZWMPP-GDBMZVCRSA-N 307.415 2.263 0 40 DEAB CN1CCC(n2nc([C@H]3CCOC3)nc2-c2cc[nH]c2)CC1 97547535 KMSMODGUBMUXAY-ZDUSSCGKSA-N 301.394 2.044 0 40 DEAB c1ccc(CN2CCC[C@@]3(CCN([C@@H]4CCOC4)C3)C2)nc1 96062970 JZBYUBQNIKTYPJ-QZTJIDSGSA-N 301.434 2.158 0 40 DEAB CC1(C)C[C@H](NCc2cccnc2N2CCOCC2)C(C)(C)O1 96476568 WNVJWXRLWMJNGV-HNNXBMFYSA-N 319.449 2.354 0 40 DEAB Cc1ncnc2c1CCN(C(=O)NCc1cccc(F)c1)CC2 96254981 IUKDWPVNZFQCEP-UHFFFAOYSA-N 314.364 2.235 0 40 DEAB O=C([C@@H]1CN(Cc2cccs2)C[C@H]2OCC[C@H]21)N1CCCC1 96038861 SCABSYODHHFRMH-ARFHVFGLSA-N 320.458 2.207 0 40 DEAB Cc1nc2sccc2c(=O)n1CCNC(=O)[C@@H]1CC=CCC1 253472970 QUQMVGPVXAVXCA-GFCCVEGCSA-N 317.414 2.239 0 40 DEAB c1ncn2c1CN(CC1CCOCC1)C[C@H]2CN1CCCCC1 253477671 GZJFUPXZGBLLOB-GOSISDBHSA-N 318.465 2.152 0 40 DEAB O=C(/C=C/c1ccco1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104327 LHYHEZYYERBJGF-CMDGGOBGSA-N 323.414 2.251 0 40 DEAB O=C(COc1ccccc1Cl)N1CC[C@]2(CCCO2)C(=O)C1 585288687 HNEDPBTVMILECD-MRXNPFEDSA-N 323.776 2.069 0 40 DEAB COC[C@@]1(CC(N)=O)CCCN1Cc1ccc2ncccc2c1 585276585 BMZYQIPYZMWTBJ-SFHVURJKSA-N 313.401 2.091 0 40 DEAB Cc1cnn(CCC(=O)NC2CCN(CC3CCCC3)CC2)c1 63271955 WBTWOFCFPXSGEI-UHFFFAOYSA-N 318.465 2.352 0 40 DEAB CCn1c(C)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 558875660 VRTCYTBMIFBBJE-CYBMUJFWSA-N 305.382 2.007 0 40 DEAB Cc1ccccc1CN1CCN(c2nccc(N(C)C)n2)CC1 760980041 KBQZSBXMVRGZJK-UHFFFAOYSA-N 311.433 2.173 0 40 DEAB CCc1cccc2c(C(=O)COC(=O)c3nccnc3N)c[nH]c12 5040450 PLNXXZNKWGAVBE-UHFFFAOYSA-N 324.340 2.142 0 40 DEAB O=C1NCCOc2ccccc2CCCCC12CCNCC2 643275717 CAWPQQYGSWZHCB-UHFFFAOYSA-N 302.418 2.278 0 40 DEAB CN(C)C(=O)[C@H]1CCCN1Cc1csc(-c2ccco2)n1 25313547 BIRBRUQXYRLJQJ-GFCCVEGCSA-N 305.403 2.456 0 40 DEAB CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(C(F)(F)F)cc1 33002195 QDPGJFZGAUDTMR-JTQLQIEISA-N 303.284 2.337 0 40 DEAB Cc1cc([C@H](O)CCNc2ncnc3c2ncn3C)c(C)o1 1776001389 QDKGZNRUMXUNTB-GFCCVEGCSA-N 301.350 2.109 0 40 DEAB CN(C)C(=O)C1(n2ccnc2)CCN(Cc2cccs2)CC1 2055704370 YFDLMWBHBBWWNO-UHFFFAOYSA-N 318.446 2.024 0 40 DEAB O=C(CC1CCCC1)N1CCC(Cn2cnccc2=O)CC1 585636904 BELZVRGVDFSXDY-UHFFFAOYSA-N 303.406 2.062 0 40 DEAB Nc1[nH]n(-c2ccccc2)c(=O)c1[C@H](O)c1ccc(Cl)cc1 102411286 DZOTWVLWVFPSIY-CQSZACIVSA-N 315.760 2.483 0 40 DEAB CC(=O)[C@@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 148679 KBIHTQAPONLKSA-SECBINFHSA-N 322.386 2.482 0 40 DEAB CCOC(=O)C1CCN(CCOc2ccc(OC)cc2)CC1 40460791 UWJCIFOFPXNEFN-UHFFFAOYSA-N 307.390 2.349 0 40 DEAB Nc1nc(Cl)cc(NC2CCN(C(=O)c3ccoc3)CC2)n1 40497801 RYAKYPMHRHKDTH-UHFFFAOYSA-N 321.768 2.022 0 40 DEAB CCc1nn2c(=O)cc(CN(C3CC3)[C@H](C)C3CC3)nc2s1 40540543 YNFQVIZKXXOUIF-SNVBAGLBSA-N 318.446 2.476 0 40 DEAB Cc1ccc2ncn(CC(=O)N(C)C3CCCCC3)c(=O)c2c1 40538885 OVAVXGSFUABOLF-UHFFFAOYSA-N 313.401 2.496 0 40 DEAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)c1cccc(F)c1)C2=O 51256810 JRKPRYGIEURSNU-WKXXDYOBSA-N 320.364 2.360 0 40 DEAB CC(C)COCCC(=O)NCc1cccc(N2CCCC2=O)c1 32312837 YPEFXDDOINGPGA-UHFFFAOYSA-N 318.417 2.492 0 40 DEAB CCc1nnc2n1CCN(C(=O)c1ccc(-n3cccc3)cc1)C2 69652104 YFKLDIPTUFUVPT-UHFFFAOYSA-N 321.384 2.287 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)NC2CCCCCC2)ccc1C 482231 QRSGBSFKCJQWJO-UHFFFAOYSA-N 324.446 2.356 0 40 DEAB Cc1ccc(CO)cc1NS(=O)(=O)c1cnn(C(C)C)c1 76082275 KXFNOMUVJIBUFR-UHFFFAOYSA-N 309.391 2.066 0 40 DEAB CCO[C@@H](C)c1noc(CN(C)C(=O)c2cccnc2Cl)n1 78933318 PLRAVYGDSMLURP-VIFPVBQESA-N 324.768 2.488 0 40 DEAB O=C(O)[C@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 2552648 CVUMUGYSSLNOMH-OAHLLOKOSA-N 319.382 2.468 0 40 DEAB Cc1occc1C(=O)N1CCN(C(=O)c2ccoc2C)CC1 2767578 GAVBFFCLTOMXMG-UHFFFAOYSA-N 302.330 2.088 0 40 DEAB COc1cc(-c2ccccc2)sc1C(=O)NCCCC(N)=O 53055326 JOYZKSWNGGCNKF-UHFFFAOYSA-N 318.398 2.419 0 40 DEAB CN1CCN(NC(=O)/C=C/c2c(Cl)cccc2Cl)CC1 2734075 WRFPLPFNIQOADV-AATRIKPKSA-N 314.216 2.285 0 40 DEAB C[C@@H](NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1)c1ccco1 22544405 XDYHKXBASQCONC-KOLCDFICSA-N 322.390 2.219 0 40 DEAB COC(=O)CCn1c(=O)cc(C(F)F)c2cn(C(C)C)nc21 12397933 JLSPYFAKRJXBIB-UHFFFAOYSA-N 313.304 2.280 0 40 DEAB C[C@@H](CNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 23081296 UQQJEIPJMLGWBI-AWEZNQCLSA-N 321.380 2.316 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)Nc2ccon2)[C@H]1c1ccccc1F 57355142 DSJGMNXARNEDTH-IAQYHMDHSA-N 317.320 2.362 0 40 DEAB CCCc1nc(CN2CCNC(=O)C[C@@H]2c2ccccc2)no1 54990576 QKCXGUKTYDOVBY-CQSZACIVSA-N 314.389 2.085 0 40 DEAB CSc1nc2n(n1)[C@H](c1ccccc1F)C=C(C(=O)O)N2 102334256 YZKDJGSGDXFESW-JTQLQIEISA-N 306.322 2.123 0 40 DEAB COc1ccccc1NC(=O)C(=O)Nc1ccccc1OC 3045453 GPOWVQMIFHWEGC-UHFFFAOYSA-N 300.314 2.281 0 40 DEAB in-vitro NC(=O)C1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)CC1 56909786 BALRTPZTJKIGLD-CQSZACIVSA-N 321.808 2.234 0 40 DEAB CC[C@@H](COc1ccccc1)NC(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108105762 FBOOYJXMEFHANC-DRPJVOAASA-N 304.390 2.463 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H]1C[C@H](O)c1ccco1 108106272 XBXFOBLWDFLHNI-ARILJUKYSA-N 320.389 2.197 0 40 DEAB CC(C)C[C@@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1 3290501 SDGZURWWSWFMPL-CYBMUJFWSA-N 311.813 2.082 0 40 DEAB NC(=O)CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 57815785 XYPBBTBFQXQGCZ-HNNXBMFYSA-N 306.312 2.452 0 40 DEAB C[C@H](CO)[C@@H](C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 97370341 YXHHMUOMEABXBE-NXEZZACHSA-N 312.776 2.166 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)NC[C@H]3CCCO3)c12 27396821 IKSKCNYWRYYIAT-LLVKDONJSA-N 301.346 2.317 0 40 DEAB O=C(CNC(=O)c1ccco1)Nc1ccccc1Br 10029560 CFPNKZYZARSNIX-UHFFFAOYSA-N 323.146 2.411 0 40 DEAB CCCCN(CC(N)=O)Cc1nc(-c2cccc(C)c2)no1 48048544 AVYMSRWTFUENEQ-UHFFFAOYSA-N 302.378 2.132 0 40 DEAB CCN(CC)C(=O)N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 44917133 HWGXYOHLFFZVQM-ZDUSSCGKSA-N 323.441 2.333 0 40 DEAB CN(Cc1cc(Br)cs1)C(=O)Cn1cccn1 44952821 OIHCNVCJCVSJAE-UHFFFAOYSA-N 314.208 2.366 0 40 DEAB C[C@H](NC(=O)Cc1cc(Cl)ccc1Cl)C(=O)N(C)C 58355520 GWEPEHCVHVIDLM-QMMMGPOBSA-N 303.189 2.129 0 40 DEAB COc1c(CNC[C@]2(N(C)C)CCC[C@@H](C)C2)c(C)nn1C 58313356 BDXVLYXAQBVOOV-DYVFJYSZSA-N 308.470 2.337 0 40 DEAB CCOC(=O)CN(C(=O)c1ccn(-c2ccccc2)n1)C(C)C 58407343 KBUYHIAYQMAIDD-UHFFFAOYSA-N 315.373 2.286 0 40 DEAB COc1ncccc1NC(=O)NC[C@@H](C)Cn1nc(C)cc1C 48230682 SEOAFFSWVXKGQQ-LLVKDONJSA-N 317.393 2.361 0 40 DEAB C[C@@H]1C[C@@H](OC(=O)C2=Cc3cc(Cl)ccc3OC2)C(=O)O1 36396501 OWBFIQPKNYIVEH-AMIZOPFISA-N 308.717 2.363 0 40 DEAB Cc1ccnc2nc(C(=O)N[C@H]3CCCc4ccccc43)nn12 3382598 GYMKDBPAFLRVNR-AWEZNQCLSA-N 307.357 2.240 0 40 DEAB Cc1nc(SCc2nc(C(C)C)no2)sc1CC(N)=O 29144972 INSSIXVZCCZGBW-UHFFFAOYSA-N 312.420 2.278 0 40 DEAB FC(F)(F)Oc1ccc(CNc2ccc3nnnn3n2)cc1 12773110 CAGACDXJRQMKMK-UHFFFAOYSA-N 310.239 2.030 0 40 DEAB CC(C)Cn1nnnc1SCC(=O)NC1CCCCCC1 12862088 LWHMQHTYBPKEOC-UHFFFAOYSA-N 311.455 2.260 0 40 DEAB C[C@H](Sc1ccccc1C(=O)O)C(=O)NC(=O)NC(C)(C)C 12812008 LXFDFTWPPIKZTF-VIFPVBQESA-N 324.402 2.490 0 40 DEAB O=C(NCc1cccnc1)c1cn(-c2cccc(Cl)c2)nn1 13355672 XAIFRXUGCZKSEG-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1 6173442 WRXZOXDYBCXJCY-UHFFFAOYSA-N 307.400 2.183 0 40 DEAB COC[C@@H](C)NC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 65428143 ZELIVJDKFSSAGD-TZMCWYRMSA-N 320.389 2.339 0 40 DEAB CNC(=O)c1cnc(/C=C/c2cc(OC)c(O)c(OC)c2)s1 65593523 TZWRKMXXOXBFOR-SNAWJCMRSA-N 320.370 2.396 0 40 DEAB COc1ccc(CNC(=O)CCC(=O)N2CCCCC2)cc1 4550794 ODKNLTHNKIHFHM-UHFFFAOYSA-N 304.390 2.104 0 40 DEAB CCOC(=O)N1CCC(C(=O)NCCOc2ccccc2)CC1 9457275 JKAYXPAPXYTNCR-UHFFFAOYSA-N 320.389 2.050 0 40 DEAB Cc1csc(=O)n1CCC(=O)N[C@@H]1CCc2ccccc21 14374281 LZMKRAPVIFPELD-CQSZACIVSA-N 302.399 2.412 0 40 DEAB CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C=O)cc2)CC1 66604646 HSIDMEQNKVGNOZ-UHFFFAOYSA-N 318.373 2.192 0 40 DEAB CN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2C1=O 15011577 IXEZMDPMULEJKK-UHFFFAOYSA-N 316.263 2.443 0 40 DEAB Cc1ccc(C(=O)COC(=O)CNC(=O)C2CCCCC2)s1 7313608 RCAWRBXFLWCVDS-UHFFFAOYSA-N 323.414 2.479 0 40 DEAB CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@@H](CO)C1 16124768 IWAWSJXEVHALDS-GFCCVEGCSA-N 303.399 2.148 0 40 DEAB COc1cccc(C(=O)OCC(=O)NCc2ccccc2C)c1 7897050 PLLOSSIIMDGARP-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB Cc1n[nH]c(SCC(=O)N2CCc3cc(F)ccc3[C@@H]2C)n1 81432350 LDSLPUHYWUSLCU-VIFPVBQESA-N 320.393 2.490 0 40 DEAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)on2)cc1F 8176813 DXHAFZQBJJVLPC-VIFPVBQESA-N 322.292 2.315 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)no1 87500093 NBXUDQPZWGTPOX-SNVBAGLBSA-N 307.300 2.270 0 40 DEAB Fc1ccc(N2CC[C@H](CNC(=S)NC3CC3)C2)cc1F 70003824 HVTMTRNJABIKBV-SNVBAGLBSA-N 311.401 2.418 0 40 DEAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2cccnc2)n1C 8328242 PWXZKTQCSVUXAY-LLVKDONJSA-N 319.434 2.130 0 40 DEAB O=C(NCc1ccc(Cl)nc1)c1[nH]ncc1Br 71897912 POAUAGPLWVICLA-UHFFFAOYSA-N 315.558 2.151 0 40 DEAB CNC(=O)Cc1noc(CS[C@H](C)c2cccc(F)c2)n1 95408387 AXZVUCHOFMUHCK-SECBINFHSA-N 309.366 2.492 0 40 DEAB CC(C)CC[C@@H](NC(=O)CCN1C(=O)CCC1=O)C(C)(C)C 71908743 KQMHAXYQUWRZDL-CYBMUJFWSA-N 310.438 2.493 0 40 DEAB O=C(C[C@H]1CCCCO1)N1CCCN(c2nccs2)CC1 87192732 ZLBUDJVYOMHEHU-CYBMUJFWSA-N 309.435 2.141 0 40 DEAB COc1ccc(C(=O)N(C)c2ccc(C)cc2)cc1-n1cnnn1 97081240 BAUGIOGHJMOBCH-UHFFFAOYSA-N 323.356 2.256 0 40 DEAB CC(C)Cc1nc(C(=O)N[C@H]2CCc3nccn3C2)cs1 72278742 MOHXZLWUUDGPBS-NSHDSACASA-N 304.419 2.283 0 40 DEAB CCOc1cc(Sc2nnc(N3CCCC3)s2)ncn1 95945038 VOWJRPJWVAVICE-UHFFFAOYSA-N 309.420 2.478 0 40 DEAB N[C@@H](Cc1ccccc1)C(=O)N1CCc2c(F)ccc(F)c2C1 95971172 RUKUZHBSAQEXLX-KRWDZBQOSA-N 316.351 2.420 0 40 DEAB COCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 14099336 IJCRYNAEUCOJNY-UHFFFAOYSA-N 317.716 2.284 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1cc(-c2ccccc2F)on1 89938405 BNBNPJZNXNGCIN-NSHDSACASA-N 303.337 2.257 0 40 DEAB CN(C)C(=O)N1CCN(c2ccnc3cc(F)ccc23)CC1 75611413 KAOWWGYHKTXTKM-UHFFFAOYSA-N 302.353 2.178 0 40 DEAB CCn1nc(C)c2c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc(C)nc21 28222268 OCFWXQKFASQWGJ-TXEJJXNPSA-N 316.405 2.317 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2cnn(C)c2-n2cccc2)cc1 30805378 ZRXIWKXEQASGRD-UHFFFAOYSA-N 323.356 2.422 0 40 DEAB O=c1c2c(ncn1CC1CC1)CN(c1cccc(F)c1)CCO2 306136979 QIESCOWTSUHIRT-UHFFFAOYSA-N 315.348 2.191 0 40 DEAB CCCc1nc(=NC(=O)Nc2cccc(CC(=O)O)c2)s[nH]1 515809359 IOPKSYWUTXIXMD-UHFFFAOYSA-N 320.374 2.184 0 40 DEAB CCOc1ccccc1Nc1nc2c(C)nn(C)c2c(=O)n1C 32651477 NMIZMJQLCLCRSU-UHFFFAOYSA-N 313.361 2.118 0 40 DEAB CN(C)c1cccc(C(=O)NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)c1 408491736 BLQIOAILSFJPBN-TYNCELHUSA-N 322.430 2.001 0 40 DEAB COC(=O)[C@@]1(C)C(=O)C[C@H]2CC[C@@H]1N2Cc1ccc(F)cc1 72340184 GINHXZURABBCQZ-JKIFEVAISA-N 305.349 2.311 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N2CCOc3ccccc32)c1 30581772 XCGYAGMCMFNIHI-UHFFFAOYSA-N 317.366 2.477 0 40 DEAB COc1ccccc1[C@@H](NC(=O)c1ccncc1)c1noc(C)n1 70982456 QBOOTBPTDPNINM-OAHLLOKOSA-N 324.340 2.301 0 40 DEAB COc1cc(C)c(C(=O)N2CCC(C(N)=O)CC2)cc1C(C)C 74948346 BLKRGYWXQUEGGG-UHFFFAOYSA-N 318.417 2.465 0 40 DEAB Cc1cc([C@@H](C)NS(=O)(=O)CCN2CCCC2)c(C)s1 189789305 NUXSUGRVIZXBLO-GFCCVEGCSA-N 316.492 2.441 0 40 DEAB O=S1(=O)CCc2[nH]c3ccc(Br)cc3c2C1 83729000 PVKJSUSJGRMGBH-UHFFFAOYSA-N 300.177 2.401 0 40 DEAB C[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)[C@@H]1CCOC1 195550899 GPHBZYJKEWDBCF-UAGQMJEPSA-N 318.417 2.065 0 40 DEAB Cc1ccc(Cl)cc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 137103012 CVXBPNFIRICOGM-GHMZBOCLSA-N 316.835 2.302 0 40 DEAB O=S(=O)(CCc1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 41195062 YMIQBHSYQXWCNO-JKSUJKDBSA-N 309.431 2.202 0 40 DEAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3c(C)noc3C)C2)o1 84258939 KDRPKFYRAFZULL-CQSZACIVSA-N 304.394 2.294 0 40 DEAB COc1cc(CCNC(=O)NCC[C@@H]2CCCO2)ccc1C 96421454 LZGQTBRRFWCKGR-HNNXBMFYSA-N 306.406 2.414 0 40 DEAB C[C@@H](CN1CCN(C)CC1)N[C@H]1CSCCc2ccccc21 96477281 GRPHIAPRPHTPOQ-YJBOKZPZSA-N 319.518 2.243 0 40 DEAB CN(C)CC(=O)Nc1cccc(CNc2cccc(F)n2)c1 96453524 BWUFLDMJCKIFOH-UHFFFAOYSA-N 302.353 2.333 0 40 DEAB COc1cccc(CCC(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OC)c1 96041426 RIRJZNZKYYXHDF-LZLYRXPVSA-N 319.401 2.033 0 40 DEAB COC[C@@]12CCC[C@@H]1CN(C(=O)COc1ccccc1OC)C2 96109153 QFKFQKBVSNSYJT-KDOFPFPSSA-N 319.401 2.349 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)[C@H]1CCCc2ccccc21 96442183 PPTIFLKKXQBIEX-HIFRSBDPSA-N 302.374 2.193 0 40 DEAB O=C1CCCN1C[C@@H](NC[C@H]1CCCOC1)c1ccccc1 97230635 NDNDPYLPTZCMGM-NVXWUHKLSA-N 302.418 2.366 0 40 DEAB Cc1ncsc1CCN1C(=O)N[C@H](Cc2ccccc2)C1=O 96448232 MZAPKFCBQZHNMR-CYBMUJFWSA-N 315.398 2.157 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@@H]3CCCC[C@@H]23)cc1 245227288 KBBYFBBNPXYOHV-KFWWJZLASA-N 307.415 2.373 0 40 DEAB O=C(CC1CCCC1)N[C@@H]1C[C@H]2Oc3ccccc3N[C@H]2[C@@H]1O 257315667 VCINOWHBYHXLOJ-MOIQIXESSA-N 316.401 2.058 0 40 DEAB CO[C@H]1CC[C@H](C(=O)N2CCC(O)(c3ccccn3)CC2)CC1 257267504 MHOPLNYTWKXCKQ-SHTZXODSSA-N 318.417 2.097 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 257331084 XRHHMPMJAPANIC-OAHLLOKOSA-N 322.372 2.276 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 575405745 ZRGMOLSSPHTBFN-SNPRPXQTSA-N 318.442 2.341 0 40 DEAB CC(C)[C@H](C(=O)NC[C@@H]1CCCO1)N1CCc2ccccc2C1 48274779 ZBDXRBBKVRSMQF-ZWKOTPCHSA-N 316.445 2.365 0 40 DEAB c1sc(C2CC2)nc1CSc1nnnn1C[C@@H]1CCCO1 95975915 JPXYCFMSUXMTKL-NSHDSACASA-N 323.447 2.478 0 40 DEAB O=C(O)c1cccc(C(=O)O)c1[S@@](=O)Cc1ccccc1 5662934 CKAKBIDWQALZDX-OAQYLSRUSA-N 304.323 2.391 0 40 DEAB in-vitro Cn1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)c2cccnc21 12253675 MCTDCFFYFNCNLO-AWEZNQCLSA-N 321.384 2.383 0 40 DEAB CC(C)(C)c1ccc(NC(=O)CCN2C(=O)CCC2=O)cc1 14189140 FQYFOCCSVWGCDW-UHFFFAOYSA-N 302.374 2.462 0 40 DEAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(F)cc1Br 169192432 IMVLMFRBXRCINK-RNCFNFMXSA-N 302.187 2.491 0 40 DEAB C/C=C1\C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23 5480243 NSESUDTWEGLOPE-VLLWJIBDSA-N 321.417 2.158 0 40 DEAB biogenic O=C(C[C@@H]1CSc2nccc(=O)n21)NCCC1=CCCCC1 12236156 JOUAANJGNAHBGE-CYBMUJFWSA-N 319.430 2.287 0 40 DEAB Cc1cccc2sc(N3CCO[C@@H](C(=O)NC4CC4)C3)nc12 1888869433 MXVQRMVEGSOBLR-GFCCVEGCSA-N 317.414 2.089 0 40 DEAB COc1ccccc1CC(=O)N1CC[C@H](Oc2ccccn2)C1 238955117 XUJUIXRAGRAZQN-HNNXBMFYSA-N 312.369 2.313 0 40 DEAB O=C(Cc1ccsc1)N[C@H](Cn1nccn1)c1ccccc1 245171790 XVMNCRNUWZHNOJ-OAHLLOKOSA-N 312.398 2.440 0 40 DEAB CCNC(=S)N1CCN(Cc2c(F)cccc2Cl)CC1 23103934 PFWIBOHITYUQQR-UHFFFAOYSA-N 315.845 2.491 0 40 DEAB COc1cc(OC)cc(C(=O)NC[C@H](c2ccco2)N(C)C)c1 10328234 IAPOTEQCFCGLFI-OAHLLOKOSA-N 318.373 2.330 0 40 DEAB Cc1cc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)nn1C 12443000 QFOYLMRLGKIBSI-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB CCCc1cc(=O)n(CC(=O)Nc2cnc3ccccc3c2)cn1 38509948 FOKURHACONRCPB-UHFFFAOYSA-N 322.368 2.383 0 40 DEAB Cc1oncc1C(=O)NC[C@H](c1ccsc1)n1cccn1 575613932 MDBSIJJRWIIBPJ-CYBMUJFWSA-N 302.359 2.260 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)C1 41129055 DBBBTHQJQPYMBJ-AWEZNQCLSA-N 312.369 2.213 0 40 DEAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc(CCO)cc1 60366927 MEIQBPSUVKXENI-INIZCTEOSA-N 311.337 2.462 0 40 DEAB COCc1cc(C(=O)N2CCC[C@H]2c2noc(C)n2)c(C)o1 76043147 ZYCKEEVGJRYDAK-ZDUSSCGKSA-N 305.334 2.403 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2noc(C3CC3)n2)on1 76047549 PNLIKXJHDMBSHL-LLVKDONJSA-N 317.349 2.019 0 40 DEAB CCCc1sc(C(=O)NCCCCNC(N)=O)cc1CC 76017383 RDBJLMISJMLNAW-UHFFFAOYSA-N 311.451 2.441 0 40 DEAB CSC1(CNc2nc3ccccc3c(=O)[nH]2)CCOCC1 78412519 JZBRBQNPSADIMQ-UHFFFAOYSA-N 305.403 2.247 0 40 DEAB Cc1cccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@@]32C)c1 2445792 RADSEPSSXPMLEC-YPMHNXCESA-N 313.469 2.389 0 40 DEAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1ccn(C)n1 2781826 RQSJEQWLQHBTMF-QMMMGPOBSA-N 301.272 2.144 0 40 DEAB O=C(COC(=O)COc1ccccc1Cl)NC1CCCC1 3476149 RURODSGBGHWHGZ-UHFFFAOYSA-N 311.765 2.321 0 40 DEAB C[C@@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 21960702 LWXAILTVGNZMPF-CQSZACIVSA-N 311.385 2.409 0 40 DEAB Cc1cccc(NC(=O)CSc2nc(=O)[nH]c3c2CCC3)c1 4316782 JEKLQEUFFBLOAR-UHFFFAOYSA-N 315.398 2.298 0 40 DEAB CCN1CCN(c2ncnc3c2cnn3-c2ccc(C)cc2)CC1 4355039 DBIBOHDZBLHHAB-UHFFFAOYSA-N 322.416 2.266 0 40 DEAB O=C(/C=C/c1ccc(Br)o1)NC[C@@H]1CCCO1 41779053 WPUSVAPLHBGOLO-RWCYGVJQSA-N 300.152 2.351 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=S)N[C@@H]1C[C@H]2CC[C@@H]1C2 8883894 HUJYLSHMKQOJDV-YNEHKIRRSA-N 311.495 2.286 0 40 DEAB O=C1N[C@@]2(C[C@@H]3CC[C@@H]2N3Cc2ccncc2)Nc2ccccc21 100119516 DISJTXFLJNDMLU-UCLAIMLFSA-N 320.396 2.370 0 40 DEAB C[C@@H](OC(=O)c1ccco1)C(=O)N[C@@H]1CCOc2ccccc21 22497338 XUULWVKWVHRFAY-DGCLKSJQSA-N 315.325 2.465 0 40 DEAB O=C(NCc1cccc(N2CCOC2=O)c1)c1ccccc1O 47276437 QNOTUCZDAVWACM-UHFFFAOYSA-N 312.325 2.279 0 40 DEAB COc1ccc([C@@H]2SCC(=O)N2C[C@@H]2CCCO2)cc1OC 27754869 VQCNMWQIIHTQMY-LRDDRELGSA-N 323.414 2.457 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)C1(c2ccccc2)CCOCC1 25303928 DZVHVOXEOYYJOH-UHFFFAOYSA-N 313.401 2.127 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)N[C@H]1CCOc2ccccc21 47867977 GJAIGPDBTJWQEC-OCCSQVGLSA-N 300.362 2.095 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)CCC(=O)N3)no1 27019499 MEDGXLABXXFHFJ-SNVBAGLBSA-N 314.345 2.307 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 21589513 NYGPUBYFKUITRX-OAHLLOKOSA-N 317.366 2.032 0 40 DEAB CCN(CC)C(=O)CCNC(=O)Cc1cn(C)c2ccccc12 58292414 LEUZBULULCAZEP-UHFFFAOYSA-N 315.417 2.096 0 40 DEAB COCCn1cc(NC(=O)N2CCC[C@H]2c2cc(C)no2)cn1 44973159 JCDQCZHBYAXFLY-ZDUSSCGKSA-N 319.365 2.195 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N[C@@H]3CCCC[C@@H]3O)cnc21 58316076 ITZVNYGNBWRLIH-KGLIPLIRSA-N 317.393 2.437 0 40 DEAB C[C@@H](O)CN(Cc1cc(=O)n2ccsc2n1)c1ccccc1 58420880 UMYZRQGPAHFBFR-GFCCVEGCSA-N 315.398 2.143 0 40 DEAB CCN(Cc1ccccc1Cl)C(=O)CN1CSCC1=O 58699896 SCERWEMSOJCELY-UHFFFAOYSA-N 312.822 2.221 0 40 DEAB CCc1nnc2n1C[C@H](NC(=O)c1ccc3cc[nH]c3c1)CC2 97198587 WZDGBBXWNGOWEY-CYBMUJFWSA-N 309.373 2.067 0 40 DEAB CN(C)C(=O)CCS(=O)(=O)Cc1cccc2ccccc12 46116458 KNABZKGHMWMSPV-UHFFFAOYSA-N 305.399 2.233 0 40 DEAB CC(C)(C)NC(=O)NC(=O)COc1ccc(F)c(Cl)c1 3524793 SWBDJLBSMJBKGL-UHFFFAOYSA-N 302.733 2.482 0 40 DEAB CCCCn1nnc(NC(=O)c2cccc(Br)c2)n1 18201404 TVEAIGSWVPANOT-UHFFFAOYSA-N 324.182 2.488 0 40 DEAB Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H](C(=O)O)C2)c1 13170544 SWKIVHSIKMVIRT-CQSZACIVSA-N 305.374 2.396 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2O)c1 13143394 GWEIKCNJAGZMLG-UHFFFAOYSA-N 309.343 2.210 0 40 DEAB CCCN(C)c1ccc(C(=O)N(CC)CC(=O)NCC)cc1 63926003 SVGNPQLBEFXWDZ-UHFFFAOYSA-N 305.422 2.131 0 40 DEAB COc1ccc(CC(=O)NCCCN2CCCCC2)cc1OC 13613569 NVIUIAKNOLUBHH-UHFFFAOYSA-N 320.433 2.239 0 40 DEAB CCCOc1ccc(/C=C/C(=O)NCCC(=O)O)cc1OC 62714541 VUZPHKIFCGNFIY-FNORWQNLSA-N 307.346 2.088 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 6508200 IGEPIFTWIJIOPG-UHFFFAOYSA-N 307.346 2.410 0 40 DEAB CC(C)c1ccccc1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 6658595 NUSNSNZKNWUWEJ-STQMWFEESA-N 310.444 2.464 0 40 DEAB Cc1ccc(Cl)cc1N1CC[C@@H](CNC2=NCCCN2)C1 66246343 ZXAMXYAXMKHGDI-ZDUSSCGKSA-N 306.841 2.414 0 40 DEAB CCc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 6708912 YDNBENMVMRSWJF-UHFFFAOYSA-N 300.358 2.296 0 40 DEAB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1csnn1 67028097 IVIJVIUYKUOQPW-LBPRGKRZSA-N 324.406 2.098 0 40 DEAB CS(=O)(=O)c1ccc(N2CCC(C(=O)O)CC2)c(Cl)c1 15443230 CCCYGCUBXSBKOP-UHFFFAOYSA-N 317.794 2.045 0 40 DEAB C[C@@H](CO)NC(=O)N[C@@H](C)Cc1ccccc1C(F)(F)F 96500377 VMVZNOZSTQIWLZ-UWVGGRQHSA-N 304.312 2.316 0 40 DEAB Cc1nn(CC(=O)N2CCc3ccc(O)cc3C2)c(C)c1Cl 80349116 KTRNVDQAIVNYGI-UHFFFAOYSA-N 319.792 2.444 0 40 DEAB CC(C)(C)CC(=O)NCCC(=O)N1CCOc2ccccc2C1 71902963 BGNZZSVVRQBALK-UHFFFAOYSA-N 318.417 2.350 0 40 DEAB C[C@@H](NC(=O)COC[C@H]1CCCO1)c1nc2c(s1)CCCC2 71904541 SMTRYHISJQEMML-VXGBXAGGSA-N 324.446 2.395 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8490576 ANQQJVOYDHOENM-ZDUSSCGKSA-N 303.362 2.451 0 40 DEAB COc1c(C)cccc1C(=O)NCCNC(=O)c1cccs1 8401936 PULQXUSUMSEPHD-UHFFFAOYSA-N 318.398 2.225 0 40 DEAB Cn1cc([C@H]2CCCN2CC(=O)N2CCc3ccccc3C2)cn1 71797330 GUOCGWVHJXLLHA-GOSISDBHSA-N 324.428 2.142 0 40 DEAB Cc1cc(NC(=O)CN2CCc3[nH]c4ccccc4c3C2)no1 69619531 BWKZXLIXLZBQQV-UHFFFAOYSA-N 310.357 2.461 0 40 DEAB COC(=O)c1cccc(COC(=O)c2ccc(OC)nc2)c1 8515064 MNXLMYPKVGKIKB-UHFFFAOYSA-N 301.298 2.234 0 40 DEAB O=C(Cn1cncn1)N(Cc1ccc(F)cc1)CC(F)(F)F 96425758 IAKKAHDELZNOPV-UHFFFAOYSA-N 316.258 2.008 0 40 DEAB Cc1[nH]c2ccc(C(=O)NCC(=O)NC(C)(C)C)cc2c1C 17812063 FEHARPRSFHSXJN-UHFFFAOYSA-N 301.390 2.429 0 40 DEAB CC1CCN(c2ccc(C(=O)OCc3nccn3C)cn2)CC1 97136978 HSUJUXVQABKIRA-UHFFFAOYSA-N 314.389 2.408 0 40 DEAB COC[C@H](C)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 97084791 SMXHWQKHYCGIGE-JTQLQIEISA-N 321.356 2.281 0 40 DEAB COC(=O)c1ncn(Cc2coc(-c3ccc(F)c(F)c3)n2)n1 72280969 QMUXMRODAXODQN-UHFFFAOYSA-N 320.255 2.046 0 40 DEAB Cc1cc(C)c2cc(C(=O)NCc3ccc(C(N)=O)o3)[nH]c2c1 72310452 JSEWGRPXIGVIAH-UHFFFAOYSA-N 311.341 2.407 0 40 DEAB Cn1ncc(C(=O)N[C@@H]2CCCC[C@@H]2Oc2ccccc2)c1N 97375982 PFJKSSVWSSCPHM-CABCVRRESA-N 314.389 2.122 0 40 DEAB Cc1cc(C)c(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)[nH]1 95439887 IVHRXZGFOXAFSN-CYBMUJFWSA-N 316.357 2.339 0 40 DEAB C[C@H]1CN(C2CCN(c3noc(C(C)(C)C)n3)CC2)CCO1 95468699 DTBSBLAQVLEJFJ-LBPRGKRZSA-N 308.426 2.057 0 40 DEAB CC[C@@H](C(=O)N[C@H](C)COc1cccc(F)c1)N1CCCC1=O 95401375 KVGROVUOGUSRIU-DOMZBBRYSA-N 322.380 2.110 0 40 DEAB CC1(C)C(C(=O)N2CCCN(C3CCOCC3)CC2)C1(C)C 73858819 FXXLUODSWFSSTG-UHFFFAOYSA-N 308.466 2.382 0 40 DEAB N[C@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 85357795 NCLFDRWXJXSAIO-OCCSQVGLSA-N 307.825 2.116 0 40 DEAB CN(C)c1ccc(C(=O)N[C@H](CO)c2ccccc2)c(F)c1 95994454 FCCMWTNYKJDXHZ-MRXNPFEDSA-N 302.349 2.355 0 40 DEAB CN(C)C(=O)CCC[S@](=O)c1cccc(Br)c1 95953347 FOWCQXVBLRYXEN-QGZVFWFLSA-N 318.236 2.425 0 40 DEAB COc1cccc(NC(=O)Nc2cnn(-c3ncccn3)c2)c1 75143702 FLBMCLYFURTJAN-UHFFFAOYSA-N 310.317 2.315 0 40 DEAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)[N+](=O)[O-])cc1 408821969 BCCKHXLKCHJGJH-UHFFFAOYSA-N 322.342 2.078 0 40 DEAB O=C(NCc1ccsc1)N1CCC[C@H](CN2CCOCC2)C1 69924609 JJGGKVVMHGPIRW-OAHLLOKOSA-N 323.462 2.002 0 40 DEAB CC(C)C[C@@H](C(=O)O)N1CC[C@@](O)(Cc2ccc(F)cc2)C1 516981305 IQGMEXRTUUTREM-DOTOQJQBSA-N 309.381 2.304 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NCCC(=O)N(C)C1C2CC3CC(C2)CC1C3 33168220 LWPCFSNXIIAXCG-YEAFPTKASA-N 318.461 2.432 0 40 DEAB Cc1ccc(C)c(-n2c(C)cc3c(cnc4ncnn43)c2=O)c1 38783970 XCYMNKLDXXISGH-UHFFFAOYSA-N 305.341 2.354 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C 30289975 DYFCEKHNHIWXGR-UHFFFAOYSA-N 315.435 2.487 0 40 DEAB CN1C(=O)C[C@@H](C(=O)NCC2CCC2)[C@@H]1c1ccc(F)cc1 72259864 LQDGTQXCWNHFMQ-ZBFHGGJFSA-N 304.365 2.261 0 40 DEAB COc1ccc(F)cc1CN1Cc2ccccc2C[C@@H]1C(N)=O 71834789 UODYXTKYZPRZAX-MRXNPFEDSA-N 314.360 2.247 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)CCOc1ccc(F)cc1)C2 72278989 AHSOVENYPGNMRI-AWEZNQCLSA-N 317.364 2.231 0 40 DEAB CCc1cnc(CN(C)C(=O)N[C@H]2CCN(CC3CC3)C2)s1 83231663 IXQPZZRQPHAHBT-ZDUSSCGKSA-N 322.478 2.331 0 40 DEAB CCOCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 48496182 OEHAEFUGBAFBAM-UHFFFAOYSA-N 319.188 2.475 0 40 DEAB Cc1cc(CNC(=O)c2c(F)cccc2F)nc(N(C)C)n1 224233259 CSZFTYAYSRCKPJ-UHFFFAOYSA-N 306.316 2.059 0 40 DEAB C[C@H]1C[C@H](C)CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C1 47331032 URLXUAYGKYDELI-RYUDHWBXSA-N 300.424 2.008 0 40 DEAB O=C(CCc1ccccc1Cl)NCCCN1CCOCC1 47465694 JLRRDBDYCMRGLV-UHFFFAOYSA-N 310.825 2.111 0 40 DEAB Cc1cc(N(C)S(=O)(=O)N(C)C)ccc1Br 96426115 BKLXBMYDRNPJAA-UHFFFAOYSA-N 307.213 2.000 0 40 DEAB C[C@@H](Cn1cccn1)NC[C@@H](O)c1cccc(Br)c1 49075828 UBTGEFJQULOZIJ-SMDDNHRTSA-N 324.222 2.357 0 40 DEAB O=c1n(CCCNc2ccncc2Cl)nc2ccccn12 91456044 JUKADWISSXTKLQ-UHFFFAOYSA-N 303.753 2.047 0 40 DEAB COCCN1CCN(C(=O)c2cccs2)Cc2cccnc21 96198862 JENGQOGRMMJXAS-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C2CC2)[C@@H]2CC(O)=NC2=O)s1 96403401 NVAHRGXAARJJMX-GRYCIOLGSA-N 318.398 2.406 0 40 DEAB c1ccc(CN2CCC[C@]3(CCN(C[C@@H]4CCOC4)C3)C2)nc1 96158066 FUUNYYHRVNTBNQ-HKUYNNGSSA-N 315.461 2.406 0 40 DEAB CN(C)C[C@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 96052276 YUIPJUFKZGTYBD-ZBFHGGJFSA-N 310.463 2.060 0 40 DEAB c1ccc(-c2cnc3n2C[C@H](CNC2CCOCC2)OC3)cc1 96296454 RYIXAAUGDHJGBW-INIZCTEOSA-N 313.401 2.218 0 40 DEAB biogenic,in-vitro O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CC1)OCCO2 96402315 GTUFVYDOCHZEIH-UHFFFAOYSA-N 320.433 2.360 0 40 DEAB COCCn1c2c(ccc1=O)C[C@@H](NCc1cccs1)CC2 96059343 TVBUZKMAPJIKOT-AWEZNQCLSA-N 318.442 2.203 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)NC[C@@H]1CCC[C@H]1O 96434724 IDJDJYYJYIGLLA-DZGCQCFKSA-N 314.389 2.463 0 40 DEAB CC(C)OC[C@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 96040501 NCVIWKLYIGJRTJ-DLBZAZTESA-N 307.438 2.216 0 40 DEAB O=C(NCCN1CCOCC1)[C@@H]1C[C@H]1c1cccc2ccccc12 96404790 UIVLHRXUMLHMEP-RBUKOAKNSA-N 324.424 2.392 0 40 DEAB CC(=O)NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 96112468 AITLQXWFIWJCEP-JTQLQIEISA-N 313.279 2.263 0 40 DEAB biogenic,in-vitro c1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ccccn2)nc1 96041862 JSLJOEFDMGOOJA-LZLYRXPVSA-N 311.385 2.287 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 42734332 FNTDMZWUZHAGKG-VYPOOZAYSA-N 316.401 2.129 0 40 DEAB CN(C(=O)c1cscn1)[C@@H]1CCCN(c2ccccn2)C1 257238932 HNELCLLFPRXTDQ-GFCCVEGCSA-N 302.403 2.279 0 40 DEAB Cc1nc(NCCNC(=O)c2ccccc2)cc(-n2cccc2)n1 85472122 CWDMHQSAWMWDGD-UHFFFAOYSA-N 321.384 2.418 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1OC 131899 MKIARBMLZYWXSZ-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1nc2ccc(NC(=O)N3C[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3)cn2n1 296611671 ARMUTGABFYWUPB-NZBPQXDJSA-N 309.373 2.324 0 40 DEAB CO[C@]1(COc2ccc(C)cc2)CCN(Cc2cnc[nH]2)C1 585274855 PNHCBVWWCTWZMQ-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)n(C)n1 43433642 QYOPZPAQGSVJOO-LBPRGKRZSA-N 307.423 2.214 0 40 DEAB O=C(NCCOc1ccc(F)c(F)c1)NCc1cccnc1 72270008 LQQZYHCXZPDUQX-UHFFFAOYSA-N 307.300 2.238 0 40 DEAB CC(=O)c1cccc(-c2ccc(/C=C3/NC(=S)NC3=O)o2)c1 136523 ZCFFBEGMQVMBRQ-MDWZMJQESA-N 312.350 2.494 0 40 DEAB CCOc1ccc(CC(=O)N2CCCc3c(cnn3C)C2)cc1 12235259 YCXKQOFSQFYARS-UHFFFAOYSA-N 313.401 2.336 0 40 DEAB CCOC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccccc1Cl 17992489 QUPDLQPIDUNUFU-LBPRGKRZSA-N 319.752 2.179 0 40 DEAB CC(C)c1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2cccnc2)n1 19452579 ORWVVBLMXVQFCF-AWEZNQCLSA-N 312.373 2.266 0 40 DEAB CN1CCc2nc(C3CCN(Cc4cccnc4)CC3)ncc2C1 19590722 FKKTZQCLYDXEAZ-UHFFFAOYSA-N 323.444 2.239 0 40 DEAB Nc1nn(CC(=O)Nc2cccc(F)c2)cc1Br 40516051 RSYOCFVXROWREJ-UHFFFAOYSA-N 313.130 2.006 0 40 DEAB CN1CCCC[C@]2(CN(Cc3cccc(F)c3F)CCO2)C1=O 2037984063 OUVHJVKCARULRI-KRWDZBQOSA-N 324.371 2.178 0 40 DEAB Cc1c(C(=O)N2CC3(CCN(C(C)C)C3)C2)nc2ccccn12 1565555274 VZXRZAFQCFABFP-UHFFFAOYSA-N 312.417 2.199 0 40 DEAB COc1ccccc1NC(=O)c1cc2cccnc2n(C)c1=O 5303628 VZDQCNASBWVBSO-UHFFFAOYSA-N 309.325 2.194 0 40 DEAB Cc1nc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)c2ccncc2n1 2298049120 NGKKPGCCFHLZOK-OKILXGFUSA-N 309.417 2.254 0 40 DEAB O=C(/C=C/c1ccco1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 16036419 TXQCXCNVHIUDLG-HYLRALAJSA-N 310.353 2.100 0 40 DEAB biogenic O=C(C1CCCCC1)N1CCN(C(=O)N2CCCCC2)CC1 40040443 MPLDXRXSVZVCRI-UHFFFAOYSA-N 307.438 2.317 0 40 DEAB CC(=O)Nc1nc(C(=O)NCCOc2ccc(C)cc2)cs1 30880931 MHAPIBQMSRVKGA-UHFFFAOYSA-N 319.386 2.219 0 40 DEAB O=S(=O)(Cc1coc(-c2ccccc2)n1)C[C@H]1CCCO1 40498839 UKKSYSYHKIAVBL-CQSZACIVSA-N 307.371 2.435 0 40 DEAB Cc1csc(=O)n1CC(=O)NC1C2CC3CC(C2)CC1C3 40464708 YYHAINJEOKYDRX-UHFFFAOYSA-N 306.431 2.159 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O 20480854 OQVNJVSIPVUOLL-OIBJUYFYSA-N 315.167 2.073 0 40 DEAB CC(C)Oc1ccccc1[C@H](C)NC(=O)c1ccc(=O)[nH]n1 40541235 XDQWBSQLSRBUAA-NSHDSACASA-N 301.346 2.048 0 40 DEAB CCc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1 40526014 PBRSCPFDAIRGMG-INIZCTEOSA-N 305.422 2.217 0 40 DEAB O=C(NCCN1CCCCCC1=O)c1cc(-c2ccco2)on1 32309755 HMCWFRROSBWIPT-UHFFFAOYSA-N 317.345 2.067 0 40 DEAB Cc1noc(CCNC(=O)N[C@@H]2CCCc3ccccc32)n1 101619023 ZIRRRFVRXKRJPS-CQSZACIVSA-N 300.362 2.297 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)CCOc3ccccc32)nc1 32841584 YDTWTBLWGBHZKB-UHFFFAOYSA-N 311.341 2.144 0 40 DEAB O=C(NCc1ccc(F)cc1)c1nn2cccnc2c1Cl 2793361 CCIWTXWSYATCDX-UHFFFAOYSA-N 304.712 2.452 0 40 DEAB CC(=O)NCC1CCN(C[C@@H](O)c2cc(C)ccc2C)CC1 76082316 QHGMFAJYPZPJBQ-GOSISDBHSA-N 304.434 2.185 0 40 DEAB CCn1cnnc1CNC(=O)Nc1cc(-c2ccccc2)on1 79063255 HBYQUUSWPNKNNS-UHFFFAOYSA-N 312.333 2.275 0 40 DEAB CC(C)CNC(=O)c1cc(=O)c(OCc2ccccc2)c[nH]1 12168276 HACLVSHFQQOCLU-UHFFFAOYSA-N 300.358 2.340 0 40 DEAB O=C(NC[C@@H](c1ccc2c(c1)OCO2)N1CCCC1)C1CC1 12197117 AHBBEBRKQAZBKZ-AWEZNQCLSA-N 302.374 2.078 0 40 DEAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1F 6971658 NBIHSKOCDQUZLV-UHFFFAOYSA-N 324.258 2.482 0 40 DEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H]1CCCO1 22620909 DCLIMGWRKYQEAO-CYBMUJFWSA-N 302.378 2.229 0 40 DEAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(C)cc1 8300461 QMRXBISRTQUWQM-HRCADAONSA-N 322.474 2.394 0 40 DEAB biogenic,in-vitro CC(=O)c1cccc(NCC(=O)Nc2ccc(C(N)=O)cc2)c1 12595676 UUSYGKNJWFBXQU-UHFFFAOYSA-N 311.341 2.039 0 40 DEAB CC(C)C[C@H](NC(=O)CSCC(N)=O)c1cccs1 71851745 LUZCZGZGOAUANI-JTQLQIEISA-N 300.449 2.170 0 40 DEAB CC(C)n1ccnc1CN1CCCN(C(=O)c2ccc[nH]2)CC1 69848689 YRPMRXSVISFNJA-UHFFFAOYSA-N 315.421 2.140 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc(=O)[nH]c2ccccc12 48288618 PRMGBTASQONGJM-ZDUSSCGKSA-N 320.348 2.262 0 40 DEAB Cc1ccc(C(=O)CSc2nc(O)c3nc[nH]c3n2)cc1 10003437 UOYILTHBGYJESH-UHFFFAOYSA-N 300.343 2.342 0 40 DEAB COc1ccccc1NC(=O)[C@@H]1CC(O)=Nc2cc(C)nn21 20714463 UDKLXERAYWEDEV-NSHDSACASA-N 300.318 2.372 0 40 DEAB Cc1nc(N2CCN(C(=O)N(C)C)CC2)c2c(C)csc2n1 97163543 BJRHELOGPRXACC-UHFFFAOYSA-N 319.434 2.112 0 40 DEAB CC(=O)NCC1CCN(c2cccc(C(F)(F)F)n2)CC1 58289210 XRGQQCJXVDZAAS-UHFFFAOYSA-N 301.312 2.453 0 40 DEAB O=C([C@H]1CCCCN1Cc1cccnc1)N1CCc2cnccc21 97163991 NHOGWQGBKVNYAS-GOSISDBHSA-N 322.412 2.420 0 40 DEAB Cc1csc([C@H](C)CNC(=O)Nc2c[nH]c(=O)c(C)c2)n1 97113494 LZNUEHNPITYQQK-SECBINFHSA-N 306.391 2.373 0 40 DEAB Cc1nnsc1-c1nn2c(C(F)(F)Cl)nnc2s1 61717743 XYVJFCLBIOLRSW-UHFFFAOYSA-N 308.726 2.301 0 40 DEAB COc1cccc(CO[C@@H](C)C(=O)NCCc2cccnc2)c1 44935221 JSBHTVJLGXCBMP-AWEZNQCLSA-N 314.385 2.354 0 40 DEAB NC(=O)C[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1 58343308 CKMKSDQGCCTERA-MRXNPFEDSA-N 311.385 2.347 0 40 DEAB C[C@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1N1CCOCC1 72300448 HPHMEHIGMKPDFR-WFASDCNBSA-N 320.458 2.418 0 40 DEAB CC(C)CNC(=O)[C@H](C)Nc1ccc(N2CCCC2=O)cc1 28881032 XOPGJVVXLGTMNO-ZDUSSCGKSA-N 303.406 2.386 0 40 DEAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ncccn3)CC2=O)c1 11355736 FZTBIHRYUBYHBP-ZDUSSCGKSA-N 310.357 2.085 0 40 DEAB C[C@@H]1CCc2c(C(=O)N3CCC(C(N)=O)CC3)csc2C1 12817780 UAMCMOFSFZMBNL-SNVBAGLBSA-N 306.431 2.210 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)c(=O)[nH]1 5154700 BQPCGNLRFKYYRF-UHFFFAOYSA-N 324.793 2.166 0 40 DEAB CCCCOC(=O)CN1C(=O)N[C@](CC)(c2ccccc2)C1=O 4305869 FYKZYKOVRWROFZ-QGZVFWFLSA-N 318.373 2.187 0 40 DEAB CC(C)CCNC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 14170309 YQRWZXZKCBRLHN-ZDUSSCGKSA-N 317.389 2.006 0 40 DEAB Cc1cc(C)c2c(OCC(=O)N3CCCCCC3)nn(C)c2n1 65604187 NQPIUNIVVUMPBJ-UHFFFAOYSA-N 316.405 2.367 0 40 DEAB COc1ccccc1C[C@@H](C(=O)Nc1ccccc1)c1nn[nH]n1 6556130 IABNZEUISJEPBR-CQSZACIVSA-N 323.356 2.173 0 40 DEAB NC(=O)CSc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 9190779 CAJJDDIXNRWNII-UHFFFAOYSA-N 311.366 2.371 0 40 DEAB CCN(Cc1ccccc1)C(=O)Cn1c(=O)cnc2ccccc21 6606724 GGNIOVZTVYFGSV-UHFFFAOYSA-N 321.380 2.445 0 40 DEAB Cc1nc(-c2cc3c(s2)CCN([C@H]2CCNC2=O)C3)cs1 93259749 XUNBDBFCEWWFKD-LBPRGKRZSA-N 319.455 2.427 0 40 DEAB CCOc1cc(C(=S)N2CCOCC2)cc(Cl)c1O 6958893 SCYKBRLUHHXLSU-UHFFFAOYSA-N 301.795 2.452 0 40 DEAB COCOc1ccc(OC)cc1CN1C[C@H]2CCCN2C[C@@H]1C 93437602 NDTMUZAEZHSZQM-GOEBONIOSA-N 320.433 2.346 0 40 DEAB COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC[C@H](CO)C1 80471378 JUVIULQPNCFCIW-NEPJUHHUSA-N 310.369 2.309 0 40 DEAB Cc1ccc2nc(COC(=O)Cc3ccsc3)cc(=O)n2c1 7414265 VIPGRQRNSFGSFB-UHFFFAOYSA-N 314.366 2.350 0 40 DEAB CCn1nnc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc21 7598845 DSYRIVRYNZJFMP-UHFFFAOYSA-N 324.340 2.475 0 40 DEAB COC(=O)c1sc2nc(CN3CCCCC3)[nH]c(=O)c2c1C 7503447 RRMONDDSHRWSGP-UHFFFAOYSA-N 321.402 2.066 0 40 DEAB C[C@@H](N[C@H]1CCCN(c2ccccc2F)C1=O)c1cnccn1 90919370 KRQPWRPVDFELCJ-OCCSQVGLSA-N 314.364 2.462 0 40 DEAB CCOc1ccccc1NC(=O)c1c(C)oc2nc[nH]c(=O)c12 16695559 IRHAVOJGIKTGOW-UHFFFAOYSA-N 313.313 2.476 0 40 DEAB O=C1CCCN1c1cccc(CNS(=O)(=O)C2CCCC2)c1 69438932 ISLZPLHOQTWSQZ-UHFFFAOYSA-N 322.430 2.175 0 40 DEAB CC(=O)NCCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 69415547 CPASUAQBCVRJSF-UHFFFAOYSA-N 321.764 2.251 0 40 DEAB CCOCCO[C@@H](C)C(=O)NCc1csc(C(C)(C)C)n1 69458987 CQHDETVKHOCQKN-NSHDSACASA-N 314.451 2.498 0 40 DEAB Cc1ccc(S(=O)(=O)CCCn2ccc(C)cc2=O)cc1 91596986 WKVVKCQEKNBUIJ-UHFFFAOYSA-N 305.399 2.329 0 40 DEAB Cc1csc(N2CCCN(Cc3nnc(C4CC4)o3)CC2)n1 71824892 IEZLJDOILHTACW-UHFFFAOYSA-N 319.434 2.424 0 40 DEAB CCCN(CC(F)F)S(=O)(=O)c1c(C)nn(CC)c1C 96427854 QCAKIQXOPZKOSX-UHFFFAOYSA-N 309.382 2.186 0 40 DEAB Cc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Cl)cn1 69583476 PCHKREPXOQYZCA-UHFFFAOYSA-N 321.739 2.437 0 40 DEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCC2CCC2)C[C@@H](C)O1 69534400 KEJPSMUSJFQAJB-LZWOXQAQSA-N 309.454 2.070 0 40 DEAB CN(Cc1ccncc1Cl)[C@@H]1CCN(CC(F)(F)F)C1=O 96441428 IOQRQOPRJUEHLX-LLVKDONJSA-N 321.730 2.330 0 40 DEAB COC(=O)N1CCC[C@@H](NC(=O)N(C)Cc2ccccc2)C1 72083146 DWNJTQJVYDOVPR-CQSZACIVSA-N 305.378 2.059 0 40 DEAB Cc1cc(C)cc(-c2nnc(NC(=O)N[C@@H](C)CO)s2)c1 97099985 PXBYWHPRMWUYCR-JTQLQIEISA-N 306.391 2.324 0 40 DEAB CCOC(=O)N(C)CC(=O)N[C@@H](c1nc(C)cs1)C1CC1 72297312 LVTSBEQXVDRPBJ-GFCCVEGCSA-N 311.407 2.107 0 40 DEAB O=C([C@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](c2ccn[nH]2)C1 72293484 VFPKOZHISCSYKS-MEDUHNTESA-N 315.348 2.259 0 40 DEAB CCC[C@@H](NC(=O)c1c(C)c(C)nn(C)c1=O)c1ccccn1 95450387 PUVLCLZOUGFERS-CQSZACIVSA-N 314.389 2.063 0 40 DEAB CN(C)CCCC1CCN(C(=O)NCc2ccn(C)c2)CC1 95980820 HKLLPUAVNBUYIQ-UHFFFAOYSA-N 306.454 2.289 0 40 DEAB CCC[C@@H](NC(=O)Cc1c[nH]c2c(C)cccc12)c1nnn[nH]1 89949582 XGKLZHLLOMIMFD-CYBMUJFWSA-N 312.377 2.190 0 40 DEAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)cc(C(=O)O)c1O 20140707 NKVKBIZMJNGLFP-UHFFFAOYSA-N 315.281 2.380 0 40 DEAB CCCCNC(=O)c1c(-n2cnnn2)sc2c1CCCC2 32072773 GVHLNTSTUBVAFC-UHFFFAOYSA-N 305.407 2.133 0 40 DEAB O=C1NCCN(Cc2ccn(CC(F)(F)F)n2)c2ccccc21 560239507 XTZLKHKWGBBRRC-UHFFFAOYSA-N 324.306 2.195 0 40 DEAB C[C@H](Cc1cccs1)NC(=O)C(=O)NCc1cccs1 38566098 KNXYKDRMNRAHSD-SNVBAGLBSA-N 308.428 2.173 0 40 DEAB CNC(=O)C1CN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)C1 186174753 PVZCJMMXDUDBGS-UHFFFAOYSA-N 318.417 2.457 0 40 DEAB COc1ccc2c(c1)CCN(C(=O)[C@@H]1CCc3[nH]cnc3C1)C2 225507948 MMCYXKRACJXIBT-CYBMUJFWSA-N 311.385 2.108 0 40 DEAB CN(C)C(=O)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 96057471 RSOCSDMNHYTXDJ-BZUAXINKSA-N 306.381 2.036 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)C1(c2ccc(Cl)cc2)CC1 96442230 RDARJMFJWWBNOO-CYBMUJFWSA-N 322.792 2.458 0 40 DEAB Cc1nnc2ccc(C(=O)O[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cn12 96442539 IDIYDESNHSOWIX-VHDGCEQUSA-N 315.373 2.398 0 40 DEAB OCc1cc2ccccc2nc1N1CCN(CC(F)F)CC1 96413693 QLXUMZPQAWJWTI-UHFFFAOYSA-N 307.344 2.114 0 40 DEAB c1csc(CN2CCc3ncc(Cn4cccn4)n3CC2)c1 96196931 SPSAMEYVYALYCU-UHFFFAOYSA-N 313.430 2.248 0 40 DEAB CCO[C@@H]1C[C@H](N(C)Cc2nc(CCOC)no2)C12CCCC2 96419727 AZZRDWYLBVSTJA-UONOGXRCSA-N 323.437 2.428 0 40 DEAB C[C@@H](NC(=O)c1nn(C)c2ccccc12)c1nnc2ccccn12 95479152 UWYMHPHWCPBFCQ-LLVKDONJSA-N 320.356 2.107 0 40 DEAB O=C1Nc2ccccc2S(=O)(=O)N1CCc1ccccc1 96455254 ZYCKIZUMZUJPLF-UHFFFAOYSA-N 302.355 2.466 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccsc3)C[C@H]2C1 96053929 SRXOOKFXUVUBFK-STQMWFEESA-N 319.455 2.409 0 40 DEAB O=c1scc(C(F)(F)F)n1Cc1nnsc1Cl 96450959 IYGUXJSXTYHLFQ-UHFFFAOYSA-N 301.702 2.482 0 40 DEAB CCN1CCC[C@@H]1CNCC(=O)N[C@@]1(C)[C@H]2CC[C@@H](C2)C1(C)C 245227253 IPBIEUUILOVODC-GGXPGOJBSA-N 321.509 2.391 0 40 DEAB CC[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCCn2nc(COC)nc21 245344056 XEFNLFDRCFMNEC-AGIUHOORSA-N 321.425 2.137 0 40 DEAB CC[C@H](C)C[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 252581634 GQXOAVBOIPLTJW-AXFHLTTASA-N 323.359 2.274 0 40 DEAB CNc1cnc(C[C@@H]2CCCN(Cc3cncnc3)CC2)cn1 257216017 CSSDXUNMIJDLER-CQSZACIVSA-N 312.421 2.153 0 40 DEAB CCCCc1nc(CN2CCO[C@@H](c3ccnc(C)n3)C2)c[nH]1 257207177 BGRAPCKURLDDLL-MRXNPFEDSA-N 315.421 2.424 0 40 DEAB COc1ccc([C@H]2CN(C(=O)CC3CC3)CCN2C(C)=O)cc1 257201831 AJEULGKPPLJPBX-QGZVFWFLSA-N 316.401 2.227 0 40 DEAB C1=C(CN2CCO[C@@H](c3cnccn3)C2)COc2ccccc21 257207871 BJSIXPCTBGSBSE-GOSISDBHSA-N 309.369 2.326 0 40 DEAB COC(=O)[C@@H](CB(O)OC(C)(C)C(C)(C)O)Cc1ccccc1 263583664 SHYZRTXLPWHEQJ-CQSZACIVSA-N 322.210 2.065 0 40 DEAB Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)cc(C(=O)O)c1 285081881 MJYGLALFLQHDGN-CYBMUJFWSA-N 313.375 2.004 0 40 DEAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Br)c(F)c1 722030728 PNEFRHXQPQEIJS-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB CCOCC[C@H]1CCOC12CCN(Cc1cnn(C)c1)CC2 585103247 AMCQFICUVRZKGI-INIZCTEOSA-N 307.438 2.218 0 40 DEAB Cc1nsc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)n1 685270407 PEJSUCAYZIKCAQ-UHFFFAOYSA-N 318.450 2.261 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(CC(C)(C)O)CC1 71881848 SWPJOYPRTNTSGA-UHFFFAOYSA-N 315.417 2.005 0 40 DEAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1 71835171 ZSVAZYPOXRALCI-CVEARBPZSA-N 311.385 2.123 0 40 DEAB O[C@@H](CN1CCN(Cc2cc(F)cc(F)c2)CC1)c1ccco1 85436912 FMIWIEXZIIJXAK-INIZCTEOSA-N 322.355 2.409 0 40 DEAB Cc1ccc(CCC(=O)N[C@@H]2CCO[C@@H](c3cncn3C)C2)o1 548670183 KKBTYALLLYRYEC-CZUORRHYSA-N 317.389 2.291 0 40 DEAB CC(C)(C)C(=O)N1CCC(CN2CCCC[C@@H]2CC(N)=O)CC1 159236775 WUBLMAVMHWZYSW-OAHLLOKOSA-N 323.481 2.001 0 40 DEAB CC1(C)Cc2cccc(OCC(=O)NC[C@@H]3CCCO3)c2O1 7453379 VBSIOFWSQHALBV-ZDUSSCGKSA-N 305.374 2.074 0 40 DEAB COc1cnc(Cl)nc1NNc1nc(Cl)ncc1OC 253534125 ZJGPQZSOIBIRPM-UHFFFAOYSA-N 317.136 2.030 0 40 DEAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ncon2)C1 245171725 XSBOEQBARXSOSE-LBPRGKRZSA-N 310.313 2.354 0 40 DEAB O=C(NCCc1cc(Cl)cc(Cl)c1)[C@H]1CSCN1 155715487 KHHCNDBIFXIBQT-LLVKDONJSA-N 305.230 2.315 0 40 DEAB Cc1cnc(C)c(OC2CCN(c3nnc(C)s3)CC2)n1 2087122220 HTMMWWOWXWHHQB-UHFFFAOYSA-N 305.407 2.301 0 40 DEAB CSc1cccc(NC(=O)C(=O)NCc2ccncc2)c1 4344529 JOWWKPQPAWNYAX-UHFFFAOYSA-N 301.371 2.058 0 40 DEAB COc1cccc(-n2ccn(Cc3ccccc3C)c(=O)c2=O)c1 20488971 OVYXUJMXAGPHMR-UHFFFAOYSA-N 322.364 2.365 0 40 DEAB C[C@@H]1CCc2c(C(=O)N[C@@H]3CCCCNC3=O)csc2C1 40092218 VAYFXELHBRMLLK-ZWNOBZJWSA-N 306.431 2.271 0 40 DEAB COc1cc(CNCc2ccnc(N(C)C)c2)cc(OC)c1 30903198 GPGOCAXUXLQFFW-UHFFFAOYSA-N 301.390 2.455 0 40 DEAB O=C(Cn1cccn1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 40475990 WSGKMNIWJAXDKV-AWEZNQCLSA-N 313.357 2.018 0 40 DEAB CC(C)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1 40510877 HYICUZIKCPQAOJ-QGZVFWFLSA-N 303.450 2.137 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)c1ccccc1 21523438 VNMJSPPJGYPQEG-HNNXBMFYSA-N 300.358 2.083 0 40 DEAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N(C)CC(N)=O 60565001 XHGDKDPYMAELNC-UHFFFAOYSA-N 323.805 2.329 0 40 DEAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 70173640 BXYJOWKYEWBVQN-ZJUUUORDSA-N 320.817 2.227 0 40 DEAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(COC)c1 69440460 PRDBAMYEQVRSJW-ZDUSSCGKSA-N 308.403 2.083 0 40 DEAB COCC(=O)N[C@H](C(=O)N[C@H](C)c1cc(C)ccc1C)C(C)C 78064384 XHFBBSVKFOZQNI-PBHICJAKSA-N 320.433 2.268 0 40 DEAB CCOc1ncccc1C(=O)N[C@H](CC(=O)O)c1ccccc1 78824824 UIJXORZMAUANJG-CQSZACIVSA-N 314.341 2.426 0 40 DEAB CSc1nc(C(=O)O[C@@H](C)Cn2cccn2)c2ccccn12 79052471 MQXRXECAWDOIRS-NSHDSACASA-N 316.386 2.498 0 40 DEAB C[C@H]1CN=C(N2CCN(CCCCCn3cccn3)CC2)S1 79497580 XZQMBPXSIUNWMO-HNNXBMFYSA-N 321.494 2.162 0 40 DEAB CN(C)[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 2698070 ZBEBPBULZOLKDQ-JTQLQIEISA-N 304.268 2.049 0 40 DEAB O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 46869406 JSZKTXLHEJVBBB-UHFFFAOYSA-N 324.789 2.257 0 40 DEAB C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccsc1C(=O)O 37370961 GFTJFVJVDXRQCG-IUCAKERBSA-N 303.405 2.398 0 40 DEAB in-vitro Cc1cn2nc(N3CCc4c(ncn4C4CC4)C3)sc2n1 69442959 FLFOZKXKBFAELP-UHFFFAOYSA-N 300.391 2.193 0 40 DEAB COC(=O)c1ccc(NCc2cc(=O)n3ccsc3n2)cc1 7813824 DPVZESTYFBXXGG-UHFFFAOYSA-N 315.354 2.155 0 40 DEAB O=C(O)CCn1nc(-c2ccc(Br)cc2)ccc1=O 57352069 RDUMYGVSIWYBFM-UHFFFAOYSA-N 323.146 2.148 0 40 DEAB Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1 8321272 ARHFFPFTPBWDBL-CYBMUJFWSA-N 318.398 2.301 0 40 DEAB CCOC(=O)NCC(=O)Nc1ccc(Br)cc1 42470183 UYHLGFDSHRSZDW-UHFFFAOYSA-N 301.140 2.134 0 40 DEAB Cn1ccs/c1=N\C(=O)c1cc(Br)ccc1O 102828173 HYJUOHBOORWESX-QBFSEMIESA-N 313.176 2.296 0 40 DEAB CN(Cc1ccsc1)c1cc(N2CCC[C@H]2CO)ncn1 106905813 WOYFSEDBHXPTTA-ZDUSSCGKSA-N 304.419 2.136 0 40 DEAB Cc1ccc(CCC2CCN(C(=O)[C@@H](C)NC(N)=O)CC2)cc1 25442291 NPAGTBZDCRYAOU-CQSZACIVSA-N 317.433 2.223 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@@H]21 104327552 CQRXWGFPWVYMSV-IYYOBANKSA-N 300.402 2.439 0 40 DEAB CC1(CNC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)Cc2ccccc2C1 108155104 LGYWYHFXDFFZNA-BZUAXINKSA-N 300.402 2.411 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1=O 44371270 PPBDQJZYMDQYEI-ZFWWWQNUSA-N 304.365 2.358 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC2(C)COC2)cc1 58160330 RDHLIJUACZAKIG-RISCZKNCSA-N 303.358 2.474 0 40 DEAB O[C@H](COc1ccc(F)cc1)CN1CCC(c2cc[nH]n2)CC1 58232092 VHRWEUNXJZIKLA-HNNXBMFYSA-N 319.380 2.168 0 40 DEAB COc1ccccc1OCCNC(=O)c1ccc2c(c1)OCO2 2170472 YMPOETQMVWCXGA-UHFFFAOYSA-N 315.325 2.233 0 40 DEAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cc[nH]n1 58331625 YSQKFMAZQSMAER-UHFFFAOYSA-N 306.797 2.267 0 40 DEAB COC(=O)[C@H](C)CN(Cc1ccccc1)Cc1cncn1C 72312076 HUUIUNQJLWAXMW-CQSZACIVSA-N 301.390 2.231 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@]1(C)Oc2ccccc2N=C1O 36358377 UZMWMPFGCSNARP-MRXNPFEDSA-N 314.345 2.415 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccn(C)n1 97379267 RTEXYQQMAHDCMK-AWEZNQCLSA-N 313.401 2.208 0 40 DEAB CN(Cc1ccsc1)C(=O)c1ccc2c(c1)NC(=O)CO2 48302239 AMUWXOPZODAMMB-UHFFFAOYSA-N 302.355 2.351 0 40 DEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccccc1Cl 12918443 PKCVJAVWPFRRPN-UHFFFAOYSA-N 314.838 2.245 0 40 DEAB Cc1cnn(C[C@@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1 69571056 CVTANKVYRINNGA-CVEARBPZSA-N 314.433 2.437 0 40 DEAB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc2cccnc12 23621709 UCMLEOZDRYXEAY-CQSZACIVSA-N 313.382 2.201 0 40 DEAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(N)c2)cc1 3885484 GYJZDFKDABGXIX-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB in-vitro O=C(COc1ccccc1C(=O)O)NCc1ccccc1F 13411561 QEWXIQLGBDIXFO-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB O=C(COc1ccccc1C(=O)O)NCCc1cccs1 13411367 XLUHZMLNJFJQGS-UHFFFAOYSA-N 305.355 2.184 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1ccc2c(c1)OCO2)C(=O)OC 13591602 NRDVYYDTADPFBE-ZANVPECISA-N 308.334 2.125 0 40 DEAB CN(CC(=O)N1CCC[C@H](N2CCCC2)C1)Cc1ccccc1 69811815 NRBCKZFJCNVNQS-SFHVURJKSA-N 315.461 2.205 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)N1CCCc2ccccc21 5198136 NOGBDLDSMNMURV-UHFFFAOYSA-N 314.341 2.428 0 40 DEAB Cc1nc(C)c(C(=O)NCCNC(=O)c2ccccc2F)s1 65407737 PLNNQPYUIQHNRO-UHFFFAOYSA-N 321.377 2.059 0 40 DEAB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@H]1c1ccco1 408732361 VDMJDHUWQCSMMX-LBPRGKRZSA-N 306.343 2.103 0 40 DEAB O=C(NCCNc1cnccn1)N1CCC[C@@H]1c1cccs1 65440325 QVUMGJQQFGMHKR-GFCCVEGCSA-N 317.418 2.497 0 40 DEAB COc1ccc(CN(C)Cc2nnnn2-c2ccccc2)cc1 14167317 OZOWGXCBJLSXQQ-UHFFFAOYSA-N 309.373 2.303 0 40 DEAB CCOc1ccc(Cc2nnc(SCC(=O)OC)n2C)cc1 4995519 CMMUHZKXTSKFRH-UHFFFAOYSA-N 321.402 2.070 0 40 DEAB O=C(CCC(=O)N1CCC[C@H]1C1CCCCC1)N1CCOCC1 80375746 CDVKLQXXRRRNIL-INIZCTEOSA-N 322.449 2.197 0 40 DEAB CCN(Cc1cnn(C)c1)S(=O)(=O)/C=C/c1ccccc1 67717255 AVFMSHMZSDYFMP-MDZDMXLPSA-N 305.403 2.243 0 40 DEAB CCn1c(S)nnc1[C@@H](C)NC(=O)c1ccccc1OC 9096016 HIMGVHFCSZZGCN-SECBINFHSA-N 306.391 2.086 0 40 DEAB COCCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 7463953 SLUCHUGBTUPOPH-UHFFFAOYSA-N 303.391 2.108 0 40 DEAB Cc1ccc2c(CC(=O)NCCNC(=O)C(C)C)coc2c1 68783045 BEKVWODTTQVBHF-UHFFFAOYSA-N 302.374 2.172 0 40 DEAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)Cn1ccccc1=O 8263261 SPIOTSRODAZIBP-JTQLQIEISA-N 302.296 2.038 0 40 DEAB COc1cccc(CNC(=O)c2ccc(-n3cncn3)cc2)c1 8331652 LADMPSOPFQPNEY-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CCOC(=O)c1cc(NC(=O)c2cc3cc(F)ccc3[nH]2)[nH]n1 95465004 CFMUKOAZGRHVHI-UHFFFAOYSA-N 316.292 2.459 0 40 DEAB Cc1ccc(-c2noc([C@H](C)SC[C@@H](O)CO)n2)cc1F 95407586 PNDBQOYMTBOAGO-ONGXEEELSA-N 312.366 2.332 0 40 DEAB C1=CC[C@@H](CN2CCN(Cc3noc(C4CC4)n3)CC2)CC1 96490046 GSHMNDCKCAMQEF-CQSZACIVSA-N 302.422 2.421 0 40 DEAB CC(C)N(Cc1cnn(C)c1)C(=O)c1cc2ccccc2c(=O)[nH]1 71821427 XOJPRARTCQHPIY-UHFFFAOYSA-N 324.384 2.312 0 40 DEAB C[C@@H]1CN(C(=O)NCc2cnn(C)c2)C[C@H](c2ccsc2)O1 95413982 BTPHUROYKJIQAM-BXUZGUMPSA-N 320.418 2.153 0 40 DEAB C[C@H]1CCC[C@@H](OCC(=O)NCCC(=O)N2CCCCCC2)C1 71903044 AQTMFKJCQJECMW-JKSUJKDBSA-N 324.465 2.491 0 40 DEAB CNC(=O)c1cc(N2C[C@H](c3ccccc3)O[C@H](C)C2)ccn1 71907350 JCLYSEUSSNNJEC-CXAGYDPISA-N 311.385 2.408 0 40 DEAB Cc1ccc(C[C@@H](NC(=O)c2c[nH]nn2)c2ccccn2)cc1 71908939 RXLUCSTUHPANFW-OAHLLOKOSA-N 307.357 2.222 0 40 DEAB CCO[C@@H](C)c1noc(CN(CCOC)Cc2ccco2)n1 71914906 NGWDAYMDIQZWJE-LBPRGKRZSA-N 309.366 2.409 0 40 DEAB O=S(=O)(Cc1ccccc1F)NCC[C@@H](O)c1ccccc1 95433285 DXUHSLNNTITWMP-MRXNPFEDSA-N 323.389 2.369 0 40 DEAB CCN1CCOC[C@@H]1C(=O)OCc1ccc(OC(F)F)cc1 95454601 HCUMABKTZXRNDE-CYBMUJFWSA-N 315.316 2.052 0 40 DEAB CC[C@@H]1COCCN1C(=O)N[C@H](C)[C@@H]1COc2ccccc21 95438196 ZSSCUNUTNLXJKM-NFAWXSAZSA-N 304.390 2.372 0 40 DEAB CCC(=O)N1CC[C@@H](NC(=O)Nc2ncc(CC(C)C)s2)C1 95416973 MSMHETCZFBRNBW-LLVKDONJSA-N 324.450 2.474 0 40 DEAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc(C)c(C)c2=O)c1C 97082260 ACKDSZCDHSPTCU-INIZCTEOSA-N 316.401 2.225 0 40 DEAB CC(C)Oc1cccc(CC(=O)N[C@H]2CCc3nccn3C2)c1 72278744 KPPDGNPQWNMBCC-HNNXBMFYSA-N 313.401 2.344 0 40 DEAB Cn1cc(CC(=O)N(CCC(=O)O)C2CC2)c2ccccc21 95969862 HFHRJJOEMHRHBG-UHFFFAOYSA-N 300.358 2.187 0 40 DEAB CO[C@@H](CNC(=O)N1CCOC[C@H]1C)c1cccc(Cl)c1 74871686 AZGHTUUPKPWMQI-RISCZKNCSA-N 312.797 2.458 0 40 DEAB COc1ccc(CCN2CCC(N3CCN(C)C3=O)CC2)cc1 75604074 CZBLLMWTBZNBQJ-UHFFFAOYSA-N 317.433 2.070 0 40 DEAB O=C(O)c1c(I)ccnc1C(F)(F)F 66054828 LWOXHXRZXLYZBG-UHFFFAOYSA-N 317.004 2.403 0 40 DEAB O=c1cc(O)c2sc(SCCN3CCCCC3)nc2[nH]1 72408180 CYUXUSNDLNPRDQ-UHFFFAOYSA-N 311.432 2.268 0 40 DEAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1csnn1 71195609 OGNFTNUAHCGTBA-SNVBAGLBSA-N 305.407 2.297 0 40 DEAB COCC(=O)Nc1cc(Cl)ccc1Sc1nncn1C 32904936 OQTHLQMBKCFXMX-UHFFFAOYSA-N 312.782 2.205 0 40 DEAB CN(C)[C@H](CNC(=O)NCc1cccs1)c1cccn1C 38489726 JJCALFFNBJBIKO-CQSZACIVSA-N 306.435 2.189 0 40 DEAB C[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)c2cccnc2O1 189068869 RQXDMZNYQXKGAO-LBPRGKRZSA-N 321.340 2.090 0 40 DEAB O=C(CCc1ccccc1Cl)N[C@]1(C(=O)O)CCSC1 43509857 WSRBYXFESZKETQ-CQSZACIVSA-N 313.806 2.349 0 40 DEAB CSC[C@H](C)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F 79350199 SOTWKQVXNUKSDC-LKFCYVNXSA-N 303.374 2.288 0 40 DEAB COc1ccc(Cl)cc1C(=O)NCc1ccc(C(N)=O)cc1 36727677 NWWGZZHHBXEGSU-UHFFFAOYSA-N 318.760 2.378 0 40 DEAB O=S(=O)(NCC[C@H](O)c1ccco1)c1ccccc1Cl 77111631 QTPQYCPAGJOIFW-NSHDSACASA-N 315.778 2.335 0 40 DEAB CSCC[C@H]1CN2CCC[C@H]2CN1Cc1cn(C)nc1C 72325130 FIZGQUZGUHHMJT-HOTGVXAUSA-N 308.495 2.130 0 40 DEAB COC(=O)C1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1 42236641 LRIXDMQOSCNJKT-UHFFFAOYSA-N 305.374 2.499 0 40 DEAB CC1(C)C[C@@H](O)CCN(c2cc(N3CCCCC3)ncn2)C1 574398421 ZFDHTAGXLOBYBN-AWEZNQCLSA-N 304.438 2.454 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)n1 41122266 MHWUBBJBZPKTDJ-ZDUSSCGKSA-N 303.337 2.466 0 40 DEAB COC(=O)C(=O)CC(=O)c1cc(Cl)ccc1Br 199822410 WQOMVZNBGGJBAS-UHFFFAOYSA-N 319.538 2.417 0 40 DEAB O=C(NCCc1ccccn1)C(=O)Nc1cccc(Cl)c1 42645728 CDEMVXILLKIORE-UHFFFAOYSA-N 303.749 2.032 0 40 DEAB CN1CCCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 96402263 KTMLSZUWWLFIKB-UHFFFAOYSA-N 324.428 2.269 0 40 DEAB CN([C@H]1[C@@H]2CCO[C@@H]2C1(C)C)S(=O)(=O)c1cccs1 96419779 ROWPCBZKWBEWOS-DLOVCJGASA-N 301.433 2.182 0 40 DEAB COc1ccc(C(=O)N(C)c2cccc(C)c2)cc1-n1cnnn1 97237617 GKTNKMOWWQQIQO-UHFFFAOYSA-N 323.356 2.256 0 40 DEAB Cc1nc(N[C@@H]2CCCN(C(N)=O)C2)c2c(C)csc2n1 97096751 FKBKLASZKVFPMX-SNVBAGLBSA-N 305.407 2.263 0 40 DEAB Clc1cnccc1N1CCN(Cc2noc(C3CC3)n2)CC1 95408610 PQCDOZGIERZZRJ-UHFFFAOYSA-N 319.796 2.318 0 40 DEAB O=C(c1ccco1)N1CCC(S(=O)(=O)Cc2ccco2)CC1 96099491 MSQMILQCIOJTJR-UHFFFAOYSA-N 323.370 2.092 0 40 DEAB O=C(c1ccco1)N1CCC2(CC1)C[C@H](N1CCCC1)CO2 96047958 BYJWCXDBPDHOQA-AWEZNQCLSA-N 304.390 2.139 0 40 DEAB O=C(c1cnccn1)N1CCC(Oc2ncccc2Cl)CC1 96096884 XYAQEUIOPFGBTL-UHFFFAOYSA-N 318.764 2.209 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2cc(C(N)=O)cs2)C12CCCC2 96432460 XPVHHCJGHLNLRC-QWHCGFSZSA-N 322.430 2.315 0 40 DEAB CCn1nc(C)c(C(=O)OCc2ccc3nn[nH]c3c2)c1Cl 96441985 ZFSVRFMXTOZALH-UHFFFAOYSA-N 319.752 2.493 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 96494916 GAIXZCFOLKQEHR-CHHLVHLRSA-N 321.421 2.089 0 40 DEAB C[C@@H]1CC[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)O1 248725448 CSYUIERJZHNKDN-TXCZRRACSA-N 302.418 2.191 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)n1 257209715 BRPLAQSYYIIKCL-ZDUSSCGKSA-N 315.348 2.319 0 40 DEAB C[C@]1(O)CN(C(=O)c2ccncc2)CC[C@@H]1Oc1ccccc1 257285828 PJASHWNMJMBAKY-WMZOPIPTSA-N 312.369 2.126 0 40 DEAB Cc1nc(CN2C[C@H]3CC[C@@H](Oc4cccnc4C)[C@H]3C2)no1 257318544 VOISHXZLLXTYBL-IJEWVQPXSA-N 314.389 2.371 0 40 DEAB Cc1cc(N)cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)n1 257209983 BSQUSXOMNCJDKT-HNNXBMFYSA-N 317.414 2.176 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@]3(C)NCCC[C@@H]23)c1 257288615 PUYLDJREDLAWPV-AEFFLSMTSA-N 302.418 2.371 0 40 DEAB CCOC(=O)c1c(N)ncn1-c1ccc(Br)cc1 256050853 GSPXQFRMKHMEOI-UHFFFAOYSA-N 310.151 2.394 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)n1 257224099 FAHPMXYDAKPLAN-AWEZNQCLSA-N 323.400 2.474 0 40 DEAB CN(CCN)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 252517593 MEDSNDTYPPVGSY-HZPDHXFCSA-N 305.422 2.115 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)O)C2)cc1Cl 563081882 RYZLEYYQUUZKPO-VHSXEESVSA-N 317.794 2.180 0 40 DEAB COCC[C@H]1CN(C(=O)c2cscn2)Cc2cccn2C1 585094643 DLAUXXKATFMZOZ-GFCCVEGCSA-N 305.403 2.253 0 40 DEAB CN(C)CCN[C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O 585288942 BWMGMDVIBVJWRM-ARFHVFGLSA-N 312.841 2.152 0 40 DEAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)CCn1cncn1 48465074 KRJVXCUKURDXRC-CYBMUJFWSA-N 302.378 2.333 0 40 DEAB COC(=O)c1sc(-c2ccc(S(C)(=O)=O)cc2)nc1C 96403291 KYYUFRINUPVFMI-UHFFFAOYSA-N 311.384 2.309 0 40 DEAB Cc1cc(NC(=O)c2nccnc2N)ccc1Br 13013257 AVHSTPIJDDJDOW-UHFFFAOYSA-N 307.151 2.382 0 40 DEAB COC(CNCc1cc(Cl)c2c(c1)OCCCO2)OC 7736207 PUYVXBXXOMWKAX-UHFFFAOYSA-N 301.770 2.210 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(C)nn32)c(Cl)c1 16996109 UDYVUJWNUMVLED-NSHDSACASA-N 319.752 2.070 0 40 DEAB Cc1nnc(-c2ccc(C(=O)Nc3nnc4n3CCCC4)cc2)o1 162767328 VJMBJZFUZOTXMN-UHFFFAOYSA-N 324.344 2.225 0 40 DEAB Cc1ccc(O[C@@H]2CCCN(C(=O)c3scnc3C)C2)nn1 225464343 UVUYOQHIHDDYIZ-GFCCVEGCSA-N 318.402 2.234 0 40 DEAB CCOc1ccc(CNC(=O)c2ncnc3c2CCCC3)cn1 1888853574 GWZHNAAXJWWBQW-UHFFFAOYSA-N 312.373 2.079 0 40 DEAB Cc1ccc(-n2nnc3c(=O)n(Cc4ccccc4)cnc32)cc1 4266775 JUMSFTODOFACPS-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 4308323 RYQVDCPXXZZESX-UHFFFAOYSA-N 317.389 2.353 0 40 DEAB Nc1c(C(=O)N2CCCC2)sc(=S)n1C[C@@H]1CCCO1 12416093 AKOFEFOAMOJRGU-VIFPVBQESA-N 313.448 2.276 0 40 DEAB O=c1c(=O)n(-c2ccc(F)cc2)ccn1Cc1ccc(F)cc1 20488802 NNKAEDZIOWTXFN-UHFFFAOYSA-N 314.291 2.326 0 40 DEAB Cc1ccc2ncn(CC(=O)NCc3cccs3)c(=O)c2c1 40538864 HFXQWRAEYTVRLH-UHFFFAOYSA-N 313.382 2.083 0 40 DEAB Cc1nn2c(=O)cc(CN(C)CC3CCCCC3)nc2s1 40549410 OFWLIJKKGZRHQS-UHFFFAOYSA-N 306.435 2.472 0 40 DEAB Cn1c(C(=O)NCCNC(=O)c2ccccc2)cc2ccccc21 20732940 OBPONPIABCARHO-UHFFFAOYSA-N 321.380 2.338 0 40 DEAB COc1ccc2c(ccn2CCC(=O)N[C@H](C(=O)O)C(C)C)c1 20761120 QRJQBHYYOVKKQD-INIZCTEOSA-N 318.373 2.265 0 40 DEAB biogenic CC(C)C[C@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCC(O)CC1 101543211 FALKJTZQJJTFOV-CUSZFKRNSA-N 320.477 2.186 0 40 DEAB C[C@@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)[C@H]1CCCO1 52431069 CXWPKCLKDFQLPI-PRHODGIISA-N 319.386 2.295 0 40 DEAB Cn1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)n1 32836919 GVVJFFAZJNGMNN-UHFFFAOYSA-N 321.764 2.416 0 40 DEAB Cc1cnc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)s1 60392285 PYRSSYCNNZPAMF-LLVKDONJSA-N 307.375 2.438 0 40 DEAB CCc1nnc(NC(=O)c2nn(-c3ccccc3)nc2C)s1 91013 WAECUYWLFANIRE-UHFFFAOYSA-N 314.374 2.242 0 40 DEAB C[C@H](NC(=O)c1cc(C2CC2)[nH]n1)c1nnc2n1CCCCC2 29892470 BQRGVLZKJADPJY-JTQLQIEISA-N 314.393 2.096 0 40 DEAB Cc1ccc(CNC(=O)N(CCO)CC(F)(F)F)cc1F 32916646 OFPOPAFZTLSOQN-UHFFFAOYSA-N 308.275 2.200 0 40 DEAB O=C(CN1C(=O)C(=O)O/C1=C/c1ccccc1)Nc1ccccc1 1707479 QMSQXIAKTBAJII-LFIBNONCSA-N 322.320 2.009 0 40 DEAB O=C(CCc1cccc(F)c1)N1CC[C@](O)(C(F)(F)F)C1 78025748 CVVTWMCDXRHUOJ-CYBMUJFWSA-N 305.271 2.284 0 40 DEAB O=C(NCc1ccnc(OCc2ccccc2)c1)c1cc[nH]n1 53207180 MNXLLJFMPGZDSN-UHFFFAOYSA-N 308.341 2.314 0 40 DEAB C[C@@H]1CN(c2ccc(C(=O)O)cn2)CCN1C(=O)OC(C)(C)C 6744052 OLQYDWGOSNEFKE-LLVKDONJSA-N 321.377 2.225 0 40 DEAB NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 794308 JXFFOLICBJXIKG-CQSZACIVSA-N 310.353 2.104 0 40 DEAB O=c1c2cccn2cnn1Cc1csc(Br)c1 97165535 UYTDBCWPSPWYCO-UHFFFAOYSA-N 310.176 2.368 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1 23457478 FGBRVMLGYDYGMA-UHFFFAOYSA-N 320.389 2.394 0 40 DEAB Cc1ccc(N2N=C(C(=O)Nc3cccc(C)c3)NCC2=O)cc1 24647849 NUOMUAZLWLINOU-UHFFFAOYSA-N 322.368 2.192 0 40 DEAB COc1ccc(CNC(=O)COC(=O)c2cc(Cl)c[nH]2)cc1 25194758 HYGALWBWHPWEBH-UHFFFAOYSA-N 322.748 2.150 0 40 DEAB CCn1c(CNc2cc(C)nc3ncnn23)nc2ccccc21 57877599 UZMBAOSLLXZVSM-UHFFFAOYSA-N 307.361 2.414 0 40 DEAB Cc1ccc([C@H](C)NC(=O)CN2C(=O)CC(C)(C)C2=O)cc1C 58016318 RCPXJGKVGGQDDS-ZDUSSCGKSA-N 316.401 2.266 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1 100403914 CZWNOIFPSYXNRQ-ZQDZILKHSA-N 323.348 2.175 0 40 DEAB COc1cccnc1NC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 58202174 UVPIEPZMSYETLW-LBPRGKRZSA-N 319.405 2.313 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCC1 58314426 KXWOENVNJFLEJZ-CYBMUJFWSA-N 318.417 2.148 0 40 DEAB O=C(NC[C@@H](O)c1ccccc1)[C@@H](c1ccccc1)n1cccn1 58401340 NZZWASIBTHZLBC-QZTJIDSGSA-N 321.380 2.322 0 40 DEAB O=C(Nc1ccc(N2CCNC2=O)cc1)OCC(F)(F)F 48236126 GCNOFRCKNCHAKP-UHFFFAOYSA-N 303.240 2.327 0 40 DEAB CC1(C)NC(=O)N(CCN2CCC[C@H]2c2ccsc2)C1=O 48299842 JUAKFCHVEVETFC-LBPRGKRZSA-N 307.419 2.215 0 40 DEAB Cc1cc(C(=O)N2CCC(NC(=O)c3ccccc3)CC2)on1 10782199 JZZQKXJDWHFNSN-UHFFFAOYSA-N 313.357 2.018 0 40 DEAB O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1ccccc1 36594939 NRFSWJNCWWPUMO-OAHLLOKOSA-N 323.352 2.156 0 40 DEAB CS(=O)(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1 11362453 UQHJEZLPTDMOBQ-UHFFFAOYSA-N 308.334 2.450 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(N)=O 29389721 FHCVMWURTBLWCY-TZMCWYRMSA-N 321.421 2.264 0 40 DEAB CCN(CC)C(=O)N1CCN(c2ncnc3ccsc23)CC1 29588852 XLYKSGRRIHVCFF-UHFFFAOYSA-N 319.434 2.275 0 40 DEAB Cc1noc(CSc2nnc(NC[C@H]3CCCO3)s2)n1 12819663 DLGRWIGMIPPDGI-MRVPVSSYSA-N 313.408 2.113 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CC=C(c2ccccc2)CC1 8777712 WMIGVSAYVOUNSN-CYBMUJFWSA-N 324.432 2.370 0 40 DEAB CSc1ccccc1C(=O)N1CCN(c2ncccn2)CC1 3603550 HKIZYNHVHNRPKG-UHFFFAOYSA-N 314.414 2.161 0 40 DEAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)NOCc1ccccc1 49244679 FCDVTUOKRIBNAG-HNNXBMFYSA-N 322.311 2.429 0 40 DEAB Cc1cnc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cn1 6348942 JCYGJGVZKPWTGG-UHTWSYAYSA-N 305.378 2.025 0 40 DEAB NC(=O)CNC(=O)c1ccccc1OCc1ccccc1Cl 65562761 VYAFUQXGRQXIRS-UHFFFAOYSA-N 318.760 2.134 0 40 DEAB Nc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n[nH]1 6607110 INSFLSVMAMEEAD-UHFFFAOYSA-N 318.189 2.425 0 40 DEAB C[C@@H](NC(=O)CSc1ncccn1)c1ccc2c(c1)OCO2 6913870 YLWFPTHBVLNNID-SNVBAGLBSA-N 317.370 2.175 0 40 DEAB COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 8216251 QYHDGRTWZFIIIR-HNNXBMFYSA-N 324.380 2.365 0 40 DEAB Cc1cc(C)n2nc(C(=O)NCc3cc4ccccc4o3)nc2n1 69419561 PJCGSPPOECQOJP-UHFFFAOYSA-N 321.340 2.417 0 40 DEAB COc1ccc(CN2C[C@H](C(=O)N[C@@H](C)C(C)C)CC2=O)cc1 69416354 NDEUSFBONLRLNH-DZGCQCFKSA-N 318.417 2.204 0 40 DEAB COc1ncccc1C(=O)NCCc1nc2c(s1)CCCC2 69596384 DQIVTDWDHLVKQO-UHFFFAOYSA-N 317.414 2.398 0 40 DEAB COc1ccc(Cl)cc1NC(=O)CCN1CCC[C@H]1CO 69705579 JMBQZXGDOQBVHF-LBPRGKRZSA-N 312.797 2.134 0 40 DEAB CC(C)(C)OC(=O)NC[C@@H](COCc1ccccc1)C(=O)O 71745707 OKHSAIMUACRCDK-ZDUSSCGKSA-N 309.362 2.429 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)n[nH]1 84110437 PIWYQGDZRAPWQQ-CABCVRRESA-N 321.421 2.010 0 40 DEAB Cn1nc(C(=O)N2CCCC3(CCCCCC3)C2)ccc1=O 84303264 VSKZESKFISOZCI-UHFFFAOYSA-N 303.406 2.357 0 40 DEAB CC(C)CN1CC[C@@H](CNc2ccccc2S(C)(=O)=O)C1 84544254 XMBQJGJVCLCQBF-AWEZNQCLSA-N 310.463 2.480 0 40 DEAB COc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 84714893 PQCJAFHPGVNZHI-CXAGYDPISA-N 302.418 2.432 0 40 DEAB CCc1onc(C)c1NC(=O)C(=O)NCc1c(F)cccc1F 95442854 CRQSFWIBOJGQAM-UHFFFAOYSA-N 323.299 2.079 0 40 DEAB O=C(CN1CCO[C@H](c2cccc(O)c2)C1)NC1CCCCC1 95425138 MJSQMUZQXQZGSQ-KRWDZBQOSA-N 318.417 2.214 0 40 DEAB Cc1nn(C)c(Cl)c1CNC1CN(C(=O)OC(C)(C)C)C1 95409379 FRGUXHSBBBFGHB-UHFFFAOYSA-N 314.817 2.091 0 40 DEAB CN1Cc2cc(NS(=O)(=O)c3ccccc3)ccc2NC1=O 95578127 HMSVJVMCNPXKSX-UHFFFAOYSA-N 317.370 2.465 0 40 DEAB O=C1CN(Cc2noc(-c3ccsc3)n2)[C@H]2CCCC[C@@H]2N1 98019299 RDGCDRVPNKBGMW-RYUDHWBXSA-N 318.402 2.041 0 40 DEAB CN(C)S(=O)(=O)N1Cc2ccccc2-c2ccccc2C1 95952836 IVQLRMFUWMMJJG-UHFFFAOYSA-N 302.399 2.476 0 40 DEAB CCc1ccc(CCC(=O)N2CCOC[C@@H]2c2ncon2)cc1 95981329 REDGZSGPWNMTNB-OAHLLOKOSA-N 315.373 2.165 0 40 DEAB COCCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1 95958739 RBQUVNLWJSRIIG-UHFFFAOYSA-N 306.387 2.380 0 40 DEAB CN1CC[C@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 89375265 OAFQSVRBGNFXKJ-WBVHZDCISA-N 301.434 2.347 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)COc2ccc(F)cc2)c(=O)[nH]1 75121855 DWNYGPHWNAORAR-LLVKDONJSA-N 304.321 2.020 0 40 DEAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cccc2c1OCO2 89949048 SGDARMLJDCPRIZ-DZGCQCFKSA-N 304.390 2.152 0 40 DEAB COC(=O)c1c(NC(=O)CCc2cccs2)c(C)nn1C 72251545 CZTRNLBELOJVJK-UHFFFAOYSA-N 307.375 2.148 0 40 DEAB CC(C)N(C(=O)CN)[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79391133 XCNCNHFCRIYMRE-OLZOCXBDSA-N 313.442 2.018 0 40 DEAB CN(C(=O)Cc1ccc(F)cc1Cl)C1(C(N)=O)CCCC1 182388676 CPINDNXSWVHQBQ-UHFFFAOYSA-N 312.772 2.278 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)NCc1cccnc1N(C)C 67655063 PZAOMHNAGSWDMJ-UHFFFAOYSA-N 315.421 2.417 0 40 DEAB Cc1ccc(C)c(OCn2ccc(C(=O)N3CCOCC3)n2)c1 32647941 FBHQJHFLXBDCIS-UHFFFAOYSA-N 315.373 2.009 0 40 DEAB O=C(CCc1cncs1)Nc1cccc2c1CCNC2=O 516853694 GWGATQOTJLXGMH-UHFFFAOYSA-N 301.371 2.000 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C\Nc2ccccc2)C1=O 36636249 MTCOSCVPTAPEQT-FLIBITNWSA-N 306.343 2.198 0 40 DEAB COc1c(C)cnc(CN2CCC(C(=O)NC3CC3)CC2)c1C 67227138 XHUAHSBQVFTOET-UHFFFAOYSA-N 317.433 2.198 0 40 DEAB C[C@@H]1CN=C(N2CCN(C(=O)[C@@H](C)c3cccs3)CC2)S1 73118008 NVUJOYDARGLULW-NEPJUHHUSA-N 323.487 2.487 0 40 DEAB CN1CC[C@@H](CNc2ccccc2S(=O)(=O)C(F)(F)F)C1 37647639 LUJBVBMAGJPETR-JTQLQIEISA-N 322.352 2.344 0 40 DEAB N[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCN1 71186602 ZURJXUMOPDWDAQ-OALUTQOASA-N 322.408 2.421 0 40 DEAB COc1cccc(NC(=O)c2cc(NC(=O)C(C)C)n(C)n2)c1 46089034 BTZLJDMCBBKWJB-UHFFFAOYSA-N 316.361 2.276 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1cccnc1 222745984 GAGIOEIVGCLNIX-AWEZNQCLSA-N 311.385 2.135 0 40 DEAB Cc1noc(C)c1CN(C)[C@@H](C)C(=O)NCc1cccs1 80722340 GRSIBGFIPSOKNN-NSHDSACASA-N 307.419 2.490 0 40 DEAB c1ccc(-n2cc(CNCc3nnc4n3CCCCC4)cn2)cc1 61555852 YCBWUMOOTJYRJK-UHFFFAOYSA-N 322.416 2.480 0 40 DEAB COC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 225812008 FYLHVOPLTUCOJE-SNVBAGLBSA-N 323.780 2.474 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 44841712 YWVROVQPRLMAEP-QMMMGPOBSA-N 304.799 2.240 0 40 DEAB CCCCN1C(=O)C(C)=C(C)[C@@H]1N[C@H](CC(C)C)C(=O)OC 199417295 DTQJPBPYTTZHCH-HUUCEWRRSA-N 310.438 2.469 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(CC3CCCC3)C[C@H]2C1 96080972 YDEFBYREERBPKZ-KBPBESRZSA-N 305.447 2.337 0 40 DEAB O=C1C[C@]2(CCN(Cc3ccncc3)C2)CN1c1ccccn1 96239159 CEENCDMXDGQWQJ-SFHVURJKSA-N 308.385 2.106 0 40 DEAB COCOc1ccc(CNC(=O)OC(C)(C)C)cc1C(=O)O 98174880 ZZJSZSZTEAOCFP-UHFFFAOYSA-N 311.334 2.392 0 40 DEAB O=C(Cc1ccsc1)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 96200033 HMQVDRODNMYVCU-JKSUJKDBSA-N 301.411 2.495 0 40 DEAB O=C(NC[C@H]1OC[C@@H]2CCN(Cc3ccsc3)C[C@H]12)C1CC1 96185462 YWCKEDWJJQVKRI-HRCADAONSA-N 320.458 2.111 0 40 DEAB O=C(O)c1ccc(CCNC(=O)c2cccc3cn[nH]c23)cc1 96402419 JIUAAAUJCDCLOP-UHFFFAOYSA-N 309.325 2.234 0 40 DEAB Cn1c(C(=O)OC[C@@H]2CCCN2C(N)=O)cc(Cl)c1Cl 96442169 GLPYDGWXAARECX-ZETCQYMHSA-N 320.176 2.032 0 40 DEAB O=C1CC[C@@H](COC(=O)c2ccc(F)c(Br)c2)N1 96443996 UVPFINWHHHLQML-QMMMGPOBSA-N 316.126 2.024 0 40 DEAB CC(C)OC[C@H](O)CN1CCN([C@H](C)c2ccccc2F)CC1 97228759 GLVNZRGYBUMWCB-HZPDHXFCSA-N 324.440 2.290 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ccoc4C)C[C@H]3O2)no1 96070623 CWVNLAJEQIGBAZ-IACUBPJLSA-N 317.345 2.272 0 40 DEAB C[C@H](CNC(=O)c1cnc[nH]1)Oc1ccccc1Br 96451783 RTZCVWJYYSUDOF-SECBINFHSA-N 324.178 2.370 0 40 DEAB CSC(C)(C)CNC(=O)N1CCN(Cc2ccncc2)CC1 96489010 JFXITGVSADOIAY-UHFFFAOYSA-N 322.478 2.050 0 40 DEAB O=C(c1ccncc1)N1CCC(N[C@H]2CCCSC2)CC1 97371006 MFHDNRXTGKARBC-HNNXBMFYSA-N 305.447 2.171 0 40 DEAB CNc1ncnc2ncn(C[C@H](O)c3ccccc3Cl)c12 96407760 MSVFDLHLOSGJOL-NSHDSACASA-N 303.753 2.255 0 40 DEAB O=C(NCCn1ccc(C(F)(F)F)n1)NCc1cccs1 96099038 SPPPMNAIDDCTOA-UHFFFAOYSA-N 318.324 2.463 0 40 DEAB CCN(C[C@@H]1CCN(C(=O)c2ccncc2)C1)CC(F)(F)F 96448340 NYKIOFGTGJJTCZ-LBPRGKRZSA-N 315.339 2.428 0 40 DEAB CCc1ccc([C@@H](COC)NC(=O)c2ccc(C(N)=O)cc2)o1 96423860 KDKQQVYKHGJVMV-CQSZACIVSA-N 316.357 2.058 0 40 DEAB Cc1nc(C(=O)N2CCOC[C@H](Cc3ccccc3)C2)co1 257281653 OQIJRIPJSMPJKC-OAHLLOKOSA-N 300.358 2.314 0 40 DEAB C[C@@H](OCc1ccccc1)C(=O)NCc1cccnc1N(C)C 43056829 WSTXXSHGQHIELN-CQSZACIVSA-N 313.401 2.369 0 40 DEAB Cc1cc(OCC(=O)O)ccc1NC(=O)[C@H](C)C1CCOCC1 263314537 YNEGNHOYJNVWKS-GFCCVEGCSA-N 321.373 2.460 0 40 DEAB COCC[C@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 575404692 UMMVZWNNMQPRQY-AWEZNQCLSA-N 314.385 2.436 0 40 DEAB CNC(=O)C[C@H]1CN(Cc2cc(C)ccc2C)Cc2ccnn21 585113108 ZWKPHKDCAPIGCA-KRWDZBQOSA-N 312.417 2.193 0 40 DEAB CO[C@]1(COc2ccccc2C)CCN(C(=O)c2cnoc2)C1 585275109 XAAKSERYUPFYEM-QGZVFWFLSA-N 316.357 2.293 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1Cn1cccn1 69920282 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322.324 2.306 0 40 DEAB COC[C@H](C)N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O 8235022 HRCZRYQDOMBGHH-QWRGUYRKSA-N 310.781 2.162 0 40 DEAB O=C(Cc1nc(-c2ccc(F)c(F)c2)cs1)N1CCOCC1 8297755 MCUYEOKYQZZOHQ-UHFFFAOYSA-N 324.352 2.490 0 40 DEAB Cc1ccoc1-c1nnc(CN2CCC[C@H]2Cn2cccn2)o1 70016612 RLNBWPHEPONNSY-ZDUSSCGKSA-N 313.361 2.499 0 40 DEAB Cc1cc(C)n(C[C@H]2CN(c3ncnc4ccccc34)CCO2)n1 69349664 ONXJJBHTJMRHAW-OAHLLOKOSA-N 323.400 2.349 0 40 DEAB Cc1cccc(NC(=O)CCNc2nc(N)c3ccccc3n2)n1 91463299 TWRBHYSXZJXEQF-UHFFFAOYSA-N 322.372 2.356 0 40 DEAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)C1CCCC1 97082194 QUGICRZCUIDFIP-SFHVURJKSA-N 316.445 2.450 0 40 DEAB CN(Cc1cc(=O)n2ccsc2n1)C1Cc2ccccc2C1 69418303 IWTTYBWWQYWPRS-UHFFFAOYSA-N 311.410 2.355 0 40 DEAB CSCCc1c(-c2ccccc2)ncn1CC[C@H](O)C(=O)O 91738193 WXMBXWHGZMFPMM-AWEZNQCLSA-N 320.414 2.291 0 40 DEAB C[C@H](CC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1)C1CC1 69632235 HHQVUXJQNIHZJY-QAPCUYQASA-N 316.445 2.300 0 40 DEAB CC(C)n1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cn1 96433490 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CC(=O)NC(=S)Nc1ccc(Cc2c(C)n[nH]c2C)cc1 14257526 NZBFVPLYSLIPLL-UHFFFAOYSA-N 302.403 2.450 0 40 DEAB Cc1cccc(N2CCN(c3nnnn3-c3ccccc3)CC2)c1 16738931 HSFZBEJTMFMBJE-UHFFFAOYSA-N 320.400 2.297 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)o2)n1 18044233 MPZOUPBCLANDEU-OKILXGFUSA-N 317.389 2.391 0 40 DEAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)N3CCCCCC3)C2)o1 19748098 YISGLDUNHKNCLS-AWEZNQCLSA-N 319.405 2.156 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N[C@@H]1CCn2ccnc2C1 548311613 IUVIVIXBEQXTNI-OAHLLOKOSA-N 308.385 2.277 0 40 DEAB Clc1cnc(N2CC[C@H]3CN(c4ccccn4)C[C@@H]32)nc1 1889082792 YXCHIBHNARUSME-AAEUAGOBSA-N 301.781 2.240 0 40 DEAB Cc1cc(COC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)on1 21858072 RACNJAASHJSNRD-GFCCVEGCSA-N 304.277 2.291 0 40 DEAB O=C(NCC1(O)CSCCSC1)c1cc2ccccc2[nH]1 1889088007 QIQMYXLDSGTMDM-UHFFFAOYSA-N 322.455 2.109 0 40 DEAB C[C@@H](C(=O)OCC(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 2061000642 DOJZLLNWERACBS-RISCZKNCSA-N 304.342 2.330 0 40 DEAB COc1cc(C(=O)N2CCC([C@@H]3CCCCN3C)CC2)on1 1565546073 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2.201 0 40 DEAB CNC(=O)c1ccc(NC(=O)Cn2c(C)nc3ccccc32)cc1 7200629 BEEAYNBFEVVJFA-UHFFFAOYSA-N 322.368 2.343 0 40 DEAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1sccc1C(N)=O 7587779 VBCRKFYJKKULET-JTQLQIEISA-N 315.398 2.237 0 40 DEAB CCCCCNS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 7667609 BENMVFOODZCFRG-UHFFFAOYSA-N 314.407 2.122 0 40 DEAB CC(=O)CCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 8389581 GTJDWXPINHEHCK-UHFFFAOYSA-N 322.364 2.461 0 40 DEAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C=C[C@H]2O1 104572164 MGCKEBGGNHVPIC-BRXULGCHSA-N 303.745 2.481 0 40 DEAB O=C(N[C@@H]1CCCCNC1=O)c1cc(Cl)sc1Cl 42478275 QNDQVSGXJRMREC-SSDOTTSWSA-N 307.202 2.453 0 40 DEAB Cn1cccc1C(=O)COC(=O)c1cc(=O)c2ccccc2o1 23418843 DUQBJZAVDVHPJP-UHFFFAOYSA-N 311.293 2.171 0 40 DEAB Cc1nc(CC(=O)NCC(=O)Nc2c(C)cccc2C)cs1 24812692 ASSFVQGNJUYUHL-UHFFFAOYSA-N 317.414 2.366 0 40 DEAB Cc1ccc(-c2noc(CCCC(=O)O)n2)c(=O)n1C(C)C 22121605 WBAADCNZNTYPMG-UHFFFAOYSA-N 305.334 2.195 0 40 DEAB O=C(CN1CCc2cncnc2C1)N1CCC[C@@H]2CCCC[C@H]21 106666932 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7122446 YUHXQFXRUUCNBT-LLVKDONJSA-N 316.357 2.094 0 40 DEAB CCO[C@H]1C[C@H]1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 67524144 JLQZYYOPMGKPCS-CJNGLKHVSA-N 317.364 2.361 0 40 DEAB O=c1cc(CSc2nnc(C3CC3)o2)nc2sccn12 7288920 KHRODQDVIYKRBB-UHFFFAOYSA-N 306.372 2.309 0 40 DEAB CN1CCN(C[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 68024742 QVDCISQSJCURRM-LJQANCHMSA-N 323.440 2.405 0 40 DEAB CNC(=O)[C@@H]1CN(C(=O)CCc2ccccc2)c2ccccc2O1 7825745 FQPHBGFSXXDKIC-KRWDZBQOSA-N 324.380 2.159 0 40 DEAB Cc1cc(NC(=O)NCc2ccc(C3OCCO3)cc2)n(C)n1 69216191 FYJJAQFNEOXYKW-UHFFFAOYSA-N 316.361 2.096 0 40 DEAB CCc1nc(CN2c3cccc4cccc(c34)S2(=O)=O)no1 69415521 REROJSZMYNBNGQ-UHFFFAOYSA-N 315.354 2.494 0 40 DEAB CC(C)Oc1cccc(CN2CC(n3cc([C@H](C)O)nn3)C2)c1 96000060 NNYXNLWJIHONDO-ZDUSSCGKSA-N 316.405 2.176 0 40 DEAB Cc1nc2n(n1)C[C@H](Nc1ccnc(-c3ccccc3)n1)CC2 71803792 DXLXUMREFHJHDP-CQSZACIVSA-N 306.373 2.470 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2C(=O)COCC(F)(F)F)c1 71865909 CJVONNAYOBLDPI-LBPRGKRZSA-N 319.327 2.152 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 71883225 HZMWGXLWKZPRAD-NSHDSACASA-N 316.336 2.157 0 40 DEAB COc1cc2c(nn1)CCN(Cc1noc(-c3ccccc3)n1)C2 83925465 YINQZTSCWATGOW-UHFFFAOYSA-N 323.356 2.094 0 40 DEAB Cc1nc(CS(C)(=O)=O)sc1C(=O)Nc1ccccc1 84064401 JJKMPNRXSVJECD-UHFFFAOYSA-N 310.400 2.248 0 40 DEAB C[C@](N)(C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1)C1CC1 97049377 UOEKVXPCMCOXSA-GOEBONIOSA-N 308.809 2.447 0 40 DEAB Cc1ccsc1CNc1cc(N2CCC[C@@H]2CO)ncn1 72276085 NMLFBKYNWAKJRV-GFCCVEGCSA-N 304.419 2.420 0 40 DEAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@@H](c2ccn[nH]2)C1 72282757 YPKZQRMRXZVVIZ-HUUCEWRRSA-N 311.385 2.367 0 40 DEAB COC[C@@H](C)NC(=O)CCC(=O)N1CCSc2ccccc21 95389683 ZMSYIVJBMBDWHV-GFCCVEGCSA-N 322.430 2.057 0 40 DEAB CC[C@H](CNC(=O)NCc1noc(C)n1)Oc1cccc(F)c1 84642604 GABBWZDQQZENMX-GFCCVEGCSA-N 322.340 2.174 0 40 DEAB CC[C@@]1(C)NC(=O)N(CCCNc2ccncc2Cl)C1=O 95408614 YXMLCABHJAVZIN-CQSZACIVSA-N 310.785 2.258 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1C)CC2 95400740 ACJGJICGTYBTGR-CHWSQXEVSA-N 309.431 2.449 0 40 DEAB CN(c1ccc2nccnc2n1)[C@@H]1CCN(c2ccccc2)C1=O 95403246 CQWBIFIDIXRLSF-OAHLLOKOSA-N 319.368 2.267 0 40 DEAB CN(Cc1ccc(C(=O)O)cc1)C(=O)[C@@H]1Cc2ccccc2O1 95953026 PKBJJGYXUIFTAH-INIZCTEOSA-N 311.337 2.347 0 40 DEAB CC(C)c1cc(C(=O)N[C@H]2CCc3nnc(C(C)C)n3C2)on1 95959413 QCXRPOFIKBHHQX-NSHDSACASA-N 317.393 2.258 0 40 DEAB CC(C)c1cc(C(=O)N[C@@H]2CCc3nnc(C(C)C)n3C2)on1 95959412 QCXRPOFIKBHHQX-LLVKDONJSA-N 317.393 2.258 0 40 DEAB COc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 170343670 OHUGTNNENFLGCM-DOMZBBRYSA-N 304.390 2.006 0 40 DEAB C[C@H](CC(=O)N[C@@H]1CCN(C(N)=O)C1)Cc1ccc(Cl)cc1 89242256 ITFJBXTYQYTTKK-SMDDNHRTSA-N 323.824 2.178 0 40 DEAB CCOc1ccc2ccccc2c1[C@H]1CC(=O)N=C2N=CNN21 409375831 PSHKXHWCYAWZJK-CYBMUJFWSA-N 308.341 2.414 0 40 DEAB Cc1cccc(-c2cc(CNC[C@H]3CCCO3)c3nnnn3c2)c1 72392684 NFGJGANBIMNZLG-QGZVFWFLSA-N 323.400 2.368 0 40 DEAB CCCCNC(=O)COc1nc(Cc2ccc(F)cc2)no1 79031587 LBIHVUKJZVKVNI-UHFFFAOYSA-N 307.325 2.095 0 40 DEAB Cc1ccc(NS(=O)(=O)c2cnn(-c3ccccn3)c2)cc1 72238956 SLRZXOIAHWABKC-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB CC(C)(C)OC(=O)[C@H](C(=O)O)[C@H](N)Cc1ccc(Cl)cc1 71610392 LPSNCGHXVRQVMP-NEPJUHHUSA-N 313.781 2.252 0 40 DEAB CC(C)CNC(=O)N1CCC[C@H](C(=O)N[C@@H]2CC=CCC2)C1 78122178 YQESOKPRRJVNAL-LSDHHAIUSA-N 307.438 2.289 0 40 DEAB Cc1ccsc1[C@@H](O)CNC(=O)c1c(C)nc2ccccn12 77172078 AISYIVCNDBXENI-LBPRGKRZSA-N 315.398 2.476 0 40 DEAB Cc1cc(C(=O)O)c(=O)n(-c2ccccc2Br)n1 89263252 HTIPTQOLBHDELU-UHFFFAOYSA-N 309.119 2.002 0 40 DEAB O=C(Nc1cccc2cccnc12)c1ccc(-n2ccnc2)nn1 75163820 KQYIPSRSIVEPMR-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB Cn1nc(C(F)(F)F)cc1NC(=O)N[C@@]12C[C@H]1COC2(C)C 529130915 QOOZGIHRTKMTBO-MADCSZMMSA-N 318.299 2.128 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)nn1 572221980 CRUPKYCFIIJBBC-LBPRGKRZSA-N 316.336 2.003 0 40 DEAB O=C(c1cscn1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 96082788 SSPLUDZIMQAWEV-NWANDNLSSA-N 322.430 2.189 0 40 DEAB Cn1cc(CN2CC[C@@H]3CN(Cc4ccsc4)C[C@@H]3C2)cn1 96054165 XIZXAZKUEWJHDS-SJORKVTESA-N 316.474 2.436 0 40 DEAB CC1(C)CCCN[C@@H]1C(=O)NCc1ccc2c(c1)CCCN2 332513236 VVBSMEHPQWFJNC-MRXNPFEDSA-N 301.434 2.439 0 40 DEAB Cc1cccc(CN2CCc3c(CN4CCCC4)n[nH]c3C2)n1 96255857 GMDVTAGFCAXUBR-UHFFFAOYSA-N 311.433 2.267 0 40 DEAB O=S(=O)(CCn1cc(-n2cccc2)cn1)c1ccccc1 95438859 QAFNAFAKUQBUCU-UHFFFAOYSA-N 301.371 2.148 0 40 DEAB O=C(Cc1ccoc1)N1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 331574487 RDXWZRXGIIKLQN-SWLSCSKDSA-N 307.296 2.435 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)o1 96048588 OUKHOWTZQAKBOW-PBHICJAKSA-N 315.373 2.421 0 40 DEAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)cn1 96184593 BQSSKWVIGHJAIJ-JKSUJKDBSA-N 302.447 2.330 0 40 DEAB Cc1n[nH]c(-c2ccc(Cl)cc2)c1CC(=O)N1CCOCC1 96345484 DUQVXCJKDXHGIU-UHFFFAOYSA-N 319.792 2.440 0 40 DEAB CN(C)Cc1cncc2c1CCN(C(=O)Cc1cccs1)C2 248138326 SKHVFJXGFGUHJR-UHFFFAOYSA-N 315.442 2.332 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1cnccn1 257343279 ZSGMCZUQRWYHGP-HNNXBMFYSA-N 300.362 2.378 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc(C)on2)C[C@@H]1c1ccccc1 257281665 OQJQBFDUCOXTRN-MRXNPFEDSA-N 313.357 2.029 0 40 DEAB Cc1cnc([C@H]2CN(Cc3nc4ccccc4n3C)CCO2)cn1 257280620 OLPLUJXKKWCZNJ-QGZVFWFLSA-N 323.400 2.245 0 40 DEAB Cc1nc(O)cc([C@@H]2COCCN2Cc2sccc2C)n1 257247887 JAZWHUBSQIXAFT-ZDUSSCGKSA-N 305.403 2.434 0 40 DEAB CCn1nccc1-c1cc(C)nc([C@H]2CCCN(C(C)=O)C2)n1 257268488 MLWWHXWIQWICAM-AWEZNQCLSA-N 313.405 2.394 0 40 DEAB CN(C)C(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1 257289006 PWPFDBFCMLSUAS-SFHVURJKSA-N 310.401 2.056 0 40 DEAB O=C(O)c1cccc(NC2CCC(O)(c3cccnc3)CC2)n1 262969461 BAOIFAJWOWYXKY-UHFFFAOYSA-N 313.357 2.417 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403452 LCKHXAGIDAGRSK-CQSZACIVSA-N 304.415 2.347 0 40 DEAB CC(C)CN1CCc2oc(C(=O)N[C@@H]3CC[C@@H](F)C3)nc2C1 585112273 OAAFKWOSIYJRQR-VXGBXAGGSA-N 309.385 2.309 0 40 DEAB CCOC(=O)c1cn(Cc2ccccc2)nc1C(=O)OCC 675031775 NAAVVRNMLDPSMH-UHFFFAOYSA-N 302.330 2.285 0 40 DEAB Fc1cc(CNC2CCN(C3CC3)CC2)ccc1-n1cncn1 55472574 HJJUAYTVFNCWTH-UHFFFAOYSA-N 315.396 2.123 0 40 DEAB Cc1nc(CCSc2nnnn2-c2ccc(O)cc2)cs1 95981495 DIJTZAVMMSBCQE-UHFFFAOYSA-N 319.415 2.468 0 40 DEAB CC(=O)CC[C@@]1(c2cc[n+](C)cc2)CC[C@](C)(O)[C@H](C(C)=O)C1 5125316 HIKLFVACCNRXKO-GBESFXJTSA-N 318.437 2.258 0 40 DEAB COC(=O)c1cc(C)sc1NC(=O)N1[C@@H](C)COC[C@H]1C 17032486 MBFHBEROBZTTDS-DTORHVGOSA-N 312.391 2.484 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCOC[C@H]1c1cccn1C 163985229 BQBGQLOENKPLHX-ABAIWWIYSA-N 317.389 2.334 0 40 DEAB CN(C)c1nccc(CNC(=O)Cc2ccc(Cl)cc2)n1 207980211 WJKQGVYXNDHNFH-UHFFFAOYSA-N 304.781 2.055 0 40 DEAB Cn1cncc1CN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 643914883 YJPMHQGVXGBSNM-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB Cc1csc(N2CCN(C(=O)Cc3csc(C)n3)CC2)n1 30704775 JAYSVUPNQXUAIZ-UHFFFAOYSA-N 322.459 2.108 0 40 DEAB O=C1COc2ccc(C(=O)OCC(=O)c3ccccc3)cc2N1 141801 MTXMYJOAUNEJJF-UHFFFAOYSA-N 311.293 2.057 0 40 DEAB COc1ccc(C2=N/C(=C/c3cccnc3)C(=O)O2)cc1OC 2694532 VQKPPWJEZADXST-MDWZMJQESA-N 310.309 2.443 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)C2CC2)CC1 38489945 SJBXEYOMCXCJOB-UHFFFAOYSA-N 314.838 2.263 0 40 DEAB CCOc1ccc2c(c1)C=C(C(=O)N1CCSCC1)CO2 40122314 OZUBLBAOVQDBFF-UHFFFAOYSA-N 305.399 2.437 0 40 DEAB c1csc(CN(Cc2nnnn2C2CC2)C[C@H]2CCCO2)c1 40497689 HKFWVMOKERTKTI-CYBMUJFWSA-N 319.434 2.251 0 40 DEAB Cc1ccn(C(=O)[C@H](C)S(C)(=O)=O)/c(=N/C2CCCCC2)c1 101098581 WUUAKIYWETZLHA-SXXBIRCQSA-N 324.446 2.103 0 40 DEAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)C1 51443386 DKAFCIYXHHHHQH-HNNXBMFYSA-N 317.433 2.131 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccncc1 69511844 MZPZXIBUFFKCDQ-SJORKVTESA-N 301.434 2.490 0 40 DEAB O=C(NCCc1ccccc1)[C@H]1CC(=O)N(C2CCCC2)C1 219856 GOVAFYBUQALZGK-HNNXBMFYSA-N 300.402 2.136 0 40 DEAB COc1ccc(C(=O)N(CCO)Cc2ccccc2)cc1OC 60618776 XNLSPFUBEJOYKR-UHFFFAOYSA-N 315.369 2.339 0 40 DEAB Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)oc1C 487665 QEGVJSOOOAAUNB-UONOGXRCSA-N 312.369 2.318 0 40 DEAB biogenic CN(C(=O)c1cscn1)[C@@H]1CCN(c2ccccc2F)C1=O 79002156 GYCCWWGMNSLYSO-CYBMUJFWSA-N 319.361 2.160 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)cc1 4347171 QKVLBDTVSNTDJH-TYNCELHUSA-N 320.414 2.136 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1OC 53383638 ZPVWYEBOPMQKCX-ZIAGYGMSSA-N 305.374 2.026 0 40 DEAB CCCNC(=O)CN1C(=O)S/C(=C\C=C\c2ccco2)C1=O 6879572 PZIUWLSGTQCARK-FMVMLBDOSA-N 320.370 2.398 0 40 DEAB COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@H]1CCC(=O)C3 101213519 CDGFTOARGCEWKI-GLJUWKHASA-N 301.386 2.268 0 40 DEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N(C)C)nc1 22421541 DULZCHKYKRCAFA-BDJLRTHQSA-N 313.357 2.315 0 40 DEAB O=C(O)[C@H]1CCCN1c1nc(C2CC2)cc(C(F)(F)F)n1 12357719 JRKYPQASRSOLIZ-SECBINFHSA-N 301.268 2.426 0 40 DEAB Clc1snnc1CN1CCC(c2nnc3n2CCC3)CC1 47258354 ASGIDBRBQDFDEM-UHFFFAOYSA-N 324.841 2.109 0 40 DEAB COc1cc(C(=O)N(C)C[C@H](C)C(=O)O)cc(Cl)c1OC 42695254 LGYFBEWYKRLCGN-QMMMGPOBSA-N 315.753 2.150 0 40 DEAB Cn1ccnc1C1(O)C[C@H]2CC[C@H](C1)N2C(=O)c1cccs1 100128296 YARMONPEILTFNW-VXGBXAGGSA-N 317.414 2.136 0 40 DEAB O=S(=O)(CCN1CCc2ccccc2C1)Oc1ccccc1 24164352 DFFUPSRGNYSRML-UHFFFAOYSA-N 317.410 2.454 0 40 DEAB CCN1CCN(c2nc(C)c3c(n2)CC(C)(C)CC3=O)CC1 9287061 WNZJKYABXWEOSN-UHFFFAOYSA-N 302.422 2.082 0 40 DEAB O=C(CCSc1ccccc1F)NCc1nnc2n1CCC2 54904882 PMPDZEUIGQBLCJ-UHFFFAOYSA-N 320.393 2.162 0 40 DEAB CCc1nnc2n1C[C@H](NC(=O)CCCc1cccs1)CC2 97198865 PTPOYMZJHMYGAU-GFCCVEGCSA-N 318.446 2.356 0 40 DEAB CN(C(=O)[C@@H](C1CC1)N1CCCC1)c1ccc2c(c1)CCO2 97135373 YEIHUHCKMNHAEX-QGZVFWFLSA-N 300.402 2.459 0 40 DEAB CC(C)CNC(=O)[C@@H]1C[C@H]2CN(CCc3ccccc3)C[C@H]1O2 107263556 JQKJITRWQNBAFC-RCCFBDPRSA-N 316.445 2.091 0 40 DEAB O=C1Cn2c(c(-c3nc4ccccc4[nH]3)c(=O)c3ccccc32)N1 12535226 MBDQFINGUVVKLF-UHFFFAOYSA-N 316.320 2.497 0 40 DEAB CCN(CC)C(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 58927393 UQKDIMOXWBOOGU-UHFFFAOYSA-N 318.417 2.416 0 40 DEAB CCc1nn2c(=O)cc(CN(CC)C3CCCC3)nc2s1 47966778 DHNBCFPLQMNNAJ-UHFFFAOYSA-N 306.435 2.478 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1 72300368 FPBLAGZJDHSHDB-CYBMUJFWSA-N 317.393 2.316 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)CN2C(=O)CC(C)(C)C2=O)cc1C 58016315 RCPXJGKVGGQDDS-CYBMUJFWSA-N 316.401 2.266 0 40 DEAB COc1ccccc1N1CC[C@@H](CNc2ncnc3[nH]cnc23)C1 58182878 WWCQPOGHOJSCOI-LBPRGKRZSA-N 324.388 2.300 0 40 DEAB Cc1ccc(CN(C)C(=O)c2cccc(N3CCNC3=O)c2)o1 44936365 JUTZDBWYGTVJLX-UHFFFAOYSA-N 313.357 2.390 0 40 DEAB O=C(Cn1ccc2ccccc21)N[C@@H](Cc1ccccc1)C(=O)O 36369896 SNHIZCXHYYBOCS-INIZCTEOSA-N 322.364 2.453 0 40 DEAB biogenic CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N1CCN(C)CC1 27975840 GPSGEDHRRJKPEH-QGZVFWFLSA-N 302.418 2.107 0 40 DEAB O=C(CCS(=O)(=O)Cc1cccc(F)c1)N1CCCCC1 58934793 DCGNXDZHDRAYEA-UHFFFAOYSA-N 313.394 2.143 0 40 DEAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)c1cnccn1 11145077 QEZMGYALTSVRIV-UHFFFAOYSA-N 322.324 2.252 0 40 DEAB COC(=O)CCCCNC(=O)c1cc(-c2cccs2)on1 60126486 SBMAHDKBGIZATJ-UHFFFAOYSA-N 308.359 2.476 0 40 DEAB COCCCNC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 48364737 SPUMPACUWAYCLC-UHFFFAOYSA-N 318.339 2.290 0 40 DEAB COC(=O)c1ccc(CNC(=O)NCCCOC(C)C)cc1 12885549 BFPFSGIVBQQWQY-UHFFFAOYSA-N 308.378 2.088 0 40 DEAB CC1(C)CC(=O)c2c(O)cc(OCC(=O)N3CCCC3)cc2O1 8764343 PJTWXMLDOFUZNX-UHFFFAOYSA-N 319.357 2.137 0 40 DEAB biogenic O=C(NC[C@H]1CCCO1)c1cc(Br)ccc1O 12939824 VFWJIGLIFHHFNX-SECBINFHSA-N 300.152 2.064 0 40 DEAB CCN(CC)C(=O)CN(C)CC(=O)Nc1ccccc1Cl 13095737 LGHFKAYEGSDMHL-UHFFFAOYSA-N 311.813 2.079 0 40 DEAB Cc1ccc(O)c(-c2cc(C(=O)NCc3ccncc3)n[nH]2)c1 18176675 NCAGVSHCBONDJT-UHFFFAOYSA-N 308.341 2.416 0 40 DEAB CCc1nnc2n1C[C@@H](N[C@H](C)c1nc(C(C)C)no1)CC2 65457778 FQYVCBUAVWAASS-MNOVXSKESA-N 304.398 2.013 0 40 DEAB COc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cn1 65576647 UXWZLHRIRYCVEI-ZDUSSCGKSA-N 305.309 2.084 0 40 DEAB CC(C)(NCC(=O)NC1CCCC1)c1ccc2c(c1)OCO2 65609888 IVEKWJYCWRPWDF-UHFFFAOYSA-N 304.390 2.299 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H]2CCc3ccccc3N2)s1 65606601 FPUBYRRQZWYAGL-NSHDSACASA-N 303.391 2.395 0 40 DEAB O=C(NC1CCCC1)[C@@H]1CCCN1C(=O)OCC(F)(F)F 65626650 GDDAQUIWQPYWJH-JTQLQIEISA-N 308.300 2.209 0 40 DEAB Cc1nc(S[C@H](C)C(=O)NC(N)=O)c2c(C)c(C)sc2n1 5429003 VDUAHBHNLGNUNK-SSDOTTSWSA-N 324.431 2.292 0 40 DEAB COc1ccc(COC[C@@H](O)CN2CCC[C@@H](C)C2)cc1OC 7982378 DCEWLIMBAGLBFQ-ZBFHGGJFSA-N 323.433 2.313 0 40 DEAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c1 8258685 HXDHPGDJFFEHHI-GFCCVEGCSA-N 314.341 2.079 0 40 DEAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)N2CCCC2)cc1 8282726 LCTVTOWZBPOYAE-GFCCVEGCSA-N 317.418 2.074 0 40 DEAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c1 8258709 XRIHBYVTJHKYEM-GFCCVEGCSA-N 314.341 2.426 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@@H](n3ccnc3)C2)n1 70018004 DDJXFXDBPBUTRX-CYBMUJFWSA-N 317.393 2.186 0 40 DEAB CC(C)(C)NC(=O)COC(=O)c1c[nH]nc1-c1ccc(F)cc1 9335807 GYBMKHCYDBWMQG-UHFFFAOYSA-N 319.336 2.287 0 40 DEAB Cc1nccn1CCCNC(=O)NCCOc1ccc(F)cc1 69488688 FAINDJMDEBATTI-UHFFFAOYSA-N 320.368 2.099 0 40 DEAB COc1ccc([C@@H](NC(=O)c2cccn(C)c2=O)C2CC2)cc1 69417853 MPAPCFPZTPPXER-INIZCTEOSA-N 312.369 2.275 0 40 DEAB C[C@H](Sc1ncnc2nc[nH]c12)c1nc2ccccc2c(=O)[nH]1 71905432 MZFQBKDOUJTZLJ-QMMMGPOBSA-N 324.369 2.443 0 40 DEAB COC(=O)Cn1ncc2c(N3CCc4ccc(C)cc43)ncnc21 71909833 WZWRKTSUIWHHBE-UHFFFAOYSA-N 323.356 2.002 0 40 DEAB COc1cc(Cl)ccc1C(=O)OC[C@H]1CCCN1C(N)=O 71913660 XZKYKLQMVLVKRU-SNVBAGLBSA-N 312.753 2.049 0 40 DEAB CC(C)Cc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)cc(=O)[nH]1 97045173 BKTHABGTNZLDKY-XJKSGUPXSA-N 319.449 2.128 0 40 DEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N[C@@H]1CCc2c(F)cccc21 72276878 LFIJDXMTEXUNBM-ZIBATOQPSA-N 321.396 2.415 0 40 DEAB O=C(c1ccccc1Cl)N1CCN([C@@H]2CCC[C@H]2O)CC1 72235827 MHRNGESLAWLLOA-HUUCEWRRSA-N 308.809 2.011 0 40 DEAB Cc1cc(C)nc(NCCCC(=O)NCCc2ccncc2)n1 95478668 IRQKSOKYNRTCFY-UHFFFAOYSA-N 313.405 2.039 0 40 DEAB COc1ccc([C@H](C)[C@H](C)NCC2(C(N)=O)CCOCC2)cc1 95420236 YBHHQYDNVRTGEF-KGLIPLIRSA-N 320.433 2.059 0 40 DEAB CN(C)C1CCN(S(=O)(=O)c2cc3ccccc3o2)CC1 84936562 ZONJMZUFQASFOM-UHFFFAOYSA-N 308.403 2.148 0 40 DEAB CC1(C)C[C@H](NC(=O)NCCOCC(F)(F)F)C(C)(C)O1 95994906 YCKANNRACXNKSK-VIFPVBQESA-N 312.332 2.211 0 40 DEAB CC[C@H](C)Oc1cc(C(=O)N2CCc3[nH]ncc3C2)ccn1 95991756 MNWICVRYUANWSQ-NSHDSACASA-N 300.362 2.181 0 40 DEAB COC(=O)N1CCC(NC(=O)N(C[C@@H]2C[C@H]2C)C(C)C)CC1 95962783 NRGNWVMSYZJWQD-OLZOCXBDSA-N 311.426 2.293 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)[C@H](C)Cc1c(C)n[nH]c1C 89689180 AVSLZZAUEQXAAV-SJKOYZFVSA-N 315.417 2.363 0 40 DEAB Cc1ncc(CNC(=O)c2cccnc2OCC(F)F)s1 89772633 GPBWJZLRRSBDJP-UHFFFAOYSA-N 313.329 2.420 0 40 DEAB C[C@](O)(CC(=O)NCCc1nc(C(F)(F)F)cs1)C1CC1 89894537 RFNFHCIQKMINJY-LBPRGKRZSA-N 322.352 2.372 0 40 DEAB CC[C@H](C(=O)N[C@H](C)[C@@H]1COc2ccccc21)N1CCCC1=O 89941867 IPWCAHVUCOFXFU-VHDGCEQUSA-N 316.401 2.068 0 40 DEAB COCC[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 306132514 LLEAVAJJNBVBCW-SFHVURJKSA-N 315.417 2.493 0 40 DEAB CCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1OCC 31800817 YALBXSFDTZKHAG-UHFFFAOYSA-N 310.375 2.226 0 40 DEAB CO[C@H]1C[C@@H](N(C)c2ncnc3c2nnn3C(C)C)C12CCC2 1550625853 RSCSECGXPIAMFY-NEPJUHHUSA-N 316.409 2.196 0 40 DEAB CC(C)Nc1ncc(CN[C@H](Cc2ccccc2)C(=O)O)cn1 218759210 XBOCLTGISLVFMU-OAHLLOKOSA-N 314.389 2.082 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2ccncc2)nc(N2CCCC2)n1 72239865 MPYTYEAFFADVIK-CYBMUJFWSA-N 311.389 2.271 0 40 DEAB COc1nc(C(=O)O)c(Br)cc1Br 71256515 UWSFKQBIGPGVLP-UHFFFAOYSA-N 310.929 2.313 0 40 DEAB CCN(CC)CCCNC(=O)c1ccc(Cn2cccn2)cc1 32611303 SKOSWTDDWISSSF-UHFFFAOYSA-N 314.433 2.393 0 40 DEAB CCC(=O)N1CCC[C@@H]1c1nc(C)cc(Nc2ncccn2)n1 72383805 RRLMHQUTBYQPAV-GFCCVEGCSA-N 312.377 2.392 0 40 DEAB CCCCCCNC(=O)C(=O)Nc1cc(OC)ccc1OC 42646630 KMSLDOKJVQWRPM-UHFFFAOYSA-N 308.378 2.339 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccc(F)cc1F 224199689 UHFGKCUYYMPAMN-UHFFFAOYSA-N 318.327 2.285 0 40 DEAB Cc1cc(N)cc(Br)c1N1CCC[C@H](C(N)=O)C1 226755569 DSZREBUHXWSJQD-VIFPVBQESA-N 312.211 2.041 0 40 DEAB Cc1nc(C(=O)N(C)CCCN(C)Cc2ccncc2)c(C)o1 572028171 CAHXZMWAIUHXFM-UHFFFAOYSA-N 316.405 2.281 0 40 DEAB O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1CC[C@@H](c2nc[nH]n2)C1 529506302 KWJWEXJSEDGFNO-BPLDGKMQSA-N 314.364 2.454 0 40 DEAB COC(=O)C[C@H](NC(=O)c1ccc(Br)o1)C1CC1 84823466 RZORVGRFYYTDNG-QMMMGPOBSA-N 316.151 2.114 0 40 DEAB CC(C)[C@H](NS(=O)(=O)CC[C@@H]1CCCO1)c1ccccn1 96472670 HMWNOCHWDXAINU-ZFWWWQNUSA-N 312.435 2.267 0 40 DEAB Cc1cccc([C@H]2CCCCN2C(=O)[C@H](C)NC(N)=O)c1C 96431883 KVMNENJROWVKCH-DZGCQCFKSA-N 303.406 2.414 0 40 DEAB O=C([C@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21)N1CCCC1 96041148 ZBTWXTHTPWRENF-OKZBNKHCSA-N 314.429 2.146 0 40 DEAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc2c(c1)OCO2 96041971 NSMQGIAJFPWSTI-JLJPHGGASA-N 305.374 2.184 0 40 DEAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@H](O)[C@@H]1Cc1cccnc1 96200458 DAQHHUNMJUIVQT-ROUUACIJSA-N 321.380 2.381 0 40 DEAB COC[C@@H]1CN(Cc2ccccc2OC)Cc2ncn(C)c21 96044788 XMCYQFFRURANDN-AWEZNQCLSA-N 301.390 2.175 0 40 DEAB C[C@H](Cc1ccsc1)NS(=O)(=O)CC[C@H]1CCCO1 96472495 MMOCFVBJKBBQDI-DGCLKSJQSA-N 303.449 2.168 0 40 DEAB CNC(=O)Nc1cccc(NC(=O)CN2CCC(C)CC2)c1 95416398 QPXNDBOXFYJVOW-UHFFFAOYSA-N 304.394 2.108 0 40 DEAB CN(C)C(=O)N[C@@H]1COC2(CCN(Cc3ccccc3)CC2)C1 96224809 XFGYJVQBSHKLKL-INIZCTEOSA-N 317.433 2.081 0 40 DEAB CN(C)C[C@H]1CO[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 96228336 PSICWPXMWHJSOJ-PKOBYXMFSA-N 316.445 2.188 0 40 DEAB CCSc1cncc(N2CCC[C@H](CN3CCOCC3)C2)n1 96429493 HIPSQPGDWPQMHK-CQSZACIVSA-N 322.478 2.137 0 40 DEAB C[C@]12C[C@@H](Cc3ccccc3)N(CCO)[C@H]1CCCCC(=O)N2 257309432 UAXGBQKUKQCKJK-AOIWGVFYSA-N 316.445 2.113 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 257208920 BOBQFYCRRWURNV-ZDUSSCGKSA-N 305.403 2.286 0 40 DEAB C[C@H](C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1)S(C)(=O)=O 252477707 UJXUGOZKPUXPST-KBMXLJTQSA-N 323.458 2.337 0 40 DEAB CC(C)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O 257305218 SOXZQCCMQFERHZ-CVEARBPZSA-N 302.418 2.099 0 40 DEAB Cc1nc(C(=O)N2CC[C@@](C(=O)O)(C(F)(F)F)C2)c(C)s1 263039219 PDAFGQRZHJVJMV-LLVKDONJSA-N 322.308 2.239 0 40 DEAB COc1cnc(NC(=O)N2CCO[C@H](c3ccccc3)C2)nc1 283893263 JDUXLVVRIHUBIN-AWEZNQCLSA-N 314.345 2.091 0 40 DEAB CN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1ccccc1)C2 585102810 IJQZSYIEUCLEQW-VQIMIIECSA-N 314.429 2.336 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(C(=O)c2cnoc2)C1 585275108 XAAKSERYUPFYEM-KRWDZBQOSA-N 316.357 2.293 0 40 DEAB CCc1ccc([C@@H](N[C@@H](C)C(=O)NC(=O)NC)C(C)C)cc1 57593922 KOYRWHSUFQKNHT-WFASDCNBSA-N 305.422 2.380 0 40 DEAB O=C(NC[C@@H](O)c1ccc2c(c1)OCCO2)c1cccc(F)c1 170213629 OPVHUOQVQVKLLI-CQSZACIVSA-N 317.316 2.060 0 40 DEAB O=C(Nc1cnn(-c2ncccn2)c1)N[C@H]1CCc2ccccc21 76092535 YJAWJNMQXGUERN-HNNXBMFYSA-N 320.356 2.471 0 40 DEAB C[C@@H](NCCc1cncn1C)[C@@H]1CCCN1C(=O)OC(C)(C)C 97164420 KLUJDJXYVWULPU-HIFRSBDPSA-N 322.453 2.340 0 40 DEAB c1cc2c(N3CC(N4CCc5sccc5C4)C3)ncnc2cn1 1776001464 UVJJASFXFGKSSZ-UHFFFAOYSA-N 323.425 2.333 0 40 DEAB CCOC(=O)c1c(NCCOC)c2cccc(C)c2[nH]c1=O 49001448 QVOKXKZKFWSQDV-UHFFFAOYSA-N 304.346 2.072 0 40 DEAB O=C(NCCc1cccs1)c1c(O)c2sccc2[nH]c1=O 49409568 UUWYPVBMHQXHSE-UHFFFAOYSA-N 320.395 2.329 0 40 DEAB CN(C)C(C)(C)CNC(=O)c1ccc2c(c1)NC(=O)CCS2 40457545 KNNCPXULKRMFRS-UHFFFAOYSA-N 321.446 2.191 0 40 DEAB COc1ccc2c(CN3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1 20609890 ZEXPJNALIUUXEL-RYUDHWBXSA-N 303.358 2.411 0 40 DEAB biogenic C[C@@H](NC(=O)CCn1cncn1)c1cccc(Br)c1 32796172 YQWMQDOYTDSOQD-SNVBAGLBSA-N 323.194 2.308 0 40 DEAB Cc1ccc(C(=O)NCc2ccccc2NS(C)(=O)=O)s1 32930704 XRQZSNHPAQHJFF-UHFFFAOYSA-N 324.427 2.358 0 40 DEAB CC[C@@H](O[C@H]1C=CC(=O)N(c2cc(Cl)ccc2C)N1)C(=O)O 32918631 IQOQNAPURKJVDX-OLZOCXBDSA-N 324.764 2.262 0 40 DEAB CC1(C)CCN(C(=O)C(=O)Nc2nc(C(C)(C)C)ns2)C1 76647522 XDYCOCIZTLLBKW-UHFFFAOYSA-N 310.423 2.033 0 40 DEAB CCC(=O)N1CC[C@H](NCc2cnc3cc(C)ccn23)[C@@H](C)C1 78897611 UZCZOMGKMSSBOO-HOCLYGCPSA-N 314.433 2.379 0 40 DEAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nnn(CC)n2)cc1 557655 OBSNZKJYOAUEEV-LLVKDONJSA-N 303.366 2.224 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)NC2CCCCC2)c(C)s1 6679999 OZARJUPHZBUHGR-UHFFFAOYSA-N 316.448 2.027 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)C[C@H](C)n1cccc1)C2 69742000 LUFNLXUOAMIAKF-ZDUSSCGKSA-N 301.394 2.197 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 42367702 FTLLTXUJWHKWGI-YGRLFVJLSA-N 305.765 2.045 0 40 DEAB Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(C(C)C)n1 24218788 CVAOYLJPLAAKLX-UHFFFAOYSA-N 314.389 2.464 0 40 DEAB CCOc1ncccc1C(=O)N[C@H]1CCCc2c1cnn2C 24992308 XVVGYETVVLPTSL-ZDUSSCGKSA-N 300.362 2.021 0 40 DEAB Cc1ccccc1OCCCC(=O)N[C@@H]1CCc2nccn2C1 97197416 SQQYGURDNATOLN-OAHLLOKOSA-N 313.401 2.482 0 40 DEAB CC(=O)Nc1ccc2c(c1)nc(CN(C)C(=O)NC(C)C)n2C 61720436 ZDZLCCQFAZQCAS-UHFFFAOYSA-N 317.393 2.082 0 40 DEAB COC(=O)c1n[nH]c2ccc(NC(=O)COC3CCCC3)cc12 56640283 XGKAMUFANPRHBG-UHFFFAOYSA-N 317.345 2.247 0 40 DEAB NC(=O)C1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 44268092 AIWRPKHSNNRUJI-UHFFFAOYSA-N 308.809 2.387 0 40 DEAB O=C(c1ccc(Br)cc1O)N1CCSCC1 44490526 ACQDUAAUBNKRSP-UHFFFAOYSA-N 302.193 2.344 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)c1ccnc(Cl)c1 44600852 USNRTGAJUXDNIX-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB CN(C)C(=O)N[C@@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 108533636 FQFGJBVLOPJMAB-CQSZACIVSA-N 321.421 2.064 0 40 DEAB O=C(Cn1cc(Cl)cn1)Nc1ccccc1N1CCCC1=O 58166164 OUGXAGPLBCXOGK-UHFFFAOYSA-N 318.764 2.302 0 40 DEAB O=c1oc(-c2ccco2)nn1Cc1ccn(-c2ccccc2)n1 58185178 WSLPXMDBFYYKQM-UHFFFAOYSA-N 308.297 2.330 0 40 DEAB CCCCn1nc(C(=O)N[C@@H]2CCc3ccccc32)ccc1=O 44891712 VRYJKWVFMJBILC-OAHLLOKOSA-N 311.385 2.461 0 40 DEAB COc1ccc([C@H](C)NC(=O)CN2CCSC2=O)c(OC)c1 44908990 QYWPWERETJSMEI-JTQLQIEISA-N 324.402 2.050 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 62118241 LCDYYBSYHVWXAB-VIFPVBQESA-N 303.236 2.132 0 40 DEAB O=C(NCc1cc[nH]n1)N1CCC(COC2CCCC2)CC1 44971569 SRKKDMCQUCVYBH-UHFFFAOYSA-N 306.410 2.291 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)N1CCC(c2ccnn2C)CC1 58329883 XAGKSOSGQLDBFF-NSHDSACASA-N 319.434 2.083 0 40 DEAB COc1c(CNC[C@H]2CCN(C)c3ccccc32)c(C)nn1C 58402104 NOJTWPHKTOVVAP-CQSZACIVSA-N 314.433 2.450 0 40 DEAB O=C(OCCN1CCCC1=O)c1cc(F)c(F)c(F)c1F 3305110 XEGWYDWVPSQQGU-UHFFFAOYSA-N 305.227 2.022 0 40 DEAB Cn1ncc2c(N3CCC([C@H](O)c4ccccc4)CC3)ncnc21 12787556 BUXVTDHSGZIBRK-MRXNPFEDSA-N 323.400 2.313 0 40 DEAB O=C(NCc1ccc(-n2cncn2)nc1)c1ccc2cc[nH]c2c1 48362782 KOIUDLDRSSIGFF-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB COc1ccc(CNC(=O)[C@@H](C)OC(=O)c2ccoc2C)cc1 12847024 GADFKVWRXIPITC-GFCCVEGCSA-N 317.341 2.458 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc[n+]([O-])cc1 3401798 YCDYIRLNKHSIFX-UHFFFAOYSA-N 310.309 2.149 0 40 DEAB CSc1ccc(C)c(C(=O)N2CCCC[C@@H]2CNC(N)=O)c1 69893635 NMTIDTZZPJROBX-GFCCVEGCSA-N 321.446 2.380 0 40 DEAB C[C@H](N)[C@H]1CCCCN1C(=O)c1cc(Br)cn1C 63192906 PZBLPJYGQKHBRK-GXSJLCMTSA-N 314.227 2.130 0 40 DEAB O=S(=O)(Cc1ccccc1)Cc1ncn(-c2ccccc2)n1 92210075 FEMHSVQTTPBECC-UHFFFAOYSA-N 313.382 2.382 0 40 DEAB Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCCCCCC1 63854930 HKWFYCAROLWTKI-UHFFFAOYSA-N 316.448 2.110 0 40 DEAB CCc1ccc(Cc2cnc(NC(=O)C3=NCCN3)s2)cc1 4248142 RSJUCGVKQXEZTO-UHFFFAOYSA-N 314.414 2.237 0 40 DEAB NC(=O)COc1ccc(C(=S)NCCc2ccccc2)cc1 4743609 SCEWCTVKLPQBBG-UHFFFAOYSA-N 314.410 2.059 0 40 DEAB Cc1cccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)c1 4985594 XNXQDJUWDADZGB-UHFFFAOYSA-N 311.385 2.248 0 40 DEAB O=C(O)CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 409194830 COJJQAIRVUDHRZ-UHFFFAOYSA-N 309.705 2.326 0 40 DEAB Cc1cc([C@@H](C)NCc2cnc(N3CCOCC3)nc2)c(C)o1 67506533 KWNXYJBTADNZKP-CYBMUJFWSA-N 316.405 2.374 0 40 DEAB Cc1cc(NC(=S)NC(=O)C(C)(C)C)cc(C(=O)O)c1O 20151416 REZFINPYEZMKIT-UHFFFAOYSA-N 310.375 2.258 0 40 DEAB NC(=O)[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1 71794489 JCOKLFULNWVCQY-LBPRGKRZSA-N 323.274 2.057 0 40 DEAB CCN(CC)CCN(Cc1ccccc1)C(=O)c1cnccn1 69351916 LDFVNZDHDYVOBV-UHFFFAOYSA-N 312.417 2.461 0 40 DEAB c1ccc(-n2cc(CN3CCc4c(ncn4C4CC4)C3)nn2)cc1 69434607 YYKLRMLQRZRCRH-UHFFFAOYSA-N 320.400 2.357 0 40 DEAB CCN(CC(=O)NC(C)C)Cc1nccn1Cc1ccccc1 69421188 BACJRDJQTXPMAN-UHFFFAOYSA-N 314.433 2.278 0 40 DEAB COC(=O)CCNC(=O)c1cc(-c2cccc(Cl)c2)no1 69520806 MDDCGKFOVPROLH-UHFFFAOYSA-N 308.721 2.288 0 40 DEAB COc1ccc(S(=O)(=O)NCCc2cccnc2)c(C)c1C 96409573 FZDYWOZSMPXDOH-UHFFFAOYSA-N 320.414 2.228 0 40 DEAB O=C(CN1CSCC1=O)Nc1ccc(Cl)cc1Cl 9419223 MRKOFLGOJBGMQD-UHFFFAOYSA-N 305.186 2.465 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cccc(C(N)=O)c1 71876704 SIYDTFCWZHCLAG-MRXNPFEDSA-N 312.417 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47806586 NBZXLBSWSDVTKM-STQMWFEESA-N 307.394 2.068 0 40 DEAB COC(=O)C1CCN(C(=O)Cn2ccc3ccccc32)CC1 26107020 TVHMQLXRXRBLNM-UHFFFAOYSA-N 300.358 2.053 0 40 DEAB CC(C)c1nnc(NC(=O)CCC(=O)NC2CCCC2)s1 1885568 MYFULNUIYGXIDQ-UHFFFAOYSA-N 310.423 2.439 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O 12602845 HGOMOMJDWYDNCK-CYBMUJFWSA-N 323.780 2.163 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101453165 RBCLQHYNMDGQIU-CYDGBPFRSA-N 309.749 2.465 0 40 DEAB c1ccc([C@@H](Nc2ccc3nnnn3n2)c2ccccn2)cc1 44893555 PFCKOYWDEDSDMK-MRXNPFEDSA-N 303.329 2.116 0 40 DEAB CC(C)C(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 27662070 JGVRJCFQUMSUEZ-HNNXBMFYSA-N 310.825 2.486 0 40 DEAB CCCCNC(=O)C(=O)NCCOc1ccc2ccccc2c1 59417441 LUYWIQFQFHSQHE-UHFFFAOYSA-N 314.385 2.251 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 58155334 HGSHSYXZTUBKFJ-HNNXBMFYSA-N 315.300 2.407 0 40 DEAB COc1cc(-c2ccccc2)sc1C(=O)NCC(=O)N(C)C 48229294 KTXODDKGWCTKBB-UHFFFAOYSA-N 318.398 2.242 0 40 DEAB Cc1cccc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)n1 108532630 ZOSYSIQRLKZSDO-HNNXBMFYSA-N 317.433 2.105 0 40 DEAB COCCCNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 48288865 SDGFBYGMSWNMCR-AWEZNQCLSA-N 312.797 2.060 0 40 DEAB Cc1nc(CCNC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)cs1 48273295 WARBTCBPDAZDDM-MEBBXXQBSA-N 318.398 2.339 0 40 DEAB O=C(CN1CCC[C@@H]1c1ccc(Cl)cc1)N1CCNC1=O 58343096 IRYHBJVKVPJNKM-CYBMUJFWSA-N 307.781 2.029 0 40 DEAB Cc1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)o1 107728871 HELMIZKCOVWXMQ-PBHICJAKSA-N 314.389 2.224 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1Cc2ccccc2S1 28014578 SLMZGRMUHSMFLJ-AWEZNQCLSA-N 320.458 2.467 0 40 DEAB CC(C)N(C1CC1)S(=O)(=O)c1ccc2c(c1)OCCCO2 24688318 BXANCSNVOLMUEC-UHFFFAOYSA-N 311.403 2.409 0 40 DEAB C[C@H]1CN(C(=O)COCc2nc3ccccc3s2)[C@H](C)CO1 45447699 YRXXRYPZXCVVNF-NEPJUHHUSA-N 320.414 2.449 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC 36585246 NNMIXCYAZIILED-SWLSCSKDSA-N 304.390 2.342 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 12985247 FENTVHIQAZOPJO-UHFFFAOYSA-N 318.373 2.408 0 40 DEAB C[C@@H](Sc1nnc2ccc(C(F)(F)F)cn12)C(=O)N(C)C 24145988 NOZUGHWQGNRVNP-SSDOTTSWSA-N 318.324 2.317 0 40 DEAB COc1ccc(Cn2nnnc2SCc2cc(C)on2)cc1 8747723 TWHVEPRSDQOXJE-UHFFFAOYSA-N 317.374 2.319 0 40 DEAB Cc1csc(NC(=O)Cn2cnc3c(C)cccc3c2=O)n1 18230445 RQFARJORHXPMEQ-UHFFFAOYSA-N 314.370 2.109 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@H](c2ccccc2O)C1 4241706 VECUECZTEIEWQB-NWDGAFQWSA-N 307.346 2.427 0 40 DEAB in-vitro O=C(CCC(=O)NCc1ccccn1)NCCC1=CCCCC1 4561418 PFQQWXYIAOUILL-UHFFFAOYSA-N 315.417 2.485 0 40 DEAB Cc1ccc(CNC(=O)CNC(=O)c2ccc(C)s2)cc1 14244463 LGYLLBZJGCQMGF-UHFFFAOYSA-N 302.399 2.411 0 40 DEAB COc1ccc(OC)c(N2C(=O)C/C(=C/c3cccnc3)C2=O)c1 5486829 QPIOJNRWXJOXNG-JYRVWZFOSA-N 324.336 2.446 0 40 DEAB CC(C)N(C(=O)CN1CCN(Cc2ccccc2)CC1)C(C)C 22585990 ZWGVUXSTVGZYFC-UHFFFAOYSA-N 317.477 2.450 0 40 DEAB Cc1cccc(C(=O)N[C@H](C(=O)Nc2ccn(C)n2)C(C)C)c1 14899579 OBQOBQJTZKAZOF-HNNXBMFYSA-N 314.389 2.122 0 40 DEAB CC(=O)c1cccc(NC(=O)Cc2nc3nc(C)cc(C)n3n2)c1 4999380 PUEPXRCPWUXQLF-UHFFFAOYSA-N 323.356 2.125 0 40 DEAB O=C1CN(c2nc(-c3cccs3)nc3ccccc23)CCN1 7000608 FUOYQUKNEOWZAQ-UHFFFAOYSA-N 310.382 2.295 0 40 DEAB C[C@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCc2[nH]ncc2C1 90455094 WCYNTWKPSFMLOG-ABAIWWIYSA-N 316.380 2.413 0 40 DEAB COc1ccc(C(=O)N/N=C/c2cnc3ccccc3n2)cc1 8101627 SFANPPSWQXAONY-YBFXNURJSA-N 306.325 2.402 0 40 DEAB COc1ccc(CN2C[C@@H](C(=O)N3CCCCC3)CC2=O)cc1 69367742 RXTAQHFWXRMKJC-HNNXBMFYSA-N 316.401 2.056 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)NCC[C@@H](C)c1ccccc1 69381278 IMXJTXGLVCMNGN-OCCSQVGLSA-N 323.462 2.086 0 40 DEAB NC(=O)C1CCN(Cc2cc(Cl)c3c(c2)OCCCO3)CC1 8317660 QGVQHRFJUWFTLA-UHFFFAOYSA-N 324.808 2.199 0 40 DEAB Cc1cc(C)n2cc(CN3CCc4c(ncn4C4CC4)C3)nc2n1 69490295 TYMNFFCAZPTCLG-UHFFFAOYSA-N 322.416 2.436 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)c1 69516515 NQLGOTXXISFDCS-ZDUSSCGKSA-N 313.357 2.398 0 40 DEAB c1ccc(-c2noc(CN3CCc4c(ncn4C4CC4)C3)n2)nc1 69562802 OATGFUPBMFKFIL-UHFFFAOYSA-N 322.372 2.221 0 40 DEAB CCc1nc(CN2CCC[C@H](NCc3cnc(C)s3)C2)no1 71882271 KWJQRYVAVFIHKM-LBPRGKRZSA-N 321.450 2.151 0 40 DEAB COc1ccc(OC)c(CN(CCO)C(=O)c2ccsc2)c1 71898119 COJNUEWCBLUWSD-UHFFFAOYSA-N 321.398 2.400 0 40 DEAB Cc1noc([C@@H](C)NC(=O)[C@@H](C)N2CCc3ccccc3C2)n1 71893312 VRCVGESLYPAMRL-VXGBXAGGSA-N 314.389 2.002 0 40 DEAB Cn1nc(C2CCC2)cc1NC(=O)N1CC[C@]2(CCOC2)C1 84303597 LBCFAIMZEPDJLI-INIZCTEOSA-N 304.394 2.332 0 40 DEAB O=S(=O)(Oc1cccc(-n2cncn2)c1)c1ccccc1 71914942 TUMIQVNWVCCJFV-UHFFFAOYSA-N 301.327 2.035 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C)c1 72297173 BMIBECATDCZQCE-ZDUSSCGKSA-N 300.362 2.072 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)N2CCc3c(ncn3C3CC3)C2)n1 95393734 SACOBPMHCBRLRA-CYBMUJFWSA-N 313.405 2.177 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@H](C(=O)O)c1ccccc1 95408268 BLIISTYEIWVFDJ-HNNXBMFYSA-N 301.317 2.353 0 40 DEAB Cc1cc(C)c(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c(=O)[nH]1 95438287 JOCGIGGZYKGXIV-TZMCWYRMSA-N 312.369 2.286 0 40 DEAB C[C@H](NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1cn[nH]c1 95441029 WJZRUIRTGKUCDZ-ZETCQYMHSA-N 307.741 2.045 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(CO)c2)C12CCC2 74108770 KMIFXTYCCIHCTO-JKSUJKDBSA-N 318.417 2.326 0 40 DEAB Cc1cc(=O)cc(O)n1CCCc1nc(-c2ccco2)no1 1547206359 MGFCFTANGVIXAZ-UHFFFAOYSA-N 301.302 2.138 0 40 DEAB CC(C)(C)NC(=O)Cn1c2ccccc2n2c(=S)[nH]nc12 35315108 CSHMHBHVVBONMK-UHFFFAOYSA-N 303.391 2.261 0 40 DEAB Cc1ccccc1[C@H]1CCN(C(=O)c2cn(C)nn2)CCS1 219286903 IXYYDMVZEIRNFS-OAHLLOKOSA-N 316.430 2.444 0 40 DEAB Cc1csc(NC(=O)CN2CCOC[C@H]2c2ccccc2)n1 72895426 TXCKDIIPIIEPJY-AWEZNQCLSA-N 317.414 2.464 0 40 DEAB CCN(C(=O)[C@@H](N)C(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 79390967 POTLHPIZNHELMF-MSOLQXFVSA-N 317.477 2.483 0 40 DEAB CC(=O)N1CCC(NC(=O)CCOc2ccc(Cl)cc2)CC1 46761519 LJJMKQUMUMQYOZ-UHFFFAOYSA-N 324.808 2.236 0 40 DEAB O=C(C1CCC(NCc2ccccn2)CC1)N1CCSCC1 78978661 UBTIQRINIINUMZ-UHFFFAOYSA-N 319.474 2.305 0 40 DEAB CCOc1cc2c(cc1CN1C[C@H]3CCCN3C[C@H]1C)OCO2 72324729 AQHBQPOCPHUUKS-UKRRQHHQSA-N 318.417 2.483 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2N[C@@H](C)CO)cc1 185579191 WUQYTLBGOOQQMI-IMJJTQAJSA-N 311.447 2.050 0 40 DEAB CC(C)c1noc(CCNC(=O)N2CC(C)(C)OC(C)(C)C2)n1 188034225 OKRFJZDRXQHDBL-UHFFFAOYSA-N 324.425 2.335 0 40 DEAB Cc1ccc2cnn(CCCNC(=O)c3cc(C)n(C)n3)c2c1 72239499 GNZJJGKOXKNVPJ-UHFFFAOYSA-N 311.389 2.207 0 40 DEAB O=S(=O)(C1CC1)N1CCCN(C/C=C/c2ccccc2)CC1 374820941 DDSQPKUNMFETMX-XBXARRHUSA-N 320.458 2.200 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)C1CCN(CCN)CC1 79411696 XIKMZQVLLPJIME-UHFFFAOYSA-N 319.449 2.457 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 44903507 ZDHIDTZFRXUYKP-ZDUSSCGKSA-N 324.446 2.141 0 40 DEAB CCN(C)C(=O)CNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1 225627577 NQAVYZUBWIAPKZ-JTQLQIEISA-N 323.359 2.085 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1C 225352453 YRJAEXAADSZIKC-LALPHHSUSA-N 323.414 2.249 0 40 DEAB CCC[C@@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 195555016 OBGVVRALGFDCDJ-MRXNPFEDSA-N 308.397 2.461 0 40 DEAB c1ccc2c(c1)NCCC[C@H]2NC[C@H]1COC2(CCOCC2)O1 193107936 ILYASXAJKXQGRL-WMLDXEAASA-N 318.417 2.445 0 40 DEAB O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cccc2nn[nH]c12 225482211 CLWQSOXRCQFGFN-RISCZKNCSA-N 302.378 2.019 0 40 DEAB O=C(C1CC1)N1CCN(c2nc(C(F)(F)F)cs2)CC1 532732035 LQBVPSOMASHTAL-UHFFFAOYSA-N 305.325 2.221 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 96184575 LWVIQRYTIXFTJN-CABCVRRESA-N 314.414 2.027 0 40 DEAB COc1c(F)cc(NC(=O)N[C@H]2CCC[C@H]2CO)cc1F 96434190 BUBNJPVZUKGFFB-UFBFGSQYSA-N 300.305 2.256 0 40 DEAB Cn1nc(-c2cccnc2)c2c1CN(C[C@@H]1CCOC1)CCC2 96254438 DJPCHVKRWMZEJC-AWEZNQCLSA-N 312.417 2.267 0 40 DEAB O=C(c1ccccn1)N1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 96186432 HKELWGIBBPVBDM-IRXDYDNUSA-N 321.380 2.492 0 40 DEAB CO[C@]1(C)C[C@@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1(C)C 96443872 QBQKVYBCFOMFDS-RDTXWAMCSA-N 314.385 2.462 0 40 DEAB COC[C@H]1CN(Cc2ccncc2)Cc2nn(CC3CC3)cc21 96060463 WSCIETRYNRLQHV-MRXNPFEDSA-N 312.417 2.434 0 40 DEAB O=C(NCCCOC[C@H]1CCOC1)c1ccc2cc[nH]c2c1 96418858 AKCRGCCVDMBVRE-CYBMUJFWSA-N 302.374 2.341 0 40 DEAB COCCN1CCN(Cc2ccoc2)Cc2ccc(C)nc21 96199022 SNKMYHFNZSUTLB-UHFFFAOYSA-N 301.390 2.452 0 40 DEAB Cc1cccc(CN2CC[C@H]3[C@@H]2CCN3CC2CCOCC2)n1 96184763 DZZWTRHPYZMMOQ-OALUTQOASA-N 315.461 2.465 0 40 DEAB O=C(NC1CCC1)[C@H]1C[C@@H]2CN(Cc3ccccc3F)C[C@H]1O2 96253115 VXHOSEDVJCEDTL-HLLBOEOZSA-N 318.392 2.084 0 40 DEAB O=C(C1CC1)N1C[C@H](OCc2nc3ccccc3[nH]2)[C@H](F)C1 96112025 VPBSZUMBUGSQLQ-RISCZKNCSA-N 303.337 2.038 0 40 DEAB biogenic,in-vitro CCc1ccc(-c2nc([C@H]3CCOC3)no2)cc1S(C)(=O)=O 96487421 HFPRBICXPRGUTO-LBPRGKRZSA-N 322.386 2.206 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)o1 96048587 OUKHOWTZQAKBOW-WMLDXEAASA-N 315.373 2.421 0 40 DEAB Cc1noc(C)c1CN1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 96187057 PWZAUCFOYSEGIC-IKGGRYGDSA-N 306.406 2.450 0 40 DEAB CCOc1ccc([C@H](N)c2n[nH]c(CC(C)C)n2)cc1OC 95534318 PELJXFGIZAYRCL-HNNXBMFYSA-N 304.394 2.459 0 40 DEAB CN(CC(=O)NCc1ccco1)Cc1nc2c(s1)CCCC2 96447123 OUPOJAGSTJXZGF-UHFFFAOYSA-N 319.430 2.363 0 40 DEAB CC(=O)NCCNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 96491710 SFDMWWFBUOMSHW-SJLPKXTDSA-N 315.417 2.233 0 40 DEAB c1ccc(CN2CC[C@@]3(C[C@H](Nc4cccnc4)CO3)C2)nc1 96218948 XGCQOACBAPQXMN-ZWKOTPCHSA-N 310.401 2.322 0 40 DEAB COCc1ccc(C(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)cc1 257234577 GUFBPURYBHRLQA-WMZOPIPTSA-N 319.401 2.243 0 40 DEAB CNc1cnc(C[C@@H]2CCCN(Cc3[nH]cnc3C)CC2)cn1 257246422 IUBHYRMUBJCROS-CQSZACIVSA-N 314.437 2.395 0 40 DEAB CC(=O)Nc1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)ccn1 257275318 NOVYWCGXJJBJJE-AWEZNQCLSA-N 313.361 2.131 0 40 DEAB Cc1nc(CN2CCO[C@@H](CCc3ccncn3)C2)cs1 257286797 PNBNVHLRPUYODB-HNNXBMFYSA-N 304.419 2.075 0 40 DEAB Cc1nc2sccn2c1CN1CCO[C@@H](c2cnccn2)C1 257306256 STLWXFUQWJQICJ-CQSZACIVSA-N 315.402 2.068 0 40 DEAB O=C(NCCN1CCCC1)c1cccnc1-c1cncs1 257249204 JHHFJLWGLNUXSP-UHFFFAOYSA-N 302.403 2.031 0 40 DEAB Cc1cc([C@H]2CCCCN2C(=O)c2ccn(C)n2)nc2ccnn12 257285541 PHQVQFJHFIVCIO-OAHLLOKOSA-N 324.388 2.139 0 40 DEAB CN1CCCN(C(=O)C2(Cc3ccccc3)CCOCC2)CC1 448569476 QETNAILBPZQEHI-UHFFFAOYSA-N 316.445 2.190 0 40 DEAB Cc1ccc(O[C@@H]2CCC[C@H](CNCc3cc[nH]n3)[C@H]2O)cc1 585286567 LUDWJTNOKNLWTP-ZTFGCOKTSA-N 315.417 2.416 0 40 DEAB CCc1n[nH]c([C@@H]2CN(Cc3ncc(C(C)C)o3)CCO2)n1 83830195 IWDOUVXWRSLGGK-LBPRGKRZSA-N 305.382 2.052 0 40 DEAB CNC[C@@H](C)CNC(=O)c1ccc(F)c(Br)c1 195542892 XSKXDRNHIJTPAL-MRVPVSSYSA-N 303.175 2.174 0 40 DEAB Cc1nc(N2CCC3(CC2)OCCO3)cc(C(F)(F)F)n1 914862409 FUSVQEWVORFHOG-UHFFFAOYSA-N 303.284 2.147 0 40 DEAB CCOC(=O)[C@H](CNC)Cc1ccc(Br)cc1 12649752 DEIDCFATNLFLRJ-NSHDSACASA-N 300.196 2.390 0 40 DEAB CSc1ccc(C)c(C(=O)N2CC[C@H](c3nc[nH]n3)C2)c1 521395792 ADMGGOBXAOAUGE-NSHDSACASA-N 302.403 2.465 0 40 DEAB Cn1ccc(C2CCN(C(=O)c3cc(C4CC4)on3)CC2)n1 575606544 IJBIIUCYVAFCOC-UHFFFAOYSA-N 300.362 2.305 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NOCc2ccccc2)c1C 8718428 XZGAUUYCODFZKN-UHFFFAOYSA-N 302.330 2.280 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(c3cc(C)nc(C)n3)C2)nc1 1776001337 NTKBCKZPDXRWFI-HNNXBMFYSA-N 313.405 2.487 0 40 DEAB Cc1nn(CCNS(=O)(=O)C2CC2)c(C)c1-c1ccccc1 238894776 QYIFWYJGEWYQBV-UHFFFAOYSA-N 319.430 2.249 0 40 DEAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)[C@@H]1CCOC1 238942661 WDCLWQDHWGPKDX-ABAIWWIYSA-N 323.439 2.198 0 40 DEAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1ccc(C)cc1)C2 1565543271 PTSKTJUNKNCMNN-APWZRJJASA-N 314.429 2.302 0 40 DEAB O=C1Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2N1 9572764 SJUNESHRPSQNIN-UHFFFAOYSA-N 306.318 2.121 0 40 DEAB CCc1nnc(C2CCN(c3ncnc4n[nH]cc34)CC2)s1 2086864691 BGGSOSNWHCIEEM-UHFFFAOYSA-N 315.406 2.151 0 40 DEAB COc1ncc(-c2nc(-c3ccc(OC)c(F)c3)no2)cn1 575616585 SJUVXBKODXBEOF-UHFFFAOYSA-N 302.265 2.350 0 40 DEAB C=CC(=O)N1CCC[C@@H](Cc2cnc(Nc3ccccn3)cn2)C1 585293049 VIHZEWJQSWQGHV-AWEZNQCLSA-N 323.400 2.582 0 40 DEAB CN(C)C(=O)c1ccc(OS(=O)(=O)c2ccccc2)cc1 30358012 ZDUQYIDEVJLKEL-UHFFFAOYSA-N 305.355 2.156 0 40 DEAB O=C(NCc1ccc(F)cc1)NC[C@@H](O)c1ccccc1F 31053379 NLAFAXFIGIACTE-OAHLLOKOSA-N 306.312 2.498 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@@H](C)C(C)C)ccc21 40472940 PALOXWXNWSKIRN-NSHDSACASA-N 301.390 2.499 0 40 DEAB COc1ccc(CCNC(=O)c2scnc2C)cc1OC 40529040 RFYFJKJGWUCQAG-UHFFFAOYSA-N 306.387 2.441 0 40 DEAB O=C(NCCc1ccsc1)[C@@H]1CCCN(c2cnccn2)C1 40509470 PZXDBZITQNFLRJ-CQSZACIVSA-N 316.430 2.113 0 40 DEAB COc1cc(C(=O)Nc2nc(C)cc(C)n2)cc(OC)c1OC 280020 OJEHSMNZHFKYLM-UHFFFAOYSA-N 317.345 2.372 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccccc1OC(F)F 32797018 NNADJQFXZYVCLH-VIFPVBQESA-N 308.284 2.467 0 40 DEAB COc1ccc([C@H](CC(=O)Nc2cc(C)on2)NC(C)=O)cc1 21442150 QZVBARRDDGQSRU-AWEZNQCLSA-N 317.345 2.198 0 40 DEAB CNC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 571964 JWRDCVAXHNPXBM-INIZCTEOSA-N 316.382 2.413 0 40 DEAB CCCNC(=O)[C@H](CCC)NC(=O)NCc1ccc(F)cc1 46629144 XTGJVSBDTUZUHY-AWEZNQCLSA-N 309.385 2.320 0 40 DEAB CC(C)c1nc(C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cs1 76053590 DWADPDYSPMANTA-OCCSQVGLSA-N 323.462 2.059 0 40 DEAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)NC[C@H](O)c1ccsc1 76088255 GORVZXTZBBBBDV-RQJABVFESA-N 324.446 2.284 0 40 DEAB 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C[C@H]1C[C@@H](C)CN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C1 25595091 YVEDOQAGQGISDV-BETUJISGSA-N 316.401 2.455 0 40 DEAB Cc1ccc(CN2CCOC[C@@]3(CC[C@@H](CN(C)C)O3)C2)s1 107739489 NHHCRIJOALYMQZ-DOTOQJQBSA-N 324.490 2.368 0 40 DEAB Cc1ccc(C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)cn1 57265699 QTOLMEUUNGUZCE-UHFFFAOYSA-N 319.405 2.473 0 40 DEAB CCOCCCNC(=O)CCN1C(=O)C(C)(C)c2ccccc21 57355660 FJDBLWJFRVADQI-UHFFFAOYSA-N 318.417 2.244 0 40 DEAB COCCNC(=O)c1ccccc1NC(=O)c1ccsc1 27413876 ROUYVDMLZUDJJG-UHFFFAOYSA-N 304.371 2.377 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCc1ccc([C@H](C)O)cc1)CN2 58291770 UNRJITIPAHRQKA-ZFWWWQNUSA-N 300.406 2.076 0 40 DEAB Cc1cc(C)n(-c2ccc(NC(=O)[C@@H](C)n3ccnc3)cn2)n1 44973295 CRRVNVFCZPCLED-CYBMUJFWSA-N 310.361 2.280 0 40 DEAB CC(C)N1CCN(C(=O)Cc2csc(-c3ccco3)n2)CC1 44909425 XUOPEBFEFFCQNX-UHFFFAOYSA-N 319.430 2.498 0 40 DEAB CCCNC(=O)[C@H](C)Sc1nc(O)c2cc(F)ccc2n1 58432857 INQFTPFNSIHZKN-QMMMGPOBSA-N 309.366 2.481 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCO2)c(Cl)c1 28326443 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65625716 DGNBSVZWEJRDQJ-SECBINFHSA-N 306.395 2.205 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](n2cccn2)C1 65611369 DAJAPTSFDMAYIY-XHSDSOJGSA-N 321.421 2.021 0 40 DEAB C[C@H](C(=O)O)n1cc(I)c(C(F)F)n1 408716385 MLBKSGAJAKRIRT-GSVOUGTGSA-N 316.045 2.071 0 40 DEAB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)NC2CC2)CC1 71798633 LJSCJBVUZKZWIS-UHFFFAOYSA-N 320.368 2.284 0 40 DEAB Cc1cccc(CS(=O)(=O)c2nnc(N3CCCC3)s2)c1 96403889 PKGUYBKQMWKIKS-UHFFFAOYSA-N 323.443 2.421 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](N2CCCC2)C1 66942813 VGHKTIBFNCXUOU-ULQDDVLXSA-N 324.465 2.047 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cccnc2)[C@@H](c2ccccc2)CO1 110633283 UMXOVDRFCHWHIQ-CZUORRHYSA-N 318.398 2.232 0 40 DEAB COc1cc(C)c(S(=O)(=O)NCc2ccco2)cc1OC 27930927 OHLKZFNGIFLELS-UHFFFAOYSA-N 311.359 2.084 0 40 DEAB COCc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 7118133 NDTFORPSINRSAR-UHFFFAOYSA-N 300.358 2.068 0 40 DEAB Cn1c(CNC(=O)c2ccc(F)c(F)c2F)nnc1C1CCC1 97141938 LQFMWHPHPXYXQZ-UHFFFAOYSA-N 324.306 2.430 0 40 DEAB Cc1cc(-c2nnc3n2N=C(c2ccc(F)cc2)CS3)[nH]n1 9357290 XRDLXQGAGLXHHK-UHFFFAOYSA-N 314.349 2.474 0 40 DEAB Cc1cc(NC(=O)CN[C@@H](C)[C@H]2COc3ccccc32)no1 97112658 IHWDAQDQJIKVRX-WCQYABFASA-N 301.346 2.076 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)Nc1ccc(C(N)=O)cc1 8191648 NDJDCKBKRTYCTR-NSHDSACASA-N 313.357 2.233 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1CCc1cc(F)cc(F)c1 69351514 SZILCLOJDDNWOL-UHFFFAOYSA-N 302.280 2.211 0 40 DEAB c1coc(-c2noc(CN3CCCC[C@H]3C3OCCO3)n2)c1 69414128 NJEGWITVCUGART-NSHDSACASA-N 305.334 2.057 0 40 DEAB O=C(Nc1nc[nH]n1)[C@@H]1C[C@@H]1c1ccccc1Br 69437066 CNWXWOWSDDHFFN-RKDXNWHRSA-N 307.151 2.309 0 40 DEAB O=C1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CCN1 71839451 PIVRWXWUDNPRKI-UHFFFAOYSA-N 318.392 2.376 0 40 DEAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)N(C)c2ccccc2)no1 71859242 BPKKAWNDXDPGOW-GTJPDFRWSA-N 306.387 2.283 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCn3ncnc32)o1 71839411 WULQVTIEWNIULX-YPMHNXCESA-N 300.362 2.364 0 40 DEAB CCc1ccc(CNC(=O)CS(=O)(=O)[C@@H](C)C(C)C)s1 83825487 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O=C(C[C@H](c1ccccc1)[C@@H]1CCCCN1)N1CCOCC1 72208331 YRTFWNXRJFIOKG-SJORKVTESA-N 302.418 2.161 0 40 DEAB CCN(C(=O)OCc1ccccc1)C1CCN(CC(=O)O)CC1 79413782 SKWYXDYVLCRYSZ-UHFFFAOYSA-N 320.389 2.194 0 40 DEAB Nc1ccccc1N1CCN(C(=O)C(Cl)(Cl)Cl)CC1 70461920 DMYDLKGMIRHDCC-UHFFFAOYSA-N 322.623 2.288 0 40 DEAB CN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)C1CCCC1 216438050 KGVAIQXCSSKDJW-UHFFFAOYSA-N 310.419 2.097 0 40 DEAB COc1ccc([C@H](C)NC(=O)N[C@H](C(=O)O)C2CC2)cc1F 571977381 GCRLVHMEQNXABM-SDBXPKJASA-N 310.325 2.058 0 40 DEAB Cc1cc(-c2noc(CNC(=O)c3cc(C)oc3C)n2)no1 225812504 XHPIQFVCBPVAKZ-UHFFFAOYSA-N 302.290 2.173 0 40 DEAB O=C(/C=C/c1cccc(O)c1)N1CCCC[C@@H]1Cn1ccnn1 225442559 UERSFDNPFNFSLS-MVGZEHJDSA-N 312.373 2.078 0 40 DEAB Cc1ccc(NC(=O)NC[C@H]2CCCN(CCC(=O)O)C2)cc1 237626435 ACQLXFKNJCXZMU-CQSZACIVSA-N 319.405 2.303 0 40 DEAB C[C@@H]1CCO[C@@H]1C(=O)N(c1ccc(F)cn1)C1CCOCC1 95427926 IDSSUVKHWMTYHZ-ABAIWWIYSA-N 308.353 2.158 0 40 DEAB Cn1cccc1C(=O)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238429 HPTCGGGNZGFKAX-IBGZPJMESA-N 323.396 2.294 0 40 DEAB COc1ccc(C2=NO[C@@](C)(C(=O)NCc3ccco3)C2)cc1 96192775 KMASSPMJIUKNNR-QGZVFWFLSA-N 314.341 2.488 0 40 DEAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1ccc(Cl)cn1 96454629 XZLASIQIXMPBMP-UHFFFAOYSA-N 321.808 2.304 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1C[C@@H]1c1ccco1 96446852 ATZTVIKHFCHNNE-UONOGXRCSA-N 305.374 2.433 0 40 DEAB Cc1c(F)cccc1NC(=O)NC(C)(C)CCS(C)(=O)=O 96476010 MAUDVVDBRZZWLN-UHFFFAOYSA-N 316.398 2.469 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2cccs2)N1c1cccnc1 96055715 CGHYXOAINVIYSL-QWHCGFSZSA-N 313.382 2.163 0 40 DEAB COc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)cc1 96053995 SSFPKVYRMINHME-HOTGVXAUSA-N 310.401 2.053 0 40 DEAB Cc1ccc(N2CC[C@H](N3C[C@@H]4[C@H]5CC[C@@H](O5)[C@H]4C3)C2=O)cc1 245339331 SCEKIZVGVKGAJC-NNPSNHGLSA-N 312.413 2.210 0 40 DEAB C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CNC(=O)OCC(F)(F)F 245338958 PRNHAYNUPWTOKN-GMTAPVOTSA-N 322.327 2.455 0 40 DEAB Cc1nnsc1C(=O)NCCn1cc(-c2ccccc2)cn1 253472553 NLWCVVRSWCXSEH-UHFFFAOYSA-N 313.386 2.140 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@@H]1c1ccncn1 257303682 SIGKLKHLODXEGF-OAHLLOKOSA-N 301.321 2.358 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1cccc(OC)c1 257215527 CQOKCATYSWWZQM-ZBFHGGJFSA-N 304.390 2.083 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257223348 DWYIDRGVAYLARN-GFCCVEGCSA-N 311.389 2.172 0 40 DEAB Cc1cccnc1C(=O)NCc1ccnc([C@@H]2CCCOC2)n1 257299038 ROKULNCQDPPUBL-CYBMUJFWSA-N 312.373 2.004 0 40 DEAB O=C(c1ccc(F)cc1F)N1CCC[C@@H](Oc2ccncn2)C1 575606190 SWFCLUOJWMRMFB-GFCCVEGCSA-N 319.311 2.438 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575402369 BPOGSYGUGZYKBG-UPJWGTAASA-N 304.415 2.203 0 40 DEAB Cc1cccc(O[C@@H]2CCC[C@H](NCc3nccn3C)[C@H]2O)c1 585289905 XAPBJMMVZCWNTC-LZLYRXPVSA-N 315.417 2.179 0 40 DEAB Cc1cccc(CN2CCOC[C@@]3(CC(=O)N(C(C)C)C3)C2)c1 585104865 VZOPDRGJOYRNNI-IBGZPJMESA-N 316.445 2.454 0 40 DEAB CN1CCN([C@H]2CCC[C@@H](Oc3cccc(Cl)c3)[C@@H]2O)CC1 585290039 QHOYHKNJQZZBPN-GVDBMIGSSA-N 324.852 2.248 0 40 DEAB O=C(CSCc1ccccc1)N1CC(Nc2cnccn2)C1 827898199 WYGFUFLNVYQUSL-UHFFFAOYSA-N 314.414 2.033 0 40 DEAB C[C@@H]1COCCN1Cc1cn2cc(Br)ccc2n1 51687594 SJIVHQNDNCJXBG-SNVBAGLBSA-N 310.195 2.318 0 40 DEAB CCN1CCC(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)CC1 57000704 VCVRFIIMJKWZNI-DYVFJYSZSA-N 318.417 2.063 0 40 DEAB Cn1ccc(C(=O)N2CCC(c3ccc4cccnc4n3)CC2)n1 655266388 GDUCHOSLWKVKCL-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB CCOc1ccc(NC(=O)NC2CN(c3ccccn3)C2)cc1 1202913778 FXJGDSBZFDSVEG-UHFFFAOYSA-N 312.373 2.491 0 40 DEAB COc1c(Cl)cc(C=NNc2nnn[nH]2)cc1OC(C)C 5481886 WFXPHTOJUUXZDY-UHFFFAOYSA-N 310.745 2.095 0 40 DEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccccc3F)cc2o1 11174939 BCXDYCAXLLCEEE-UHFFFAOYSA-N 308.290 2.061 0 40 DEAB COc1ccc2c(=O)c(C(=O)NCc3ccccc3)c[nH]c2c1 12481262 XDAOOKPOTREFIS-UHFFFAOYSA-N 308.337 2.467 0 40 DEAB OCCSc1nc2ccccc2c2nc(-c3ccncc3)nn12 13640197 OGGKAIVIWKSBAE-UHFFFAOYSA-N 323.381 2.424 0 40 DEAB Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)N2 13721403 PUFWSSSKNOCESS-ZDUSSCGKSA-N 313.361 2.232 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 7141124 OEWFFYQKKSWGPU-JVHCQEHGSA-N 305.374 2.412 0 40 DEAB CCOc1ccc2c(c1)CN(C(=O)[C@@H](N)CCSC)CC2 156504005 TXYAYAODNPECFC-HNNXBMFYSA-N 308.447 2.050 0 40 DEAB Fc1cncnc1NC1CN(c2cc(C(F)(F)F)ccn2)C1 1888843040 KDFNJLVQAVSAGG-UHFFFAOYSA-N 313.258 2.330 0 40 DEAB Cc1nnc(CN2CCN(c3nsc4ccccc34)CC2)o1 1888897518 NMWAESOEZBCMSK-UHFFFAOYSA-N 315.402 2.310 0 40 DEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(CC)cc1 28273814 OTRXFRIJFUWEQO-HNNXBMFYSA-N 324.446 2.392 0 40 DEAB CCOc1ccccc1N1CCN(C(=O)c2cc(C)no2)CC1 28203914 HKACOMLQJSFAEF-UHFFFAOYSA-N 315.373 2.344 0 40 DEAB CCCCCN[C@@H](CC(=O)Nc1ccc(OC)cc1)C(=O)O 2697482 QJMFCWVIPJHMKO-AWEZNQCLSA-N 308.378 2.257 0 40 DEAB O=C(NCc1cncc(-c2ccoc2)c1)NC1CCOCC1 575620100 KLZZAXRXDZFJHN-UHFFFAOYSA-N 301.346 2.320 0 40 DEAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)[C@H]1CCOC1 585147929 IJPJFAWWIDESAL-GJZGRUSLSA-N 301.342 2.133 0 40 DEAB C[C@@H](NC(=O)c1ccccc1O)c1ccc2c(c1)NC(=O)CO2 30001312 PFINETLYAHMKGG-SNVBAGLBSA-N 312.325 2.214 0 40 DEAB CC[C@@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)CCO1 30853640 CBTJORMLOYRXLA-LLVKDONJSA-N 321.402 2.368 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)NCCc1ccc(OC(C)C)cc1 40514145 COKZOMAFDLSXKN-KRWDZBQOSA-N 318.417 2.143 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cn2)n1 32633723 NUMDJCIFDZCIBU-OKILXGFUSA-N 314.389 2.134 0 40 DEAB S=C(NC[C@@H]1COc2ccccc2O1)N[C@H]1C[C@H]2CC[C@H]1C2 102426545 GRGQVGNDBSEXTN-FQUUOJAGSA-N 318.442 2.479 0 40 DEAB CC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)cc1 411455 YUYAJOQZXFYZBF-UHFFFAOYSA-N 321.340 2.181 0 40 DEAB CC1(C)[C@]2(C(=O)NCCc3ccccc3)CC[C@@]1(C)C(=O)O2 467394 SOORSLZWGVPORC-ZWKOTPCHSA-N 301.386 2.467 0 40 DEAB CCc1ncncc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 76083363 UNFPSOXPDLLQHC-UHFFFAOYSA-N 312.308 2.216 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)CCc1ccc(F)c(F)c1 78988379 HKPYOEBRFIOWIO-MEDUHNTESA-N 324.371 2.413 0 40 DEAB COC(=O)c1ccc(CSc2nc3nc(C)cc(C)n3n2)o1 3392596 WPJKKPQHPSQXQV-UHFFFAOYSA-N 318.358 2.413 0 40 DEAB NC(=O)COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1 8775953 HSSPTLKCHXLIAN-RMKNXTFCSA-N 314.316 2.342 0 40 DEAB O=C(NCCc1nccn1Cc1ccccc1)C1CCOCC1 22972408 TXUVLDLOLIUVKT-UHFFFAOYSA-N 313.401 2.017 0 40 DEAB O=C(O)CN(C(=O)c1cc(F)ccc1Br)C1CC1 37588412 FQMGWAPXNLDYQY-UHFFFAOYSA-N 316.126 2.277 0 40 DEAB c1ccc(-c2noc(CN3CCC[C@H](Cn4cncn4)C3)n2)cc1 105882533 WVWZURPWTOSSGP-AWEZNQCLSA-N 324.388 2.240 0 40 DEAB CNC(=O)c1cccc(N[C@@H](C(=O)N(C)C)c2ccccc2)c1 9338480 ZJPCGXDNDQLDLZ-MRXNPFEDSA-N 311.385 2.288 0 40 DEAB O=C(Nc1ccc(NC(=O)c2cnsn2)cc1)NC1CC1 55448645 MMLSULXQNAAJIG-UHFFFAOYSA-N 303.347 2.074 0 40 DEAB COc1c([C@H]2CCCN2[C@H](C)c2nc(C)no2)c(C)nn1C 106908335 HZSJYYMIXJTGHN-ZYHUDNBSSA-N 305.382 2.327 0 40 DEAB CN(CN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCc2ccccc21 25452926 CNSPRXAGBRZSPI-HNNXBMFYSA-N 313.401 2.428 0 40 DEAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCC1CCC1 26136300 MBASDTTVHVAWDM-HNNXBMFYSA-N 306.381 2.496 0 40 DEAB C[C@@H](NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 26246495 VAYZROPIMHRKEB-GFCCVEGCSA-N 317.418 2.131 0 40 DEAB CC1CCN([C@H](C)CNC(=O)Cc2cn3ccsc3n2)CC1 58283735 YKXKFDICHKAAIM-CYBMUJFWSA-N 320.462 2.175 0 40 DEAB C[C@H](NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)c1cccs1 44911767 SCZUCBSDNIZSJN-IUCAKERBSA-N 320.336 2.336 0 40 DEAB CCCn1c(NC(=O)CNC(=O)OCC)nc2ccccc21 58442015 ZZIVTQMCIVPCBO-UHFFFAOYSA-N 304.350 2.131 0 40 DEAB CCNC(=O)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10715000 IQNGJJLWMOJBFM-UHFFFAOYSA-N 323.349 2.419 0 40 DEAB Cc1noc(C)c1NC(=O)NCC(=O)Nc1ccc(F)cc1 71799543 SDVUOWWQFVOIRK-UHFFFAOYSA-N 306.297 2.191 0 40 DEAB CC(C)CCNC(=O)CC[C@H]1NC(=O)c2ccccc2N=C1O 36594925 WCWPNWUMUIGMBV-CQSZACIVSA-N 317.389 2.329 0 40 DEAB CCN1CCC(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CC1 29607244 ANSPAJVBVVPDQH-UHFFFAOYSA-N 324.808 2.325 0 40 DEAB O=C(CCC(=O)c1ccccc1)NC1CCC2(CC1)OCCO2 48356603 JVQNFGIDWFDGCJ-UHFFFAOYSA-N 317.385 2.451 0 40 DEAB COc1ccc([C@H](O)CNCc2cn(C)nc2C(C)C)cc1 48710155 XKEIEGLNDCYMTF-MRXNPFEDSA-N 303.406 2.375 0 40 DEAB Cc1cccc(C(=O)N[C@H](C(=O)N2CCSCC2)C(C)C)c1 49215036 RFTIUCCQWALHEV-HNNXBMFYSA-N 320.458 2.325 0 40 DEAB CC(C)(C(=O)OCC(=O)c1ccc(Cl)cc1)n1cncn1 4051642 CTHPDJDCCNRKSA-UHFFFAOYSA-N 307.737 2.093 0 40 DEAB Cc1nn(C(F)F)c(C)c1CC(=O)N1CCOc2ncccc21 96451742 WRENRWOSZBWILC-UHFFFAOYSA-N 322.315 2.258 0 40 DEAB CCCCOC(=O)[C@H]1CN(c2ccccc2)N=C1C(=O)OCC 4142966 FELSOHPIGBXLIA-AWEZNQCLSA-N 318.373 2.385 0 40 DEAB COc1c(CNCCCn2cnc3ccccc32)c(C)nn1C 65563768 XWHVBKUJHCTNSA-UHFFFAOYSA-N 313.405 2.267 0 40 DEAB Cc1ccc(OC[C@@H](O)CN2CCC(c3ccn[nH]3)CC2)cc1 65595141 ZJFAGYDJXSFFSU-INIZCTEOSA-N 315.417 2.337 0 40 DEAB OCCc1ccc(Nc2nnc(Cc3ccccc3)c(O)n2)cc1 9061176 LQVFNAZUZSPMAM-UHFFFAOYSA-N 322.368 2.446 0 40 DEAB O=C1C(=O)N(Cc2ccc(F)cc2)C(=O)N1Cc1ccccc1 14356205 VMQDWJAXYPIKQF-UHFFFAOYSA-N 312.300 2.317 0 40 DEAB c1ccc(-c2nnc3n2C[C@@H](NCc2cccnc2)CC3)cc1 96000238 LWXCJJAWILUCLY-INIZCTEOSA-N 305.385 2.445 0 40 DEAB COCc1cc(C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)no1 96002843 VQHOJUQDFNXESV-ZDUSSCGKSA-N 318.377 2.406 0 40 DEAB CC(=O)Nc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 15912444 FUCDFBSOHBJOSX-UHFFFAOYSA-N 309.325 2.244 0 40 DEAB O=C(CSc1ncccn1)NCCc1c[nH]c2ccccc12 8069852 YJBRGHMMTGHJCN-UHFFFAOYSA-N 312.398 2.409 0 40 DEAB C[C@H](N[C@H](C)Cc1ccc(Cl)cc1)C(=O)N1CCOCC1 91373353 VMQKPHYAQBSKET-OLZOCXBDSA-N 310.825 2.108 0 40 DEAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 8216249 QYHDGRTWZFIIIR-OAHLLOKOSA-N 324.380 2.365 0 40 DEAB CCOCCN1CCN(c2nn3cc(C)nc3s2)C[C@H]1CC 69698081 JPURLTBTRBXNBH-CYBMUJFWSA-N 323.466 2.036 0 40 DEAB Cn1ccc2c(NC(=O)NCc3nnc4n3CCC4)cccc21 69699572 WSVDOSREFFZLTN-UHFFFAOYSA-N 310.361 2.038 0 40 DEAB COc1ccc(-c2noc(CCc3cnn(C)c3)n2)c(OC)c1 69736927 KNFOVYDSLMOCNH-UHFFFAOYSA-N 314.345 2.273 0 40 DEAB Cc1oc(C)c(C(=O)N2CCN(C[C@@H](O)C(C)(C)C)CC2)c1C 69952193 YKDDKVURJHRLBS-OAHLLOKOSA-N 322.449 2.370 0 40 DEAB Cc1nccn1CCN(C)C(=O)c1ccccc1[C@H]1CCNC1 72144216 HJQMUOOYZFUABU-HNNXBMFYSA-N 312.417 2.041 0 40 DEAB Cc1ccc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)nc1 97372751 UYVHMTBHJCMYNA-UHFFFAOYSA-N 304.394 2.112 0 40 DEAB CC(C)COC1CCN(S(=O)(=O)C[C@@H]2CCCCO2)CC1 84544385 JNIQQUSGMROXRD-HNNXBMFYSA-N 319.467 2.022 0 40 DEAB CC(=O)Nc1ccc(C(=O)N2CCOc3nc(C)ccc32)cc1 95460667 IABHMJJTQJJBSY-UHFFFAOYSA-N 311.341 2.388 0 40 DEAB O=C(C1CCN(Cc2ccc(CO)o2)CC1)N1CCCCCC1 95982352 YXNRTBKYADEYLV-UHFFFAOYSA-N 320.433 2.387 0 40 DEAB CC(C)Cc1cc(C(=O)Nc2ccc(C(N)=O)c(F)c2)[nH]n1 75136893 RPARJPICWYJREY-UHFFFAOYSA-N 304.325 2.099 0 40 DEAB Cc1nc(-c2ccco2)ccc1C(=O)N[C@H]1CCC(=O)N(C)C1 75143142 OQARRHSLYNJQAU-LBPRGKRZSA-N 313.357 2.001 0 40 DEAB Cc1ccccc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1 89689372 IVVPRKQVQXXYLY-OAHLLOKOSA-N 313.405 2.213 0 40 DEAB CCC(=O)N1CCN(C(=O)[C@H]2SCCc3sccc32)CC1 89941719 HAURKCHZTZZEHZ-AWEZNQCLSA-N 324.471 2.159 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)c1cc(Cl)c2c(c1)OCO2 31394267 OABCXJVARRHZFG-SECBINFHSA-N 307.737 2.084 0 40 DEAB Cc1cc(C(=O)NS(=O)(=O)CCC2CCCCC2)ns1 408505470 ZJOQEPISBVWRQY-UHFFFAOYSA-N 316.448 2.482 0 40 DEAB CC(=O)Nc1cc(C(=O)N2c3ccccc3C[C@@H]2CN)ccc1C 515346265 ZXJHKPVFPIXGCS-MRXNPFEDSA-N 323.396 2.484 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)c1cn(C)c2ccccc12 8170874 AIDJODSSKIYJMA-CYBMUJFWSA-N 320.414 2.203 0 40 DEAB biogenic Cc1cnn(CCCNC(=O)N2CCOC[C@@H]2CC(C)C)c1 79306049 ALILTZWLBLEISK-HNNXBMFYSA-N 308.426 2.038 0 40 DEAB CC(C)CNS(=O)(=O)c1cc(C(=O)O)ccc1NC(C)C 217422388 BDZPLCPSVQLOAV-UHFFFAOYSA-N 314.407 2.139 0 40 DEAB CCn1nc(C2CC2)c(I)c1C(=O)O 72339387 SXRXVKFGAASUCL-UHFFFAOYSA-N 306.103 2.083 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)/C=C/c1cccc(F)c1 79042422 DOWWRADFSGKTHZ-BCPZQOPPSA-N 313.394 2.121 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)N1CCc2ccccc21 36569679 ROGVKWKKYXLTIA-GFCCVEGCSA-N 308.403 2.053 0 40 DEAB CCc1ccc([C@H](NC(=O)[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1 39522428 RPLQAVPZSCUMTA-HZPDHXFCSA-N 323.458 2.497 0 40 DEAB O=C(NCc1cccs1)NC[C@]1(O)CCOc2ccccc21 75158187 BGRNPNDJTVHPBB-MRXNPFEDSA-N 318.398 2.218 0 40 DEAB CCN(CC(=O)O)Cc1ccccc1I 79421088 QTPOTIOYXMZZIM-UHFFFAOYSA-N 319.142 2.198 0 40 DEAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1CCc2[nH]cnc2C1 225515923 ZWFYFNCLOWETTA-LLVKDONJSA-N 309.373 2.050 0 40 DEAB CC[C@@H]1OCC[C@H]1NC(=O)N(C)Cc1ncc(C)c(OC)c1C 575967407 SLEFSICHOFOZOQ-HIFRSBDPSA-N 321.421 2.416 0 40 DEAB CO[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2ncn(C)n2)c1 195567048 PCSOEWUWSVLHAZ-ZIAGYGMSSA-N 315.377 2.171 0 40 DEAB C[C@H](NC(=O)NCCN1CCCC1=O)c1ccc(Cl)cc1 576044986 LGIVQHFDYLXGTE-NSHDSACASA-N 309.797 2.323 0 40 DEAB O=C(COCc1ccccc1)NC[C@H]1Cc2ccccc2CO1 225785976 FNIIQZKSIKEIHX-GOSISDBHSA-N 311.381 2.461 0 40 DEAB CNC(=O)CCN[C@@H](c1ccccc1)c1nc2ccccc2n1C 195569186 NGVMRXCYVTUPCQ-SFHVURJKSA-N 322.412 2.388 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@@H](CO)C1 96503331 DRNPSSDMYOCHNS-GXTWGEPZSA-N 322.453 2.421 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(CC4CC4)C[C@@H]32)C(=O)N1CC1CC1 96061743 UMETVQUXZHNXAF-SOLBZPMBSA-N 301.434 2.148 0 40 DEAB CSC1(CNC(=O)c2ccc(Cl)cn2)CCOCC1 96425619 IHJXJUHGSPVGGY-UHFFFAOYSA-N 300.811 2.377 0 40 DEAB O=C(C1CC1)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96159716 KYFRZYDVLJFUTN-SFHVURJKSA-N 316.376 2.187 0 40 DEAB 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0 40 DEAB O=C(O)[C@H]1CCN(Cc2ccc(F)c(Br)c2)C1 62133233 QNEKMYBSORUMGM-VIFPVBQESA-N 302.143 2.495 0 40 DEAB Cc1ccn2cc(CNC(=O)c3ccc(N(C)C)nc3)nc2c1 57255225 BBILPSLXXNLGAW-UHFFFAOYSA-N 309.373 2.034 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(OC(C)C)c1 56156988 ZMALDYGMPLGECW-STQMWFEESA-N 321.421 2.359 0 40 DEAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCNC(=O)CC1 59884029 HYDRIDYBHFJCSL-UHFFFAOYSA-N 321.427 2.142 0 40 DEAB O=S(=O)(Cc1cnn(CCF)c1)[C@@H]1CCc2ccccc2C1 899503206 INUSXWCZLSCWJZ-MRXNPFEDSA-N 322.405 2.325 0 40 DEAB CCn1ncc(CNC(=O)N[C@@H]2C[C@H](c3ccccc3)[C@H]2C)n1 1548451612 IASMSBSOOYKHGQ-UHOFOFEASA-N 313.405 2.289 0 40 DEAB O=C1[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(=O)N1c1ccccc1 16952589 USWUQRVKTQVBJU-CALCHBBNSA-N 306.365 2.308 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19462841 XFQQQQYTIVZRAC-FZMZJTMJSA-N 311.385 2.285 0 40 DEAB O=C(c1n[nH]nc1-c1cccc(Cl)c1)N1CCSCC1 206652809 NDUMSCNFIRIUBM-UHFFFAOYSA-N 308.794 2.314 0 40 DEAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(NC(=O)C2CC2)cc1 24649865 CLQDSKWYUGTCSR-UHFFFAOYSA-N 312.325 2.403 0 40 DEAB O=C(NCCc1ccccc1)NC[C@H](O)c1ccccc1F 31053382 UNBODVOZMGGJSR-INIZCTEOSA-N 302.349 2.401 0 40 DEAB COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(C)=O)c1 49012 MKEDFDTTWNUOPC-LBPRGKRZSA-N 302.252 2.011 0 40 DEAB COc1c(OCc2ccccc2)ccc2c1N=C(N)N1CCN=C21 116783521 LLAWQTBLVDDAPS-UHFFFAOYSA-N 322.368 2.296 0 40 DEAB Cc1nnc(NC(=O)CCc2ccc3c(c2)OCCO3)s1 24706534 SZVAVTZGJFUCBT-UHFFFAOYSA-N 305.359 2.189 0 40 DEAB Cc1cc(C(=O)NCc2ccccc2CO)c2c(C)nn(C)c2n1 50003008 JUIZBRSOTFTKAX-UHFFFAOYSA-N 324.384 2.007 0 40 DEAB COc1ccc(-c2nnc(CN3C[C@@H](C)O[C@H](C)C3)o2)cc1 40477265 DFGHWRLSNQHXSU-VXGBXAGGSA-N 303.362 2.354 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1nnc(C2CC2)s1)C1CCCC1 40476035 WQCYNLCTNWIHJY-NSHDSACASA-N 308.407 2.049 0 40 DEAB CCOc1ccc([C@@H](C)NC(=O)Cn2cccn2)cc1OC 40512598 BMPCGPNRPJALOE-GFCCVEGCSA-N 303.362 2.168 0 40 DEAB CN1CCN(C(=O)c2ccc(N(C)C)nc2)[C@@H](c2ccccc2)C1 32313927 KCEONFJOCIJNBZ-QGZVFWFLSA-N 324.428 2.277 0 40 DEAB Cc1n[nH]cc1CNCc1ccc(C(=O)N(C)C(C)C)cc1 97159429 MJTYHCVQMBOJAF-UHFFFAOYSA-N 300.406 2.488 0 40 DEAB Cc1nccn1Cc1ccc(NC(=O)N[C@H](C)[C@@H](C)CO)cc1 76020192 JCXMDSLARWBFGB-QWHCGFSZSA-N 316.405 2.378 0 40 DEAB COc1ccc(C(O)(CC(=O)O)c2ccc(OC)cc2)cc1 1704030 GSBPZJBURNBCAB-UHFFFAOYSA-N 302.326 2.414 0 40 DEAB COc1cc(C(=O)N[C@H](C(=O)O)C(C)C)cc(Cl)c1OC 33456108 VEZHYBUWFGPLPE-NSHDSACASA-N 315.753 2.196 0 40 DEAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)on2)cc1 4496221 DQZHNGUHYBIKHG-UHFFFAOYSA-N 308.359 2.094 0 40 DEAB O=C(CCNC(=O)c1ccc(F)cc1F)Nc1cccnc1 22662156 WBQBKDWJZUQZIK-UHFFFAOYSA-N 305.284 2.118 0 40 DEAB CC(=O)c1ccc(OC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7656025 WWSWSOPJDPKDLA-BBRMVZONSA-N 319.382 2.249 0 40 DEAB C[C@@H](NC(=O)NCCNc1ncccn1)c1ccc(F)cc1F 42804303 QYPFJJFMAFSDKE-SNVBAGLBSA-N 321.331 2.227 0 40 DEAB CN(Cc1nc(CC2CC2)no1)C[C@H]1COc2ccccc2O1 55120438 JWVINOBMYOYVQP-ZDUSSCGKSA-N 315.373 2.294 0 40 DEAB CCN(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 24986317 CCEDGFOVGKAXNA-UHFFFAOYSA-N 310.350 2.364 0 40 DEAB Cn1cc(CCC(=O)Nc2ccn(Cc3ccccc3)n2)cn1 55447083 BNRGPODFYCDVNZ-UHFFFAOYSA-N 309.373 2.236 0 40 DEAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1Cc2ccccc2O1 25009796 INKWVCUCXVTYNM-HNNXBMFYSA-N 306.325 2.210 0 40 DEAB CC(C)c1noc(CCNC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)n1 106910481 ALLGFBYOGPKRBW-AVGNSLFASA-N 306.410 2.471 0 40 DEAB NC(=O)c1cccc(CNC(=O)CCc2ccccc2F)c1 25333366 XKFJXYXAGNKLHW-UHFFFAOYSA-N 300.333 2.174 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@H]1c1cccc(F)c1)C(=O)N(C)C 56875766 XXCLHGIKQLFMKO-RISCZKNCSA-N 307.369 2.149 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@H]1Cc1ccc(F)cc1)C(=O)N(C)C 56875742 IWZYDLDCCIYYDW-DOMZBBRYSA-N 321.396 2.019 0 40 DEAB CC(C)CNC(=O)c1ccc(NC(=O)NC[C@H]2CCCO2)cc1 47729428 NRKYGTHTNRNHHS-OAHLLOKOSA-N 319.405 2.373 0 40 DEAB O=C1NCCCC[C@H]1N1CCN(c2ccccc2Cl)CC1 57363705 VSMVVNOHEFHIBH-OAHLLOKOSA-N 307.825 2.131 0 40 DEAB CCN1CC[C@]2(CC(C(=O)NC[C@H](C)c3ccccc3)=NO2)C1 107231659 AVDKTJOAGHWAIF-KSSFIOAISA-N 315.417 2.147 0 40 DEAB Cc1coc(-c2cccc(NC(=O)N3CC(N(C)C)C3)c2)n1 97113374 BWCJDZNIBSYRRP-UHFFFAOYSA-N 300.362 2.428 0 40 DEAB CN(CCc1ccncc1)C(=O)Cc1cn2ccsc2n1 58391639 FWBJWSQVQQGDQV-UHFFFAOYSA-N 300.387 2.034 0 40 DEAB COc1ccc(Cl)cc1NCCC(=O)NC[C@H](C)N(C)C 58342303 JXKWGSIIGVCHJR-NSHDSACASA-N 313.829 2.217 0 40 DEAB Cc1n[nH]c(SCC(=O)c2ccc(N3CCCC3=O)cc2)n1 11707243 FPDZBOXUWSVQOZ-UHFFFAOYSA-N 316.386 2.215 0 40 DEAB CC(C)NC(=O)COC(=O)c1ccccc1Br 3300622 XFWSBTILGMZEKE-UHFFFAOYSA-N 300.152 2.131 0 40 DEAB O=C(COC(=O)C1=COCCO1)Nc1ccc2ccccc2c1 3330244 DWSBJXSZFQGOHV-UHFFFAOYSA-N 313.309 2.210 0 40 DEAB CCCCN1C(=O)C[C@@H](C(=O)NOC)[C@@H]1c1ccc(OC)cc1 23041225 BFIVZEAOBOPVRF-ZBFHGGJFSA-N 320.389 2.063 0 40 DEAB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1cccc(Cl)c1 12765046 YPSJWGOKYHQAPZ-OAHLLOKOSA-N 315.760 2.074 0 40 DEAB O[C@H](CNC[C@@H]1Cc2ccccc2O1)c1ccc2c(c1)OCO2 48346018 XNHIJQSOYQUIGC-LSDHHAIUSA-N 313.353 2.042 0 40 DEAB O=C(O)CCSCc1nc2sc3c(c2c(=O)[nH]1)CCC3 3407891 MISVRHXYGDBZMH-UHFFFAOYSA-N 310.400 2.181 0 40 DEAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(c2nccs2)CC1 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CCOC(=O)Cc1csc(S[C@H](C)C(=O)NC(C)C)n1 8573914 RRKASGQZPHWUGE-SECBINFHSA-N 316.448 2.254 0 40 DEAB COc1ccc([C@H](C)N2CCN(C[C@@H](C)O)CC2)cc1Cl 69869761 JRBWJEAKUMVAOM-OLZOCXBDSA-N 312.841 2.408 0 40 DEAB CCCC(=O)N1CCC[C@@H](C(=O)N[C@@H](CC)C2CCOCC2)C1 72307187 MUAPJPYMCILYOW-CVEARBPZSA-N 324.465 2.347 0 40 DEAB C[C@H]1CCC[C@H](C)C1NC(=O)NCC(C)(C)N1CCOCC1 72311427 SXHLVHKQJDNYFA-KBPBESRZSA-N 311.470 2.221 0 40 DEAB O=C(NCC[S@@](=O)c1ccccc1)NCc1cccs1 72286963 VNBIRZNEKUIBOR-FQEVSTJZSA-N 308.428 2.355 0 40 DEAB CN1CC[C@H](N(C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1=O 72291881 BTSYOIPQMYFEJY-NSHDSACASA-N 315.295 2.400 0 40 DEAB Cc1nc(C(=O)N2CCN([C@@H](C)c3ccccc3F)CC2)c[nH]1 72282458 QJXHKRYXCZGCSF-LBPRGKRZSA-N 316.380 2.376 0 40 DEAB Cc1ccc(CC(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 72278356 SVMOHXQGBVXYJF-KRWDZBQOSA-N 304.434 2.107 0 40 DEAB C[C@]1(CNC(=O)N[C@H](CO)Cc2ccccc2)CCCS1 95412602 MSZFGAAFGRJIEA-GOEBONIOSA-N 308.447 2.175 0 40 DEAB Cc1ccc2c(n1)OCCN2C(=O)[C@@H]1OCCc2ccccc21 95985615 XKTCPEWRRSUOSE-MRXNPFEDSA-N 310.353 2.429 0 40 DEAB COc1ccnc(CN2CCN(c3ccncc3Cl)CC2)c1 95980418 FFMGNRGPLUSGFD-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB CC(=O)N(C)CC(=O)Nc1ccc(-n2ncc3ccccc32)cc1 95987068 ZIHUVUCQQZSAFO-UHFFFAOYSA-N 322.368 2.442 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)NC(C)(C)CC(C)(C)C 89272331 CZKNJDNSTKKZJE-NSHDSACASA-N 306.472 2.324 0 40 DEAB CCS(=O)(=O)C[C@@H](C)NC(=O)NC(C)(C)CC(C)(C)C 89272328 CZKNJDNSTKKZJE-LLVKDONJSA-N 306.472 2.324 0 40 DEAB O=C([C@H]1C[C@@H]1c1cccnc1)N1CCC(Nc2cccnn2)CC1 75129206 VKUFAXWWWBZTJH-CVEARBPZSA-N 323.400 2.078 0 40 DEAB COc1cccc(CC(=O)OCC(=O)N(C)c2ccccc2)c1 61061113 UXPFAPJPUDAMKJ-UHFFFAOYSA-N 313.353 2.444 0 40 DEAB O=C1c2cccn2[C@H]2CN(Cc3ccncc3)C[C@H]2N1CC1CC1 306137797 RGPINEBKMUOKOB-ZWKOTPCHSA-N 322.412 2.174 0 40 DEAB O=C(c1n[nH]c2c1COc1ccccc1-2)N1CCSCC1 71010606 GDKUWFXIFHFXNP-UHFFFAOYSA-N 301.371 2.158 0 40 DEAB CCc1nc(C(=O)NC[C@@H]2CCCN2CC2CCCCC2)no1 548478876 LWDZPZXWTBDKQN-AWEZNQCLSA-N 320.437 2.407 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1ccccc1Cl 33400858 AXPXUIVYDBFNCB-BLTAXRJOSA-N 307.733 2.323 0 40 DEAB CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H]1CC=CCC1 521394038 VMVVTAMBYRVFPQ-LSDHHAIUSA-N 302.374 2.028 0 40 DEAB COCCn1ccc2cc(NC(=O)NC[C@@H]3CCOC3)ccc21 78441535 ICCGZVJSDNVZHP-ZDUSSCGKSA-N 317.389 2.446 0 40 DEAB Cc1nc(CNC(=O)[C@@H]2COc3ccccc3O2)sc1C 72242630 HYBXNESFTOCVQN-ZDUSSCGKSA-N 304.371 2.216 0 40 DEAB COc1ccc(NC(=O)c2cnc3sccn3c2=O)c(C)c1 32611587 WWYXJMHNGCNMCC-UHFFFAOYSA-N 315.354 2.325 0 40 DEAB Cc1cc(OC2CN(C(=O)Nc3cccs3)C2)cc(=O)n1C 238871616 NAUYSSXCIPVXSL-UHFFFAOYSA-N 319.386 2.050 0 40 DEAB CC(C)(C)c1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 42646566 CFESDTZBULSNBK-CQSZACIVSA-N 304.390 2.218 0 40 DEAB O=S(=O)(NCc1cnn2ccccc12)c1c(F)cccc1F 75162957 VVZCHXFEEOBHDF-UHFFFAOYSA-N 323.324 2.091 0 40 DEAB Fc1ccc(-c2noc([C@@H]3CCCN3Cc3ncc[nH]3)n2)nc1 49155421 DDUKZDQQVSGCCT-LBPRGKRZSA-N 314.324 2.331 0 40 DEAB biogenic,in-vitro Cc1cc(C)cc(NC(=O)c2cc(N3CCOCC3)on2)c1 224072862 AHGMDJRCEUIENE-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2c2nc(N)nc3[nH]cnc23)c1 97115340 CWDQBVIOHUDARA-CYBMUJFWSA-N 323.404 2.343 0 40 DEAB COc1ccccc1CC(=O)Nc1cnn([C@H]2CCOC2)c1 96123179 CTXRRZLCSYHNBH-AWEZNQCLSA-N 301.346 2.034 0 40 DEAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)NCCS(C)(=O)=O)cc1 96418252 IWKSYDRHSQXXFO-CABCVRRESA-N 309.431 2.074 0 40 DEAB O=C(c1ccccc1F)N1CC[C@H](O)[C@@H]1Cc1ccncc1 96200726 HZMZOZUZFPDWEL-HOTGVXAUSA-N 300.333 2.039 0 40 DEAB CCc1noc(-c2nc(-c3ccc(OC)cc3OC)no2)n1 98212393 ZOMKXBGQTSWOSC-UHFFFAOYSA-N 302.290 2.366 0 40 DEAB Fc1cnc(N[C@@H]2CO[C@@]3(CCCN(CC4CC4)C3)C2)nc1 96048529 OTFFWIMDPFXUBN-HOCLYGCPSA-N 306.385 2.061 0 40 DEAB O=C(NC[C@@H](O)c1c(F)cccc1F)[C@H]1COc2ccccc21 96437376 XXDOPQVPPAGOAS-SMDDNHRTSA-N 319.307 2.291 0 40 DEAB CC[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1noc(C)n1 97234454 ZFQIUBNXPKSGFF-QWHCGFSZSA-N 318.381 2.489 0 40 DEAB O=C(COc1cc(Cl)cc(Cl)c1)NCCn1ccnc1 96430590 FREHNGGEVDDGHD-UHFFFAOYSA-N 314.172 2.385 0 40 DEAB COC(=O)[C@H](NC(=O)c1cc2ccccc2o1)c1cccnc1 96495859 RPAWJRSROXVZKG-OAHLLOKOSA-N 310.309 2.472 0 40 DEAB Cc1ccc(CN2C[C@H](OCc3ccccn3)[C@H]3COC[C@H]32)o1 96185104 ISYRKYFIUMVTAI-KSZLIROESA-N 314.385 2.399 0 40 DEAB CC(C)(C)SCC(=O)NC1CCN(C[C@@H]2CCOC2)CC1 96412726 GLBMRSIZCHREGS-ZDUSSCGKSA-N 314.495 2.135 0 40 DEAB Cc1cc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)ccn1 96420819 JWUVXCORGAMATJ-QGZVFWFLSA-N 311.385 2.230 0 40 DEAB O=C1OC2(CCOCC2)CN1c1cc([C@@H]2CCCNC2)ccn1 257327602 XCAKIPYMVYTEAW-CQSZACIVSA-N 317.389 2.054 0 40 DEAB O=C(Cc1cccnc1)N1CCN(c2cccc(F)c2F)CC1 265181507 KWDHXEIVPDIAAG-UHFFFAOYSA-N 317.339 2.251 0 40 DEAB CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cccc2ccoc12 457350468 RTGDNOWEUIGOBM-SNVBAGLBSA-N 311.359 2.307 0 40 DEAB COCCOCOc1cc(C(=O)OC)ccc1Br 95698700 BQMADSODFKMEPC-UHFFFAOYSA-N 319.151 2.235 0 40 DEAB in-vitro CCO[C@@H]1CSC2(C1)CN(C(=O)[C@H]1Cc3ccccc3O1)C2 575402583 CNZLQYAKUCVMCF-DZGCQCFKSA-N 319.426 2.113 0 40 DEAB Cn1c(=O)n(CC(=O)Oc2ccc3c(c2)CCC3)c2ccccc21 54800447 PJKQTLLCVDKQNY-UHFFFAOYSA-N 322.364 2.434 0 40 DEAB COCCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1cccc(C)c1C 57982503 JTDDWZVOWSATFB-GOEBONIOSA-N 305.374 2.314 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@H](C)OC[C@H]1C 55259312 VECDGTXTAGUJML-ZJUUUORDSA-N 318.402 2.158 0 40 DEAB CCN(CC)C(=O)N1CCN(Cc2nc(C)c(C)s2)CC1 88573961 VJDPJLOFPUYTIG-UHFFFAOYSA-N 310.467 2.339 0 40 DEAB C[C@@H](NC(=O)NCc1ccccc1)c1nc(-c2ccncc2)n[nH]1 5001915 DYVZXWFXWJHGPG-GFCCVEGCSA-N 322.372 2.427 0 40 DEAB O=C(Nc1c[nH]c2ccccc12)c1cnc(N2CCOCC2)nc1 12192740 HBXWOLIXMAZRLH-UHFFFAOYSA-N 323.356 2.047 0 40 DEAB C=C1C2=C(Nc3nnnn3[C@H]2c2ccccc2)C(=O)N1CCCC 15080039 TXHHEVWYYAPCDF-HNNXBMFYSA-N 322.372 2.098 0 40 DEAB Cc1ccc(S(=O)(=O)CCC(=O)NC(C2CC2)C2CC2)cc1 24465286 QAWIBJXHFOFTMI-UHFFFAOYSA-N 321.442 2.464 0 40 DEAB COc1ccccc1Nc1nnc(S[C@@H](C)C(N)=O)s1 3494524 OJTGWCZICPBROK-ZETCQYMHSA-N 310.404 2.256 0 40 DEAB O=C1c2ccccc2S(=O)(=O)N1CCOc1ccccc1F 6790605 FERQKCHCUFZOAJ-UHFFFAOYSA-N 321.329 2.049 0 40 DEAB O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCCCCC1 6787771 JQGWVHKEEOKKRC-UHFFFAOYSA-N 311.403 2.413 0 40 DEAB CN1CCCC[C@@]2(CN(Cc3cccc(F)c3F)CCO2)C1=O 2037984064 OUVHJVKCARULRI-QGZVFWFLSA-N 324.371 2.178 0 40 DEAB CN1CCN([C@@H](CNC(=O)C2CCCC2)c2ccsc2)CC1 22794248 JFMTYXDAYZRCEV-INIZCTEOSA-N 321.490 2.343 0 40 DEAB O=C(Cc1cccc(F)c1)N1CCN(Cc2cccnc2)CC1 40479763 AMRAMALYVJLSLM-UHFFFAOYSA-N 313.376 2.108 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2)nc1)[C@@H]1CCCO1 31122741 GDMPDOTZLVNUMM-HIFRSBDPSA-N 318.421 2.049 0 40 DEAB C[C@]12CNC[C@@](c3ccccc3)(CN(Cc3ccccc3)C1)[C@H]2O 100794907 JWSPFVDKCPXUQZ-ACRUOGEOSA-N 322.452 2.411 0 40 DEAB biogenic CC(C)Oc1cccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)c1 40548751 DREVLGZAHYSELR-MRXNPFEDSA-N 320.414 2.401 0 40 DEAB Cc1nc(O)sc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 32902714 XTOCLKBSZXVOSR-ZETCQYMHSA-N 316.379 2.336 0 40 DEAB Cc1ccc2[nH]c(SCC(=O)N3CCOCC3)nc2c1C 207926 VDUWIIQLLGJVEE-UHFFFAOYSA-N 305.403 2.131 0 40 DEAB O=C1CN(C(=O)COC(=O)C2CCCCC2)c2ccccc2N1 2633420 UYUNWOGEQQSDKN-UHFFFAOYSA-N 316.357 2.095 0 40 DEAB CCCc1nc(C)c(C(=O)N[C@@H]2CCc3nccn3C2)s1 97197648 PTUAOPRGNUSWGX-LLVKDONJSA-N 304.419 2.345 0 40 DEAB Cc1nn(C)c(Cl)c1S(=O)(=O)NC1CCCCCC1 47332154 HVQMJNIVLDTCPE-UHFFFAOYSA-N 305.831 2.383 0 40 DEAB CCCc1nc(C)c(C(=O)N2CCC(C(=O)NC)CC2)s1 42857850 FSHAYNHHMZSQNQ-UHFFFAOYSA-N 309.435 2.002 0 40 DEAB CN(C(=O)CCn1cnc2ccccc2c1=O)c1ccccc1 12459060 ROWXXUSEEFBMLW-UHFFFAOYSA-N 307.353 2.450 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2ccco2)c(C)c1 57472131 CPMVFPRCFWGDOQ-UHFFFAOYSA-N 303.314 2.070 0 40 DEAB Cc1cc(COC(=O)CCNC(=O)c2ccccc2C)on1 25815381 CRYLDLSJFFJMAS-UHFFFAOYSA-N 302.330 2.155 0 40 DEAB COc1cc(Cl)ccc1CNC(=O)NC[C@@H]1CCCN1C 107839975 QTDHAZMJMNEWAU-ZDUSSCGKSA-N 311.813 2.242 0 40 DEAB CC(=O)c1csc(C(=O)N(C)c2c(F)cccc2C(N)=O)c1 97103506 JIEHWMYXWRELRZ-UHFFFAOYSA-N 320.345 2.465 0 40 DEAB CCOC(=O)c1c(NC(=O)/C=C\C(=O)O)sc2c1CCCC2 101029150 PYNITJGYUNEGPQ-FPLPWBNLSA-N 323.370 2.383 0 40 DEAB CCOC(=O)C1=C(N)N(c2ccc(Cl)c(Cl)c2)C(=O)C1 3235955 YHDNOZQSUWFGKX-UHFFFAOYSA-N 315.156 2.464 0 40 DEAB C[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 96502590 HXJCUUCTFYIVMV-ZFWWWQNUSA-N 316.405 2.019 0 40 DEAB Cc1cc(CN(C)C(=O)Nc2cccnc2-n2cccn2)no1 48197474 JTOAVBDOXNQFMR-UHFFFAOYSA-N 312.333 2.228 0 40 DEAB C[C@@H](O)CNCCNCc1ccc(OCc2ccccc2)cc1 22075039 JKJGCSYBRISKNI-MRXNPFEDSA-N 314.429 2.326 0 40 DEAB CC1CCN(c2ccc(CNC(=O)c3cnccn3)cn2)CC1 44954297 DKJNMLAOLLUJHH-UHFFFAOYSA-N 311.389 2.038 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc(Cl)s2)C1 44971210 PIDKMZDVUQNJJY-SNVBAGLBSA-N 315.826 2.212 0 40 DEAB Cc1nc(COc2ccc(N(C)S(C)(=O)=O)cc2)oc1C 58407246 BMDBELWTPAUCDD-UHFFFAOYSA-N 310.375 2.266 0 40 DEAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(O)nc1 11083503 BAZVARQVVPUUDZ-UHFFFAOYSA-N 322.368 2.304 0 40 DEAB O=C(Cc1ccc2c(c1)CCCC2)Nc1nn2cnnc2s1 8768973 HPJYAZWRXYBSET-UHFFFAOYSA-N 313.386 2.246 0 40 DEAB COc1ccc(NC(=O)CCN2CCSC2=O)c(OC)c1 12928321 BVICDIDHANWJMK-UHFFFAOYSA-N 310.375 2.201 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1OC 13171040 FFEGJCPCEYPDQR-LBPRGKRZSA-N 307.346 2.031 0 40 DEAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](C(=O)O)C2)cc1 13260754 ZLFCVWAWCZYHOK-AWEZNQCLSA-N 313.357 2.118 0 40 DEAB NC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 8944679 VLAPPWUVDNEMMR-WFASDCNBSA-N 322.430 2.129 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1(C)C 65553170 HMXZEWZFKOELFW-KLHDSHLOSA-N 306.450 2.204 0 40 DEAB COc1cc(C)c(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1OC 14113379 IXZKAFCKFAFFCV-LBPRGKRZSA-N 323.393 2.034 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)/C=C/c1cccs1 4628331 QCLDKACNLLRAEG-FNORWQNLSA-N 322.411 2.356 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)c1ccc(OC)c(OC)c1OC 66137489 AMKKFHAOBZJVTI-LBPRGKRZSA-N 324.421 2.173 0 40 DEAB COc1cc(F)cc(CNC(=O)Nc2c[nH]c(=O)c(C)c2)c1 93093406 YCZQQUVJVQPUDU-UHFFFAOYSA-N 305.309 2.153 0 40 DEAB Cc1cc(C)c2nc(NC(=O)c3ccc(=O)n(C)n3)sc2c1 14861709 LRUKGHYJCCZDSY-UHFFFAOYSA-N 314.370 2.259 0 40 DEAB Nc1nc(COC(=O)c2ccco2)nc(Nc2ccccc2)n1 5701959 SUTWDSLBGOCHJQ-UHFFFAOYSA-N 311.301 2.147 0 40 DEAB O=C(COC(=O)c1n[nH]c2ccccc12)NCc1cccs1 4823313 PHPOEEZAUNJPMO-UHFFFAOYSA-N 315.354 2.098 0 40 DEAB CC(C)N1C[C@@H](C(=O)N[C@H](C)CCc2ccccc2)CC1=O 8273499 XBLVGSGSUPWHQZ-ZBFHGGJFSA-N 302.418 2.381 0 40 DEAB C[C@H](NC(=O)NCc1ccccc1F)C(=O)N1CCCC[C@H]1C 69414330 OMCHOWAWQOCZGJ-OLZOCXBDSA-N 321.396 2.414 0 40 DEAB Cc1ccc(NC(=O)N[C@@H](C)CN2CCN(C)CC2)cc1Cl 69657740 GKROLXFRCUOUGX-ZDUSSCGKSA-N 324.856 2.406 0 40 DEAB Cc1ccc([C@@H](NC(=O)CN2CCC[C@@H]2CO)C2CC2)cc1 69705898 CGFNHDFTCVICJA-SJLPKXTDSA-N 302.418 2.019 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2Cc3ccccc3O2)C1 69774725 BNMDQADVXVXSEW-NVXWUHKLSA-N 311.385 2.359 0 40 DEAB c1ccc(-c2ncc(CNC[C@H]3CN(C4CC4)CCO3)cn2)cc1 69870098 DWBNJJAPDTZDNC-SFHVURJKSA-N 324.428 2.096 0 40 DEAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn(C(C)(C)C)c1 69897638 KUGUWXPLASSXFF-HUUCEWRRSA-N 304.438 2.337 0 40 DEAB CN1CCO[C@H](CNCc2nc(-c3ccccc3)cs2)C1 69894979 SOEYFVKYEOCENX-CQSZACIVSA-N 303.431 2.230 0 40 DEAB C[C@H](NC(=O)NCC(=O)N(C)CC(F)(F)F)C1CCCCC1 96440822 SNWTXUFCNKOPLM-JTQLQIEISA-N 323.359 2.275 0 40 DEAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2nccnc2N)CC1 96426722 UUVNFZQMVWMKTJ-RUXDESIVSA-N 318.421 2.259 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2Cn2cccn2)n1 71866514 SXYYAZKYEQMACF-ZDUSSCGKSA-N 317.393 2.013 0 40 DEAB CCN1CCC[C@H]1CNS(=O)(=O)c1cc(F)ccc1Cl 97002806 SXTUHGNHDSCXOC-NSHDSACASA-N 320.817 2.242 0 40 DEAB Cc1nncn1CCNC(=O)c1ccnc(SC(C)(C)C)c1 97048375 YCPGIDDLPFQZKS-UHFFFAOYSA-N 319.434 2.302 0 40 DEAB CN(Cc1cn(C)nc1-c1ccccc1)C1CCS(=O)CC1 97033974 HYPZXLWETUWSGT-UHFFFAOYSA-N 317.458 2.430 0 40 DEAB Cc1cccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2C)c1 72300193 PCHQHIBOAADJQV-OAHLLOKOSA-N 319.430 2.353 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C(=O)c1ccc(Cl)s1)C1CC1 72282022 VLPHCJLFOWUFPF-QMMMGPOBSA-N 321.851 2.439 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3cscn3)C2)n1 72235565 LFJBVCOYZAGVSV-AWEZNQCLSA-N 319.434 2.148 0 40 DEAB CC[C@H](NC(=O)c1c[nH]c(C)cc1=O)[C@H](O)c1ccccc1F 97228198 RZABUKGWHOLCNF-GOEBONIOSA-N 318.348 2.064 0 40 DEAB S=C(NC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2)C1 84525602 OIEXUTLGSIPKGC-LSDHHAIUSA-N 306.431 2.113 0 40 DEAB Cc1cc(NCCN[C@@H]2CCCCC2(C)C)n2ncnc2n1 95457179 MYORVHOFFXBSCZ-CYBMUJFWSA-N 302.426 2.403 0 40 DEAB O=C(CC[C@@H]1CCCCO1)NC1(C(=O)NCC2CC2)CCCC1 95408037 YSKBECQKHIWVJK-HNNXBMFYSA-N 322.449 2.291 0 40 DEAB CCN1CCC2(CC1)N=C(c1ccc(OC)cc1)C(=S)N2 98212449 WYTITUYWDRHXSV-UHFFFAOYSA-N 303.431 2.227 0 40 DEAB CCc1ncnc(N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1F 95983464 XIKJEKBNOVAXLU-CYBMUJFWSA-N 319.384 2.106 0 40 DEAB C[C@@H](CC(=O)O)NC(=O)c1cc(-c2ccccc2Cl)[nH]n1 95970356 SBKQUGOBNHVMCO-QMMMGPOBSA-N 307.737 2.323 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(C(C)C)[nH]n1 95980314 OSWZJRUIGVEBJC-AWEZNQCLSA-N 317.393 2.087 0 40 DEAB COC(=O)[C@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@@H](C)O1 89496930 JTOHXOYYQZBNFE-MLGOLLRUSA-N 316.357 2.104 0 40 DEAB O=C(NC[C@H]1C[C@]12CCc1ccccc12)c1ccc2nncn2c1 89858029 KDQIYDWTAIBNFS-DNVCBOLYSA-N 318.380 2.363 0 40 DEAB O=C(NCC1CCC1)N1CCCN(C(=O)c2ccccc2)CC1 89822956 VFTUGQKCHXDLSS-UHFFFAOYSA-N 315.417 2.344 0 40 DEAB CC(=O)CC(C)(C)NC(=O)CCN(Cc1ccccn1)C1CC1 89914127 FJQDTKMAUWZBHD-UHFFFAOYSA-N 317.433 2.310 0 40 DEAB CCOCCN1CCN(c2ncnc3sccc23)C[C@@H]1C 75584707 PNXGIDLXYKOANU-LBPRGKRZSA-N 306.435 2.238 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cn(C)nc2C)c1 28237276 ZUPPBMDPDYGXKU-SNVBAGLBSA-N 303.362 2.237 0 40 DEAB CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CCCC1 30870013 NBJXWWXXQQIBPT-UHFFFAOYSA-N 314.385 2.464 0 40 DEAB CC(C)N(CC(=O)O)C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 79392392 GLPVGADMDZMGDF-GFCCVEGCSA-N 300.399 2.038 0 40 DEAB O=C(O)CN(CC1CCN(Cc2ccccc2)CC1)C1CC1 79393468 BWABOEZDJUTTKJ-UHFFFAOYSA-N 302.418 2.448 0 40 DEAB Cc1cc(C)nc(N2CCC(c3ccnc(N(C)C)n3)CC2)n1 72369193 FMHOSRYKCAXCFV-UHFFFAOYSA-N 312.421 2.333 0 40 DEAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccccc2)cc1OC 72227036 XOHSQHZBOGAIHT-DLBZAZTESA-N 312.369 2.115 0 40 DEAB COc1cccc([C@@H](O)CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 78929742 YLWXWHQBSCGMLX-WCQYABFASA-N 318.200 2.429 0 40 DEAB CN(Cc1ccncc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 72552923 LYICYUROIVSXQH-HNNXBMFYSA-N 315.377 2.121 0 40 DEAB CC/C=C(/C)C(=O)N(CCCO)S(=O)(=O)c1cccs1 78556575 AXWYNABNQBNGBC-WDZFZDKYSA-N 317.432 2.004 0 40 DEAB CCN(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](C)N 79404481 OQAPIUONOOXKQG-RDJZCZTQSA-N 303.450 2.094 0 40 DEAB CCOC(=O)C1=NN(c2cc(C)ccc2C)[C@@](C)(C(=O)O)C1 71979575 HQYUJPFERNQCCI-MRXNPFEDSA-N 304.346 2.276 0 40 DEAB Fc1ccc(F)c(C[C@H]2CCCN2c2nccn3nnnc23)c1 562820666 UOUFLWUEUOUVBC-GFCCVEGCSA-N 316.315 2.009 0 40 DEAB CCS(=O)(=O)N(C)c1ccc(C(=O)NCC(C)(C)C)cc1 225965150 VNCLEZOQXCUTDA-UHFFFAOYSA-N 312.435 2.248 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)Nc1cc(-c2ccccc2)on1 85610551 DREWLUDQYVWRII-NSHDSACASA-N 312.333 2.143 0 40 DEAB Cn1nccc1CS(=O)(=O)Cc1nc(C(C)(C)C)cs1 194434531 JFQKQFHMLPFEOQ-UHFFFAOYSA-N 313.448 2.289 0 40 DEAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccs1 223602590 UGZPBHJLKYBFDM-ZIAGYGMSSA-N 319.455 2.498 0 40 DEAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](C)C(=O)NCC 224006795 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DEAB C[C@@H]1CN(CN2C(=O)S/C(=C\c3ccco3)C2=O)C[C@@H](C)O1 28640795 GOEKNDBVZFVRRX-AZMCLKLJSA-N 322.386 2.383 0 40 DEAB O=C(Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1 9521611 CCAJSAFKXCJNOV-UHFFFAOYSA-N 324.380 2.307 0 40 DEAB Cc1nc([C@@H]2CCCCCN2S(=O)(=O)c2cccnc2)no1 96000590 INGOKHHIGXRBSN-ZDUSSCGKSA-N 322.390 2.079 0 40 DEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)C2CCC2)c1C 7924137 HYYOMDMSGDGWQF-UHFFFAOYSA-N 310.419 2.292 0 40 DEAB Cc1oc(-c2ccco2)nc1CN1C[C@H](C(N)=O)CC[C@@H]1C 69382283 TZEANPOXUYTFCV-CMPLNLGQSA-N 303.362 2.329 0 40 DEAB CSCc1ccc(CNCC2CCN(C[C@@H](C)O)CC2)o1 69349950 FHNDFFJGNIKZCP-CYBMUJFWSA-N 312.479 2.325 0 40 DEAB Cc1csc(N2CCN(Cc3cn4ccccc4n3)CC2)n1 69326654 FSYHYLHUNICTQX-UHFFFAOYSA-N 313.430 2.421 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)Nc2cc(Cl)ccc2F)c1C 69581709 MJSNEHCCKQDILM-UHFFFAOYSA-N 309.728 2.442 0 40 DEAB CSc1cncc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 97162960 UHAIEYAGMUGBDD-CQSZACIVSA-N 322.478 2.280 0 40 DEAB CC(C)(CNc1ncnc2sc3c(c12)CCCC3)C(N)=O 71955480 RODOYRTZKXBPRF-UHFFFAOYSA-N 304.419 2.494 0 40 DEAB Cc1ccc(OCCCC(=O)N[C@H]2CCc3nccn3C2)cc1 97197435 JYZCPTNHFXPBOU-HNNXBMFYSA-N 313.401 2.482 0 40 DEAB COc1ccc(CNC(=O)NCCc2ccc(F)cc2)cn1 9736338 RHGAMCKTSFSBNU-UHFFFAOYSA-N 303.337 2.271 0 40 DEAB Cc1cc(NC(=O)c2sccc2OC(F)F)nc(O)n1 97082733 MVZNFPHLUPYCMJ-UHFFFAOYSA-N 301.274 2.406 0 40 DEAB Cc1cccc(NC(=O)Cn2cc(C(N)=O)nc2C2CC2)c1C 97016405 PTVHBGCZXLQCGN-UHFFFAOYSA-N 312.373 2.115 0 40 DEAB O=C1OCCN1c1cccc2c1CCN(C[C@@H]1CCCOC1)C2 95426335 CLTGKXGMNRFXNY-AWEZNQCLSA-N 316.401 2.428 0 40 DEAB CCCc1nn(Cc2c(C(=O)OC)oc3ccccc23)c(=O)o1 95416451 JXHYMYYVSJOGGF-UHFFFAOYSA-N 316.313 2.370 0 40 DEAB COc1cccc(SCC(=O)N(CCC(=O)O)C2CC2)c1 95969860 WUFIEQUTTVOFOU-UHFFFAOYSA-N 309.387 2.253 0 40 DEAB Cc1noc(C)c1CNC1CCN(C(=O)c2ccco2)CC1 95949231 KWMIVSHZFGKYJF-UHFFFAOYSA-N 303.362 2.279 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)COc1cccc(C(F)(F)F)n1 95990910 SGRSWYWVZTVKEY-UHFFFAOYSA-N 314.267 2.458 0 40 DEAB O=C(c1cccc2ccccc12)N1CCOC[C@@H]1c1ncon1 95981432 DTOJIYDMHVGBMR-OAHLLOKOSA-N 309.325 2.437 0 40 DEAB CC(C)n1cc(S(=O)(=O)N2CCSc3ncccc32)cn1 89894062 AKRMHJWTMOAQRT-UHFFFAOYSA-N 324.431 2.160 0 40 DEAB Cc1ccc(CNCC[C@](O)(c2nccn2C)C(F)(F)F)o1 67698942 VUPONBYZFNJKGR-ZDUSSCGKSA-N 317.311 2.251 0 40 DEAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306144481 ZGJDOLJHBWRWHF-OAHLLOKOSA-N 316.401 2.016 0 40 DEAB CCC1(c2ccccc2)CN(C(=O)c2cccn3c(O)nnc23)C1 515042371 WNLPIDHHGMSCGC-UHFFFAOYSA-N 322.368 2.239 0 40 DEAB O=C(O)CCCS(=O)(=O)N1CCC[C@H]1/C=C/c1ccccc1 521997633 RDRSYFMRXBIFCQ-NKSUMMKUSA-N 323.414 2.359 0 40 DEAB Cc1nc2c(c(=O)[nH]1)CN(Cc1cccc3cccnc13)CC2 72347453 CXVOPWZCZMVXFM-UHFFFAOYSA-N 306.369 2.185 0 40 DEAB COCC(=O)Nc1ncc(Cc2cccc(C(=O)OC)c2)s1 79336509 DGBOWRKADKYENY-UHFFFAOYSA-N 320.370 2.105 0 40 DEAB Cc1ccc2nc(NC(=O)C[C@@H]3SC(=O)NC3=O)sc2c1 32597877 HSYIAMKPQBHYMV-VIFPVBQESA-N 321.383 2.285 0 40 DEAB O=C(Cc1c[nH]c2cc(F)ccc12)N(C1CC1)[C@H]1CCNC1 564806788 BYVAZOVVUDOKIU-AWEZNQCLSA-N 301.365 2.202 0 40 DEAB CCOC1CCN(C(=O)N[C@H]2CCN(c3ccccc3)C2)CC1 78605481 CDBNYOPCVGVSGF-HNNXBMFYSA-N 317.433 2.476 0 40 DEAB COC(=O)c1cc2c(=O)[nH]c(-c3ccc(Cl)cc3)cn2n1 71328507 ZYIQDROIZMLJTH-UHFFFAOYSA-N 303.705 2.130 0 40 DEAB C[C@@H]1C[C@@H](C(=O)O)CN(C(=O)Cc2ccc3c(c2)CCCO3)C1 567878602 BUVRZEOLFUOSEH-IUODEOHRSA-N 317.385 2.123 0 40 DEAB CCOC(=O)c1sc(NC(=O)c2n[nH]nc2C)nc1C(C)C 193122662 RQROIQCWJBSFBC-UHFFFAOYSA-N 323.378 2.122 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)c1cc(C2CC2)[nH]n1 88362409 CXXWSPCPMFJTKT-VXGBXAGGSA-N 305.378 2.139 0 40 DEAB Cc1nc(NC(=O)c2nnn(-c3ccc(F)cc3)n2)sc1C 75163605 SFVLJKCUXJOHFB-UHFFFAOYSA-N 318.337 2.127 0 40 DEAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 222419638 HGGBDSRGLYPJOH-IKIFYQGPSA-N 308.381 2.418 0 40 DEAB Cc1cc(C)cc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 224350080 NPCPFDKNTLLNRC-UHFFFAOYSA-N 313.405 2.478 0 40 DEAB CN(Cc1cccc(F)c1)C(=O)c1cnc2ccccn2c1=O 44895628 YZZRRLXNZZBNPB-UHFFFAOYSA-N 311.316 2.106 0 40 DEAB NC[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccccc1Cl 195544594 CZGMKRKQSFLHSD-BXUZGUMPSA-N 316.854 2.277 0 40 DEAB O=S(=O)(c1ccoc1)N1CCCN2c3ccccc3C[C@@H]2C1 577620420 JKLRVOQWSXGSRE-CQSZACIVSA-N 318.398 2.105 0 40 DEAB Nc1ccc2c(NC[C@]3(O)CCCc4ccccc43)ncnc2n1 90092180 LCJKWQYXNFRFFL-GOSISDBHSA-N 321.384 2.243 0 40 DEAB C[C@@H](NC1CCOCC1)c1ccc(OCC(=O)NC2CC2)cc1 95420493 RWVDXSFQSWCGCB-CYBMUJFWSA-N 318.417 2.174 0 40 DEAB O=C([C@H]1CCCO1)N1CC[C@@H](OCCCc2ccccc2)C1 96456462 WSQHETPOAMIMFI-IAGOWNOFSA-N 303.402 2.416 0 40 DEAB O=C(c1ccncc1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158272 YHJMPWGJMJWYMQ-SFHVURJKSA-N 323.400 2.004 0 40 DEAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1cc(F)c(F)c(F)c1 96450773 OFHPMEKYJLLXPN-BXUZGUMPSA-N 319.348 2.480 0 40 DEAB O=C1NC2(CCN(Cc3ccncc3)CC2)C[C@H]1c1cccnc1 96087437 XJBOMYHVCWLFNF-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCN(Cc2ccccn2)CC1 247873610 MRZSEKZSYZIOQU-KBAYOESNSA-N 323.440 2.328 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 257283444 OYIZUFXFMBYTJA-CYBMUJFWSA-N 313.357 2.087 0 40 DEAB CO[C@H]1CCCOC12CCN(C(=O)Cc1c(C)noc1C)CC2 257332862 XZBLIOZTAMDNCV-HNNXBMFYSA-N 322.405 2.021 0 40 DEAB COc1ccc(CCC(=O)N2CC[C@@H](c3ncon3)C2)cc1 253472739 ORIBZRZCINUZTP-CYBMUJFWSA-N 301.346 2.027 0 40 DEAB C=CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1 51625972 NPZKRNNCGFQCRS-LLVKDONJSA-N 318.373 2.271 0 40 DEAB COc1ccc(S(=O)(=O)N2c3cc(N)ccc3C[C@H]2C)cc1 260746721 XZEQZQDORCWVRD-LLVKDONJSA-N 318.398 2.417 0 40 DEAB CN(C)c1noc(COc2ccc3c(c2)OC(C)(C)CC3=O)n1 283561564 PFEBQOXGPPFFEO-UHFFFAOYSA-N 317.345 2.458 0 40 DEAB Cc1ccccc1C[C@@]1(CO)CN(Cc2ccncc2)CCO1 585275532 GAXDKAVGHHFQLP-IBGZPJMESA-N 312.413 2.196 0 40 DEAB Cn1c(Cn2c(=O)oc3cc(Cl)ccc32)nnc1C1CC1 69570733 SVFWDOKLUNOLCA-UHFFFAOYSA-N 304.737 2.302 0 40 DEAB Cc1cccc(-c2noc(CN[C@H]3CCc4nc(C)nn4C3)n2)c1 69969374 UDCQNCRMWMLVPY-AWEZNQCLSA-N 324.388 2.050 0 40 DEAB CC(=O)Nc1nc(C(=O)N[C@@H]2CCOc3ccccc32)cs1 48099985 DPPHYKCQZVUQTM-LLVKDONJSA-N 317.370 2.355 0 40 DEAB C[C@H](C(=O)O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 51660210 HSLNDLNYTMEBQA-LLVKDONJSA-N 311.451 2.031 0 40 DEAB CCc1nc(C)c(C(=O)NCCn2c(C)n[nH]c2=S)s1 72304170 JEIXHXSHSRSNJA-UHFFFAOYSA-N 311.436 2.006 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@H](COc3ccncc3)C2)cn1 1776000667 DXMXPWPKDPASKD-AWEZNQCLSA-N 312.373 2.111 0 40 DEAB Cc1ccccc1C1(C(=O)N2CCC[C@@H](n3cncn3)C2)CC1 75602624 NJTLYARGTHTWLJ-OAHLLOKOSA-N 310.401 2.482 0 40 DEAB O=C(C1CCC1)N1CCC(S(=O)(=O)Cc2ccccc2)CC1 96559865 QSRWRXPLXWWBTI-UHFFFAOYSA-N 321.442 2.393 0 40 DEAB CC[C@@H](CCc1ccccc1)NS(=O)(=O)C[C@H]1CCCCN1 1573699048 JFAPCUFIZMOTPU-DLBZAZTESA-N 324.490 2.459 0 40 DEAB CC(C)(C)c1ccc2c(c1)CN(C(=O)CSCC(N)=O)CC2 97237100 ZEUVZUGFWROXQK-UHFFFAOYSA-N 320.458 2.087 0 40 DEAB COc1cc(C)ccc1O[C@@H](C)C(=O)NCc1cc(C)ncn1 585360307 ZBXDLMNSFQGTSW-ZDUSSCGKSA-N 315.373 2.186 0 40 DEAB CC1(C)CC2(CCN(C3CCCC3)CC2)CN1S(C)(=O)=O 1615190464 AYMLBNDOQLBJPQ-UHFFFAOYSA-N 314.495 2.455 0 40 DEAB COc1ccc(C(=O)NCc2cccnc2)c(OC)c1OC 17168856 WBPCDXQIOBLRDC-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB C[C@H]1C[C@H]1C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19462869 YEHNQLLDSYZVOX-SMDDNHRTSA-N 311.385 2.285 0 40 DEAB CN1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3)ncc2C1 19590558 LTHALAYGZXLVBN-KRWDZBQOSA-N 322.412 2.442 0 40 DEAB O=C(O)COc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O 1688817 UOZROCYNJRNIIC-GXDHUFHOSA-N 323.304 2.495 0 40 DEAB CCn1c(=O)n(CCC(=O)NCc2ccco2)c2ccccc21 21897274 WVCSDIPOWAVLGQ-UHFFFAOYSA-N 313.357 2.122 0 40 DEAB O=C(NCc1ccccn1)c1[nH]nc2c1COc1ccccc1-2 9728568 ZJLRSYSVWGJHMK-UHFFFAOYSA-N 306.325 2.294 0 40 DEAB CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)c1ccc(C)nc1 2055729674 TXTBYGSCHHRWEF-ARFHVFGLSA-N 304.390 2.046 0 40 DEAB CC(C)N1CCC[C@]2(CC(C(=O)Nc3cccnc3)=NO2)C1 2055835328 ZFLGXGJNORDCGZ-INIZCTEOSA-N 302.378 2.039 0 40 DEAB COc1ncccc1C(=O)NCc1nccnc1-c1ccoc1 575621087 USFAZCRLBAYMIK-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB C[C@@H]1CN(c2nc3ccccc3o2)CCN1Cc1cnn(C)c1 2298060319 IIBSMFZTIZDSOZ-CYBMUJFWSA-N 311.389 2.272 0 40 DEAB CSc1nc(C)cc(N2CCC(NC(=O)C3CCC3)CC2)n1 2298174068 QLNYGLBRAXPKLB-UHFFFAOYSA-N 320.462 2.392 0 40 DEAB Cc1nnc(SCCCOc2ccccc2C(=O)O)n1C 15422812 BMNCSUSGQCOGAJ-UHFFFAOYSA-N 307.375 2.383 0 40 DEAB C[C@@H](NC(=O)CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 40090327 FTBGWBDUWSYSOS-SSDOTTSWSA-N 302.252 2.147 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cc(C)on2)cc1 40144872 WCLPFCNUNRSWIS-LLVKDONJSA-N 301.346 2.361 0 40 DEAB CCOC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1N 125736 CTENAVZLUIFZJC-UHFFFAOYSA-N 300.240 2.045 0 40 DEAB in-vitro C[C@H](OCC(F)(F)F)C(=O)NC[C@H]1COc2ccccc2C1 40523532 HJFRRKBHWUORFV-QWRGUYRKSA-N 317.307 2.321 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1C 21328464 KNFNMEYAQDZXDV-AWEZNQCLSA-N 315.348 2.215 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N(C)C2CCCC2)s1 69982312 RNKJGSYFHYXVAE-UHFFFAOYSA-N 303.405 2.098 0 40 DEAB NC(=O)[C@H]1CCCCN1C(=O)CSCCCc1ccccc1 75904211 RFOZZMATEWOOHA-OAHLLOKOSA-N 320.458 2.219 0 40 DEAB C[C@H](C(=O)Nc1nccs1)N(C)Cc1nccn1C(F)F 76091422 JZOKGVFBIYNYDD-MRVPVSSYSA-N 315.349 2.194 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](O)CO[C@H](C)c2ccccc2)no1 46870664 XGSJUDITISBXJM-TZMCWYRMSA-N 319.361 2.243 0 40 DEAB CCc1ccc([C@H](NC(=O)N2CCO[C@H](CO)C2)C(C)C)cc1 78838207 URAYJXYEIVHZQD-DLBZAZTESA-N 320.433 2.349 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(C)CC1 539454 IVMLPEIUYJCPHA-HNNXBMFYSA-N 304.390 2.212 0 40 DEAB Fc1cnc(Cl)nc1NCCNc1nc(Cl)ncc1F 3155197 XAOQXBJZLDVJMM-UHFFFAOYSA-N 321.118 2.376 0 40 DEAB CC(=O)Nc1ccc2c(c1)N(Cc1c(C)noc1C)C(=O)CO2 12295698 LEWITCCICYCQAW-UHFFFAOYSA-N 315.329 2.175 0 40 DEAB Cc1cc(Cl)ccc1OCC(=O)N1C[C@H](C(N)=O)CC[C@@H]1C 53357939 QXSVQWAQXQHDAZ-NWDGAFQWSA-N 324.808 2.140 0 40 DEAB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c2ccc(F)cc2n1 71802739 LKQDVSCNVYIYJV-UHFFFAOYSA-N 315.348 2.020 0 40 DEAB Cc1ccnc(NC(=O)c2ccccc2NS(C)(=O)=O)c1 41974703 VCIJFANXXOHPHD-UHFFFAOYSA-N 305.359 2.014 0 40 DEAB CN(C)CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1cccnc1 71885773 YPKDONFLSZKUDZ-ROUUACIJSA-N 324.428 2.171 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2sccc2c1=O 8312956 QTJZNQZLDJSNGX-JQWIXIFHSA-N 305.403 2.153 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1ccncc1 71883050 NPMOXWXUQLJPKB-ZDUSSCGKSA-N 303.312 2.369 0 40 DEAB O=C(Cc1cccs1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847697 IWJGMFLCDPYJFH-CQSZACIVSA-N 314.410 2.208 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N(C)CCn1cccn1 71897635 NMYQXSIGSWLIME-HUUCEWRRSA-N 308.426 2.120 0 40 DEAB CC[C@@H](C)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 28576907 BMMYESVPTDXUBL-KGLIPLIRSA-N 324.446 2.002 0 40 DEAB COc1ccccc1[C@@H](CNc1cc(Cl)nc(N)n1)N(C)C 24056473 RFCBIOHTMMEXGC-LLVKDONJSA-N 321.812 2.436 0 40 DEAB Cc1c(C(=O)NC2CC2)cnn1-c1ccc(C(F)(F)F)cn1 12537083 XLXMJBMIVQHLFA-UHFFFAOYSA-N 310.279 2.487 0 40 DEAB Cc1cnc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cn1 12530795 YYFKIYRNOJIMGX-OAHLLOKOSA-N 307.357 2.038 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)NCCN2CCCCCC2=O)o1 48061656 FHQOXOVENOFHRF-CYBMUJFWSA-N 307.394 2.351 0 40 DEAB CCc1ccc([C@H](N[C@@H](C)C(=O)NC(=O)NC)C(C)C)cc1 57593916 KOYRWHSUFQKNHT-SWLSCSKDSA-N 305.422 2.380 0 40 DEAB COc1cccc(N2C(=O)/C(=C/c3cccnc3)NC2=S)c1 105556771 QJWQKJRVXXTXLB-ZSOIEALJSA-N 311.366 2.352 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccc[nH]1 107806078 MSCYNEVOOONMEE-WHOFXGATSA-N 310.357 2.042 0 40 DEAB O=C(CN1CCOCC1)NCCC12CC3CC(CC(C3)C1)C2 21540420 AVADFJITWUUBEP-UHFFFAOYSA-N 306.450 2.041 0 40 DEAB C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)Cn1cccn1 44944447 JDLQDVNDHSOVNQ-CYBMUJFWSA-N 311.389 2.145 0 40 DEAB COc1ccccc1CN(CCO)C(=O)Nc1cc(C)no1 58370174 QJVJQKGIJIMBEA-UHFFFAOYSA-N 305.334 2.018 0 40 DEAB CC(C)=C[C@H]1[C@H](C(=O)NCC(C)(C)N2CCOCC2)C1(C)C 58438228 PNNQNZVQEOEJLB-LSDHHAIUSA-N 308.466 2.452 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2oc1=O 48304214 KYYILKGYMCNFGM-ZDUSSCGKSA-N 300.358 2.007 0 40 DEAB O=C(NCCNc1cnccn1)N1CCC[C@H]1c1ccsc1 48344078 ZARSHPXMZQQBEA-ZDUSSCGKSA-N 317.418 2.497 0 40 DEAB C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 3610442 AFDGKUBJBLDFEN-SFHVURJKSA-N 308.337 2.337 0 40 DEAB O=C(O)[C@@H]1CS[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1 62712162 AMUWTPNREZFCJZ-VHSXEESVSA-N 320.197 2.221 0 40 DEAB CCn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2cc(C)ccc21 408713421 YDROCXOAMOVZMA-ZDUSSCGKSA-N 314.385 2.239 0 40 DEAB COC(=O)[C@H](CO)Nc1nc(C)nc2scc(CC(C)C)c12 65585018 MXEWPUDKWOZRMG-NSHDSACASA-N 323.418 2.144 0 40 DEAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cc[n+]([O-])cc1 65517868 IXFBTFBDFWFDAN-KRWDZBQOSA-N 305.337 2.234 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)C1(c2cccc(C)c2)CCCC1 65620732 OBIFHWNDKQUMOG-CQSZACIVSA-N 302.418 2.448 0 40 DEAB CC(C)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624401 OIHUZQHQWSMXJX-UHFFFAOYSA-N 307.346 2.039 0 40 DEAB biogenic CC(C)CCn1c(=O)oc(=O)c2cnc(-c3ccccc3)nc21 66323283 VARUIMFRYOJONU-UHFFFAOYSA-N 311.341 2.458 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)c1cccs1 9247996 HQCGGPFTAZQSQT-SNVBAGLBSA-N 304.371 2.103 0 40 DEAB O=C(NCc1ccc2c(c1)OCCCO2)NCc1ccccn1 66964360 NJBJCPPQAXZNKW-UHFFFAOYSA-N 313.357 2.242 0 40 DEAB CC(C)Oc1ccc(F)cc1NC(=O)N[C@@H]1CCCCNC1=O 67298095 RVKBEPFBLSOUFN-GFCCVEGCSA-N 323.368 2.403 0 40 DEAB COc1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1F 7128139 JCSWCXBYHSZCNJ-AWEZNQCLSA-N 311.320 2.280 0 40 DEAB CCCN1C=NS(=O)(=O)c2cc(C(=O)N[C@@H](C)CC)ccc21 15867483 VVBDZLITVXJGTF-NSHDSACASA-N 323.418 2.162 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccoc2)cc1OC 16157052 PTMGDVIKIIKXNC-UHFFFAOYSA-N 305.286 2.092 0 40 DEAB CCNC(=O)CN(CC)C(=O)COc1ccc(Cl)c(C)c1 8154308 PRGOJRFRHCBKEZ-UHFFFAOYSA-N 312.797 2.012 0 40 DEAB CCC1=NN(C(=O)c2ccc(N)cc2)[C@@](O)(c2ccncc2)C1 408751575 ZRKCXYMGEDJJRR-KRWDZBQOSA-N 310.357 2.121 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H]([C@@H](C)N)C1 70173703 VYRWZECCUWOBFJ-NEPJUHHUSA-N 316.854 2.396 0 40 DEAB CCNC(=O)NC1CCN(C(=O)[C@H](CC)c2ccccc2)CC1 69587114 TVVGMZHSKOKEKX-MRXNPFEDSA-N 317.433 2.490 0 40 DEAB CC(C)(C)c1n[nH]cc1CN[C@@H]1CCCN(c2cccnn2)C1 69774104 VPQUZCNEQNGOMI-CQSZACIVSA-N 314.437 2.256 0 40 DEAB CN(CC(=O)NC[C@@H]1CCCO1)Cc1ccc(F)cc1Cl 69704766 NERYIGKHKVHNMQ-ZDUSSCGKSA-N 314.788 2.206 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N(C[C@@H]1CCCO1)[C@H]1CCSC1 69950938 NVSNGYKXTXHATG-STQMWFEESA-N 321.446 2.414 0 40 DEAB CC(C)n1ncc2c(C(=O)NCCO)cc(-c3ccccc3)nc21 96971863 AIRVGFDUFZWBBM-UHFFFAOYSA-N 324.384 2.401 0 40 DEAB CC[C@@H](N)C(=O)Nc1nc2cc3c(cc2s1)OC(F)(F)O3 97019135 NRQIFKIOJBHJCK-RXMQYKEDSA-N 315.301 2.294 0 40 DEAB COc1cc(C)sc1C(=O)OCCNC(=O)c1cccnc1 72289715 MIYWDBNYTJNCTL-UHFFFAOYSA-N 320.370 2.047 0 40 DEAB COc1cccc(CNC(=O)CNC(=O)CC2CCCC2)c1 72280519 ICQPVIOFBPFYEM-UHFFFAOYSA-N 304.390 2.008 0 40 DEAB c1ccc2c(c1)CC[C@H]2NC[C@]1(N2CCOCC2)CCSC1 95420884 DMKZDBKOFRVVMP-QZTJIDSGSA-N 318.486 2.471 0 40 DEAB CN1CCN(C[C@H](O)COCc2ccco2)c2ccccc21 95431963 FBLFDIBJEIOECP-AWEZNQCLSA-N 302.374 2.114 0 40 DEAB COc1ccc2c(c1)OC[C@@H](C(=O)Nc1cc(O)cc(O)c1)C2 95448264 WUHKSPAPZAZVCP-NSHDSACASA-N 315.325 2.296 0 40 DEAB COc1ccccc1CN(C(=O)c1ccc(C)[nH]c1=O)C1CC1 75120604 DJLGJJMOCMWBFY-UHFFFAOYSA-N 312.369 2.497 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@H]2CCC[C@@H]2O)cn1 89694396 NURNHVMOSDNMIW-YPMHNXCESA-N 312.435 2.227 0 40 DEAB NC(=O)c1n[nH]c2ccc(NCc3cccc4c3OCCO4)cc12 89774312 LHHIEFAPVFNWIR-UHFFFAOYSA-N 324.340 2.045 0 40 DEAB CC(C)Oc1ccc(NC(=O)N[C@H]2CCN(C3CC3)C2=O)cc1 89888044 QIFORGWSBJAUTL-HNNXBMFYSA-N 317.389 2.359 0 40 DEAB CC(=O)N1CC[C@@H](C(=O)N2C[C@H](C(C)C)Nc3ccccc32)C1 89802151 IPXJKVPZCQFJNK-GDBMZVCRSA-N 315.417 2.338 0 40 DEAB CCS(=O)(=O)N1c2ccc(C(=O)NC(C)(C)C)cc2C[C@H]1C 20448855 GPFMQLMWGSIFAP-LLVKDONJSA-N 324.446 2.316 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@@H]2COCc1ccccn1 306137962 RLCUJOXZPGGXIL-CQSZACIVSA-N 304.390 2.016 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)C1CC1 188947980 CCQDBJSIMCDNDG-MELADBBJSA-N 310.463 2.178 0 40 DEAB O=C(Cn1cncn1)N1CCS[C@H](c2ccccc2F)CC1 219117835 COVYUMDLEJNDMQ-AWEZNQCLSA-N 320.393 2.124 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)NC[C@@H](O)c1ccccc1 33736421 QZTFRVXLXPDXCC-LOWQCSRCSA-N 311.337 2.278 0 40 DEAB Cc1cc(N2CCC[C@H](c3nccnc3-n3ccnc3)C2)ncn1 72359251 ZXZASXPUBYXUMA-AWEZNQCLSA-N 321.388 2.145 0 40 DEAB O=C(CSc1ccc(F)cc1)N1CC(Nc2ccncn2)C1 670957692 FPNITKSBKXSUCG-UHFFFAOYSA-N 318.377 2.031 0 40 DEAB O=C(NCc1ccco1)C1CCN(C(=O)c2ccccc2)CC1 36171488 DJXLSJUDKQEKQS-UHFFFAOYSA-N 312.369 2.448 0 40 DEAB CCn1cc(CN(C)Cc2cnnn2Cc2ccccc2)cn1 565811145 OQCRLAZDJGDQFI-UHFFFAOYSA-N 310.405 2.175 0 40 DEAB CC[C@@](NC(=O)c1ccc(F)c(Cl)c1)(C(N)=O)C(C)C 182523160 HCZPWNMKDIEYOR-AWEZNQCLSA-N 300.761 2.499 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N[C@H](C)[C@@H](C)CO)no1 77681782 DSESFZPUCUXZCA-VHSXEESVSA-N 304.350 2.183 0 40 DEAB Cc1nc(-c2ccc(N3CCC[C@@H](C(=O)O)C3)c(F)c2)no1 72264981 HIWPWSFHQDEPLE-LLVKDONJSA-N 305.309 2.485 0 40 DEAB CCOC(=O)Nc1ccc(C(=O)NCCN2CCCCC2)cc1 40534236 VPKMQQSJDWOPKB-UHFFFAOYSA-N 319.405 2.471 0 40 DEAB CC(C)c1nnc(CN2CCC[C@@H]2C(=O)Nc2nccs2)o1 79311636 NKQMIHKCYLFLRD-SNVBAGLBSA-N 321.406 2.253 0 40 DEAB C[C@]1(NC(=O)C2CCOCC2)CCN(Cc2ccccc2)C1 564338265 SLECESINDBDTAH-SFHVURJKSA-N 302.418 2.194 0 40 DEAB Cc1ncc(C(=O)N(C)Cc2nnc[nH]2)c(Cl)c1Cl 225726296 CHLWCYGATIZUPU-UHFFFAOYSA-N 300.149 2.087 0 40 DEAB CN1CCN(c2c(N)cc(Cl)cc2Br)CC1 45886142 NONYPRCMOIEURI-UHFFFAOYSA-N 304.619 2.437 0 40 DEAB COC(=O)c1ccc(C(F)(F)F)nc1N1CC(C)(OC)C1 573982234 LLOAMYZLUCZGDU-UHFFFAOYSA-N 304.268 2.112 0 40 DEAB O=C(C1CCC(NC[C@@H]2CCC=CO2)CC1)N1CCSCC1 225583408 DPTADEPXAAKINJ-GPANFISMSA-N 324.490 2.403 0 40 DEAB CCS(=O)(=O)CC(=O)N1c2ccccc2CC[C@H]1C(C)C 89828351 FYXHSDFRZJKLRX-AWEZNQCLSA-N 309.431 2.425 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 96219416 BLLLVAZJEIVAGU-WMZOPIPTSA-N 310.401 2.322 0 40 DEAB CN(C)[C@@H]1COC2(CCN(Cc3ccc4c(c3)OCO4)CC2)C1 96158616 FYHFNZLCNOFMAO-HNNXBMFYSA-N 318.417 2.100 0 40 DEAB CC(C)N1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1 96076240 XPDUEKQWNZVOSH-MRXNPFEDSA-N 309.479 2.466 0 40 DEAB O=C(Nc1cccnc1)[C@H]1C[C@@]12CCN(C(=O)C1CCCC1)C2 96226927 AWFLECRRCKOQML-CRAIPNDOSA-N 313.401 2.449 0 40 DEAB Cc1cc([C@@H]2CN(CC3(O)CCCCC3)CCO2)nc(C)n1 257233333 GOVQIWLDUBTKDB-INIZCTEOSA-N 305.422 2.162 0 40 DEAB Cc1cncc([C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 257267267 MGOWACZAIYDESO-OAHLLOKOSA-N 303.387 2.311 0 40 DEAB Cc1cccc2nc(C(=O)N3CCO[C@H](c4ccncc4)C3)cn12 257316302 VEZJYDJPXZKVOT-INIZCTEOSA-N 322.368 2.251 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cncc(-c3ccnn3C(C)C)n2)C1 257210545 BVCWLIHIAXOPGJ-AWEZNQCLSA-N 313.405 2.332 0 40 DEAB COCCN1CCC[C@@H](c2cncc(-c3c(C)n[nH]c3C)n2)C1 257232302 GKGQZQUOFIWJFF-CQSZACIVSA-N 315.421 2.309 0 40 DEAB O=C(c1cc2c(nc1O)CCC2)N1CCNC[C@@H]1c1ccccc1 257241659 HYZNEONCLFOGOU-QGZVFWFLSA-N 323.396 2.063 0 40 DEAB O=C(c1cccs1)N1CCOC[C@H]1CCc1cnccn1 257291922 QJGGTMJGSMWFJM-CYBMUJFWSA-N 303.387 2.012 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 257256724 KMPHMIQHPAPOKI-LBPRGKRZSA-N 313.348 2.444 0 40 DEAB Cc1ncsc1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257339105 ZAFQAEIADXTGIY-GFCCVEGCSA-N 318.402 2.413 0 40 DEAB CC(C)CCC(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@H]1C 585096586 UYRKAWXZBRKJMA-CYBMUJFWSA-N 320.437 2.361 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1cnn(-c2ccccc2Cl)c1 69898084 ODVACPMTIVBMCH-JTQLQIEISA-N 321.764 2.207 0 40 DEAB O=C(CCn1cncn1)Nc1ccc(Br)cc1F 34936532 DLSCRUCPRFEXAW-UHFFFAOYSA-N 313.130 2.209 0 40 DEAB CCOC(=O)[C@H]1C[C@@H](C(=O)OCC)c2nc3ccccc3nc21 16968831 PENXEOMZUBNSPZ-PHIMTYICSA-N 314.341 2.327 0 40 DEAB CCOCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50080675 LALSIODNJIEQHP-OKILXGFUSA-N 321.421 2.458 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)NCc1cccc(OC(F)F)c1 51673823 RQCKNRXHIQXTND-NSHDSACASA-N 324.331 2.372 0 40 DEAB CC(C)N(C[C@H]1C[C@@H]1C)C(=O)c1ccc(CS(C)(=O)=O)o1 75147708 CPEPPDPILQFPJU-NWDGAFQWSA-N 313.419 2.331 0 40 DEAB C[C@H](C(=O)N(Cc1ccccc1)CC(F)(F)F)S(C)(=O)=O 95396281 CTIWLDKFYHFQMS-SNVBAGLBSA-N 323.336 2.011 0 40 DEAB Cc1nccn1-c1nc2nonc2nc1Nc1ccc(F)cc1 5530418 GZGLLRGKACCDIS-UHFFFAOYSA-N 311.280 2.390 0 40 DEAB CCCc1cc(CNC(=O)[C@@H]2OCOc3ccccc32)on1 12192545 APSXVCBCYNOWGL-OAHLLOKOSA-N 302.330 2.351 0 40 DEAB O=C1NC(=S)S/C1=C\c1cnn(Cc2ccccc2)c1 14197095 OLQUBZSXZFXJIN-SDQBBNPISA-N 301.396 2.420 0 40 DEAB Cc1ccc(C)c(N(CCCC(=O)NC2CC2)S(C)(=O)=O)c1 14399553 PBONJJAOGZIYCC-UHFFFAOYSA-N 324.446 2.128 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCOC)cc1C(C)(C)C 16780166 PNSORGXSVLAGJV-UHFFFAOYSA-N 315.435 2.308 0 40 DEAB CCOC(=O)c1cn(C(C)C)nc1I 167312356 OKUIOPJULAYJDU-UHFFFAOYSA-N 308.119 2.245 0 40 DEAB O=C(Nc1ccc(C(=O)OC2CCNCC2)cc1)c1ccoc1 151131317 YHHSFPLDZAINDF-UHFFFAOYSA-N 314.341 2.441 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)c1cccs1 3247430 IVKOYEHWFHOICQ-UHFFFAOYSA-N 305.355 2.230 0 40 DEAB CCn1nnc2c(NCCn3ccc4ccccc43)ncnc21 5250524 ZUULFBKYCQQPMP-UHFFFAOYSA-N 307.361 2.308 0 40 DEAB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nccs1 10687248 TZSKXLRFJBIQLG-UHFFFAOYSA-N 324.427 2.477 0 40 DEAB CCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13696575 QSFDIPDHFHNTCZ-UHFFFAOYSA-N 320.370 2.244 0 40 DEAB CC(C)(C)c1ccccc1OCC(=O)N[C@H]1CCCCNC1=O 40092258 FQOVWNCJHSFYQT-AWEZNQCLSA-N 318.417 2.148 0 40 DEAB COc1cc(CNC(=O)c2c(C)nn(C)c2Cl)cc(OC)c1 40498875 DXKFRXBLKSNWPI-UHFFFAOYSA-N 323.780 2.329 0 40 DEAB COc1ccc(C2=CCN(C(=O)c3ccc(=O)[nH]c3)CC2)cc1 40542398 RZGUEEPUVZSLKN-UHFFFAOYSA-N 310.353 2.313 0 40 DEAB Cc1cc(CN2C(=O)N[C@](C)(c3c(F)cccc3F)C2=O)on1 40538734 GTOHUNZCTJRAFU-OAHLLOKOSA-N 321.283 2.228 0 40 DEAB COc1ccc(-n2nnc(C(=O)N3CCC[C@@H](C)C3)c2C)cc1 32644843 FRAFHGKIYAAPAQ-GFCCVEGCSA-N 314.389 2.456 0 40 DEAB O=C(NCCc1ccccc1)NCc1ccc(-n2cccn2)nc1 32794787 IRORERXABQZWSX-UHFFFAOYSA-N 321.384 2.309 0 40 DEAB CCc1oc2ccccc2c1/C=C/C(=O)N1CC[C@@H](C(N)=O)C1 41128732 RVDDTMZXMXVICT-ABZNLYFFSA-N 312.369 2.342 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1OC 41194846 GLJPKVYVZAYXTP-LSDHHAIUSA-N 319.401 2.416 0 40 DEAB COC(=O)N(C)CC(=O)Nc1ncc(Cc2ccccc2)s1 32915801 OWFJFXRCDVLGSH-UHFFFAOYSA-N 319.386 2.371 0 40 DEAB CCn1cc(NS(=O)(=O)c2cc(C(=O)O)c(C)cc2C)cn1 60817284 YWNSMSHBFQYULY-UHFFFAOYSA-N 323.374 2.019 0 40 DEAB C[C@@H]1C[C@@H](N2CCN(C(=O)CCC3CCCCC3)CC2)C(=O)O1 77387402 FSCALDVHAIFVCQ-GDBMZVCRSA-N 322.449 2.195 0 40 DEAB COc1cccc([C@H](O)CNC(=O)c2ccc(Cl)nc2)c1 78929811 BQQLDANDNXEFAW-CYBMUJFWSA-N 306.749 2.207 0 40 DEAB Cc1cc(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c(C)[nH]1 23391096 OBSKIMQRDSVSJI-BMLIUANNSA-N 317.389 2.315 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Cc1csc(-c2ccco2)n1 42536116 MHXHBXUGKYSMPP-NSHDSACASA-N 316.386 2.347 0 40 DEAB O=S(=O)(c1cccs1)N1C[C@H]2CC[C@H]1[C@H]2OCC1CC1 107265580 LIDAPPRCMCLDAC-DYEKYZERSA-N 313.444 2.326 0 40 DEAB O=c1ccc2cc(S(=O)(=O)NC3CCCCC3)ccc2o1 12420618 CWHIGHLUMBOPOD-UHFFFAOYSA-N 307.371 2.404 0 40 DEAB O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1cccc2ccccc12 106517066 HDAITGTWJXXDKX-HOTGVXAUSA-N 310.397 2.433 0 40 DEAB COc1cccc2cc([C@H](C)NC(=O)[C@H](C)NC(C)=O)oc12 25139410 ANCULZCADUTDTP-UWVGGRQHSA-N 304.346 2.143 0 40 DEAB COc1ccccc1CNC(=O)C(=O)NCCC1=CCCCC1 9915151 UGJNZEQWZHUDEP-UHFFFAOYSA-N 316.401 2.318 0 40 DEAB C[C@@H](CCc1ccccc1)N1CCC[C@H](CNS(C)(=O)=O)C1 55902737 SDUDYHSDRJIMAP-DOTOQJQBSA-N 324.490 2.269 0 40 DEAB Cn1c(=O)c2ccccc2n2c(COc3ccccc3)nnc12 12562157 CRKIVEAUQWMOEK-UHFFFAOYSA-N 306.325 2.160 0 40 DEAB COc1cc(CNC(=O)c2cnn(-c3ccccc3)c2)ccn1 12522551 AJUMVMASQIRYPW-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB Cn1nccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 58046421 YAHZRRVPMJOWEY-LBPRGKRZSA-N 309.373 2.316 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)c1cnsn1 47832842 LACIYYQFQWKVTJ-UHFFFAOYSA-N 304.375 2.185 0 40 DEAB Cn1nnnc1Sc1ncnc2sc3c(c12)CCCC3 3256612 XTIITRPXCZPTDT-UHFFFAOYSA-N 304.404 2.245 0 40 DEAB COC[C@H](C)NC(=O)c1cnc(SC)n1-c1ccccc1 24579418 BWCHZHZEZXPRHC-NSHDSACASA-N 305.403 2.359 0 40 DEAB CCNC(=O)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 44910578 DZJMKGQTXUZONN-LLVKDONJSA-N 308.426 2.276 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2cccn2)on1 44969751 DSCJJTOIHDEAEY-OLZOCXBDSA-N 303.366 2.115 0 40 DEAB COCc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)c1 44977172 XVIQTNPGZLCTFG-LLVKDONJSA-N 302.330 2.183 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c1C 36714160 IILLXUDPFOZJMF-UHFFFAOYSA-N 315.255 2.223 0 40 DEAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1CCN(C)CC1 22030773 HDSXDWIYKQEUAP-HOTGVXAUSA-N 306.450 2.187 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N[C@H](C)C(C)C)c1C 3531975 HBIVNKSRCDUOKF-SNVBAGLBSA-N 308.378 2.152 0 40 DEAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)N(C)c1ccccc1 3564290 PFXQNARHKIRLOB-GFCCVEGCSA-N 302.330 2.500 0 40 DEAB NC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3)s2)CCO1 92735328 FLFDCLHGYMVXHE-AWEZNQCLSA-N 302.399 2.101 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(F)c(Cl)c1 4392729 VKWXIUURNVLNJA-QMMMGPOBSA-N 305.758 2.242 0 40 DEAB CCn1cc(C2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cn1 97203640 BDJPSJRSVGYWHJ-QGZVFWFLSA-N 312.417 2.309 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1cnc(-c2ccccc2)nc1 65513413 NCFPTRAFANHEHZ-OAHLLOKOSA-N 319.368 2.085 0 40 DEAB Cc1nnc(-c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)C3(C)C)cc2)o1 71287346 IVUBPMLADDIWHH-NWDGAFQWSA-N 315.329 2.340 0 40 DEAB COC[C@@H]1CN(Cc2ccc(OC)c(OC)c2Cl)CCO1 93529587 CPHGEFCCDHBMEN-LBPRGKRZSA-N 315.797 2.204 0 40 DEAB CCOC(=O)c1noc(-c2cccc(F)c2-n2ccnc2)n1 68577224 WSVPLGXGHHVNDK-UHFFFAOYSA-N 302.265 2.238 0 40 DEAB in-vitro CCc1ccc(CNC(=O)C(=O)NCc2ccc(C)cc2)cc1 111501311 PFDVCCAUULCYHW-UHFFFAOYSA-N 310.397 2.490 0 40 DEAB O=C([C@@H](Sc1ncccn1)c1ccccc1)N1CCOCC1 8315492 OLQIJYYLLJLOGH-AWEZNQCLSA-N 315.398 2.169 0 40 DEAB C[C@@H](NC(=O)CCOc1ccccc1)C(=O)NC1CCCC1 69493811 AJNLGQUUYMKIBF-CYBMUJFWSA-N 304.390 2.019 0 40 DEAB CCn1c([C@H]2CCCN(C(=O)[C@@H](C)SC)C2)n[nH]c1=S 69485283 HYSSMGOFWLQMJC-ZJUUUORDSA-N 314.480 2.418 0 40 DEAB CNC(=O)[C@H](Cc1ccccc1)Sc1nncn1C(C)C 97085429 JBBXYRPSZRXNFM-ZDUSSCGKSA-N 304.419 2.308 0 40 DEAB CCc1nc2n(n1)C[C@H](NCc1c[nH]nc1-c1ccccc1)CC2 69621267 WXMYKTWTJLCZSZ-OAHLLOKOSA-N 322.416 2.335 0 40 DEAB c1ccc(C2(CNCc3cnc(N4CCOCC4)nc3)CC2)cc1 69675183 UCZCAJCBFFJYMU-UHFFFAOYSA-N 324.428 2.135 0 40 DEAB CSC[C@@H](C)NC(=O)NC[C@@H](O)c1c(F)cccc1F 72294058 RAVQEBROFGPMFH-LDYMZIIASA-N 304.362 2.049 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)COCCc2ccccc2)no1 72299028 QMCKCCVYAJXRMD-OAHLLOKOSA-N 315.373 2.301 0 40 DEAB CCCCN(CCO)Cc1nc(-c2cccc(OC)c2)no1 69917420 AGAIWGNYFZDJIW-UHFFFAOYSA-N 305.378 2.340 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CCCN(c2cccnn2)CC1 69947998 ZXLWQAUTEGEABB-UHFFFAOYSA-N 321.384 2.310 0 40 DEAB Cc1cccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)c1 84211057 FDYOZDJRGYCTGC-MRXNPFEDSA-N 303.406 2.370 0 40 DEAB CC(=O)N1CCCN([C@H]2CN(CC3CCCC3)C[C@@H]2C)CC1 84714421 AYSRTERLRJGALE-YJBOKZPZSA-N 307.482 2.051 0 40 DEAB Cc1cnc(C(=O)Nc2ccc(OC[C@@H]3CCOC3)cc2)cn1 71914377 KHCAQVKWFXMRLL-CYBMUJFWSA-N 313.357 2.453 0 40 DEAB COC[C@@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)N(C)C 71910714 ZQNVRALSKUDEMQ-ZDUSSCGKSA-N 318.339 2.413 0 40 DEAB CSc1nc(C)c(CCC(=O)N2C[C@H](C)O[C@H](C)C2)c(C)n1 95385701 BLPLNBAYNQZXBO-PHIMTYICSA-N 323.462 2.384 0 40 DEAB C[C@H](NC[C@H](C)N1CCOC[C@H]1C)c1ccc([S@](C)=O)cc1 95422353 RQWVXQOUPHLFNW-PWQATKAXSA-N 324.490 2.184 0 40 DEAB Cn1cc(C(=O)C[C@H]2CCCN2c2nc(C3CC3)ns2)cn1 95994787 OCZKUGSBLIVKNC-GFCCVEGCSA-N 317.418 2.391 0 40 DEAB CC(C)Oc1ccc([C@@H](O)CNC(=O)CN2CCC[C@H]2C)cc1 89929867 ZVLHZHHWEIBEHO-PBHICJAKSA-N 320.433 2.108 0 40 DEAB CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC(C)C 408737015 KSSIZHBHSZVLRX-OAHLLOKOSA-N 317.389 2.207 0 40 DEAB C[C@H](NC(=O)C(=O)Nc1ccon1)C(C)(C)c1ccccc1 126768648 DQTZAQBUBNXIRP-NSHDSACASA-N 301.346 2.096 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2cccc(F)c2)cc1 218571314 NLISCQDDKOTVIM-JYJNAYRXSA-N 305.374 2.401 0 40 DEAB Cc1nccn1-c1ccc(NS(=O)(=O)c2cccs2)cn1 78556742 FCASJBSAVNWTHF-UHFFFAOYSA-N 320.399 2.438 0 40 DEAB Cc1ccc2nc(NC(=O)C[C@H]3SC(=O)NC3=O)sc2c1 32597880 HSYIAMKPQBHYMV-SECBINFHSA-N 321.383 2.285 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)nc(C2CCN(C)CC2)n1 72369293 YHMSGJXYMHFOEL-CYBMUJFWSA-N 316.449 2.466 0 40 DEAB C[C@H](NC(=O)NC[C@H](O)C1CC1)c1cccc(-n2cccn2)c1 74939661 YOPLYNKBEIZCRH-LRDDRELGSA-N 314.389 2.003 0 40 DEAB O=C(c1ccncc1Cl)N1CCCN(C2CCOCC2)CC1 73101691 URQRNMLXBHANNB-UHFFFAOYSA-N 323.824 2.062 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)C(=O)Nc1nccs1 42646790 KYKYBNZGKTVLFO-UHFFFAOYSA-N 319.386 2.185 0 40 DEAB CCCN1CCCC[C@H]1C(=O)NC[C@@](C)(O)c1ccsc1 195533970 NLFRIQFHVKXUMC-GOEBONIOSA-N 310.463 2.336 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCCc1ccccc1)O2 40778724 BTWFPZQOFYMZHU-LJQANCHMSA-N 324.380 2.444 0 40 DEAB C[C@H](c1ccccn1)N1CCC([C@H](O)c2nccn2C)CC1 89924876 BOAJOSWUFWJHLX-CJNGLKHVSA-N 300.406 2.322 0 40 DEAB C[C@H](NC(=O)N1CCSCC[C@@H]1C)c1nnc2ccccn12 190631290 VAMUOXNZDKEPPO-RYUDHWBXSA-N 319.434 2.327 0 40 DEAB Cc1cc(Cl)ccc1C(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C 194027816 HXIRNOVNBUFSNG-QWHCGFSZSA-N 310.825 2.176 0 40 DEAB COC[C@]1(C(=O)O)CCN(Cc2ncc(-c3cccs3)o2)C1 572773954 NFNRKRIYAVBRIA-HNNXBMFYSA-N 322.386 2.326 0 40 DEAB CCN(CC)C(=O)N1CC[C@@H](Oc2cccnc2N(C)C)C1 225584147 YXAXXLRAFBOJSY-CYBMUJFWSA-N 306.410 2.063 0 40 DEAB CN(C)C[C@H]1CN(Cc2ccc(F)cc2)Cc2nccn2C1 96059177 VOTKMOHPQUYEMY-HNNXBMFYSA-N 302.397 2.216 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN2CCC[C@@H]2C1 96474905 IJCLQIGYTURSIS-GXTWGEPZSA-N 308.809 2.414 0 40 DEAB O=C(N1CCCC1)N1CC[C@@H]2[C@H]1CCC(=O)N2c1ccccc1 96110759 JIDRFXUCNBZQHU-HZPDHXFCSA-N 313.401 2.472 0 40 DEAB CCN(C(=O)CCc1ccc2[nH]ccc2c1)[C@H]1CC(O)=NC1=O 96492851 KGLVWUDAGPYSEJ-AWEZNQCLSA-N 313.357 2.204 0 40 DEAB CCn1cc(C(=O)NC[C@](C)(O)c2ccco2)c(C(C)C)n1 96459328 UDTLCNWMMAFLIS-INIZCTEOSA-N 305.378 2.257 0 40 DEAB COc1ccc2cc([C@@H](C)C(=O)NCCOCCO)ccc2c1 96319050 XDYAXSYDZUYJIS-CYBMUJFWSA-N 317.385 2.077 0 40 DEAB O=C1C[C@@]2(CCN(Cc3cccnc3)C2)CN1c1cccnc1 96239108 PDRCLAAZDHWYTL-GOSISDBHSA-N 308.385 2.106 0 40 DEAB COc1c(C(=O)NC2CCCC2)nnn1Cc1ccc(C)cc1 96184030 KFYSBLWGPJLWME-UHFFFAOYSA-N 314.389 2.316 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(Cc4cnn(C)c4)C[C@H]3C2)cc1 96161721 QJSSLRWQKSCUJZ-KDURUIRLSA-N 310.445 2.292 0 40 DEAB CCn1cc2c(n1)CN(Cc1c(C)noc1C)C[C@H]2COC 96045177 CDUMGSYXGIUIFT-ZDUSSCGKSA-N 304.394 2.254 0 40 DEAB COc1ccc(CN2CCN3C[C@@H](OCC4CC4)C[C@H]3C2)cc1 247874312 GASPNUSGLRSTIH-HKUYNNGSSA-N 316.445 2.380 0 40 DEAB Cc1ccn2ncc(C(=O)O[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)c2n1 247858949 YZZQTQPLLZBLBN-IACUBPJLSA-N 315.373 2.398 0 40 DEAB CN(C)c1nccnc1[C@H]1CN(Cc2ccsc2)CCO1 257299542 RQLQFVYEVDRWMW-CYBMUJFWSA-N 304.419 2.178 0 40 DEAB Cc1cc([C@H]2CN(C(=O)c3cccs3)CCO2)nc(C)n1 257222196 DSINPNCYMBGOPX-CYBMUJFWSA-N 303.387 2.369 0 40 DEAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cccc(Cl)c1 257319315 VRVGLDSCKBWJOC-INIZCTEOSA-N 316.792 2.107 0 40 DEAB COc1ccc(C)cc1S(=O)(=O)Nc1nccc(C2CC2)n1 530157975 YPSFWOAFGGMKKA-UHFFFAOYSA-N 319.386 2.472 0 40 DEAB Cc1cccc(C[C@H]2CCN(C(=O)c3cccn3C)C[C@@H]2O)c1 585278958 JNOLBKHSBGABDI-AEFFLSMTSA-N 312.413 2.399 0 40 DEAB NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 48088454 HTPZZPMWNBHOGF-MRVPVSSYSA-N 301.173 2.331 0 40 DEAB CCCc1c(C(=O)N[C@H](C)CCN(C)C)[nH]c(C)c1C(=O)OC 72281874 NBYSJCHSICHIBP-LLVKDONJSA-N 323.437 2.132 0 40 DEAB CCc1noc(C)c1C(=O)N[C@@H](CC(=O)O)c1ccccc1 72279416 OZDPZWQWTCYKKD-ZDUSSCGKSA-N 302.330 2.491 0 40 DEAB COc1ncc(C)cc1NC(=O)NO[C@H](CO)C1CCCC1 1562466346 KSFMZAGJTUTNFQ-CYBMUJFWSA-N 309.366 2.003 0 40 DEAB CCc1cnc(OC2CCN(C(=O)c3cscn3)CC2)nc1 1776008356 FBIHHRABROMBNS-UHFFFAOYSA-N 318.402 2.179 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@H](O)c2ccco2)cn1 89694380 ZAIOZANRQJBDMJ-LBPRGKRZSA-N 324.402 2.392 0 40 DEAB C[C@](O)(CNS(C)(=O)=O)C(c1ccccc1)c1ccccc1 95461893 XXOZXUCZLWHUKT-KRWDZBQOSA-N 319.426 2.119 0 40 DEAB Cc1cc(-c2cnc(C)nc2CCNC(=O)c2ccccn2)on1 12337722 JEEVUCRYBDCWBY-UHFFFAOYSA-N 323.356 2.116 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2O1 13434644 TWPAUDBKSOGDPY-AWEZNQCLSA-N 301.273 2.318 0 40 DEAB NC(=O)CCSc1nnc(NCCc2cccs2)s1 14802359 CNYVVQGGDMFFSV-UHFFFAOYSA-N 314.461 2.222 0 40 DEAB COc1ccc2[nH]c(=O)c(CNc3c(C)cc[nH]c3=O)cc2c1 19238227 JSQOMDITZHHLOV-UHFFFAOYSA-N 311.341 2.146 0 40 DEAB CC(C)(C)C(=O)N1CCC(CN2CCCC[C@H]2CC(N)=O)CC1 159236924 WUBLMAVMHWZYSW-HNNXBMFYSA-N 323.481 2.001 0 40 DEAB CC(C)N(C(=O)CSc1nc2ccccc2[n+](=O)[nH]1)C(C)C 575628195 UBDZCVSFNYKJGZ-UHFFFAOYSA-N 321.426 2.215 0 40 DEAB O=C(NCc1nnc2n1C[C@H](C(F)(F)F)CC2)C1CCCC1 370687833 CCHBADOSRIMCFL-SNVBAGLBSA-N 316.327 2.209 0 40 DEAB O=C(CSc1nnc(C2CC2)n1C1CC1)Nc1ccon1 10772762 PIMLXFMNVGYPET-UHFFFAOYSA-N 305.363 2.209 0 40 DEAB FC(F)(F)CCN1CCN(c2ccc(C3CC3)nn2)CC1 1888834621 ZKRXFDFJRKFWTO-UHFFFAOYSA-N 300.328 2.428 0 40 DEAB CN(C(=O)OC(C)(C)C)C1CN(c2cc3c(nn2)CCC3)C1 1888890705 HRAIPQLJAOOAAO-UHFFFAOYSA-N 304.394 2.021 0 40 DEAB c1ccc(-c2nc(NCCc3cccnc3)c3nn[nH]c3n2)cc1 1857788564 LKAJCZQHRBYLJQ-UHFFFAOYSA-N 317.356 2.465 0 40 DEAB COCCC(=O)N1CCC[C@@](O)(COc2ccc(C)c(C)c2)C1 2037913155 WIUGTBQJRUCPAL-SFHVURJKSA-N 321.417 2.072 0 40 DEAB C=CC(=O)Nc1ccc(O)c(C(=O)N(C)Cc2cscn2)c1 1583267872 KRECZHLRZSXQAI-UHFFFAOYSA-N 317.370 2.245 0 40 DEAB CC(=O)c1cccc(NC(=O)c2cc3cccnc3n(C)c2=O)c1 5303645 JNELPOWBERSXRN-UHFFFAOYSA-N 321.336 2.388 0 40 DEAB Cc1cc(CCC(=O)N[C@H](Cn2ccnn2)C(C)C)ccc1F 575617288 VLCQTTJMMNTISI-MRXNPFEDSA-N 318.396 2.499 0 40 DEAB O=c1c2ccccc2nnn1Cc1nc(-c2ccc(F)cc2)no1 8222344 QZQRZJRCXUBGQY-UHFFFAOYSA-N 323.287 2.029 0 40 DEAB COC(=O)c1ccccc1C(=O)N1CCC[C@@H]1c1nc(C)no1 90679650 JBGJNQSTCSDOOZ-CYBMUJFWSA-N 315.329 2.142 0 40 DEAB Cc1cc(C)n2nc(CC(=O)N[C@H](C)c3ccccc3)nc2n1 31550579 UZGVKLJZPDEBRT-CYBMUJFWSA-N 309.373 2.161 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1noc(C(C)(C)C)n1)C2=O 40538685 WMCUHQYZTZHUPN-HWPZZCPQSA-N 320.393 2.368 0 40 DEAB COc1ccc(-c2noc(CN3C[C@@H](C)OC[C@H]3C)n2)cc1 40501465 OIZGXDGIYAPFLM-VXGBXAGGSA-N 303.362 2.354 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)c1cc2cc(Cl)ccc2o1 40521702 KLNIXKVICWIQGW-NSHDSACASA-N 306.749 2.485 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 40513426 VBQJJJDRKQFLKM-NSHDSACASA-N 304.781 2.488 0 40 DEAB CC(C)Cc1ccc([C@H](O)CN2C(=O)NC(C)(C)C2=O)cc1 51259137 RYYVOXQJYVBHSB-CQSZACIVSA-N 304.390 2.249 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ccc(OC)cc1F 101178318 JRRFTJIAXRZNKG-FCIDVOKBSA-N 321.348 2.152 0 40 DEAB Cc1cccc(-n2c(C)c(C)c3c(=N)n(CCCO)cnc32)n1 101482582 UCBCGZHQSSKRJA-UHFFFAOYSA-N 311.389 2.009 0 40 DEAB Cc1ccc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c(C)c1 379588 BDYDGLCGNXCBKS-UHFFFAOYSA-N 324.446 2.128 0 40 DEAB CN(C(=O)COc1ccc(Cl)cc1C(N)=O)C1=CCCC1 32906986 BTCBJGFXIGBKDF-UHFFFAOYSA-N 308.765 2.344 0 40 DEAB CC(=O)N1CCC(C(=O)N[C@@H](C)C2CC2)(c2ccccc2)CC1 32993627 XOHCUNMNLXOAAK-AWEZNQCLSA-N 314.429 2.481 0 40 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TVXKVDWBCBESBI-UHFFFAOYSA-N 320.389 2.147 0 40 DEAB Cn1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc21 55149256 PPGGQFXXMDCTCK-MRXNPFEDSA-N 307.353 2.135 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1oc2ccc(OC)cc2c1C 9722908 ITTMTWYYMZXVED-LLVKDONJSA-N 318.373 2.394 0 40 DEAB c1ccc(-c2nc(CNc3ccc4nnnn4n3)cs2)cc1 24990210 JKEVHTJAHSWGNF-UHFFFAOYSA-N 309.358 2.255 0 40 DEAB Cn1ccs/c1=N\C(=O)CC[C@@H]1Cc2ccccc2NC1=O 102830084 OLTCHVIVHQBSNP-MHMQGTJDSA-N 315.398 2.105 0 40 DEAB Cc1nn(C)c(C)c1CNC[C@@H]1CCN(CC(F)(F)F)C1 37648173 FGWYHAQSQBKUGO-LBPRGKRZSA-N 304.360 2.011 0 40 DEAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cnn(C)c1 25275738 QCUIYYZDPFTWTB-UHFFFAOYSA-N 315.333 2.116 0 40 DEAB NC(=O)[C@H](c1ccc(F)cc1)N1CCCC[C@H]1Cn1cccn1 69738449 IRXOHHDIYYPKFV-HOTGVXAUSA-N 316.380 2.103 0 40 DEAB COc1cccc(Oc2nc3ccccc3n3c(=O)[nH]nc23)c1 57352290 CVWNRAXOINLYAU-UHFFFAOYSA-N 308.297 2.372 0 40 DEAB COc1cc(CNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1C(=O)O 108130074 FMYVNRGZPLXYMP-VHRBIJSZSA-N 303.358 2.446 0 40 DEAB Cc1ccc(C(=O)N2CCCN(Cc3cscn3)CC2)o1 69740497 DFUIVVVJRCVWSO-UHFFFAOYSA-N 305.403 2.393 0 40 DEAB COc1ccc(NC(C)=O)cc1N[C@H](C)C(=O)N1CCCCC1 12543659 XQZAPZVVQXZTMU-GFCCVEGCSA-N 319.405 2.467 0 40 DEAB O=c1n(CCN2CCC[C@@H]2c2ccccc2)nc2ccccn12 26913218 GQQIDSNXGQZKPQ-MRXNPFEDSA-N 308.385 2.333 0 40 DEAB O=C(O)c1cccc(CNC(=O)c2cc(Br)c[nH]2)c1 37716517 XGYQDFKDSNWHPN-UHFFFAOYSA-N 323.146 2.405 0 40 DEAB Cc1cccc(-c2nnc(SCCN3CCOCC3)n2C)c1 26099401 APIJCOJPGKICOA-UHFFFAOYSA-N 318.446 2.215 0 40 DEAB Cc1csc(CNC(=O)NCc2ccc3c(c2)OCCO3)n1 44895276 MVNLLGKABYZHPG-UHFFFAOYSA-N 319.386 2.222 0 40 DEAB CC[C@@H]1CCCCN1C(=O)CN1CCN(c2nccs2)CC1 44894404 HLFNSPBGCNJRLU-CQSZACIVSA-N 322.478 2.056 0 40 DEAB Cc1csc(N(C)C(=O)Cc2ccc3c(c2)OCCO3)n1 44966182 FGSIWUVKTLSPSJ-UHFFFAOYSA-N 304.371 2.428 0 40 DEAB C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccncc1 44909965 YPMGKGBVJBITFH-LBPRGKRZSA-N 317.418 2.131 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)N(Cc2ccco2)C2CC2)c1 48234784 VDFAMIYDJLPHTP-UHFFFAOYSA-N 321.354 2.331 0 40 DEAB Cc1noc(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCCO3)cc2)n1 27894190 CBYUMZSPAMJPHS-IINYFYTJSA-N 301.346 2.342 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(NC(=O)c3ccco3)cc2)CCO1 11497950 MGIJAINALAHKJX-GFCCVEGCSA-N 314.341 2.393 0 40 DEAB O=C(Nc1ccc(-n2cccn2)nc1)c1cnc2ccccc2n1 29198187 ANHRRLQRHLLZIZ-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB COCCOCC(=O)NCC1(c2ccc(F)cc2)CCCC1 48348149 ZRWCVCXTWFNNQO-UHFFFAOYSA-N 309.381 2.417 0 40 DEAB COc1cccc(OC)c1C(=O)NCCC1CCN(C)CC1 171268963 CEGXJWFICFMJSG-UHFFFAOYSA-N 306.406 2.166 0 40 DEAB Cc1cc(NC(=O)CN(C)CCO[C@@H]2CCCC[C@@H]2C)no1 46057191 ZYETUVWRBVELFR-GXTWGEPZSA-N 309.410 2.449 0 40 DEAB CC[C@@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3467594 KEEDQINHUKLLRH-SSDOTTSWSA-N 310.703 2.435 0 40 DEAB CCCN1CCCN([C@@H](C)C(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 69980569 ZLVJYISCHKXPCB-BBWFWOEESA-N 309.498 2.297 0 40 DEAB Nc1c(C(=O)N2CCCCC2)nnn1-c1cccc(Cl)c1 8716963 ZLUINYJXSKOABZ-UHFFFAOYSA-N 305.769 2.129 0 40 DEAB CC[C@@H]1CCCCN1C(=O)N[C@H]1CCCc2c1cnn2CCO 65449870 JINBGRDPFGWBAZ-HIFRSBDPSA-N 320.437 2.227 0 40 DEAB Cc1ccc([C@]2(C)NC(=O)N(CC(=O)c3ccco3)C2=O)cc1 14163728 AKMCMUFTLOUSFX-KRWDZBQOSA-N 312.325 2.238 0 40 DEAB O=C(Nc1ccc2ccccc2c1)N[C@@H]1CCS(=O)(=O)C1 4559442 ABRPLZLGWGPXKQ-CQSZACIVSA-N 304.371 2.148 0 40 DEAB COc1cccc(CN2CCNC(=O)C2(C)C)c1OC(F)F 93084534 DOXZBFWLRBXSMT-UHFFFAOYSA-N 314.332 2.007 0 40 DEAB O=C(N[C@H]1CCc2ccccc2C1)N1CC[C@@H](N2CCCC2)C1 66193189 XCCUYLVMAPLPBX-ZWKOTPCHSA-N 313.445 2.424 0 40 DEAB CCOC(=O)c1cnc2c(OC)cccc2c1N[C@@H](C)CO 4745248 FCVYPTALRWXUGP-JTQLQIEISA-N 304.346 2.213 0 40 DEAB O=C(COC(=O)c1cc(F)cc(F)c1)NCc1ccccc1 7032403 CBXYFAVIZHVDPC-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB CCCS(=O)(=O)N1CCC(Nc2ccccc2F)CC1 96428459 PONXFLBZGBFPOJ-UHFFFAOYSA-N 300.399 2.442 0 40 DEAB Cn1cnnc1-c1ccccc1NC(=O)c1ccc2c(c1)OCO2 68727205 YFEZOIJGHRGUOP-UHFFFAOYSA-N 322.324 2.463 0 40 DEAB CCO[C@@H](CC)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 69420302 SFBPVXFVIXASHP-ZBFHGGJFSA-N 320.433 2.453 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 71888933 SXXSYNYFSUNLAS-GJZGRUSLSA-N 323.458 2.175 0 40 DEAB O=C(Cn1cccn1)Nc1ccnc(Sc2ccccn2)c1 71853301 ZZOZAFJTNIVLSB-UHFFFAOYSA-N 311.370 2.463 0 40 DEAB CCCn1nnnc1CSc1nccn1Cc1ccccn1 71903298 FRHBYKONHYXRHI-UHFFFAOYSA-N 315.406 2.015 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3c(C)n[nH]c3C)CC2)cc1 97235435 HDZNBJPDIMOWLN-UHFFFAOYSA-N 312.417 2.293 0 40 DEAB CC(=O)N1CCN(C(=O)CSC[C@H](C)c2ccccc2)CC1 97046909 NQYSRSDVHBPKRQ-AWEZNQCLSA-N 320.458 2.214 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@H]1CCC(=O)N1Cc1ccco1 72239655 DJMYOHKAEVRZHW-OAHLLOKOSA-N 316.332 2.226 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@@H]2COCC[C@@H]21 95425923 JJIDYAIMSOUGBV-GXTWGEPZSA-N 319.386 2.016 0 40 DEAB Cn1cc(C(=O)CSc2nnc(N3CCCCC3)s2)cn1 95400407 XFAOYLFAERLIAN-UHFFFAOYSA-N 323.447 2.237 0 40 DEAB Cc1occc1CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 95426131 CPIAZONRZIZBNC-HIFRSBDPSA-N 310.419 2.442 0 40 DEAB NC(=O)C1(NC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)CCCC1 98015810 NMKIIIFXWPSEBZ-MAUKXSAKSA-N 312.413 2.195 0 40 DEAB CN(C)CCN(C)C(=O)N[C@H](c1ccccc1)C1CCOCC1 95963219 FYBYKJQQYLWPGM-QGZVFWFLSA-N 319.449 2.357 0 40 DEAB Cc1noc(C)c1N(C)C(=O)NCc1ccc2c(c1)OCO2 75107984 ZIKAHHWTNOSHBG-UHFFFAOYSA-N 303.318 2.366 0 40 DEAB CCC(=O)N1CC[C@H](NC(=O)NC[C@H](C)c2ccsc2)C1 89941591 AVDKXRRDBKCCTE-AAEUAGOBSA-N 309.435 2.162 0 40 DEAB CO[C@]1(C)C[C@@H](NC(=O)c2cnc(C3CCNCC3)o2)C1(C)C 1548548581 WWOWSOYCQVSHOH-CXAGYDPISA-N 321.421 2.075 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@@H]2[C@@H](C1=O)c1cc(O)ccc1N2C 39960642 LXUVVXYOZOBVHJ-VUCTXSBTSA-N 311.385 2.478 0 40 DEAB C[C@](O)(CN1CCC(Oc2ccccc2Cl)CC1)C(=O)O 518547213 YXYVEGDHUMPXML-HNNXBMFYSA-N 313.781 2.019 0 40 DEAB CC(C)OCCCNC(=O)c1ccc(Cn2ccnc2)cc1 38858676 ZFYCLEGKIDUDDR-UHFFFAOYSA-N 301.390 2.476 0 40 DEAB Cc1cc(C(=O)N(C)Cc2ncc[nH]2)c(C)n1[C@H]1CCOC1 528474889 IUYJSFHRMHTVEG-ZDUSSCGKSA-N 302.378 2.062 0 40 DEAB Cc1nn(C[C@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1Cl 32648259 YJYHBWCGIWENIS-HBNTYKKESA-N 313.829 2.425 0 40 DEAB CCN(CC)C(=O)C(=O)NCc1ccc(Cl)cc1Cl 32118553 AJLPGDHBFSHTJN-UHFFFAOYSA-N 303.189 2.478 0 40 DEAB O=C(NCc1cccs1)Nc1ccc2c(c1)C(=O)NCC2 70638326 KEPNSDGQABVNSL-UHFFFAOYSA-N 301.371 2.356 0 40 DEAB COc1ccc([C@H]2[C@@H](N)C(=O)N2c2cccc(C)c2)cc1OC 72227409 KELIFKBAEGSSCF-SJORKVTESA-N 312.369 2.427 0 40 DEAB CCC(=O)N1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1 72362218 PQMQUWAWQAKEAC-GFCCVEGCSA-N 312.377 2.126 0 40 DEAB COc1ccccc1[C@H](C)CC(=O)NCc1cccc(CO)n1 565372636 MHKALPBVANJRPN-CYBMUJFWSA-N 314.385 2.393 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1cc(=O)n2ccccc2n1 10973745 PKIWAFNOECJMQB-UHFFFAOYSA-N 323.352 2.102 0 40 DEAB O=C(C=C1CCC1)NCc1ccccc1CN1CCC[C@@H]1CO 185132077 WSLYXUJKDGKAKU-GOSISDBHSA-N 314.429 2.370 0 40 DEAB Fc1ccccc1Cn1cc(Nc2ncnc3[nH]ncc23)cn1 46087319 GFEKYGMKFDKNAM-UHFFFAOYSA-N 309.308 2.480 0 40 DEAB COCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C(C)C 222756939 QQBGEYDRRPAOFD-OAHLLOKOSA-N 320.433 2.212 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)ccc1C 225352519 YRJAEXAADSZIKC-YWPYICTPSA-N 323.414 2.249 0 40 DEAB CCn1ncc2c1CN(Cc1c(C)noc1C)C[C@H]2COC 96044564 GLVFDBAMRPMAGB-ZDUSSCGKSA-N 304.394 2.254 0 40 DEAB CC[C@H]([C@@H](N)c1ccc(Br)cc1)S(C)(=O)=O 96524862 CMAONDQEWJWNJQ-MNOVXSKESA-N 306.225 2.272 0 40 DEAB CC(C)Cn1nnc2ccc(NC(=O)c3cccnc3)cc2c1=O 96223117 AWCNWEHAIOMCJR-UHFFFAOYSA-N 323.356 2.095 0 40 DEAB CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1ccsc1 96082429 RZOATZVKNZAFGE-GVDBMIGSSA-N 324.490 2.306 0 40 DEAB Cc1nc(N2CCCC2)nc2c1CCN(C(=O)C1CCC1)CC2 96254710 MYBMBKOOOMAARQ-UHFFFAOYSA-N 314.433 2.113 0 40 DEAB CN(C)c1ccnc(NCCc2cc(F)cc3c2OCOC3)n1 91430441 XOLXCGNYXNSGCT-UHFFFAOYSA-N 318.352 2.203 0 40 DEAB COc1cc(OC)c([C@H](O)CCC2OCCCO2)cc1OC 95728597 SUKFNMSOXZCPFI-GFCCVEGCSA-N 312.362 2.289 0 40 DEAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2ccsc2)C1)N1CCCC1 96057603 DOBJOPKMQYKKPZ-ARFHVFGLSA-N 320.458 2.350 0 40 DEAB COc1ccc(C(=O)N2CCC[C@]3(C[C@H](OC)CO3)C2)cc1F 96107439 RYBLTWZSFQCKMO-GUYCJALGSA-N 323.364 2.244 0 40 DEAB CCn1cc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)c(C)n1 257308334 TWJBMKXDAMRBQY-AWEZNQCLSA-N 315.421 2.338 0 40 DEAB COc1ccccc1C(=O)N[C@H](Cn1nccn1)c1ccccc1 253407171 VQSHQKAFDIFAMX-MRXNPFEDSA-N 322.368 2.458 0 40 DEAB Cc1cc(CC[C@@H]2CN(Cc3csc(C)n3)CCO2)ncn1 257342868 ZQKUZGTUYKGGDT-MRXNPFEDSA-N 318.446 2.384 0 40 DEAB CN(C)c1cc([C@@H]2CCCN(C(=O)Cc3ccccn3)C2)ccn1 257324592 WPJALBFNFALGHI-MRXNPFEDSA-N 324.428 2.491 0 40 DEAB CCSc1ccccc1C(=O)N1CC[C@@H](N2CCOC2=O)C1 618257435 WFZOYRQIQKJCOC-GFCCVEGCSA-N 320.414 2.465 0 40 DEAB CC(C)N1CCN([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585288474 BGTZPMMVKRHHFF-IPMKNSEASA-N 318.461 2.373 0 40 DEAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H]1Cn1cccn1 69979345 NLRVTTSXEYAIOQ-CQSZACIVSA-N 323.400 2.383 0 40 DEAB O=C(CNC(=O)c1ccoc1)Nc1cc(C2CCCC2)[nH]n1 72294092 JMMIAPVUTGFOIC-UHFFFAOYSA-N 302.334 2.029 0 40 DEAB CC(C)(C)c1ccc(N2CCN(c3ncncc3F)CC2)nn1 1776008595 IWNHGBDKCXFDTQ-UHFFFAOYSA-N 316.384 2.030 0 40 DEAB Cc1nc(C)c(CCNC(=O)N[C@H](CO)c2ccccc2)s1 95995033 HMGJMPWANNCFHO-CQSZACIVSA-N 319.430 2.335 0 40 DEAB COC(=O)[C@@H]1CN([C@@H](C)c2nc3ccccc3o2)C[C@@H](C)O1 97047148 BPCFAQNFNWYDEM-SUNKGSAMSA-N 304.346 2.151 0 40 DEAB CC1CCN(C(=S)Nc2ccc3nc[nH]c(=O)c3c2)CC1 5485599 VFCLELKUSUWVHZ-UHFFFAOYSA-N 302.403 2.352 0 40 DEAB COc1ccc(NC(=O)CCCCCN2C(=O)CCC2=O)cc1 11637841 PCEVRRCDFZBEQS-UHFFFAOYSA-N 318.373 2.343 0 40 DEAB CCc1ccc(C(=O)NC(=S)N2CCC(C(=O)O)CC2)cc1 226350293 UUSCTDKJPJNONG-UHFFFAOYSA-N 320.414 2.060 0 40 DEAB COC(=O)CC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 34223786 QRKZVTSVPKOTEG-CYBMUJFWSA-N 321.373 2.255 0 40 DEAB C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)NC(N)=O 5302465 QCGSNYDEGZDSLI-VIFPVBQESA-N 324.402 2.147 0 40 DEAB CO[C@@H]1CCN(c2ccc(C(=O)NCCn3cccc3)cc2)C1 252494441 NVXQWEDMPXYSBV-QGZVFWFLSA-N 313.401 2.143 0 40 DEAB O[C@H](CNc1ncc(Br)cn1)Cc1ccccc1 67372109 QFNUCKMYZUMGAE-LBPRGKRZSA-N 308.179 2.255 0 40 DEAB O=S(=O)(c1cccc2cccnc12)N1C[C@H]2C[C@H]1CS2 575615993 KTHVAXJXUDVBCW-NWDGAFQWSA-N 306.412 2.113 0 40 DEAB NC(=O)C1CCN(C(=O)c2cnc(-c3ccccc3)s2)CC1 40529028 DCMHMBNHESCAOY-UHFFFAOYSA-N 315.398 2.148 0 40 DEAB CCOCCCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C 51317686 ONWWTCURKCCXQA-UHFFFAOYSA-N 322.796 2.386 0 40 DEAB Cc1ncsc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 21037751 VPCGRKIDAMEPRX-GFCCVEGCSA-N 302.355 2.103 0 40 DEAB COC(=O)c1c(C(=O)OC)c(-c2cccc(N)c2)n2c1CCC2 32627823 FAEFSKPDXVESIR-UHFFFAOYSA-N 314.341 2.257 0 40 DEAB Cc1ccc(C(=O)OCCN2CCCc3ccccc32)c(=O)[nH]1 76090938 KMANRZRIWAGEBA-UHFFFAOYSA-N 312.369 2.293 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc45)C(=O)[C@H]13)O2 1413548 QPIMZZREQHWMAF-PASDCYSWSA-N 321.332 2.211 0 40 DEAB biogenic CCCc1cc2c(cc1C[C@]1(C(C)=O)CCOC1=O)OCO2 1696670 PUXRIQMPGOQDHA-KRWDZBQOSA-N 304.342 2.433 0 40 DEAB CCc1ccc(C(C)(C)CNC(=O)CO[C@@H]2CCOC2)cc1 79645711 ZXMXJRWNCLOLBX-MRXNPFEDSA-N 305.418 2.448 0 40 DEAB C[C@H](NC(=O)c1ccccc1-n1cnnn1)[C@@H]1C[C@H]2CC[C@H]1C2 104103941 KHOWAXQNJUYCMM-ABHRYQDASA-N 311.389 2.217 0 40 DEAB CCN1CCN(CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)CC1 22846404 FLNZFTMBMOUIAP-SFHVURJKSA-N 321.440 2.277 0 40 DEAB Cc1ccc(-c2cc(CNC(=O)NC[C@@H]3CCOC3)on2)cc1 47067670 WLNXCDRKGDOYNV-ZDUSSCGKSA-N 315.373 2.486 0 40 DEAB COC(=O)CSc1cc(C(F)(F)F)c2cn(C)nc2n1 12398491 NPURXSLHNJRWKU-UHFFFAOYSA-N 305.281 2.252 0 40 DEAB Cn1cnnc1CNC(=O)c1ccccc1Nc1ccccc1 47471777 MPOQGVZETFEGBZ-UHFFFAOYSA-N 307.357 2.489 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(Br)cc1 37518037 JJSVRERXZLDOEU-SWPVVBRQSA-N 312.163 2.347 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1 24983994 NBHFATREAQDCSZ-ZIAGYGMSSA-N 315.417 2.235 0 40 DEAB NCc1nnc2ccc(-c3ccc(Br)cc3)nn12 58021797 CKQXBPTVNSVKEM-UHFFFAOYSA-N 304.151 2.013 0 40 DEAB O=c1c2ccccc2nnn1Cc1cc(Cl)c2c(c1)OCO2 25030613 BZNRNGIPVRAIEU-UHFFFAOYSA-N 315.716 2.222 0 40 DEAB NC(=O)c1cccc(CNC(=O)CCCOc2ccccc2)c1 25333014 GHSFGHNVADSJSO-UHFFFAOYSA-N 312.369 2.261 0 40 DEAB CC(C)N(Cc1cnn(C)c1)C(=O)Cc1ccc2c(c1)CCO2 56026004 VHGJADFERVMKSH-UHFFFAOYSA-N 313.401 2.335 0 40 DEAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)nc1 12546099 KDTCZIUKJZZTMW-UHFFFAOYSA-N 313.357 2.474 0 40 DEAB O=C1CSc2ccc(C(=O)Nn3cnc4ccccc43)cc2N1 12539973 RJFOUBXRMQFFDS-UHFFFAOYSA-N 324.365 2.464 0 40 DEAB O=C(NCC1(c2ccccc2F)CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105826 CWZQLUPPKNYFQY-KCPJHIHWSA-N 304.365 2.476 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3O2)no1 44633488 RTLPQMIPQPVKGJ-BBRMVZONSA-N 314.341 2.487 0 40 DEAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100395125 HGGBDSRGLYPJOH-IZKTWJBDSA-N 308.381 2.418 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNc2ncc(C(N)=O)cc2Cl)n1 58225789 RHTPADAQOWNPDE-VIFPVBQESA-N 321.812 2.395 0 40 DEAB Cc1nnc2ccc(Oc3cccc(N4CCCC4=O)c3)nn12 44978591 CADIOMCVNSIHNU-UHFFFAOYSA-N 309.329 2.352 0 40 DEAB C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccccn1 44909883 FQCCTHFBANBZRU-AWEZNQCLSA-N 311.389 2.069 0 40 DEAB O=C(NCc1cccc(N2CCCC2=O)c1)N1CCSCC1 44970486 IYZBGQMAVMLOHC-UHFFFAOYSA-N 319.430 2.072 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)no1 44972142 HBDBGCPTAZEIBE-VIFPVBQESA-N 300.318 2.360 0 40 DEAB CCNC(=O)NC(=O)CNc1cc(Cl)c(OC)c(Cl)c1 58315278 IQFHZGQZYJQZMA-UHFFFAOYSA-N 320.176 2.260 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Cl 20003369 PGUBVFDNBMUUNL-UHFFFAOYSA-N 318.763 2.296 0 40 DEAB COc1ccc(C)cc1NC(=O)c1nc2ccccc2c(=O)[nH]1 28210321 QESMOUWCFOGPEN-UHFFFAOYSA-N 309.325 2.492 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)CSC1=NCCN1 12752674 OTUWOACBIMIJCL-UHFFFAOYSA-N 315.801 2.130 0 40 DEAB Cc1ocnc1CNC(=O)N1CCO[C@@H](c2ccccc2)C1 92520857 PKDOWFKQHSZTHA-OAHLLOKOSA-N 301.346 2.266 0 40 DEAB CCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C 13477106 VHMITLQBZBYJHY-UHFFFAOYSA-N 310.423 2.116 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 306132932 LWSYLADINNSNJI-AWEZNQCLSA-N 304.390 2.268 0 40 DEAB COc1ccc(C(=O)CSc2nc(C)cc(=O)[nH]2)cc1OC 13634726 LJICJELSVBYXPZ-UHFFFAOYSA-N 320.370 2.071 0 40 DEAB O=C(Nc1ccc2[nH]ccc2c1)C(=O)NC1Cc2ccccc2C1 13732841 BLZAEJXUYOFMGR-UHFFFAOYSA-N 319.364 2.390 0 40 DEAB CNC[C@@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 71144071 ACFOJRAPCIPXGF-VIFPVBQESA-N 315.186 2.270 0 40 DEAB Cc1ccc(Nc2nc(N3CCOCC3)nc3nccnc23)cc1 9074147 KCKRTAIBQLMVEN-UHFFFAOYSA-N 322.372 2.308 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 71849451 PQJFCZLNFCAKRI-RDBSUJKOSA-N 302.422 2.367 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cccnc1 71883053 SWARRFAYBOWYGM-ZDUSSCGKSA-N 303.312 2.369 0 40 DEAB COc1c(CNCc2ccccc2CO)c(C(C)C)nn1C 65478116 MGYRGIUJMXJPCZ-UHFFFAOYSA-N 303.406 2.334 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)Nn1cnc2ccccc2c1=O 14604756 TXZMJFJOGVBRFG-UHFFFAOYSA-N 318.336 2.191 0 40 DEAB CCn1c([C@H](C)NC(=O)Cc2ccc(OC)cc2)n[nH]c1=S 4739080 OFFOWONCMGJPRL-JTQLQIEISA-N 320.418 2.389 0 40 DEAB CCCn1c(SCC(=O)Nc2ccccc2C)n[nH]c1=O 6888269 DUVIXHFDOKQGQE-UHFFFAOYSA-N 306.391 2.021 0 40 DEAB CCNC(=O)N1CC[C@H](N[C@H]2CCCOc3ccc(F)cc32)C1 90411115 QNMIHQPZCYSEJP-ZFWWWQNUSA-N 321.396 2.433 0 40 DEAB CCOC(=O)C1CCN(CC(=O)N[C@@H](C)c2cccs2)CC1 7663555 JNBRDFBXMWCEJK-LBPRGKRZSA-N 324.446 2.200 0 40 DEAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCOCC1 19908928 MXOBYRJTTRONIV-MRXNPFEDSA-N 302.418 2.260 0 40 DEAB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1CCC1 7987687 JZJOUEPIARSXAN-UHFFFAOYSA-N 317.389 2.232 0 40 DEAB Cc1ccccc1N1C[C@@H](C(=O)Nc2nccs2)CC1=O 8216784 XEDBKNDZWFGMEE-NSHDSACASA-N 301.371 2.443 0 40 DEAB Cc1cc(C)n(CCC(=O)N2CCCC[C@@H]2Cn2cccn2)n1 70018367 LACZFHUZCJMVML-MRXNPFEDSA-N 315.421 2.168 0 40 DEAB NC(=O)c1ccc(N2CCC(c3c[nH]c4ccccc34)CC2)nn1 71922419 MOEFMONBMXMDIW-UHFFFAOYSA-N 321.384 2.441 0 40 DEAB CN(C)C(=O)c1ccc2c(c1)CCCN2C(=O)c1ccncc1 69417726 WVHJCVRNWZQAAT-UHFFFAOYSA-N 309.369 2.376 0 40 DEAB CCc1noc(CCCC(=O)N2CCC[C@H](n3ccnc3)C2)n1 69654767 SEVCJSNKASVYFG-ZDUSSCGKSA-N 317.393 2.015 0 40 DEAB C[C@@H](Sc1ccc(S(C)(=O)=O)cc1)C(=O)NC(C)(C)C 69745033 TYNLARBWKVOLTR-SNVBAGLBSA-N 315.460 2.485 0 40 DEAB NC(=O)[C@H]1CN(C(=O)Cc2c(F)cccc2F)c2ccccc21 87282162 SNJWCLZQJIDZOK-LBPRGKRZSA-N 316.307 2.123 0 40 DEAB CC(C)(C)[C@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(N)=O 87352591 CQRHTSLSGMSHFS-SNVBAGLBSA-N 320.286 2.474 0 40 DEAB Clc1ccc(CSc2nnnn2C[C@@H]2CCCO2)nc1 97046736 SXYAJWXYIZPZOL-NSHDSACASA-N 311.798 2.193 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@@H](C(=O)O)C1 97039462 HHUOOCRNZUXKPQ-CHWSQXEVSA-N 313.357 2.164 0 40 DEAB CC(C)c1cc(NC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)on1 72270662 IRMREDYQXWEKLY-LBPRGKRZSA-N 317.393 2.339 0 40 DEAB C[S@@](=O)CCNCc1ccccc1OCc1cccnc1 72286926 NWOGSWQCLRXYNG-NRFANRHFSA-N 304.415 2.129 0 40 DEAB Cc1cnc(CN(C)[C@H]2CCN(C[C@H](O)c3ccccc3)C2)o1 95402341 AXNBRMFKZQGGSR-IRXDYDNUSA-N 315.417 2.223 0 40 DEAB C[C@@H](c1ccco1)N(C(=O)NCc1nnnn1C1CC1)C1CC1 95409973 UZDJMCYLOHKRTF-JTQLQIEISA-N 316.365 2.036 0 40 DEAB CCc1noc(CC)c1CNC(=O)Nc1ccc2[nH]nnc2c1 95434492 NMASXKWSHOZKTN-UHFFFAOYSA-N 314.349 2.392 0 40 DEAB COc1ncccc1C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 95440422 CQUSDEULNXUHJW-LBPRGKRZSA-N 323.356 2.162 0 40 DEAB Cc1cc(C)n(CC/C(O)=N/c2nc(C(F)(F)F)n[nH]2)n1 73956775 LYJKONBEUBHQOF-UHFFFAOYSA-N 302.260 2.315 0 40 DEAB Cc1cccc(C(C)(C)NC[C@@H]2CCCN(S(C)(=O)=O)C2)c1 95985276 KMDPSKNWXBNILT-HNNXBMFYSA-N 324.490 2.491 0 40 DEAB O=c1[nH]c(CN2CCN(c3ccccn3)CC2)cc2ccccc12 95945705 WUEUVIGDEXLBBW-UHFFFAOYSA-N 320.396 2.245 0 40 DEAB CN(CCOc1ccccc1)[C@H]1CCCC[C@@H]1S(C)(=O)=O 89346393 VGHZFSOUWGMGCG-HOTGVXAUSA-N 311.447 2.353 0 40 DEAB CC(C)n1cc(NC(=O)NCCCN2CCCCCC2=O)cn1 89894054 CHTBOIGKPMKZME-UHFFFAOYSA-N 321.425 2.378 0 40 DEAB CC[C@@H](CNC(=O)c1c(C)nn(C)c1OC)Oc1ccccc1 75610671 GJPPEJPRVGZQJJ-ZDUSSCGKSA-N 317.389 2.325 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306129051 HSOYLFYWTHIVAU-INIZCTEOSA-N 318.417 2.262 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@]1(O)CCCc2ccccc21 66931554 KSRPTBJAKHIKEW-GOSISDBHSA-N 314.385 2.174 0 40 DEAB O=C(O)C[C@H]1CCCN1C(=O)c1cnn(-c2ccccc2F)c1 519868241 ZDWAMXGKCUWBTC-GFCCVEGCSA-N 317.320 2.091 0 40 DEAB Cc1c(C)[n+](C)c([C@@H](CC(=O)O)c2ccc(F)c(F)c2)n1O 524733373 MFWZQGRHHIOTAS-NSHDSACASA-O 311.308 2.052 0 40 DEAB O=C(N[C@H]1CCCN(C(=O)c2ccco2)C1)c1ccccc1F 30823003 WUNNFHCZRCOCDW-LBPRGKRZSA-N 316.332 2.453 0 40 DEAB O=C1NC(=S)N=C(O)/C1=C/c1cc(Cl)c(O)c(Cl)c1 33837794 FXGOFOHRQXGDGR-UHFFFAOYSA-N 317.153 2.454 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@H](CCC(=O)O)C1 70463089 COZYNQYWJHJZAA-CYBMUJFWSA-N 311.403 2.261 0 40 DEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@@H](O)C1CCCCC1 70636795 KFIHCMGILJODIP-MRXNPFEDSA-N 322.449 2.051 0 40 DEAB Cc1ccsc1[C@H](O)CNC(=O)c1ccc2c(c1)OCO2 70635641 HJDRAWROJKARNN-LLVKDONJSA-N 305.355 2.249 0 40 DEAB O=C(c1cccc(F)c1)N1CC(=O)N2CCc3ccccc3[C@H]2C1 36070936 ZUJZQFWOJYTTJE-QGZVFWFLSA-N 324.355 2.408 0 40 DEAB Cc1ccc(F)c(NC(=O)C(=O)NCc2cnc(C)s2)c1 77820598 SZZSIUVWBUMFBT-UHFFFAOYSA-N 307.350 2.154 0 40 DEAB COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1F 30289684 HIVQNKHPTGRLQW-UHFFFAOYSA-N 313.325 2.452 0 40 DEAB C[C@]1(c2ccccc2)CN([C@@H](C(=O)O)c2cccnc2)CCO1 565106474 XCOMDMILRKZEKA-SJLPKXTDSA-N 312.369 2.455 0 40 DEAB CCSc1ccc(Cl)cc1C(=O)N[C@H]1CC(=O)N(C)C1 84185770 AQSUQQFRHLXWHC-JTQLQIEISA-N 312.822 2.413 0 40 DEAB COc1c(CN2CCOC[C@@H]2c2nc(C)cs2)c(C)nn1C 190402969 DRZLVCDCGLWHBX-CYBMUJFWSA-N 322.434 2.076 0 40 DEAB Ic1cncnc1N1CCCCCC1 83813787 SJTXOKOWWYMYDF-UHFFFAOYSA-N 303.147 2.462 0 40 DEAB CN(Cc1ncccn1)[C@H]1CCN(c2ccccc2Cl)C1=O 192019179 PPSVZUTWERLPLQ-AWEZNQCLSA-N 316.792 2.367 0 40 DEAB COC(=O)CCc1csc(Cc2cn3ccccc3n2)n1 195230065 IXFMURGLIAHWPN-UHFFFAOYSA-N 301.371 2.487 0 40 DEAB CC[C@@H](C)c1noc([C@H]2CCCCN2S(=O)(=O)CC)n1 41122882 YMUGESRZXCDICG-GHMZBOCLSA-N 301.412 2.460 0 40 DEAB CC[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc(C)cc1 226548458 HHEWVUNZFLVXSN-QMHWVQJVSA-N 315.369 2.217 0 40 DEAB Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@@H]1CCCO1 195560574 MMMAMPJRWUJNIL-FUHWJXTLSA-N 304.434 2.137 0 40 DEAB CCO[C@H]1CO[C@@]2(CCN(Cc3cc(OC)cc(OC)c3)C2)C1 96107693 PBDYWGMERLXKOP-MSOLQXFVSA-N 321.417 2.474 0 40 DEAB C[S@](=O)c1nncn1CCOc1cc(Cl)cc(Cl)c1 96422229 KSZMNSSYAGZVAQ-LJQANCHMSA-N 320.201 2.401 0 40 DEAB COC[C@@H](O)CNC(=O)Nc1ccc2c(ccn2CC(C)C)c1 96410625 BIPUCQCOPJSXEJ-HNNXBMFYSA-N 319.405 2.426 0 40 DEAB O=C1CCCN1CCN1CCC(c2c[nH]c3ncccc23)CC1 96424356 JRTPOEGWKRSAHY-UHFFFAOYSA-N 312.417 2.365 0 40 DEAB CC(C)C[C@](C)(NC(=O)c1cc(F)cc2cccnc12)C(N)=O 95453439 OMUFWUXKAHRJFK-KRWDZBQOSA-N 317.364 2.394 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2[C@@H](C1)CN2Cc1ccccc1F 247867751 PIBSHVHNHUARQF-IUODEOHRSA-N 317.389 2.239 0 40 DEAB Cc1ccn(CCC(=O)N2CCC[C@H](c3nccs3)C2)n1 257238597 HLTAMUDILFSYMG-ZDUSSCGKSA-N 304.419 2.444 0 40 DEAB COc1cccc(CN2CCOC[C@@H]2c2[nH]ncc2C)c1F 257305756 SRKHJBOLDOUUHH-CYBMUJFWSA-N 305.353 2.439 0 40 DEAB O=C(c1cncs1)N1C[C@H]2CC[C@H](Oc3cccnc3)[C@H]2C1 257246376 ITVWXHVSVTXKCP-XBFCOCLRSA-N 315.398 2.468 0 40 DEAB CNC(=O)[C@@]1(C)CN(c2ccc(C(F)(F)F)cc2)CCO1 257336159 YNKZHZBDXOGISP-CYBMUJFWSA-N 302.296 2.047 0 40 DEAB CN1CCC(NC[C@H]2CC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585285422 CMHVRLQBCJSWQR-FSPWUOQZSA-N 322.424 2.028 0 40 DEAB C[C@H](NC(=O)N1CCN(c2ncccn2)CC1)c1cccs1 26246501 VAYZROPIMHRKEB-LBPRGKRZSA-N 317.418 2.131 0 40 DEAB C[C@H](CNC(=S)Nc1ccc2c(c1)OCCO2)N1CCCC1 46110859 WKELHGBPQVVVLZ-GFCCVEGCSA-N 321.446 2.229 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)no1 84116982 GHTDZAHMFLSWSO-HNNXBMFYSA-N 313.357 2.137 0 40 DEAB Cc1cc(C)c(NC(=O)NCC(=O)NC(C)(C)C)c(Cl)n1 84111501 XLKXFORDKRICDK-UHFFFAOYSA-N 312.801 2.388 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1F 75110564 NIPYOIWEYTUUDB-NEPJUHHUSA-N 312.410 2.038 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2CCN2CCOC2=O)c1 75838498 QMIVGWBVZLLESU-MRXNPFEDSA-N 303.406 2.342 0 40 DEAB Cc1nc([C@H]2CCCN2Cc2ccc(C(=O)N(C)C)cc2)no1 76018019 AMXVHJOUTBRIFZ-OAHLLOKOSA-N 314.389 2.417 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)no1 87500096 NBXUDQPZWGTPOX-JTQLQIEISA-N 307.300 2.270 0 40 DEAB COc1ccc(CCC(=O)N[C@@](C)(C(=O)O)C(C)C)cc1F 95989681 RTGOWBMHXFJACR-MRXNPFEDSA-N 311.353 2.382 0 40 DEAB CO[C@]1(CNC(=O)C2(c3ccc(F)cc3)CC2)CCSC1 96364470 ILNCBWSNRKQRAW-HNNXBMFYSA-N 309.406 2.496 0 40 DEAB O=C(Cn1cccn1)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 96412551 LFSOFFIJAIWKKB-HZPDHXFCSA-N 315.373 2.204 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NC[C@H](O)c1ccsc1 97114627 YCJVMEFZDVBWDL-LBPRGKRZSA-N 315.391 2.208 0 40 DEAB c1ccc2oc(N3CCN(c4ncnc5c4CCC5)CC3)nc2c1 591865044 ONAFNZILOQENFT-UHFFFAOYSA-N 321.384 2.433 0 40 DEAB NC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1 12481315 CQEYRVFDMBKDJQ-UHFFFAOYSA-N 302.334 2.137 0 40 DEAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C[C@@H](C)O1 13114335 ZQDPKXFHQVVUAE-AOOOYVTPSA-N 307.781 2.186 0 40 DEAB CC[C@H](C(=O)NC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13712925 MFVZOUYLYAWGKO-CQSZACIVSA-N 312.435 2.064 0 40 DEAB CCOc1ccc2[nH]c(=O)c(CNc3ccc[nH]c3=O)cc2c1 19519943 SAXJGEUZWXYNHA-UHFFFAOYSA-N 311.341 2.227 0 40 DEAB CCc1cc(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)on1 19522783 OAUAWJFIWUTWER-HNNXBMFYSA-N 305.353 2.295 0 40 DEAB COc1ccc(C)cc1NC(=O)Cn1nnc(-c2ccccc2)n1 7109695 AJCHFQAHXUPMDX-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB O=C1COC[C@@]2(CCN(CC3CC3)C2)CN1c1ccccc1 2037980949 OGBXVYPHSVOCJS-GOSISDBHSA-N 300.402 2.152 0 40 DEAB S=c1nc(NCCCN2CCOCC2)c2ccccc2[nH]1 23114534 LJQUNKPXTJZXMX-UHFFFAOYSA-N 304.419 2.427 0 40 DEAB OC[C@@]12CCCC[C@H]1CN(c1nccc(C(F)(F)F)n1)C2 2086850080 AQEKFFWMYJPZBB-GWCFXTLKSA-N 301.312 2.484 0 40 DEAB COc1ccc(C(=O)Nc2sccc2C(N)=O)cc1OC 4275736 LORRZRFBMUDPOE-UHFFFAOYSA-N 306.343 2.117 0 40 DEAB in-vivo CCn1cc(/N=c2/scc(C)n2[C@H]2CCN(C(C)=O)C2)cn1 101644842 FUTYMIPRUXVZPZ-AQTLKONXSA-N 319.434 2.100 0 40 DEAB O[C@@H](COc1ccccc1)CN1C2=NCCN2c2ccccc21 301975 LANOFCYDNTXDBD-CQSZACIVSA-N 309.369 2.123 0 40 DEAB CCCn1c(SCC(=O)Nc2cc(C)cc(C)c2)n[nH]c1=O 8474894 RJTIRRDXPCEEFL-UHFFFAOYSA-N 320.418 2.329 0 40 DEAB C[C@H]1CN(C(=O)[C@@H](C)n2cncn2)c2cc(Cl)ccc2O1 76067262 BHQNXXNKTKPLQT-VHSXEESVSA-N 306.753 2.307 0 40 DEAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2c1OCO2 78898510 CHTZXUVZYVCDIJ-WFASDCNBSA-N 316.401 2.152 0 40 DEAB O=C1CSC(NC(=O)Nc2cccc(C(F)(F)F)c2)=N1 6511732 MMAXUSJXWMRTEO-UHFFFAOYSA-N 303.265 2.456 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cnn2cccnc12 47009770 WFCCIIVPPQRTED-OCCSQVGLSA-N 302.378 2.054 0 40 DEAB CCOC(=O)c1noc(C)c1CNc1ccc(C(=O)O)cc1 12394729 MSWSRJHZHZRZPA-UHFFFAOYSA-N 304.302 2.470 0 40 DEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)C1CC1 23040444 BUBLPZIKILKTKU-PWSUYJOCSA-N 310.419 2.046 0 40 DEAB O=C(CN1CCO[C@@H]2CCC[C@@H]21)Nc1ccc2c(c1)CCC2 54343552 GWXBHLHYFOIUFC-DLBZAZTESA-N 300.402 2.367 0 40 DEAB CCc1cccc(OCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1 42536361 YWPDIEODBNCNII-LBPRGKRZSA-N 314.389 2.043 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2nnc(C3CC3)o2)n1 69621444 SRIGMYSRZFPLAW-CQSZACIVSA-N 316.409 2.210 0 40 DEAB C[C@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1F 23797902 FTYOKRAQANJVDT-NSHDSACASA-N 315.348 2.485 0 40 DEAB CC(C)(C)c1nc(CN2CCN(C(=O)NC3CC3)CC2)cs1 55337646 PIDJCLMRXVWXAJ-UHFFFAOYSA-N 322.478 2.430 0 40 DEAB Cc1ccc([C@@H]2[C@H]3C(=O)NC(=O)[C@@H]3ON2c2ccccc2C)cc1 106775888 ZMSUZVXHYBENOX-BRWVUGGUSA-N 322.364 2.438 0 40 DEAB COCCC(=O)N1C[C@@H]2CN(Cc3ccccc3Cl)[C@H]2C1 107798201 WOXILZNDGVOCNS-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB CCn1cc(NC(=O)NCCc2ccc3c(c2)OCCO3)cn1 43645286 ZPVHZQKWMGNGJI-UHFFFAOYSA-N 316.361 2.038 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cncs2)cc1 97113411 UOCIUBZDJSCBII-LBPRGKRZSA-N 310.444 2.404 0 40 DEAB O=c1n(CCN2CCC[C@H]2c2ccccc2)nc2ccccn12 26913221 GQQIDSNXGQZKPQ-INIZCTEOSA-N 308.385 2.333 0 40 DEAB O=C(Nc1cccc(CNCc2cccnc2)c1)[C@H]1CCCO1 58014456 VVWFYXDLKKIOPM-QGZVFWFLSA-N 311.385 2.489 0 40 DEAB O=C(COCc1ccccc1Cl)N[C@H]1CCN(C2CC2)C1 58174081 UXRXOYRODKUQGS-ZDUSSCGKSA-N 308.809 2.210 0 40 DEAB O=C(Cn1c(-c2ccccn2)noc1=O)c1ccc2c(c1)CCC2 58355093 BLJVRHNTTALNAF-UHFFFAOYSA-N 321.336 2.270 0 40 DEAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)c1cnccn1 58310924 JKWGDRRNBPMKSF-UHFFFAOYSA-N 318.808 2.334 0 40 DEAB CCCCNC(=O)NCCn1nc(C)c(Br)c1C 36612178 AJQCJOHYQQPYLW-UHFFFAOYSA-N 317.231 2.362 0 40 DEAB Cc1nnc2n1CCN(Cc1ncc(-c3ccc(F)cc3)o1)C2 69665376 AEWINSBDPVXWKN-UHFFFAOYSA-N 313.336 2.396 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1ccc(Cn2cc(Cl)cn2)cc1 27969623 BQHGYGGYMVRWGQ-HNNXBMFYSA-N 319.792 2.494 0 40 DEAB Clc1cc(CNCCn2cccn2)cc2c1OCCCO2 48449452 NOSWPJJWPUWWFU-UHFFFAOYSA-N 307.781 2.488 0 40 DEAB Cc1ccccc1[C@H]1CCN(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 69737779 YCIOSKUEJVZUQD-CABCVRRESA-N 321.442 2.136 0 40 DEAB CN(Cc1ccccc1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1 4110054 YOCOLOZTFYCQJN-MRXNPFEDSA-N 312.369 2.429 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCN(C[C@H](O)c2ccccc2)CC1 69951506 MAPGRIASBAPKIN-ROUUACIJSA-N 314.429 2.221 0 40 DEAB COc1ccc2nc(SCC(=O)NCC(F)(F)F)[nH]c2c1 13685157 YIECCLQBUNXUNT-UHFFFAOYSA-N 319.308 2.342 0 40 DEAB CCOc1ncnc2c1CN(C[C@H](O)c1ccc(F)cc1)CC2 65523334 GNXKZURHIYHWGD-INIZCTEOSA-N 317.364 2.106 0 40 DEAB Cc1nc2nc(NC(=O)c3ccc(F)cc3)nn2c(O)c1Cl 8914156 NFZMGLZXKXLFEH-UHFFFAOYSA-N 321.699 2.183 0 40 DEAB Cn1cc(C2N3CC4(C)CN2CC(C)(C3)C4N)c2ccccc21 19331444 MPADLVHLFLIBKM-UHFFFAOYSA-N 310.445 2.162 0 40 DEAB biogenic COC(=O)c1cc(OC(=O)c2ccc(C)o2)cc(C(=O)OC)c1 7058718 FAVRUYPMFUVSOH-UHFFFAOYSA-N 318.281 2.380 0 40 DEAB CC(C)n1nnnc1S[C@H](C)C(=O)N(C)c1ccccc1 16453097 SKSOZKRHMJWIBZ-LLVKDONJSA-N 305.407 2.398 0 40 DEAB O=C(c1occc1Br)N1CCOc2ncccc21 81551434 FCYWBHSNVRPDCF-UHFFFAOYSA-N 309.119 2.476 0 40 DEAB CCn1cc(Br)cc1C(=O)NO[C@@H]1CCCCO1 69438881 QRDQDBUMQAIUKI-LLVKDONJSA-N 317.183 2.459 0 40 DEAB COc1ccccc1NC(=O)Nc1ccc(-n2cnnn2)cc1 8428396 QADDORSWEZBNMR-UHFFFAOYSA-N 310.317 2.315 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)no1 71829587 YANKAAKSYAJQOS-AAEUAGOBSA-N 313.357 2.068 0 40 DEAB CC[C@@H](C)[C@@H](C)NC(=O)c1ccc(F)c(NS(C)(=O)=O)c1 71853417 VCAAFIDDRFRYEK-NXEZZACHSA-N 316.398 2.362 0 40 DEAB O=C(CCOc1ccccc1)Nc1cnn(C[C@@H]2CCCO2)c1 71821254 AAOXKPYWWVLLGR-INIZCTEOSA-N 315.373 2.470 0 40 DEAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)NCC2CCCCC2)no1 71859246 KGXXLVTWHVNTJB-GTJPDFRWSA-N 312.435 2.317 0 40 DEAB CC(C)c1ncncc1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 71819742 HNTMNTCUAFHWQN-CQSZACIVSA-N 312.373 2.096 0 40 DEAB COc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cn1 83962637 KWJKWWQYPHAWFC-UHFFFAOYSA-N 305.378 2.258 0 40 DEAB CCN1CCC(n2nccc2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 72787970 FWRCEEJQTKWAKB-KFWWJZLASA-N 318.421 2.046 0 40 DEAB O=C1[C@H](Nc2ncccn2)CCN1c1ccccc1OC(F)F 95397836 BVSGYQXFUDBXNO-SNVBAGLBSA-N 320.299 2.295 0 40 DEAB O=C(Nc1n[nH]c(-c2ccoc2)n1)c1cc2ccccc2c(=O)[nH]1 72286806 CIKFZLULVBHKKE-UHFFFAOYSA-N 321.296 2.159 0 40 DEAB CCc1nc(CN2CCC[C@H]2c2c(C)nn(C)c2OC)no1 72267592 OHJLGCCYJDXCKY-NSHDSACASA-N 305.382 2.020 0 40 DEAB C[C@@](Cc1ccccc1)(NC(=O)CCc1cscn1)C(=O)O 95424783 WTUXTQYBSKAXQY-INIZCTEOSA-N 318.398 2.278 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)Cc2ccccc2OC(F)F)C1 95425583 QDLVEUDFDFUWAU-OAHLLOKOSA-N 313.300 2.154 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCS[C@@H]2COCC[C@H]21 95426780 AQFXYVNXARTQGP-UKRRQHHQSA-N 318.398 2.103 0 40 DEAB O=C(Cc1ccc(O)cc1)N1C[C@@H](O)C[C@@H]1C1CCCCC1 95445927 IZQFUKGWMJRUEZ-DLBZAZTESA-N 303.402 2.477 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(Br)c(F)c2)CCN1 88058954 ZTQSOXOPLDMTTQ-MRVPVSSYSA-N 301.159 2.022 0 40 DEAB COCC[C@H](C)NCC1(c2ccc3c(c2)OCO3)CCOCC1 88549329 GBPQYUXFSMUJPK-AWEZNQCLSA-N 321.417 2.478 0 40 DEAB Cc1cc(NC(=O)CCOc2nnc(-c3ccccc3)o2)no1 95990830 YIRQXEJYIXXVNL-UHFFFAOYSA-N 314.301 2.441 0 40 DEAB COc1cc(C)cc(CNC(=O)Nc2c[nH]c(=O)c(C)c2)c1 95975676 MAJKZUNOGJYLAT-UHFFFAOYSA-N 301.346 2.322 0 40 DEAB COC(=O)[C@@H](NC(=O)c1[nH]c(C)cc1C)c1ccccc1F 89568599 BWNAOOXJGROXIK-AWEZNQCLSA-N 304.321 2.415 0 40 DEAB CCOc1ccccc1CNC(=O)N1CCC[C@@H](N(C)C)C1 75128152 ZZMOHEHBHAEEPV-OAHLLOKOSA-N 305.422 2.321 0 40 DEAB O=C(C[C@@H]1C=CCC1)NS(=O)(=O)c1cccc2cnccc12 69594433 ALVCFUHPCQFMPD-GFCCVEGCSA-N 316.382 2.396 0 40 DEAB CCCCc1ccc(NC(=O)CN(C)S(=O)(=O)CC)cc1 175686892 LREWISGITCOWDO-UHFFFAOYSA-N 312.435 2.249 0 40 DEAB O=C(NCC(F)F)[C@@H]1CCCCN1Cc1ncccc1Cl 528521399 SNJFQKQBGLSJOW-LBPRGKRZSA-N 317.767 2.471 0 40 DEAB CCC[C@H]1[C@H](C)CCCN1Cc1nc(CS(C)(=O)=O)no1 72776064 SMGKXHPAWNWVJC-NEPJUHHUSA-N 315.439 2.015 0 40 DEAB CN(C)c1cccc(C(=O)N2CC[C@H](Oc3ccncc3)C2)c1 121773235 PAMNUXFMZYSQAF-KRWDZBQOSA-N 311.385 2.441 0 40 DEAB CCc1ccc(C(=O)N2CCC(c3nncn3C)CC2)s1 71185441 ZXFOITREMCQORU-UHFFFAOYSA-N 304.419 2.459 0 40 DEAB Cn1cc(CN2CCc3[nH]nc(Nc4ccccc4)c3C2)cn1 72367993 BMXWEUAUEJDBJI-UHFFFAOYSA-N 308.389 2.445 0 40 DEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(C)=O 222900722 FNWOELORNXZCAW-CYBMUJFWSA-N 324.396 2.106 0 40 DEAB O=C(Cc1cccc(C(F)(F)F)n1)N[C@@]12CCC[C@H]1NCC2 1580570749 AUNLPOSDCYGZOV-BXUZGUMPSA-N 313.323 2.044 0 40 DEAB Cc1cnc(C(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2Cl)cn1 81820548 OPKCDHJZYHFBPE-YMTOWFKASA-N 323.755 2.429 0 40 DEAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(Cc3nccs3)C2)C1 96218500 UPLOLUJZAOBOBG-DOTOQJQBSA-N 321.490 2.323 0 40 DEAB CSC(C)(C)CNC(=O)NCC[S@](=O)c1ccccc1 96440377 AZNQUXVCIXNLAT-HXUWFJFHSA-N 314.476 2.235 0 40 DEAB COCCOC1CN(C(=O)[C@H]2C[C@@]23CCCc2ccccc23)C1 97212833 IUJTVUBHLALWQF-IEBWSBKVSA-N 315.413 2.154 0 40 DEAB Cc1cc(=O)c(O)c([C@H](CC(=O)N2CCOCC2)CC(C)C)o1 96232300 JHLXJQPMMQYGNF-ZDUSSCGKSA-N 323.389 2.032 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CCO1 96440657 RVPQATZQJAJXHY-AAEUAGOBSA-N 312.435 2.044 0 40 DEAB O=C(c1ccccc1Br)N1CCc2ncncc2C1 96122822 RBIGVWMWGIMWGT-UHFFFAOYSA-N 318.174 2.438 0 40 DEAB CCOC(=O)CCc1ccc(NC(=O)c2cc(C)n(C)n2)cc1 96416513 FXGGMUGBKBCQOH-UHFFFAOYSA-N 315.373 2.477 0 40 DEAB CCn1nnc2c1CCN(C(=O)CC1=CCCCC1)[C@@H]2COC 96045335 GKWDRIKGPIAMML-OAHLLOKOSA-N 318.421 2.261 0 40 DEAB O=C(c1cccs1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 96053632 AWOVYNXYZOSNMR-GXTWGEPZSA-N 312.394 2.483 0 40 DEAB CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1cc(C(N)=O)cs1 96411292 FNFXZKZRXARYQB-GXFFZTMASA-N 324.446 2.418 0 40 DEAB O=C(NCCc1nc(C2CC2)cs1)N1CC[C@@]2(CCOC2)C1 95410620 NLPVSRJFWWNJNC-MRXNPFEDSA-N 321.446 2.385 0 40 DEAB Cc1cccc(N2CCN(CCOC[C@H]3CCCO3)[C@@H](C)C2)n1 248122273 VSIAKRANLXHSTH-DLBZAZTESA-N 319.449 2.096 0 40 DEAB COC[C@@H]1CN(C(=O)c2ccsc2)CC12CCN(C)CC2 248108547 GNDVNTMVWTZCFG-AWEZNQCLSA-N 308.447 2.179 0 40 DEAB CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252477794 VPEVIOBGWRHLJO-QAETUUGQSA-N 323.481 2.173 0 40 DEAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(C)cc1Cl 51770432 KUKNFXFCMYCKPA-UHFFFAOYSA-N 319.810 2.222 0 40 DEAB O=C(CCCC1CCOCC1)NC1CCN(CC(F)F)CC1 252511162 ZVKOCCVUMYQRIY-UHFFFAOYSA-N 318.408 2.429 0 40 DEAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](Cc2ccccn2)C1 257222653 DUERPBACZPQIHP-CYBMUJFWSA-N 321.384 2.448 0 40 DEAB CCOc1nc(C(=O)N(C)c2ccc(C(F)(F)F)nn2)co1 904940983 SLEZECNXBCWLLO-UHFFFAOYSA-N 316.239 2.159 0 40 DEAB COC[C@]1(CC(N)=O)CCCN1Cc1ccc2ncccc2c1 585276581 BMZYQIPYZMWTBJ-GOSISDBHSA-N 313.401 2.091 0 40 DEAB CNC(=O)C[C@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn21 585111878 ICGCUXORRQLIJK-HNNXBMFYSA-N 318.808 2.230 0 40 DEAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCOC1 72273582 XWKBYTPZXUDCGC-LLVKDONJSA-N 321.764 2.085 0 40 DEAB CCO[C@@H](C)c1noc(CNc2c(C)cccc2C(N)=O)n1 85280113 AXRYNKQVZTXPPN-JTQLQIEISA-N 304.350 2.187 0 40 DEAB C[C@H](CNC(=O)c1cccc(-n2cccn2)c1)Cn1ccnc1 78986609 JOWAFZMBXFYHEZ-CQSZACIVSA-N 309.373 2.135 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@H](O)C1)Oc1cccc(Cl)c1 80496841 DKWUHDMYJRCKPQ-YPMHNXCESA-N 312.797 2.274 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)c1ccc[nH]c1=O 40515252 PYHSZMFRUUSXBS-UHFFFAOYSA-N 311.135 2.003 0 40 DEAB Cc1ncc(C(=O)N[C@H](c2ccccc2)c2ccnn2C)c(C)n1 12194146 VHYNAQIVTAMJEQ-QGZVFWFLSA-N 321.384 2.346 0 40 DEAB Cc1ccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)cc1 19201922 JPBZLFHPZRBYQF-GXDHUFHOSA-N 318.398 2.321 0 40 DEAB COc1ccccc1OCC(=O)N1CC[C@H](OCC2CC2)C1 390830665 MOQLFEZRNNHNIY-AWEZNQCLSA-N 305.374 2.102 0 40 DEAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccn2)cc1 5060201 VHHMSXIXQPMWRK-UHFFFAOYSA-N 312.325 2.470 0 40 DEAB COc1ccc(F)cc1C(=O)COC(=O)c1ccc(O)cc1O 6080845 ZLTLOSOVOVZTNP-UHFFFAOYSA-N 320.272 2.285 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)C(C)C 13012291 XUQNUKRXLNENDN-GFCCVEGCSA-N 300.305 2.387 0 40 DEAB Cc1cc(C(=O)Nc2ccc3nc(O)[nH]c3c2)nc(C2CC2)n1 1888901246 HOVQZLIYRMGFKE-UHFFFAOYSA-N 309.329 2.497 0 40 DEAB C[C@H](NC(=O)c1ccc(O)nn1)c1ccccc1Br 23525669 JYILKTAOUFDAPI-QMMMGPOBSA-N 322.162 2.436 0 40 DEAB Cc1noc(C)c1CN1C[C@@H]2CN(c3ncccc3F)C[C@H]2C1 2086934232 KRAZAFXWJJLFTP-ZIAGYGMSSA-N 316.380 2.394 0 40 DEAB COc1cc(-c2nnc(NC(=O)C3CC3)o2)cc(OC)c1OC 4479397 OPFILMUVCZUVPA-UHFFFAOYSA-N 319.317 2.111 0 40 DEAB Cc1nc2ccccc2n1C1CN(C(=O)Cc2cccnc2)C1 1775974114 BNIAQZMUFTYXOD-UHFFFAOYSA-N 306.369 2.366 0 40 DEAB O=C(NC[C@]1(O)CCOc2ccccc21)c1ccc(F)c(F)c1 75158097 FYAPCUCXFFXSBO-QGZVFWFLSA-N 319.307 2.365 0 40 DEAB COC(=O)c1ccccc1NCC(=O)NCc1ccc(F)cc1 40005728 YNASHHZVYXESBJ-UHFFFAOYSA-N 316.332 2.341 0 40 DEAB Sc1nnc2c(Nc3ccc(Cl)cc3)nc3nonc3n12 48914 HJDQOHBHMAFNFA-UHFFFAOYSA-N 319.737 2.346 0 40 DEAB Cc1cc(CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)on1 40468884 RAYRQJNXRLNHQY-SNVBAGLBSA-N 303.293 2.479 0 40 DEAB O=C(O)COc1ccccc1-c1ccccc1OCC(=O)O 151236 QNOKHSMQVBKWCT-UHFFFAOYSA-N 302.282 2.280 0 40 DEAB CCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)O)cc3)cc2C1=O 210786 LWHRMTRMDBIMNR-UHFFFAOYSA-N 323.304 2.232 0 40 DEAB CC(C)[C@@H](CNC(=O)/C=C/c1ccccc1F)N1CCOCC1 32298096 ZTUFZWRCHSYNMB-IWAYRVGRSA-N 320.408 2.312 0 40 DEAB O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Nc1ccc2c(c1)CCC2 102390839 QNCADPDKFDBHKN-HZPDHXFCSA-N 324.380 2.065 0 40 DEAB COC(=O)c1ccc(CNC(=O)NOCc2ccccc2)cc1 32889793 VXGKEPYTYSTKGS-UHFFFAOYSA-N 314.341 2.404 0 40 DEAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 32816411 VOTWCSRLPLPSJS-ZETCQYMHSA-N 322.233 2.314 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C(=O)NC[C@H]2CCCO2)C(C)C)cc1 32975826 OEGCQYWZXAHBDG-HZPDHXFCSA-N 318.417 2.045 0 40 DEAB CC(=O)Nc1c2c(nn1-c1cccc(C)c1C)C[S@@](=O)C2 212261 UKNQFIHXLKYMJN-OAQYLSRUSA-N 303.387 2.210 0 40 DEAB COC[C@@H](CC(C)C)OC(=O)c1cccc(-n2cccn2)n1 76018345 VNYWMKHSIJKZIP-CYBMUJFWSA-N 303.362 2.485 0 40 DEAB Cc1cc([C@H](C)C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)c(C)o1 76053840 NSYADKYKDGQSBT-RVSPLBMKSA-N 320.433 2.179 0 40 DEAB Brc1cncc(NCCOC[C@H]2CCCO2)c1 78262249 HNAMPGWWHXVMKU-GFCCVEGCSA-N 301.184 2.452 0 40 DEAB NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 539755 XEYAPWIXVHZARG-UHFFFAOYSA-N 321.315 2.394 0 40 DEAB COC(=O)c1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6699581 CWIUAGSIBAHCFX-QOBDMFJFSA-N 317.341 2.159 0 40 DEAB COC(=O)Nc1ccc(NC(=O)CCCCCNC(C)=O)cc1 54034731 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322.409 2.113 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1 57327759 WKKQFQOXMPZYFM-LURJTMIESA-N 304.129 2.225 0 40 DEAB O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)Nc1ccccc1 27027792 AUPDCNYCOSUHCW-YDHLFZDLSA-N 319.430 2.351 0 40 DEAB biogenic COc1ccc(NC(=O)COC(=O)c2ccc(OC)cc2)cc1 1943571 AWMBNPXXKWTKQS-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB O=C(O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 3220766 ISPOPAJGXYBVHV-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CN(Cc1ccccc1)C(=O)CN1CCC(c2cn[nH]c2)CC1 97202667 YYJGIACMAXIJQE-UHFFFAOYSA-N 312.417 2.248 0 40 DEAB COCCN(C)C[C@@H]1CCCN1C(=O)NCc1ccccc1F 58344257 XOHWKOIIWUCNOW-HNNXBMFYSA-N 323.412 2.078 0 40 DEAB O=C1[C@H](Cc2ccc(Br)cc2)SC2=NCCN12 36636008 KEGJVXUAAPUCLW-JTQLQIEISA-N 311.204 2.305 0 40 DEAB COc1ccc(OC)c(NC(=O)N2CCN3CCC[C@H]3C2)c1 27932340 QFIWEWCTDNJTFH-LBPRGKRZSA-N 305.378 2.016 0 40 DEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)O)c1 12781805 DHJSWVOTPBVASU-UHFFFAOYSA-N 319.338 2.041 0 40 DEAB CC(C)C[C@@H](NC(=O)NCCS(C)(=O)=O)c1ccccc1 60212125 QONPURYKBTXERW-CQSZACIVSA-N 312.435 2.118 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc3c(C)cc(C)c(C)c3[nH]2)CC1 12981018 FPEMDCPDUOKNAD-UHFFFAOYSA-N 313.401 2.397 0 40 DEAB COc1cccc(OC)c1C(=O)NCc1ccc(C(=O)O)cc1 13166233 ITBAVUFFUYPINB-UHFFFAOYSA-N 315.325 2.332 0 40 DEAB C[C@@H](N)[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C 63192905 PZBLPJYGQKHBRK-KOLCDFICSA-N 314.227 2.130 0 40 DEAB CCOC(=O)C(=CNc1ccc2ocnc2c1)C(=O)OCC 4053216 CYASAEFZXSTBML-UHFFFAOYSA-N 304.302 2.250 0 40 DEAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@](O)(c2ccc(C)cc2)C1 408562814 DAIVQIFFQITYML-PKOBYXMFSA-N 324.380 2.482 0 40 DEAB Cc1nc(-c2ccccc2)nn1CCCN1CCC[C@H](O)C1 6072143 CQOFGODMYJOCEB-INIZCTEOSA-N 300.406 2.100 0 40 DEAB CC1CCN(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)CC1 5084750 JNUFNEBLLXTATO-UHFFFAOYSA-N 319.792 2.308 0 40 DEAB NS(=O)(=O)c1cnc(N[C@@H]2CCCc3ccccc32)s1 65493273 WMKYZPPNACQHRT-LLVKDONJSA-N 309.416 2.280 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)Nc1ccccc1F 5345310 KNAOEDUKWHWYMO-LLVKDONJSA-N 300.355 2.242 0 40 DEAB O=C(Cc1cccs1)OCc1cc(=O)n2ccsc2n1 5786399 CWCXWJZLNDVONM-UHFFFAOYSA-N 306.368 2.103 0 40 DEAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)NC(N)=O)c1 7057865 ZSNPDKFDDQPOFJ-NSHDSACASA-N 318.402 2.165 0 40 DEAB C[C@@H](C(=O)NCC1(c2ccccc2)CCCC1)N1CCOCC1 19892909 CIMNDLLQVWHXSU-INIZCTEOSA-N 316.445 2.335 0 40 DEAB C[C@H](CNC(=O)NCc1ccccn1)Oc1ccc(F)cc1 80616641 SKRFACWPGLPUTF-GFCCVEGCSA-N 303.337 2.487 0 40 DEAB C[C@H]1CN([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)C[C@@H](C)O1 25411170 WYWRSQFEKYSKCP-LVQVYYBASA-N 304.434 2.404 0 40 DEAB COc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)cn1 16699166 YUFYGXCNQNSEOJ-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB O=C1Cc2cc(C(=O)CSc3nnc4ccccn34)ccc2N1 8231630 KAUZBJYQGSLEJN-UHFFFAOYSA-N 324.365 2.199 0 40 DEAB Cc1nc(CN(C)[C@H]2CCCN(c3cccnn3)C2)oc1C 70006666 FJXKDUAGJGLCRE-AWEZNQCLSA-N 301.394 2.182 0 40 DEAB Cc1noc(C)c1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 71882737 WUABVPXXPUWELY-GFCCVEGCSA-N 323.418 2.322 0 40 DEAB C[C@@H](CNC(=O)c1ccn(-c2ccccc2Cl)n1)N(C)C 69415916 MRHLADMDLCFPTE-NSHDSACASA-N 306.797 2.206 0 40 DEAB CC(C)(CC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 71835265 BCOPFCWRKLXIOA-UHFFFAOYSA-N 324.428 2.493 0 40 DEAB CC(C)(C)c1n[nH]cc1CNC[C@H]1CCCN1c1cccnn1 71877231 QALBIVKBDWALDT-CQSZACIVSA-N 314.437 2.256 0 40 DEAB Cc1cc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)no1 69811801 KNSXSPQMMKBMIK-UHFFFAOYSA-N 320.418 2.096 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCOCC(F)(F)F 72268694 WORGLUQZWPHXGU-QWHCGFSZSA-N 322.371 2.431 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2cc(C)nn2CC)no1 72299634 NVTCYBCWDUZJKS-LLVKDONJSA-N 303.366 2.134 0 40 DEAB CONC(=O)NC[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 95447161 XMVQSWQSUBKVTH-GWCFXTLKSA-N 315.776 2.333 0 40 DEAB C[C@@H](NC(=O)NCc1ccn(C)c1)c1ccc(-n2ccnn2)cc1 95440295 SIEXZITZDQNYGY-CYBMUJFWSA-N 324.388 2.166 0 40 DEAB O=C(NC[C@@H]1CCOc2ccccc21)C(F)(F)C1(O)CCC1 95978644 QSSFEKYPWNWSPD-NSHDSACASA-N 311.328 2.219 0 40 DEAB C[C@H](NC[C@@H]1CCOC1)c1cc(F)ccc1N1CCN(C)CC1 95966293 IPCUIUVGQKRVHP-GJZGRUSLSA-N 321.440 2.265 0 40 DEAB Cc1ccc(O)c(CN(C)Cc2ccc3c(c2)OCCO3)n1 95982299 PCTXXXIOEYKKTG-UHFFFAOYSA-N 300.358 2.499 0 40 DEAB COc1ccccc1-c1cnc(CSc2n[nH]c(=O)n2C)o1 89125943 KDTBJSXKJOPDQJ-UHFFFAOYSA-N 318.358 2.064 0 40 DEAB Cc1cc(C(=O)Nc2ccnn2CC2CC2)c2cnn(C)c2n1 89583235 ILHLABVSQDAXPL-UHFFFAOYSA-N 310.361 2.136 0 40 DEAB CC[C@@](C)(NC(=O)CCCNC(=O)C1CC1)c1nc(C)cs1 75146321 OEIWAIBLUDTKBX-MRXNPFEDSA-N 323.462 2.499 0 40 DEAB Cn1ccc(C(=O)NC[C@H]2SCCc3ccccc32)cc1=O 89756655 UDXXEXYULQTUDS-OAHLLOKOSA-N 314.410 2.146 0 40 DEAB NC(=O)c1cccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)c1 36767852 RFUWHJLZNCGHLV-CQSZACIVSA-N 310.309 2.026 0 40 DEAB COc1ccc(N2CN(CCO)CN=C2c2ccccc2)cc1 38784188 NUZRWCSSZGEKRV-UHFFFAOYSA-N 311.385 2.171 0 40 DEAB CCc1nnc(SCC(=O)Nc2ccccc2C(=O)OC)o1 33530914 QJOYUTHAIXXEJU-UHFFFAOYSA-N 321.358 2.149 0 40 DEAB CCc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227709 BPIQIQZHNQQPPO-MSOLQXFVSA-N 324.380 2.435 0 40 DEAB Cc1ccc(N2CCC(C(=O)NC3CCN(C)CC3)CC2)cc1 219867381 RYZMAFVZWFSVIJ-UHFFFAOYSA-N 315.461 2.422 0 40 DEAB COCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1cccnc1 35170115 ILORLNGASIYICK-MRXNPFEDSA-N 324.340 2.256 0 40 DEAB Cc1nc(NC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)sc1C 72239555 MJPUDBZEPLVTBJ-LBPRGKRZSA-N 319.386 2.483 0 40 DEAB CCCCNC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972352 KTUZAJCQPYTNNW-UHFFFAOYSA-N 318.826 2.266 0 40 DEAB COc1ccc(-n2cnc(C(=O)NCc3cccnc3)c2)cc1 226753487 CDZADIUXHRJWGH-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CC(C)c1cc(N2CC[C@H](C)[C@@H](C(=O)O)C2)nc(N(C)C)n1 573445695 QRCGICCVGLFXQW-RYUDHWBXSA-N 306.410 2.213 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CC[C@H](Oc2ccccn2)C1 238905352 RUPKDHLIJKPRRV-HNNXBMFYSA-N 300.333 2.443 0 40 DEAB Cn1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 96491247 LOYJJAKPPAIRBT-KGLIPLIRSA-N 305.765 2.334 0 40 DEAB CCNc1nc(C(=O)NCC[C@@H](O)c2ccccc2)cs1 96481531 IDEJKSWNRSMJDC-CYBMUJFWSA-N 305.403 2.428 0 40 DEAB COCCN1CCCC12CCN(Cc1cccnc1OC)CC2 96227880 BLMUSDPEIGMOAH-UHFFFAOYSA-N 319.449 2.167 0 40 DEAB COC[C@@H](O)CNc1ccc2cc(Br)ccc2n1 96419434 KSVPDHUKFIICLG-NSHDSACASA-N 311.179 2.417 0 40 DEAB O=C(NCc1ccccc1)C(=O)NCc1cccc(Cl)c1 339536989 DBXNWSAIAIYZCC-UHFFFAOYSA-N 302.761 2.273 0 40 DEAB CC(C)c1nn(C)cc1CN(C)C(=O)[C@@H](N)c1ccccc1 97234203 FBNIOXUOMICGML-HNNXBMFYSA-N 300.406 2.202 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@H]3C2)o1 96245496 XCABEXJAPJJINF-BETUJISGSA-N 317.414 2.249 0 40 DEAB COCC[C@H]1CO[C@@]2(CCN(C(=O)c3cccc(O)c3)C2)C1 96072116 LZTCDMOAWXECDR-DYVFJYSZSA-N 305.374 2.050 0 40 DEAB CN(CCO)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 242750551 ZSHOWMOZMRPPRU-HZPDHXFCSA-N 306.406 2.148 0 40 DEAB CO[C@H]1CN(C(=O)/C=C/c2ccccc2)CC[C@@]12CCCO2 257263767 LRINXVBOQDRBRE-LFGVRAQPSA-N 301.386 2.496 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC(c2cnccn2)CC1 257230707 GDNNYHGYCRBZOP-UHFFFAOYSA-N 314.389 2.420 0 40 DEAB O=C(N[C@@H]1CCn2nccc2C1)c1ccc(-n2cccc2)cc1 253473142 RSNWGDIPDMPVKX-OAHLLOKOSA-N 306.369 2.419 0 40 DEAB O=C(CCF)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575406117 WAWAGGBDSFHSLJ-ZDUSSCGKSA-N 310.394 2.044 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cncc(-c2cnn(C)c2)c1 575609635 YHVFPBWCWWUGQB-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB O=C(NCc1ccc(F)cc1)c1nnc(CN2CCCC2)s1 26808166 QCCFYYZPVCZJIV-UHFFFAOYSA-N 320.393 2.203 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)COc1cccc(F)c1 58412727 FFVASOLULWLDLG-LBPRGKRZSA-N 320.412 2.491 0 40 DEAB O=C(NCC[S@](=O)c1ccccc1)c1cc(F)ccc1O 80027119 JBFBIKHJJXOHFW-OAQYLSRUSA-N 307.346 2.069 0 40 DEAB CCCCS(=O)(=O)N1CCC(c2nnc(C3CC3)o2)CC1 38670496 AQZPHKLAAZIRHR-UHFFFAOYSA-N 313.423 2.256 0 40 DEAB CCS(=O)(=O)CCN(C)Cc1cc(Cl)cc2c1OCC2 97084429 ISQKRGCZESQWHF-UHFFFAOYSA-N 317.838 2.141 0 40 DEAB Cc1ncc(-c2onc(C)c2C)c(CCNC(=O)[C@@H]2C[C@@H]2C)n1 12747382 OIVXCRAERZYFNE-TVQRCGJNSA-N 314.389 2.372 0 40 DEAB N=C1NC(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S1 16383913 ASKGJSXEKQFZIL-ZETCQYMHSA-N 318.185 2.488 0 40 DEAB CCN(CC)C(=O)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 19526250 PVHRYCSPHXSPFW-ZDUSSCGKSA-N 314.393 2.465 0 40 DEAB CCCNC(=O)[C@@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 19747946 GHXXGGPELBIOLE-CYBMUJFWSA-N 320.408 2.478 0 40 DEAB O=C(NCC1CCOCC1)c1ccnc(O[C@@H]2CCSC2)c1 225723932 UROBEGZVPUFOPZ-CQSZACIVSA-N 322.430 2.122 0 40 DEAB CN(Cc1ccsc1)C(=O)Cn1ncc2ccccc2c1=O 13000269 SXYMWDHQQBITDH-UHFFFAOYSA-N 313.382 2.117 0 40 DEAB COCCn1cnc2c(NCc3ccccc3F)ncnc21 1888906289 PXBUESAWEVKFIY-UHFFFAOYSA-N 301.325 2.224 0 40 DEAB Nc1nc(SCC(=O)NC2CCCC2)nc2sccc12 9609831 YXRJHOGBITZBCU-UHFFFAOYSA-N 308.432 2.424 0 40 DEAB CN1CCC(N(CCO)Cc2ccc(Cl)c(F)c2)CC1 155497044 QUEZFWGDLPMBNI-UHFFFAOYSA-N 300.805 2.368 0 40 DEAB COc1ccnc(N2CCN(c3cccc(Cl)c3)CC2)n1 15112141 WBNJUOBIMNGDNV-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB C[C@]1(C(=O)N2C[C@H]3C(=O)N(CC4CC4)CC[C@H]3C2)CC=CCC1 1565550494 ASHHWJHZRVCKIK-FCEWJHQRSA-N 316.445 2.450 0 40 DEAB COc1cccc(CNC(=O)c2c(O)c3ccccc3[nH]c2=O)c1 12414653 KIYTXQRUVLWDCN-UHFFFAOYSA-N 324.336 2.172 0 40 DEAB Cc1ccccc1C(=O)N[C@H]1CCc2onc(CN(C)C)c2C1 2055730130 CCWCBNFGKPXEBT-ZDUSSCGKSA-N 313.401 2.332 0 40 DEAB Cc1ncnc(C(=O)N2C[C@H]3CC[C@H]2[C@@H]3OCC2CC2)c1C 2055739003 GSJCPLFLFUCICT-IJEWVQPXSA-N 301.390 2.123 0 40 DEAB CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)N1C[C@H](C)O[C@H](C)C1 40032415 NFFMNMZMPRGMLO-IJEWVQPXSA-N 324.465 2.343 0 40 DEAB COc1cc(F)c(S(=O)(=O)N(C(C)C)C2CC2)cc1OC 30354742 ZXMZYNHMSIFTOL-UHFFFAOYSA-N 317.382 2.404 0 40 DEAB Cc1csc(CNC(=O)NC[C@H]2COc3ccccc3O2)n1 31029048 GFOGWKGNCQFYIP-NSHDSACASA-N 319.386 2.091 0 40 DEAB O=C(Nc1nnc(C(F)(F)F)[nH]1)[C@@H]1COc2ccccc2C1 40493747 MHGVIMXGJPBZOC-QMMMGPOBSA-N 312.251 2.013 0 40 DEAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cnccn1 40457471 MPJDYLOUPVGNPI-CYBMUJFWSA-N 313.357 2.169 0 40 DEAB O=C(NCCN1CCCCCC1=O)c1ccc2ncsc2c1 32310487 UGLCCTRKGFZCGT-UHFFFAOYSA-N 317.414 2.429 0 40 DEAB Cc1ccc(C)c(OCc2nnc(SCCC(N)=O)o2)c1 21444867 WMPGEHYPTAUJOK-UHFFFAOYSA-N 307.375 2.233 0 40 DEAB c1ccc(-c2cn3nc(NC[C@@H]4COCCO4)sc3n2)cc1 52490312 XUNZLBIVXQMVLN-GFCCVEGCSA-N 316.386 2.285 0 40 DEAB CC[C@@]1(C)NC(=O)N(NC(=O)c2oc3ccccc3c2C)C1=O 32997818 GCAXHSAOTRGFIO-MRXNPFEDSA-N 315.329 2.107 0 40 DEAB C[S@](=O)c1ccc(NC(=O)Cc2n[nH]c3ccccc23)cc1 76042318 LMDMPIHRCJZRIJ-JOCHJYFZSA-N 313.382 2.482 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)[C@H](NC(C)=O)C2CCCC2)C12CCC2 76022182 UQQHOIZTEGXUCJ-ARFHVFGLSA-N 322.449 2.145 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CCO1 76086137 XDHIYSROOAZEEZ-RDJZCZTQSA-N 320.433 2.291 0 40 DEAB Clc1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)nc1 77472521 VBBWMURBDKQQNR-UHFFFAOYSA-N 314.780 2.333 0 40 DEAB COC[C@H](O)CNc1ccnc2cc(Br)ccc12 78774597 VTQMKCFERUXGBD-SNVBAGLBSA-N 311.179 2.417 0 40 DEAB CCCn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 568733 UJRRJMLDRZOFJJ-UHFFFAOYSA-N 323.784 2.371 0 40 DEAB O=C(Nc1ccc(C(=O)Nc2ncccc2O)cc1)NC1CC1 41687548 GLXLHVCUHVQZHJ-UHFFFAOYSA-N 312.329 2.323 0 40 DEAB CCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 4553261 OUMRJXFPBFJDJI-UHFFFAOYSA-N 324.446 2.004 0 40 DEAB Oc1ccc(Br)c(C(=S)N2CCOCC2)c1 4942582 IWEFWHXZINCEET-UHFFFAOYSA-N 302.193 2.162 0 40 DEAB CCOC(=O)[C@H](C)n1nc(C)n2c(cc3sccc32)c1=O 6750308 WJHPGXMHIYIGEG-QMMMGPOBSA-N 305.359 2.143 0 40 DEAB CCC[C@@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 6945476 XCBXQSJMQKMLFU-CHWSQXEVSA-N 312.435 2.146 0 40 DEAB Cn1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cn1 107711937 TUDBNEXZGGSTBJ-MSOLQXFVSA-N 319.449 2.218 0 40 DEAB CC(C)CO[C@@H](C)C(=O)Nc1cccc(NS(C)(=O)=O)c1 42473153 SBAXNLWJTRDDRO-NSHDSACASA-N 314.407 2.058 0 40 DEAB O=C(Nc1cccc2cccnc12)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 100134148 RDUVQHCMRVEVJK-FQUUOJAGSA-N 312.325 2.052 0 40 DEAB in-vitro Cc1cccc(NC(=O)Cn2cccc(C(F)(F)F)c2=O)n1 25392122 MKIWHWQGIXCRIF-UHFFFAOYSA-N 311.263 2.209 0 40 DEAB c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cs1 71874767 NIWBQNXYCWYWLD-UHFFFAOYSA-N 317.414 2.190 0 40 DEAB O=C(N[C@@H]1CCCN(c2ccccc2)C1)N[C@@H]1CCC[C@H]1CO 108352702 IUNGUEJAGRQZOQ-ZMSDIMECSA-N 317.433 2.116 0 40 DEAB Nc1ccc2c(c1Br)=N[C@H](c1ccc(F)cc1)N=2 103533603 NVTZNFVIDKJART-CYBMUJFWSA-N 306.138 2.122 0 40 DEAB O=C(c1cn2ccccc2n1)N1CCCC[C@H]1Cn1cccn1 71865073 POFRLVIHOHVHJP-AWEZNQCLSA-N 309.373 2.226 0 40 DEAB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccc(C)o2)s1 24724768 FYHDEONPRPKNKB-UHFFFAOYSA-N 321.354 2.325 0 40 DEAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1cccnc1 44951382 XESWLOPENYDKKI-GFCCVEGCSA-N 313.357 2.413 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@@H](c2ccsc2)N(C)C)no1 44969375 CEFRJELRBSSUBS-AWEZNQCLSA-N 322.434 2.489 0 40 DEAB COc1cccc(-c2nnc3sc(-c4cnccn4)nn23)c1 10311734 CMYMAZNKYWLYCF-UHFFFAOYSA-N 310.342 2.318 0 40 DEAB COC(=O)c1oc(CN2CCC[C@H](N3CCCC3)C2)cc1C 58365253 PMYRTGMGQOVTMX-AWEZNQCLSA-N 306.406 2.435 0 40 DEAB C[C@@H]1CN(C(=O)CN2C(=O)c3cccc4cccc2c34)CCO1 11228320 IBBOWRKHOCQMIF-GFCCVEGCSA-N 310.353 2.047 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1c1ccsc1 45671262 VTFVQCRUWHEIDO-CHWSQXEVSA-N 307.419 2.263 0 40 DEAB Cc1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C)C2)cc1 45744792 VABUYVJEGUMGJL-OAHLLOKOSA-N 310.463 2.395 0 40 DEAB Cc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)n1 11659185 GLUJXTNHBRVETO-QMMMGPOBSA-N 320.374 2.004 0 40 DEAB CS(=O)(=O)CCSc1cc(Br)ccc1C=O 82612197 JZCHBQPIUYKMBZ-UHFFFAOYSA-N 323.233 2.398 0 40 DEAB in-vitro Cc1ccccc1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 3505491 NLKKBIKEOVULTQ-UHFFFAOYSA-N 315.373 2.188 0 40 DEAB O=C(/C=C/c1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 64031327 SQWZNIOSEXCWRZ-QZEKMECESA-N 314.429 2.413 0 40 DEAB O=C(O)c1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 111478468 ITJVTCBDEOXEEZ-ZDUSSCGKSA-N 324.336 2.376 0 40 DEAB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N1CCCC1 5352857 HCFPEFVXAJSQKB-LBPRGKRZSA-N 317.418 2.074 0 40 DEAB COC(=O)c1cc(OC(=O)c2ccccc2)cc(C(=O)OC)c1 6637767 KWFYBBIKSVSIHP-UHFFFAOYSA-N 314.293 2.479 0 40 DEAB CCCNC(=O)COCC(=O)Nc1cccc(C(F)(F)F)c1 9355365 NHNZBNQXUBEDKL-UHFFFAOYSA-N 318.295 2.187 0 40 DEAB CCOC(=O)C1=C(CSc2ccccn2)NC(=O)N[C@H]1CC 7699736 FNAGTZQJDDNQSO-JTQLQIEISA-N 321.402 2.082 0 40 DEAB CC(=O)Nc1cccc([C@H](C)NCC2CCS(=O)(=O)CC2)c1 90882526 SBDPJYGTGUIFFF-LBPRGKRZSA-N 324.446 2.120 0 40 DEAB CC(=O)c1cc2c(cc1NC(=O)Cc1c(C)noc1C)OCO2 7985140 UUASKIGBVQSSTD-UHFFFAOYSA-N 316.313 2.404 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 9420771 RKICJOIZJNKKNQ-BBRMVZONSA-N 311.366 2.290 0 40 DEAB Cc1cccc(OCCN(C)CC2CCN(CCO)CC2)c1 70036994 CEDSCMLNKYNXQF-UHFFFAOYSA-N 306.450 2.010 0 40 DEAB c1coc(-c2noc(CN3CCCC[C@@H]3C3OCCO3)n2)c1 69414126 NJEGWITVCUGART-LLVKDONJSA-N 305.334 2.057 0 40 DEAB Cc1cnc(S(=O)(=O)Cc2ccc(OC(F)F)cc2)nc1 91574663 WDFKUAQHQBPHER-UHFFFAOYSA-N 314.313 2.360 0 40 DEAB O=C(COc1ccccc1F)Nc1ccc2c(c1)CC(=O)N2 17177979 KLJRVNFBNVPSCK-UHFFFAOYSA-N 300.289 2.338 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1c1cnn(C)c1 71796646 HXHNDLLIOYYSRB-HZMBPMFUSA-N 302.378 2.492 0 40 DEAB CC(C)(O)CN1CCN(C(=O)CCc2cccc(Cl)c2)CC1 69807867 QLVRKNXCTWUFCO-UHFFFAOYSA-N 324.852 2.188 0 40 DEAB CCc1ccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)o1 69843866 QXHZLMSEZMCKNF-UHFFFAOYSA-N 324.340 2.379 0 40 DEAB O=C(Cc1ccccc1O)NCc1ccc(Cn2ccnc2)cc1 69977409 VRUXXGPJINILHK-UHFFFAOYSA-N 321.380 2.496 0 40 DEAB c1ccc(-c2noc(CN3CCCC[C@H]3Cn3cccn3)n2)nc1 69951216 VEJNEWDQUNDMBJ-AWEZNQCLSA-N 324.388 2.383 0 40 DEAB Fc1ccc(-n2cc(CSc3ncn[nH]3)nn2)cc1Cl 97083502 VNKQASWSUNTSDA-UHFFFAOYSA-N 310.745 2.470 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCOc1ccccc1Cl 97033438 GMPAUUZTFBWKCY-GXTWGEPZSA-N 317.838 2.274 0 40 DEAB COCCN1CC[C@H](NC(=O)N[C@H](C)CCc2ccccc2)C1 72290857 GSHSNTLKQWCKCA-WBVHZDCISA-N 319.449 2.028 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@@H](c3noc(C)n3)C2)ccn1 72287291 QLJGQAPUGYEQJH-CYBMUJFWSA-N 316.361 2.192 0 40 DEAB O=C(OCc1ccc2nn[nH]c2c1)c1ccc(N2CCCC2)nc1 97164137 WPZCYPINZGLLGV-UHFFFAOYSA-N 323.356 2.310 0 40 DEAB C[C@H]1CCc2c(sc(=O)n2Cc2nnc(C3CC3)n2C)C1 97114859 YDLPDPHCFIHCMG-VIFPVBQESA-N 304.419 2.089 0 40 DEAB C[C@@H](CNC(=O)c1ccnc(SC(C)(C)C)c1)[S@](C)=O 97233812 JGPUMJYHRCYLMQ-WVDJIFEKSA-N 314.476 2.469 0 40 DEAB O=S(=O)(C[C@@H](O)C(F)(F)F)[C@H]1CCc2c(F)cccc21 97378007 UZFSVNMELVNRDT-WDEREUQCSA-N 312.284 2.151 0 40 DEAB O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)Nc1ccn(-c2ccccc2C(F)(F)F)n1 97372537 HCJKGUQKOJRISQ-CQSZACIVSA-N 378.398 4.449 0 40 DEAB CN1C(=O)CCc2cc(C(=O)OCCCn3cccn3)ccc21 95443297 ILGICPXNRHOJKO-UHFFFAOYSA-N 313.357 2.039 0 40 DEAB O=C(c1occc1-c1ccccc1)N1CCC[C@H](c2nnn[nH]2)C1 95435103 JLHFVCUDZDOPJO-ZDUSSCGKSA-N 323.356 2.480 0 40 DEAB C[C@](CO)(NC(=O)NCCc1cccnc1)C1CCCCC1 88482112 OAHANKGDFALZNX-QGZVFWFLSA-N 305.422 2.255 0 40 DEAB CCS[C@@H]1CC[C@H](N(C)C(=O)CNC(=O)c2ccoc2)C1 95966666 LUNKQQFIKHWGAU-QWHCGFSZSA-N 310.419 2.142 0 40 DEAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(Cl)ccn3)[C@@H]2C1 95974332 PZKGILRMOSBZEH-BNOWGMLFSA-N 310.781 2.144 0 40 DEAB CC[C@@H]1CN(C(=O)NCCCCn2ccccc2=O)CCS1 74266490 ORXMXNLCTAUPQR-CQSZACIVSA-N 323.462 2.166 0 40 DEAB COC(=O)[C@@H]1CN(Cc2cc(-c3ccccc3)no2)C[C@@H](C)O1 89496932 JTOHXOYYQZBNFE-WBMJQRKESA-N 316.357 2.104 0 40 DEAB COCCN(Cc1ccc(C)o1)C(=O)[C@@H]1CCCc2[nH]ncc21 89656021 HDTJJGGXNPNGBV-CQSZACIVSA-N 317.389 2.406 0 40 DEAB CN1CCC(CN(C)C(=O)c2cnc([C@@H]3CCCO3)s2)CC1 89817354 GGEPVGQAAPQANA-ZDUSSCGKSA-N 323.462 2.408 0 40 DEAB COc1cccc(-c2noc(CN3C[C@@H](C)OC[C@H]3C)n2)c1 89930146 BOWBILLFMAUVDB-VXGBXAGGSA-N 303.362 2.354 0 40 DEAB CC[C@@H](N[C@H](C)c1ccc(OC)c(Br)c1)C(N)=O 75610831 QNEVQVOCYNOCPX-LDYMZIIASA-N 315.211 2.372 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCN(C(C)C)CC2)cc1Cl 36056765 XLEYWOQRNVSYRO-UHFFFAOYSA-N 316.854 2.363 0 40 DEAB COCC[C@@H]1COCCN1C(=O)c1sc(CC2CC2)nc1C 516223522 QJBQZCGEPHPSOV-CYBMUJFWSA-N 324.446 2.282 0 40 DEAB COc1ccc(OC)c2c1CN(C(=O)NC1CCCC1)C[C@H]2O 31023749 KBYRQJWUBGMOCR-CYBMUJFWSA-N 320.389 2.205 0 40 DEAB Cc1nccn1-c1cncc([C@H]2CCCN2C(=O)C2CCC2)n1 72378498 XGQGVHDKHKRJML-OAHLLOKOSA-N 311.389 2.434 0 40 DEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(O)cc2)C1=O 32109708 JPOOMPUKYLWKHM-YXYQAXARSA-N 321.354 2.380 0 40 DEAB CC(C)[C@H](N)C(=O)N1CC[C@@H](N(Cc2ccccc2)C2CC2)C1 79391081 MOVWGAXHOOSYJW-MSOLQXFVSA-N 315.461 2.235 0 40 DEAB Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccccc2C(=O)O)c1 565669547 FSWQQHZOEBVCND-QGZVFWFLSA-N 324.380 2.366 0 40 DEAB O=C1c2cnc(N3CCCCC3)nc2CN1C1CCSCC1 41123075 FESLJVWPBGUIST-UHFFFAOYSA-N 318.446 2.318 0 40 DEAB Cc1cc(Cl)ccc1C(=O)N1CCN(C[C@@H](C)O)C[C@H]1C 194027831 HXIRNOVNBUFSNG-CHWSQXEVSA-N 310.825 2.176 0 40 DEAB COC(=O)Cc1cccc(N[C@H]2CCCN(C(C)C)C2=O)c1 192511836 SZGIIZHEVMSPTB-HNNXBMFYSA-N 304.390 2.213 0 40 DEAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NCC2CC2)C1 96253039 RHKHFXKROVTLKT-FGTMMUONSA-N 314.429 2.111 0 40 DEAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)c4ccsc4)C[C@H]3O2)n1 96046208 KYGCXMYWIRKIQU-CYZMBNFOSA-N 318.402 2.167 0 40 DEAB CCc1nncn1CCN[C@H](C)CC(=O)Nc1ccccc1C 95423454 LGPWPRIPUWTALA-CQSZACIVSA-N 315.421 2.156 0 40 DEAB CN(C)c1cccc(C(=O)Nc2cnn([C@H]3CCOC3)c2)c1 96123143 CIJZBIWMDUPWTP-HNNXBMFYSA-N 300.362 2.163 0 40 DEAB O=C(NCc1nccc(N2CCCCC2)n1)c1cccs1 96120843 GMUGFMQSEHUSQF-UHFFFAOYSA-N 302.403 2.458 0 40 DEAB Cc1nc(-c2nn3c(-c4c(Cl)cnn4C)nnc3s2)co1 95480436 NMBHRAVIASWPQX-UHFFFAOYSA-N 321.753 2.203 0 40 DEAB Fc1cnccc1CNC[C@H]1COCc2nc3ccccc3n21 96112713 YHJRESJTABRTKA-ZDUSSCGKSA-N 312.348 2.432 0 40 DEAB biogenic,in-vitro COc1ccc2c(c1)OC[C@]1(CO)CN(c3nccs3)C[C@H]21 95527109 AXAYVZUYNJGSTA-CZUORRHYSA-N 318.398 2.127 0 40 DEAB COCCCNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192889 CKLSQIJTWCLQPH-HNNXBMFYSA-N 310.781 2.376 0 40 DEAB COC(=O)[C@@H]1CN(Cc2ncc(-c3ccccc3)o2)C[C@@H](C)O1 96470135 KHGPQCQEDPYSAA-DOMZBBRYSA-N 316.357 2.104 0 40 DEAB CC[C@@](C)(CO)NC(=O)[C@H](O)c1cc(Cl)cc(Cl)c1 97237956 ZOBJITYBTZCQGG-YPMHNXCESA-N 306.189 2.304 0 40 DEAB c1ncc(CN2CCN(Cc3ccc4c(c3)CCO4)CC2)s1 96489505 DMBSYNIYWTXMPN-UHFFFAOYSA-N 315.442 2.396 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cn4c(C)cccc4n3)C2)n1 257327205 XALWRYVROIHIMH-CYBMUJFWSA-N 309.373 2.304 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)n1 257272988 NEUWSJVDJVGCER-ZDUSSCGKSA-N 318.446 2.360 0 40 DEAB CC(C)[C@@H](Cn1nccn1)NC(=O)Cc1ccccc1Cl 253472783 PJEXETZBAXHILH-CQSZACIVSA-N 306.797 2.315 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)cc1 257256286 KKVHHUCLNKQVPB-ZDUSSCGKSA-N 313.357 2.211 0 40 DEAB Cc1cc(CN2C(=O)N[C@@](C)(c3ccc(F)c(F)c3)C2=O)on1 24509365 FWDDZMJZISSVLG-HNNXBMFYSA-N 321.283 2.228 0 40 DEAB Cc1nccc([C@@H]2CN(C(=O)Cc3cccc(F)c3)CCO2)n1 257262899 LNNSSLNCHSKQJN-INIZCTEOSA-N 315.348 2.067 0 40 DEAB CCc1ncnc(N[C@H](Cc2ccccc2)C(=O)N(C)C)c1F 271125828 TWHTUUAODQUHSC-CQSZACIVSA-N 316.380 2.290 0 40 DEAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)[C@@H]1CCCO1 27879177 UGPJUAUMMLIOHS-OCCSQVGLSA-N 315.373 2.178 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)OC3CCCC3)C2)n1 72283318 VBSRHPCGMBSALH-IUODEOHRSA-N 320.437 2.406 0 40 DEAB O=C(Nc1ccc(F)nc1)[C@H]1CCN(C(=O)c2ccccc2)C1 1517596085 YZXRGBAMPGRCOM-ZDUSSCGKSA-N 313.332 2.322 0 40 DEAB CCN(CC)c1ccc(C(=O)/N=c2/sccn2C)c(O)c1 53796114 NFDNGUXNVPOFDU-FOCLMDBBSA-N 305.403 2.380 0 40 DEAB CCN1CCC(N[C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 89977201 DYQDOENPORHUIU-LLVKDONJSA-N 311.376 2.366 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCCC[C@@H]1c1nc[nH]n1 96494454 WEIJTUCOWPFKAD-GFCCVEGCSA-N 314.324 2.188 0 40 DEAB O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Cl 13856456 AVFXHWZCJCTLBL-MELADBBJSA-N 321.808 2.068 0 40 DEAB CN(C)C(=O)CC1CCN(C(=O)CCc2ccc(F)cc2)CC1 19748381 DUCPWRNTXFKVFW-UHFFFAOYSA-N 320.408 2.475 0 40 DEAB Cc1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 19936360 YLGNSOXCNUBKOJ-UHFFFAOYSA-N 304.327 2.230 0 40 DEAB CCc1nnc(S/C(=C\c2cccc(OC)c2O)C(=O)O)[nH]1 7342575 BOSIXRDHQTZHAW-YFHOEESVSA-N 321.358 2.299 0 40 DEAB COc1ccc([C@H]2Cn3ccnc3CN2Cc2cncn2C)cc1 643914142 MELMIQUADYDLPW-QGZVFWFLSA-N 323.400 2.382 0 40 DEAB O=S1(=O)N=C(N2CCc3sccc3C2)c2ccccc21 10464022 ZQIXVKYVRRSRLI-UHFFFAOYSA-N 304.396 2.255 0 40 DEAB O[C@H]1CCCN(C[C@@H](O)COc2c(Cl)cccc2Cl)C1 6941034 YPHSGVJIEGYQJL-WDEREUQCSA-N 320.216 2.190 0 40 DEAB O=C(CSc1nnc(-c2cccnc2)o1)NC1CCCC1 6100406 DPXRBXITMKCZHP-UHFFFAOYSA-N 304.375 2.283 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccc2nsnc2c1)c1ccco1 38629933 OEZHYNHSPIVVLD-ZDUSSCGKSA-N 316.386 2.317 0 40 DEAB O=C(C1CCN(c2ccc(F)cn2)CC1)N1CCSCC1 2298183918 DYWJDPPXZGHGMY-UHFFFAOYSA-N 309.410 2.013 0 40 DEAB COc1ccc(/N=c2\sc(C(C)=O)c(C)n2CCO)cc1 9317447 YIMAJCIOSSWVRP-NXVVXOECSA-N 306.387 2.294 0 40 DEAB CC(C)(C)[C@@H](O)CCNS(=O)(=O)c1cc(F)ccc1F 75157798 KKSQVIYRAZNWSY-LBPRGKRZSA-N 307.362 2.040 0 40 DEAB O=C(NCc1cccs1)NC[C@H](O)COc1cccc(F)c1 40542298 DEWONJKTXHRCNN-LBPRGKRZSA-N 324.377 2.126 0 40 DEAB Cc1csc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 40510446 DIDMLLDRERMRON-LBPRGKRZSA-N 315.398 2.121 0 40 DEAB CN(C)C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccccc1 32781219 ZOZLGFNVPIUHFO-OAHLLOKOSA-N 312.369 2.448 0 40 DEAB Cc1cnc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2C)s1 32796466 BXSLRHOCMSDJHG-GFCCVEGCSA-N 318.402 2.498 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 21821904 JNMHSNVRRCTITL-UPJWGTAASA-N 304.390 2.325 0 40 DEAB COC(C)(C)C[C@@H](C)NC(=O)NCCc1cn2c(n1)CCCC2 76084761 GDWUVYLLUWHXQN-CYBMUJFWSA-N 322.453 2.265 0 40 DEAB CC(=O)N1CCCN(C(=O)Cc2coc3cc(C)ccc23)CC1 53355677 CNAVYWKCKOAFLI-UHFFFAOYSA-N 314.385 2.365 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCCN(C)c1ccccc1 7059311 ISZYZYJMEWTBBY-UHFFFAOYSA-N 323.418 2.096 0 40 DEAB Cc1cc([C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)no1 54057270 XSURSQBVFDNIKN-LBPRGKRZSA-N 306.753 2.472 0 40 DEAB COc1ccc(F)cc1C(=O)N1CCN(c2nccs2)CC1 23456473 XGQDBWCMQCVXAZ-UHFFFAOYSA-N 321.377 2.253 0 40 DEAB COCCOCCC(=O)N[C@@H]1CCOc2c(Cl)cccc21 58158231 KJBNQKUZZKSRPM-CYBMUJFWSA-N 313.781 2.333 0 40 DEAB COc1ccc(Cl)cc1/C=C/C(=O)NCC(=O)NC(C)(C)C 55045445 VYZFHBVHYQIZJL-VMPITWQZSA-N 324.808 2.393 0 40 DEAB Cc1nc(CNC(=O)NC[C@@H](c2ccco2)N(C)C)cs1 43137241 XKPOQWJALYMXHV-LBPRGKRZSA-N 308.407 2.147 0 40 DEAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H]2C=CS(=O)(=O)C2)cc1 1295407 ZEILNCIDAFKWQH-NSHDSACASA-N 319.304 2.201 0 40 DEAB C[C@H](O)CN1CCN(Cc2cc(F)cc3cccnc23)C[C@@H]1C 106840939 AECWMQUEOQLVCI-KBPBESRZSA-N 317.408 2.261 0 40 DEAB CN(C)CCN(Cc1cccs1)C(=O)[C@H]1C[C@H]2CC[C@H]1O2 107359934 LVYCVYICXRRRJU-VHDGCEQUSA-N 308.447 2.206 0 40 DEAB O=C(Cc1ccccc1F)NC[C@H](O)COc1cccc(F)c1 56671300 KSAFSTCZDGKOCG-AWEZNQCLSA-N 321.323 2.063 0 40 DEAB Cc1cccc(CNC(=O)Cn2cnc3ccccc3c2=O)c1 26017704 SJPFJBKADAFMIN-UHFFFAOYSA-N 307.353 2.021 0 40 DEAB Cc1ccc(-c2nc(CC(=O)NC3CCCCC3)no2)cn1 109435058 HGOQXCITEUODSC-UHFFFAOYSA-N 300.362 2.431 0 40 DEAB Cc1noc([C@@H](C)N2CCN(Cc3ccccc3F)CC2)n1 44584598 JALXBGNFUHPNPW-GFCCVEGCSA-N 304.369 2.396 0 40 DEAB CC1CCN(c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 57332300 BOKGWUKBSJDQQK-CYBMUJFWSA-N 302.374 2.360 0 40 DEAB C[C@H](NC(=O)[C@H]1CCOC1)[C@H](O)c1c(F)cccc1Cl 110660589 XEAZVXRYIHAEPP-RVBZMBCESA-N 301.745 2.054 0 40 DEAB CCN(CC)[C@@H](CNC(=O)[C@H](C)n1ccnc1)c1ccco1 58354802 HAWLLWSFXXOADU-KBPBESRZSA-N 304.394 2.236 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)o1 48260924 YFQFUWARWNEMLF-BZPMIXESSA-N 319.405 2.152 0 40 DEAB COc1ccc(C(=O)[C@H]2C(=N)C(=O)N[C@H]2c2ccccc2)cc1 106061279 KGFYAQRUYRJYJV-HOCLYGCPSA-N 308.337 2.385 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 45444946 PTNKZNCLQJIGEL-VBQJREDUSA-N 319.401 2.494 0 40 DEAB COc1ccc(CNC(=O)COC(=O)c2cccc(C)c2)cc1 3443170 CWPFLMKTDAOXJP-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB O=C(O)C1CCN(C(=O)c2cc(Cl)c3c(c2)OCO3)CC1 13167482 DPJMOHIUZKMKFD-UHFFFAOYSA-N 311.721 2.006 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1cccc(Cl)c1 71830127 AKPYPOZYYPNKKR-RYUDHWBXSA-N 324.808 2.221 0 40 DEAB COc1ccc2c(C)c(CC(=O)NC(C)C)c(=O)oc2c1OC 4090119 GJEXWJDCCMGTJT-UHFFFAOYSA-N 319.357 2.186 0 40 DEAB biogenic Cn1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)cn1 71796860 AJGKOSBMGJIRHO-MRXNPFEDSA-N 311.385 2.261 0 40 DEAB COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2O)cc1OC 13845115 LKQOIABWYRPHJU-KRWDZBQOSA-N 313.353 2.393 0 40 DEAB CC(C)n1cnnc1CNC(=O)c1nc(Cl)ccc1Cl 71847117 UMYJZDJCBSSMAB-UHFFFAOYSA-N 314.176 2.491 0 40 DEAB O=C1C(=O)N(Cc2nnc(-c3ccccc3)o2)c2ccccc21 4538975 NLOJOBNRTWYPNM-UHFFFAOYSA-N 305.293 2.466 0 40 DEAB COc1ccc(NC(=O)c2ccc(C)[nH]c2=O)c2cccnc12 65871176 VZVVIXRVUKZLIK-UHFFFAOYSA-N 309.325 2.492 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 5461650 XQCAPQCPJODDFO-ZIAGYGMSSA-N 317.341 2.469 0 40 DEAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(C)=O 6667993 FASHXEQLIRVPCG-UHFFFAOYSA-N 303.347 2.128 0 40 DEAB Cc1ccc(NC(=O)CCC(=O)N2CCC(C(=O)O)CC2)cc1 4775471 ODALEVXJOQGMRL-UHFFFAOYSA-N 318.373 2.037 0 40 DEAB CC[C@@H]1C(=O)NCCN1Cc1c[nH]nc1-c1c(F)cccc1F 93049869 AOVUSRUNIRUDPN-CYBMUJFWSA-N 320.343 2.065 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)NCc3cccnc3)CC2=O)cc1 6831142 NSHLSIJARVTRSP-KRWDZBQOSA-N 323.396 2.055 0 40 DEAB COC(=O)c1cccc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)n1 67106521 ZUYRSEUBFAQGCI-SWLSCSKDSA-N 314.316 2.293 0 40 DEAB CC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2 7078723 KNTJHYYKGVNXMP-SSDOTTSWSA-N 300.152 2.417 0 40 DEAB CC(C)C(=O)O[C@@H](C)C(=O)N1c2ccccc2NC(=O)C1(C)C 15645717 MYGPCJBTJIWWFF-NSHDSACASA-N 318.373 2.338 0 40 DEAB COC(=O)[C@@H](C)NC(=O)Nc1ccc(OC(F)(F)F)cc1 15999048 QDQYOUOERAPIBE-SSDOTTSWSA-N 306.240 2.268 0 40 DEAB CC(C)C(=O)N1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000877 BFOKWOZTTIXOJX-ZDUSSCGKSA-N 301.346 2.293 0 40 DEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1Cl 7978115 BHNHYRQUIMXLAZ-UHFFFAOYSA-N 321.764 2.143 0 40 DEAB Clc1ccc2c(c1)C=C(CN[C@@H]1CCc3ncnn3C1)CO2 69491704 RSJICKATCZJSKS-CQSZACIVSA-N 316.792 2.312 0 40 DEAB CNC(=O)c1ccc(NC(=O)c2ccc(NC(C)=O)cc2)cc1 8424211 SAMZIOIPZAMZOY-UHFFFAOYSA-N 311.341 2.257 0 40 DEAB Cc1cnn(CC(=O)Nc2c(-c3ccc(F)cc3)ncn2C)c1 69527971 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O[C@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)c(F)c1 69848158 HOSLHWVYLLVHRN-BLLLJJGKSA-N 322.359 2.002 0 40 DEAB Cc1ccc(OC[C@H](O)CN2CCC(c3ccn[nH]3)CC2)cc1 65595139 ZJFAGYDJXSFFSU-MRXNPFEDSA-N 315.417 2.337 0 40 DEAB Cc1ccc(OC[C@H](C)NC(=O)CCCNC(=O)C2CC2)cc1 65591030 NZAAQCXCACFNMT-AWEZNQCLSA-N 318.417 2.185 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 65795259 CGQVTXISJMMNSI-UONOGXRCSA-N 323.393 2.010 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCC[C@@H]1Cn1cccn1 69948485 GHIGXKGNBMXXGC-GFCCVEGCSA-N 313.336 2.203 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)Cc1ccc(OC)c(OC)c1 66137425 UKLDKVUZNURSCG-ZDUSSCGKSA-N 308.422 2.093 0 40 DEAB CC(=O)c1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 7717765 IAJWLUZLNGQKPO-UHFFFAOYSA-N 321.336 2.238 0 40 DEAB CCN1CCN([C@@H](C)CNc2c(F)c(F)nc(F)c2F)CC1 80931700 BTKOSPRINMWIQO-VIFPVBQESA-N 320.334 2.076 0 40 DEAB CCOc1cccc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CC)C2)c1 68748253 JXMBMFHMXKZYQF-TZMCWYRMSA-N 304.390 2.131 0 40 DEAB CCc1nnc2n1N=C(c1ccccc1)[C@H](CC(=O)O)S2 8394145 GITHDKQCEGKDFL-JTQLQIEISA-N 302.359 2.042 0 40 DEAB COCCOCC(=O)N(Cc1ccccc1)CC(F)(F)F 69418895 VZSZQBOOPYLHTB-UHFFFAOYSA-N 305.296 2.241 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)Cc2cn3ccsc3n2)cn1 71799272 PRQNENUPKBNGFL-CYBMUJFWSA-N 315.402 2.036 0 40 DEAB COCCC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408188 JHKSVXWGJPSVPH-NSHDSACASA-N 314.332 2.019 0 40 DEAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)NC)cc1 9500246 HIOPLDLMHVZUHM-UHFFFAOYSA-N 306.391 2.142 0 40 DEAB CC(C)(C)c1noc(CN2CCCC[C@H]2Cn2cncn2)n1 71876326 BDFOMVLROOWXRG-LBPRGKRZSA-N 304.398 2.013 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)N[C@H](C)c1cc(C)cc(C)c1 71885796 DXRZTFRYBZGUGE-TZMCWYRMSA-N 323.462 2.271 0 40 DEAB NC(=O)c1cnc(NC[C@H](O)c2cccc(F)c2)c(Cl)c1 71832797 ZGCIJSOIXSBCAU-LBPRGKRZSA-N 309.728 2.119 0 40 DEAB Cc1cc(NC(=O)CN2CCCC[C@@H](NC(=O)C(C)(C)C)C2)n(C)n1 97373587 GJASMSFGOFTNLG-ZDUSSCGKSA-N 349.479 1.684 0 40 DEAB O=C(Nc1ccccc1OCC(F)F)N[C@@H]1C=C[C@H](CO)C1 84506048 YJTBEOQHVAMJPL-WDEREUQCSA-N 312.316 2.389 0 40 DEAB CCCCS(=O)(=O)N(C)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 84746726 BWBNGCAYHRSVPM-DOTOQJQBSA-N 321.442 2.479 0 40 DEAB CCc1csc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 72282224 ZBUZVTWORMYOBW-GFCCVEGCSA-N 321.446 2.034 0 40 DEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/C1CCCCC1 72287262 QEFUBXYQHUUKQH-PCUGXKRQSA-N 300.402 2.336 0 40 DEAB NC(=O)[C@@H]1CCCC[C@H]1NC1CCN(CCC(F)(F)F)CC1 97113857 SVDNISYCDASOAL-CHWSQXEVSA-N 321.387 2.037 0 40 DEAB Cn1nc(C2CCC2)cc1NC(=O)NCCCn1cccn1 95418849 AVIJCBZXASREGU-UHFFFAOYSA-N 302.382 2.096 0 40 DEAB COc1c(NC(=O)N(C)CCOc2ccccc2)c(C)nn1C 95460694 WNTWZEFWBTVJTN-UHFFFAOYSA-N 318.377 2.280 0 40 DEAB O=C(N[C@H]1CCN(c2ccccn2)C1)c1ccc2nccnc2c1 95435363 RACFZLOWQQWJOT-AWEZNQCLSA-N 319.368 2.034 0 40 DEAB CC(C)(C)c1ncc(NC(=O)N2CC[S@@](=O)C(C)(C)C2)cn1 95418118 LEGJQUIEXFGLCJ-QFIPXVFZSA-N 324.450 2.149 0 40 DEAB Cc1noc(C)c1CN1CC[C@@H](NC(=O)c2cccs2)C1 98211969 IVLDLYOYIHTWPZ-GFCCVEGCSA-N 305.403 2.357 0 40 DEAB CN1CCN(C2CCN(CCCc3ccccc3)CC2)C1=O 75604093 ACEDEGYBOBQOKY-UHFFFAOYSA-N 301.434 2.451 0 40 DEAB O=C(CCc1ccc(F)cc1F)Nc1c[nH]nc1[C@H]1CCNC1 1549736475 NFCKEWLZALKNHT-NSHDSACASA-N 320.343 2.336 0 40 DEAB C[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)CCCc2ccccc21 33249766 KXENIISZQYWXRG-UKRRQHHQSA-N 316.401 2.040 0 40 DEAB COC(=O)[C@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 69615410 PRIYEOKDZXZAJH-MRXNPFEDSA-N 311.337 2.196 0 40 DEAB CN(C)S(=O)(=O)c1ccc(-c2nc(-c3ccccc3)no2)o1 36353679 XNHLQFAHXYROHJ-UHFFFAOYSA-N 319.342 2.247 0 40 DEAB Cc1cc(C)n(CCC(=O)NC[C@H]2CCCN3CCCC[C@H]23)n1 504269210 HSTGXFJSNGQSBN-IAGOWNOFSA-N 318.465 2.271 0 40 DEAB biogenic COc1ccc(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1OC 37190220 JLDPFWXGGBRSDY-UPJWGTAASA-N 322.405 2.140 0 40 DEAB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1cnsn1 189505938 OXVAJPASDBWNLU-HNNXBMFYSA-N 305.403 2.342 0 40 DEAB CC(=O)N1CCN(C(C)C)C[C@H]1c1cccc(C(=O)N(C)C)c1 72367735 AUDNEWOOILYLRS-KRWDZBQOSA-N 317.433 2.002 0 40 DEAB CC(=O)[C@H](N1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F 31853808 DHLHAGWYSZZVEA-QMMMGPOBSA-N 307.234 2.286 0 40 DEAB Nc1cc2nn(-c3ccc4c(c3)OCCO4)nc2cc1Cl 216870878 FHBYPOOQXVPMDE-UHFFFAOYSA-N 302.721 2.427 0 40 DEAB CC(C)N(CCN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391830 CWOWARLGPRVPDG-QGZVFWFLSA-N 319.449 2.457 0 40 DEAB Cc1cc(C)nc(N2CCC[C@H](c3nn(C)c4nccnc34)C2)n1 72369159 FXCSVMZGWXXCEI-ZDUSSCGKSA-N 323.404 2.154 0 40 DEAB c1cncc(CN2CCC[C@@H]2c2cncc(-n3ccnc3)n2)c1 72378634 ZDZRIIBZNBPGBL-MRXNPFEDSA-N 306.373 2.394 0 40 DEAB CC[C@H](N[C@H]1CCCN(c2cccc(OC)c2)C1)C(=O)OC 192850098 DWVQGCFDGIDKQM-BBRMVZONSA-N 306.406 2.205 0 40 DEAB Cc1ccc(C)c(OCC(=O)Nc2nn3c(C)nnc3s2)c1 41076413 DSGQSQULOGFUJT-UHFFFAOYSA-N 317.374 2.129 0 40 DEAB O=C(NCc1ccco1)N1CCC([C@@H](O)C(F)(F)F)CC1 96476321 QLPRVLAFDVNXGW-LLVKDONJSA-N 306.284 2.124 0 40 DEAB CCCS(=O)(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 96417498 CNLADKWCCZILLS-LLVKDONJSA-N 312.218 2.356 0 40 DEAB COC[C@H]1C(=O)NCC12CCN(Cc1cccc(Cl)c1)CC2 96208342 SKZDXPPRXBWRQQ-HNNXBMFYSA-N 322.836 2.315 0 40 DEAB NC(=O)c1cc(Cl)nnc1N[C@@H]1CSc2ccccc21 96446541 OVTPWKWNNXOZBK-SECBINFHSA-N 306.778 2.488 0 40 DEAB C[C@@H]1CCO[C@@H]1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 96487345 BFRVZTWXLDRXBP-ABAIWWIYSA-N 303.337 2.053 0 40 DEAB Cc1ccc(CCNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 96421560 ODJVYKZZDUHVJO-ZNMIVQPWSA-N 303.406 2.045 0 40 DEAB O=C(c1ccoc1)N1CCc2ncnc(-c3cccnc3)c2CC1 96187606 ZHOZKLPYKJONAD-UHFFFAOYSA-N 320.352 2.373 0 40 DEAB CC(C)N(C)C(=O)C1=NO[C@]2(CCN(c3cccc(F)c3)C2)C1 96074498 DJYMNYMOVMYLBX-QGZVFWFLSA-N 319.380 2.418 0 40 DEAB CC(=O)N1CC(NC(=O)c2ccc(Oc3ccccc3)o2)C1 96451353 VMXRHGMULRTSKE-UHFFFAOYSA-N 300.314 2.032 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CC[C@@H](Oc3ccccc3)[C@@H]2O)on1 257246689 IVIVADHFFGCGAQ-IIAWOOMASA-N 316.357 2.026 0 40 DEAB CO[C@@H]1CCCOC12CCN(C(=O)Cc1c(C)noc1C)CC2 257332863 XZBLIOZTAMDNCV-OAHLLOKOSA-N 322.405 2.021 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCc2ccc(F)cc2)n1 257313278 URQHOQHZASBPGB-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)no1 96103801 KUJIESAJUJCLDX-UHFFFAOYSA-N 302.359 2.338 0 40 DEAB Cc1cccc2[nH]c(C(=O)N3CC[C@@]4(CCCO4)C(=O)C3)cc12 585288550 DMBUBURDTZDLBE-SFHVURJKSA-N 312.369 2.441 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)n2cccn2)c1 28482230 HFQSPFFMUJDTFI-NEPJUHHUSA-N 303.362 2.339 0 40 DEAB COC[C@H](C)NC(=O)NCc1ccc(N2CCCCCC2)nc1 59036296 FTTCGAOSFAOHGY-AWEZNQCLSA-N 320.437 2.296 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)NC[C@@H](C)c2ccccc2)C1 95949770 WXRYXEOLUSXCMT-CJNGLKHVSA-N 303.406 2.100 0 40 DEAB CC(C)(C)OC(=O)C(=O)[C@H](OC(C)(C)C)C(=O)OC(C)(C)C 5434533 UIMIBTRJWNXENI-NSHDSACASA-N 316.394 2.423 0 40 DEAB CCN(CC)C(=O)CN1CCC(c2ccc3c(c2)OCO3)CC1 12113974 PGAWKOGVMIIEEJ-UHFFFAOYSA-N 318.417 2.463 0 40 DEAB CCc1nn(CC[C@H](C)O)c(=O)c2cc3sc(C)cc3n12 19523669 WWYFODSWNDZJJH-VIFPVBQESA-N 305.403 2.352 0 40 DEAB Cn1cc(CN2CCC[C@](C)(C(=O)NC3CCCC3)C2)cn1 19746649 TVGSFGVRLDSYPV-KRWDZBQOSA-N 304.438 2.081 0 40 DEAB CC(C)(C)NC[C@@H](O)COc1ccccc1OC[C@H]1CCCO1 1846354 AKLNLVOZXMQGSI-HUUCEWRRSA-N 323.433 2.372 0 40 DEAB in-man COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OC)C1=O 4472319 HRDSDCNTMPDHHZ-KWINOFQJSA-N 321.354 2.293 0 40 DEAB O=C(NCCn1nccn1)C1c2ccccc2Oc2ccccc21 238920264 SYQOWKDBZBDBTA-UHFFFAOYSA-N 320.352 2.332 0 40 DEAB CN(C)CCN1CCCC12CCN(C(=O)c1cccs1)CC2 1565548566 FGQGKXSNPXNXHS-UHFFFAOYSA-N 321.490 2.380 0 40 DEAB Cc1ccc(CN2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)cc1 4483579 KPYRKUGYFUPUSX-CVEARBPZSA-N 320.352 2.488 0 40 DEAB CN(C)c1ccnc(N2CCC(Oc3nccs3)CC2)n1 2086882960 GGDXSGMPMWKGJX-UHFFFAOYSA-N 305.407 2.047 0 40 DEAB Cn1c(SCC(N)=O)nnc1-c1ccc(Cl)cc1Cl 312968 OIJSPDIHLHNSEC-UHFFFAOYSA-N 317.201 2.366 0 40 DEAB O=C1CN(C(=O)c2cccc3c4c([nH]c23)CCCCC4)CCN1 30576923 IWUIPVNETJPCFR-UHFFFAOYSA-N 311.385 2.009 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN(C(=S)NC2CCCCC2)C1 50253268 NPMWWNDBRFILGA-LBPRGKRZSA-N 309.479 2.184 0 40 DEAB Cc1noc(C)c1CCC(=O)NC[C@@H]1COc2ccccc2O1 31241865 RCAAUVAMOOONIC-CYBMUJFWSA-N 316.357 2.180 0 40 DEAB CC(=O)N[C@H](C(=O)N(C)CCCOc1ccccc1)C(C)C 31365665 FZKMDGCEWJMKJV-INIZCTEOSA-N 306.406 2.075 0 40 DEAB O=C(O)CSCC(=O)Nc1ccc(Br)cc1 100867 MAXBNKFFWOAWDR-UHFFFAOYSA-N 304.165 2.205 0 40 DEAB CCOc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)n[nH]2)cc1 51315882 FRDFATMLFFHJBP-CQSZACIVSA-N 315.373 2.384 0 40 DEAB CCCOc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101347890 IDDIOWKNJKGNAP-LBPRGKRZSA-N 300.318 2.050 0 40 DEAB CC1(C)C[C@]2(CCO1)OC(=O)C[C@H]2C(=O)NCc1ccccc1 488893 WKYZUPXREABRLY-KSSFIOAISA-N 317.385 2.194 0 40 DEAB biogenic Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2Cl)n1 18085759 SPGUKXQFJMBIES-UHFFFAOYSA-N 309.778 2.463 0 40 DEAB COc1ccc2c(ccn2CC(=O)NCCc2ccccn2)c1 46740353 ITRSRHWMFMXDPQ-UHFFFAOYSA-N 309.369 2.404 0 40 DEAB COc1cccc(NC(=O)c2cnc3sc(C)cn3c2=O)c1 4517270 JDOINKNPIFJEAE-UHFFFAOYSA-N 315.354 2.325 0 40 DEAB O=C(Cn1nc(C(F)F)cc1C(F)F)NN1CCCCC1 2782792 WCWRQFTWVDMHRL-UHFFFAOYSA-N 308.279 2.275 0 40 DEAB NC(=O)c1cnc(NC[C@H]2COc3ccccc3O2)c(Cl)c1 54042148 AOCVNBNUBBVSPW-JTQLQIEISA-N 319.748 2.086 0 40 DEAB CC(C)=CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 12391991 NTFARPDSOOKBGL-UHFFFAOYSA-N 311.385 2.419 0 40 DEAB Cc1cccc(C(=O)N2CCCN(Cc3cscn3)CC2)n1 69819864 XROOEENLSCZBSV-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cnn(C)c1 100141035 ZNSCYIHSRZYBSV-ZFWWWQNUSA-N 308.389 2.033 0 40 DEAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 100700791 KYKOAOQGKSCMNK-KBPBESRZSA-N 309.369 2.500 0 40 DEAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1cccc(CO)c1 24750871 SLKBTMZMVVTLFX-GFCCVEGCSA-N 313.357 2.328 0 40 DEAB C/C=C/c1ccc(OC[C@H](O)CN[C@@H](C)COC)c(OC)c1 9363893 VQZCIAAAAFEKKS-XPKDBEDXSA-N 309.406 2.093 0 40 DEAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCCC1 100467027 HPNHNBIPYBQKSL-TXPKVOOTSA-N 321.509 2.393 0 40 DEAB COC(=O)c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)cc1 24998192 SNKIPNYLTUZFMB-JTQLQIEISA-N 301.346 2.006 0 40 DEAB COC[C@@H](C)NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 106634036 LMQRKTAJOXFFIZ-MCIONIFRSA-N 321.421 2.457 0 40 DEAB Cc1ccc([C@H](NC(=O)CN2CCC[C@H]2CO)C2CC2)cc1 106772598 CGFNHDFTCVICJA-WMZOPIPTSA-N 302.418 2.019 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25332180 RTTYDWMTTCFTBG-NSHDSACASA-N 310.448 2.195 0 40 DEAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C1 3237343 ZLHRTCYTYUCXFP-ZDUSSCGKSA-N 304.390 2.168 0 40 DEAB COc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)ccc1C 58299076 YHSWNMXYXDQIQO-LBPRGKRZSA-N 316.357 2.031 0 40 DEAB O=C(/C=C/c1c(F)cccc1F)NCCCCN1CCOCC1 58406890 YGHODUPAKCFCHD-VOTSOKGWSA-N 324.371 2.207 0 40 DEAB COc1ccc2nc(C)c(C(=O)NC[C@H]3CCCO3)cc2c1 27396848 HJYBEWCLFKVJHP-CQSZACIVSA-N 300.358 2.461 0 40 DEAB CN(C)S(=O)(=O)N[C@@H]1CCCc2cc(OC(F)F)ccc21 58511709 ANOCZFPIYDQUIQ-GFCCVEGCSA-N 320.361 2.061 0 40 DEAB O=C(/C=C/c1ccco1)NCC(=O)N1CCc2sccc2C1 36394148 HMJGSPWLGGHKSB-ONEGZZNKSA-N 316.382 2.055 0 40 DEAB NC(=O)[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 29658434 UIYJWFMFSWBCJO-SJORKVTESA-N 314.360 2.426 0 40 DEAB COc1ccc(CN(C)C(=O)c2cccnc2O)c(OC)c1 12909311 LUPDNECZBBOPTE-UHFFFAOYSA-N 302.330 2.077 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1cc(F)ccc1F)CS2 12942923 MCLJQKKWDAFDNI-SMDDNHRTSA-N 312.341 2.357 0 40 DEAB C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1ccncc1 28234827 NAJKXZSAUYUBGM-VIFPVBQESA-N 309.167 2.315 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccncc2)c(OC)c1 8704018 APMGWPVMVSWBBM-LLVKDONJSA-N 322.386 2.138 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1Cc1cccc2cccnc12 63363545 ZVYVOMJOBMQXDF-UHFFFAOYSA-N 303.321 2.286 0 40 DEAB CC(C)[C@H](Sc1ncnc2ccsc12)C(=O)NC(N)=O 22004791 ZSXFQYYNRLBGQI-QMMMGPOBSA-N 310.404 2.003 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N2CCN(C)c3ccccc3C2)on1 65513137 DDFKJHOQEURYPV-ZDUSSCGKSA-N 314.389 2.262 0 40 DEAB CN(C)c1nc(N)nc(COc2ccc(Cl)cc2Cl)n1 14141630 CANWTAXNPPGITI-UHFFFAOYSA-N 314.176 2.406 0 40 DEAB Cc1ccc([C@@H](CNC(=O)NCc2cccnc2)N(C)C)cc1 65625846 NLMNRQLFHIRNFQ-QGZVFWFLSA-N 312.417 2.492 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2CCC2)c1C 6639551 ZKGXWXWWYFKRHQ-JTQLQIEISA-N 307.346 2.333 0 40 DEAB CC(=O)NC(C)(C)c1noc([C@@H](C)Cc2c(C)nn(C)c2C)n1 174850487 LKFIUAGCEYGNKQ-VIFPVBQESA-N 319.409 2.137 0 40 DEAB O=C(C[C@H](c1ccccc1)c1cccc(O)c1)N1CCNCC1 5947628 MNQZIWMRVSWHEN-GOSISDBHSA-N 310.397 2.346 0 40 DEAB CCOc1cccc(CS(=O)(=O)Cc2ncc(C)s2)n1 96009578 VWENOZFJNWQIJQ-UHFFFAOYSA-N 312.416 2.360 0 40 DEAB NC(=O)c1ccc(COC(=O)c2ccc(-n3cccn3)cc2)cc1 16547352 WOIMFSXURQWAJN-UHFFFAOYSA-N 321.336 2.328 0 40 DEAB COc1ccc(-n2c(=O)c3c(c4c(N)ncnc42)CCCC3)cc1 9423515 JSVUFYXIBQVYFD-UHFFFAOYSA-N 322.368 2.250 0 40 DEAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC2=NCCN2)C1 69350435 CMIOSHLADUKYCN-GJZGRUSLSA-N 300.450 2.213 0 40 DEAB COC(=O)c1c(CC(=O)N2CCCC[C@H]2C)[nH]c(C(C)=O)c1C 8324353 RYFJANYXYFDAHN-SNVBAGLBSA-N 320.389 2.256 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)CCNC(=O)OCC(F)(F)F 69531419 MLQGGSARFAXCHM-AOOOYVTPSA-N 310.316 2.455 0 40 DEAB CCc1c(C(=O)OC[C@@H]2C[C@H]2C)cnn1-c1ccc(OC)nn1 83817581 ZWXDIKRCPLYYSM-MNOVXSKESA-N 316.361 2.046 0 40 DEAB CC[C@@H]1CN([C@H](C(=O)NC(=O)NC)c2ccccc2)CCS1 72304998 GEJGQPBEXHGEFP-KGLIPLIRSA-N 321.446 2.011 0 40 DEAB Cc1oc(CN(C)C(=O)c2cccc3cn[nH]c23)cc1C(=O)O 97228652 NHDFACQOJLTWQB-UHFFFAOYSA-N 313.313 2.435 0 40 DEAB CO[C@@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cnnn2)c(C)c1 84101557 RRSYZCSYFIATEB-HUUCEWRRSA-N 316.361 2.085 0 40 DEAB COCCCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 97086630 IXGCTPBYPUBAQS-HNNXBMFYSA-N 324.808 2.156 0 40 DEAB Cc1occc1-c1nnc(SC[C@H](O)C(F)(F)F)n1C 97378028 HAIJRACJPQTUKH-QMMMGPOBSA-N 307.297 2.399 0 40 DEAB O=C(Cc1cccc(O)c1)N1CCCN(c2ccccn2)CC1 97376838 LMGISGVNACEUAM-UHFFFAOYSA-N 311.385 2.069 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)c2ccc(C)o2)cc1 97164202 GJXRGKFFAWRISE-GFCCVEGCSA-N 321.398 2.489 0 40 DEAB Cc1cscc1C(=O)N[C@H]1CCN(C(=O)c2ccccn2)C1 95429898 TYNYHRZCMFTCQF-LBPRGKRZSA-N 315.398 2.096 0 40 DEAB C[C@@H](C(=O)NCC(F)(F)F)N1CCc2ccccc2CC1 95430697 ZYVHFVATJVPXGK-NSHDSACASA-N 300.324 2.154 0 40 DEAB C/C(=C\c1ccc(F)cc1)C(=O)N(C)CCC(=O)NC1CC1 95407954 SLGDUUGJUVDWSO-VAWYXSNFSA-N 304.365 2.356 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC[C@@H]2Cc3ccccc32)nc1 95459728 GAUSKZCNNBYPBR-ZDUSSCGKSA-N 317.414 2.084 0 40 DEAB CN(CCc1ccccn1)CCS(=O)(=O)c1ccccc1 89346480 IIPYWQXLHQEGBV-UHFFFAOYSA-N 304.415 2.030 0 40 DEAB CCn1nc(C)c(NC(=O)N[C@H](CO)Cc2ccccc2)c1C 89475354 YLWXDTVLHNJSJN-HNNXBMFYSA-N 316.405 2.245 0 40 DEAB O=C(CN(Cc1ccco1)C1CCCC1)N[C@@H]1CCSC1=O 89797656 QQPTYVUZAHOPPQ-CQSZACIVSA-N 322.430 2.173 0 40 DEAB O=C(NC[C@@H](O)C(F)(F)F)[C@H]1SCCc2sccc21 89885373 RFOLRMNBZRCSBO-BDAKNGLRSA-N 311.350 2.118 0 40 DEAB CCCn1cc(C(=O)NC2CN(C(=O)OC)C2)c2ccccc21 89960705 MPHIJOYYDHDORP-UHFFFAOYSA-N 315.373 2.232 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1ccn(-c2ccccc2Cl)n1 89938727 RRNMMLXUMMABFK-LBPRGKRZSA-N 318.808 2.302 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)Cc1nc2ccccc2c(=O)[nH]1 23702378 QLCAPXWJBRJNOQ-UHFFFAOYSA-N 323.352 2.284 0 40 DEAB c1cc(-c2ccc(-c3noc(CN4CCOCC4)n3)cc2)ncn1 72340131 LDQYDFRGEMZGQL-UHFFFAOYSA-N 323.356 2.026 0 40 DEAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CNCCO2)n1 72343421 QEZPEFNCEJAPKX-AWEZNQCLSA-N 302.353 2.010 0 40 DEAB COc1cc(NC(=O)COc2ccc(Cl)c(C)c2)ncn1 75166445 WCFWKWGTOHIDGR-UHFFFAOYSA-N 307.737 2.465 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(CCN)C1 79411647 RHNSUHOFTXNWHO-INIZCTEOSA-N 305.422 2.067 0 40 DEAB C[C@@H](CN(C)C(=O)c1csc(Br)c1)C(=O)O 42695160 FPQUWJIZVNEQRD-LURJTMIESA-N 306.181 2.303 0 40 DEAB CCN(CC)c1ncc(S(=O)(=O)c2cccc(C)c2)c(N)n1 71772114 GBRFATAXEXXHKF-UHFFFAOYSA-N 320.418 2.046 0 40 DEAB c1ccc(COC[C@H]2CNCCN(Cc3ccncc3)C2)cc1 72354443 NQTQHLVTSYGPRN-IBGZPJMESA-N 311.429 2.320 0 40 DEAB CCn1cc(NC(=O)[C@@]2(C)Sc3ccccc3NC2=O)cn1 40774243 WFFCSOXTIMZWSN-OAHLLOKOSA-N 316.386 2.345 0 40 DEAB Cc1ncc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cn1 82314819 KGBPKMYGBFSHQD-UHFFFAOYSA-N 310.401 2.364 0 40 DEAB CCC(=O)[C@H]1CCCCN1C(=O)c1ncn(-c2ccccc2)n1 195567742 JTHLZPLOESDBRA-CQSZACIVSA-N 312.373 2.241 0 40 DEAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3nncn32)c1 44901565 SPTKQXVVJNJZSR-SNVBAGLBSA-N 303.347 2.172 0 40 DEAB CSc1cncc(N2CCC[C@H]2C(=O)NCc2ccco2)n1 134901587 HPUHBROFSCYJTH-LBPRGKRZSA-N 318.402 2.077 0 40 DEAB CC(C)N(CC1CCC1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 194332379 QVAQGLBWVJWWCK-CQSZACIVSA-N 307.438 2.217 0 40 DEAB Cc1ccc(=O)n(CC(=O)N2c3ccc(F)cc3CC[C@H]2C)n1 44394410 OWXRFTWOWTZZJR-GFCCVEGCSA-N 315.348 2.059 0 40 DEAB CN(C)c1ncc(NC(=O)/C=C/c2ccccc2)c(N(C)C)n1 224349698 DFIXTKBVHUIYKQ-ZHACJKMWSA-N 311.389 2.261 0 40 DEAB S=C(NC1CCCC1)N1CCN(Cc2ccccn2)CC1 225225826 GABROJAVJXCPKS-UHFFFAOYSA-N 304.463 2.016 0 40 DEAB O=C(N[C@@H]1CC=CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 195530774 ASDMXUBBPBYQPQ-SJORKVTESA-N 300.402 2.112 0 40 DEAB COc1cc(C=O)ccc1OCC(=O)Nc1nc(C)cs1 96957129 JVLHORCGZVEKFY-UHFFFAOYSA-N 306.343 2.290 0 40 DEAB CN(C)C(=O)NC[C@H]1CC12CCN(Cc1nccs1)CC2 96238293 PKCRRNLTTGIYKR-GFCCVEGCSA-N 308.451 2.016 0 40 DEAB O=C(c1ccccn1)N1CCC2(CCCN2c2ncccn2)CC1 96075358 IVCTYOFYPDEZBJ-UHFFFAOYSA-N 323.400 2.147 0 40 DEAB CCN1Cc2nccn2C[C@@H](COCc2csc(C)n2)C1 96188108 SWIURJDSDGYVNY-ZDUSSCGKSA-N 306.435 2.317 0 40 DEAB O=S(=O)(NCc1ccc(-c2ccccc2)o1)[C@@H]1CCOC1 96411385 NPGJZEKWKLSTDA-CQSZACIVSA-N 307.371 2.155 0 40 DEAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4cccs4)C[C@@H]23)n1 96057245 PXZZDUNHBHRGJN-NFAWXSAZSA-N 319.430 2.377 0 40 DEAB C[C@H](CNC(=O)c1ccn(C)c(=O)c1)Sc1ccccc1 96431698 MBVMHICCWCNLBK-GFCCVEGCSA-N 302.399 2.296 0 40 DEAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 96380114 BHPUJDXMVOKZNR-UHFFFAOYSA-N 315.822 2.235 0 40 DEAB COCCn1cc2c(n1)[C@@H](CNCc1ccc(F)cc1)OCC2 96059701 CIDAQCXJGDKXPY-MRXNPFEDSA-N 319.380 2.072 0 40 DEAB c1ccc(-c2nnn3c2CO[C@H](CNCc2ccncc2)C3)cc1 96061093 LWZCQNLGTLNRSW-MRXNPFEDSA-N 321.384 2.029 0 40 DEAB O=C1N(Cc2cccnc2)CC[C@]12CCN(Cc1ccoc1)C2 96050501 XRYFSSFVMGLQNH-SFHVURJKSA-N 311.385 2.299 0 40 DEAB COC[C@H]1CCC2(CCN(C(=O)C3CC3)CC2)N1CC1CC1 96207633 UBWJMZABFFFKPQ-MRXNPFEDSA-N 306.450 2.278 0 40 DEAB CCc1cc(CNC(=O)NC[C@@H]2CCO[C@@H]2C(C)(C)C)on1 96421588 ZWSSUMNXUBZPNZ-FZMZJTMJSA-N 309.410 2.487 0 40 DEAB COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)C[C@@H]1C 248899755 KPQAXUUDZJFVRV-WCFLWFBJSA-N 308.378 2.490 0 40 DEAB O=C(Cc1ccccc1F)N1CCC[C@H](c2ccnc(O)n2)C1 257235576 GYKXATHQYCEBBM-ZDUSSCGKSA-N 315.348 2.270 0 40 DEAB Cc1ocnc1C(=O)N[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 257200072 ABWXPCUFGDZPSI-IIAWOOMASA-N 316.357 2.074 0 40 DEAB COc1cccc(CN2CCC3(CC2)OCCC[C@H]3O)c1F 257341819 ZMCCVPFZMDTEJR-OAHLLOKOSA-N 309.381 2.340 0 40 DEAB COc1cc(Br)c(I)cn1 642882599 QXAPMAFBZACRBH-UHFFFAOYSA-N 313.920 2.457 0 40 DEAB Cc1cnc(CN(C)[C@H]2CCN(CCc3ccccn3)C2)o1 84258887 NZYDJXOSBJEGJL-INIZCTEOSA-N 300.406 2.127 0 40 DEAB C[C@@H](c1ccc(F)c(Cl)c1)N(C)CCNS(C)(=O)=O 76091268 NWKADOAINFGLAC-VIFPVBQESA-N 308.806 2.021 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H](C)c1ccccn1 78940064 XCJVLFNFKAYMFI-AAEUAGOBSA-N 315.421 2.423 0 40 DEAB O=C1N[C@]2(CCOC2)C(=O)N1Cc1cc(Cl)ccc1Cl 89768351 PJMLHKVEZYCODB-ZDUSSCGKSA-N 315.156 2.204 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(C)c1 5538451 DQZFMEXFYVAOGQ-RQJABVFESA-N 301.342 2.205 0 40 DEAB COc1ccc(OC)c2c(SC[C@H](N)C(=O)O)cc(C)nc12 13207000 ZKFKRCIYRJBBJK-VIFPVBQESA-N 322.386 2.064 0 40 DEAB biogenic COc1ccc(OC)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)c1 13940398 LUWPAVDRGWNLNI-OJXGSEEGSA-N 313.353 2.405 0 40 DEAB Cc1ncc(C(=O)N2CCN(Cc3ccccc3)CC2)c(C)n1 19937089 JBUIXRDOBZHQSR-UHFFFAOYSA-N 310.401 2.051 0 40 DEAB O=C(Cn1cncn1)N1CCS[C@H](c2cccs2)CC1 219509337 ILCMSFGKTGVZST-LBPRGKRZSA-N 308.432 2.046 0 40 DEAB CC(C)(C)c1ccc(N2CCC[C@H](NC(=O)C3CC3)C2)nn1 1889070228 DGMJDKVHTIRVGD-ZDUSSCGKSA-N 302.422 2.269 0 40 DEAB CO[C@@H]1CCN(C(=O)CN(C)C(C)C)C[C@H]1Cc1ccccc1 1565542459 BVSDQXIUHDHAAT-QZTJIDSGSA-N 318.461 2.433 0 40 DEAB CCc1ccc(C(=O)N2CC[C@H]3OCCC[C@@]3(COC)C2)cn1 1565545274 CMNLPVHXZVGCKG-AEFFLSMTSA-N 318.417 2.302 0 40 DEAB COc1ccc(NC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 10256221 IKOAKPSSPCCGHV-HNNXBMFYSA-N 311.341 2.144 0 40 DEAB Cn1/c(=N\C(=O)c2ccco2)sc2cc3c(cc21)OCCO3 11612392 BIIHHPFVMRCLQP-FOCLMDBBSA-N 316.338 2.345 0 40 DEAB CCOc1ccc(C(=O)NCC2CCN(CCOC)CC2)cc1 23014278 DUUGEOKXKOCXEN-UHFFFAOYSA-N 320.433 2.174 0 40 DEAB COc1ccc(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)cc1OC 100900378 AEFPCFUCFQBXDQ-BTTYYORXSA-N 305.374 2.486 0 40 DEAB in-vitro C[C@](O)(CNC(=O)c1ccc2nsnc2c1)c1cccs1 75155874 SFBMDKVDKCXHET-AWEZNQCLSA-N 319.411 2.390 0 40 DEAB O=C(NC[C@@H](O)c1cccs1)c1cc(-c2ccco2)on1 75155980 GEKVAQCGTHVTTL-SNVBAGLBSA-N 304.327 2.460 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCc2ccccc21 100698252 MELFEFLZAXHIKK-DARAHFNDSA-N 310.397 2.293 0 40 DEAB Cc1cccnc1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 170551 IOLBMBBSJAUMQT-LLVKDONJSA-N 309.325 2.013 0 40 DEAB NC(=O)C1CCN(Cc2csc(Br)c2)CC1 40540099 JYQHABKVHNNWQI-UHFFFAOYSA-N 303.225 2.208 0 40 DEAB Cc1ccccc1CC(=O)N1CCC(CN2CCOCC2)CC1 40539071 DPKSAIDQSFLZQR-UHFFFAOYSA-N 316.445 2.108 0 40 DEAB NC(=O)[C@H](NCc1cccc2c1OCCCO2)c1ccccc1 51187559 ZCFRDLRULHHWNQ-MRXNPFEDSA-N 312.369 2.164 0 40 DEAB CC(=O)Nc1nc(C(=O)NC[C@H](C)N2CCCCCC2)cs1 32348963 OVDLWPUTFSGCSL-NSHDSACASA-N 324.450 2.096 0 40 DEAB C[C@@H]1CN(C)CC[C@@H]1NC(=O)Nc1ccc(N2CCCC2)nc1 52138015 NQFGIWHGLGICRC-HIFRSBDPSA-N 317.437 2.144 0 40 DEAB CNC(=O)c1ccc(OCC(=O)Nc2cc(C(C)C)no2)cc1 32783717 WGDJHMYONAQBGD-UHFFFAOYSA-N 317.345 2.175 0 40 DEAB COCCNCC(C)(C)[C@H](O)c1ccc(Br)nc1 1857794507 QNTDSSFKOVSVFE-GFCCVEGCSA-N 317.227 2.140 0 40 DEAB CC(C)(C)C(=O)COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 816324 KFTAWZHFKRFFMI-GFCCVEGCSA-N 303.358 2.198 0 40 DEAB Cc1ncc(CNC(=O)C(=O)Nc2ccc3c(c2)CCC3)s1 76018324 RWLZOUIYGPFQDY-UHFFFAOYSA-N 315.398 2.195 0 40 DEAB CN(C)C(=O)CCOC(=O)c1ccc(F)c(Br)c1 76090312 CEVFTCWYTORUKW-UHFFFAOYSA-N 318.142 2.223 0 40 DEAB CC(=O)N[C@H](CSc1cc(C)nc2ccccc12)C(=O)O 541333 CRKABFDBIFTCPB-CYBMUJFWSA-N 304.371 2.225 0 40 DEAB COc1ccccc1S(=O)(=O)N1CCSc2ccncc21 79060914 YEAUMYDUTCZKFR-UHFFFAOYSA-N 322.411 2.391 0 40 DEAB COc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1 522221 UFHWKUIMNDFMMZ-UHFFFAOYSA-N 309.329 2.110 0 40 DEAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCO[C@@H]2CCC[C@H]21 53382949 CHOMLOVTDJSWGU-IAGOWNOFSA-N 311.385 2.195 0 40 DEAB COc1cc([C@@H]2CNCc3cc(OC)c(O)cc32)ccc1O 4963070 OVSLAHWMVVLOHG-ZDUSSCGKSA-N 301.342 2.350 0 40 DEAB O=C(COC(=O)c1cccs1)NCCc1ccc(F)cc1 7533135 UPYWGTLKJJPXHJ-UHFFFAOYSA-N 307.346 2.403 0 40 DEAB O=C(COC(=O)c1ccccn1)Nc1ccc(F)c(F)c1F 807493 OKWRDYNWYWXOMR-UHFFFAOYSA-N 310.231 2.294 0 40 DEAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccc(OC(F)F)cc2)CCO1 12344343 PGNJIJMKGRDEEP-QWRGUYRKSA-N 314.332 2.336 0 40 DEAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)N1CCOCC1 57631297 AAZJHKCZVZFNOJ-LBPRGKRZSA-N 303.280 2.033 0 40 DEAB Cn1cc(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)cn1 55944963 QBFXUHYQLVLOKV-LSDHHAIUSA-N 303.337 2.209 0 40 DEAB CS(=O)(=O)NCCc1ccc(OCc2ccccc2)cc1 56075507 VZIFKFNPTXILTG-UHFFFAOYSA-N 305.399 2.357 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)Nc2ncc(-c3ccccc3)s2)C1 47773805 BZUIWFUHSMVJEU-NSHDSACASA-N 316.386 2.149 0 40 DEAB C[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)(C(=O)O)C1CC1 108167522 AUVSCOCFNSJTFA-LYOVBCGYSA-N 309.312 2.438 0 40 DEAB Cn1c(SCc2cccc(OCC(F)(F)F)c2)n[nH]c1=O 57488751 RGIPIKAYSZFJNM-UHFFFAOYSA-N 319.308 2.342 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cc1 1972434 VLTGGFUBETZMTR-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)[S@](=O)Cc2ccccc2F)no1 58132417 WFTNQHPMAFQCIR-UZJPJQLHSA-N 310.350 2.398 0 40 DEAB CO[C@H](C(=O)NCCNC(=O)OC(C)(C)C)c1ccccc1 58292848 CREUUNJAMNFADY-ZDUSSCGKSA-N 308.378 2.015 0 40 DEAB CCc1nc(NC(=O)[C@@H](C)NC(=O)c2ccoc2)sc1C 44978235 DMJHZDGOOFTJRE-MRVPVSSYSA-N 307.375 2.364 0 40 DEAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)COC2CCCCC2)C1 58393087 PBTCDPCMSSJSGW-OAHLLOKOSA-N 324.465 2.347 0 40 DEAB C[C@@H](C(=O)NC(N)=O)N(C)Cc1ccccc1-c1ccccc1 58323648 IIEPKIBFJUESNU-ZDUSSCGKSA-N 311.385 2.369 0 40 DEAB COc1ccccc1OC[C@H](C)NCc1c(C)nn(C)c1OC 58420549 KZVZEHVMNSDSOK-LBPRGKRZSA-N 319.405 2.303 0 40 DEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(N(C)C)c2)on1 10645740 DFMNPXWOPJDSKX-NSHDSACASA-N 317.345 2.233 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCO1 10681442 QWUIZFDMYRYSAR-MRVPVSSYSA-N 310.202 2.403 0 40 DEAB Cc1cc(S(=O)(=O)c2cnc(=S)[nH]c2O)ccc1F 57509354 VIJBKQUQZMFDRU-UHFFFAOYSA-N 300.336 2.125 0 40 DEAB Cc1csc(NS(=O)(=O)c2ccc3c(c2)OCCO3)n1 27757054 RJBDIYFJZCGXKS-UHFFFAOYSA-N 312.372 2.024 0 40 DEAB Cc1noc(C)c1CN1CC[C@H]2[C@H]1CCN2CC1CCOCC1 306131168 JYBBKNRVHOJWIE-ZWKOTPCHSA-N 319.449 2.367 0 40 DEAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)NC2CC2)cc1 8929865 ZBLBQPXRQFFSSC-GFCCVEGCSA-N 303.358 2.168 0 40 DEAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 4113578 FTEDBWMDHOWHPE-OAHLLOKOSA-N 318.373 2.067 0 40 DEAB O=C(NCc1ccncc1)Nc1cccc(OCC(F)F)n1 97143251 AHJRBEQVPSJMSD-UHFFFAOYSA-N 308.288 2.442 0 40 DEAB CCOC(=O)c1c(NC(=O)Cc2nnc(C)o2)sc(C)c1C 13857675 ZEEAQTJGJMUDNS-UHFFFAOYSA-N 323.374 2.414 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1cccc(CN(C)C)c1 65518875 BTUQEBCQGUWNPZ-UHFFFAOYSA-N 315.465 2.146 0 40 DEAB CC(=O)c1ccc(S(C)(=O)=O)c(N(C)Cc2nccs2)c1 96007460 PQUISUNKDRRUGF-UHFFFAOYSA-N 324.427 2.386 0 40 DEAB O=C(N[C@@H]1CCc2ccccc2C1)N1CC[C@@H](N2CCCC2)C1 66193191 XCCUYLVMAPLPBX-QZTJIDSGSA-N 313.445 2.424 0 40 DEAB CC(=O)Nc1ccc2c(COC(=O)[C@H]3C[C@@H]3C)cc(=O)oc2c1 6946778 BBFVQPHUXGCYDQ-XPTSAGLGSA-N 315.325 2.451 0 40 DEAB O=C(CC[C@H]1CCCO1)NCc1ccnc(OCC2CC2)c1 67333260 FRMVMJTYWAPQJU-OAHLLOKOSA-N 304.390 2.446 0 40 DEAB C[C@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1cc2ccccc2o1 7694476 SBQXJHDKWGFGGV-FZMZJTMJSA-N 317.341 2.332 0 40 DEAB Cc1cc2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C)oc2cc1C 96431203 CNYQLWGIFPHDIE-LBPRGKRZSA-N 321.398 2.309 0 40 DEAB CC[C@@H](NC(=O)NCc1ccc(OC)nc1)c1ccncc1 96437538 BWJZIOMATHPYSQ-CQSZACIVSA-N 300.362 2.436 0 40 DEAB Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 72242951 WJCXGCZHAXJUAZ-UHFFFAOYSA-N 317.370 2.076 0 40 DEAB COCCCN1CCC(NC(=O)/C=C/c2ccc(F)cc2)CC1 69371103 YYXCQTJIFPGWMD-VMPITWQZSA-N 320.408 2.456 0 40 DEAB OCCN1CCC(CNCc2csc(-c3ccco3)n2)CC1 69415333 IUUJOXUHXIORTI-UHFFFAOYSA-N 321.446 2.197 0 40 DEAB Cc1cccc(NC(=O)CN(C)C(=O)Cc2ccc(C)s2)n1 69518192 HCNLQDFEYVWLOW-UHFFFAOYSA-N 317.414 2.400 0 40 DEAB Cc1ccc(C(=O)N2CCCN(Cc3cnn(C)c3)CC2)s1 69922055 OJKBLLJXTXLGPH-UHFFFAOYSA-N 318.446 2.138 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2nc(-c3ccco3)no2)c1 69927601 UOJVEHRUIUJLDI-CYBMUJFWSA-N 313.361 2.499 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc32)no1 72299089 QEJZDXRWNYUFCR-OLZOCXBDSA-N 313.357 2.472 0 40 DEAB Cc1nc2nc(NC(=O)c3cccc(Cl)c3)nn2c(O)c1C 18219991 FEMKKAPUNWLEGM-UHFFFAOYSA-N 317.736 2.352 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 95398678 ZHVWLTBJUDWEAS-ZDUSSCGKSA-N 311.813 2.443 0 40 DEAB CNC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc(SC)cc1 95398001 CSSAYTDRXJHFMO-AWEZNQCLSA-N 308.447 2.228 0 40 DEAB CCC[C@@H](C)C(=O)N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 95435826 GXMQPXRVGIIIBR-MNOVXSKESA-N 320.397 2.494 0 40 DEAB CC[C@H](c1ccccc1)[S@@](=O)CC(=O)NC[C@@H]1CCCO1 95411036 OGTHKTCLBCGCIL-PDSXEYIOSA-N 309.431 2.182 0 40 DEAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1ccc[nH]1 95439771 XLTRCXLTJWSJGW-UHFFFAOYSA-N 302.758 2.427 0 40 DEAB CN(C[C@H]1CCOC1)C(=O)NC[C@H]1OCCc2sccc21 95408204 RUGKCLQXXDRTFD-DGCLKSJQSA-N 310.419 2.040 0 40 DEAB CC1(C)CN(C(=O)[C@H]2CSc3ccccc32)CC[S@]1=O 88206197 WYNNRSGQXMOFDV-YUNKPMOVSA-N 309.456 2.245 0 40 DEAB Cn1cnc2cc(C(=O)N(CCO)Cc3ccsc3)ccc21 95973487 ABCPWFVLNXQJLR-UHFFFAOYSA-N 315.398 2.270 0 40 DEAB CCCc1csc(NC(=O)NCc2nncn2C2CC2)n1 95989133 BFZTWQPZRPDFNX-UHFFFAOYSA-N 306.395 2.344 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)NC[C@H](O)COCC1CC1 89689277 JAEUQBWNVCUZCK-XIRDDKMYSA-N 303.402 2.002 0 40 DEAB O=C(Nc1cnc(C2CC2)nc1)c1cccc(-n2cccn2)n1 89794157 DIYDTJRTTCLSAH-UHFFFAOYSA-N 306.329 2.187 0 40 DEAB COc1cccc(O[C@H](C)C(=O)NCCCN2CCCC2)c1 20483163 ISDNVSHECBOUDK-CQSZACIVSA-N 306.406 2.065 0 40 DEAB COC(=O)c1nn(CCC(F)(F)F)cc1Br 408715917 GRQBHSJGQRGFEV-UHFFFAOYSA-N 301.062 2.385 0 40 DEAB O=C(NC[C@@H]1CCc2ncc(-c3ccsc3)n21)[C@H]1CCOC1 306144117 YWMYZAQZDBTEQG-AAEUAGOBSA-N 317.414 2.252 0 40 DEAB CCCCCCNC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 36661218 XMOFQZSMKVHPOS-CXAGYDPISA-N 323.437 2.184 0 40 DEAB CCOC[C@H](O)CN(C)C1CCN(C2CCC(C)CC2)CC1 71904876 NFUQYYDSSUAFEW-VMWRSERWSA-N 312.498 2.359 0 40 DEAB O=C(NC[C@@H]1CNCCO1)NC1CCC(c2ccccc2)CC1 561124874 CLPQHGYDRXKWIS-JCYILVPMSA-N 317.433 2.000 0 40 DEAB CCn1c(NCCc2ccccc2)nc2c(C)nn(C)c2c1=O 32651865 DOXNDAXIMMAKNK-UHFFFAOYSA-N 311.389 2.113 0 40 DEAB CCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227594 LHMNTBQOUZIOAF-DLBZAZTESA-N 310.353 2.393 0 40 DEAB CC/C=C/COC(=O)c1sccc1S(=O)(=O)N(C)C 78984622 ZNQCXYQXLYJDTI-AATRIKPKSA-N 303.405 2.121 0 40 DEAB C[C@H](C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C)n1cccn1 79363060 IIGGFCZHZJUOGZ-RISCZKNCSA-N 322.359 2.141 0 40 DEAB COc1cccc2ccn(CCC(=O)N[C@H](C(=O)O)C(C)C)c12 40312883 FIODSQFYESBKLW-HNNXBMFYSA-N 318.373 2.265 0 40 DEAB biogenic CCn1ccc(NC(=O)[C@@H]2CCC(=O)N2Cc2cccs2)n1 72239668 KDSRWGCKVGZLDC-LBPRGKRZSA-N 318.402 2.094 0 40 DEAB Cc1c(OCC(=O)Nc2ccc(Cl)cc2)c(=O)ccn1C 44901730 ZIGPYNXQKUJFOZ-UHFFFAOYSA-N 306.749 2.365 0 40 DEAB Cc1ccc(CC(=O)N[C@@H]2CCC[C@H]2O)cc1Br 225482039 WWNKATAWQFPMNA-CHWSQXEVSA-N 312.207 2.330 0 40 DEAB O=c1c2cc3c(cc2[nH]c(=S)n1Cc1ccncc1)OCO3 40478800 ZKIKUMMZIFVJCY-UHFFFAOYSA-N 313.338 2.231 0 40 DEAB CSCC[C@](C)(O)CNC(=O)Nc1ccc2c(c1)OCO2 75157686 ZWAGRRSHQNEXAG-AWEZNQCLSA-N 312.391 2.041 0 40 DEAB COc1ccc(CNC(=O)NCCn2nc(C)cc2C)cc1 44159081 HJABSXVYJFAISL-UHFFFAOYSA-N 302.378 2.008 0 40 DEAB COCCCNC(=S)Nc1cc(C(=O)O)ccc1Cl 225155338 PONZTHGVWLZVLP-UHFFFAOYSA-N 302.783 2.361 0 40 DEAB Cn1c(SCC(=O)O)nnc1-c1cc2ccccc2cn1 199721054 QMFUZEWMYTVUNU-UHFFFAOYSA-N 300.343 2.207 0 40 DEAB OC[C@@H]1CCc2ccccc2[C@@H]1NCCO[C@@H]1CCCCO1 225533079 CYTMOLJXGMPHCA-CGTJXYLNSA-N 305.418 2.415 0 40 DEAB COc1cnc(O[C@@H]2CCN(Cc3cccc(OC)c3)C2)nc1 1203824676 VWNJGXNNXNAJOZ-OAHLLOKOSA-N 315.373 2.147 0 40 DEAB COc1ccc(CCNC(=O)N2[C@H]3CC[C@H]2CC(O)C3)c(F)c1 225541094 UYRCZQLWGKVXSS-STQMWFEESA-N 322.380 2.074 0 40 DEAB CCn1nncc1C(=O)N1CC[C@](F)(c2cc(F)cc(F)c2)C1 332101543 GQKCXBRHZZBLGN-OAHLLOKOSA-N 324.306 2.287 0 40 DEAB CS[C@H]1CCCC[C@H]1NC(=O)CCCCCNC(C)=O 96416548 HBNAOCRYACHPLU-KGLIPLIRSA-N 300.468 2.473 0 40 DEAB CC(C)CN1CCC2(CC1)CN(C(=O)c1cccnc1)CCO2 96158954 WLSBIMZHHMLCMA-UHFFFAOYSA-N 317.433 2.045 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1c[nH]c(=O)c2ccccc12 96231429 MJKUJTFDPJPEEL-UHFFFAOYSA-N 318.336 2.334 0 40 DEAB COCCN1C(=O)CC[C@@]12CCCN(Cc1nccs1)CC2 96047518 GRHLFVFJEVECBW-MRXNPFEDSA-N 323.462 2.137 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@@H](N2CCCC2)C[C@@H]1C(=O)O 96069042 HEAYHPULLRCRMB-CHWSQXEVSA-N 322.430 2.210 0 40 DEAB CCc1nc2nccc(-c3cc(OC)c(OC)c(OC)c3)n2n1 96345342 RZHFEQZIPYFZCZ-UHFFFAOYSA-N 314.345 2.380 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2cccs2)Cc2cnn(C)c21 96060090 ZMGFDPPNAPIIQX-LBPRGKRZSA-N 305.403 2.258 0 40 DEAB COC(=O)c1ncn(Cc2ccccc2OCC(F)(F)F)n1 96430173 UCHAECSQDFFTPG-UHFFFAOYSA-N 315.251 2.054 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1 96425577 TVMYZBUIYVHOEB-GDBMZVCRSA-N 323.458 2.463 0 40 DEAB c1cnc(N2CC[C@@H]3[C@@H]2CCN3Cc2ccc3c(c2)OCO3)nc1 96184803 YOYFXKDQEPNCCL-CABCVRRESA-N 324.384 2.059 0 40 DEAB C[C@@H]1C[C@H]1NC(=O)NC[C@H]1CCN(CCc2ccccc2)C1 245338896 PEHVYWUFYDLGIJ-DJIMGWMZSA-N 301.434 2.259 0 40 DEAB Cc1cn(C)c([C@@H]2CN(C(=O)c3ccccc3F)CCO2)n1 257292029 QJQUSFPTBBFNRK-AWEZNQCLSA-N 303.337 2.081 0 40 DEAB Cc1noc(C)c1CO[C@H]1CCN(CCO[C@H]2CCCCO2)C1 252536300 ICDFJUZQUFHAHU-RDJZCZTQSA-N 324.421 2.426 0 40 DEAB COc1ccc(NC(=O)Nc2cnc(OC)nc2OC)c(C)c1 96098721 KHHSSGWDCYFULJ-UHFFFAOYSA-N 318.333 2.455 0 40 DEAB Cc1cnc(OC[C@@H]2CCn3nccc3CN2CC2CC2)nc1 585096696 APLPIVHVJXZVOQ-INIZCTEOSA-N 313.405 2.045 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)NCCNc1ncccn1)C2 47104429 MCBAYMLSHKQFIG-CQSZACIVSA-N 314.414 2.030 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2F)C1=O 47359329 ZKFATYMSKPHBDQ-INIZCTEOSA-N 324.327 2.347 0 40 DEAB CC(=O)N[C@H](CC(=O)N(C)Cc1cccnc1)c1cccs1 48314414 LUKJXDKRRNNCML-CQSZACIVSA-N 317.414 2.369 0 40 DEAB C[C@](O)(CNC(=O)NCCOc1ccccc1)c1ccsc1 76019833 WMSSHUKRZXYMAS-INIZCTEOSA-N 320.414 2.334 0 40 DEAB CCSc1ccc(Cl)cc1C(=O)N1CC[C@@H](C(N)=O)C1 84812118 ZHJVVEAEKCLESE-SECBINFHSA-N 312.822 2.399 0 40 DEAB CCOC(=O)NCCN1CCN(c2ccc(Cl)cc2)CC1 38589932 HYIXAVBQVNYCDJ-UHFFFAOYSA-N 311.813 2.208 0 40 DEAB CC(C)N1C[C@H](C(=O)N(C)C)[C@@]2(CCc3ccccc3[C@@H]2O)C1 19447638 HCOUGQYVOJFBGI-ZIFCJYIRSA-N 316.445 2.081 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCCC[C@@H]2C)cc1 12378079 CDVQOWBNNPSLBF-XJKSGUPXSA-N 306.406 2.259 0 40 DEAB CCCCNC(=O)Cc1noc([C@@H]2C[C@H]2c2cccnc2)n1 78773522 OIXYEPXMXGYHTP-QWHCGFSZSA-N 300.362 2.195 0 40 DEAB O=C(C1CCOCC1)N1CC[C@@H](Oc2ccncc2Cl)C1 575608098 WHXXNHNLZJWZCK-GFCCVEGCSA-N 310.781 2.141 0 40 DEAB C[C@@H]1C[C@H](OC(=O)C2=Cc3cc(Cl)ccc3OC2)C(=O)O1 36396499 OWBFIQPKNYIVEH-OQPBUACISA-N 308.717 2.363 0 40 DEAB CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1 3440827 MVSKZOYDBAQINT-UHFFFAOYSA-N 318.398 2.495 0 40 DEAB NC(=O)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1 4550328 IGADLNYGXJJQAJ-UHFFFAOYSA-N 318.760 2.134 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)Cc2ccsc2)C[C@H](C)O1 21056552 MXUKNOOORCUKIS-STQMWFEESA-N 310.463 2.295 0 40 DEAB C[C@@H](C(=O)NCc1ccnc(-c2cccnc2)c1)n1cccn1 238836891 GXSGJAGCARRIFF-ZDUSSCGKSA-N 307.357 2.218 0 40 DEAB O=C(c1cc(-c2cccs2)on1)N1CC[C@@H](c2ncon2)C1 239611704 FBELNRMOMDKDMB-SECBINFHSA-N 316.342 2.416 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@]2(C1)C(=O)Nc1cc(N)ccc12 725328546 XIGDGNGABCQLFD-INIZCTEOSA-N 303.362 2.100 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)c2cc3ccccc3oc2=O)C1 15862204 XNPWUHDKJJRFOI-LLVKDONJSA-N 307.371 2.214 0 40 DEAB O=C(c1cc[nH]c1)N1CC[C@@]2(CC(=O)N(c3ccsc3)C2)C1 2055812430 SJFILQQIKKPLMW-MRXNPFEDSA-N 315.398 2.345 0 40 DEAB CS(=O)(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1ccco1 8734901 JQCMOMAQECMBGJ-CYBMUJFWSA-N 306.343 2.096 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)Cn2cccn2)cc1OC 40488892 HNWUPNCPLDJKTI-CQSZACIVSA-N 315.373 2.264 0 40 DEAB C[C@H](Sc1ncccc1C(=O)O)C(=O)NCc1ccco1 20303801 OPUVIMGDYNPQLP-VIFPVBQESA-N 306.343 2.170 0 40 DEAB COc1cccc(-c2cc(C(=O)N3CCSCC3)n[nH]2)c1 51315778 RMOUFJNWBSLOHX-UHFFFAOYSA-N 303.387 2.274 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N(C)Cc1cnn(C)c1 32406395 CNLCDCGAMMRGEQ-UHFFFAOYSA-N 313.810 2.203 0 40 DEAB CC(=O)Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 269543 UXVDMWABBOXYQI-GOSISDBHSA-N 324.336 2.058 0 40 DEAB biogenic CC(=O)CC[C@]1(c2cc[n+](C)cc2)CC[C@](C)(O)[C@H](C(C)=O)C1 1597045 HIKLFVACCNRXKO-FHWLQOOXSA-N 318.437 2.258 0 40 DEAB CCc1cnc(CN(C)[C@@H]2CCN(CCc3ccccn3)C2)o1 78891819 WBPJVEPFTFBDQF-MRXNPFEDSA-N 314.433 2.381 0 40 DEAB CCCc1cc2c(cc1C[C@@]1(C(C)=O)CCOC1=O)OCO2 2045274 PUXRIQMPGOQDHA-QGZVFWFLSA-N 304.342 2.433 0 40 DEAB CC(C)(CC(=O)N1CCCS(=O)(=O)CC1)c1ccccc1 78915163 HYSFCFKLNLIQCF-UHFFFAOYSA-N 309.431 2.001 0 40 DEAB C[C@@H]1C[C@@H](NCCc2cc(F)cc3c2OCOC3)CN1C1CC1 79073662 IPTGHYXYGVCAFM-MLGOLLRUSA-N 320.408 2.450 0 40 DEAB CCn1c(COc2ccccc2C)nnc1SCC(=O)O 4169173 PQUKAEAYCCOVFY-UHFFFAOYSA-N 307.375 2.362 0 40 DEAB O=C(CN1CCCCCC1)Nc1ccc(C(=O)NC2CC2)cc1 4935914 IILRGLCTYKSLPE-UHFFFAOYSA-N 315.417 2.393 0 40 DEAB CC(C)c1nc2cc(N[C@@H](C)C(=O)N3CCNC3=O)ccc2o1 46834054 FRAXONLEUWCZKU-JTQLQIEISA-N 316.361 2.303 0 40 DEAB CC(C)C(=O)N[C@@H](C)CCN1CCN(c2ccccc2)CC1 42599583 HITLJUALJQLKJJ-INIZCTEOSA-N 303.450 2.359 0 40 DEAB O=C(NCCc1nnc2n1CCC2)c1cc2c(s1)CCCC2 42502644 FFMXKJZREUBMIS-UHFFFAOYSA-N 316.430 2.137 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N[C@H]1CCCc2[nH]c(=O)ccc21 43090664 FBVGABLPXPJBLW-INIZCTEOSA-N 324.380 2.046 0 40 DEAB O=C(CN1CCc2cncnc2C1)N1CCC[C@H]2CCCC[C@H]21 106666930 QLWRHFIRFQQZQP-RHSMWYFYSA-N 314.433 2.016 0 40 DEAB Cc1ccc([C@H](C)NC(=O)CNC(=O)NCc2ccco2)s1 56176977 COKPRNIOHSAXMI-NSHDSACASA-N 321.402 2.326 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCN(C(=O)C(C)C)C3)cc2n1 100137840 SAXXHMVKFJECQF-GFCCVEGCSA-N 302.378 2.105 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108374860 UUCDQAJEMLPILV-YIYPIFLZSA-N 304.394 2.193 0 40 DEAB CC(C)[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O 35685901 JCBOAIIOZIKMLM-CQSZACIVSA-N 307.371 2.227 0 40 DEAB Cc1ccc(C)c(OCCCCC(=O)N[C@H](C)C(=O)N(C)C)c1 58158371 CCPZTFLZAKTYPH-OAHLLOKOSA-N 320.433 2.445 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)NCCCN1CCCC1=O 44890915 QMTBCWUEKCKLGI-HNNXBMFYSA-N 317.433 2.319 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 58281638 OPKLOBYIKQEJNZ-UHFFFAOYSA-N 315.295 2.401 0 40 DEAB C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)n1ccnc1 44976154 LSQVNSJYJWQVEZ-OAHLLOKOSA-N 312.417 2.225 0 40 DEAB CCCCNS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 20038792 RVFAOZQGAGNCFJ-UHFFFAOYSA-N 310.419 2.200 0 40 DEAB C[C@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCO1 27866225 BFXKEXQYBPEIKU-CABZTGNLSA-N 311.765 2.409 0 40 DEAB CC(C)(NCC(=O)N1CCCCC1)c1ccc2c(c1)OCO2 58377543 LHQZBNXFORSDSN-UHFFFAOYSA-N 304.390 2.253 0 40 DEAB CNS(=O)(=O)Cc1ccccc1CNCc1ccsc1 48040359 UIWZUNVILSAUDF-UHFFFAOYSA-N 310.444 2.087 0 40 DEAB COc1ccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cn1 48018679 WDPYPPFFPPVZBF-ZDUSSCGKSA-N 323.299 2.224 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)c2ccc(-n3cccn3)nc2)C1 67111429 SCRXEJZXJKLYAB-OAHLLOKOSA-N 314.389 2.299 0 40 DEAB O=C(NCc1ccccc1)[C@H]1CCCN(C(=O)N2CCCC2)C1 48273801 GOQDSZAILYQXKF-INIZCTEOSA-N 315.417 2.231 0 40 DEAB Cc1ccc(CNC(=O)NCc2nnc3n2CCCCC3)cc1 45570206 RLMOJXUZXDASCS-UHFFFAOYSA-N 313.405 2.312 0 40 DEAB CC(=O)N1CCCN(C(=O)c2sccc2-n2cccc2)CC1 48260725 VLMIHHXYGUKWJL-UHFFFAOYSA-N 317.414 2.233 0 40 DEAB Cc1ccc(Cl)cc1NC1=N[C@@H]2CS(=O)(=O)C[C@H]2S1 2464023 FGSHRAFFCZPEKU-GHMZBOCLSA-N 316.835 2.329 0 40 DEAB CC(C)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1 11392046 TTZGLXPWCPCPFU-UHFFFAOYSA-N 317.418 2.495 0 40 DEAB Cc1[nH]c(=S)n(-c2cccc(Cl)c2)c(=O)c1CC(=O)O 20156377 KJAQRDWNYKHXBO-UHFFFAOYSA-N 310.762 2.484 0 40 DEAB Nc1nc(Cl)cc(N2CCCN(c3ccccc3)CC2)n1 48345594 PPRGOJJUHZFWAH-UHFFFAOYSA-N 303.797 2.429 0 40 DEAB O=c1oc(-c2ccco2)nn1C[C@H](O)c1cc(F)ccc1F 48365490 FHGJPUHDNBFKQI-NSHDSACASA-N 308.240 2.108 0 40 DEAB C[C@H]([C@H](O)c1ccccc1)N(C)S(=O)(=O)c1cccs1 3885742 AOUHEPNDKSJKCS-RISCZKNCSA-N 311.428 2.491 0 40 DEAB O=C(c1cc2c(s1)CCOC2)N1CCC[C@@H]1Cn1cccn1 69948625 CWPDYDYZPOWUKB-CYBMUJFWSA-N 317.414 2.322 0 40 DEAB CC(C)(CNC(=O)N1CCOC[C@H]1C1CC1)c1ccncc1 92363299 ICHCYCWFLWYUIG-HNNXBMFYSA-N 303.406 2.180 0 40 DEAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2ccccc2)C1 65548873 IOBLILORFNMRHN-KGLIPLIRSA-N 319.405 2.082 0 40 DEAB O=C(Cn1cc(Br)cn1)NCCc1ccccc1 65552277 TWBDFCKUBYZMCG-UHFFFAOYSA-N 308.179 2.005 0 40 DEAB CCN(C(=O)CSc1nnc(N)s1)c1ccc(F)cc1 5315446 XCELJMFLNLTOMZ-UHFFFAOYSA-N 312.395 2.405 0 40 DEAB O=C1NC2(CCCCCC2)C(=O)N1C[C@H](O)c1ccccc1 24089787 DENPOWRMKMNBAM-AWEZNQCLSA-N 302.374 2.365 0 40 DEAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 9154825 PVQLITPBPYRHDK-QMMMGPOBSA-N 307.293 2.079 0 40 DEAB Cc1oc(-c2nc(-c3ccsc3)no2)cc1S(N)(=O)=O 96005584 SGCAARRQYQDTJR-UHFFFAOYSA-N 311.344 2.014 0 40 DEAB Cc1c(NC(=O)N2CCCN(C)CC2)cnn1CCC(C)C 96000107 FQGZYAFQULJMLQ-UHFFFAOYSA-N 307.442 2.407 0 40 DEAB Cc1cc(N[C@H]2CCc3nc(C)nn3C2)nc(-c2ccncc2)n1 71874919 RZWYRQHVWPLSOS-AWEZNQCLSA-N 321.388 2.174 0 40 DEAB COCCN1CC[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 68493056 CWKFDXKXHHNRFP-OAHLLOKOSA-N 304.434 2.049 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)NOCc1ccccc1 8097072 KFYRMGHRJQRMBT-UHFFFAOYSA-N 312.325 2.233 0 40 DEAB O=C(C1CCCC1)N1CCN(CCNC2CCCCC2)CC1 70039674 JHJCMUBLIKRGLT-UHFFFAOYSA-N 307.482 2.243 0 40 DEAB C[C@@H](NCc1nccn1CC(F)(F)F)[C@@H](C)n1cccn1 69349666 PRNRJFJNXVZVKQ-GHMZBOCLSA-N 301.316 2.381 0 40 DEAB COC(=O)c1c(CC(=O)N2CCCC[C@@H]2C)[nH]c(C(C)=O)c1C 8324352 RYFJANYXYFDAHN-JTQLQIEISA-N 320.389 2.256 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 69489513 MFTYBCHTLZRWKO-UONOGXRCSA-N 321.446 2.334 0 40 DEAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1occc1C 69461341 PWOZTNPWPIAXQD-QGZVFWFLSA-N 317.341 2.329 0 40 DEAB COCCn1ccc(NC(=O)Cc2csc(C(C)(C)C)n2)n1 69655580 LYZXMKFSGAWXNB-UHFFFAOYSA-N 322.434 2.465 0 40 DEAB O=C(c1ccc(CN2CCn3ccnc3C2)cc1)N1CCCC1 97201239 DBPNXMISNIRLCQ-UHFFFAOYSA-N 310.401 2.135 0 40 DEAB Cc1nc(S[C@H]2CCCCNC2=O)n(C[C@H]2CCCO2)c1C 9760766 DWSSCKZPBOLCEU-KGLIPLIRSA-N 323.462 2.440 0 40 DEAB CN(C)C(=O)N1CCC2(CC1)OCC[C@H]2CCOCC1CC1 306124765 BYRQKCPYGLRHHV-OAHLLOKOSA-N 310.438 2.356 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)NCC(C)(C)c1ccc(F)cc1 72270910 OOVDPBUGBFPQBQ-LBPRGKRZSA-N 319.384 2.083 0 40 DEAB COc1cc(C)c(S(=O)(=O)Nc2ccncc2)cc1OC 72275627 UTVYGSAVSVYBRD-UHFFFAOYSA-N 308.359 2.208 0 40 DEAB Cc1cc(NC(=O)N(CCO)[C@H]2CCc3ccccc32)n(C)n1 72285545 HECHVYOYTYWQAB-HNNXBMFYSA-N 314.389 2.242 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@H](O)C1 97162082 LGOWAOHJCTXJFU-AAEUAGOBSA-N 308.426 2.174 0 40 DEAB O=C(NCCOc1ccc(Cl)cn1)Nc1ccncc1F 97135758 FERGFJVVNPUJFI-UHFFFAOYSA-N 310.716 2.470 0 40 DEAB CCN(CC)CCOC1CCN(C(=O)Nc2cccnc2)CC1 72931262 TYNOFGDTSPNRBY-UHFFFAOYSA-N 320.437 2.436 0 40 DEAB c1ccc2c(c1)CCC[C@@]21C[C@H]1CNc1ccc2nnnn2n1 95413900 OQDXLFJBJBLEJP-GUYCJALGSA-N 306.373 2.225 0 40 DEAB O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCc2sccc2C1 73723083 IGVAUOSYMSPTDU-ZDUSSCGKSA-N 304.415 2.034 0 40 DEAB COc1ccccc1NC1CCN(CC(=O)N(C)C2CC2)CC1 85906176 KKPVRZIGVCYKQM-UHFFFAOYSA-N 317.433 2.192 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)[C@@H](C)N1CCOCC1 89598317 MBGJUTVOTXQLPL-SQWLQELKSA-N 309.454 2.070 0 40 DEAB CC(C)(C)OC(=O)N1CC(C)(OC(=O)CC[C@H]2CCCO2)C1 75105897 AIIQDQRETACINN-GFCCVEGCSA-N 313.394 2.498 0 40 DEAB CCCNC(=O)c1cc(S(=O)(=O)N[C@@H](C)CC)ccc1C 408610047 UQMADZQNHMIVFD-LBPRGKRZSA-N 312.435 2.212 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CC(C)(C)NC(C)(C)C1 170380160 BOZXQSQZWPVDOX-GXTWGEPZSA-N 323.481 2.107 0 40 DEAB CCNC(=O)c1ccc(NC(=O)c2cccc3nc(O)[nH]c23)cc1 553006523 CWFQZDJKLHDBCY-UHFFFAOYSA-N 324.340 2.271 0 40 DEAB Cc1ccc(-n2c(C)cc3c(cnc4ncnn43)c2=O)cc1C 38783936 UAGKOSUMBBOUCX-UHFFFAOYSA-N 305.341 2.354 0 40 DEAB CN1CC[C@@H](CNc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 37647671 YXUUNMJBXIMUAL-JTQLQIEISA-N 322.352 2.344 0 40 DEAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1=CCCOC1 125927384 GOSFEWZBUQYHLY-ZDUSSCGKSA-N 309.431 2.430 0 40 DEAB Cc1cc(C)n2nc(SCCCc3cncn3C)nc2n1 521395189 WJHOFCQJTZZZAB-UHFFFAOYSA-N 302.407 2.200 0 40 DEAB COc1cccc([C@@H](NC(=O)[C@@H](C)SC)c2nccn2C)c1 32626470 KLKMGZDGBUHYBJ-BXUZGUMPSA-N 319.430 2.386 0 40 DEAB NC(=O)c1ccc(N2CCC([C@@H](O)c3cccs3)CC2)nc1 32551001 YWGQBJDTJZSVLP-OAHLLOKOSA-N 317.414 2.192 0 40 DEAB COCCNc1cccc(C[C@H]2CCCN(C(C)=O)CC2)n1 72364887 RFURNBIIESYEBG-HNNXBMFYSA-N 305.422 2.331 0 40 DEAB Cc1nc([C@H]2CCCN2CC(=O)Nc2cc(C(C)C)no2)no1 75573049 VTCBQRQQZWTSIY-GFCCVEGCSA-N 319.365 2.265 0 40 DEAB CCC[C@H](C)[C@@H]1CCCN1C(=O)C(=O)Nc1cnc(CC)nc1 130493026 WAHOTDHQULECTA-JSGCOSHPSA-N 318.421 2.405 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 195555020 LQZVVGZXDFUWGB-INIZCTEOSA-N 308.397 2.317 0 40 DEAB CNC(=O)CCOC(=O)c1cc(C)cc(Br)c1 195565750 HGYFSOSJNJANEV-UHFFFAOYSA-N 300.152 2.050 0 40 DEAB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCN1C(=O)CNC1=O 96447092 AZDBPINFJWKUPF-NWDGAFQWSA-N 323.824 2.316 0 40 DEAB CC[C@@H](C)S(=O)(=O)N1CCCN(c2nc(C)cs2)CC1 96472497 UJRZDMBQZHURJW-GFCCVEGCSA-N 317.480 2.092 0 40 DEAB CCOC[C@H]1CN(Cc2cc(C)on2)Cc2cn(CC)nc21 96198100 SDIUKBAEJQNOQI-CQSZACIVSA-N 304.394 2.335 0 40 DEAB C[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 96502153 OSOCEBYXTSWDCD-NWANDNLSSA-N 316.405 2.065 0 40 DEAB CCc1cc(NC(=O)NC[C@@](C)(O)c2cc(C)oc2C)n(C)n1 96434945 LOZSYIOKCYCTJY-MRXNPFEDSA-N 320.393 2.222 0 40 DEAB c1cc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@H]32)cs1 247976871 VMFXRCQVUDEANT-RRFJBIMHSA-N 304.419 2.019 0 40 DEAB Cc1cncc([C@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)n1 257228691 FUWJEGRLHGHKQQ-HNNXBMFYSA-N 313.405 2.086 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)CCc2nnc(C(C)C)o2)C1 257340861 ZHUQLBJTPFFCPI-GFCCVEGCSA-N 317.393 2.173 0 40 DEAB CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 252518068 YZKQBYNYTQCHEH-AVGNSLFASA-N 313.442 2.018 0 40 DEAB O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCO2 36741386 MDGVYFYJTDMUBE-IBGZPJMESA-N 324.424 2.477 0 40 DEAB CCc1c(C(=O)O)nnn1Cc1ccc(Br)cc1 50214241 IJLUEXNXZHKSNF-UHFFFAOYSA-N 310.151 2.350 0 40 DEAB in-vitro COc1ccc([C@@H](C)CCNC(=O)N2CCC[C@@H]2CO)cc1 74584950 CGCHSWNAXWKOBW-DZGCQCFKSA-N 306.406 2.355 0 40 DEAB CN(CCNC(=O)OC(C)(C)C)Cc1ccc2c(c1)OCO2 75612317 HFDVBBOGVMXOLF-UHFFFAOYSA-N 308.378 2.372 0 40 DEAB COC1(CNC(=O)c2snnc2C)C2CC3CC(C2)CC1C3 96123835 VWIAHVHKHGVLDV-UHFFFAOYSA-N 321.446 2.418 0 40 DEAB Cn1cncc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1 655268664 BDVRGFFEVNYJSI-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB C[S@](=O)(CCOCc1ccccc1)=NC(=O)C(F)(F)F 215487174 SWZYLNHTFLKKRN-FQEVSTJZSA-N 309.309 2.390 0 40 DEAB CCCCNc1nnc(SCc2nnnn2CCC)s1 14639637 NTMQYWXUTVRCHV-UHFFFAOYSA-N 313.456 2.439 0 40 DEAB Cc1ccc(CS(=O)(=O)NCCn2nc(C)c(C)c2C)cc1 19210483 DFRZQGSJHUKUCM-UHFFFAOYSA-N 321.446 2.236 0 40 DEAB CC(=O)c1ccc(N2C(=O)C[C@H](NC3CCCCC3)C2=O)cc1 4853389 KFLGAHWKMKJTAD-INIZCTEOSA-N 314.385 2.443 0 40 DEAB CN(C)[C@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 4280198 IBEGUZRFTMJLBU-SNVBAGLBSA-N 305.161 2.337 0 40 DEAB Cc1cc2oc(=O)cc(C)c2cc1OC[C@@H](O)CNC(C)C 6922341 LWLXSESITKEFNQ-ZDUSSCGKSA-N 305.374 2.148 0 40 DEAB O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Cl)cc1 207291303 UMMCLDMBXDPGSF-UKJIMTQDSA-N 318.760 2.016 0 40 DEAB O=C1c2ccccc2C(=O)N1CCn1cnc(Cl)c1Cl 161400 DQBIOLXOUAGOLJ-UHFFFAOYSA-N 310.140 2.486 0 40 DEAB CC(=O)OC(C)(C)C(=O)NCC[C@H](O)c1cccc(Cl)c1 225610692 XHTOSVSHJUPGRP-ZDUSSCGKSA-N 313.781 2.221 0 40 DEAB OC[C@@]1(Cc2ccc(F)cc2)CN(Cc2cscn2)CCO1 643913881 KAJQGQBPGCGLJB-MRXNPFEDSA-N 322.405 2.088 0 40 DEAB CC(=O)NC1(c2ccccc2F)CCN(C[C@@H]2CCCO2)CC1 12219472 KTKDWOCDJRKASS-HNNXBMFYSA-N 320.408 2.432 0 40 DEAB CC(C)N1CCC(CNC(=O)C(=O)Nc2cccc(F)c2)CC1 12441388 UOMLPZQVIFELHZ-UHFFFAOYSA-N 321.396 2.001 0 40 DEAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)C2CC2)CC1 1336774 YCANPMNRJIABBP-UHFFFAOYSA-N 315.369 2.289 0 40 DEAB CCNC(=O)N1C[C@@H]2CCC[C@@]2(COc2ncnc(C)c2C)C1 1888873087 JUFWMJMECIQJHC-YOEHRIQHSA-N 318.421 2.304 0 40 DEAB CSc1nc(C)cc(N2CCC[C@@H](NC(=O)C3CC3)C2)n1 1889073539 WPMNSPSPLVVECG-GFCCVEGCSA-N 306.435 2.002 0 40 DEAB O=C(NCCc1ccc(OC(F)F)cc1)c1cccnc1O 18207278 AGEYJFYKKLLGFU-UHFFFAOYSA-N 308.284 2.361 0 40 DEAB O=C(Cc1cccc(F)c1)N1CCO[C@@H](c2ccncc2)C1 1848352153 MVYJAOKXFCNYCT-MRXNPFEDSA-N 300.333 2.363 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@H](C)C(C)C)no1 21871728 MORKJKJJFTXKED-GHMZBOCLSA-N 313.423 2.204 0 40 DEAB COC(=O)[C@H]1CC12CCN(C(=O)COc1ccc(F)cc1)CC2 265042740 KEQIYCOMEVFSIZ-CQSZACIVSA-N 321.348 2.006 0 40 DEAB CN1C[C@H](C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1=O 4744077 SFNRJLSYBUUSAM-OAHLLOKOSA-N 322.364 2.334 0 40 DEAB COc1cccc(CN2CC[C@]3(C[C@@H](n4ccnc4)CO3)C2)c1 2055841033 OQTAXMRYONAHDH-AEFFLSMTSA-N 313.401 2.498 0 40 DEAB CNC(=S)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 4073837 AVNJZKYCMSPOEY-QKPAOTATSA-N 305.491 2.386 0 40 DEAB biogenic CCn1cnnc1CNC(=O)c1csc(Br)c1 40536141 HVWHVSNJTHHSCH-UHFFFAOYSA-N 315.196 2.052 0 40 DEAB COC(=O)c1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1 30058183 HJEYLKMLFLJXDM-XNTDXEJSSA-N 307.305 2.284 0 40 DEAB C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 40074613 OEBCOCHUMGMOKO-IUCAKERBSA-N 321.851 2.404 0 40 DEAB O=C(O)[C@@H]1CS[C@H](c2ccc(F)c(Br)c2)N1 138340 SSVDPXTWTDRXNH-DTWKUNHWSA-N 306.156 2.376 0 40 DEAB Cc1nccn1CCCNS(=O)(=O)c1ccccc1Cl 40554948 YNZICNWBYSXONO-UHFFFAOYSA-N 313.810 2.214 0 40 DEAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(C(=O)O)CC3)c2c1 20744461 YQBNJHNBPCWYAN-OAHLLOKOSA-N 316.357 2.399 0 40 DEAB O=C1[C@H]2N=NN(Cc3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 101417241 HHHFRPXNRGDFQJ-LSDHHAIUSA-N 324.315 2.319 0 40 DEAB NC(=O)COc1ccccc1C(=O)Nc1ccc2c(c1)CCC2 32202830 HDMDKRNDWXRVTN-UHFFFAOYSA-N 310.353 2.292 0 40 DEAB CC(C)=C[C@H]1[C@H](C(=O)NCc2nnc3n2CCCC3)C1(C)C 41140539 HZDYJTVCLIGMHD-SWLSCSKDSA-N 302.422 2.469 0 40 DEAB COc1ccc(OCCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 32945318 GLMOAHFBQCRUIB-GASCZTMLSA-N 301.342 2.025 0 40 DEAB CN(C)c1ccc(CNC(=O)c2ccc(Cl)cc2O)cn1 32914497 QJACPWWIXDEMJI-UHFFFAOYSA-N 305.765 2.437 0 40 DEAB C[C@H](NC(=O)CCn1c(=S)[nH]c2ccccc2c1=O)C1CC1 18208214 XIXKKRJMALMRGX-JTQLQIEISA-N 317.414 2.364 0 40 DEAB CC(C)(CCS(C)(=O)=O)CNC(=O)NC[C@@H]1CC=CCC1 76018590 GSHQIJYCAUIBEK-CYBMUJFWSA-N 316.467 2.103 0 40 DEAB C[C@H]1CN(C)c2ccccc2N(C(=O)COC[C@@H]2CCCO2)C1 78877397 VDJKXLLUTPNRFF-GJZGRUSLSA-N 318.417 2.301 0 40 DEAB C[C@@H]1CCC[C@@H](CNC(=O)COc2ccc(C(N)=O)cc2)C1 79085210 HCOQNXGPCWSXTI-CHWSQXEVSA-N 304.390 2.107 0 40 DEAB Cc1cc(S[C@H](NC=O)C(Cl)(Cl)Cl)ncn1 3074493 WVBNXKFXDRDCSO-ZETCQYMHSA-N 300.598 2.319 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4713228 JXQDQHGVZVJLIP-CUFDPUGPSA-N 311.337 2.175 0 40 DEAB CCc1nnsc1C(=O)Nc1ccc(N2CCCC2)nc1 22702230 HARUSAXTMSMEIW-UHFFFAOYSA-N 303.391 2.348 0 40 DEAB N[C@@H](CC(=O)O)c1cnc(-c2ccc(Br)cc2)nc1 8731021 UVCMAKVEJDKWKD-NSHDSACASA-N 322.162 2.381 0 40 DEAB C[C@@H](c1nc(C2CC2)no1)N1CC[C@H](Cc2cnn(C)c2)C1 72309426 LMQVLCJRXGUNNF-NWDGAFQWSA-N 301.394 2.306 0 40 DEAB CCCc1nc(C)c(C(=O)NCCNc2cnccn2)s1 43034252 SXKNHCBJEUBECH-UHFFFAOYSA-N 305.407 2.036 0 40 DEAB Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3ccsc3n2)no1 24832653 IQHHWEROCCVWRV-ZDUSSCGKSA-N 316.386 2.390 0 40 DEAB CCNC(=O)CSc1nnc(Cc2ccccc2)n1CC 9663014 IXRBNEPAZQSJMR-UHFFFAOYSA-N 304.419 2.117 0 40 DEAB O[C@H](COCc1ccco1)Cn1cnc2cc(F)c(F)cc21 25256313 DBVZROMWXXAORV-JTQLQIEISA-N 308.284 2.485 0 40 DEAB CS(=O)(=O)NCc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106913206 DMQJIQCVHZQHQQ-YDHLFZDLSA-N 322.430 2.111 0 40 DEAB O=C(COC(=O)c1ccc(Cl)nc1)NCCc1ccccc1 3246686 ZJCFSIKSFVNDLG-UHFFFAOYSA-N 318.760 2.251 0 40 DEAB C[C@@H](NC(=O)NCc1ccccn1)c1ccc(NC(N)=O)cc1 58061879 NYSVLOVDKOGWCI-LLVKDONJSA-N 313.361 2.133 0 40 DEAB CCOC(=O)[C@H](C)N1CCC(C(=O)Nc2ccccc2)CC1 58170940 ODCWEPMRFQSLPL-ZDUSSCGKSA-N 304.390 2.289 0 40 DEAB COc1ccc([C@@H](C)NC(=O)NCCCn2ccnc2)cc1F 44891172 WPSLPVMBIXKYNV-GFCCVEGCSA-N 320.368 2.481 0 40 DEAB CCNC(=O)COc1cccc(NC(=O)OCC(F)(F)F)c1 58281896 GLJDLOYFKKQDOS-UHFFFAOYSA-N 320.267 2.312 0 40 DEAB CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cn2cccnc2n1 95423373 MHPOQFNDKLKDTO-ZIAGYGMSSA-N 316.405 2.395 0 40 DEAB CC1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1 2486740 KZICYUDNJKDUAX-UHFFFAOYSA-N 322.368 2.214 0 40 DEAB biogenic CC(=O)N(CCCNC(=O)Cc1c[nH]c2ccccc12)C(C)C 48316400 XSXUHLBTDXQOCI-UHFFFAOYSA-N 315.417 2.474 0 40 DEAB Cn1cc(C(=O)NCc2ccccn2)c(=O)c2cc(F)ccc21 22236199 XEYQMKHOVWFMAI-UHFFFAOYSA-N 311.316 2.003 0 40 DEAB O=c1n(CCNc2cccc3c2CCCC3)nc2ccccn12 95349501 MOGFSNWJNWODSE-UHFFFAOYSA-N 308.385 2.487 0 40 DEAB CC(C)OCCCN[C@@H](C)C(=O)Nc1ccc2c(c1)OCCO2 6085921 UPLDGUMYVOCTNU-ZDUSSCGKSA-N 322.405 2.190 0 40 DEAB Cn1c(SCC(=O)NC2CCCCC2)nnc1C(F)(F)F 6320550 WMRTUGOWEAUVCZ-UHFFFAOYSA-N 322.356 2.375 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN(Cc2ccccn2)C1 65503081 QXBACFIUTRZPQG-GFCCVEGCSA-N 302.403 2.389 0 40 DEAB NC(=O)CN(C(=O)[C@@H]1CCCc2ccccc21)C1CCCC1 65537064 RBSXIJAJXYWFFJ-MRXNPFEDSA-N 300.402 2.363 0 40 DEAB COC(=O)c1ccc(OCC(=O)NCCc2ccccc2)cc1 6405968 KYAUMLBKPGYPKN-UHFFFAOYSA-N 313.353 2.211 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1cccc(Cl)c1 14157826 KXHSITAWOMHPLE-JTQLQIEISA-N 320.828 2.366 0 40 DEAB NC(=O)c1ccccc1OCC(=O)Nc1ccc(F)c(F)c1F 4562662 UVTZPDUBPJZQHY-UHFFFAOYSA-N 324.258 2.220 0 40 DEAB O=C(NCc1ccccn1)c1ccc(OCC(F)(F)F)nc1 14282929 USLXJLSKJDGBRP-UHFFFAOYSA-N 311.263 2.348 0 40 DEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 6623221 WEFBVFUHZXZHBK-UHFFFAOYSA-N 316.382 2.075 0 40 DEAB O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(F)cc1 4700743 IQMWKVLYKMQPQO-UHFFFAOYSA-N 307.346 2.379 0 40 DEAB Cc1cccc(NC(=S)N(C)[C@@H]2CCS(=O)(=O)C2)c1C 6832045 HMKHFBSXNFQFOS-GFCCVEGCSA-N 312.460 2.119 0 40 DEAB C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCNC1=O 7127853 GLQZIGWGYGLZEP-SSDOTTSWSA-N 303.145 2.313 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 9420770 RKICJOIZJNKKNQ-XJKSGUPXSA-N 311.366 2.290 0 40 DEAB Cc1nc(CN(C)Cc2nc([C@H](C)OCC(C)C)no2)no1 80645068 MITGCNPZHKHPMX-JTQLQIEISA-N 309.370 2.127 0 40 DEAB CCc1ccc([C@@H](COC)NC(=O)c2ccnc(N(C)C)c2)o1 96423239 APSYBPQVOLDDBY-CQSZACIVSA-N 317.389 2.421 0 40 DEAB CSc1nnc(CCCNC(=O)NC2CC2)n1CC(C)C 71822713 WRMKPYMBPAQSGR-UHFFFAOYSA-N 311.455 2.050 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCN(C[C@H]3CCCO3)CC2)n1 69351080 SOSRZRLZADNLCQ-ZIAGYGMSSA-N 308.426 2.051 0 40 DEAB Cn1cc(CNC[C@H]2CCN(C3CC3)C2)c(-c2ccncc2)n1 71825215 QTZNYQSMNMBKSR-CQSZACIVSA-N 311.433 2.056 0 40 DEAB COc1ccccc1NC(=O)c1c(O)c2c([nH]c1=O)CCCC2 17137993 SEBFFPKYHRNLAQ-UHFFFAOYSA-N 314.341 2.220 0 40 DEAB Cc1ccc(CC(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cn1 69527500 XCPOXUJPSUUSHF-UHFFFAOYSA-N 321.421 2.352 0 40 DEAB C[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1nncn1C 69528454 FBVHIQNMCJIEEO-NSHDSACASA-N 320.360 2.093 0 40 DEAB CO[C@H]1CCCC[C@H]1NC(=O)N(CCO)Cc1ccccc1 83897680 HCIIPRCCEQXHCB-CVEARBPZSA-N 306.406 2.148 0 40 DEAB O=C(CCNC(=O)c1cccs1)Nc1nc2ccccc2[nH]1 17304074 HCRYUNWRWYLUKA-UHFFFAOYSA-N 314.370 2.383 0 40 DEAB C[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)c2ccccc2O1 69630743 VLSMWGKFXYAXIP-CYBMUJFWSA-N 307.353 2.482 0 40 DEAB CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1ccnn1C 71905562 UPVSWQVTEIBGEI-INIZCTEOSA-N 324.425 2.089 0 40 DEAB CC(C)(C)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 9691484 NYENSISJCUXVCM-CQSZACIVSA-N 324.446 2.347 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H](C)n1ccnc1 75130444 BDCSOJQAHWOOJQ-ZIAGYGMSSA-N 301.394 2.158 0 40 DEAB O=C(NCCCCCO)C(=O)Nc1cccc(Cl)c1Cl 170324662 AQWMQOUGGBHHER-UHFFFAOYSA-N 319.188 2.211 0 40 DEAB O=C(OCc1ccccc1)N1CCC[C@]2(CC1)COCCN2 306145610 KMECBIMQBZPRHK-KRWDZBQOSA-N 304.390 2.168 0 40 DEAB Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@@](C)(O)c1ccsc1 77563163 DAJZSMSFZMAVNH-ZUZCIYMTSA-N 322.434 2.058 0 40 DEAB CC1CCC2(CC1)NC(=O)N(NC(=O)CC1CCCCC1)C2=O 36624450 TWSQWROPVSJBGT-UHFFFAOYSA-N 321.421 2.489 0 40 DEAB Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227673 WUFXNXVFGOJCOL-SJORKVTESA-N 310.353 2.181 0 40 DEAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217419410 TUBVUUQJCXDGPL-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB COc1cccc([C@H](C)Nc2nc(N)nc3c2nc(C)n3C)c1 72240956 LTSBBMNWDKFIIS-VIFPVBQESA-N 312.377 2.436 0 40 DEAB Cc1c(NC(=O)N(C)[C@@H](C)C[S@](C)=O)cccc1N(C)C 121234682 LXPDFLLUGBRCGC-WIUDPPPLSA-N 311.451 2.292 0 40 DEAB CN(CCN)C1CCC(NC(=O)OCc2ccccc2)CC1 79391762 ABXCNJORUPJXRJ-UHFFFAOYSA-N 305.422 2.115 0 40 DEAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CN)n2)n1 72382973 AUGLQYRMLZXOJJ-GFCCVEGCSA-N 317.418 2.212 0 40 DEAB Cc1nc(NC(=O)C2CCN(c3ncccn3)CC2)sc1C 40527786 NUUNMFSKZJXUFV-UHFFFAOYSA-N 317.418 2.405 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)c3cc(C)oc3C)C2)nn1 225424251 CRPNXKWDCYKDFP-CYBMUJFWSA-N 301.346 2.288 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225789718 NKUSWKMVTKXCAM-INIZCTEOSA-N 313.401 2.250 0 40 DEAB C[C@H]1CC[C@@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)[C@@H](C)C1 195530232 VWGQAXYPXNCAHS-RWMBFGLXSA-N 318.483 2.324 0 40 DEAB O=C(c1cc2ccccn2c1)N1CCC[C@@H](Oc2cccnn2)C1 225456417 OUXHBBVOSPWHSN-MRXNPFEDSA-N 322.368 2.413 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1Cl 226627407 XXVQYRVODRVUJS-WFGGJUAMSA-N 303.745 2.481 0 40 DEAB CC(C)(C)CNC(=O)c1cnc2sc3c(n2c1=O)CCCC3 223042852 TVHPVQZEKHHDCI-UHFFFAOYSA-N 319.430 2.411 0 40 DEAB O=C(O)C[C@H](CC(=O)NC1CCC(O)CC1)c1ccccc1 226750306 NQNAHSGGCAFXLQ-NFOMZHRRSA-N 305.374 2.055 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1cnccn1)c1ccccn1 89848345 BXHXXKSPAJIMFV-KRWDZBQOSA-N 320.352 2.400 0 40 DEAB Cc1cnn(CCCNC(=O)N2CCS[C@H](C(C)C)C2)c1 96439821 BEFRTUAHVWRYED-AWEZNQCLSA-N 310.467 2.365 0 40 DEAB CO[C@@]1(C)C[C@@H](NC(=O)CN(C)C(=O)c2cccs2)C1(C)C 96443846 JHQNBZHSVDRETP-WBMJQRKESA-N 324.446 2.140 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(Cc1nccs1)C2 96201055 RZHCHPVDEINICE-UHFFFAOYSA-N 305.451 2.196 0 40 DEAB CN(C)C(=O)N1CC[C@H]2OCCC[C@@]2(COc2ccccn2)C1 96057089 AGBYUCSWVKSWMZ-PBHICJAKSA-N 319.405 2.013 0 40 DEAB CCN(CC)C(=O)c1nnn(Cc2ccc(C)cc2)c1OC 96183343 GQMNGKHMYBYILR-UHFFFAOYSA-N 302.378 2.125 0 40 DEAB CCCCSCCC(=O)N[C@H]1CCCN(c2ncccn2)C1 96416419 IBXZGTUCHDPQOW-AWEZNQCLSA-N 322.478 2.485 0 40 DEAB O=C(NCC1CC1)[C@H]1CCC2(CCN(c3nncs3)CC2)C1 96227859 LOUAAFQHRYEKDC-ZDUSSCGKSA-N 320.462 2.451 0 40 DEAB CC[C@@H]1N(C(=O)c2ccncc2)CCC[C@]12CCC(=O)N2C 96052426 YONYZHOSRCKSEP-YOEHRIQHSA-N 301.390 2.087 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)[C@@H]1Cc2cc(C)c(C)cc2O1 96430717 YYLADWRVRUNXDY-YOEHRIQHSA-N 303.402 2.492 0 40 DEAB C[S@](=O)c1cccc(NC(=O)NCCc2cccc(O)c2)c1 96411513 BGOHORAOJFGTOQ-JOCHJYFZSA-N 318.398 2.494 0 40 DEAB Cc1cc(C(=O)N[C@H](C)C(=O)O)ccc1NC(=O)CC(C)C 236623665 BJPISIPPLDIHLH-LLVKDONJSA-N 306.362 2.183 0 40 DEAB CCSCc1ccnc(NC(=O)c2ccn(C)c(=O)c2)c1 96485657 LBNFBEZOJGSEBL-UHFFFAOYSA-N 303.387 2.286 0 40 DEAB CCOCC[C@H]1CN(Cc2cccnc2OC)Cc2ccnn21 247846153 MUWOSMZJADVAEQ-INIZCTEOSA-N 316.405 2.270 0 40 DEAB CNc1cc(C)nc([C@]2(C)CCCN2Cc2cncn2C)n1 257281249 OOHYGTHOQPUWLO-INIZCTEOSA-N 300.410 2.071 0 40 DEAB Cc1ccc(C[C@H]2COCCN(C(=O)c3cncs3)C2)nc1 257266115 MBQHCEQYIPJBQY-CYBMUJFWSA-N 317.414 2.178 0 40 DEAB COc1ncc(CN2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)cn1 257224109 FAJIVUZKGXXOAQ-CQSZACIVSA-N 324.388 2.136 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257319584 VTDIYSQZONBQGL-ZDUSSCGKSA-N 314.389 2.298 0 40 DEAB OCCN(Cc1ccccc1)Cc1ccnc([C@@H]2CCCO2)n1 257297922 RJIPYTKLSVWHBY-KRWDZBQOSA-N 313.401 2.323 0 40 DEAB COC(=O)C1=C(C)O[C@H](CSc2nnc3n2CCCCC3)C1 271741208 QTQPMNQMDHHLPP-NSHDSACASA-N 323.418 2.333 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575404721 UWOADMMTACXRLO-SNPRPXQTSA-N 318.442 2.341 0 40 DEAB C/C=C(\C)C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 585140435 DKKHNGDISVOCCG-PQCZLFTGSA-N 323.418 2.306 0 40 DEAB CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2Br)CC1 65586402 LPOBDSBUMQVZID-CHWSQXEVSA-N 323.234 2.327 0 40 DEAB O=C(NCCc1ccc2c(c1)CCO2)N[C@H]1CCCC[C@@H]1CO 81495698 VOIYOLODADNBNX-CVEARBPZSA-N 318.417 2.014 0 40 DEAB c1ccc2[nH]c(NC[C@@]3(N4CCOCC4)CCSC3)nc2c1 95447141 HNEOUNVTWJBIGK-INIZCTEOSA-N 318.446 2.183 0 40 DEAB O=C(CN1CCc2cc(Br)ccc2C1)NC1CC1 192252485 KWROXJMDQVQOHO-UHFFFAOYSA-N 309.207 2.086 0 40 DEAB CC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 3071265 FFAUEOWFAIYBJN-UHFFFAOYSA-N 314.385 2.321 0 40 DEAB c1ccc2c(c1)CN(C[C@H]1CCOC1)CC1(CCOCC1)O2 12122161 CBKFANRINSQGIO-OAHLLOKOSA-N 303.402 2.467 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2C)c1 15354118 SYEGBXYDEZBUHF-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB O[C@@H]1C[C@@H](c2nc(C3CC3)no2)N(Cc2ccc(F)cc2)C1 15674785 NOCOAFITCZSDCK-KGLIPLIRSA-N 303.337 2.394 0 40 DEAB biogenic,in-vitro COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2 15823305 RVMDKZVXEBCIDF-UHFFFAOYSA-N 304.371 2.464 0 40 DEAB O=C(Cn1cncn1)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373837 XCQUAXRYBXKOCY-LMSBXDPUSA-N 310.401 2.367 0 40 DEAB Cc1cncc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1 1889095474 JSEIVWNDENZPPL-UHFFFAOYSA-N 324.375 2.259 0 40 DEAB CSCC[C@H](NC(=O)NCCC1=CCCCC1)C(=O)O 4301488 SMXSZBTWBBJOLB-LBPRGKRZSA-N 300.424 2.382 0 40 DEAB O=S(=O)(NC[C@H](O)c1ccccc1)c1ccc(Cl)s1 35611482 WQDKJTPDIKZNSH-JTQLQIEISA-N 317.819 2.413 0 40 DEAB CCOC(=O)NC[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 8981222 MIYLMPHDNLQOPD-GFCCVEGCSA-N 306.362 2.184 0 40 DEAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccn(Cc2ccccc2)n1 101581553 YAXNRICJNHVGNE-GJZGRUSLSA-N 307.353 2.387 0 40 DEAB Cc1cccc(CN2CCC(C(=O)NCCCN(C)C)CC2)c1 20100418 MTFJRXDTNLXLHZ-UHFFFAOYSA-N 317.477 2.275 0 40 DEAB C[C@]1(c2ccco2)NC(=O)N(CCOc2ccccc2)C1=O 40468926 ZMSXMEJQVSCXFY-MRXNPFEDSA-N 300.314 2.126 0 40 DEAB COc1ccc(N[C@H]2CCCCNC2=O)cc1OC(F)F 40490285 PSBVCABYYPTZDF-JTQLQIEISA-N 300.305 2.377 0 40 DEAB CCCN1CCN([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 32797239 WHBUDJZWPOLDOO-LBPRGKRZSA-N 311.376 2.319 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@H](C)OCc2ccccc2)c(=O)[nH]1 32766770 XHETZNVBNPUFPJ-AWEZNQCLSA-N 314.385 2.213 0 40 DEAB COc1cc(NC(=O)C2CCCC2)ccc1NS(C)(=O)=O 32818591 CVKJHDVJNRMNMB-UHFFFAOYSA-N 312.391 2.195 0 40 DEAB CSc1nnc(NS(=O)(=O)c2ccc(C)cc2)s1 364146 HJGQJVPUMUDMHQ-UHFFFAOYSA-N 301.418 2.369 0 40 DEAB Fc1ccccc1N1CCN(C(=S)NC[C@@H]2CCCO2)CC1 414836 XWGFWTYMUQQHEU-ZDUSSCGKSA-N 323.437 2.001 0 40 DEAB NC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1C(F)(F)F 76068669 FGGHJQQWFDBCBX-SCZZXKLOSA-N 315.295 2.481 0 40 DEAB C[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@H](c2ccco2)C1 76089348 MVSVYPABCFBVME-OLZOCXBDSA-N 313.419 2.404 0 40 DEAB COc1ccc(NC(=S)NC(C)=O)cc1Br 570537 HJFMZRXOKSZVBK-UHFFFAOYSA-N 303.181 2.291 0 40 DEAB O=C(CCNC(=O)c1cc2ccccn2c1)Nc1ccncc1 78965917 NLZZEPBBRZEQEF-UHFFFAOYSA-N 308.341 2.093 0 40 DEAB C[C@@H]1CCC[C@H](NS(=O)(=O)c2cnc(Cl)n2C)[C@@H]1C 79108306 ZORHYBSRJNIVGD-BBBLOLIVSA-N 305.831 2.177 0 40 DEAB CN(C)[C@H](CNCC(=O)N1CCc2ccccc21)c1ccco1 22038355 GMEFUNVJRSNEIS-MRXNPFEDSA-N 313.401 2.061 0 40 DEAB CCN1CCC[C@@H]1CNS(=O)(=O)c1c(C)cc(C)cc1C 6652539 YKRAABAPDCGJQT-OAHLLOKOSA-N 310.463 2.374 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 3191652 YMKFPZZZDXNJTL-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CC(C)c1cc(C(=O)N[C@H](C)C(=O)Nc2ccccc2)n[nH]1 71899413 XSHMWIIPONWHEI-LLVKDONJSA-N 300.362 2.290 0 40 DEAB CCOc1ccccc1C1CCN(C(=O)c2cn[nH]n2)CC1 71841974 CRCIVJKEUUMKGZ-UHFFFAOYSA-N 300.362 2.223 0 40 DEAB CCCN1CCC(NC(=O)NC2CCN(CC(C)C)CC2)CC1 71885911 PJJNPRIFTKWAHA-UHFFFAOYSA-N 324.513 2.280 0 40 DEAB CCOc1cccc(NC(=S)NCCCN2CCOCC2)c1 54971765 TXSPKECCEQEYMI-UHFFFAOYSA-N 323.462 2.094 0 40 DEAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Oc1ccc(-n2cccn2)cc1 72292746 HGZWQHVADYCZBZ-CJNGLKHVSA-N 316.357 2.362 0 40 DEAB O=C(OCCc1cnccn1)c1ccn(-c2cccc(F)c2)n1 58168280 DNKIEWQJJCDNNP-UHFFFAOYSA-N 312.304 2.201 0 40 DEAB Cc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1NS(C)(=O)=O 100452121 KEIWFUPHZDXZCM-JMSVASOKSA-N 322.430 2.285 0 40 DEAB O=C1COc2ccc(NC(=O)c3ccc(Cl)nc3)cc2N1 28237675 PUKAQYKYLXCNKE-UHFFFAOYSA-N 303.705 2.318 0 40 DEAB Cn1ccc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)n1 58641096 XGNWXJNMRIIPFU-UHFFFAOYSA-N 301.346 2.108 0 40 DEAB Cc1cc(N2CCN(C(=O)c3ccoc3)CC2)nc(C(C)C)n1 11077654 VIHTXHVTCUUBLW-UHFFFAOYSA-N 314.389 2.464 0 40 DEAB COc1ccc(F)cc1C(=O)COC(=O)Cc1c(C)noc1C 11259787 SNNCHSJUDBRXCI-UHFFFAOYSA-N 321.304 2.408 0 40 DEAB CCN1CCN(c2ccccc2NC(=O)c2ccccn2)CC1 45905666 UVBGXVLTYVQJDC-UHFFFAOYSA-N 310.401 2.476 0 40 DEAB CN(CC(=O)Nc1ccc(C(N)=O)cc1)[C@H]1CCc2ccccc21 29483070 PJZSMBGVDGGVDB-KRWDZBQOSA-N 323.396 2.343 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)N1CCOCC1 46264627 IFCZSZHOQCPNSK-ZIAGYGMSSA-N 323.462 2.315 0 40 DEAB O=C(Cc1cccc(F)c1)N1CCN(c2nccs2)CC1 12849949 DRLMRDAUBQPDCR-UHFFFAOYSA-N 305.378 2.174 0 40 DEAB Cc1cccc(NC2CCN(C(=O)Nc3cn[nH]c3)CC2)n1 72289006 XLBAYOVPOCTFJJ-UHFFFAOYSA-N 300.366 2.222 0 40 DEAB CSc1nc2ccc(NC(=O)CCNC(C)=O)cc2s1 3420504 DMTNPFOJPHTOER-UHFFFAOYSA-N 309.416 2.483 0 40 DEAB CC(C)N(C)c1cccc(NC(=O)N[C@@H](C)Cn2cncn2)c1 72281321 GRTDLOKEBAUCSA-ZDUSSCGKSA-N 316.409 2.333 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC[C@@H]2C)c1C 3479891 RWFGIRYKUBFPID-JTQLQIEISA-N 320.389 2.392 0 40 DEAB Cc1nc(C(=O)N2CCN([C@H](C)c3ccccc3F)CC2)c[nH]1 72282459 QJXHKRYXCZGCSF-GFCCVEGCSA-N 316.380 2.376 0 40 DEAB CC[C@H](COC)NC(=O)Nc1ccc(-c2nc(C)n[nH]2)cc1 72292034 JZXASDCCKSYKQL-GFCCVEGCSA-N 303.366 2.327 0 40 DEAB COc1ccc(Cl)cc1CC(=O)N1CC[C@](C)(C(=O)O)C1 62913555 VRXRQUNASPKIEN-HNNXBMFYSA-N 311.765 2.214 0 40 DEAB CNC[C@H]1CCN(C(=O)Cc2ccc(Br)cc2)C1 71143449 CJGNFSGBEUOJIH-GFCCVEGCSA-N 311.223 2.060 0 40 DEAB O=S1(=O)CC[C@H](NC(=S)SCc2cccc(F)c2)C1 4279562 VLQXMYFDXIEPIA-NSHDSACASA-N 319.448 2.121 0 40 DEAB Cc1ccc(-c2cc(C(=O)NCCn3ccnc3)n[nH]2)s1 65410856 HAGLHHVTXBBLPE-UHFFFAOYSA-N 301.375 2.073 0 40 DEAB CC(=O)NC1(C(=O)N(C)CCc2ccccn2)CCC(C)CC1 65467544 SMCAOSMSEHIGJQ-UHFFFAOYSA-N 317.433 2.168 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)c2ccco2)c1C 14073004 WJZVBDRHYXPFBH-UHFFFAOYSA-N 319.313 2.441 0 40 DEAB CC1(C)CN=C(SCc2nc3ccsc3c(=O)[nH]2)NC1 14162201 UXPOZZXVSGRAFF-UHFFFAOYSA-N 308.432 2.203 0 40 DEAB CCC(CC)NC(=O)COC(=O)Cc1ccc(OC)c(OC)c1 5665982 NGFFNJUGWUGTCG-UHFFFAOYSA-N 323.389 2.094 0 40 DEAB CCc1ccc(-n2cc(C(=O)NCc3ccncc3)nn2)cc1 67262137 AWPLKJDDMQEYEI-UHFFFAOYSA-N 307.357 2.155 0 40 DEAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C)n1C 7151470 KWKLAMQJISUGOD-JTQLQIEISA-N 320.418 2.060 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCc1ccccc1 67620012 WSWNCSBGFTVPOJ-MRXNPFEDSA-N 302.418 2.479 0 40 DEAB O=C(NCCCn1cccn1)c1cnc(-c2ccccc2)nc1 67708946 VRACOSHGVVPQFC-UHFFFAOYSA-N 307.357 2.160 0 40 DEAB O=C(N[C@@H](c1ccccc1)[C@H](O)c1ccccc1)[C@@H]1CCCN1 83433965 JVOUIFUIIPEWLM-OKZBNKHCSA-N 310.397 2.330 0 40 DEAB Cn1nc(NC(=O)Nc2ccccc2CO)c2ccccc2c1=O 8133022 JZRGVDRIMJDVQB-UHFFFAOYSA-N 324.340 2.070 0 40 DEAB C[C@H](NCc1ccc(-n2cncn2)c(F)c1)[C@H](C)n1cccn1 69351270 CWOBJPSMQZWYMV-STQMWFEESA-N 314.368 2.342 0 40 DEAB CCN(CC)S(=O)(=O)c1cc(NC(C)=O)ccc1Cl 8327538 ZZQGWBHDFGSATH-UHFFFAOYSA-N 304.799 2.329 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2)n1 8428581 GKWKVJHCZIAITR-CYBMUJFWSA-N 319.368 2.318 0 40 DEAB O=S(=O)(Nc1c(O)cccc1F)c1ccc(Cl)nc1 96427070 ORKJAAFOQVVJCJ-UHFFFAOYSA-N 302.714 2.381 0 40 DEAB COC(=O)[C@@H](NC(=O)N(C)C)c1ccc(Cl)cc1Cl 97086371 UFBUEPJYEMXJPL-JTQLQIEISA-N 305.161 2.479 0 40 DEAB C[C@@H](OCC1CC1)C(=O)NCCc1nc2cc(F)ccc2n1C 69696766 BNGTVOGSKNXBQS-LLVKDONJSA-N 319.380 2.186 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2CC(=O)Nc2ccncc2)c1 69706044 OJNZMUHNDTZYFL-INIZCTEOSA-N 313.405 2.080 0 40 DEAB CNC(=O)c1cc(OC)ccc1NC(=O)Cc1ccc(F)cc1 69737292 AXJYZECZUJPIQX-UHFFFAOYSA-N 316.332 2.375 0 40 DEAB CN(Cc1ccsc1)C(=O)CN1CCC[C@@H]1Cn1cccn1 69818225 YHJVRGAXVWWNPZ-OAHLLOKOSA-N 318.446 2.068 0 40 DEAB O=C(CN1CC[C@@H](c2cccc(F)c2)C1)NCc1ccccn1 69892744 NEFXAJJTBXVJHX-OAHLLOKOSA-N 313.376 2.326 0 40 DEAB CCOC(=O)C[C@H](c1ccc(O)cc1)c1c(O)cc(C)[nH]c1=O 72326088 KNDRFBLOGTVAGN-CYBMUJFWSA-N 317.341 2.180 0 40 DEAB biogenic C[C@@]1(CNC(=O)N[C@H](CO)Cc2ccccc2)CCCS1 95412603 MSZFGAAFGRJIEA-HOCLYGCPSA-N 308.447 2.175 0 40 DEAB CN1CC(=O)N(Cc2cnc(-c3ccc(Cl)cc3)nc2)C1=O 95414659 ARMVECZHLIRJKM-UHFFFAOYSA-N 316.748 2.191 0 40 DEAB COc1cc2c(cc1CNc1ncnc3[nH]cnc13)O[C@H](C)C2 95430820 RAUHKECARMXELA-SECBINFHSA-N 311.345 2.297 0 40 DEAB C[C@H](NC(=O)CC1CCCCC1)C(=O)N(C)C[C@H]1CCCO1 95940550 WEWAHYGGUOGMKL-DZGCQCFKSA-N 310.438 2.099 0 40 DEAB O[C@@]1(CN[C@H](Cc2ccncc2)C(F)(F)F)CCSC1 95968900 PKSGOSMYMVRSSZ-VXGBXAGGSA-N 306.353 2.013 0 40 DEAB COC(=O)[C@@H]1CN(Cc2ccc(F)c3cccnc23)C[C@@H](C)O1 89496936 VYOLUKPWHOHKMU-ABAIWWIYSA-N 318.348 2.136 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)n2cncn2)C12CCCCC2 75093091 NXUZFTYRIOCBBP-HZSPNIEDSA-N 306.410 2.083 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)s2)C1(C)C 75143295 OCRIWLOYUKNPLG-KGLIPLIRSA-N 324.446 2.318 0 40 DEAB CC(=O)N1CC[C@H](NCC2=Cc3ccccc3OC2)[C@H](C)C1 89937403 YYOXAHWGSFWBPW-DYVFJYSZSA-N 300.402 2.309 0 40 DEAB CN(C)c1nc(CNC(=O)NC[C@@]2(C)CCCS2)cs1 89919384 BYIRQMNINOENRK-CYBMUJFWSA-N 314.480 2.294 0 40 DEAB O=C(O)c1ccc(Cl)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 4190192 OOAQNSGOQMNMLB-XXHBBNRNSA-N 317.728 2.350 0 40 DEAB C[C@H](NC(=O)N1CCN(c2cnccn2)CC1)c1ccccc1 26146717 PLQCGAIOZJHEMW-AWEZNQCLSA-N 311.389 2.069 0 40 DEAB COc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 170343667 OHUGTNNENFLGCM-WFASDCNBSA-N 304.390 2.006 0 40 DEAB O=C(O)c1cn([C@@H]2C[C@H]2F)c2c(F)c(F)c(F)cc2c1=O 34169514 XCRXEUPAGNYDKC-HTRCEHHLSA-N 301.195 2.400 0 40 DEAB NC(=O)CCSc1nc(N)c2c3c(sc2n1)CCCC3 3851027 NABIWCAKMQSORE-UHFFFAOYSA-N 308.432 2.120 0 40 DEAB biogenic CSC[C@@H](C)C(=O)N1CCN([C@@H](C)c2cccnc2)CC1 79353474 DFNAMKZMNNKCIE-KGLIPLIRSA-N 307.463 2.286 0 40 DEAB CCc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227707 BPIQIQZHNQQPPO-ROUUACIJSA-N 324.380 2.435 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@@H](CCC(=O)O)C1 70463090 COZYNQYWJHJZAA-ZDUSSCGKSA-N 311.403 2.261 0 40 DEAB CC[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)Oc1ccccc1C 183319340 ZOYMJQWQNYESBO-CABCVRRESA-N 311.447 2.319 0 40 DEAB C[C@H](C(N)=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 78611042 ADHJGXZTYGYBBY-KRTXAFLBSA-N 321.179 2.380 0 40 DEAB O=C(OCCc1cccs1)c1cn(Cc2cccnc2)nn1 76904466 UYUBUEMFKRCDCM-UHFFFAOYSA-N 314.370 2.182 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CCO1 43701594 HJABPKRFDPVPAT-JTQLQIEISA-N 322.119 2.058 0 40 DEAB 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Cc1nn(C)cc1CCC(=O)Nc1ccc(/C=C/C(=O)O)cc1 96480412 UATVSLCAFFXHJU-BJMVGYQFSA-N 313.357 2.398 0 40 DEAB Clc1cnccc1NC[C@@]1(N2CCOCC2)CCSC1 96454003 WKLXDZSWUIXDBY-AWEZNQCLSA-N 313.854 2.355 0 40 DEAB O=C(CC1CC1)N[C@@H]1CN(Cc2ccco2)C[C@@H]2CCCO[C@@H]21 96057121 MHGLFMIQZXIUAE-LESCRADOSA-N 318.417 2.175 0 40 DEAB Cc1nn(C)c(NC(=O)[C@H](C)N2CCc3ccccc3C2)c1C 96412394 IQWDUVNHIXIGQA-AWEZNQCLSA-N 312.417 2.422 0 40 DEAB CC1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CCN3CC3CC3)O2)CC1 96057544 SYNNTTSTHGKAMB-BRWVUGGUSA-N 306.450 2.277 0 40 DEAB CNC[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1Cl 97234996 MFKQZWKWBPQLCL-NSHDSACASA-N 302.827 2.021 0 40 DEAB CCO[C@@H]1CCOC2(C1)CN(C(=O)Cc1ccc(OC)cc1)C2 247928923 RCSKTSDXKHUGMI-MRXNPFEDSA-N 319.401 2.034 0 40 DEAB CNc1cc(C)nc([C@H]2CCN(S(=O)(=O)C3CCCC3)C2)c1 257258371 KTOQFHDYEFSLAF-ZDUSSCGKSA-N 323.462 2.493 0 40 DEAB Cc1cc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)no1 257284712 PDXRLGAFNNKNPG-ZDUSSCGKSA-N 300.362 2.119 0 40 DEAB Cc1cncc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c1 257211575 BZKCEDNJVJIRGY-OAHLLOKOSA-N 312.373 2.352 0 40 DEAB O=C(c1cc(F)ccc1F)N1CCC2(CC1)OCCC[C@H]2O 257235383 GXPMZHZYDCHLCC-CQSZACIVSA-N 311.328 2.111 0 40 DEAB O=C(N1CCC2(CC1)C[C@@H](N1CCCC1)CO2)C1(F)CCC1 585100008 RQZGMWDCVYZYAB-CQSZACIVSA-N 310.413 2.125 0 40 DEAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc2[nH]c(=O)[nH]c2c1 44976496 FTXUAJBOLNBJKJ-ZCFIWIBFSA-N 304.741 2.055 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(N2CCCC2)nc1 48086351 RJKYVAIMWPWDCI-UHFFFAOYSA-N 314.393 2.079 0 40 DEAB CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2O)C1 51443458 UGCHMCTXFMXIHK-CYBMUJFWSA-N 304.390 2.079 0 40 DEAB O=C(CCC(=O)N1CCc2sccc2C1)NCC1CCC1 55323089 HAMSGMDJUIAJOX-UHFFFAOYSA-N 306.431 2.329 0 40 DEAB O=C1NCCC[C@@H]1N1CC(n2c(C3CC3)nc3ccccc32)C1 1776007998 QZKMEKAYQWQSPN-INIZCTEOSA-N 310.401 2.049 0 40 DEAB CC[C@@H](C)[C@H](C)NC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1 87898764 MQKNCEBTZGFFJS-SKDRFNHKSA-N 312.435 2.115 0 40 DEAB CCc1cnc(C(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)s1 97115736 SRBLQAOUUSITQI-RISCZKNCSA-N 304.415 2.427 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@H](NCc3cncs3)C2)nc1C 97372875 WSRROCBPCWPTJJ-ZFWWWQNUSA-N 316.430 2.159 0 40 DEAB O=C(c1ccc2nsnc2c1)N1CCCN(C2CCC2)CC1 828168683 KWENAZOIBMFRPK-UHFFFAOYSA-N 316.430 2.392 0 40 DEAB CC[C@@H](C)NC(=O)Cn1cccc2cc([C@@H]3CCCNC3)nc1-2 12241869 VXABRGGIUDEMJK-UKRRQHHQSA-N 314.433 2.370 0 40 DEAB O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(=O)[nH]c2ccccc12 16045227 GUQPGHLKESXWAY-UHFFFAOYSA-N 304.309 2.079 0 40 DEAB Cn1cc(CN2CCC[C@H](O)[C@@H]2Cc2cccc(F)c2)cn1 643914688 WPXPQUQGHRTZAM-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB CS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1ccc(Cl)cc1 13793865 FBXVPVKBMLOPAH-GFCCVEGCSA-N 316.810 2.093 0 40 DEAB CCc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1OC 5391249 VXOKGFCGWLMHRS-UHFFFAOYSA-N 318.329 2.350 0 40 DEAB Brc1csc(CNCc2nnc3n2CCC3)c1 30653060 ATANYIJKJWKTBR-UHFFFAOYSA-N 313.224 2.338 0 40 DEAB O=C(NCCc1ccccn1)[C@H]1Cc2cc(Cl)ccc2O1 32657100 QURWPSCUBNJWLX-OAHLLOKOSA-N 302.761 2.397 0 40 DEAB COc1cc(C(=O)N2CCC([C@H]3CCCCN3C)CC2)on1 1614928983 VGHYNNCQDRWXTI-CYBMUJFWSA-N 307.394 2.020 0 40 DEAB Cc1ccc(C)c2sc(NC(=O)CN3C(=O)CCC3=O)nc12 4325389 IZENUXGYBNAYHH-UHFFFAOYSA-N 317.370 2.001 0 40 DEAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccccc1 5339194 XIFNTVNYBGFVPA-UHFFFAOYSA-N 316.382 2.479 0 40 DEAB CC(=O)Oc1cccc(NC(=O)CSc2nccn2C)c1 12364660 DUWJAFTUFALMNK-UHFFFAOYSA-N 305.359 2.076 0 40 DEAB CCN(C)[C@H](C(=O)Nc1ccnc2ccnn12)c1ccccc1 96411707 AYLDMEXCXRSABR-INIZCTEOSA-N 309.373 2.361 0 40 DEAB Cc1cc(CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)on1 50612642 NDZVNGCCOUCVQF-CYBMUJFWSA-N 323.393 2.389 0 40 DEAB O=C(c1cccnc1OCC(F)(F)F)N1CCSCC1 40542252 GMUKBBPMEJNSSI-UHFFFAOYSA-N 306.309 2.212 0 40 DEAB Cc1ccc(CNS(=O)(=O)c2cccc3nonc23)cc1 215283 YBVPWMKCPYKTMS-UHFFFAOYSA-N 303.343 2.010 0 40 DEAB CC(C)CN1CCO[C@@H](CNC(=O)c2cc3c(s2)CCC3)C1 32268681 VMTDFNUCSNDDNL-AWEZNQCLSA-N 322.474 2.323 0 40 DEAB CC1=NN(C(=O)CCc2ccccc2O)[C@](O)(C(F)(F)F)C1 814215 QAMLFHUAOAAVML-CYBMUJFWSA-N 316.279 2.184 0 40 DEAB COc1cc(C2(C(=O)N3C[C@@H](N(C)C)[C@H](C)C3)CC2)ccc1C 78895110 GRJOWQDFRNPMKM-GDBMZVCRSA-N 316.445 2.444 0 40 DEAB Cc1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)c(C)n1 53448152 JDNPLHGWWCMDAY-UHFFFAOYSA-N 300.362 2.410 0 40 DEAB CCOC(=O)c1sc(=O)[nH]c1-c1ccc(OC)c(OC)c1 4294194 UXMXGLYGUCLHIU-UHFFFAOYSA-N 309.343 2.297 0 40 DEAB COc1ccc(F)cc1C(=O)Cn1nnc(-c2ccccc2)n1 4549145 SQKNVZJQUPOVSW-UHFFFAOYSA-N 312.304 2.371 0 40 DEAB Cc1cccc(C(=O)N[C@@H](C(=O)NC[C@@H]2CCCO2)C(C)C)c1 22835904 BZSAQUUVHDAVIZ-JKSUJKDBSA-N 318.417 2.045 0 40 DEAB Cc1ncc(Cl)c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 72297139 FMOUUTMUKIAGPY-SNVBAGLBSA-N 305.769 2.181 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2cccc(C)n2)c1 6968600 XMGRDBADZIBUBS-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB O=C(CN1CCOCC1)Nc1ccc(N2CCCCCC2)cc1 23695889 BLATUBFDPSUVJH-UHFFFAOYSA-N 317.433 2.338 0 40 DEAB C[C@@H]1CN(C)CC[C@H]1NC(=O)C(F)(F)c1ccc(F)cc1 106578299 AUIQXCSJPFLOBT-ZWNOBZJWSA-N 300.324 2.374 0 40 DEAB O=C1NC2(CCN(C(=O)C3CC3)CC2)Nc2cc(Cl)ccc21 34811843 HKAQZGJMVXMHLG-UHFFFAOYSA-N 319.792 2.224 0 40 DEAB CC1=NCCNC2=C1[C@H](c1cccnc1)N(c1ccccc1)C2=O 1404962 MGIRQMQOVWUCIH-SFHVURJKSA-N 318.380 2.488 0 40 DEAB COc1cccc(-n2cnn(CN3CCO[C@@H](C)C3)c2=S)c1 12543961 HCQPGWIUSGTJOX-LBPRGKRZSA-N 320.418 2.090 0 40 DEAB COC(=O)C1(NC(=O)COc2ccccc2OC)CCCCC1 25169160 FHABMVCWORLQDC-UHFFFAOYSA-N 321.373 2.066 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1ncoc1C(C)C 102729123 WJOZJMWSUZJZMI-BJDJZHNGSA-N 306.362 2.116 0 40 DEAB O=C(NCc1ccccc1F)c1cn(-c2cccc(F)c2)nn1 44167893 UZOZXTMOTMOMQI-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB NC(=O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 26535715 SPWOCVZVBZLHBS-UHFFFAOYSA-N 316.332 2.423 0 40 DEAB Cc1ccc(C(=O)NCCCN2CCCCCC2=O)c(O)c1 57676791 ZPSMUXNHXGBZCO-UHFFFAOYSA-N 304.390 2.223 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCN(C)C(=O)C1 44341501 WKCFILLWUZEJIX-AAEUAGOBSA-N 306.431 2.452 0 40 DEAB O=C(OCC(=O)N1CCCC1)c1cc(F)c(F)cc1Cl 3271221 VKENLBWGTOQAIH-UHFFFAOYSA-N 303.692 2.397 0 40 DEAB O=C1CCC(=O)N1C[C@H](O)Cn1c2ccccc2c2ccccc21 3210299 OATZSTHAVJCZLA-CYBMUJFWSA-N 322.364 2.304 0 40 DEAB CN(C)[C@@H](CNCc1cnc(N2CCCC2)nc1)c1ccco1 58245499 ULBVEISVEOKJRS-HNNXBMFYSA-N 315.421 2.062 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(C)o1 58265497 BGWVIGQSAOBOJS-NSHDSACASA-N 323.370 2.414 0 40 DEAB O=C(N[C@@H]1CCN(CC(F)(F)F)C1)N1C[C@H]2CC=CC[C@@H]2C1 110648160 XBNGIMMHAJXZRV-JHJVBQTASA-N 317.355 2.231 0 40 DEAB Cc1ncc2c(n1)CCN(Cc1nnc(-c3ccccc3)o1)C2 44937812 YGMZXYXSWKRLRS-UHFFFAOYSA-N 307.357 2.393 0 40 DEAB CN(CCO)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 100178150 QNKSAUBJVRVBBX-IYBDPMFKSA-N 306.406 2.148 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)s1 28693143 LMXLYPUAFDLUDV-UHFFFAOYSA-N 301.415 2.410 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)nc2)no1 46197944 JASDLFZIRJVPJY-AWEZNQCLSA-N 300.362 2.421 0 40 DEAB Cc1nn2c(=O)cc(CN(C)Cc3sccc3C)nc2s1 48331526 PMISMSZMNBCHDO-UHFFFAOYSA-N 320.443 2.461 0 40 DEAB COc1cc2c(cc1OC)CN(CN1CCSC1=O)CC2 12809140 CVUMZBKAFLBZBV-UHFFFAOYSA-N 308.403 2.188 0 40 DEAB Cc1sc(=O)n(CC(=O)NCc2cccc(Cl)c2)c1C 49122200 OFFBHGIXQSUHEM-UHFFFAOYSA-N 310.806 2.496 0 40 DEAB Cn1cnc(-c2ccc(NC(=O)C[C@@H]3CCCCO3)cc2)n1 97140527 WMBUWLQVBKMMJS-AWEZNQCLSA-N 300.362 2.380 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12 4295728 QHENUKIWYFERAK-XJKSGUPXSA-N 314.366 2.166 0 40 DEAB CC(C)(CC(=O)O)CC(=O)N1CCN(c2ccccc2)CC1 4675234 WTUFKFOOUNUSPG-UHFFFAOYSA-N 304.390 2.226 0 40 DEAB O=C1c2ccccc2C(=O)N1CCC(=O)n1cnc2ccccc21 5604728 SFWBUMUUXWAMDX-UHFFFAOYSA-N 319.320 2.363 0 40 DEAB CCCC(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 5781681 OPPJLGZJBLMQLQ-UHFFFAOYSA-N 324.402 2.008 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)n[nH]2)cc1 4817035 CIBVOUXPGQQYRW-VIFPVBQESA-N 304.375 2.435 0 40 DEAB Cc1nc(COC(=O)c2n[nH]c(=O)c3ccccc23)cs1 7123467 QMUCCSKSNGFHRE-UHFFFAOYSA-N 301.327 2.045 0 40 DEAB CCOc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 7639383 JVAHAVJHRQXWQT-XJKSGUPXSA-N 320.414 2.478 0 40 DEAB Cc1c(CN(C)CC(=O)NC2CC2)noc1-c1ccc(F)cc1 7793773 UENIRLWSBGUHDN-UHFFFAOYSA-N 317.364 2.500 0 40 DEAB O=c1c(Cl)c(N2CCC[C@H](CO)C2)cnn1-c1ccccc1 8177868 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321.427 2.152 0 40 DEAB c1ccc(CNc2ncnc3c2cnn3-c2ccccn2)nc1 41529434 IBSNCFFBYKQBIV-UHFFFAOYSA-N 303.329 2.218 0 40 DEAB Cc1cc([C@@H](C)N2CCC[C@H](n3ccnn3)C2)oc1C(=O)O 575188411 XLNWBJUXAVGKRQ-NEPJUHHUSA-N 304.350 2.276 0 40 DEAB COc1cc([C@H](C)NC(=O)NC[C@@H]2CC[C@H](O)C2)ccc1F 225587651 FFRUMSCCEJGDRM-LOWVWBTDSA-N 310.369 2.356 0 40 DEAB Cc1cc(C)c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 225676320 DQZFMEXFYVAOGQ-CRWXNKLISA-N 301.342 2.205 0 40 DEAB C[C@@H](NC(=O)C(C)(C)COCc1ccccc1)c1ncon1 225735873 DWYGYEXSIQRXMK-GFCCVEGCSA-N 303.362 2.490 0 40 DEAB COc1cc(NCC(C)(C)C)ccc1S(=O)(=O)N(C)C 195556562 CJKMPZMTINNGEA-UHFFFAOYSA-N 300.424 2.404 0 40 DEAB O=C(N[C@H]1C[C@@]12CCOc1ccccc12)[C@@H](O)c1ccccc1 195547535 QQMGNLCWBRDPSN-JENIJYKNSA-N 309.365 2.329 0 40 DEAB CC(C)(C)[C@]1(C)NC(=O)N(Cc2noc(-c3ccoc3)n2)C1=O 225579371 VPNIMEGSRZRRBJ-OAHLLOKOSA-N 318.333 2.186 0 40 DEAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2OC)CC1 199402603 VYKVDTJHEDSJER-CQSZACIVSA-N 320.433 2.058 0 40 DEAB 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2.151 0 40 DEAB CSCC[C@@H](C)NS(=O)(=O)Cc1noc2ccccc12 95940439 LYXBNKMGZCPQHO-SNVBAGLBSA-N 314.432 2.389 0 40 DEAB CSCC[C@H](O)CNS(=O)(=O)c1ccc(C)c(Cl)c1 1775967496 UERLZUWCTBFINO-JTQLQIEISA-N 323.867 2.041 0 40 DEAB CCN(CCO)c1nc2sc3c(c2c2ncnn12)CCCC3 5562886 XMEKHQRGCJVGLQ-UHFFFAOYSA-N 317.418 2.036 0 40 DEAB O=C(c1c(F)cccc1F)N1CCC(O)(c2ccccn2)CC1 13267841 STWNQSDHZBGNOG-UHFFFAOYSA-N 318.323 2.484 0 40 DEAB O=C(COC(=O)CCC(=O)c1cccs1)NC1CCCC1 3315620 QWQFWPVOXJHHMF-UHFFFAOYSA-N 309.387 2.313 0 40 DEAB CCc1c(C)ncnc1N1CCN(c2nc(C)cc(C)n2)CC1 1888842973 VYWXSTRTSOAEQA-UHFFFAOYSA-N 312.421 2.081 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)c1 63194059 MUIQAHAXDLVVDL-YPMHNXCESA-N 300.399 2.025 0 40 DEAB CSCC[C@H](O)CNC(=O)NCc1ccc(Cl)cc1 1775967332 MSJPZIYEVQTQOM-LBPRGKRZSA-N 302.827 2.253 0 40 DEAB Cc1nnc(N2CCC(C(=O)NC3CC3)CC2)c2ccccc12 2086854690 URELOJYTAZVZLY-UHFFFAOYSA-N 310.401 2.433 0 40 DEAB CN(C)c1ccc([C@H](O)CNC(=O)c2c(F)cccc2F)cc1 90611687 HKUJEKDTZHXCKX-OAHLLOKOSA-N 320.339 2.494 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c(F)c1 96490142 BDWRYASFRHYBCX-ZDUSSCGKSA-N 304.325 2.320 0 40 DEAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1nc2ccccc2s1 24161626 XYIBLWJPPDWPDM-CQSZACIVSA-N 319.411 2.224 0 40 DEAB O=C(CCOc1ccccc1Cl)NCCCN1CCCC1=O 40087823 QBEDZQQYVMFZJW-UHFFFAOYSA-N 324.808 2.238 0 40 DEAB CC(=O)c1ccc(C(=O)NCc2nnc3n2CCCCC3)s1 40489059 MBMRAALQFDXSTQ-UHFFFAOYSA-N 318.402 2.199 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)[C@@H](C)OCC(F)(F)F)cc12 31717356 CNXOGDGNYMSQPW-MRVPVSSYSA-N 316.283 2.183 0 40 DEAB C[C@@H](C(=O)N(C)Cc1ccccc1N1CCCC1)n1cncn1 40521013 QIDKVKZIZACMIV-AWEZNQCLSA-N 313.405 2.098 0 40 DEAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101184735 BACVXVJEIMVFFX-KRRFLWISSA-N 321.760 2.485 0 40 DEAB O=C(NCCc1cccnc1)c1cc(Cl)c2c(c1)OCO2 32348841 ALOMLBFTBPSOGK-UHFFFAOYSA-N 304.733 2.436 0 40 DEAB COC(=O)Cc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 32808912 WXRRAAJGKAXNSZ-UHFFFAOYSA-N 302.355 2.410 0 40 DEAB CN(Cc1ccco1)C(=O)CCn1ncc(=O)c2ccccc21 32820201 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28415151 CUQVDRAQAZBNPM-UHFFFAOYSA-N 322.311 2.259 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc(F)cc(F)c1 59930732 ZPGPUJALTONDDG-CQSZACIVSA-N 305.280 2.391 0 40 DEAB CN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(Cl)c1 59994687 IKZPYONLRJQVQB-UHFFFAOYSA-N 308.687 2.091 0 40 DEAB Cc1nc(C2(NC(=O)c3noc4c3CCCCC4)CCC2)no1 97103001 NLINXRYJPNMAPR-UHFFFAOYSA-N 316.361 2.444 0 40 DEAB CC(C)(C)[C@H]1CCc2sc(C(=O)N3CCNC(=O)C3)cc2C1 12811257 BAZXCELTJCRZGX-LBPRGKRZSA-N 320.458 2.471 0 40 DEAB Cc1ccc2ncc(CN[C@@H](C(N)=O)c3ccc(F)cc3)n2c1 97380126 HKUMRJLJGANOMY-MRXNPFEDSA-N 312.348 2.098 0 40 DEAB Cc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1 3649395 IMHAATYSSGILPR-LCYFTJDESA-N 309.350 2.267 0 40 DEAB CCCCn1nnnc1CSc1nnc(-c2ccc[nH]2)o1 19357510 MPTWZFREDZCXLP-UHFFFAOYSA-N 305.367 2.144 0 40 DEAB CCc1sc(C(=O)NCC(C)(C)N2CCOCC2)cc1C 13013026 DTVYVBRWNRAMMH-UHFFFAOYSA-N 310.463 2.460 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](n2cccn2)C1 65608549 IESSLJAGXHRHJF-WFASDCNBSA-N 315.421 2.201 0 40 DEAB COC(=O)C1(NC(=O)Nc2cc(-n3cccc3)ccc2F)CC1 96010568 GQCDSTRPKWCZSE-UHFFFAOYSA-N 317.320 2.444 0 40 DEAB O=C(CCNS(=O)(=O)c1ccccc1)Nc1ccc(F)cc1 4942438 GAWRMFMCDOCAGC-UHFFFAOYSA-N 322.361 2.133 0 40 DEAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccn(C)n1 69739630 WNLRKPQQDWDRRW-AWEZNQCLSA-N 315.377 2.205 0 40 DEAB Cc1ccc(-c2noc(CN3CCC[C@H](C(=O)O)C3)n2)cc1 70458604 ZWQPXEXDKPDTLB-ZDUSSCGKSA-N 301.346 2.342 0 40 DEAB COC(=O)c1cc(CNC(=O)[C@@H]2CC=CCC2)ccc1OC 18060225 QWULFVZRZAUJQA-CYBMUJFWSA-N 303.358 2.454 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)Nc1cccnc1 71876732 ATHOLVAUBUTYRN-HNNXBMFYSA-N 313.405 2.208 0 40 DEAB Cc1ccoc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 69968833 UMXZOAVRMCYRAH-INIZCTEOSA-N 314.385 2.079 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 69928119 CTIOJOLNQOZPDV-AWEZNQCLSA-N 300.406 2.260 0 40 DEAB CCCN(C(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 8734875 GBLJFKTWVYLDIF-CYBMUJFWSA-N 314.382 2.257 0 40 DEAB Cc1cccc([C@@H](C)CNC(=O)N(C)CCN2CCCC2=O)c1 97058275 HKITUCARCHQZQQ-HNNXBMFYSA-N 317.433 2.362 0 40 DEAB Cc1ccn(C)c(=O)c1NC(=O)Cc1ccc(O)cc1Cl 97059719 DQWPRLJBLYPUSK-UHFFFAOYSA-N 306.749 2.234 0 40 DEAB Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)n(C)n1 95424412 MHPLQUPAVJWGRZ-GFCCVEGCSA-N 315.373 2.092 0 40 DEAB C[S@](=O)c1cccc(NC(=O)NCCc2cscn2)c1 95973938 KSLRYPVCSGXVFP-HXUWFJFHSA-N 309.416 2.245 0 40 DEAB CC(C)c1cc(CNC(=O)N[C@H](CO)c2ccccc2)on1 95995042 QFRLRQHQKSPKHU-OAHLLOKOSA-N 303.362 2.331 0 40 DEAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N1CC[C@H](N)C1 95971825 FDSPTXVTTSTNBY-ZDUSSCGKSA-N 312.417 2.343 0 40 DEAB C[C@@H](CN(C)C(=O)c1cc2c(s1)CCCCC2)c1nnn[nH]1 95939710 HEGAZPAQBVFUGV-JTQLQIEISA-N 319.434 2.406 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)n1 89721058 QWUQUEBWFRWQHK-LLVKDONJSA-N 322.315 2.271 0 40 DEAB CC(C)Cc1nc(CNc2ccccc2SCC(N)=O)no1 89856553 YZULRTIDQXLJFI-UHFFFAOYSA-N 320.418 2.458 0 40 DEAB Cc1ccc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)cc1 75498092 KKSINAVRVCMQKW-OAHLLOKOSA-N 303.406 2.181 0 40 DEAB OCc1ccnc(N2CCC(c3nc4c(s3)CCC4)CC2)n1 1548453600 WNHMGLNMONPHJY-UHFFFAOYSA-N 316.430 2.298 0 40 DEAB Cc1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 22195165 OAJXLUVDYFYOQU-CYBMUJFWSA-N 317.414 2.417 0 40 DEAB CCOC(=O)CCN1CCN(C2C3CC4CC(C3)CC2C4)CC1 20123471 OKQGSGYIVICWTO-UHFFFAOYSA-N 320.477 2.382 0 40 DEAB CCN1C(=O)S/C(=C\c2cc3c(cc2OC)OCO3)C1=O 409052528 UNXGUTAEVUJCJN-XGICHPGQSA-N 307.327 2.480 0 40 DEAB CCc1oc2ccccc2c1CC(=O)N[C@H]1CCC(=O)N[C@H]1C 529274668 HXOKPZXOJZMNIG-FZMZJTMJSA-N 314.385 2.321 0 40 DEAB CO[C@H]1CC[C@@H](NC(=O)Nc2cnn(Cc3ccccn3)c2)C1 189698612 AOILPNUPNPGYTD-DOMZBBRYSA-N 315.377 2.015 0 40 DEAB CC(C)OCCCN1C(=O)N(C)c2ccccc2S1(=O)=O 521395028 SCYLJOVZJWPJQW-UHFFFAOYSA-N 312.391 2.062 0 40 DEAB Cn1ccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1=O 76918444 KXXVUPDSJSLPQF-ZIAGYGMSSA-N 302.761 2.325 0 40 DEAB CNc1cc([C@H]2CN(C(=O)c3ccccc3)CCO2)nc(C)n1 72387788 XBPCEXGUZXBWPD-OAHLLOKOSA-N 312.373 2.040 0 40 DEAB COc1cc(CNC(C)(C)C)c(Cl)cc1OCC(N)=O 36612311 PMKVEEHSKXABDN-UHFFFAOYSA-N 300.786 2.101 0 40 DEAB CC(=O)Nc1cccc(OCc2ncc(C(=O)O)c(C)n2)c1 217397570 PEOVUPAWZBSHIY-UHFFFAOYSA-N 301.302 2.021 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCc2cccc(OC)c2)c1C 72239088 YBINIBHSZAPUFF-UHFFFAOYSA-N 323.418 2.007 0 40 DEAB Cc1nn(C)c(C)c1CCCNC(=O)c1c(O)cccc1F 131355919 BHHCBXXVNCBXMA-UHFFFAOYSA-N 305.353 2.244 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)[C@@H](C)n1nc(C)cc1C 88268796 AJCNHTAUCWLCBP-ILXRZTDVSA-N 321.421 2.299 0 40 DEAB CCn1ccnc1[C@@H](NC(=O)c1cc(C)no1)C1CCOCC1 573580464 JMBZNLFMMWOCHK-AWEZNQCLSA-N 318.377 2.097 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 41122270 DFXOPLYRFDRXNZ-LBPRGKRZSA-N 315.329 2.127 0 40 DEAB COc1ccc(C(=O)N2CCC3(CC2)C[C@@H](OC)CO3)cc1F 96106555 MESWCDCLWODATO-CYBMUJFWSA-N 323.364 2.244 0 40 DEAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccncc4)C[C@H]3O2)n1 96058245 RLXQQJZWSYBYCD-SOUVJXGZSA-N 300.362 2.125 0 40 DEAB CCN(C)c1ncnc2c1CCN(C(=O)c1ccoc1C)CC2 96058802 BESUQXKHVSGFLH-UHFFFAOYSA-N 314.389 2.075 0 40 DEAB CCOc1ccc(CNC(=O)N2CCC[C@@]2(C)CO)cc1C 97102929 JMHKSEIYPWCESD-KRWDZBQOSA-N 306.406 2.450 0 40 DEAB O=C(c1cccs1)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053830 CAUOMKYEGRQVSW-ZIAGYGMSSA-N 313.426 2.347 0 40 DEAB C[C@@H]1C[C@H](N(C)CCS(C)(=O)=O)CCN1Cc1ccccc1 96414944 LAUZNIWSDPQBLC-NVXWUHKLSA-N 324.490 2.016 0 40 DEAB OCCN1CCC[C@H]1c1ccc(I)cc1 95407301 ZRSCDBDVNAQZOR-LBPRGKRZSA-N 317.170 2.420 0 40 DEAB CCn1nnnc1-c1cccc(NC(=O)c2scnc2C)c1 96413948 KJUFGGMNFVNVRI-UHFFFAOYSA-N 314.374 2.377 0 40 DEAB O=C(CCc1ccc(Cl)s1)NC[C@@]1(O)CCSC1 96446898 JYRDOTLCNOBCGU-LBPRGKRZSA-N 305.852 2.318 0 40 DEAB CN1CCC[C@@H](NC(=O)[C@H]2CC(c3ccc(Cl)cc3)=NO2)C1 248138922 PNVVYSSGQSRTLM-UKRRQHHQSA-N 321.808 2.043 0 40 DEAB O=S(=O)(c1ccccc1F)N1CCC[C@H](Cc2ccn[nH]2)C1 257251603 JRKYHOQVRFCVFX-GFCCVEGCSA-N 323.393 2.192 0 40 DEAB O=C(c1c[nH]cn1)N1CCC[C@@H]2[C@H]1CCCCN2CC1CC1 257275551 NPVXYTQMCKFAAY-HZPDHXFCSA-N 302.422 2.279 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)c2coc(C)n2)nc(C)n1 257302235 SCAYQLUPMFBTBP-ZDUSSCGKSA-N 301.350 2.100 0 40 DEAB CCC(CC)N1CC[C@H](O)[C@@](O)(COc2cccc(C)c2)C1 585281755 AMVLSTNIDMSDII-ROUUACIJSA-N 307.434 2.360 0 40 DEAB COCc1csc(NC(=O)c2cc3ccccc3c(=O)[nH]2)n1 72286098 MJBLUJCEUOBTDY-UHFFFAOYSA-N 315.354 2.383 0 40 DEAB O=C1NCCCC12CCN(Cc1cnc3ccccc3n1)CC2 72393750 VMAGPHXBMCKBNS-UHFFFAOYSA-N 310.401 2.122 0 40 DEAB COc1cc([C@@H](C)NC(=O)NCC(F)F)cc(OC)c1OC 73671952 SYNKXDMXGLQIMC-MRVPVSSYSA-N 318.320 2.338 0 40 DEAB O=C(C1CC1)N1CCC[C@H](c2nc(O)cc(-c3ccncc3)n2)C1 13268221 ZRBJQLMXQIHWOJ-AWEZNQCLSA-N 324.384 2.360 0 40 DEAB COc1ccc(C(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)cc1 13434737 IDXLPKZJACFSNM-HNNXBMFYSA-N 313.309 2.188 0 40 DEAB COc1nccnc1O[C@H]1CCN(C(=O)CC2CCCCC2)C1 225806695 ZQWMPCPKWCKTAH-AWEZNQCLSA-N 319.405 2.435 0 40 DEAB COC(=O)c1ccc([C@H]2N=C(N)Nc3nc4ccccc4n32)cc1 5986099 KSGMHHIJFZWFEJ-AWEZNQCLSA-N 321.340 2.110 0 40 DEAB O=C(NCCN1CCc2ccccc2C1)c1cc(C2CC2)ncn1 1888859485 CJYOPKALHWNHHB-UHFFFAOYSA-N 322.412 2.142 0 40 DEAB Cc1ccnc(N2CCN(Cc3ccncc3F)[C@H](C)C2)n1 2086864677 PNIVAPGJXQWZLH-CYBMUJFWSA-N 301.369 2.030 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H]3CN(C(C)C)CCO[C@@H]3C2)o1 1565546778 KENVZNZTNYEHLZ-GOEBONIOSA-N 306.406 2.159 0 40 DEAB O=S(=O)(NCCn1cc(-c2ccco2)cn1)c1cccs1 575614692 BHFLSAOKJJIGIM-UHFFFAOYSA-N 323.399 2.183 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 13638744 DSBHZWXDYCUBBW-UHFFFAOYSA-N 310.375 2.074 0 40 DEAB COc1ncccc1CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1 31320828 WINQUIYFDPZZFL-CQSZACIVSA-N 318.760 2.364 0 40 DEAB O=C(NOCc1ccccc1)c1ccc(N2C(=O)CCC2=O)cc1 31615899 VWNPHGNDDWNRKU-UHFFFAOYSA-N 324.336 2.202 0 40 DEAB CNC[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1 40598167 KYAGBYGSBXRDKS-SNVBAGLBSA-N 320.817 2.099 0 40 DEAB CCOc1ncccc1C(=O)NC[C@@H](C)Cn1nc(C)cc1C 40541168 PQEWZRHUVNNNBF-GFCCVEGCSA-N 316.405 2.360 0 40 DEAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)c1cccc(F)c1)C2=O 51258789 XTBFFDKQFKYEHR-HYSWKAIVSA-N 320.364 2.360 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C)s3)cn2)n1 32833304 ODXYBQRQEWUMJP-UHFFFAOYSA-N 314.374 2.296 0 40 DEAB C[C@@H]1CCC[C@H](OCC(=O)NCCN(C)CC(F)(F)F)C1 95396007 CRYPVQCNYUIIMG-NEPJUHHUSA-N 310.360 2.192 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)N1CCO[C@@H]2CCCC[C@H]21 46494758 VHACIQQPCUUYTD-HUUCEWRRSA-N 317.385 2.170 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)c(=O)[nH]1 95435136 FNOAAMCVOITKAM-SNVBAGLBSA-N 304.371 2.136 0 40 DEAB O=C1O[C@H](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc21 79315045 HZICXAGCGIJXSW-ARFHVFGLSA-N 315.369 2.458 0 40 DEAB Cc1cccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)c1 6055549 JOIQLUKUFZHTCS-AWEZNQCLSA-N 302.330 2.160 0 40 DEAB O=C(O)CCCCNS(=O)(=O)c1ccc(F)c(Cl)c1 6505555 HCGNMUKNKIHMKN-UHFFFAOYSA-N 309.746 2.012 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CSc2ncccn2)cc1 6781157 IINKMOCETYOHPR-UHFFFAOYSA-N 302.359 2.166 0 40 DEAB C[C@H](C1CC1)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 60977001 UCJAAJCWUBODRU-GFCCVEGCSA-N 312.435 2.294 0 40 DEAB CC[C@@H](CNC(=O)N1CCC[C@@H]1CO)Oc1cccc(F)c1 84644971 LUEMXJOPPSMUDG-KGLIPLIRSA-N 310.369 2.149 0 40 DEAB Cc1cc(N2CCN(C(=O)c3ccc(C)s3)CC2)nc(C)n1 54838682 SBYJITCFKVWWKZ-UHFFFAOYSA-N 316.430 2.426 0 40 DEAB CC(C)(C)c1csc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)n1 102166641 RUQGRUXMYOOQJC-UUTMEEIUSA-N 324.402 2.257 0 40 DEAB NC(=O)COc1cccc(C(=O)NCc2ccc(Cl)s2)c1 25527195 OAIIUPFNDCMKJU-UHFFFAOYSA-N 324.789 2.196 0 40 DEAB COc1ccc(CCC(=O)Nc2ccn(C)n2)c(OC)c1OC 55049083 AUYXKJQAFRXVMF-UHFFFAOYSA-N 319.361 2.017 0 40 DEAB COCCOc1ccc(NC(=O)NCCc2ccccn2)cc1 44301401 INADYVTTWZFQNR-UHFFFAOYSA-N 315.373 2.471 0 40 DEAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(O)c1CCc1ccccc1 101449753 BHZMCMOFSUNPTF-AWEZNQCLSA-N 320.414 2.042 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)Cn2ccnc2)cc1F 48176742 GPMJNEJSPBBPDZ-NWDGAFQWSA-N 320.368 2.480 0 40 DEAB COC(=O)[C@H]1CN(C(=O)[C@@H]2CC=CCC2)c2ccccc2O1 44866271 JFKNMDBGTUBNMA-IUODEOHRSA-N 301.342 2.310 0 40 DEAB Cc1sc2nc([C@H](C)N3CCC(O)CC3)[nH]c(=O)c2c1C 44867316 RKDZIRBTYLQEMU-VIFPVBQESA-N 307.419 2.119 0 40 DEAB Cc1cc(S(=O)(=O)NCCC(C)C)ccc1N1CCCC1=O 20450287 GSWJORYVLVNVHB-UHFFFAOYSA-N 324.446 2.446 0 40 DEAB CC[C@@H](C)NC(=O)NC[C@H](c1cccs1)N1CCOCC1 44945446 RVPBRBROMOZULV-CHWSQXEVSA-N 311.451 2.219 0 40 DEAB COc1ccc(NC(=O)N[C@@H]2CCCc3c2cnn3C)cn1 44950904 WQAVKRXCPIXCEO-GFCCVEGCSA-N 301.350 2.023 0 40 DEAB CCc1ccc(NC(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)cc1 3324216 WULLITHOBPCTAJ-CQSZACIVSA-N 317.389 2.154 0 40 DEAB C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)[C@H]1CCCO1 27909149 PCYRGHGCDMABDQ-MWLCHTKSSA-N 318.295 2.320 0 40 DEAB CC(C)NS(=O)(=O)c1cc(C(=O)O)c(Cl)cc1Cl 21510652 WKUHSHKZGYLLKN-UHFFFAOYSA-N 312.174 2.378 0 40 DEAB O=C(NCCN1CCN(c2ccccc2)CC1)[C@H]1CC=CCC1 36755527 AHSBOUSNEQFLJA-KRWDZBQOSA-N 313.445 2.281 0 40 DEAB NC(=O)[C@H]1CN(Cc2cc(-c3ccccc3)cs2)CCO1 92735710 OKOVZJGZOIVPFU-OAHLLOKOSA-N 302.399 2.101 0 40 DEAB COc1ccc(COC[C@H](O)CN2CCC[C@@H](C)C2)cc1OC 13099103 DCEWLIMBAGLBFQ-GDBMZVCRSA-N 323.433 2.313 0 40 DEAB Cc1[nH]c2ccnn2c(=O)c1CC(=O)Nc1ccc2c(c1)CCC2 65523592 KRUXXAIVWZSGQE-UHFFFAOYSA-N 322.368 2.001 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)c1c[nH]nc1-c1ccccc1 65529476 ZJCVMIPTMYKXQN-UHFFFAOYSA-N 314.389 2.063 0 40 DEAB NC(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 14205345 FQUFINARJMYXAW-UHFFFAOYSA-N 324.384 2.140 0 40 DEAB C[C@H](NC(=O)[C@H]1CCCO1)c1cccc(N2CCCC2=O)c1 65830481 YZUBVNPGMKSCPO-SWLSCSKDSA-N 302.374 2.170 0 40 DEAB C[C@H]1CCCc2sc3nc(NCCO)n4ncnc4c3c21 5562104 YQNINPOFAMEXNK-QMMMGPOBSA-N 303.391 2.183 0 40 DEAB COc1ccc(NC(=O)CCNC(=O)NC2CCCCC2)cn1 14848287 JZQOFSBLKDIKCZ-UHFFFAOYSA-N 320.393 2.051 0 40 DEAB CSc1ncccc1C(=O)NC[C@@H](c1ccco1)N(C)C 7001869 MIBBHFPYMLBIOK-LBPRGKRZSA-N 305.403 2.429 0 40 DEAB Cc1cc(C)n(-c2nc(C)c(Br)c(N(C)C)n2)n1 9303114 HIVNRRCBHKOXTM-UHFFFAOYSA-N 310.199 2.416 0 40 DEAB C[C@H](OC(=O)c1cccnc1SC(F)F)C(=O)NC1CC1 7284331 NGNRZNWSVRRHET-ZETCQYMHSA-N 316.329 2.220 0 40 DEAB NC(=O)c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@H]32)cc1 7467598 DYXNCPRNNPCLGW-XJKSGUPXSA-N 316.401 2.346 0 40 DEAB COC(=O)c1cccc(NC(=O)Cc2cn3ccsc3n2)c1 9366879 HRGISPXZLLEFFM-UHFFFAOYSA-N 315.354 2.364 0 40 DEAB S=C(NCCN1CCOCC1)Nc1cccc2c1CCCC2 16238126 HPPGETKMFISPEI-UHFFFAOYSA-N 319.474 2.184 0 40 DEAB O=C(NCc1cccc(Cl)c1)c1ccccc1-n1cnnn1 8076103 VEDNCFJZNSIBMZ-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CC1CCN(C(=O)Cn2nnnc2-c2ccc(Cl)cc2)CC1 8297482 XQJAYYKAZFVEKB-UHFFFAOYSA-N 319.796 2.252 0 40 DEAB O=C(Nc1cc(O)nc2nc(-c3ccco3)nn12)c1ccccc1 16993683 MCURKSHECVMWQU-UHFFFAOYSA-N 321.296 2.342 0 40 DEAB Cn1ncc2c(Nc3ccc(Cl)cc3)nc(NCCO)nc21 17148963 ATEIWDWWYZKFCK-UHFFFAOYSA-N 318.768 2.165 0 40 DEAB C[C@@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)CC(C)(C)O1 71831176 ACRBNPYNZZJKFI-LLVKDONJSA-N 300.358 2.168 0 40 DEAB O=C(Cc1cccc2cccnc12)N1CCN2CCCC[C@H]2C1 71839847 PXOGDPQKDMGGFA-KRWDZBQOSA-N 309.413 2.474 0 40 DEAB CCN(C(=O)C[C@@H]1CCCO1)[C@@H]1CCN(c2ccccc2)C1=O 71893522 ZHVKCIXNHVREPE-JKSUJKDBSA-N 316.401 2.210 0 40 DEAB CCC[C@H](NC(=O)c1cnn(C)c1C)c1nnc2ccccn12 69557479 CEELAVWEAKCLCQ-ZDUSSCGKSA-N 312.377 2.042 0 40 DEAB CN1CCCc2cc(NC(=O)c3cc(C(N)=O)cs3)ccc21 71890213 BGUSEWIAPPMAFW-UHFFFAOYSA-N 315.398 2.482 0 40 DEAB CCOCCN1CCN(c2nn3cc(C)nc3s2)C[C@@H]1CC 69698082 JPURLTBTRBXNBH-ZDUSSCGKSA-N 323.466 2.036 0 40 DEAB O=C(O)[C@H]1CC(=O)N(CCc2cccnc2)[C@H]1c1cccs1 69843369 OOVOQSCXSIBQAS-SWLSCSKDSA-N 316.382 2.360 0 40 DEAB O=C(CCOc1cccc(F)c1)N1CCC[C@H]1Cn1cccn1 69951278 DTQAUKVVMVQHNT-HNNXBMFYSA-N 317.364 2.482 0 40 DEAB O=C(NCCOc1ccc(C(F)(F)F)cn1)N1CCCC1 95415045 WYDZWIBMKNOZIV-UHFFFAOYSA-N 303.284 2.285 0 40 DEAB C[C@H](C(=O)N[C@H](C)C(=O)N1CCSCC1)c1cccc(F)c1 95401637 CQNBUIUDZHGMMR-NWDGAFQWSA-N 324.421 2.009 0 40 DEAB Cc1ccc(OC2CCN(CCC(=O)NC(C)C)CC2)nc1 95462520 ISHMEPQSHIRDFQ-UHFFFAOYSA-N 305.422 2.148 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)N2CCC[C@H]([C@@H](C)O)C2)c1 95431368 KDKATPKCAIOYPU-CVEARBPZSA-N 320.433 2.485 0 40 DEAB CCc1[nH]ncc1C(=O)N1CCc2c(cccc2NC(C)=O)C1 95369242 YPKBPUIOPRFCME-UHFFFAOYSA-N 312.373 2.129 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN1c1ccnc(Cc2ccccc2)n1 95467687 VVKBWPYOZGXZII-INIZCTEOSA-N 322.412 2.315 0 40 DEAB O=C(Nc1nc(C2CC2)cs1)N1CCC(n2cncn2)CC1 95938988 MWGAECXUIHXIOY-UHFFFAOYSA-N 318.406 2.481 0 40 DEAB CC[C@H](C)OCC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 95981849 YGLIZFQIMXZWHN-ZDUSSCGKSA-N 316.405 2.027 0 40 DEAB CC[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)c1ccc(OC)cc1 95948225 YCKGBRUXIFPMKV-UKRRQHHQSA-N 304.390 2.131 0 40 DEAB CC1(C)C[C@@H](NC(=O)N[C@@H](CO)c2ccccc2)C(C)(C)O1 95995200 ATFNQQJUJQDBPX-UONOGXRCSA-N 306.406 2.365 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)Cc1c(F)cccc1Cl)CC2 95957932 OXIUMGJLSVZQRQ-SNVBAGLBSA-N 322.771 2.053 0 40 DEAB Cc1ccc(NC(=O)NC(C)(C)CCS(C)(=O)=O)cc1F 89644044 GWNMKUHIAZBGQV-UHFFFAOYSA-N 316.398 2.469 0 40 DEAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cnc2cc(C)ccn12 89949123 DIAAHGAMMMKHBH-NVXWUHKLSA-N 314.433 2.379 0 40 DEAB CC[C@@H](NC(=O)Nc1cccc(-n2ccnn2)c1)[C@@H]1CCCO1 89942840 LVHICQNPWWITST-CABCVRRESA-N 315.377 2.346 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2CCN2CCOC2=O)c1 75838496 QMIVGWBVZLLESU-INIZCTEOSA-N 303.406 2.342 0 40 DEAB O=C(CCc1cncnc1)Nc1cnc(-c2cccc(O)c2)nc1 1558926883 ZSMPSQPWPSAOOA-UHFFFAOYSA-N 321.340 2.211 0 40 DEAB O=C(O)CCNS(=O)(=O)c1cccc2cccc(Cl)c12 32609548 GNIGTNCKMSAGSM-UHFFFAOYSA-N 313.762 2.246 0 40 DEAB Cc1cc(NC(=O)CCCn2c(=O)oc3ccccc32)no1 32751588 PHBQZQIMGJGUGC-UHFFFAOYSA-N 301.302 2.310 0 40 DEAB Cc1nn(C)c2cnn(CCCNC(=O)c3cccc(F)c3)c12 72240920 FVAJHIAGWJUQRW-UHFFFAOYSA-N 315.352 2.037 0 40 DEAB CCOc1cc(C(=O)NC[C@H]2CCCO2)nn1-c1ccccc1 72264718 COQXONZJELOZDU-CQSZACIVSA-N 315.373 2.180 0 40 DEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 78901454 CWKGDAKKXOEOFZ-UHFFFAOYSA-N 313.423 2.247 0 40 DEAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccccc2)cc1OC 72227039 XOHSQHZBOGAIHT-SJORKVTESA-N 312.369 2.115 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccccn2)C[C@H](c2ccsc2)O1 133644704 RRKFIMPBZXSPJL-WCQYABFASA-N 324.427 2.294 0 40 DEAB CCS(=O)(=O)N(C)c1cccc(C(=O)N2CCCCCC2)c1 225968226 AKBQIMOWDRJBOF-UHFFFAOYSA-N 324.446 2.489 0 40 DEAB CCOC[C@H]1CN(C(=O)Nc2c(F)cccc2OC)CCO1 529065672 OYQRBJOYABHDCA-LLVKDONJSA-N 312.341 2.104 0 40 DEAB COC(=O)c1sc(CC(=O)NCc2ccccc2)nc1C 96402776 TYIHMKXYFXXTCN-UHFFFAOYSA-N 304.371 2.097 0 40 DEAB CCc1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1F 97103635 PKDWQKBDJXGHBM-UHFFFAOYSA-N 314.382 2.087 0 40 DEAB COc1cc(OC)c([C@H]2CCN(C)C[C@H]2OC(C)=O)c(OC)c1 95080098 AHNPFVYJZRFONV-XJKSGUPXSA-N 323.389 2.063 0 40 DEAB Cc1csc(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)n1 96442933 PWBZIQVBKUCZRV-LBPRGKRZSA-N 308.403 2.143 0 40 DEAB CCO[C@H]1COC2(CCN(C(=O)c3csc(C)n3)CC2)C1 96106592 PZMSXUHYYOSMBK-GFCCVEGCSA-N 310.419 2.252 0 40 DEAB CCCNc1cccc(F)c1NS(=O)(=O)c1cn(C)cn1 96496699 ZTBSHQJKGLVEJI-UHFFFAOYSA-N 312.370 2.182 0 40 DEAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)NC2CCCC2)nn1 96184876 SABWMEQDGAGQNB-LSDHHAIUSA-N 315.421 2.090 0 40 DEAB O=C(Cc1cccs1)N1CCC(Oc2cccnn2)CC1 96119331 BVRFQMJGLJQXSM-UHFFFAOYSA-N 303.387 2.151 0 40 DEAB Cn1nccc1CNC(=O)CCc1ccc(Br)cc1 96451170 NRVPLZFUIIUFNH-UHFFFAOYSA-N 322.206 2.432 0 40 DEAB CC(=O)N1CCCC2(CCN(C(=O)c3c(C)noc3C)CC2)C1 96156894 WRMPHZZOTUUJRD-UHFFFAOYSA-N 319.405 2.156 0 40 DEAB Cc1ncc(CNC(=O)NCc2nccn2CC(C)C)s1 96439561 WUKCKMOYULBMCA-UHFFFAOYSA-N 307.423 2.303 0 40 DEAB O=C(c1ccncc1)N1CC2(CCN(Cc3ccsc3)C2)C1 96202768 CWNCCIFCAPRDOF-UHFFFAOYSA-N 313.426 2.491 0 40 DEAB Cc1nc(NC(C)C)nc2c1CN(CC1CCOCC1)CC2 96253918 BYASCPBSOMQYCB-UHFFFAOYSA-N 304.438 2.390 0 40 DEAB COc1ccc(Br)c(S(=O)(=O)N2CCCC2)c1 96446584 GHXZRGFKFKBHIA-UHFFFAOYSA-N 320.208 2.242 0 40 DEAB COC[C@H]1CN(C(=O)c2cc(C)cc(C)c2)Cc2ncn(C)c21 96044767 CYIZXCVTRGHHIG-OAHLLOKOSA-N 313.401 2.423 0 40 DEAB Cc1ccnc([C@@H]2CCN(Cc3cnn4c(C)cc(C)nc34)C2)n1 257230476 GCNDZELBFBJBFV-OAHLLOKOSA-N 322.416 2.434 0 40 DEAB CC(=O)N1CCC[C@H](c2cnc(-c3c(C)nn(C)c3C)cn2)C1 257244786 IMTHRXZGTUMWIS-AWEZNQCLSA-N 313.405 2.220 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cn3c(C)cccc3n2)C1 257239727 HQNNQQGJVMHSDV-ZDUSSCGKSA-N 309.373 2.304 0 40 DEAB C[C@]12C[C@@H](c3ccc(F)cc3)N(CCO)[C@H]1CCCCC(=O)N2 257233862 GRBZTMMLDNPUJE-BQFCYCMXSA-N 320.408 2.382 0 40 DEAB COCC(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 257226053 FIXRNIMVIQXRHT-WBVHZDCISA-N 323.364 2.001 0 40 DEAB CO[C@H](C)C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 262534444 TWQRJANJQWWVGD-SNVBAGLBSA-N 303.314 2.277 0 40 DEAB CCO[C@H]1C[C@](NC(=O)c2ccc(OC)cc2)(C(=O)O)C1(C)C 262693189 CREUFFQZFMUQAP-GUYCJALGSA-N 321.373 2.083 0 40 DEAB CCc1ccc(CS(=O)(=O)N2CCOc3ccncc32)cc1 274344455 CCQDTNHYEOOOBL-UHFFFAOYSA-N 318.398 2.373 0 40 DEAB CCOC(CN(CCC(=O)O)C(=O)OC(C)(C)C)OCC 582468954 YRTDLCONGYQXTL-UHFFFAOYSA-N 305.371 2.097 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Cn2cccn2)cc1 69201083 HYKWAWKAKKIHPD-UHFFFAOYSA-N 324.388 2.329 0 40 DEAB NC(=O)c1cccc(CCNCc2cnn(-c3ccccc3)c2)c1 72275606 CECCMOHEJLETAJ-UHFFFAOYSA-N 320.396 2.304 0 40 DEAB COC(=O)c1ccc(Cl)cc1OCC(=O)Nc1cc(C)on1 48264668 ARNIENLOFOHGNJ-UHFFFAOYSA-N 324.720 2.441 0 40 DEAB O=S(=O)(CCN1CCC(c2cc[nH]n2)CC1)c1ccccc1 58248286 LGWYPRJVJZWFGR-UHFFFAOYSA-N 319.430 2.063 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3cccnc3)C2)nc1 1776000838 MODVGYOSFOTLAV-AWEZNQCLSA-N 312.373 2.111 0 40 DEAB CN(C)C(=O)CCNC(=O)N[C@@H](c1ccccc1)C1CCC1 78523055 BSIVCGJZYYFBHK-INIZCTEOSA-N 303.406 2.305 0 40 DEAB Cc1cc(O)n2nc([C@H]3CCCCN3C(=O)[C@H]3C[C@@H]3C)cc2n1 12161170 CANYXXUZNCUGQX-VHRBIJSZSA-N 314.389 2.453 0 40 DEAB Cn1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)c2cccnc21 12253672 MCTDCFFYFNCNLO-CQSZACIVSA-N 321.384 2.383 0 40 DEAB C#CCOc1ccccc1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 6413214 YZFHSWQHNGPITC-LCYFTJDESA-N 315.354 2.343 0 40 DEAB Cc1cccc(C(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 4504353 DQRLUWQTCNDVLK-OAHLLOKOSA-N 309.431 2.280 0 40 DEAB C[C@H]1Oc2ccc(C(=O)Cn3nnc4ccccc43)cc2NC1=O 19951288 LZWDXSWXZRLNTE-SNVBAGLBSA-N 322.324 2.034 0 40 DEAB Cc1nc(/C=C/C(=O)OCC(=O)c2ccc(O)cc2O)cs1 11941519 HFDCTUSWRMANGW-GORDUTHDSA-N 319.338 2.302 0 40 DEAB CCNC(=O)N1C[C@H]2CCC[C@@]2(COc2ncnc(C)c2C)C1 1888873080 JUFWMJMECIQJHC-PBHICJAKSA-N 318.421 2.304 0 40 DEAB Cc1ccc(N2CCN(c3ncnc4ccccc34)CC2)nn1 1889149075 VRXRPRRFXSZJBS-UHFFFAOYSA-N 306.373 2.055 0 40 DEAB CC(=O)N[C@H](CC(=O)NCc1ccc(C)n1C)c1cccs1 21328237 SFZOQRCSPBQKHX-CQSZACIVSA-N 319.430 2.279 0 40 DEAB O=C(O)CC[C@@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)O 1723137 DGMFARLQEAXXKN-MRVPVSSYSA-N 320.128 2.041 0 40 DEAB in-vivo Nc1cc(N)nc(SCc2noc(-c3ccsc3)n2)n1 31821340 JOJSYQWJFQGUHJ-UHFFFAOYSA-N 306.376 2.045 0 40 DEAB CN1CCC(N(C)[C@@H]2CCC[C@H](Oc3ccccc3)[C@H]2O)CC1 2037795296 VMPNKWNRGBYOPU-QYZOEREBSA-N 318.461 2.373 0 40 DEAB O=C(c1cc[nH]c1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 1565554757 ZFVPMIFYHALBMK-VNQPRFMTSA-N 304.390 2.061 0 40 DEAB O=C(Cc1ccccc1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@H]21 1565541998 VEANZIZSBWSEJJ-RTBURBONSA-N 321.424 2.357 0 40 DEAB O=c1c2nnn(-c3cccc(F)c3)c2ncn1Cc1ccccc1 5056656 BUVWZTAGTGYFHG-UHFFFAOYSA-N 321.315 2.165 0 40 DEAB Cc1ccc(OCC2CCN(c3nnc(C)s3)CC2)nn1 1775965519 BDSAVFGSMDDXEY-UHFFFAOYSA-N 305.407 2.240 0 40 DEAB CSc1ccc([C@H](O)CNc2ncnc3c2ncn3C)cc1 1775971328 MSIXYJIOEUDJFW-GFCCVEGCSA-N 315.402 2.231 0 40 DEAB COc1ccc2c(c1)s/c(=N/C(=O)c1cc(C)on1)n2C 101025781 NNMGYEWAPIPNDV-CCEZHUSRSA-N 303.343 2.286 0 40 DEAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@]1(O)C=CCCC1 585146602 APTRKDGZAAJDAH-INIZCTEOSA-N 322.792 2.174 0 40 DEAB COc1ccccc1C(=O)NC[C@@H](OCCO)c1ccsc1 575622586 ZZPWSENKDZFHBD-OAHLLOKOSA-N 321.398 2.237 0 40 DEAB NC(=O)COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 31040657 AZRNEZHVLVWCKZ-SFHVURJKSA-N 324.380 2.432 0 40 DEAB CC[C@@H]1CCc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C1 40554008 GDVSGRPGWRUTFQ-SECBINFHSA-N 320.418 2.205 0 40 DEAB COc1ccc([C@@H](O)CNC(=O)c2cc(C(C)C)[nH]n2)cc1 52741986 OBANJWGMFYEOBY-HNNXBMFYSA-N 303.362 2.005 0 40 DEAB O=C1CC[C@H](C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)N1 60776171 MOTDYGMYWULYHV-OAHLLOKOSA-N 320.352 2.243 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)Cn1cccn1 78771223 JNDQDKUJTOJAKW-DOMZBBRYSA-N 315.421 2.233 0 40 DEAB Cc1noc(C)c1COc1ccc(C(=O)N2CCOCC2)cc1 3612702 AEFVWEWAGVZQQV-UHFFFAOYSA-N 316.357 2.343 0 40 DEAB COc1ccccc1OCC(=O)Nc1nnc(SC)s1 6407958 YFESUMRSEJWDRO-UHFFFAOYSA-N 311.388 2.286 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1C 47256886 DAEHGZKJXJAAMV-UHFFFAOYSA-N 304.371 2.354 0 40 DEAB O=C(NC1CC2(CCN(Cc3ccncc3)C2)C1)c1ccncc1 108525819 CYJVQYUOLXRMHV-UHFFFAOYSA-N 322.412 2.261 0 40 DEAB O=C(O)CN(C(=O)c1cc(Br)ccc1F)C1CC1 37588504 KFYOUAIQZKJBQH-UHFFFAOYSA-N 316.126 2.277 0 40 DEAB c1ccc(CN2CCC[C@]3(CCN(C[C@H]4CCOC4)C3)C2)nc1 107191505 FUUNYYHRVNTBNQ-MJGOQNOKSA-N 315.461 2.406 0 40 DEAB O=C(O)C1=C[C@@H](c2cccnc2)n2nc(-c3ccccc3)nc2N1 102335857 HGQGEEJUNPQOFZ-AWEZNQCLSA-N 319.324 2.324 0 40 DEAB CN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCOC1 106535233 RWDHNBWOWYEVCT-IRXDYDNUSA-N 317.433 2.081 0 40 DEAB O=C(CCn1cncn1)N1CCC[C@@H]1C[C@@H]1C[C@H]2CC[C@H]1C2 106648490 STXQSMQZUZULNE-YHUYYLMFSA-N 302.422 2.486 0 40 DEAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)n1C 12534871 CTONIXMECXLLHS-JTQLQIEISA-N 319.434 2.309 0 40 DEAB Cn1c(C(=O)N[C@]2(C(=O)O)CCSC2)cc(Cl)c1Cl 43510034 ZRLVKOQROATHPF-LLVKDONJSA-N 323.201 2.022 0 40 DEAB O=C(CN1CSCC1=O)Nc1ccc(Cl)c2cccnc12 12592529 MHWAJTVRNKTEPP-UHFFFAOYSA-N 321.789 2.360 0 40 DEAB COc1cc(CN2CC[C@H](NC(=O)[C@@H]3C[C@@H]3C)C2)cc(OC)c1 107360893 HNAFYOWDTXBJKQ-RVSPLBMKSA-N 318.417 2.050 0 40 DEAB COCCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 47806583 NBZXLBSWSDVTKM-BETUJISGSA-N 307.394 2.068 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)NCC(C)C)cc1OCC 3295889 JCVXSTIIUODWSI-UHFFFAOYSA-N 323.389 2.413 0 40 DEAB CN1C[C@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCC1=O 95399253 MERCPGRHORNLAG-SECBINFHSA-N 307.423 2.121 0 40 DEAB CN(C[C@@H](O)COc1cccc2[nH]ccc12)[C@H]1CCSC1 108363532 JRMSGXNSHUCWAL-QWHCGFSZSA-N 306.431 2.345 0 40 DEAB COC(=O)N[C@H](C(=O)Nc1ccc(C)c2cn[nH]c12)C(C)C 95394065 DEANIXBYBSFMSQ-LBPRGKRZSA-N 304.350 2.190 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 58289886 FAUDUDLNSFXLSA-MRXNPFEDSA-N 306.337 2.208 0 40 DEAB Cc1cc2n(n1)C[C@H](CNCc1ccccc1-n1ccnc1)CN2 58333152 PRJBIRNXGKPWOH-OAHLLOKOSA-N 322.416 2.209 0 40 DEAB Cc1ccc2c(CCNC(=O)c3ccn(C)c(=O)c3)c[nH]c2c1 58329366 HDEPIYNKHPNUSX-UHFFFAOYSA-N 309.369 2.148 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@@H]1CN1CCCC1 58323513 GEFOZHXOCPBQDL-CQSZACIVSA-N 306.381 2.291 0 40 DEAB COc1c(CNC[C@@H]2COc3ccccc3C2)c(C)nn1C 58428105 UYZWPYMFNWFJMK-CYBMUJFWSA-N 301.390 2.078 0 40 DEAB CN(C)c1ccc(C(=O)NCc2ccccc2-n2cccn2)cn1 58431808 VRQHLIVOKDDPBL-UHFFFAOYSA-N 321.384 2.263 0 40 DEAB COCc1ccccc1CNCc1c(C)nn(C)c1N(C)C 58433970 SMNGRYYDSLPHKO-UHFFFAOYSA-N 302.422 2.231 0 40 DEAB OCCN(CCO)CCc1ccc(COc2ccccc2)cc1 68606132 MKJULGUFZRFLFY-UHFFFAOYSA-N 315.413 2.095 0 40 DEAB COc1ccccc1CN[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C 84714956 YFQQPIPOHLYFTN-XJKSGUPXSA-N 302.418 2.432 0 40 DEAB O=C(NCCNC(=O)c1ccco1)NC1CCCCCCC1 29339065 NDPSKNIGDGAQDG-UHFFFAOYSA-N 307.394 2.422 0 40 DEAB NC(=O)c1cc(Cl)ccc1O[C@@H](C(N)=O)c1ccccc1 12862739 OQJRJHGLRHSCLP-CYBMUJFWSA-N 304.733 2.044 0 40 DEAB O=C(CN1CCCCCC1=O)N[C@H]1CCOc2ccccc21 12945209 AHZQPNOYSANVBO-AWEZNQCLSA-N 302.374 2.029 0 40 DEAB COc1ccc2cc(NC(=O)N3CCCN(C)CC3)ccc2n1 97052048 VWNQJCJGKQKPRP-UHFFFAOYSA-N 314.389 2.413 0 40 DEAB Cc1ccc(Nc2nc(N3CCOCC3)nc3c2cnn3C)cc1 9273250 JIMKCLOOECEBST-UHFFFAOYSA-N 324.388 2.252 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@@H](C)c1nc(C)no1 72268688 JTAHDAHLQJIQGD-IACUBPJLSA-N 306.410 2.304 0 40 DEAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)c1c(C)noc1C 14097359 TWACVOPJWLNECY-UHFFFAOYSA-N 310.331 2.099 0 40 DEAB CN1N=C(C(=O)Nc2ccc(OC(F)(F)F)cc2)CCC1=O 14186572 NNDALRVJAKVSBF-UHFFFAOYSA-N 315.251 2.132 0 40 DEAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccccc1F 65606204 FYRHTBFPJVIHNX-GFCCVEGCSA-N 309.362 2.402 0 40 DEAB O=C1Cc2cc(-c3csc(N4CCOCC4)n3)ccc2N1 9388552 XUFFHWOIVNNTLN-UHFFFAOYSA-N 301.371 2.141 0 40 DEAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)cc1C 6979329 IMNDEUNFJSSNOS-LLVKDONJSA-N 318.402 2.165 0 40 DEAB COc1ccc(Cl)cc1N1CC[C@H](NCc2ncc[nH]2)C1 67696669 NBCLNWYTVSKUNF-LBPRGKRZSA-N 306.797 2.440 0 40 DEAB CCOC(=O)CSCC(=O)Nc1ccnn1C1CCCC1 7495454 WSTNLGXFLYBMIZ-UHFFFAOYSA-N 311.407 2.233 0 40 DEAB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)C1CC1 8272460 YHHKZOOSSBOPSC-UHFFFAOYSA-N 303.387 2.481 0 40 DEAB COCCN1CCN(CCCOc2cccc(C)c2)C[C@H]1C 70008431 GOQHCOXKVMPREL-QGZVFWFLSA-N 306.450 2.416 0 40 DEAB C[C@H](C(=O)Nc1sccc1C(N)=O)N1CCc2ccccc21 8308713 DQFVMOGKKOMGQY-SNVBAGLBSA-N 315.398 2.237 0 40 DEAB CN(C[C@@H]1CCCCO1)C(=O)c1cc2ccccc2c(=O)[nH]1 71821456 VAIYOYBIOSQEDF-ZDUSSCGKSA-N 300.358 2.169 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCc3nnc(N)cc3C2)C1(C)C 71860018 QIUDEVXRGGKIEA-IUODEOHRSA-N 300.406 2.182 0 40 DEAB C[C@H]1CN(CC2CCN(CCc3ccncc3)CC2)C[C@H](C)O1 69484319 SPRXGOCAUKSXNA-IRXDYDNUSA-N 317.477 2.445 0 40 DEAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@@H]1COCCO1 69589254 RSXITGWSKPBTPL-AWEZNQCLSA-N 318.304 2.367 0 40 DEAB CCN(CCCNC(=O)c1cc(C)on1)C(=O)OC(C)(C)C 69652690 IISZBBPIPFTBGZ-UHFFFAOYSA-N 311.382 2.360 0 40 DEAB CC[C@H]1CN(c2ncnc3sccc23)CCN1CCOC 69779880 LOIWMXKREFHDAW-LBPRGKRZSA-N 306.435 2.238 0 40 DEAB O=C(COCc1ccccc1)NCCNC(=O)CC1CCCC1 69737043 CNGIENKMJFCDGE-UHFFFAOYSA-N 318.417 2.016 0 40 DEAB C[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 96502589 HXJCUUCTFYIVMV-HIFRSBDPSA-N 316.405 2.019 0 40 DEAB C[C@@H](NC(N)=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 69817143 OUZHEEPZMBRBEV-GFCCVEGCSA-N 313.357 2.152 0 40 DEAB CC1CCN(C(=O)CSc2nc(=O)ccn2C(C)C)CC1 69817004 ZRXPXQBCMGHRKN-UHFFFAOYSA-N 309.435 2.175 0 40 DEAB COCC1CCN(C(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 71900306 WKJZTKKXSHBWME-HNNXBMFYSA-N 324.465 2.156 0 40 DEAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccncc2)cc1 8778861 BASDQMBRKWIKIX-UHFFFAOYSA-N 306.325 2.298 0 40 DEAB Cn1nc(C2CCC2)cc1NC(=O)NC1CCN(C2CC2)CC1 95418862 UVSJXFMNCBEPIO-UHFFFAOYSA-N 317.437 2.436 0 40 DEAB NC(=O)c1ccc(NC(=O)Cc2ccc(C(F)(F)F)cc2)cn1 84397854 WRAZVVUCVKDVGS-UHFFFAOYSA-N 323.274 2.381 0 40 DEAB CN(C)C(=O)c1cccc(COc2cccc(F)c2C(N)=O)c1 97376138 DHEADFHXXHBUNL-UHFFFAOYSA-N 316.332 2.205 0 40 DEAB C[C@H]1C[C@@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1 95455984 OFCJNJFCFZUEOV-WFASDCNBSA-N 314.389 2.461 0 40 DEAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N1CCC[C@@H]1CO 88619010 HIHPDSKQQYHVIS-RKVPGOIHSA-N 300.402 2.057 0 40 DEAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCC[C@H](C2OCCO2)C1 95978455 UTGHBWAFHACGQW-FZMZJTMJSA-N 321.421 2.132 0 40 DEAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C(N)=O)c(C)o1 95988603 UBEBHJMVCFVHEV-UHFFFAOYSA-N 308.359 2.105 0 40 DEAB Cn1cc(C(=O)NC[C@H](O)c2cc3ccccc3s2)cn1 89755219 ZOJFWRGZECLLQL-LBPRGKRZSA-N 301.371 2.098 0 40 DEAB O=S(=O)(c1ccc(CSc2cn[nH]n2)cc1)C(F)F 89787941 YAQFXJQFMWXFPT-UHFFFAOYSA-N 305.331 2.093 0 40 DEAB Cc1ccc(C)c(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c1 75572732 HVVZKLIIZCQCRD-OAHLLOKOSA-N 319.449 2.334 0 40 DEAB Cc1nc(-c2ccc(OC(=O)c3ccc4nncn4c3)cc2)no1 75610637 GCAXYVLEWQNDBD-UHFFFAOYSA-N 321.296 2.307 0 40 DEAB O=C(NCCc1cn[nH]c1)Nc1ncc(C(F)(F)F)s1 1548453267 YZOFBKXTOLDGMJ-UHFFFAOYSA-N 305.285 2.249 0 40 DEAB CCn1ncnc1[C@@H](C)NC(=O)c1ccccc1-c1ncc[nH]1 67919621 XNWSBYPEIUATCK-LLVKDONJSA-N 310.361 2.179 0 40 DEAB CCn1ncc(C)c1NC(=O)[C@@H]1Cc2ccccc2N1C(C)=O 527535379 KMULSCQHONJZBM-HNNXBMFYSA-N 312.373 2.128 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cnn(C)c1C 72336933 FLPSXJJPRBSFRR-ZBFHGGJFSA-N 322.416 2.341 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)N1CCC=C(F)C1 521396326 MPAGDVQUHLSEGU-WXHSDQCUSA-N 310.369 2.328 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCCNc1ccc2ccccc2n1 73940975 JDUMXBNJCIWAOG-UHFFFAOYSA-N 323.400 2.427 0 40 DEAB Cc1cc(C(=O)N2CCN(CCOC(C)C)CC2)ccc1F 74390419 QPMNMUDFXCSGHQ-UHFFFAOYSA-N 308.397 2.317 0 40 DEAB COCCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C 222732483 FDVNDPDXABYOQX-GJZGRUSLSA-N 316.430 2.132 0 40 DEAB O=C1[C@@H]2CCCN2C(=O)N1Cc1csc(Br)c1 48609816 ZDJKEVXGZYHPHH-QMMMGPOBSA-N 315.192 2.437 0 40 DEAB CC(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(C)c(Cl)c2)n1 225966298 PCYVDWOGHQBSSO-UHFFFAOYSA-N 306.705 2.095 0 40 DEAB CC[C@@H]1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574884629 UMNQWYZCGQHDNV-QWHCGFSZSA-N 304.390 2.121 0 40 DEAB Cc1occc1C(=O)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1 96048572 DYCOFRSDVSPMDT-PBHICJAKSA-N 315.373 2.421 0 40 DEAB C[S@](=O)CCNC(=O)NCC1(Cc2ccccc2)CCC1 96465841 LIFHIHHSGXQSMY-OAQYLSRUSA-N 308.447 2.077 0 40 DEAB C[C@@H](C(=O)NC1CCN(C(=O)NC(C)(C)C)CC1)n1cccc1 96494450 XDPAEEYNKZMQST-ZDUSSCGKSA-N 320.437 2.138 0 40 DEAB Cc1ccc(CN2CC[C@H]3O[C@H](C(=O)NCC4CC4)CC[C@H]32)o1 96057318 ATFMYCGPMHJCLY-ZACQAIPSSA-N 318.417 2.236 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccoc2)N1c1ccsc1 96111205 AVBUYMCYFNXESX-QWHCGFSZSA-N 302.355 2.361 0 40 DEAB c1ccc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)nc1 96058085 XPQFQTRCAKEMAN-BZSNNMDCSA-N 311.385 2.287 0 40 DEAB Cc1cccc(C(=O)N2CC[C@@]3(CCN3C[C@@H]3CCCO3)C2)c1 96076022 GLVIVQROPZRUQB-PKOBYXMFSA-N 314.429 2.464 0 40 DEAB CC(C)c1cc(C(=O)N[C@H](C[S@@](C)=O)c2ccccc2)n[nH]1 96445441 MPJZMRIVUISZJI-QRQCRPRQSA-N 319.430 2.383 0 40 DEAB c1csc(CN2CCOC3(CCN(CC4CC4)CC3)C2)n1 96048991 NHBIKASGUIHQRM-UHFFFAOYSA-N 307.463 2.220 0 40 DEAB COc1ccc([C@@H](N)c2n[nH]c(COc3ccccc3)n2)cc1 95533649 SHHIZVSNSNPTCQ-MRXNPFEDSA-N 310.357 2.440 0 40 DEAB Cc1nc(CNC(=O)N2CCCC[C@H]2c2cn[nH]c2)oc1C 97234563 HKHSDPYPMSIHPN-ZDUSSCGKSA-N 303.366 2.451 0 40 DEAB CNC(=O)CN(C)Cc1cc(Br)cc2cccnc12 96470288 KOCXVKYTHPHBOV-UHFFFAOYSA-N 322.206 2.175 0 40 DEAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccn1C)C2 96229783 UCMNOMPSVMQFQE-QGZVFWFLSA-N 303.406 2.032 0 40 DEAB O=C(c1ccccn1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96047162 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CCCC(=O)NC[C@H]1CCCN(C(=O)COC2CCCCC2)C1 58393860 HHWFIGLOXNNNBZ-OAHLLOKOSA-N 324.465 2.491 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)NCCc1ccccc1F 27955265 MRNWFWIQDSOWTA-LBPRGKRZSA-N 300.399 2.077 0 40 DEAB C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CN1CCCCC1 58405394 ZJWIYTVJNFPKLG-AWEZNQCLSA-N 306.454 2.490 0 40 DEAB O=c1oc(-c2ccc(F)cc2)nn1C[C@H](O)c1ccccc1 10523481 CTZBEWAMYYCGCN-AWEZNQCLSA-N 300.289 2.376 0 40 DEAB Cc1nc(CNC(=O)N2CCN(c3ccccc3)CC2)cs1 45325741 ADCKQUICSGREAN-UHFFFAOYSA-N 316.430 2.483 0 40 DEAB CCOc1ccc(CCC(=O)NCCN(C)C)cc1OCC 20487047 BPFFZKQWSVZTNH-UHFFFAOYSA-N 308.422 2.094 0 40 DEAB Cc1cn2nc(NCCCN3CCCCCC3=O)sc2n1 45724276 NCVIBEFNWAQRMR-UHFFFAOYSA-N 307.423 2.304 0 40 DEAB O=C(O)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 11568668 HLWMPBIRTTYIBL-UHFFFAOYSA-N 323.356 2.117 0 40 DEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@H]1CCOC1 48331432 ANNSKXBLNYFFAU-GFCCVEGCSA-N 302.378 2.087 0 40 DEAB O=C(CSc1nnc(C2CC2)o1)NC(=O)C1CCCCC1 12905975 JDENYFNEOXBPPF-UHFFFAOYSA-N 309.391 2.262 0 40 DEAB 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CCc1nc2n(n1)CCC[C@@H]2NC(=O)CCCn1cccc1 96495130 OAEQCCXYJIZZEM-ZDUSSCGKSA-N 301.394 2.074 0 40 DEAB CC[C@@H](C)c1ccccc1OCC(=O)N1CCCS1(=O)=O 69713189 HVCPOVDNFOJICM-GFCCVEGCSA-N 311.403 2.141 0 40 DEAB CC[C@H]1CN(C[C@H](O)c2ccc(C)c(C)c2)CCN1CCOC 69810462 SUSXZTHZFYUHNP-OALUTQOASA-N 320.477 2.379 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cnc(C)cn1 69815204 DIHSGNHNBYEROC-HOTGVXAUSA-N 302.422 2.150 0 40 DEAB Cc1cnn(CCNCc2nc(-c3ccc(C)c(F)c3)no2)c1 69872484 PSVDVNJOJJZPDF-UHFFFAOYSA-N 315.352 2.479 0 40 DEAB C[C@H](C(=O)O)n1cc(I)c(C2CC2)n1 72339391 CEFCWOSFDITBHG-RXMQYKEDSA-N 306.103 2.011 0 40 DEAB Cc1nc(C)c([C@H](C)NC(=O)CCNc2ncccn2)s1 84062220 PYQCAPACMXULQN-JTQLQIEISA-N 305.407 2.229 0 40 DEAB COc1ccc(S(=O)(=O)N(C)c2ncccc2OC)c(C)c1 84093822 JVSWGOXXGGPNFQ-UHFFFAOYSA-N 322.386 2.232 0 40 DEAB C[C@H](C(=O)Nc1nccs1)N1CCC(c2cnn(C)c2)CC1 97203121 OYLTZMOFZIOJBH-LLVKDONJSA-N 319.434 2.083 0 40 DEAB c1cc(N2CCOCC2)ncc1N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 97046014 DDEUZQDOBCYLTF-OIISXLGYSA-N 315.417 2.288 0 40 DEAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCn2ccnc2C1 97201242 JGSPAFFBRONCSM-AWEZNQCLSA-N 310.401 2.067 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccccn3)C2)no1 72231714 ODBKAFOANUIEKT-ZDUSSCGKSA-N 300.362 2.112 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc4nccn4c3)C2)n1 72273586 FUOZDSOKNQDODZ-OAHLLOKOSA-N 324.388 2.020 0 40 DEAB COC(=O)[C@@H](NC(=O)c1ccc(-n2cccn2)cc1)C(C)(C)C 72292287 QFKCAVWNQPVEKB-CQSZACIVSA-N 315.373 2.190 0 40 DEAB CC(C)c1noc([C@H](C)N[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)n1 84714680 HJAXOMUPYQDMHH-OBJOEFQTSA-N 320.437 2.491 0 40 DEAB O=C1OCCN1CCNC1(c2ccc(Cl)cc2)CCOCC1 95431927 FRDMAMZTVAFLNH-UHFFFAOYSA-N 324.808 2.388 0 40 DEAB Cc1cnc(CCNC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)s1 95413541 COKCTLOZEKGJFG-CMPLNLGQSA-N 323.418 2.398 0 40 DEAB CSC[C@@H](C)C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 95991665 OFLHKZBSZGGLGX-ICRTXTNUSA-N 301.452 2.424 0 40 DEAB Cc1ccc(C(=O)N2CCN(CC3=CCCOC3)CC2)cc1 95999330 VMSKRMDLDSTERX-UHFFFAOYSA-N 300.402 2.100 0 40 DEAB CN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 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302.374 2.106 0 40 DEAB CS(=O)(=O)N1CCCC[C@@H]1CCc1ccnc(Cl)c1 72343942 IRLLCLQGEFVVES-GFCCVEGCSA-N 302.827 2.482 0 40 DEAB Cc1ccccc1NC(=O)C(=O)NC[C@](C)(O)CCC(C)C 77929509 OEEYYHICCVXDAO-QGZVFWFLSA-N 306.406 2.237 0 40 DEAB CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4)nn3c2O)C1 48623046 FYVRRBFEMDYUKR-CYBMUJFWSA-N 315.421 2.016 0 40 DEAB C[C@H](NCCCC(=O)N1CCc2ccccc2C1)c1cnccn1 89617348 VNDNTIOXTVNDAC-HNNXBMFYSA-N 324.428 2.492 0 40 DEAB NC(=O)[C@@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)nc1 195562112 YPOJENVNYYGTRV-HZPDHXFCSA-N 316.449 2.206 0 40 DEAB Cc1cccc2c1cnn2CCC(=O)N1C[C@@H](C)O[C@H](C)C1 40758322 HGYSPTYOLQDRKH-ZIAGYGMSSA-N 301.390 2.371 0 40 DEAB O=c1ccc(F)cn1Cc1cn(-c2ccc(Cl)cc2)nn1 190754097 IQBWPAYAIXSQBO-UHFFFAOYSA-N 304.712 2.270 0 40 DEAB Cc1ccccc1CN1CC[C@H]2C[C@@H](C(=O)N(C)C)O[C@@H]2C1 97953815 NEVOQVPCNHNNTH-BHYGNILZSA-N 302.418 2.063 0 40 DEAB Cc1ccc2ncn(Cc3ncn(-c4ccccc4)n3)c(=O)c2c1 96490193 IZRDEOZMXHVEOX-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB O=C(NCc1ccco1)[C@H]1C[C@]12CCN(C(=O)c1ccccc1)C2 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40 DEAB O=C(O)[C@H](C1CC1)n1nnc(-c2ccc(Br)cc2)n1 630381445 QMWDVCTWCWBNKN-JTQLQIEISA-N 323.150 2.138 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCN(Cc3c(C)n[nH]c3C)C2)c1 585275377 AXYXHOLCSDZJKD-GOSISDBHSA-N 315.417 2.351 0 40 DEAB Cc1csc2nc(CN[C@@H](C)[C@@H](C)n3cccn3)cc(=O)n12 71882106 LOGJGISSRKODDE-NWDGAFQWSA-N 317.418 2.000 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)C1CC1 48113488 AFEFUKPIQVKPEW-CQSZACIVSA-N 317.433 2.117 0 40 DEAB COCc1nc(Cn2nc(C)c([C@@H](C)C(=O)OC)c2C)cs1 95431602 GATLQQRQDPQWCI-SECBINFHSA-N 323.418 2.428 0 40 DEAB CC(C)(CO)CCCNC(=O)N1CCN(C2CCCC2)CC1 86406743 JSSVSXWPDBRTHT-UHFFFAOYSA-N 311.470 2.055 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)Nc2ccc(=O)n(C)c2)on1 95955722 PMOOMMGOWRNRDV-GFCCVEGCSA-N 302.334 2.051 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2ccc(F)c(F)c2)C1 95947176 XTTRVUIIDMQZIV-GXFFZTMASA-N 310.344 2.401 0 40 DEAB c1cc(CNCCc2nncn2C2CC2)c2c(c1)OCCCO2 76331835 YYTPJWMKXBBYMO-UHFFFAOYSA-N 314.389 2.107 0 40 DEAB CSCCCNC(=O)N1CCO[C@H](Cc2ccccc2)C1 97231146 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40465555 CNGHNSGFUKDLDE-UHFFFAOYSA-N 321.406 2.422 0 40 DEAB CCNC(=O)NC1(C(=O)N[C@@H](C)c2ccccc2)CCCC1 40556340 FGBWKCHQLWEHAT-ZDUSSCGKSA-N 303.406 2.496 0 40 DEAB COc1cccc2ccn(CC(=O)NC[C@@H](O)c3ccccc3)c12 32123986 QRSOTQSZUOZYTR-MRXNPFEDSA-N 324.380 2.500 0 40 DEAB biogenic C[C@H](C(N)=O)N1CCC(Oc2cccc3c2OC(C)(C)C3)CC1 52100704 MDRYEYZYGACXOT-GFCCVEGCSA-N 318.417 2.117 0 40 DEAB CC1(C)NC(=O)N(CCN(CC2CCCCC2)C2CC2)C1=O 52245132 ROECXZNPVQNGSN-UHFFFAOYSA-N 307.438 2.362 0 40 DEAB C[C@@H]1C[C@@H](OC(=O)CCc2nc3ccccc3s2)C(=O)O1 32736363 BTQAXBROXWBDKE-MWLCHTKSSA-N 305.355 2.476 0 40 DEAB Cc1n[nH]c2c1[C@@H](c1ccc3c(c1)OCO3)SCC(=O)N2 21525131 JOMYOCJGYBWNOS-CYBMUJFWSA-N 303.343 2.222 0 40 DEAB NC(=O)[C@H](OC(=O)/C=C/c1ccncc1)c1ccc(F)cc1 32808985 XWKHRDWZYSZTBJ-KDQAPYGTSA-N 300.289 2.004 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)no1 76043503 KCMBZPFRICOVDH-PELKAZGASA-N 304.350 2.450 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)no1 76043229 PZMIXKFNCJDPRN-LBPRGKRZSA-N 315.329 2.127 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NC[C@@H]2CCN(C3CC3)C2)C1 79073560 LZBROWLQSVWJMG-KBPBESRZSA-N 309.454 2.070 0 40 DEAB O=C1[C@H]2N=NN(c3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1 33274034 YPESBVNUZLGZEQ-UONOGXRCSA-N 310.288 2.324 0 40 DEAB Cc1cnc(C(=O)NC2CCN(c3ccc(F)cc3)CC2)cn1 53244388 OVCHBAXIJYAMMG-UHFFFAOYSA-N 314.364 2.323 0 40 DEAB S=C(NCc1ccco1)N1CCN(Cc2ccco2)CC1 4216697 CSGDPWMBRJTAGS-UHFFFAOYSA-N 305.403 2.065 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H]2CC(=O)c3sccc32)cc1 6736607 JMGWKSHCTPJOEN-LBPRGKRZSA-N 323.395 2.363 0 40 DEAB CC(C)NC(=O)COCc1cc(-c2ccc3c(c2)OCO3)on1 6876278 JLOSEZUJJXJIPS-UHFFFAOYSA-N 318.329 2.112 0 40 DEAB COc1ccccc1S(=O)(=O)N1CCn2cccc2[C@@H]1C 6974826 ZJPAYSUNJVKPJQ-LBPRGKRZSA-N 306.387 2.262 0 40 DEAB COc1cc(F)cc(CNC(=O)N2CC[C@@H](N3CCCC3)C2)c1 91925783 FCSKMFMNQVBSAR-OAHLLOKOSA-N 321.396 2.214 0 40 DEAB COc1ccc(-c2n[nH]cc2CNC[C@@H]2CCCN2C)cc1 71828227 LFAUCQJXQJTMCZ-HNNXBMFYSA-N 300.406 2.269 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)c1cc(Cl)c2c(c1)OCO2 42512338 NZOHVZOJKQORGM-SECBINFHSA-N 307.737 2.084 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n[nH]1 57095191 FKPCNZATVQNZPN-LBPRGKRZSA-N 301.394 2.477 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)NC2CCCCC2)cc1 20040174 UWIXJNSSBUKVLQ-UHFFFAOYSA-N 311.403 2.225 0 40 DEAB CCOCCCNC(=O)c1cc(Br)ccc1O 24840310 UDEXCOASZBTAHE-UHFFFAOYSA-N 302.168 2.311 0 40 DEAB O=C(Cc1ccsc1)N1CCN(C(=O)c2cccs2)CC1 25270347 FYVNJAFMWXBGHR-UHFFFAOYSA-N 320.439 2.337 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(CO)cc1 12538689 LJFKYQKICKFSIJ-BETUJISGSA-N 305.374 2.125 0 40 DEAB Cc1nnc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)s1 25900860 RXMNSSUAXUXUDS-SECBINFHSA-N 306.322 2.050 0 40 DEAB CCN(CC)CCNC(=O)C1(c2ccc(F)cc2)CCOCC1 57179449 RYWCMSFCLWINLL-UHFFFAOYSA-N 322.424 2.332 0 40 DEAB Cc1cc(C)c(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(C)c1 27531003 BMTCIIHNBMUGSX-BRWVUGGUSA-N 307.434 2.461 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100403918 CZWNOIFPSYXNRQ-AJNGGQMLSA-N 323.348 2.175 0 40 DEAB Cc1cc2nc(O)c(C(=O)N[C@@H]3CCc4ccccc43)cn2n1 58166350 AALUMUKDJAEXIR-CQSZACIVSA-N 308.341 2.161 0 40 DEAB C[C@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccco1 44894910 JLCHLXLLYPJZSD-LBPRGKRZSA-N 313.357 2.201 0 40 DEAB CC(=O)c1ccc(SCC(=O)Nc2ccn(C)n2)c(F)c1 44872973 BLPQUOXUNRVLPB-UHFFFAOYSA-N 307.350 2.493 0 40 DEAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cn1 12613550 DALGUAVXAKMAEM-UHFFFAOYSA-N 311.341 2.235 0 40 DEAB CCn1cnnc1CNC(=O)N[C@H](C)c1cc(C)ccc1OC 48188364 TWOBXHGRLHFTHU-GFCCVEGCSA-N 317.393 2.175 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccc(N(C)C)nc1 44954672 YDPXQIUWVYQGDD-LBPRGKRZSA-N 302.378 2.171 0 40 DEAB CC(C)CNC(=O)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 44974648 HXLFJHCQFMVKTQ-OAHLLOKOSA-N 324.446 2.041 0 40 DEAB CCOC(=O)c1cnc2c(OC)ccc(Cl)c2c1NCCO 64874730 PVAFEDBOTZYSPT-UHFFFAOYSA-N 324.764 2.478 0 40 DEAB CN(C)CCNC(=O)C1CCN(C/C=C/c2ccccc2)CC1 172159189 AFSSPXRQGIWGRW-RMKNXTFCSA-N 315.461 2.090 0 40 DEAB CS[C@@H]1CCC[C@@H]1N(C)Cc1cc(=O)n2ccccc2n1 110646545 GFXDCBVUZZIACZ-UONOGXRCSA-N 303.431 2.410 0 40 DEAB COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1OC 2442372 ZKPNMRGVXZDDFA-UHFFFAOYSA-N 315.333 2.202 0 40 DEAB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc[nH]n1 48302914 FTIWVFHFRAXPLO-OAHLLOKOSA-N 313.357 2.320 0 40 DEAB O=C(CNCc1cnn(-c2ccc(Cl)cc2)c1)N1CCCC1 48710912 SPFLRRXASFHIQL-UHFFFAOYSA-N 318.808 2.238 0 40 DEAB CC(C)(C)NC(=O)CNC(=O)c1ccc2ccccc2c1O 8877219 KICQJWIWFYJSNO-UHFFFAOYSA-N 300.358 2.190 0 40 DEAB O=C(c1cccs1)N1CCN(Cn2cc(Cl)cn2)CC1 49319917 IWMLSKSFCNUFMR-UHFFFAOYSA-N 310.810 2.014 0 40 DEAB O=C(O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 4157337 VOKVCOKHKXLBPC-URBCHYCLSA-N 303.314 2.070 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1 8973493 YEBRHSLEVKSDSE-UHFFFAOYSA-N 324.428 2.304 0 40 DEAB NC(=O)c1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 4341182 DMSJAMSSGCXLTC-INIZCTEOSA-N 324.380 2.358 0 40 DEAB C[C@@H]1C(=O)N(c2c(Cl)cccc2Cl)C(=O)C[S@]1=O 5211363 WTKIXTDXVDESQT-DMWPKQFHSA-N 306.170 2.004 0 40 DEAB O=S(=O)(NCCCn1ncc2ccccc21)c1ccccc1 71196036 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O=C(O)[C@H]1CCC(=O)N(CCc2cccnc2)[C@H]1c1ccco1 71857697 LIHHRTBNNKQDKQ-XJKSGUPXSA-N 314.341 2.282 0 40 DEAB CC(C)(C)N1C[C@H](C(=O)N2CCc3ccccc3C2)CC1=O 8219101 MBRAJBLMRVRRNC-OAHLLOKOSA-N 300.402 2.218 0 40 DEAB O=C(Cc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1 8297717 ZKWUQGZSNAAKQO-UHFFFAOYSA-N 306.362 2.351 0 40 DEAB CCc1nnc2n1N=C(C)[C@@H](C(=O)Nc1ccccc1)S2 8315741 KUHMGFNMCAUQBH-LBPRGKRZSA-N 301.375 2.178 0 40 DEAB COCCN1CCC(CNc2ncnc3ccccc23)CC1 69665503 DAEPYSKPYCNXHB-UHFFFAOYSA-N 300.406 2.400 0 40 DEAB Cc1ncc(CNC(=O)CCc2ccc(C(=O)O)cc2)s1 97017678 OBKZGCRIPAZLET-UHFFFAOYSA-N 304.371 2.399 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282942 LQAQHGOJSGGMIY-JTQLQIEISA-N 308.769 2.308 0 40 DEAB Cc1ccc(N2CCC[C@@H](N(C)c3ncnc4c3CCC4)C2)nn1 72276310 HALXHPVAMPSPGK-CQSZACIVSA-N 324.432 2.169 0 40 DEAB Cc1cc(C)c(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c(=O)[nH]1 95438285 JOCGIGGZYKGXIV-OCCSQVGLSA-N 312.369 2.286 0 40 DEAB Cc1csc([C@@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 97199626 LDMLJBVDMWWMHT-AWEZNQCLSA-N 317.414 2.124 0 40 DEAB COC(=O)c1ccc(NC(=O)c2[nH]nc3c2CCCC3)cc1F 95417047 LKSVXFMMKQILSJ-UHFFFAOYSA-N 317.320 2.467 0 40 DEAB CSc1ccc(C)c(C(=O)N2CCOC[C@H]2c2ncon2)c1 95981451 DEFMYPRIIVDGQS-ZDUSSCGKSA-N 319.386 2.314 0 40 DEAB O=C(/C=C/c1ccc(Cl)cc1)N1CCOC[C@@H]1c1ncon1 95981446 VSJOKZBXRQUSME-VUUYWXRKSA-N 319.748 2.336 0 40 DEAB O=C(c1cnccn1)N1CCC(Nc2ncccc2Cl)CC1 88724462 HUMPXIWWAKQCAA-UHFFFAOYSA-N 317.780 2.242 0 40 DEAB CCCC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(C)c(O)c2)C1 89439116 ATMUPABWBUEKOA-HNNXBMFYSA-N 318.417 2.150 0 40 DEAB CC1(CCNC(=O)Nc2c(F)cc(F)cc2F)OCCO1 184053895 ZLZUXRVOKJLANG-UHFFFAOYSA-N 304.268 2.379 0 40 DEAB O=c1cc(CN(CCc2ccccc2)[C@@H]2CCOC2)occ1O 89830613 KFWFAHRKPXWCAP-OAHLLOKOSA-N 315.369 2.179 0 40 DEAB c1cnc(NCC[C@H]2CN(C3CCC3)Cc3ccnn3C2)nc1 306126647 FAWKRXWIOLTBNJ-AWEZNQCLSA-N 312.421 2.160 0 40 DEAB O=C(Cc1ccc2c[nH]nc2c1)N1CCC(c2cnc[nH]2)CC1 527013892 ONIUHCCZCUYVBP-UHFFFAOYSA-N 309.373 2.235 0 40 DEAB COC[C@@H](O)CN1CCN([C@@H](C)c2ccc(Cl)cc2)CC1 75863406 MMAYZFQMOKUUGN-BBRMVZONSA-N 312.841 2.026 0 40 DEAB NC(=O)CN1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 72379437 RKBCBNSXFDEFPL-CQSZACIVSA-N 316.792 2.419 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](Cc1ccon1)C(=O)OC(C)(C)C 34465737 ZXADJUXGIJPFLG-NSHDSACASA-N 312.366 2.452 0 40 DEAB NC(=O)c1cccc(C(=O)Nc2c3c(cc4c2CCC4)CCC3)n1 559198863 ZDVBUIKRGCYTLJ-UHFFFAOYSA-N 321.380 2.410 0 40 DEAB COC[C@@H](C)Nc1nc(Nc2ccc(F)cc2)c2n[nH]nc2n1 70655781 BGYLYFLXYWHVIK-MRVPVSSYSA-N 317.328 2.077 0 40 DEAB CC(C)N(CCN)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79391813 XKKYZZYNKUJDJE-MRXNPFEDSA-N 305.422 2.067 0 40 DEAB CN(CC1CCN(CC(=O)O)CC1)C(=O)OCc1ccccc1 79413708 VZEQOHIIVISCGV-UHFFFAOYSA-N 320.389 2.052 0 40 DEAB Cc1cc(C(F)(F)F)nc(CCNC(=O)c2cc(C)on2)n1 75170646 LHQJIVRHLTVXAQ-UHFFFAOYSA-N 314.267 2.073 0 40 DEAB CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)CN 79393803 DEFNQEILKZXQAF-IRXDYDNUSA-N 303.450 2.283 0 40 DEAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCS(C)(=O)=O)C1 75134812 WDEGQWRDXBOEQK-BXUZGUMPSA-N 313.394 2.170 0 40 DEAB Cc1ccc(N2Cc3nc(N4CCOCC4)ncc3C2=O)cc1C 46088779 UOPINMSKUJZONN-UHFFFAOYSA-N 324.384 2.090 0 40 DEAB Cc1ccccc1[C@H]1CCCN1CCc1cn(CC(=O)O)nn1 568521563 YUGRMQIQEWUIPN-MRXNPFEDSA-N 314.389 2.051 0 40 DEAB CCOC(=O)[C@@H](N)Cc1c[nH]c2ccc(Br)cc12 44341043 SFZGEFLYBJGMPV-NSHDSACASA-N 311.179 2.363 0 40 DEAB COc1ccccc1/C(C)=C/C(=O)N(C)C1CCS(=O)CC1 81833621 VUYPEDTVMTXXSH-OUKQBFOZSA-N 321.442 2.468 0 40 DEAB CCN(C)C(=O)[C@@H](C)NC(=O)N[C@@H]1CCCc2cc(F)ccc21 191328321 ATCUWXCMWMAZTB-IAQYHMDHSA-N 321.396 2.369 0 40 DEAB OCCn1cc(-c2ccc(I)cc2)cn1 85391189 QPVPDJYDTWNZKB-UHFFFAOYSA-N 314.126 2.147 0 40 DEAB COC1(C(F)(F)F)CCN(c2ncnc(N)c2Cl)CC1 576966373 NSBCDMMTDBTWEC-UHFFFAOYSA-N 310.707 2.260 0 40 DEAB CC(C)C[C@H](C(=O)N(C)c1ccccn1)N1CCCCC1=O 87170661 WEKVAOJRCVWKBM-CQSZACIVSA-N 303.406 2.472 0 40 DEAB COc1ccc(N2C[C@]3(CCN(c4cnccn4)C3)CC2=O)cc1 96238978 BJQRXPQYQXGLQU-GOSISDBHSA-N 324.384 2.119 0 40 DEAB Cc1nc(N2CCOCC2)nc2c1CN(CCC(C)C)CC2 96253884 ONFBVAGWMNLGIH-UHFFFAOYSA-N 304.438 2.026 0 40 DEAB 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CCn1ccnc1CN1CCN(CC2(O)CCCCC2)C[C@@H]1C 72253914 ZTJBRMNASADPLE-INIZCTEOSA-N 320.481 2.104 0 40 DEAB C[C@@H](NC(=O)N[C@H]1CCSc2ccccc21)c1nncn1C 43166225 LTNFXVXIFSLBGF-PWSUYJOCSA-N 317.418 2.412 0 40 DEAB CC(C)[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 9762300 GJIBOVZKQLYOSH-LBPRGKRZSA-N 310.419 2.136 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)NC[C@@H]1C[C@H]2CC[C@H]1C2 107050729 ZCKJZHVOAXLXEH-DHSUFXDVSA-N 300.468 2.269 0 40 DEAB O=C(Nc1cccnc1)C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 72294324 BZTYJBFLLLYVHT-UONOGXRCSA-N 315.760 2.346 0 40 DEAB COc1c([C@H]2CCCN2C(=O)c2c(C)noc2C)c(C)nn1C 72234294 QJHOUXOGOLQFHJ-GFCCVEGCSA-N 318.377 2.319 0 40 DEAB C[C@H](Cc1ccc(O)cc1)NC(=O)NCc1nc(C2CC2)no1 56771280 XRJVUTOOECFFMP-SNVBAGLBSA-N 316.361 2.083 0 40 DEAB COc1cc2c(cc1OC)CCN(C(=O)Nc1cn[nH]c1)CC2 57029919 LVHFMFPIEPXHMK-UHFFFAOYSA-N 316.361 2.060 0 40 DEAB O=C(COC(=O)c1ccc(O)cc1)Nc1c(F)cccc1F 3276198 FPIADAGYZCKDOJ-UHFFFAOYSA-N 307.252 2.466 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CNc1cc(F)c(F)c(F)c1 72296269 NOZDQAAPYUSFSL-UHFFFAOYSA-N 303.284 2.140 0 40 DEAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1ccc(Br)o1 44317583 OIVIHRXZXKXSPE-VIFPVBQESA-N 313.195 2.256 0 40 DEAB Clc1cccc(-c2noc(N[C@H]3CCc4ncnn4C3)n2)c1 108948251 YWOSQGBAWBMFFS-NSHDSACASA-N 316.752 2.408 0 40 DEAB Cc1nc(C(=O)Nc2nc[nH]n2)nn1-c1ccccc1C(C)C 58178519 IONWKDTTZIVELL-UHFFFAOYSA-N 311.349 2.070 0 40 DEAB Cc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)no1 10253674 KYCYPJRLKXUYHJ-UHFFFAOYSA-N 308.359 2.417 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2cnnn2)cc1 3357171 PCOOFHQFCKJVAJ-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)[C@H]1CCCO1 44910410 XPJIITYFEKWMIS-GXTWGEPZSA-N 320.389 2.167 0 40 DEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2cc3ccccc3[nH]2)C1 58377705 CJKYCIDWWMGKGQ-STQMWFEESA-N 321.446 2.480 0 40 DEAB CC(C)c1nc(C(=O)NC2(c3ncon3)CCOCC2)cs1 97108967 KFWREVDAPOSYFT-UHFFFAOYSA-N 322.390 2.085 0 40 DEAB CC(C)(CCCO)CNC(=O)c1ccc(-c2ccco2)[nH]c1=O 95459343 AISBWOTYFMUPRJ-UHFFFAOYSA-N 318.373 2.163 0 40 DEAB 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DEAB CCN(CC)C(=O)CSc1nc(-c2ccccc2)cn1N 6609358 BYZYXHXOFXTIKP-UHFFFAOYSA-N 304.419 2.224 0 40 DEAB C[C@@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C1CC1 66546398 ARLXPQXRCXUJFY-LLVKDONJSA-N 309.387 2.182 0 40 DEAB CC1(C)CN(Cc2ccccc2OCC2CC2)CCS1(=O)=O 93735569 KAUHVPZRHMLEGV-UHFFFAOYSA-N 323.458 2.484 0 40 DEAB CN(Cc1c[nH]nc1-c1cccc(Cl)c1)Cc1ncnn1C 93810866 ABUFJLXIJFIKBR-UHFFFAOYSA-N 316.796 2.491 0 40 DEAB NC(=O)COc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 9479711 BIHPFEMWABUXTI-QGZVFWFLSA-N 324.380 2.358 0 40 DEAB Cc1nc(CCNC(=O)c2c3c(nn2C)CCCC3)sc1C 67819933 ZVFKLIUBFUWSKW-UHFFFAOYSA-N 318.446 2.345 0 40 DEAB COc1ccccc1CN(CCO)C(=O)c1cc2occc2[nH]1 95443509 BYRKXQRWVJFMTP-UHFFFAOYSA-N 314.341 2.404 0 40 DEAB O=C1CC[C@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)N1 68211138 QALZCXDCIYQWKW-OAHLLOKOSA-N 318.392 2.422 0 40 DEAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)C1CCN(C)CC1 68467880 ACRWULPNLSZWBK-NSHDSACASA-N 312.360 2.285 0 40 DEAB Cc1ccc2nc(CNC(=O)N3C[C@@H](C)OC(C)(C)C3)cn2c1 68547996 RFDVXNCZIMKGRC-CYBMUJFWSA-N 316.405 2.352 0 40 DEAB CCOC(=O)CCc1ccc(NC(=O)c2cc(C)n[nH]2)cc1 96417094 RZMJFUCSNMCAEX-UHFFFAOYSA-N 301.346 2.466 0 40 DEAB O=C(/C=C/c1cccnc1)NCC[S@@](=O)c1ccccc1 71893734 HFONOMDLWZCVFS-SHBDEGQCSA-N 300.383 2.019 0 40 DEAB COc1ccc(NC(=O)C2(C)CCCC2)cc1-n1nnnc1C 69513310 GKRDCFNPNINDRM-UHFFFAOYSA-N 315.377 2.498 0 40 DEAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)C)c2)c1 17395811 MZKAYKNNZKWABQ-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB O=C(CN1CCC[C@@H]1Cn1cccn1)NCCC1=CCCCC1 69622356 WVAWQDYDKMMFHC-QGZVFWFLSA-N 316.449 2.354 0 40 DEAB Cc1ccccc1[C@H](C(C)C)N(C)C(=O)CSCC(N)=O 71900798 SBZIZIFPTVITNY-INIZCTEOSA-N 308.447 2.369 0 40 DEAB Cn1cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)cn1 8547020 UOJQNLZZWVJXFA-UHFFFAOYSA-N 318.720 2.481 0 40 DEAB CCn1ccnc1CN1CCC[C@H](Cn2nc(C)nc2C)C1 69818192 JROZFJLFZOOYIK-HNNXBMFYSA-N 302.426 2.024 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2cccnc2SC)c1 8776302 QWTQETGSILXBAG-UHFFFAOYSA-N 301.371 2.415 0 40 DEAB CCc1cccc(C)c1NC(=O)CN(C)CCc1cnccn1 95458247 MLNANDQHPZNSAP-UHFFFAOYSA-N 312.417 2.460 0 40 DEAB C[C@@H](NC(=O)Nc1cccn(C)c1=O)[C@H]1COc2ccccc21 95437926 AJGGRGDYYYHCSL-DGCLKSJQSA-N 313.357 2.072 0 40 DEAB O=C(Nc1nncn1-c1ccccc1)c1cnc2ccccn12 95988447 KAKFBXLNNTZPHZ-UHFFFAOYSA-N 304.313 2.167 0 40 DEAB COc1c(Br)cccc1CCNC(=O)c1cc[nH]n1 89280967 NHIIAXZUDYDNQQ-UHFFFAOYSA-N 324.178 2.153 0 40 DEAB COc1ccc(OC)c(NC(=O)N[C@H](C)c2cnn(C)c2)c1 27919339 SENAOVHRSZZQRI-SNVBAGLBSA-N 304.350 2.320 0 40 DEAB CCOC(=O)c1c(I)cnn1CC(C)C 408716701 PXFJJGSNCGZGTG-UHFFFAOYSA-N 322.146 2.320 0 40 DEAB C[C@@H](CNC(=O)NC[C@@H]1CCCOC1)Oc1ccccc1F 175747862 AMFJEAKLIPIWGK-STQMWFEESA-N 310.369 2.319 0 40 DEAB Cc1ccc(CCC(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)o1 548670184 KKBTYALLLYRYEC-XJKSGUPXSA-N 317.389 2.291 0 40 DEAB CCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NC(C)C 408709348 QZFXJBPGXCNQEY-UHFFFAOYSA-N 319.405 2.070 0 40 DEAB O=C(Nc1cc2ccccn2n1)N1CCCC[C@H]1c1ncc[nH]1 554534980 OZZQWVKEOFZHEM-ZDUSSCGKSA-N 310.361 2.817 0 40 DEAB CCN(C[C@@H]1CCCN1CCN)C(=O)OCc1ccccc1 79411544 YYCMWUITTXXRGJ-INIZCTEOSA-N 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Cn1ccc2c(C(=O)Oc3cccc(CC(N)=O)c3)cccc21 96420368 POWZGPGCNKTXKU-UHFFFAOYSA-N 308.337 2.425 0 40 DEAB COc1ccc(CCc2n[nH]c(NC(=O)c3cccnc3)n2)cc1 95476981 NPWMQKXGOCWTLI-UHFFFAOYSA-N 323.356 2.246 0 40 DEAB COC(=O)CCCN(C)S(=O)(=O)c1ccc(F)c(Cl)c1 51768863 IJEVILIFYBISQV-UHFFFAOYSA-N 323.773 2.053 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 257335782 YLVVUOCPXDYZEP-AWEZNQCLSA-N 324.388 2.355 0 40 DEAB Cc1cc([C@H]2CCCCN2Cc2nccn2C)nc2nccn12 257221867 DQVZQZMUAAGMIA-OAHLLOKOSA-N 310.405 2.498 0 40 DEAB Cc1csc(C(=O)N2CC[C@H](Oc3ncc(F)cn3)C2)c1 390828754 UAGDZZICYIYMHT-NSHDSACASA-N 307.350 2.279 0 40 DEAB C[C@@H]1C[C@H](Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CS1 585141278 SQAMOOIVMIQSFQ-KCXAZCMYSA-N 319.474 2.442 0 40 DEAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)N(C)C)C3)n1 585105080 OZYNXOYEECNQEH-AWEZNQCLSA-N 321.446 2.148 0 40 DEAB C=CC(=O)Nc1ccc(C(=O)N2CCC(C(C)(C)O)CC2)cc1 1557966807 BONOUGKUEDLNNB-UHFFFAOYSA-N 316.401 2.434 0 40 DEAB O=C(CN1CCCOC1=O)N[C@H]1CCC[C@@H]1c1ccc(F)cc1 84613715 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40 DEAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)C(=O)NCc1cccs1 30005622 MRBCVSFMWKSYIO-VIFPVBQESA-N 316.386 2.035 0 40 DEAB CN(C(=O)CNC(=O)C1CCCC1)[C@H]1CCc2ccccc21 30728847 COQRPNLLZCQQKF-INIZCTEOSA-N 300.402 2.439 0 40 DEAB CN(Cc1nccn1C(F)F)C(=O)c1n[nH]c2ccccc12 31153026 KRZIXOTZPUVUTC-UHFFFAOYSA-N 305.288 2.427 0 40 DEAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OCCO2 31662511 PXZLEIGBIUJBBO-QMMMGPOBSA-N 305.252 2.364 0 40 DEAB O=C(O)c1ccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)cc1 100856704 LLBYTLGUYITGSH-AWEZNQCLSA-N 310.309 2.129 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(C)c(F)c2)C1 40539285 SUOQDTTZZXKBNG-ZDUSSCGKSA-N 308.353 2.485 0 40 DEAB CCOC(=O)c1ncn(Cc2ccccc2)c1C(=O)OCC 387428 BFJTWITVMMZWRP-UHFFFAOYSA-N 302.330 2.285 0 40 DEAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccccc1-n1cnnn1 32721508 JSTVBVVPAJJDCM-UHFFFAOYSA-N 323.400 2.217 0 40 DEAB O=C(Cc1noc2ccccc12)NC[C@@H]1COc2ccccc2O1 32747508 PVSUGOBPNSNPQE-GFCCVEGCSA-N 324.336 2.327 0 40 DEAB CC(C)(C)CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1 32809831 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321.808 2.297 0 40 DEAB Cc1cccc(N2CCN(c3cn[nH]c(=O)c3Cl)CC2)c1 12534627 MFAPWEYIRQRBLR-UHFFFAOYSA-N 304.781 2.058 0 40 DEAB O=C(Cc1ccsc1)N1CCC(c2nnc3n2CCC3)CC1 57144961 DULPCKQRSUDMCT-UHFFFAOYSA-N 316.430 2.235 0 40 DEAB CCc1cccc(CC)c1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101699837 NTFUABHGAJEVJE-XQLPTFJDSA-N 315.369 2.404 0 40 DEAB CCOc1ccc(NC(=O)CNC(=O)COC2CCCC2)cc1 58197901 ZSUYDIXBPDMNOW-UHFFFAOYSA-N 320.389 2.099 0 40 DEAB CC(=O)N1CCCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1 58158391 ANDVZNCVQDIPEH-UHFFFAOYSA-N 303.337 2.001 0 40 DEAB Cc1c(C(=O)N[C@H]2CCCNC2=O)oc2c(Cl)cccc12 58181990 JWQFYTJFYJLVJO-NSHDSACASA-N 306.749 2.403 0 40 DEAB CCN(C(=O)[C@H]1CCCc2ccccc21)[C@H]1CC(O)=NC1=O 58289527 ZJIOFLOVFGWXMM-KBPBESRZSA-N 300.358 2.210 0 40 DEAB O=C(c1ccc2cc[nH]c2c1)N1CCN(C[C@H]2CCCO2)CC1 58218346 DHIZVTJTXDSLOX-MRXNPFEDSA-N 313.401 2.105 0 40 DEAB Cc1cc(NC(=O)NCCN2CCc3ccccc3C2)no1 44908401 VFLMQGWPGQTCQX-UHFFFAOYSA-N 300.362 2.163 0 40 DEAB CC(C)N(Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)CN 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C[C@@H](NC(=O)N1CCC(c2ccccc2)CC1)c1nncn1C 65440753 ONEOFYMTTJLSEY-CYBMUJFWSA-N 313.405 2.465 0 40 DEAB COCCOCc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 65494240 SHFDPPLHTRPAOG-INIZCTEOSA-N 322.405 2.492 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)Nc2cccc(F)c2)n1 5326820 VAYHRHBZTKODJF-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB Cn1nc(-c2ccccc2)c(C(=O)N2CCOCC2)c1Cl 5669952 QRGASZZXZZDFTN-UHFFFAOYSA-N 305.765 2.213 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](C(=O)Nc3cccnc3)C2)n1 4859011 FOHLFDNTIZBZAS-CQSZACIVSA-N 311.389 2.344 0 40 DEAB NC(=O)c1cccc(CCNC(=O)N2CCc3ccccc32)c1 72083548 VOIUHXODRZIHIZ-UHFFFAOYSA-N 309.369 2.100 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c1 6939770 YXGDPGQEOKIBEX-LBPRGKRZSA-N 318.398 2.456 0 40 DEAB O=C(CCNCc1cccc2c1OCCCO2)NC1CCCC1 67221457 JSCOVUDGAGAISN-UHFFFAOYSA-N 318.417 2.386 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 7989360 KMHHGJYTMNEDNM-SNVBAGLBSA-N 316.357 2.483 0 40 DEAB Cc1cc(C(=O)N2CCCN(Cc3ccccc3F)CC2)no1 69561616 WLIZVGSCVRJUSB-UHFFFAOYSA-N 317.364 2.470 0 40 DEAB Cc1cccc(-c2nnc([C@@H](C)N[C@H]3CCc4ncnn4C3)o2)c1 69709258 INFPNAVRPOXJAT-OCCSQVGLSA-N 324.388 2.302 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1c[nH]nc1-c1ccccc1)CC2 69772496 ZRJNDQYUHABLNH-HNNXBMFYSA-N 308.389 2.081 0 40 DEAB c1coc(-c2nc(CNC[C@H]3CN(C4CC4)CCO3)cs2)c1 71880856 WVLUCNJETNANRX-AWEZNQCLSA-N 319.430 2.356 0 40 DEAB CC(C)c1cc(NC(=O)CN[C@H](C)[C@H](C)n2cccn2)on1 69902079 XDTQBTLFEMXNIP-NEPJUHHUSA-N 305.382 2.172 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cc(F)cc2cccnc12 69900438 VCQPGUPFCRJNBJ-YPMHNXCESA-N 301.365 2.460 0 40 DEAB NC(=O)[C@@H]1CCCN1c1nc(C(F)(F)F)nc2ccccc12 8708712 QFJVPOCKKZHEFV-JTQLQIEISA-N 310.279 2.103 0 40 DEAB Cc1nc(CN2CCCN(C(=O)c3ccccn3)CC2)oc1C 71841061 BAPOOUFAEPSORP-UHFFFAOYSA-N 314.389 2.035 0 40 DEAB O=C(O)CCN(Cc1cccc(F)c1F)C(=O)c1ccc[nH]1 97018126 DINVSFKRTKTWHE-UHFFFAOYSA-N 308.284 2.410 0 40 DEAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CC[C@@H](O)C1 97085221 FAHJEAXRCZXZRT-LLVKDONJSA-N 306.753 2.124 0 40 DEAB Cc1noc([C@H](C)NC[C@@H](c2cccs2)N2CCOCC2)n1 72276592 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CC1(C)CCCN1C(=O)NC[C@@]12CNC[C@]1(C(F)(F)F)C2 1551539156 DBXYTAZBGIUIFG-CHWSQXEVSA-N 305.344 2.112 0 40 DEAB CC(C)OC1CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551500420 ZDPSBRFZBNULCM-IAGOWNOFSA-N 317.433 2.210 0 40 DEAB O=C(Nc1ccc(CNC(=O)n2ccnc2)cc1)c1ccco1 32627597 XVAKLCPCYVDASS-UHFFFAOYSA-N 310.313 2.486 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 32639806 QDKULFPTXNMWOW-STQMWFEESA-N 310.444 2.090 0 40 DEAB O=C1NCC[C@@H]1Nc1nc(-c2ccccn2)nc2sccc12 1559244793 BPGJLEAAJLMZRP-NSHDSACASA-N 311.370 2.054 0 40 DEAB CC(C)N(C[C@@H]1CCCN(CCO)C1)C(=O)OC(C)(C)C 79408122 VNRCECBATMXGGZ-CQSZACIVSA-N 300.443 2.336 0 40 DEAB CS(=O)(=O)N(Cc1ccc(F)cc1)Cc1ccc(C=O)o1 49467153 MLANFOKVNUPKKK-UHFFFAOYSA-N 311.334 2.193 0 40 DEAB Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1CCSC1 195547203 GEIUOEJKKSIBQT-UHFFFAOYSA-N 307.341 2.138 0 40 DEAB O=C(CC1C[C@@H]2CC[C@@H](C1)N2)NCc1cccc(-n2cccn2)c1 195543561 NEJUHHUKFCLXEQ-IRXDYDNUSA-N 324.428 2.409 0 40 DEAB CN(C)c1cc(CN2C(=O)N(C)C3(CCCCC3)C2=O)ccn1 195580563 JSHASDHRRAHGSN-UHFFFAOYSA-N 316.405 2.245 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)N)C2)sc1C 195555282 CNHCQEFDWTWTAF-PWSUYJOCSA-N 302.465 2.113 0 40 DEAB C[C@@]1(O)CCN[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 514289692 BHMZADBTGRCRBW-YQQAZPJKSA-N 316.426 2.332 0 40 DEAB biogenic,in-vitro O=C1C[C@]2(CCSC2)C(=O)N1CCc1ccc(F)c(F)c1 96496135 GVVJLOLOPPGWGS-HNNXBMFYSA-N 311.353 2.390 0 40 DEAB Cn1nnc2c1[C@@H](COCc1ccccc1)CN(CC1CC1)C2 96060816 UBGHXSDBIZYHAS-MRXNPFEDSA-N 312.417 2.341 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H]1NCCCc1cc(F)cc(F)c1 96491754 IESAKJYTCBADTM-GJZGRUSLSA-N 317.401 2.453 0 40 DEAB c1cc(CN2CCCn3nnc(COCC4CC4)c3C2)co1 96058840 QLLIYFSAYABUQH-UHFFFAOYSA-N 302.378 2.204 0 40 DEAB O=C1C[C@@]2(CCN(c3nncs3)C2)CN1c1ccccc1 96238362 GPXSDSHUYKNDBR-OAHLLOKOSA-N 300.387 2.172 0 40 DEAB CCn1ncc2c1[C@@H](COC)CN(C(=O)c1ccoc1C)C2 96060160 WRVQPFGMVAMZBH-CYBMUJFWSA-N 303.362 2.190 0 40 DEAB CCCS(=O)(=O)NC[C@H](O)c1ccc(Cl)cc1Cl 96417497 CNLADKWCCZILLS-NSHDSACASA-N 312.218 2.356 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](Nc3ccnc(C)n3)C2)c1 96449454 MXBSNZSBRLKZMH-CYBMUJFWSA-N 314.389 2.493 0 40 DEAB Cc1nnc(NC(=O)c2cc(C(C)C)nc(N(C)C)n2)s1 96101228 UBPQANXWCIXWSP-UHFFFAOYSA-N 306.395 2.078 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1cccs1)C2 96039063 JSYHVOMKDKNAHI-GOEBONIOSA-N 309.431 2.335 0 40 DEAB O=C(Nc1cccc(F)c1)[C@@H]1[C@H]2C[C@H]1N(C(=O)c1ccc[nH]1)C2 247459144 AASGCJZMCJLTQK-COLVAYQJSA-N 313.332 2.253 0 40 DEAB O=C(c1ccc(Cl)cc1)N1CCC2(CC1)OCCC[C@H]2O 257261310 LGRKYJAYOALJTR-CQSZACIVSA-N 309.793 2.486 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)CN(C)C3CCCC3)C2)n1 257210804 BWGHYNDVKPGYBD-OAHLLOKOSA-N 316.449 2.365 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 257324871 WQNPOQRQGIIHDT-GFCCVEGCSA-N 314.389 2.225 0 40 DEAB O=C(c1ccnc(N2CCCC2)c1)N1CC[C@H](c2ccn[nH]2)C1 257256171 KKJGDRWUTSJKTO-AWEZNQCLSA-N 311.389 2.035 0 40 DEAB CCc1nccn1CCC(=O)N1CCCC[C@@H]1c1ccn[nH]1 257344230 ZWEYYFFRIHEKDL-CQSZACIVSA-N 301.394 2.313 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cn2cnc3ccccc32)C1 257327121 XABFHBOVWHLUFU-CYBMUJFWSA-N 309.373 2.084 0 40 DEAB COc1ccccc1[C@H]1CN(Cc2[nH]cnc2C)CCN1C 257254384 KCVAXNDJIYZRND-MRXNPFEDSA-N 300.406 2.215 0 40 DEAB COc1ccc(F)cc1C(=O)N1CCO[C@@H](c2ccncc2)C1 257343555 ZTMAYHJKYNZSFO-MRXNPFEDSA-N 316.332 2.443 0 40 DEAB COc1ncccc1C(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390828506 RMHZVMIYIWJGQX-ZDUSSCGKSA-N 316.361 2.108 0 40 DEAB O=C(CCc1nc(-c2ccncc2)no1)Nc1ccccc1O 29065692 ONKCSHBPBVRNIL-UHFFFAOYSA-N 310.313 2.409 0 40 DEAB OC[C@@H]1CCCN1C1CCN(c2cnc3ccccc3n2)CC1 1776001218 FYZRFDGWAXZGBW-HNNXBMFYSA-N 312.417 2.055 0 40 DEAB COc1ccccc1O[C@H](C)CNC(=O)[C@H]1CCCCN1C 96431678 ATXSSBKBXZEFBX-ZIAGYGMSSA-N 306.406 2.063 0 40 DEAB Cc1cc2ccccc2n1CC(=O)NC1(C(N)=O)CCCCC1 77641641 KQQPDNKVNDLDRL-UHFFFAOYSA-N 313.401 2.254 0 40 DEAB C[C@H](CC[C@@H]1CCCO1)NC(=O)N(C)[C@@H]1CCN(C)C[C@H]1C 108099862 DGNGTOLYHVFCMW-LVQVYYBASA-N 311.470 2.316 0 40 DEAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)[C@H]1C[C@H]2CC[C@H]1O2 108366759 JCERAKZZCZWYLZ-HPAJIGNASA-N 305.349 2.471 0 40 DEAB CCCCNC(=O)COC(=O)CSc1nc2ccccc2o1 5969615 KZDYSFXRGRIVKF-UHFFFAOYSA-N 322.386 2.379 0 40 DEAB CCOC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC1 16034683 VUGPLVDLLNMNNX-HNNXBMFYSA-N 315.373 2.104 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O 17032257 GKDUQVYCDVXQRK-JLUCKKNBSA-N 311.337 2.175 0 40 DEAB COC(=O)CN1C(=O)/C(=C/c2cc(C)n(C)c2C)SC1=S 8334167 IQMRABSRFSUZNF-WDZFZDKYSA-N 324.427 2.016 0 40 DEAB CC(C)[C@H](C)NC(=O)Cn1ccnc1[C@@H](O)c1ccccc1 154862243 AUHHYEUNKCVVJP-BBRMVZONSA-N 301.390 2.126 0 40 DEAB Cc1ccc(O[C@H]2CCCN(C(=O)c3csc(C)n3)C2)nn1 225459755 YZONXJYWFYECMW-LBPRGKRZSA-N 318.402 2.234 0 40 DEAB c1ccc(CN2C[C@H]3CN(c4ccn5nccc5n4)C[C@H]3C2)cc1 1888890133 VQRLHGDWQBJZCJ-CALCHBBNSA-N 319.412 2.298 0 40 DEAB Cc1ccc(C(=O)N2CCN(C=O)C[C@@H]2c2ccccc2)cn1 1848356746 OFLFJBOZIAIQSG-QGZVFWFLSA-N 309.369 2.046 0 40 DEAB O=C1OCCN1[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 853806582 LAOKCGMSHSXVGS-SECBINFHSA-N 301.268 2.131 0 40 DEAB COc1ccc2cc(CCNC(=O)CC(C)C)c(=O)[nH]c2c1 3911775 GPAXEJVOZBSASV-UHFFFAOYSA-N 302.374 2.242 0 40 DEAB Cc1nc2sccn2c(=O)c1NC(=O)COc1ccccc1 8931615 YPQZZJRPXWRXPP-UHFFFAOYSA-N 315.354 2.082 0 40 DEAB COc1ccc(C(=O)NCc2nnnn2C2CCCCC2)cc1 10594144 YGQJEKJICRZHNP-UHFFFAOYSA-N 315.377 2.117 0 40 DEAB O=C(NCCn1ccn2nccc12)c1nc2ccccc2s1 206743366 WFQIGEFXJONSSM-UHFFFAOYSA-N 311.370 2.176 0 40 DEAB Cn1nccc1-c1nn2c(Cc3ccc(F)cc3)nnc2s1 44922121 NKEFXVZICIQFBC-UHFFFAOYSA-N 314.349 2.316 0 40 DEAB O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)Nc1ccc(Cl)cc1 13147706 ZXXGOPZHCDRFBS-STQMWFEESA-N 318.760 2.230 0 40 DEAB O=C(CCc1cccs1)N[C@H]1CCCN(c2ncccn2)C1 40553698 UNKKQOLIMAMKNR-ZDUSSCGKSA-N 316.430 2.256 0 40 DEAB COc1ccc([C@H]2CC(=O)NC3=C2C(=O)OC3(C)C)c(F)c1 101717767 HDWJJYJRPFDHTC-SNVBAGLBSA-N 305.305 2.027 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2Nc1nc(N)nc2[nH]ncc12 32598294 BRJFEBPZWIPUEG-ZDUSSCGKSA-N 310.361 2.433 0 40 DEAB C[C@H]1C[C@@H](OC(=O)CCc2nc3ccccc3s2)C(=O)O1 32736364 BTQAXBROXWBDKE-GXSJLCMTSA-N 305.355 2.476 0 40 DEAB 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FC(F)(F)c1nnc2ccc(SC3=NCCS3)nn12 1415346 ZOLDTGAPRDHFCW-UHFFFAOYSA-N 305.310 2.338 0 40 DEAB COCCn1ccc(NC(=O)NC(C)(C)c2nc(C)cs2)n1 77440280 QDMOOCCKKCYIBE-UHFFFAOYSA-N 323.422 2.351 0 40 DEAB COc1ccc(/C=C2\SC(=O)N(CN(C)C)C2=O)cc1OC 33337749 ZUJLRJNZHBBWTI-JYRVWZFOSA-N 322.386 2.259 0 40 DEAB CN(C(=O)COC(=O)Cn1cnc2ccccc21)c1ccccc1 3306447 WHTSAVGJHNCIEE-UHFFFAOYSA-N 323.352 2.243 0 40 DEAB CC(C)NC[C@@H](O)COc1ccc(OCCOCC2CC2)cc1 4212476 JNDJPKHYZWRRIS-MRXNPFEDSA-N 323.433 2.230 0 40 DEAB in-man COC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 4279620 CUFRZKWDNHHNAV-LZWOXQAQSA-N 321.417 2.476 0 40 DEAB FC(F)(F)CN1CC[C@@H](NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)C1 104056896 PTMRQLBDYFMEJC-YFKTTZPYSA-N 321.412 2.276 0 40 DEAB O[C@@]1(c2ccccc2)[C@@H]2[C@@H]3[C@@H](C4OCCO4)[C@H]4[C@H]5C[C@H]([C@@H]2[C@H]53)[C@H]41 104202501 ZYWAORRECHWNCD-YINCMWAASA-N 310.393 2.251 0 40 DEAB Cc1csc(NC(=O)C2CCN(C[C@@H]3CCOC3)CC2)n1 54236115 BGMCVVQGQGLZCS-LBPRGKRZSA-N 309.435 2.139 0 40 DEAB C[C@H](NC(=O)CCNC(=O)c1ccco1)[C@@H]1C[C@H]2CC[C@H]1C2 104657475 FFGIXKFWQSAGPK-XUXIUFHCSA-N 304.390 2.340 0 40 DEAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccncc1 9220352 MKLGWFNUPNXRNB-GFCCVEGCSA-N 319.386 2.165 0 40 DEAB CCCc1sc(C(=O)N2CCN(CCO)CC2)cc1CC 35107334 DJAQUSSUFIISDE-UHFFFAOYSA-N 310.463 2.013 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 3266541 YMKWEVGASHFOOA-UHFFFAOYSA-N 317.370 2.009 0 40 DEAB CCS(=O)(=O)N1[C@H](COc2ccc(F)cc2)[C@@H]2CC[C@@H]1C2 100113139 USMFCRCFQNUNJL-UXIGCNINSA-N 313.394 2.407 0 40 DEAB COCCNC(=O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 48055679 ZDMBZNGYRXATPH-SWLSCSKDSA-N 306.406 2.130 0 40 DEAB CCCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(C)C)c1 12689737 IMBWIGOSISKKPH-UHFFFAOYSA-N 314.407 2.074 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3sccc3C)CC2)on1 48230301 XCCXFPNZRDRCPB-UHFFFAOYSA-N 305.403 2.311 0 40 DEAB CC[C@@](C)(NC(=O)/C=C/c1cc(OC)cc(OC)c1)C(=O)OC 58222979 VOOZMCNHAZFTIM-IWAYRVGRSA-N 321.373 2.175 0 40 DEAB O=C(CN1CCCN2CCC[C@@H]2C1)N1CCCc2ccccc21 58378189 IAJWTMAVYYPBMP-QGZVFWFLSA-N 313.445 2.136 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Sc2nnnn2C2CCCC2)on1 11010636 HCUKUPVROLPQFK-VIFPVBQESA-N 322.394 2.204 0 40 DEAB Cc1ccc(C(=O)N[C@H](C(=O)NCC(F)(F)F)C(C)C)cc1 12742157 FLCKJJRTPBZCKJ-LBPRGKRZSA-N 316.323 2.428 0 40 DEAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1O 3512614 WCOLHMFQZPAWGQ-UHFFFAOYSA-N 313.309 2.390 0 40 DEAB Cc1cccc(NC(=O)c2ccc(S(N)(=O)=O)cc2)c1C 8751393 DGYUKEZCTDOBEU-UHFFFAOYSA-N 304.371 2.203 0 40 DEAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)O)cc2)o1 13089527 WIGLIIWRYWSMRD-JTQLQIEISA-N 309.343 2.326 0 40 DEAB COC(=O)COc1ccccc1[C@@H]1CC(O)=Nc2c1cnn2C 49544510 CPDIWDQOAYJMLV-NSHDSACASA-N 315.329 2.096 0 40 DEAB CCc1cc2c(=O)n(CC(=O)N3CCC[C@@H](C)C3)cnc2s1 19356392 NILCUEWZCJGLSG-LLVKDONJSA-N 319.430 2.279 0 40 DEAB COC[C@H](O)CN(C)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 65444467 GPTNJYTXWRNWAX-TZMCWYRMSA-N 324.421 2.250 0 40 DEAB CCOc1nnc(CN2CC[C@@H](CNc3ccccn3)C2)s1 65463449 IQLGSTOTMDXJRU-LBPRGKRZSA-N 319.434 2.266 0 40 DEAB Cc1cc(NC(=O)CS(=O)(=O)c2ccc(Cl)cc2)no1 4496174 KFFMIYIKDFOMQB-UHFFFAOYSA-N 314.750 2.049 0 40 DEAB CN(C)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 6948848 VJJWZYDSXPBQSB-UHFFFAOYSA-N 310.401 2.110 0 40 DEAB CCOc1ccc2c(c1)CN(C(=O)c1c[nH]c(C)cc1=O)CC2 81301507 FNADKVNQJQOZOM-UHFFFAOYSA-N 312.369 2.281 0 40 DEAB CCOC[C@@H]1CCN(C(=O)c2cnc3nc(C)ccc3c2O)C1 81467728 KYOQGGROJAPTJS-GFCCVEGCSA-N 315.373 2.142 0 40 DEAB Cn1ccc(CNC(=O)NCc2ccccc2-n2ccnc2)c1 81488105 SBDCZBLVLJSWFE-UHFFFAOYSA-N 309.373 2.210 0 40 DEAB COc1ccc(CNC(=O)c2cnn(-c3ccccc3)n2)cc1 8272422 FFUKOACVHYSYKA-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB COc1cc(CN[C@H](C)Cn2cccn2)c2c(c1)C[C@H](C)O2 69376767 LKGIFUBPBNVGNP-OLZOCXBDSA-N 301.390 2.393 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc2ccccc2n1 69600186 HFGYSONFXHCVQA-SJORKVTESA-N 310.401 2.329 0 40 DEAB Cc1cn2nc(NCC[S@](=O)c3ccccc3F)sc2n1 69772713 MTTQBTDMDRUHCI-OAQYLSRUSA-N 324.406 2.458 0 40 DEAB CC(C)NC(=O)[C@H](c1ccccc1)N1CCc2cncnc2C1 69773642 NZXZLDNOGFTZMQ-KRWDZBQOSA-N 310.401 2.101 0 40 DEAB CN1CCCC[C@@H]1CN1CCN(CCOc2ccccc2)CC1 71892876 RMJWVNLVFMKPJG-GOSISDBHSA-N 317.477 2.167 0 40 DEAB CCCOc1ccc(CN2C(=O)N[C@@](C)(CCC)C2=O)cn1 97045847 ORJGCMMECRFJHO-INIZCTEOSA-N 305.378 2.481 0 40 DEAB Cc1nn(C)c(C)c1CNC(=O)c1csc(NCC(C)C)n1 72403458 TUALVLHNRKIPRV-UHFFFAOYSA-N 321.450 2.491 0 40 DEAB CC(=O)NC(C)(C)C(=O)NCc1ccc(C)cc1OCC1CC1 87431129 WREAUZQFSFCABF-UHFFFAOYSA-N 318.417 2.315 0 40 DEAB Nc1ccc(S(=O)(=O)NC[C@@H]2CCOc3ccccc32)cc1 97114520 VINCDKAPLMVFAE-LBPRGKRZSA-N 318.398 2.113 0 40 DEAB Cc1nn(CCO)c(C)c1CN[C@@H](C)c1ccc2c(c1)OCO2 97159940 YJZBKIYEFNQXLI-NSHDSACASA-N 317.389 2.072 0 40 DEAB CCS[C@H](C(=O)NCc1nc(C(=O)O)cs1)C(C)C 95425459 RJBFELXILGNFIY-JTQLQIEISA-N 302.421 2.235 0 40 DEAB COCc1ccccc1CNC(=O)C[S@](=O)c1cccs1 95428107 OSXLELNYDNZPIW-OAQYLSRUSA-N 323.439 2.319 0 40 DEAB COC(=O)CCN(C(=O)C1CCOCC1)c1ccccc1C 95940963 UQHLKASNGUSJNH-UHFFFAOYSA-N 305.374 2.318 0 40 DEAB Cc1nn(C)c(C)c1CCNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95994863 KUUZRWPUXWXLCS-AWEZNQCLSA-N 322.453 2.225 0 40 DEAB CC(C)Sc1ccccc1C(=O)NCc1nccc(N)n1 95993375 KEKFYAIUYAFTEF-UHFFFAOYSA-N 302.403 2.489 0 40 DEAB O=C(NC[C@H]1CCCOC1)c1ccc(-c2ccccc2)[nH]c1=O 75120750 YAGOOSFKMJTVPT-CYBMUJFWSA-N 312.369 2.198 0 40 DEAB CC1(C)CN(C(=O)C[C@@H]2OCCc3ccccc32)CC[S@]1=O 89919609 UDIFAUHOORHEFB-NYHFZMIOSA-N 321.442 2.060 0 40 DEAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCC2(CC1)CNC2 1548565475 YAJYDWPANSFJBO-UHFFFAOYSA-N 324.428 2.017 0 40 DEAB Cc1ccc2cccc(C(=O)N3CC[C@@H]([C@@H](F)C(=O)O)C3)c2n1 1548600681 QWQMKVWENIMJSN-TZMCWYRMSA-N 316.332 2.428 0 40 DEAB C[C@]1(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1(Cl)Cl 33062527 OQUAKYVQSJATAA-LLVKDONJSA-N 305.136 2.447 0 40 DEAB COc1c(Cl)cc(NC(=O)NCC(=O)N(C)C)cc1Cl 78394933 KDAMNRGKLLTVMT-UHFFFAOYSA-N 320.176 2.212 0 40 DEAB COc1ccc(-c2ocnc2C(=O)NC[C@H](O)C2CCC2)cc1 562638860 SIZYPOAYXQMDON-AWEZNQCLSA-N 316.357 2.241 0 40 DEAB COc1cc(C)c(S(=O)(=O)NCc2ccncc2)c(C)c1 74825349 VLYPSYAFVNZAQV-UHFFFAOYSA-N 306.387 2.186 0 40 DEAB CCOC(=O)[C@H]1CC(=O)N(c2cccc(NC(=O)C(C)C)c2)C1 45953918 UEFOBKNMBJDJGP-LBPRGKRZSA-N 318.373 2.197 0 40 DEAB CCNC(=S)Nc1nc(N2CCCC2)cc(C(F)(F)F)n1 225883710 NJMGROQEZHAXQD-UHFFFAOYSA-N 319.356 2.402 0 40 DEAB Cc1noc(C)c1CN1CCN(C(=O)NC2CCCC2)CC1 42115592 AYKWNMVIIMQNOV-UHFFFAOYSA-N 306.410 2.061 0 40 DEAB Cc1nn(C)c2cn([C@@H](C)C(=O)Nc3cnn(C(C)C)c3)nc12 40715047 KBYZMKUVOCADQP-NSHDSACASA-N 315.381 2.055 0 40 DEAB CCOCCCNC(=O)c1snnc1-c1ccc(OC)cc1 225763340 ZRNODWGSKYOHLY-UHFFFAOYSA-N 321.402 2.370 0 40 DEAB Cc1ccc(OC[C@H](O)Cn2cc(Br)cn2)cc1 95438767 DCLMXHKBWDYTCL-GFCCVEGCSA-N 311.179 2.394 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@@H](Oc4ccccn4)CO3)C2)nc1 96107826 BOMNMWWQIUJSQY-AEFFLSMTSA-N 311.385 2.289 0 40 DEAB CS[C@@H]1CCC[C@@H](NC(=O)c2c(C)nn3cccnc23)C1 96409457 XOAIKZLMBQLXDG-VXGBXAGGSA-N 304.419 2.442 0 40 DEAB CCC(CC)C(=O)N1C[C@@H]2CCN(c3ncccn3)C[C@@H]2C1 96246218 YHPXPIKNRPKRBX-LSDHHAIUSA-N 302.422 2.198 0 40 DEAB CC(=O)NC1CCC(NC[C@H](O)c2c(F)cccc2F)CC1 97102549 ZERHHPRJPMXCEG-QOZQQMKHSA-N 312.360 2.035 0 40 DEAB c1cc(CN2CCc3ncnc(N4CCCC4)c3CC2)ccn1 96058722 CKASKVJHJHPDGF-UHFFFAOYSA-N 309.417 2.073 0 40 DEAB Cn1nnnc1N1CCC[C@@H](COc2ccccc2Cl)C1 533124166 XABTXEDNLLTTAH-LLVKDONJSA-N 307.785 2.159 0 40 DEAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccncc2)n1 96054043 GYSZRRZUGDJXEH-ROUUACIJSA-N 322.412 2.160 0 40 DEAB C[C@@]12CCN(C(=O)COc3ccc(F)cc3)[C@@H]1CC[C@@H](O)C2 257307960 TUWMRLSBJIWNBX-UNEWFSDZSA-N 307.365 2.357 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1 257240669 HUPCXJBELQKOJA-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB CNc1cncc([C@@H]2CCCN2C(=O)COc2ccccc2)n1 257229713 FZFHATIVAXMGGH-HNNXBMFYSA-N 312.373 2.261 0 40 DEAB Cc1csc(C(=O)N2CCO[C@@H](c3nc(C)cn3C)C2)c1 257302773 SEIFSBWDMMTKBD-GFCCVEGCSA-N 305.403 2.312 0 40 DEAB O=C(Cn1ccc2ccccc21)Nc1cnn([C@H]2CCOC2)c1 96122979 ZEEJNXGYKFGFFV-HNNXBMFYSA-N 310.357 2.438 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(Cc2ncc[nH]2)C1 585273075 ABXILBBFACJYPN-INIZCTEOSA-N 305.353 2.219 0 40 DEAB CNC(=O)c1sc2nccnc2c1[C@@H]1CCN(CC2CC2)C1 585182357 DWDFGXWYMKEWCT-LLVKDONJSA-N 316.430 2.250 0 40 DEAB O=C(NCc1ccncc1)c1cccc(Br)c1O 65553781 YDMYKGGQNZVCFK-UHFFFAOYSA-N 307.147 2.480 0 40 DEAB CC[C@H](NS(=O)(=O)N(C)C)C12CC3CC(CC(C3)C1)C2 28323726 ZHMVKOLGRSLBON-IHXHZNKUSA-N 300.468 2.377 0 40 DEAB Cc1nnc2ccc(NCc3cc(F)cc4c3OCOC4)nn12 68698421 RLPSBSACJHPLCI-UHFFFAOYSA-N 315.308 2.050 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@H]1CCOC1 47778207 WUYIBTRQFNOTJA-CABCVRRESA-N 321.421 2.142 0 40 DEAB CON(C)C(=O)c1cccc(-n2cc(Br)cn2)c1 49400799 NONMBHZEKRNFCZ-UHFFFAOYSA-N 310.151 2.268 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O 78985191 XKKUZEXCLRMEKZ-GFCCVEGCSA-N 321.421 2.017 0 40 DEAB COC(=O)[C@H](C)[C@@H](NC(=O)c1cn(C)nc1C)c1ccccc1 79620769 ZXFWCAVGQROWTG-IAQYHMDHSA-N 315.373 2.009 0 40 DEAB O=C(/C=C/c1cccc(Cl)c1)N1CCOC[C@@H]1c1ncon1 95981418 FNTVAULSBJJVNK-MUBLQREKSA-N 319.748 2.336 0 40 DEAB CCc1cc(N2CCN(c3nc(C)cc(C)n3)CC2)nc(C)n1 272811360 HBFKPMIJNUYZJV-UHFFFAOYSA-N 312.421 2.081 0 40 DEAB CCC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1C 13583282 NYIYLXUBKYTCLE-LBPRGKRZSA-N 312.435 2.164 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 16313895 UJIPLBPLEBTREI-MFKMUULPSA-N 321.373 2.108 0 40 DEAB O=C1O[C@H](C(=O)Nc2ccccc2C(=O)O)Cc2ccccc21 2708362 BZGXWFYACBINND-AWEZNQCLSA-N 311.293 2.105 0 40 DEAB Cc1nnc2ccc(N3C[C@H]4CN(c5ccccc5)C[C@@H]4C3)nn12 1888881869 YQEFGXDSXFJWRN-HUUCEWRRSA-N 320.400 2.005 0 40 DEAB CSc1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1 23635732 SBJHVANJCZUGQG-AWEZNQCLSA-N 308.428 2.336 0 40 DEAB C[C@H](NC(=O)CSc1nnc(N)s1)c1ccc(F)cc1 3545418 AVRJYMOJFKCOBM-ZETCQYMHSA-N 312.395 2.229 0 40 DEAB CCOC(=O)N1CC[C@H](Oc2ccc(Br)cn2)C1 238877107 OIEZCCOOWDTVQI-JTQLQIEISA-N 315.167 2.454 0 40 DEAB CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC 4853520 LVYVZKIHYYVWOT-UHFFFAOYSA-N 322.748 2.461 0 40 DEAB CN(C)C(=O)[C@@]1(n2ccnc2)CCCN(Cc2cccs2)C1 2055771512 DJINRVYRYZMUID-MRXNPFEDSA-N 318.446 2.024 0 40 DEAB Cc1cccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)c1 2086866270 ZMIWANNZCQEMLG-UHFFFAOYSA-N 320.400 2.297 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)C(C)C 10429181 NDJZYCQIIRPNKP-INIZCTEOSA-N 303.406 2.386 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)CCOc2ccccc2)C1 73020872 KEDILHHUYFYFPD-GDBMZVCRSA-N 318.417 2.219 0 40 DEAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30260005 OVGXNQIFVREFHC-SMDDNHRTSA-N 305.353 2.158 0 40 DEAB O=S(=O)(c1cccs1)N1CCN(c2ccccc2)CC1 171153 WSNQSFFPDHHTCT-UHFFFAOYSA-N 308.428 2.259 0 40 DEAB COc1cc(C(C)=O)ccc1OCC(=O)N(C)c1nccs1 40512977 WLQALHNKBIIVCA-UHFFFAOYSA-N 320.370 2.396 0 40 DEAB C[C@@H](Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCNC1=O 32771734 LTNQTNNKLDFWGI-GFCCVEGCSA-N 317.389 2.360 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 102392849 USOISFVCHMNHFM-ZIAGYGMSSA-N 312.369 2.193 0 40 DEAB Cc1n(C[C@@H](O)COc2ccc(F)cc2)c2ccccc2[n+]1C 316280 DZFPQKNJTWSXRM-OAHLLOKOSA-N 315.368 2.353 0 40 DEAB FC(F)(F)c1ccc(CCNc2ccc3nnnn3n2)cc1 8852361 ALCISUWHDODTPI-UHFFFAOYSA-N 308.267 2.193 0 40 DEAB COc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1OC 41452796 YRGBYGGRRLFNLD-UHFFFAOYSA-N 302.330 2.499 0 40 DEAB O=C(CC1CCOCC1)N1CCC[C@H]1c1noc(C2CC2)n1 76044654 GEUDYAWPRBWIGH-ZDUSSCGKSA-N 305.378 2.427 0 40 DEAB C[C@@H](NC(=O)c1csnn1)c1noc(Cc2ccccc2)n1 79621447 IHHGSZAANUHDNN-SECBINFHSA-N 315.358 2.003 0 40 DEAB COC(C)(C)[C@@]12C[C@@](O)(C(C)C)ON1[C@H]1CCCC[C@H]1N2O 4328679 GGJKFZVMDVVRRE-BFJAYTPKSA-N 314.426 2.106 0 40 DEAB COCCNc1nc(NC2CCCCC2)c2cnn(C)c2n1 4374915 NUOOPFCERRTEEK-UHFFFAOYSA-N 304.398 2.166 0 40 DEAB O=C(NCC(F)(F)F)N(CCO)[C@@H]1CCc2ccccc21 72285547 BHZQKGRTKSPLSK-GFCCVEGCSA-N 302.296 2.240 0 40 DEAB C[C@H](NC(=O)NCC(F)(F)F)c1ccc2c(c1)CCC(=O)N2 46914716 ADDNDEHLZMEFDI-QMMMGPOBSA-N 315.295 2.494 0 40 DEAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(CN2CCOCC2)c1 101610793 XBILIEDRTGYIEA-QGPMSJSTSA-N 314.429 2.437 0 40 DEAB Cc1ccc(F)cc1NC(=O)Cn1ncc2ccccc2c1=O 23053767 NPNQALZTDRDNAM-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB O=C(Nc1ncccc1O)c1nc(N2CCCC2)ncc1Cl 42766082 JTBPNZDVRCUWKZ-UHFFFAOYSA-N 319.752 2.083 0 40 DEAB 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0 40 DEAB Cc1nccn1-c1ncccc1NC(=O)[C@@H](C)OCC1CC1 58379251 VKEGYOIMVSXXOJ-LLVKDONJSA-N 300.362 2.329 0 40 DEAB CC(C)N(C)S(=O)(=O)NCc1cc(-c2ccccc2)no1 58369342 XFXBRXYCDDPTGP-UHFFFAOYSA-N 309.391 2.016 0 40 DEAB O=C(CSc1nc(O)c2cc(F)ccc2n1)N1CCCC1 58356223 KSTMCSYBFZODPN-UHFFFAOYSA-N 307.350 2.189 0 40 DEAB CC[C@@H](CO)NC[C@H](O)Cn1c(C)c(C)c2cc(C)ccc21 28297064 MWEPLEOQGYZBIV-HOTGVXAUSA-N 304.434 2.288 0 40 DEAB Cc1ccc([C@@H]2CCCN2C(=O)CN2CSCC2=O)cc1 58643246 BPYPNCSKNWVAKI-AWEZNQCLSA-N 304.415 2.191 0 40 DEAB O=C(Oc1ccccc1)c1c(Cl)cccc1P(=O)(O)O 2311110 JOGSEHLNNOFGKW-UHFFFAOYSA-N 312.645 2.362 0 40 DEAB Nc1nc2nc3c(c([C@@H]4CC=CCC4)c2c(=O)[nH]1)C(=O)CCC3 20673681 NLTIEFRAMASIHB-SECBINFHSA-N 310.357 2.243 0 40 DEAB COc1cc(OC)cc(C(=O)NCc2ccnc(OC)c2)c1 48334025 MLPGMQKHLMNPGB-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB Cc1csc([C@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n1 72298780 OEOINRYTRCSONT-ZDUSSCGKSA-N 317.414 2.019 0 40 DEAB O=C(NCCCC1CCCC1)N1CCN(c2ncccn2)CC1 12933729 LUMOVXKVUOVYFS-UHFFFAOYSA-N 317.437 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316.409 2.353 0 40 DEAB O=C(NCCOC[C@@H]1CCCO1)NC[C@@H]1C[C@@H]1c1ccccc1 96406870 QGPHSPPFCIIZSC-YESZJQIVSA-N 318.417 2.285 0 40 DEAB OC[C@@H]1CN(CCCc2ccccc2Br)CCO1 96501995 UOOZMCYBMFSMAD-ZDUSSCGKSA-N 314.223 2.075 0 40 DEAB C[C@H](CNC(=O)Cn1ccccc1=O)Oc1ccc(Cl)cc1 96431989 WAGAQMASSMHJLL-GFCCVEGCSA-N 320.776 2.085 0 40 DEAB O=C1CCCN1[C@H]1CCO[C@]2(CCN(Cc3cccs3)C2)C1 96209544 FNXRXHLIJIPFPX-WMLDXEAASA-N 320.458 2.494 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)Nc1ccc(N(C)C)nc1 96434029 CDYCIDHXKOIVKD-UHFFFAOYSA-N 316.409 2.322 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2N=CO[C@H]2c2ccccn2)cc1 95698937 YBLIGQCCDDTNMG-LSDHHAIUSA-N 302.355 2.290 0 40 DEAB COCc1ccc(C(=O)N2CCCC[C@H]3CNCC[C@H]32)cc1 257264883 LWIXZTUCXFFVMS-DLBZAZTESA-N 302.418 2.437 0 40 DEAB CCOC(C)(C)CNC(=O)NC[C@H](O)c1cc(C)cc(C)c1 252503214 UZOOHDQDBAEAPF-HNNXBMFYSA-N 308.422 2.451 0 40 DEAB CCOC(=O)c1ccc(N)c(I)c1F 575724497 LEQKFHRVGUDGFQ-UHFFFAOYSA-N 309.078 2.189 0 40 DEAB O[C@@H]1[C@@H](CNCc2cc[nH]n2)CCC[C@H]1Oc1ccccc1 585286592 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317.352 2.334 0 40 DEAB Cc1cccc(CO[C@@H]2CN(C(=O)C3CC3)[C@@H]3CCCO[C@H]23)n1 2055714576 IVSDBNOXUNACLM-ZACQAIPSSA-N 316.401 2.075 0 40 DEAB CC(C)N1C[C@@H](C(=O)Nc2cnc(-c3ccccc3)nc2)CC1=O 40073931 LZOKLIAKJPSYIT-AWEZNQCLSA-N 324.384 2.339 0 40 DEAB NC(=O)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 30554493 TYOITAWHIKUOHZ-UHFFFAOYSA-N 306.793 2.096 0 40 DEAB CCOc1ncccc1CNC(=O)c1cc(=O)[nH]c2ccccc12 31323717 DBJZXAFHTDPSSA-UHFFFAOYSA-N 323.352 2.252 0 40 DEAB O=C(NC1CCN(C(=O)c2ccco2)CC1)[C@H]1CC=CCC1 40487861 LTDATWJDWBQSHX-ZDUSSCGKSA-N 302.374 2.357 0 40 DEAB COc1ccccc1OCC(=O)NCCc1nc(C)cs1 31849134 DCYYDCFSFPKJTC-UHFFFAOYSA-N 306.387 2.198 0 40 DEAB O=C(/C=C/c1ccncc1)NCCN1CCc2ccccc2C1 32355274 WNIFCXGWTSFDRI-AATRIKPKSA-N 307.397 2.269 0 40 DEAB CN(C)C(=O)CCNC(=O)c1ccccc1Oc1cccnc1 52027399 VEEBTMNAAMXPHP-UHFFFAOYSA-N 313.357 2.082 0 40 DEAB CN(C(=O)[C@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccccc1 32642812 LMPSZDUMQULKFE-QWRGUYRKSA-N 300.280 2.107 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N(Cc2ccccc2F)C2CC2)C1 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CCCCn1c(SCC(=O)N(C)C)nnc1-c1ccncc1 4161371 SOMLCPPQYHNHEO-UHFFFAOYSA-N 319.434 2.321 0 40 DEAB Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccccc2)cc1 6449048 WJJBWPJZHOCAHO-UHFFFAOYSA-N 317.410 2.475 0 40 DEAB O=C(c1ccc[nH]c1=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71820013 UPWODQABINXFAA-CQSZACIVSA-N 318.760 2.242 0 40 DEAB Cn1nc(C(=O)N2CCC[C@@H]2CC2CCCCC2)ccc1=O 61570660 SBFJQNRNTMLYBO-CQSZACIVSA-N 303.406 2.355 0 40 DEAB CCN(CC)CCNC(=O)c1cc(Cl)c2c(c1)OCCO2 47339616 ILZZDFZGEPHORH-UHFFFAOYSA-N 312.797 2.183 0 40 DEAB CCn1nc(C)c(CNS(=O)(=O)c2ccc(OC)cc2)c1C 9528584 FAKAJNXINSNPMR-UHFFFAOYSA-N 323.418 2.007 0 40 DEAB Cc1cc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)on1 55315481 LDOVIFCLQVEBPF-UHFFFAOYSA-N 314.341 2.424 0 40 DEAB CCOC(=O)c1cc(C)n(CC(=O)NCc2ccco2)c1C 12567798 MSVOBFJHCMJZNN-UHFFFAOYSA-N 304.346 2.191 0 40 DEAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC(c2cn[nH]c2)CC1 97203306 IVGKPXYHLGSJNA-KRWDZBQOSA-N 312.417 2.419 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c1C 35334254 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CC(C)=CC(=O)OCc1nc(N)nc(Nc2ccc(F)cc2)n1 16583659 DHGNPWFYPXQNIO-UHFFFAOYSA-N 317.324 2.346 0 40 DEAB O=C(Cc1ccsc1)NCCc1ccc2c(c1)OCCO2 8071389 DURTVFFETQEEPD-UHFFFAOYSA-N 303.383 2.421 0 40 DEAB CC(=O)N[C@]1(CC(=O)c2ccccc2)C(=O)N(C)c2ccccc21 9340442 LEVYZRVBIZTZQD-IBGZPJMESA-N 322.364 2.267 0 40 DEAB O[C@H](CN1CCC(Cn2cccn2)CC1)c1ccccc1F 69393666 LFUTYQGMWQZUCE-QGZVFWFLSA-N 303.381 2.468 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)[C@@H](C)NC(=O)/C=C/c1ccccc1 69593852 GPFHZINADKUXFN-NEKXEHSPSA-N 300.402 2.461 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)NCCc2cccs2)c1 69709401 WWGZJFCYYBRJOM-UONOGXRCSA-N 320.462 2.151 0 40 DEAB COc1ccc2nc(Nc3nc(C)c(C)c(=O)[nH]3)nc(C)c2c1 18142425 PSWDQTMAUUQILQ-UHFFFAOYSA-N 311.345 2.391 0 40 DEAB CCOC(=O)CCCCCN1Cc2ccccc2C[C@H]1C(N)=O 69968724 VAOYGJQQPURPKZ-INIZCTEOSA-N 318.417 2.022 0 40 DEAB C[C@@H](CNc1nccc(C(F)(F)F)n1)N1CCOC[C@H]1C 71900414 VNIRPRSIKQGGNG-VHSXEESVSA-N 304.316 2.017 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C)c1ccnc(-c2ccccc2)n1 71904237 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2.453 0 40 DEAB CC[C@@H](NCCN1C(=O)CNC1=O)c1cccc(Cl)c1F 134084433 QCQUBSFUZVNNMD-LLVKDONJSA-N 313.760 2.072 0 40 DEAB CC1=CCC[C@@H](C)[C@H]1CNCC1CCN(S(C)(=O)=O)CC1 134129080 IKRIVKFFAYWDNH-ZBFHGGJFSA-N 314.495 2.240 0 40 DEAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nc(O)n[nH]1)c1ccccc1 329163225 GJKORNYNOHZGHL-DGCLKSJQSA-N 300.362 2.368 0 40 DEAB O=C(CCn1ncc2ccccc21)NCc1ccc2c(c1)OCO2 40757877 IKBZNGWWIPJGSC-UHFFFAOYSA-N 323.352 2.472 0 40 DEAB O=C(Nc1ccc2ncccc2c1)C(=O)NC(C1CC1)C1CC1 62007660 AYONRQVUDPSQCF-UHFFFAOYSA-N 309.369 2.478 0 40 DEAB OCCOc1ccc(CNc2ncccn2)c(Br)c1 195573302 QCHDBJHEPMPSRJ-UHFFFAOYSA-N 324.178 2.222 0 40 DEAB CC(C)NC(=O)C(=O)Nc1ccc(Br)cc1F 42645867 POKSVFXUMNCDBV-UHFFFAOYSA-N 303.131 2.051 0 40 DEAB CC1(C)CCC(S(=O)(=O)N2CC[C@@H](N3CC=CC3)C2)CC1 195579941 WSXHPIUAFHSQNR-CQSZACIVSA-N 312.479 2.231 0 40 DEAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3cccs3)C[C@H]21 514289608 MBTFZDSGRBHQPS-ZBFHGGJFSA-N 314.410 2.466 0 40 DEAB biogenic,in-vitro COc1cccc2ccn(CCC(=O)N[C@@H](CO)C(C)C)c12 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CCCCCOc1ccc(NC(=O)C(=O)N[C@@H](CC)CO)cc1 6597428 BFPQPVRHQVXULL-ZDUSSCGKSA-N 322.405 2.081 0 40 DEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1c(C)cc(C)cc1C 6953157 MXKPRAZZOWXVSW-HNNXBMFYSA-N 317.433 2.151 0 40 DEAB CC(C)c1noc(CN2CCNC(=O)C[C@H]2c2ccccc2)n1 54395765 RFRJEFIJYNAXMK-AWEZNQCLSA-N 314.389 2.256 0 40 DEAB COc1ccc(C(=O)CCC(=O)NCCc2ccccn2)cc1 61342065 UWBZSJFCUPZVSC-UHFFFAOYSA-N 312.369 2.412 0 40 DEAB O=C1C[C@@H](SCCO)C(=O)N1c1cccc2ccccc12 8570068 NIXCGWQGMCZRJH-CQSZACIVSA-N 301.367 2.197 0 40 DEAB COCCN1CCO[C@H]2CCN(Cc3ccccc3Cl)C[C@@H]21 108532396 KYCOVKLKLIMRPX-IRXDYDNUSA-N 324.852 2.262 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCCn1ccnc1 43310974 URDUXWAESCOTSG-LLVKDONJSA-N 306.341 2.091 0 40 DEAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cn2cncn2)cc1 106580795 JKOJDNRSDWKQES-BHYGNILZSA-N 310.401 2.492 0 40 DEAB COc1c([C@H]2CCCN2Cc2nnc(C3CC3)o2)c(C)nn1C 72253794 PTMPHBCYPGVAHV-GFCCVEGCSA-N 317.393 2.335 0 40 DEAB CN(C[C@H]1CCOC1)C[C@H](c1cccs1)N1CCOCC1 107048682 KOENWAFJYQYRER-HUUCEWRRSA-N 310.463 2.090 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1nnc(CC(C)C)s1 25445637 SFFLQKWNIPNLGA-UHFFFAOYSA-N 307.423 2.268 0 40 DEAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(C)n1 43934010 IOVNMEQXUWLTBD-LLVKDONJSA-N 310.398 2.298 0 40 DEAB COc1ccc([C@H](NS(C)(=O)=O)c2ccc(F)cc2)cc1 57101639 ZJBIQVYDWXIVBF-OAHLLOKOSA-N 309.362 2.473 0 40 DEAB CCc1ccc([C@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 20081546 KRBJNKWHYJLNPB-INDMIFKZSA-N 316.397 2.467 0 40 DEAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NC[C@H](O)c1ccccc1 58290518 NRYOBZRZTURSLX-ZDUSSCGKSA-N 322.405 2.140 0 40 DEAB CCN(CCNC(=O)/C=C/c1cnn(C)c1)c1cccc(C)c1 58391352 OEIIGWFASPPHIT-CMDGGOBGSA-N 312.417 2.384 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnnn1C 12603830 AHVAMHQJUQSCIK-UTUOFQBUSA-N 312.439 2.306 0 40 DEAB COc1ccc2c(c1)s/c(=N\C(=O)c1cc(C)n(C)n1)n2C 101025361 UTOBYAFWHHCULA-NXVVXOECSA-N 316.386 2.031 0 40 DEAB O=C(Nc1ccncc1F)N[C@@H]1CCN(c2ccccn2)C1 97135829 ZBXQMBWTYJGXMP-LLVKDONJSA-N 301.325 2.016 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1ccncc1 48279136 ODWIWMQRCUFYGF-LBPRGKRZSA-N 307.353 2.386 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CN(C)C(=O)[C@@H]2CCCN(C(N)=O)C2)o1 48260928 YFQFUWARWNEMLF-YRGRVCCFSA-N 319.405 2.152 0 40 DEAB Cc1ccc2ncnc(NCCC(=O)NCc3ccccn3)c2c1 97108423 DVTGAYDHWXKWKO-UHFFFAOYSA-N 321.384 2.452 0 40 DEAB O=c1cc(COc2ccc(-c3nnco3)cc2)nc2ccccn12 11384918 QQFZHMGAQHNADM-UHFFFAOYSA-N 320.308 2.324 0 40 DEAB Cc1cc(NC(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)no1 29538164 CCEUNYHHQAQISO-AWEZNQCLSA-N 319.336 2.134 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)Cc2ccccc2F)c1 8852058 PAUKATQQDSDUFG-UHFFFAOYSA-N 311.320 2.197 0 40 DEAB CC(=O)N1CSC[C@@H]1C(=O)Nc1nc2ccc(C)cc2s1 48354207 BXZNXWCJKGHCLK-LLVKDONJSA-N 321.427 2.465 0 40 DEAB C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)N(C)c1ccccc1 3418936 FCRVRGWEHZPYLQ-ZDUSSCGKSA-N 313.353 2.387 0 40 DEAB O=C1NCCN(C(=O)c2ccncc2)[C@@H]1c1ccccc1Cl 62689507 CHZUDAHTAPDLPR-CQSZACIVSA-N 315.760 2.048 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1S(C)(=O)=O 8939347 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CC[C@H](NC(=O)CS(=O)(=O)C(C)C)c1cc(F)ccc1F 96419011 GNSRLTYWDWATEY-ZDUSSCGKSA-N 319.373 2.355 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H]2CCCSC2)n1 96452328 YIKGVBQVZUVLAQ-RISCZKNCSA-N 310.467 2.331 0 40 DEAB CC(C)CCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 8755373 XWPULYNYOPXMPS-HNNXBMFYSA-N 317.364 2.322 0 40 DEAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)N2CCCC2)c1 71867377 KYNJJGXKTCQSLS-MRXNPFEDSA-N 318.417 2.463 0 40 DEAB COC(=O)C1(NCCOc2ccccc2C(F)(F)F)CC1 95452680 BFXIKSJXPWZPRJ-UHFFFAOYSA-N 303.280 2.379 0 40 DEAB CCOC(=O)c1cnc(C)c(C(=O)NC[C@H](OC)C(C)(C)C)c1 95453454 NHCNXGFDKHSHEZ-AWEZNQCLSA-N 322.405 2.358 0 40 DEAB CC(C)(C)OC(=O)N1CCN(CCOc2cccc(N)c2)CC1 29753831 MLXGEAQWQODNJK-UHFFFAOYSA-N 321.421 2.200 0 40 DEAB CCOC(=O)N1CCC(N[C@H](CO)c2ccccc2F)CC1 95989984 PCZRJKWUSPTCBQ-OAHLLOKOSA-N 310.369 2.070 0 40 DEAB Clc1ccc(-n2cc(CN3CCC4(C3)OCCO4)cn2)cc1 95982887 VABXOLNFEPPGJR-UHFFFAOYSA-N 319.792 2.475 0 40 DEAB CC(C)CN(CC(=O)O)C(=O)c1ccn(-c2ccccc2)n1 95946632 ALPYKOJAJGQPKR-UHFFFAOYSA-N 301.346 2.055 0 40 DEAB Cc1nn(C)cc1C(=O)NCCc1nc2ccccc2s1 74718356 XSAUTGOQGWYUKA-UHFFFAOYSA-N 300.387 2.311 0 40 DEAB CN(Cc1cnccn1)Cc1cn(-c2ccc(Cl)cc2)nn1 89364864 KTFVJECPTIGELH-UHFFFAOYSA-N 314.780 2.343 0 40 DEAB Cc1cc(C)c(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)c(=O)[nH]1 89568521 HAKNCTFXXATLKK-HIFRSBDPSA-N 314.385 2.234 0 40 DEAB O=C(Cc1n[nH]c2ccccc12)N1CCCC[C@@H]1Cn1cccn1 75129554 FIUFQYAHEFMCEH-CQSZACIVSA-N 323.400 2.383 0 40 DEAB Cc1nnc(Cn2cnc3sc4c(c3c2=O)CCCCC4)o1 89736367 VPQAWNHINBFCTH-UHFFFAOYSA-N 316.386 2.467 0 40 DEAB O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N(CCO)CC1CC1 89858008 TVNZDSUHSKVVOW-QFBILLFUSA-N 314.429 2.304 0 40 DEAB O=C(NC1(c2ccc(F)cc2F)CCOCC1)c1cc[nH]n1 89856171 YVMMYJIHLVRQBE-UHFFFAOYSA-N 307.300 2.124 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(Cn3cc(Cl)cn3)o2)C[C@@H](C)O1 27982256 CLTCSHGKCIDYJU-GHMZBOCLSA-N 323.780 2.427 0 40 DEAB CN(C)CCCn1c(=N)n(CC(=O)C(C)(C)C)c2ccccc21 23634840 FDJKQCDSNQXWKS-UHFFFAOYSA-N 316.449 2.489 0 40 DEAB COc1ccc([C@@H]2CC(=O)c3c(N)nc(C)nc3C2)cc1OC 408712756 NUEMXNJPBZQRBZ-NSHDSACASA-N 313.357 2.297 0 40 DEAB COc1ccc(C(=O)NCc2n[nH]c(=S)n2C(C)C)cc1 66639849 VBEXNZOGAZWSPA-UHFFFAOYSA-N 306.391 2.460 0 40 DEAB CC(C)[C@H](N)C(=O)N1CCC[C@H](N(C)Cc2ccccc2)C1 79415733 NOLKJRMZGDVJCJ-IRXDYDNUSA-N 303.450 2.093 0 40 DEAB O=C(NC1CCCCC1)NC1CCN(C[C@@H]2CCCO2)CC1 76491439 FMWJJBAIEMQUTJ-INIZCTEOSA-N 309.454 2.262 0 40 DEAB CC[C@@H](OC1CCCC1)C(=O)NCCCn1ccccc1=O 79044545 YJKJDSIKCZVALB-OAHLLOKOSA-N 306.406 2.092 0 40 DEAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 78551650 IUNORPDTKYGHEG-UHFFFAOYSA-N 311.407 2.001 0 40 DEAB FC(F)(F)c1cccnc1N1CCN(c2cnccn2)CC1 47510425 VINRQEXNBZDKPC-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB CC1=CCC[C@H](C)[C@@H]1CNCC1CCN(S(C)(=O)=O)CC1 134129661 IKRIVKFFAYWDNH-GOEBONIOSA-N 314.495 2.240 0 40 DEAB CC(=O)Nc1cnn(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)c1 572975164 NEEDYRRWNMOJPG-LLVKDONJSA-N 318.352 2.200 0 40 DEAB O=C(/C=C\c1cccs1)NCc1n[nH]c(=O)c2ccccc12 44059494 AXDGLFITSBYWQS-FPLPWBNLSA-N 311.366 2.314 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)ccc1C 225352556 YRJAEXAADSZIKC-ZOWXZIJZSA-N 323.414 2.249 0 40 DEAB CCOC(=O)[C@H]1CS[C@H](c2coc3ccccc3c2=O)N1 98072845 MSSKFTSCMJPUST-BXUZGUMPSA-N 305.355 2.060 0 40 DEAB COc1ccccc1-c1cc(C(=O)NCCc2ccncc2)n[nH]1 95476299 KQUBPQIGWSOJDK-UHFFFAOYSA-N 322.368 2.453 0 40 DEAB Fc1cnc(N2CCC[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96158348 VRRDSLZSFGFBOL-KRWDZBQOSA-N 320.412 2.087 0 40 DEAB CC(=O)N1CC[C@@H](CN(C)c2nc(-c3ccc(C)cc3)no2)C1 97233404 XPLDFCIULBMWHO-AWEZNQCLSA-N 314.389 2.350 0 40 DEAB O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3ccccn3)CC2)N1 96199915 BPMBTOVVLPKGIZ-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)C3CC(F)(F)C3)CC2)CO1 96105825 ALKWQWRYSPUVIJ-GFCCVEGCSA-N 303.349 2.076 0 40 DEAB C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1c2ccccc2C[C@@H]1C 230307868 MZVLWVLRERTLAV-YOKBYHGQSA-N 318.417 2.101 0 40 DEAB CCS(=O)(=O)[C@](Cl)(Br)[C@H](O)C(C)(C)C 96519919 GJYMKULQQOYSHS-SVRRBLITSA-N 307.637 2.116 0 40 DEAB c1coc(-c2noc(CN3CCO[C@@H](c4nccs4)C3)n2)c1 97199874 RSBLCORZOBITDL-LLVKDONJSA-N 318.358 2.360 0 40 DEAB CO[C@H]1CCN(C2CCC2)[C@@H]2CN(Cc3ccncc3)C[C@H]12 96109489 CQSHAZBSLGEMQT-KSZLIROESA-N 301.434 2.155 0 40 DEAB O=C(NCCNc1cccc(Br)c1)[C@H]1CCCO1 95995555 SKUCAJMVMQWWEJ-GFCCVEGCSA-N 313.195 2.156 0 40 DEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1Cc1cc[nH]n1 257222780 DURKNKFUHXIMDT-HNNXBMFYSA-N 309.373 2.372 0 40 DEAB CCC(=O)N1CC[C@@H](c2nc(Cc3cccc(OC)c3)no2)C1 273874817 UFLXONPPZSXSHT-CYBMUJFWSA-N 315.373 2.395 0 40 DEAB CCO[C@@H]1COCC[C@@H]1NC(=O)NCc1cccc2occc12 685938985 RYBCYEOQYFIJLN-GOEBONIOSA-N 318.373 2.426 0 40 DEAB COC(=O)N1CCC[C@H](NC(=O)N(C)Cc2ccccc2)C1 72083147 DWNJTQJVYDOVPR-AWEZNQCLSA-N 305.378 2.059 0 40 DEAB C[C@@H]1CNCC[C@]1(O)Cc1c(F)cccc1Br 1083806367 ODFSYEGEWAJFSR-RNCFNFMXSA-N 302.187 2.491 0 40 DEAB Cc1nc(CCCNC(=O)/C=C/c2cn(C)c3ccccc23)n[nH]1 75094413 NCKGJXTXLPWCHX-MDZDMXLPSA-N 323.400 2.367 0 40 DEAB c1cncc(O[C@H]2CCN(Cc3ccc(-n4cncn4)cc3)C2)c1 93691651 VKVPIOPGTQVALJ-SFHVURJKSA-N 321.384 2.316 0 40 DEAB CCOC(=O)CCC(=O)NCC1(c2ccccc2)CCOCC1 38591753 OBRZWJNLTFRQQB-UHFFFAOYSA-N 319.401 2.194 0 40 DEAB CN(C)C[C@H]1CCN(Cc2nnc(-c3ccccc3F)o2)C1 95962569 PIZFMRBXTJOONC-GFCCVEGCSA-N 304.369 2.259 0 40 DEAB Cc1cccc(NC(=O)N2CCO[C@H](c3nccs3)C2)n1 97142753 GBYKMHRGCJFRKB-NSHDSACASA-N 304.375 2.452 0 40 DEAB COc1cc(OC)cc(N2CCCN(c3cccnn3)CC2)c1 553109771 HYGJHTXEGDDHRM-UHFFFAOYSA-N 314.389 2.211 0 40 DEAB Cc1nc(CN(C)C[C@H](O)COCc2ccccc2)oc1C 79311532 CMQYTHVLJKQNGS-INIZCTEOSA-N 304.390 2.301 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c1 16194267 JJWXQESESDNASB-NMWPEEMBSA-N 323.348 2.175 0 40 DEAB N=C1Nc2nc3ccccc3n2[C@H](c2ccc(C(=O)O)cc2)N1 18053427 FEIVUMURKLUXBC-CYBMUJFWSA-N 307.313 2.231 0 40 DEAB O=C(C1CCCCC1)N1CCc2nc([C@H]3CCCN3)ncc2C1 19292319 IPIOYJZHPVQVNK-MRXNPFEDSA-N 314.433 2.366 0 40 DEAB O=C1C[C@@H](NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1 19808072 MBCWRIQQZQGSLH-CQSZACIVSA-N 315.760 2.157 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 169690640 GKDUQVYCDVXQRK-YIKOMLBNSA-N 311.337 2.175 0 40 DEAB COC(=O)NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 5354532 ABLFUQIFMRPGOV-NTCAYCPXSA-N 324.336 2.340 0 40 DEAB CCCCN1C(=O)C[C@H](Sc2ccccc2C(=O)O)C1=O 1793013 CSUOOXBTBJFALG-LBPRGKRZSA-N 307.371 2.405 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3ccc(Cl)cc3F)nn12 3271416 USEOBQWVVFFHGD-UHFFFAOYSA-N 305.700 2.478 0 40 DEAB O=C(CNc1ccccc1Cc1ccccc1)N1CCNC1=O 11623591 GACVDJOFXLPLPW-UHFFFAOYSA-N 309.369 2.241 0 40 DEAB Brc1ccc2[nH]c(=NC[C@@H]3CCCO3)ncc2c1 1889116458 PKQUPQSGCMGFFT-NSHDSACASA-N 308.179 2.405 0 40 DEAB CCc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)O)s1 108137207 KTBDJYXXEXGURE-JQWIXIFHSA-N 303.449 2.235 0 40 DEAB CCCCN(C(=O)c1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 4504562 TWTZIAYZANSXRQ-AWEZNQCLSA-N 313.394 2.255 0 40 DEAB COC(=O)[C@@](O)(c1ccc(NCC2CC2)cc1)C(F)(F)F 12324621 IAMRBSRDOCONFK-ZDUSSCGKSA-N 303.280 2.431 0 40 DEAB Cc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c(C)o1 2636710 WPDLZDVVAQUBGR-UHFFFAOYSA-N 313.309 2.349 0 40 DEAB C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(=O)O 40312660 FRKPJPGPVCOENO-NSHDSACASA-N 321.336 2.500 0 40 DEAB biogenic COC(=O)c1cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c1 31688549 KEFYAVRPGCETSZ-MRVPVSSYSA-N 305.252 2.379 0 40 DEAB COc1nn(C)c2nc(C)c(CCC(=O)NC(C)(C)C)c(C)c12 40510444 APRSGYAJHKTUKC-UHFFFAOYSA-N 318.421 2.441 0 40 DEAB CCc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 20721233 FVJOSUUAAMIEFH-JTQLQIEISA-N 319.752 2.016 0 40 DEAB C[C@H]1C[C@H]1C(=O)N1CCN(c2ccc(Br)cn2)CC1 41347545 PQAHASSRKXLCEI-CMPLNLGQSA-N 324.222 2.149 0 40 DEAB O=C(NC[C@@H]1CCOC1)c1cc(-c2ccccc2Cl)[nH]n1 41366257 COEYTXLGKITGJC-JTQLQIEISA-N 305.765 2.496 0 40 DEAB CC(C)C1=NN(C(=O)c2ccncc2)[C@](O)(C(F)(F)F)C1 248983 YUNMVXGSULODMJ-GFCCVEGCSA-N 301.268 2.190 0 40 DEAB C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)N(C)c1ccccc1 46565045 GHVLHFOTMJRRAA-CYBMUJFWSA-N 309.369 2.215 0 40 DEAB Cc1noc(C)c1CC(=O)OCc1nc(N)c2ccccc2n1 18338176 RIKBNOOWCOTEMX-UHFFFAOYSA-N 312.329 2.103 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)no1 12028845 LAGGBVKQIBFRGF-JTQLQIEISA-N 305.359 2.288 0 40 DEAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccc[nH]c1=O 52853874 BBWYCBIEEYLOCZ-UHFFFAOYSA-N 311.385 2.247 0 40 DEAB CCOC(=O)C(=Cc1cc(OC)ccc1OC)C(=O)OCC 1628698 SDKURJSMAYMSOF-UHFFFAOYSA-N 308.330 2.213 0 40 DEAB CC(=O)[C@@H](N1CCCCC1)C(O)(C(F)(F)F)C(F)(F)F 1639259 DHLHAGWYSZZVEA-MRVPVSSYSA-N 307.234 2.286 0 40 DEAB O=C(CN1CSCC1=O)Nc1ccc2oc(C3CC3)nc2c1 33214459 QIFDERHZOKSJJP-UHFFFAOYSA-N 317.370 2.177 0 40 DEAB COC(=O)C(C)(C)CNCc1cc(Cl)c2c(c1)OCCO2 79100015 YLEDCZULVFUTMP-UHFFFAOYSA-N 313.781 2.400 0 40 DEAB COC(=O)[C@H](Nc1c(C(C)=O)nnn1-c1ccccc1)C(C)C 4943221 KTZYRUAGHKSSSB-CYBMUJFWSA-N 316.361 2.079 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 8104819 CBJMMDSCYYTLID-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cc1cccc(N(CC(=O)N2CCC(C)CC2)S(C)(=O)=O)c1 886710 MZTIQAUDCUWAFJ-UHFFFAOYSA-N 324.446 2.020 0 40 DEAB CC1CCN(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)CC1 23018984 DXSPJALTVRIWFJ-OAHLLOKOSA-N 309.435 2.195 0 40 DEAB O=C(NCC(=O)N1CCC[C@H](C(F)(F)F)C1)c1cccs1 10288675 KZPNHLWBHVCVMU-VIFPVBQESA-N 320.336 2.279 0 40 DEAB COc1cc2c(cc1OC)[C@@]13CCN[C@H](C2)[C@@H]1CCC(=O)C3 100393757 GZZOFTMOJHVMPV-JCKWVBRZSA-N 301.386 2.229 0 40 DEAB biogenic,in-vitro Cc1cc(C(=O)N2CCCN(Cc3cccs3)CC2)n[nH]1 54775647 QWQYETXSMMAWMT-UHFFFAOYSA-N 304.419 2.128 0 40 DEAB Cc1ccccc1CC(=O)Nc1ccc(N2CCN(C)CC2)cn1 47523526 IXXAEALPWNNHON-UHFFFAOYSA-N 324.428 2.323 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccccc1)C1CC1 55313893 NOSIBHBALAPMGJ-RISCZKNCSA-N 304.415 2.116 0 40 DEAB COc1ccc([C@H](O)CN2CCC[C@@H]2Cn2cccn2)cc1 71875672 VNHZAVGTWWHQEM-NVXWUHKLSA-N 301.390 2.090 0 40 DEAB COC[C@H]1CCC[C@]12CN(C(=O)NCc1ccccc1)CCO2 107194425 NHLZOVICVAHHKT-AEFFLSMTSA-N 318.417 2.414 0 40 DEAB CN(Cc1ccccc1C(F)(F)F)C(=O)c1nccnc1N 43505286 PCHVXKQMQWZJTA-UHFFFAOYSA-N 310.279 2.350 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(OC(C)C)c1 56156990 ZMALDYGMPLGECW-OLZOCXBDSA-N 321.421 2.359 0 40 DEAB COc1cc(CCC(=O)N[C@H](C)c2nc(C)no2)cc(OC)c1 71846741 CAZFJMMCNUCBJK-SNVBAGLBSA-N 319.361 2.205 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)n1 71870243 QYFKBFAMAAIRIA-ZBFHGGJFSA-N 305.422 2.306 0 40 DEAB N=c1c2cnn(-c3ccc(-c4ccccc4)cc3)c2ncn1N 103707213 DUJKQPKXACTWKD-UHFFFAOYSA-N 302.341 2.082 0 40 DEAB C[C@H]1CN(c2ccc(CNCc3cccc(O)c3)cn2)CCO1 58195541 YFNJMXUFWQSSOP-AWEZNQCLSA-N 313.401 2.302 0 40 DEAB Cc1ccc(C(=O)CNC(=S)NC(=O)c2ccccc2)cc1 44858617 SCHQORZECDVYPA-UHFFFAOYSA-N 312.394 2.482 0 40 DEAB C[C@H](SC[C@H](O)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58278275 JGEKHAATZCISKI-AAEUAGOBSA-N 324.446 2.466 0 40 DEAB O=C(NCc1ccoc1)[C@@H]1CCCCN1C(=O)c1ccco1 58247773 DLNIUFVFYFTPBY-ZDUSSCGKSA-N 302.330 2.184 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)NOCc3ccccc3)C2)n1 58220916 KALLAXXMIUMAQS-CQSZACIVSA-N 316.361 2.399 0 40 DEAB CCOC(=O)CN(C(=O)c1cc2c(C)nn(C)c2s1)C(C)C 58407375 VNDJKQBWDPNVKO-UHFFFAOYSA-N 323.418 2.357 0 40 DEAB c1csc(CN2CC[C@]3(COCCN([C@H]4CCOC4)C3)C2)c1 107220488 XGZSTFVDFDCHJZ-RDJZCZTQSA-N 322.474 2.061 0 40 DEAB CCC(CC)(CC(=O)Nc1ccccc1C(=O)NC)C(=O)O 10821315 MZWRYUQWGPFUGS-UHFFFAOYSA-N 306.362 2.266 0 40 DEAB O=C1c2cccn2[C@H]2CN(Cc3ccccn3)C[C@@H]2N1CC1CC1 306123717 AUNRHZVOJGXALJ-ROUUACIJSA-N 322.412 2.174 0 40 DEAB Nc1ccc(Cl)cc1C(=O)OCC(=O)N1CCCCCC1 3363534 WLTMEKIUMCKALH-UHFFFAOYSA-N 310.781 2.482 0 40 DEAB Cc1ccc(Nc2nc3nonc3n3c(S)nnc23)c(C)c1 59446055 NOBPWKGDHMZTSL-UHFFFAOYSA-N 313.346 2.310 0 40 DEAB COc1ccc(CN(C)CC(=O)Nc2cc(C)no2)c(OC)c1 48308635 BITQOOLOIKPSSP-UHFFFAOYSA-N 319.361 2.071 0 40 DEAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1nnc2n1CCCCC2 46353671 JKVYSBNRITXGLB-STQMWFEESA-N 306.410 2.141 0 40 DEAB Cc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)N1CCCC1 408589011 DKISGOQWTYVJFL-UHFFFAOYSA-N 324.446 2.165 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)NCc1ccccc1OC 6159720 XNHQJEUSOSNLGG-CYBMUJFWSA-N 308.378 2.082 0 40 DEAB CCn1c(SCC(=O)Nc2ccon2)nnc1-c1ccco1 8987379 PAPHZDASVNQUCQ-UHFFFAOYSA-N 319.346 2.277 0 40 DEAB C[C@H]1CCc2c(sc3ncnc(N4CCS(=O)CC4)c23)C1 65547910 OVSVFNHAIWAFJX-JTQLQIEISA-N 321.471 2.385 0 40 DEAB Cc1ccc[n+](CCCN2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 4507386 NLJCUJKJIZEBOK-GJZGRUSLSA-N 319.812 2.190 0 40 DEAB O=C(COC(=O)c1[nH]nc2ccccc12)NCc1ccccc1 4824935 YPCNNFYAXZIHLA-UHFFFAOYSA-N 309.325 2.036 0 40 DEAB CC(=O)c1ccc(N2CCN(C(=O)c3ccncc3)CC2)cc1 6981610 NDOGGOKNKPWEAV-UHFFFAOYSA-N 309.369 2.247 0 40 DEAB O=C(COC(=O)c1ccc(F)cc1)NCc1ccccc1F 7101360 WOECQTZQTZCCIN-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB CCCc1cc(=O)[nH]c(SCC(=O)N(CCC)CC2CC2)n1 15911999 CNUAEHVIKAVIGQ-UHFFFAOYSA-N 323.462 2.463 0 40 DEAB C[C@@H](NCc1nc(C2CC2)no1)c1cn(-c2ccccc2)nn1 96014148 DCVZYLFSRFECAW-LLVKDONJSA-N 310.361 2.379 0 40 DEAB C[C@@H](CCc1cccc(F)c1)N(C)CC(=O)N1CCC(O)CC1 96008775 VKODTHFTIBRKOI-AWEZNQCLSA-N 322.424 2.062 0 40 DEAB Cc1ncsc1CN1CCC([C@@H](O)c2nccn2C)CC1 93455022 ALDBGILINPPZCW-CQSZACIVSA-N 306.435 2.131 0 40 DEAB COc1ccc([C@H](C)NCC2CCS(=O)(=O)CC2)cc1F 90883073 KJASPJOCKCBSKJ-NSHDSACASA-N 315.410 2.310 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H](C)O1 24014351 QLWDYULVUGKLEK-DTORHVGOSA-N 314.179 2.404 0 40 DEAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)NCCCn1cccn1 69369577 QMPXHIDRBAKTCM-CABCVRRESA-N 314.389 2.137 0 40 DEAB O=S(=O)(Nc1ccc(Cl)cn1)c1c[nH]c2ncccc12 69674728 JYBJFHWIYYSXFP-UHFFFAOYSA-N 308.750 2.412 0 40 DEAB COC(=O)[C@@H](c1cc(F)ccc1F)N(C)C(=O)c1ccccn1 69818872 UVJAYLQNZGEIFV-CQSZACIVSA-N 320.295 2.346 0 40 DEAB COCCN(C)C(=O)[C@H]1CCCN(C(=O)CC2=CCCCC2)C1 95389675 LRJYGPDEYVGCEC-INIZCTEOSA-N 322.449 2.220 0 40 DEAB COc1cccc(C2=CCN(CCN3CCCC3=O)CC2)c1 95389976 FUWDDLDVFMKVPH-UHFFFAOYSA-N 300.402 2.407 0 40 DEAB Cc1ccc(CNc2cc(N3CCC[C@@H]3CO)ncn2)s1 72276137 VESRKOIDKRTYSL-GFCCVEGCSA-N 304.419 2.420 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)no1 72299225 HVKQXNXTPXHKIW-NSHDSACASA-N 315.329 2.338 0 40 DEAB Cc1nc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cn2)no1 84280891 VVTWFIUYNFUIEH-LLVKDONJSA-N 321.768 2.202 0 40 DEAB Cc1ccn(-c2ccc(C(=O)N[C@@H]3CCc4nccn4C3)cc2)n1 97197550 BWGKTRCMSKRGIB-OAHLLOKOSA-N 321.384 2.122 0 40 DEAB Cc1ccc(NC(=O)CCc2cn(C)nc2C)c(C(=O)O)c1 97109109 HRDPBQQTHWQXJM-UHFFFAOYSA-N 301.346 2.306 0 40 DEAB COc1ncc(Cl)c(NCc2ccc(C(=O)N(C)C)cc2)n1 95415896 DKYRSYWTCWRMTK-UHFFFAOYSA-N 320.780 2.453 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NC[C@H](N)c1ccccc1 95432028 OWYMTACHAHRALX-AWEZNQCLSA-N 308.378 2.112 0 40 DEAB Cc1ocnc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 95449235 PULSSZIPYFGJCA-UKRRQHHQSA-N 321.327 2.436 0 40 DEAB O=c1[nH]c(N2C[C@H]3CCC[C@H]3C2)nc2c1cnn2-c1ccccc1 95410688 CRWKWTLNHBJAIH-BETUJISGSA-N 321.384 2.345 0 40 DEAB CC1CCC2(CC1)OC[C@@H](CNC(=O)NCc1ccn(C)c1)O2 95991065 WZLQAAXEUOLTBU-GNHJJJEISA-N 321.421 2.146 0 40 DEAB C[C@@H](NCCC1(C)OCCO1)c1ccc(N2CCOC2=O)cc1 95940599 SCCHBNUXQZBTQY-CYBMUJFWSA-N 320.389 2.447 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)CSC(C)(C)C 95980337 TVLUOWMKZONODW-GFCCVEGCSA-N 311.451 2.458 0 40 DEAB COc1cccc([C@H](O)CNC(=O)Cc2ccccc2OC)c1 74559336 KUZBQRHETDIBLX-MRXNPFEDSA-N 315.369 2.096 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc(Br)c(O)c2)CCO1 89949260 XCHHKCKPFVZAML-SNVBAGLBSA-N 314.179 2.406 0 40 DEAB COc1ccc(-c2cnc(CN3CCN(C)C[C@H]3C)o2)cc1 89939317 VNJOEZBMCMZTBJ-CYBMUJFWSA-N 301.390 2.486 0 40 DEAB CCc1ncc2c(n1)CN(Cc1cccc3c1OCCO3)CC2 75605971 DUGLYJYSLKWCJA-UHFFFAOYSA-N 311.385 2.369 0 40 DEAB C[C@@H]1CC[C@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408651207 NHIPRBYVXLJJST-FOGDFJRCSA-N 320.776 2.406 0 40 DEAB O=C(N[C@H]1COc2ccc(F)cc2C1)c1cncnc1C1CC1 519686143 FYDOHTKDORHIPV-CYBMUJFWSA-N 313.332 2.227 0 40 DEAB CC(C(=O)NCCC(=O)NCc1ccccn1)=C1CCCC1 123288022 PLTILIMABICZMO-UHFFFAOYSA-N 301.390 2.095 0 40 DEAB Cc1nnnn1-c1cccc(C(=O)NCc2ccccc2F)c1 71282742 RNHHSGVUNJGANA-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB O=C(c1c[nH]c2ccccc12)N1CC[C@H](Oc2cnsn2)C1 675008198 HTMZQZVSVXRNSR-JTQLQIEISA-N 314.370 2.313 0 40 DEAB O=C(c1ccc2cc[nH]c2c1)N1CCN(c2cccnc2)C(=O)C1 675007964 HTEZUVKIIDPOEV-UHFFFAOYSA-N 320.352 2.052 0 40 DEAB CCN1CCN(Cn2nc(-c3ccccc3)[nH]c2=S)CC1 33029212 OKTICWMVMWOPMK-UHFFFAOYSA-N 303.435 2.203 0 40 DEAB COc1ccccc1CC(C)(C)C(=O)NCc1cnn(C)c1 79034357 YDDNYOVULMXQLD-UHFFFAOYSA-N 301.390 2.314 0 40 DEAB COc1ccc(-c2nnsc2C(=O)NC[C@@H]2CCCO2)cc1 36357228 GOLSBQMVCUVZQF-LBPRGKRZSA-N 319.386 2.123 0 40 DEAB Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)c1cccs1 72242698 UCBNBXMRZPZOKG-LBPRGKRZSA-N 309.416 2.202 0 40 DEAB CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)O)C2(C)C)c1 71284769 CLBWDIBTXNZZHX-QWHCGFSZSA-N 318.373 2.120 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1Cc2nc(Br)sc2CN1 71257045 INXLAAZKCHACTL-ZETCQYMHSA-N 319.224 2.262 0 40 DEAB CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(CC2CC2)C1 76981133 HCTPEBOMBZEEEA-GFCCVEGCSA-N 307.360 2.455 0 40 DEAB CSc1cncc(N2CC[C@@H]3[C@@H](CCC(=O)N3C3CC3)C2)n1 195566583 FZVYJSFIGMSCCZ-WCQYABFASA-N 318.446 2.178 0 40 DEAB COc1cccc(OC)c1C(=O)N1CCO[C@H]2CCCC[C@H]21 41194694 ZDAMKYRIMAYMOY-OLZOCXBDSA-N 305.374 2.487 0 40 DEAB O=C(NC1CCN(C2CCC2)CC1)c1ncc2c(F)cccn12 529465974 CNPVEKHXMKMCMV-UHFFFAOYSA-N 316.380 2.220 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 224997739 MIJYDHXDQABVAY-GFCCVEGCSA-N 324.446 2.453 0 40 DEAB Cc1ccc(OC(=O)C[C@H]2CCS(=O)(=O)C2)c(Cl)c1 96418982 ZYZCJGHMMHPIIT-SNVBAGLBSA-N 302.779 2.379 0 40 DEAB CC[C@H](CNC(=O)c1cn(C)nc1C)Oc1ccccc1F 96451727 QSXSNEUFCWYSOQ-GFCCVEGCSA-N 305.353 2.455 0 40 DEAB O=C(/C=C/c1cccnc1)N1CCN(Cc2cccc(O)c2)CC1 96454905 VQTACYPFEQYARM-VOTSOKGWSA-N 323.396 2.145 0 40 DEAB C[C@@H]1SCCN(C(=O)NCCc2cn3c(n2)CCCC3)[C@H]1C 96411412 KBDYYFOEBIUIGN-STQMWFEESA-N 322.478 2.297 0 40 DEAB COc1cccc(CC(=O)N2CCN(C)c3ncccc3C2)c1 96198801 ZSNNWQMPEQPIOU-UHFFFAOYSA-N 311.385 2.111 0 40 DEAB c1cncc(CN2CCc3ncnc(N4CCCC4)c3CC2)c1 96058721 KJXHYPJXBDBSAM-UHFFFAOYSA-N 309.417 2.073 0 40 DEAB COC(=O)[C@H]1c2ccc(O)cc2CCN1C(=O)OC(C)(C)C 147919062 YGXXHJJSBSREHZ-CYBMUJFWSA-N 307.346 2.400 0 40 DEAB CCc1cc(NC(=O)N[C@H](C)C[C@@H](O)c2ccco2)n(C)n1 95413314 RDACSDUFQMQBQZ-ZYHUDNBSSA-N 306.366 2.209 0 40 DEAB CNC(=O)CN(C)CC1(c2ccc(Br)cc2)CC1 96421786 XSBFWOLAYRDAPO-UHFFFAOYSA-N 311.223 2.159 0 40 DEAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1 96073395 BTOMXNMLRVHEDM-KBXCAEBGSA-N 319.401 2.440 0 40 DEAB CN(Cc1cccnc1)[C@H]1COC2(CCN(CCF)CC2)C1 96220903 OOGXOBBQZDKLCG-MRXNPFEDSA-N 307.413 2.106 0 40 DEAB O=C(CN1CC[C@H](CNc2ccccn2)C1)N1CCCCCC1 97200510 YVHZTYPOQHYMDL-MRXNPFEDSA-N 316.449 2.218 0 40 DEAB C[C@H]1CCC[C@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 96407245 UPVJWFYWPGVHRP-VGWMRTNUSA-N 324.465 2.487 0 40 DEAB CCOC(=O)N1CCC(N[C@H]2COc3ccccc3C2)CC1 96494290 CRSMPGOCMQGSJD-OAHLLOKOSA-N 304.390 2.201 0 40 DEAB Cc1ccn(CCC(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)n1 257246801 IVWQOMCCNSMXJC-HNNXBMFYSA-N 315.421 2.094 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)Cc3ccsc3)CCO2)nc(C)n1 257283925 PAMXMCWTOZOXCJ-HNNXBMFYSA-N 317.414 2.298 0 40 DEAB COC(C)(C)C(=O)N1[C@@H]2CN(C(C)=O)[C@@H]3CCCC[C@H]1[C@]3(C)C2 257237865 HINXACANOXIFBM-JTOWHCCKSA-N 322.449 2.192 0 40 DEAB COc1ccc([C@@H]2Cn3ccnc3CN2C(=O)c2cnco2)cc1 257245591 IQFYBHCLCHIKHR-AWEZNQCLSA-N 324.340 2.277 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2ccncn2)s1 257254639 KEBKSMODFJZLGI-ZDUSSCGKSA-N 302.403 2.456 0 40 DEAB CCCn1nccc1-c1cnc(C[C@H]2CCN(C(C)=O)C2)cn1 257303300 SGQQVBYXQJOXNF-CQSZACIVSA-N 313.405 2.161 0 40 DEAB Cc1cc(N2CCC[C@H]2c2cncc(-c3nccn3C)n2)ncn1 257337557 YTHFVUGFRVSGIX-HNNXBMFYSA-N 321.388 2.317 0 40 DEAB O=C(NCc1ccc(Cl)cc1Cl)C(=O)N1CCCC1 298662681 IXOCCOGBFRTYRL-UHFFFAOYSA-N 301.173 2.232 0 40 DEAB O=C(O)[C@H]1CN(C(=O)C2(C(F)F)CC2)C[C@@H]1c1ccccc1 1549040205 KXZBYIBCWJGKPE-NEPJUHHUSA-N 309.312 2.359 0 40 DEAB CC(C)[C@](O)(CN1CCC(n2cncn2)CC1)c1ccccc1 69844463 USHYNSGWTSMUHC-GOSISDBHSA-N 314.433 2.459 0 40 DEAB NC(=O)[C@H](NCc1ccccc1-n1cccn1)c1ccccc1 71836971 MSMDENDCSLINAA-QGZVFWFLSA-N 306.369 2.189 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)CNc2cccc(C(=O)N(C)C)c2)C1 56018519 LZBKNTARTHJCAV-ZIAGYGMSSA-N 317.433 2.305 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3cscn3)C2)nc1 1775995797 JCEBSIKDWYAEHD-LBPRGKRZSA-N 318.402 2.173 0 40 DEAB CO[C@H](CNC(=O)NCC(C)(C)O)c1cccc(Cl)c1 74871536 ODEMAZVTTLYQNH-GFCCVEGCSA-N 300.786 2.098 0 40 DEAB C[C@@](NC(=O)NCc1ccccc1F)(C(=O)O)c1ccco1 78254021 VXPCKZVWLMVECR-HNNXBMFYSA-N 306.293 2.218 0 40 DEAB CCN1CCCN(CC)CCN(CC)CCCN(CC)CC1 38428364 SUFAWONXXWKZQG-UHFFFAOYSA-N 312.546 2.068 0 40 DEAB Cn1nc(-c2ccccn2)cc1CNC(=O)Cc1ccc(F)cc1 1775965940 MCWKDEDBRDAHGG-UHFFFAOYSA-N 324.359 2.480 0 40 DEAB Cn1cccc1/C=C1/SC(=O)N(CC(=O)OC(C)(C)C)C1=O 5007724 HJDUOFFSDZCMGZ-DHZHZOJOSA-N 322.386 2.403 0 40 DEAB CC(C)C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 5713203 QCMOPQMHPUUXHQ-UHFFFAOYSA-N 305.374 2.440 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@@H]2C12CC2 13750158 MVROWXTYGUZCIV-NEBZKDRISA-N 323.348 2.175 0 40 DEAB CN(C)C(=S)/N=c1\ss/c(=N\c2ccccc2)n1C 18252126 CLTQXRQZNGPZGB-XSYHWHKQSA-N 310.473 2.128 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)c1ccccc1 19936357 SUQLLDWLVHGCMV-SNVBAGLBSA-N 318.354 2.161 0 40 DEAB CN(C)C(=O)N1CCC(CNC(=O)c2cccc(Cl)c2)CC1 390831127 PULISYGVMIQRBC-UHFFFAOYSA-N 323.824 2.463 0 40 DEAB COC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 4201653 UNWNWTAMNNWKCB-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1cnccc1O[C@@H]1CCN(c2cc(=O)n3ccccc3n2)C1 1889138766 HABSWKRTRPOFRN-CQSZACIVSA-N 322.368 2.056 0 40 DEAB O=C(CSc1nc2ncccc2[nH]1)NCCc1ccccc1 18097775 IFHAUPSQDLXLPH-UHFFFAOYSA-N 312.398 2.409 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](B(O)OC(C)(C)C(C)(C)O)C1 200337482 MWJSHQOUSFUVSS-LLVKDONJSA-N 315.219 2.044 0 40 DEAB O=C(Nc1ccncc1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40553406 JNKRYVFGRNASOC-LLVKDONJSA-N 317.780 2.380 0 40 DEAB O=C(NCCc1nccs1)Nc1cccc2c1OCCO2 51618373 OGBALQMIWPSRBS-UHFFFAOYSA-N 305.359 2.279 0 40 DEAB Cc1cc([C@@H](C)NC(=O)CCN2C(=O)CCC2=O)c(C)s1 31951279 LVSWEGOTWUSZEG-SNVBAGLBSA-N 308.403 2.081 0 40 DEAB Nc1nc(Cl)cc(NCCN2CCc3ccccc3C2)n1 32779303 HHDKWKJIOGARLY-UHFFFAOYSA-N 303.797 2.182 0 40 DEAB O=C(Nc1ccc(C(=O)OCCn2cccn2)cc1)NC1CC1 52765792 JWZHDVKHAONGOD-UHFFFAOYSA-N 314.345 2.024 0 40 DEAB COc1ccc2c(c1)C(=O)[C@H]([C@@]1(O)C(=O)Nc3ccccc31)CC2 70343 SISBGYPFGBWATJ-DNVCBOLYSA-N 323.348 2.280 0 40 DEAB COc1ccc(OCC(=O)NCC2(N(C)C)CCCCC2)cc1 11916186 CDMHTNUKBSDDJH-UHFFFAOYSA-N 320.433 2.455 0 40 DEAB CCCc1nc([C@H](NS(=O)(=O)CC)c2ccccc2)no1 71914607 FARBYQPSXJSFQC-CYBMUJFWSA-N 309.391 2.051 0 40 DEAB CCO[C@@H]1C[C@H](N(C)C(=O)c2nccnc2N)C12CCCCC2 76023002 BIDFMQYAACDZKX-QWHCGFSZSA-N 318.421 2.259 0 40 DEAB O=C(NCCNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1 41598175 QWMKTRCRXMFVRG-UHFFFAOYSA-N 301.173 2.249 0 40 DEAB CSCc1nnc(S[C@H](C)C(=O)Nc2cc(C)on2)o1 22094779 MUXZIVCHCIHNEL-SSDOTTSWSA-N 314.392 2.348 0 40 DEAB COc1cc(C(=O)N2C[C@H](C)C(=O)C[C@H]2C)cc(OC)c1OC 501164 UAYQPVIWWHEFLV-WDEREUQCSA-N 321.373 2.152 0 40 DEAB CCc1cnc(CNC(=O)N2CCC(n3ccnc3)CC2)s1 78953382 BCKRNDFMMBTIPF-UHFFFAOYSA-N 319.434 2.449 0 40 DEAB Cc1cc([C@](C)(O)CNC(=O)NCc2nc(C)c(C)o2)c(C)o1 78951934 WFYFHZVOIXEXRG-MRXNPFEDSA-N 321.377 2.208 0 40 DEAB C[C@@H]1CCC[C@H](OCC(=O)NCc2ccccc2OCCO)C1 79067030 SWYAKMLTQQJSRF-ZBFHGGJFSA-N 321.417 2.269 0 40 DEAB C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)CCn1cncn1 79585242 VQFNYVKCLQCMLD-MEDUHNTESA-N 302.353 2.247 0 40 DEAB CCOC(=O)[C@@](NC(C)=O)(Nc1ccccc1C)C(F)(F)F 2274780 KLEMMJZSETXMDX-CYBMUJFWSA-N 318.295 2.365 0 40 DEAB Cc1cccc(C[C@@H](C(=O)Nc2ccccc2)c2nnn[nH]2)c1 6556973 IKZRGQQVVWKSND-OAHLLOKOSA-N 307.357 2.473 0 40 DEAB NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1cccs1 7727522 ZEQKMANPUHGYBU-UHFFFAOYSA-N 322.367 2.394 0 40 DEAB Cn1nnnc1SCc1nc(-c2cccc(Cl)c2)no1 7911384 GBOCWYIHUHIITG-UHFFFAOYSA-N 308.754 2.206 0 40 DEAB CCN(CCC(=O)OC)C(=O)Cc1c(C)[nH]c2ccccc12 71964096 GXYHRGSDBJXYHP-UHFFFAOYSA-N 302.374 2.430 0 40 DEAB C[C@@H](c1ccccc1Cl)N(CC(=O)N1CCNC1=O)C1CC1 54175765 DTEKNYZVOLXLBF-NSHDSACASA-N 321.808 2.417 0 40 DEAB CCCN(CCc1ccccn1)C(=O)CCNC(=O)C(C)(C)C 61435215 RCIHEOMFUGWHPX-UHFFFAOYSA-N 319.449 2.415 0 40 DEAB CN(C)/C=C1/C(=O)c2sccc2[C@@H]1NC(=O)C(F)(F)F 1386556 CMVMKIWABGOSPV-IVGLGHLBSA-N 304.293 2.110 0 40 DEAB COc1ccc(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C=O)cc1OC 103630553 KKWQKDSIGOIGIK-STQMWFEESA-N 319.357 2.012 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1[C@H](C)c1nnc(C)o1 106668303 KOPACDWDSNSUKT-MRVWCRGKSA-N 306.410 2.304 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCO[C@H]2CCCC[C@@H]21 57218043 DYSODMGHPDXUOZ-GJZGRUSLSA-N 301.390 2.440 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N2CCC[C@@H](C)C2)cc1 22534013 URFZDXKMVFQHTM-GFCCVEGCSA-N 311.403 2.035 0 40 DEAB Cc1nnc(SC[C@H]2CNC(c3ccccc3)=NO2)s1 57744718 PANBDKMPFMDQNP-LLVKDONJSA-N 306.416 2.289 0 40 DEAB NCC1CCN(C(=O)c2cc(F)ccc2Br)CC1 44512692 GTLQSDDLTMLPJE-UHFFFAOYSA-N 315.186 2.399 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)N(C)Cc2cnn(C)c2)cc1F 27539549 VHOZCEKQPAQULE-LBPRGKRZSA-N 304.369 2.327 0 40 DEAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)oc(=O)n3C)c1 28049039 AHQDHIKASPMBPJ-UHFFFAOYSA-N 311.341 2.450 0 40 DEAB COc1ccc(OC)c(CCC(=O)N2CCOCC2(C)C)c1 58277780 VPNZOAMDRWXAJF-UHFFFAOYSA-N 307.390 2.274 0 40 DEAB CN(CC1CC1)C(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2 44973331 LUEZBCOHWMZUHZ-UHFFFAOYSA-N 313.357 2.330 0 40 DEAB CCOC(=O)/C(=N/Nc1ccccc1Br)C(C)=O 103546889 UXSDDKBTWZUEKS-RVDMUPIBSA-N 313.151 2.369 0 40 DEAB CSc1ncccc1C(=O)NCc1nnc2n1CCCCC2 12756260 DGHASIOOCANKQT-UHFFFAOYSA-N 317.418 2.051 0 40 DEAB CN(C1CCCC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 24707843 BZCBAOFDTBYMMK-UHFFFAOYSA-N 322.430 2.377 0 40 DEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(F)ccc1F)CS2 12942912 MCLJQKKWDAFDNI-BXUZGUMPSA-N 312.341 2.357 0 40 DEAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCCS1(=O)=O 48741322 JEQFMISYQKNWHY-UHFFFAOYSA-N 319.382 2.441 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 9113445 JTXKHTZVKNSAKT-UHFFFAOYSA-N 323.780 2.389 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(F)c(F)c1 5271546 SITKTYQPKPUGAH-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB C[C@H]1CN(c2ccc(CNC(=O)c3ccco3)cn2)C[C@@H](C)O1 65423611 CXYFVLBAVGTBBS-BETUJISGSA-N 315.373 2.218 0 40 DEAB O=C(NCC(=O)N1CCc2ccccc2C1)C1CCCCC1 6344946 WDCPQBMGKLPFFS-UHFFFAOYSA-N 300.402 2.268 0 40 DEAB COC(=O)CCNC(=O)COc1ccc(Cl)cc1Cl 5526148 MSXCXFAVLXFKGZ-UHFFFAOYSA-N 306.145 2.052 0 40 DEAB Cc1csc(=O)n1CC(=O)N[C@H]1CCCc2ccccc21 5798185 AJSUDHWJFZBBRT-AWEZNQCLSA-N 302.399 2.412 0 40 DEAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CC[C@H](O)C2)c1 97085216 ZZHICNSPTVMSFJ-FPTDNZKUSA-N 324.446 2.332 0 40 DEAB CC(C)Cc1cc(C(=O)NC[C@H](C)Oc2cccnc2)n(C)n1 65387221 PFVYJRGKUGZALT-ZDUSSCGKSA-N 316.405 2.211 0 40 DEAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCc2ccccc2C1 7378658 SVEQRLCWEMRDAU-CYBMUJFWSA-N 323.396 2.171 0 40 DEAB O=C(COc1cccc(F)c1)NC[C@H]1COc2ccccc2O1 7757285 ABMITDIMBMCLMY-AWEZNQCLSA-N 317.316 2.161 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCc2ccccc21 7920620 GFWKHQCKWFCIKZ-DOMZBBRYSA-N 307.415 2.005 0 40 DEAB O=C1CC[C@@]2(C(=O)N[C@H]3CCCc4ccccc43)SCCN12 8262938 MFZMNDYWKNBHFI-YOEHRIQHSA-N 316.426 2.246 0 40 DEAB CCc1nnc(NC(=O)c2cc3ccccc3oc2=O)s1 17042897 ZPURANXTDWMLLG-UHFFFAOYSA-N 301.327 2.459 0 40 DEAB aggregator CN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1noc2ccccc12 69490842 CVHBREBOXANRNP-HOTGVXAUSA-N 313.401 2.456 0 40 DEAB Cn1ccnc1[C@@](O)(CCNCc1cccs1)C(F)(F)F 67698907 AELVHAKLOYFNKN-LBPRGKRZSA-N 319.352 2.411 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](CSc2n[nH]c(N)n2)C1 69566716 RKHDIFSYIQRUPT-VIFPVBQESA-N 313.427 2.126 0 40 DEAB Cc1[nH]ncc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 70212153 XBNRDTMTWBAOLT-UHFFFAOYSA-N 304.781 2.334 0 40 DEAB Cc1cccc(C2(C(=O)N[C@@H](C)C(=O)N(C)C)CCCC2)c1 69697380 QZURVLBGCQMWOG-AWEZNQCLSA-N 302.418 2.400 0 40 DEAB Cc1noc([C@@H](C)N2CCN(CCOc3ccccc3)CC2)n1 69653351 PSJQGNDNBGPWKD-CQSZACIVSA-N 316.405 2.136 0 40 DEAB C[C@H]1CC(=O)NCCN1c1ncnc2sc3c(c12)CCCC3 71889389 QYOUWXCBAZMVCK-JTQLQIEISA-N 316.430 2.285 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCOCC(F)(F)F 71880526 PYONVGDAGYNYTG-CHWSQXEVSA-N 308.344 2.041 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1 71821069 INIWKOBQZAMAGR-NVXWUHKLSA-N 324.380 2.141 0 40 DEAB CCN(C)[C@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 72255110 KREBRVUSFIZFIY-WBVHZDCISA-N 312.417 2.007 0 40 DEAB CC(C)N(C(=O)N[C@H]1CCCN(c2cccnc2)C1=O)C1CC1 97108159 ZSNGFXAOKUWXHI-HNNXBMFYSA-N 316.405 2.159 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1ccc(-n2ccnc2)nn1 84350631 QMWKTKFPSNXWPS-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB Cc1cc([C@H](C)NCCCS(=O)(=O)N(C)C)c(C)s1 97373707 JFNCXCFMPRPGNE-NSHDSACASA-N 304.481 2.297 0 40 DEAB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)N(CCO)C2CC2)cc1 72527295 JLQHDFDUPSXLMX-IRXDYDNUSA-N 318.417 2.381 0 40 DEAB COc1ccc(C)cc1NCCC(=O)NCCCn1ccnc1 95397282 PKDMZOOMSJIELX-UHFFFAOYSA-N 316.405 2.209 0 40 DEAB C[C@H](NCc1cccc2c1OCCO2)c1nnc2n1CCCC2 84668003 WXTLXQBMYDGLGC-LBPRGKRZSA-N 314.389 2.236 0 40 DEAB Cc1ccc(OCC(=O)N2CCC[C@](O)(C(F)(F)F)C2)cc1 98016261 CGMWKHJUJUVPEH-CQSZACIVSA-N 317.307 2.290 0 40 DEAB C[C@@H]1CCCC[C@H]1CNC(=O)N(C)CCCN1CCN(C)CC1 95996184 BIKJUCAUJCZUFJ-SJORKVTESA-N 324.513 2.092 0 40 DEAB COc1ccc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1 95994998 AIQCUNFCTJUOGV-CYBMUJFWSA-N 315.377 2.231 0 40 DEAB CC[C@H](O)CN1CCC(NC(=O)Nc2cccc(C)c2)CC1 95976165 FYDFVHKOBCBLNC-INIZCTEOSA-N 305.422 2.352 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN2C[C@@H](C(N)=O)CC[C@@H]2C)cc1 95982669 DEXSYIVQVAQZQK-ZFWWWQNUSA-N 312.417 2.471 0 40 DEAB COC(=O)Nc1cccc(C(=O)N2CCC[C@H]2C(C)(C)O)c1 89761619 PZZCKCAHINUUBZ-ZDUSSCGKSA-N 306.362 2.240 0 40 DEAB O=C(Nc1cc(-c2cccc(F)c2F)n[nH]1)c1cnsn1 89768159 IUSBLJRBBNUKQL-UHFFFAOYSA-N 307.285 2.459 0 40 DEAB O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCC1 24275151 DTEBOLYCDWQMSV-UHFFFAOYSA-N 316.382 2.333 0 40 DEAB COc1cc2c(cc1OC)-c1c(c(C(=O)NC(C)C)nn1C)C2 32124256 SASPOCDYVGTKKX-UHFFFAOYSA-N 315.373 2.147 0 40 DEAB biogenic Cc1nn(C)c(NC(=O)C(=O)c2cnn(-c3ccccc3)c2)c1C 70856861 DMVBWORVOBNNBV-UHFFFAOYSA-N 323.356 2.044 0 40 DEAB CN(C)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cn1 78556725 AVAWOKHYMLPXIO-UHFFFAOYSA-N 313.329 2.227 0 40 DEAB Cc1cc(N(C)C)nc(CC2CCN(c3ncccn3)CC2)n1 72352119 VQEPKZWHLIHQKK-UHFFFAOYSA-N 312.421 2.100 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@@H]1c1cccc(F)c1 72241947 YJGQCONXTVFVOE-ZBFHGGJFSA-N 304.365 2.358 0 40 DEAB CCCc1noc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 41122457 ISSIAYYMHBGADR-CYBMUJFWSA-N 300.362 2.437 0 40 DEAB O=C(CN1CCC(c2ccc3c(c2)OCO3)CC1)N1CCCC1 72342099 KYLFMYJUQDKXCN-UHFFFAOYSA-N 316.401 2.217 0 40 DEAB CCCCS(=O)(=O)Nc1ccc2c(c1)OC(C)(C)C(=O)N2 46088444 OTOSGGMQBXCIRR-UHFFFAOYSA-N 312.391 2.338 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@@H](C)n1nc(C)cc1C 88268794 AJCNHTAUCWLCBP-QLFBSQMISA-N 321.421 2.299 0 40 DEAB Cn1ncc(N2CCc3c(F)ccc(F)c3C2)c(Cl)c1=O 84489043 CCGLXRTUZVYCLM-UHFFFAOYSA-N 311.719 2.275 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)O 195542082 RNJZSPFHQIIFTH-SFGNSQDASA-N 301.264 2.398 0 40 DEAB Cc1cc(S(=O)(=O)N(C)C2CCC(N)CC2)sc1C 195555328 QVKSGVYPEUQEOG-UHFFFAOYSA-N 302.465 2.255 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(-c2ccncc2)cc1 571544640 WWTFXIPSDPGLBF-DYVFJYSZSA-N 323.396 2.452 0 40 DEAB Cc1cccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)c1 224271458 AIISIUCPIMGFFA-UHFFFAOYSA-N 318.402 2.186 0 40 DEAB CCOc1ccc(-c2nc(N)cc(SCC(=O)O)n2)cc1 49470057 NMHVCDKIGGNELW-UHFFFAOYSA-N 305.359 2.301 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2O)cc1 146095342 CJQHKYGLFVEPPJ-UHFFFAOYSA-N 307.327 2.200 0 40 DEAB COc1cc2c(cc1OC)[C@@]13CCN[C@@H](C2)[C@@H]1CCC(=O)C3 96316416 GZZOFTMOJHVMPV-DHSIGJKJSA-N 301.386 2.229 0 40 DEAB biogenic,in-vitro Cc1cccc([C@@H]2CCCCN2C(=O)[C@H](C)NC(N)=O)c1C 96431882 KVMNENJROWVKCH-ZFWWWQNUSA-N 303.406 2.414 0 40 DEAB COCC[C@@H]1CO[C@@]2(CCN(C(=O)c3ccc(C)nc3)C2)C1 96218283 VGKULLIMIIEWFC-YOEHRIQHSA-N 304.390 2.048 0 40 DEAB c1cc(CN2C[C@@H]3COC[C@]3(COCC3CCOCC3)C2)co1 96108763 HCRYIIHPTJJLHT-QZTJIDSGSA-N 321.417 2.171 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@H](N2CCCC2)C[C@@H]1C(=O)O 96069041 HEAYHPULLRCRMB-QWHCGFSZSA-N 322.430 2.210 0 40 DEAB Cc1ccc([C@H]2C[C@H]2C(=O)NCCc2nncn2C2CC2)s1 96405467 GRLHMTWGAFNHNN-QWHCGFSZSA-N 316.430 2.445 0 40 DEAB O=C(Cn1cc2ccccc2n1)N1CCC(n2ccnc2)CC1 330158400 QAABSWIPQVROFE-UHFFFAOYSA-N 309.373 2.097 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2cnn(CC)c21 96198350 YSOZAOXIKLSBDA-LBPRGKRZSA-N 320.418 2.136 0 40 DEAB Nc1nccnc1C[C@@H]1CCCN(C(=O)c2cccs2)C1 257199705 AAOGXKKNBOVHQI-NSHDSACASA-N 302.403 2.215 0 40 DEAB CCn1cc(C(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)c(C)n1 257269485 MQEXDNRNHWEDMU-CYBMUJFWSA-N 301.394 2.029 0 40 DEAB Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCOCC2)cc1 24655324 MVRHOBIXXGFMHA-UHFFFAOYSA-N 313.357 2.016 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H]1c1cncc(NC)n1 257292010 QJPOMVNDCYIJIA-ZDUSSCGKSA-N 315.377 2.354 0 40 DEAB CO[C@H]1CN(C(=O)c2cc3cccc(F)c3[nH]2)C[C@@]12CCCO2 257331125 XRMMXNAQQXTJPD-YOEHRIQHSA-N 318.348 2.327 0 40 DEAB Cc1ncc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)cn1 257266274 MCGNWHLCDLNYTR-HNNXBMFYSA-N 308.389 2.436 0 40 DEAB C[S@](=O)c1cccc(NC(=O)NC2CCC(C(=O)O)CC2)c1 263496735 REJVGKCGKQOLGT-RIWMUXIDSA-N 324.402 2.189 0 40 DEAB COC(=O)[C@H](NCc1cccc2c1OCCO2)c1ccccc1 64843804 WWOVYVZQEIRQCL-MRXNPFEDSA-N 313.353 2.462 0 40 DEAB Cc1cc(C)cc(-c2cc(NC(=O)c3ccc(=O)[nH]n3)[nH]n2)c1 69570107 MLSQQLAYCSQNHD-UHFFFAOYSA-N 309.329 2.029 0 40 DEAB CCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O 71907569 IIZBKTYRGOXYPB-NSHDSACASA-N 316.279 2.217 0 40 DEAB COc1ncccc1NC(=O)NC[C@H](c1ccco1)N(C)C 48414105 JKRVFUSSCMIMFW-GFCCVEGCSA-N 304.350 2.108 0 40 DEAB COC(=O)c1cc(CNC(=O)NC(C2CC2)C2CC2)oc1C 48445346 XBJMMPQTPLWJMR-UHFFFAOYSA-N 306.362 2.362 0 40 DEAB Cc1cc(F)c(S(=O)(=O)N[C@@H](C)C[C@@H]2CCOC2)cc1F 95417540 JSKBTQUMJWERPM-QWRGUYRKSA-N 319.373 2.367 0 40 DEAB CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3n[nH]c(O)n3)sc2C1 97047649 MNSQBIDCGYNASR-SSDOTTSWSA-N 321.406 2.370 0 40 DEAB O=C(c1cc[nH]n1)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 97046140 FYTUPANYFSELKW-ZDUSSCGKSA-N 322.372 2.215 0 40 DEAB O=C(COc1cccc(Cl)c1)N1CCC2(CC1)OCCO2 58699333 ISRLPFSYMHLLCW-UHFFFAOYSA-N 311.765 2.084 0 40 DEAB O=C(O)CSCCNC(=O)CCc1ccccc1Cl 95425375 WGLXMWYWOFJCPI-UHFFFAOYSA-N 301.795 2.207 0 40 DEAB N[C@@H](CCCOS(=O)(=O)O)Cc1ccc2ccccc2c1 5572915 WYFUVNLTXIBIMU-HNNXBMFYSA-N 309.387 2.309 0 40 DEAB C[C@H](CNC(=O)c1ccnc2ccc(Cl)cc12)n1cncn1 12201506 SRICOSSRXLWBEV-SNVBAGLBSA-N 315.764 2.471 0 40 DEAB COc1cc(C(=O)N2C[C@H]3C[C@H]2CS3)cc(OC)c1OC 575608834 VYZVGYWTCHKRFL-WDEREUQCSA-N 309.387 2.042 0 40 DEAB O=C([C@@H]1CN(Cc2ccc(F)cc2)CCO1)N1CCCCC1 1888843858 LBFCVWUUKXHVLL-INIZCTEOSA-N 306.381 2.039 0 40 DEAB Cc1cnc(OC[C@@]23CCC[C@H]2CN(C(=O)C(C)C)C3)nc1 1888856764 CXLJQAAIKPKEKF-YOEHRIQHSA-N 303.406 2.449 0 40 DEAB O=C(O)c1cncc(NS(=O)(=O)c2ccc(Cl)cc2)c1 2458686 OGSCLNHAWKJEFG-UHFFFAOYSA-N 312.734 2.234 0 40 DEAB CS(=O)(=O)N1CCN=C1SCc1cccc(Cl)c1 2711804 OKWZBBOFYBPOPQ-UHFFFAOYSA-N 304.824 2.204 0 40 DEAB O=C(NCc1nnnn1-c1cccc(F)c1)Nc1ccccc1 9615800 XNRJFIUZDJCWJH-UHFFFAOYSA-N 312.308 2.123 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3ccncc3Cl)C2)nc1 2086884556 JSHJVRXJXDKGMI-SNVBAGLBSA-N 306.753 2.191 0 40 DEAB O=C(CCSc1ccccc1)NCCOCCn1ccnc1 575620156 PZGLVPOBEAESJY-UHFFFAOYSA-N 319.430 2.198 0 40 DEAB NC(=O)c1ccsc1NC(=O)c1cc(=O)c2ccccc2o1 4275743 CAPHGJRHWJXXBC-UHFFFAOYSA-N 314.322 2.206 0 40 DEAB Cc1csc(=O)n1CCC(=O)N1CCS[C@@H](C(C)C)C1 96432299 UWPWEHCIDSRMGV-GFCCVEGCSA-N 314.476 2.208 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)C1=NN(C)C(=O)CC1 40013502 VGKVBXCSTRRXMH-LBPRGKRZSA-N 305.403 2.192 0 40 DEAB CN(Cc1ccsc1)C(=O)c1ccc(N2CCOCC2)nc1 40485303 GVWVOBUFYJKQQQ-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB CN(C(=O)Cc1ccc2ccccc2c1)[C@H]1CCS(=O)(=O)C1 31610965 JWUQDCAAAJNAPH-INIZCTEOSA-N 317.410 2.028 0 40 DEAB O=C(c1ccc(-n2cncn2)cc1)N1CCO[C@@H]2CCCC[C@@H]21 40554173 LYKQSSQKMZTQTH-JKSUJKDBSA-N 312.373 2.051 0 40 DEAB O=C(Cc1cccc(F)c1)NCc1ccnc(-n2cccn2)c1 40510770 ZDJIXGJLPQVEKU-UHFFFAOYSA-N 310.332 2.265 0 40 DEAB O=C(c1ccsc1)N1CCN(C[C@H](O)c2ccccc2)CC1 51450604 BPMPOKMUOUGPLV-INIZCTEOSA-N 316.426 2.240 0 40 DEAB O=C([C@@H]1COCCO1)N(Cc1ccc(F)cc1)CC(F)(F)F 76041231 UFVLZWLTQOUYKQ-LBPRGKRZSA-N 321.270 2.132 0 40 DEAB COc1ccccc1C1(C(=O)N2C[C@H](C)[C@@H](N(C)C)C2)CC1 76050830 FNZSOHORXYKYBB-ZFWWWQNUSA-N 302.418 2.135 0 40 DEAB Cc1noc(COc2ccc(NC(=O)C3CCOCC3)cc2)n1 78725701 GRDAHKHMMNRBJC-UHFFFAOYSA-N 317.345 2.322 0 40 DEAB O=C1N[C@@H](O)c2cc(Br)cc(Br)c2O1 1574700 NOEMWONRIWCYNN-ZETCQYMHSA-N 322.940 2.305 0 40 DEAB CC(=O)Nc1ccc(C(=O)NC[C@](C)(O)c2ccc(C)o2)cc1 78941861 PKRGFDSYMQJACE-KRWDZBQOSA-N 316.357 2.184 0 40 DEAB O=C(C1=COCC1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 78901754 POPPEZZMDYGTRT-SECBINFHSA-N 315.295 2.439 0 40 DEAB COCc1nc2cc(NC(=O)c3ccc4nncn4c3)ccc2o1 79026154 KENCFCYAKKQASH-UHFFFAOYSA-N 323.312 2.269 0 40 DEAB COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccccc1 1934310 NTMACPUJAHMUTC-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccsc2C(N)=O)c(C)c1 79106520 SONVFILPESYHSQ-UHFFFAOYSA-N 310.400 2.265 0 40 DEAB COc1ccc(N2C(=O)C[C@H](NCc3cccs3)C2=O)cc1 520629 DMHJRRXEDGRYAG-AWEZNQCLSA-N 316.382 2.178 0 40 DEAB Cc1cccc(C2(C(=O)N[C@H](C)CN3CCCC3=O)CC2)c1 53121553 LKINPHHSKKRTJH-CQSZACIVSA-N 300.402 2.154 0 40 DEAB O=S(=O)(c1ccccc1Br)N1CCSCC1 37575073 FWWGTQDCMHUROG-UHFFFAOYSA-N 322.249 2.187 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100199666 MDTWGIKGLITWIA-KPLDXPABSA-N 323.348 2.169 0 40 DEAB CCc1noc(C)c1C(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 43056177 ZEHNXDBPQDQSJK-CYBMUJFWSA-N 301.346 2.041 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCCN2[C@H](C)c2nnc(C)o2)n1 106784994 KALJHJGAWPTJOS-QMTHXVAHSA-N 304.398 2.202 0 40 DEAB NC(=O)COc1ccccc1C(=O)Nc1cnc2ccccc2c1 25157277 JACQMUQUSVFUOB-UHFFFAOYSA-N 321.336 2.351 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)cc1 101049336 IQPUQDZEJRQLJP-BETUJISGSA-N 311.403 2.164 0 40 DEAB CCN(CC)C(=O)C1CCN(C(=O)c2cc(C)ccc2O)CC1 57557837 HJCZLTYJIJYDFH-UHFFFAOYSA-N 318.417 2.421 0 40 DEAB COc1ccc(NC(=S)NC(C)=O)cc1-c1ccc(CO)o1 20151234 QJSYBOSEJNYNLZ-UHFFFAOYSA-N 320.370 2.280 0 40 DEAB COc1ccccc1CNC(=O)[C@@H](C)c1c(C)nn(C)c1C 58156496 OFDBUTYYPKGNRY-NSHDSACASA-N 301.390 2.465 0 40 DEAB COCCCC(=O)NC1CCN(Cc2cccc(OC)c2)CC1 58198079 WOHDJSBRWVXNOF-UHFFFAOYSA-N 320.433 2.202 0 40 DEAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H](N2CCNC2=O)C1 58174072 ZXZRNCIUAHLYKH-ZDUSSCGKSA-N 322.796 2.362 0 40 DEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 44830405 VKTPYLNMWGTWPK-NWDGAFQWSA-N 320.320 2.390 0 40 DEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCC1(c2ccccc2)CCC1 10221461 DXWZHLWNQIAVQY-DZGCQCFKSA-N 317.433 2.308 0 40 DEAB CCN(CC(=O)NC)C(=O)c1cc(-c2cccc(Cl)c2)no1 58244702 JMLVTWMACXKCND-UHFFFAOYSA-N 321.764 2.203 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)CCC(=O)c1ccccc1 58305619 LOUYLAGDLYSFAC-AWEZNQCLSA-N 305.374 2.353 0 40 DEAB Cc1ccc(C)c(OC[C@@H](O)CN2C(=O)CC(C)(C)C2=O)c1C 58060798 TWXGRKWRHQTYFI-AWEZNQCLSA-N 319.401 2.137 0 40 DEAB Cc1cc(C)n(-c2ccc(S[C@H](C)C(=O)NC3CC3)nn2)n1 11139862 PIYRJGMZEHZWLF-LLVKDONJSA-N 317.418 2.038 0 40 DEAB Cn1cc(CN[C@@H]2c3ccccc3C[C@@H]2O)c(-c2ccncc2)n1 60062150 SRPJZUGLBXONQW-PKOBYXMFSA-N 320.396 2.230 0 40 DEAB COc1ccc(CCCNC(=O)N2CCSCC2)cc1OC 60103856 XPCIYWWKMHFGNX-UHFFFAOYSA-N 324.446 2.395 0 40 DEAB O=C([C@@H]1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1 29740439 PEXJGVDCZVWDOM-QGZVFWFLSA-N 322.412 2.278 0 40 DEAB CCN(CC(=O)N1CCC[C@H](O)C1)Cc1ccc(Cl)cc1 71897829 SCCMJCYXJLNVNO-HNNXBMFYSA-N 310.825 2.145 0 40 DEAB Oc1nc(N2CCOCC2)nc2nccc(-c3ccccc3)c12 13732832 OWYZTESWJSAVCE-UHFFFAOYSA-N 308.341 2.234 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccco3)C2)n1 65498347 NWIUJJXABFNXBQ-AGIUHOORSA-N 301.346 2.481 0 40 DEAB COc1ccc(OC)c(NC(=O)N[C@H](CC(C)C)C(=O)O)c1 6364574 DOCRVOWHIBVZGY-GFCCVEGCSA-N 310.350 2.325 0 40 DEAB CC(C)CCS(=O)(=O)Nc1cccc(N2CCOC2=O)c1 65542257 GWIULBDGAXYJBQ-UHFFFAOYSA-N 312.391 2.431 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cc(F)c(F)cc2F)CCS1 65612202 CHOSQVINCOVMDN-SSDOTTSWSA-N 311.350 2.230 0 40 DEAB Cc1ccc(CNC(=O)NCC(=O)N2CCc3ccccc32)cc1 14260063 UHRGYNMJICBKOJ-UHFFFAOYSA-N 323.396 2.384 0 40 DEAB COc1ccc(OCCOc2ccc(-n3cnnn3)cc2)cc1 5459770 REGRLNJRSYTOOW-UHFFFAOYSA-N 312.329 2.129 0 40 DEAB COC(=O)C1CCN(Cc2cc(=O)oc3cc(C)ccc23)CC1 6760322 CDOMJCMBQMNPDT-UHFFFAOYSA-N 315.369 2.486 0 40 DEAB biogenic COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1nncs1 71900536 PKTNPGAAXPITNH-LBPRGKRZSA-N 318.402 2.322 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)/C=C/c1cccnc1 71903973 MGTUOCNPGYTNLK-BQYQJAHWSA-N 310.401 2.080 0 40 DEAB O=C(c1ccc(-c2ccn[nH]2)cc1)N1CC[C@]2(CCCNC2)C1 67973802 KQMYWWDHGAAWFD-SFHVURJKSA-N 310.401 2.292 0 40 DEAB O=C(CCN1CCC(c2nc[nH]n2)CC1)Nc1cccc(F)c1 83443374 BXRBPNGWVPBZBJ-UHFFFAOYSA-N 317.368 2.152 0 40 DEAB c1ccc(CN2CC[C@H](Nc3nnnn3-c3ccccc3)C2)cc1 7980937 IDFQWEACSRBODG-INIZCTEOSA-N 320.400 2.349 0 40 DEAB COc1ccccc1COC(=O)CNC(=O)c1ccccc1F 8136576 UPDBQQXMEBUIIX-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cn[nH]c3C)C2)c1 81844483 RQPPKVISKPECFN-GFCCVEGCSA-N 315.373 2.365 0 40 DEAB CCOC(=O)c1ccc(NC(=O)c2cc(O)c(OC)cn2)cc1 16968443 AQZWZOODMGDUPL-UHFFFAOYSA-N 316.313 2.225 0 40 DEAB CN(CC(=O)N1CCC[C@H](n2ccnc2)C1)Cc1ccccc1 71796447 IGVPYPPJLRSVNE-KRWDZBQOSA-N 312.417 2.179 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)C12CCCC2 96432463 XPVHHCJGHLNLRC-OLZOCXBDSA-N 322.430 2.315 0 40 DEAB CC(=O)c1ccccc1NC(=O)c1ccc(-n2cnnn2)cc1 8401478 OFOKSCQZXKGKKL-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB COCCNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 69537619 YWMZAABOBRLLSV-UHFFFAOYSA-N 303.318 2.300 0 40 DEAB O=c1n(Cc2nc3ccccc3s2)nnn1-c1ccccc1 8542445 LLFTULWZQPXAOU-UHFFFAOYSA-N 309.354 2.087 0 40 DEAB O=C(COCC(=O)Nc1ccc(F)cc1)Nc1ccccc1 9667284 FVVIQFKMRHMHBC-UHFFFAOYSA-N 302.305 2.420 0 40 DEAB CC(C)(C)C(=O)N1CCC(NC[C@@H]2CCCn3ccnc32)CC1 84140022 JCJFQVJGXMVKBG-AWEZNQCLSA-N 318.465 2.387 0 40 DEAB C[C@H](NC(=O)c1cnccn1)c1nc(-c2ccncc2)cs1 72275216 RQOWHNZNEVGDHL-JTQLQIEISA-N 311.370 2.486 0 40 DEAB Cc1nnc(CN2CCN([C@H](C)c3ccsc3)CC2)n1C 97378896 OLBVSVXMPIIRMT-GFCCVEGCSA-N 305.451 2.064 0 40 DEAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)N1C[C@H]2CC=CC[C@H]2C1 72552824 BGBIOQLHVUXSCR-IJEWVQPXSA-N 316.405 2.492 0 40 DEAB CN1C[C@@H](Nc2nn3cc(C(C)(C)C)nc3s2)CCC1=O 95399254 MERCPGRHORNLAG-VIFPVBQESA-N 307.423 2.121 0 40 DEAB CC[C@@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1N1CCOCC1 84735823 AVYCARWMAYDDBN-CVEARBPZSA-N 322.474 2.250 0 40 DEAB Cc1cc(CC(=O)NCC(=O)c2cccc3ccccc23)n[nH]1 95446648 YCZYCYFFMMNHGN-UHFFFAOYSA-N 307.353 2.413 0 40 DEAB CC[C@H](CS(=O)(=O)c1ccccc1)NCc1ccccn1 95434271 WHSDWGULNQFZPZ-CQSZACIVSA-N 304.415 2.424 0 40 DEAB CCc1cnc(COc2ccc(C)cc2S(=O)(=O)N(C)C)o1 95402943 PEGZZODYECYOHH-UHFFFAOYSA-N 324.402 2.375 0 40 DEAB C[C@H](C(=O)NCCc1ccc(F)cc1)N(C)CC1(O)CCCC1 89478707 AKKYLPAJWYKGRS-CQSZACIVSA-N 322.424 2.110 0 40 DEAB O=C(c1ccc(-c2ccccc2)[nH]c1=O)N1CCSCC1 75120236 BYITZNMDUSNKDC-UHFFFAOYSA-N 300.383 2.231 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(C)c(F)c2)C1 89643384 OSVUVPREMVZFRD-INIZCTEOSA-N 308.353 2.229 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N[C@H]1CCn2ccnc2C1 548311610 IUVIVIXBEQXTNI-HNNXBMFYSA-N 308.385 2.277 0 40 DEAB Cc1c(N)cc(-c2nnc(-c3cc(N)c(C)c(N)c3)o2)cc1N 73634464 LQTOBOWPKBAWOO-UHFFFAOYSA-N 310.361 2.349 0 40 DEAB CCCCN(C)C(=O)[C@@H]1CCc2[nH]nc(-c3cnn(C)c3)c2C1 306123545 APUXWFHOGSTFAJ-GFCCVEGCSA-N 315.421 2.174 0 40 DEAB CC(C)n1c([C@H](C)NC(=O)c2cnccn2)nc2cccnc21 72342191 LDQOUIKJYRQVPC-NSHDSACASA-N 310.361 2.293 0 40 DEAB Cc1onc(C2CC2)c1C(=O)NC[C@@H](C)Cn1ccnc1C 565344224 NOYARTBEEIELIE-SNVBAGLBSA-N 302.378 2.431 0 40 DEAB Cc1ccc(CNC(=O)CN2CCc3sccc3C2)n1C 79042799 HZZFJPRNNOCGPO-UHFFFAOYSA-N 303.431 2.070 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N1CC2CCC1(CN)CC2 566480439 RMORTWCOZZKDBU-UHFFFAOYSA-N 312.410 2.026 0 40 DEAB O=C1Nc2c(cccc2OS(=O)(=O)O)Oc2ccccc21 77313130 YINRFPLPYWZUBP-UHFFFAOYSA-N 307.283 2.226 0 40 DEAB in-vitro Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CN)c(Cl)c1 44556501 SZYSJFSKOQGDCA-NSHDSACASA-N 302.827 2.150 0 40 DEAB NC[C@@H]1CCN(c2ccc(Oc3ccccc3)cc2)S1(=O)=O 222545159 IMBWCCNIBIKTRS-INIZCTEOSA-N 318.398 2.346 0 40 DEAB O=C(NCc1ccc(F)cn1)N1CCOC[C@H](C2CCC2)C1 575603092 NSYJETZBUTZKLW-CYBMUJFWSA-N 307.369 2.179 0 40 DEAB COc1ccccc1O[C@H](C)CNC(=O)[C@@H](C)n1ccnc1 81098903 QBZAEHACKFRWAP-CHWSQXEVSA-N 303.362 2.036 0 40 DEAB O=C(NCCCn1cccn1)C1(c2ccccc2)CCOCC1 41825966 GHDPAKQKURDNGI-UHFFFAOYSA-N 313.401 2.138 0 40 DEAB O=C(c1cc(O)nc(C2CC2)n1)N1CCc2ccsc2C1 575771843 PVDLPBJQNWMSGR-UHFFFAOYSA-N 301.371 2.320 0 40 DEAB CC(C)[C@@H](NC(=O)Nc1ccncn1)c1nc(C2CC2)no1 194094143 VLAUFUYOMYXXFT-LLVKDONJSA-N 302.338 2.256 0 40 DEAB CC(C)(C)n1cnc(C(=O)N2CCOc3c2ccc(F)c3F)n1 332045662 LQGYOYPSZSPOFA-UHFFFAOYSA-N 322.315 2.351 0 40 DEAB CCc1nnc2n1C[C@H](NC(=O)c1ccc3c(c1)CCC3)CC2 97199123 VNHGIKUWLCTHLC-OAHLLOKOSA-N 310.401 2.074 0 40 DEAB Cn1cc(NC[C@@H]2CCC[C@@H]3CN(c4cnccn4)C[C@@H]32)cn1 96249015 VQMHDHDFIMZCHQ-SQWLQELKSA-N 312.421 2.175 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@H](N2CCCC2)C[C@H]1C(=O)O 96069043 HEAYHPULLRCRMB-STQMWFEESA-N 322.430 2.210 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2c(C)nn3cccnc23)C1(C)C 96419321 PUQHWDWUZMOWKJ-CHWSQXEVSA-N 316.405 2.313 0 40 DEAB c1cnc(NCc2ncn3c2CN(Cc2ccco2)CCC3)nc1 96259419 SEHGIGGFPDEDOU-UHFFFAOYSA-N 324.388 2.284 0 40 DEAB CC1CCC(O)(CN2CCCN(C3CCOCC3)CC2)CC1 96483158 MQCWAGXZZKBRQV-UHFFFAOYSA-N 310.482 2.114 0 40 DEAB Cn1nc(CNC(=O)c2ccc(Cl)cc2)c2c1CCOC2 96103972 RGLAJNFCJOCAQB-UHFFFAOYSA-N 305.765 2.076 0 40 DEAB CCC(=O)N1CCN(Cc2cc(C(=O)OC)ccc2Cl)CC1 97237257 PCJOJIKFJSCYNG-UHFFFAOYSA-N 324.808 2.181 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)CCc2ccccc2F)[C@H]1O 257288862 PWAAQDNEGRDRGT-BFYDXBDKSA-N 309.381 2.193 0 40 DEAB CC(=O)N1[C@@H]2CN(C(=O)c3cccnc3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257306021 SSNJMQAFQSCVNG-UIBIWLFHSA-N 313.401 2.086 0 40 DEAB Cc1nccc([C@@H]2CN(C(=O)Cc3ccccc3F)CCO2)n1 257201571 AIEVANBUZCJPPO-INIZCTEOSA-N 315.348 2.067 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257254315 KCNZROQZOIGXFY-LBPRGKRZSA-N 313.405 2.435 0 40 DEAB O=C(Nc1ccccc1N1CCCC1=O)N[C@@H]1CCCC[C@@H]1O 264010951 BJXNDCOBYAMJNB-HIFRSBDPSA-N 317.389 2.238 0 40 DEAB COc1cccc([C@@H](C)C(=O)Nc2nnc(C3CC3)n2C)c1 585113339 QRUFDWSBCZOZGQ-SNVBAGLBSA-N 300.362 2.443 0 40 DEAB Cc1cccc(OC[C@]2(O)CCN(c3nc(C)cc(C)n3)C2)c1 585279208 XDTWHESDTASRBL-SFHVURJKSA-N 313.401 2.422 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cnc3[nH]nc(C)c3c2)c1 71869840 UQRFBKPZUMYOAM-AWEZNQCLSA-N 324.388 2.076 0 40 DEAB Brc1cnccc1O[C@H]1CCN(c2cnccn2)C1 1776009100 VESCDHQWWYDLEM-JTQLQIEISA-N 321.178 2.292 0 40 DEAB O=C(NCCOC(=O)c1cccc(Cl)c1F)c1cccnc1 89768063 RRMBYBWTSGMSDE-UHFFFAOYSA-N 322.723 2.461 0 40 DEAB C[C@@H](NC(=O)NCCCc1ccccc1Cl)c1nncn1C 95393136 TUEZGIGRGQNACU-LLVKDONJSA-N 321.812 2.462 0 40 DEAB CN(Cc1ccsc1)C(=O)CN1CCC(c2cn[nH]c2)CC1 97203597 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Cn1cc(S(=O)(=O)NC2(c3cccs3)CCCC2)cn1 390827995 NCKCZNUTVQMWSD-UHFFFAOYSA-N 311.432 2.229 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)nc1 1889085909 OSPWXMUGHZYJFE-OAHLLOKOSA-N 312.421 2.297 0 40 DEAB O=C(COc1cccc(Br)c1)NC[C@@H]1CCCO1 1473207 OPTAGAJDUMXHHL-LBPRGKRZSA-N 314.179 2.123 0 40 DEAB Cn1c(N2CCC[C@H](NC(=O)C(C)(C)C)C2)nc2cccnc21 2298179356 FDGOFQTUPKXNAF-LBPRGKRZSA-N 315.421 2.099 0 40 DEAB O=C(CCCC(=O)N1CC(Nc2cnccn2)C1)c1ccccc1 675008122 BGPGGXMYHJFSBM-UHFFFAOYSA-N 324.384 2.153 0 40 DEAB Cc1ccn2cc(CSC(=S)N3CCOCC3)nc2c1 564738 IRBZKURIQGHQEC-UHFFFAOYSA-N 307.444 2.493 0 40 DEAB CC(C)OCc1ccccc1CNS(=O)(=O)N(C)C(C)C 40105688 PAZYNJBHBKONPU-UHFFFAOYSA-N 314.451 2.286 0 40 DEAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cc[n+]([O-])cc2)cc1 30651949 LWDAYJYOUZXMJF-CZIZESTLSA-N 319.364 2.219 0 40 DEAB C[C@H]1CN(C(=O)COCc2nc3ccccc3s2)C[C@H](C)O1 40464628 MEDTUOYTILZQQX-RYUDHWBXSA-N 320.414 2.449 0 40 DEAB CCOc1ccc(C(=O)N[C@H](C)Cn2cccn2)cc1OC 31389971 WTJJIMKWTMERMI-GFCCVEGCSA-N 303.362 2.109 0 40 DEAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)N1CCc2ccccc21 51316379 LGMXZYOAZVDIFK-UHFFFAOYSA-N 322.364 2.310 0 40 DEAB CCn1ncc(CN(C)C(=O)Cn2cc(Cl)c(C)n2)c1C 2777611 WCGVMYBXZQSCFH-UHFFFAOYSA-N 309.801 2.028 0 40 DEAB Cc1ccc([C@@H](O)c2nnc([C@H](O)c3ccc(C)cc3)nn2)cc1 1716021 YRTDNQDWZVODPH-HZPDHXFCSA-N 322.368 2.047 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)[C@@H]3CC=CCC3)CCO2)n1 78889129 IKTZVLDMLZNXRZ-OLZOCXBDSA-N 304.394 2.184 0 40 DEAB O=C(CN1CC[C@@H](Oc2cccnc2)C1)NCC1CCCCC1 79111179 LHWVQUHGMCCKFX-QGZVFWFLSA-N 317.433 2.231 0 40 DEAB COc1cc(CCC(=O)Nc2nnc(CC(C)C)s2)on1 79490813 GYSOASXHLXYWKD-UHFFFAOYSA-N 310.379 2.305 0 40 DEAB Cc1cc(C(=O)N2CCC(CC(N)=O)CC2)c2ccccc2n1 53888844 FANNHZWFDRSDIF-UHFFFAOYSA-N 311.385 2.271 0 40 DEAB COc1ccc2c(c1)C(CCN(C)C)(CCN(C)C)C(=O)CC2 4802815 YLUAURNNEJLWPR-UHFFFAOYSA-N 318.461 2.352 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccsc1C(=O)O 37370963 GFTJFVJVDXRQCG-RKDXNWHRSA-N 303.405 2.398 0 40 DEAB in-vitro CC(C)Oc1ccccc1CNC(=O)NCCn1ccnc1 57219516 QMCDGZROLMCUQH-UHFFFAOYSA-N 302.378 2.170 0 40 DEAB CCNC(=O)N1CCC(NCc2ccc(C)c(OC)c2)CC1 95462796 PMHBJECIUBPCRQ-UHFFFAOYSA-N 305.422 2.287 0 40 DEAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCOCC1 27474414 FLJXXRDPDWZBRZ-UHFFFAOYSA-N 316.357 2.343 0 40 DEAB Cc1noc(NC(=O)CSc2nc(C)c(C)n2C2CC2)n1 58162609 VZQKOZDYLAOXAC-UHFFFAOYSA-N 307.379 2.257 0 40 DEAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N(C)C 58229065 NIEFUFWXJRRKGH-SECBINFHSA-N 321.764 2.202 0 40 DEAB O=C(NCCc1cccnc1)[C@H]1CCCN(c2ccccn2)C1 58355360 UAUNFRHWKBJLPI-INIZCTEOSA-N 310.401 2.052 0 40 DEAB CCN(CC)C(=O)CNC(=O)Cc1ccc(-n2cccc2)cc1 58434583 UXPCJUDYCHXWOE-UHFFFAOYSA-N 313.401 2.004 0 40 DEAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 10892928 NMOZJZOVONFGQU-UHFFFAOYSA-N 306.343 2.016 0 40 DEAB CC(C)NC(=O)CCNC(=O)N1CCc2sccc2[C@@H]1C 45575501 DOXSZNAOGDYGHG-NSHDSACASA-N 309.435 2.292 0 40 DEAB Cn1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cc(Cl)c1Cl 36974530 VMDJIYXNRQVRIT-SSDOTTSWSA-N 305.161 2.269 0 40 DEAB CC(C)COC(=O)N1CCCN(C(=O)CC(F)(F)F)CC1 60345115 KIJADAREWARGOZ-UHFFFAOYSA-N 310.316 2.266 0 40 DEAB Cn1nc(C(=O)OCc2ccccc2F)c2ccccc2c1=O 3360574 NXSDJFVSLOCDFT-UHFFFAOYSA-N 312.300 2.430 0 40 DEAB O=C1COc2ccc(C(=O)N[C@@H]3CCOc4ccccc43)cc2N1 12899232 ZSORMMDSNWVAIU-CYBMUJFWSA-N 324.336 2.271 0 40 DEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)N[C@@H](CC(C)C)C1=O 3452723 OOQDHNCGIRFOKX-ZDUSSCGKSA-N 321.352 2.039 0 40 DEAB CCOCC(=O)Nc1ccc(N(CC)C(=O)COCC)cc1 72287320 KJJFAXAGVNQYDC-UHFFFAOYSA-N 308.378 2.051 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1 4089621 BXFWZVGFFUOJQF-GUTXKFCHSA-N 304.390 2.370 0 40 DEAB biogenic O=C1COc2ccc(C(=O)NCCc3ccccc3F)cc2N1 14015376 DYFLGYXPBBHHGL-UHFFFAOYSA-N 314.316 2.129 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)Nc1ccc(OC)cc1OC 5350556 UYDBVLJRXUBUQA-CYBMUJFWSA-N 324.377 2.413 0 40 DEAB O=C(NCc1cccnc1)c1[nH]nnc1Nc1ccccc1F 67283836 FNEAHXQUEHEJMI-UHFFFAOYSA-N 312.308 2.012 0 40 DEAB CN1CC[C@H](NC(=O)[C@@H]2CCCO2)[C@@H]1c1ccc(Cl)cc1 90002104 VVSJTYSUTRDFRD-KKUMJFAQSA-N 308.809 2.380 0 40 DEAB C[C@@H](NCC1(Sc2ccccc2)CCCC1)C(=O)NC(N)=O 68951668 PVECQKMXFWBOCP-GFCCVEGCSA-N 321.446 2.265 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12 8100207 MXJZHRIYRLOXCQ-RISCZKNCSA-N 300.358 2.026 0 40 DEAB CC(C)NC(=O)[C@H](C)N1CCN(Cc2cccc(Cl)c2)CC1 22130809 OMZNUMWVHKYGTM-AWEZNQCLSA-N 323.868 2.371 0 40 DEAB O=C(CN(CCO)Cc1ccsc1)N1CCc2ccccc21 69530478 MDJYULHNWNLFEK-UHFFFAOYSA-N 316.426 2.132 0 40 DEAB COc1cccc([C@H](C)N2CCN(C(=O)NC(C)C)CC2)c1 69653905 WFNDUXDPJDLMHH-AWEZNQCLSA-N 305.422 2.492 0 40 DEAB COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1-n1nnnc1C 69633061 VVBNTUZYNUSWAM-LBPRGKRZSA-N 313.361 2.274 0 40 DEAB Cc1ccn2cc(C(=O)N3CCn4c(nnc4C(C)C)C3)nc2c1 69841016 LZQADRPRUWBCKM-UHFFFAOYSA-N 324.388 2.014 0 40 DEAB NC(=O)C1(C(=O)NCC2(c3cccs3)CCCCC2)CC1 95399750 PPJULJWLNXYSIO-UHFFFAOYSA-N 306.431 2.332 0 40 DEAB Cc1cc(C)n(C2CN(CC(=O)Nc3nc(C)c(C)s3)C2)n1 69929169 JVRIIRPCHGAOAL-UHFFFAOYSA-N 319.434 2.069 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCN(C(C)C)C2)cc1 69923752 SZUBPEUBIWNOMV-FSNWXROXSA-N 316.401 2.085 0 40 DEAB O=C(/C=C/c1ccco1)NCC[S@](=O)Cc1ccccc1 71893423 OUTZTXVHRQPYHN-MHNQQFQPSA-N 303.383 2.358 0 40 DEAB C[S@@](=O)c1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1 83990349 WFSDGYMYLSYCCG-FPTDNZKUSA-N 321.446 2.126 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](Nc3ccccc3)C2)no1 84117219 CXFSXJUKKKMSAV-HIFRSBDPSA-N 314.389 2.496 0 40 DEAB NC(=O)c1cn(-c2cnc3cc(Cl)c(Cl)cc3n2)cn1 97082486 CORNOAJNXVCAJY-UHFFFAOYSA-N 308.128 2.221 0 40 DEAB Cc1nc(CN(C)C(=O)Nc2ccc(C(C)(C)C)nn2)no1 97080893 ZYRKDBWYTMXKQT-UHFFFAOYSA-N 304.354 2.129 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)N(C)CC1(O)CCCC1 95978056 JGMAJWABNSVEPO-UHFFFAOYSA-N 301.383 2.060 0 40 DEAB Cc1ccccc1[C@@H](NCC(=O)N1CCNC1=O)C(C)(C)C 95985506 RXVPCNLDMLTRIY-OAHLLOKOSA-N 303.406 2.224 0 40 DEAB NC(=O)N1CCC(Nc2cc(F)cc(N3CCCC3)c2)CC1 95983061 UXCJWXOOTUILBE-UHFFFAOYSA-N 306.385 2.381 0 40 DEAB Cc1nc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)c[nH]1 74829334 VVTASWOKHKCXRX-MRXNPFEDSA-N 312.417 2.455 0 40 DEAB CC1(C)CN(C(=O)C[C@@H]2OCCc3ccccc32)CC[S@@]1=O 89919608 UDIFAUHOORHEFB-OYHNWAKOSA-N 321.442 2.060 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCCCNC1=O 175630773 QALSPBLROFQMFM-YNEHKIRRSA-N 313.467 2.019 0 40 DEAB CCNS(=O)(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 74975980 JYQZVVMYMQLBEZ-ZCFIWIBFSA-N 317.358 2.057 0 40 DEAB Cc1cc(S(=O)(=O)NCC(C)C)cc2c1N(C)C(=O)C2(C)C 71195975 LSGHQOAPWQRKFW-UHFFFAOYSA-N 324.446 2.183 0 40 DEAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@@H](C(=O)O)C1 36365019 OLTRUIKCGXZLPD-LLVKDONJSA-N 319.386 2.179 0 40 DEAB C[C@H](ONC(=O)C1CCCC1)C(=O)NCc1ccccc1F 79350772 HPMTUORUUWSHPE-NSHDSACASA-N 308.353 2.068 0 40 DEAB CC[C@H]1CN(CCNCc2cccc(-n3cccn3)c2)CCO1 562921977 QUHXLDCTGLKDPM-SFHVURJKSA-N 314.433 2.073 0 40 DEAB Cc1noc([C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n1 41122718 SMDDQJHRXDTMKN-ZDUSSCGKSA-N 307.375 2.294 0 40 DEAB C[C@H](C[S@](C)=O)N(C)C(=O)c1cc(F)cc2cccnc12 135629377 BRSWXLORTWORQW-LADRHHBVSA-N 308.378 2.213 0 40 DEAB Cc1cc(N)cc(Br)c1N1CCC[C@@H](C(N)=O)C1 226755564 DSZREBUHXWSJQD-SECBINFHSA-N 312.211 2.041 0 40 DEAB Cc1nc(C)c(C(=O)Nc2cnc(N3CCCC3)nc2)s1 224247816 ASYPUCSNNMIWHB-UHFFFAOYSA-N 303.391 2.402 0 40 DEAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1cccnc1 81667344 SPVKQDSDZKBWJR-UHFFFAOYSA-N 317.433 2.094 0 40 DEAB CC(=O)Nc1cnn(CC(=O)N[C@@H](c2ccccc2)C2CC2)c1 573459053 PQBREZHWGXXNRI-KRWDZBQOSA-N 312.373 2.109 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)Cc1ccc(-n2cccn2)cc1 80379491 GVQSDMLIDGAWLD-UHFFFAOYSA-N 322.368 2.061 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 222993903 URZOFGASSGBFMC-ZIAGYGMSSA-N 302.403 2.029 0 40 DEAB CN(C)[C@@H]1CCN(Cc2cccs2)[C@H]1Cc1cnn(C)c1 96200885 LZICWNCVTHIPSB-CVEARBPZSA-N 304.463 2.229 0 40 DEAB Cn1c(COC(=O)c2cscn2)nnc1-c1ccccc1 92717084 AEGDNNNEKCODPY-UHFFFAOYSA-N 300.343 2.296 0 40 DEAB CCO[C@H]1C[C@@H](N(C)C(=O)CCN2CCCC2=O)C12CCCC2 96419222 VHLNCZMWWYWDJT-CABCVRRESA-N 322.449 2.195 0 40 DEAB O=C(c1ccoc1)N1CCC[C@]2(C[C@@H](n3ccnc3)CO2)C1 96073904 BOHSFIKAHTYUKJ-ZBFHGGJFSA-N 301.346 2.113 0 40 DEAB CO[C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1Cc1ccccc1 96110195 MWBAHCHOCGGUFX-GOEBONIOSA-N 300.358 2.394 0 40 DEAB Cc1cccc(C(=O)N2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)n1 96220012 YYCUDMLDVXDLPF-YJBOKZPZSA-N 316.401 2.190 0 40 DEAB CCOC(=O)c1[nH]ncc1CN1CCN(CCC(C)(C)C)CC1 92219394 LTCHLIABCLLNFL-UHFFFAOYSA-N 322.453 2.140 0 40 DEAB CCN1CCn2c(C)cnc2C12CCN(C(=O)CC(C)C)CC2 96145017 JJGQONZIXTWPNI-UHFFFAOYSA-N 318.465 2.391 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@H]1CCOc2ccccc21 245305041 HTGBTFRTSVXSDE-UKPHBRMFSA-N 323.458 2.498 0 40 DEAB CCCn1cc(CNCc2cc(C(F)(F)F)n(C)n2)cn1 256051439 JDZDCJBSKWPCHR-UHFFFAOYSA-N 301.316 2.335 0 40 DEAB Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)s1 257318233 VNAVWSSPBHVPQR-IIAWOOMASA-N 319.430 2.066 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cnc(O)c(Cl)c3)C2)n1 257219872 DIOKRNKGQNOUIS-SECBINFHSA-N 306.753 2.102 0 40 DEAB Cn1cncc1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585274952 SCXDKHGYHYKNHR-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(C(=O)C4(F)CC4)C3)CC2=O)cc1 585101595 WRSYQAGVFCPHQE-QGZVFWFLSA-N 316.376 2.453 0 40 DEAB CO[C@@H]1CCN(C(=O)CC2(O)CCC2)C[C@H]1Cc1ccccc1 585113424 DZUPRZZEKZDWSO-IAGOWNOFSA-N 317.429 2.398 0 40 DEAB Cc1cc(OC[C@@H]2CCCN(Cc3nnc(C)n3C)C2)ccn1 1776000588 YZZXOSRAHSQVQF-OAHLLOKOSA-N 315.421 2.118 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@@H](N(C)C)[C@H](C)C1 78895611 DOOLRUOYGMIHBE-CXAGYDPISA-N 320.481 2.107 0 40 DEAB O=C(N1CCC[C@@H]1Cn1nccn1)C1(c2ccc(F)cc2)CC1 670910383 CTXPJULFDQTFFL-OAHLLOKOSA-N 314.364 2.140 0 40 DEAB CC[C@](C)(NCc1c(F)cccc1Br)C(N)=O 93199726 MAIVSISGXQMKPG-LBPRGKRZSA-N 303.175 2.332 0 40 DEAB Nc1oc2ccccc2c(=O)c1C(=O)NCCc1ccccc1 5031551 QYBCYBUVEICNIG-UHFFFAOYSA-N 308.337 2.348 0 40 DEAB Cc1cn(CC(=O)NCC2(c3cccc(F)c3)CCCC2)nn1 19238782 FACIYASQKDBVBV-UHFFFAOYSA-N 316.380 2.354 0 40 DEAB C[C@@H]1CCCN(c2ncccc2C(=O)NC[C@@H]2CCCO2)C1 19496613 UCQDWFSYDNKNLB-KGLIPLIRSA-N 303.406 2.227 0 40 DEAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(O)c1 4369605 RDSBWPBXRVQTIY-AWEZNQCLSA-N 314.345 2.226 0 40 DEAB CC(C)c1nc2ccccc2n1C1CN([C@@H]2CCCNC2=O)C1 1888843803 XWPZVCVZNXSLGH-MRXNPFEDSA-N 312.417 2.295 0 40 DEAB Cc1c[nH]nc1C[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 1848441992 CLVGYFBAVNKZQN-AWEZNQCLSA-N 314.437 2.029 0 40 DEAB Cc1cnn(CC2CN(C(=O)Cc3ccc(F)cc3F)C2)c1 1848601278 QABCCRHPPNSBGT-UHFFFAOYSA-N 305.328 2.171 0 40 DEAB O=c1c2ccsc2ncn1C[C@@H](O)COCc1ccccc1 25062596 PCJRNZRYPRMOGN-CYBMUJFWSA-N 316.382 2.036 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2CN(C(=O)C3(F)CCC3)C[C@@H]2C1 1565554557 AFEBBKGVQQAHRH-TXEJJXNPSA-N 322.405 2.171 0 40 DEAB COc1cc(C(=O)NCc2cccnc2)cc(OC)c1OC 30225 BKONUKOICQMWFW-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB C[C@H](C(=O)N[C@@H](c1cccnc1)C1CCOCC1)n1cccn1 225622849 QVTIVUOXQGFUOS-CZUORRHYSA-N 314.389 2.123 0 40 DEAB COCCN(C)CCCNC(=O)CCCOCc1ccccc1 50576513 ICUGPUBRHBXCJI-UHFFFAOYSA-N 322.449 2.068 0 40 DEAB COc1ccc(-c2nc(CC(=O)N(C)C)cs2)cc1OC 40476496 MWUZCBWITQTPDS-UHFFFAOYSA-N 306.387 2.458 0 40 DEAB COc1cccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)c1 40522723 WKEMEUWYBLKYMY-LBPRGKRZSA-N 314.389 2.043 0 40 DEAB CCOc1ccc(OCC)c(S(=O)(=O)n2cnc(C)c2)c1 283141 SQKWAKKDKAATSL-UHFFFAOYSA-N 310.375 2.226 0 40 DEAB CCOc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1Cl 101347684 VEWQWAFTPRMBQC-LLVKDONJSA-N 320.736 2.314 0 40 DEAB CC(C)c1noc(CN2CCC[C@H]2C(=O)NCc2ccco2)n1 32804095 HPMULAUACZYHDU-ZDUSSCGKSA-N 318.377 2.067 0 40 DEAB Cc1cc(NC(=O)CCN2CCN(c3ccccc3)CC2)no1 93950 DSVNNXOPRHVUHT-UHFFFAOYSA-N 314.389 2.134 0 40 DEAB O=C(c1ccc(CSc2ncccn2)cc1)N1CCOCC1 115812 ASMLECMPUNUNIN-UHFFFAOYSA-N 315.398 2.241 0 40 DEAB COc1cc(NC(=O)C[C@H]2CCCO2)ccc1N1CCCC1=O 60500391 CTCJBNQYFNGWPS-CYBMUJFWSA-N 318.373 2.330 0 40 DEAB CCCn1nnnc1NC(=O)c1ccccc1Br 569453 SQJZOUITHKFLDQ-UHFFFAOYSA-N 310.155 2.098 0 40 DEAB NC(=O)COc1cccc(-c2nc(-c3ccc(F)cc3)no2)c1 69600447 QRKYRNSANDWNOO-UHFFFAOYSA-N 313.288 2.407 0 40 DEAB C[C@@H]1CCCCN1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 76088622 GMOMYLQIBPGSJA-CYBMUJFWSA-N 324.446 2.217 0 40 DEAB CCCCCOc1ccccc1/C=c1\sc2ncnn2c1=O 33363126 SFUKNSYLMPWUKV-UVTDQMKNSA-N 315.398 2.268 0 40 DEAB O=C(c1csnn1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 41619254 SDTGLRINQWGIRJ-LBPRGKRZSA-N 317.370 2.287 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@@H]2CCC[C@H]21 53382193 ZPOGLGHGXINCNR-ZIAGYGMSSA-N 303.358 2.128 0 40 DEAB COc1ccc(OC)c(CCNC(=O)CC[C@@H]2CCCO2)c1 53348313 HWPCDTMZYRSDMF-AWEZNQCLSA-N 307.390 2.322 0 40 DEAB O=C(NCc1ccc(N2CCCC2)nc1)Nc1nccs1 43160627 NUCSTTRRHRIOLS-UHFFFAOYSA-N 303.391 2.460 0 40 DEAB CCCc1cc(=O)[nH]c(Nc2ccc(N3CCOCC3)cc2)n1 1281459 RWMIFEUFVCETSH-UHFFFAOYSA-N 314.389 2.303 0 40 DEAB C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1F 47663153 VMMLFXPVBIOVKK-LLVKDONJSA-N 313.394 2.437 0 40 DEAB COc1cccc2c1N(CC(=O)Nc1cc(C)no1)CCC2 26339167 FZOSSCZJEHAIDP-UHFFFAOYSA-N 301.346 2.383 0 40 DEAB Cc1cccc(-c2[nH]ncc2CN[C@@H]2CCc3nc(C)nn3C2)c1 69772995 KJYOIIKXSWCENW-MRXNPFEDSA-N 322.416 2.390 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 26781659 VRBMFTHOXXVRCP-JKIFEVAISA-N 320.433 2.363 0 40 DEAB CCOC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 21736355 GYNOAEHBJBAJAE-UHFFFAOYSA-N 323.370 2.243 0 40 DEAB Cc1ccc(-c2csc3nc(CC(N)=O)[nH]c(=O)c23)s1 44896511 MUIGJYNEYQJXAW-UHFFFAOYSA-N 305.384 2.049 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(=O)OC12CCCCC2 57355681 HALYUOQXYUFDGL-LBPRGKRZSA-N 305.378 2.241 0 40 DEAB C[C@H](Sc1nc(O)c2cc(F)ccc2n1)C(=O)NC1CC1 58280380 OXADGWPPPVDVKJ-ZETCQYMHSA-N 307.350 2.234 0 40 DEAB CC(C)C(=O)NC[C@@H](c1ccc(Cl)cc1)N1CCN(C)CC1 27793222 QNOXLYMWNFTRFS-INIZCTEOSA-N 323.868 2.401 0 40 DEAB Cc1noc([C@@H](C)NC(=O)COCc2ccccc2Cl)n1 58344018 YZULMOSOLBCVPP-SECBINFHSA-N 309.753 2.425 0 40 DEAB COc1c(CNC[C@H](c2cccc(F)c2)N(C)C)c(C)nn1C 58391214 PBCADCJUUHGEBN-MRXNPFEDSA-N 320.412 2.269 0 40 DEAB COc1ccc(OC)c(NC(=O)COC(=O)c2ccccc2)c1 3398645 QLMGSDRJVLXKHT-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1cc(NC(=O)CSc2nnc(NC(C)C)s2)no1 3383226 CBUKGSLGNDJPHE-UHFFFAOYSA-N 313.408 2.386 0 40 DEAB Cc1ccc(CC(=O)N2CCC(Nc3cccnn3)CC2)s1 69875091 XDVYNBNLLYIPPQ-UHFFFAOYSA-N 316.430 2.492 0 40 DEAB C[C@@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NCc1ccccc1 69930544 NJAZPCQZMKQSAY-LLVKDONJSA-N 311.341 2.238 0 40 DEAB CCCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12 13115597 SLTJVFXKOMINPC-UHFFFAOYSA-N 300.318 2.146 0 40 DEAB Cc1cc(C)c(/C=C/C(=O)N2CCCN(C(N)=O)CC2)cc1C 69970899 AGPSHAHEBXXKPP-AATRIKPKSA-N 315.417 2.238 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)c1cccs1)c1ccsc1 8895951 WVVJWFOGGXBGKD-LLVKDONJSA-N 316.473 2.391 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)Cc1cccc2c1OCCO2 64356832 KMWSPXIQODTSGZ-UHFFFAOYSA-N 323.370 2.178 0 40 DEAB COc1ccc(OC)c(C(=O)COC(=O)c2cccn2C)c1 5085912 PAWISXJQJWONEZ-UHFFFAOYSA-N 303.314 2.082 0 40 DEAB CC(C)c1ccc(CCC(=O)NCCN2CCOCC2)cc1 23227781 VVAYFWVQKSSYOK-UHFFFAOYSA-N 304.434 2.191 0 40 DEAB COc1cccc(OC)c1OC[C@@H](C)CNC[C@H]1CCCO1 4337774 ZFYZNUCKNAWSDJ-UONOGXRCSA-N 309.406 2.487 0 40 DEAB CC(C)[C@H](NC(=O)NCc1nnc2n1CCC2)c1cccs1 65400954 NQFCCHVCVVDESJ-AWEZNQCLSA-N 319.434 2.482 0 40 DEAB CCc1nnc(NC(=O)[C@H]2Cc3ccc(C)cc3C(=O)O2)s1 8971298 AYHZHOVAIQJGLO-LLVKDONJSA-N 317.370 2.129 0 40 DEAB O=C(Cc1csc(-c2ccco2)n1)N[C@H]1CCN2CCC[C@H]12 65606490 IDHADDFJKXMWJK-QWHCGFSZSA-N 317.414 2.299 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 14829108 FBMHOUATUPCUAF-BXUZGUMPSA-N 308.403 2.066 0 40 DEAB Cc1noc(C)c1C(=O)NCc1ccccc1Cn1cccn1 14903457 FFUBFMKLSWYKQK-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB O=S(=O)(N[C@H]1CCCNC1)c1cccc(Cl)c1Cl 71397497 OZNGUYQYWKBZLX-QMMMGPOBSA-N 309.218 2.024 0 40 DEAB CC(C)n1nnnc1-c1ccccc1NC(=O)[C@@H]1OCC[C@H]1C 96010234 JAGWIINVUAAYHS-BXUZGUMPSA-N 315.377 2.285 0 40 DEAB CCC(=O)NC[C@@H](c1cccnc1)S(=O)(=O)c1cccs1 8021782 WFXNKDGMBHQFGF-LBPRGKRZSA-N 324.427 2.184 0 40 DEAB CCOc1cc2c(cc1CNC(=O)c1cnn(C)c1)O[C@H](C)C2 8273696 CHNASWUTKKXALM-LLVKDONJSA-N 315.373 2.072 0 40 DEAB Cc1ncsc1CNC(=O)NCCN(C)c1ccccc1 69583658 JCBBDSZERPSGSX-UHFFFAOYSA-N 304.419 2.387 0 40 DEAB COCCn1ccc(NC(=O)c2cc(-c3cccs3)on2)n1 69528232 PXKSAHIIGQLZDW-UHFFFAOYSA-N 318.358 2.498 0 40 DEAB CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2nncs2)C12CCCC2 96419690 ZDJNVXYQISRQQR-NEPJUHHUSA-N 324.450 2.146 0 40 DEAB O=C(Cc1cccc2cccnc12)N1CCN(CC2CC2)CC1 71821588 VEJHLBNSIVBJSR-UHFFFAOYSA-N 309.413 2.332 0 40 DEAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCC(N2CCCCC2)CC1 83888554 IIXUUNOIYHJLBG-NVXWUHKLSA-N 324.465 2.047 0 40 DEAB Cc1occc1-c1nnc(NCc2cc(C(N)=O)cs2)o1 97375696 NEMVULNMENCHCK-UHFFFAOYSA-N 304.331 2.411 0 40 DEAB O=C1CCN(Cc2c(Cl)cccc2N2CCCC2)CCN1 97033925 GBMZMDVPTSIJRF-UHFFFAOYSA-N 307.825 2.262 0 40 DEAB O=c1c2ccc(Br)cc2ncn1CCn1cccn1 72283280 KNFWBRBIAAMZBA-UHFFFAOYSA-N 319.162 2.056 0 40 DEAB CCOc1ccc2c(c1)C=C(C(=O)N[C@H](C)c1cn[nH]c1)CO2 95441532 MQJXTTXAFQJZNY-LLVKDONJSA-N 313.357 2.462 0 40 DEAB C1=C(CN[C@H]2CCO[C@]3(CCOC3)C2)COc2ccccc21 95457752 FBOHUFGLSNFYDY-FUHWJXTLSA-N 301.386 2.390 0 40 DEAB CC(C)CCn1cc(C(=O)O)c(I)n1 408717504 DGIDNNVESLQEPV-UHFFFAOYSA-N 308.119 2.232 0 40 DEAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(C(N)=O)c1 9908671 BXBLVZXTXPKDEF-UHFFFAOYSA-N 322.368 2.336 0 40 DEAB COC[C@H](O)CN(C)C(=O)Nc1ccccc1SC(F)F 75572767 AIUMHAJOINFNPB-SECBINFHSA-N 320.361 2.472 0 40 DEAB O=C(Cc1ccccc1O)NCc1cnn(Cc2ccccc2)c1 75581922 SCSCMBCKWLIEPZ-UHFFFAOYSA-N 321.380 2.496 0 40 DEAB O=C1Nc2ccccc2CC[C@@H]1S(=O)(=O)c1ccccc1 20714923 RVWJOCIEUVILSU-HNNXBMFYSA-N 301.367 2.414 0 40 DEAB CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@@H]2C[C@H]2C1 408493726 CHEBKORZRZOVPL-MCIONIFRSA-N 307.415 2.490 0 40 DEAB O=C1c2cccn2[C@H]2CN(Cc3ccco3)C[C@@H]2N1CC1CC1 306143302 XYCHJJSUQSZNND-IRXDYDNUSA-N 311.385 2.372 0 40 DEAB COc1ccc2c(c1)CC(CCC(=O)O)(CCC(=O)O)C2=O 3851975 DEBCNQBIEXFKAI-UHFFFAOYSA-N 306.314 2.150 0 40 DEAB biogenic Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)c1ccccc1 72242718 JYVFCEOFSWJYOA-OAHLLOKOSA-N 303.387 2.141 0 40 DEAB Cc1cc(-c2ccc(=O)n(CCNC(=O)C3CCC3)n2)c(C)o1 72342421 URQLTWCNVZPULR-UHFFFAOYSA-N 315.373 2.036 0 40 DEAB NCc1nnc2ccc(-c3cccc(Br)c3)nn12 217554345 DMRGBFCBOBNQNH-UHFFFAOYSA-N 304.151 2.013 0 40 DEAB CC(=O)N1CCC(c2csc(Nc3cnccn3)n2)CC1 72363482 BGASLXIPPIJCCN-UHFFFAOYSA-N 303.391 2.403 0 40 DEAB CC(C)(C)OC(=O)NCc1nc(-c2ccc3c(c2)OCO3)no1 70458695 OMWSXVKUOQTTBQ-UHFFFAOYSA-N 319.317 2.490 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)Nc2cc(OC)ncn2)C12CCCC2 182209622 WNYIGASQYSAGMC-RYUDHWBXSA-N 320.393 2.345 0 40 DEAB c1ccc2[nH]c(CCNc3cc(N4CCOCC4)ncn3)cc2c1 225482115 FKBGOICNONBJCU-UHFFFAOYSA-N 323.400 2.449 0 40 DEAB CC[C@H](C)CC(=O)NS(=O)(=O)c1cnn(-c2ccccc2)c1 192221399 VYCPQRQHKGBPSK-LBPRGKRZSA-N 321.402 2.113 0 40 DEAB CN(CCCOCc1ccccc1)c1ncnc2c1cnn2C 225580168 LOMHLWFATRNTMU-UHFFFAOYSA-N 311.389 2.406 0 40 DEAB CS(=O)(=O)Nc1ccccc1C(=O)NCC1=CCCCC1 223927460 QQEUEDOSDMCSRM-UHFFFAOYSA-N 308.403 2.288 0 40 DEAB C[C@H](NC[C@@]1(N2CCOCC2)CCSC1)c1cccc(O)c1 194865954 XVKJJAWJYOWPII-YOEHRIQHSA-N 322.474 2.251 0 40 DEAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1ccc(F)cc1 224295420 QKBRFOICCZGCOR-UHFFFAOYSA-N 324.381 2.099 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)OC[C@H]2CCCc3ccccc32)C1 96404088 KMQSEUFDGPSOCG-HUUCEWRRSA-N 316.401 2.440 0 40 DEAB COc1cccc(NCc2nc([C@@H](N)c3ccccc3)n[nH]2)c1 95533425 GNEMZLFPDOVIHF-INIZCTEOSA-N 309.373 2.474 0 40 DEAB Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2C(=O)CC2CC2)cn1 96200273 DNTMFTCSCKMFOC-DLBZAZTESA-N 317.433 2.159 0 40 DEAB Cc1ccncc1Nc1nc(CN2C(=O)CCC2=O)cs1 96124539 KYULBSHJIYUZCN-UHFFFAOYSA-N 302.359 2.239 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccccc1F)C2 96039205 OWRWRIVWMQXCDG-FUHWJXTLSA-N 321.392 2.412 0 40 DEAB CC(C)n1nnc(-c2ccc(C(=O)NCc3ccco3)cc2)n1 96230910 USRIJJOTLDCROX-UHFFFAOYSA-N 311.345 2.444 0 40 DEAB c1ccc(CN2Cc3nccn3C[C@H](Cn3cccn3)C2)cc1 96188542 YJWJBWIVMIUHKG-QGZVFWFLSA-N 307.401 2.412 0 40 DEAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1cccc(F)c1F 97100940 HLXQGRAIDGUJAT-UHFFFAOYSA-N 319.373 2.250 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1ccoc1C 96439379 NUEHGFYTCAYHCC-JTQLQIEISA-N 304.394 2.369 0 40 DEAB CC[C@H](C(=O)N[C@H](C)c1ccccc1N1CCOCC1)N(C)C 95450485 HNCNIYNHULJZBC-GDBMZVCRSA-N 319.449 2.041 0 40 DEAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2cnn(C)c21 96060016 AHIMKSLXZCOBGY-OAHLLOKOSA-N 301.390 2.175 0 40 DEAB CN(CC(=O)O)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 242648370 QUSLUAJKBIGKCI-CABCVRRESA-N 320.389 2.240 0 40 DEAB O=C1CCCN1CC1CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 245343847 VZVGOQDSWKIXAR-QLPKVWCKSA-N 304.434 2.284 0 40 DEAB COC(=O)c1ncccc1NC(=O)Cc1noc2ccccc12 390835633 SXCFHWJIPOMKDO-UHFFFAOYSA-N 311.297 2.191 0 40 DEAB CO[C@H]1CCCN(C(=O)CCC(=O)O)[C@H]1Cc1ccccc1F 585273897 FSPGUUGKKZBTCF-GJZGRUSLSA-N 323.364 2.239 0 40 DEAB COCc1cc(=O)n(Cc2ccccc2F)c(N2CCCC2)n1 65307463 BCTCCGNWRWCUHI-UHFFFAOYSA-N 317.364 2.177 0 40 DEAB NC(=O)[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1C(F)(F)F 76068661 FGGHJQQWFDBCBX-WCBMZHEXSA-N 315.295 2.481 0 40 DEAB CS(=O)(=O)C1CCN(C(=O)c2ccc(Cl)s2)CC1 96098175 UWSFPFYLXHHMGH-UHFFFAOYSA-N 307.824 2.051 0 40 DEAB C[C@@]1(c2cccs2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 40477483 NHDCNZUANFYQGH-LRDDRELGSA-N 316.382 2.249 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1 40554122 OXDPSXPBZUJFHE-QMMMGPOBSA-N 314.363 2.083 0 40 DEAB O=C1NC(=S)N/C1=C/c1cccn1-c1ccc(Cl)cc1 1010901 ATVSMFNNQGWPQZ-XYOKQWHBSA-N 303.774 2.476 0 40 DEAB O=c1n(Cc2ccncc2)nc2c3ccccc3nc(C3CC3)n12 13267513 GZORODPYMNGVRE-UHFFFAOYSA-N 317.352 2.365 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)NCC(=O)NC(C)(C)C)o1 16235701 MHLCQFNDDUPLOL-FPUUUQIFSA-N 304.390 2.447 0 40 DEAB COCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1cc(C)no1 19121272 OKEURCXKKREIRL-CYBMUJFWSA-N 318.377 2.084 0 40 DEAB Cc1cc(-c2cnc(N3CCOCC3)nc2[C@H]2CCCO2)on1 19122647 VIDQOZHGADWRAO-CYBMUJFWSA-N 316.361 2.128 0 40 DEAB O=C(C1CCC1)N1CCC[C@H]1Cn1nnc(-c2cccs2)n1 19344968 XYGQLSKDGTXONW-LBPRGKRZSA-N 317.418 2.193 0 40 DEAB CC(C)c1cc(=O)[nH]c([C@@H]2CCCN2C(=O)c2ccccn2)n1 19452575 CILHMHZTAJNEEZ-AWEZNQCLSA-N 312.373 2.266 0 40 DEAB CC(C)Cc1ccccc1CNC(=O)N[C@@H]1CCC(=O)N(C)C1 527772691 MKSLGINRMLTPNE-MRXNPFEDSA-N 317.433 2.305 0 40 DEAB Cc1cnc(NC(=O)CCn2c(=O)oc3ccccc32)s1 10624579 FRPWWECAYKHXSE-UHFFFAOYSA-N 303.343 2.388 0 40 DEAB Cc1cc(C(=O)NCCc2ccc(-c3cnn(C)c3)cc2)no1 1889186931 JVQTYQQBCOYLPS-UHFFFAOYSA-N 310.357 2.356 0 40 DEAB COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1 5251199 HFDVXZIFVJAPOG-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB CN1CCN([C@H](CNC(=O)C(C)(C)C)c2ccsc2)CC1 22794253 PNEDWXXSSOXBIV-CQSZACIVSA-N 309.479 2.199 0 40 DEAB COC(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(OC)C3)cc1 575610737 OTKQETMJDPHNOO-KBPBESRZSA-N 303.358 2.255 0 40 DEAB Cc1ccnc(N2CCC[C@@H](C(=O)N3CCC(F)(F)CC3)C2)n1 2298183894 WIJGRSWAWOGOJA-CYBMUJFWSA-N 324.375 2.259 0 40 DEAB COc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1C 13971828 VAAYQUUVBGGLGN-UHFFFAOYSA-N 304.371 2.345 0 40 DEAB COC(=O)[C@@H](N)c1ccc(OCc2ccccc2)c(OC)c1 20149881 HSRJBASWCZZAMM-INIZCTEOSA-N 301.342 2.447 0 40 DEAB Cn1ccs/c1=N\C(=O)c1cccc(Nc2ncccn2)c1 30799938 SNMMWTBIRAUWKR-CYVLTUHYSA-N 311.370 2.361 0 40 DEAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(O)c1 40268012 YFMIAFMSZUNKGO-UHFFFAOYSA-N 304.733 2.301 0 40 DEAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCCO1 40534190 NYTXIFUKOCUELD-JKSUJKDBSA-N 305.374 2.040 0 40 DEAB CC(C)(C)c1nnc(COc2ccc(S(C)(=O)=O)cc2)o1 40505620 LRXROFYHDMRPAV-UHFFFAOYSA-N 310.375 2.350 0 40 DEAB CCN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1cc(C)ccc1C 52833875 CCXSTMZXSRVLAT-UHFFFAOYSA-N 311.389 2.300 0 40 DEAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 2775048 LMZGBHIJKAEMQK-GMTAPVOTSA-N 319.327 2.407 0 40 DEAB COC[C@H]1CN(C(=O)NC[C@@H](C)c2cccc(C)c2)CCO1 76088589 GUFHLYKYCVLXGX-GDBMZVCRSA-N 306.406 2.155 0 40 DEAB Cc1n[nH]c([C@H]2CN(C(=O)[C@H](C)c3cc(C)oc3C)CCO2)n1 76044868 JFILRJFQTBSRLL-QMTHXVAHSA-N 318.377 2.027 0 40 DEAB O=C(N[C@@H]1CCc2c(O)cccc21)c1ccc(N2CCCC2)nn1 78646459 YDBJDMYHUPYHQS-CQSZACIVSA-N 324.384 2.200 0 40 DEAB Nc1nccnc1C(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 78726989 IYOLXZJCDDOSIT-UHFFFAOYSA-N 308.345 2.455 0 40 DEAB O=C(OCCNc1ncnc2ccccc12)c1n[nH]c2c1CCC2 79053014 XFVIWTXNZUUUPB-UHFFFAOYSA-N 323.356 2.111 0 40 DEAB O=C(CN1CCO[C@H]2CCC[C@@H]21)NCCCOC1CCCCC1 79354327 BSZHVOSSHOFTOC-IRXDYDNUSA-N 324.465 2.095 0 40 DEAB CC(=O)Nc1ccc(OCc2cc(=O)n3ccsc3n2)cc1 3359946 VJIZEAUEWSIDNQ-UHFFFAOYSA-N 315.354 2.293 0 40 DEAB O=C(NCC(F)(F)F)N1CCC[C@H]1c1nnc2ccccn12 46915207 NZRXNKPEUMVSBT-VIFPVBQESA-N 313.283 2.138 0 40 DEAB COc1ccc(CN(C)Cc2ccn(C)c(=O)c2)c(OC)c1 42112938 VXGLEISPJHBINC-UHFFFAOYSA-N 302.374 2.035 0 40 DEAB CC(=O)c1ccc(NC2=CC(=O)N(Cc3ccco3)C2=O)cc1 12324408 WJVBJPMCHBBODW-UHFFFAOYSA-N 310.309 2.347 0 40 DEAB COC(=O)c1c(CN2CCN(C)CC2)nc2ccccc2c1C 22771500 YMDJJZTZSNORNA-UHFFFAOYSA-N 313.401 2.077 0 40 DEAB CCCN(CC1CC1)S(=O)(=O)c1ccc(NC(C)=O)cc1 47214694 MTRBIJANXSCJFK-UHFFFAOYSA-N 310.419 2.456 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)o1 23307237 KSWMGAFRRXZEHN-NSHDSACASA-N 322.386 2.451 0 40 DEAB COc1cccc(CSc2nc(C)c(CC(=O)O)c(=O)[nH]2)c1 26423600 LFZNRTVWUUJJHC-UHFFFAOYSA-N 320.370 2.006 0 40 DEAB CC(C)N1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1 25136240 UCDKKHOUKIKDBU-UHFFFAOYSA-N 315.417 2.201 0 40 DEAB Cc1c(C(=O)N[C@]2(C(=O)O)CCSC2)oc2ccccc12 43510446 TXXSHKPITMMBCZ-OAHLLOKOSA-N 305.355 2.431 0 40 DEAB C[C@@H]1CCC[C@@](CNC(=O)N[C@H](C)c2cnn(C)c2)(N(C)C)C1 107355911 XBJJHQDGFPXVLS-CKEIUWERSA-N 321.469 2.291 0 40 DEAB CON(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 1634796 ZAHRDPIWMGLOQJ-CYBMUJFWSA-N 308.378 2.142 0 40 DEAB NC(=O)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 26219873 NADRCCSQZUJZME-QGZVFWFLSA-N 309.369 2.452 0 40 DEAB C[C@H](NC(N)=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 108285982 ZZNSVLHHTHQGFH-XHDPSFHLSA-N 314.389 2.278 0 40 DEAB Cc1nc2ccccc2nc1Cn1cc(-c2nnco2)ccc1=O 58158579 DGUJQEAMXVNYKF-UHFFFAOYSA-N 319.324 2.198 0 40 DEAB Cc1cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)on1 58316147 ZYUQISXQDGOVHB-LLVKDONJSA-N 314.263 2.465 0 40 DEAB O=c1oc2ccccc2n1CCCn1nnc(-c2ccccc2)n1 58324792 NMUDMPQHGVSUBH-UHFFFAOYSA-N 321.340 2.338 0 40 DEAB Cc1nccn1-c1ccc(NC(=O)CCc2cnn(C)c2)cc1 28243867 VCXNLMZOKFWDCD-UHFFFAOYSA-N 309.373 2.486 0 40 DEAB O=C1CC[C@@H](C(=O)NCCCc2ccc(Cl)c(Cl)c2)N1 62245977 IXCZWAHYEXYKLX-LBPRGKRZSA-N 315.200 2.321 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CCn2cnc3sccc3c2=O)C1 13010391 VMMVCTMWTNRILA-RYUDHWBXSA-N 319.430 2.353 0 40 DEAB CC(=O)Nc1nc(CN2CCC(c3ccnn3C)CC2)cs1 65542050 JEODZAZXNSGCTQ-UHFFFAOYSA-N 319.434 2.215 0 40 DEAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 14186509 LYSZFMNRCMSJFC-MRVPVSSYSA-N 321.370 2.375 0 40 DEAB CCOc1ccccc1C(=O)NCCc1nnc2ccccn12 15554513 FFKXBTZSNBUPSG-UHFFFAOYSA-N 310.357 2.101 0 40 DEAB CCn1nnc2cc(C(=O)N3CC(=O)Nc4ccccc43)ccc21 15911752 GZXSKYHIAPERGN-UHFFFAOYSA-N 321.340 2.050 0 40 DEAB O=C(CNC(=O)c1ccc2ccccc2c1)NCc1ccco1 9454487 DLFFGSZSBALXOR-UHFFFAOYSA-N 308.337 2.479 0 40 DEAB CC(C)c1ccc(-c2nnn(CC(=O)NC(C)(C)C)n2)cc1 8225057 BHGLJXRQTGISES-UHFFFAOYSA-N 301.394 2.378 0 40 DEAB Cc1c(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)cnn1C 71797416 KLDBCYJKJJIHPU-HNNXBMFYSA-N 303.337 2.081 0 40 DEAB CS[C@@H](C)CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 96494046 APDJKWMFRIYMBF-ZFWWWQNUSA-N 308.447 2.391 0 40 DEAB C[C@H](c1cccc(F)c1)N1CCN(Cc2nccn2C)CC1 69508897 XZNADMYKMDLHOI-CQSZACIVSA-N 302.397 2.438 0 40 DEAB O=C(CCNC(=O)c1ccccc1)Nc1nc2ccccc2[nH]1 17303592 DZUHTJXGGXBWJK-UHFFFAOYSA-N 308.341 2.322 0 40 DEAB O=C1CC[C@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)N1 69741308 NETLKNREFGJNIG-CQSZACIVSA-N 320.352 2.243 0 40 DEAB NC1CCN(C(=O)c2cc(-c3ccccc3Cl)[nH]n2)CC1 70451521 RVTVWIVXRJNQHR-UHFFFAOYSA-N 304.781 2.293 0 40 DEAB COc1cccc(CCNC(=O)[C@H](C(C)C)N2CCCC2=O)c1 71849913 JVVUOULNQYNGAF-KRWDZBQOSA-N 318.417 2.001 0 40 DEAB Cc1c(C(=O)NCc2ccc(-n3ccnc3)nc2)cnn1C(C)C 92263553 JNQIUPJNTIKFPE-UHFFFAOYSA-N 324.388 2.283 0 40 DEAB COc1cccc2c1CCN(C(=O)NCCc1cscn1)C2 97083259 HOHAKGDJEBLXIL-UHFFFAOYSA-N 317.414 2.462 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)no1 72231906 CGFQGFUHVHBDHQ-HIFRSBDPSA-N 313.357 2.088 0 40 DEAB COCCC(C)(C)CNC(=O)Nc1cnc2[nH]nc(C)c2c1 97135500 FWDNXVDVRVMPTG-UHFFFAOYSA-N 305.382 2.451 0 40 DEAB Cc1cc(C)n2c(CN3CCN(C)C[C@@H]3C(C)C)cnc2n1 97139312 OTEAYWXFVYLSRG-MRXNPFEDSA-N 301.438 2.118 0 40 DEAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](O)Cc1ccccc1 95449428 XVUUFQKXGRRGIH-WBMJQRKESA-N 315.417 2.240 0 40 DEAB COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1cc(C(C)C)nn1C 95983616 NAEZRUOFNSHFQW-YVEFUNNKSA-N 321.421 2.395 0 40 DEAB CC(C)[C@H]1CCCN(c2ncc(S(N)(=O)=O)s2)CC1 95959773 UONUDLCEESPBED-JTQLQIEISA-N 303.453 2.053 0 40 DEAB COC(=O)[C@H]1CCCC[C@@H]1NC(=O)c1cnn(CC(C)C)c1C 95980937 JVUVDYXCHGJMFN-ZFWWWQNUSA-N 321.421 2.309 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccco2)c1C 9951834 XBNLKCSDQUMMIX-UHFFFAOYSA-N 305.286 2.051 0 40 DEAB COc1cccc(-n2nnc(C(=O)NC3CCCC3)c2C)c1 9970555 HMSOIOHIUQCOHQ-UHFFFAOYSA-N 300.362 2.257 0 40 DEAB O=C(Nc1ccccn1)N[C@H]1CCN(c2ccccc2F)C1=O 75137530 NJNSXLHSGUFETQ-LBPRGKRZSA-N 314.320 2.148 0 40 DEAB Cc1ccc(C(=O)N2CCC(COC3CCCC3)CC2)c(=O)[nH]1 75121129 VSRUCMCRFIHFEJ-UHFFFAOYSA-N 318.417 2.495 0 40 DEAB CCOc1ccc2ccccc2c1CNCCNC[C@@H](C)O 22076121 OEOCENVLBMDJQG-CQSZACIVSA-N 302.418 2.299 0 40 DEAB CC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)nc3nccn23)C1 72368109 NUMODYMEFZYWSE-SNVBAGLBSA-N 312.295 2.474 0 40 DEAB C[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](C)C1CC1)C(F)(F)F)C1CC1 567580174 AXASMSAWTHWJBI-HOTUBEGUSA-N 320.355 2.242 0 40 DEAB CC(C)(C)OC(=O)NC1(c2noc(-c3cnccn3)n2)CCC1 78775023 FRUYHJADIDOWBB-UHFFFAOYSA-N 317.349 2.431 0 40 DEAB COc1ccc(NC(=O)c2ccno2)cc1N1CCCCC1=O 38699292 QXJRQGJGFYEJRZ-UHFFFAOYSA-N 315.329 2.452 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCc2ccccc2F)c1C 72239081 RMXARAGPEFAWBN-UHFFFAOYSA-N 311.382 2.137 0 40 DEAB Cc1ncsc1CN1CCO[C@H](c2ccc(N(C)C)cn2)C1 72388105 KZGYEEDWPJRHPQ-HNNXBMFYSA-N 318.446 2.486 0 40 DEAB CC(C)Cc1noc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)n1 41122655 LKNLBLWAKFPDMR-STQMWFEESA-N 307.394 2.153 0 40 DEAB Cn1cccc1[C@H](O)CNC(=O)c1nc2ccccc2s1 75155048 CXJDKPACMVSKJF-GFCCVEGCSA-N 301.371 2.098 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccco1 225486138 BNOKTFGDVCAXRL-TZMCWYRMSA-N 301.342 2.430 0 40 DEAB O=C(C1CCC(NC[C@H]2CCC=CO2)CC1)N1CCSCC1 225583420 DPTADEPXAAKINJ-UYSNPLJNSA-N 324.490 2.403 0 40 DEAB COCc1nnc(NC(=O)c2ccc3ccccc3n2)s1 226864382 KMNMKUSYEZZPES-UHFFFAOYSA-N 300.343 2.485 0 40 DEAB CCCOCc1cc(C(=O)N2CCN(C)CC2)ccc1OC 224417210 XHVUVAXEJXHIQN-UHFFFAOYSA-N 306.406 2.009 0 40 DEAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCOC 222906391 JLAIERRNUOJZMI-CYBMUJFWSA-N 324.396 2.106 0 40 DEAB Fc1ccc2c(c1)nc1n2[C@@H](CNCc2nccs2)COC1 96112731 FOKWQIWPKFUFDL-NSHDSACASA-N 318.377 2.493 0 40 DEAB biogenic,in-vitro CC(C)(C)OC(=O)NC1CCN(c2ncccc2C(=O)O)CC1 96515896 ACJKAFYSNXZABX-UHFFFAOYSA-N 321.377 2.273 0 40 DEAB O=C(NCC[S@@](=O)c1ccccc1)N1C[C@H]2CC=CC[C@H]2C1 96440373 QTGPPPCMUNNYAX-KIMHZCHSSA-N 318.442 2.402 0 40 DEAB c1csc(N[C@@H]2CO[C@@]3(CCCN(C4CCOCC4)C3)C2)n1 96223369 AIZWZCWIFNPLHE-BBRMVZONSA-N 323.462 2.358 0 40 DEAB Fc1cnc(N[C@@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)nc1 96219593 YAIUFCVOWDLUER-XJKSGUPXSA-N 318.352 2.054 0 40 DEAB OCC1(NCc2ccc(OC(F)F)c(F)c2)CCOCC1 96484383 UWGUDHWBXZFDPR-UHFFFAOYSA-N 305.296 2.058 0 40 DEAB c1cnc(N2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 96223648 SFTPCRNUUBVWFO-DOTOQJQBSA-N 312.373 2.079 0 40 DEAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NCC1CCC1 96418226 TZYJWQJNPZBRJW-UHFFFAOYSA-N 317.357 2.142 0 40 DEAB Cc1ccc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)o1 96200889 KVPWAPGJPKWLGX-SJORKVTESA-N 302.422 2.069 0 40 DEAB CN(C)C(=O)[C@@H]1C[C@]2(CCCN(Cc3cccs3)C2)CO1 96048882 OZCJGGOLIJLVBT-HOCLYGCPSA-N 308.447 2.207 0 40 DEAB O=C(c1ccc[nH]1)N1CCCn2cnc(COCC3CC3)c2C1 96259974 YBENXBXAUGWHPD-UHFFFAOYSA-N 314.389 2.184 0 40 DEAB COc1cccc(F)c1CN1CCO[C@H](c2cnccn2)C1 257255191 KGMXTLRXEJXXPK-INIZCTEOSA-N 303.337 2.198 0 40 DEAB COc1ccccc1C[C@H](C)NC(=O)c1cc(C)nc2ccnn12 257258075 KSIIKOWUTSMSEL-LBPRGKRZSA-N 324.384 2.407 0 40 DEAB C[C@H](CN[C@H](c1ccccc1)c1ncc[nH]1)N1CCOC[C@H]1C 253370933 YLKHQWQXJDOZMT-BFYDXBDKSA-N 314.433 2.198 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)c3sc(C)nc3C)C2)n1 257268933 MNVXWZASIWKGAF-LBPRGKRZSA-N 304.419 2.432 0 40 DEAB Cc1cccnc1C(=O)N1CCC[C@]2(C)NC(=O)CCC[C@H]12 257225350 FFVLSNAUJOBPOO-GUYCJALGSA-N 301.390 2.053 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cn2cnc3ccccc32)n1 257288906 PWDYUKUKWAXFGE-INIZCTEOSA-N 323.400 2.442 0 40 DEAB Cc1cn(C)c([C@H]2CCCN2C(=O)Cn2cnc3ccccc32)n1 257288907 PWDYUKUKWAXFGE-MRXNPFEDSA-N 323.400 2.442 0 40 DEAB O=C(O)c1ccc(O)c(NC(=O)c2ccc3c(c2)OCO3)c1 388835198 CXKPVWODAYSKER-UHFFFAOYSA-N 301.254 2.071 0 40 DEAB CSc1ccccc1NC(=O)C(=O)NCCc1ccoc1 96096839 GOWGAVVDHVFVJH-UHFFFAOYSA-N 304.371 2.299 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575403820 KQLSOOGBNIZMDB-GFCCVEGCSA-N 322.405 2.486 0 40 DEAB Cc1cc(NS(=O)(=O)C[C@@H]2CCC(F)(F)C2)cnc1O 585141685 YYMFIZSLKRMRCV-SECBINFHSA-N 306.334 2.273 0 40 DEAB Cc1cccc(OCCCNS(=O)(=O)c2c(C)noc2C)c1 29186805 KNXKJALMSVUPIW-UHFFFAOYSA-N 324.402 2.347 0 40 DEAB CC(C)S(=O)(=O)c1ccc(CC(=O)NCC(F)(F)F)cc1 36709905 LAOBMOZFJOTCCI-UHFFFAOYSA-N 323.336 2.090 0 40 DEAB CS[C@H](C)CNC(=O)N1CCCN(CC(F)(F)F)CC1 95434959 FGVIEWAFWVPGBC-SNVBAGLBSA-N 313.389 2.018 0 40 DEAB Cc1ccccc1NC(=O)CCSc1ncc(CO)n1C 89690535 VBEMUEGEGYVSRY-UHFFFAOYSA-N 305.403 2.342 0 40 DEAB CCn1ccnc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 12444634 LHLAVQXIVKJQFD-UHFFFAOYSA-N 320.343 2.144 0 40 DEAB COC(=O)[C@H](N)CSc1cc(C)nc2ccc(OC)cc12 12597339 XKKUAMGHHAVSOG-GFCCVEGCSA-N 306.387 2.144 0 40 DEAB O=C(NC1CCCC1)C12C[C@@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 18128361 DUCBMBFDCPZSMX-ZPVISIIKSA-N 315.421 2.027 0 40 DEAB CCN1CCC[C@H]1CN(Cc1ccncc1)Cc1cnn(C)c1 19527224 HYPOUCDLPLUCTQ-SFHVURJKSA-N 313.449 2.302 0 40 DEAB CCOC(=O)c1[nH]c(C)c(CN2C[C@@H]3CCCN3C[C@@H]2C)c1C 19530664 WVCYMBYLNNTMCB-WFASDCNBSA-N 319.449 2.477 0 40 DEAB Cc1noc(CCC(=O)N2CCc3[nH]c4ccccc4c3C2)n1 19657497 YJBBHOXKFPMJIU-UHFFFAOYSA-N 310.357 2.377 0 40 DEAB O=C(CN1CCC[C@@H]1Cn1cccn1)N1CCCc2ccccc21 19659176 FGOMRTNZDUUSFV-QGZVFWFLSA-N 324.428 2.327 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169619913 IVAWDFYOOSCURA-ZBURPKILSA-N 308.381 2.418 0 40 DEAB O=C(O)c1ccc(CN2CCN(Cc3ccccc3)CC2)o1 19850345 QTPGSQPIUNIXCQ-UHFFFAOYSA-N 300.358 2.296 0 40 DEAB Cc1cccc(C)c1NC(=O)CN1C(=O)NC2(CCCC2)C1=O 5293145 XQLAVQKFHBQCTG-UHFFFAOYSA-N 315.373 2.107 0 40 DEAB COc1ccc(CNC(=O)c2ccc(F)c(C)n2)c(OC)c1 1888883443 VXFFILYYRLOVIW-UHFFFAOYSA-N 304.321 2.476 0 40 DEAB CO[C@H]1CN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C[C@H]1OC 234755131 UFMWHNXHGASCFM-PHIMTYICSA-N 319.188 2.061 0 40 DEAB CN1CCCC[C@]2(CN(C(=O)CC3CCCCC3)CCO2)C1=O 2037984778 NQRHOIWEONJJOL-SFHVURJKSA-N 322.449 2.197 0 40 DEAB Cc1cc(C)nc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccccc2)n1 1565552740 VMVXELWQSFTPDI-IRXDYDNUSA-N 322.412 2.473 0 40 DEAB CCc1ccccc1NC(=O)CSc1nnc(C)c(O)n1 2606618 KXWSCKBJPUBUGK-UHFFFAOYSA-N 304.375 2.179 0 40 DEAB O=c1c(=O)n(Cc2ccc(F)cc2)ccn1CCc1ccccc1 6816561 YFOCRAJNDKDINF-UHFFFAOYSA-N 324.355 2.440 0 40 DEAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1cccnc1 13808068 LULLVJFBYKDPKC-UHFFFAOYSA-N 324.315 2.083 0 40 DEAB CC(C)(C)C(=O)N[C@H]1CCc2onc(CN3CCCC3)c2C1 2055738607 BPAPYVJYCPCWIY-LBPRGKRZSA-N 305.422 2.290 0 40 DEAB CCc1nccn1CC1CN(c2cc(C)nc(SC)n2)C1 2086884484 ZOJQCYFGSHQJLW-UHFFFAOYSA-N 303.435 2.402 0 40 DEAB O=C(c1ccsc1)N1CCN(c2ccc(C3CC3)nn2)CC1 575618485 BMZFXOHBMVSRFV-UHFFFAOYSA-N 314.414 2.378 0 40 DEAB O=C(/C=C/c1ccco1)NCc1cncc(N2CCCC2=O)c1 575620904 WJWNWUUMZFMIFZ-AATRIKPKSA-N 311.341 2.131 0 40 DEAB CN(CC1CCC1)c1ncnc2c1ncn2C[C@@H]1CCCO1 2298048299 ODVBRMHVIOSYFS-ZDUSSCGKSA-N 301.394 2.242 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCCCC1 539629 ORHFBIPGLOMLGE-HNNXBMFYSA-N 304.390 2.356 0 40 DEAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 20058093 QKUAUDHPDJEHBM-CYBMUJFWSA-N 308.397 2.189 0 40 DEAB O=C(NCC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccccc1 30766090 KRAFXJWNVVKXLL-QGZVFWFLSA-N 324.380 2.017 0 40 DEAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(-n2cncn2)cc1 40490500 OMAJOHWYDWUPEN-SECBINFHSA-N 315.768 2.466 0 40 DEAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc2ncccc2c1 190243 DYCYIRLEIWHUJK-OAHLLOKOSA-N 321.340 2.288 0 40 DEAB CCC1(CC)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O 51257868 GPCNDMFPTFLTKW-GFCCVEGCSA-N 312.316 2.109 0 40 DEAB C[C@H]1CN([C@H](C)CNC(=O)CCc2ccsc2)C[C@@H](C)O1 32828486 VHPDWXPEZCTJCB-MCIONIFRSA-N 310.463 2.295 0 40 DEAB O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(CC(F)(F)F)C1 32815711 AYDOVTCZPZHFFV-MRVPVSSYSA-N 304.243 2.175 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2ccc(F)cc2)C1 32934330 VKMUETCDLIBKPO-ZFWWWQNUSA-N 319.380 2.280 0 40 DEAB O=C(NCc1ccc(CN2CCOCC2)cc1)C1CCCC1 21936016 GWPJBABSHSIVKI-UHFFFAOYSA-N 302.418 2.325 0 40 DEAB CCN1CCCC[C@H]1CNC(=O)Cc1ccc(NC(C)=O)cc1 69619788 FCXGIAXWZKEBNV-KRWDZBQOSA-N 317.433 2.178 0 40 DEAB Cc1nn(CCC(=O)N2CCCC2)c(C)c1Br 2778151 BTKTWWUMUDDHQO-UHFFFAOYSA-N 300.200 2.275 0 40 DEAB O=C(CSc1n[nH]c(=O)n1C1CC1)c1cc(F)ccc1F 8503723 IURWINMNRWFYNP-UHFFFAOYSA-N 311.313 2.160 0 40 DEAB C[C@@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCNC1=O 46819984 LJGWESOTVKIUQR-SECBINFHSA-N 314.345 2.057 0 40 DEAB C[C@@H]1C[C@@H]1NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 78878197 UHPCLQXNMBFANG-KOLCDFICSA-N 300.314 2.251 0 40 DEAB COc1ccc2c(ccn2CC(=O)N[C@H]2CCC[C@H]2OC)c1 79102377 YVCWKTNPNZEHFA-GOEBONIOSA-N 302.374 2.334 0 40 DEAB S=C(NC[C@@H]1CCCO1)Nc1cnn(Cc2ccccc2)c1 2776841 LNWDUOUDEWJVTK-HNNXBMFYSA-N 316.430 2.397 0 40 DEAB CC1(C)[C@]2(C(=O)Nc3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)O2 2884911 VENIOCPKQSRIHO-DLBZAZTESA-N 317.341 2.476 0 40 DEAB NC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 41677832 PTJWEJJWMUNVJL-ZCFIWIBFSA-N 317.130 2.189 0 40 DEAB Cc1cc(C(=O)NC(C2CC2)C2CC2)ccc1N1CCNC1=O 53292902 TZKFQROUVNYPHC-UHFFFAOYSA-N 313.401 2.443 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3CCO[C@@H]4CCC[C@H]43)cnc21 53382060 OCDXPVSOZYOCPS-HUUCEWRRSA-N 314.389 2.406 0 40 DEAB Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)O 4130255 TYEGLLKNOFGIAE-UHFFFAOYSA-N 312.782 2.257 0 40 DEAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2cccnc2)o1 6100151 VZQRXSJWODPSHG-SNVBAGLBSA-N 306.391 2.384 0 40 DEAB O=C(O)C1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 37433284 LMSSKBCGBFVDFR-UHFFFAOYSA-N 311.765 2.432 0 40 DEAB CCCc1nnc(NS(=O)(=O)c2ccc(OC)cc2)s1 815544 KDYCRIOSNVOIAC-UHFFFAOYSA-N 313.404 2.300 0 40 DEAB CC(=O)NC1=NC(=O)/C(=C\c2cccc(Cl)c2Cl)N1C 8665089 HVCKHBNWUDBHNB-UXBLZVDNSA-N 312.156 2.298 0 40 DEAB CC(C)n1ncc2c(C(=O)Nc3nc[nH]n3)cc(C3CC3)nc21 23142298 NKJSEYDQNHIEGO-UHFFFAOYSA-N 311.349 2.260 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1cc(Cl)c2c(c1)OCO2 25047073 VUMPWFHADPMIQR-UHFFFAOYSA-N 307.737 2.074 0 40 DEAB C[C@H]1CN(c2ccccc2NC(=O)N2CCOCC2)C[C@H](C)O1 47806762 WICAZZGEMSUZKO-KBPBESRZSA-N 319.405 2.164 0 40 DEAB COc1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1Cl 3279632 DGYMMQHANPYQLF-UHFFFAOYSA-N 317.736 2.347 0 40 DEAB O=C(CCOc1ccc(Cl)cc1)NCCNc1ncccn1 57060597 MXHNJLHNCGUESX-UHFFFAOYSA-N 320.780 2.127 0 40 DEAB CCCS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 57003229 UKCWDHATIIZCEX-ZDUSSCGKSA-N 311.403 2.335 0 40 DEAB CN(C)C(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccco2)n1 44023791 NIDGRSRLOMRCAE-NSHDSACASA-N 319.386 2.096 0 40 DEAB C[C@H]1Cc2ccccc2N1CCNC(=O)[C@H]1CCO[C@H](C)C1 108167038 AHJRAVABEZNNIK-LZWOXQAQSA-N 302.418 2.369 0 40 DEAB O=C(/C=C/c1ccc(F)cc1)NCc1cccnc1-n1cncn1 58201111 FQCMQFDZNLMMPM-VMPITWQZSA-N 323.331 2.131 0 40 DEAB COc1ncccc1NC(=O)N1CCN(Cc2ccco2)CC1 48234983 GSBWBXHXBVFBMU-UHFFFAOYSA-N 316.361 2.033 0 40 DEAB CCN(Cc1ccc(F)cc1Cl)[C@@H]1CCS(=O)(=O)C1 58340220 WGCWTZOURCVQER-GFCCVEGCSA-N 305.802 2.488 0 40 DEAB CCCCN(C)S(=O)(=O)c1cc(OC)c(C)cc1OC 28051472 JOTXCVKQQTXBAZ-UHFFFAOYSA-N 301.408 2.433 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)[C@@H](C)NC(=O)OC(C)(C)C 58418085 MPMDVXCQMOYOLZ-GXSJLCMTSA-N 324.425 2.127 0 40 DEAB Cc1ccc(NCCNC(=O)CSc2ccccc2)nn1 69743465 OTLAZPBCMBLFSV-UHFFFAOYSA-N 302.403 2.105 0 40 DEAB CCc1nc2ccccc2n1CC(=O)N1C[C@@H](C)OC[C@@H]1C 45447440 PIWZFEDRKBJXKK-QWHCGFSZSA-N 301.390 2.235 0 40 DEAB O=C1CO[C@H]2CN(C3CCCCC3)C[C@H]2N1c1ccccc1 67897049 HGZPWDUCVRVULG-SJORKVTESA-N 300.402 2.435 0 40 DEAB biogenic,in-vitro COc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)c1 3454729 GVFSWKSANMVDFS-LBPRGKRZSA-N 314.341 2.275 0 40 DEAB C[C@@H]1CO[C@@H](CO)CN1Cc1c[nH]nc1-c1cccc(Cl)c1 92042166 NIBYLIHFMLXFNJ-IAQYHMDHSA-N 321.808 2.312 0 40 DEAB COc1ccc([C@@H](C)NC(=O)C2CCN(C(C)=O)CC2)cc1 13322139 MEMQGJIJYYEKDH-GFCCVEGCSA-N 304.390 2.131 0 40 DEAB CS(=O)(=O)NCCCNC1(c2ccc(Cl)cc2)CCC1 69808383 GLNZLYYVPGAMHE-UHFFFAOYSA-N 316.854 2.248 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](n2ccnc2)C1 69922566 NSRGTOFMLBZERI-JYJNAYRXSA-N 321.421 2.021 0 40 DEAB COc1cccc(OC2CN(Cc3cccc(CCN)c3)C2)c1 72419291 YGSBBXVGKLJCBM-UHFFFAOYSA-N 312.413 2.460 0 40 DEAB C[C@@H](NC(=O)Cn1c(=O)cnc2ccccc21)c1cccs1 8745169 UXIBRHMEVFGFQN-LLVKDONJSA-N 313.382 2.335 0 40 DEAB C[C@H](NC(=O)NC[C@@H](c1cccs1)N(C)C)[C@@H]1CCCO1 65449792 VSSOBIJGPGEGEH-AVGNSLFASA-N 311.451 2.218 0 40 DEAB CC(C)CCNC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 5561878 LUWZUFJJZWOKQO-BBRMVZONSA-N 304.415 2.419 0 40 DEAB O=C(COC(=O)c1csc2c1CCCC2)NCC(F)(F)F 5968061 RDCCDTIURRHYQG-UHFFFAOYSA-N 321.320 2.462 0 40 DEAB CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccco1 67200302 FJLDGFBQVUPEDL-OFAQMXQXSA-N 312.369 2.109 0 40 DEAB CN(C)CCNc1nc2ccccc2c(=O)n1-c1ccccc1 71279928 RNUAHGQCMVKODP-UHFFFAOYSA-N 308.385 2.359 0 40 DEAB Cc1ccc(CC(=O)Nc2cc(C3CCOCC3)[nH]n2)cn1 81094591 DOEJLBQJGAWRHV-UHFFFAOYSA-N 300.362 2.188 0 40 DEAB CCSc1ccc(C(=O)NC2CCN(C(=O)OC)CC2)cn1 68759156 WNAGLPQCUZWJPX-UHFFFAOYSA-N 323.418 2.154 0 40 DEAB COc1ccccc1CNc1nnc(-c2ccccc2)c(=O)[nH]1 16695960 PTYBBPQXQWTMOD-UHFFFAOYSA-N 308.341 2.453 0 40 DEAB CC(C)CNC(=O)c1cccc(CNCCn2cccn2)c1 70021576 LLSFBMPLOWKXSS-UHFFFAOYSA-N 300.406 2.059 0 40 DEAB O=C(NCCCN1CCOCC1)Nc1ccc(F)c(Cl)c1 69347724 ARFFFFFKXCOWSC-UHFFFAOYSA-N 315.776 2.323 0 40 DEAB c1ccc(-c2cnc(CN3CCO[C@@H](Cn4cccn4)C3)o2)cc1 69375382 VIBJJXHIXOCBKE-MRXNPFEDSA-N 324.384 2.439 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNC[C@@H](c1ccsc1)N(C)C)CN2 69348587 IFMMXAOBZOUPNE-ZFWWWQNUSA-N 319.478 2.187 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)N1CCCc2ccccc21 8345158 JYPWBIJZECWFBJ-UHFFFAOYSA-N 323.396 2.102 0 40 DEAB COCC(=O)N[C@H](C(=O)NC[C@H]1C[C@H]1C1CCCCC1)C(C)C 96014017 CYKDTZWFKDJETM-VYDXJSESSA-N 324.465 2.106 0 40 DEAB O=[S@@](Cc1ccc(F)cc1Cl)Cc1nnnn1C1CC1 69588255 ZPWSTQPVRJIXSI-HXUWFJFHSA-N 314.773 2.249 0 40 DEAB COC1CCN(CCNc2cncc(OCC(C)C)n2)CC1 84544469 HMJAEELELRZEBC-UHFFFAOYSA-N 308.426 2.034 0 40 DEAB C[C@H]1CN(C[C@@H](O)COc2ccc3c(c2)CCC3)C[C@@H](C)O1 23224586 HHFPWAVYGXNLFM-JKIFEVAISA-N 305.418 2.024 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(Br)c[nH]2)cn1 71796893 HKVDEZCNNVKEAE-LBPRGKRZSA-N 323.194 2.488 0 40 DEAB O=c1ccnc2sc(N3CCCC[C@H]3c3ccco3)nn12 95397847 JUSIEZHYNVEPKV-JTQLQIEISA-N 302.359 2.476 0 40 DEAB CC[C@@](C)(NC(=O)c1cnc2c(cnn2C(C)C)c1)C(=O)OC 95393357 FROMYXJWEZPFGK-MRXNPFEDSA-N 318.377 2.084 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H]2CCCSC2)n1 96452327 YIKGVBQVZUVLAQ-FZMZJTMJSA-N 310.467 2.331 0 40 DEAB COc1ccc(C)cc1[C@@H](O)CN[C@H](C)Cn1cc(C)cn1 71874965 CDTYKZBRRZXWQT-ZBFHGGJFSA-N 303.406 2.220 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cc(F)ccc1F 71823464 SXHLOFOGXFLDKX-FBSILNAGSA-N 308.328 2.090 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C[C@@H]1CCCO1 71890129 NHPMHPZAZFVYJU-STQMWFEESA-N 312.410 2.023 0 40 DEAB CCOC(=O)N1CCN(CCOc2cccc(Cl)c2)CC1 19907698 MAUXWKUOPKXCNY-UHFFFAOYSA-N 312.797 2.493 0 40 DEAB COCCC(=O)N[C@@H](C)[C@@H](O)c1ccc(Br)cc1 95429957 DCHVHNPDBGCWNY-TVQRCGJNSA-N 316.195 2.024 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 95424092 YJRDQBYCSAJJGY-SECBINFHSA-N 315.728 2.181 0 40 DEAB O=CN1CCC(OC(=O)[C@@H]2SCCc3ccccc32)CC1 95461444 ZGLYQMXHSLDKDU-OAHLLOKOSA-N 305.399 2.181 0 40 DEAB C[C@@H](Cc1ccccc1Cl)C(=O)NC1CCN(C(N)=O)CC1 95435954 POIRHGMLTCGVQK-NSHDSACASA-N 323.824 2.178 0 40 DEAB Cc1ccc(C[C@H](CNC(=O)CC[C@@H]2CCCO2)C(=O)O)cc1 95970685 ISVVVNYXJWPBJE-CVEARBPZSA-N 319.401 2.314 0 40 DEAB CCc1sc([C@@H](C)NC(=O)[C@@H]2COCCN2C(C)=O)cc1C 95979504 IRJSPHSTJXRKJF-YPMHNXCESA-N 324.446 2.043 0 40 DEAB COc1cccnc1NC(=O)[C@H](C)N1CCc2ccccc2C1 89518788 XUXXYCHECQFNCA-ZDUSSCGKSA-N 311.385 2.476 0 40 DEAB Cc1cscc1C(=O)N(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 89708869 KSXLXZHSZKUTNQ-OLZOCXBDSA-N 315.460 2.484 0 40 DEAB CC(=O)NCCCS[C@H]1CCN(c2ccccc2F)C1=O 89962648 JPIBJBDCUWWZLK-AWEZNQCLSA-N 310.394 2.190 0 40 DEAB CN1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 67284990 VAQVLGBIHAJRCH-UHFFFAOYSA-N 311.364 2.287 0 40 DEAB CCOC(=O)C(C)(C)n1cc(I)c(C)n1 408715421 BFQNHGMLQTUTON-UHFFFAOYSA-N 322.146 2.094 0 40 DEAB O=C(O)c1c(F)cnc(I)c1Cl 36432686 QMBCQZKYAJBOBH-UHFFFAOYSA-N 301.442 2.177 0 40 DEAB CC(=O)N1CCCC[C@@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380456 KEPWQVLLRSJFDI-OAHLLOKOSA-N 304.394 2.156 0 40 DEAB C[C@H](NC(=O)NCCNC(=O)CC1CCCC1)c1nccs1 78602498 FPQGJCLTMRYOGW-NSHDSACASA-N 324.450 2.200 0 40 DEAB Cc1nc2cc(NC(=O)[C@H]3CSCCC(=O)N3)ccc2s1 75171464 VDJIVHZBUPPRCS-LLVKDONJSA-N 321.427 2.165 0 40 DEAB CCc1ccccc1CNC(=O)NCCOC[C@@H]1CCCO1 77578320 JXBZBDVKPOTRGP-INIZCTEOSA-N 306.406 2.244 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 72364012 CTFUNYWYCIGGPS-AWEZNQCLSA-N 305.403 2.385 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2ccc(Cl)cc2F)CC1 189127158 BHQRGMMJEVHKHN-AWEZNQCLSA-N 315.772 2.225 0 40 DEAB CC1(C(=O)NCc2cc[nH]n2)CCN(Cc2ccccc2)CC1 195569645 AJEIHIZRZPFMHF-UHFFFAOYSA-N 312.417 2.328 0 40 DEAB C[C@H](CN1CCOCC1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 192758866 NBQPFWUNUXHQFS-AOIWGVFYSA-N 318.461 2.465 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2ccccc2OC)C1 44867054 SZQNLDINMHFROZ-OAHLLOKOSA-N 319.401 2.430 0 40 DEAB O=C(O)c1csc(NC(=O)[C@@H]2COc3ccccc3O2)c1 571597039 BXCODYMONVIDSU-NSHDSACASA-N 305.311 2.225 0 40 DEAB C[C@@H](NC(=O)[C@H]1COc2ccccc2C1)c1nnc2ccccn12 40468729 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Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2)n1 257201860 AJISSGQFLQHHNX-CYBMUJFWSA-N 311.341 2.143 0 40 DEAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2Cc1ccccc1C(=O)O 257305703 SRCNPQGIYJKODZ-HZPDHXFCSA-N 316.401 2.360 0 40 DEAB COc1cccc([C@H]2Cn3ccnc3CN2C(=O)c2cc[nH]n2)c1 257232641 GLUGHMFNADPXHE-OAHLLOKOSA-N 323.356 2.012 0 40 DEAB CCS(=O)(=O)[C@H]1[C@H](c2ccc(Cl)cc2)[C@H]1C(N)=S 252517029 ZAJGTHKBHUDZNN-MXWKQRLJSA-N 303.836 2.143 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(C(C)C)no3)C2)n1 257331797 XUHHNPMFHYLQHC-GFCCVEGCSA-N 302.378 2.470 0 40 DEAB O=C(NCCNc1ccc(-n2cccc2)nn1)c1cccs1 85472049 DIUCUBFWESWVSM-UHFFFAOYSA-N 313.386 2.171 0 40 DEAB COc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cn1 260733097 FFGYNOJTBXJHJU-ZDUSSCGKSA-N 322.478 2.499 0 40 DEAB CCCC(=O)N1CC2(C[C@H](OCc3ccccn3)CCO2)C1 575405118 RBXMNEJYZFHICP-OAHLLOKOSA-N 304.390 2.158 0 40 DEAB CO[C@@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Cc1ccccc1F 585277189 GQKLAYVHWMXPDP-CZUORRHYSA-N 317.364 2.269 0 40 DEAB CCc1noc([C@@H](C)N2CCN([C@H](C)c3cccnc3)CC2)n1 69535622 UVAHQTZMRNKWBN-ZIAGYGMSSA-N 315.421 2.467 0 40 DEAB C[C@H](c1cccs1)N(C)CCCN1C(=O)NC(C)(C)C1=O 52283219 SRYHLRFQEPHUGC-LLVKDONJSA-N 309.435 2.461 0 40 DEAB CC[C@@H](C(=O)O)N1CCC(NC(=O)c2ccccc2C)CC1 191403581 OVBPVECGJMQRAG-HNNXBMFYSA-N 304.390 2.052 0 40 DEAB Cc1ccc(NC(=O)CSc2nnc(C)c(O)n2)cc1C 5941601 VEXXFTVDMSKWJA-UHFFFAOYSA-N 304.375 2.233 0 40 DEAB CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1c(C)cccc1C 16843205 QYSGJWSFUIOXTC-UHFFFAOYSA-N 323.374 2.004 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)c(O)c1 10216166 XMRMFSADNANYEL-UHFFFAOYSA-N 302.305 2.208 0 40 DEAB COc1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 1361603 ZTXOKSCLBMNSDU-UHFFFAOYSA-N 312.325 2.059 0 40 DEAB C[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)O)c2)[C@@H]1C 5788654 AEOULEMWISPJTA-JTNHKYCSSA-N 311.403 2.488 0 40 DEAB Clc1cnc(N2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)nc1 1889082795 YXCHIBHNARUSME-YPMHNXCESA-N 301.781 2.240 0 40 DEAB O=C(Nc1cccnc1)N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 4272676 XYHNMYVLMZRJFO-CYBMUJFWSA-N 314.320 2.148 0 40 DEAB Cc1ccc2[nH]c3c(=O)n(CCC(=O)NC(C)C)cnc3c2c1 23125602 AQPGQLIWQHKSTH-UHFFFAOYSA-N 312.373 2.101 0 40 DEAB CCc1cccc(C)c1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 20001607 BZCODDGITOUMRZ-UHFFFAOYSA-N 308.359 2.385 0 40 DEAB CC(C)(C(N)=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 52521579 UEDNJEMRVAIXQI-UHFFFAOYSA-N 315.339 2.091 0 40 DEAB C[C@H]1CCc2c(C(=O)N[C@H](C)CN3CCOCC3)csc2C1 60531320 ZZGLYVDQRGJHSM-QWHCGFSZSA-N 322.474 2.323 0 40 DEAB Cn1c(C(=O)NCCCn2ccnc2)cc(Cl)c1Cl 41749506 IIDMGKAHKYVVQB-UHFFFAOYSA-N 301.177 2.349 0 40 DEAB O=C(NCCCN1CCc2ccccc2C1)N1CCSCC1 79285834 PHIRATRPWZYKRT-UHFFFAOYSA-N 319.474 2.193 0 40 DEAB COc1ccccc1C(=O)NCC(=O)Nc1ccccc1F 6790819 HCQHZHWEASIBDX-UHFFFAOYSA-N 302.305 2.203 0 40 DEAB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)s1 6967011 DFNYUEJGWBXMGW-KPKJPENVSA-N 313.338 2.118 0 40 DEAB C[C@@H](C(=O)N1CCCCCC1)N1CCN(c2nccs2)CC1 54635262 OYNCVMPZHKAGEW-AWEZNQCLSA-N 322.478 2.056 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1nncn1C 43166222 LTNFXVXIFSLBGF-CMPLNLGQSA-N 317.418 2.412 0 40 DEAB CS[C@@H](C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 106097264 ROLNKXMZCDGSME-TUAOUCFPSA-N 309.435 2.385 0 40 DEAB O=C(CCN1CCN(c2ccccc2)CC1)Nc1nccs1 3080179 IJZCJHJETXLSBO-UHFFFAOYSA-N 316.430 2.294 0 40 DEAB COc1cc(C(=S)NC[C@@H]2CCCO2)cc(OC)c1OC 9188268 ZTUKLVUSHICFKC-NSHDSACASA-N 311.403 2.157 0 40 DEAB CCOc1ccccc1C(=O)Nc1cnn(CCCC(=O)O)c1 1424797 SDOFKNOITAFDDV-UHFFFAOYSA-N 317.345 2.399 0 40 DEAB C[C@@H](CC(=O)N1CCNC(=O)C1)c1ccc(C(F)(F)F)cc1 57427318 HPXOQCZSZFCFGI-JTQLQIEISA-N 314.307 2.157 0 40 DEAB Cc1nc2ccc(N[C@H](C)C(=O)NC(=O)NC3CC3)cc2s1 12515588 QWKYHHBCWMHENJ-MRVPVSSYSA-N 318.402 2.393 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)c1 10088922 WQFKURNQKCDUJV-AWEZNQCLSA-N 322.430 2.478 0 40 DEAB CC(C)c1cc(NC(=O)c2ccc(S(C)(=O)=O)cc2)[nH]n1 58159248 PGQJEAXZKYKLAZ-UHFFFAOYSA-N 307.375 2.189 0 40 DEAB O=C(OCC(=O)N1CCCC1)c1cccc(Br)c1 3239535 HGQVXCDPBJVJRH-UHFFFAOYSA-N 312.163 2.228 0 40 DEAB CCn1ccc2cc(NC(=O)CCN3C(=O)CCC3=O)ccc21 58223399 NWAQUQHMHQRDQE-UHFFFAOYSA-N 313.357 2.139 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 58426630 BOILPPSXQAMCME-OAHLLOKOSA-N 316.401 2.455 0 40 DEAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)NC[C@@H](C)O 56835764 PQFCHWPABQXHJJ-VHSXEESVSA-N 320.311 2.153 0 40 DEAB O=C(NC1(c2ccccc2)CCC1)c1ccc(-n2cnnn2)cc1 53473069 WNFMWCDZMQBIPR-UHFFFAOYSA-N 319.368 2.472 0 40 DEAB O=S(=O)(NC[C@H]1CCOC1)c1ccccc1C(F)(F)F 45743307 GZOBVRVDBIBDAB-SECBINFHSA-N 309.309 2.020 0 40 DEAB COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)O)C2)cc1OC 13170276 LHPCZGNUMZFQFE-CFNZNRNTSA-N 319.357 2.040 0 40 DEAB CCCc1cc(=O)[nH]c(SCC(=O)NCc2cccs2)n1 13471138 NJWAWNPLWFBBNT-UHFFFAOYSA-N 323.443 2.192 0 40 DEAB COCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1N 13730807 HFYRZKJKOKNVRB-UHFFFAOYSA-N 322.430 2.475 0 40 DEAB CCCS(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 4314999 HZGKPCIAGJIANH-UHFFFAOYSA-N 307.419 2.482 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1ccccc1C)CC2=O 20800722 PPOCQKZRPOXYLL-LLVKDONJSA-N 311.337 2.383 0 40 DEAB C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)NC(N)=O 5302474 QCGSNYDEGZDSLI-SECBINFHSA-N 324.402 2.147 0 40 DEAB CC(C)CNC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 6624242 ABFXVUZEXNVEEA-UHFFFAOYSA-N 321.373 2.287 0 40 DEAB biogenic O=C(N[C@H]1COc2cc(F)cc(F)c21)c1cc(C2CC2)[nH]n1 96010277 VZLWHXNSNMYOSG-LBPRGKRZSA-N 305.284 2.429 0 40 DEAB O=C(NCCc1cn2ccccc2n1)c1cccc2c1OCCO2 67033787 JRUGWOMALYCKTI-UHFFFAOYSA-N 323.352 2.078 0 40 DEAB COC(=O)c1cc(CNC(=O)c2cccs2)ccc1OC 7841988 IAMYFINGUKTIFE-UHFFFAOYSA-N 305.355 2.473 0 40 DEAB COc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cn1 8018712 JRXLOGKGGIQCGL-HNNXBMFYSA-N 313.357 2.296 0 40 DEAB CCC(CC)NC(=O)CN(C)CC(=O)Nc1ccc(F)cc1 8121531 AUCQWJUNDQOTPI-UHFFFAOYSA-N 309.385 2.001 0 40 DEAB CCCNC(=O)CCNC(=O)C1(c2ccc(C)c(OC)c2)CC1 69462046 AIDUCFXHZGNYKJ-UHFFFAOYSA-N 318.417 2.068 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)CCCn1nnc(-c2ccccc2)n1 69420857 QXDDFHNCZRGUBC-ZDUSSCGKSA-N 313.405 2.377 0 40 DEAB COC(=O)c1c(SC)nc(/C=C/c2ccccc2)[nH]c1=O 17193789 JGENPZYPCGXKME-CMDGGOBGSA-N 302.355 2.449 0 40 DEAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CC[C@H](C(N)=O)C1 69538821 PDXYIJZSVOTHLE-NSHDSACASA-N 315.398 2.066 0 40 DEAB COC(=O)c1c(C)cccc1S(=O)(=O)Nc1ccc(C)cn1 69675080 PHBHXEFPPJMSJT-UHFFFAOYSA-N 320.370 2.286 0 40 DEAB Cc1oc(-c2ccccc2)nc1CN1CCCN(C(N)=O)CC1 69616151 VHICQOJNRHQVTL-UHFFFAOYSA-N 314.389 2.236 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(F)c(C(=O)NC)c1 69841729 KLGJRYFZFMMVCB-GFCCVEGCSA-N 323.368 2.218 0 40 DEAB COC(=O)c1cc(CN2CC[C@@](O)(C(F)(F)F)C2)c(C)s1 97014113 OOWCAIJLMJBYEO-LBPRGKRZSA-N 323.336 2.342 0 40 DEAB CC[C@H](C)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)on1 72295672 WZGKNZVVYKEDCI-NWDGAFQWSA-N 303.366 2.257 0 40 DEAB Cc1cnc(CN(Cc2c(C)noc2C)[C@@H]2CCN(C)C2)o1 84259288 ADKVZOMLOZNSOF-CQSZACIVSA-N 304.394 2.294 0 40 DEAB CCN(CC)C(=O)N1CCOC[C@H]1CC(=O)c1cccs1 97144759 OEQWNQSOHADJFE-GFCCVEGCSA-N 310.419 2.484 0 40 DEAB CC1(C)C[C@H](N[C@@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 95423850 KXTBXTRRVFOWIW-CABCVRRESA-N 317.433 2.232 0 40 DEAB Cc1noc(-c2cccnc2N2CC[C@@H](Oc3ccccn3)C2)n1 95418485 AMRLIQAMMZOOKR-CYBMUJFWSA-N 323.356 2.493 0 40 DEAB CC1(C)C[C@H](N[C@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 95423852 KXTBXTRRVFOWIW-GJZGRUSLSA-N 317.433 2.232 0 40 DEAB C[C@@H](CO)N(C)C(=O)NC1CCN(CC2CCCCC2)CC1 95982088 AWXDAMCDCLFBDT-AWEZNQCLSA-N 311.470 2.053 0 40 DEAB O=C(N[C@H]1CCC[C@H](C(=O)O)C1)c1c(Cl)nc2ccccn12 95991872 UKZNOGIBWCTPES-UWVGGRQHSA-N 321.764 2.361 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2csc(C(C)C)n2)CC1 95972748 JQLKMNCZMXKAGM-ZDUSSCGKSA-N 312.435 2.012 0 40 DEAB COCCN1CCC(CNC(=O)[C@@H](C)c2cc(C)oc2C)CC1 89580410 HDIOIBLFBCLJQQ-AWEZNQCLSA-N 322.449 2.475 0 40 DEAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCO[C@H](c2ccccc2)C1 89828111 YVAHQEYRRDPBIF-KRWDZBQOSA-N 324.380 2.077 0 40 DEAB COc1ccc(Cc2noc(CS(=O)(=O)CC(C)C)n2)cc1 75610006 PIRKAADVKOONFM-UHFFFAOYSA-N 324.402 2.240 0 40 DEAB CN(C)C(=O)Nc1ccc2nc(N3C(=O)CCC3=O)sc2c1 409126846 CGOGHLQULLKVKB-UHFFFAOYSA-N 318.358 2.043 0 40 DEAB COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cc(C)no2)c1 188358691 SXDKNWMZRLPBIX-DZGCQCFKSA-N 316.357 2.420 0 40 DEAB COc1ccccc1N1CCN(CCNc2ccccn2)CC1 77320098 ZOOGISIXBJEBLV-UHFFFAOYSA-N 312.417 2.324 0 40 DEAB in-vitro O=C(c1cnccn1)N1CCC(c2cc3cccnc3[nH]2)CC1 72368290 OFOQOBNYYWFLNR-UHFFFAOYSA-N 307.357 2.373 0 40 DEAB O=C(Cc1cccs1)NC[C@@H](c1ccco1)N1CCOCC1 36078887 PQOBFOUUPKAVKZ-AWEZNQCLSA-N 320.414 2.073 0 40 DEAB COc1ccccc1[C@H]1CN(C(=O)c2ccncc2)CCN1C 36132097 SJGHRVUEABUZSU-MRXNPFEDSA-N 311.385 2.219 0 40 DEAB Cc1ccc(S(=O)(=O)N2CC(=O)c3ccccc3C2)cc1 32188970 PBYCNZJUBOWCEO-UHFFFAOYSA-N 301.367 2.382 0 40 DEAB COC(=O)c1sc(NC(=O)CCCn2cccn2)cc1C 78048298 KKTSDRIRDFUKBC-UHFFFAOYSA-N 307.375 2.459 0 40 DEAB C[C@@]1(C(=O)NCc2ccco2)Oc2ccc(Cl)cc2NC1=O 41549791 QGGDMVZMOWQSPH-HNNXBMFYSA-N 320.732 2.339 0 40 DEAB COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2ccc(C)o2)cc1OC 72227070 HTYDLQHASXTDHG-HZPDHXFCSA-N 316.357 2.016 0 40 DEAB Cc1cc(Br)cc(C)c1NC(=S)NCCO 225192680 AWUZTQBICDFLLL-UHFFFAOYSA-N 303.225 2.345 0 40 DEAB CCCC(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386274 FMOLANYXNDWFTI-CQSZACIVSA-N 300.358 2.355 0 40 DEAB COc1cc(CNC(=O)c2ccc(Br)cn2)ccn1 62057232 OWIOXXZRMRHHHO-UHFFFAOYSA-N 322.162 2.178 0 40 DEAB C[C@@H]1CCc2ccccc2N1CCC(=O)N1CCC[C@@H](O)C1 195532271 KJLWTOGXPYDZDQ-GDBMZVCRSA-N 302.418 2.201 0 40 DEAB COc1ccc(NC(=O)NCc2cc(C)nc(N(C)C)n2)cc1 191428792 VBNVOSIVLIOITC-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB Cn1c(SCC(=O)O)nnc1-c1cnc2ccccc2c1 199716773 INKIEACOGCGFQP-UHFFFAOYSA-N 300.343 2.207 0 40 DEAB Cn1cccc1CN1CCC2(CC1)CCN(CC1CC1)C2=O 96157806 XCDLLRWRKDBUIB-UHFFFAOYSA-N 301.434 2.250 0 40 DEAB COc1cc2ccn(CCOC[C@@H]3CCCO3)c(=O)c2cc1F 96501124 VQKQDIHKJZHDDR-ZDUSSCGKSA-N 321.348 2.345 0 40 DEAB C[C@](Br)(C(=O)c1cccc(F)c1)S(C)(=O)=O 96518605 ZBOPKAPQPDYXMV-SNVBAGLBSA-N 309.156 2.164 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CCO1 96440001 BUPAXIXNMNIXBF-HOCLYGCPSA-N 306.406 2.421 0 40 DEAB Fc1cccc(CN2C[C@@H]3OCCN(c4cccnc4)[C@@H]3C2)c1 96081751 PAUGOPMACXFJNP-MSOLQXFVSA-N 313.376 2.310 0 40 DEAB NC(=O)C1(CN[C@H]2CCCc3cc(F)ccc32)CCOCC1 96491569 CUHFCIJDZHNDJK-HNNXBMFYSA-N 306.381 2.075 0 40 DEAB Cc1noc([C@H](NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)C(C)C)n1 97378499 UPMSEFJDEMJZLM-HZSPNIEDSA-N 322.409 2.332 0 40 DEAB O=C(NC1CCOCC1)c1ccc(NCc2ccon2)cc1 96461050 WLQACTKVRYGNQA-UHFFFAOYSA-N 301.346 2.196 0 40 DEAB Cc1nc(-c2cccs2)sc1CNC(=O)Cn1cncn1 85470967 QHEOTQGSWWEZMU-UHFFFAOYSA-N 319.415 2.088 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2CCC(=O)O)sc1C 585091296 YVXWPYRRJJYREV-LLVKDONJSA-N 317.432 2.383 0 40 DEAB C=CC(=O)N1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 585292620 PRQHXRCUJAQNEQ-NSHDSACASA-N 315.402 2.487 0 40 DEAB Cc1ccc(/C=C/S(=O)(=O)N(CC(N)=O)C2CCCC2)cc1 56067852 FXZFJISADNEGNQ-ZHACJKMWSA-N 322.430 2.025 0 40 DEAB O=C(CN1CCN(c2nccs2)CC1)Nc1ccc(F)cc1 57395888 GKVSCKFXLKJZJN-UHFFFAOYSA-N 320.393 2.043 0 40 DEAB COc1ccc(CCNC(=O)NCC[C@@H](O)C(C)(C)C)cc1 75157875 DRFSQQCYHSETEB-OAHLLOKOSA-N 308.422 2.334 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc(CNC(C)=O)s2)C1(C)C 75143292 OCRIWLOYUKNPLG-ZIAGYGMSSA-N 324.446 2.318 0 40 DEAB C[C@@H](C(=O)N1CCOCC1)N1CCC(Cc2ccccc2)CC1 37547716 AFNHYTROSHCHHP-INIZCTEOSA-N 316.445 2.188 0 40 DEAB Cc1ccc(CCNC(=O)c2nn(-c3ccccc3)cc2O)cn1 76083416 PPGLAUOZKYRYFK-UHFFFAOYSA-N 322.368 2.254 0 40 DEAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1OC 7078383 ZYCCRKQMIJWFNM-MJWAUXSNSA-N 304.346 2.395 0 40 DEAB CC(C)C(=O)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 12220019 LEGDXRYJFXDSFT-JTQLQIEISA-N 323.347 2.424 0 40 DEAB COc1ccc(N2C(=O)C[C@H](N3C[C@@H](C)C[C@@H](C)C3)C2=O)cc1 13450803 IYYCNRSLERBFNP-ZENOOKHLSA-N 316.401 2.305 0 40 DEAB CNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)cc2)cc1 14184506 IANOBPQPNPIUJP-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB O=C(c1cnccn1)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19346891 GUMFWIZYZGTWEL-CYBMUJFWSA-N 307.357 2.373 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 169682335 VFQUGKLWSURPCK-FGZZBPHYSA-N 323.348 2.031 0 40 DEAB O=S(=O)(Nc1nncs1)c1ccc(C(F)(F)F)cc1 153861292 SXHXWRCDBVTSGO-UHFFFAOYSA-N 309.294 2.358 0 40 DEAB C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccc2c(c1)OCO2 2638817 BCMCCUDAIFNFJN-ZDUSSCGKSA-N 324.380 2.483 0 40 DEAB O=S(=O)(C1CC1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 245170811 XHLOGYWFLXJDFE-CYBMUJFWSA-N 318.398 2.180 0 40 DEAB O=C1C[C@H](n2nc(-c3cccs3)oc2=S)[C@H]2CO[C@@H]1O2 6658558 DOSIJRZSYJTFCY-FMTFEUNWSA-N 310.356 2.189 0 40 DEAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(CC)nc3)C2)C1 2055837526 YKGFGBDOCVQSHY-WMZOPIPTSA-N 318.417 2.444 0 40 DEAB CSc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)cc1 352212771 BRWKOTWCGBPBIN-UHFFFAOYSA-N 315.398 2.481 0 40 DEAB CCc1nn2c(=O)cc(CNc3ccc(F)cc3)nc2s1 30284708 XJVOVKNUUWSXBE-UHFFFAOYSA-N 304.350 2.465 0 40 DEAB c1coc(CNc2nc3nonc3nc2NCc2ccco2)c1 33514 CJKDOKMUFJIOEB-UHFFFAOYSA-N 312.289 2.423 0 40 DEAB O=C(CN1CSCC1=O)N1CCC(Cc2ccccc2)CC1 40457635 ANUQKKJUEWWCDW-UHFFFAOYSA-N 318.442 2.001 0 40 DEAB Cc1cc(N2CCN(Cc3csc(C)n3)CC2)nc(C)n1 40497106 FMAASVLMSYJKDR-UHFFFAOYSA-N 303.435 2.181 0 40 DEAB O=C(O)c1cc(S(=O)(=O)NCc2ccco2)ccc1Cl 227721 IXMCXOSDMSMDJP-UHFFFAOYSA-N 315.734 2.110 0 40 DEAB COc1ccc(-c2cc(=O)n3nc(-c4cccnc4)nc3[nH]2)cc1 101319613 JUSQVAXGIWWTMJ-UHFFFAOYSA-N 319.324 2.155 0 40 DEAB Nc1ccc2c(c1)nc1n2CCN(Cc2ccc3c(c2)OCO3)C1 20739587 PCQBQHMWFDLPBS-UHFFFAOYSA-N 322.368 2.363 0 40 DEAB NC(=O)[C@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 32739738 VFMJSHFFZKICAN-GFCCVEGCSA-N 320.780 2.230 0 40 DEAB CSc1c(Cl)nc(NC(C)C)nc1N1CCN(C)CC1 1582 UMMYPDFDLDVDCZ-UHFFFAOYSA-N 315.874 2.424 0 40 DEAB in-man Cc1ccccc1OC[C@@H](O)CN1CCC[C@@H]1c1cnn(C)c1 69703859 CUTJOPGWDGFQAH-DLBZAZTESA-N 315.417 2.305 0 40 DEAB O=C(COc1ncnc2sc3c(c12)CCCC3)NC1CC1 2637716 NIXRICRTZWQKNA-UHFFFAOYSA-N 303.387 2.228 0 40 DEAB CCc1nc(CN2CCC[C@H](NCCc3cccs3)C2)no1 69742552 CXUMRIHMFGRMRC-ZDUSSCGKSA-N 320.462 2.490 0 40 DEAB O=C(CSc1nnnn1C1CCCCC1)NCc1ccco1 784680 KBNLOBOCCFTOIJ-UHFFFAOYSA-N 321.406 2.180 0 40 DEAB CC(C)n1ccc(CNC(=O)NC[C@H](O)c2ccsc2)n1 76018945 RQFOZAXYMXUPQX-ZDUSSCGKSA-N 308.407 2.058 0 40 DEAB CC1(C)SC(=S)N(Cc2ccc3c(c2)OCO3)[C@H]1NO 506771 ILJAJPVVJUEXRG-LLVKDONJSA-N 312.416 2.333 0 40 DEAB C[C@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)C[C@H]1N(C)C 78896642 LYVQQNOZMLTGGT-DOTOQJQBSA-N 316.445 2.143 0 40 DEAB COCCn1cc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cn1 78945111 CCJKEVJDXADVER-AWEZNQCLSA-N 321.764 2.125 0 40 DEAB CC(C)(C)[C@H](NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(N)=O 79073912 SKMBGZYKSVPJAY-GFCCVEGCSA-N 307.781 2.451 0 40 DEAB O=C(COC(=O)C1=COCCO1)Nc1cccc2ccccc12 2632339 PSWAYTSXADDDGK-UHFFFAOYSA-N 313.309 2.210 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 103447441 FKRQMCOSLYAQKU-GRYCIOLGSA-N 316.405 2.161 0 40 DEAB C[C@H]1CN(Cc2csc(NC(=O)C3CCC3)n2)C[C@H](C)O1 22325507 QQMNZXPHROMHOV-QWRGUYRKSA-N 309.435 2.491 0 40 DEAB CN(C)C(=O)CNC(=O)C1c2ccccc2Oc2ccccc21 7036977 WXJMKFGXTGUFIW-UHFFFAOYSA-N 310.353 2.129 0 40 DEAB CS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2F)c1 7944315 OQYWLBHTZKSRMS-UHFFFAOYSA-N 307.346 2.410 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1c2ccccc2C[C@@H]1O 53756141 DZNMUSXVWIXELA-NWDGAFQWSA-N 316.386 2.195 0 40 DEAB COc1ccc(NC(=O)NCc2ccc([C@H](C)O)cc2)cn1 53755834 TXKSZCMYWLEMCD-NSHDSACASA-N 301.346 2.465 0 40 DEAB C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 9232314 GWCUYAOIJGAIRF-NSHDSACASA-N 312.325 2.231 0 40 DEAB CCOC(=O)CNC(=O)c1ccc(COc2ccc(C)cc2)o1 57301321 APRFCJYRJFHFGV-UHFFFAOYSA-N 317.341 2.460 0 40 DEAB NC(=O)[C@H](NCc1ccccc1Cn1cccn1)c1ccccc1 26225645 HMFBFWMCRMDGOZ-GOSISDBHSA-N 320.396 2.248 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1CCOc1ccc(F)cc1 35334075 ROTJHWVYSMFHAT-KRWDZBQOSA-N 314.360 2.117 0 40 DEAB Oc1nnc(-c2ccccc2)c2sc(N3CCOCC3)nc12 26421188 MQYXXOOWTVYGRR-UHFFFAOYSA-N 314.370 2.296 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)C2)c1 69878236 HUGYJRMUIIMGMT-WBVHZDCISA-N 311.385 2.359 0 40 DEAB COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 58818021 QGVSURIPGVOANP-UHFFFAOYSA-N 319.382 2.260 0 40 DEAB COC(=O)c1cccc(OCC(=O)NCCc2cccs2)c1 44869478 WNHHBZRBXFWCDC-UHFFFAOYSA-N 319.382 2.272 0 40 DEAB Cc1noc([C@H](C)NC(=O)COCc2ccccc2Cl)n1 58344019 YZULMOSOLBCVPP-VIFPVBQESA-N 309.753 2.425 0 40 DEAB CC1(C)NC(=O)N(CCN2CCC[C@@H]2c2cccs2)C1=O 28081675 IRBZPKWBPRQSBT-LLVKDONJSA-N 307.419 2.215 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCC(n2ccnc2)CC1 58407093 VOMWIUHVCPYIQW-UHFFFAOYSA-N 311.389 2.330 0 40 DEAB O=C(O)c1ccccc1-c1ccc([C@H]2NC[C@@H](C(=O)O)S2)o1 408975333 AIZABBNEXDLDDS-STQMWFEESA-N 319.338 2.433 0 40 DEAB O=C(NCCc1ccc(OC(F)(F)F)cc1)c1cnccn1 48344171 OIQHQXWVHSSZSM-UHFFFAOYSA-N 311.263 2.348 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCOCC1 12855332 SAEIFNBPJIQIFX-MRXNPFEDSA-N 307.434 2.364 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccccc1Cl 12915920 GYJDCDUYZKKEHD-SNVBAGLBSA-N 320.828 2.366 0 40 DEAB CC1CCN(C(=O)COC(=O)Cc2noc3ccccc23)CC1 18965303 ACVFTBGOYOZFJI-UHFFFAOYSA-N 316.357 2.172 0 40 DEAB CCOC(=O)c1csc(NC(=O)COc2ccccc2)n1 4075787 MFBYHISZJXVBKA-UHFFFAOYSA-N 306.343 2.337 0 40 DEAB Cc1noc(C)c1C[S@@](=O)[C@H](C)C(=O)NCc1ccccc1 71858916 DQGOCTZWEZNPLB-DMZKTXOQSA-N 320.414 2.245 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 6328816 SIRCGCMPFGQRGM-WFASDCNBSA-N 324.446 2.245 0 40 DEAB c1ccc(Cn2cc(Cn3nnc(-c4ccccc4)n3)nn2)cc1 4618957 YGOIQOMWJHTXSL-UHFFFAOYSA-N 317.356 2.028 0 40 DEAB FC(F)(F)c1ccccc1Cc1nc([C@H]2COCCN2)no1 96001499 GRJIKGWWVBGZJW-LLVKDONJSA-N 313.279 2.340 0 40 DEAB CSc1ccc(NC(=O)N[C@@H](C)C[S@@](C)=O)cc1F 96010585 MQUIWTZDMWKXIT-RLBGWGEZSA-N 304.412 2.436 0 40 DEAB Cc1cc(=O)oc2ccc(Oc3ncnc(N)c3[N+](=O)[O-])cc12 26802655 JCZWPVNINORYKY-UHFFFAOYSA-N 314.257 2.174 0 40 DEAB COc1ccc(C2=NN[C@@]3(C2)C(=O)Nc2ccccc23)cc1OC 9305606 ALYAIVJEQXOUMC-GOSISDBHSA-N 323.352 2.249 0 40 DEAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3)ccc2N1 7373226 RTPXABNFEAQRCM-UHFFFAOYSA-N 302.355 2.372 0 40 DEAB COc1ccccc1OCC(=O)NC[C@H](c1ccco1)N(C)C 15831448 XYGCDEZTAVFTIQ-CYBMUJFWSA-N 318.373 2.086 0 40 DEAB C[C@@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 7943168 KOQXQKMFBYIYNE-LBPRGKRZSA-N 307.353 2.457 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2F)nc1 69493715 YSZNALPMRMOPNM-UHFFFAOYSA-N 301.321 2.288 0 40 DEAB Cc1ccc(C(=O)NCCC[S@@](C)=O)c(Br)c1 96484402 BTROVIFIFQBHPG-KRWDZBQOSA-N 318.236 2.256 0 40 DEAB CO[C@@H]1CCCC[C@H]1NC(=O)NCCCc1c(C)noc1C 96461021 IIGDWLZIIVKZJN-HUUCEWRRSA-N 309.410 2.481 0 40 DEAB COC(=O)[C@H](CNC(=O)Nc1cc(C)on1)c1cccc(C)c1 69655444 RBNANWWRKWSUME-CYBMUJFWSA-N 317.345 2.370 0 40 DEAB CCCN(CCC)C[C@@H](O)COCc1ccc2c(c1)OCO2 9550247 XDSPJPAKJQDQNP-OAHLLOKOSA-N 309.406 2.415 0 40 DEAB Cc1ccoc1C(=O)N1CCc2c(sc3ncnc(N)c23)C1 9721393 XAQLTKALDYAGPN-UHFFFAOYSA-N 314.370 2.373 0 40 DEAB Cn1cc(CCC(=O)NC[C@H]2C[C@]23CCc2ccccc23)cn1 84318320 FIOIZZAVUZMBKW-VQIMIIECSA-N 309.413 2.373 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)CCCn3cncn3)C2)n1 72298771 YHBGFLCDEFCXTH-CYBMUJFWSA-N 319.434 2.229 0 40 DEAB O=C(CCCOc1ccccc1)N1CCC[C@@H](n2cncn2)C1 72272219 MHEDHBSEABHCSE-OAHLLOKOSA-N 314.389 2.301 0 40 DEAB CS[C@@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1=O 72286476 ATZYLYGIKONNSA-GWCFXTLKSA-N 310.394 2.189 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@H](c1ccccc1)N1CCCC1 72255113 PYOZJMPLVYQFRS-AEFFLSMTSA-N 324.428 2.151 0 40 DEAB C[C@H](SCc1cccc(C(=O)NCc2ccco2)c1)C(N)=O 72275814 OEUNABGLSFBXOQ-NSHDSACASA-N 318.398 2.317 0 40 DEAB COc1ccc([C@H](NCc2cnn(C)c2)c2nccn2C)cc1 97197996 JSUJOOQACFDXRV-INIZCTEOSA-N 311.389 2.041 0 40 DEAB C[C@@H](OC(=O)[C@]1(C)CCCO1)c1ccc(-n2cncn2)cc1 95450011 WOXLCCBFLIHCEN-WBMJQRKESA-N 301.346 2.441 0 40 DEAB CC(C)(C)C(=O)N[C@@H]1CCc2nnc(Cc3ccccc3)n2C1 95998217 ZZHNYRCAEUKEIU-CQSZACIVSA-N 312.417 2.346 0 40 DEAB C[C@@H](NC(=O)NC[C@H](O)C1CC1)c1cccc(-n2cccn2)c1 74939662 YOPLYNKBEIZCRH-WBMJQRKESA-N 314.389 2.003 0 40 DEAB COc1c(F)cc(NCC(=O)Nc2cc(C)nn2C)cc1F 75103430 DGAKMQUAAZVJQL-UHFFFAOYSA-N 310.304 2.066 0 40 DEAB C[C@@H](NC(=O)[C@@H](C)N(C)CC1(O)CCCC1)c1ccccc1 89905494 FAHXYRCMURWCTB-HUUCEWRRSA-N 304.434 2.489 0 40 DEAB CC(C)(C)c1ccc(C[C@H]2SC[C@@H](C(=O)O)NC2=O)cc1 62712298 JTJPKLNWYNHNRI-QWHCGFSZSA-N 307.415 2.211 0 40 DEAB Cc1oc(C(C)C)cc1C(=O)N(CC(=O)O)C1CCOCC1 520337659 QIMKBWMCEHWQEW-UHFFFAOYSA-N 309.362 2.417 0 40 DEAB O=c1c2cnc(N3CCCCC3)nc2ccn1Cc1ccco1 39383847 JCHJZTGIEAAICK-UHFFFAOYSA-N 310.357 2.423 0 40 DEAB 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40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C)CC2)cc1 32914291 FJZJPCVRACBLGI-LRDDRELGSA-N 315.417 2.105 0 40 DEAB Cc1cc(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)no1 21835537 HLNUCMCXVCGRCJ-LLVKDONJSA-N 312.333 2.446 0 40 DEAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)N1CCCC1 2644673 NMYXDWLWTSBUNK-JTQLQIEISA-N 304.371 2.464 0 40 DEAB CCNC(=O)Cn1nc2c3c(cccc31)C(=O)c1ccccc1-2 141262 IRFWCVNQUFUUKS-UHFFFAOYSA-N 305.337 2.384 0 40 DEAB CNC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 555133 SMMOPZNPKMEYNQ-UHFFFAOYSA-N 318.398 2.180 0 40 DEAB CN(C)C[C@@H](O)COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 79066704 RHJLKACHRFFORA-GOEBONIOSA-N 318.417 2.283 0 40 DEAB COc1ccc(C(=O)CCN[C@H](CCSC)C(=O)O)cc1 2922235 CSUZLVGOKVSCKH-CYBMUJFWSA-N 311.403 2.064 0 40 DEAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCc1ccco1 8300488 GUEKJIOOTWPGOA-MELADBBJSA-N 307.463 2.364 0 40 DEAB biogenic,in-vitro C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)OCCCO2 47594217 ZZYKSZXRBMZIJY-TZMCWYRMSA-N 320.389 2.387 0 40 DEAB Cc1nccc(CNC(=O)N[C@H]2CCc3c(F)cccc32)n1 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DEAB NC(=O)c1cccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)c1 9389636 YHWVDYNAHFEPQL-UHFFFAOYSA-N 318.716 2.420 0 40 DEAB CCc1cc(N2CCC(NC(=O)C[C@@H]3C=CCC3)CC2)ncn1 96450157 XKPZSQOLDFPQPJ-CQSZACIVSA-N 314.433 2.480 0 40 DEAB O=C(OCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)nc1 7978926 PEROFUHHKMJSGA-UHFFFAOYSA-N 316.700 2.146 0 40 DEAB CN1CCCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 8178088 GRPHXBFGQMYZKT-UHFFFAOYSA-N 318.808 2.028 0 40 DEAB COC(=O)c1ccc(OC[C@H](O)CN2CCCCCC2)cc1 26781716 RIENPVUVSQWIPH-OAHLLOKOSA-N 307.390 2.089 0 40 DEAB CNC(=O)[C@H]1Sc2nnc(CCC3CCCCC3)n2N=C1C 8315749 GLVLOIWICYIYGI-ZDUSSCGKSA-N 321.450 2.235 0 40 DEAB O=C(O)CCCCNC(=O)Cc1ccc(Br)cc1 70197727 SBBHXJQHNNBEFX-UHFFFAOYSA-N 314.179 2.363 0 40 DEAB Clc1ccc2c(c1)C=C(CN[C@H]1CCc3ncnn3C1)CO2 69491706 RSJICKATCZJSKS-AWEZNQCLSA-N 316.792 2.312 0 40 DEAB CCC[C@H](C)NC(=O)CCn1cc(Br)ccc1=O 71821474 NQXLPKKTTOWHLA-JTQLQIEISA-N 315.211 2.306 0 40 DEAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)[C@H]1C[C@@H]1c1ccccc1 71823350 HXMXMGXEIJCIFU-APHBMKBZSA-N 315.417 2.086 0 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Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2NC[C@H](C)O)cc1 186212201 WNOOPIIJSASNCD-NUEKZKHPSA-N 311.447 2.050 0 40 DEAB O=C(CCc1c[nH]c2ccccc12)NCC1(O)CCSCC1 75120725 PTJHHOKNXFUOHR-UHFFFAOYSA-N 318.442 2.475 0 40 DEAB CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)[C@H](C)CC 77844517 GXDGWVOGHIEXBB-PXAZEXFGSA-N 306.406 2.101 0 40 DEAB c1nc(NC2CC2)cc(N2CC[C@H](c3nc(C4CC4)no3)C2)n1 567379365 ABNOJYYMXJYVBF-NSHDSACASA-N 312.377 2.305 0 40 DEAB Cc1nc([C@@H]2CN(c3ncccc3C)CCO2)cc(N(C)C)n1 72387753 ARSHMTHKEPFPJZ-HNNXBMFYSA-N 313.405 2.132 0 40 DEAB O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCCN1 72352972 JTYGNQCFAOXTME-LBPRGKRZSA-N 318.442 2.308 0 40 DEAB COC[C@@H](C)NC(=O)CN(C)c1nc2c(F)cccc2s1 70973538 ZXWYOUPVZPUYES-SECBINFHSA-N 311.382 2.023 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H](C)Cn1cncn1 78323471 ARPAMHMJBFNEPW-RWMBFGLXSA-N 311.455 2.030 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)CN 79409323 WLGVPGAFQHBHQX-STQMWFEESA-N 313.442 2.018 0 40 DEAB Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1nc(C3CC3)no1)C2 79782544 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C[C@H](NC(=O)Cc1cccc(Br)c1)c1ncon1 97233065 VGPTZVZRYLDYHA-QMMMGPOBSA-N 310.151 2.252 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(c1nc(C(C)C)ns1)CC2 96455795 DTGVKFVTQUFWEG-NWDGAFQWSA-N 311.451 2.418 0 40 DEAB CCOC[C@H]1CN(C(=O)c2ccco2)Cc2cnn(CC)c21 96198347 XZUPLGDSNNLATG-CYBMUJFWSA-N 303.362 2.272 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC[C@@H](CO)C1 96503330 DRNPSSDMYOCHNS-TZMCWYRMSA-N 322.453 2.421 0 40 DEAB CCN(CC(=O)O)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 242437289 BWQNWBDCOFASJV-VXGBXAGGSA-N 300.399 2.229 0 40 DEAB COC[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C 248010472 DSHGVWCZWOSZBT-GFCCVEGCSA-N 303.362 2.016 0 40 DEAB O=C1CCCN1C[C@@H]1CN(Cc2cccs2)Cc2cncn21 247855233 JJZBBXOVMYLJIM-AWEZNQCLSA-N 316.430 2.124 0 40 DEAB CC(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)n(C)n1 257339349 ZBILNSQPXOVMLO-PTOXDTDZSA-N 316.449 2.289 0 40 DEAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2[nH]cnc2C)nc1 257282949 OWAKBJQIRZLRTF-QGZVFWFLSA-N 313.405 2.086 0 40 DEAB CCN[C@H]1CCOC2(CCN(C(=O)c3scnc3C)CC2)C1 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Cc1cccc(C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c1 17852378 WEDGAVHGSGDBSD-GFCCVEGCSA-N 318.398 2.133 0 40 DEAB Cn1c(CN2CCN(C3CCCC3)C(=O)C2)nc2ccccc21 19656987 RAKMCXOPAZSHKO-UHFFFAOYSA-N 312.417 2.160 0 40 DEAB CC[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(c2ccccc2F)C1 152453289 SBLOQKGKCFJBDT-CXAGYDPISA-N 323.412 2.255 0 40 DEAB CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nc2ccccc21 8807548 YXTRFDGPSZNLJW-LBPRGKRZSA-N 320.418 2.368 0 40 DEAB Cn1cnc(S(=O)(=O)N(Cc2ccco2)C2CC2)c1Cl 27978672 OYZFNCYDYBORCK-UHFFFAOYSA-N 315.782 2.020 0 40 DEAB CN(C)C(=O)NC1CC2(CCN(C(=O)c3cccc(F)c3)C2)C1 1565550518 CBWLIDXTLXDSSM-UHFFFAOYSA-N 319.380 2.092 0 40 DEAB O=C(c1cc[nH]c1)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 1565554756 ZFVPMIFYHALBMK-NUEKZKHPSA-N 304.390 2.061 0 40 DEAB CCC(=O)N1CCc2ccc(NS(=O)(=O)C(C)C)cc2C1 8976999 YNSBESFCLAFHCC-UHFFFAOYSA-N 310.419 2.131 0 40 DEAB COc1ccc(-c2cc(C(=O)NCCc3c[nH]cn3)on2)cc1 12371014 SIJQFFOFLDALRW-UHFFFAOYSA-N 312.329 2.046 0 40 DEAB CN(C)Cc1noc2c1C[C@@H](NC(=O)CC1CCCC1)CC2 2055730109 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CCc1cc(NCc2cccc(CN(C)C)c2)n2ncnc2n1 51905915 DOZCTSCSYXKEDB-UHFFFAOYSA-N 310.405 2.360 0 40 DEAB CN1CCc2c(c(NCc3ccccc3)nc3[nH]nc(N)c23)C1 55285 QAMJZEHUFZWIEF-UHFFFAOYSA-N 308.389 2.140 0 40 DEAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 21910964 DIBNSBBNFJYENQ-JTQLQIEISA-N 324.427 2.195 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1ccc(Br)cc1 175783 CYRVLMAAJHPIPQ-UHFFFAOYSA-N 322.118 2.190 0 40 DEAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2cnc(C3CC3)nc2)C1 103088219 RVDFKSJGJYQFHV-CYBMUJFWSA-N 316.405 2.331 0 40 DEAB CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 582144 HWOZAVLNRZTIDD-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB COC[C@H](NC(=O)N[C@H]1CCN(C2CCCC2)C1)c1ccco1 76094030 DUXIANNVZZEZLR-ZFWWWQNUSA-N 321.421 2.283 0 40 DEAB CCCc1noc([C@H](C)N[C@H]2CCN(C(=O)CC)C[C@@H]2C)n1 78896827 UHEVMBATJAAUEU-AVGNSLFASA-N 308.426 2.320 0 40 DEAB O=C(NC[C@@H](O)c1ccsc1)C1=Cc2ccccc2OC1 79066282 JKQXCYYBRDORIX-CQSZACIVSA-N 301.367 2.374 0 40 DEAB CCc1ccc(C(C)(C)CNC(=O)CO[C@H]2CCOC2)cc1 79645715 ZXMXJRWNCLOLBX-INIZCTEOSA-N 305.418 2.448 0 40 DEAB C[C@@H]1[C@@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccccc1 4020776 FVKZTBYVXUIROP-UNQGMJICSA-N 316.405 2.053 0 40 DEAB CN(C)[C@@H](CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 4280197 IBEGUZRFTMJLBU-JTQLQIEISA-N 305.161 2.337 0 40 DEAB O=C(NCCNC(=O)c1nc2ccccc2s1)c1ccco1 22500827 BFIJCTPTXWBVNV-UHFFFAOYSA-N 315.354 2.049 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1ccnc(-n2cncn2)c1 53760969 HMSFWJGMRYEIRW-LBPRGKRZSA-N 311.345 2.006 0 40 DEAB Cc1ccccc1CN1CCN(Cc2ccc(C(N)=O)cc2)CC1 23249119 XKUPEVXKOPTZPN-UHFFFAOYSA-N 323.440 2.412 0 40 DEAB CC(C)COC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 8734854 XNTBHWWWNJTTPV-UHFFFAOYSA-N 300.380 2.141 0 40 DEAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)COc1ccccc1 24210646 KSSCIZDIXBRYRO-AWEZNQCLSA-N 317.385 2.136 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 9482567 GHPBNYOXXPAOQR-JTQLQIEISA-N 315.329 2.192 0 40 DEAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@H]1C[C@H]2CC[C@H]1C2 105938626 BCGSGJOGSMNDAM-OBJOEFQTSA-N 321.446 2.350 0 40 DEAB Cc1cccnc1CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 106229848 HRYAHHJNTPNUND-GFCCVEGCSA-N 318.398 2.192 0 40 DEAB CCOC(=O)Cc1csc(NC(=O)C(C)(Cl)Cl)n1 3193479 FSZSXVQXCFLGGY-UHFFFAOYSA-N 311.190 2.381 0 40 DEAB CC(=O)c1ccc(N2CCN(C(=O)NCC3CC3)CC2)c(F)c1 25085620 DDMKQIGDJKEDKH-UHFFFAOYSA-N 319.380 2.270 0 40 DEAB COc1ccc(CC(=O)O)cc1S(=O)(=O)Nc1ccccc1 57115507 QFDRVFHMIIVQNQ-UHFFFAOYSA-N 321.354 2.123 0 40 DEAB O=C(OC[C@@H]1[C@H](COC(=O)C2CC2)C1(Cl)Cl)C1CC1 12559516 LXROGSZAJRCUFI-AOOOYVTPSA-N 307.173 2.313 0 40 DEAB CCC(O)(CC)CNC(=O)N[C@@H](C)COc1ccccc1F 57618537 NLVPETUZZQTSSO-LBPRGKRZSA-N 312.385 2.443 0 40 DEAB C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccc(O)c(Cl)c2)C1 58218207 QYGYEMCSCKNCIG-LLVKDONJSA-N 324.808 2.424 0 40 DEAB Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2CC2)N2CCOCC2)o1 44951793 LJHJOHWRJAXQJA-DZGCQCFKSA-N 321.421 2.059 0 40 DEAB COC(=O)[C@@H](C)CN(C)C(=O)c1cnc(-c2ccccc2)nc1 58342929 RSTGYCGYRLXDER-LBPRGKRZSA-N 313.357 2.025 0 40 DEAB C[C@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccncc1 58332335 WPSXNEMNWKEHBV-ZDUSSCGKSA-N 313.357 2.185 0 40 DEAB CC1(C)C[C@H](NCCn2cnc3ccsc3c2=O)C(C)(C)O1 119894785 YCGYLFDDYSWESY-LBPRGKRZSA-N 321.446 2.394 0 40 DEAB Cc1onc(-c2ccccc2)c1C(=O)NCc1nnc2n1CCC2 36398172 LIRINLIGBVDEFB-UHFFFAOYSA-N 323.356 2.118 0 40 DEAB Cc1[nH]c2ccccc2c1CC(=O)N[C@@H](C(N)=O)c1ccccc1 45308237 DXLAXVOTBCPHMK-GOSISDBHSA-N 321.380 2.362 0 40 DEAB C[C@H]1CN(C(=O)CCc2nnc(-c3ccccc3)o2)[C@H](C)CO1 45448392 IRTKOCWGDFMKAR-OLZOCXBDSA-N 315.373 2.305 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nn1cnc2ccccc21 27044089 AJMZGIDWOQGHQN-MEDUHNTESA-N 309.325 2.335 0 40 DEAB Cc1cc(C)cc(NS(=O)(=O)c2cccn3cnnc23)c1 62592015 VMRUHQCIHNLCHD-UHFFFAOYSA-N 302.359 2.147 0 40 DEAB C[C@@H]1CN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CCO1 8938631 IMQNFTNBVSXBSG-CYBMUJFWSA-N 311.385 2.222 0 40 DEAB COc1cccc([C@@H](CC(=O)O)CC(CC(=O)O)CC(=O)O)c1 4178623 DNURMAVVMAOKCH-GFCCVEGCSA-N 324.329 2.209 0 40 DEAB CN(C)C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 65592606 JNSUNNPIZYHPDR-UHFFFAOYSA-N 302.231 2.127 0 40 DEAB CN(CC(=O)NC1CC1)C(=O)NCC12CC3CC(CC(C3)C1)C2 14184147 FXISGVDSUIXCQD-UHFFFAOYSA-N 319.449 2.123 0 40 DEAB CC(C)(C)NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 15175691 OQENZSUXNQUEER-UHFFFAOYSA-N 304.177 2.033 0 40 DEAB COC(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)n1 67106517 ZUYRSEUBFAQGCI-IUODEOHRSA-N 314.316 2.293 0 40 DEAB CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7860109 CVKWCBFNGHQZMH-UHFFFAOYSA-N 317.414 2.348 0 40 DEAB COc1cccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c1 7943342 QFSFVCLOKWPTTC-UHFFFAOYSA-N 305.355 2.351 0 40 DEAB O=C(OCc1nc2ccsc2c(=O)[nH]1)c1ccc(Cl)nc1 8231107 FKGATNROAKKHDT-UHFFFAOYSA-N 321.745 2.390 0 40 DEAB CCONC(=O)c1ccc(C)c(I)c1 69454432 QEMSZWMVBBGIMO-UHFFFAOYSA-N 305.115 2.281 0 40 DEAB O=S1(=O)CC[C@H](Nc2ncnc3sc4c(c23)CCCC4)C1 8401300 SVFHHBWBTKTADA-VIFPVBQESA-N 323.443 2.169 0 40 DEAB CC[C@]1(C)NC(=O)N(NC(=O)Nc2cccc(Cl)c2)C1=O 8428417 VKXYYVUXGLEPMX-ZDUSSCGKSA-N 310.741 2.097 0 40 DEAB CC(C)c1nc2c(n1C)CCN([C@H](C(N)=O)c1ccccc1)C2 69626675 BRPPMNRAYGMFGC-INIZCTEOSA-N 312.417 2.128 0 40 DEAB CN(CCN1CCCCC1)Cc1ccnn1[C@@H]1CCCCO1 22916164 STTNLKPRPHQFDP-KRWDZBQOSA-N 306.454 2.500 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3nc(C)nn3C2)cc1 69927968 WYBVIKLENPKYCR-MRXNPFEDSA-N 322.416 2.390 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccc(C)s1)C2 71864859 ULRFMCLOZPGWTM-VXGBXAGGSA-N 316.430 2.356 0 40 DEAB CCc1nc(NS(=O)(=O)c2ccc(F)c(Cl)c2)no1 97047040 NSBIHTNHTFGERR-UHFFFAOYSA-N 305.718 2.225 0 40 DEAB Cc1nc2c(s1)[C@@H](NC(=O)NCCCn1ccnc1)CCC2 97053077 DGUPPJYKMUGQSY-ZDUSSCGKSA-N 319.434 2.415 0 40 DEAB COc1ccc(NC(=O)N2CCC(OCCN(C)C)CC2)cc1 72280930 HNTPSBZOOCJTEP-UHFFFAOYSA-N 321.421 2.270 0 40 DEAB CC[C@@H](C)c1cc(C(=O)N2CCC[C@H](n3cncn3)C2)on1 72295669 WZGKNZVVYKEDCI-NEPJUHHUSA-N 303.366 2.257 0 40 DEAB CC(=O)NCCCNC(=O)Nc1cc(Cl)ccc1N(C)C 72290973 DBGPLUFLSMNVFJ-UHFFFAOYSA-N 312.801 2.054 0 40 DEAB CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)c1ccc(C(N)=O)cc1 72287923 DLCLQURJDDZGDF-LSDHHAIUSA-N 318.417 2.357 0 40 DEAB C[C@@H](CO)[C@@H](C)NCc1cn(-c2ccc(F)c(Cl)c2)nn1 97370336 YXHHMUOMEABXBE-VHSXEESVSA-N 312.776 2.166 0 40 DEAB O=C(NC[C@H](O)CO)Nc1sc2ccccc2c1Cl 84587794 RBLSJHQBWFLAFX-ZETCQYMHSA-N 300.767 2.029 0 40 DEAB O=C(NCC(=O)N1CCCc2ccccc21)[C@@H]1C[C@H]1c1ccco1 84581947 GXHQGDBGWGMEEH-HUUCEWRRSA-N 324.380 2.479 0 40 DEAB C[C@@H]1CN(C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)C[C@@H]1N(C)C 84714257 FQXBPCJXDRBUJY-DGFSRKRXSA-N 308.809 2.052 0 40 DEAB CC[C@H]1CN(C(=O)NCCc2nccn2C(F)F)C[C@@H](C)O1 84735510 GWQCQWTXBPJVSC-MNOVXSKESA-N 316.352 2.030 0 40 DEAB O=C(CN1CCC[C@H]1CO)Nc1ccc2nc(C3CC3)oc2c1 95453205 MJMZWDQGJGYPMS-ZDUSSCGKSA-N 315.373 2.100 0 40 DEAB CC(=O)N1CC[C@H](NC(=O)[C@H](O)c2ccccc2)c2ccccc21 95441644 NRQNKBNWUFOPNM-FUHWJXTLSA-N 324.380 2.334 0 40 DEAB Cc1cc(NCCN[C@H]2CCCCC2(C)C)n2ncnc2n1 95457180 MYORVHOFFXBSCZ-ZDUSSCGKSA-N 302.426 2.403 0 40 DEAB CNC(=O)[C@@H]1CCCCN1C(=O)CCCOCc1ccccc1 89385931 DVNYKEOMDROJPR-INIZCTEOSA-N 318.417 2.111 0 40 DEAB Cc1cc(CNC(=O)c2ccc(C)[nH]c2=O)c2ccccc2n1 75119752 XNSQHMHQQYFKFI-UHFFFAOYSA-N 307.353 2.470 0 40 DEAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1 20431836 HJMLJFJRNBDQLM-UHFFFAOYSA-N 304.371 2.464 0 40 DEAB O=C(NC[C@@H](O)C1CCOCC1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 110605154 WFJWLLJFWMFTBG-OWCLPIDISA-N 323.820 2.347 0 40 DEAB CC(=O)c1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(F)c1 170855094 QNVCRUAJNVDYNB-PHIMTYICSA-N 309.337 2.043 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)O)C(C)(C)S[C@H]21 2125887 GYHAWRDFSMFCKS-WCQYABFASA-N 323.370 2.137 0 40 DEAB biogenic Cc1noc(C)c1CC(=O)NC[C@@H](O)c1ccc(Cl)s1 75273838 SFFMISRCAYQKHU-SNVBAGLBSA-N 314.794 2.399 0 40 DEAB CN(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Cc1ccc(F)cc1 189182560 HJVWXLDBCAUEBT-IYBDPMFKSA-N 316.376 2.209 0 40 DEAB CCOc1cc(N[C@@H]2CCN(c3ncccc3F)C2)ncn1 126867149 BZOQLKGFXWCRGQ-LLVKDONJSA-N 303.341 2.100 0 40 DEAB Cc1cccc(Cn2cc(NC(=O)CCCC(=O)O)cn2)c1 32610063 XXOKSIOZOKMISR-UHFFFAOYSA-N 301.346 2.433 0 40 DEAB O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)C1CCOCC1 560516441 QVMFFCPQAODNQK-SHTZXODSSA-N 303.406 2.348 0 40 DEAB O=C(Cc1cccs1)NCCn1ccnc1-c1ccccn1 217859787 JDJPGJBDLKZJBW-UHFFFAOYSA-N 312.398 2.366 0 40 DEAB Cc1cc(S(=O)(=O)NC[C@H](O)Cc2ccccc2)ccc1F 70639309 XVDDMSBBZVOFTP-CQSZACIVSA-N 323.389 2.016 0 40 DEAB O=C(NCCc1cc2ccc(F)cc2[nH]c1=O)c1ccco1 49597370 YKEUXIYODAAPRX-UHFFFAOYSA-N 300.289 2.233 0 40 DEAB O=C(CCc1nc(-c2cccs2)no1)NCc1ccncc1 41184160 XJSUIGGHCWILMH-UHFFFAOYSA-N 314.370 2.442 0 40 DEAB Cc1nn(C)c2cn([C@@H](C)C(=O)NCc3cccc(F)c3)nc12 40715055 IADXYSVLKOPCJF-NSHDSACASA-N 315.352 2.095 0 40 DEAB CSC[C@@](C)(O)CNC(=O)COc1ccc2ccccc2c1 75157266 MGLXTQFAMOSFRL-KRWDZBQOSA-N 319.426 2.449 0 40 DEAB Cc1cc(Br)cnc1NC(=O)c1cc[n+]([O-])cc1 46085533 LTIIVNNPRIOUCZ-UHFFFAOYSA-N 308.135 2.038 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1cc2cccc(Cl)c2oc1=O 226039117 SKTUIEIOMOJXIU-JTQLQIEISA-N 307.733 2.355 0 40 DEAB O=S(=O)(Cc1ccc(CO)cc1)C[C@@H](O)C1CCCCC1 195578227 KXIYIHFRWLVHHB-MRXNPFEDSA-N 312.431 2.035 0 40 DEAB O=C(O)[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 95477704 FNEBDBOHNCPWTR-SECBINFHSA-N 317.736 2.114 0 40 DEAB CC(=O)N(C)c1ccc(OC(=O)c2c(C)nn(C)c2C)cc1 96431547 LEAHLKQCCJUFPE-UHFFFAOYSA-N 301.346 2.239 0 40 DEAB Cc1cccc(CC(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 96422467 KRYHDKCHMXGSJR-JKSUJKDBSA-N 323.458 2.352 0 40 DEAB CC[C@@H](C(=O)N[C@H](C)c1cnn(C(C)C)c1)N1CCCC1=O 95405590 LVFMOBRQGIBAGL-OCCSQVGLSA-N 306.410 2.042 0 40 DEAB CC(=O)N1CC(NC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)C1 92945903 OXMVLOJHWJTSRE-NSHDSACASA-N 308.809 2.256 0 40 DEAB COCC[C@H]1CCOC2(C1)CN(Cc1cccnc1OC)C2 247837946 JTFLQLOKUJPIIS-AWEZNQCLSA-N 306.406 2.108 0 40 DEAB Cc1cc(O)nc([C@@H](C)N2CCO[C@@H](c3nc(C)cs3)C2)n1 248794264 YLEUWIYKNQRDOC-VXGBXAGGSA-N 320.418 2.390 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCCN1CCCC1=O 257257096 KOCHUWDZHSJMTA-AWEZNQCLSA-N 318.421 2.174 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCCC[C@H]2CNCC[C@H]21 257336087 YNCDEXZMERTEDB-DZGCQCFKSA-N 316.401 2.062 0 40 DEAB Cc1cnc(CNC(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)o1 252479996 BRIPOVHWIRGSAX-LBPRGKRZSA-N 321.283 2.071 0 40 DEAB CC(C)(CO)NC[C@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531664 NMPWWLKZCVZQAN-ATNYBXOESA-N 313.482 2.329 0 40 DEAB C[C@H](C(=O)Nc1ccccn1)n1cc(COc2ccccc2)nn1 257173366 LLGGVKIKZGGKSY-CYBMUJFWSA-N 323.356 2.452 0 40 DEAB O=S(=O)(Cc1ccc(F)cc1)NCC[C@H](O)c1ccccc1 85436471 QWFMLZMODSNYIR-INIZCTEOSA-N 323.389 2.369 0 40 DEAB O=C(NCCc1ccc(C2CCCCC2)cc1)[C@@H]1CNCCO1 662620531 LYYSXIYGPLBEEQ-SFHVURJKSA-N 316.445 2.381 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1C1CC1 63843598 KYZQCFIBYBCAOC-GWCFXTLKSA-N 303.406 2.166 0 40 DEAB O=C1NCCCC[C@@H]1Nc1nccc(Oc2ccc(F)cc2)n1 65512902 PCZDWMATTHVABW-ZDUSSCGKSA-N 316.336 2.489 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C 79014606 RTZRGRGFBMSGEF-FRRDWIJNSA-N 318.483 2.276 0 40 DEAB CC(C)CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 39975001 XVAHHWIWCVKSQR-UHFFFAOYSA-N 322.474 2.138 0 40 DEAB Cc1ccnc(N2CCN(Cc3ccc(F)cc3F)CC2)n1 1204213280 PSMHRNSXJVEOPJ-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB O=C(O)CSCCN1C(=O)c2cccc3cccc(c23)C1=O 5583056 UXUSNJSOSQLSSX-UHFFFAOYSA-N 315.350 2.254 0 40 DEAB COc1ccc2c(=O)c(NC(=O)NCc3ccncc3)c[nH]c2c1 13566020 PMHLYYIPXWOFSU-UHFFFAOYSA-N 324.340 2.253 0 40 DEAB Cc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCC1 13583008 VAQMZHHYXHEPSU-UHFFFAOYSA-N 324.446 2.308 0 40 DEAB O=C(Nc1cccc2cccnc12)c1cccc(-n2cnnn2)c1 14135776 WFXWESXSCSZOSV-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB CCCCN1C(=O)/C(=C\c2ccc(OC)c(O)c2)NC1=S 14190473 BYXHZCBHUYGOOW-DHZHZOJOSA-N 306.387 2.259 0 40 DEAB O=C(O)C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1 16789704 VUTFVHMWCWAPSH-UHFFFAOYSA-N 306.406 2.461 0 40 DEAB O=C(C1CCCC1)N1CCc2nc([C@H]3CCCNC3)ncc2C1 19292362 KLVULISELMEJET-AWEZNQCLSA-N 314.433 2.019 0 40 DEAB Cc1ncsc1-c1nnc(CNC(=O)c2cccs2)o1 19563310 NSLGIGRJDXUDKE-UHFFFAOYSA-N 306.372 2.493 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)c1ccc(=O)n(C)n1 9455517 KWQRLJROZYWKEH-UHFFFAOYSA-N 307.737 2.003 0 40 DEAB CC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 4463983 QXZNXLZNGCAVLV-LJQANCHMSA-N 322.364 2.265 0 40 DEAB c1nc(N[C@H]2CCN(C3CCOCC3)C2)cc(C2CCC2)n1 1889064747 YASIDBUXIYRAPC-AWEZNQCLSA-N 302.422 2.409 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)Cc2ccsc2)C[C@@H](C)O1 21056544 MXUKNOOORCUKIS-BETUJISGSA-N 310.463 2.295 0 40 DEAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1cccnc1 585147815 QYUGDPCELRDNOQ-UHFFFAOYSA-N 304.327 2.413 0 40 DEAB Cc1cccc(C)c1CN1C(=O)C[C@H](Cc2cnn(C)c2)C1=O 102703622 BKFYJTNJHPEOCF-HNNXBMFYSA-N 311.385 2.155 0 40 DEAB CNC(=O)c1ccc(/C=C/C(=O)N2CCn3cccc3[C@H]2C)cc1 30260748 UZBKMRNVVYGBGD-DNGMOHDESA-N 323.396 2.464 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)c3ccc4[nH]cnc4c3)cc12 30608008 OJHNBDVSDRZWLE-UHFFFAOYSA-N 306.329 2.405 0 40 DEAB CC[C@@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CCO1 30848596 FSBUOTAFKWRZAP-CYBMUJFWSA-N 320.780 2.172 0 40 DEAB O=C(NCc1nnc2n1CCC2)C1(c2ccccc2)CCCC1 40489881 VZSLKOMSDNQLTH-UHFFFAOYSA-N 310.401 2.353 0 40 DEAB C[C@@H](CNC(=O)Cn1ccnc1)c1nc2ccccc2s1 50959339 QEYUUIIMFXMOKI-NSHDSACASA-N 300.387 2.413 0 40 DEAB Cc1ccc(C)c(N2N=C(C(=O)Nc3cn[nH]c3)CCC2=O)c1 40512152 QJPCKNQSTPYLSX-UHFFFAOYSA-N 311.345 2.148 0 40 DEAB COC(=O)CNC(=O)N1CCC[C@H]1c1nc2ccccc2s1 20745979 SNMSYSOAGRAZHR-NSHDSACASA-N 319.386 2.316 0 40 DEAB CC(C)/N=c1\ccccn1C(=O)Cn1ccc(C(F)(F)F)n1 101903753 XZOISPDWDHHCBR-LDADJPATSA-N 312.295 2.353 0 40 DEAB CCn1c(S)nc2cc(C(=O)NC3CCCC3)ccc2c1=O 102177486 ZGYVRMRNTSHFHQ-UHFFFAOYSA-N 317.414 2.378 0 40 DEAB CN(C)C(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1 32768264 LPIJNWORIYHIQF-MRXNPFEDSA-N 310.353 2.331 0 40 DEAB Cc1cc(N2CCc3[nH]c4ccccc4c3C2)n2ncnc2n1 32869712 CISGTXUIHGCOQR-UHFFFAOYSA-N 304.357 2.477 0 40 DEAB Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(C(=O)O)c1 1614990 ATYXPTXSXDFIEM-UHFFFAOYSA-N 303.158 2.279 0 40 DEAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H]3C[C@@H]3C3CCCCC3)CCO2)n1 78888649 NKNZBELXYWYBME-ILXRZTDVSA-N 318.421 2.229 0 40 DEAB Cc1cc(CNC(=O)[C@H](C(C)C)N2CCCC2=O)ccc1F 79330732 FODWQZBPPPOBBX-INIZCTEOSA-N 306.381 2.397 0 40 DEAB Cc1ccc(-n2nnc(C(=O)N3CCCCC3)c2N)cc1Cl 4984783 CPUUXYPGBJGBQM-UHFFFAOYSA-N 319.796 2.437 0 40 DEAB O=C(Nc1ccccc1C(=O)NC1CCNCC1)c1ccco1 6926864 OJOXFDOHVLFAOV-UHFFFAOYSA-N 313.357 2.014 0 40 DEAB C=Cn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1 10119691 YLXOLHSFBZBHHI-UHFFFAOYSA-N 301.350 2.223 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)c1cccc(F)c1 51356480 IBOABTDEQIEXRA-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB CC(C)CO[C@@H](C)C(=O)NCc1ccccc1Cn1cncn1 42396994 JNEMVFYAWZNPOW-AWEZNQCLSA-N 316.405 2.004 0 40 DEAB O=C(NCc1ccco1)c1[nH]nnc1Nc1cccc(F)c1 23125475 ZJMHARZNGRPJLB-UHFFFAOYSA-N 301.281 2.210 0 40 DEAB COc1cc(C(=O)Nc2onc3c2CCC3)cc(OC)c1OC 8976374 TWCOGMRSVBVPPJ-UHFFFAOYSA-N 318.329 2.441 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1cccs1)C2 108530570 ZXWMRFNKQVUKDH-CZUORRHYSA-N 306.431 2.055 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)NCCc2ccccn2)on1 42964294 CVCZAKKWQPONQD-AWEZNQCLSA-N 300.362 2.467 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc3c2OCCO3)no1 55156575 KWWVMWFDLOUVHP-SNVBAGLBSA-N 303.318 2.193 0 40 DEAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 12515914 VBSUEFMURFNYEU-FRRDWIJNSA-N 319.405 2.081 0 40 DEAB O=C(C1CC1)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1 25590504 UCBAEDMVZJHJEQ-UHFFFAOYSA-N 312.413 2.189 0 40 DEAB C[C@@H](Cn1cccn1)NCc1cc(Cl)c2c(c1)OCCO2 35272214 JZLBQZKQSQGQMU-NSHDSACASA-N 307.781 2.486 0 40 DEAB CCCc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)n[nH]1 44066195 WKQIUFIFFXCMQD-ZDUSSCGKSA-N 306.435 2.456 0 40 DEAB C[C@H](NC(=O)c1cc2c(s1)CCC2)C(=O)N1CCCCC1 108214377 PQTOTVDCIANJGW-NSHDSACASA-N 306.431 2.368 0 40 DEAB COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)O)cc1 3242733 WHFXZFJUARIBKP-UHFFFAOYSA-N 321.354 2.219 0 40 DEAB CCN1CCO[C@H](C(=O)N[C@H](c2ccccc2)C(F)(F)F)C1 110649958 KOSXNIDUTVBZBE-QWHCGFSZSA-N 316.323 2.127 0 40 DEAB CC(C)C[C@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 58198138 ITLLKNKWWTVLOC-ZDUSSCGKSA-N 316.409 2.238 0 40 DEAB CC(C)c1ccc(C(=O)C[C@@H](C(=O)O)N2CCN(C)CC2)cc1 20432479 KXDASKCFWSNUQJ-INIZCTEOSA-N 318.417 2.083 0 40 DEAB CCCCOCCOC(=O)/C=C\C(=O)OCCOCCCC 104173029 AFSQOWVBUBDMTF-FPLPWBNLSA-N 316.394 2.262 0 40 DEAB Cc1ccnc2nc(C(=O)N[C@@H]3CCCc4ccccc43)nn12 3382599 GYMKDBPAFLRVNR-CQSZACIVSA-N 307.357 2.240 0 40 DEAB NCCNc1cc2c(=O)c(C(=O)O)cn(C3CC3)c2cc1Cl 22048397 KFFLFXHSHZOQHH-UHFFFAOYSA-N 321.764 2.059 0 40 DEAB in-vitro C[C@@H](NC(=O)N1CCC[C@H](O)C1)c1ccc2c(c1)OCCCO2 46070299 JJUZCBMEBZSXBO-OCCSQVGLSA-N 320.389 2.075 0 40 DEAB O=C(NCc1ccco1)c1ccc(S(=O)(=O)C(F)F)cc1 3330141 NXOCPPPDOLRAAT-UHFFFAOYSA-N 315.297 2.206 0 40 DEAB O=C(OCCN1CCCC1=O)c1cc2c(cc1O)CCCC2 65687380 GSVXHKLJRDIBII-UHFFFAOYSA-N 303.358 2.050 0 40 DEAB Cc1cc(C)cc(OCCC(=O)NCCc2nccn2C)c1 65609099 IMCZGZDRSRCZJK-UHFFFAOYSA-N 301.390 2.165 0 40 DEAB Nc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 7534348 SQIKVITUWMSFLW-UHFFFAOYSA-N 324.435 2.163 0 40 DEAB CCN(CC)CCNC(=O)CCC(=O)N[C@H](C)c1ccccc1 9659621 ACVRKJFWYSGKRX-OAHLLOKOSA-N 319.449 2.102 0 40 DEAB O=C1CNC(=O)N1C[C@@H](c1cccc(Cl)c1)N1CCCC1 69132474 KGIWKIRBYSHEJL-ZDUSSCGKSA-N 307.781 2.029 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1Cn1cccn1 70039871 IZGRRUJZKDZECR-FZMZJTMJSA-N 302.378 2.283 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)CSCCc1ccccc1 70039879 OBRYYPDDDIQTMB-CQSZACIVSA-N 322.430 2.049 0 40 DEAB C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)C[C@@H](C)N1 70076419 MYSLJPHMTCTLDJ-DTORHVGOSA-N 315.186 2.411 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 71869703 JPRVQYYALVANIK-GFCCVEGCSA-N 319.434 2.303 0 40 DEAB CCCN1CCCC[C@@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 69446774 PGNGCPRRZCVMIN-CYBMUJFWSA-N 303.362 2.324 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCOc1ccccc1Cl 71830138 CZSYAVAKTSLBDS-VXGBXAGGSA-N 324.808 2.221 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1CCc2ccc(F)cc21 69653707 YARSYICBTUIIAA-AWEZNQCLSA-N 323.393 2.142 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN2Cc2cn3ccsc3n2)n1 69699784 GDTPKFXSLJCIDU-CQSZACIVSA-N 316.434 2.269 0 40 DEAB O[C@@H](CN1CCC[C@@H]1Cn1cccn1)c1ccc(F)cc1F 69770016 RJIDLMCCRJFXSY-CJNGLKHVSA-N 307.344 2.359 0 40 DEAB Cc1cccc(C2(C(=O)NC[C@H](C)CN3CCCC3=O)CC2)c1 71833120 HLTBKGWQMKPSCK-HNNXBMFYSA-N 314.429 2.401 0 40 DEAB c1ccc(-n2ncc(CN3CCC[C@@H]3Cn3cccn3)n2)cc1 71875664 DLZZUWFIHISUCA-QGZVFWFLSA-N 308.389 2.128 0 40 DEAB Cc1cc(C(=O)N2CCN(Cc3nc(C)c(C)o3)CC2)c(C)o1 71824764 HTAZJGZOHONGNW-UHFFFAOYSA-N 317.389 2.459 0 40 DEAB Cc1nc(CN2CCN(C(=O)CC[C@H]3CCCO3)CC2)cs1 42361333 MFZXSIQEHBSJCK-OAHLLOKOSA-N 323.462 2.055 0 40 DEAB Cc1noc(CNC(=O)c2cnc(OCC3CC3)c(Cl)c2)n1 97085676 WWGHDVLLEXJXDE-UHFFFAOYSA-N 322.752 2.145 0 40 DEAB O=C(Nc1nc(Cc2ccc(F)cc2)n[nH]1)c1cncc(F)c1 97237384 BXCCGFMQILWCJV-UHFFFAOYSA-N 315.283 2.321 0 40 DEAB COC(=O)C(C)(C)[C@@H]1CCCN(Cc2c(C)nn(C)c2OC)C1 97235582 ROELRBSYKQGJHT-CYBMUJFWSA-N 323.437 2.148 0 40 DEAB Cc1ccnc(NC(=O)N2CCCN(C(=O)C(C)C)CC2)c1 97107535 QLYHTWAWHNOUKR-UHFFFAOYSA-N 304.394 2.112 0 40 DEAB Cc1cccc(NC(=O)N2CCO[C@@H](c3nccs3)C2)n1 97142754 GBYKMHRGCJFRKB-LLVKDONJSA-N 304.375 2.452 0 40 DEAB CC[C@@H]1CN(C(=O)[C@@H](C)c2ccsc2)C[C@@H]1N1CCOCC1 84735639 MPDYUSWIAACXOA-LZWOXQAQSA-N 322.474 2.421 0 40 DEAB C[C@H]1CCN(c2ccc(NC(=O)NCC3(CO)CC3)cc2)C1 95405978 BOPRDDVRVXYSPI-ZDUSSCGKSA-N 303.406 2.427 0 40 DEAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N[C@H](C)C(=O)O 95425452 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CCS[C@H]1CCCCN(C(=O)[C@@H](NC(C)=O)C(C)C)C1 78987392 AYHROQIXRAOVHD-KBPBESRZSA-N 300.468 2.281 0 40 DEAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@@H](O)C1 35118868 JVSIWDNCNDFZLP-MRVPVSSYSA-N 310.202 2.139 0 40 DEAB c1ccc(CN2CCC[C@H]2c2cncc(-n3ccnc3)n2)nc1 72378621 JKZJMSADDLYRTQ-INIZCTEOSA-N 306.373 2.394 0 40 DEAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN(c2cccnn2)C1 72366430 GUFIARDLPIGJJS-GFCCVEGCSA-N 300.337 2.471 0 40 DEAB O=C(Cc1ccccc1C(F)(F)F)NC[C@@H]1CCCNC1 129932999 MHSMQCIGKMXENF-LLVKDONJSA-N 300.324 2.364 0 40 DEAB Cc1c(C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)nnn1C(C)C 557837388 SBZSAOXEJIOMDY-CYBMUJFWSA-N 319.453 2.114 0 40 DEAB Cc1nc(-c2cccc(C(=O)N3CCCS3(=O)=O)c2)cs1 76823329 KMSFBRLMVMXWQD-UHFFFAOYSA-N 322.411 2.294 0 40 DEAB O=C1OCCCN1CC(=O)N1CCC[C@H]1c1ccc(F)cc1 84580058 QVTRRMWUGUJXRT-AWEZNQCLSA-N 306.337 2.332 0 40 DEAB CCO[C@@H](Cc1ccc(I)cc1)C(=O)O 225069476 UESUDIUEENRMOW-JTQLQIEISA-N 320.126 2.323 0 40 DEAB O=C(NCCOc1ccccc1)NC[C@H](O)c1cccs1 75170602 VHRXQIPGJINGMM-ZDUSSCGKSA-N 306.387 2.160 0 40 DEAB O=C1CCCc2c1cn(-c1ccc(F)cc1)c(=O)c2C(=O)O 45796109 NLYMHBXHCKWJKG-UHFFFAOYSA-N 301.273 2.194 0 40 DEAB CN(C)c1ccnc(C(=O)OCc2ncn(-c3ccccc3)n2)c1 195577477 ANOHXOXRVMIXKY-UHFFFAOYSA-N 323.356 2.085 0 40 DEAB O=C(Cn1nc(-c2cccs2)ccc1=O)Nc1cccnc1 49544460 CRIXVRZHSLIZMX-UHFFFAOYSA-N 312.354 2.006 0 40 DEAB CCOC(=O)C(C[Si](C)(C)c1ccccc1)C(=O)OCC 195760919 MQDJTDNJTSZLEC-UHFFFAOYSA-N 308.450 2.344 0 40 DEAB CN(CC1CC(O)C1)C(=O)NCCOc1cccc(Cl)c1 195575694 NPGIUUXPCPVELE-UHFFFAOYSA-N 312.797 2.131 0 40 DEAB O=C(O)c1nn(-c2ccc(Cl)cc2)nc1Br 89263372 GQXVUWHNTAAQGJ-UHFFFAOYSA-N 302.515 2.381 0 40 DEAB Cc1cnc([C@@H](NS(=O)(=O)c2cccnc2)C2CC2)s1 96428437 YWVIFMLUVFVGBC-LBPRGKRZSA-N 309.416 2.276 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NC[C@H]1CCO[C@@H]1C(C)C 96454491 KXKUTIPLKIZIOD-RHSMWYFYSA-N 307.438 2.147 0 40 DEAB Cc1ccc(C(=O)N2Cc3c(CN(C)C)nn(C)c3C2)cc1C 96259073 DTGFBZNJPHFZBG-UHFFFAOYSA-N 312.417 2.255 0 40 DEAB Cc1cc(C)c(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)o1 96476248 JGRZUSLSGMJINF-AWEZNQCLSA-N 321.398 2.412 0 40 DEAB CC[C@@H](C(=O)N[C@H](C)c1ccccc1N1CCOCC1)N(C)C 95450484 HNCNIYNHULJZBC-ZBFHGGJFSA-N 319.449 2.041 0 40 DEAB C/C(=C\C(=O)N(C)CCN1CCCC1=O)c1ccc(F)cc1F 98019019 WXYPLMTYLXADSG-ZRDIBKRKSA-N 322.355 2.449 0 40 DEAB c1ccc(CO[C@H]2CO[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96209035 JMJWMXFESOIHPI-MSOLQXFVSA-N 318.417 2.011 0 40 DEAB COCCN1C[C@H](COC)C2(CCN(Cc3ccco3)CC2)C1 247814746 APSFFDABSNAPNU-MRXNPFEDSA-N 322.449 2.086 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCCN1CCCC1=O 257257097 KOCHUWDZHSJMTA-CQSZACIVSA-N 318.421 2.174 0 40 DEAB Cn1cc(CN2CCOC[C@H](Cc3cccc(F)c3)C2)cn1 257209724 BRQMMSSVFRDHHL-OAHLLOKOSA-N 303.381 2.250 0 40 DEAB CCc1cc(C(=O)N2CCC[C@H]2c2cc(NC)nc(C)n2)no1 257327753 XCOGUDWWEHXKGF-AWEZNQCLSA-N 315.377 2.354 0 40 DEAB O=C(NCCN1CCCCC1)c1cccnc1-c1cncs1 257282526 OUBSNTSVFLULOH-UHFFFAOYSA-N 316.430 2.421 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCN(Cc3c[nH]nc3C)C2)c1 585274846 PJIGRCWTAHKSQE-QGZVFWFLSA-N 301.390 2.042 0 40 DEAB CN1C[C@H](COCC2CC2)C2(CCN(C3CCOCC3)CC2)C1 585104268 XMJNOBAXNWBCOL-QGZVFWFLSA-N 322.493 2.236 0 40 DEAB O=C(CN1CCCCC[C@H]1c1ccco1)NC[C@@H]1CCCO1 71915030 MBKHBSAIDZCRAX-GJZGRUSLSA-N 306.406 2.492 0 40 DEAB CC(C)(CNC(=O)c1cc(C2CC2)nc2ccccc12)C(N)=O 72011244 NLYGNEXNUZXFDG-UHFFFAOYSA-N 311.385 2.354 0 40 DEAB COc1ccnc(N2CCc3cc(OC)c(OC)cc3CC2)n1 57150245 ANLVBAFULVLKPV-UHFFFAOYSA-N 315.373 2.108 0 40 DEAB c1cnc(OC[C@@H]2CCCN(c3ccnc(C4CC4)n3)C2)nc1 1776000756 IMETYCGKYHFIMU-CYBMUJFWSA-N 311.389 2.439 0 40 DEAB Cc1nc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)c[nH]1 74829336 VVTASWOKHKCXRX-INIZCTEOSA-N 312.417 2.455 0 40 DEAB COc1ccc(OC)c2c1CN(C(=O)NCCC(C)C)C[C@@H]2O 40477788 DAWAJVWGLIXURW-ZDUSSCGKSA-N 322.405 2.309 0 40 DEAB Cc1ccnc(N2CCN(Cc3cc(F)ccc3F)CC2)n1 1204221102 NFYLZWOHRBFHIM-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB COc1ccc(/C=C2\SC(=O)N([C@H](C)C(=O)O)C2=O)cc1 2234165 RONGUDWUOIRGNR-XNYAHFKXSA-N 307.327 2.205 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)Cc2cnn(C)c2C)cc1C 14249983 QXAHNPHKQLBSCU-UHFFFAOYSA-N 307.419 2.166 0 40 DEAB CCC(CC)C(=O)N[C@H](C)c1cc(=O)[nH]c(-c2cccnc2)n1 19500243 MQKXQHGCUPWWGI-LLVKDONJSA-N 314.389 2.445 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(OC)ccc1[N+](=O)[O-] 8433679 NGIDXOWWLKLSPC-VNKDHWASSA-N 320.301 2.217 0 40 DEAB Clc1ccc(CCNc2cc(-n3cncn3)ncn2)cc1 1888909669 AZNXXXCYQBPTLY-UHFFFAOYSA-N 300.753 2.365 0 40 DEAB CC1CC(C(=O)N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)C1 1565543471 OUPWRJLWICSNBH-OQYIOPRESA-N 316.401 2.265 0 40 DEAB COCc1nsc(N2CC[C@@H](Oc3ccncc3C)C2)n1 2086884471 XZOYWYNRUUWBLA-LLVKDONJSA-N 306.391 2.046 0 40 DEAB C[C@@H]1CN(c2ccc(CNC(=O)c3cccs3)cn2)CCO1 40535978 GUMOPJLQBRPKNG-GFCCVEGCSA-N 317.414 2.298 0 40 DEAB CCc1ccc(S(=O)(=O)N2CCCC[C@H]2CC(=O)O)cc1 32217340 QLRMQEXTGYLWIG-ZDUSSCGKSA-N 311.403 2.267 0 40 DEAB COC(=O)c1cc(F)ccc1Cn1ccc2ccn(C)c2c1=O 78806138 MUUSFOIMZKWOIR-UHFFFAOYSA-N 314.316 2.314 0 40 DEAB Nc1nnc(SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)s1 8066728 TVBOXIJYYORFPX-UWVGGRQHSA-N 312.464 2.251 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)n1 106144678 KZOYGLAXOXIEFC-MELADBBJSA-N 301.390 2.271 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)CCSc2nnnn2C)cc1 56129727 ZLEWNSREBSBZIZ-LLVKDONJSA-N 319.434 2.132 0 40 DEAB O=C1C[C@H]([C@H]2CCCCN2c2ncnc3sccc23)CN1 108147514 IDGXZYCPEAZRIG-CMPLNLGQSA-N 302.403 2.186 0 40 DEAB C[C@@H](NC(=O)c1ccc(O)c(Cl)c1)C(=O)NC1CCCC1 58202496 ZNQQCTORUAWARN-SECBINFHSA-N 310.781 2.223 0 40 DEAB Cn1cc(NC(=O)Nc2ccc(N3CCCCC3)nc2)cn1 58246135 LPMOTSYBDOIAAJ-UHFFFAOYSA-N 300.366 2.449 0 40 DEAB CO[C@@H]1CCC[C@@H](OC(=O)C[C@H](NC(N)=O)c2ccccc2)C1 95350216 GCGMMTQNOQLICC-KFWWJZLASA-N 320.389 2.287 0 40 DEAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1CN1CCCC1 58356004 YFRWPJMZGDHUFX-WBVHZDCISA-N 300.402 2.077 0 40 DEAB Cc1cc(S(=O)(=O)NCC2(N)CCCCC2)c(C)s1 36266647 NJGNAUSJWGROPO-UHFFFAOYSA-N 302.465 2.305 0 40 DEAB Cc1cnc2c(S(=O)(=O)N[C@H](C)[C@H]3CCCO3)cccc2c1 28327620 CQWWPWGRIPRECF-TZMCWYRMSA-N 320.414 2.389 0 40 DEAB CCOC(=O)N1CCN(C(=O)Nc2cccc3[nH]ccc23)CC1 60349741 XNFMXFANVMXUOF-UHFFFAOYSA-N 316.361 2.474 0 40 DEAB Cc1cc(C(=O)NC[C@@H]2CC=CCC2)cc(S(N)(=O)=O)c1C 70917001 PNWNVQVOWCGLDJ-CYBMUJFWSA-N 322.430 2.037 0 40 DEAB CC(C)Cn1c(SCC(N)=O)nnc1-c1ccccc1F 3506826 VCEJCVFLZQHMMW-UHFFFAOYSA-N 308.382 2.318 0 40 DEAB O=C(O)C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 13389031 ISMHDXPZJQNEEF-SNVBAGLBSA-N 319.338 2.423 0 40 DEAB CN1CC[C@@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 3954478 OVGMKPGXRHJNKJ-AEFFLSMTSA-N 303.402 2.312 0 40 DEAB in-vitro Cc1cc(C(=O)N2CCC(CC(N)=O)CC2)c(C)n1C(C)C 49393139 WFPZCESVVVDKHB-UHFFFAOYSA-N 305.422 2.413 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)c1cc2c(s1)CCCC2 65428408 FQSGONWVNBXUSJ-UHFFFAOYSA-N 316.430 2.437 0 40 DEAB O=C1CCCC[C@H]1Sc1n[nH]c(=O)n1Cc1ccccc1 14093238 KFZICUAGCIZOMD-CYBMUJFWSA-N 303.387 2.224 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)c1ccc(N(C)C)nn1 65536637 FRDAPFUIASRODV-NSHDSACASA-N 300.362 2.042 0 40 DEAB C[C@H]1CCCN(CCNC(=O)c2cc(-c3ccco3)[nH]n2)C1 65402329 FQTAFEQVFJERET-LBPRGKRZSA-N 302.378 2.131 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1=Cc2ccccc2OC1 15515187 IEFBHDJSJDQHAS-UHFFFAOYSA-N 307.309 2.271 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)N1CCC[C@@H](CO)C1 80471383 JUVIULQPNCFCIW-NWDGAFQWSA-N 310.369 2.309 0 40 DEAB C[C@@H](Oc1ccc(OCc2nccn2C(F)F)cc1)C(N)=O 81080272 QJNGVEVAPUJIAK-SECBINFHSA-N 311.288 2.110 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)c1 69219754 VYPOASGIHPRUCJ-HNNXBMFYSA-N 323.356 2.163 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H](n2cccn2)C1 69327512 NCXUAEFYQVCVJL-INIZCTEOSA-N 311.385 2.224 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@@H](n2cccn2)C1 69327565 FVNIGIGGODHPJX-GFCCVEGCSA-N 311.345 2.344 0 40 DEAB C[C@H](Sc1nnnn1C1CCCC1)C(=O)NCc1ccco1 8389070 ADSMFFQFDVVTMR-JTQLQIEISA-N 321.406 2.178 0 40 DEAB C[C@H](OC(=O)C1=NNC(=O)CC1)c1nc2ccccc2s1 8311912 UYIJNUVRLLUCSH-QMMMGPOBSA-N 303.343 2.167 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1C1OCCO1 69451916 LKDYOJGFGIEMPP-INIZCTEOSA-N 314.385 2.464 0 40 DEAB CSC[C@](C)(O)CNC(=O)c1sccc1Br 96414711 AQBPXTZAPVBEOL-SNVBAGLBSA-N 324.265 2.354 0 40 DEAB Cn1cc(C(=O)NCC2CCN(CC3CCCCC3)CC2)cn1 69702572 LSNQTMIQSGFUAX-UHFFFAOYSA-N 318.465 2.442 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](n2ccnc2)C1 69700514 RAEHMPKBMQKVIP-OAHLLOKOSA-N 315.421 2.030 0 40 DEAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(C)ccc1F 69844696 UXYHFDJNVPOZBW-ZDUSSCGKSA-N 310.394 2.128 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2n[nH]c3ccccc23)C1 69901665 PQRRPWSWGPZNOU-CQSZACIVSA-N 323.400 2.474 0 40 DEAB Cc1cnn(CCNC[C@H](O)COc2c(C)ccc(C)c2C)c1 69979257 XEWVNTXKBGLQCN-KRWDZBQOSA-N 317.433 2.146 0 40 DEAB C[C@@H](OC(=O)c1cccs1)C(=O)Nc1sccc1C(N)=O 8778435 DZOKNUSKCXKSDW-SSDOTTSWSA-N 324.383 2.093 0 40 DEAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCN2CCCC[C@@H]2C1 71839940 QFUWOXUNVBRTKX-OAHLLOKOSA-N 310.401 2.387 0 40 DEAB NC(=O)CC1CCN(C(=O)/C=C/c2c(F)cccc2F)CC1 71821021 KXDSLUZNBWAQLH-SNAWJCMRSA-N 308.328 2.092 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1Cn1cccn1 71866221 KTXXULGGCXUADW-CQSZACIVSA-N 302.378 2.112 0 40 DEAB NC(=O)c1ccc(OCC(=O)N2CC[C@H](c3ccccc3)C2)cc1 71844392 HEZNAFKJOHBHTG-INIZCTEOSA-N 324.380 2.180 0 40 DEAB Fc1ccc2ncnc(N3CCC[C@@H](C4OCCO4)C3)c2c1 71904175 LGWNWSIHHQHHLR-LLVKDONJSA-N 303.337 2.358 0 40 DEAB Cn1cc(CNC(=O)c2ccc(Nc3ccncc3)cc2)cn1 72289275 OMYKTNYBRSTGTE-UHFFFAOYSA-N 307.357 2.489 0 40 DEAB CC[C@H](C)c1ccc(S(=O)(=O)NC[C@H](C)C(=O)OC)cc1 84726831 PTDRMSOYKYDBGW-RYUDHWBXSA-N 313.419 2.288 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)c2ccn(C)c(=O)c2)n(C)n1 74286699 NMCRRSZCQLCQOS-UHFFFAOYSA-N 322.368 2.347 0 40 DEAB CN(CCO)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 95948681 KVKMNPUSCZEIAF-GOSISDBHSA-N 323.396 2.445 0 40 DEAB CC(C)N(Cc1cccnc1)C(=O)Nc1ccc(=O)n(C)c1 95955735 FTNXAWONFGLZAW-UHFFFAOYSA-N 300.362 2.223 0 40 DEAB CO[C@@H](CNC(=O)N1CCOC[C@@H]1C)c1cccc(Cl)c1 74871688 AZGHTUUPKPWMQI-FZMZJTMJSA-N 312.797 2.458 0 40 DEAB Cc1cc(CN(C)C(=O)C(=O)Nc2ccc(F)c(C)c2)no1 89587770 KQQDAQQMYZMIMO-UHFFFAOYSA-N 305.309 2.028 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(c1nc(C3CC3)ns1)CC2 89986595 NLTLIMLZDUZREP-VXGBXAGGSA-N 309.435 2.172 0 40 DEAB COc1ccc(-c2[nH]c(=O)cc3c2[C@@H](SC)N(C)C3=O)cc1 62716499 FLXDXZUUMWTIDS-MRXNPFEDSA-N 316.382 2.498 0 40 DEAB CC(C)C(=O)N1CC[C@]2(C1)OCc1cnc(-c3ccoc3)nc12 306138159 RRHMUHLLAXDCMU-QGZVFWFLSA-N 313.357 2.350 0 40 DEAB Cc1nc2ccccc2nc1N1CCC(C(=O)NC2CC2)CC1 54837596 NFKOFZYLFUTTRM-UHFFFAOYSA-N 310.401 2.433 0 40 DEAB Cc1nnc(-c2cccc(C(=O)N3CC[C@@H](n4cccn4)C3)c2)o1 558654792 KSODEUUZTOIJJC-OAHLLOKOSA-N 323.356 2.329 0 40 DEAB CC(C)N1CCC(c2nccnc2N2CCC[C@@H]2CO)CC1 72365232 YGQKPQGOLGDURX-OAHLLOKOSA-N 304.438 2.026 0 40 DEAB CCc1c(C)nc2cc(-c3nccn3C)nn2c1NCCOC 72338535 IMWNXYHGQORTBA-UHFFFAOYSA-N 314.393 2.059 0 40 DEAB O=Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCc3ccccc32)cc1 72330028 XHOTWKNLEULHLO-QGZVFWFLSA-N 323.348 2.460 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH]c2=O)cc1 72212315 MTJRJVAFLSUDNF-OAHLLOKOSA-N 318.398 2.209 0 40 DEAB C[C@@]12CC[C@@H](C[C@@H]1C(=O)O)[C@@]1(C2)NC(=O)c2ccccc2O1 72338776 DUSVPCWFYUCMPD-LNNXVMOYSA-N 301.342 2.416 0 40 DEAB Cn1cccc(C(=O)OCc2cc(-c3cccs3)on2)c1=O 36662605 PMOPPNYTYNBBDQ-UHFFFAOYSA-N 316.338 2.459 0 40 DEAB CN(CCN)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 79391750 GPFNRZGXCWCEKK-INIZCTEOSA-N 305.422 2.068 0 40 DEAB Cc1ncc(CNC(=O)C(=O)Nc2cc(F)ccc2C)s1 77820572 PNRRILBXQAIBTI-UHFFFAOYSA-N 307.350 2.154 0 40 DEAB N[C@@H]1CCO[C@H]1C1CCN(c2ncnc3c(F)cccc23)CC1 562832058 CGRWWUOCOFPPEG-ZBFHGGJFSA-N 316.380 2.102 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)NC(C)(C)CC)ccc21 223010893 GGDGLZDIFMMWRF-UHFFFAOYSA-N 324.446 2.453 0 40 DEAB O=C(NCCOCc1ccccc1)[C@@H]1COc2ccccc2O1 223743827 RKNZVEHKQBDJRG-KRWDZBQOSA-N 313.353 2.159 0 40 DEAB Cc1nc(COc2ccc(CNc3nnn[nH]3)cc2)cs1 195573325 FMTRERWPJSCZID-UHFFFAOYSA-N 302.363 2.156 0 40 DEAB O=C(NCc1cccc(F)c1)c1cc2c([nH]c1=O)CCCC2 49551289 YRXHZERWSRWVLZ-UHFFFAOYSA-N 300.333 2.323 0 40 DEAB CC(C)[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)O 43430752 KHNNXEAMWOZEEE-GFCCVEGCSA-N 300.399 2.085 0 40 DEAB CC(C)NC(=O)Cn1cnc2c(sc3ccccc32)c1=O 45942858 AYWBLWFWGZHZGP-UHFFFAOYSA-N 301.371 2.136 0 40 DEAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3nncn32)c1 44901563 SPTKQXVVJNJZSR-JTQLQIEISA-N 303.347 2.172 0 40 DEAB C[C@H](NC(=O)[C@H]1CCOC1)[C@@H](O)c1c(F)cccc1Cl 195533909 XEAZVXRYIHAEPP-MWODSPESSA-N 301.745 2.054 0 40 DEAB FC(F)(F)c1nnc2ccc(SC3CCOCC3)nn12 195545995 KKLBQUSUTXGYBA-UHFFFAOYSA-N 304.297 2.414 0 40 DEAB O=C(CCn1cncn1)Nc1ccc(F)cc1OCC1CC1 96419363 QYDZZZLPFBSVMK-UHFFFAOYSA-N 304.325 2.235 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CC1)CN(Cc1ccncc1)C2 96060247 MGEKSRFGFALTIG-MRXNPFEDSA-N 312.417 2.341 0 40 DEAB Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)O)sc1C 517158851 QTFWFMKORUPQSA-UHFFFAOYSA-N 316.360 2.160 0 40 DEAB COC[C@]1(C(=O)O)CCN(Cc2csc(-c3ccoc3)n2)C1 579603318 QAGBTFBHELDOBL-HNNXBMFYSA-N 322.386 2.326 0 40 DEAB CC[C@](C)(NC(=O)CCc1csc2nc(C)cn12)C(=O)OC 96476082 NONIPTNLJKWKIN-HNNXBMFYSA-N 323.418 2.095 0 40 DEAB Cc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@H]2C1 96043165 NEVOQVPCNHNNTH-UAGQMJEPSA-N 302.418 2.063 0 40 DEAB Cc1occc1C(=O)N1CC[C@H]2[C@H]1CCN2CC1CCOCC1 96184441 HNZWBVGRHVZQCU-DLBZAZTESA-N 318.417 2.303 0 40 DEAB Cn1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2)c1Cl 96181064 KYXVZDIJAYYTMK-UHFFFAOYSA-N 320.780 2.162 0 40 DEAB O=CNc1cccc(OCCOc2cccc(NC=O)c2)c1 98086490 NDKSJLCBEAZSCJ-UHFFFAOYSA-N 300.314 2.281 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)c4ccc(C)o4)C[C@H]3O2)n[nH]1 96046215 IHAQKAANYXFTAW-IACUBPJLSA-N 316.361 2.007 0 40 DEAB CC(C)N(C)Cc1nnc2n1CCN(Cc1cccs1)CC2 96058946 DVISKKPBRGMANO-UHFFFAOYSA-N 319.478 2.238 0 40 DEAB CC/C(=C\C(=O)NC[C@@H]1CN(C)CCN1C)c1ccc(C)cc1 96423699 QTEXULQPKWLZIW-FXFXYLOPSA-N 315.461 2.150 0 40 DEAB Cc1ccc(N2CCC[C@]3(CCN(c4ncccn4)C3)C2)nn1 96216995 TXBBQUMFPAZPIB-KRWDZBQOSA-N 310.405 2.072 0 40 DEAB COC[C@H](C)CN(C)S(=O)(=O)c1c(F)cccc1Cl 96503242 OSSHLTATUPLWLX-SECBINFHSA-N 309.790 2.382 0 40 DEAB CCOC(=O)[C@@H]1CS[C@@H](c2coc3ccccc3c2=O)N1 98072846 MSSKFTSCMJPUST-FZMZJTMJSA-N 305.355 2.060 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CC[S@@](=O)C1 96454972 KSSGIKNGXCQIRE-GIPWTMENSA-N 315.822 2.380 0 40 DEAB CCNC(=O)c1ccc(OC(=O)c2cc(C)nn2CC)cc1 96407268 BHCXWKRPQMLGLQ-UHFFFAOYSA-N 301.346 2.180 0 40 DEAB O=C1C[C@H]2[C@@H](CCN2Cc2ccc3c(c2)OCO3)N1CC1CC1 96183915 BLVSXCMKVORHCY-CABCVRRESA-N 314.385 2.001 0 40 DEAB CCn1nc(C)c(NC(=O)Nc2ccc(C)cc2)c1C(N)=O 96182133 AYSXMIFICVYDSZ-UHFFFAOYSA-N 301.350 2.263 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)n1 257334604 YGQCCWGNYMHFNX-ZDUSSCGKSA-N 313.357 2.467 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3ccc(C)nc3O)CCO2)ccn1 257318674 VOYYERJELWAOGU-HNNXBMFYSA-N 313.357 2.013 0 40 DEAB CN(C)c1cccc([C@H]2CN(Cc3ccc(F)cn3)CCO2)n1 257333863 YDKRKBYPVLRUAZ-MRXNPFEDSA-N 316.380 2.255 0 40 DEAB CNc1nccnc1C[C@@H]1CCCN(Cc2cncs2)C1 257269528 MQIZNRMPRLEIEQ-LBPRGKRZSA-N 303.435 2.430 0 40 DEAB Cc1cnc(C(=O)N2CC[C@@H](c3ncn4ccsc34)C2)cn1 257261069 LFPJCUGUQTWKPY-LLVKDONJSA-N 313.386 2.124 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2cccn2)cc1 24577649 TWOMDIFTKQZLNX-UHFFFAOYSA-N 318.358 2.278 0 40 DEAB CN1CCN([C@H]2CCC[C@@H](Oc3ccc(Cl)cc3)[C@@H]2O)CC1 585289000 CTEGJGKSPUWIMD-GVDBMIGSSA-N 324.852 2.248 0 40 DEAB 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2.051 0 40 DEAB O[C@@]1(CNC2CCN(Cc3ccc(Cl)cc3)CC2)CCOC1 90848613 GWJBMSCKNXVHEJ-QGZVFWFLSA-N 324.852 2.045 0 40 DEAB Cc1nccn1CCCN1C(=O)N[C@](C)(c2ccccc2)C1=O 95350380 AAESFSZKVDPHOI-QGZVFWFLSA-N 312.373 2.049 0 40 DEAB Cc1ccc(-c2noc([C@H](C)SC[C@H](O)CO)n2)cc1F 95407584 PNDBQOYMTBOAGO-GXSJLCMTSA-N 312.366 2.332 0 40 DEAB COc1cccc(-c2cc(NC(=O)[C@@H]3OCC[C@H]3C)n(C)n2)c1 95447515 ZYMGEYGRJXCRGR-BDJLRTHQSA-N 315.373 2.459 0 40 DEAB Cc1cc(NC(=O)CNC(=O)/C=C/c2ccccc2)ccc1O 95450246 BJSLAGSBAYCTMT-JXMROGBWSA-N 310.353 2.469 0 40 DEAB Cc1cn(CC(=O)N2CCC(C(=O)O)CC2)c2ccccc12 95958432 XAPNLQBGAHZNTM-UHFFFAOYSA-N 300.358 2.273 0 40 DEAB CNC(=O)NC(=O)CN[C@H](C)c1c(Cl)ccc(F)c1Cl 95984431 SULHVZOFTQHCQK-ZCFIWIBFSA-N 322.167 2.239 0 40 DEAB Cc1nc(CNC2(c3ccc(F)cc3F)CCOCC2)no1 95985858 JTRJPTHNEFCUTP-UHFFFAOYSA-N 309.316 2.452 0 40 DEAB CCC[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)O 95991861 HNWHPLNRDSNXII-LBPRGKRZSA-N 305.309 2.199 0 40 DEAB CC1(C)C[C@@H](NC(=O)NCCOCC(F)(F)F)C(C)(C)O1 95994907 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301.433 2.182 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N(C)Cc2ccco2)c1 96419946 DQYPMOGGMUNJLF-UHFFFAOYSA-N 315.373 2.023 0 40 DEAB CC(C)COCCCNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 96421419 OKRZQJMDPILEAQ-GVDBMIGSSA-N 323.481 2.175 0 40 DEAB O=C(NCCOCc1ccccc1)N[C@H]1CCN2CCCC[C@H]12 96446988 XKJAZWCPPASTPZ-DLBZAZTESA-N 317.433 2.129 0 40 DEAB COc1cc(C)c(CNC[C@H](C)N2CCOC[C@@H]2C)cc1OC 96459560 WKLVOIPHBZQCPR-GJZGRUSLSA-N 322.449 2.211 0 40 DEAB O=C(NC[C@H]1CC(=O)N(CCc2ccccc2)C1)C1CC=CC1 96466855 DKOYNJVMXKPRFD-MRXNPFEDSA-N 312.413 2.160 0 40 DEAB O=C([C@H]1CCCN1c1nc2ccccc2[nH]1)N1CCSCC1 96485851 JVPPXCPJICKPAH-CQSZACIVSA-N 316.430 2.107 0 40 DEAB CS(=O)(=O)c1sc2[nH]nc(N)c2c1-c1cccc(F)c1 96532165 KIRMMGIMULXEQR-UHFFFAOYSA-N 311.363 2.416 0 40 DEAB CN[C@@H]1CCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1 97019473 XKTKSKUWONRWDU-CQSZACIVSA-N 324.428 2.103 0 40 DEAB Cc1ccccc1C[C@H](C)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 97033483 BTOSGTHRGTUQQD-USXIJHARSA-N 304.434 2.151 0 40 DEAB O[C@@H](CNCc1c[nH]nc1-c1cccs1)CN1CCCCC1 97197314 GNIKLNCRNCBRKC-AWEZNQCLSA-N 320.462 2.075 0 40 DEAB Clc1snnc1CN1CCO[C@H](c2nccs2)C1 97199752 KZSCJSHTSWETND-QMMMGPOBSA-N 302.812 2.222 0 40 DEAB COc1ccccc1C(=O)N(CCc1ccccc1)CC(=O)O 179378565 LRSJROUZDYBJLW-UHFFFAOYSA-N 313.353 2.465 0 40 DEAB O=C(O)[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccccc1 252514096 BEESZWZTUJDOCM-RRFJBIMHSA-N 320.341 2.466 0 40 DEAB COc1ccc(CN2CCOC[C@@H]2c2ccn[nH]2)c(OC)c1 257248374 JDJMSZRTBBNWJL-OAHLLOKOSA-N 303.362 2.000 0 40 DEAB C[C@@]1(c2nccc(CNC(=O)Cc3cccs3)n2)CCCO1 257262867 LNHRVPHQLMRDGP-INIZCTEOSA-N 317.414 2.423 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCNC[C@@H]1c1ccccc1 257301528 RYWBXZRCQDAFGT-OAHLLOKOSA-N 311.385 2.340 0 40 DEAB COCCN1CCC2(CC1)C[C@@H](N(C)c1ccccc1)CO2 257310415 UEZOOMGTNQSXRN-QGZVFWFLSA-N 304.434 2.393 0 40 DEAB Cn1cncc1CN1CCOC[C@@H](Cc2ccc(F)cc2)C1 257320953 VZLWRSMDMNRSSR-HNNXBMFYSA-N 303.381 2.250 0 40 DEAB O=C(c1cnc2ccccc2c1)N1CCOC[C@H]1c1ccn[nH]1 257334224 YFBUWWHSXXQZTR-INIZCTEOSA-N 308.341 2.172 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(C)c(C)nc2O)n1 257335840 YMBWARNLFNHQTC-CYBMUJFWSA-N 300.362 2.413 0 40 DEAB Cc1cc(CN2CCN(c3cc(C)nc(C4CC4)n3)CC2)on1 265343794 IYVVAQQQSWBUOZ-UHFFFAOYSA-N 313.405 2.281 0 40 DEAB CCn1cc(CCN2C(=O)C[C@]3(CCc4ccccc43)C2=O)cn1 333134550 BIZZQESJTZUJIF-IBGZPJMESA-N 323.396 2.089 0 40 DEAB O=S(=O)(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccccc1 390829242 XRECCGABVQEQRK-CQSZACIVSA-N 321.402 2.253 0 40 DEAB CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Cl)cc1OC 409193789 MJXNOBXNHRPBMQ-BJMVGYQFSA-N 310.737 2.270 0 40 DEAB Cc1cc(NC[C@@H]2CCN(C)C(=O)C2)nc(-c2ccccn2)n1 519641828 QAXLKDWTDLQUAR-CYBMUJFWSA-N 311.389 2.127 0 40 DEAB Cc1ccccc1[C@H]1CCCN1C(=O)COCc1nncn1C 569596055 ZJVPBDXCCALGBQ-OAHLLOKOSA-N 314.389 2.004 0 40 DEAB COCc1nn(C)cc1C(=O)Nc1cc(C2CCCCC2)[nH]n1 573911465 PCMZXPPIMGTMGF-UHFFFAOYSA-N 317.393 2.590 0 40 DEAB O[C@@]1(COc2ccc(F)cc2)COCCN(C2CCCC2)C1 585268891 CSPKRLYBPOPHHH-QGZVFWFLSA-N 309.381 2.210 0 40 DEAB CCC(CC)N1CC[C@H](O)[C@@](O)(COc2ccc(F)cc2)C1 585282686 MRWWGQHCAUUGNC-IRXDYDNUSA-N 311.397 2.191 0 40 DEAB O=C(c1c(F)cccc1Cl)N1CC[C@]2(CCCO2)C(=O)C1 585288582 FDNQPVUETXIZRA-OAHLLOKOSA-N 311.740 2.443 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CC[C@@H](Oc2nccs2)C1 585320216 POJPLHGZJICTBG-LLVKDONJSA-N 318.354 2.165 0 40 DEAB CCc1ncnc(N2CCC(NC(=O)C(C)(C)C)CC2)c1F 1057868203 QJCHJEGVPKYMML-UHFFFAOYSA-N 308.401 2.309 0 40 DEAB CCNC(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2616257 RTPHRBVZFQRZPB-UHFFFAOYSA-N 302.403 2.373 0 40 DEAB NC(=O)CSc1nnc(COc2cccc3ccccc23)o1 411361 PSJAQUMALPGXCZ-UHFFFAOYSA-N 315.354 2.379 0 40 DEAB Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)sc3nc12 426919 GIQANIGCTCRIDU-UHFFFAOYSA-N 301.371 2.356 0 40 DEAB CN(C)[C@H](CNC(=O)c1ccco1)c1ccc2c(c1)OCO2 12196066 PFOXNZFGYNSSNG-GFCCVEGCSA-N 302.330 2.041 0 40 DEAB CN(C)CCn1ccc(NC(=O)N[C@H]2CCc3ccccc32)n1 76081878 HRGAYPHTCZZDNG-HNNXBMFYSA-N 313.405 2.254 0 40 DEAB CCc1cccc(OC[C@H](O)CNC[C@H]2CCCN2CC)c1 22026969 QVEYJYLYMHELRN-IAGOWNOFSA-N 306.450 2.063 0 40 DEAB O=C(Nc1cnn(CC(F)F)c1)[C@@H]1Cc2cc(F)ccc2O1 77021373 HEIUCUXSYWMRKQ-LBPRGKRZSA-N 311.263 2.230 0 40 DEAB CCOC(=O)c1ccccc1OP(=O)(N(C)C)N(C)C 1571424 IFGKRVOXXVDMMO-UHFFFAOYSA-N 300.295 2.473 0 40 DEAB Cc1nn(CC(=O)N2CCC(C)CC2)cc1Br 2781802 CGJAMRZCGPXGNX-UHFFFAOYSA-N 300.200 2.213 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 3257541 PUVZCARIZYMCRY-CHWSQXEVSA-N 310.419 2.371 0 40 DEAB Cc1cccc(N(C)S(=O)(=O)c2cc(C(=O)O)ccc2O)c1 72313023 ZURZQDYITJIANF-UHFFFAOYSA-N 321.354 2.224 0 40 DEAB CCOC(=O)CN1CCC(C(=O)c2cc(F)ccc2F)CC1 61079258 RBBCWACXCDCIMI-UHFFFAOYSA-N 311.328 2.423 0 40 DEAB C[C@@H](NC(=O)c1ccc(CNC(N)=O)cc1)c1ccccc1F 23797900 FTYOKRAQANJVDT-LLVKDONJSA-N 315.348 2.485 0 40 DEAB COc1ccc(CNC(=O)c2[nH]c3c(c2C)C(=O)CCC3)cn1 54729147 YVIIQPFGFLJBEU-UHFFFAOYSA-N 313.357 2.176 0 40 DEAB C[C@H](c1ccccc1F)S(=O)(=O)Cc1ccn(C)c(=O)c1 55209544 NEHFOBLNPVYGSG-LLVKDONJSA-N 309.362 2.200 0 40 DEAB CCN1CCC[C@H]1CN[C@H](C)CC(=O)Nc1ccccc1OC 108179815 DSJSNJOHAOUPTL-CABCVRRESA-N 319.449 2.486 0 40 DEAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)cc1C 58197530 DGCGXAZVBRLHJC-UHFFFAOYSA-N 307.419 2.248 0 40 DEAB CC[C@H]1CN(CCOc2ccccc2F)CCN1CCOC 69849541 LHSSAOPNAZCXSD-HNNXBMFYSA-N 310.413 2.247 0 40 DEAB CCCc1nnc(NC(=O)CCc2c(C)nn(C)c2C)s1 44892967 LBDPZJROVIUDQL-UHFFFAOYSA-N 307.423 2.412 0 40 DEAB O=C(CN1C(=O)CCCc2ccccc21)NCCc1ccco1 21870809 KYPJZVFACRDMLD-UHFFFAOYSA-N 312.369 2.308 0 40 DEAB COC(=O)CCCN(C)C(=O)/C=C/c1cc(C)ccc1OC 58341647 LEJJURMNRWEKJQ-CSKARUKUSA-N 305.374 2.428 0 40 DEAB O=C(Cn1cnnn1)N1CCC(c2cccc3ccccc23)CC1 58725395 NJBSAKZUBWRXRV-UHFFFAOYSA-N 321.384 2.233 0 40 DEAB O=S(=O)(NCc1ccnc(N2CCCC2)c1)c1ccccc1 29393674 INZBULZSKNGVQI-UHFFFAOYSA-N 317.414 2.160 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2ccc3ccccc3n2)no1 3513610 CJVWQMJIUSSAEH-UHFFFAOYSA-N 311.297 2.327 0 40 DEAB C[C@@H](NC(=O)Cn1c(=O)n(C)c2ccccc21)c1ccccc1 12924018 YEDYEEWRAMMYAY-CYBMUJFWSA-N 309.369 2.217 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)NCc1cccs1 12900131 LJTGVILWWZBOLS-UHFFFAOYSA-N 318.398 2.193 0 40 DEAB CN(Cc1ccsc1)C(=O)CNC(=O)Cc1ccccc1 12999661 DCDVJQTVTKPUGZ-UHFFFAOYSA-N 302.399 2.065 0 40 DEAB CCNC(=O)NCCC(=O)Nc1ccc(Br)cc1 48862337 WMNPNCNSDPRIEI-UHFFFAOYSA-N 314.183 2.097 0 40 DEAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 49173664 NXMVBIIZGILLFA-ZDUSSCGKSA-N 321.808 2.113 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(C)on2)c1C 8944923 SIAGXENUDLOLPR-UHFFFAOYSA-N 306.318 2.462 0 40 DEAB CN(C)CC[C@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn21 306127441 FYRYMCANYZNXQY-INIZCTEOSA-N 302.422 2.219 0 40 DEAB CCNC(=O)CCSc1nnc(C)n1Cc1ccccc1 65548326 UAARPJRIWFBVHQ-UHFFFAOYSA-N 304.419 2.253 0 40 DEAB COc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)cn1 14112183 XSRRGHLCRZJNBC-SNVBAGLBSA-N 300.314 2.310 0 40 DEAB CCc1ccccc1NC(=O)CN(C)c1ncnc2c1cnn2C 14215651 DNWLUILVJKTPDI-UHFFFAOYSA-N 324.388 2.001 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CCS(=O)(=O)Cc2ccccc2)C1 4735712 IKUAFDCHDBHXGK-GJZGRUSLSA-N 323.458 2.496 0 40 DEAB CS(=O)(=O)N(CCOCC(F)(F)F)c1ccccc1F 96007481 JVGKSCOEZOKZLI-UHFFFAOYSA-N 315.288 2.171 0 40 DEAB CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1Cl 22517306 IDXKMUQXTIEBGS-UHFFFAOYSA-N 316.810 2.338 0 40 DEAB Cc1nc(NC(=O)c2nn(C)c(=O)c3ccccc23)sc1C 7685638 JMXKLVCAWUHWAY-UHFFFAOYSA-N 314.370 2.259 0 40 DEAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)NCc1cccs1 7835957 SSQRPNAZQPWQLB-JTQLQIEISA-N 308.359 2.215 0 40 DEAB CC(C)COc1ccc(NC(=O)[C@@H]2COCCN2)cc1Cl 178394615 AWHNRISXBWWMTB-ZDUSSCGKSA-N 312.797 2.302 0 40 DEAB Cn1cc(/C=C(\C(=O)C(=O)O)c2ccc3ccccc3n2)cn1 96297766 MWZPLMSZIROEQB-JYRVWZFOSA-N 307.309 2.163 0 40 DEAB c1coc(-c2noc(CN3CCC[C@H](N4CCCC4)C3)n2)c1 69150411 NVTCIQNRRORLCF-ZDUSSCGKSA-N 302.378 2.390 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2nc(-c3cccs3)no2)c1 69536364 DHYFIDIJFTWWRG-LLVKDONJSA-N 303.391 2.481 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C[C@@H](C)O1 17325346 JBXASQYZRQORIZ-VXGBXAGGSA-N 302.374 2.285 0 40 DEAB CCc1nc2n(n1)C[C@@H](NCc1ccc(-n3cccn3)cc1)CC2 69621192 PFTIRERILGZSOB-HNNXBMFYSA-N 322.416 2.131 0 40 DEAB Cc1nc(CN2CCC[C@@H](NCCc3cccs3)C2)no1 69600150 KXSIPXBBUPPXSP-CYBMUJFWSA-N 306.435 2.236 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)N(C)CCCC(=O)O)c1 71831259 JTZWBDSSDFDAPX-RMKNXTFCSA-N 307.346 2.040 0 40 DEAB COc1ccc(-c2n[nH]cc2CN[C@H]2CCCN(C)C2)cc1 71825272 ZWYDCCAAPFNBQQ-HNNXBMFYSA-N 300.406 2.269 0 40 DEAB C[C@@H](NC(=O)NCCc1nccn1C(F)F)c1nccs1 71879885 NPNUQCKWLLXSOF-MRVPVSSYSA-N 315.349 2.338 0 40 DEAB CCn1ncc2c(C(=O)N[C@@H](C)CO)cc(-c3ccccc3)nc21 97204487 BCBKFBPRPQECCM-LBPRGKRZSA-N 324.384 2.229 0 40 DEAB CCCn1c(S[C@@H]([C@H]2CCCO2)C(F)(F)F)n[nH]c1=O 71911286 ZEEPPPLRTFDWLC-SFYZADRCSA-N 311.329 2.183 0 40 DEAB COCCN(CCO)Cc1cc(F)ccc1Br 83902733 OZMHHKOJECQREB-UHFFFAOYSA-N 306.175 2.029 0 40 DEAB NC(=O)N1CCC(Nc2ccc(F)cc2OCC(F)F)CC1 97035065 SXJNAJXNNAABIT-UHFFFAOYSA-N 317.311 2.425 0 40 DEAB CCOC(=O)c1cc(NC(=O)[C@H](C)c2cccc(F)c2)[nH]n1 97046496 DFDPKMMLHKYLTP-SECBINFHSA-N 305.309 2.468 0 40 DEAB CCNC(=O)CC[S@@](=O)Cc1cccc(Br)c1 97047739 YKLBRMXKDUSPEK-KRWDZBQOSA-N 318.236 2.224 0 40 DEAB NC(=O)[C@@H]1CCCN1c1cnc2cc(Cl)c(Cl)cc2n1 97082346 UZMKOHQZSXYAIW-NSHDSACASA-N 311.172 2.391 0 40 DEAB COc1cccc([C@H](O)CN2CCC[C@H](c3ccn[nH]3)C2)c1 72286212 RHDQOQJLXFMTMS-WMLDXEAASA-N 301.390 2.331 0 40 DEAB CN(C(=O)C[S@@](=O)Cc1cc(-c2cccs2)on1)C1CC1 95406564 BNTZDYOWMFUZNJ-OAQYLSRUSA-N 324.427 2.273 0 40 DEAB Cc1ccc(NC(=O)N[C@]2(C)CCS(=O)(=O)C2)cc1Cl 98072293 ZSKCFKKNFAXGJG-CYBMUJFWSA-N 316.810 2.347 0 40 DEAB Cc1cc(C(=O)NC[C@H](C)CO)c(C)cc1Br 95982696 FFUXGBDZMSVHPY-QMMMGPOBSA-N 300.196 2.424 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1c1cnn(C)c(=O)c1Cl 95966060 KRFWIFMNTTWFBY-NSHDSACASA-N 318.808 2.279 0 40 DEAB CC(C)c1nnc2n1C[C@@H](NC(=O)CCCn1cccc1)CC2 95997790 DZXBUKPHGPKWIC-AWEZNQCLSA-N 315.421 2.114 0 40 DEAB C[C@@H]1CN(S(=O)(=O)Cc2noc3ccccc23)C(C)(C)CO1 95940457 YFOMQHCHZTZMRQ-LLVKDONJSA-N 324.402 2.157 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H](C)C(=O)O 95970439 YMIHHCUXNLNEJA-VMPCVLLUSA-N 313.357 2.092 0 40 DEAB COCCS(=O)(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 89420226 IETDORXNEWYEGZ-UHFFFAOYSA-N 309.391 2.219 0 40 DEAB Cc1ccc(C(=O)N(C)CCCOc2ccccc2)c(=O)[nH]1 75119717 WYMHFKPVMGIXOS-UHFFFAOYSA-N 300.358 2.224 0 40 DEAB Cc1nc(CC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cs1 75117979 UPCFNYIUQGUECG-UHFFFAOYSA-N 317.292 2.340 0 40 DEAB C[C@@H](CCOc1ccccc1)C(=O)NC1(C(N)=O)CCCC1 89895612 CYARQBXMNXUPDO-ZDUSSCGKSA-N 304.390 2.006 0 40 DEAB COCCn1cc(NC(=O)N2CC[C@@H](C)C[C@H](C)C2)ccc1=O 89929926 XSJVNZDVAIBLPO-KGLIPLIRSA-N 321.421 2.395 0 40 DEAB COc1cc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)ccc1O 62001504 AIOSPJIQOLXBIF-SJLPKXTDSA-N 310.353 2.325 0 40 DEAB biogenic O=C(C1CC1)N1CC[C@@]2(C1)Cn1c(-c3ccccc3)cnc1CO2 306142304 WVULXBUDJPAHDP-LJQANCHMSA-N 323.396 2.461 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCN(Cc2ccccc2)C1 79390950 BZTXXBHXYHGLPN-MSOLQXFVSA-N 317.477 2.340 0 40 DEAB COC(=O)c1cc(C)cc(O)c1C(=O)c1c(O)cccc1O 36375397 HZZOIPFDIKYDFZ-UHFFFAOYSA-N 302.282 2.129 0 40 DEAB biogenic,in-vitro CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 34867674 RKXLQRUQASOOQN-RISCZKNCSA-N 310.419 2.310 0 40 DEAB CCCN(C(=O)c1ccc(Br)cn1)[C@@H]1CCNC1 71315065 QIYUVAUPVPQIDW-LLVKDONJSA-N 312.211 2.058 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(CC(=O)O)C1 79413836 SMBRAMRSAPGCON-OAHLLOKOSA-N 320.389 2.193 0 40 DEAB Cc1ncn(-c2ccc(F)cc2I)n1 2362803701 ZDNPEKHZWQHBML-UHFFFAOYSA-N 303.078 2.319 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(OC)ncn2)C12CCCC2 182209640 WNYIGASQYSAGMC-VXGBXAGGSA-N 320.393 2.345 0 40 DEAB CS(=O)(=O)c1cccc(-c2nc(-c3ccccn3)no2)c1 78773819 CLWPYDGOGDMHBA-UHFFFAOYSA-N 301.327 2.202 0 40 DEAB CC(C)OC(=O)Cn1nc(-c2ccncc2)nc1-c1ccncc1 40174387 QDVQFMXKHLPYFI-UHFFFAOYSA-N 323.356 2.354 0 40 DEAB Cn1nccc1[C@@H]1OCC[C@H]1CN1CCC(c2ncc[nH]2)CC1 573822357 MDAGRFBNONLISL-GOEBONIOSA-N 315.421 2.100 0 40 DEAB CN(c1ccccc1C(=O)NCC1=CCCCC1)S(C)(=O)=O 223862405 SRSUYARIOJQIOE-UHFFFAOYSA-N 322.430 2.313 0 40 DEAB COC(C)(C)c1noc(CN2C(=O)CCc3ccccc32)n1 85237075 DAVJXGIRBMBYKI-UHFFFAOYSA-N 301.346 2.431 0 40 DEAB CCC1(CNC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)CCC1 84164898 HQIXNDVWTJMKHA-QWHCGFSZSA-N 316.467 2.222 0 40 DEAB O=C(Nc1nnc2ccccn12)c1cccnc1C(F)(F)F 195578014 CADPIKWCNZXSEE-UHFFFAOYSA-N 307.235 2.395 0 40 DEAB O=C(COc1ccn(-c2ccccc2)n1)Nc1nccs1 226853521 JXXRXMSTELQDGL-UHFFFAOYSA-N 300.343 2.346 0 40 DEAB O=C(c1cccs1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184825 GKNHXQKSGNGTPM-NEPJUHHUSA-N 300.387 2.032 0 40 DEAB c1nc(N2CCC[C@H](N3CCCCCC3)C2)c2cn[nH]c2n1 96404812 IBRCJOBWFORTNE-ZDUSSCGKSA-N 300.410 2.198 0 40 DEAB O=C1C[C@@H](c2cccnc2)C2(CCN(Cc3ccco3)CC2)N1 96199693 QWVXBSSCMKGQIT-INIZCTEOSA-N 311.385 2.313 0 40 DEAB CCOc1ccccc1CNC(=O)NCC[C@H](O)C(F)(F)F 96413300 JZDAOIJNZYZOFV-LBPRGKRZSA-N 320.311 2.198 0 40 DEAB O=C(Cc1cccs1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 96069899 NNHHEVVQKAMHSR-HOTGVXAUSA-N 301.411 2.495 0 40 DEAB Cc1nn(C)cc1CN1C(=O)N[C@](C)(C2CCCCC2)C1=O 333481539 FPQWGQYPZIEPLD-MRXNPFEDSA-N 304.394 2.119 0 40 DEAB CC(C)(C)OC(=O)N1CCC(c2ncncc2C(=O)O)CC1 96517130 VUTKDMVYWRARNC-UHFFFAOYSA-N 307.350 2.289 0 40 DEAB Cc1cc([C@H](C)NC(=O)N(C[C@@H](C)O)[C@H](C)CO)c(C)s1 249104669 QGUNMWMBZIHTHO-FOGDFJRCSA-N 314.451 2.199 0 40 DEAB CCn1nnc2cc(C(=O)O[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)ccc21 245312459 JJQQTLGSZHCEJW-KCPJHIHWSA-N 315.373 2.422 0 40 DEAB C[C@@H]1c2nc(C(=O)NC3CCC3)cn2CCN1Cc1ccco1 253590721 DVHDSEQZEWYSNQ-GFCCVEGCSA-N 314.389 2.335 0 40 DEAB COc1ccc2cc(CO)c(I)nc2c1 256050088 CPDNBTRYXKVBCJ-UHFFFAOYSA-N 315.110 2.340 0 40 DEAB Cc1nc([C@H]2CCN(C(=O)c3cnccn3)C2)c2sccn12 257307210 SXQYAMSKJUQZPL-NSHDSACASA-N 313.386 2.124 0 40 DEAB Cn1cc(-c2nsc(NC(=O)c3ocnc3C3CC3)n2)cn1 900795639 LWXCQGIQPIOZKF-UHFFFAOYSA-N 316.346 2.056 0 40 DEAB Cc1nnc2n1C[C@H](CNCC1=Cc3ccccc3OC1)CC2 71877325 YMWISDBCMYBKLQ-AWEZNQCLSA-N 310.401 2.215 0 40 DEAB C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCc2ccc(F)cc21 71883446 WGMPCEQIBGPSLM-ZUZCIYMTSA-N 316.332 2.341 0 40 DEAB Cc1cc(C(=O)N(C)CC(=O)Nc2cccc(C)c2C)no1 49958145 MJSMZDGHSLZCKC-UHFFFAOYSA-N 301.346 2.311 0 40 DEAB CCc1cnc(OC2CCN(C(=O)c3cc(C)on3)CC2)nc1 1776001935 TZJFEVWJTQFYFG-UHFFFAOYSA-N 316.361 2.019 0 40 DEAB C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1cccnc1 84661145 FTGGGGPOCHMYLB-LBPRGKRZSA-N 320.352 2.446 0 40 DEAB O=C(NCC[C@H](O)c1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 85560974 RFOKUEAAJFTKFP-OCCSQVGLSA-N 303.358 2.311 0 40 DEAB COc1ccc(-n2cc(CNc3ncc(Cl)cn3)nn2)cc1 88740902 UKDRZZNKALBGKZ-UHFFFAOYSA-N 316.752 2.331 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)nc2)no1 80908984 IRNBNJOZRCPIQJ-SNVBAGLBSA-N 308.769 2.490 0 40 DEAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCN(C)C[C@H]1C 89536677 NIAKWQSGCFTMEE-LLVKDONJSA-N 301.365 2.458 0 40 DEAB Cc1cn2nc(N3CC[C@@H](CNc4ccccn4)C3)sc2n1 97200884 YXTGKOSZQFSBSN-LBPRGKRZSA-N 314.418 2.433 0 40 DEAB Cc1cc(N2C[C@@H]3CN(c4ccccc4)C[C@@H]3C2)n2ncnc2n1 548892246 ZNIXXJFPVGAOFU-GASCZTMLSA-N 320.400 2.005 0 40 DEAB CC1([C@H]2CCCN(CC(=O)Nc3ccccc3F)C2)OCCO1 97086627 BVTCFIDEYAUKEK-ZDUSSCGKSA-N 322.380 2.239 0 40 DEAB COc1ccc(C2CCN(C(=O)N3CCOCC3)CC2)cc1 5000959 NPYXPMHAFNYZTQ-UHFFFAOYSA-N 304.390 2.327 0 40 DEAB O=C(Cn1cccn1)N[C@@H](Cc1ccsc1)c1ccccn1 19400965 XINHGBOUUMSOOT-HNNXBMFYSA-N 312.398 2.440 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1csc(C2CC2)n1 156213759 KDSOZQMXMLAURG-GFCCVEGCSA-N 316.382 2.446 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCC[C@H](Oc2cnccn2)C1 225471971 VUGUAMURUFGMIO-LBPRGKRZSA-N 314.345 2.026 0 40 DEAB COc1cccc2cc(C(=O)N3CC(Nc4ncccn4)C3)oc12 238847569 IRILGRJBQXAKRL-UHFFFAOYSA-N 324.340 2.168 0 40 DEAB Cc1cccc(Cn2cccc(C(=O)Nc3ccon3)c2=O)c1 5269782 SNBUDMXPPXFYFJ-UHFFFAOYSA-N 309.325 2.445 0 40 DEAB Cc1ccn2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)c(O)nc2c1 8604407 XATJDYCUACCJDE-LBPRGKRZSA-N 323.352 2.200 0 40 DEAB CCOCCCN1CN(CCc2ccccc2)CNC1=S 20352847 WFNGTDXLSRNBPK-UHFFFAOYSA-N 307.463 2.063 0 40 DEAB Cc1cc(C(=O)NCc2cn(-c3ccsc3)nn2)c(C)o1 575618385 MIUCRGPTEXKKAY-UHFFFAOYSA-N 302.359 2.469 0 40 DEAB CCOC(=O)c1sc(NC(=O)c2snnc2C)nc1C 11999899 OHEXURQFMGFXJF-UHFFFAOYSA-N 312.376 2.040 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccc(F)cc2)C1 40160581 VHPWCTZVIXHPLO-STQMWFEESA-N 323.364 2.395 0 40 DEAB CC(C)=C[C@H]1[C@@H](C(=O)OCCN2C(=O)NC(C)(C)C2=O)C1(C)C 30747291 GHKFOQGCCMWNSG-RYUDHWBXSA-N 322.405 2.098 0 40 DEAB Cc1cc(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)on1 40534204 IWUVZMLNHIEDCA-HNNXBMFYSA-N 316.357 2.471 0 40 DEAB Cc1c(O)ccc(-c2cs/c(=N\c3ccn[nH]3)n2C)c1O 101721196 PWUBMIFWWBWAHR-PEZBUJJGSA-N 302.359 2.429 0 40 DEAB CCc1cc(N2CCC(NC(=O)C[C@H]3C=CCC3)CC2)ncn1 96450156 XKPZSQOLDFPQPJ-AWEZNQCLSA-N 314.433 2.480 0 40 DEAB O=C(Cc1cccs1)N1CCCN(Cc2cscn2)CC1 69923524 BRPPBXFFQRADCI-UHFFFAOYSA-N 321.471 2.482 0 40 DEAB Cc1ccc(C(=O)C2CCN(CCS(C)(=O)=O)CC2)c(C)c1 46780553 VLDJDMMVIYWKCB-UHFFFAOYSA-N 323.458 2.243 0 40 DEAB C[C@@H]1CCN(C(=O)CCCS(C)(=O)=O)[C@@H](c2ccco2)C1 76089354 MVSVYPABCFBVME-CHWSQXEVSA-N 313.419 2.404 0 40 DEAB Cc1cc(F)ccc1NC(=O)Cn1nnc(-c2ccccc2)n1 2787146 RPSYBJQSMCYUSY-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)no1 76044130 OIOKTAOHISAPSB-GXTWGEPZSA-N 313.357 2.299 0 40 DEAB COC[C@H]1CN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)CCO1 76086141 XDHIYSROOAZEEZ-NVXWUHKLSA-N 320.433 2.291 0 40 DEAB COC(=O)[C@H]1CCC(=O)N1Cc1csc(-c2ccccc2)n1 1610153 MUULTMXDXINIJW-CYBMUJFWSA-N 316.382 2.474 0 40 DEAB O=C(NC[C@H](O)c1ccccc1)c1nc(-c2cccs2)no1 2733796 QHRQVHTWLUVNFD-NSHDSACASA-N 315.354 2.262 0 40 DEAB CCCOc1cccc(C(=O)Nn2c(C)nnc2SC)c1 6779106 XKFVTAKGKCXLRH-UHFFFAOYSA-N 306.391 2.481 0 40 DEAB O=Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 7928689 GARFTMWJMLLIDC-CQSZACIVSA-N 309.321 2.458 0 40 DEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NC1CCCCC1 102440308 CXLQUXXKAQBKFF-KBPBESRZSA-N 306.406 2.001 0 40 DEAB Cc1ccc(/C=c2\s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)s1 105740187 KLNJUMJFADFKLX-JKNYEHFOSA-N 307.440 2.031 0 40 DEAB Cn1cc(CCNC(=O)N[C@H]2CCSc3ccccc32)cn1 43166550 RRMZABHBMSLIIA-AWEZNQCLSA-N 316.430 2.499 0 40 DEAB CC(C)(C)Cc1nc2cc(NC(=O)c3n[nH]c(O)n3)ccc2o1 71889185 ACERYPHWDOIIPT-UHFFFAOYSA-N 315.333 2.492 0 40 DEAB C[C@H]1CCCN(C[C@@H](C)NC(=O)c2n[nH]c3ccccc23)C1 55401179 SEOPVZLYDXNNMR-QWHCGFSZSA-N 300.406 2.413 0 40 DEAB OCc1nnsc1N1CCN(c2cccc(Cl)c2)CC1 1416805 KJOHDKUBRYYTHR-UHFFFAOYSA-N 310.810 2.010 0 40 DEAB CSCc1ccc(C(=O)N[C@]2(C(=O)O)CCSC2)cc1 43510710 JFCDTVXHIYSFQR-CQSZACIVSA-N 311.428 2.240 0 40 DEAB O=C(NCCCN1CCCCCC1)N1C[C@@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 107146279 KHPSFUQIEIADRH-MWDXBVQZSA-N 321.465 2.071 0 40 DEAB CCn1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cn1 43645766 KENVWTVLTJKYLU-HNNXBMFYSA-N 313.405 2.299 0 40 DEAB O=C(Nc1nncs1)C1(c2ccc(F)cc2)CCOCC1 57225777 GWBGCKJRLSQWIK-UHFFFAOYSA-N 307.350 2.364 0 40 DEAB C[C@H](NC(=O)CC1CCCCC1)c1cccc(S(N)(=O)=O)c1 57898104 GQURTQPHDHZHSU-LBPRGKRZSA-N 324.446 2.482 0 40 DEAB CC1CCN(C(=O)CNc2ccc(Cl)cc2C(N)=O)CC1 58180079 INACFMBORKMJBX-UHFFFAOYSA-N 309.797 2.109 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1 3280957 QGFTYOUFGPBUIS-VIFPVBQESA-N 317.794 2.459 0 40 DEAB CN(C)CCN(Cc1ccc(Cl)cc1)C(=O)Cn1cccn1 58283804 MYCCHVXWYDITDJ-UHFFFAOYSA-N 320.824 2.127 0 40 DEAB COCCOc1ccc(CNC(=O)N2CCCC[C@H]2C)cn1 44970335 FGLYBMIQWILBER-CYBMUJFWSA-N 307.394 2.191 0 40 DEAB CCC(CC)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 58343366 LVVXBXKYWACHBS-UHFFFAOYSA-N 306.410 2.317 0 40 DEAB C[C@H](NC(=O)CN1CCN(c2cccc(Cl)c2)CC1)C1CC1 58412477 UAWAMZHSVATFRP-ZDUSSCGKSA-N 321.852 2.377 0 40 DEAB CS(=O)(=O)Nc1ccccc1CNC(=O)[C@@H]1CC=CCC1 36391462 WRYZRNLZIJKYCG-GFCCVEGCSA-N 308.403 2.031 0 40 DEAB COc1ccc(-c2nnc(SCC(=O)NC(C)C)o2)cc1 3301702 XBKFHSAMBPPZLW-UHFFFAOYSA-N 307.375 2.362 0 40 DEAB Cn1ncc2c(NCc3cccc(Cn4ccnc4)c3)ncnc21 29585285 VLRAYPLMCAZWCF-UHFFFAOYSA-N 319.372 2.220 0 40 DEAB COc1cccc(CN2CCc3nc(=S)[nH]c(O)c3C2)c1 13118764 ZZOSXTIXGSBQOL-UHFFFAOYSA-N 303.387 2.412 0 40 DEAB Cn1ncc(C(=O)NC2Cc3ccccc3C2)c1-n1cccc1 49547355 YKVVHNYBVOQMRE-UHFFFAOYSA-N 306.369 2.108 0 40 DEAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)NCc1ccco1 6097726 WYKSZAIJHOVTIK-NSHDSACASA-N 320.418 2.395 0 40 DEAB CC(C)CNC(=O)NC(=O)CSc1ccc2c(c1)OCCO2 5018825 KHMBDYAOIQOJQM-UHFFFAOYSA-N 324.402 2.032 0 40 DEAB CCCOc1cccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 65499696 MUFBEPFNUIRUHM-WBVHZDCISA-N 318.417 2.068 0 40 DEAB N=C1NC(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2Cl)S1 4575056 RTQCOXDWIDKHMN-QMMMGPOBSA-N 318.185 2.488 0 40 DEAB C[C@@H](NC(=S)NC1CC1)c1cccc(N2CCOC2=O)c1 65830106 RXNSPNLFNKELJV-SNVBAGLBSA-N 305.403 2.331 0 40 DEAB COC(=O)[C@@H]1C[C@H](NC(=O)c2cccc(F)n2)c2ccccc21 96010934 XPFZGNKBVLJKRO-OCCSQVGLSA-N 314.316 2.352 0 40 DEAB O[C@@H]1Cc2ccccc2[C@H]1Nc1ncc(Br)cn1 80572302 APFXCEXAUCDYLR-VXGBXAGGSA-N 306.163 2.309 0 40 DEAB CCOc1ncccc1C(=O)Oc1ccccc1C(=O)OC 9366730 BJBDJPJRSNBNMR-UHFFFAOYSA-N 301.298 2.486 0 40 DEAB Cc1c(C(=O)N2C[C@H](C)OCC2(C)C)cnn1C1CCOCC1 91115124 CCPJFSXUTLCSIH-LBPRGKRZSA-N 321.421 2.183 0 40 DEAB CC[C@H](C)c1ccccc1OCC(=O)N[C@H](C(N)=O)C(C)C 70014555 BRUODMDOCXYPPR-LRDDRELGSA-N 306.406 2.205 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)NCCCn1cccn1 69347904 DLCAVYZPNTXUQT-UHFFFAOYSA-N 314.345 2.189 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCc2cscn2)c1 71869926 LPPKKRHEZYJHOQ-AWEZNQCLSA-N 304.419 2.272 0 40 DEAB CCn1c(S)nc2cc(C(=O)NCC(C)C)ccc2c1=O 17128949 RNOUODFKVRLDBS-UHFFFAOYSA-N 305.403 2.091 0 40 DEAB CCN1CCN(CC(=O)NCC(F)(F)F)c2ccccc21 69597174 XCXKOVGUKQXGMZ-UHFFFAOYSA-N 301.312 2.011 0 40 DEAB C[C@H]1COCCN1Cn1c(-c2ccccc2F)csc1=O 69699970 VUZMLIYBPYIYGH-NSHDSACASA-N 308.378 2.394 0 40 DEAB Cc1ocnc1C(=O)N[C@H](CC(C)C)C(=O)Nc1nccs1 91840012 AHQDKEUSTFPQGA-SNVBAGLBSA-N 322.390 2.223 0 40 DEAB Cc1ccc(N(C)C2CCN(C(=O)c3ccc(C)o3)CC2)nn1 69741668 YFZXWLDIGBAZLD-UHFFFAOYSA-N 314.389 2.427 0 40 DEAB CC1(C)C(=O)N(CN2CCC(OC[C@H]3CCCO3)CC2)C1(C)C 83630587 FEERUGBGKOAKOK-OAHLLOKOSA-N 324.465 2.251 0 40 DEAB COc1cccc(N2C[C@H](NC(=O)c3ccccc3)CC2=O)c1 9630478 RDHNTLUFWSIESK-CQSZACIVSA-N 310.353 2.231 0 40 DEAB O[C@H]1Cc2ccccc2[C@H]1NCc1cnn(-c2ccccc2)n1 72061885 LBBZOTYHLIAJLQ-ZWKOTPCHSA-N 306.369 2.015 0 40 DEAB Cc1cc(C(=O)OCc2cnn(C)c2)nn1-c1ccc(F)cc1 97037863 KVFISKJWJTUXDY-UHFFFAOYSA-N 314.320 2.410 0 40 DEAB CC(=O)N1CCN(Cc2ccc(N[C@H]3CCSC3)cc2)CC1 97108563 SBPFZWCZYILKIR-KRWDZBQOSA-N 319.474 2.268 0 40 DEAB COc1ccc(C(=O)CNC(=O)c2ccncc2Cl)cc1 95446090 MSSMZSJQCLPFKL-UHFFFAOYSA-N 304.733 2.356 0 40 DEAB COCCN1CC=C(c2c(OC)cc(OC)cc2OC)CC1 95469912 CPQCYJVVCHJWFT-UHFFFAOYSA-N 307.390 2.448 0 40 DEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 95401101 KMYUKQKUYYVOHG-SYQHCUMBSA-N 318.421 2.460 0 40 DEAB OC[C@@H](O)CSCc1cn2cc(Cl)cc(Cl)c2n1 95407581 UHOYHKXVOJJQQT-SECBINFHSA-N 307.202 2.228 0 40 DEAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1cccnc1Cl 75093472 JKGHJAPBFQRVSH-GXFFZTMASA-N 300.811 2.111 0 40 DEAB CN(CCc1ccccc1)c1cnn(C)c(=O)c1Br 75137728 UNHMEDUZSKXHBC-UHFFFAOYSA-N 322.206 2.222 0 40 DEAB C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[C@H](CCO)C1 89913481 DRAMCJVPXAIFAI-HUUCEWRRSA-N 300.406 2.423 0 40 DEAB COc1ccccc1CN1C(=O)c2ccc(C(=O)O)cc2C1=O 62715971 YNEHCXIJKYATTP-UHFFFAOYSA-N 311.293 2.190 0 40 DEAB Cc1cccc[n+]1CCCN1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O 26956899 BLVBTWMDWYRUEH-LSDHHAIUSA-N 319.812 2.190 0 40 DEAB C[C@@H](NC(=O)CN1CCCC[C@@H]1c1nc[nH]n1)c1cccs1 121754018 HGCCTZKFFROLNT-VXGBXAGGSA-N 319.434 2.271 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 32744865 WUZUCOWLDUAZKC-ZOWXZIJZSA-N 314.385 2.366 0 40 DEAB COc1ccc(CNC(=O)c2ccc3c(c2)OCCCO3)cn1 32873818 NDYVKQJRIRPIHN-UHFFFAOYSA-N 314.341 2.182 0 40 DEAB C[C@@H](C(=O)N(C)C1CCCC1)N(c1ccccc1)S(C)(=O)=O 216429805 IARYOOFZGKZBQE-ZDUSSCGKSA-N 324.446 2.242 0 40 DEAB CC[C@@H](C)n1c(=O)c2sccc2n2c(CCC(=O)O)nnc12 71328577 NHBAGNOICGUIQR-MRVPVSSYSA-N 320.374 2.094 0 40 DEAB CC(C)(C)OC(=O)N(C1CCC(NCC(=O)O)CC1)C1CC1 79410820 XNMAJBSWEFQSRX-UHFFFAOYSA-N 312.410 2.371 0 40 DEAB COCCCNS(=O)(=O)c1ccc(OC)c(C(C)C)c1 74934709 KWDKWQXWRMNJCV-UHFFFAOYSA-N 301.408 2.133 0 40 DEAB CCCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCCC 217412084 JIYQJDGSPQZWTE-UHFFFAOYSA-N 314.407 2.285 0 40 DEAB CNC(=O)CCN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 75863251 JEJZXYNFDIIIJF-CYBMUJFWSA-N 309.841 2.155 0 40 DEAB CN1CCC2(CC1)CN(C[C@H]1CCOC1)Cc1ccccc1O2 72394177 FPLZYVCGCFPPLG-MRXNPFEDSA-N 316.445 2.382 0 40 DEAB CC(C)(C)n1cc(NC(=O)N2C[C@H]3[C@H]4C=C[C@@H](O4)[C@H]3C2)cn1 569440406 CUYCEQLDWWCTNN-XJFOESAGSA-N 302.378 2.055 0 40 DEAB CCCOC(=O)c1cccc(NC(=O)c2cc[n+]([O-])cc2)c1 46085478 OBKZIWDPEDJEBR-UHFFFAOYSA-N 300.314 2.139 0 40 DEAB CS[C@H]1CCC[C@@H]1N(C)S(=O)(=O)c1c[nH]c(C(C)C)n1 80767017 MATHNSAHKSUMOM-QWRGUYRKSA-N 317.480 2.438 0 40 DEAB COc1cccc2cc(C(=O)NC[C@H](O)c3ccoc3)oc12 75171724 HZQFIDFPPHQEKX-LBPRGKRZSA-N 301.298 2.498 0 40 DEAB CCOC(=O)c1ccc2[nH]nc(I)c2c1 87493396 ZULBYKANHBUAOW-UHFFFAOYSA-N 316.098 2.344 0 40 DEAB C[C@@H]1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@@H]1n1ccnc1 192396127 MLTCBXBUXXNIIV-KGLIPLIRSA-N 321.421 2.415 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)CCc2nc3ccccc3s2)C1 62118525 QNROYUBGTQIRCF-JTQLQIEISA-N 304.371 2.162 0 40 DEAB CC(C)(C)c1nnc2sc(-c3ccc(N)cc3)nn2c1=O 40163757 DRVJHNAQYQOCSH-UHFFFAOYSA-N 301.375 2.093 0 40 DEAB CC[C@@H](Oc1cc(C)ccc1C(N)=O)C(=O)Nc1cc(C)on1 9337607 LZMSBCJLSYYJTK-GFCCVEGCSA-N 317.345 2.186 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cccs3)C2)nn1 225430604 MYBKXJGVVZGGOP-GFCCVEGCSA-N 318.402 2.209 0 40 DEAB O=C(C[C@@H]1CNCCO1)N[C@H](Cc1ccccc1)c1ccccc1 195543078 LHOWUGVULVBEJA-RTBURBONSA-N 324.424 2.465 0 40 DEAB C[C@@H](CCc1ccc(F)c(F)c1)N[C@H]1CCCS(=O)(=O)C1 195549883 PTYOBJMEODWSRL-AAEUAGOBSA-N 317.401 2.453 0 40 DEAB Cc1ccc(CN2CCOC[C@]3(CC[C@H](CN(C)C)O3)C2)s1 96052283 NHHCRIJOALYMQZ-WBVHZDCISA-N 324.490 2.368 0 40 DEAB CN1C(=O)[C@H](c2ccccc2)CC12CCN(c1ncccn1)CC2 96199431 GRTPDCRVNPPFKS-INIZCTEOSA-N 322.412 2.462 0 40 DEAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1ccccn1)C2 96060242 CXCWTJIGRAHOGS-HNNXBMFYSA-N 312.417 2.341 0 40 DEAB CN1C(=O)[C@@H]2C[C@@H](CN2Cc2cccnc2)Oc2ccccc21 96111919 LGVFZTSTBQSUDQ-HOCLYGCPSA-N 309.369 2.080 0 40 DEAB biogenic,in-vitro CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2CC=CCC2)c1 96423173 SCAKAYILIOAEKH-OAHLLOKOSA-N 300.402 2.403 0 40 DEAB O=C(c1ccoc1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187895 TTYDXWUMCFTNLD-CQSZACIVSA-N 315.373 2.175 0 40 DEAB COc1ccc(/C(C)=C/C(=O)N(C)CCN2CCCC2=O)cc1 96454340 YXOOTXOVSVIXJG-BUHFOSPRSA-N 316.401 2.179 0 40 DEAB COc1cccc(CNC(=O)NC[C@@H](C)c2nccs2)n1 97375954 TYANOAQYYSVPNQ-SNVBAGLBSA-N 306.391 2.150 0 40 DEAB COc1ccc(CCCN2CCC[C@@H](NC(C)=O)C2)cc1F 97103876 PWTPBFRWCHSFHK-OAHLLOKOSA-N 308.397 2.367 0 40 DEAB CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C)cc(C)n1 95452256 HYEKRTSDXONPFD-UHFFFAOYSA-N 322.434 2.358 0 40 DEAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCNC2)nc1C 257339549 ZCFKDGHDSYTBJN-GFCCVEGCSA-N 312.373 2.123 0 40 DEAB O=C(CC1CCCC1)N1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 257285686 PIGXXKALDTWWSU-HZPDHXFCSA-N 307.365 2.357 0 40 DEAB O=C(c1cc2c(nc1O)CCC2)N1CCNC[C@H]1c1ccccc1 257241658 HYZNEONCLFOGOU-KRWDZBQOSA-N 323.396 2.063 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(F)cc(F)c2)n1 257221691 DQCPRIHVYAJGSU-ZDUSSCGKSA-N 307.300 2.210 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3cn(C)nc3C)CC[C@@]2(C)C1 257243289 IGFIWHMWYWTKMB-NUJGCVRESA-N 319.449 2.467 0 40 DEAB C[C@]12C[C@@H](c3ccccc3)N(CCO)[C@H]1CCCCC(=O)N2 257202861 ANSKKCVPWIYVTK-BQFCYCMXSA-N 302.418 2.243 0 40 DEAB O=C(c1cc(F)ccc1F)N1CCC2(CC1)OCCC[C@@H]2O 257235382 GXPMZHZYDCHLCC-AWEZNQCLSA-N 311.328 2.111 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)ccn1 257327131 XABQPDGHOVFHSN-CYBMUJFWSA-N 319.796 2.337 0 40 DEAB CO[C@H]1CN(C(=O)CCc2ccccc2)CC[C@@]12CCCO2 257223345 DWXZFZRBXSDJBI-WMZOPIPTSA-N 303.402 2.416 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H](C)c1c(C)n[nH]c1C 253370087 LVZGKXIDNDXGEQ-HONMWMINSA-N 321.421 2.368 0 40 DEAB O=C(O)C1(C(=O)Nc2cccc(Oc3cccnn3)c2)CCC1 663063417 RDWPDGCDPOMLFN-UHFFFAOYSA-N 313.313 2.462 0 40 DEAB CN1CCC[C@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 585178808 RJJSOQHNIVTABC-AWEZNQCLSA-N 317.389 2.354 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2ccccn2)no1 72301439 VPJOKSZIKMKSTQ-UHFFFAOYSA-N 321.296 2.159 0 40 DEAB CCCN1CC[C@H](CNC(=O)NC2CC(C)(C)NC(C)(C)C2)C1 54510557 RJOOPUHVRSOULR-CQSZACIVSA-N 324.513 2.327 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)c2cccs2)n1 48667809 AOPJZFKBCRUXBR-JTQLQIEISA-N 313.448 2.176 0 40 DEAB Cc1cccc(N(C)CC(=O)N2CCC3(CC2)OCCO3)c1C 54291079 NNQZJYYQHFIMDY-UHFFFAOYSA-N 318.417 2.105 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCc2sccc2C1 57878857 SKSMXIRAIHKYSW-GFCCVEGCSA-N 318.446 2.484 0 40 DEAB CCn1c(S)nnc1CNC(=O)/C=C(\C)c1ccc(F)cc1 98009462 MYFVOLWQCRLYGW-CSKARUKUSA-N 320.393 2.446 0 40 DEAB COCc1nc(CNC[C@H]2CCCn3cc(C)nc32)cs1 89702155 VUYJEZCGOHLDEB-GFCCVEGCSA-N 306.435 2.462 0 40 DEAB Cn1nccc1CNCc1cc(Br)cc2c1OCC2 96501772 YGZAKBYIIDKRBK-UHFFFAOYSA-N 322.206 2.407 0 40 DEAB O=C(NCc1ccccc1)c1cccc(N2C(=O)CCC2=O)c1 5557788 WQECLMNLTNUJAY-UHFFFAOYSA-N 308.337 2.270 0 40 DEAB O=C(O)C1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCNCC1 12157357 ZVTCJKJOZITZAB-CYBMUJFWSA-N 306.337 2.163 0 40 DEAB Cc1c(C(=O)NCCNC(=O)c2ccccn2)[nH]c2ccccc12 12204734 IXJOPJOSBWMFNX-UHFFFAOYSA-N 322.368 2.031 0 40 DEAB C1=C(CN2C[C@@H](CN3CCOCC3)c3ccccc32)COCC1 19374932 XXMFZRALYCQIKE-QGZVFWFLSA-N 314.429 2.269 0 40 DEAB CC(C)CNC(=O)NC(=O)CNc1ccc(Cl)cc1F 9455480 NGJDDUBCMUKUFC-UHFFFAOYSA-N 301.749 2.373 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C 5197179 KPYJSXSALIGVLM-LLVKDONJSA-N 318.329 2.484 0 40 DEAB O=C(NC[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1)c1ccco1 1889122811 YMPFJTHSYKCXMI-SNVBAGLBSA-N 320.295 2.341 0 40 DEAB CCn1nccc1C(=O)Nc1ncc(Br)s1 28226831 XEWMVCXAXWXFJN-UHFFFAOYSA-N 301.169 2.374 0 40 DEAB CC(C)N1CCC[C@]2(CN(c3cccc(F)c3)C(=O)CO2)C1 2037841195 ZRMOSGYBYKTCNX-QGZVFWFLSA-N 306.381 2.432 0 40 DEAB CC(=O)N[C@H](NC(=N)c1ccccc1)C(Cl)(Cl)Cl 3124905 QBQQHTWBWXCBMY-SNVBAGLBSA-N 308.596 2.434 0 40 DEAB c1cncc(CN[C@@H]2CCc3onc(CN4CCCC4)c3C2)c1 2055738591 ADSGNKCGDPYLLF-OAHLLOKOSA-N 312.417 2.313 0 40 DEAB O=C(NCc1ccc(C2CC2)nc1)c1cnn(-c2ccccc2)n1 585150261 NJUBOXSXTNUXEA-UHFFFAOYSA-N 319.368 2.470 0 40 DEAB O=C(NCc1cc(C2CC2)ncn1)c1cc(-c2cccnc2)on1 585360987 INHLDHQQHUQMFE-UHFFFAOYSA-N 321.340 2.334 0 40 DEAB Cc1cc2ncnc(N3C[C@@H]4CN(c5ccccn5)C[C@@H]4C3)c2[nH]1 2298086644 MEHHRESACHLUGU-OKILXGFUSA-N 320.400 2.234 0 40 DEAB Cc1cc(C)c2oc(=O)cc(CN3CCC(C(N)=O)CC3)c2c1 6759455 KVHDVVNHKWIXAJ-UHFFFAOYSA-N 314.385 2.107 0 40 DEAB biogenic CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O 142791 GFCPZHIUZCLSNZ-CQSZACIVSA-N 307.371 2.227 0 40 DEAB in-vitro Cc1cc(C)n(CC(=O)NCCOc2cccc(Cl)c2)n1 40535124 VJTSJSMHMMKPSL-UHFFFAOYSA-N 307.781 2.349 0 40 DEAB CN1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C1=O 101996584 JJOJNMDLZMOZAF-BZUAXINKSA-N 308.337 2.163 0 40 DEAB CCCn1nc(C(=O)N2CCc3sccc3[C@H]2C)ccc1=O 21638685 UHBNUPJFHVXSHU-LLVKDONJSA-N 317.414 2.474 0 40 DEAB CC[C@H](C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1ccccc1 2658388 IDGBKWRYHNQVFJ-ZDUSSCGKSA-N 320.389 2.348 0 40 DEAB COC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 415682 CLSWGDZVNKJOJA-UHFFFAOYSA-N 317.370 2.465 0 40 DEAB CCc1cc(CNC(=O)Nc2ccc(F)c(C(=O)NC)c2)on1 76021410 SFZVZCYYMRWNDF-UHFFFAOYSA-N 320.324 2.057 0 40 DEAB COC(=O)Cn1c(C)nc2c(sc3nc(C)cc(C)c32)c1=O 547416 ZXLVYEAIQJQZDX-UHFFFAOYSA-N 317.370 2.104 0 40 DEAB COC[C@H]1CCCN(C(=O)Nc2cnn(CC(F)(F)F)c2)C1 77716534 BDWFAGPZCVQUOI-JTQLQIEISA-N 320.315 2.336 0 40 DEAB CCc1ccc([C@@H](NC(=O)N2CCO[C@H](CO)C2)C(C)(C)C)o1 78971299 HTEMROYGYSUDTD-DZGCQCFKSA-N 324.421 2.332 0 40 DEAB CCCOc1ccc(-c2c(C)[n+]([O-])c3c([n+]2[O-])CCC3)cc1 2227307 HRXYRLZVPVUZIK-UHFFFAOYSA-N 300.358 2.206 0 40 DEAB Cc1cnc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cn1 6348932 LQNHGHBSYJPFGT-VIFPVBQESA-N 320.736 2.017 0 40 DEAB CCCCNC(=O)CSc1nnc(Cc2ccccc2)n1C 6648523 OBNWGJLQGWAUFA-UHFFFAOYSA-N 318.446 2.414 0 40 DEAB CCN(CC)C(=O)N1CCC[C@@H](C(=O)Nc2ccccn2)C1 42395964 OFFLFJVKUGGWST-CYBMUJFWSA-N 304.394 2.194 0 40 DEAB O=C(Cc1c(F)cccc1Cl)NCCNC(=O)c1ccco1 23042418 HSABUIBHNFMCBX-UHFFFAOYSA-N 324.739 2.161 0 40 DEAB Cn1ccnc1COC(=O)c1c[nH]nc1-c1c(F)cccc1F 97147579 IQXMIPBHNWARGH-UHFFFAOYSA-N 318.283 2.445 0 40 DEAB CN(CCCC(=O)O)C(=O)COc1ccc(F)cc1Cl 37411746 FMURXRPPQHFSAQ-UHFFFAOYSA-N 303.717 2.181 0 40 DEAB O=C(O)[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 101451864 NTLXWSUYSXYVKK-BJDJZHNGSA-N 313.712 2.296 0 40 DEAB Cn1nnnc1SCc1cc(Br)ccc1F 67006583 YLZCEVAFSCOZHE-UHFFFAOYSA-N 303.160 2.404 0 40 DEAB CS(=O)(=O)CCSc1nnc(C2CC2)n1-c1ccccc1 43011998 NWWAQGQBAIIYMM-UHFFFAOYSA-N 323.443 2.281 0 40 DEAB CC(=O)N1C[C@H](C(=O)N(C)c2ccccc2)Oc2ccccc21 25010545 LWRQBENTOAGPBR-QGZVFWFLSA-N 310.353 2.464 0 40 DEAB CCOC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2C)CC1 57405652 CVFYHRBMBXJVEP-AWEZNQCLSA-N 319.405 2.096 0 40 DEAB COc1cccc(OC)c1C(=O)Nc1ccc2[nH]c(=O)oc2c1 9526635 KSXFPSBGMQJVLF-UHFFFAOYSA-N 314.297 2.391 0 40 DEAB CC(C)(CNC(=O)NC1CCN(C2CC2)CC1)N1CCCCC1 47911510 YMFBFFWJERQGJR-UHFFFAOYSA-N 322.497 2.177 0 40 DEAB CCc1ccc(-c2nc(CN3CCNC(=O)C3)cs2)cc1 57273945 FBNBRJHLXAFYCS-UHFFFAOYSA-N 301.415 2.304 0 40 DEAB O=C(O)C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 57653756 RKGFFMXEFZYAQE-OCCSQVGLSA-N 309.337 2.069 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)[S@@](=O)Cc2ccc(F)cc2)no1 58132508 HXAWMHBRZPPEBI-LADRHHBVSA-N 310.350 2.398 0 40 DEAB Cc1nc(CN2CCN(C(=O)Nc3cccnc3)CC2)cs1 44895112 CUHCKLNCQSBDIY-UHFFFAOYSA-N 317.418 2.196 0 40 DEAB Cn1cc(CC(=O)N[C@H](C(N)=O)c2ccccc2)c2ccccc21 58283168 UYRIHDFWTXDCAB-SFHVURJKSA-N 321.380 2.064 0 40 DEAB O=C(NCCn1ccnc1)Nc1ccc(N2CCCC2)c(F)c1 48138299 JRALVFMBVBFQKF-UHFFFAOYSA-N 317.368 2.444 0 40 DEAB Cc1ccc(/C=C/C(=O)N[C@@H](C)c2nnc3n2CCC3)s1 48285597 WYJRSMDKJKIVDH-AEZGRPFRSA-N 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310.357 2.356 0 40 DEAB O=C(c1cc(-c2cccs2)on1)N1CC[C@H](c2ncon2)C1 239611705 FBELNRMOMDKDMB-VIFPVBQESA-N 316.342 2.416 0 40 DEAB CS(=O)(=O)C1CCN(C(=O)c2ccc(F)cc2Cl)CC1 96366086 OISLMAISGUDMBL-UHFFFAOYSA-N 319.785 2.128 0 40 DEAB O=C(Nc1nnc(-c2ccco2)o1)[C@H]1COc2ccccc2O1 4107317 PKYYRCPXURNYTG-GFCCVEGCSA-N 313.269 2.108 0 40 DEAB O=C(NCc1nnnn1-c1ccccc1)c1cc2ccccc2o1 17200311 CQSQWVBZKSZPEF-UHFFFAOYSA-N 319.324 2.339 0 40 DEAB Cc1noc(C)c1C(=O)N1CCc2nc3ncccc3cc2C1 1890099389 ZUFHEDVFFRHFKM-UHFFFAOYSA-N 308.341 2.433 0 40 DEAB CSc1ncccc1C(=O)N[C@H]1CCN(c2ccccn2)C1 206825910 WOJIJHPSLPZLGF-LBPRGKRZSA-N 314.414 2.207 0 40 DEAB Cc1noc(C)c1CN1CCN(Cc2ccncc2F)CC1 449012772 GVHSYEASCFYPBW-UHFFFAOYSA-N 304.369 2.143 0 40 DEAB CC(C)C[C@H]1COCCN1C(=O)NCc1cccnc1N(C)C 73039714 IXFYNEXPSVAMIB-HNNXBMFYSA-N 320.437 2.104 0 40 DEAB CCc1nc2c(s1)[C@@H](N(C)CCS(=O)(=O)CC)CCC2 152495195 DCZIHKVJOPZYCK-LBPRGKRZSA-N 316.492 2.449 0 40 DEAB Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(COC1=O)N2 20086342 NCVXCMXHZHFCJR-AWEZNQCLSA-N 310.357 2.152 0 40 DEAB CC(C)CN1CCN([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 40466231 QNXNYEHVYSMPNJ-CQSZACIVSA-N 314.433 2.258 0 40 DEAB CC(=O)CN1C(=O)N[C@](C)(c2cccc(C(F)(F)F)c2)C1=O 40538746 JQTHROITAFSSRT-CYBMUJFWSA-N 314.263 2.061 0 40 DEAB CS[C@H](C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 40535774 OWNZLDXVEJQWRL-JHJVBQTASA-N 323.462 2.063 0 40 DEAB O=C(c1ccccn1)N1CCC[C@H]1c1nnc2n1CCCCC2 40817101 STEGACKQJCZQQP-AWEZNQCLSA-N 311.389 2.377 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 41122252 VNXHFCXPBKKFKQ-CYBMUJFWSA-N 301.346 2.163 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C 69709216 SGZBHGLAEMCAQV-CVEARBPZSA-N 305.422 2.309 0 40 DEAB C[C@H](O)[C@@H]1CCCCN1Cc1csc(-c2ncccn2)n1 69741142 QPLNPOXIYFLZPZ-AAEUAGOBSA-N 304.419 2.335 0 40 DEAB CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)Nc3ncnn32)c1 936836 PVHGWPSTDWSNSU-CQSZACIVSA-N 314.345 2.139 0 40 DEAB O=C(NCC(=O)N1CCc2sccc2C1)c1ccccc1 12216134 UIKSORCDVKBPHW-UHFFFAOYSA-N 300.383 2.063 0 40 DEAB COc1cccc(OC)c1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 559951 KZMKBMYOCPCYOD-UHFFFAOYSA-N 313.313 2.126 0 40 DEAB COCCNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C 79112108 ZGMFLTZWHAXIID-RDJZCZTQSA-N 319.449 2.185 0 40 DEAB CCOCCC(=O)N[C@H](c1noc(C)n1)c1ccccc1F 79351044 SXEJHLLJAAZHHM-AWEZNQCLSA-N 307.325 2.149 0 40 DEAB CC(C)(CNCc1c[nH]nc1-c1cccs1)N1CCOCC1 53945861 RALMFEOBYWKZBO-UHFFFAOYSA-N 320.462 2.339 0 40 DEAB COc1ccc(CN(C)C(=O)c2ccc(O)nc2)c(OC)c1 17919622 WWVQISZFLMXYEQ-UHFFFAOYSA-N 302.330 2.077 0 40 DEAB C[C@H](O)[C@H]1CCCCN1C(=O)c1cc(Br)cn1C 97232720 XWNZPZRUUCUJQV-GXSJLCMTSA-N 315.211 2.163 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2cn(C)c3ccccc23)CC1 24176980 VOBZGBHRVAUPNJ-UHFFFAOYSA-N 315.373 2.093 0 40 DEAB C[C@@H]1CN([C@H](CNCc2cnn(C)c2)c2cccs2)CCO1 106907899 JGGXLAIJZLWVOC-UKRRQHHQSA-N 320.462 2.033 0 40 DEAB C[C@H]1CCc2ccccc2N1C(=O)COn1nnc2ccccc21 25811778 QISBZSLGSNJFCK-ZDUSSCGKSA-N 322.368 2.228 0 40 DEAB C[C@@H]1CCCN(C(=O)C2CCN(C(=O)N[C@H](C)C3CC3)CC2)C1 43842654 XJYJGEXFKLGIBA-ZIAGYGMSSA-N 321.465 2.465 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)nc2)C1 12660272 BYRDDSKVJUXLNQ-PHIMTYICSA-N 310.781 2.396 0 40 DEAB CCc1nn2c(=O)cc(CN(C)Cc3ccsc3)nc2s1 44871800 HYEQIMDYXJITAN-UHFFFAOYSA-N 320.443 2.407 0 40 DEAB Cc1cnc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)s1 48231070 BQRLOGCKVYSKRG-NSHDSACASA-N 322.365 2.329 0 40 DEAB CCN(C(=O)CNC(=O)NC1CC1)[C@H](C)c1ccc(F)cc1 58227746 DTJDATYHVGGUJZ-LLVKDONJSA-N 307.369 2.197 0 40 DEAB Cc1cc2c(c(Br)c1N)=N[C@H](c1ccc(F)cc1)N=2 103533591 GOAMDCGGKHJEEG-CQSZACIVSA-N 320.165 2.430 0 40 DEAB O=C1C[C@@H](C(=O)N2CCc3ccccc32)CN1Cc1ccco1 28272505 SXONHDGTEOZSHN-CQSZACIVSA-N 310.353 2.217 0 40 DEAB C[C@@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C1CC1 48343373 HZPWPSHTYQDCNJ-SECBINFHSA-N 322.327 2.312 0 40 DEAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@H](O)c1ccccc1)C2=O 11381049 HHVCQDHOXHDJFK-HACGYAERSA-N 302.374 2.221 0 40 DEAB CCOc1ncccc1C(=O)NC1(C(=O)OC)CCCCC1 12818166 REPLSHDOYZPWAW-UHFFFAOYSA-N 306.362 2.086 0 40 DEAB Brc1cc2c(cc1CN1CCOCC1)OCCO2 61757402 KSDAZOJAPLGNEX-UHFFFAOYSA-N 314.179 2.053 0 40 DEAB CC[C@@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 13061341 KFDKFKDROOHGNG-CYBMUJFWSA-N 309.841 2.377 0 40 DEAB CCOc1ccccc1OCC(=O)NC[C@@H]1CCCN(CC)C1 65539329 FKXBHUDJJVSQEN-HNNXBMFYSA-N 320.433 2.312 0 40 DEAB O=C(c1cc(Br)c[nH]1)N1CCC[C@@H](n2cccn2)C1 65611234 PZSABFLRBDOONL-LLVKDONJSA-N 323.194 2.451 0 40 DEAB COc1ncccc1C(=O)NCc1nc(-c2cccs2)no1 65779136 NJCKKYUULPVKKE-UHFFFAOYSA-N 316.342 2.132 0 40 DEAB Cc1noc(C)c1C(=O)NCc1nc(-c2cccs2)n[nH]1 66430738 NFSRNOOKSCRXTC-UHFFFAOYSA-N 303.347 2.068 0 40 DEAB CCOC(=O)[C@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 71328595 JBOHIOBCUWNWNM-VIFPVBQESA-N 324.427 2.498 0 40 DEAB C[C@@H](CNC(=O)Cc1ccc(O)cc1Cl)Cn1ccnc1 96003839 VAZANWYOJDRVRP-NSHDSACASA-N 307.781 2.237 0 40 DEAB CC(C)(C)c1ccc(CN2CC[C@H](NS(C)(=O)=O)C2)s1 93531244 VXOFIEUAMDQJNU-NSHDSACASA-N 316.492 2.169 0 40 DEAB CNC(=O)[C@H]1CN(C(=O)c2cc(C)ccc2C)c2ccccc2O1 15497492 FZTZRSBJJDVEFP-QGZVFWFLSA-N 324.380 2.457 0 40 DEAB CC(=O)N(CCc1ccccc1)CC(=O)Nc1ccnc(C)c1 90604708 SWSCZXQASDBEIT-UHFFFAOYSA-N 311.385 2.420 0 40 DEAB O=C(NC[C@H](O)COCc1ccccc1)c1ccc2cc[nH]c2c1 71856855 XRVQJNWTAUZLML-KRWDZBQOSA-N 324.380 2.475 0 40 DEAB CN(C)c1ccc(C(=O)NCCNC(=O)CC2CCCC2)cc1 69493958 JYMJZOHAJXLKSD-UHFFFAOYSA-N 317.433 2.179 0 40 DEAB CC(C)N1CC[C@H](CNC(=O)c2ccc(NC3CC3)nc2)C1 69565669 MBMVBBPCSILGPI-CYBMUJFWSA-N 302.422 2.116 0 40 DEAB Cc1cnn(C[C@H](C)NCCC(=O)N[C@@H](C)c2ccccc2)c1 69571057 CVTANKVYRINNGA-HOTGVXAUSA-N 314.433 2.437 0 40 DEAB O=C(CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 8516193 ULSSRPXFKKTHRM-UHFFFAOYSA-N 323.396 2.393 0 40 DEAB CC(C)COc1ncc(C(=O)Nc2ncnn2C)cc1Cl 97084498 UIEUHRSAIASBSG-UHFFFAOYSA-N 309.757 2.151 0 40 DEAB CCn1c(C)cc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)c1C 72279153 BPAILDOWFPVGCH-CQSZACIVSA-N 300.406 2.375 0 40 DEAB NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cn1 95441825 KAADDAYQKAMTJZ-WDEREUQCSA-N 317.295 2.201 0 40 DEAB CCC[C@H](CC(=O)OC)NC(=O)CCOCc1ccccc1 95458830 BEJBCJDDXYNDBM-OAHLLOKOSA-N 307.390 2.441 0 40 DEAB COc1ccc(CCN[C@H]2C[C@@H](C)N(C3CC3)C2)cc1OC 95964878 DJPKSGABMKQRFB-HIFRSBDPSA-N 304.434 2.461 0 40 DEAB COCc1ccccc1CNC(=O)Nc1ccc2[nH]nnc2c1 89420383 HIJNWIOFHODAAJ-UHFFFAOYSA-N 311.345 2.426 0 40 DEAB COc1nn(C)c2nc(C)c(CCC(=O)N[C@@H]3C[C@@H]3C)c(C)c12 75515696 LHRREZOJXUTVGJ-TVQRCGJNSA-N 316.405 2.051 0 40 DEAB O=C(N[C@@H](Cc1nc[nH]n1)c1ccccc1)c1ncoc1C1CC1 551882636 QSMKPWUXSQTWOV-ZDUSSCGKSA-N 323.356 2.384 0 40 DEAB Cn1cc([C@@H]2CSCCN2C(=O)N[C@@H]2C=CCCC2)cn1 189544671 HGBIHLKIVWRPOM-KGLIPLIRSA-N 306.435 2.328 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)c2cc(C3CC3)[nH]n2)c1C 36613866 VOKCXBACTXDEIB-UHFFFAOYSA-N 301.394 2.393 0 40 DEAB COCCOCC(=O)Nc1cc(Br)ccc1F 79044197 WTBBSVOCHXUWTE-UHFFFAOYSA-N 306.131 2.190 0 40 DEAB Cc1cccnc1Nc1nccc([C@H]2CCCN(CCO)C2)n1 72377399 MZDRZWGPBFOEBB-AWEZNQCLSA-N 313.405 2.095 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)c2ccoc2C)c2ccccc2O1 72704810 AXZCBUDAKPGNTE-AWEZNQCLSA-N 301.298 2.169 0 40 DEAB O=C(c1ccc(=O)[nH]n1)N1CCS[C@H](c2cccs2)CC1 219465090 WCPPXAOZAKREHK-LBPRGKRZSA-N 321.427 2.152 0 40 DEAB COc1cccc(NC(=O)NCc2nc(C)cc(N(C)C)n2)c1 224187658 MDKDJQIIDNKAFW-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB Cc1nc(CCCNC(=O)[C@@H]2C[C@H]2c2ccc(C)s2)n[nH]1 80973230 MYDZGOKPWYEKOT-VXGBXAGGSA-N 304.419 2.336 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C(=O)O)cc1 225458872 ZZRVSBNTMOLOLK-SNVBAGLBSA-N 315.373 2.096 0 40 DEAB CNCCN(C)c1nc(Cl)nc(Nc2cccc(F)c2)n1 199800623 IPZPVUXMENQOIK-UHFFFAOYSA-N 310.764 2.063 0 40 DEAB Cc1cccc(N2CCC3(CC2)CN(Cc2cccnc2)C3=O)n1 96202873 SIKJPMSHNLRIER-UHFFFAOYSA-N 322.412 2.414 0 40 DEAB O=C(N1CCCC1)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2 96106637 BOXGHOPUXCNMQM-OAHLLOKOSA-N 308.422 2.252 0 40 DEAB O=C(C[C@@H]1COC[C@H]2CN(Cc3cccs3)C[C@@H]12)NC1CC1 96057277 YYIKVUDPFLWQEM-IOASZLSFSA-N 320.458 2.111 0 40 DEAB CCCNc1c(NC(=O)NCCOC)c(=O)oc2ccccc12 96456553 ZJIRPNKCUKPBLD-UHFFFAOYSA-N 319.361 2.383 0 40 DEAB COc1cc2cc(C(=O)NCC3CCOCC3)[nH]c2cc1OC 96116461 LIHZOABFAUBTMM-UHFFFAOYSA-N 318.373 2.342 0 40 DEAB biogenic CC(C)c1nn(C)cc1CN(C)C(=O)[C@H](N)c1ccccc1 97234201 FBNIOXUOMICGML-OAHLLOKOSA-N 300.406 2.202 0 40 DEAB CN(C)C(=O)CCOC(=O)c1ccc(-c2ccccc2)n1C 96441893 GKZOPHDPUIVEHE-UHFFFAOYSA-N 300.358 2.327 0 40 DEAB O=C(N[C@@H](CO)c1ccccc1)c1ccnc(OC2CCC2)c1 97232899 JTTHEMNHWHORMM-INIZCTEOSA-N 312.369 2.476 0 40 DEAB COc1cccc(F)c1CN1CCC2(CC1)OCCC[C@@H]2O 257275961 NRTJNNMPVGRNGJ-INIZCTEOSA-N 309.381 2.340 0 40 DEAB CCn1cc(C(=O)N2CCC3(CC2)OCCC[C@@H]3OC)c(C)n1 257281859 ORGSGPPDUXINCV-HNNXBMFYSA-N 321.421 2.012 0 40 DEAB Cc1ncsc1C(=O)N1CC[C@H](c2ccnc3nccn23)C1 257262316 LKXPCVGKYJJGJW-NSHDSACASA-N 313.386 2.124 0 40 DEAB CC(=O)N(C)C[C@H]1CC[C@H](c2cc(CN(C)C)n(C)n2)CC1 257287196 POXHDSHEABYMPO-SHTZXODSSA-N 306.454 2.234 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2 257173027 ANTQBSWWOTUELY-UHFFFAOYSA-N 312.373 2.437 0 40 DEAB COc1ccc2c(c1)CCCCN2C(=O)[C@H]1CCCCC(=O)N1 279803284 SVAPWPTVIJZBJK-OAHLLOKOSA-N 316.401 2.423 0 40 DEAB FC(F)(F)Cn1nnnc1-c1ccnc(Br)c1 685937953 CUEIODNBVZAVIS-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB Cn1ncc2c(NCCCN3CCc4ccccc43)ncnc21 26774814 AVCPZOWYQVFODG-UHFFFAOYSA-N 308.389 2.228 0 40 DEAB C[C@H](N)[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 97020526 MOQSMSPTBHPHDB-ZANVPECISA-N 306.303 2.393 0 40 DEAB COc1ccnc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)c1 89981764 GGXOWELULIZQLW-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)oc2ccccc12 643550355 VODNBEKRXCSHNN-UMVBOHGHSA-N 303.358 2.135 0 40 DEAB COC(=O)C[C@@H]1CN(Cc2ccc(Cl)cc2F)CCO1 163937615 UXMDAHRYWYHWOB-GFCCVEGCSA-N 301.745 2.243 0 40 DEAB CC(C)N1CCC2(CC1)CC(=O)NCCc1ccccc1N2 2037985851 YPTKKAIXISMXTE-UHFFFAOYSA-N 301.434 2.404 0 40 DEAB CNC(=O)[C@H]1CCC[C@@]12CCN(C(=O)Cc1cccc(F)c1)C2 1565543254 CRQMUXCRRRUIRJ-QAPCUYQASA-N 318.392 2.133 0 40 DEAB O=c1[nH]c(=O)n(COCc2ccccc2)cc1Nc1ccccc1 1443589 PTWGGDNGTCLNKT-UHFFFAOYSA-N 323.352 2.455 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCC[C@H](O)c1ccco1 77111611 HWMKODFXBGHYDP-LBPRGKRZSA-N 313.350 2.129 0 40 DEAB CCc1nn2c(=O)cc(CNc3cccc(F)c3)nc2s1 30285814 RIQOZSDNRHWYRW-UHFFFAOYSA-N 304.350 2.465 0 40 DEAB Cc1ccc(C(=O)CCC(=O)N[C@H](C)Cn2cccn2)s1 31394276 HAVKKKGTVQKUHZ-LLVKDONJSA-N 305.403 2.421 0 40 DEAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H]1CCCO1)CC3 20762453 HCRWJTXKKZZSCA-INIZCTEOSA-N 300.358 2.240 0 40 DEAB biogenic CC(=O)Nc1ccc(N[C@@H]2CC(=O)N(CCC(C)C)C2=O)cc1 101490240 HQLMOZOIQWPBOO-OAHLLOKOSA-N 317.389 2.231 0 40 DEAB CC1CCC(NC(=O)CSc2nc([C@H]3CCCO3)n[nH]2)CC1 32883938 YRPWOPPEGWASRS-HTAVTVPLSA-N 324.450 2.443 0 40 DEAB CC[C@@H](C)C(=O)NCc1ccccc1CN1CCN(C)CC1 41577395 WJILHJZSDHYBDA-OAHLLOKOSA-N 303.450 2.096 0 40 DEAB Cc1ccc(Br)cc1C(=O)OCCn1cncn1 76090307 XQKVUWSRFUGAED-UHFFFAOYSA-N 310.151 2.206 0 40 DEAB O=C1N[C@H](c2cccc3c2OCO3)N=C2Oc3ccccc3C=C12 1558483 SCVINILJQJYXLK-INIZCTEOSA-N 320.304 2.418 0 40 DEAB CCC(=O)N1CC[C@@H](NCc2cccc3c2OCCO3)[C@H](C)C1 78897370 ZCMOUTXKNIWPPL-UKRRQHHQSA-N 318.417 2.194 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2csc(Br)c2)C1 37436091 SJGRAAGMHAUFMN-ZETCQYMHSA-N 318.192 2.447 0 40 DEAB CC(=O)N[C@@H](CC(=O)NCc1cc(C)no1)c1ccc(C)cc1 61623584 QKRAEVKIADCOIH-INIZCTEOSA-N 315.373 2.175 0 40 DEAB CC(C)c1cc(C(=O)N2CC[C@@H](N)C2)c2cnn(C(C)C)c2n1 97019564 ZXYMCGXDUBVWTN-GFCCVEGCSA-N 315.421 2.309 0 40 DEAB Cc1nc(CC(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)cs1 22841751 XPKWMPJHSMOPOH-GWCFXTLKSA-N 310.419 2.232 0 40 DEAB CN(C)[C@H](CNc1ncnc2c1cnn2C)c1cccs1 12485812 POUCQNWIHITFRG-LLVKDONJSA-N 302.407 2.140 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1 97050004 DOWQLAQSGOPLGT-OAHLLOKOSA-N 313.357 2.011 0 40 DEAB Cc1ccc(C[C@@H](CNC(=O)c2scnc2C)C(=O)O)cc1 97018854 DKGBKTXBGPDGSC-ZDUSSCGKSA-N 318.398 2.433 0 40 DEAB CCOC(=O)N(C)C1CCN(Cc2cnc3ccccn23)CC1 95413156 MUMXRWVWUBJFLG-UHFFFAOYSA-N 316.405 2.387 0 40 DEAB COC(=O)C1(NC(=O)CCc2c(C)noc2C)CCCCC1 25173317 PJXXSSDRICOWMF-UHFFFAOYSA-N 308.378 2.216 0 40 DEAB O=C(NCc1ccccc1)N1CCCN(C[C@H]2CCCO2)CC1 47955113 CBXZGWIVLQCQST-QGZVFWFLSA-N 317.433 2.083 0 40 DEAB Cc1occc1CN(C)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 56252286 ONKRGDCSBGRTLQ-WFASDCNBSA-N 308.403 2.000 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C1 3275862 RWYDXYXBKGHQEK-KBPBESRZSA-N 318.417 2.414 0 40 DEAB Cc1sc2nc([C@@H](C)N3CCC[C@@H](O)C3)nc(N)c2c1C 108058364 IQYADMLHIKQHGA-MWLCHTKSSA-N 306.435 2.408 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(O)cc1 3263146 BHEVERBDOLQYLQ-UHFFFAOYSA-N 311.337 2.134 0 40 DEAB COc1ccc(NC(=O)N(C)Cc2ccc(O)c(OC)c2)cn1 48019531 XVWNEQBABGVPRE-UHFFFAOYSA-N 317.345 2.468 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(Cl)c1C 58265980 SFMHMKUPNDGLTK-NSHDSACASA-N 315.826 2.377 0 40 DEAB COc1ccc(-c2cc(C(=O)NCc3ccncc3)n[nH]2)cc1 57477254 UTFIJZTVWDRNDU-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB O=C(COCC1CC1)NCc1ccnc(OC2CCCC2)c1 58390573 FYNQQIORWOQKHC-UHFFFAOYSA-N 304.390 2.446 0 40 DEAB Nc1cccc(Cl)c1N1CCN(C(=O)c2cccnc2)CC1 57332125 BKIUCLOLFDJTQX-UHFFFAOYSA-N 316.792 2.280 0 40 DEAB CC(=O)N(C)C1CCN([C@H](C)C(=O)Nc2ccccc2F)CC1 48374011 GVGXDJCMPJAUSY-GFCCVEGCSA-N 321.396 2.095 0 40 DEAB C[C@@H]1CCCCN1C(=O)COc1ccc(Cl)cc1C(N)=O 19042500 CVBGPTQECAJBJQ-SNVBAGLBSA-N 310.781 2.219 0 40 DEAB COCc1cccc(C(=O)Nc2cnn(-c3ncccn3)c2)c1 72291558 VNTTWVCDUZDFEP-UHFFFAOYSA-N 309.329 2.061 0 40 DEAB CC(C)N(CC(N)=O)Cc1cc(Br)ccc1F 49392319 AUZXIXWXKJMJNY-UHFFFAOYSA-N 303.175 2.284 0 40 DEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc4c(c3)COC4)ccc21 64407350 NAUSSENNZMKAOK-UHFFFAOYSA-N 323.352 2.160 0 40 DEAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1 5189030 QLLOACKXILORKY-UHFFFAOYSA-N 323.801 2.430 0 40 DEAB N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)c(Cl)c1 5369825 GURAPXCBWUNYJF-UWVGGRQHSA-N 320.798 2.133 0 40 DEAB CC(C)(C)n1cc(NS(=O)(=O)c2ccc(C(=O)O)cc2)cn1 65833903 RRPILZZFMFDCDP-UHFFFAOYSA-N 323.374 2.137 0 40 DEAB Cc1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)N(C)C 6866622 OALFFGNRWWTPTH-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(Cc2ccco2)C1 7264518 ZIQXZSDEDKZBTN-CYBMUJFWSA-N 304.390 2.467 0 40 DEAB O=c1c2ccccc2nnn1Cc1ncc(-c2ccccc2)o1 7393419 JBCHHOFTLSGIBR-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB Cc1cccc(CNC(=O)CCc2nc(-c3ncccn3)no2)c1 67969651 YAIGERMYJKBZTB-UHFFFAOYSA-N 323.356 2.084 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 16443768 KYJJVNVQYKQHRD-FRRDWIJNSA-N 304.390 2.325 0 40 DEAB O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCSCC1 67284294 WTSKCHBHFHMQQY-UHFFFAOYSA-N 323.809 2.391 0 40 DEAB Cn1ccc(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 95439773 QYVWYRHMZZKIRG-UHFFFAOYSA-N 316.785 2.437 0 40 DEAB O=C(NCCC(=O)N1CCCC1)Nc1cccc2cccnc12 69350832 CNNPLIXMXWIQSJ-UHFFFAOYSA-N 312.373 2.369 0 40 DEAB O=S(=O)(Cc1ccc(Cl)nc1)N[C@H]1CCCSC1 96452739 CIWXHNZYEYPQJU-JTQLQIEISA-N 306.840 2.050 0 40 DEAB COc1ccccc1-n1nnnc1SCc1cc(C)on1 8340078 YKZHGBUTGKNPDT-UHFFFAOYSA-N 303.347 2.260 0 40 DEAB O=C(NCCCNC(=O)c1ccccc1F)c1cccs1 8402230 MVYOYHVTVJKUCN-UHFFFAOYSA-N 306.362 2.437 0 40 DEAB CCc1noc(CCCC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)n1 69512453 PJLJLLKDXAYSKT-KBPBESRZSA-N 320.437 2.040 0 40 DEAB O=C(CCc1ccco1)N[C@H]1CC(=O)N(Cc2ccccc2)C1 69698485 HVQLPWPMMHUMGO-HNNXBMFYSA-N 312.369 2.130 0 40 DEAB CCc1nc(CN2CCC[C@H](N(C)C[C@@H]3CCCCO3)C2)no1 71882285 HXVJNFJFZGCLFY-GJZGRUSLSA-N 322.453 2.097 0 40 DEAB CCCc1noc([C@H](C)N(C)CC2CCN(C[C@@H](C)O)CC2)n1 69778733 LPYAMEPDSAYNCJ-KGLIPLIRSA-N 324.469 2.108 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@@H](n2ccnc2)C1 69840777 JYJLACIVNOVFDK-CYBMUJFWSA-N 310.357 2.431 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)CCc1ccsc1)C2 69948554 BCFRIUIUXLGVQT-UHFFFAOYSA-N 304.419 2.438 0 40 DEAB Cc1cc(O)n2nc(NC(=O)c3ccccc3Cl)nc2n1 8738415 UMRGFLQUSMNSIV-UHFFFAOYSA-N 303.709 2.044 0 40 DEAB CC(C)(C)N1CCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)CC1 71818513 KHJNSMPXXILXNS-CQSZACIVSA-N 315.417 2.055 0 40 DEAB Nc1cc(=O)[nH]c(SCC(=O)c2ccc3ccccc3c2)n1 19926956 VMDJPUWKFLPMLO-UHFFFAOYSA-N 311.366 2.480 0 40 DEAB O=C(CCc1nc(C2CCCC2)no1)NCC[C@@H]1CCCO1 95416415 POLRIVUWVPQYFF-ZDUSSCGKSA-N 307.394 2.345 0 40 DEAB O=C(NCCCCn1ccccc1=O)N1C[C@@H]2CC=CC[C@H]2C1 74266592 RWNSJDYNTYEEGO-HOTGVXAUSA-N 315.417 2.236 0 40 DEAB Cc1cccn2c(=O)cc(CN[C@@H]3CC(C)(C)OC3(C)C)nc12 95946097 KVPKGQJJEQEUHD-CQSZACIVSA-N 315.417 2.439 0 40 DEAB NC(=O)c1ccc(NC(=O)NC[C@H]2C[C@@H]2c2ccccc2)cn1 95980622 AZTCVCOVARPDHR-TZMCWYRMSA-N 310.357 2.106 0 40 DEAB NC(=O)NCCCCC(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F 95947647 VZAGZVZYASQMBC-VHSXEESVSA-N 309.332 2.062 0 40 DEAB CNC(=O)COc1cccc(OC(=O)CCc2ccsc2)c1 95981788 GURZEDFXPUHOCJ-UHFFFAOYSA-N 319.382 2.411 0 40 DEAB CCN(CC)C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 95944314 ILOUEDSQPQGMAG-HNNXBMFYSA-N 304.390 2.422 0 40 DEAB C[C@H](CN(C)C(=O)c1cc2c(s1)CCCCC2)c1nnn[nH]1 95939711 HEGAZPAQBVFUGV-SNVBAGLBSA-N 319.434 2.406 0 40 DEAB O=C(Cn1cnc(C2CCC2)cc1=O)Nc1ccccc1F 89704677 WWDKYFYEGYJLBZ-UHFFFAOYSA-N 301.321 2.289 0 40 DEAB CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21 20487330 HNFLFUDUKMQGRX-UHFFFAOYSA-N 322.430 2.115 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)c1cc2c(s1)CCCC2 36613024 VSFFRBSFFAHEDA-GFCCVEGCSA-N 308.447 2.077 0 40 DEAB CCN1CC[C@@H](N(C)CCn2c(=O)oc3ccccc32)C[C@@H]1C 72293962 RIHXBKJHUAAUOO-LSDHHAIUSA-N 317.433 2.399 0 40 DEAB CC(C)[C@H](N)C(=O)N(C(C)C)[C@H]1CCN(Cc2ccccc2)C1 79404688 JJBBCQQKPUMVNM-ROUUACIJSA-N 317.477 2.481 0 40 DEAB CCOc1ncc(C(=O)N[C@@H](C)Cn2ccnc2)cc1Cl 78998896 WKRBIHHGLYKDOP-JTQLQIEISA-N 308.769 2.149 0 40 DEAB COc1cccc([C@H]2[C@H](N)C(=O)N2Cc2ccc(F)cc2)c1 72228215 IEGPLOSUACSWNI-HOTGVXAUSA-N 300.333 2.245 0 40 DEAB N[C@@H]1C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccco1 72227287 PQLUFAUBKUCADG-RYUDHWBXSA-N 307.147 2.457 0 40 DEAB NC[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 218627160 BCMYXZPPJCITDG-OWCLPIDISA-N 305.374 2.340 0 40 DEAB Cc1ccc(-c2snnc2C(=O)NC[C@H]2CCCO2)cc1 72240038 UUYBDSKHIWROAV-GFCCVEGCSA-N 303.387 2.422 0 40 DEAB COCC(=O)N1CC[C@H]1c1cc(Nc2ccccc2)nc(C)n1 72387447 DPBSLPWWINPURV-HNNXBMFYSA-N 312.373 2.448 0 40 DEAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 40556079 ACWQDCNKGCKRJD-ZDUSSCGKSA-N 318.373 2.187 0 40 DEAB Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)C1CCS(=O)CC1 81833309 VRQRUESZRZDLEU-FCMDLWKCSA-N 305.443 2.468 0 40 DEAB COc1cccnc1NC(=S)NCc1ccc2c(c1)OCO2 225377762 QSORNHIFCPFMSZ-UHFFFAOYSA-N 317.370 2.306 0 40 DEAB Cc1cc(Cl)cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1 225425706 WBFFMZAMIBHWNA-OLZOCXBDSA-N 310.825 2.176 0 40 DEAB CCCOc1ccc(NC(=O)C(=O)NCc2ccco2)cc1 192679645 DQYOUPYZDJODFI-UHFFFAOYSA-N 302.330 2.323 0 40 DEAB c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 96047715 PABDGCHCXFCCED-HOCLYGCPSA-N 316.430 2.384 0 40 DEAB Cn1ccc(-c2cc(C(=O)NC[C@@H]3CCCO3)c3ccccn23)n1 96266654 IYMGVULJDPFZDF-ZDUSSCGKSA-N 324.384 2.249 0 40 DEAB CCn1ncc2c1CN(Cc1c(C)noc1C)C[C@@H]2COC 96044565 GLVFDBAMRPMAGB-CYBMUJFWSA-N 304.394 2.254 0 40 DEAB CC(C)c1cnc(COc2ccc(C(=O)NCCO)cc2)o1 96419529 STJLDQWSUXFCBX-UHFFFAOYSA-N 304.346 2.099 0 40 DEAB C[C@H]1OCC[C@H]1C(=O)NCCCc1nc2ccccc2n1C 92461777 KMOZUQMXMYTVIW-CHWSQXEVSA-N 301.390 2.047 0 40 DEAB O=C(N[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@@H]21)C1CCC1 97953471 BDZMWDMBUFWSDS-BBWFWOEESA-N 318.417 2.175 0 40 DEAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CCn1ccnn1 332090550 AYRWPFSMLOCHQZ-VXGBXAGGSA-N 302.353 2.342 0 40 DEAB CN(Cc1nc2ccccc2n1C)c1cc(Cl)nc(N)n1 96418707 UEKUVIGDCIADGL-UHFFFAOYSA-N 302.769 2.235 0 40 DEAB Cn1cc(CN2C[C@H]3CCC[C@@H](CN4CCCC4)[C@H]3C2)cn1 96081880 VSJDEDXTDSDGMT-RCCFBDPRSA-N 302.466 2.364 0 40 DEAB CC1(C)CC(=O)N(CC(=O)N2CCSCC2)c2ccccc21 96183236 HXJWPAIXSLJFSV-UHFFFAOYSA-N 318.442 2.276 0 40 DEAB Cc1ccc2c(C)c(C(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)oc2c1 257315378 VBBZWMBPFOJPPJ-IIAWOOMASA-N 317.385 2.444 0 40 DEAB CC(=O)NCc1cnc([C@H]2CCN(CCc3ccccc3)C2)[nH]1 257239400 HPCQUXBCZFYVFG-INIZCTEOSA-N 312.417 2.078 0 40 DEAB CCOc1nc(CC2CCNCC2)cc(Nc2cc(C)n[nH]2)n1 257219949 DIYIFFIMSOGKTD-UHFFFAOYSA-N 316.409 2.193 0 40 DEAB Cc1csc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1 257229190 FXAYPAXVDDDOPU-UMVBOHGHSA-N 308.447 2.116 0 40 DEAB Cc1ccc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)cn1 257287938 PSCYCWPIUPXYON-OAHLLOKOSA-N 312.373 2.352 0 40 DEAB O=C(Nc1cccc2c1OCCO2)NC1CCC(C(=O)O)CC1 263476434 JITHLIAYBCPEMM-UHFFFAOYSA-N 320.345 2.223 0 40 DEAB Cc1nc[nH]c1CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585278262 AQQZFOIKSGRHIV-PBHICJAKSA-N 303.381 2.283 0 40 DEAB O=C(NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O)c1ccoc1 585283727 CZJMDPHXPHLJAZ-HFBAOOFYSA-N 319.332 2.367 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1cc[nH]c(=O)c1 69442268 RLPGLZAIRRZPTR-UHFFFAOYSA-N 323.352 2.197 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1 48090551 AKQNNGGNQTWHHM-GFCCVEGCSA-N 321.373 2.119 0 40 DEAB COc1cccc([C@H]2CCCN2C(=O)NCc2cnn(C)c2)c1 54808044 KFJKDCWNJZWBBL-MRXNPFEDSA-N 314.389 2.475 0 40 DEAB CC(C)[C@@H]1CN(C(=O)NCc2cccc(CO)c2)CCS1 74108785 AFUPENLVNWEECF-HNNXBMFYSA-N 308.447 2.462 0 40 DEAB COCC(=O)Nc1ccnn1Cc1cccc(Br)c1 58065428 FGUREPVHOZALFU-UHFFFAOYSA-N 324.178 2.279 0 40 DEAB CCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O 12290144 OKWUIQFBPLRZCX-UHFFFAOYSA-N 300.337 2.271 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 169305957 VYTIHJCAZFZCNH-CZPYZCIJSA-N 311.337 2.314 0 40 DEAB C[C@@](O)(CNC(=O)NCCc1ccccc1)Cc1ccco1 206622926 ATHJTHBCJJPCMD-KRWDZBQOSA-N 302.374 2.115 0 40 DEAB COc1cccc(NC(=O)COC(=O)/C=C/c2ccco2)c1 3388363 WSKXOBDZOLJWLI-BQYQJAHWSA-N 301.298 2.483 0 40 DEAB COC(=O)c1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 2627285 PTLLLXDPQDYQMH-UHFFFAOYSA-N 313.140 2.385 0 40 DEAB CCOc1ccc(NC(=O)CCc2c(C)nc(C)[nH]c2=O)cc1 9726110 STZTUHHAVGZJIZ-UHFFFAOYSA-N 315.373 2.357 0 40 DEAB Cc1cc(N2C[C@H]3CCCC[C@]3(CO)C2)n2nc(C)cc2n1 1888853954 HDLLRWVCIGMLTI-RHSMWYFYSA-N 300.406 2.335 0 40 DEAB O=C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 9578483 LSISOGQBQIKONB-UHFFFAOYSA-N 308.186 2.347 0 40 DEAB Cc1csc2nc(CNS(=O)(=O)c3cccs3)cn12 4033768 QJXVISOOVFEFCY-UHFFFAOYSA-N 313.429 2.244 0 40 DEAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(O)nn1 30136588 SKIZYPUMWFDIMN-UHFFFAOYSA-N 301.390 2.471 0 40 DEAB O=C(Nc1cccnc1)N1CCN(Cc2ccsc2)CC1 40474163 IDECSZZCZADPBO-UHFFFAOYSA-N 302.403 2.493 0 40 DEAB Cn1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1=O 31792555 QZWLRMXNOFNWFS-CYBMUJFWSA-N 300.383 2.352 0 40 DEAB COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1 40506167 RWQQOVRRDOMDIB-HNNXBMFYSA-N 318.417 2.349 0 40 DEAB CCc1ccc(OCC(=O)NCc2c(C)nn(C)c2C)cc1 2762365 WKVDPQQWGFAHLU-UHFFFAOYSA-N 301.390 2.295 0 40 DEAB COc1ccc2c(c1)[nH]c1c(=O)n(Cc3cccnc3)cnc12 530597 FMNVHJQFZWAECJ-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB CCOCCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(C)c1 78819513 VYIWEJREVNQYTM-CQSZACIVSA-N 322.430 2.262 0 40 DEAB CN(C[C@@H]1CCCN1Cc1nccn1C)C(=O)OC(C)(C)C 78947832 CTRQYUYWXOAZQM-ZDUSSCGKSA-N 308.426 2.251 0 40 DEAB CN(CC[C@@H]1CCOC1=O)CC(=O)Nc1ccc(Cl)cc1 79058590 QDPQAYCBHDSLCW-LLVKDONJSA-N 310.781 2.164 0 40 DEAB COc1cccc(-c2cnc(CSc3n[nH]c(=O)n3C)o2)c1 79092982 HTANTQMVTSXXCO-UHFFFAOYSA-N 318.358 2.064 0 40 DEAB COC(=O)c1ccc(N(C)C)c(NC(=O)CC(=O)C(C)(C)C)c1 3204267 SPLWNZJXPDLZRO-UHFFFAOYSA-N 320.389 2.483 0 40 DEAB COc1ccc(CNC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)cc1 6394671 JBKDXFIRKXJJTL-MSOLQXFVSA-N 317.385 2.433 0 40 DEAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccncc2)C1=O 6937281 CWAMIFAVUYLZLH-ZDIKFAODSA-N 320.370 2.460 0 40 DEAB c1ccc(-c2nnn(Cc3nc(-c4cccs4)no3)n2)cc1 8277719 RUKGHYJOQCGFRW-UHFFFAOYSA-N 310.342 2.500 0 40 DEAB CC(C)CNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCO2)cc1 47729426 NRKYGTHTNRNHHS-HNNXBMFYSA-N 319.405 2.373 0 40 DEAB O=c1c(F)cn([C@H]2CCCO2)c(=O)n1C/C=C/c1ccccc1 1274849 MMDSQMURVVAJJD-SGJXGLNRSA-N 316.332 2.172 0 40 DEAB CC(C)(C)C[C@@H](NC(=O)N[C@@H]1CCCCNC1=O)C(F)(F)F 97046712 MQYJUSGZYXBFHY-NXEZZACHSA-N 323.359 2.321 0 40 DEAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)C1 55400698 UGQVJTIKUXFGOB-CHWSQXEVSA-N 304.390 2.266 0 40 DEAB Cc1cnc(CS(=O)(=O)CC2(O)CCC(C)CC2)s1 97034908 CWQAXZIBOBHRIG-UHFFFAOYSA-N 303.449 2.308 0 40 DEAB CCOC(=O)c1c(SCC)nn2c(=O)c(Cl)c(C)[nH]c12 103584534 BWQPSJWHFJMZLX-UHFFFAOYSA-N 315.782 2.273 0 40 DEAB CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccccn2)cc1 58250578 HIHCVBXVAOKVRO-UHFFFAOYSA-N 319.386 2.486 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)c1cc(C)nc2c1c(C)nn2C 58214710 KINPGCUDGUQPMP-CYBMUJFWSA-N 316.405 2.084 0 40 DEAB C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCO2)[C@@H]1CCCO1 44971024 CEXDGIZJGPXZKF-AAEUAGOBSA-N 306.362 2.124 0 40 DEAB COc1ccccc1-c1nc(C(=O)NC[C@@H](C)N(C)C)cs1 58796138 NFZGHXPKJMSPRI-LLVKDONJSA-N 319.430 2.499 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN[C@H](C)CN2CCCC2=O)o1 48382332 WSRJFOBGCSWUIU-LLVKDONJSA-N 302.378 2.079 0 40 DEAB COc1ccc(OCC(=O)NCc2ccccc2)c(C(=O)O)c1 13086439 KSDXYLXVWNSJOP-UHFFFAOYSA-N 315.325 2.089 0 40 DEAB O=C(COc1ccc(F)cc1)NCc1ccc(C(=O)O)cc1 13166384 MATWDMFOLLXGAY-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB CC[C@H](Oc1cccc(C(=O)O)c1)C(=O)Nc1cc(C)on1 13248255 WADHSQNLLMRIIX-LBPRGKRZSA-N 304.302 2.477 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1)C(=O)N1CCCCC1 63582169 ZEHJJLVJSRTFHS-RCBQFDQVSA-N 318.392 2.446 0 40 DEAB CC[C@@H]1CCCCN1C(=O)c1cc(S(N)(=O)=O)c(C)cc1C 71185116 CAWZEJJJKIHHOV-CYBMUJFWSA-N 324.446 2.356 0 40 DEAB CCN1N=C(C(=O)N2CCCC[C@@H]2c2nccs2)CCC1=O 72285889 XLVMWCRPQARHGY-GFCCVEGCSA-N 320.418 2.195 0 40 DEAB O=C1C[C@@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]21 4320362 WUBBQKFOTWRYOJ-MWQQHZPXSA-N 318.332 2.041 0 40 DEAB O=c1c2ccccc2c(O)nn1CC[C@H]1NCc2ccccc2N1 409204936 DNQFYDZQBIDVIX-INIZCTEOSA-N 322.368 2.034 0 40 DEAB Cc1cccn2c(CC(=O)N3CCC[C@@H]3Cn3cccn3)cnc12 65502262 MXUMKSFJEVKJEB-OAHLLOKOSA-N 323.400 2.073 0 40 DEAB Cc1ccccc1CNC(=O)CCNC(=O)OCC(F)(F)F 65595689 LQNMNUCMRCFDAF-UHFFFAOYSA-N 318.295 2.290 0 40 DEAB COc1ccc(-c2csc(NC(=O)N[C@H](C)CO)n2)cc1 65609396 NRQOOJIDQOJZNL-SECBINFHSA-N 307.375 2.321 0 40 DEAB Cc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1 6772539 FZYVRDMGQSPKPN-UHFFFAOYSA-N 321.384 2.147 0 40 DEAB Nc1nc(SCc2nc(-c3ccc(Cl)cc3)no2)n[nH]1 7339582 LJGODWGQBXDBTQ-UHFFFAOYSA-N 308.754 2.383 0 40 DEAB COCOc1ccc(OC)cc1CN1C[C@H]2CCCN2C[C@H]1C 93437601 NDTMUZAEZHSZQM-GDBMZVCRSA-N 320.433 2.346 0 40 DEAB Cc1cccc(COC(=O)[C@H](Cc2ccccc2)NC(N)=O)c1 7781486 IZRJICTYOAJYES-INIZCTEOSA-N 312.369 2.318 0 40 DEAB NC(=O)c1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1 16121963 BBKMOLPVJBVNDZ-UHFFFAOYSA-N 313.744 2.197 0 40 DEAB CC[C@H](CCNC(=O)c1ccc(N(C)C)cc1)N1CCCC1=O 69350705 TXHYRUJXVXVLSP-OAHLLOKOSA-N 317.433 2.274 0 40 DEAB CCc1nc2n(n1)C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2 69652275 BCUBDJJORIZVKR-OAHLLOKOSA-N 322.416 2.131 0 40 DEAB O=C(Nc1cc[nH]n1)c1csc(I)c1 69738719 KZJLEQGAHHHHRU-UHFFFAOYSA-N 319.127 2.328 0 40 DEAB Cc1cnn(C[C@H](C)NCc2nc(-c3ccsc3)no2)c1 69707132 CHWCECVVXKEWJR-NSHDSACASA-N 303.391 2.481 0 40 DEAB CC1=C2C[C@H]([C@]3(N)CC4(CC4)NC3=O)[C@@H](O)C[C@@]2(C)CCC1 96336893 CZASCEJNNSBZGY-KJGCVMFHSA-N 304.434 2.014 0 40 DEAB CC[C@@H]1CN(CCOc2ccccc2F)CCN1CCOC 69849539 LHSSAOPNAZCXSD-OAHLLOKOSA-N 310.413 2.247 0 40 DEAB CCN(Cc1ccc(O)cc1)C(=O)Nc1cnn(CCOC)c1 69844933 IQXDXZVSLMHWOM-UHFFFAOYSA-N 318.377 2.289 0 40 DEAB Cc1cccc(-c2noc(CN[C@@H]3CCc4nc(C)nn4C3)n2)c1 69969371 UDCQNCRMWMLVPY-CQSZACIVSA-N 324.388 2.050 0 40 DEAB Cc1csc(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)n1 71836380 JDWYDWFBORJXKX-QWHCGFSZSA-N 317.414 2.497 0 40 DEAB CC1(C)NC(=O)N(C[C@H](O)c2ccccc2C(F)(F)F)C1=O 71821835 SEJNCWGAWCQALH-JTQLQIEISA-N 316.279 2.069 0 40 DEAB CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnccn1 71905567 AZWDFCLTBBEXOJ-MRXNPFEDSA-N 322.409 2.146 0 40 DEAB C[C@](O)(CNC(=O)Nc1cccnn1)c1ccccc1Cl 97142530 HTVJNTRWGGIIJI-AWEZNQCLSA-N 306.753 2.159 0 40 DEAB CC(C)OC(=O)c1ccn(CC(=O)c2ccccc2F)c(=O)c1 97115320 ADBOTPGPWDVQRW-UHFFFAOYSA-N 317.316 2.436 0 40 DEAB Cc1[nH]ccc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccccc1 95965371 DMLBXPRTLUSOBW-HNNXBMFYSA-N 312.369 2.437 0 40 DEAB Cc1nc2ccccc2c(NC(=O)c2ccc(=O)n(C)n2)c1C 95943472 QEOAXAMAGSVIFR-UHFFFAOYSA-N 308.341 2.198 0 40 DEAB C[C@@](O)(CNC(=O)c1nc(Cl)ccc1Cl)C(F)(F)F 89901180 JQXDJPGMLWGBIW-SECBINFHSA-N 317.094 2.432 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306133254 MGTYKXFRUVABFD-ZDUSSCGKSA-N 322.380 2.263 0 40 DEAB CCOC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 408551409 HTYRYKWEBASGSM-UHFFFAOYSA-N 300.380 2.332 0 40 DEAB Cc1nnc2c(Nc3cccc(Cl)c3)nc3nonc3n12 408735542 RXMBVGZLUOWCLD-UHFFFAOYSA-N 301.697 2.366 0 40 DEAB Cc1noc(CCNC(=O)NCc2ccc(C3CC3)cc2)n1 188193545 FTNLCUDPIOJBQK-UHFFFAOYSA-N 300.362 2.297 0 40 DEAB C[C@]1(C(=O)O)CCCN1CC(=O)Nc1ccc(Cl)c(F)c1 530205991 KKVYMNSOYBQOBX-CQSZACIVSA-N 314.744 2.357 0 40 DEAB CCc1cc(N[C@H](C)COCC(F)(F)F)n2ncnc2n1 71836857 PXLSYTFCNWBROD-MRVPVSSYSA-N 303.288 2.066 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)Nc2cc(OC)ncn2)C12CCCC2 182209660 WNYIGASQYSAGMC-NEPJUHHUSA-N 320.393 2.345 0 40 DEAB Cc1csc([C@H]2COCCN2Cc2noc(C3CC3)n2)n1 189294111 AEYDBRQWYIWTMO-LLVKDONJSA-N 306.391 2.285 0 40 DEAB O=c1ccccn1S(=O)(=O)c1cc(Cl)ccc1Cl 39931823 SUQUWOWOBYKCGO-UHFFFAOYSA-N 304.154 2.392 0 40 DEAB COc1ccc(C(=O)NC[C@]2(O)CCCc3occc32)cc1F 1565522760 OTAXASXLOHHSEU-QGZVFWFLSA-N 319.332 2.381 0 40 DEAB NC(=O)CN1CCC[C@@H]1c1cccc(Cc2cccc(F)c2)n1 72367506 JSAHFTGCDBWQKT-QGZVFWFLSA-N 313.376 2.434 0 40 DEAB COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cc(C)no2)c1 188358657 SXDKNWMZRLPBIX-UKRRQHHQSA-N 316.357 2.420 0 40 DEAB COc1cccc2c1N(CC(=O)Nc1cc(C)nn1C)CCC2 79354036 FUPOWBKUAZWPKF-UHFFFAOYSA-N 314.389 2.128 0 40 DEAB CC1(C)NC(=O)N(CCCN2CCCc3ccccc32)C1=O 41625849 XWXRQZZBOCZTPZ-UHFFFAOYSA-N 301.390 2.160 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(N)=O)ccc2C)cc1 224302655 OSMNBVABASCJNB-UHFFFAOYSA-N 318.398 2.227 0 40 DEAB c1ccc(CN2CCCN(c3ncnc4nc[nH]c34)CC2)cc1 44990233 UNBPADMMMVOXOA-UHFFFAOYSA-N 308.389 2.065 0 40 DEAB CCOc1c(Cl)cccc1Cc1nc(CC(=O)NC)no1 191321572 JWCAQAQVMYZVKY-UHFFFAOYSA-N 309.753 2.001 0 40 DEAB C[C@@]1(C(=O)NCCc2cccs2)Oc2ccccc2NC1=O 40776476 GZSCASDIPUTFNQ-INIZCTEOSA-N 316.382 2.197 0 40 DEAB CC1=Nc2c(C)cccc2[C@H](OCC(=O)N2CCOCC2)C1 227148482 AJJJBDMYHPJIFM-OAHLLOKOSA-N 302.374 2.408 0 40 DEAB Cc1cccc(CN2CC[C@]3(CC(=O)N(c4ccccn4)C3)C2)n1 96239143 BXUQDXAGMLDNRH-IBGZPJMESA-N 322.412 2.414 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccc1F)C2 96039203 OWRWRIVWMQXCDG-SJLPKXTDSA-N 321.392 2.412 0 40 DEAB CCn1c(C)cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c1C 95425945 QRIAATYQLQRYIH-HUUCEWRRSA-N 308.447 2.471 0 40 DEAB CC(C)N1CCOC[C@@]2(CN(Cc3cccs3)CCO2)C1 96049716 QUIWMOYBSDKURI-MRXNPFEDSA-N 310.463 2.060 0 40 DEAB Cn1cncc1CN1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238423 SPIOXEOKDXRUFA-SFHVURJKSA-N 310.401 2.049 0 40 DEAB C[C@@]1(c2ccccc2)CN(C(=O)CCc2ncccn2)CCO1 579301913 RDHHLRWUQWPVFK-SFHVURJKSA-N 311.385 2.183 0 40 DEAB CC(C)n1ccc2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc21 95475068 KKZJFPWACGWXBV-CQSZACIVSA-N 320.414 2.139 0 40 DEAB Cc1cc(COC(=O)[C@H]2CCN(C)C(=O)C2)c2ccccc2n1 96442148 QIIDCVQGJHLULR-ZDUSSCGKSA-N 312.369 2.455 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1[nH]c(C)cc1C)CC2 96472963 XJIZDTOYUHLRDN-KBPBESRZSA-N 306.406 2.024 0 40 DEAB CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccccc1F 96519670 QEJRXTLPEGEJJH-SECBINFHSA-N 301.166 2.425 0 40 DEAB CC[C@H]([C@@H](O)c1ccc(Br)cc1)S(C)(=O)=O 96519455 LBWIDWAIHTXLTK-MNOVXSKESA-N 307.209 2.306 0 40 DEAB COc1ccccc1C[C@H](NC(=O)c1cnn(C)c1)C(C)C 96448343 ISGGDENOSLYLNF-HNNXBMFYSA-N 301.390 2.426 0 40 DEAB C[C@@H]1CN(c2ccccc2NCc2cnnn2C)C[C@@H](C)O1 95448623 RIFGOCKGUJEWQF-CHWSQXEVSA-N 301.394 2.041 0 40 DEAB CC(C)N1CC[C@@H]2OC[C@H](C(=O)Nc3cccnc3)C[C@@H]2C1 96042669 CVSQBSYKTCZVFF-FMKPAKJESA-N 303.406 2.156 0 40 DEAB Cc1ccc(N2C[C@H]3CCN(Cc4ccncc4)C[C@H]3C2)nn1 96081455 MVGPSHIEWDVSQS-SJORKVTESA-N 309.417 2.138 0 40 DEAB Cc1csc(CN2CC[C@H]3OCC[C@@]3(c3nc(C)no3)C2)n1 97953339 YCCCYYYVCIZDSJ-IUODEOHRSA-N 320.418 2.076 0 40 DEAB CN(C)C(=O)[C@H]1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]1O2 96252832 OYYLDENUMDZKJJ-QLFBSQMISA-N 308.809 2.018 0 40 DEAB CCN(CC)C(=O)C1CCN([C@@H]2Cc3ccccc3[C@H]2O)CC1 96493051 LUGGENGHMFXEKS-QZTJIDSGSA-N 316.445 2.225 0 40 DEAB Clc1ccc(OCCc2cc([C@H]3CNCCO3)n[nH]2)cc1 257306344 STXBUBRRGVGLDH-OAHLLOKOSA-N 307.781 2.346 0 40 DEAB O[C@@H]1[C@@H](NCCN2CCCC2)CCC[C@H]1Oc1ccc(F)cc1 585284996 LFBNWTJCYWHJLW-RCCFBDPRSA-N 322.424 2.172 0 40 DEAB CN(Cc1ccc(C(N)=O)cc1)C[C@@H](O)c1ccc(F)cc1F 51314935 GDRUNKXNUXVUMC-MRXNPFEDSA-N 320.339 2.229 0 40 DEAB Cc1ncnc(N2CCN(c3cc(C4CC4)ncn3)CC2)c1C 1776009019 GKKZLRMJOYKTCT-UHFFFAOYSA-N 310.405 2.087 0 40 DEAB Clc1ccc(N2CCN(c3nccn4cnnc34)CC2)cc1 89788217 IRWIYBNCGAPAPB-UHFFFAOYSA-N 314.780 2.104 0 40 DEAB C[C@H](Cn1cncn1)NCc1cc(F)ccc1Br 90171818 OJTJLXQXTPHTNX-SECBINFHSA-N 313.174 2.358 0 40 DEAB NC(=O)C[C@H]1CCCN(CCOc2ccc(F)cc2Cl)C1 91675347 ZWBQPKWCNLLIGI-LLVKDONJSA-N 314.788 2.445 0 40 DEAB O=c1[nH]cccc1NS(=O)(=O)c1ccccc1C(F)(F)F 84501815 YOXLUXSZLYGFTA-UHFFFAOYSA-N 318.276 2.195 0 40 DEAB C[C@H](N[C@@H]1CCCN(C)C1=O)c1ccc(Br)cn1 580399739 QXDHZIPYZRYLLK-JOYOIKCWSA-N 312.211 2.116 0 40 DEAB CC(C)NC(=O)CCCn1nc(-c2ccc(F)cc2)ccc1=O 12440916 BJYJBOPISIZGGC-UHFFFAOYSA-N 317.364 2.354 0 40 DEAB O=C(NCc1cccnc1)c1cc(Br)ccc1O 16494008 GBYMMKJQXMBHEC-UHFFFAOYSA-N 307.147 2.480 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCN(c2nccs2)CC1 23009809 VUWQWYUMYGENLX-UHFFFAOYSA-N 310.810 2.097 0 40 DEAB Cc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1C 428854 STRYYNMVFAOSMQ-UHFFFAOYSA-N 309.325 2.223 0 40 DEAB Cn1nccc1-c1cncc(CNC(=O)Cc2ccc(F)cc2)c1 575615626 GWRDWFSOQNFDDD-UHFFFAOYSA-N 324.359 2.480 0 40 DEAB O=C(O)c1nnn(-c2ccc(F)c(F)c2)c1-c1ccncc1 71327483 HENRJZSWHYZKNK-UHFFFAOYSA-N 302.240 2.306 0 40 DEAB CN(C)CCNC(=O)c1cn(-c2ccccc2)nc1C(C)(C)C 11920966 UMIQGHNWRPPERR-UHFFFAOYSA-N 314.433 2.461 0 40 DEAB Cc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)no1 96425063 MTSODGZGICCVAA-KGLIPLIRSA-N 314.341 2.174 0 40 DEAB COc1cccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 40456773 HUINEPJONKIOQG-UHFFFAOYSA-N 316.357 2.133 0 40 DEAB Cn1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1=O 31792558 QZWLRMXNOFNWFS-ZDUSSCGKSA-N 300.383 2.352 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](CO)c2ccccc2)c1 32201719 JYBJZURZIPFJGM-HNNXBMFYSA-N 305.399 2.315 0 40 DEAB Cc1ccc(NC(=O)c2nnn(Cc3ccccc3)c2N)cc1 21658577 ACNYZTQLBXDKKT-UHFFFAOYSA-N 307.357 2.469 0 40 DEAB CCCS(=O)(=O)NC1CCN(c2nc3ccccc3o2)CC1 32923563 MPDOPKBDZYZORI-UHFFFAOYSA-N 323.418 2.126 0 40 DEAB CCOC(=O)c1sc(SC)c(S(=O)(=O)C(C)C)c1N 126013 RUTILLJYJHVEPU-UHFFFAOYSA-N 323.461 2.411 0 40 DEAB O=C(CN1CCSCC1)N1CCc2[nH]c3ccccc3c2C1 526606 HCAUWAARFSATAK-UHFFFAOYSA-N 315.442 2.101 0 40 DEAB biogenic CC1=C(C(=O)N(C)C)[C@H](c2ccccc2Cl)NC(=S)N1 555236 VLCFYXKWKKTGGJ-LBPRGKRZSA-N 309.822 2.221 0 40 DEAB O=S(=O)(Cc1cccs1)c1ncc(Br)cn1 1584708 DDFKYMKZRGHLAK-UHFFFAOYSA-N 319.205 2.275 0 40 DEAB CC(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 1717864 ZFWXBXCCIHNBGJ-UHFFFAOYSA-N 310.396 2.280 0 40 DEAB O=C(NC[C@@H]1SCCc2ccccc21)c1ccc(=O)[nH]c1 79018622 CESYQDFXUVJABL-AWEZNQCLSA-N 300.383 2.135 0 40 DEAB CCn1nccc1CN1CCN(C(=O)c2ccc(C)cc2)CC1 97235411 MRJGWNKHSDAYLO-UHFFFAOYSA-N 312.417 2.169 0 40 DEAB COc1ccc(S(=O)(=O)c2cnc3ccccc3n2)cc1 3016001 RGXQURWAQNHJPC-UHFFFAOYSA-N 300.339 2.471 0 40 DEAB C[C@@H]1CCCCN1CCNC(=O)CCc1nc2ccccc2[nH]1 47144574 LQJMEJNCMWOHDN-CQSZACIVSA-N 314.433 2.486 0 40 DEAB Cc1ccc(-n2cc(C(=O)NCCCOC(C)C)nn2)cc1 23127082 DONJRDBKTQAAAC-UHFFFAOYSA-N 302.378 2.121 0 40 DEAB N[C@H](CC(=O)O)c1cnc(-c2ccc(Br)cc2)nc1 8731020 UVCMAKVEJDKWKD-LLVKDONJSA-N 322.162 2.381 0 40 DEAB CC(=O)N1CCCn2c(SCc3ccc(F)cc3)nnc21 1016686 HZNMOEKUXYBBHJ-UHFFFAOYSA-N 306.366 2.466 0 40 DEAB COc1ccc(NC(=O)c2ccccc2)cc1NS(C)(=O)=O 12544748 RZBSMPDKXOZMDB-UHFFFAOYSA-N 320.370 2.319 0 40 DEAB COCCNC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC 42843407 BSKIZAVXTBZZQK-CQSZACIVSA-N 308.378 2.197 0 40 DEAB Nc1cc(CCCNC(=O)c2ccoc2)nn1-c1ccccc1 24789387 XPHTZPCOROEQHN-UHFFFAOYSA-N 310.357 2.410 0 40 DEAB NC(=O)NCCCCC(=O)Nc1ccc(OC(F)F)cc1 9576350 ZQMIZAXHSQYUHZ-UHFFFAOYSA-N 301.293 2.065 0 40 DEAB CC(C)(C)c1nc(CS(=O)(=O)c2cccc[n+]2[O-])cs1 47940477 RHDQGAQBXQXBRX-UHFFFAOYSA-N 312.416 2.048 0 40 DEAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCC[C@@H](C)[C@H]1C 106637170 XPORAAVKRUWUQU-CKEIUWERSA-N 320.481 2.479 0 40 DEAB COc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(C)=O)cc1 1691462 SPMMAHJYBADDSE-QGZVFWFLSA-N 312.369 2.381 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ccccc1)C2=O 57884574 WBVAAHUOXIIKBH-PXAZEXFGSA-N 315.373 2.126 0 40 DEAB CCOC(=O)C1=C(C)NC(C(=O)O)=C[C@@H]1c1ccc(C)cc1 104347263 LQCPIIDMEUXQBG-CYBMUJFWSA-N 301.342 2.487 0 40 DEAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)c1 10028839 YVFIKTDAYFOOOB-SNVBAGLBSA-N 304.302 2.176 0 40 DEAB C[C@@H]1CN(C(=O)c2ccccc2N(C)C(=O)C2CC2)C[C@@H](C)O1 44819840 PCGXMBZEMDWTQE-CHWSQXEVSA-N 316.401 2.309 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(C(=O)NC)cc1 58225105 PWIDTWFCNNNGHO-KXKDPZRNSA-N 316.401 2.087 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1OC(F)F 58217407 ZNJWBXIYBRXISY-SECBINFHSA-N 315.320 2.324 0 40 DEAB O=C(O)c1cc(-c2cccc(Cl)c2)nc2nc(O)[nH]c(=O)c12 44978465 PNIUAHVFUFGFIL-UHFFFAOYSA-N 317.688 2.042 0 40 DEAB C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)s1 44914838 KUNKJMPPTMLRSE-QMMMGPOBSA-N 315.826 2.369 0 40 DEAB COc1c(CNC[C@@]2(N(C)C)CCC[C@@H](C)C2)c(C)nn1C 58313358 BDXVLYXAQBVOOV-CXAGYDPISA-N 308.470 2.337 0 40 DEAB CC(C)N(Cc1ccccn1)C(=O)[C@H](C)NC(=O)c1ccoc1 58304664 KKXHTZHSTMLPJI-ZDUSSCGKSA-N 315.373 2.230 0 40 DEAB CCCCOc1ccc(/C=C/C(=O)NCC(=O)O)cc1OC 62715639 VFNHQIJMCMVLEX-SOFGYWHQSA-N 307.346 2.088 0 40 DEAB O=C(Nc1ccc(CNC(=O)[C@@H]2CCCO2)cc1)c1ccco1 11145753 HGARSOOLVYAXOX-AWEZNQCLSA-N 314.341 2.327 0 40 DEAB NC(=O)c1ccsc1NC(=O)COC(=O)CCC1CCCC1 3490904 QMRSRSKSHTYHPR-UHFFFAOYSA-N 324.402 2.299 0 40 DEAB CC[C@@]1(c2ccc(NC(=O)C3CC3)cc2)CCC(=O)NC1=O 13624475 UAAPBSNPYBWQDU-KRWDZBQOSA-N 300.358 2.120 0 40 DEAB COc1ccccc1C(=O)OCC(=O)NCc1ccc(C)cc1 5078928 SCOPSCUMIDSZCR-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CC(C)Cc1cc(C(=O)NCCn2cnc3ccccc32)[nH]n1 65436731 WPRQGGDBYWBGOM-UHFFFAOYSA-N 311.389 2.388 0 40 DEAB CC[C@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)CCO1 65612223 PWZAEJAGKUPYHD-HNNXBMFYSA-N 318.421 2.002 0 40 DEAB CCCCN1C(=O)C(=O)N(CC(=O)c2ccc(C)cc2C)C1=O 4789122 FXTLQBSKILCEON-UHFFFAOYSA-N 316.357 2.077 0 40 DEAB Cc1cccc(Nc2nc(NCCCO)nc3c2cnn3C)c1 9273194 AMACTDFQRLLEBV-UHFFFAOYSA-N 312.377 2.210 0 40 DEAB CCn1cc(CNC(=O)Nc2cc(OC)ccc2OC)cn1 27918786 IOQGDFNARUQUPG-UHFFFAOYSA-N 304.350 2.242 0 40 DEAB Brc1ccccc1-c1nc2c3cn[nH]c3ncn2n1 6829371 VBALGRZMYLXSDT-UHFFFAOYSA-N 315.134 2.430 0 40 DEAB Cc1cnc([C@@H](C)CNC(=O)NC[C@@H]2CCN(C3CC3)C2)s1 96013820 ZQFKXXIMLSPDMH-AAEUAGOBSA-N 322.478 2.339 0 40 DEAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)Nc1ccc(F)cc1F 15366371 SOIUMWKEAHIQAX-SECBINFHSA-N 320.295 2.470 0 40 DEAB CC(=O)NCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1 97082947 SEVPTWZDLRGBOP-UHFFFAOYSA-N 300.305 2.217 0 40 DEAB CCc1nc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)no1 72299890 GRAYBQANDKGINI-LLVKDONJSA-N 303.366 2.272 0 40 DEAB COc1ccc(Br)cc1CSc1n[nH]c(N)n1 7897193 KPUUBPQRQBAQET-UHFFFAOYSA-N 315.196 2.450 0 40 DEAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@H](CCO)C1 72274012 CWEGADSJJHORHT-GFCCVEGCSA-N 316.361 2.363 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)C(N)=O 71799821 WPPSEPAHIYTLQW-XNCJUZBTSA-N 322.167 2.157 0 40 DEAB Cc1cc(C(=O)N2CCc3nnc(N)cc3C2)c(C)n1C1CC1 70016399 OJVBGQFPKOLYLH-UHFFFAOYSA-N 311.389 2.011 0 40 DEAB CC(C)[C@@H](O)CNC(=O)[C@@H](C)n1ccnc1-c1ccccc1 96484719 WKRTVVPHZKADPP-HIFRSBDPSA-N 301.390 2.244 0 40 DEAB CC(C)c1nc2c(n1C)CCN(CCOCC(F)(F)F)C2 69513958 RJOIURXFFSEDEZ-UHFFFAOYSA-N 305.344 2.481 0 40 DEAB O=C(NCCO)Nc1c(-c2cccs2)nc2ccccn12 69664366 SQKRLXHCDQJOFJ-UHFFFAOYSA-N 302.359 2.177 0 40 DEAB CC(=O)Nc1cccc(NC(=O)N[C@H](C)C(=O)NC(C)(C)C)c1 69775749 IXICWBIOBKXRKJ-SNVBAGLBSA-N 320.393 2.070 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)NCCc2cccs2)c1 69709390 WWGZJFCYYBRJOM-KGLIPLIRSA-N 320.462 2.151 0 40 DEAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CCOCC1 71886621 STUPDEHQKJCNDV-ZDUSSCGKSA-N 324.352 2.248 0 40 DEAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CNC(=O)Cc1ccccc1 69970592 MEPUHLGRJHIRJL-JLTOFOAXSA-N 322.408 2.395 0 40 DEAB C[C@@H](C(=O)N[C@@H]1CCCN(c2cccc(F)c2)C1)n1ccnc1 71909375 ZEAVMCCLMZFJGU-DZGCQCFKSA-N 316.380 2.368 0 40 DEAB Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3ccccc3)N2)cc1 9668441 CNWCAJKOPWPTJJ-HNNXBMFYSA-N 322.368 2.290 0 40 DEAB CCn1cc2ccc(NC(=O)c3c(C)nn(C)c3OC)cc2n1 95395652 WHUWCPAPMAQLOC-UHFFFAOYSA-N 313.361 2.359 0 40 DEAB O=C(c1cnn(-c2cccc(Cl)c2)c1)N(CCO)C1CC1 95418966 YSODIPANGBTGJC-UHFFFAOYSA-N 305.765 2.123 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cscc1C)CC2 95407995 YJYMEQQFOGJHQH-KBPBESRZSA-N 309.431 2.449 0 40 DEAB CN1CC[C@H](NC(=O)Cc2ccon2)[C@@H]1c1ccc(F)c(F)c1 95450788 FHSBKJZNUHNHFG-HOCLYGCPSA-N 321.327 2.057 0 40 DEAB Cn1cc(N2CCC[C@@H](N[C@@H]3CC(C)(C)OC3(C)C)C2)cn1 95423286 IZVYZKKSWMLDOH-UKRRQHHQSA-N 306.454 2.325 0 40 DEAB O=C(CCc1ccccn1)N1CCCN(c2ccccn2)CC1 95940498 QCXIUMITBMXDCK-UHFFFAOYSA-N 310.401 2.148 0 40 DEAB Cc1[nH]ncc1C(=O)NC[C@H](O)c1cc2ccccc2s1 89544434 FFMKJHQAXZJCRK-LBPRGKRZSA-N 301.371 2.396 0 40 DEAB Cc1cccc2c(NCCOCCS(C)(=O)=O)ccnc12 89689033 ZHBWUGACZCMZEY-UHFFFAOYSA-N 308.403 2.016 0 40 DEAB O=C(c1nn(-c2ccccc2F)cc1O)N1CCCSCC1 89821307 YBTBXEFUUCRWHK-UHFFFAOYSA-N 321.377 2.296 0 40 DEAB COC[C@H](C)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 22624430 LWJXCVHJXARKKO-NSHDSACASA-N 312.797 2.001 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@@H]1N(C)C 89937194 CMYQYHWHKMSAOI-CABZTGNLSA-N 310.781 2.091 0 40 DEAB COC(=O)c1cc(CNC(=O)NCc2ccco2)ccc1OC 9314600 CJQDAWXAIZGEAA-UHFFFAOYSA-N 318.329 2.074 0 40 DEAB CCc1ccccc1NC(=O)[C@@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409377129 DXWQURQNJYBJRR-VWPFQQQWSA-N 301.342 2.232 0 40 DEAB O=C(C1=CCCC1)N1Cc2cncn2[C@@H](COc2ccccn2)C1 306123818 AXVPWJHEQDHBDM-MRXNPFEDSA-N 324.384 2.351 0 40 DEAB CC(=O)Nc1cccc2c1CCN(C(=O)[C@H](O)c1ccccc1)C2 73010294 ZQTRPRSUHWNQKA-GOSISDBHSA-N 324.380 2.263 0 40 DEAB c1cnc(N2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)nc1 72387275 ZMAPIFZABRHCDH-OAHLLOKOSA-N 324.432 2.326 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2C[C@H](O)Cn2cccn2)c1 75838475 BAMBIHYUISBANT-ROUUACIJSA-N 314.433 2.147 0 40 DEAB CC(C)(NC(=O)CCn1ccccc1=O)c1cccc(F)c1 76449456 OMAVJWCMUCJAGA-UHFFFAOYSA-N 302.349 2.429 0 40 DEAB CC1(C)NC(=O)N(CCSCc2ccc(Cl)nc2)C1=O 78555706 RBTUFOCFXKZGLW-UHFFFAOYSA-N 313.810 2.299 0 40 DEAB Cc1nc([C@H]2CN(C)CCO2)cc(N(C)Cc2ccccc2)n1 72387682 NOHHBDDIONQGHE-QGZVFWFLSA-N 312.417 2.425 0 40 DEAB O=C(CCc1nc(-c2ccccc2Cl)no1)N=c1[nH]cc[nH]1 79488237 ZXDZWOGFSJXAPS-UHFFFAOYSA-N 317.736 2.106 0 40 DEAB CNC(=O)CC1CCN(Cc2cc(C(=O)O)ccc2Cl)CC1 564575562 GCGRAOLNXJTZDR-UHFFFAOYSA-N 324.808 2.386 0 40 DEAB O[C@@H]1C[C@@H](c2nc[nH]n2)C[C@@H]1CNCc1ccc2occc2c1 527570565 UVIQQUZTKYCASU-RRFJBIMHSA-N 312.373 2.195 0 40 DEAB CSC[C@](C)(O)CNC(=O)CSc1ccc(F)cc1 75157251 GJXSVRGYFXLYJI-CYBMUJFWSA-N 303.424 2.148 0 40 DEAB Cn1nc2c(c1CNC(=O)COc1ccc(Cl)cc1)CCC2 225818409 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CCc1cc(C(=O)N2CCN(c3ncc[nH]3)CC2)sc1C 551912656 QCFKKARNRPXGBI-UHFFFAOYSA-N 304.419 2.304 0 40 DEAB NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2)c1 40459382 DZNWXTYWSJHISM-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB CCc1nc(CN(CCS(C)(=O)=O)C(C)(C)C)cs1 95428212 YSFIQFQRDFDDJV-UHFFFAOYSA-N 304.481 2.351 0 40 DEAB Cc1nc(Cl)c(C(N)=O)c(C)c1I 952989744 KRXXOYPKHODORJ-UHFFFAOYSA-N 310.522 2.055 0 40 DEAB c1ccc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)nc1 12780998 VXUVBQPQPMIJNR-OAHLLOKOSA-N 311.385 2.044 0 40 DEAB COc1ccc(CNCC[C@@]2(O)C[C@H](C)N(C)C[C@@H]2C)cc1 13381829 YPTJQGIRFIIISJ-RLFYNMQTSA-N 306.450 2.266 0 40 DEAB CCNC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN1 19696496 QNBVALBRHPLGSO-SFHVURJKSA-N 313.401 2.451 0 40 DEAB CC1CCN(C[C@@H]2CCCN(C(=O)Nc3cnn(C)c3)C2)CC1 103233523 JILIAONTWYFMLL-HNNXBMFYSA-N 319.453 2.396 0 40 DEAB CC(C)(C)OC(=O)NC1CN(c2ncnc3ccsc23)C1 1888899199 FXPPKWHKLZIZLQ-UHFFFAOYSA-N 306.391 2.405 0 40 DEAB Cc1ccc(C)c(CN2CCN([C@H](C)C(=O)NC(C)C)CC2)c1 1888909519 NOWOSARGIJUSCI-QGZVFWFLSA-N 317.477 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GZSLBTKPROCKLS-ZDUSSCGKSA-N 310.300 2.450 0 40 DEAB CCOC(=O)c1ccc(Nc2nc(=O)c(C(C)(C)C)n[nH]2)cc1 8579120 BIXBMLJSGFZZQP-UHFFFAOYSA-N 316.361 2.383 0 40 DEAB CCCCCN1CC2=C(C1=O)[C@@H](c1cccc(F)c1)NC(=O)N2 8755481 YVMBESTVPGDRTL-OAHLLOKOSA-N 317.364 2.466 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1ccc2c(c1)OCO2 8772622 HXFOWMOSNHDCGA-UHFFFAOYSA-N 322.320 2.481 0 40 DEAB Cc1nc(-c2cccs2)sc1C(=O)NCC(=O)NC(C)C 9497898 VIMUZSKDWQLOOE-UHFFFAOYSA-N 323.443 2.434 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)NCc1cn2ccccc2n1 9735872 FTHYTWIVCLKQBW-UHFFFAOYSA-N 324.340 2.062 0 40 DEAB O=C(C[C@H]1C=CCC1)Nc1cccc(S(=O)(=O)NC2CC2)c1 12693480 CGQXNCYIDDKSHY-LBPRGKRZSA-N 320.414 2.422 0 40 DEAB O=CN1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 13672020 SIJVFCJGTACXJO-UHFFFAOYSA-N 312.822 2.123 0 40 DEAB CN(Cc1ccsc1)C(=O)CN1C(=O)c2ccccc2C1=O 13985522 PIDMVAWPZRDHFS-UHFFFAOYSA-N 314.366 2.003 0 40 DEAB COc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1OC 14225079 BZEKDNICPABUGQ-UHFFFAOYSA-N 321.398 2.323 0 40 DEAB COc1ccccc1NC(=O)NCCCOC[C@@H]1CCCO1 17742875 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314.429 2.249 0 40 DEAB COc1ccc2nnc(CCCC(=O)Nc3ccccc3)n2n1 71284322 SVIXGNDPGYAVHS-UHFFFAOYSA-N 311.345 2.094 0 40 DEAB COCCN(C)C(=O)Nc1ccc2c(ccn2CCOC)c1 71803390 JRFDNRFSVOBCBQ-UHFFFAOYSA-N 305.378 2.398 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCOc1ccccc1Cl 71830140 CZSYAVAKTSLBDS-NWDGAFQWSA-N 324.808 2.221 0 40 DEAB C[C@H]1CN(C(=O)c2cn(C)nc2C(F)(F)F)CC(C)(C)O1 71831205 CBTQSYZOSSLUIT-QMMMGPOBSA-N 305.300 2.078 0 40 DEAB CCOc1nnc(CN2CCCC[C@@H]2Cn2cc(C)cn2)s1 71875369 UOAONXZQHXNYAK-CYBMUJFWSA-N 321.450 2.496 0 40 DEAB O=C(Cc1ccc2c(c1)CCC2)N1CCC[C@H](n2cncn2)C1 72234729 GFYMGFLJYIOCAN-KRWDZBQOSA-N 310.401 2.173 0 40 DEAB COc1cccc(-c2[nH]ncc2C(=O)NCc2cccnc2)c1 72329247 CWDYOTXWIPFTIF-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB Oc1nc(-c2cccnc2)nc2c1CN(Cc1ccco1)CC2 72339839 IHGJAZZHKAYXBN-UHFFFAOYSA-N 308.341 2.396 0 40 DEAB COc1ccccc1[C@@H](NC(=O)c1cccnc1)c1noc(C)n1 72696297 PFWGQOBPHZNWMZ-OAHLLOKOSA-N 324.340 2.301 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)NC[C@@H]2CC=CCC2)c1 76020011 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KOAQLBUXUJQMCQ-CQSZACIVSA-N 303.337 2.076 0 40 DEAB C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccsc1 7927056 VPHGOLZXLOMLDM-NSHDSACASA-N 317.414 2.306 0 40 DEAB O=C(NN1C(=O)c2ccccc2C1=O)[C@@H]1CCCc2ccccc21 70005653 YKYXHQWEKKTAOT-CQSZACIVSA-N 320.348 2.434 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)c1sccc1Br 70162813 ZPVVJQLSJKNBRD-ZETCQYMHSA-N 304.165 2.200 0 40 DEAB Cc1ncc2c(n1)CN(Cc1nc(Cc3ccccc3)no1)CC2 69454179 DFTKEPVCQBGPCS-UHFFFAOYSA-N 321.384 2.317 0 40 DEAB CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@@H](C)c1cccnc1 96440886 SNRGRKDYJXXGGW-OLZOCXBDSA-N 306.410 2.087 0 40 DEAB NC(=O)C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 69584911 SLWKBEMRPIXAGH-INIZCTEOSA-N 300.402 2.436 0 40 DEAB Cc1cc(C(=O)N(C)CCn2cccn2)nn1-c1ccccc1 69698441 YOVXUBVGVKMSHA-UHFFFAOYSA-N 309.373 2.149 0 40 DEAB Cc1cc([C@@](C)(O)CNC(=O)/C=C/c2cccnc2)c(C)o1 84081564 NHYWRFDTUGQTJB-LXXRFIIISA-N 300.358 2.329 0 40 DEAB CC(C)OCCC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Cl 97086642 OXZWMXXMRNUTNL-HNNXBMFYSA-N 324.808 2.155 0 40 DEAB Cc1[nH]cc(C(=O)N2CC[C@@H](C)[C@H]2C)c(=O)c1Br 97080770 QBBANHIZFOIFCJ-VXNVDRBHSA-N 313.195 2.316 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 72297005 NFEWZKMQFJZZBQ-KWQFWETISA-N 301.325 2.273 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc3c(s1)CCC3)C2 72278878 OROKTCYJQCSPCW-GFCCVEGCSA-N 301.415 2.487 0 40 DEAB CCNC(=O)C(C)(C)CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F 84789451 UBMMZNQWMVAOMR-RYUDHWBXSA-N 324.371 2.347 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)[nH]c(=O)n2C 84718116 YFVSVHPZSJBKGH-LLVKDONJSA-N 307.353 2.458 0 40 DEAB CCCCN(C)C(=O)CSc1c(C)c(C)nc2ncnn12 97142320 HYMPTYWPVNHAFY-UHFFFAOYSA-N 307.423 2.092 0 40 DEAB C[C@@H](NS(=O)(=O)c1c(F)cccc1Cl)[C@H]1CCOC1 97147074 MYIILYYLMICRGD-BDAKNGLRSA-N 307.774 2.182 0 40 DEAB CC(=O)CCCCCCC(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 95449997 UZUVHUPTPNRZEA-LSDHHAIUSA-N 308.422 2.186 0 40 DEAB CC(C)[C@H](C)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 98097717 NMLVNSNOQCKODU-GXTWGEPZSA-N 308.447 2.442 0 40 DEAB O=C(NCCNC(=O)N1CCC[C@@H]1C1CCC1)C1CCCC1 95947412 UIBOCDHIIOHVOA-OAHLLOKOSA-N 307.438 2.267 0 40 DEAB Cc1nc(CNC(=O)Nc2ccnn2-c2ccccc2C)no1 95984910 GQGHHDMUKYDOOS-UHFFFAOYSA-N 312.333 2.194 0 40 DEAB COc1ccccc1N1CCC[C@H](N[C@@H]2CCSC2)C1=O 95968166 QWZJWVIAXGSTMV-OLZOCXBDSA-N 306.431 2.286 0 40 DEAB CCCCN(C(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 89954695 YCFLEENUDNKXEY-AWEZNQCLSA-N 316.467 2.318 0 40 DEAB O=C(CCc1nc(-c2cccnc2)no1)NCCc1ccccc1 64799475 IJHZDXRVVXXPRN-UHFFFAOYSA-N 322.368 2.423 0 40 DEAB COCCc1ncc(CN(C)[C@H](C)Cc2ccccn2)cn1 36740660 ZNZKFRRLDSUYDJ-CQSZACIVSA-N 300.406 2.124 0 40 DEAB NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408702836 OXTQRMCAGMEFIB-UHFFFAOYSA-N 316.810 2.004 0 40 DEAB Cc1cc(CN2CCN(CCOc3ccccc3)CC2)no1 61781912 KBNCEJWWJWZYQV-UHFFFAOYSA-N 301.390 2.180 0 40 DEAB COc1cc(Cl)ccc1CNC(=O)NCC1CCNCC1 566727653 SKAXATJYQXBFPE-UHFFFAOYSA-N 311.813 2.147 0 40 DEAB O=C1NCCN[C@H]1Cc1ccc(-c2cccc(F)c2F)cc1 72352892 LTHOLFJSNJQWCH-HNNXBMFYSA-N 302.324 2.262 0 40 DEAB CC(C)Oc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 42645679 DMKQQOGLKDKVKK-OAHLLOKOSA-N 318.417 2.347 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H](C)c1c(C)n[nH]c1C 195560057 LVZGKXIDNDXGEQ-GDLCADMTSA-N 321.421 2.368 0 40 DEAB Cc1ccsc1S(=O)(=O)NCc1cccc(C(=O)O)c1 575233747 KBGNGCYFTVHECB-UHFFFAOYSA-N 311.384 2.233 0 40 DEAB Cc1cc(NC(=O)c2ccc[n+]([O-])c2)ncc1Br 46085497 JLEPCISCJBNVFU-UHFFFAOYSA-N 308.135 2.038 0 40 DEAB COCCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C 222732302 FDVNDPDXABYOQX-HUUCEWRRSA-N 316.430 2.132 0 40 DEAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc2[nH]nnc2c1 47189372 HLULUXCQDYZGAY-XHDPSFHLSA-N 302.378 2.283 0 40 DEAB COc1cc(S(=O)(=O)N(C)c2nccs2)ccc1F 190990480 MXXYCDQFMBNRHY-UHFFFAOYSA-N 302.352 2.116 0 40 DEAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(N)s1)C2 40488431 VCCMUAKEMXLWLW-SNVBAGLBSA-N 323.399 2.037 0 40 DEAB CCn1cc(NC(=O)[C@]2(C)Sc3ccccc3NC2=O)cn1 40774245 WFFCSOXTIMZWSN-HNNXBMFYSA-N 316.386 2.345 0 40 DEAB COc1cccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1OC 46882616 IVLABNYEXCOFJT-ZIAGYGMSSA-N 320.433 2.412 0 40 DEAB CC(=O)Nc1cccc2c1ccn2CC(=O)NCc1cccnc1 96117095 BGXFLSLJCFPDPC-UHFFFAOYSA-N 322.368 2.311 0 40 DEAB C[C@@H](CNS(=O)(=O)Cc1ccon1)c1nc2ccccc2o1 96446680 BKNWYRVIMIMNKA-JTQLQIEISA-N 321.358 2.039 0 40 DEAB O=c1c2cc(Br)cc(F)c2ncn1Cc1ccon1 96461780 OLIPXKVCUSDWMA-UHFFFAOYSA-N 324.109 2.334 0 40 DEAB CC(C)[C@@H](CO)NCc1nc(-c2cc(F)c(F)c(F)c2)no1 97094674 BFRIKSNEYPZHGC-LLVKDONJSA-N 315.295 2.260 0 40 DEAB CC(C)Cc1nnc([C@@H](C)Nc2cccc(NC(=O)CO)c2)o1 96437068 JNVIJRWDJGOHBH-LLVKDONJSA-N 318.377 2.372 0 40 DEAB COc1ccc(CN2CCCC[C@@H]2C(N)=O)c(OC(C)C)c1 96489463 LNGDRPYPTAHZDR-OAHLLOKOSA-N 306.406 2.322 0 40 DEAB C1CC1CN1CC[C@H]2[C@H](Cc3nnc(C4CC4)o3)OC[C@H]2C1 96207549 SIHDSFUYMGRMDN-KFWWJZLASA-N 303.406 2.236 0 40 DEAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCS(C)(=O)=O)cc1 96418253 IWKSYDRHSQXXFO-LSDHHAIUSA-N 309.431 2.074 0 40 DEAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CC1 253369678 GQPXKUKQIFAQAX-LKTVYLICSA-N 313.394 2.374 0 40 DEAB Cc1nccnc1CC[C@H]1COCCN1Cc1cscn1 257339305 ZBEKDVBZGIUQDS-AWEZNQCLSA-N 304.419 2.075 0 40 DEAB CS(=O)(=O)N1CC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257315892 VDEITAHUULDXDJ-GFCCVEGCSA-N 324.377 2.153 0 40 DEAB COc1ccc(Cl)cc1S(=O)(=O)NCCCOC(C)C 264218554 VMGDNNKDUAZQLS-UHFFFAOYSA-N 321.826 2.442 0 40 DEAB c1cnc(O[C@@H]2CN(Cc3cccnc3)Cc3cccn3C2)nc1 585112513 QMARTCMVGBXSRG-QGZVFWFLSA-N 321.384 2.137 0 40 DEAB CCc1nnc2n1C[C@H](NC(=O)Cc1ccc3c(c1)CCC3)CC2 65457907 PICJOFFEMWVCSE-MRXNPFEDSA-N 324.428 2.003 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2COc3ccccc3C2)cn1 69708337 SPUQRVBRKHNLBE-GOEBONIOSA-N 311.385 2.335 0 40 DEAB Fc1ccc(-c2cnc(CN[C@H]3CCc4ncnn4C3)o2)cc1 69876129 KACFOIUDCGELOT-ZDUSSCGKSA-N 313.336 2.177 0 40 DEAB Nc1ccc(C[C@H]2CCCN(C(=O)C3CCCCC3)C2)nn1 72387370 YXHAFKQNYNXLCK-CYBMUJFWSA-N 302.422 2.420 0 40 DEAB CCCCS(=O)(=O)NC1CCN(C(=O)c2ccccc2)CC1 75057843 PIQYYOYUSHTKBV-UHFFFAOYSA-N 324.446 2.011 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2Cc2nnnn2C2CC2)c1 75838491 WENFACMRFYUMCI-INIZCTEOSA-N 312.421 2.411 0 40 DEAB O=C(NCc1csc(=O)[nH]1)c1cnc(-c2ccco2)s1 89507922 HHJKJQOVVKACEC-UHFFFAOYSA-N 307.356 2.083 0 40 DEAB Nc1nc2nonc2nc1Nc1cccc(Br)c1 5740748 COEWOLOZLIZPIJ-UHFFFAOYSA-N 307.111 2.101 0 40 DEAB CC(C)C(=O)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 12220018 LEGDXRYJFXDSFT-SNVBAGLBSA-N 323.347 2.424 0 40 DEAB NNc1nc2ccccc2c(=O)n1-c1cnc2ccccc2c1 15424553 XKBDYKPNERJLDE-UHFFFAOYSA-N 303.325 2.220 0 40 DEAB O=C(NCc1ccc(Cl)cc1)N1CCC(n2ccnn2)CC1 206939875 MPHFESQVGDLDHR-UHFFFAOYSA-N 319.796 2.478 0 40 DEAB C[C@H](Sc1nccn1C)C(=O)Nc1ccc2c(c1)OCCO2 5359095 YFARSGQJGCGFCP-JTQLQIEISA-N 319.386 2.311 0 40 DEAB Cc1cc(N2CCC(CNC(=O)c3cnoc3C)CC2)ccn1 253408545 YCHFCGITGUMGER-UHFFFAOYSA-N 314.389 2.333 0 40 DEAB O=S1(=O)N=C(N2CC[C@H](c3ccccn3)C2)c2ccccc21 1888850010 LDLXGAKLOWELLO-LBPRGKRZSA-N 313.382 2.020 0 40 DEAB Cn1cnc(C(=O)N2CCC[C@]3(CCCN(CC4CC4)C3)C2)c1 2056224156 KQJPCGUYNDXNKB-SFHVURJKSA-N 316.449 2.148 0 40 DEAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H](C(=O)O)C2)s1 383334230 TYYUVGWTSYUSGK-MNOVXSKESA-N 317.432 2.287 0 40 DEAB CN(C)[C@H]1CCOC2(CCN(C(=O)C3CC(F)(F)C3)CC2)C1 1565545363 GHYOHODGVTWFOO-ZDUSSCGKSA-N 316.392 2.134 0 40 DEAB COc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)c(OC)c1 10328353 HOHVLAFFWKVKMB-CQSZACIVSA-N 318.373 2.330 0 40 DEAB Cc1cccnc1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 30557203 MWNZNFNHQZROFH-UHFFFAOYSA-N 313.357 2.474 0 40 DEAB COCC(=O)Nc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1 32922993 FTFJUGAEVBGJPZ-CHWSQXEVSA-N 304.390 2.390 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)Cn1nnc2ccccc21 32931331 REZPXEKUGNQNDZ-UHFFFAOYSA-N 324.384 2.243 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCCCC1 541562 JIWHBPSEFPXHPL-HNNXBMFYSA-N 304.390 2.403 0 40 DEAB COC(=O)[C@H](C)NC(=O)Nc1cccc(Br)c1 535026 FTKUFMRJUNNKFX-ZETCQYMHSA-N 301.140 2.132 0 40 DEAB biogenic COc1ccc(OC)c(CCNC(=O)CC[C@H]2CCCO2)c1 53348314 HWPCDTMZYRSDMF-CQSZACIVSA-N 307.390 2.322 0 40 DEAB O=C1CC[C@@H](C(=O)Nc2ccc(F)c(-n3cccc3)c2)CN1 78796482 PYAZYGBTDDTYKW-LLVKDONJSA-N 301.321 2.081 0 40 DEAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCC(=O)N(C)C)C1 78951858 LVGHUHFQOMZARN-DOMZBBRYSA-N 321.396 2.397 0 40 DEAB CN1N=C(C(=O)N2CCC[C@H]2c2ccc(F)cc2)CCC1=O 42027395 YNWUQMRBVMGLFI-AWEZNQCLSA-N 303.337 2.097 0 40 DEAB CCN([C@@H](C)COC)S(=O)(=O)Cc1noc2ccccc12 97137304 BFFKXKGFCKYLDT-NSHDSACASA-N 312.391 2.014 0 40 DEAB O=C(Nc1nc[nH]n1)c1ccc(COCC(F)(F)F)cc1 23141245 FEHXQTOGGNZWAI-UHFFFAOYSA-N 300.240 2.136 0 40 DEAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 101451861 NTLXWSUYSXYVKK-YFKTTZPYSA-N 313.712 2.296 0 40 DEAB O=C(NCCc1ccc2c(c1)OCO2)c1n[nH]c2ccccc12 12532046 VUVNSEMUTINJSD-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB Nc1nnc(SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)s1 8066729 TVBOXIJYYORFPX-NXEZZACHSA-N 312.464 2.251 0 40 DEAB O=C(OCc1ccccn1)C1=NN(c2ccccc2)C(=O)CC1 8343856 VFESTLRISBBDMU-UHFFFAOYSA-N 309.325 2.308 0 40 DEAB CCN(Cc1ccccc1)C(=O)c1ccnc(-n2cncn2)c1 54673173 GUHKDIMZDYTEAB-UHFFFAOYSA-N 307.357 2.325 0 40 DEAB C[C@H]1C[C@H]1C(=O)N[C@H](CNC(=O)[C@H]1C[C@H]1C)Cc1ccccc1 106152115 SRQSLXTZZLFWOD-NOYHWAJDSA-N 314.429 2.142 0 40 DEAB CCCc1c(C(=O)OCC)cnc2nc(-c3ccncc3)nn12 9926691 REQJCAQEXDXECG-UHFFFAOYSA-N 311.345 2.316 0 40 DEAB COc1ccc(OC)c(CNc2c(C)c(C)nc3ncnn23)c1 20343063 QMWFOHHYTWCSMU-UHFFFAOYSA-N 313.361 2.370 0 40 DEAB C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)CN1CCCC1 47920294 LBCLRYDSBLRYHG-CQSZACIVSA-N 314.433 2.344 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1 58266968 LECNWTJHIBFTFR-LBPRGKRZSA-N 309.337 2.250 0 40 DEAB CCOc1ccc(NC(=O)CNC(=O)[C@@H]2CC=CCC2)cc1 58278133 DNIGIQIRSAUHQL-CYBMUJFWSA-N 302.374 2.496 0 40 DEAB CC1CCN(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 109015612 XKAUGPYAVXYYIB-QPSCCSFWSA-N 300.468 2.377 0 40 DEAB CC[C@H](C)NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cncn1)(C3)C2 102846273 GCWRYXUNDCRBDV-GESPQZGRSA-N 302.422 2.488 0 40 DEAB CCCC(=O)Nc1cccc(CN2C(=O)[C@@H](C)NC2=S)c1 55179051 KDWYODRDBUOICV-SNVBAGLBSA-N 305.403 2.030 0 40 DEAB CC(=O)Nc1ccc(CC(=O)N(C)C2CCC(CO)CC2)cc1 84774064 SVWLNMVDMYTCSR-UHFFFAOYSA-N 318.417 2.197 0 40 DEAB NC(=O)[C@@H]1CCCCN1Cc1csc(Br)c1 44975146 KQABFEIMJFIRRL-VIFPVBQESA-N 303.225 2.350 0 40 DEAB C[C@H](C(=O)Nc1nccs1)n1cc(Br)cn1 28224440 YWJAYXGDUREXHN-ZCFIWIBFSA-N 301.169 2.302 0 40 DEAB COc1ccccc1S(=O)(=O)N(C[C@@H](C)O)c1ccccc1 58432062 ZJXIFEJIRQCHAO-CYBMUJFWSA-N 321.398 2.271 0 40 DEAB Cc1cc(C(=O)NCCCOC(C)C)c2c(C)nn(C)c2n1 28662938 LBEPRALITXKEQZ-UHFFFAOYSA-N 304.394 2.130 0 40 DEAB COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H]1O5 59206758 FQXXSQDCDRQNQE-ZNOIYHFQSA-N 311.381 2.425 0 40 DEAB endogenous,in-man C[C@H](CN1CCOCC1)NC(=O)Nc1cccc2cccnc12 45976582 RDTFYLLTEUMOHC-CYBMUJFWSA-N 314.389 2.077 0 40 DEAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)NCC1CC1 46116474 KVGJBIMQVDHDSN-UHFFFAOYSA-N 317.410 2.281 0 40 DEAB Cc1cc(C)cc(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 3401671 NTKAIJMERPHDEU-UHFFFAOYSA-N 318.373 2.229 0 40 DEAB Cc1ccc(-c2nnc3s/c(=C\c4ccco4)c(=O)n23)cc1 4183962 KBYMKOQKEKGKLB-LCYFTJDESA-N 309.350 2.267 0 40 DEAB CNc1cc(N2CCC[C@@H]2CN[C@@H](C)c2cccnc2)ncn1 95351539 ZTJFVDHKBCYVFM-DZGCQCFKSA-N 312.421 2.233 0 40 DEAB 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O=CNc1ccc(C(=O)NC[C@@H](O)c2ccccc2Cl)cc1 89813263 IMHZLKJZVICIHE-OAHLLOKOSA-N 318.760 2.372 0 40 DEAB CC(C)(C)c1ccc(OC[C@@H](O)CN2CCCNCC2)cc1 64875912 AVCGXVICUKRUMA-INIZCTEOSA-N 306.450 2.019 0 40 DEAB O=C(NCc1ccco1)c1c(O)n2c3c(cccc3c1=O)CCC2 2575761 NCSBIJQRZUPDKJ-UHFFFAOYSA-N 324.336 2.176 0 40 DEAB biogenic CC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408595689 RBUFUSYGFYBCQY-ZDUSSCGKSA-N 324.446 2.308 0 40 DEAB COc1ccccc1OC(=O)c1ccc(CNC(N)=O)cc1 42629372 OWVFIHQLAVKHGG-UHFFFAOYSA-N 300.314 2.083 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1N(CC(=O)O)C1CC1 79392427 BYDMOHSMHATXHQ-OLZOCXBDSA-N 312.410 2.371 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)CCCC(=O)O 37834957 WGYUJICBLSATCZ-UHFFFAOYSA-N 304.140 2.255 0 40 DEAB O=C(Cc1csc(-c2ccncc2)n1)NC[C@H]1CCCO1 31868120 PBYMQISGKINCHA-CYBMUJFWSA-N 303.387 2.043 0 40 DEAB COc1cc(C(=O)OCCCn2ccccc2=O)ccc1C 78442898 MBXPZDSAGRZEFK-UHFFFAOYSA-N 301.342 2.412 0 40 DEAB Cc1cccnc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1 41096145 DMCALMGYCSIEGS-UHFFFAOYSA-N 316.338 2.297 0 40 DEAB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1COCCO1 194609371 ZEVYIHNYNKUQRO-CJNGLKHVSA-N 321.417 2.283 0 40 DEAB C[C@@H](c1ccccc1)N1Cc2nc(N3CCOCC3)ncc2C1=O 46087981 BPKKIDZVPQISFJ-ZDUSSCGKSA-N 324.384 2.030 0 40 DEAB O=C(NCc1ncoc1-c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1NC2 570271612 CWMXAZCCDQYZOG-BPLDGKMQSA-N 311.385 2.346 0 40 DEAB COc1ccccc1O[C@@H](C)CNC(=O)[C@H](C)n1ccnc1 81098905 QBZAEHACKFRWAP-STQMWFEESA-N 303.362 2.036 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@H]1CCCCC[C@@H]1C(=O)OC 88269803 UCWJABLHLLZMIZ-STQMWFEESA-N 307.394 2.063 0 40 DEAB COc1ccc([C@@H]2CCCCCN2C[C@](C)(O)C(=O)O)cc1 572168931 QUXYPRKJARSNFV-RDJZCZTQSA-N 307.390 2.448 0 40 DEAB O=S1(=O)CCc2[nH]c3c(Br)cccc3c2C1 83728952 FAYIDHATRGBCGN-UHFFFAOYSA-N 300.177 2.401 0 40 DEAB Cc1ccc(-c2ccc(C(=O)N3CCO[C@H](CO)C3)s2)o1 195557790 YIMVYIVTSIRJKN-NSHDSACASA-N 307.371 2.150 0 40 DEAB Cc1noc(C)c1CN1C[C@@]2(CCN(CC3CC3)C2)CC1=O 96050958 CKRPMCWRJYMXJF-KRWDZBQOSA-N 303.406 2.126 0 40 DEAB CCOCC(=O)N1CC[C@@H](OC)[C@@H](Cc2cccc(C)c2)C1 96110218 YRWMFHCVSZSYTO-DLBZAZTESA-N 305.418 2.438 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)cc1Cl 95433207 MLLJUXAUSZOEAH-NEPJUHHUSA-N 317.838 2.478 0 40 DEAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3CC2CCOCC2)n1 96184762 DZZWTRHPYZMMOQ-MOPGFXCFSA-N 315.461 2.465 0 40 DEAB Cc1cc(NC[C@H]2CC23CCOCC3)nc(-c2cccnc2)n1 579307750 UCANDTYXTVUMEA-OAHLLOKOSA-N 310.401 3.076 0 40 DEAB CCC(=O)N[C@@H]1CCCN(c2nnc(C(F)(F)F)s2)C1 97099127 YOICVRMWQRNPHS-SSDOTTSWSA-N 308.329 2.052 0 40 DEAB CC(C)CN1CCC[C@H]1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O 96491738 NSXURNQRVXPMTG-JYJNAYRXSA-N 316.511 2.052 0 40 DEAB Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)CC(F)F 96502163 KWFBOIQASGTCKH-UHFFFAOYSA-N 309.382 2.042 0 40 DEAB CC(=O)N1CCC2(CC1)CO[C@H](COCc1cccc(C)n1)C2 96106158 FNVPXDUHXZADPY-KRWDZBQOSA-N 318.417 2.324 0 40 DEAB Cn1cc(CCC(=O)NC[C@H]2SCCc3ccccc32)cn1 96454674 WPQRIUXYJSCACL-MRXNPFEDSA-N 315.442 2.500 0 40 DEAB CC[C@H](C)c1noc([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1 253388906 UVHJHLWEYUZYKS-RWMBFGLXSA-N 307.394 2.468 0 40 DEAB Cc1ccc(CN2CCO[C@@H](CCc3cc(O)ncn3)C2)s1 257209675 BRKWWRBWBKTDAQ-AWEZNQCLSA-N 319.430 2.386 0 40 DEAB Cc1cccc2nc(C(=O)N3CCO[C@@H](c4ccncc4)C3)cn12 257316303 VEZJYDJPXZKVOT-MRXNPFEDSA-N 322.368 2.251 0 40 DEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257268828 MNJRDTKYWNIRSF-RDJZCZTQSA-N 318.348 2.063 0 40 DEAB O=C(c1cc(-c2ccccc2)on1)N1CCc2ncncc2C1 96122739 VMFPRSONFZVDPC-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB Cc1ncoc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585269428 TYLMZRKZNYCAFE-GJZGRUSLSA-N 318.348 2.330 0 40 DEAB Cc1cc(OCC2CCN(c3ccc4nncn4n3)CC2)ccn1 1775995067 YELYUWPXFLVIJI-UHFFFAOYSA-N 324.388 2.123 0 40 DEAB CO[C@@H](CNC(=O)c1ccc(C)[nH]c1=O)c1cccc(Cl)c1 78934513 XVFQWVWYJXLANZ-AWEZNQCLSA-N 320.776 2.454 0 40 DEAB CNC(=O)CN1CCC(N[C@H]2CC(C)(C)Cc3occc32)CC1 95967276 FJFNYCWJFSNYSY-HNNXBMFYSA-N 319.449 2.093 0 40 DEAB COC[C](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1 1560408696 VDDHXSUOPXRGMC-UHFFFAOYSA-N 307.370 2.006 0 40 DEAB CC(C)NC(=S)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 19014953 KWXIKAWFDRNNPI-UHFFFAOYSA-N 318.446 2.249 0 40 DEAB c1ccc2c(c1)OCCN2Cc1cnc(N2CCOCC2)s1 154755642 KEWOTCANLVBYSL-UHFFFAOYSA-N 317.414 2.379 0 40 DEAB Cc1ccc(OCCOC(=O)CNC(=O)c2ccccc2)cc1 3508367 ROFWUYYTHMBPHZ-UHFFFAOYSA-N 313.353 2.347 0 40 DEAB O=C(COC(=O)c1ccc2ncsc2c1)NCc1ccco1 3572897 MTJNWPWXVPUFDJ-UHFFFAOYSA-N 316.338 2.363 0 40 DEAB CN1CC[C@H](N2CCC(COc3ccncc3Cl)CC2)C1=O 1848575645 RKKJCYHMPLNQCX-AWEZNQCLSA-N 323.824 2.057 0 40 DEAB CC1CCC(C(=O)N2CCc3ncnc(N(C)C)c3CC2)CC1 1565551053 IRVPCJHASSISPW-UHFFFAOYSA-N 316.449 2.296 0 40 DEAB O=C(Nc1ccccn1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4272675 GVJSMBIQEVYGOD-LBPRGKRZSA-N 314.320 2.148 0 40 DEAB CCOc1ccccc1NC(=O)C(=O)NCCc1ccsc1 13724454 MRWCJFRFEFNSDE-UHFFFAOYSA-N 318.398 2.444 0 40 DEAB Cc1ccccc1CN1CCC[C@@H](N(C)S(=O)(=O)C2CC2)C1 2086889584 XBKWDJCCNIQLEB-MRXNPFEDSA-N 322.474 2.383 0 40 DEAB CC[C@H]1CCCN(CCC(=O)Nc2sccc2C(N)=O)C1 30144472 XPAGVCVWRMWMPP-NSHDSACASA-N 309.435 2.298 0 40 DEAB CCc1nn2c(=O)cc(CNc3ccccc3F)nc2s1 30287519 LYCARBCPDLLZHY-UHFFFAOYSA-N 304.350 2.465 0 40 DEAB O=C1Nc2ccccc2[C@H]1CC(=O)N1CCC[C@H](n2cccn2)C1 100692248 OLKDNSHIBVZEPR-DZGCQCFKSA-N 324.384 2.173 0 40 DEAB O=c1c2c([nH]c3nc(NCc4ccc(Cl)cc4)nn13)CCC2 100641654 NEPRQKDRCUUQAE-UHFFFAOYSA-N 315.764 2.172 0 40 DEAB CCOC(=O)N1CCC(NC(=O)c2scnc2Cl)CC1 40554203 XYGMUZKWVXGAPG-UHFFFAOYSA-N 317.798 2.147 0 40 DEAB O=C1CN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CCN1 40540127 OYTNKJPSRPSGFJ-UHFFFAOYSA-N 312.156 2.047 0 40 DEAB CCOc1ncccc1NC(=O)[C@@H]1COc2ccccc2O1 40513577 ZDBPJQIYPRLWLB-AWEZNQCLSA-N 300.314 2.259 0 40 DEAB CCC(=O)N1C(=O)NC(C)=C(C(=O)OC)[C@@H]1c1ccccc1 197465 TUEKTYXTFDLNCF-AWEZNQCLSA-N 302.330 2.137 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1OC)C(=O)O 543784 PAUYLFWERLEVTJ-RNCFNFMXSA-N 310.350 2.325 0 40 DEAB biogenic O=C(NCc1cccc(C(=O)N2CCCCC2)c1)N1CCC1 47086818 ASSUMZQXRFLVMF-UHFFFAOYSA-N 301.390 2.228 0 40 DEAB O=C(N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)O)c1ccoc1 97231193 LQQXZAFGECIVRF-CQSZACIVSA-N 316.288 2.326 0 40 DEAB Cc1ccc(/C=c2/sc3nc(-c4ccco4)nn3c2=O)cc1 33614570 IMHAATYSSGILPR-UKTHLTGXSA-N 309.350 2.267 0 40 DEAB CC1=NO[C@H](c2ccccc2Cl)[C@H]1C(=O)N1CCOCC1 4942472 PDRXQUVRGPKWEP-UONOGXRCSA-N 308.765 2.262 0 40 DEAB CCC(C)(C)NC(=O)[C@H]1CCCN(c2nc(C)cc(OC)n2)C1 4967451 DQJVEYIUBIQCSR-ZDUSSCGKSA-N 320.437 2.315 0 40 DEAB Cc1cc(N2CCCN(Cc3ccccc3C)CC2)nc(N)n1 42104208 VJJALBSXYALKEA-UHFFFAOYSA-N 311.433 2.388 0 40 DEAB O=C(Nc1ccccc1O)c1ccc(Cl)cc1-n1cnnn1 12389671 GNKBRDPZPZROLW-UHFFFAOYSA-N 315.720 2.274 0 40 DEAB C[C@H]1Sc2ccc(C(=O)Nc3ncccc3O)cc2NC1=O 23078227 MPWPAZYTXLSBGG-MRVPVSSYSA-N 315.354 2.472 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC2(CC(N(C)C)C2)C1 108525615 ATXHEFUBKBJPOF-UHFFFAOYSA-N 308.447 2.100 0 40 DEAB Cc1noc(COC(=O)c2cc(Cl)c3c(c2)OCCO3)n1 23382746 LIVKSZCHBGQIHJ-UHFFFAOYSA-N 310.693 2.160 0 40 DEAB O=C(NCCCNc1ncccn1)c1ccc(OC(F)F)cc1 42757079 JHFXOBRGAXSXRH-UHFFFAOYSA-N 322.315 2.310 0 40 DEAB CNC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 47653547 YYKNUGWCMSMQDG-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(Cl)ccc1F 43503755 AFCUXUVMVODJBK-LBPRGKRZSA-N 303.742 2.169 0 40 DEAB Cc1cnn(CC(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 55946817 VIHQHCXUTWJTMS-NVXWUHKLSA-N 317.364 2.367 0 40 DEAB O=C(O)CCn1ccn2nc(-c3cccc(Cl)c3)cc2c1=O 57352147 RTXFRCXZYLRCQF-UHFFFAOYSA-N 317.732 2.291 0 40 DEAB Cc1ccnc(N2CCN(c3cc(NCC4CC4)ncn3)CC2)c1 119559053 YZCXUCWWHLQSED-UHFFFAOYSA-N 324.432 2.329 0 40 DEAB CCOC(=O)NC(=O)CNc1cc(C)c(Cl)cc1OC 10026044 DSIPHZQBRFHZBI-UHFFFAOYSA-N 300.742 2.342 0 40 DEAB NC(=O)C1(CNC(=O)CCCC2CCCCC2)CCOCC1 47930813 DHAUHDXCFHBFCI-UHFFFAOYSA-N 310.438 2.135 0 40 DEAB COCCOc1ccc(NC(=O)NCc2nc(C)cs2)cn1 58139905 BYTFHBSFPPHUEZ-UHFFFAOYSA-N 322.390 2.193 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@@H](C)Cn1cccn1 44969669 PIQRBNIRLURCGB-RYUDHWBXSA-N 320.368 2.480 0 40 DEAB CCCCN(CC)C(=O)c1cc(F)ccc1NS(C)(=O)=O 58393764 MSJQAGGMMOICQZ-UHFFFAOYSA-N 316.398 2.459 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCc1ccccc1-n1ccnc1)CN2 58333154 PRJBIRNXGKPWOH-HNNXBMFYSA-N 322.416 2.209 0 40 DEAB COC(=O)CCNC(=O)COc1cc(Cl)ccc1Cl 12697344 CLQHORPLWLWXSK-UHFFFAOYSA-N 306.145 2.052 0 40 DEAB CC(=O)c1cc(NC(=O)CCc2nc3ncccc3[nH]2)ccc1O 72403831 MNAAEARJDXTGJS-UHFFFAOYSA-N 324.340 2.437 0 40 DEAB Cc1cc(NC(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)on1 29658382 OBSCFEZXHUVMHI-CQSZACIVSA-N 319.336 2.134 0 40 DEAB O=C(NCC(F)(F)F)c1ccc(CSc2ncn[nH]2)cc1 29816318 FMRLDAMLGCFFRJ-UHFFFAOYSA-N 316.308 2.389 0 40 DEAB O=C(O)c1ccc(N[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 2662423 UADTTZUIDNGYDV-HNNXBMFYSA-N 324.336 2.124 0 40 DEAB O=C1CN(C(=O)COc2cccc(F)c2)c2ccccc2N1 3329000 LNXLDRMXQQSICJ-UHFFFAOYSA-N 300.289 2.190 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1ccccc1Cl)CS2 12874597 AULHSHKKEHGCRR-DOMZBBRYSA-N 324.833 2.410 0 40 DEAB O=C(O[C@@H]1CCOC1=O)c1csc(NCc2ccccc2)n1 84539331 JTMYOSBUFCSZCG-GFCCVEGCSA-N 318.354 2.228 0 40 DEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N(C(C)C)C(C)C)c1 3461672 UTPTULFDESVIHP-UHFFFAOYSA-N 320.389 2.447 0 40 DEAB CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1cc(C)no1 39517150 XESKYSVGAQJZDG-UHFFFAOYSA-N 317.345 2.092 0 40 DEAB CCOC(=O)C(=Cc1ccc(NC(C)=O)cc1)C(=O)OCC 4375943 ZGKQMVWKFLYHAL-UHFFFAOYSA-N 305.330 2.155 0 40 DEAB Cn1ccnc1SCC(=O)Nc1ccc2c(c1)OCCCO2 5358277 KZJZUQQSSNYDAV-UHFFFAOYSA-N 319.386 2.312 0 40 DEAB COc1ccc(CC[C@H](C)NC(=O)NC[C@@H]2CCCO2)cc1 65604980 WKUUFGCESHPIHG-BBRMVZONSA-N 306.406 2.495 0 40 DEAB O=C(CNC(=O)NCc1ccc(F)cc1)Nc1ccc(F)cc1 14206677 AXSGMPUFFLZIPE-UHFFFAOYSA-N 319.311 2.403 0 40 DEAB O=C(COC(=O)c1cccc(O)c1)c1ccc2c(c1)OCO2 5755152 HNIHYYCUOAOZQQ-UHFFFAOYSA-N 300.266 2.161 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccc(N2CCOCC2)cc1 4901769 FUEKDDHOKVRCKY-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCCCc2cn[nH]c2C)C12CCC2 80567971 DLUTWKGTXGKFOX-GJZGRUSLSA-N 320.437 2.298 0 40 DEAB CCCc1nnnn1CC(=O)Nc1ccc(Br)cc1 68068721 DLXBKSUYRWHFFJ-UHFFFAOYSA-N 324.182 2.027 0 40 DEAB CCS(=O)(=O)NCCN[C@H](c1ccc(F)cc1)C(C)C 68801547 YXXUANZPMSPCLJ-AWEZNQCLSA-N 302.415 2.052 0 40 DEAB Cc1n[nH]c(-c2ccc(NC(=O)N3C[C@H](C)O[C@H](C)C3)cc2)n1 71799566 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324.465 2.489 0 40 DEAB COc1ccc([C@H](O)CNCc2cccc3c2OCCO3)cc1 54173656 GKHNXERXBFEPST-MRXNPFEDSA-N 315.369 2.290 0 40 DEAB CN(C)[C@@H](CNC(=O)CCn1cccc1)c1cccc(F)c1 72306905 BTAMMXPFWSKQJQ-INIZCTEOSA-N 303.381 2.436 0 40 DEAB COc1c([C@@H]2CCCN2[C@H](C)c2nnc(C)o2)c(C)nn1C 106908374 UJRNXFMUMFAKAF-PWSUYJOCSA-N 305.382 2.327 0 40 DEAB Cc1cccc2nc(CN3C(=O)C[C@]4(CCSC4)C3=O)cn12 79054783 JSEOLTOKNJZECA-INIZCTEOSA-N 315.398 2.025 0 40 DEAB O=C1[C@@H](NC2CCOCC2)CCN1c1ccc(Cl)c(F)c1 90941669 PDWNJGVTDKAGOR-AWEZNQCLSA-N 312.772 2.353 0 40 DEAB COc1c(C)cnc(CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1C 101254748 GEKCYXXOVPMZGP-JURCDPSOSA-N 312.369 2.014 0 40 DEAB COc1ccc(-c2nnc(COn3nnc4ccccc43)o2)cc1 14305821 QOPHKWOBEIYIJZ-UHFFFAOYSA-N 323.312 2.119 0 40 DEAB COc1c(/C=C/C(=O)N2CCCC2)cc2c(c1OC)OCO2 14638341 KEZQPEQTIXBYKJ-AATRIKPKSA-N 305.330 2.068 0 40 DEAB S=C(/C(=C/N1CCOCC1)c1ccccc1)N1CCOCC1 19074587 UNPWLICDMJRBJE-JQIJEIRASA-N 318.442 2.019 0 40 DEAB Cn1cnnc1S[C@H](C(=O)N1CCCC1)c1ccccc1 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321.398 2.064 0 40 DEAB CCOCCCNC(=O)Nc1c(NC)c2ccccc2oc1=O 101094828 WZRGXLFUPHFRFI-UHFFFAOYSA-N 319.361 2.383 0 40 DEAB Cn1ncc(Br)c1C(=O)NCc1cccs1 1019132 PNEGSCGAVMVBMP-UHFFFAOYSA-N 300.181 2.174 0 40 DEAB O=c1[nH]n(-c2ccc(C(F)(F)F)cn2)c(=O)c2ccccc12 3189334 VPWISPUGLDMCRE-UHFFFAOYSA-N 307.231 2.093 0 40 DEAB COc1cccc(C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1 101633474 BPHFMWMNFVTTMB-ZFWWWQNUSA-N 324.380 2.116 0 40 DEAB CC(C)C(=O)NC(=S)Nc1ccc(Br)cn1 9064104 NQXWTVYIHXCWJK-UHFFFAOYSA-N 302.197 2.313 0 40 DEAB O=C(c1ccc[nH]1)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 108073612 ADOOAFAEKOMTCR-SOUVJXGZSA-N 315.417 2.125 0 40 DEAB CC[C@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)CCO1 48137834 CEQSUJOUCCJWTB-JTQLQIEISA-N 318.295 2.274 0 40 DEAB Cc1c(C(=O)N2CCO[C@@H](C)C2)[nH]c2c1C(=O)CC(C)(C)C2 48234656 AHIVQPJLQLWJLB-JTQLQIEISA-N 304.390 2.339 0 40 DEAB COC(=O)c1cc(C)ccc1OCC(=O)NCc1ccccc1 58014493 ZUNHRMKCXZAEJE-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)CCn1ccc2ccccc21 58222835 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2.370 0 40 DEAB Cc1nn(C)c2sc(C(=O)NCCCOCC3CC3)cc12 54911829 WXRGMFQQOUGGLT-UHFFFAOYSA-N 307.419 2.490 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2C)c2c(C)noc2n1 25002430 FKUXPEKAARXUPZ-VIFPVBQESA-N 313.361 2.373 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1cccc(-c2nnco2)c1 24739603 IPXXPGGSBQABTE-UHFFFAOYSA-N 311.345 2.268 0 40 DEAB CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N(C)CC1CC1)(C3)C2 55521427 JRNRFJJJHLLTGX-BXXOZEPKSA-N 304.434 2.330 0 40 DEAB Cc1nnc2n1C[C@H](CNCCO[C@H]1CCCC[C@H]1C)CC2 106929471 HSTFBVINJUWMGD-KBMXLJTQSA-N 306.454 2.334 0 40 DEAB Cc1cn2nc(NC[C@@H](C)N3C[C@H](C)O[C@H](C)C3)sc2n1 25501357 UIHCCCKHTLOENX-UTUOFQBUSA-N 309.439 2.009 0 40 DEAB CC[C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@@H]1N1CCOCC1 107323296 IKCTXMXHHBTJMJ-BBWFWOEESA-N 319.449 2.008 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2C)C1(C)C 71915916 YZYLBHDICGGYGQ-GJZGRUSLSA-N 318.417 2.045 0 40 DEAB Cc1cn2nc(NCc3ccc4c(c3)OCCO4)sc2n1 26693088 JHJVYOXHFIDHRY-UHFFFAOYSA-N 302.359 2.483 0 40 DEAB 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CC(=O)c1cccc(NC(=O)NCc2cnc(N(C)C)n2C)c1 79358802 IRSYHWSGUJKGBS-UHFFFAOYSA-N 315.377 2.010 0 40 DEAB Cc1ccccc1CN(C)Cn1nc(C)c2c(C)onc2c1=O 65578704 IWWFNRRKGMFXPQ-UHFFFAOYSA-N 312.373 2.399 0 40 DEAB CC(C)c1nn(C)c(N(C)C)c1CNCc1ccccc1CO 65512192 FYNLBXCHNXVVPX-UHFFFAOYSA-N 316.449 2.392 0 40 DEAB c1ccc2c(c1)[nH]c1c(N3CCC4(CC3)OCCO4)ncnc12 6499380 YELCCCDVHFXCFA-UHFFFAOYSA-N 310.357 2.454 0 40 DEAB C[C@H](C(=O)NCc1cccs1)S(=O)(=O)C1CCCC1 76585297 MPEVQFBSPLSBRI-SNVBAGLBSA-N 301.433 2.110 0 40 DEAB C[C@@H]1CCc2sc3nc(NCCCO)n4ncnc4c3c2C1 5562197 NNURIWCVWKEBTJ-SECBINFHSA-N 317.418 2.258 0 40 DEAB CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1cc(C)cc(C)c1 71885960 GLAIXTLNPCHOHT-ZDUSSCGKSA-N 312.435 2.098 0 40 DEAB Cc1ccc(Nc2nc(NCCCO)nc3c2cnn3C)cc1 9273231 VPYAMWXEKKGZFA-UHFFFAOYSA-N 312.377 2.210 0 40 DEAB CCCc1noc(CCCC(=O)NCC2(C)CCN(C)CC2)n1 96003216 FPKKDVZFSPFGOY-UHFFFAOYSA-N 322.453 2.193 0 40 DEAB CCc1nc(CN2CCC[C@@H](N(C)C[C@@H]3CCCCO3)C2)no1 71882286 HXVJNFJFZGCLFY-CABCVRRESA-N 322.453 2.097 0 40 DEAB Cc1c(C(=O)N2CCN(C[C@H](C)O)CC2)oc2c(F)cccc12 71871071 OXWHSUBBKWGDCH-NSHDSACASA-N 320.364 2.019 0 40 DEAB COc1ccc([C@@H](CNC(=O)c2cc(C)on2)N(C)C)cc1 7987201 FHKPHOJPBNFSJB-OAHLLOKOSA-N 303.362 2.024 0 40 DEAB CN(C)C1CCN(C(C)(C)CNC(=O)Nc2cccnc2)CC1 69033516 WJWSLMBWDOBMSD-UHFFFAOYSA-N 319.453 2.008 0 40 DEAB Cc1cc(C)cc(C[S@@](=O)CC(=O)NCc2ccco2)c1 69488271 FAZJTNVNYHVRBT-NRFANRHFSA-N 305.399 2.462 0 40 DEAB C[C@@H]1CN(C(=O)CN(C)Cc2ccc(Cl)s2)CCO1 69589660 RCZUNKUPQQTQHM-SNVBAGLBSA-N 302.827 2.081 0 40 DEAB C[C@H](NC(=O)N1CC[C@H](c2cccc(F)c2)C1)c1nncn1C 69698633 VFTNDVOWDUYVGO-AAEUAGOBSA-N 317.368 2.214 0 40 DEAB CCOCCOc1ccc(Br)cc1NC(N)=O 97048871 QZWBOFXROAFWFT-UHFFFAOYSA-N 303.156 2.355 0 40 DEAB C[C@@H](c1ccsc1)N1CCN(CC(=O)N2CCCCC2)CC1 97142275 MUXQYFXUTAQQNS-HNNXBMFYSA-N 321.490 2.439 0 40 DEAB C[C@@H](NC(=O)NCCC1(C)OCCO1)c1ccc(F)cc1F 97136582 CQWOATHKIBMBKP-SNVBAGLBSA-N 314.332 2.478 0 40 DEAB CN1CC[C@@H](NC(=O)CCn2ccc3cc(Cl)ccc32)C1=O 95442976 SESNMUXRMQAPDU-CYBMUJFWSA-N 319.792 2.032 0 40 DEAB O=C1CC[C@H](C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)N1 95987070 ODHBKPJEAJRYIY-OAHLLOKOSA-N 320.352 2.243 0 40 DEAB CCN(CC)CCNC(=O)c1cc2cnn(C(C)C)c2nc1C 95946609 GDCZLMAPDLYFDN-UHFFFAOYSA-N 317.437 2.392 0 40 DEAB Cc1cccc(OC2CCN(C(=O)c3cc(C)on3)CC2)n1 95993490 VUVLQVCCJWCVDE-UHFFFAOYSA-N 301.346 2.370 0 40 DEAB OCCC1(CNc2ncnc3ccc(F)cc23)CCOCC1 74771613 ZLOQDWGQVALMFK-UHFFFAOYSA-N 305.353 2.360 0 40 DEAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2nnc3n2CCC3)C1 89274936 BQOUUPUUAFFSIP-NEPJUHHUSA-N 323.466 2.040 0 40 DEAB CC(=O)NCCCS[C@H](C)C(=O)N1CCc2ccccc2C1 75584411 LTPQPJKIHXFIPW-CYBMUJFWSA-N 320.458 2.219 0 40 DEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 2101211 IRMPITCUTYXXON-CABCVRRESA-N 312.369 2.494 0 40 DEAB biogenic Cc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CC(C)C 555349602 BGNMHFPEUGJYPJ-CQSZACIVSA-N 301.394 2.295 0 40 DEAB CC(C)CC[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1F 77920957 JIBOHRYFZUXCCR-INIZCTEOSA-N 310.369 2.068 0 40 DEAB COc1ccc(-c2noc(CCN3CCSC3=O)n2)cc1 78774133 FORBYZKZOIQZBL-UHFFFAOYSA-N 305.359 2.457 0 40 DEAB CN(Cc1nnc2n1CCC[C@H]2C(F)(F)F)c1ncccn1 1548521818 PPLJZNVRVCJUPA-SECBINFHSA-N 312.299 2.144 0 40 DEAB CCN1CCO[C@@H](C(=O)N[C@@H](c2ccccc2)C(F)(F)F)C1 74346326 KOSXNIDUTVBZBE-OLZOCXBDSA-N 316.323 2.127 0 40 DEAB Cc1cc(CCC(=O)O)cc([C@H]2CCCN2Cc2ncc[nH]2)n1 72367040 YCDYJLPQENRCBX-OAHLLOKOSA-N 314.389 2.467 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@@H](C)O1 14138292 XALCOQWQEWAIBY-RKDXNWHRSA-N 307.774 2.277 0 40 DEAB CCC(=O)N1CCS/C1=C/c1cnc(SC)nc1OC 225240599 FZWVXYBFSWEFIV-YRNVUSSQSA-N 311.432 2.491 0 40 DEAB C[C@@H](CN(C(=O)c1ccn(C2CCCC2)n1)C1CC1)C(=O)O 195551858 PKWHJQCMGUEXTR-NSHDSACASA-N 305.378 2.324 0 40 DEAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 223602056 GHTUIPODPXYUHK-UONOGXRCSA-N 303.387 2.030 0 40 DEAB CC(C)c1nnc(C(=O)N[C@H](C)c2nnc3ccccn23)s1 225799506 DYSWFWYWRRTMPE-SECBINFHSA-N 316.390 2.195 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)o1 96056555 NVONHIFZHGGLGU-ZIAGYGMSSA-N 302.374 2.204 0 40 DEAB CC(C)c1n[nH]c(C(=O)NC2=NO[C@H](C)C2)c1Br 95448373 QDNROHNCJMUERV-ZCFIWIBFSA-N 315.171 2.148 0 40 DEAB CC(=O)N1CC2(CCN(C(=O)N(C)C)CC2)c2cc(C)ccc21 96241374 ZXAYGHZTEZDLNF-UHFFFAOYSA-N 315.417 2.377 0 40 DEAB COc1cccc(C(=O)Nc2cnn(C3CCOCC3)c2)c1 96104567 OBLRILVPBYCYSX-UHFFFAOYSA-N 301.346 2.496 0 40 DEAB O=C(NCC1(c2ccccc2Br)CC1)c1cnn[nH]1 96420914 IXZCPPCBMYFOFU-UHFFFAOYSA-N 321.178 2.029 0 40 DEAB O=C(CC1CC1)N1CCc2onc(COc3ccccn3)c2C1 96260025 QOLWBUMFPZJMGC-UHFFFAOYSA-N 313.357 2.333 0 40 DEAB CCOCC(=O)N1CC[C@H](OC)[C@@H](Cc2cccc(C)c2)C1 96206238 YRWMFHCVSZSYTO-IRXDYDNUSA-N 305.418 2.438 0 40 DEAB CCc1cnc(N2CC[C@@]3(CCCN(c4ncccn4)C3)C2)nc1 96158258 PRUHCJNWXLPVJK-GOSISDBHSA-N 324.432 2.326 0 40 DEAB CCn1ncc2c1[C@@H](COC)N(C(=O)Cc1cccs1)CC2 96068198 CPKZEKSTSYXIAZ-CQSZACIVSA-N 319.430 2.279 0 40 DEAB COc1ccc(C(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)cn1 257294377 QTVJYRUHDZKWJW-CQSZACIVSA-N 312.373 2.208 0 40 DEAB CSCC(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575403142 JFEPWSGIJCRXHS-CYBMUJFWSA-N 324.471 2.048 0 40 DEAB CSC[C@@](C)(O)CNC(=O)Cc1c(F)cccc1Cl 151196946 JFIQUVZKIOERJO-ZDUSSCGKSA-N 305.802 2.252 0 40 DEAB CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(OC)c1 35214924 PPJMAQJWJCRDHK-SMDDNHRTSA-N 322.430 2.125 0 40 DEAB Cc1oc(-c2cccs2)nc1C(=O)O[C@@H](C)C(=O)N(C)C 46540926 DYJQFAGGEXGSKV-VIFPVBQESA-N 308.359 2.345 0 40 DEAB Fc1cnc(OC2CCN(c3ccnc(C4CC4)n3)CC2)nc1 1776008684 MELCYUICVAHTIZ-UHFFFAOYSA-N 315.352 2.331 0 40 DEAB Cc1ccccc1NC(=O)NCC1(N2CCOCC2)CCC1 1776008555 LFQRWVIXYBVNLC-UHFFFAOYSA-N 303.406 2.371 0 40 DEAB O=C(CSc1ncccc1C(=O)O)Nc1cccc(O)c1 76555288 ZXXJRLSQULTCFC-UHFFFAOYSA-N 304.327 2.216 0 40 DEAB C[C@]1(CO)CCC[C@H]1NC(=O)c1cc(Cl)c2c(c1)OCO2 79109992 MFSDLFDHXLYPRG-IUODEOHRSA-N 311.765 2.350 0 40 DEAB Cc1cnc(OC2CCN(C(=O)NC3CCCC3)CC2)nc1 654343946 TXDZXZXNQLDBDV-UHFFFAOYSA-N 304.394 2.280 0 40 DEAB Cc1ncsc1C(=O)N[C@@H](C)Cn1nnc2ccccc21 12183323 ZDHMALPPEUSYHO-VIFPVBQESA-N 301.375 2.015 0 40 DEAB COc1ccc(Cl)cc1NC(=O)CCN1CCC(O)CC1 12900338 JHHWQEQQBYQPJF-UHFFFAOYSA-N 312.797 2.134 0 40 DEAB O=C(NCc1cc(F)ccc1F)N1CCN(CC(F)F)CC1 104804797 HBKUNRQDFFURFV-UHFFFAOYSA-N 319.302 2.057 0 40 DEAB COc1ccccc1C(=O)NCCc1ccc2c(c1)OCCO2 9495066 AOTYXZUSBMTYJT-UHFFFAOYSA-N 313.353 2.439 0 40 DEAB COCCNC(=O)CSc1nc(C2CC2)nc2ccccc12 10940546 HVFYMUJVIKYTRY-UHFFFAOYSA-N 317.414 2.362 0 40 DEAB Cc1cc(C(=O)CSc2nc(N)cc(=O)[nH]2)c(C)n1C1CC1 11535527 BSDJRJQFTFJXNV-UHFFFAOYSA-N 318.402 2.080 0 40 DEAB CNC(=S)Nc1cc2c(cc1Br)OCCO2 7978431 ZDAHYRISLVHAJV-UHFFFAOYSA-N 303.181 2.137 0 40 DEAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1nc2ccccc2s1 238820516 CNRREGQNWBBNEW-GFCCVEGCSA-N 315.402 2.342 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@@]1(O)CCCc2occc21 1565522991 WSIOWGFBPDBLEA-SFHVURJKSA-N 315.369 2.307 0 40 DEAB CS(=O)(=O)N1CCN=C1SCc1ccccc1Cl 2711595 IITJBJMVJVGNTN-UHFFFAOYSA-N 304.824 2.204 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1 4005014 UUMNDOQWWAUNHG-UHFFFAOYSA-N 321.427 2.491 0 40 DEAB O=C(NCc1ccco1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4373829 DFVZKKPFYFQVCF-LBPRGKRZSA-N 317.320 2.023 0 40 DEAB Cc1ccc(NC(=O)C[C@H](NCCCOC(C)C)C(=O)O)cc1 4939475 YNMRJSHQTRJZQK-HNNXBMFYSA-N 322.405 2.182 0 40 DEAB COc1cc2c(cc1CN[C@H](C)Cn1cccn1)O[C@@H](C)C2 30904465 VOIANIOZHFSWHI-OLZOCXBDSA-N 301.390 2.393 0 40 DEAB O=C(CCc1cccs1)Oc1ccc(-n2cnnn2)cc1 40460924 CQZCFJBCJUKXJQ-UHFFFAOYSA-N 300.343 2.262 0 40 DEAB CNC(=O)NC(=O)[C@H](C)Nc1ccc(Br)c(C)c1 20303129 VHVHYIKFUJTSBW-QMMMGPOBSA-N 314.183 2.014 0 40 DEAB O=C(c1cc(F)cc(F)c1)N1CCC(CN2CCOCC2)CC1 40539065 LSTCTIRJDFIYPD-UHFFFAOYSA-N 324.371 2.149 0 40 DEAB O=C(O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1 386862 GLHBEGVYVBHTQV-UHFFFAOYSA-N 316.313 2.013 0 40 DEAB Cc1nc(-c2ccc(NC(=O)Cn3ccccc3=O)cc2)co1 32776585 QKPHRDDVTWIOSJ-UHFFFAOYSA-N 309.325 2.450 0 40 DEAB O=S(=O)(Nc1ccc(C2=NCCO2)cc1)c1ccccc1 74574 OJIFYCAPLAIPMY-UHFFFAOYSA-N 302.355 2.264 0 40 DEAB O=C(O)CN(C(=O)CCc1nc2ccccc2s1)C1CC1 37589263 BXFNHEHAUUFVON-UHFFFAOYSA-N 304.371 2.305 0 40 DEAB NC(=O)NC(=O)[C@H](c1ccccc1)N1CC[C@H]2CCCC[C@@H]2C1 103257378 HMGQEVPWWCQOBY-BMFZPTHFSA-N 315.417 2.435 0 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2.097 0 40 DEAB O=C(CCc1cccnc1)Nc1ccccc1N1CCOCC1 12543923 KTUQMXPFABFMBU-UHFFFAOYSA-N 311.385 2.490 0 40 DEAB Cc1ccn2c(=O)c(NC(=O)COc3ccccc3)c(C)nc2c1 9617255 YTGXIPDMSHAQIN-UHFFFAOYSA-N 323.352 2.329 0 40 DEAB CN(C)C(=O)CCNC(=O)N1CCC[C@@H]1c1cccc(F)c1 56879375 KFLQAOLOAIRKJO-CQSZACIVSA-N 307.369 2.151 0 40 DEAB CC(C)(NC(=O)COc1ccc(Cl)c2ccccc12)C(N)=O 57255830 PDVGZZUIADIWCJ-UHFFFAOYSA-N 320.776 2.252 0 40 DEAB COc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)cc1OC 57416230 GBXYUBZAFFDSBM-UHFFFAOYSA-N 315.373 2.236 0 40 DEAB CN(C)c1cc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)ccn1 97164130 GYBGXJAUKJJGHY-ZIAGYGMSSA-N 300.362 2.295 0 40 DEAB Cc1ccc([C@@H](CNC(=O)CC(F)(F)F)N2CCOCC2)o1 44610419 VEQIGMVIFIAHTL-LLVKDONJSA-N 320.311 2.030 0 40 DEAB CCCO[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 108321890 AUIPYABPZWHBKA-UONOGXRCSA-N 322.405 2.206 0 40 DEAB O=C(NCCCCN1CCOCC1)c1ccc(Cl)cc1F 48285298 WEHVRCIZTQPANJ-UHFFFAOYSA-N 314.788 2.321 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)N1CCOCC1)c1cccs1 48235516 GFHSNMVSSRPPLB-LBPRGKRZSA-N 311.451 2.219 0 40 DEAB CCN(C(=O)[C@H](C)N)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100178032 YZKQBYNYTQCHEH-RWMBFGLXSA-N 313.442 2.018 0 40 DEAB CS(=O)(=O)NC1CCN(c2cccc(C(F)(F)F)c2)CC1 58265418 YEXXYIYFQTUALN-UHFFFAOYSA-N 322.352 2.223 0 40 DEAB COc1ccccc1SCC(=O)NC(=O)NCC(F)(F)F 58249718 PGDHBMJQKKDKOQ-UHFFFAOYSA-N 322.308 2.175 0 40 DEAB CC(C)=C[C@@H]1[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C1(C)C 58420514 HCPWQKAEFHLHJM-DOMZBBRYSA-N 302.422 2.421 0 40 DEAB Cc1cc(C)n(CC(=O)Nc2ncc(Br)s2)n1 27982485 HKOJTFKFAPAIIW-UHFFFAOYSA-N 315.196 2.358 0 40 DEAB Cc1c(CN2CCOC[C@H]2CC(=O)c2cccs2)cnn1C 119589318 DSGHNJJASKULOV-CQSZACIVSA-N 319.430 2.264 0 40 DEAB CCOC(=O)C(=CNc1cccc(NC(C)=O)c1)C(=O)OCC 3367989 FYKKLYBVKXLVII-UHFFFAOYSA-N 320.345 2.067 0 40 DEAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 20939990 UOBAMUHKMALLRG-UHFFFAOYSA-N 308.403 2.091 0 40 DEAB CC1CCN([C@H](C)CNC(=O)c2n[nH]c3ccccc23)CC1 60156703 WADQKRIQDKVBFP-CYBMUJFWSA-N 300.406 2.413 0 40 DEAB c1ccc(CCNc2ncnc3c2cnn3-c2ccccn2)nc1 46088330 AWNAJUCSZSAWHL-UHFFFAOYSA-N 317.356 2.260 0 40 DEAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3cn[nH]c3)cc2)C[C@@H](C)O1 29712131 PXDKMYCKGQEPGQ-CHWSQXEVSA-N 314.389 2.271 0 40 DEAB O=C(NCCCn1ccnc1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 62466117 GIHYSXQMDBDQGY-PJPHBNEVSA-N 302.422 2.493 0 40 DEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 8937078 IPLGVEFQEWEJRD-INIZCTEOSA-N 315.394 2.271 0 40 DEAB CC(=O)c1ccccc1NC(=O)COC(=O)c1cccc(O)c1 3511085 NUZYZSRIOZRIBL-UHFFFAOYSA-N 313.309 2.390 0 40 DEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCCc2ccccc21 6510085 IOYHPXYAPNOZGV-UHFFFAOYSA-N 319.364 2.445 0 40 DEAB CCOc1cc2c(=O)ccn(CCC(=O)O)c2cc1OCC 62718833 CXPSXNNPFNCVAF-UHFFFAOYSA-N 305.330 2.274 0 40 DEAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(NCCO)nc21 9212256 LHILEXUDPFOJPB-UHFFFAOYSA-N 318.768 2.165 0 40 DEAB CC(=O)O[C@]1(c2ccccc2)C(=O)c2ccccc2N(C)C1=O 6666674 WYYJRIUYXGGHHD-GOSISDBHSA-N 309.321 2.304 0 40 DEAB CC(C)n1cc(NC(=O)c2ccccc2S(C)(=O)=O)cn1 66412379 HBXYCLQBCLXALT-UHFFFAOYSA-N 307.375 2.120 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)Nc2cccc(N(C)C)n2)o1 96013139 ONXJPBGSZLYJHE-INIZCTEOSA-N 318.377 2.078 0 40 DEAB C[C@H](C(=O)NC(N)=O)N1Cc2ccccc2[C@H](c2ccccc2)C1 67962621 SDHCVMMWWINKIQ-DYVFJYSZSA-N 323.396 2.218 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)NCc1nnc2ccccn12 7777507 WGAWLLKJIXIGLO-UHFFFAOYSA-N 305.341 2.070 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnnn1C1CC1 8073654 QAOVMIVYCZWPNN-SNVBAGLBSA-N 315.402 2.078 0 40 DEAB CCc1cccc(NS(=O)(=O)c2ccc(C(N)=O)cc2)c1 16726473 RSWSVPNCXCQFQE-UHFFFAOYSA-N 304.371 2.149 0 40 DEAB CCS(=O)(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 97046127 GEQVQLZBOSCBBO-ZDUSSCGKSA-N 320.418 2.001 0 40 DEAB CN(C)c1nc(CNC2CCN(c3nccs3)CC2)cs1 97081067 NQGMVNIRYRGEKR-UHFFFAOYSA-N 323.491 2.424 0 40 DEAB Cn1ncc2c(=O)n(Cc3ccccc3C(F)(F)F)cnc21 17180410 PANPKYGSEQKALE-UHFFFAOYSA-N 308.263 2.197 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)no1 72294951 VUEUKPYBCJCJIY-CABCVRRESA-N 320.437 2.347 0 40 DEAB Cc1cnn(C[C@@H](C)NCCCn2c(=O)oc3ccccc32)c1 69664978 FEWBIXMDKXPCPD-CQSZACIVSA-N 314.389 2.168 0 40 DEAB CC(C)(C)[C@@H](O)CN1CCN(CCOc2ccccc2F)CC1 69652643 WVCFJWOFORIPEM-KRWDZBQOSA-N 324.440 2.229 0 40 DEAB CCCc1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)[nH]n1 69778827 FPCSEIAAEOITKX-CQSZACIVSA-N 301.394 2.254 0 40 DEAB O=C1CC[C@H](C(=O)NC2c3ccccc3Oc3ccccc32)N1 69776489 DIHXNUMRFJWYJX-CYBMUJFWSA-N 308.337 2.277 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 71869936 ODJGYTZHVCOXLM-GVDBMIGSSA-N 310.401 2.381 0 40 DEAB Cc1ccc(CCC(=O)N2CCN(CC(=O)C3CC3)CC2)cc1 72288322 VHLQIISWNSUITQ-UHFFFAOYSA-N 314.429 2.051 0 40 DEAB C[C@](Cc1ccccc1)(NC(=O)CCc1cscn1)C(=O)O 95424782 WTUXTQYBSKAXQY-MRXNPFEDSA-N 318.398 2.278 0 40 DEAB Cc1cccc2nc(CN3CCC[C@H](C(=O)NC4CC4)C3)cn12 95957690 ZBFIJSGWAKTQJB-AWEZNQCLSA-N 312.417 2.133 0 40 DEAB CN(C(=O)CN(Cc1cccs1)C[C@H]1CCCO1)C1CC1 95954949 BSTAIPSLZDETIY-CQSZACIVSA-N 308.447 2.350 0 40 DEAB Cc1ccc(CN(C)C(=O)Nc2cccc(C(N)=O)n2)s1 95976816 XOSBWXXJNYBYJM-UHFFFAOYSA-N 304.375 2.214 0 40 DEAB O=C(N[C@H](c1nccs1)C1CC1)N1CCN(C2CC2)CC1 74708320 QVFDTGOGFXVWKO-ZDUSSCGKSA-N 306.435 2.084 0 40 DEAB Cc1csc(Cn2cnc3c(cnn3-c3ccccc3)c2=O)n1 89705659 FWADVKJHQWPBIT-UHFFFAOYSA-N 323.381 2.395 0 40 DEAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N(CCO)CC1CC1 89858001 TVNZDSUHSKVVOW-APWZRJJASA-N 314.429 2.304 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CCN(C(=O)c2ccccc2)C1 89894155 PKJVTLZCRMITQY-XJKSGUPXSA-N 315.417 2.341 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)CC1 22863644 YFJXJPMQFHEZTK-ULQDDVLXSA-N 312.498 2.216 0 40 DEAB O=C(NCc1ccccn1)C(=O)Nc1cccc2c(O)cccc12 36358348 XPKNGNANJLUDHL-UHFFFAOYSA-N 321.336 2.195 0 40 DEAB Cc1cc(NC(=O)CN2CCN(c3ccccc3C)CC2)no1 55399181 PBGCLBSDBWTSRT-UHFFFAOYSA-N 314.389 2.052 0 40 DEAB Cc1ncccc1CNC(=O)N1CC[C@@H](n2cc(Cl)cn2)C1 528260677 QKNFAOTWAPCBDM-CQSZACIVSA-N 319.796 2.397 0 40 DEAB O=C(C[C@H]1CCCc2ccccc21)NC[C@H]1CCS(=O)(=O)C1 78666089 HDTXEONHHFOTJY-UKRRQHHQSA-N 321.442 2.048 0 40 DEAB COCCNc1nc2ccccc2c2nc(-c3ccncc3)nn12 6805464 IJSYOQORHRPLFQ-UHFFFAOYSA-N 320.356 2.398 0 40 DEAB CNS(=O)(=O)c1ccc(NC2CCCCC2)c(C(=O)O)c1 217536178 ALILVLKTTLCNPN-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB CC(C)(C)OC(=O)N(C1CC1)[C@H]1CCCC[C@@H]1NCC(=O)O 79410829 KHRQCZBUDWJOIO-STQMWFEESA-N 312.410 2.371 0 40 DEAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(OC)cc1 72242007 IWIBTODXKIXXSG-DOTOQJQBSA-N 318.417 2.473 0 40 DEAB Cc1cc(C)c(CNC(=O)N2CC[C@@H](c3nccn3C)C2)cn1 567327167 UVMWVJZGVRBSMX-CQSZACIVSA-N 313.405 2.131 0 40 DEAB C[C@H](CCc1ccc(O)cc1)NCC1CCS(=O)(=O)CC1 136674019 PYFYODBKECSVNT-CYBMUJFWSA-N 311.447 2.128 0 40 DEAB CS(=O)(=O)c1cc(C(=O)NC2CCCC2)ccc1Cl 14109489 YBCUEPBVIDSUDD-UHFFFAOYSA-N 301.795 2.416 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1cc(-c2ccccc2Cl)nn1C 80330445 ZBZZPTKAQYILOD-VIFPVBQESA-N 321.764 2.032 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 222261074 HONQEFYUORJRCP-FFRIZKCHSA-N 307.349 2.447 0 40 DEAB Cn1cnnc1CN[C@@H]1CCCC[C@@H]1OCc1ccccc1 195570303 QCKFDPOZDSNOCH-CVEARBPZSA-N 300.406 2.433 0 40 DEAB COc1ccccc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 41115314 BHDJMDGOPSTURF-UHFFFAOYSA-N 320.389 2.388 0 40 DEAB Cc1ccc(O[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)nn1 225464294 KYBKNEPGBFKTKN-CQSZACIVSA-N 317.414 2.459 0 40 DEAB Cc1ncsc1CN(C)C[C@@H]1CCN(CCn2cccn2)C1 195258047 LGRXBCLWBOACCM-HNNXBMFYSA-N 319.478 2.102 0 40 DEAB CN1CCN(C[C@H]2CCCN(c3ncccc3Cl)C2)CC1 88719155 PKDCQOGLPBNZGD-CQSZACIVSA-N 308.857 2.199 0 40 DEAB C[C@H]1CN(CCN(C)C(=O)c2cccc(F)c2F)C[C@@H](C)O1 194732838 WHDJASVYBKWNFT-TXEJJXNPSA-N 312.360 2.146 0 40 DEAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccco3)nn12 95476269 CGKQAUWUNYOSNA-UHFFFAOYSA-N 306.738 2.500 0 40 DEAB Cc1cc(C(=O)NCc2ccnc(-c3cccnc3)c2)n(C)n1 238827370 FBPZMBBQYMVVCE-UHFFFAOYSA-N 307.357 2.116 0 40 DEAB CC[C@@H]1OC[C@H]2CN(C(=O)COc3ccccc3OC)CC[C@@H]12 96207536 WOWDLUWPRGJYIS-KFWWJZLASA-N 319.401 2.348 0 40 DEAB COc1nccc2c(NC(=O)COC[C@H]3CCCO3)cccc12 579685077 UXOZPSAKMRKEFX-GFCCVEGCSA-N 316.357 2.378 0 40 DEAB C[C@@H](Sc1ncc(CO)n1C)C(=O)N[C@H](C)c1ccccc1 96444640 XATZVKHQZBCVAQ-VXGBXAGGSA-N 319.430 2.270 0 40 DEAB Cc1cc(C)nc(Nc2ccc(C(=O)NCCN(C)C)cc2)n1 95474336 WZLXEYISCWTUGQ-UHFFFAOYSA-N 313.405 2.128 0 40 DEAB Cc1ccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)o1 96053627 FDFMYEKBXMCFEJ-DZGCQCFKSA-N 310.353 2.323 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 96479542 FZMUJUFJBBNJHA-SNVBAGLBSA-N 304.321 2.173 0 40 DEAB CCc1nncn1CCN[C@@H]1CCN([C@@H](C)c2ccccc2)C1 96461854 BYUQWMRPEKPOQE-DOTOQJQBSA-N 313.449 2.266 0 40 DEAB Clc1cnc(N2CCC(c3nncn3C3CC3)CC2)nc1 91483575 CFDSLVZRAHNSBH-UHFFFAOYSA-N 304.785 2.440 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)CCOc2ccccc2)n1 257259679 KZMLYMLIQXBULR-HNNXBMFYSA-N 315.373 2.087 0 40 DEAB O=C(C[S@](=O)C[C@H]1CCCO1)N[C@@H](c1ccccc1)C1CC1 253355434 AYTMXLOORCSJKS-ULYRPOKDSA-N 321.442 2.182 0 40 DEAB O=C(/C=C/c1ccccc1)N1CCO[C@@H](CCc2ccncn2)C1 257334275 YFFKIDSMLDRTOV-YOCVDRLZSA-N 323.396 2.350 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCN(C)[C@H](c3ccccc3)C2)n1 257235983 HAJHIMRJEFAEET-KRWDZBQOSA-N 312.417 2.015 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@H](c2ccn[nH]2)C1 257295603 QZCYCEFJSBGVGK-LBPRGKRZSA-N 301.394 2.379 0 40 DEAB NC(=O)Nc1cccc(C(=O)N2CCCC[C@H]2CCC(=O)O)c1 262104333 DACQCAANBGGRDY-ZDUSSCGKSA-N 319.361 2.037 0 40 DEAB Cn1cc2c(n1)CCC[C@H]2NCCNc1ccc2ccccc2n1 571587771 VRDWBQOIYHACNF-QGZVFWFLSA-N 321.428 3.047 0 40 DEAB CCCc1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)[nH]n1 69778829 FPCSEIAAEOITKX-AWEZNQCLSA-N 301.394 2.254 0 40 DEAB Cc1ccc(N2CCC[C@H](Nc3ncnc4c3CCC4)C2)nn1 72276307 WFPWFKYYLQYKHB-ZDUSSCGKSA-N 310.405 2.145 0 40 DEAB Cc1noc2ncc(C(=O)N3CCN(C4CCCC4)CC3)cc12 47842224 WODKBHWJQJKWAR-UHFFFAOYSA-N 314.389 2.232 0 40 DEAB CC(C)n1ncc2cc(NC(=O)NC[C@@H]3CCOC3)cnc21 48064053 MELPCZYJRPSECU-NSHDSACASA-N 303.366 2.170 0 40 DEAB COc1cc(C(=O)N(C)CCCC(=O)O)cc(Cl)c1OC 37411710 QDLQFXQQZNLOJW-UHFFFAOYSA-N 315.753 2.294 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 76377743 XWDVTSXVWFBNJA-WDEREUQCSA-N 301.433 2.142 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1Cc1cnc2c(C)cccn12 92510410 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O=C(N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1)C1(F)CCC1 1565546564 HGQSCOZKALJOSS-GDBMZVCRSA-N 319.380 2.146 0 40 DEAB CCCCCN[C@@H](CC(=O)Nc1ccc(N(C)C)cc1)C(=O)O 4189771 VDNQZTCZOMVPCD-HNNXBMFYSA-N 321.421 2.314 0 40 DEAB CC(=O)CSc1ncnc2c1nnn2Cc1ccc(C)cc1 4166406 CCRVYBHYNFDNBC-UHFFFAOYSA-N 313.386 2.259 0 40 DEAB CCCc1cc(=O)[nH]c2nnc(SCc3cccnc3)n12 4250258 XIIFAELWRNYUEI-UHFFFAOYSA-N 301.375 2.057 0 40 DEAB CCOc1ccccc1C(=O)N1c2ccccc2C[C@@H]1C(=O)NC 9820588 IJDFMPPKQDUMOV-MRXNPFEDSA-N 324.380 2.403 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2o1 10255801 BDJASIXWJVHXPJ-CQSZACIVSA-N 306.321 2.490 0 40 DEAB Fc1ccc(CSc2nnc(N3CCNCC3)s2)cc1 26421919 FNJIRDJNIYKYNJ-UHFFFAOYSA-N 310.423 2.379 0 40 DEAB Cc1[nH]c(=O)c(C(=O)Nc2cc(C(C)(C)C)no2)c(O)c1C 207011325 PVKXGTSTFXKDPM-UHFFFAOYSA-N 305.334 2.235 0 40 DEAB COc1ccc(N(C)C(=O)c2ccc(-c3ncn(C)n3)cc2)cn1 97235979 SVQAGXDWQYKAJJ-UHFFFAOYSA-N 323.356 2.162 0 40 DEAB Cc1ccc(-n2nc(C)c(C(=O)N3CCOC[C@H]3C)n2)c(C)c1 40074437 BJFINQFGWPLDMT-CYBMUJFWSA-N 314.389 2.053 0 40 DEAB C[C@H](SC(F)(F)F)C(=O)Nc1ccc(CC(N)=O)cc1 31135216 RSSRMLFIQNLHFU-ZETCQYMHSA-N 306.309 2.294 0 40 DEAB COc1ccccc1-c1cc(C(=O)N2CCO[C@@H](C)C2)no1 40512466 ACDJLLAWRXGWIB-NSHDSACASA-N 302.330 2.211 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)C[C@@H](C)O1 40527082 QWBXKHIPSXNJDI-RKDXNWHRSA-N 311.769 2.080 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)c2cc(Cl)ccn2)c1 21561200 OWIWMQPFIZCZIC-UHFFFAOYSA-N 314.736 2.178 0 40 DEAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccco1 412942 XJUHMLBKYRCXLI-UHFFFAOYSA-N 306.391 2.273 0 40 DEAB Cc1ccc(N([C@@H](C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1 571890 ZNJDWEFUMODNQL-AWEZNQCLSA-N 324.446 2.162 0 40 DEAB COc1ccc(C2=NO[C@@H](C(=O)NCc3ccco3)C2)cc1 1067618 XHWAHMAHZUZKSZ-OAHLLOKOSA-N 300.314 2.098 0 40 DEAB Cc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)no1 22144075 VWYODWBXMBJKEA-UHFFFAOYSA-N 310.317 2.224 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)o1 53275625 KDDWUCROKBAIBA-RISCZKNCSA-N 304.390 2.060 0 40 DEAB O=C(CCc1cccs1)N[C@H](Cc1ccccc1)C(=O)O 37406826 ANLLSPNGPWNBID-CQSZACIVSA-N 303.383 2.493 0 40 DEAB O=C(CNC(=O)N1CCC[C@H]1C1CCCCC1)N1CCCC1 79953571 BSMBGBOPTOTFLD-HNNXBMFYSA-N 307.438 2.363 0 40 DEAB CNC(=O)c1ccc(NC(=O)N(C)Cc2nccs2)c(C)c1 95405893 SIQBXCRJTLFEDQ-UHFFFAOYSA-N 318.402 2.475 0 40 DEAB O=C(CN1CCCCCCC1=O)NCCc1ccccc1F 47746858 YSIFYQCWSPVTNS-UHFFFAOYSA-N 306.381 2.277 0 40 DEAB CC(C)(CNC(=O)N1CCN2CCCC[C@H]2C1)N1CCCCC1 105081527 XRMNWEAPYVEAOK-INIZCTEOSA-N 322.497 2.131 0 40 DEAB C[C@H]1CN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 25412870 IZWJOUMUHPOODF-HLPPOEQASA-N 318.417 2.124 0 40 DEAB CCN1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 35307954 HPRDVAAVVBNNAG-UHFFFAOYSA-N 323.245 2.320 0 40 DEAB Cc1cc(C(=O)N2CCNC(=O)[C@H]2C(C)C)nc2ccccc12 108805260 OJRDHXUZVLMCKN-MRXNPFEDSA-N 311.385 2.140 0 40 DEAB COc1cc2nc(Cl)nc(N3CCN(C)CC3)c2cc1OC 2026564 QDRZTXVHTDMNBH-UHFFFAOYSA-N 322.796 2.052 0 40 DEAB Nc1cc2c(nn1)CCN(C(=O)[C@@H]1CCCc3ccccc31)C2 84581897 SYWZMRKAOPLWNJ-OAHLLOKOSA-N 308.385 2.064 0 40 DEAB Cc1cc(N[C@@H]2CCCN(c3ccccc3)C2=O)n2ncnc2n1 95397223 BRNNZXHTHHEZGH-CQSZACIVSA-N 322.372 2.040 0 40 DEAB Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2CCCO2)nc1 48232049 ZYKCZHBQIYVIQK-KBPBESRZSA-N 306.410 2.059 0 40 DEAB CN(Cc1ccsc1)C(=O)C1CCN(c2ncccn2)CC1 48277984 ABUMUIXEBHYHHL-UHFFFAOYSA-N 316.430 2.413 0 40 DEAB O=C(Nc1cnn(Cc2ccccn2)c1)c1cccnc1S 58230342 FCRZHOLECKIWMH-UHFFFAOYSA-N 311.370 2.262 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1ccc(C(F)(F)F)nc1 48289680 WYWTWOQUNMEPKA-NWDGAFQWSA-N 313.323 2.457 0 40 DEAB O=C(Nc1ccccc1O)C1CCN(C(=O)N2CCCC2)CC1 58268374 AZZAMRAPPORMMK-UHFFFAOYSA-N 317.389 2.259 0 40 DEAB CCOC(=O)N(C)CC(=O)N1CCc2[nH]c3ccccc3c2C1 48249208 SOPYTBTXWMWWJN-UHFFFAOYSA-N 315.373 2.141 0 40 DEAB COc1ncccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44954520 LKSXFVFINCXYOB-GFCCVEGCSA-N 311.341 2.082 0 40 DEAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1 58391672 SMTVLYDKWJXNJW-MSOLQXFVSA-N 310.397 2.433 0 40 DEAB CCCS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1 28263436 DMZGWRNSBCBCJQ-ZFWWWQNUSA-N 324.446 2.068 0 40 DEAB CCN(C)C(=O)C(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 95393034 QDSATFLUEZKOKX-UHFFFAOYSA-N 301.346 2.375 0 40 DEAB Cn1nnnc1SCCOc1ccc(Br)cc1 3361611 GVLXEJNOPHLJOB-UHFFFAOYSA-N 315.196 2.144 0 40 DEAB O=C(NCc1ccc(OC2CCCC2)nc1)Nc1cn[nH]c1 45929566 MLJMLWKPINTPFD-UHFFFAOYSA-N 301.350 2.448 0 40 DEAB CNC(=O)CN(C)CCOC(c1ccccc1)c1ccccc1 46062633 VJTAVDMRJYUXRA-UHFFFAOYSA-N 312.413 2.470 0 40 DEAB C[C@H]1CCCN(C(=O)COc2ccc3c(c2)CCC(=O)N3)C1 29510516 WSOXMEABTUMBSM-LBPRGKRZSA-N 302.374 2.209 0 40 DEAB Cc1ccc(CN(C)C(=O)c2cc3c([nH]c2=O)CCCC3=O)o1 29869671 GZQWZNIZODRSAD-UHFFFAOYSA-N 314.341 2.068 0 40 DEAB CCOC(=O)c1cnc(SC)nc1NCc1ccccn1 11907709 WZBDMGWFMYPBRV-UHFFFAOYSA-N 304.375 2.382 0 40 DEAB COC(=O)[C@H](O)C1CCN([C@H](C)c2ncc(C(C)(C)C)o2)CC1 95432416 UTRFCQDVPZDBND-BXUZGUMPSA-N 324.421 2.279 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1 72301138 RYINKVYNCCVWNX-CYBMUJFWSA-N 317.393 2.104 0 40 DEAB CC1(C)[C@@H](C(=O)Nc2ccc3oc(=O)ccc3c2)[C@H]1C(=O)O 71280441 OKAMFMVXEIERJY-OLZOCXBDSA-N 301.298 2.088 0 40 DEAB COc1cc2c(cc1[C@@H]1CC(=O)Nc3n[nH]cc31)OCCCO2 65388203 LZXDZQQTNVZWRA-VIFPVBQESA-N 315.329 2.054 0 40 DEAB COc1cccc(CNC(=O)N(C)C[C@H](C)c2nccs2)n1 96010879 WXHGJXJQCBQXMT-NSHDSACASA-N 320.418 2.492 0 40 DEAB COC(=O)c1cc(F)ccc1COC(=O)Cn1nc(C)cc1C 65522426 JDGQVXGBJNUHOR-UHFFFAOYSA-N 320.320 2.169 0 40 DEAB O[C@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccc(F)cc1F 72253346 MPVKSTNTUNHMKM-CZUORRHYSA-N 322.359 2.144 0 40 DEAB Cc1cnc(NC(=O)CCn2c(=O)n(C)c3ccccc32)s1 14350472 BLILUNPFGBCNAX-UHFFFAOYSA-N 316.386 2.134 0 40 DEAB CC[C@@H](C)N(C)CCNC(=O)c1csc(-c2cnn(C)c2)n1 66125089 SMBVPMAGOMMTHR-LLVKDONJSA-N 321.450 2.004 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@@H](c1cccc(C)c1)CC2=O 20800637 IEQYULJHSGIHLQ-GFCCVEGCSA-N 311.337 2.383 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 66313002 ONWMPGZHGMEESY-JQWIXIFHSA-N 320.345 2.034 0 40 DEAB CCCC[C@H](CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1 5793140 KOTGZMCWMFCJNW-ZDUSSCGKSA-N 312.435 2.167 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc3c(s1)CCC3)C2 72278877 OROKTCYJQCSPCW-LBPRGKRZSA-N 301.415 2.487 0 40 DEAB CC(C)c1csc([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3)C2)n1 72297234 WXLAYTDWQYDDKV-NWDGAFQWSA-N 321.446 2.251 0 40 DEAB O=C(NCc1n[nH]c(=S)n1C1CC1)c1noc2c1CCCC2 72273397 NUBMPECCNHRALH-UHFFFAOYSA-N 319.390 2.072 0 40 DEAB C[C@@H](Sc1nnc(N)s1)C(=O)N1CCc2ccccc21 7535852 KARCRPKCACFHDG-MRVPVSSYSA-N 306.416 2.190 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2c[nH]c3ccccc3c2=O)C1 71827112 VOZRSTKSGOCTNS-LBPRGKRZSA-N 300.358 2.169 0 40 DEAB CN(C)c1cc2c(nn1)CCN(C(=O)c1cc3ccccc3o1)C2 71860184 XQGYGQSVDMVPOZ-UHFFFAOYSA-N 322.368 2.487 0 40 DEAB CN1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)[C@@H](c2ccccc2)C1 71830462 ZEURHHFYAHFDAB-RCCFBDPRSA-N 324.428 2.039 0 40 DEAB COc1ccc(NC(=O)c2cc(OC)c3c(c2)OCCO3)cn1 8078019 ZUBBUMOAFUIIKW-UHFFFAOYSA-N 316.313 2.122 0 40 DEAB O=C(c1ccoc1)N1CCN(C(=O)c2cccc(F)c2)CC1 25229320 MMAZQCLPGSBQPR-UHFFFAOYSA-N 302.305 2.017 0 40 DEAB CCc1nnc(CN(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)o1 69492642 MXZCCLHIWAXCCN-LLVKDONJSA-N 323.418 2.229 0 40 DEAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1cccs1 69532504 QKTODWPVQHMSRH-MRXNPFEDSA-N 319.382 2.489 0 40 DEAB CCOC(=O)Nc1nnc(SCc2cnc(C)cn2)s1 69570583 FTEXWHDXHYBGAB-UHFFFAOYSA-N 311.392 2.497 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@H]1c1cccc(F)c1 69563146 GSDQIZXLPXEZFF-ZOBUZTSGSA-N 324.355 2.372 0 40 DEAB COCCN1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1 69738354 UPBOYUSZJCMYLY-AWEZNQCLSA-N 316.405 2.062 0 40 DEAB O=S(=O)(Cc1ccccc1C(F)(F)F)Nc1cnccn1 97103920 UFQOTCZMQWLBSL-UHFFFAOYSA-N 317.292 2.437 0 40 DEAB Cc1ccc(N2CCC[C@@H](N(C)CCc3ccncc3)C2)nn1 69815195 GZLSBJQENMHAJD-QGZVFWFLSA-N 311.433 2.323 0 40 DEAB CCOc1cccc(NC(=O)CCn2c(C)csc2=O)n1 95405797 RYQFZTHMKDRQLH-UHFFFAOYSA-N 307.375 2.041 0 40 DEAB CCN(CC)CC(=O)NC1(c2cccc(F)c2)CCOCC1 74171326 YHSFADSGEWVWLY-UHFFFAOYSA-N 308.397 2.289 0 40 DEAB COC(=O)c1cncc(NCc2cc(OC)ccc2OC)c1 95990280 BYTIFEKOTYQPHO-UHFFFAOYSA-N 302.330 2.498 0 40 DEAB C[C@@H](NC(=O)NC[C@H](O)C1CC1)c1cccc(-n2ccnc2)c1 74876380 KSDHWYAXCQAUQY-WBMJQRKESA-N 314.389 2.003 0 40 DEAB Cc1ccc(CNC(=O)c2ccc(-c3ccco3)[nH]c2=O)n1C 75125767 OOLWQXOJJOBHNZ-UHFFFAOYSA-N 311.341 2.212 0 40 DEAB C[C@@H](C1CC1)N(C)Cc1ccc(S(=O)(=O)N2CCCC2)o1 89894160 UCJAAJCWUBODRU-LBPRGKRZSA-N 312.435 2.294 0 40 DEAB CCN(Cc1ccc(Cl)cc1)C(=O)[C@H]1NCc2ncncc21 1553391308 AWRYFTLDWZJNSY-HNNXBMFYSA-N 316.792 2.323 0 40 DEAB CC(C)[C@@H]1OCCC[C@@H]1C(=O)NS(=O)(=O)c1ccsc1 408499698 NCPABQQHNPICDK-RYUDHWBXSA-N 317.432 2.004 0 40 DEAB CNC(=O)c1ccc([C@H]2CCCN(C(C)C)C2)nc1N(C)C 72352895 FALPXFKNNJQXJT-ZDUSSCGKSA-N 304.438 2.095 0 40 DEAB Cc1cccc(N2CCN(C(=O)CC3(O)CCCC3)[C@@H](C)C2)n1 73727001 ISGCTVDNWBNPKT-HNNXBMFYSA-N 317.433 2.122 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cc(C)ccc2OC)C1 39984868 RBBATYHNFSCAKZ-CQSZACIVSA-N 319.401 2.348 0 40 DEAB COCCC(=O)NC[C@@H]1CCCN(C)[C@H]1c1ccc(OC)cc1 79358322 AWGNOBHWBBSXCR-YJBOKZPZSA-N 320.433 2.231 0 40 DEAB CCn1cc([C@@H]2CSCCN2C(=O)c2nc(C)oc2C)cn1 564829869 GTIPQUDVPIQOSZ-ZDUSSCGKSA-N 320.418 2.438 0 40 DEAB CCN(CCN)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391795 DYVKLCUTQDBUJB-KRWDZBQOSA-N 319.449 2.316 0 40 DEAB C[C@H]1CN=C(N2CCN(C(=O)[C@H](C)c3cccs3)CC2)S1 73118014 NVUJOYDARGLULW-NWDGAFQWSA-N 323.487 2.487 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc21)[C@@H]1CCCN(C(=O)C2CC2)C1 79333654 BYLYUVAEPBXUSE-CVEARBPZSA-N 312.413 2.091 0 40 DEAB O=C([C@H]1CCCC[C@@H]1C(=O)N1CCCSCC1)N1CCCC1 78998944 DMTKTDZDHWAWAO-GJZGRUSLSA-N 324.490 2.381 0 40 DEAB COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(C)cc2)cc1OC 72227451 JRFZBBWKWWBKPV-IRXDYDNUSA-N 312.369 2.427 0 40 DEAB COCCO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217810226 ZZATXFCDROFZTC-ZDUSSCGKSA-N 318.247 2.469 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 62117491 SMTCXSRKPVIJAY-ZETCQYMHSA-N 316.126 2.135 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 62119151 DRRAMBGUILIUKH-ZETCQYMHSA-N 316.126 2.135 0 40 DEAB Cc1noc(C2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 41121803 MDJWRZBCOOGXDV-UHFFFAOYSA-N 315.329 2.127 0 40 DEAB CCCC(=O)N(Cc1cccc(OC)c1)[C@@H](CC)C(=O)NC 223415222 WOAFWWRGXGNWCS-HNNXBMFYSA-N 306.406 2.349 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)N1CCN([C@H]2CCOC2=O)CC1 96441559 XEOZATGLLCPSBE-WFASDCNBSA-N 308.809 2.334 0 40 DEAB COCc1cnc2n1CCN(C(=O)Cc1ccsc1)[C@@H]2C 96109552 WGEUDFWMWYFEDA-LLVKDONJSA-N 305.403 2.237 0 40 DEAB CCN(CC)[C@H]1CCN(C(=O)NCCc2ccc(C)nc2)C1 96440093 QHOUKCKSRSSUMV-INIZCTEOSA-N 304.438 2.058 0 40 DEAB Cc1cc(S(=O)(=O)NCC[C@@H]2CCCNC2)sc1C 97234963 DWXDSTZBMQICNF-LBPRGKRZSA-N 302.465 2.033 0 40 DEAB CC(C)OCCCNC(=O)NC[C@](C)(O)c1ccsc1 96419851 QKEQUKQWGJUZKR-AWEZNQCLSA-N 300.424 2.070 0 40 DEAB O=C(Nc1nncs1)N[C@@H]1CCCN(c2cccc(F)c2)C1 96407781 ADGDVQOVKFCPHQ-LLVKDONJSA-N 321.381 2.468 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCC2(CCN(C3CCC3)CC2)O1 96110000 GKZFHJUGUOHEEP-INIZCTEOSA-N 318.417 2.462 0 40 DEAB O=C(CCSc1ccccn1)N[C@@H]1c2ccccc2C[C@H]1O 98018976 OEWQGGCIZIERHP-RHSMWYFYSA-N 314.410 2.338 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 96440747 HWXXEQYWRFCYFF-ZNMIVQPWSA-N 324.808 2.253 0 40 DEAB COc1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 96229716 NESXWOHDLCVMPL-SFHVURJKSA-N 316.401 2.312 0 40 DEAB O=C(/C=C/c1ccncc1)NC[C@@]1(O)CCCc2ccccc21 96427028 KHBQHYJUCXLJBO-UCFODXPJSA-N 308.381 2.435 0 40 DEAB COc1c(C(=O)N2CCCC2)nnn1Cc1ccccc1Cl 96183601 GACXGZKPLWUUFX-UHFFFAOYSA-N 320.780 2.224 0 40 DEAB CN(C[C@H]1CCC[C@@H]1O)C(=O)NCCc1nc(C2CC2)cs1 95438126 SUESKGQZIVOVLP-OCCSQVGLSA-N 323.462 2.365 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3[nH]cnc3C)CC2)cn1 257246421 IUBHYRMUBJCROS-AWEZNQCLSA-N 314.437 2.395 0 40 DEAB Cc1ccc(Nc2nccc(C3CN(c4cnccn4)C3)n2)nc1 257332977 XZMYLTCYECJRCC-UHFFFAOYSA-N 319.372 2.317 0 40 DEAB CCn1ncc(CNCc2ccn(CC(F)(F)F)n2)c1F 256051467 JGUKERONGYIQAR-UHFFFAOYSA-N 305.279 2.091 0 40 DEAB Cc1nc(O)cc([C@@H]2COCCN2C(=O)CC2CCCCC2)n1 257252573 JVFYZWAWCDICTP-HNNXBMFYSA-N 319.405 2.361 0 40 DEAB COc1c(C)cc(C)cc1S(=O)(=O)NC(=O)c1ccoc1 252499900 SIKAJDYTOBFUFU-UHFFFAOYSA-N 309.343 2.024 0 40 DEAB Cc1c(CNC(=O)Nc2nc(C(C)(C)C)ns2)cnn1C 270624506 HQWXYYKATMYPNE-UHFFFAOYSA-N 308.411 2.199 0 40 DEAB O=C(N[C@@H]1CCN(C2CC2)C1)c1cccc(NC(=O)C2CC2)c1 57553147 SKQAPZPWXQMKAV-OAHLLOKOSA-N 313.401 2.002 0 40 DEAB OC[C@H]1CCCN(c2cc(NC[C@@H]3Cc4ccccc43)ncn2)C1 91454860 ZLKWBLRXOAULGD-HOCLYGCPSA-N 324.428 2.437 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)N2CCN(C(=O)C3CC3)CC2)[C@@H]1C 84691628 HZFYKCJLJWWMGF-UMVBOHGHSA-N 307.438 2.075 0 40 DEAB CC(=O)Nc1nc(C(=O)N2c3ccnn3[C@@H](C)C[C@@H]2C)cs1 78877030 HEUUYUKHRYGYTQ-IUCAKERBSA-N 319.390 2.298 0 40 DEAB O=C(NCc1cccs1)N1CCC(O)(C(F)(F)F)CC1 91531614 UKKJVWAWNNDZNX-UHFFFAOYSA-N 308.325 2.347 0 40 DEAB Cc1nn(CCO)c(C)c1C(=O)NCc1ccccc1Cl 95451395 POQITHWELNCXIX-UHFFFAOYSA-N 307.781 2.076 0 40 DEAB O=C(NCC1(O)CSCCSC1)Nc1cccs1 1888989780 GAPTZJKSYUZANQ-UHFFFAOYSA-N 304.462 2.081 0 40 DEAB Cc1nnc(SCC(=O)NC(=O)NC2CCCCC2)s1 5054041 DGVAUYLQEQJMKL-UHFFFAOYSA-N 314.436 2.097 0 40 DEAB CCc1nn(CC(=O)OC(C)C)c(=O)c2cc3sccc3n12 12115300 VJGBCZKVKCQDDG-UHFFFAOYSA-N 319.386 2.225 0 40 DEAB Cc1c(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cnn1C 14249963 SSNODHGJRKVXFN-UHFFFAOYSA-N 313.810 2.203 0 40 DEAB CCc1nnc(S/C(=C\c2ccc3c(c2)OCO3)C(=O)O)[nH]1 7342441 ADLMYLRRTXEFBK-WDZFZDKYSA-N 319.342 2.314 0 40 DEAB Cc1csc(C(=O)NCC2CCN([C@@H]3CCOC3)CC2)c1 575606827 MHEXQLXEPUYKBG-CQSZACIVSA-N 308.447 2.287 0 40 DEAB Cc1ccc(S(=O)(=O)NCCN2CCC(C)CC2)cc1F 40105108 IPDXGGUNBULDEC-UHFFFAOYSA-N 314.426 2.144 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3csc(C)n3)CC2)cn1 31261355 IAKLIWBJWJPKPK-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB CN(C)[C@H](CNC(=O)c1cc(C2CC2)[nH]n1)c1cccs1 40497455 RFKDSMVVWCTDTF-CYBMUJFWSA-N 304.419 2.381 0 40 DEAB Cc1cc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)no1 40477552 UFQZNBLFSAAPDA-AWEZNQCLSA-N 313.357 2.013 0 40 DEAB COc1ccc([C@H](CNC(=O)c2cccn2C)N(C)C)cc1 32668069 READXKMYYJGGDD-INIZCTEOSA-N 301.390 2.066 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 32729432 YTGDSBYBBLKKRM-AWEZNQCLSA-N 305.353 2.463 0 40 DEAB Cn1ccc(NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)n1 18949053 BHDBNVDLDUCPMR-UHFFFAOYSA-N 320.736 2.010 0 40 DEAB C[C@H](NC(=O)N1CCC2(C1)OCCO2)c1ccc(F)c(F)c1 76091545 VMVSZZCWEMTKQZ-JTQLQIEISA-N 312.316 2.184 0 40 DEAB C[C@H]1CN(C)c2ccccc2N(Cc2cc(=O)c(O)co2)C1 76040473 PZOHBXQUTODKGV-LBPRGKRZSA-N 300.358 2.438 0 40 DEAB CCc1ccc([C@H](COC)NC(=O)c2cc(C(N)=O)cs2)o1 76022850 KOPRQQZEFZNVLZ-NSHDSACASA-N 322.386 2.120 0 40 DEAB Cc1cc(C)nc(SCC(=O)NCCN2CCC(C)CC2)n1 47383782 RTIXTGFCGKYTDC-UHFFFAOYSA-N 322.478 2.034 0 40 DEAB Cc1nnc(SCC(=O)NC2CC2)n1CCc1ccccc1 1355842 XKXGIGUNUYFWPJ-UHFFFAOYSA-N 316.430 2.200 0 40 DEAB C[C@@H](CN1CCN(C)CC1)Nc1ccnc2cc(F)ccc12 78695697 JUIQQVHMYCTWTM-ZDUSSCGKSA-N 302.397 2.422 0 40 DEAB S=C(NCc1ccccn1)C(=S)NCc1ccccn1 1755500 QFEOJEIUNUYUJQ-UHFFFAOYSA-N 302.428 2.011 0 40 DEAB CC12CN3CC(C)(CN(C1)C3c1ccc3ccccc3n1)C2O 79188897 ZDTPATLSPXVVKR-UHFFFAOYSA-N 309.413 2.252 0 40 DEAB biogenic Cc1nc(CNC2CCN(C(=O)c3ccoc3)CC2)cs1 42209225 JWGYIAMJIOMFTN-UHFFFAOYSA-N 305.403 2.439 0 40 DEAB Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 72281997 XKRPZIZGVVUXRF-GFCCVEGCSA-N 317.393 2.255 0 40 DEAB O=C(N[C@H](CO)c1ccccc1)c1cnc([C@@H]2CCCO2)s1 97233047 XCRLQMFYRGGWIB-OLZOCXBDSA-N 318.398 2.458 0 40 DEAB CCS(=O)(=O)C[C@@H](C)NC[C@H](C)c1ccc(F)c(F)c1 97230758 BRNWWCRBFYQDFM-WDEREUQCSA-N 305.390 2.481 0 40 DEAB O[C@@H]1CCCN(C[C@@H](O)COc2cccc3ccccc23)C1 23709570 RJZHHRNFYKGDKQ-HZPDHXFCSA-N 301.386 2.036 0 40 DEAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cnccn1 55944097 LBEJQFJFIHZENZ-LSDHHAIUSA-N 301.321 2.266 0 40 DEAB CCCc1ccc(S(=O)(=O)Nc2ccc(=O)n(C)c2)cc1 57122829 YMDVNKXTLVPMGP-UHFFFAOYSA-N 306.387 2.139 0 40 DEAB CC(=O)c1csc(C(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)c1 97147435 DSDOITYRGJOTEC-CYBMUJFWSA-N 320.345 2.046 0 40 DEAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC1(CCO)CCOCC1 97143322 QULRIYFFARCVLU-CHWSQXEVSA-N 309.431 2.208 0 40 DEAB O=C1CCSc2ccc(C(=O)NC[C@@H]3CCCO3)cc2N1 27394035 BDJRUILPIBSMRC-NSHDSACASA-N 306.387 2.030 0 40 DEAB CCOc1cc(CNC(=O)CCCN2CCCCC2)ccn1 72301494 AQERBHYKLNJGCB-UHFFFAOYSA-N 305.422 2.363 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cncn2)nc1 28088216 CXTLGWFGLDHTRV-UHFFFAOYSA-N 318.340 2.325 0 40 DEAB COc1cc(CNCc2c(C(C)C)nn(C)c2OC)ccn1 58419994 UNQMJCCQILKVTC-UHFFFAOYSA-N 304.394 2.246 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN(CCc2ccncc2)C1 58419768 JXSJFJFKCQQJCR-AWEZNQCLSA-N 316.430 2.431 0 40 DEAB Cc1ccc(C(=O)NCC(=O)N2CCc3sccc3C2)cc1 10885615 SEKYORULMNPFIK-UHFFFAOYSA-N 314.410 2.371 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN(C(=O)c2ccco2)C1 12868346 ZEGIQUGDCWWSMO-SNVBAGLBSA-N 305.359 2.227 0 40 DEAB Cc1cc(CNC(=O)NC[C@H](c2cccs2)N(C)C)no1 60058909 QUZQZWRYUFZNGQ-GFCCVEGCSA-N 308.407 2.147 0 40 DEAB Clc1c[nH]ccc1=NCc1ccc(N2CCOCC2)nc1 350257732 WDAXAJRCBJUVEM-UHFFFAOYSA-N 304.781 2.001 0 40 DEAB CCCNC(=O)c1cc(S(=O)(=O)NC(C)C)ccc1Cl 12904587 UYJSIQJOXKUQJT-UHFFFAOYSA-N 318.826 2.167 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc(C(=O)N(C)C)cc1 12986740 PZCKNKWUKYZRBI-UHFFFAOYSA-N 301.346 2.174 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 13012558 YGQJKQUFUFKGNW-KGLIPLIRSA-N 302.330 2.251 0 40 DEAB Cc1csc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)n1 6084719 FVVDJXDLHHLBMW-UHFFFAOYSA-N 310.400 2.248 0 40 DEAB COC(=O)c1cc(OC(=O)C23CC4CC(CC(C4)C2)C3)nn1C 408559679 AWTURJIFUGCYQB-UHFFFAOYSA-N 318.373 2.329 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1ccccc1-n1cccn1 65474749 WCCUKERAOZUVQH-UHFFFAOYSA-N 324.432 2.270 0 40 DEAB Cc1ccc2nc(CN3C[C@@H](C)OC(C)(C)C3)cc(=O)n2c1 65427057 PMOMVAJEEKVALM-CYBMUJFWSA-N 301.390 2.002 0 40 DEAB COC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 65586991 ZBDXLWKWZNZTJV-VIFPVBQESA-N 304.375 2.329 0 40 DEAB CC[C@H](C)c1ccc(OCC(=O)Nc2nnn(CC)n2)cc1 4501756 OBSNZKJYOAUEEV-NSHDSACASA-N 303.366 2.224 0 40 DEAB CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCc2cnccc21 96008882 HCSRGHJTQOWGHE-HNNXBMFYSA-N 315.417 2.398 0 40 DEAB Cc1ccc(OCCN(C)c2ncnc3c2CN(C)CC3)cc1 65474770 ZHWVNLFTYDSHFZ-UHFFFAOYSA-N 312.417 2.288 0 40 DEAB CCN(CC(=O)NC(=O)NCc1ccco1)Cc1ccccc1 7437485 PHGKWWZCPNJOKO-UHFFFAOYSA-N 315.373 2.128 0 40 DEAB COC(=O)Cn1ccc(NC(=O)c2cc(SC)ccc2C)n1 67924806 QHLRFTWRWKGGMP-UHFFFAOYSA-N 319.386 2.339 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7608388 RWEAEEJKRCYUEE-BBRMVZONSA-N 318.398 2.282 0 40 DEAB O=C1CC[C@H](NC(=O)Nc2cc(-c3ccccc3)ns2)CN1 96447185 AOFNENBDRCBQSV-NSHDSACASA-N 316.386 2.210 0 40 DEAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)NCc1ncccc1C 83720359 XSJAUGXBJQEGMA-IEROGBPDSA-N 323.462 2.269 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NCCCOC[C@@H]1CCCO1 84022835 PIPFTXLWDJATSU-ZDUSSCGKSA-N 310.394 2.422 0 40 DEAB CN(CCC(=O)NC(N)=O)C1CCC(c2ccccc2)CC1 69489186 VRLQLMSNHJCBHI-UHFFFAOYSA-N 303.406 2.230 0 40 DEAB Cc1ccc(N2CCC[C@@H](N(C)Cc3cc(C)no3)C2)nn1 71859809 MIZGYQGSMKDHKZ-CQSZACIVSA-N 301.394 2.182 0 40 DEAB c1nc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)cs1 69536533 YUKXMIFCGVPUNR-GFCCVEGCSA-N 319.434 2.158 0 40 DEAB COc1nc(C(=O)N2CCN(C(C)C)CC2)cc2ccccc12 71830464 FNLHQXYLQDYKIQ-UHFFFAOYSA-N 313.401 2.410 0 40 DEAB c1ccc(-c2nnc(CN3CCC[C@H](Cn4cncn4)C3)o2)cc1 69625520 PXWSCYUYUCXXEX-AWEZNQCLSA-N 324.388 2.240 0 40 DEAB CCn1nnc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)ccc21 69708294 MBUSQCNIYVPBOE-HNNXBMFYSA-N 324.388 2.162 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cccn2C)CCO1 92018659 YJEYRGZMDRMQBP-DZGCQCFKSA-N 323.437 2.139 0 40 DEAB COC(=O)c1cccc2c1CCCN2CC(=O)NC1CCCC1 83897436 KEXOFFLDHCQQTA-UHFFFAOYSA-N 316.401 2.285 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)Nc2nc(C)cs2)c1 69841506 OBRIAGLJEZRAED-VXGBXAGGSA-N 307.423 2.134 0 40 DEAB CCCN(C)CCC(=O)N1CCN(c2cccc(Cl)n2)CC1 69893203 UTHOTHJVBXVOOJ-UHFFFAOYSA-N 324.856 2.116 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1cnc(-c3ccccc3)nc1)CC2 69969733 SFWFLAFPYFDQPD-MRXNPFEDSA-N 320.400 2.148 0 40 DEAB NC(=O)C[C@@H]1CCCCN1c1ccnc(Cc2ccccc2)n1 97379220 BKCDSMWRCUAMPY-HNNXBMFYSA-N 310.401 2.302 0 40 DEAB Cc1nc(CNc2ccccc2CN2CCNC2=O)oc1C 95464729 ARSAFCBBPKGPHE-UHFFFAOYSA-N 300.362 2.429 0 40 DEAB CCCn1nc(C)c(C(=O)N[C@H]2c3ccccc3C[C@H]2O)c1C 95447862 SKXPXCDAPVFSHB-WBVHZDCISA-N 313.401 2.298 0 40 DEAB CCn1cc(C(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)cn1 95448133 BYVYWUHBGXRADG-CYBMUJFWSA-N 311.744 2.159 0 40 DEAB CCOc1cccc([C@H](C)NCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 95984565 FKLIRHXAEBLLSP-ZNMIVQPWSA-N 320.433 2.372 0 40 DEAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2cnn(C)c2)cc1 95940159 HONMBWSAGKDHTJ-LLVKDONJSA-N 301.346 2.024 0 40 DEAB COc1cc(C(=O)Nc2cncnc2-n2cccn2)ccc1F 95991375 AWFPFXQEGMGDCA-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB O=C(c1c[nH]c2ncccc12)N1CCCC[C@H]1Cn1cccn1 75602037 PAFONBIFRNYYGO-ZDUSSCGKSA-N 309.373 2.454 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)CC1 22863640 YFJXJPMQFHEZTK-YESZJQIVSA-N 312.498 2.216 0 40 DEAB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3ccccc3)cc2)C1=O 408595181 VVVQWGMGCNYLEE-XNTDXEJSSA-N 322.320 2.331 0 40 DEAB O=C(c1cncnc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72368330 NGAJXOADGWWOCY-LBPRGKRZSA-N 307.357 2.373 0 40 DEAB CCOCCC(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O 189928365 CMLPDJBYLYLEFO-OAHLLOKOSA-N 318.417 2.260 0 40 DEAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1nnc[nH]1 72414454 UGJYKBOHPLDEJB-UHFFFAOYSA-N 324.406 2.436 0 40 DEAB COc1cccc2c1ccn2CCC(=O)N1CCc2nc[nH]c2C1 1565524904 WUYHLJYCOKHEFD-UHFFFAOYSA-N 324.384 2.348 0 40 DEAB Cc1cccc(C(=O)O)c1OCC(=O)NCCc1ccccc1 217720295 NLNMSJKGNKQXDZ-UHFFFAOYSA-N 313.353 2.431 0 40 DEAB Cc1cc2ncc(C(=O)N[C@H](C)c3ncccc3F)c(C)n2n1 521396397 UPLVMQKGCSOJPE-SNVBAGLBSA-N 313.336 2.371 0 40 DEAB CS[C@H](CNC(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1 78917402 SCXOTMOEGIJXRB-NWDGAFQWSA-N 312.822 2.139 0 40 DEAB O=C(O)CCN1CCCC[C@H]1C(=O)Nc1cc(F)cc(F)c1 225492235 ATRBBLYSMNHYDB-ZDUSSCGKSA-N 312.316 2.233 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)c1nnc2ccc(Cl)cc2n1 46088521 LOBWKSVWYWSXBH-UHFFFAOYSA-N 316.752 2.281 0 40 DEAB Cc1nccc(NC[C@H]2C[C@@H](C)N(C(=O)c3ccccn3)C2)n1 1068275143 GDRPPQLXWZXXRX-TZMCWYRMSA-N 311.389 2.143 0 40 DEAB CCC(F)(F)C(C)(C)CN[C@H]1CCc2nc(COC)nn2C1 527677036 XRQJJCCPZFZVKF-NSHDSACASA-N 316.396 2.400 0 40 DEAB Cc1cnc(NC(=O)c2cnc3scc(C)n3c2=O)s1 49547328 ROZSHQYDFQQZBO-UHFFFAOYSA-N 306.372 2.082 0 40 DEAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1 42646761 ZHUSLBMWMYFAEB-UHFFFAOYSA-N 313.357 2.124 0 40 DEAB CO[C@@H]1CCC[C@@H]1OC(=O)c1cn(Cc2cccc(F)c2)nn1 96468829 KKCYKEUVXBTRKV-CABCVRRESA-N 319.336 2.190 0 40 DEAB CC(C)n1cnc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)c1 95435872 KTTLSDSJNCOFAP-UHFFFAOYSA-N 323.300 2.007 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cccc(F)c2)C1 96419832 PAVBOKMMICUJHT-CHWSQXEVSA-N 314.382 2.303 0 40 DEAB COc1cccc(CC(=O)N2CC[C@]3(CCCN(C)C3)C2)c1 96215253 ZJJADAGCTKGAQP-SFHVURJKSA-N 302.418 2.182 0 40 DEAB O=C(NC[C@H]1CCOC1)N1CC[C@H](COCc2ccccc2)C1 96439447 RHXCYOHHVISNHS-SJORKVTESA-N 318.417 2.271 0 40 DEAB CSc1ccc(N2CCC(CCN3CCOCC3)CC2)nn1 96405944 WHJHJBSUMNTLNV-UHFFFAOYSA-N 322.478 2.137 0 40 DEAB O=C1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CN1 245289780 FBZBOQLQAWMECM-ULQDDVLXSA-N 314.429 2.430 0 40 DEAB CNc1nccnc1C[C@H]1CCCN(Cc2nccs2)C1 257329438 XJZQYLPKZPFSMT-GFCCVEGCSA-N 303.435 2.430 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccnc(O)n2)s1 257274314 NKLPVNPMYSSGEN-NSHDSACASA-N 304.375 2.233 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)c[nH]1 24766084 PGWHWXARSBNHOK-SECBINFHSA-N 304.375 2.013 0 40 DEAB O=C(O)C[C@@H]1CCCN1C(=O)c1cccnc1C(F)(F)F 262861037 FDKMNXRJERKBBC-QMMMGPOBSA-N 302.252 2.180 0 40 DEAB O=C(O)c1ccc(CCC(=O)N2CCOC3(CCC3)C2)cc1 263507938 BQLKTYJLEQMHRY-UHFFFAOYSA-N 303.358 2.099 0 40 DEAB O=C(Cc1ccsc1)N1CCC[C@@H](Oc2ncc(F)cn2)C1 575614244 XOSBSFLXTCJNMY-CYBMUJFWSA-N 321.377 2.290 0 40 DEAB O=C(N1CC2(C[C@@H](OCc3cccnc3)CS2)C1)C1(F)CC1 575403218 GPQULSGLLSGHKD-CYBMUJFWSA-N 322.405 2.187 0 40 DEAB O=C(Nc1ccc2n(c1=O)[C@@H](CO)CC2)OCc1ccccc1 142372893 LMENUGUAXKNTPL-CQSZACIVSA-N 314.341 2.077 0 40 DEAB CN1CC[C@@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 585102064 PSJQKQBOQHNPNS-CQSZACIVSA-N 313.323 2.411 0 40 DEAB Cc1cc(C(N)=O)c(NC(=O)[C@@H]2Cc3ccccc3O2)s1 72285438 JTEPWPCPHWUJKI-LBPRGKRZSA-N 302.355 2.098 0 40 DEAB O=C(Nc1cccc(OCCn2cncn2)c1)C1CCCC1 43246305 REWHKFBJXNKFFW-UHFFFAOYSA-N 300.362 2.486 0 40 DEAB CC[C@H](C)NC(=O)Nc1ccc(CCN2CCOCC2)cc1 56762795 JHVWKSMWLYSASG-AWEZNQCLSA-N 305.422 2.481 0 40 DEAB Cc1ccc(OCC2CCN(c3ccc4nccn4n3)CC2)nn1 1775985955 KTCYDXJTHMBASC-UHFFFAOYSA-N 324.388 2.123 0 40 DEAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3cscn3)c2)n1 76090578 GHTVPHVFKXLRDX-UHFFFAOYSA-N 313.338 2.421 0 40 DEAB Cc1ccc2c(c1)OCCN2Cc1c(C)nn(CCO)c1C 97143313 FYBDDSZINREMNM-UHFFFAOYSA-N 301.390 2.200 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CC[C@H](Oc2nccs2)C1 585320217 POJPLHGZJICTBG-NSHDSACASA-N 318.354 2.165 0 40 DEAB O=c1c(Cl)c(NC[C@@H]2CCOC2)cnn1-c1ccccc1 42106967 UYIVHUNEGAYKCY-NSHDSACASA-N 305.765 2.334 0 40 DEAB CCc1c(C)nc(SCC(=O)N2CCCC[C@@H]2C)[nH]c1=O 5021639 SZIJILNHDJJOJY-JTQLQIEISA-N 309.435 2.134 0 40 DEAB COc1ccc(-c2noc(C(=O)NCC(C)C)n2)cc1OC 12321570 UWBPKSVTHYDLCP-UHFFFAOYSA-N 305.334 2.140 0 40 DEAB COc1ccc(-c2cc(CNC(=O)C3CC3)no2)cc1OC 12638412 UZQQAEOANDYHEG-UHFFFAOYSA-N 302.330 2.385 0 40 DEAB CCCCOC(=O)c1ccc(N2C(=O)[C@H](C)NC2=S)cc1 15569374 GMQHVPZHJUJUCP-JTQLQIEISA-N 306.387 2.253 0 40 DEAB Cc1nc([C@H]2CCN(Cc3cccc(F)c3F)C2)cc(=O)[nH]1 19285263 JQOUXZSBWZDFLO-NSHDSACASA-N 305.328 2.346 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2cc3cccnc3c(=O)[nH]2)CC1 19462865 YEHNQLLDSYZVOX-FZMZJTMJSA-N 311.385 2.285 0 40 DEAB CC(C)(CNC(=O)Cn1cnc2ccccc21)N1CCCCC1 19657577 ZQUOENDHEPPFNU-UHFFFAOYSA-N 314.433 2.417 0 40 DEAB COc1cc(C)c(/C=C(/C#N)C(=O)NC(N)=O)cc1C(C)C 8333711 VXQNRWQHJOSNQF-SDQBBNPISA-N 301.346 2.229 0 40 DEAB Cn1ccnc1CN1CCC[C@H](Nc2ccc(Cl)cn2)C1=O 541191897 PFPYTRMBOBGVRN-LBPRGKRZSA-N 319.796 2.072 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 6328727 FEYGYHHPRVNCPO-DOMZBBRYSA-N 324.446 2.245 0 40 DEAB CC1(C)C[C@@H]1C(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223425 KTQPUKFGZUVFRX-PMPSAXMXSA-N 306.450 2.134 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)o1 1614940977 WQPTZWBTGLJCIZ-CQSZACIVSA-N 306.406 2.303 0 40 DEAB Cc1nc2ccccc2n(CC(=O)Nc2ccccc2F)c1=O 32951696 GMPKWGAWMWHAQB-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB O=S(=O)(NCC1(O)CCCC1)c1cccc2ccccc12 44448507 GEXVORYRLMPZCN-UHFFFAOYSA-N 305.399 2.423 0 40 DEAB Cc1cc(C)n(CC(=O)NC[C@H](C)N2CCc3ccccc32)n1 40074451 LFQKGVMLVGIXGQ-HNNXBMFYSA-N 312.417 2.067 0 40 DEAB CNC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 40476235 HQFRHHLMILEOKT-UHFFFAOYSA-N 322.718 2.215 0 40 DEAB CC(=O)CN1C(=O)N[C@@](C)(c2cccc(C(F)(F)F)c2)C1=O 40538748 JQTHROITAFSSRT-ZDUSSCGKSA-N 314.263 2.061 0 40 DEAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccnn2C)nc1C 31878389 RGYDRMSPEOGASI-AATRIKPKSA-N 320.374 2.014 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCC(CN3CCOCC3)CC2)n1 51959548 UCJULLUZBSBEKY-CQSZACIVSA-N 322.453 2.298 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)COCc1ccccc1Cl 52665499 DCKZIALSWMDZDY-LBPRGKRZSA-N 307.781 2.258 0 40 DEAB COCCOc1cccc(C(=O)NCCN2CCCC[C@H]2C)c1 53030826 AWPPXWYEVKPNMD-OAHLLOKOSA-N 320.433 2.316 0 40 DEAB CC[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCCC1 53025038 PMOCOBXBMCDJDH-SNVBAGLBSA-N 318.343 2.043 0 40 DEAB COCCn1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)n1 78540184 NLQVILMXSVICEE-SNVBAGLBSA-N 309.395 2.177 0 40 DEAB CN1CCO[C@@H](CNCc2ccc(Cl)c3cccnc23)C1 78783610 CUPNPRMSLXAWKQ-ZDUSSCGKSA-N 305.809 2.308 0 40 DEAB Cc1nc(CNC(=O)NC[C@@H](C)Cn2ccnc2C)sc1C 78952163 YTPBJGJGAYKRLR-SNVBAGLBSA-N 321.450 2.400 0 40 DEAB C[C@@H]1CN(CC(=O)NC2CCOCC2)c2ccccc2S1 79074772 ICSHVIMRTMMMHK-GFCCVEGCSA-N 306.431 2.282 0 40 DEAB CCN1CCN(C(=O)c2sc(-c3cccnc3)nc2C)CC1 22237556 GLWOYNRIMXDMQV-UHFFFAOYSA-N 316.430 2.291 0 40 DEAB CCN(CC)CCCN[C@H](C)C(=O)N1CCc2ccccc21 4969449 VPWUSGPSEIQECA-OAHLLOKOSA-N 303.450 2.286 0 40 DEAB CNS(=O)(=O)c1csc(C(=O)Nc2ccccc2C)c1 6681743 AAFOSCJOJWECGP-UHFFFAOYSA-N 310.400 2.217 0 40 DEAB O=C(CC(F)(F)F)NC1CCN(Cc2ccccn2)CC1 53991042 KUMMRDNBVKRIOI-UHFFFAOYSA-N 301.312 2.115 0 40 DEAB Cc1cccc(-n2nnc(C(=O)Nc3ncccc3O)c2C)c1 54130982 JLKWZFLOWGTGJF-UHFFFAOYSA-N 309.329 2.237 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccc(OC[C@H]2CCCO2)cc1 23651122 WVZRQBSIMNGCIU-UPTRSRDDSA-N 318.398 2.386 0 40 DEAB O=C(NOCc1ccccc1)c1cn(Cc2ccccc2)nn1 25039240 WUKINHDDBAWIDF-UHFFFAOYSA-N 308.341 2.188 0 40 DEAB NC(=O)c1ccn(-c2ccccc2NC(=O)[C@H]2CC=CCC2)n1 72283520 ILEGXAURLFFACJ-LBPRGKRZSA-N 310.357 2.266 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100184482 OBGUHHIBCDQXFQ-ANBFAKJFSA-N 323.348 2.031 0 40 DEAB CCN(CC)c1ccc(CNC(=O)[C@@H](C)n2cccn2)cn1 48277019 AGDNBAIIAVQGHU-CYBMUJFWSA-N 301.394 2.002 0 40 DEAB CCCCOc1ncccc1CNC(=O)Nc1nncs1 58065041 IGPCGCQRWAKITI-UHFFFAOYSA-N 307.379 2.434 0 40 DEAB COC(=O)[C@H](CC(C)C)NCC(=O)Nc1cc(C)ccc1OC 58165444 OCJKOLBMRGELKT-AWEZNQCLSA-N 322.405 2.119 0 40 DEAB CON(C)C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 44847998 OMLOFRVJUCDOPX-AWEZNQCLSA-N 304.390 2.175 0 40 DEAB Cc1noc(C)c1CN(C)Cn1nc(-c2ccccc2)oc1=O 44933791 USYQUILPRAOMQZ-UHFFFAOYSA-N 314.345 2.198 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccc(N3CCCCC3)nc2)CCO1 44968651 MBSYICVFXNVZPT-AWEZNQCLSA-N 318.421 2.002 0 40 DEAB COc1c(CNCc2ccc(N(C)C)nc2)c(C(C)C)nn1C 58404276 JINMONJWJIINFT-UHFFFAOYSA-N 317.437 2.303 0 40 DEAB CCN(CCCN1C(=O)N[C@@](C)(C(C)C)C1=O)CC(F)(F)F 97163191 YHRJBRFOBOFHDI-ZDUSSCGKSA-N 323.359 2.227 0 40 DEAB CCn1cc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cn1 28231577 KFPIDILQOIRFPN-NSHDSACASA-N 303.362 2.411 0 40 DEAB O=C(CCCc1ccccc1)N1CCN(Cc2cc[nH]n2)CC1 92755285 WUQWMZYBGHVPHS-UHFFFAOYSA-N 312.417 2.077 0 40 DEAB CC(C)(C)C(=O)Nc1ccc2[nH]c(CN3CCOCC3)nc2c1 60061186 JIZPDDRKWAXNQN-UHFFFAOYSA-N 316.405 2.380 0 40 DEAB CCn1cnnc1CNCc1cnn(-c2ccc(Cl)cc2)c1 48713980 LDSITVXEYWLYGX-UHFFFAOYSA-N 316.796 2.427 0 40 DEAB COc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21 5079095 WFSFSTRUHLEYIW-UHFFFAOYSA-N 311.337 2.441 0 40 DEAB Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)OCCO2 5165014 NBYZXJNMGRLEDE-MRXNPFEDSA-N 316.401 2.349 0 40 DEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnnn1C 5445693 AHVAMHQJUQSCIK-GRYCIOLGSA-N 312.439 2.306 0 40 DEAB O=C(C[C@@H]1CCCN1C(=O)N1CCOCC1)c1ccc(F)cc1 96000337 PAZYAJOJRCHLHE-HNNXBMFYSA-N 320.364 2.315 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4664623 JUPLTXLFKCSXMZ-ZOWXZIJZSA-N 308.403 2.112 0 40 DEAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15598515 DTCOJLNTSXDNFJ-VIFPVBQESA-N 315.304 2.401 0 40 DEAB CCO[C@@H]1CCCN(C(=O)NCCc2nc3ccccc3[nH]2)C1 67602920 IQKAKRLGHRUTCS-CYBMUJFWSA-N 316.405 2.316 0 40 DEAB COc1ccc(NC(=O)CSc2ncnc3nc[nH]c23)cc1 7344067 YPUXKCTVHDFJJK-UHFFFAOYSA-N 315.358 2.092 0 40 DEAB O=C(CN(C(=O)[C@@H]1CCOC1)c1ccccc1)N1CCCCC1 71894265 DTQHIXKMHBSTHL-OAHLLOKOSA-N 316.401 2.069 0 40 DEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@@H](n2ccnc2)C1 69654746 UTDLNSXQRQDNSH-CYBMUJFWSA-N 323.352 2.467 0 40 DEAB CC(C)Oc1cccc(/C=C/C(=O)N2CCC[C@@H](C(N)=O)C2)c1 69705721 SDWGHXVIBSJRDQ-XVJNWHFHSA-N 316.401 2.211 0 40 DEAB Cc1nccn1[C@H]1CCCN(C(=O)CCc2cscn2)C1 69840944 PJMSAPOCVIEHJP-AWEZNQCLSA-N 304.419 2.444 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1-n1nnnc1C 69896506 NCEJBEKJSLPOIV-GFCCVEGCSA-N 313.361 2.274 0 40 DEAB CCCC(=O)N1CCCC[C@@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 71999859 PNORSTYFYAATJQ-CQSZACIVSA-N 314.389 2.105 0 40 DEAB CC(C)(C)n1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)cn1 95947196 UPKRSLLJPKYTFF-CYBMUJFWSA-N 301.346 2.194 0 40 DEAB CC(C)[C@@H](NC(=O)c1cc(Cl)ccc1OC(F)F)C(N)=O 75093886 NSDCCEGXLVRQFL-SNVBAGLBSA-N 320.723 2.181 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)/C=C/c1ccc(Br)o1 89937721 ZRLNNPMCWPVLFF-DFVUYQKZSA-N 313.195 2.218 0 40 DEAB CCS(=O)(=O)N1c2ccc(C(=O)NC(C)(C)C)cc2C[C@@H]1C 20448852 GPFMQLMWGSIFAP-NSHDSACASA-N 324.446 2.316 0 40 DEAB O=C(O)c1cn([C@@H]2C[C@@H]2F)c2c(F)c(F)c(F)cc2c1=O 34169511 XCRXEUPAGNYDKC-POYBYMJQSA-N 301.195 2.400 0 40 DEAB CC(C)(C)C(C)(C)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 521394276 MZHGBUKJDSRNEB-AWEZNQCLSA-N 321.417 2.279 0 40 DEAB Cc1cccc(C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 72364426 HIKMEPYYBIHANP-UHFFFAOYSA-N 317.414 2.353 0 40 DEAB CCN(CCN)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391784 RVHXEKFSPXOJTR-MRXNPFEDSA-N 305.422 2.068 0 40 DEAB O=C(Nc1cnns1)[C@@H]1CCCN1Cc1ccc(F)cc1 189596396 KVJOTEKPFNZZNX-LBPRGKRZSA-N 306.366 2.280 0 40 DEAB CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1Cc1ccccc1C(=O)O 568064579 IVWMHMPAKHEHPN-BRWVUGGUSA-N 319.401 2.401 0 40 DEAB CC(C)N(CCO)Cc1ccccc1I 79420685 CWOWXQDXDFYHTD-UHFFFAOYSA-N 319.186 2.494 0 40 DEAB CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 40556078 ACWQDCNKGCKRJD-CYBMUJFWSA-N 318.373 2.187 0 40 DEAB CO[C@@H](C)c1cccc(NC(=O)N(CCO)CC(F)F)c1 193947741 FODALKHSGZLWKD-JTQLQIEISA-N 302.321 2.485 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c1 226629126 MDTWGIKGLITWIA-NWHWRWDZSA-N 323.348 2.169 0 40 DEAB COc1cc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)ncn1 83321046 FJGSNUICSINITM-LLVKDONJSA-N 308.382 2.297 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCCc2ccccn2)cc1Cl 42646149 MKPDJXCGVPLYEJ-UHFFFAOYSA-N 317.776 2.341 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](C)[C@@H]2C(=O)OC(C)(C)C)ncn1 573558703 TUFFONOJQNPREC-SMDDNHRTSA-N 319.405 2.367 0 40 DEAB COc1ccc(CCCN[C@H]2CCc3nc(C)nn3C2)cc1F 195573287 PJGJHRPPXXHREX-AWEZNQCLSA-N 318.396 2.271 0 40 DEAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)Cc1ccccc1 96184286 AINPWNHTWKGBPX-DLBZAZTESA-N 322.474 2.321 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1ccccn1)CC2 96197776 AEXZVOVYIMSFRW-KRWDZBQOSA-N 312.417 2.341 0 40 DEAB Cc1noc(C)c1CS[C@H]1CCCN(c2cnn(C)c2)C1=O 96433398 DTSVIEXEMFJAEM-AWEZNQCLSA-N 320.418 2.454 0 40 DEAB CC(C)(C)[C@@H](CCO)NC(=O)N[C@H]1COc2ccccc2C1 97100672 BCOCZAYIMRSXEY-UKRRQHHQSA-N 306.406 2.086 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)CCC(=O)O)cc2)n1 97231836 FAFLFOLKWVHCHZ-LLVKDONJSA-N 315.373 2.472 0 40 DEAB CC(C)c1nc(CN[C@H](C)c2nnnn2-c2ccccc2)no1 97374527 POMKDYHZKWSLMH-LLVKDONJSA-N 313.365 2.020 0 40 DEAB COC[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)Cc2nccn2C1 96187768 GLGXGTORBWVFRF-CYBMUJFWSA-N 324.384 2.283 0 40 DEAB Cn1cccc1CN1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 96161775 VNNVZZXXSHYVQJ-GASCZTMLSA-N 315.442 2.291 0 40 DEAB Cn1cnc(CNC(=O)c2ccc(Cc3ccccc3F)nc2)c1 257238340 HKNHDRGJYXJYSL-UHFFFAOYSA-N 324.359 2.475 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)N1C[C@H](OC)[C@]2(CCCO2)C1 257278145 OAZUETVWKABONX-RDJZCZTQSA-N 321.421 2.046 0 40 DEAB C[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1cccs1 24831860 OFEXNOLIWQYVLT-NSHDSACASA-N 313.382 2.335 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CC[C@H](n2cc(C3CC3)nn2)C1 253472367 LXEFRMRUNGHOHN-ZDUSSCGKSA-N 322.372 2.119 0 40 DEAB Nc1cc(N2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)ncn1 257298553 RMFLPQIIOFJPGT-CQSZACIVSA-N 323.400 2.236 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575404554 NMYGNZZXYKAYAP-ZDUSSCGKSA-N 320.364 2.160 0 40 DEAB CCc1nnc2n1CCN(C(=O)Cn1c(C)cc3ccccc31)C2 71864840 VNJGZLNOCBIPPQ-UHFFFAOYSA-N 323.400 2.146 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 48368873 AQFBZPPUNHZXDO-VXGBXAGGSA-N 307.419 2.202 0 40 DEAB CCCCc1noc(CNc2cc(-n3cnnn3)ccc2C)n1 58147218 XYTRNKBMCKYMNT-UHFFFAOYSA-N 313.365 2.308 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCOCC1)[C@@H]1CC=CCC1 75166796 CKQIKQFPEBLDBW-CABCVRRESA-N 304.390 2.125 0 40 DEAB O=C(NCc1nc(CCCc2ccccc2)no1)NC1CC1 78774586 WJOUXLHZORUXKE-UHFFFAOYSA-N 300.362 2.207 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)Nc1nc(-c2cccn2C)cs1 89938236 OVLCASSUIKJLBX-NSHDSACASA-N 319.434 2.316 0 40 DEAB CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(OC)ccn1 89981800 JUYPCMZPZMZJGQ-CYBMUJFWSA-N 305.378 2.210 0 40 DEAB CC(C)[C@H](N)C(=O)NC[C@H]1CCCCN1Cc1ccccc1 79404626 ZKMFFZAVIGRELK-SJORKVTESA-N 303.450 2.141 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 5945570 CZQDHPQTMYYWFI-MMDVMMEASA-N 317.341 2.143 0 40 DEAB CC(C)n1c(=O)n(CC(=O)NCc2ccccc2)c2cccnc21 12117504 MYFLECXBGLXNDM-UHFFFAOYSA-N 324.384 2.095 0 40 DEAB CCOC[C@H]1CN(C(=O)NC2CCC(C(F)F)CC2)CCO1 528006459 AUHCXAGGCJEXBU-WXRRBKDZSA-N 320.380 2.257 0 40 DEAB C[C@@H](c1ccccc1)[C@H](NCc1ncccc1Cl)C(N)=O 528510322 WZECQBDXGNEPIX-NHYWBVRUSA-N 303.793 2.482 0 40 DEAB CC(=O)NC1(c2ccccc2F)CCN(C[C@H]2CCCO2)CC1 12219473 KTKDWOCDJRKASS-OAHLLOKOSA-N 320.408 2.432 0 40 DEAB Cn1nc2c(c1CNC(=O)c1ccc(F)c(F)c1F)CCC2 225817160 HOVSQXNFHLPGNK-UHFFFAOYSA-N 309.291 2.256 0 40 DEAB COCc1nc([C@H]2CC[C@@H](O)[C@H](NC(C)C)C2)n(C(C)C)n1 2332241513 BSIWDTUCSXERCT-BFHYXJOUSA-N 310.442 2.000 0 40 DEAB COC(=O)c1sccc1NC(=O)CSc1nncs1 10417197 AOFRUHVAWCMZAJ-UHFFFAOYSA-N 315.401 2.117 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H](C)N2CCc3ccccc32)s1 40103477 XQDZEIDTPLGFED-SNVBAGLBSA-N 317.418 2.419 0 40 DEAB O=C(CCNC(=O)c1ccco1)Nc1ccnn1C1CCCC1 40463291 GOIKPGNOJNGGQW-UHFFFAOYSA-N 316.361 2.350 0 40 DEAB CS[C@H](C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 40553206 ROLNKXMZCDGSME-SDDRHHMPSA-N 309.435 2.385 0 40 DEAB C[C@@H](C(=O)O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1 51660208 HSLNDLNYTMEBQA-NSHDSACASA-N 311.451 2.031 0 40 DEAB CCn1cnnc1CNC(=O)N[C@H](C)Cc1cccc(Cl)c1 41369698 SZIYMIFFNBAPPB-LLVKDONJSA-N 321.812 2.382 0 40 DEAB CCOCCCNC(=O)[C@@](C)(O)c1cccc(C(F)(F)F)c1 69970354 HIQVTSVYDSHSOD-AWEZNQCLSA-N 319.323 2.456 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN(C(C)C)C2)cc1 69923754 SZUBPEUBIWNOMV-YXMGTMDOSA-N 316.401 2.085 0 40 DEAB O=C(CCOCC(F)(F)F)N1CCCC[C@H]1Cn1cccn1 69976767 SUEYNTQYLADUQE-LBPRGKRZSA-N 319.327 2.233 0 40 DEAB O=C(O)[C@@H](NC[C@@H]1CCCO1)c1cc(Br)cs1 41678017 IJZVBCVKIOLBRT-WPRPVWTQSA-N 320.208 2.405 0 40 DEAB in-vitro Cc1ccc([C@H](O)c2nnc([C@@H](O)c3ccc(C)cc3)nn2)cc1 1716022 YRTDNQDWZVODPH-HOTGVXAUSA-N 322.368 2.047 0 40 DEAB CCN(CC)C[C@H](C)NC(=O)CCn1nc(C)c(Cl)c1C 2781812 KENSMHUZZBQAHO-NSHDSACASA-N 314.861 2.390 0 40 DEAB CCc1ccccc1OCC(=O)Nc1ccc(=O)n(CC)c1 47181447 UXQSIRGGAWJZQN-UHFFFAOYSA-N 300.358 2.448 0 40 DEAB COc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cn1 61310866 UXWZLHRIRYCVEI-CYBMUJFWSA-N 305.309 2.084 0 40 DEAB O=Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 7928687 FLNNVDYAXIKLRY-CQSZACIVSA-N 309.321 2.458 0 40 DEAB COc1cccc(N(C)S(=O)(=O)c2cc(F)ccc2F)n1 54534452 DRBURFVQUYOXTC-UHFFFAOYSA-N 314.313 2.194 0 40 DEAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCO2 10890232 ZLGNFCUUDFQSMX-HTQZYQBOSA-N 311.721 2.206 0 40 DEAB CC[C@H](C)NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1 8037268 XPLQXEDNDZGAQU-NSHDSACASA-N 311.813 2.125 0 40 DEAB Cc1ccccc1OCCN(C)S(=O)(=O)c1cccnc1 47671329 ZKSDNVPWEOTTNO-UHFFFAOYSA-N 306.387 2.090 0 40 DEAB Cc1nc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cs1 71833085 MOECIPIXBXFCDS-UHFFFAOYSA-N 317.418 2.009 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCCN(C(N)=O)C1)c1ccc(Cl)s1 25275841 QNYZRLMBIMSGIR-BDAKNGLRSA-N 315.826 2.369 0 40 DEAB O=C(Cc1cccs1)NC[C@H]1CN(c2ccccc2)C(=O)O1 9068223 ONXQCXLCGVDBJU-ZDUSSCGKSA-N 316.382 2.432 0 40 DEAB CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 55822102 QPRJYMXCLWCLLC-OAHLLOKOSA-N 307.415 2.204 0 40 DEAB CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](C(C)C)N1CCCC1=O 107150109 SQCOKGUQFVOTCN-NFAWXSAZSA-N 312.479 2.424 0 40 DEAB CCN(CC)C(=O)COC(=O)c1c[nH]nc1-c1ccccc1 12520618 GMTLLYLAQXCELJ-UHFFFAOYSA-N 301.346 2.102 0 40 DEAB COc1ccc(-c2nn(CN(C)OC)c(=S)o2)cc1OC 47982776 HNSCMHPKAKFXST-UHFFFAOYSA-N 311.363 2.340 0 40 DEAB COc1ccccc1NC(=O)CNc1ccc(C(=O)O)cc1 3207918 CXAMVWZDVNZJLC-UHFFFAOYSA-N 300.314 2.444 0 40 DEAB CCCNC(=O)CN(CCC)C(=O)c1ccc(NC(C)=O)cc1 44979162 PVSGYPAAPJPHLK-UHFFFAOYSA-N 319.405 2.023 0 40 DEAB CCNC(=O)c1cccc(NC(=O)[C@H](C)OCC(F)(F)F)c1 36391835 NAGCPMPKKOTOIU-VIFPVBQESA-N 318.295 2.342 0 40 DEAB COc1ccc(OCCSc2nc3c(c(=O)[nH]2)CCC3)cc1 11905495 KBUMVLDKTBNCAF-UHFFFAOYSA-N 318.398 2.438 0 40 DEAB Cc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1 3435744 YYGZRRVPBRZJLB-UHFFFAOYSA-N 305.374 2.366 0 40 DEAB O=C(NC1=NCCS1)c1nn(-c2ccccc2)c2c1CCC2 13006627 INQXLXWRGVENRK-UHFFFAOYSA-N 312.398 2.194 0 40 DEAB COC(=O)CCn1cnc2c(Cl)cc(Cl)cc2c1=O 8940575 DSXOQXMNIOZJED-UHFFFAOYSA-N 301.129 2.266 0 40 DEAB CS(=O)(=O)c1nccn1CCOc1ccc(F)cc1Cl 93904236 CATXXBFVGYFMEQ-UHFFFAOYSA-N 318.757 2.158 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)OCc1ccccc1 39650303 BEIPCYKSYYZEJH-KBPBESRZSA-N 321.373 2.100 0 40 DEAB OC[C@@]1(NCc2ncn(-c3ccccc3)n2)CCc2ccccc21 92806187 ITXPAXOVDPDAJQ-IBGZPJMESA-N 320.396 2.191 0 40 DEAB O=C(Nc1cnc(C2CC2)nc1)N1CC[C@@H](CN2CCCC2)C1 96491433 CKUWLLJEVZFIHD-ZDUSSCGKSA-N 315.421 2.304 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(-c2ccco2)[nH]c1=O 65459247 ZCNFKTLBSXOVSP-GFCCVEGCSA-N 316.357 2.134 0 40 DEAB CCCc1cc(N[C@@H](CO)Cc2ccccc2)n2ncnc2n1 65565313 GDPIQSNAFMSLTA-OAHLLOKOSA-N 311.389 2.092 0 40 DEAB NC(=O)CN(C(=O)[C@H]1CCCc2ccccc21)C1CCCC1 65537060 RBSXIJAJXYWFFJ-INIZCTEOSA-N 300.402 2.363 0 40 DEAB Cc1cc(NC(=O)C(=O)NCC2(N(C)C)CCCC2)ccc1F 65593116 CWWQYDCOXMFISL-UHFFFAOYSA-N 321.396 2.063 0 40 DEAB O=C(CN1CCSC1=O)NCCCCOc1ccccc1 14701664 NGDILNIOODVZJX-UHFFFAOYSA-N 308.403 2.131 0 40 DEAB COCCCN(C)C(=O)Nc1ccccc1Cn1cccn1 66963791 ODPMDODHJCBLHT-UHFFFAOYSA-N 302.378 2.432 0 40 DEAB Cn1ccnc1SCC(=O)N1N=CC[C@H]1c1ccccc1 4945101 XXGVFQWDVUTSBR-ZDUSSCGKSA-N 300.387 2.472 0 40 DEAB O=C(c1cnccn1)N1CCN(c2ccc(Cl)cc2)CC1 5936523 JEJAQOOHWSCQBT-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NC1CCCCC1 7127234 JVUZTZPZUFITIQ-UHFFFAOYSA-N 321.421 2.080 0 40 DEAB Nn1c(SCc2nc3ccccc3o2)nnc1-c1ccccn1 70040401 RSUZNKUDWHQQQI-UHFFFAOYSA-N 324.369 2.487 0 40 DEAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nncn2C)c1C 8314482 AJSSGHPYHYYFRZ-NSHDSACASA-N 322.434 2.416 0 40 DEAB C[C@@H](C(=O)N1CCN2CCCC[C@@H]2C1)n1cnc2ccccc21 71841785 WDHSSYDYODTBJW-LSDHHAIUSA-N 312.417 2.294 0 40 DEAB COc1ccc(-c2nc(CNC(=O)c3ccc(C)nc3)n[nH]2)cc1 69744266 SQAGNXMYBHVZTI-UHFFFAOYSA-N 323.356 2.114 0 40 DEAB NC(=O)N1CC[C@@H](NC(=O)CCc2ccc3ccccc3c2)C1 69840407 XEQALWQMJLDAHD-MRXNPFEDSA-N 311.385 2.042 0 40 DEAB COc1ccc(OCCN(C)Cc2ccc(C(N)=O)cc2)cc1 9690489 VWYDNHNIVLBISM-UHFFFAOYSA-N 314.385 2.305 0 40 DEAB COc1cccc(Cl)c1CC(=O)N[C@@H](C)c1noc(C)n1 97378960 UCPLCHGSIKGMKE-QMMMGPOBSA-N 309.753 2.460 0 40 DEAB CO[C@H]1CCCC[C@H]1OC(=O)c1ccc(-n2cnnn2)c(C)c1 84101551 RRSYZCSYFIATEB-LSDHHAIUSA-N 316.361 2.085 0 40 DEAB CC(C)c1cc(C(=O)NCCc2cccc(C(=O)O)c2)nn1C 97039251 UJVMQDSXSKKXSE-UHFFFAOYSA-N 315.373 2.214 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3ccccn3)C2)n1 72235580 AUEHQWMBAQGDPB-MRXNPFEDSA-N 313.405 2.086 0 40 DEAB COc1ccc([C@@H](O)CNC(=O)C[C@H](C)n2cccc2)cc1 95350912 JCXRIMLONJLCBQ-BBRMVZONSA-N 302.374 2.298 0 40 DEAB Cn1ncnc1NC(=O)Nc1cc(Cl)c(O)c(Cl)c1 97103414 SKVOHBIZUURRNC-UHFFFAOYSA-N 302.121 2.472 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCC[C@H](O)C1 97162045 IUQGYAKGERPISS-CABCVRRESA-N 318.417 2.281 0 40 DEAB Cc1cccc(-n2cc(C(=O)OCc3cncs3)nn2)c1 97138938 JWDOLVNBZHMCCR-UHFFFAOYSA-N 300.343 2.389 0 40 DEAB Cc1noc(C)c1CCCNC(=O)N1CCC[C@@H]1C(C)(C)O 95939451 CXAAFDCNYCXKSK-CQSZACIVSA-N 309.410 2.169 0 40 DEAB OCC1CCN(Cc2ccccc2NCc2cnc[nH]2)CC1 86257961 COSMQTNXMIVJJL-UHFFFAOYSA-N 300.406 2.226 0 40 DEAB Cc1cc2ncn(CC(=O)N(C)Cc3cnn(C)c3)c2cc1C 75092277 YFFNVNHMXMNQBR-UHFFFAOYSA-N 311.389 2.045 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)Nc1nc(C(F)(F)F)cs1 89938223 ARUAOEKCIXTMAU-ZETCQYMHSA-N 308.329 2.330 0 40 DEAB COc1ccc(NCC(=O)Nc2cc(C)nn2C)cc1Cl 75572153 GJBVWOZYAWSLGX-UHFFFAOYSA-N 308.769 2.441 0 40 DEAB Cc1noc(C)c1CN1CC[C@@H]2[C@H]1CCN2CC1CCOCC1 306131167 JYBBKNRVHOJWIE-QZTJIDSGSA-N 319.449 2.367 0 40 DEAB CCOC(=O)c1cc(C(=O)OCC)n(CCC(F)(F)F)n1 408717833 WPTNJCYRVYNHBT-UHFFFAOYSA-N 308.256 2.189 0 40 DEAB CCCC(CCC(=O)OCC)(C(=O)OCC)C(=O)OCC 22057398 BJVXPLMKKPKWHH-UHFFFAOYSA-N 302.367 2.242 0 40 DEAB in-vitro CN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1 20744869 VCYBCQMLRFRPAX-YPMHNXCESA-N 301.371 2.301 0 40 DEAB O=C(NCc1ccccn1)C1CCN(C(=O)c2ccccc2)CC1 36171513 NVGYSHHDVLWPIA-UHFFFAOYSA-N 323.396 2.250 0 40 DEAB COC1CCC(CCNC(=O)N2C[C@H](N)C3(CCC3)C2)CC1 1553470454 JFYHUIYRFOSLNJ-NRXISQOPSA-N 309.454 2.105 0 40 DEAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)Cc2ccccc2O)C1 78245945 QKJUZRMGZYCQQS-RXSFTSLZSA-N 309.431 2.131 0 40 DEAB CCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCC(C)C 217412202 YVHMJCQPOARHLT-UHFFFAOYSA-N 314.407 2.141 0 40 DEAB COc1ccc(N[C@H](C)C(=O)Nc2ccnn2C(C)C)cn1 79029517 GEDGLXDCVYUHOJ-LLVKDONJSA-N 303.366 2.307 0 40 DEAB O=C(CCCn1cncn1)Nc1ccccc1CN1CCCC1 79043720 YFNPFWMJNPZAHX-UHFFFAOYSA-N 313.405 2.293 0 40 DEAB COc1cc(OC)cc(C(=O)NC[C@@H](O)Cc2ccccc2)c1 70639237 DQRGGXTXXGCZJA-HNNXBMFYSA-N 315.369 2.037 0 40 DEAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCOC)c1 225283878 PHNAZDHDLQANSD-UHFFFAOYSA-N 310.419 2.495 0 40 DEAB C[C@@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)OCCO2 49580907 ZCKZRHHXMFGZOS-GFCCVEGCSA-N 316.357 2.018 0 40 DEAB CCn1nc(C)cc1CNC(=O)/C=C/c1ccc2c(c1)OCO2 226746773 WOPQHRGYMNPXDP-FNORWQNLSA-N 313.357 2.270 0 40 DEAB Cc1n[nH]c2c1[C@@H](c1ccc3c(c1)OCCO3)SCC(=O)N2 44890097 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307.458 2.283 0 40 DEAB O=C1CC2(CCN(CC3CC3)CC2)Nc2ccccc2CCN1 2037985340 GRKSWDFKKNGJFR-UHFFFAOYSA-N 313.445 2.406 0 40 DEAB Cc1cc(C(=O)NC[C@@H](c2ccoc2)N2CCSCC2)no1 253394092 ADHMTBWDNWIWNC-AWEZNQCLSA-N 321.402 2.096 0 40 DEAB CN(c1ccccc1C(=O)Nc1ccc(F)cc1)S(C)(=O)=O 361671 ZXRMBGWOSKNVPK-UHFFFAOYSA-N 322.361 2.474 0 40 DEAB O=C(O)CC[C@@H]1CCCN(S(=O)(=O)c2ccccc2F)C1 43584791 QPRPPYMPSAPZMG-NSHDSACASA-N 315.366 2.091 0 40 DEAB C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12 96485335 SACFVUHOKVSSNX-WFASDCNBSA-N 320.414 2.159 0 40 DEAB CC[C@@H]1CN(C(=O)c2nc(SC)ncc2Cl)CCO1 30852199 OTNROYNTWAHHNV-MRVPVSSYSA-N 301.799 2.103 0 40 DEAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1Cc1ccccc1 101361121 YESRZUNGJBNCHD-HOCLYGCPSA-N 324.311 2.114 0 40 DEAB COc1cccc([C@H](NC(=O)[C@H](C)SC)c2nccn2C)c1 32626473 KLKMGZDGBUHYBJ-FZMZJTMJSA-N 319.430 2.386 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c(C)c1 102393040 MQKVIUPDYTWHTI-ZIAGYGMSSA-N 312.369 2.193 0 40 DEAB COCc1nc2c(s1)CN(C(=O)c1ccccc1OC)CC2 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Cn1cc(CN2CC[C@@]3(C[C@@H](Nc4ccccc4)CO3)C2)cn1 107225895 OAOYSQIVQKIEIQ-QZTJIDSGSA-N 312.417 2.266 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccoc2)c1C 8329109 ULILGGCTSQJQRU-UHFFFAOYSA-N 305.286 2.051 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(C)c1 42623629 CJUCLFDRDUFYLR-CHWSQXEVSA-N 317.341 2.387 0 40 DEAB O=C(C[C@@H]1[C@@H]2CN(Cc3nccs3)C[C@@H]21)Nc1cccnc1 107746000 MUWARZDUUNDQPA-BTTYYORXSA-N 314.414 2.245 0 40 DEAB O=C1C[C@H](SCCO)C(=O)N1c1cc(Cl)cc(Cl)c1 101418255 OZNDPDOSCOZPIU-JTQLQIEISA-N 320.197 2.351 0 40 DEAB CCCS(=O)(=O)NCCc1ccc(-n2nc(C)cc2C)cc1 57006322 TXHWDXAWGRNHDK-UHFFFAOYSA-N 321.446 2.361 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)[C@H]1CC(=O)N(C2CCCC2)C1 57485767 FMHZMFAEUBBQDR-JTQLQIEISA-N 320.418 2.145 0 40 DEAB CCOc1ncccc1C(=O)OCC(=O)N1[C@@H](C)CCC[C@@H]1C 3238365 GTMYEOQPMFQZIO-STQMWFEESA-N 320.389 2.427 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)c1C 12612917 FOGUYPPMIBSGDM-CWSCBRNRSA-N 322.405 2.099 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)Nc1nncs1 58162552 IHRKJSHYSAWCOF-UHFFFAOYSA-N 319.415 2.390 0 40 DEAB COc1ccc2c(CN3C[C@@H](C)OC[C@@H]3C)cc(=O)oc2c1 27642047 NYZGINVWZWJUAC-NWDGAFQWSA-N 303.358 2.411 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2ccnc2)c1 58265119 HYOBYBGNSIQSBW-GFCCVEGCSA-N 303.362 2.168 0 40 DEAB COc1cc(Cl)ccc1C(=O)N(C)CC(=O)N1CCCC1 58283393 GFIISTWMDMGEEP-UHFFFAOYSA-N 310.781 2.043 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1cccs1 44950224 MNQYQBSHWZHGMI-UHFFFAOYSA-N 314.374 2.354 0 40 DEAB CS[C@@H](C)C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 44952228 KGIKAMRPSPQQBA-RYUDHWBXSA-N 308.451 2.420 0 40 DEAB COc1ccccc1-c1cc(C(=O)N2CCOC[C@H]2C)no1 44915714 FYBFLHMNHZIYLI-LLVKDONJSA-N 302.330 2.211 0 40 DEAB Cc1cc(N2CCN(C(=O)c3ccc[nH]3)CC2)nc(C(C)C)n1 58304455 JJBZNPIIKCLIQN-UHFFFAOYSA-N 313.405 2.199 0 40 DEAB COc1ccc(OC)c([C@H](O)CNc2cncc(Cl)n2)c1 58393706 QGZYMPILWSCGGR-LLVKDONJSA-N 309.753 2.293 0 40 DEAB Cc1nc([C@H](C)NS(=O)(=O)c2c(F)cccc2Cl)no1 97147180 YTLIVOBYPWJRMT-LURJTMIESA-N 319.745 2.210 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccc2c(c1)OCCO2 28415422 FACOAIGURURGQZ-LBPRGKRZSA-N 316.357 2.481 0 40 DEAB Cc1ncsc1C(=O)NCCNC(=O)c1ccc(Cl)cc1 59008034 WHQYVOJRFLGSTC-UHFFFAOYSA-N 323.805 2.265 0 40 DEAB O=C(NC[C@H](c1cccs1)N1CCOCC1)c1ccoc1 12770014 WXCYYERZSWCENV-CYBMUJFWSA-N 306.387 2.144 0 40 DEAB COc1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1NC(C)=O 48387042 ACXYEDFDPROFRW-GHMZBOCLSA-N 321.377 2.295 0 40 DEAB COc1ccc2c(CC(=O)OCC(=O)NC(C)C)coc2c1 3419434 JWNZVDWLQNTPTD-UHFFFAOYSA-N 305.330 2.052 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NC(=O)NC2CCCC2)cc1C 3443357 QUSMZJABIZMRCI-UHFFFAOYSA-N 318.373 2.229 0 40 DEAB Cc1sc2ncc(C(=O)Nc3ccccn3)c(=O)n2c1C 71284084 FGNZVDTVDPCUMS-UHFFFAOYSA-N 300.343 2.020 0 40 DEAB CC[C@H](NCc1ccccn1)c1ccccc1OCC(=O)NC 48750060 MHQQMQKVMULGAS-INIZCTEOSA-N 313.401 2.447 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cn3ccccc3n1)C2=O 9216732 TYRJHFVPJSIKHA-PXAZEXFGSA-N 312.373 2.335 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1cccc(C)c1 84733669 GWFPUGBCVMOTNS-HUUCEWRRSA-N 306.406 2.319 0 40 DEAB CC[C@H]1CN(C(=O)CCc2ccsc2)C[C@@H]1N1CCOCC1 84735824 AVYCARWMAYDDBN-HOTGVXAUSA-N 322.474 2.250 0 40 DEAB CCc1cc(NCCNc2ncccn2)nc(-c2ccncc2)n1 65519020 YHGJLQINPMQLOK-UHFFFAOYSA-N 321.388 2.415 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)[C@@H]1CC=CCC1 14112411 HCWMGTUPFQDCGZ-SNVBAGLBSA-N 303.387 2.299 0 40 DEAB Cc1ccc(C)c(-n2nnnc2S[C@H]2CCCCNC2=O)c1 14183127 MWAUUAHBVJGHAJ-ZDUSSCGKSA-N 317.418 2.040 0 40 DEAB COCCNC(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 14247272 RDOKHNAQFWNVKL-UHFFFAOYSA-N 302.378 2.266 0 40 DEAB CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1 4661132 XJZPBNADUBTPJR-UHFFFAOYSA-N 301.390 2.481 0 40 DEAB CCCS(=O)(=O)N(C)Cc1cc2ccc(C)cc2[nH]c1=O 9302723 LUBRNAUYCPPKDZ-UHFFFAOYSA-N 308.403 2.008 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 67434299 CGQVTXISJMMNSI-KGLIPLIRSA-N 323.393 2.010 0 40 DEAB Cc1ccc(CNC(=O)CN2CCC[C@H]2c2cnn(C)c2)s1 71797192 IDEKUHVSJOXIRE-HNNXBMFYSA-N 318.446 2.243 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 7400716 QIAVOVMLELTTJN-GFCCVEGCSA-N 302.374 2.425 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(CC1(O)CCC(C)CC1)CC2 96424721 OCVZJWYMCWGSGR-GMRIPVOYSA-N 311.466 2.180 0 40 DEAB Cc1cc(C(=O)O)c(C)n1-c1ccc(N2CCOCC2)nc1 15861533 SLDCJYCAVMQSBY-UHFFFAOYSA-N 301.346 2.024 0 40 DEAB CN(C)c1ccc(C(=O)NC2CCC3(CC2)OCCO3)cc1F 68196240 XBBIRPLQIJPUAI-UHFFFAOYSA-N 322.380 2.307 0 40 DEAB Cc1[nH]ncc1C(=O)NCCOc1ncc(Cl)cc1Cl 95417289 MYEGEGFTXPUIHZ-UHFFFAOYSA-N 315.160 2.229 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccncc2)CC1 71835146 CRNGWZDDKFNBOF-JKSUJKDBSA-N 311.385 2.123 0 40 DEAB COc1nc(C(=O)N2CCC(OC)CC2)cc2ccccc12 71835192 AJOHSKXAPPLILY-UHFFFAOYSA-N 300.358 2.494 0 40 DEAB Cc1cc(C(=O)OCC(=O)NC(C)C)c(C)n1Cc1ccco1 16695818 IGYKSLCUOAPYJX-UHFFFAOYSA-N 318.373 2.428 0 40 DEAB COc1ccc(-c2n[nH]cc2CNC[C@H]2CCCN2C)cc1 71828226 LFAUCQJXQJTMCZ-OAHLLOKOSA-N 300.406 2.269 0 40 DEAB C[C@@H](NCC(=O)NCCC1=CCCCC1)[C@@H](C)n1cccn1 70003959 IAIWUVIMEAHIIX-HUUCEWRRSA-N 304.438 2.429 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 70009704 PTVXXJPHAKBEFQ-AAEUAGOBSA-N 324.446 2.274 0 40 DEAB COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@@H]2C)cc1O 71924575 WGRWMMZTUQWHHR-STQMWFEESA-N 306.406 2.280 0 40 DEAB c1ccc(-c2noc(CSc3nnnn3C3CC3)n2)cc1 8342687 CUHOQRGJZRPUHR-UHFFFAOYSA-N 300.347 2.350 0 40 DEAB O=C(Nc1ccc(F)cc1F)c1ccccc1-n1cnnn1 8327539 DYKZDBRGADASRY-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 70173459 CMISFPJTAQWMJQ-VHSXEESVSA-N 320.817 2.227 0 40 DEAB O=C1OCC[C@H]1Nc1ccc2c(c1)CCN2C(=O)c1ccoc1 71902669 BWUCEBYXIJVMGH-CQSZACIVSA-N 312.325 2.210 0 40 DEAB CCC(=O)N1CSC[C@@H]1C(=O)Nc1cc(C)nn1C(C)(C)C 69440925 KJSRDHFJMFHCPM-LLVKDONJSA-N 324.450 2.197 0 40 DEAB COC(=O)CN1CCC(c2nc(-c3ccccc3)no2)CC1 69509766 OULCVJWGNMTDDG-UHFFFAOYSA-N 301.346 2.089 0 40 DEAB CCN(CC)C(=O)COC(=O)[C@@H](c1ccccc1)N1CCCC1 69616013 WZDWLDVQTJZBBE-QGZVFWFLSA-N 318.417 2.235 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(-n3ccc(C(N)=O)n3)cc2)o1 69879203 HZYNIYWLURBCRD-UHFFFAOYSA-N 310.313 2.125 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1sccc1C)CC2 95400738 ACJGJICGTYBTGR-QWHCGFSZSA-N 309.431 2.449 0 40 DEAB CCC1(CC)[C@@H](N(C)C(=O)c2cn3cccnc3n2)C[C@H]1OC 95423374 MHPOQFNDKLKDTO-UONOGXRCSA-N 316.405 2.395 0 40 DEAB CCOc1cncc(N2CCN(c3ccccc3F)CC2)n1 84811041 WIOKYRMLEWLEOI-UHFFFAOYSA-N 302.353 2.341 0 40 DEAB COC(=O)[C@H](c1cccnc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 97032372 QBDWYDKEPRJOGC-KBMXLJTQSA-N 314.389 2.075 0 40 DEAB CC(C)n1nnnc1-c1ccc(NCc2cnn(C)c2)cc1F 97083507 LHCSQXIQAGXVKR-UHFFFAOYSA-N 315.356 2.406 0 40 DEAB C/C(=C\C(=O)N[C@@H]1CC(=O)N(C)C1)c1ccccc1OC(F)F 98052906 DLFWZQSFFHTIDW-PFEDMVJOSA-N 324.327 2.038 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c(C)o1 95983499 GCNAUUUNNOWFGT-HNNXBMFYSA-N 317.389 2.460 0 40 DEAB CCOC(=O)N1CCC(N[C@H]2CCN(CC3CCCC3)C2)CC1 95989986 PEFBORFSDDAERD-KRWDZBQOSA-N 323.481 2.461 0 40 DEAB CCNC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 95945381 UAIWPAPLRIJMLQ-JTQLQIEISA-N 313.283 2.232 0 40 DEAB O=S(=O)(NC[C@@H](O)C1CCCC1)c1cccc(Cl)c1 95972888 HFQGAWCBMVDDLP-CYBMUJFWSA-N 303.811 2.169 0 40 DEAB COc1ccc([C@H](C)N(C)C(=O)[C@H]2CCN(C)C(=O)C2)cc1 95948249 DRSLNZWFHCSMEO-JSGCOSHPSA-N 304.390 2.083 0 40 DEAB O=C(Nc1cccnn1)N[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95987450 BNBCLDJRKADOPE-TZMCWYRMSA-N 320.299 2.407 0 40 DEAB CC[C@](C)(NC(=O)CCCNC(=O)C1CC1)c1nc(C)cs1 75146317 OEIWAIBLUDTKBX-INIZCTEOSA-N 323.462 2.499 0 40 DEAB CN(CC(=O)N1CCc2ccccc21)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 75145359 YYYZOHWXAGBMDX-QGTPRVQTSA-N 314.429 2.321 0 40 DEAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)NCCc2n[nH]c(C)n2)c1 89623509 BBUAGTULSDBOMR-JTQLQIEISA-N 322.796 2.201 0 40 DEAB Cc1cccnc1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 27651355 MCLGCEKNOSWUDW-UHFFFAOYSA-N 323.352 2.291 0 40 DEAB COc1ccccc1CNC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35898182 UBLKZTYOVDUFHT-KNPMLCFXSA-N 315.369 2.224 0 40 DEAB CCOc1ccc(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1 409378120 MFNGAKZKKAXHRA-VMUDFCTBSA-N 317.341 2.068 0 40 DEAB Cc1ccn(-c2ccc(NC[C@@H](O)C3CCCCC3)nn2)n1 77963673 ZXHKCYSQWSMUKT-CQSZACIVSA-N 301.394 2.324 0 40 DEAB O=S(=O)(NCC1CCN(Cc2cccs2)CC1)C1CC1 38584795 RCESQBMPTHSCPD-UHFFFAOYSA-N 314.476 2.042 0 40 DEAB CCN1CC=C(c2nn3c(C(F)(F)F)nnc3s2)CC1 73636205 UIFCFLPEEHGWKG-UHFFFAOYSA-N 303.313 2.314 0 40 DEAB CC(C)CCN1CCN(S(=O)(=O)c2cccc(F)c2)CC1 70979797 IIHRWPVJCCPZIP-UHFFFAOYSA-N 314.426 2.178 0 40 DEAB COc1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 70639454 YDZMFGGSKQCWPK-INIZCTEOSA-N 314.385 2.098 0 40 DEAB COc1ccccc1C(C)(C)NCC(=O)NC(=O)NC(C)(C)C 78440879 ABPQXNWXDBYBDN-UHFFFAOYSA-N 321.421 2.144 0 40 DEAB O=c1c2c3c(sc2ncn1Cc1ncn[nH]1)CCCCCC3 32534929 DMQUZLFNAUNPLG-UHFFFAOYSA-N 315.402 2.283 0 40 DEAB COc1ccnc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 369530506 HNVBQYBJNLVRCN-IYBDPMFKSA-N 310.401 2.053 0 40 DEAB Cc1ccc(-c2noc(C3CCN(S(C)(=O)=O)CC3)n2)cc1 35291184 SXLGZYVPTYWOQY-UHFFFAOYSA-N 321.402 2.184 0 40 DEAB Cc1cc(C)c(S(=O)(=O)n2ccnc2)cc1Br 41095758 JVQHAYCCOQRGAC-UHFFFAOYSA-N 315.192 2.499 0 40 DEAB CCN1CCN(C(=O)c2nnsc2-c2ccc(C)cc2)CC1 71195329 IHCKHCSYZRVWMH-UHFFFAOYSA-N 316.430 2.291 0 40 DEAB Cc1ncccc1Oc1nccnc1[C@H]1CCCN(CCO)C1 72383510 KILRUYWTLCNBDK-AWEZNQCLSA-N 314.389 2.144 0 40 DEAB C[C@@H]1NC(=S)N(CCc2ccccc2C(F)(F)F)C1=O 49021441 SUKSNQYCEAOBKY-QMMMGPOBSA-N 302.321 2.353 0 40 DEAB C[C@@H]1CCCN(CCCNC(=O)c2ccc3c(c2)OCCO3)C1 46960018 GNJVWQJZXODGAI-CQSZACIVSA-N 318.417 2.310 0 40 DEAB CC1(C)CN=C(N2CCN(C(=O)CCC(F)(F)F)CC2)S1 85264267 XFXCBAUZFNJPNP-UHFFFAOYSA-N 323.384 2.355 0 40 DEAB COc1ccc(CCC(=O)NCCCn2ccnc2)cc1C 223372591 XVJXRUIKSBLYGD-UHFFFAOYSA-N 301.390 2.339 0 40 DEAB CCCOC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCC1 225654455 LARDDQMHQFKJIP-UHFFFAOYSA-N 320.389 2.229 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(Cl)cn1 83755490 UHRLCDNNLPDMGF-ZDUSSCGKSA-N 304.733 2.161 0 40 DEAB COC(=O)c1ccc(OCC(=O)NCc2ccco2)c(Cl)c1 48264684 MLDWLPSNBOSCJK-UHFFFAOYSA-N 323.732 2.415 0 40 DEAB Cc1ccc(S(=O)(=O)NCCOCc2ccccc2)cc1 80799888 FIEMQFVYGSJLQI-UHFFFAOYSA-N 305.399 2.490 0 40 DEAB O=C(c1ccc[nH]1)N1CCc2c(cccc2N2CCOC2=O)C1 96431751 UQYPPXKWVWLXKG-UHFFFAOYSA-N 311.341 2.170 0 40 DEAB C[C@H](N)[C@@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 195542935 LNJUSYOWPAMVHY-JGVFFNPUSA-N 304.287 2.442 0 40 DEAB O=C(NCCc1ccc(F)cc1F)N1CCCC[C@H]1CCO 96493226 JSJMKSQXZYLFPU-AWEZNQCLSA-N 312.360 2.454 0 40 DEAB Cc1ccc(CN2CCC3(CC[C@@H](C(=O)N(C)C)O3)CC2)o1 96061131 FSUQSDQSPGMOCI-HNNXBMFYSA-N 306.406 2.190 0 40 DEAB C[S@@](=O)c1ccc(CN[C@@H](CO)c2ccccc2F)cc1 96461187 IIIKKPDHJGJZJL-KKSFZXQISA-N 307.390 2.386 0 40 DEAB Cc1ccnc(NC[C@H]2CCN([C@H](C(N)=O)c3ccccc3)C2)c1 97200768 WYDKAFOPTKHFRF-QAPCUYQASA-N 324.428 2.350 0 40 DEAB O=C(c1cccs1)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053766 ZIPALYZFYJXZID-HUUCEWRRSA-N 313.426 2.347 0 40 DEAB C[C@H](C(=O)O)C(=O)NC1(c2ccc(Br)cc2)CC1 579126752 RYNHLXLZYSVLSW-QMMMGPOBSA-N 312.163 2.275 0 40 DEAB CC(C)CN1CCNC(=O)C12CCN(Cc1cccs1)CC2 96230167 IIBOLIOLMVGWNU-UHFFFAOYSA-N 321.490 2.171 0 40 DEAB C[C@@H](COc1ccc(F)cc1)NC(=O)N1CCOCC[C@H]1C 91623180 BVWVUBLGDZBJQE-QWHCGFSZSA-N 310.369 2.413 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)o1 96048586 OUKHOWTZQAKBOW-YOEHRIQHSA-N 315.373 2.421 0 40 DEAB O=C(Cn1ccnn1)Nc1cccnc1Sc1ccccc1 95408750 PUQNPJCTNGDKJT-UHFFFAOYSA-N 311.370 2.463 0 40 DEAB CO[C@H]1CCN(C(=O)c2cc3ccccc3o2)[C@H]2CCO[C@H]12 96220659 BUAWDMHHWXYXTO-NOLJZWGESA-N 301.342 2.451 0 40 DEAB CN(C)C(=O)c1ccnc(NCc2cn(C)nc2C(C)(C)C)c1 97095791 GNIOCQJLRDMOBC-UHFFFAOYSA-N 315.421 2.427 0 40 DEAB COCCN1CC[C@@]2(CCCN(Cc3ccsc3)C2)C1=O 96223959 NVUIXPKEDZFKRC-MRXNPFEDSA-N 308.447 2.209 0 40 DEAB O=C1NC2(CCN(Cc3ccco3)CC2)C[C@@H]1c1cccnc1 96199454 GRSGYHWWNPANLN-MRXNPFEDSA-N 311.385 2.313 0 40 DEAB COc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@H]3C2)cc1 247874315 GASPNUSGLRSTIH-PKOBYXMFSA-N 316.445 2.380 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257280452 OKXNZSVNJRJBPK-LLVKDONJSA-N 301.394 2.368 0 40 DEAB CN(Cc1c[nH]cn1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257266811 MEPKRFIOYVSHRU-IKGGRYGDSA-N 301.390 2.203 0 40 DEAB CCOc1ccc2c(c1)sc(=NC(=O)c1ccn(C)n1)n2C 252444020 RBOKDARKCHATGZ-UHFFFAOYSA-N 316.386 2.113 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)Cc1c(C)n[nH]c1C 257262641 LMFBHWVSCKWMMN-AWEZNQCLSA-N 301.394 2.354 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)ccn1 257225033 FENIQQKZTVSTGS-KRWDZBQOSA-N 317.433 2.022 0 40 DEAB CN(C)c1cnc(C[C@H]2CCCN(c3cnccn3)CC2)cn1 257342453 ZORFZOOKVXSENI-AWEZNQCLSA-N 312.421 2.182 0 40 DEAB O=C(Cn1cc(Cl)cn1)N1CCC[C@H](c2nccs2)C1 257231157 GFOOCUDEHZTUKU-JTQLQIEISA-N 310.810 2.399 0 40 DEAB Cc1cc([C@H]2CN(C(=O)c3c(C)noc3C)CCO2)ccn1 257304102 SKBSSRQKAATALN-CQSZACIVSA-N 301.346 2.209 0 40 DEAB Cc1cncc([C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 257205898 BAZSZFZNTAOZPB-CQSZACIVSA-N 313.405 2.074 0 40 DEAB CC(C)NC(=O)CCNC(=O)N1CCc2sccc2[C@H]1C 45575499 DOXSZNAOGDYGHG-LLVKDONJSA-N 309.435 2.292 0 40 DEAB COc1ccc([C@@H](C)NC(=O)Nc2nncs2)cc1OC 47149410 QGKUORTXCNMHBK-MRVPVSSYSA-N 308.363 2.438 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1)C(=O)N(C)C 56875739 IWZYDLDCCIYYDW-SWLSCSKDSA-N 321.396 2.019 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)c1cc2ccccc2c(=O)[nH]1 53427463 ZFJUABMPXRAQPR-ZDUSSCGKSA-N 300.358 2.169 0 40 DEAB CC(=O)N(C)CC(=O)N[C@H](C)CCc1ccc(OC(C)C)cc1 55701270 VXEGFPTUEZECJL-CQSZACIVSA-N 320.433 2.389 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cn1 54120192 OFDPWKBVRWMGHB-ZDUSSCGKSA-N 316.361 2.192 0 40 DEAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1csnn1 89774508 HBPGWOZODHKGBL-SNVBAGLBSA-N 317.292 2.020 0 40 DEAB COC1(c2ccnn2C)CN(c2ncnc3scc(C)c23)C1 1336705272 DUVALDLJIYQNBJ-UHFFFAOYSA-N 315.402 2.095 0 40 DEAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@@H](c2ccccc2C(F)(F)F)N1 5819130 JQRZYQCMCRYNFV-WDEREUQCSA-N 311.263 2.117 0 40 DEAB c1ccc2c(NCCNc3ccc4nnnn4n3)cccc2c1 12533043 PLFKNDOASBINJX-UHFFFAOYSA-N 305.345 2.197 0 40 DEAB COc1ccc(CC(=O)Nn2c(C)nc3ccccc3c2=O)cc1 12790221 SWFWVMKCJJXUPP-UHFFFAOYSA-N 323.352 2.026 0 40 DEAB COc1ccc(C(=O)Nc2nnc3n2CCCS3)c(OC)c1 16944584 OCHZWCDISKZWMB-UHFFFAOYSA-N 320.374 2.043 0 40 DEAB CC(=O)N[C@H](c1ccccn1)C1CCN(C[C@H]2CCOC2)CC1 19020436 NGQNHBIFCGPSPW-QAPCUYQASA-N 317.433 2.007 0 40 DEAB CCc1cc(CNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)on1 19522784 OAUAWJFIWUTWER-OAHLLOKOSA-N 305.353 2.295 0 40 DEAB CC(=O)c1ccc(N2C(=O)C[C@@H](NC3CCCCC3)C2=O)cc1 19848436 KFLGAHWKMKJTAD-MRXNPFEDSA-N 314.385 2.443 0 40 DEAB O=C(C1CCOCC1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148757 DJDPBXQZGTWCFQ-INIZCTEOSA-N 301.386 2.364 0 40 DEAB O=C(N[C@H]1CCCN(c2ncnc3sccc23)C1)C1CC1 1889085228 KSJJNMCSMOJPAX-NSHDSACASA-N 302.403 2.186 0 40 DEAB Cc1cc(-c2cncc(C(=O)O)c2)nc([C@H]2CCCN(C)C2)n1 1848353175 IIBVEVRRBHSFHH-LBPRGKRZSA-N 312.373 2.354 0 40 DEAB Cc1ccc(C(=O)N2CCN(C=O)C[C@H]2c2ccccc2)cn1 1848356745 OFLFJBOZIAIQSG-KRWDZBQOSA-N 309.369 2.046 0 40 DEAB CCOC(=O)c1cccc(-c2cccc(C(=O)OCC)n2)n1 35653982 XUYCSFZRYWQKJJ-UHFFFAOYSA-N 300.314 2.497 0 40 DEAB Cc1nccc(N2CCN(Cc3ccncc3F)[C@@H](C)C2)n1 2086864676 OCXHTXLLWJWNDD-LBPRGKRZSA-N 301.369 2.030 0 40 DEAB CCCn1nc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)ccc1=O 40072635 YKMJBTHMHYGDMK-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB Cc1cccc(CS(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c1 40496774 HQRYUTUACHFWQF-LBPRGKRZSA-N 322.386 2.233 0 40 DEAB O=C(NCCCN1CCCCCC1=O)NCc1ccccc1 40468348 TVSKNMXMDHZKQU-UHFFFAOYSA-N 303.406 2.279 0 40 DEAB O=C(Nc1cccc(O)c1)c1ccc(Cl)cc1-n1cnnn1 20736776 IGOORRLPTFMWBR-UHFFFAOYSA-N 315.720 2.274 0 40 DEAB COCCNC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32579088 MKVOMYISJHVMNX-UHFFFAOYSA-N 319.361 2.001 0 40 DEAB Cc1nc(COc2ccc(C(=O)Nc3nncs3)cc2)no1 21215753 LLXZWDQAJWZZRF-UHFFFAOYSA-N 317.330 2.061 0 40 DEAB O=C(CSc1nc([C@@H]2CCCO2)n[nH]1)NC1CCCCC1 32873989 WTTNUFGQZRSLFL-NSHDSACASA-N 310.423 2.197 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)N1C[C@@H](C)C[C@H](C)C1 32998022 JPAWSCBISHNELI-KBPBESRZSA-N 318.417 2.320 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 156555 JVODHJDPZFQYJB-CYBMUJFWSA-N 316.332 2.084 0 40 DEAB CCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2 211310 MWQVAXFULAVAOU-UHFFFAOYSA-N 317.370 2.000 0 40 DEAB Cc1nc(CN2CCCN(C(=O)c3ccco3)CC2)cs1 69947499 ZORRTVKGBHMPFG-UHFFFAOYSA-N 305.403 2.393 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1cccn1C 76042797 YHSJBVZLBGMOIB-YOEHRIQHSA-N 302.422 2.243 0 40 DEAB CCOC(=O)c1cc2occc2n1CC(=O)N1CCCCC1 1337796 QTBLQUXXPDPORN-UHFFFAOYSA-N 304.346 2.424 0 40 DEAB COC(=O)N1CCC[C@H](C(=O)Nc2cc(C)nc(C(C)C)n2)C1 78611463 MYYCFDPFXVCWQP-LBPRGKRZSA-N 320.393 2.325 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)n[nH]1 78902267 TZNYAUOIIJGQSP-LBPRGKRZSA-N 313.357 2.467 0 40 DEAB CC12CN3CC(C)(CN(C1)C3c1ccc(O)c3ncccc13)C2=O 79192288 HBQVNUJOCQQZBO-UHFFFAOYSA-N 323.396 2.166 0 40 DEAB biogenic C[C@H](Oc1cccc(Cl)c1)C(=O)NC[C@H]1COC(C)(C)O1 79107407 RZRSQZDGOCIZLO-GWCFXTLKSA-N 313.781 2.375 0 40 DEAB CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)O)c2ccco2)CC1 2527347 OPLSAKPKNAYAOR-ZDUSSCGKSA-N 324.377 2.348 0 40 DEAB Cc1nnc(CNC(=O)Cn2ccc3ccc(Cl)cc32)n1C 69920959 LRTYOVHIINUVGN-UHFFFAOYSA-N 317.780 2.048 0 40 DEAB COc1ccc(OC)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 4164416 LWAHMGRMSPTPKF-MMDVMMEASA-N 319.357 2.389 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccccn1)C(=O)O 4222921 RCKWNICGDIAROK-MRXNPFEDSA-N 306.362 2.478 0 40 DEAB COc1ccc2c(c1)CC[C@H]1C2=CC[C@@H](C(=O)O)[C@@H]1C(=O)O 4776203 KKHOCXPWZHHXOR-RRFJBIMHSA-N 302.326 2.446 0 40 DEAB COc1cc(C(=O)OCC(=O)C(C)(C)C)cc2c1OCCO2 7939015 XOLMKGZZVRDTTJ-UHFFFAOYSA-N 308.330 2.238 0 40 DEAB COc1ccccc1CCNC(=O)c1nc(-c2ccncc2)no1 12408068 JIZVMPPSEVCCHS-UHFFFAOYSA-N 324.340 2.113 0 40 DEAB COc1ccccc1CNS(=O)(=O)c1ccc(C(C)=O)cc1 8392650 RNALRROZEILSFU-UHFFFAOYSA-N 319.382 2.376 0 40 DEAB O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@@]2(CCOC2)C1 107363342 CTINUQDOEPQRCV-KBXCAEBGSA-N 316.401 2.020 0 40 DEAB S=C(NCc1cn2ccccc2n1)N[C@@H]1C[C@H]2CC[C@H]1C2 107325691 JIQUAZKWKGVUQN-SGMGOOAPSA-N 300.431 2.487 0 40 DEAB COc1cc(Cl)ccc1CNC(=O)NC[C@H]1CCCN1C 107839971 QTDHAZMJMNEWAU-CYBMUJFWSA-N 311.813 2.242 0 40 DEAB COc1cccc2c1N(CC(=O)Nc1cc(C)on1)CCC2 26338360 IRSKYVFRSYPURV-UHFFFAOYSA-N 301.346 2.383 0 40 DEAB Cn1cccc1CN1CCC2(CC1)CCN(c1cccnc1)C2=O 106824606 QKLNAESBKSLZRT-UHFFFAOYSA-N 324.428 2.439 0 40 DEAB O=C(O)CCn1nc(-c2ccccc2Br)ccc1=O 57352072 IKCVWYFRUMMHRA-UHFFFAOYSA-N 323.146 2.148 0 40 DEAB Fc1ccc(Nc2nc(N3CCOCC3)c3nc[nH]c3n2)cc1 56907343 KPXPXKOSEYWROL-UHFFFAOYSA-N 314.324 2.072 0 40 DEAB Cc1c(NC2=NC[C@@H](C)S2)c(=O)n(-c2ccccc2)n1C 3226974 COSVVTJEOMTYFV-SNVBAGLBSA-N 302.403 2.388 0 40 DEAB CCN(c1cccnc1)S(=O)(=O)c1cccc(C(=O)OC)c1 57875149 CVEOOLXDJVVMTE-UHFFFAOYSA-N 320.370 2.083 0 40 DEAB Nc1nn(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c2ccccc12 57963925 HHARFGYZHFDAEM-LLVKDONJSA-N 312.373 2.050 0 40 DEAB Cc1noc(C)c1CNC(=O)c1nc(-c2cccs2)no1 20716742 IIJDTHRZLBFLRU-UHFFFAOYSA-N 304.331 2.333 0 40 DEAB CN(CC(=O)N1CCCC1)Cc1csc(-c2ccco2)n1 44896497 OIGRAXPCVYXPFW-UHFFFAOYSA-N 305.403 2.457 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N[C@H](C)c1cccc(Br)c1 58406339 FXSOSHSHKVADHD-BDAKNGLRSA-N 313.195 2.151 0 40 DEAB O=C(NCc1coc(-c2cccs2)n1)c1cccnc1O 10884382 NGPGMICVMOFXGI-UHFFFAOYSA-N 301.327 2.434 0 40 DEAB O=C(CN1CCN(Cc2ccccc2)CC1)NCc1ccccc1 21434006 MZXQDYFQFXGLHT-UHFFFAOYSA-N 323.440 2.121 0 40 DEAB CCCCN(C)C(=O)c1cc(S(=O)(=O)NCC)ccc1C 13010018 DOPOAXKSLLVCFD-UHFFFAOYSA-N 312.435 2.165 0 40 DEAB O=C(O)c1ccc2nc(-c3cnc(N4CCCC4)nc3)[nH]c2c1 48877384 WTJUFWDLLDDIML-UHFFFAOYSA-N 309.329 2.318 0 40 DEAB CC12CN3CC(c4ccccc4)(CN(C1)C3c1cccnc1)C2=O 19322812 NJYBMPGQQDUMJC-UHFFFAOYSA-N 319.408 2.238 0 40 DEAB biogenic CCN(Cc1ccccc1)C(=O)Cn1nnc(-c2ccccc2)n1 4549382 BLUGCHYEHIYFBB-UHFFFAOYSA-N 321.384 2.389 0 40 DEAB C[C@H](NC(=O)CSc1nc(-c2ccccc2)n[nH]1)C1CC1 9155924 VIZPBRASUBOHRS-JTQLQIEISA-N 302.403 2.479 0 40 DEAB CC1CCN(c2ccc(C(=O)NC[C@H]3CCCO3)cn2)CC1 20098107 OSCMHJRGWNDUSU-OAHLLOKOSA-N 303.406 2.227 0 40 DEAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67095828 MLXIEIMOIAVLKD-LERXQTSPSA-N 313.394 2.010 0 40 DEAB COc1cc(NC(=O)c2cnc(C)cn2)cc(OC)c1OC 6947753 HVEUVRRBDAFXGG-UHFFFAOYSA-N 303.318 2.063 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)c1ccc2c(c1)OCO2 7268372 YBCIBGXMQDHBSQ-UHFFFAOYSA-N 308.293 2.008 0 40 DEAB CC(=O)N1CCC(NC(=O)/C=C(\C)c2ccc(F)cc2)CC1 96180111 GLOPFYFVQGYLHR-VAWYXSNFSA-N 304.365 2.356 0 40 DEAB CN(CCCCCc1cc(-c2ccc(F)cc2)[nH]n1)CC(N)=O 68831709 GMSYJISJSVIRFC-UHFFFAOYSA-N 318.396 2.346 0 40 DEAB COc1ccccc1NC(=O)N1CCCC[C@@H]1C1OCCO1 69310323 MUKLZMWYOUSIBO-CYBMUJFWSA-N 306.362 2.455 0 40 DEAB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1O)C(=O)OC 409038805 BFSSHVQPRWOGKB-UHFFFAOYSA-N 305.113 2.428 0 40 DEAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(OC)cc2)C1 69527729 CVZGLFDMWGUSHZ-AWEZNQCLSA-N 318.417 2.464 0 40 DEAB CN(C)[C@H](CNC(=O)NCCc1cccc(O)c1)c1ccco1 69587816 VMLOUTDGZRZJNS-OAHLLOKOSA-N 317.389 2.130 0 40 DEAB Cc1nc(/C=C/C(=O)N(CCN(C)C)C[C@H]2CCCO2)cs1 69571363 YWEGCOKBCQLTAG-LQYUOIDQSA-N 323.462 2.034 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2ccc(NC(C)=O)cc2)c1 9479477 KCNDMFAHTOESEM-UHFFFAOYSA-N 311.341 2.257 0 40 DEAB CCc1nc2n(n1)C[C@H](NCc1ccn(-c3ccccc3)n1)CC2 69745060 OUYPOZBFRULUCW-OAHLLOKOSA-N 322.416 2.131 0 40 DEAB COc1ccc(CCN2CCCC[C@H]2Cn2cncn2)cc1 71876228 JAFLYSLPMOTPLO-INIZCTEOSA-N 300.406 2.384 0 40 DEAB Cc1ccc(CNC(=O)c2cnn(-c3ccc(F)cc3)n2)cn1 71915228 LIXCYHKOMOUCNS-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1cccnc1 95469052 NYMIVXOJHPSKTM-ZDUSSCGKSA-N 319.430 2.183 0 40 DEAB CCO[C@@H](C)c1nc(C(=O)N[C@H]2CCc3nccn3C2)cs1 72292183 PDMKHNBKCFXSSH-QWRGUYRKSA-N 320.418 2.182 0 40 DEAB CCc1ncc(NC(=O)[C@H](C)NC(=O)c2cccc(C)c2)cn1 95448165 BYXXFUXRWVGIFI-LBPRGKRZSA-N 312.373 2.104 0 40 DEAB CC(C)c1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)no1 98020367 HAEISRPRYQTJFP-QWRGUYRKSA-N 306.366 2.073 0 40 DEAB CCOC(=O)c1cnc(N(C)[C@H]2CCN(CC)C[C@H]2C)nc1C 95993852 SWUSPDHTYUCBGW-DOMZBBRYSA-N 320.437 2.128 0 40 DEAB C[C@@H]1CN(C(=O)CN2CCSC[C@@H]2c2ccccc2)CCO1 75139851 ANCZDBVNCQUOMX-GDBMZVCRSA-N 320.458 2.024 0 40 DEAB CCOC(=O)c1cc(NC(=O)c2n[nH]c3ccccc23)cn1C 75215653 UCARQTUWLYVYRN-UHFFFAOYSA-N 312.329 2.330 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CCc3c(F)cccc32)C1 89919432 HTIODCKYSRPITK-YOEHRIQHSA-N 320.364 2.408 0 40 DEAB CC[C@](C)(NC(=O)c1cc(=O)c(OC)c[nH]1)c1nc(C)cs1 1548653695 JTKYASDSGZZKRM-HNNXBMFYSA-N 321.402 2.204 0 40 DEAB CC(C)[C@]1(C(=O)O)CCN(C(=O)c2cc(-c3ccoc3)[nH]n2)C1 516391459 ATOQABUCFFQCSC-INIZCTEOSA-N 317.345 2.243 0 40 DEAB COc1ccn2c(C(=O)N[C@@H]3C[C@@H](OC)C34CCC4)cnc2c1 521030995 LWNRNZLOSPWGLJ-ZIAGYGMSSA-N 315.373 2.030 0 40 DEAB O=S(=O)(C[C@H]1CCCCO1)Nc1ccn(-c2ccccc2)n1 76935791 BSTJWUAPKVJRGR-CQSZACIVSA-N 321.402 2.183 0 40 DEAB COc1cc(C(=O)N(C)C[C@@H](C)C(=O)O)cc(Cl)c1OC 42695255 LGYFBEWYKRLCGN-MRVPVSSYSA-N 315.753 2.150 0 40 DEAB CC(C)=CCN1CCC(NC(=O)[C@H](O)c2ccccc2)CC1 73471876 XMNVMYIPHQVAOY-QGZVFWFLSA-N 302.418 2.267 0 40 DEAB COc1ccccc1NC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 78777100 WIDJHYDIMATJQU-QWHCGFSZSA-N 317.389 2.027 0 40 DEAB CCS(=O)(=O)[C@@H]1[C@@H](C(N)=S)[C@@H]1c1ccc(Cl)cc1 218576470 ZAJGTHKBHUDZNN-DCAQKATOSA-N 303.836 2.143 0 40 DEAB C[C@H]1CC[C@H](NC(=O)NCCS(=O)(=O)C(C)(C)C)[C@H](C)C1 79098744 VWGQAXYPXNCAHS-XQQFMLRXSA-N 318.483 2.324 0 40 DEAB CC(C)N(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1 79411122 DHKYQQHCVPCWDL-KRWDZBQOSA-N 320.433 2.490 0 40 DEAB CSCCCNC(=O)Nc1ccccc1-n1c(C)c[nH]c1=O 77441247 FZEXIYDTJIBSEX-UHFFFAOYSA-N 320.418 2.349 0 40 DEAB CCOc1cc(N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)ncn1 79439090 WLTVDSYFDQNMGF-LLVKDONJSA-N 308.382 2.297 0 40 DEAB O=C(/C=C/c1c(Cl)nc2ccccn12)NC1CCC(O)CC1 49909122 GRDOIXBVMKRPKE-CMDGGOBGSA-N 319.792 2.421 0 40 DEAB Cc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1C 225179277 YHGAARYADJLRCA-UHFFFAOYSA-N 324.402 2.266 0 40 DEAB COCCOc1ncc(NC(=O)[C@@](C)(OC)C2CC2)cc1C 225891890 YCGPSVLIUQSPTJ-INIZCTEOSA-N 308.378 2.169 0 40 DEAB Cc1nn(C)c2sc(C(=O)NC3CCN(C4CC4)CC3)cc12 44217070 HHTQELCSNNSEOH-UHFFFAOYSA-N 318.446 2.300 0 40 DEAB COc1cc(OC)cc(-c2nnc(SCCCC(=O)O)[nH]2)c1 224977163 DYVDWKOFHZESIB-UHFFFAOYSA-N 323.374 2.446 0 40 DEAB C/C(=C\C(=O)NCCCC(N)=O)c1cccc(C(F)(F)F)c1 98013878 LKQSPRHHXRNRRJ-CSKARUKUSA-N 314.307 2.490 0 40 DEAB COC[C@H]1CCC[C@]12CN(C(=O)c1cccc(C)n1)CCO2 96159864 MZELBMLVKOSRQB-PBHICJAKSA-N 304.390 2.048 0 40 DEAB c1cncc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)c1 96047954 DXFOLTYPABODIY-KRWDZBQOSA-N 301.434 2.301 0 40 DEAB C[C@H]1CN(c2ccccn2)C[C@@]12CCN(Cc1cccnc1)C2=O 96201723 BWENZHZNEISDNX-KXBFYZLASA-N 322.412 2.352 0 40 DEAB COCCN1CC[C@@]2(COCCN(Cc3ccc(C)s3)C2)C1 96062303 UMWKBIWGWCILQO-QGZVFWFLSA-N 324.490 2.227 0 40 DEAB Cc1ccc(C(=O)N2Cc3cncn3[C@@H](CN3CCCC3)C2)o1 247901619 IVZAHLZKYHATDR-HNNXBMFYSA-N 314.389 2.077 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)c2ccc3ncccc3c2)[C@H]1O 257267774 MISBRMXYOXHVHU-BRWVUGGUSA-N 314.385 2.283 0 40 DEAB Cc1cc2nc(C3CCN(Cc4cnn(C)c4C)CC3)ccn2n1 257292831 QNDCMFUZMOJGPI-UHFFFAOYSA-N 324.432 2.459 0 40 DEAB Cc1cc(NC(=O)c2cccnc2O[C@H]2CCOC2)sn1 253400918 MEMSVGVWJDAYDZ-JTQLQIEISA-N 305.359 2.267 0 40 DEAB CN(Cc1cc[nH]n1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257328612 XGKHHSLPDUEYQM-IKGGRYGDSA-N 319.380 2.342 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc(OC)c(F)c1 24726190 VDFSEASJRXYBQE-CYBMUJFWSA-N 311.353 2.081 0 40 DEAB CN1C(=O)N(Cc2cccnc2)[C@H]2[C@@H]1CC[C@H]2c1cnccn1 257230888 GEJWABCJHUPOOD-CWRNSKLLSA-N 309.373 2.054 0 40 DEAB Cc1cc(C(=O)NCC[C@H](O)c2ccc3c(c2)OCO3)c(C)o1 85560657 UVMRLNHHDOYJAO-AWEZNQCLSA-N 317.341 2.479 0 40 DEAB Cc1ccc(C2=NO[C@H](CNC(=O)[C@H]3CCCOC3)C2)cc1C 252481820 CTFQANXSMFBMIP-HOTGVXAUSA-N 316.401 2.339 0 40 DEAB CCn1nc(C(=O)N2CCN(C)[C@H](c3ccccc3)C2)cc1C 257303803 SITTUCXPAQFAAM-KRWDZBQOSA-N 312.417 2.340 0 40 DEAB COc1cc(NS(=O)(=O)c2ccc3ccccc3c2)ncn1 86071790 IYSPWEVJEWLKOH-UHFFFAOYSA-N 315.354 2.439 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575404719 UWOADMMTACXRLO-BPLDGKMQSA-N 318.442 2.341 0 40 DEAB O=C(C1CCC1)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1 585095798 LRESHNDAPSPVHF-KRWDZBQOSA-N 316.449 2.443 0 40 DEAB CN(C)[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)c1ccccc1 70039918 FYPVKWGKDLLVKQ-DLBZAZTESA-N 312.417 2.177 0 40 DEAB CCO[C@@H](C)c1nc(C(=O)N[C@@H]2CCc3nccn3C2)cs1 72292181 PDMKHNBKCFXSSH-WDEREUQCSA-N 320.418 2.182 0 40 DEAB CCn1cnnc1CNC(=O)N[C@@H](C)c1cc(F)ccc1F 48992565 WQRXIQYMAYGVRF-VIFPVBQESA-N 309.320 2.137 0 40 DEAB CN(C)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cn1 75128425 FUWCVDMENGRCMT-UHFFFAOYSA-N 313.329 2.227 0 40 DEAB Cn1nc(-c2ccncc2)cc1CNC(=O)Cc1ccc(F)cc1 1775965743 DTEQHZZQNFRZAE-UHFFFAOYSA-N 324.359 2.480 0 40 DEAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c(=O)[nH]1 12417754 JDYDUSALXVAQRZ-LLVKDONJSA-N 317.414 2.416 0 40 DEAB biogenic,in-vitro O=C1OCC/C1=C\OCCCCCCO/C=C1\CCOC1=O 17019790 NRQWKXBEBCJMGJ-PHEQNACWSA-N 310.346 2.242 0 40 DEAB CC(=O)NC1=NC(=O)/C(=C/c2cccc(Cl)c2Cl)N1C 5602234 HVCKHBNWUDBHNB-POHAHGRESA-N 312.156 2.298 0 40 DEAB CC(C)(C)NC(=O)NC[C@@H](c1ccsc1)N1CCOCC1 20950270 NEJFLGJJQVLXFK-ZDUSSCGKSA-N 311.451 2.219 0 40 DEAB Cc1ccc(CN2CCC[C@@H](NS(=O)(=O)C3CC3)C2)cc1 2070386191 JPBVXXNHXKUFPQ-OAHLLOKOSA-N 308.447 2.041 0 40 DEAB O=S(=O)(NC[C@@H]1COc2ccccc21)c1ccccc1F 341978864 OXCJJPBXKMQYID-LLVKDONJSA-N 307.346 2.280 0 40 DEAB CCOc1ccccc1CS(=O)(=O)Cc1nc(C2CC2)no1 40105983 BGPIMHVQHGNOHQ-UHFFFAOYSA-N 322.386 2.461 0 40 DEAB COC(=O)/C=C/C(C(=O)OC)=C(\C)NCc1ccc(C)cc1 100285402 BINMSDBRKRQWOB-OFPSORBISA-N 303.358 2.261 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)N[C@H](C)C(C)C)ccc21 40472943 PALOXWXNWSKIRN-LLVKDONJSA-N 301.390 2.499 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1ccc(N2CCCC2)nc1 31633498 DFALZUGAOPHPJP-UHFFFAOYSA-N 313.405 2.213 0 40 DEAB Cc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)no1 31732111 MXMBPIUPBRVRSG-SECBINFHSA-N 316.317 2.197 0 40 DEAB COCCNC(=O)c1c(C)nn(-c2ccc(F)cc2F)c1C 40512703 FJPPLYRPEWEKSI-UHFFFAOYSA-N 309.316 2.144 0 40 DEAB O=C(NCCNC(=O)c1c(F)cccc1F)c1ccccc1 32908603 OYTRDDNMHFKKAV-UHFFFAOYSA-N 304.296 2.125 0 40 DEAB CC(C)NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2F)C1 32913071 WIKJISIWXSMIRU-AWEZNQCLSA-N 321.396 2.272 0 40 DEAB COC(=O)[C@@H]1[C@@H](C(=O)OCC(=O)c2ccccc2)[C@H]2CC[C@@H]1C2 482176 XFUVBHSAVQVDEC-VRKREXBASA-N 316.353 2.248 0 40 DEAB CCOc1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1 211309 RRNSEOSHCQTHMC-UHFFFAOYSA-N 317.370 2.000 0 40 DEAB O=C(NCc1cc(Br)cs1)NC[C@H]1CCOC1 47040455 WNTIBKKRFFYRFZ-MRVPVSSYSA-N 319.224 2.346 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3nc(C4CC4)no3)C2)n1 69841421 NJXLBPPJYGALPQ-ZDUSSCGKSA-N 316.409 2.068 0 40 DEAB CNc1nc(CNc2ncc(Br)cn2)cs1 76061230 GFNNUHHJXIYQKO-UHFFFAOYSA-N 300.185 2.349 0 40 DEAB COc1cccc(C[S@@](=O)[C@@H](C)C(=O)NC2CCCC2)c1 78556264 NENDVSHGSXHORB-QKVFXAPYSA-N 309.431 2.391 0 40 DEAB O=P(Cc1ccccc1)(N1CCOCC1)N1CCOCC1 1737389 QTBSQMVNLYMLIZ-UHFFFAOYSA-N 310.334 2.044 0 40 DEAB CN(C)c1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cn1 78718676 QDRBGBYXBWGMBV-UHFFFAOYSA-N 322.372 2.040 0 40 DEAB FC(F)(F)c1cc(N2CCOCC2)nc(-c2ccccn2)n1 1387864 YZIAWOBPPARMOZ-UHFFFAOYSA-N 310.279 2.394 0 40 DEAB O=C(c1ccc(Br)o1)N1CCOc2ccncc21 79022441 PZJVGGUSAOQWIK-UHFFFAOYSA-N 309.119 2.476 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cn1 47223966 CIOHVELIHVTHOR-UHFFFAOYSA-N 324.789 2.320 0 40 DEAB CC1=NO[C@H](c2ccccc2Cl)[C@@H]1C(=O)N1CCOCC1 4942470 PDRXQUVRGPKWEP-ZIAGYGMSSA-N 308.765 2.262 0 40 DEAB CCN(CC)CCCN[C@@H](C)C(=O)N1CCc2ccccc21 4969448 VPWUSGPSEIQECA-HNNXBMFYSA-N 303.450 2.286 0 40 DEAB Cc1cnc(C(=O)OCc2nc(-c3cccs3)no2)cn1 7129032 ZHMPIFHUUHMTMQ-UHFFFAOYSA-N 302.315 2.254 0 40 DEAB c1nc(NCCCN2CCOCC2)c2c3c(sc2n1)CCC3 22828075 MYNJVFZMMDQWJG-UHFFFAOYSA-N 318.446 2.314 0 40 DEAB CCCOc1cc(C)ccc1NC(=O)N[C@@H](C)C(=O)NCC 47766018 BHERXVSBPVQQPV-LBPRGKRZSA-N 307.394 2.430 0 40 DEAB NS(=O)(=O)c1cc(Cl)c(Br)cc1Cl 54363388 KELHKFMHLQKVQE-UHFFFAOYSA-N 304.980 2.403 0 40 DEAB CCOc1nnc(CN2CCC[C@H]2Cn2cc(C)cn2)s1 71875973 FQEKNYPJMJARDD-LBPRGKRZSA-N 307.423 2.106 0 40 DEAB CCC(C)(C)NC(=O)c1ccc(NC(=O)N2CCOCC2)cc1 47810977 NDXQRFFIKABUBC-UHFFFAOYSA-N 319.405 2.469 0 40 DEAB CCN1CCN(C(=O)[C@H](C)Sc2nc3ccccc3[nH]2)CC1 25604879 HNDJRAGMSKBVJR-LBPRGKRZSA-N 318.446 2.208 0 40 DEAB Cc1cc(=O)oc2cc(OC[C@@H](O)CN3CCCCC3)ccc12 1522267 MKIFEBNUPXZJLM-AWEZNQCLSA-N 317.385 2.327 0 40 DEAB CC(C)Oc1ccc(NCC(=O)N2CCNC2=O)cc1Cl 25712481 LNNNZDSIQOJLMW-UHFFFAOYSA-N 311.769 2.091 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCN(c2ccncc2)CC1 57192225 JZEFDPZTEFLUGT-UHFFFAOYSA-N 323.400 2.013 0 40 DEAB CC[C@H](C)NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427462 VVGADOOMJDNLSD-AWEZNQCLSA-N 313.401 2.442 0 40 DEAB CCCO[C@@H]1CCCN(c2cc(=O)n3ccccc3n2)CC1 108350995 YDRQSCSGBCTYFR-CQSZACIVSA-N 301.390 2.480 0 40 DEAB CCOc1ccccc1C(=O)NC[C@H](C)CN1CCCC1=O 58024395 ANMXKNXPMVCVDJ-ZDUSSCGKSA-N 304.390 2.074 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@@H](Nc4cccnc4)CO3)C2)nc1 107226021 XGCQOACBAPQXMN-MSOLQXFVSA-N 310.401 2.322 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H](Cc1ccccc1)N(C)C 27584110 IGWKBBZGGKZIPN-INIZCTEOSA-N 315.417 2.123 0 40 DEAB CCS(=O)(=O)NCc1ccnc(Oc2ccc(F)cc2)c1 58190741 KUHLBULIVQRDPM-UHFFFAOYSA-N 310.350 2.452 0 40 DEAB CC[C@@H](C)NC(=O)CCNC(=O)c1csc(-c2ccco2)n1 58210639 OQZXZNOPPJIEMD-SNVBAGLBSA-N 321.402 2.438 0 40 DEAB COc1ccccc1CC(=O)Nc1ccc(-n2ccnc2)nc1 28092858 RYJFEZLHSABUQW-UHFFFAOYSA-N 308.341 2.457 0 40 DEAB Cc1cccc(OCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 59520219 MPPZAGPFYILTEA-HUUCEWRRSA-N 305.374 2.381 0 40 DEAB Cc1cc(C)c(CN2CCC[C@@H](CNS(C)(=O)=O)C2)c(C)c1 58440327 KTXCCORTPCMMRD-INIZCTEOSA-N 324.490 2.373 0 40 DEAB Cc1cc(C)c2c(=O)cc(C(=O)NCc3cnn(C)c3)oc2c1 27912301 DHLDEXPSTIIBEQ-UHFFFAOYSA-N 311.341 2.073 0 40 DEAB CCCCCOC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(CC(C)C)C(=O)[C@H]13)O2 2441029 JLQVNGXUFJICMN-ZXFNITATSA-N 321.417 2.158 0 40 DEAB Cc1cc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)no1 12863468 VSLVUMVXGNIRBK-LLVKDONJSA-N 315.329 2.126 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1 3415182 VWQLULFLMJJNPS-UHFFFAOYSA-N 319.338 2.071 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 29517560 HRQCGQIERBYERA-DZGCQCFKSA-N 300.402 2.135 0 40 DEAB CCNS(=O)(=O)c1c(F)cc(F)cc1Br 37022060 SKNHPFIBEAWIKZ-UHFFFAOYSA-N 300.124 2.026 0 40 DEAB C[C@H]1CCCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)C1 63452340 JQVUUGKFXFCZKL-JTQLQIEISA-N 314.382 2.069 0 40 DEAB Cc1ccc2ncnc(N3CCN(CC(C)(C)O)C[C@H]3C)c2c1 249064725 IEDUGODNHBJSMX-CQSZACIVSA-N 314.433 2.220 0 40 DEAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2C)C1=O 4060929 XAMGJFIALRERFN-ABAIWWIYSA-N 311.385 2.234 0 40 DEAB biogenic CCCNC(=O)COC(=O)c1ccc(OCC(C)C)c(OC)c1 4333347 TYJAHZWYZPUMFQ-UHFFFAOYSA-N 323.389 2.413 0 40 DEAB C[C@H]1C[C@@H]1CNC(=O)N1CCC(c2nnc3ccccn23)CC1 65412486 IBUHVCGNXVDRNX-GXTWGEPZSA-N 313.405 2.274 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)NCc1ccc(C)cc1 5351735 PIBFIIBAWNJMIE-ZDUSSCGKSA-N 310.419 2.089 0 40 DEAB COCCOc1cc(C)ccc1NC(=O)N1CCC[C@H](O)C1 65622050 GFPYZMUJYOMVTP-ZDUSSCGKSA-N 308.378 2.009 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)N(C)CCc3ccccn3)cc12 65607268 QDOJSWCOWIZEGX-UHFFFAOYSA-N 324.388 2.378 0 40 DEAB CC[C@@](C)(O)CNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 66158882 OOQOFEXDNMJEFT-QGZVFWFLSA-N 321.421 2.497 0 40 DEAB NC(=O)c1ccc(-c2nnn(CCCc3ccccc3)n2)cc1 69352176 AVATUICRIQUGGX-UHFFFAOYSA-N 307.357 2.072 0 40 DEAB Cc1noc(C2CCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)n1 71817156 JPNKGMOZFKEKDS-HNNXBMFYSA-N 313.357 2.088 0 40 DEAB Cc1ccc(OCc2nn3c(=O)c(C)nnc3s2)cc1C 8400832 FCQTYSNJNOEGSR-UHFFFAOYSA-N 302.359 2.050 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](n2cccn2)C1 69521624 YFPCXEUSDTULCT-CQSZACIVSA-N 302.378 2.284 0 40 DEAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)Nc1nncs1 69563870 BSRNHSZIAVOVNY-JTQLQIEISA-N 305.407 2.357 0 40 DEAB CCc1nc2n(n1)C[C@H](Nc1ncnc3ccsc13)CC2 69601259 XQVIARCQTXFTJA-SECBINFHSA-N 300.391 2.272 0 40 DEAB CCc1nnc2n1CCN(C(=O)c1csc3c1CCCC3)C2 69659238 HJYKTRCRLVBSLC-UHFFFAOYSA-N 316.430 2.437 0 40 DEAB CCc1ccsc1CNC(=O)CNC(=O)c1cccs1 83827801 MAYAOOFRQNLYCU-UHFFFAOYSA-N 308.428 2.418 0 40 DEAB O=C(NCc1ccc(F)cc1)C(=O)N[C@@H]1CCCc2occc21 84402963 QHVZVYFMCJYBPI-CQSZACIVSA-N 316.332 2.229 0 40 DEAB Cc1ccc(NCCCNC(=O)CC2(O)CCCCC2)nc1 84191671 CGCJOIKPLWORSE-UHFFFAOYSA-N 305.422 2.394 0 40 DEAB COC(=O)C[C@@H]1CN([C@@H](C)c2nc3ccccc3o2)CCO1 97047145 ODOBXHUPQPYLDS-NWDGAFQWSA-N 304.346 2.153 0 40 DEAB O=C(NCC(F)(F)F)N(CCO)[C@H]1CCc2ccccc21 72285546 BHZQKGRTKSPLSK-LBPRGKRZSA-N 302.296 2.240 0 40 DEAB CCN(CCO)C(=O)COc1ccc(Oc2ccccn2)cc1 97177169 CMBPJQNOBLEDEX-UHFFFAOYSA-N 316.357 2.094 0 40 DEAB Cc1cc(C)c(C(=O)NC[C@H](c2ccsc2)N(C)C)c(=O)[nH]1 72883660 WGEYLWWGWINVQD-CYBMUJFWSA-N 319.430 2.086 0 40 DEAB COc1ccnc(C(=O)NCCc2ccn(-c3ccccc3)n2)c1 95397765 KPFCBNVLTBQZOO-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB O=C(Cc1ccon1)NC[C@@H](O)c1c(Cl)cccc1Cl 95417454 UWTCICVEHWLGMV-LLVKDONJSA-N 315.156 2.374 0 40 DEAB CN1CC(=O)N[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 95419019 BVTFPBCPCUXTRC-KRWDZBQOSA-N 300.333 2.465 0 40 DEAB COc1c(Cl)cc(Cl)cc1CN1CC[C@H](C(N)=O)C1 95982241 VCXJETOZXWIRSV-QMMMGPOBSA-N 303.189 2.309 0 40 DEAB O=C(c1cccc2ccccc12)N1CCOC[C@H]1c1ncon1 95981433 DTOJIYDMHVGBMR-HNNXBMFYSA-N 309.325 2.437 0 40 DEAB CC(C)N1CCCN(C(=O)[C@H]2CCOc3ccccc32)CC1 89885197 DIESRBIUAAZKND-INIZCTEOSA-N 302.418 2.495 0 40 DEAB CCOC(=O)c1nn(C(C)C)cc1I 408716830 RLCCVTKLMXFIOL-UHFFFAOYSA-N 308.119 2.245 0 40 DEAB CCOC(=O)NC[C@@H]1c2ccccc2CCN1C(=O)OCC 3845811 KNHLASXASPSBHB-CQSZACIVSA-N 306.362 2.488 0 40 DEAB biogenic C[C@H]1OCc2cc(=O)n(CC(=O)Nc3ccc(Cl)cc3)nc21 72342371 GRUIXQMOVVXBTJ-SECBINFHSA-N 319.748 2.127 0 40 DEAB Cc1nn2cccnc2c1C(=O)OCCOc1ccccc1F 127745215 OIKVTDKNKIZMSW-UHFFFAOYSA-N 315.304 2.413 0 40 DEAB CCOCCCNC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 33088921 KCQDGVASVWMSMP-GFCCVEGCSA-N 314.385 2.275 0 40 DEAB Cc1nc(NC(=O)N[C@H](CO)C(C)C)ccc1Br 128788566 LGGHNQHJBKDRIB-SNVBAGLBSA-N 316.199 2.291 0 40 DEAB COC(=O)N1CC[C@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1 74030263 IETDPCSPPGLNIV-DOMZBBRYSA-N 322.380 2.351 0 40 DEAB CCN(CC)[C@H](C(N)=O)c1ccc(Br)cc1F 72557622 INMFFHDYZRBLGG-NSHDSACASA-N 303.175 2.456 0 40 DEAB CC[C@@H](CN[C@H]1CCCS(=O)(=O)C1)Oc1ccccc1C 183319377 ZOYMJQWQNYESBO-GJZGRUSLSA-N 311.447 2.319 0 40 DEAB O=C(CC1CC1)N1CCc2nc3ccc(Cl)cn3c(=O)c2C1 225780173 HWVLJBJLPPYCCH-UHFFFAOYSA-N 317.776 2.033 0 40 DEAB COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccco1 225486172 BNOKTFGDVCAXRL-OCCSQVGLSA-N 301.342 2.430 0 40 DEAB CCN1CN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC1=O 195580036 XSRIGLCTLQCVIV-SECBINFHSA-N 313.760 2.371 0 40 DEAB CC[C@@H](C)[C@H](CO)NC(=O)c1ccc2c(ccn2CCOC)c1 575444462 DCJLBGYSZODLKL-CJNGLKHVSA-N 318.417 2.425 0 40 DEAB CCc1ncnc(N2CC[C@H](c3nc(C4CC4)no3)C2)c1F 569269419 ZOCXDBWKPZHVPD-JTQLQIEISA-N 303.341 2.432 0 40 DEAB Cc1nn(CC(C)C)c(C)c1NC(=O)C(=O)NCc1ccco1 44892978 ZNPXNSGJWDDYLW-UHFFFAOYSA-N 318.377 2.004 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 381888711 CPOXMHNNERETIN-INIZCTEOSA-N 310.353 2.235 0 40 DEAB c1ccc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)nc1 96189103 KXIORFNYGHXJMT-INIZCTEOSA-N 312.417 2.337 0 40 DEAB CCn1ncc2c1[C@@H](COCC1CC1)CN(c1ccncn1)C2 96068324 ZGNMAWACCMMHSE-OAHLLOKOSA-N 313.405 2.223 0 40 DEAB COc1ccc(N2C[C@@]3(CCN(c4cnccn4)C3)CC2=O)cc1 96238977 BJQRXPQYQXGLQU-SFHVURJKSA-N 324.384 2.119 0 40 DEAB CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 96421507 VPEVIOBGWRHLJO-MWDXBVQZSA-N 323.481 2.173 0 40 DEAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccco2)cs1 96055629 MCTWIHWSFLIXCO-LSDHHAIUSA-N 317.414 2.420 0 40 DEAB CCSc1nc2c(c(=O)[nH]1)CN(C(=O)OC(C)(C)C)CC2 96531483 OBKTWLBTYNASCX-UHFFFAOYSA-N 311.407 2.175 0 40 DEAB CC[C@H](CC(=O)Nc1ccn(CCC(N)=O)n1)c1ccccc1 96409947 YEVUPWDQASVXEI-CYBMUJFWSA-N 314.389 2.281 0 40 DEAB O=C(NCC1CC1)[C@@H]1C[C@H]2OCCN(Cc3cccs3)[C@@H]2C1 96100367 VAQBWCKALPAAES-NUEKZKHPSA-N 320.458 2.254 0 40 DEAB Cc1noc([C@@H]2CO[C@@H]3CN(Cc4sccc4C)C[C@@H]32)n1 96215718 LNVGHWWPTKBSIZ-JHJVBQTASA-N 305.403 2.362 0 40 DEAB Cn1cc(CNC(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)cn1 97378876 QYAQJJPJKSYLDL-JKSUJKDBSA-N 314.389 2.140 0 40 DEAB Cc1ccc(C)c(NC(=O)CS[C@H]2NN[C@H]3C=CC=CN32)c1 96305914 GJARQDXHDWSJGW-ZBFHGGJFSA-N 316.430 2.078 0 40 DEAB COc1cc(CNC(=O)COCC2CC2)c2ccccc2n1 96425947 FSXQBLSUVLNHDJ-UHFFFAOYSA-N 300.358 2.286 0 40 DEAB CC[C@@H](NC(=O)CN1CCCNC1=O)C(C)(C)c1ccccc1 96423802 UWORJUYQECDANM-OAHLLOKOSA-N 317.433 2.274 0 40 DEAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)O 237482474 XTDWHYCYJMHNOL-DFAYQTQMSA-N 313.300 2.102 0 40 DEAB CNCC(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1OC 252478739 AUDYSBZVFAKOQN-SFHVURJKSA-N 314.385 2.129 0 40 DEAB O=C(c1ccccc1)N1C[C@H]2CC[C@@H](Nc3cccnn3)[C@H]2C1 257261234 LGHMCCALVMYLNT-OWCLPIDISA-N 308.385 2.439 0 40 DEAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1ccsc1C)C2 252016551 VZGXMDIKRYXBFX-BBRMVZONSA-N 306.431 2.435 0 40 DEAB CS(=O)(=O)Nc1ccccc1NC(=O)c1cccc(F)c1 24881818 UMFFYRNTKUYSIK-UHFFFAOYSA-N 308.334 2.450 0 40 DEAB COc1ccc(F)cc1C(=O)N1CCO[C@H](c2ccncc2)C1 257343554 ZTMAYHJKYNZSFO-INIZCTEOSA-N 316.332 2.443 0 40 DEAB c1cc(N2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)ncn1 257303577 SHTTXRDDKQNJJS-ZDUSSCGKSA-N 321.388 2.116 0 40 DEAB Cc1ccccc1CN1CC[C@]1(CCCc1cnccn1)C(N)=O 257315301 VASKTKUJKBLJRU-LJQANCHMSA-N 324.428 2.238 0 40 DEAB Nc1cccc([C@@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 257245805 IRDSBKMTCQIHPK-INIZCTEOSA-N 317.364 2.255 0 40 DEAB CCn1cc(-c2noc(CCNC(=O)OC(C)(C)C)n2)c(C)n1 575410705 BFGNZUDCXVAWPV-UHFFFAOYSA-N 321.381 2.329 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CCN(C[C@H]2CCCCO2)CC1 69420347 BAKVQWBCQZSXCS-UKRRQHHQSA-N 320.437 2.195 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc3cc(OC)ccc3n2)CCO1 47668355 MRCYNPKFCAGHCJ-CYBMUJFWSA-N 300.358 2.494 0 40 DEAB O=C1c2ccccc2C(=O)N1Cc1ccn(CC(F)(F)F)n1 85432403 BAAHCTXZSIZSFZ-UHFFFAOYSA-N 309.247 2.242 0 40 DEAB in-vitro COc1ccc([C@H](C)NC(=O)c2ccc(C)[nH]c2=O)cc1OC 75119561 ATKSNPOMDLWOHC-NSHDSACASA-N 316.357 2.192 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1cccn1C 76042803 YHSJBVZLBGMOIB-RHSMWYFYSA-N 302.422 2.243 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)NCc3ncccc3F)CCO2)o1 95438178 VDSWYHINJFBNCM-OAHLLOKOSA-N 319.336 2.405 0 40 DEAB CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cc(OC)ccn1 89981801 JUYPCMZPZMZJGQ-ZDUSSCGKSA-N 305.378 2.210 0 40 DEAB COc1ccc([C@@H]2SCC(=O)N2c2nncs2)c(OC)c1 5760725 XBAWRZXNWZOHJB-LBPRGKRZSA-N 323.399 2.334 0 40 DEAB CCCCNC(=O)[C@@H]1CC(c2cc(OC)ccc2OC)=NO1 5030687 KRRMBUMEORJLNI-HNNXBMFYSA-N 306.362 2.113 0 40 DEAB Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)cn1 156512548 WBYJHEHIERVOEA-GFCCVEGCSA-N 320.780 2.279 0 40 DEAB O=C(NC(=O)c1cc(Cl)nc(Cl)c1)NN1CCCCC1 163011 AFKDPINRWDORLY-UHFFFAOYSA-N 317.176 2.229 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NCC(=O)O)CC1 242522173 IKGJCWICARHVRA-SHTZXODSSA-N 320.389 2.240 0 40 DEAB O=c1c(=O)n(-c2ccc(F)c(F)c2)ccn1Cc1ccccc1 20489051 FICDEQYXHBAMLG-UHFFFAOYSA-N 314.291 2.326 0 40 DEAB O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCSCC1 299126637 BMXOQQBQPWSGBS-MRXNPFEDSA-N 304.459 2.474 0 40 DEAB CC(C)N(C)C[C@@H]1CN(C(=O)C2(F)CCC2)Cc2nccn2C1 1565542116 PPDMZOHJNZMVAO-AWEZNQCLSA-N 322.428 2.074 0 40 DEAB COc1ccc(CCNC(=O)COc2ccccc2)cc1OC 128605 DNEMTKWJGFHGBY-UHFFFAOYSA-N 315.369 2.442 0 40 DEAB COCCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(C)C 9195408 GQHODXXGSBGAOS-ZNMIVQPWSA-N 312.454 2.106 0 40 DEAB O=C(NCC(=O)N1CCc2ccccc21)c1ccncc1Cl 73071881 CLECBOOLUCFPLQ-UHFFFAOYSA-N 315.760 2.054 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2n[nH]c(-c3ccoc3)n2)c1 50006132 NJHZECFTKNDISW-UHFFFAOYSA-N 314.301 2.334 0 40 DEAB CN(c1ccc(CC(=O)O)cc1)S(=O)(=O)c1ccccc1 20227178 CPCUCQBTGYAWLG-UHFFFAOYSA-N 305.355 2.139 0 40 DEAB O=C(NCc1ccco1)C1CCN(c2ccc(Cl)nn2)CC1 40496892 BZRSWHQPFBLUBO-UHFFFAOYSA-N 320.780 2.256 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1nc(C(F)(F)F)cs1)C(C)C 32832690 SGNZECRDQYEZGB-MRVPVSSYSA-N 309.313 2.261 0 40 DEAB COc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)cc1 32912977 GHCYYRBFAMUXRZ-ZDUSSCGKSA-N 319.405 2.464 0 40 DEAB O=C1[C@@H]2[C@H](C(=O)N1c1cc(Cl)ccn1)[C@H]1C=C[C@H]2C12CC2 102987489 AJAREDDGADPXDS-WFFHOREQSA-N 300.745 2.437 0 40 DEAB CC(C)(C)c1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc1 97229509 JYVQKNSDLGDWBP-GXTWGEPZSA-N 309.431 2.199 0 40 DEAB Cn1ccnc(NCCOc2ccc(C(F)(F)F)cc2)c1=O 76062833 MGUAXSCSPHRICW-UHFFFAOYSA-N 313.279 2.290 0 40 DEAB CCn1cc(NC(=O)C(C)(C)NC(=O)Nc2ccccc2)cn1 76061076 VXMKSTOIVLQZPA-UHFFFAOYSA-N 315.377 2.442 0 40 DEAB COCCOc1ccc(NC(=O)NN2[C@H](C)CCC[C@H]2C)cn1 77721944 PLDJWIWRYPELBC-CHWSQXEVSA-N 322.409 2.406 0 40 DEAB Cc1ccc(N2CCC(Nc3ccc4nnc(C)n4n3)CC2)nc1 78305705 YPKDKMFVIDVRGW-UHFFFAOYSA-N 323.404 2.217 0 40 DEAB CC(C)C[C@@H](CO)NS(=O)(=O)Cc1ccccc1Cl 79060459 LIPAKGNZCNATLW-LBPRGKRZSA-N 305.827 2.166 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)N(C)CC(=O)N1CCCC1 53513046 QFBBKVCKHGPRLO-HNNXBMFYSA-N 317.433 2.272 0 40 DEAB CCOC(=O)c1ccc(CN[C@@H]2CCc3nc(C)cn3C2)o1 97034403 FVGBXYIRKZGVEQ-GFCCVEGCSA-N 303.362 2.066 0 40 DEAB CCN1CCC[C@H]1CNC[C@H](O)COc1c(C)ccc(C)c1C 22790015 XBKYGHLSVYDCGL-ROUUACIJSA-N 320.477 2.425 0 40 DEAB Cc1ncccc1C(=O)N[C@](C)(C(N)=O)c1cccc(Cl)c1 95428006 GVHWCENIPDJDEO-INIZCTEOSA-N 317.776 2.174 0 40 DEAB CC(=O)c1cccc(NC(=O)NCc2nc(C3CC3)no2)c1 47335043 QNLPTGPHLPYQGD-UHFFFAOYSA-N 300.318 2.471 0 40 DEAB Cc1c(CNC(=O)N[C@H](C)[C@H](C)Oc2ccccc2)cnn1C 97229998 CAAZVQXXTHKSOC-OCCSQVGLSA-N 316.405 2.384 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)Cn1ccccc1=O 24107006 OXGIYRXPPCBCRA-UHFFFAOYSA-N 322.368 2.290 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(N)s2)cc1 24628605 QAPQEQDMFCZAPB-ZETCQYMHSA-N 322.415 2.442 0 40 DEAB CCC(=O)Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2 1272807 HKYIKGUKDVZQPL-JTQLQIEISA-N 319.752 2.212 0 40 DEAB O=C1[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C(=O)N1SC(Cl)(Cl)Cl 104205629 HKXYLBOULKWTCY-KAZBKCHUSA-N 316.593 2.125 0 40 DEAB Cc1ccc2cccc(C(=O)NC[C@H](O)C3CCOCC3)c2n1 72294992 AMYWONFSXTWWDW-INIZCTEOSA-N 314.385 2.061 0 40 DEAB CC[C@H](C)n1nccc1NC(=O)c1n[nH]c2ccccc2c1=O 72287878 NSIREHTWERSPDD-JTQLQIEISA-N 311.345 2.343 0 40 DEAB Cc1ccc2c(n1)OCCN2Cc1cc(=O)n2c(C)cccc2n1 97109935 WWTAFLODMRAMKU-UHFFFAOYSA-N 322.368 2.105 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)N[C@H](C)c1ccco1 26980877 CFTSKSZXHGWOME-MRVPVSSYSA-N 315.372 2.167 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C)cn1 58155169 MBTXFLSUAJQSPO-UHFFFAOYSA-N 304.371 2.436 0 40 DEAB CCS[C@@H](C)c1noc(CN2CCCC[C@@H]2C(=O)OC)n1 84811764 IXSLUTHULRKFQW-WDEREUQCSA-N 313.423 2.411 0 40 DEAB COc1cccc(C(=O)COC(=O)c2ccc(O)cc2O)c1 10386770 MQDJZXAFIKWBLD-UHFFFAOYSA-N 302.282 2.146 0 40 DEAB C[C@@H](SCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 28202349 YYUDXKSALTVSHI-GFCCVEGCSA-N 306.431 2.032 0 40 DEAB Cc1nnnn1-c1cccc(NC(=O)NCCc2ccccc2)c1 45687909 QELDYWJBFADNMY-UHFFFAOYSA-N 322.372 2.335 0 40 DEAB COCc1nn(Cc2cnoc2-c2ccc(Cl)cc2)c(=O)o1 92856668 BAYINIVQEDULBH-UHFFFAOYSA-N 321.720 2.339 0 40 DEAB O=C(Nc1cccc(F)c1)c1c(O)c2c([nH]c1=O)CCCC2 9045095 PDYMMPRWMZSQHY-UHFFFAOYSA-N 302.305 2.351 0 40 DEAB COc1ccc(-n2nnnc2-c2cn(C)nc2C(F)(F)F)cc1 4060302 XYOVCFMNMPAVDQ-UHFFFAOYSA-N 324.266 2.090 0 40 DEAB CC[C@@H](C(=O)Nc1cccnc1)n1cnc2ccccc2c1=O 5205588 DLDAHPKYOOGTDZ-HNNXBMFYSA-N 308.341 2.381 0 40 DEAB Cc1csc([C@H]2CN(CC(=O)N(C)C3=CCCC3)CCO2)n1 65467332 FLFGZFGASOCDBJ-CQSZACIVSA-N 321.446 2.351 0 40 DEAB COCC[C@H](C)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 65587668 WDORNGMKSQXDPC-NSHDSACASA-N 305.378 2.125 0 40 DEAB Cc1ccccc1CNC(=O)CCc1nc2ccccc2c(=O)[nH]1 14116184 HZOGSJPBWVEOIZ-UHFFFAOYSA-N 321.380 2.481 0 40 DEAB O=S(=O)(Nc1ccon1)c1ccc(Br)c(F)c1 96005670 ILQYLGFRXMVWAI-UHFFFAOYSA-N 321.127 2.377 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)O 6603739 DICDFUDSMXXIJT-FZMZJTMJSA-N 308.378 2.036 0 40 DEAB biogenic C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)O 95389895 CZUSTCDLSCJLBG-JTQLQIEISA-N 307.394 2.308 0 40 DEAB COC[C@H]1CN(Cc2ccc(OC)c(OC)c2Cl)CCO1 93529589 CPHGEFCCDHBMEN-GFCCVEGCSA-N 315.797 2.204 0 40 DEAB Cc1cccc(OCCC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 7118118 XBADPHWRRFSDFN-UHFFFAOYSA-N 314.385 2.385 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(Cc1ccc(OC)cc1)CC2 93614143 NSVMRWNXWCNYGE-IAGOWNOFSA-N 305.418 2.447 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCc2cnc(N3CCCC3)nc2)c1 69463775 LUXKYSZNDKPHBF-LSDHHAIUSA-N 314.437 2.321 0 40 DEAB O=C(CN1CCC(CN2CCCC2)CC1)NC1CCCCC1 69531236 ROVZLDIPWBZMMG-UHFFFAOYSA-N 307.482 2.243 0 40 DEAB c1ccc(-n2ncc(CN3CCC[C@H]3Cn3cccn3)n2)cc1 71875667 DLZZUWFIHISUCA-KRWDZBQOSA-N 308.389 2.128 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1csc(C)n1 71870452 LYOFLFKQJNEIMD-GJZGRUSLSA-N 307.463 2.469 0 40 DEAB Cc1ccc(CN(C)CC(=O)NCc2ccc3c(c2)OCO3)o1 8705342 QMRZMYMAGILKDS-UHFFFAOYSA-N 316.357 2.065 0 40 DEAB C[C@H]1CN(CCCNC(=O)c2ccc(Cl)o2)C[C@H](C)O1 73689099 VPMCRHCTYBKVJM-QWRGUYRKSA-N 300.786 2.162 0 40 DEAB CCOc1cccc([C@@H](C)NC(=O)c2ccn(C)c(=O)c2)c1 95956756 FUYPWUWYNHCQNZ-GFCCVEGCSA-N 300.358 2.275 0 40 DEAB COc1ccc(N(C)C(=O)[C@@H](N)Cc2ccccc2)cc1F 95971161 OXKRJJOCGBGZNC-HNNXBMFYSA-N 302.349 2.367 0 40 DEAB C[C@@H](CNC(=O)N(C)Cc1ccc(Cl)c(F)c1)[S@](C)=O 95977570 SONWPZSWUOYANT-GWNMQOMSSA-N 320.817 2.388 0 40 DEAB CC(C)(O)CSCCNC(=O)N1CC[C@@H]2CCCC[C@H]21 74761354 GJIPZFNPCDNVQH-QWHCGFSZSA-N 300.468 2.465 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1CO)c1cccc(-n2cccn2)c1 74939510 ITYZHXXNLBHEEU-XJKSGUPXSA-N 314.389 2.100 0 40 DEAB Cc1ncsc1CNC(=O)N1CC[C@H](Oc2cccnc2)C1 89565532 QZLCMVZHRQGPHW-ZDUSSCGKSA-N 318.402 2.209 0 40 DEAB CCn1cnnc1CCNC(=O)C[C@@H](C)c1ccccc1C 75140081 RNQPJEPRPIHWAU-CQSZACIVSA-N 300.406 2.459 0 40 DEAB CCC[C@](C)(CO)NC(=O)Nc1ccc2oc(=O)ccc2c1 89949445 JKEONYGJVZNNRJ-MRXNPFEDSA-N 304.346 2.466 0 40 DEAB CCn1c([C@@H]2CCCN2C(=O)c2c[nH]nn2)nc2ccccc21 170634485 VEQUDVMTRLIIQQ-AWEZNQCLSA-N 310.361 2.152 0 40 DEAB C[C@@H]1C=CC[C@H]2C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408640955 BSLWHTUUKRKFSE-WQAKAFBOSA-N 318.760 2.182 0 40 DEAB O=C(C1CCCCC1)N1CCN(Cc2nnc(C3CC3)o2)CC1 521429154 DECNTYZQNDPWAO-UHFFFAOYSA-N 318.421 2.172 0 40 DEAB CNC(=O)c1ccc(N[C@H](C)[C@H](O)c2ccc(Cl)cc2)nn1 74769001 KNLFKBHKAZNOKQ-OTYXRUKQSA-N 320.780 2.024 0 40 DEAB O=C(/C=C/c1ccccc1)N1CC[C@@H](Oc2cnsn2)C1 675008016 NGFHLXBIMKNVEN-KTRBRXNASA-N 301.371 2.231 0 40 DEAB O=C1O[C@H]2C[C@@H]1N(C(=O)C1c3ccccc3Oc3ccccc31)C2 75162373 PBMOAXFCCGPPLQ-FZMZJTMJSA-N 321.332 2.451 0 40 DEAB O=C(O)CN1N=C(c2ccncc2)C[C@H]1Cc1ccc(F)cc1 71863887 VEDAQAUNRQWMQU-OAHLLOKOSA-N 313.332 2.326 0 40 DEAB c1cncc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)c1 72355432 ZRMXNPZJYLUMRQ-MRXNPFEDSA-N 320.400 2.437 0 40 DEAB CCOC(=O)c1ccc(NC(=O)NCCCOCCOC)cc1 32905359 RWRHFSMAGMDCSF-UHFFFAOYSA-N 324.377 2.038 0 40 DEAB c1cncc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)c1 72350554 LHAJDUSSJFCIIH-MRXNPFEDSA-N 320.400 2.437 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@@H]2c2ccc(F)cc2)cc1 218561780 LQWDJTHPWRVSPY-JYJNAYRXSA-N 305.374 2.401 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cccnc1C(F)(F)F 194733248 IXMBYDLFSUGXGV-CHWSQXEVSA-N 322.286 2.489 0 40 DEAB Cc1cccc(OCC(=O)N2CCC[C@H](c3nc(C)no3)C2)c1 41122144 CMYXYYHEGFIMHG-AWEZNQCLSA-N 315.373 2.471 0 40 DEAB O=C(NCc1cnn2c1CCCC2)c1cc(-c2ccco2)n[nH]1 225608587 IYOSVXNEHNQFHT-UHFFFAOYSA-N 311.345 2.133 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)O)CC2)cc1 49923613 MMEWKEZKCHUJPH-UHFFFAOYSA-N 311.403 2.261 0 40 DEAB CN1CC(=O)N(C(=O)c2ccc(F)cc2)c2ccccc2C1=O 40385898 OUUUXNDZFXCEFE-UHFFFAOYSA-N 312.300 2.085 0 40 DEAB O=C(NCC[C@@H](O)c1ccco1)c1cc(-c2ccco2)on1 77110953 ZGJNZMMPGAGMMX-LLVKDONJSA-N 302.286 2.381 0 40 DEAB COc1ccc(C)cc1S(=O)(=O)Nc1ccn2nccc2c1 225596215 QSKGOTAGEQSZTA-UHFFFAOYSA-N 317.370 2.452 0 40 DEAB CCC1(CC)CN([C@@H](C)c2nc(C)cc(O)n2)CC[S@@]1=O 192788420 SBDVGJGAZYUHMT-QKVFXAPYSA-N 311.451 2.175 0 40 DEAB CC1(C)CCCN[C@H]1C(=O)Nc1n[nH]c2c(Cl)cccc12 332231768 DTWCHTJQRWOAOO-LBPRGKRZSA-N 306.797 2.933 0 40 DEAB Cc1cc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n(C)n1 96192650 OOKMSXDZYYITRJ-MRXNPFEDSA-N 316.336 2.389 0 40 DEAB O=c1[nH]c(-c2ccc(Br)cc2)nc2nccnc12 142782797 NNIVOJXVBJQERE-UHFFFAOYSA-N 303.119 2.143 0 40 DEAB O=C1[C@H]2CN(Cc3ccc(F)cc3)C[C@H]2CN1c1cccnc1 96245190 NKAKCNHTGBSJTJ-YOEHRIQHSA-N 311.360 2.316 0 40 DEAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1cc(F)c(F)c(F)c1 96450774 OFHPMEKYJLLXPN-SMDDNHRTSA-N 319.348 2.480 0 40 DEAB CC(C)CCC(=O)N1CCN(Cc2cnccc2N(C)C)CC1 97377023 HLRWFLXKOCWALB-UHFFFAOYSA-N 318.465 2.228 0 40 DEAB COCc1ncn2c1CN(C(=O)c1ccc3ccccc3n1)CC2 96260125 ZBGHVGZAOUKMJC-UHFFFAOYSA-N 322.368 2.234 0 40 DEAB O=C(C1=CCCC1)N1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@H]21 96187113 BLVINKHJKHRDIX-IKGGRYGDSA-N 314.385 2.329 0 40 DEAB Cc1c(C(=O)NCc2nnc(C(C)C)n2C)cnn1C(C)(C)C 97236769 NHJQROGIBVKYMK-UHFFFAOYSA-N 318.425 2.128 0 40 DEAB Cn1cccc1C(=O)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@H]21 96082796 TYPPIKXLJSXIRH-USXIJHARSA-N 318.417 2.071 0 40 DEAB O=C(NC[C@H](CCO)c1ccccc1)[C@H]1COc2ccccc21 96461765 LZPVKAQZFUVDQH-RDJZCZTQSA-N 311.381 2.445 0 40 DEAB CCn1nccc1-c1cccc([C@H]2CCCN2S(C)(=O)=O)n1 257307016 SWWUKXUEEBIJEO-OAHLLOKOSA-N 320.418 2.062 0 40 DEAB CC(C)CN1CCC[C@@]1(C(=O)N1CCCC1)c1cnccn1 257204813 AWJQOKCHRPMVJF-KRWDZBQOSA-N 302.422 2.046 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)nc3O)C2)n1 257313988 UUYBCLMJBYDJJT-GFCCVEGCSA-N 300.362 2.147 0 40 DEAB Cc1ccc2nc(C(=O)N3CCO[C@@H](c4ccncc4)C3)cn2c1 257253846 KAMFNIQMBFMMFM-MRXNPFEDSA-N 322.368 2.251 0 40 DEAB Fc1ccc(OCCN2CCO[C@H](c3cnccn3)C2)cc1 257324972 WQZHOPAQSCTNNI-INIZCTEOSA-N 303.337 2.068 0 40 DEAB O=C1N(c2ncccn2)C[C@]12CCCN(CCc1ccccc1)C2 585099288 BMUVLQGITIIILF-LJQANCHMSA-N 322.412 2.148 0 40 DEAB O=C(CCc1ccccc1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549748613 YAWXMJACMHHMLP-GFCCVEGCSA-N 302.353 2.197 0 40 DEAB O=C(C[C@H]1C=CCC1)N1CCN(Cc2cn3ccccc3n2)CC1 53093760 IYSCTMQPGPDFFB-INIZCTEOSA-N 324.428 2.335 0 40 DEAB O=C(NCCCOC1CCOCC1)N1C[C@@H]2CC=CC[C@H]2C1 74543361 SDMOREAOVVCXTP-GJZGRUSLSA-N 308.422 2.180 0 40 DEAB O=C(NCc1nc[nH]n1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 75136905 PGTMZJPPJPBSHH-WDEREUQCSA-N 310.279 2.243 0 40 DEAB C[C@H](NC(=O)NCc1ccccc1)c1nc(-c2ccncc2)n[nH]1 5001914 DYVZXWFXWJHGPG-LBPRGKRZSA-N 322.372 2.427 0 40 DEAB Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(CNC3CC3)cc12 12325242 SAAAJGVHGAFDPD-UHFFFAOYSA-N 312.348 2.413 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N[C@@H]1CCCC[C@H]1C 16313899 UJIPLBPLEBTREI-ZWNOBZJWSA-N 321.373 2.108 0 40 DEAB CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 19019575 YQRNIBMIBMHEHR-DOTOQJQBSA-N 322.355 2.340 0 40 DEAB Cn1cnc(CN2CCC(c3nn(C)c4ncccc34)CC2)c1 643912814 BLAOGDSSIUZJNP-UHFFFAOYSA-N 310.405 2.081 0 40 DEAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCC[C@@H](n2cncn2)C1 571097221 QBMWKPFRTOQJJB-KGLIPLIRSA-N 320.780 2.394 0 40 DEAB O=C(O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1F 13073759 TVMQMTHQSPBXJO-UHFFFAOYSA-N 301.339 2.135 0 40 DEAB Cc1ncnc(OCC2CCN(c3ncc(F)cn3)CC2)c1C 1565519758 ZNKBGAFWSQKMOR-UHFFFAOYSA-N 317.368 2.318 0 40 DEAB O=C1[C@@H]2N=NN(c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 101277660 AVMKASCZLYCTCM-ZIAGYGMSSA-N 310.288 2.324 0 40 DEAB CCSc1nnc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)s1 205008 BNSAWHKPOCOZKJ-JGVFFNPUSA-N 315.420 2.480 0 40 DEAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O 243736 XNBHYAKTLQUTAL-UHFFFAOYSA-N 311.293 2.282 0 40 DEAB biogenic Cc1ccc(NC[C@@H](O)CN2C(=O)c3ccccc3C2=O)cc1 384478 WHBVXCPETPNWGY-CQSZACIVSA-N 310.353 2.064 0 40 DEAB Cc1noc(C(C)C)c1C(=O)Oc1ccc(-n2cnnn2)cc1 32738141 MAHPJSJICPYYPO-UHFFFAOYSA-N 313.317 2.301 0 40 DEAB Cc1cc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)no1 21442188 QLDSDWDLRUIIJD-UHFFFAOYSA-N 323.299 2.410 0 40 DEAB C[C@@H](NC(=O)c1ccc[nH]1)c1ccc(S(C)(=O)=O)c(F)c1 76041890 REGMXAYFNOVKTC-SECBINFHSA-N 310.350 2.048 0 40 DEAB CCOC(=O)c1cnc2c(-c3ccccc3OC)cnn2c1N 1105928 DIIHKYHESCKGIA-UHFFFAOYSA-N 312.329 2.164 0 40 DEAB NC(=O)c1cccc(Cn2cnc3c(oc4ccccc43)c2=O)c1 47438849 DEFRNPNSQUIGRN-UHFFFAOYSA-N 319.320 2.290 0 40 DEAB CC(C)c1nc(CN(C)[C@H]2CCN(CC(F)(F)F)C2)no1 78891691 QQKSPHDFNASGDO-JTQLQIEISA-N 306.332 2.261 0 40 DEAB Cc1csc(=O)n1CCCC(=O)n1cccc/c1=N\C(C)C 23198087 MFJDSTFZTMKETM-SAPNQHFASA-N 319.430 2.449 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)no1 42749384 LZTMRXODWKXLJC-ZDUSSCGKSA-N 315.377 2.278 0 40 DEAB Cc1ccc(-n2nc(CSc3nnnn3C)cc2O)cc1C 9937176 OOSAOCUSSUBOOU-UHFFFAOYSA-N 316.390 2.011 0 40 DEAB Cc1ccc(CNC(=O)N[C@H](C)c2nc[nH]n2)c(OC(C)C)c1 97049489 VALTYPBFACKTGW-GFCCVEGCSA-N 317.393 2.461 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1=O 55864289 YFUZEHJMCYYXES-DZGCQCFKSA-N 304.365 2.358 0 40 DEAB CCCOC(=O)c1ccc(NC(=O)NC[C@@H]2CCOC2)cc1 48020568 CSPWIBFAJCPYQV-LBPRGKRZSA-N 306.362 2.411 0 40 DEAB O=C(NCCc1nnc2ccccn12)N1CC[C@@H]1c1ccccc1 43882186 ICTCDHJNCIDQMM-OAHLLOKOSA-N 321.384 2.428 0 40 DEAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(-n2cnnn2)cc1 12695488 ZEDFSFSXGGCIFI-UHFFFAOYSA-N 305.341 2.403 0 40 DEAB CC[C@H](C)C(=O)N1CCCc2ccc(S(=O)(=O)N(C)C)cc21 72291469 MTPFIPITRXSEHF-LBPRGKRZSA-N 324.446 2.262 0 40 DEAB CCN(CC)c1ccc(CNC(=O)[C@H](C)n2cccn2)cn1 48277022 AGDNBAIIAVQGHU-ZDUSSCGKSA-N 301.394 2.002 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)CCc2cscn2)no1 72299189 ZYNJGKBUAGBUBR-NSHDSACASA-N 306.391 2.385 0 40 DEAB O=C1CCCC[C@@H]1Sc1n[nH]c(=O)n1CCc1ccccc1 26336380 JZZDFFHGAOZKEB-AWEZNQCLSA-N 317.414 2.418 0 40 DEAB COc1ccc(C(=O)[C@@H](C)Sc2nnnn2C2CC2)cc1 12795267 QRPKMDUMVOUZNA-SECBINFHSA-N 304.375 2.380 0 40 DEAB NC(=O)CSc1ccccc1C(=O)NCCc1ccccc1 44874492 YOSLZAGEFYZORV-UHFFFAOYSA-N 314.410 2.237 0 40 DEAB Cc1cnn([C@@H](C)[C@H](C)NCC(=O)N(C)Cc2cccs2)c1 72269931 YFTAVNPEKKCXIB-KBPBESRZSA-N 320.462 2.451 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 3357412 MMUQBYDCRYVLOU-UHFFFAOYSA-N 315.394 2.289 0 40 DEAB Cc1nnc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1C 44945250 IYGAQFMOEPADIU-AWEZNQCLSA-N 314.389 2.232 0 40 DEAB C[C@H]1COCCN1C(=O)COCc1nc2ccccc2s1 44912552 ADGJKQQWHNSXNO-NSHDSACASA-N 306.387 2.060 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@H](c1ccsc1)N(C)C 58393358 HTBASPHJRXYBBV-OAHLLOKOSA-N 321.494 2.249 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)no1 72231994 IBPWODCIDKDXSQ-LLVKDONJSA-N 306.391 2.092 0 40 DEAB COCCOCCC(=O)N[C@H]1CCOc2c(Cl)cccc21 58158232 KJBNQKUZZKSRPM-ZDUSSCGKSA-N 313.781 2.333 0 40 DEAB CC(C)CN(CC(F)(F)F)C(=O)CN(C)C(=O)c1ccco1 58910365 MUMSPCGLIIDTOV-UHFFFAOYSA-N 320.311 2.399 0 40 DEAB COC(=O)c1ccc(COc2ccc(S(C)(=O)=O)cc2)cc1 48361614 IWRLEUURMOBVDX-UHFFFAOYSA-N 320.366 2.456 0 40 DEAB COc1ccccc1N1C[C@@H](C(=O)NC2CCCCC2)CC1=O 3437220 UCTFHLHDXHQAMA-ZDUSSCGKSA-N 316.401 2.497 0 40 DEAB Cc1nnc(CN2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)o1 84291498 OCZIYLDMXKMFRL-KBPBESRZSA-N 322.453 2.089 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCc3nccn3C2)c2ccccc2n1 97197508 FZQZNGLYEHTZQI-CYBMUJFWSA-N 306.369 2.485 0 40 DEAB CCc1nn(C)c(OC)c1CNC(=O)N1CCc2ccccc21 93201864 GYWKBXSOZHLVCO-UHFFFAOYSA-N 314.389 2.263 0 40 DEAB Cc1cc(C(=O)NCCCCN(C)c2ccccc2)n(C)n1 64772651 YFZJASNZZPMGIB-UHFFFAOYSA-N 300.406 2.375 0 40 DEAB O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NC1CCCCCC1 14075200 MUKXXKFGRPOEAN-HUUCEWRRSA-N 320.433 2.391 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)Nc1cccc(OC)c1 5351249 LVHUBROGEBVBLK-GFCCVEGCSA-N 312.391 2.111 0 40 DEAB CC(=O)c1ccc(OCCCC(=O)Nc2ccn(C)n2)cc1 14198214 NCVPJBRDDMPNCP-UHFFFAOYSA-N 301.346 2.420 0 40 DEAB C[C@H](NCC(=O)NCc1ccco1)[C@H]1COc2ccccc21 97112606 ATXZLFKWHZBQMZ-SWLSCSKDSA-N 300.358 2.050 0 40 DEAB Cc1cc(C)nc(NC(=O)N2CCN(c3ccccn3)CC2)c1 97142931 CJMFXRFXQYGVAK-UHFFFAOYSA-N 311.389 2.448 0 40 DEAB C[C@@H](NCCc1cncn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 97164422 KLUJDJXYVWULPU-UKRRQHHQSA-N 322.453 2.340 0 40 DEAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NCc1ccco1 4836257 PQKZJMTUHPSTOQ-VMPITWQZSA-N 303.289 2.292 0 40 DEAB CCOc1cc(NC(=O)NCCNC(=O)C(C)C)ccc1C 67347719 MTAWFADDOALMIB-UHFFFAOYSA-N 307.394 2.287 0 40 DEAB O=S(=O)(NCc1ccnc(OCC2CC2)c1)c1cccs1 67405198 KQAPYTLDFGFTPU-UHFFFAOYSA-N 324.427 2.410 0 40 DEAB Cc1noc(C)c1CNC(=O)[C@H]1CCCN(Cc2ccco2)C1 67955488 SXAGDDWTWZDVHA-AWEZNQCLSA-N 317.389 2.413 0 40 DEAB CNC(=O)NC(=O)COc1ccc2oc3c(c2c1)CCCC3 7985554 GNOOWMFODFDCBO-UHFFFAOYSA-N 302.330 2.146 0 40 DEAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O)c(O)c1 20143749 UWSCVQUWTQCQHH-UHFFFAOYSA-N 301.298 2.416 0 40 DEAB c1ccn2cc(CN3CCN(Cc4cscn4)CC3)nc2c1 69415480 ATXWNYNXBJSSOI-UHFFFAOYSA-N 313.430 2.109 0 40 DEAB COc1c(Cl)cc(NC(=O)[C@H]2CCC(=O)NC2)cc1Cl 69414604 KAFQLRUTCBDIIR-ZETCQYMHSA-N 317.172 2.467 0 40 DEAB Cc1ccccc1CC(C)(C)NC(=O)Cc1nc2ncccn2n1 69418432 QZNOPRCYLIAXAX-UHFFFAOYSA-N 323.400 2.113 0 40 DEAB C[C@H]1CN(S(=O)(=O)NC2CCCCCCC2)C[C@H](C)O1 71826184 UCZBEGISZZFBLU-STQMWFEESA-N 304.456 2.043 0 40 DEAB CC[C@](C)(NC(=O)c1ccc(N2CCCC2)c(F)c1)C(=O)OC 69583933 RLJIFHOBOQBMJP-KRWDZBQOSA-N 322.380 2.497 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)cn1 71830738 UJJANVFEISHPHP-QLFBSQMISA-N 302.422 2.262 0 40 DEAB COc1ccc(-c2nsc(NC(=O)[C@H]3CCOC3)n2)cc1 69657961 DGCXGYZJPBRGQT-JTQLQIEISA-N 305.359 2.189 0 40 DEAB O=C(/C=C/c1ccco1)NCC[S@@](=O)Cc1ccccc1 71893424 OUTZTXVHRQPYHN-SHBDEGQCSA-N 303.383 2.358 0 40 DEAB CC(=O)NCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 17795259 YZSDFSUYZAYMHG-UHFFFAOYSA-N 314.410 2.380 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)OCCO[C@@H]2CCCC[C@H]2C)c1C 71850397 FLZYWEIWRNLKSJ-BXUZGUMPSA-N 322.405 2.149 0 40 DEAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COc2ccc3c(c2)OCO3)C1 37530383 MBGJDHGOOZFDKI-MJBXVCDLSA-N 307.390 2.133 0 40 DEAB COc1ccc(CN[C@@H](C)C(=O)N2CCCC[C@H]2C)cc1O 71924574 WGRWMMZTUQWHHR-OLZOCXBDSA-N 306.406 2.280 0 40 DEAB CC(C)(C)[C@H](CO)Nc1ncnc2c1nnn2-c1ccccc1 84169137 IRKNIBQTDWXGGF-LBPRGKRZSA-N 312.377 2.029 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc3nccnc13)CC(=O)O2 95472869 WHRASDPUYLGTTN-LLVKDONJSA-N 307.309 2.068 0 40 DEAB CC[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)N1CCCC1=O 95429917 KGWMCCCURCWNBG-INIZCTEOSA-N 313.401 2.228 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)c2ccc(=O)n(C)c2)C12CCCCC2 98016451 BQHZKXFMOJURTM-CABCVRRESA-N 318.417 2.243 0 40 DEAB C[C@@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1C=C[C@H](CO)C1 95976835 UGLJQVOZQUDZDZ-HLLBOEOZSA-N 314.429 2.271 0 40 DEAB COC(=O)c1ccc(CN2C[C@@H]3[C@H](C2)CN2CCCC[C@H]32)s1 89406849 TXGHUHMIVOIEGD-BPLDGKMQSA-N 320.458 2.451 0 40 DEAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)c1ccc(=O)n(C)c1 89930030 RBYRTNKEAVPQON-CYBMUJFWSA-N 311.385 2.261 0 40 DEAB Cn1ccc(-c2cc(C(=O)N[C@@H]3CCO[C@H](C4CC4)C3)n[nH]2)c1 553556337 JAGMMSYVZOTBNM-CJNGLKHVSA-N 314.389 2.103 0 40 DEAB Cc1nccn1CCC(=O)NCCc1ccc(N(C)C)cc1 36753121 NNEBXXVUOUNQIX-UHFFFAOYSA-N 300.406 2.007 0 40 DEAB CCN1CCCN(C(=O)c2cc(C)nc3onc(C)c23)CC1 79333125 DIKBNLKINISRCY-UHFFFAOYSA-N 302.378 2.007 0 40 DEAB C[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)c1ccsc1 74979269 LGXJXSJWDIMNAT-VXGBXAGGSA-N 302.465 2.418 0 40 DEAB CCOc1ccc(CC(=O)N2CCC(n3nccn3)CC2)cc1 238827432 FBYKZTMYRHEJJR-UHFFFAOYSA-N 314.389 2.083 0 40 DEAB CC(C)Cn1cc(C(=O)N2CCc3ccccc3[C@@H]2CO)cn1 185675887 ASCAWNUPBPXQNN-KRWDZBQOSA-N 313.401 2.271 0 40 DEAB C[C@@H]1CC=CC[C@H]1COC(=O)c1cn(Cc2ccccn2)nn1 76906123 ZPAUQRJHOOORKF-KGLIPLIRSA-N 312.373 2.481 0 40 DEAB O=C(CCc1cc(Cl)no1)N1CCO[C@H](C(F)(F)F)C1 71750386 RVVBRXJHRPGCKO-QMMMGPOBSA-N 312.675 2.050 0 40 DEAB N=c1nc(CN2CC3(CCCCC3)[C@H]2c2ccccc2)[nH]c(=N)[nH]1 564054484 XJUKUJIKUUCFNB-OAHLLOKOSA-N 324.432 2.204 0 40 DEAB CCO[C@@](C)(C(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1 225722643 SYYBUQRMVXNPCP-MRXNPFEDSA-N 307.346 2.294 0 40 DEAB C[C@H]1C[C@@H](C)CN(Cc2ccc(S(=O)(=O)N(C)C)o2)C1 47331031 URLXUAYGKYDELI-TXEJJXNPSA-N 300.424 2.008 0 40 DEAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccco1 44836811 BGUVCSOOQYUTSB-UHFFFAOYSA-N 314.253 2.415 0 40 DEAB CO[C@H](C)CS(=O)(=O)N1c2ccccc2N(C)CC[C@H]1C 195372747 RBBVPZKHQURKSA-CHWSQXEVSA-N 312.435 2.086 0 40 DEAB COC1CCN(CCNC(=O)N[C@H]2CCC[C@H](C3CC3)C2)CC1 80152781 GBZJXYOFXWSGBL-HOTGVXAUSA-N 323.481 2.365 0 40 DEAB F[C@@]1(c2cccc(Cl)c2)CCN(c2nccn3nnnc23)C1 575603730 WJKMDTUXDKPWTH-AWEZNQCLSA-N 318.743 2.248 0 40 DEAB C[C@H](CN1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 195573004 DZQCEGIOOTZOLN-BXUZGUMPSA-N 316.854 2.067 0 40 DEAB CC(C)(CNC1CCN(c2ccc(Cl)cc2)CC1)C(N)=O 195557421 ICUKJAFFFMSXPR-UHFFFAOYSA-N 309.841 2.410 0 40 DEAB Cn1nc(OCCCC(=O)Nc2ccon2)c2ccccc21 226865311 HZTUFHSDNKOMBE-UHFFFAOYSA-N 300.318 2.359 0 40 DEAB CN(Cc1ccc([S@@](C)=O)cc1)Cc1nc(C(=O)O)cs1 576643123 QGKALLXDGSLLOQ-OAQYLSRUSA-N 324.427 2.211 0 40 DEAB O=C(c1ccsc1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 96053608 MAIGAOCNOMEOAB-DZGCQCFKSA-N 312.394 2.483 0 40 DEAB Cc1ncsc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 97379607 PCIUKOAAIFJBHV-UHFFFAOYSA-N 313.386 2.209 0 40 DEAB CCOc1ncnc2c1CCN(C(=O)c1ccc(C)o1)CC2 96058770 AVKUFEZDADPOGW-UHFFFAOYSA-N 301.346 2.018 0 40 DEAB C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCC[C@H](C2CC2)C1 96474930 WWTQSGYOEBDFAQ-XBFCOCLRSA-N 316.467 2.078 0 40 DEAB CN(CC1(c2ccc(Br)cc2)CC1)S(C)(=O)=O 96421268 VWPRUWUKOAYBTF-UHFFFAOYSA-N 318.236 2.372 0 40 DEAB O=C(OCc1nncn1C1CC1)c1c[nH]nc1-c1ccccc1 97380200 QBHBYLZLRZDTET-UHFFFAOYSA-N 309.329 2.360 0 40 DEAB O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(CCO)CC2 96244758 VBEVTIKTNCLADU-QGZVFWFLSA-N 314.429 2.054 0 40 DEAB COc1ccccc1NCC(=O)N(C[C@H]1CCOC1)C1CC1 96405895 IMYBDBGUAXCIHK-CYBMUJFWSA-N 304.390 2.135 0 40 DEAB c1cnc(N2CCC[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 96216860 JCUBFRWWRNAFPE-SFHVURJKSA-N 309.417 2.364 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccncc1Cl 91449022 AHQLIBVFQOCCHI-ZDUSSCGKSA-N 304.733 2.161 0 40 DEAB CSC(C)(C)CNC(=O)NCCn1c(=O)oc2ccccc21 96439977 CUUHBAMFQPISTB-UHFFFAOYSA-N 323.418 2.035 0 40 DEAB O=C(c1cccc2cccnc12)N1CCO[C@@H](c2cnccn2)C1 257330835 XQFVXVJBQJCABT-MRXNPFEDSA-N 320.352 2.239 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2C(=O)Cc2ccsc2)O1 252484230 FSDVEGNHFUORFX-ZRJCITRHSA-N 323.414 2.001 0 40 DEAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccccc1F 257270458 MUHVTIIZXDOZGA-BRWVUGGUSA-N 320.408 2.323 0 40 DEAB CC(C)c1nnc(CCC(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)o1 257345045 ZZSPAKJHBVHXGL-XNJGSVPQSA-N 321.421 2.278 0 40 DEAB Cc1cc(C(=O)NCc2nccnc2-c2cnn(C)c2)c(C)o1 575606580 MWVOXTLHRCABPM-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)[C@@H]1CCCO1 27898860 YAFCLAUCOVVMSA-XQQFMLRXSA-N 312.410 2.070 0 40 DEAB CN1C(=O)N(C[C@@H](O)c2ccccc2F)C(=O)C12CCCCC2 28913130 IDZYZJUNXUKLNK-CQSZACIVSA-N 320.364 2.456 0 40 DEAB Cc1cc(C)nc(NC2CCN(C(=O)c3ccoc3)CC2)n1 29523919 MAAQNEAEJJJYDT-UHFFFAOYSA-N 300.362 2.403 0 40 DEAB CCc1nc(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)no1 71900662 BNUFXSKMIDHMRF-ZDUSSCGKSA-N 318.352 2.008 0 40 DEAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](C(=O)O)C1 37436004 RKFYXZLLQZEWKE-WDEREUQCSA-N 311.765 2.431 0 40 DEAB CC(C)(C)OC(=O)N1CCn2nc(Br)cc2C1 91303126 HGPLEIGGSVUWAZ-UHFFFAOYSA-N 302.172 2.396 0 40 DEAB CS[C@H]1CCC[C@H]1NC(=O)N(CCO)Cc1ccccc1 83990497 CIZNGNGWOYYYOB-CABCVRRESA-N 308.447 2.475 0 40 DEAB O=S(=O)(N[C@@H]1CCC[C@H](O)C1)c1ccc(F)c(Cl)c1 75156905 DKUOKMIHBSOLLL-BDAKNGLRSA-N 307.774 2.061 0 40 DEAB COc1cccc(CC(=O)N2CCCc3c(C(N)=O)cccc32)c1 40134117 GTOSNKFHBCEVCP-UHFFFAOYSA-N 324.380 2.316 0 40 DEAB C1CO[C@H](CN(Cc2nc(C3CC3)no2)C[C@@H]2CCCO2)C1 40540253 ZRVNQJACSJEJON-KBPBESRZSA-N 307.394 2.107 0 40 DEAB O=C(c1cc[nH]n1)N1CCC(c2ccc3cccnc3n2)CC1 655266094 XGCNRFPRKWSCJA-UHFFFAOYSA-N 307.357 2.373 0 40 DEAB COc1ccccc1NC(=O)NCc1nc(-c2ccncc2)n[nH]1 13565329 ZSVVIJIGXZZDPY-UHFFFAOYSA-N 324.344 2.197 0 40 DEAB C[C@H]1CN(Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C[C@H](C)O1 15375771 HRNJXRHLFQNOFD-UWVGGRQHSA-N 307.781 2.186 0 40 DEAB Cc1cccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)c1 19946419 ZZOYEUPAEZMDPG-UHFFFAOYSA-N 324.446 2.210 0 40 DEAB O=C(N[C@@H]1CC[C@H]2OCCO[C@@H]2C1)c1ccc(Cl)s1 244947646 DUNRZVCILQQLGU-OPRDCNLKSA-N 301.795 2.468 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCc2ccccn2)cc1 6275205 FODXXQBRGSGUER-UHFFFAOYSA-N 306.387 2.001 0 40 DEAB CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccccc1F 1429216 ZAODPQAPTKRFOT-UHFFFAOYSA-N 305.309 2.146 0 40 DEAB CSc1ncccc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 206825861 WOJIJHPSLPZLGF-GFCCVEGCSA-N 314.414 2.207 0 40 DEAB O=C(NCc1nccnc1-c1cccnc1)c1cc(C2CC2)on1 575620900 WHKZAWLYSOYEQP-UHFFFAOYSA-N 321.340 2.334 0 40 DEAB COc1cccc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)c1 575617525 FBCPLSBAFRLMHL-UHFFFAOYSA-N 322.368 2.421 0 40 DEAB CCOC(=O)CSc1nnc(NC(=O)C(C)(C)C)s1 4078346 IKZFQRVURCVSHF-UHFFFAOYSA-N 303.409 2.178 0 40 DEAB C[C@H](CC(=O)NCCNc1ncccn1)Cc1cccc(F)c1 73072116 LTQKLCZJQPLZSK-ZDUSSCGKSA-N 316.380 2.413 0 40 DEAB O=C(NCCN1CCc2ccccc2C1)c1cccc2cn[nH]c12 31339846 OOTFBCBCMDOIKP-UHFFFAOYSA-N 320.396 2.351 0 40 DEAB NC(=O)c1ccccc1NCC(=O)NCC1(c2ccccc2)CC1 50782690 GZHWAZFTXKGCGJ-UHFFFAOYSA-N 323.396 2.045 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)OCc1ccccc1F 40456943 SLRZKHKQKFYOQM-UHFFFAOYSA-N 312.300 2.279 0 40 DEAB Nc1nc(Cl)cc(NCc2cccc(N3CCOC3=O)c2)n1 40554222 YMXLNDFSYJITLQ-UHFFFAOYSA-N 319.752 2.281 0 40 DEAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccccc1-n1cccn1 101336386 ZCWMSYDTFVUHTA-MGBSGCIJSA-N 319.364 2.179 0 40 DEAB O=C1[C@H]2N=NN(Cc3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 101417237 HHHFRPXNRGDFQJ-GJZGRUSLSA-N 324.315 2.319 0 40 DEAB Cc1c(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cnn1C 32882021 URYNGCGLHPDSGO-UHFFFAOYSA-N 323.400 2.246 0 40 DEAB CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 41246738 NEQVSTCUQZOWAI-INIZCTEOSA-N 302.418 2.382 0 40 DEAB O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)OCCO2 418237 QDUYXDKQZJPVPW-UHFFFAOYSA-N 323.345 2.075 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CC[C@@H](C(N)=O)C1 46941211 JHAMYHCXUKJTNH-DGCLKSJQSA-N 319.405 2.118 0 40 DEAB CCOC(=O)c1cc(NC(=O)NCCN2CCCC[C@H]2C)c[nH]1 78954425 HMFMZLHAWKYBMP-GFCCVEGCSA-N 322.409 2.187 0 40 DEAB C[C@@H](CC(=O)O)NC(=O)COc1ccc(Cl)cc1Cl 37411927 MAAMAEKRXKVCIK-ZETCQYMHSA-N 306.145 2.352 0 40 DEAB CC(C)[C@@H](CNc1cnc2ccccc2n1)N1CCN(C)CC1 54056570 MTTHTVBSDWUDCD-QGZVFWFLSA-N 313.449 2.314 0 40 DEAB CC1=NN(c2cccc(Cl)c2)C(=O)[C@H]1CN1CCOCC1 6263559 PUEFZZSHNBASLG-AWEZNQCLSA-N 307.781 2.011 0 40 DEAB OCCNC[C@@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421948 YQRCRBYMNWFGDC-GFCCVEGCSA-N 322.836 2.116 0 40 DEAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1cccn1C 23867041 SPLQGVVOLZEAIW-UHFFFAOYSA-N 322.748 2.309 0 40 DEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCn2ccnc2C1 97201039 WQMYSBJDHBRESE-AWEZNQCLSA-N 310.401 2.067 0 40 DEAB O=C(NCCNc1cnccn1)N[C@@H]1CCCc2ccccc21 42960758 KGFZJDSLZZLBTI-OAHLLOKOSA-N 311.389 2.265 0 40 DEAB CCCn1cc(CN2CCCN(Cc3ccccn3)CC2)cn1 105917787 BPCDWORPAIYNQG-UHFFFAOYSA-N 313.449 2.396 0 40 DEAB Cc1[nH]c2nc(-c3cccnc3)nn2c(=O)c1Cc1ccccc1 101280653 SEAMIQJVHPGWDQ-UHFFFAOYSA-N 317.352 2.379 0 40 DEAB Cc1sc2ncnc(N3CCN(C[C@@H](C)O)[C@@H](C)C3)c2c1C 106839959 XUFASJDMKLYYLW-WDEREUQCSA-N 320.462 2.199 0 40 DEAB O=C(NOCc1ccccc1)c1ccc(Cn2ccccc2=O)o1 25286472 RPTBACCSFLLSRZ-UHFFFAOYSA-N 324.336 2.351 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccco1)c1ccco1 25462888 VBKBLTVROMZGAU-NEPJUHHUSA-N 302.330 2.355 0 40 DEAB CC(C)N(CCS(=O)(=O)c1ccccc1)Cc1cnn(C)c1 56511537 DQOFRNJDFHHSJD-UHFFFAOYSA-N 321.446 2.104 0 40 DEAB COCCN1CCO[C@H]2CCN(Cc3cc(C)ccc3F)C[C@@H]21 108533780 PLPQWHTWDXMQGK-ROUUACIJSA-N 322.424 2.056 0 40 DEAB CCN(CC)C(=O)CCNC(=O)N1CC[C@H](c2ccccc2)C1 58283501 DPUTYAZNJROMTK-INIZCTEOSA-N 317.433 2.444 0 40 DEAB CN(C)CCCNCCCNc1cc(=O)oc2ccccc12 10313689 FWRGDVBBGTYUHO-UHFFFAOYSA-N 303.406 2.136 0 40 DEAB biogenic CN(C)c1cccc(CNC(=O)CCNC(=O)OC(C)(C)C)c1 58331107 CMJSGDKCXLTQAU-UHFFFAOYSA-N 321.421 2.284 0 40 DEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(CC)cc1 28273811 OTRXFRIJFUWEQO-OAHLLOKOSA-N 324.446 2.392 0 40 DEAB COc1ccc(F)c(C(=O)Nc2cccc3c2C(=O)NC3)c1F 95463526 BJQDOEMMCPWQPE-UHFFFAOYSA-N 318.279 2.469 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Cl)nc1 3312963 ZTJJDHUFQPZMOZ-UHFFFAOYSA-N 316.744 2.481 0 40 DEAB Cc1ccc(CNC(=O)Cc2ccc(N3CCCC3=O)cc2)cn1 49199863 ZTPDCIYCVCXXKQ-UHFFFAOYSA-N 323.396 2.376 0 40 DEAB CC[C@H](C(=O)Nc1cccnc1)n1cnc2ccccc2c1=O 5205591 DLDAHPKYOOGTDZ-OAHLLOKOSA-N 308.341 2.381 0 40 DEAB CC[C@H](C)NC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14093745 CFQAQMBYEODRQK-VIFPVBQESA-N 319.430 2.321 0 40 DEAB COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@H](N3CCCC3)C2)c1 83973244 WSSLODVWLBAHSB-SZMVWBNQSA-N 314.429 2.495 0 40 DEAB CC(C)CN(C(=O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 4504336 JBRZYNZHXWODSN-CQSZACIVSA-N 301.452 2.238 0 40 DEAB CCCCS(=O)(=O)Nc1ncn(Cc2ccc(F)cc2)n1 14250868 PWUCEQGADRFZGC-UHFFFAOYSA-N 312.370 2.007 0 40 DEAB Cn1ccnc1SCC(=O)N1CCC(c2ccccc2)=N1 4805359 SOKMAFXCRUOZNC-UHFFFAOYSA-N 300.387 2.149 0 40 DEAB CC1CCN(C[C@H](O)CNc2nccc(C(F)(F)F)n2)CC1 67373329 DMKQGHSBAXOWDE-LLVKDONJSA-N 318.343 2.000 0 40 DEAB Cc1nc2ccc(N[C@H](C)C(=O)N3CCOCC3)cc2s1 9368678 GUCZMDHITGHKRQ-SNVBAGLBSA-N 305.403 2.264 0 40 DEAB O=C(NCc1nnc2ccccn12)N[C@H]1C[C@@H]1c1ccccc1 67615606 UULYSSHTNYHYOF-KGLIPLIRSA-N 307.357 2.085 0 40 DEAB O=C(CCc1nc2ccccc2s1)NCCN1CCCC1 7435824 YKPWVPULVNIOGR-UHFFFAOYSA-N 303.431 2.441 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cnccn2)c1C 7550085 DRMRRXOIODCLNA-NSHDSACASA-N 315.329 2.052 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCCC[C@@H]1C 7525350 CBIIZXLWCPMQHJ-LBPRGKRZSA-N 319.405 2.467 0 40 DEAB COc1ccc(CC(=O)Nc2ccccc2S(C)(=O)=O)cc1 7614472 ODFNTXUKTVCDDZ-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB O=C(CCN1CCOCC1)Nc1ccc(Br)cc1 19841351 FFKILSHSSTVOBO-UHFFFAOYSA-N 313.195 2.110 0 40 DEAB O=C(Nc1ccc(OCC(F)(F)F)nc1)NC1CCOCC1 69161145 GRWVRGXCKHEEBB-UHFFFAOYSA-N 319.283 2.323 0 40 DEAB O=C(NCc1ccccc1F)c1c(O)c2c([nH]c1=O)CCCC2 16945183 MXQFDGDCELSFOD-UHFFFAOYSA-N 316.332 2.028 0 40 DEAB CCn1cnnc1C1CCN(C(=O)C[C@@H](C)n2cccc2)CC1 69371260 WDTSAJDAIJHAPN-CQSZACIVSA-N 315.421 2.457 0 40 DEAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCCCC3)cc21 96406669 ZAFRJGQPIXZPPM-UHFFFAOYSA-N 322.430 2.160 0 40 DEAB CN(C)CCN(Cc1ccccc1F)C(=O)Cc1cccnc1 69653345 VHGWHYIUZMJJGD-UHFFFAOYSA-N 315.392 2.354 0 40 DEAB COc1ccc(F)cc1CS[C@@H](C(=O)NC(N)=O)C(C)C 69774422 OGSHRLLMDQJTRJ-GFCCVEGCSA-N 314.382 2.287 0 40 DEAB CC[C@@H](C(N)=O)N(C)CC1(C)CCN(Cc2ccccc2)CC1 69871659 BHCDPBRUFLRYSG-KRWDZBQOSA-N 317.477 2.484 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cs1 69815002 GHBAXJXQSVGISA-ZIAGYGMSSA-N 307.463 2.333 0 40 DEAB NC(=O)c1cnc(NC[C@@H](O)c2cccc(F)c2)c(Cl)c1 71832796 ZGCIJSOIXSBCAU-GFCCVEGCSA-N 309.728 2.119 0 40 DEAB C[C@H](O)CN1CCC(CNCc2nc3ccccc3s2)CC1 71870958 KCQQHFIIGASNMP-ZDUSSCGKSA-N 319.474 2.479 0 40 DEAB COC(=O)c1ccc(CN2C[C@@H](N)[C@@H](c3ccc(F)cc3)C2)o1 97096740 QNYOISGPQFJVAS-HUUCEWRRSA-N 318.348 2.132 0 40 DEAB Cc1cnn(CC(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)c1 72232094 XEBBBEMYCPYJDS-ZDUSSCGKSA-N 317.393 2.104 0 40 DEAB O=C(CCc1cc(F)ccc1Br)NC1(CO)CC1 97107476 KLTVNMPQMFYGOA-UHFFFAOYSA-N 316.170 2.162 0 40 DEAB Cc1cc(=O)oc2ccn(CCn3cnc4ccccc43)c(=O)c12 1547212352 QBYHYJIFEAXSRE-UHFFFAOYSA-N 321.336 2.313 0 40 DEAB Cc1ccc(CNC(=O)N2CCC(C)(CO)CC2)c(N(C)C)c1 95941481 LMDLTFQBBJQQGB-UHFFFAOYSA-N 319.449 2.365 0 40 DEAB CC(C)C[C@H](C)NC(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 95997839 PGALRICATFWFMU-GDLCADMTSA-N 322.430 2.241 0 40 DEAB COC[C@H](O)CCNC(=O)N[C@@H]1c2ccccc2CCC1(C)C 95980448 IRHRDMMZFBOKIB-GDBMZVCRSA-N 320.433 2.397 0 40 DEAB Cc1cc2c(cc1Br)N(Cc1n[nH]c(=O)[nH]1)CCC2 89264653 MXSDCNCCJIAQBM-UHFFFAOYSA-N 323.194 2.122 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)c3cc(F)ccc3F)c12 75139803 CHAFGFVDDOLCSA-UHFFFAOYSA-N 305.288 2.389 0 40 DEAB O=c1[nH]c2ccccc2cc1CN1CCN(c2ccncc2)CC1 89873025 DGFOXRWLVVJPFQ-UHFFFAOYSA-N 320.396 2.245 0 40 DEAB Nc1nc2ccccc2n1C1=CC(=O)N(c2ccccc2)C1=O 20636500 KFMMRRJJSXYRBU-UHFFFAOYSA-N 304.309 2.033 0 40 DEAB COc1ccccc1[C@H]1CC(=O)c2cn3nc(C)nc3nc2C1 20796413 KWXMOXVXLNUXFA-LLVKDONJSA-N 308.341 2.354 0 40 DEAB Cc1ccc(OC[C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1 65794940 CASARCMJDNGJKO-NSHDSACASA-N 324.402 2.346 0 40 DEAB COc1ccc(CC(=O)N2C[C@H](C)OCC2(C)C)cc1OC 36075973 LWMSCDYTYJUCOZ-LBPRGKRZSA-N 307.390 2.272 0 40 DEAB CCn1c(=O)n(CCC(=O)Nc2cc(C)on2)c2ccccc21 32850741 HFOLTIBRDPFAHI-UHFFFAOYSA-N 314.345 2.148 0 40 DEAB C[C@@H](Nc1ccc(C(=O)O)cc1S(N)(=O)=O)c1ccccc1 217403848 UBRRZCPYYZHDNJ-SNVBAGLBSA-N 320.370 2.205 0 40 DEAB CC(C)c1nnnn1CC(=O)N1CCCc2ccc(F)c(F)c21 535804572 KFDVEIUVAVPVIF-UHFFFAOYSA-N 321.331 2.054 0 40 DEAB CN1CCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)CC1 36357498 ZCTIEDZPEWOUDR-UHFFFAOYSA-N 315.442 2.415 0 40 DEAB Cc1nonc1C(=O)Nc1ccn(Cc2ccccc2F)n1 72264858 MAZJFFSSNMFIGC-UHFFFAOYSA-N 301.281 2.014 0 40 DEAB COCCOC(=O)c1c(C)nc2cc3c(cc2c1C)OCO3 37077168 YAZMYPPPZOUZLB-UHFFFAOYSA-N 303.314 2.384 0 40 DEAB C[C@@H]1CCC[C@H](OC(=O)c2cn(Cc3ccccn3)nn2)C1 76878898 VACAMOXVWIHIJS-OCCSQVGLSA-N 300.362 2.457 0 40 DEAB CC(=O)N(C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 78234555 VSRZKBNVOKRJLS-UHFFFAOYSA-N 318.398 2.494 0 40 DEAB COc1nccnc1O[C@H]1CCN(C(=O)Nc2cccs2)C1 225389215 LSHJBSNZCVJLHC-JTQLQIEISA-N 320.374 2.232 0 40 DEAB COc1cccc(/C(C)=C/C(=O)N(C)CCN2CCCC2=O)c1 81757776 QLUURVAZCLZEBX-WYMLVPIESA-N 316.401 2.179 0 40 DEAB Cc1ncc2n1CC[C@H](C(=O)Nc1ccn(CCC(C)C)n1)C2 571216910 QSMUNRSMOLBKMC-AWEZNQCLSA-N 315.421 2.635 0 40 DEAB O=C(c1ccoc1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96065846 YSOCNAWMSBDUCM-SQWLQELKSA-N 314.341 2.126 0 40 DEAB CCS(=O)(=O)[C@@](C)(Br)[C@H](O)c1ccccc1 96521329 QMDNFSMTDANPMU-GHMZBOCLSA-N 307.209 2.266 0 40 DEAB O=C(c1ccco1)N1CCO[C@H]2CN(c3cccc(F)c3)C[C@H]21 96081811 HMCQASSEMFFGGH-ZBFHGGJFSA-N 316.332 2.149 0 40 DEAB NC[C@@H]1CN(c2cc(NC3CC3)ncn2)C[C@H]1c1ccccc1 578122851 UIEASKQNBGKTKU-ZBFHGGJFSA-N 309.417 2.230 0 40 DEAB c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2[C@@H]2CCOC2)c1 96200559 RUSYQJTWRATFLC-SQNIBIBYSA-N 302.418 2.283 0 40 DEAB Cc1cnc(N2CCC3(CC[C@@H](C(=O)N(C)C)C3)CC2)nc1 96227840 WWYMVGHWMZNCRC-CQSZACIVSA-N 302.422 2.260 0 40 DEAB CCO[C@H](C)C(=O)Nc1cccc2c1CCN(CC(C)(C)O)C2 97372878 WUYCLUFDKLGWFV-CYBMUJFWSA-N 320.433 2.179 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)Cc3ccno3)C2)c1 96448426 FJPLBCJKEINOSI-ZDUSSCGKSA-N 317.389 2.403 0 40 DEAB c1cncc(O[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)c1 96072512 VSYXXFLLTPCOHH-IAGOWNOFSA-N 300.358 2.487 0 40 DEAB O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1F)c1nccn2ccnc12 96436538 COTXWMIRBWXTLX-WCQYABFASA-N 314.295 2.293 0 40 DEAB CC1CCC(O)(CS(=O)(=O)Cc2nccn2C(F)F)CC1 95463528 QDOJDGBDWFAUPO-UHFFFAOYSA-N 322.377 2.134 0 40 DEAB CC(C)N1CCc2ncn(C)c2[C@@H]1C(=O)N1CCCC[C@@H]1C 96147157 WTJWCLONJHNUEZ-XJKSGUPXSA-N 304.438 2.129 0 40 DEAB COCCc1nnc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C32CC2)s1 247883050 QVFMQRAQOPSHRZ-OUAUKWLOSA-N 305.403 2.268 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3ccnc(O)n3)cn12 257328975 XHVMFFXDVFPMQP-CQSZACIVSA-N 323.356 2.116 0 40 DEAB Cc1nc([C@@H]2CCCCN2C(=O)CN(C)C)c2sccn12 257322445 WGAGYSVWRDUQMC-LBPRGKRZSA-N 306.435 2.319 0 40 DEAB CCCC(=O)NC[C@H](Cc1cccc(F)c1)N1CCCC1=O 85467350 AOGAJTCYEKKUCZ-HNNXBMFYSA-N 306.381 2.276 0 40 DEAB O=C(O)c1ccc(OCCNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 542517974 OSFTXSMDXXPANH-WHOFXGATSA-N 301.342 2.092 0 40 DEAB O=C(O)COc1ccc(CN2CCC[C@@H]2c2cnccn2)cc1 257199627 AAEKZFRXUWDSLF-MRXNPFEDSA-N 313.357 2.277 0 40 DEAB COc1cc(CCC(=O)N2CCC[C@@H](c3nc(C)c[nH]3)C2)on1 257256080 KKAIQVGVGMCJDS-GFCCVEGCSA-N 318.377 2.054 0 40 DEAB Oc1cc(C2CCN(Cc3cncs3)CC2)nc2ccnn12 257288169 PTDSLSGZNIKCRU-UHFFFAOYSA-N 315.402 2.271 0 40 DEAB O=C(NCc1ccc(-c2ccoc2)nc1)NC1CCOCC1 390829688 FXUNMPWYLJXUOQ-UHFFFAOYSA-N 301.346 2.320 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)NCCCOc1ccccc1 32803462 MMGADQIDCQSYJB-UHFFFAOYSA-N 321.421 2.012 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)c1cn2cccnc2n1 72282316 MSLUTWZHVSFRPE-UHFFFAOYSA-N 318.340 2.476 0 40 DEAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccncc2)CC1 43978062 KIUASJMCOUNMRG-UHFFFAOYSA-N 318.421 2.032 0 40 DEAB CCc1nc2cc(N[C@@H](C)C(=O)N3CCOCC3)ccc2o1 56201092 CJEYIUORVUKXAT-NSHDSACASA-N 303.362 2.049 0 40 DEAB CNC(=O)[C@H]1CCCN(c2nc3ccc(OC)cc3s2)C1 85474010 XUCDQLVCXFAAMZ-JTQLQIEISA-N 305.403 2.267 0 40 DEAB Cn1cc(N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2=O)cn1 98013729 SAMFUXAAIFPUOF-JTQLQIEISA-N 313.283 2.004 0 40 DEAB Cc1cccc(CC(=O)N2CCC(Oc3nncs3)CC2)c1 670743826 WAPKYVMEKWMSMG-UHFFFAOYSA-N 317.414 2.459 0 40 DEAB CC(=O)Nc1ccc(OCCC[n+]2ccc(C(=O)O)cc2)cc1 5291529 YOQPCCPQWNIAEE-UHFFFAOYSA-O 315.349 2.100 0 40 DEAB CO[C@@H]1CCC[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 12113245 PULVRPUVYSLGIG-GOEBONIOSA-N 318.417 2.097 0 40 DEAB O=c1[nH]c(C[C@H](O)C(Cl)(Cl)Cl)nc2ccccc12 17060316 PXDOYLFYEACWOY-QMMMGPOBSA-N 307.564 2.197 0 40 DEAB COC(C)(C)C(=O)Nc1ccc([C@@H]2CCc3nncn3C2)cc1 19699098 XIVPWHHEHOGMGR-CYBMUJFWSA-N 314.389 2.372 0 40 DEAB CCn1nc(C)c(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)c1C 19713231 CXLXNGKHUHNXGF-JKSUJKDBSA-N 304.438 2.153 0 40 DEAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](n2ccnn2)C1 206926501 GBQWUGUXRHZVNH-LBPRGKRZSA-N 310.279 2.384 0 40 DEAB C[C@@]1(c2ccccc2)CN(C(=O)c2cnn3cccnc23)CCO1 532359660 JRZVXAIFLUOLLI-SFHVURJKSA-N 322.368 2.117 0 40 DEAB COc1ccc(C(=O)OCC(=O)NC2CCCCC2)c(F)c1 6113581 PVOAVXBZVXKXGR-UHFFFAOYSA-N 309.337 2.440 0 40 DEAB Cc1cnc(N(C)[C@H]2CCCN(c3ncc(Cl)cn3)C2)nc1 1889085238 MFVQJQFEVOJLEO-ZDUSSCGKSA-N 318.812 2.334 0 40 DEAB CN(C)c1ccnc(N2CCN(Cc3ccc(F)cc3)CC2)n1 1889119598 VOFKTJKIKJEXLR-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2n[nH]cc2Br)cc1 28234695 HQPHOUMGFPSMGM-UHFFFAOYSA-N 323.150 2.383 0 40 DEAB O=C(c1cncnc1)N1CCC[C@]2(CCCN(CC3CC3)C2)C1 2056224274 PGSUJUHFUSCWGG-SFHVURJKSA-N 314.433 2.205 0 40 DEAB Cc1cccc(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)c1 49404659 XUVODFZLPFEYBI-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB Cc1cc(C)c(CNC(=O)c2ccc3ccccc3n2)c(=O)[nH]1 10458204 AGKVQTKTETWZPX-UHFFFAOYSA-N 307.353 2.470 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2ccc3c(ccn3C)c2)CC1 40267027 CPCQUNOVVHDRSY-UHFFFAOYSA-N 315.373 2.093 0 40 DEAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(C)C=C[C@H]3O2)cc1 101136512 INNBGZYVIPYMGZ-ATNYBXOESA-N 313.353 2.308 0 40 DEAB Cc1n[nH]c(SCC(=O)c2ccc3c(c2)CCCC(=O)N3)n1 32330764 RVVBEFTYIMEGCL-UHFFFAOYSA-N 316.386 2.363 0 40 DEAB COC(=O)CCN1C(=O)[C@H](C)N(c2ccc(Cl)cc2)C1=O 32385498 HZOWIBAWCJYVBW-VIFPVBQESA-N 310.737 2.060 0 40 DEAB CC(=O)NCCCNC(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 41187423 WZSAACOYPCTKMB-CQSZACIVSA-N 321.421 2.427 0 40 DEAB CC(C)c1noc(CN2CCC[C@@H]2C(=O)NCc2ccco2)n1 32804094 HPMULAUACZYHDU-CYBMUJFWSA-N 318.377 2.067 0 40 DEAB COCCCCNC(=O)N1CCC[C@@H]1c1nnc2ccccn12 46734883 MKAOVVRXVCGOQU-CYBMUJFWSA-N 317.393 2.002 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2nc(C(C)C)nn2C)cc1F 79102262 MTPLYOGHKHKLHX-UHFFFAOYSA-N 312.370 2.187 0 40 DEAB CCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324605 VIQAOHLSYGWOLC-NWDGAFQWSA-N 324.446 2.316 0 40 DEAB COCCNC(=O)c1cn(CCC(C)C)c(=O)c2ccccc12 72326135 HQTQSJGYTXCDSO-UHFFFAOYSA-N 316.401 2.424 0 40 DEAB biogenic COc1cc(NC(=O)CSc2cccc[n+]2[O-])cc(OC)c1 3244370 ACBMURDJGAXAPF-UHFFFAOYSA-N 320.370 2.068 0 40 DEAB Cc1ccc([C@H](CNC(=O)c2ccsc2)N2CCOCC2)o1 25398920 RCCZUYUYIJCJHC-AWEZNQCLSA-N 320.414 2.453 0 40 DEAB O=C(NCc1ccoc1)N1CCN(C(=O)c2ccsc2)CC1 56884312 ASWUADMTTDOTLB-UHFFFAOYSA-N 319.386 2.009 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)N[C@H](C)c1ccccc1 26771675 HTPMWHOCBCQXOD-DGCLKSJQSA-N 310.419 2.342 0 40 DEAB COc1ccc(-c2cccc(C[C@H]3NCCN(C)C3=O)c2)cc1 72352742 SLFXJFSXEPLSSJ-GOSISDBHSA-N 310.397 2.335 0 40 DEAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C[C@H](C)O1 22024994 ZQDPKXFHQVVUAE-UWVGGRQHSA-N 307.781 2.186 0 40 DEAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccc(CN2CCOCC2)c1 101610799 XBILIEDRTGYIEA-KYJSFNMBSA-N 314.429 2.437 0 40 DEAB O=S(=O)(c1cc(Cl)sc1Cl)N1CCC(O)CC1 35612085 YVAVILCLEZRDAP-UHFFFAOYSA-N 316.231 2.200 0 40 DEAB O=C1NC2(CCOCC2)C(=O)N1Cc1ccc(Cl)s1 57947665 NOGCBQNPXDXHFU-UHFFFAOYSA-N 300.767 2.003 0 40 DEAB Cc1ccc(/C=C/C(=O)N[C@H](C)c2nnc3n2CCC3)s1 48285598 WYJRSMDKJKIVDH-WSKFYRRCSA-N 302.403 2.485 0 40 DEAB COC(=O)c1cc2cc(CSc3nnnn3C)ccc2o1 172693698 DJQJVYUEIINKKI-UHFFFAOYSA-N 304.331 2.035 0 40 DEAB CCc1noc(CN(C)C[C@H]2CN(CC)c3ccccc3O2)n1 58283258 MBHACMVOLVCFCJ-ZDUSSCGKSA-N 316.405 2.351 0 40 DEAB CN(C)C/C(Br)=C(/Br)CN(C)C 28628912 ZXNJBDNQUCVLNI-FPLPWBNLSA-N 300.038 2.111 0 40 DEAB C[C@@H](CNC(=O)N1CCc2ccccc2CC1)Cn1cccn1 116535861 KAIUODSOIWACPY-HNNXBMFYSA-N 312.417 2.330 0 40 DEAB CC(C)(C)n1nc(C2CC2)cc1C(=O)NCCn1ccnc1 44951943 IWPOJLVFLFPGCA-UHFFFAOYSA-N 301.394 2.142 0 40 DEAB C[C@@H](NC(=O)CCc1nc(-c2ccsc2)no1)[C@H]1CCCO1 27872576 NFFQKIHDHQMFOL-ZYHUDNBSSA-N 321.402 2.414 0 40 DEAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)[C@H]1CCCO1 27879071 VVWVPGFSBMVBLK-BXUZGUMPSA-N 317.414 2.431 0 40 DEAB CC(C)N1CCC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2)C1 58431625 AIWPYVSACYBWSC-CQSZACIVSA-N 306.454 2.488 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 48324358 UNPNOPVFXOOREK-LBPRGKRZSA-N 316.430 2.385 0 40 DEAB CC1(C)C[C@@]2(CCO1)OC(=O)C[C@@H]2C(=O)NC1CCCCC1 2482603 BIKCJVMIGIXVFQ-CXAGYDPISA-N 309.406 2.326 0 40 DEAB biogenic C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1 46107544 KYGFOCBMIWGGRG-AWEZNQCLSA-N 317.410 2.306 0 40 DEAB C[C@H](Nc1ccc2nnnn2n1)c1ccc(OC(F)F)cc1 12973191 HXTOXBSVGALLSJ-QMMMGPOBSA-N 306.276 2.294 0 40 DEAB O=C(NCCN1CCO[C@H](c2ccccc2)C1)C1CCCC1 38573305 KKMQGQRWVVPPPF-KRWDZBQOSA-N 302.418 2.366 0 40 DEAB COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NC(C)C 63395685 NBGVNQNXSYOZGD-UHFFFAOYSA-N 305.378 2.461 0 40 DEAB CCOCCNC(=O)CCNc1cc(Cl)ccc1OC 49423613 HZOSLLVMTUQFAE-UHFFFAOYSA-N 300.786 2.303 0 40 DEAB Cc1cc(C)c2nnc(SCC(=O)Nc3ccccc3)n2n1 27028847 UYUITFFEFNEUPQ-UHFFFAOYSA-N 313.386 2.472 0 40 DEAB Cc1nc(COC(=O)c2cccc(NC(=O)NC(C)C)c2)no1 65547712 PRMZKMXJBQMNPX-UHFFFAOYSA-N 318.333 2.265 0 40 DEAB COCC(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 96006302 KURKGYCRZKWLMC-LBPRGKRZSA-N 303.280 2.252 0 40 DEAB CCNC(=O)CSc1nc(NC2CC2)c2ccccc2n1 14129362 ZKWAVMDTVVNCFP-UHFFFAOYSA-N 302.403 2.432 0 40 DEAB Cc1cc([C@@H]2CCCN(CC(=O)NCc3cccs3)C2)n[nH]1 84111035 FZDKTIIHFXOGEY-CYBMUJFWSA-N 318.446 2.275 0 40 DEAB C[C@@H](CC1CC1)NC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 97086270 VDUZJAQNUVCOSA-SWLSCSKDSA-N 316.405 2.065 0 40 DEAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc[nH]2)ccc1O 6735828 JDANFNYIOZAYAV-FNORWQNLSA-N 301.298 2.168 0 40 DEAB Cc1csc(NC(=O)CCNC(=O)NC2CCCCC2)n1 14900129 GAXZEMYDOMQGDY-UHFFFAOYSA-N 310.423 2.412 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CSc1nnc(-c2ccco2)o1 4828250 BZVPIZSKCADEKH-UHFFFAOYSA-N 324.362 2.046 0 40 DEAB CCNC(=O)[C@@H](C)NCc1c(C)nn(-c2ccc(F)cc2)c1C 15594029 MSGOKFDFZAUTTH-GFCCVEGCSA-N 318.396 2.242 0 40 DEAB N[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3Cl)CC2)C1 97092803 YISJUXSNYPUJRW-STQMWFEESA-N 307.825 2.116 0 40 DEAB CCOC(=O)N(C)C1CCN([C@H]2Cc3ccccc3[C@H]2O)CC1 97034104 KVSBNGINUFCOKZ-DLBZAZTESA-N 318.417 2.197 0 40 DEAB COC(=O)[C@@H]1CCCCN1Cc1nc(Cc2ccccc2)no1 96307010 GSSDHEAYSLJPPK-AWEZNQCLSA-N 315.373 2.188 0 40 DEAB O=C(COC[C@H]1CCCO1)N1CCC[C@@H](c2nccs2)C1 72282060 GXEMVCXOKZUAMS-CHWSQXEVSA-N 310.419 2.045 0 40 DEAB C[C@H](O)CN1CCN(C(=O)CCCc2ccc(Cl)cc2)CC1 71871296 DLAIBGAYILCHQY-AWEZNQCLSA-N 324.852 2.188 0 40 DEAB Cc1cccc(C2(C(=O)N3CC[C@H](C(N)=O)C3)CCCC2)c1 69570459 NFCNHXVKGMXUKI-AWEZNQCLSA-N 300.402 2.141 0 40 DEAB Cc1ccc(-c2nc(CN[C@H]3CCc4ncnn4C3)co2)cc1 69873028 AJYCTPWVVMSSLK-AWEZNQCLSA-N 309.373 2.346 0 40 DEAB COc1ccc(OC)c(NC(=O)COc2ccc(C)nc2)c1 69813572 UFKWNZRMHDTMSH-UHFFFAOYSA-N 302.330 2.425 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@@H](C)C[C@@H](C)C1 18268989 JLPAJJMKGKKJPD-BETUJISGSA-N 313.401 2.209 0 40 DEAB CO[C@H]1CCCC[C@H]1NC(=O)N[C@H](CCO)c1ccccc1 83897706 XDGLBQLOJXIXDE-OAGGEKHMSA-N 306.406 2.367 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)no1 72232624 QKEFZIVTVOGTHU-AWEZNQCLSA-N 300.362 2.112 0 40 DEAB C[C@@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)c1cnn(C)c1 95403866 ADEGVJGYKKEMEO-SNVBAGLBSA-N 302.382 2.390 0 40 DEAB CC1CCC2(CC1)OC[C@@H](CNC(=O)Cc1cccnc1)O2 95991658 HDRXBUMJFQDGRA-GNHJJJEISA-N 304.390 2.062 0 40 DEAB CC(C)[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccs1 89801855 IXMYVARWFTUJOA-CYBMUJFWSA-N 309.435 2.352 0 40 DEAB C[C@H]1CC[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 75545097 DIOYGAUKHXRWDR-ZJUUUORDSA-N 301.346 2.223 0 40 DEAB CCn1cc(C(=O)N[C@H]2C[C@H](c3ccc(OC)c(F)c3)C2)nn1 1548449010 GBSXYXIGXXNARA-HAQNSBGRSA-N 318.352 2.122 0 40 DEAB CCOC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 408557359 MYSLQCWCWZNSLZ-SECBINFHSA-N 305.783 2.058 0 40 DEAB C[C@@H]1COCC[C@@H]1CNC(=O)NC[C@@H]1CCN1C1CCCCC1 527933616 QZDUJUVLKXAEII-INMHGKMJSA-N 323.481 2.365 0 40 DEAB N[C@H](C(=O)O)c1cc(Br)c(O)c(Br)c1 72197170 SQMNVQXCSHRTOP-LURJTMIESA-N 324.956 2.002 0 40 DEAB CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](O)(CN)c1ccccc1 72207948 ZFTLPBPZBWLJAC-RHSMWYFYSA-N 308.422 2.382 0 40 DEAB O=C(OCc1ccccc1F)c1cn(Cc2ccccn2)nn1 76848968 ZJNDJBDHHXOVBC-UHFFFAOYSA-N 312.304 2.218 0 40 DEAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@@H](C)N 72224704 FIJMDIZTHHNBCA-GFCCVEGCSA-N 320.437 2.467 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccccc2N2CCCCC2)C1 45958561 QJFLTJNZIMUWIA-CYBMUJFWSA-N 302.374 2.203 0 40 DEAB C[C@@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)c1nc[nH]n1 572700689 VYCATCGNWZZPNO-PWSUYJOCSA-N 300.362 2.327 0 40 DEAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN1C(=O)OC(C)(C)C 195558637 OMWABDPAVXOMKW-BYNSBNAKSA-N 310.438 2.301 0 40 DEAB Cc1nccc(CNC(=O)NCCc2cc(F)ccc2F)n1 83183944 GYOKTHLBZBOJLX-UHFFFAOYSA-N 306.316 2.105 0 40 DEAB O=C(c1cccnc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225684065 PPNOEBLOEMAURZ-GOSISDBHSA-N 307.397 2.354 0 40 DEAB CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)Cc2c(C)n[nH]c2C)C1 194307593 YNBDVCOGTRGNDC-KRWDZBQOSA-N 321.421 2.007 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](Oc2cnccn2)C1 225468426 XYQWSCVURSRTFB-CYBMUJFWSA-N 323.356 2.037 0 40 DEAB CCNCCNc1nc(Cl)nc(Nc2cccc(F)c2)n1 199799295 ATKPHSAZFVUDSG-UHFFFAOYSA-N 310.764 2.429 0 40 DEAB Cc1ccc(F)c(-n2nnnc2CSCCn2cccn2)c1 96462515 UFLDTZHOVLDNBM-UHFFFAOYSA-N 318.381 2.240 0 40 DEAB CCOC[C@@H]1CN(Cc2cc(C)on2)Cc2cn(CC)nc21 96198099 SDIUKBAEJQNOQI-AWEZNQCLSA-N 304.394 2.335 0 40 DEAB COCCC(=O)N1CCC(NCc2ccc(Cl)o2)CC1 330694170 YUDJUDPIHSLODD-UHFFFAOYSA-N 300.786 2.050 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)Nc3cc(C)n(C)n3)CCO2)o1 96484535 YONCWUAMYWZTEV-CYBMUJFWSA-N 304.350 2.235 0 40 DEAB C[C@@](NC(=O)/C=C/c1ccco1)(C(N)=O)c1cccc(Cl)c1 96454816 CYDWQGZPMZRFDZ-WAVCKPEOSA-N 318.760 2.463 0 40 DEAB COc1nn(C)cc1NC(=O)N1CCCc2ccccc2CC1 333066104 DZINRLBLWVKWEL-UHFFFAOYSA-N 314.389 2.452 0 40 DEAB CCNC(=O)N1[C@H]2CC[C@@H]1CC(S(=O)(=O)c1ccccc1)C2 96099589 KMXBKNUJZQJSHO-NNQSOWQGSA-N 322.430 2.185 0 40 DEAB COCc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)C[C@H](C)N2 95471713 VMDZWAIGLVZWQN-GWCFXTLKSA-N 318.377 2.235 0 40 DEAB CC1CCN(C[C@@H](O)COc2cccc3c2CCC3=O)CC1 96484789 VSKPEOZZIGCRGQ-CQSZACIVSA-N 303.402 2.287 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C)n1)C2 96056753 WQPGENCDUFVYRR-WBVHZDCISA-N 304.390 2.048 0 40 DEAB Cc1cnc([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)s1 257316686 VGOKGWCBJMDYOE-CYBMUJFWSA-N 304.419 2.444 0 40 DEAB CCOCC[C@@H]1CCOC2(C1)CN(C(=O)c1ccccn1)C2 253383133 KKWFGLQHEJKWGN-CQSZACIVSA-N 304.390 2.129 0 40 DEAB Cc1ncsc1-c1ccc(C(=O)N2CCCN(C)CC2)cn1 257337979 YVGYYUWFPPBMRL-UHFFFAOYSA-N 316.430 2.291 0 40 DEAB CO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)C[C@@]12CCCO2 257202502 AMDLIBXKPCPLAZ-RDJZCZTQSA-N 300.358 2.188 0 40 DEAB O=C(c1cc2c(s1)CCC2)N1CCO[C@H](c2cnccn2)C1 257294454 QUFKCTJRDKPRJB-ZDUSSCGKSA-N 315.398 2.241 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccncc2)C[C@H]1c1ccccc1 257244904 INHXOZLMXDLTTF-KRWDZBQOSA-N 309.369 2.127 0 40 DEAB CC(C)CC(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575406138 WOKJSRINFKCATE-AWEZNQCLSA-N 304.390 2.267 0 40 DEAB Cc1n[nH]cc1CN1CCC[C@](O)(COc2ccc(F)cc2)C1 585273737 DRAWRIZRPRFLPR-QGZVFWFLSA-N 319.380 2.263 0 40 DEAB O=C(CCc1cccnc1)N1CC[C@H](Cc2ccccc2)[C@@H](O)C1 585279974 UTMWHAJQYYTVNY-MOPGFXCFSA-N 324.424 2.466 0 40 DEAB C[C@@H](C(=O)NCc1nccs1)N1CCc2ccccc2C1 71897875 YFPNGZKRPUMFPI-LBPRGKRZSA-N 301.415 2.206 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)[C@H]1CCCO1 34892023 YAFCLAUCOVVMSA-RWMBFGLXSA-N 312.410 2.070 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2F)C1=O 47359331 ZKFATYMSKPHBDQ-MRXNPFEDSA-N 324.327 2.347 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1)C(=O)N(C)C 56875740 IWZYDLDCCIYYDW-IUODEOHRSA-N 321.396 2.019 0 40 DEAB COc1ccsc1S(=O)(=O)NCc1cc(Cl)cn1C 95415354 QXAFENDWGZEMHG-UHFFFAOYSA-N 320.823 2.227 0 40 DEAB O=C(Cc1cccc(F)c1F)N[C@H]1COc2ccccc2C1=O 95463114 OUQYLWGGGHHZAX-ZDUSSCGKSA-N 317.291 2.267 0 40 DEAB Cc1nccc(C(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)n1 79837902 KCPCODAWIMXHJM-HNNXBMFYSA-N 312.373 2.001 0 40 DEAB CN(C)S(=O)(=O)Oc1ccccc1SC(F)(F)F 97000229 OOSZOPXRXLGCKD-UHFFFAOYSA-N 301.311 2.484 0 40 DEAB Brc1cnn(CC2CN(C[C@H]3CCCOC3)C2)c1 1889065074 OTVHPQFNDYZKFV-LLVKDONJSA-N 314.227 2.004 0 40 DEAB Cn1c(=O)c2nc(SCc3ccncc3)[nH]c2n(C)c1=S 17379707 KAVVXZNXNQTZGB-UHFFFAOYSA-N 319.415 2.017 0 40 DEAB CCN1C(=O)C[C@H](N2CCC(c3ccc(F)cc3)CC2)C1=O 18222839 CCANMQPYIPZYTG-HNNXBMFYSA-N 304.365 2.153 0 40 DEAB O=C(CCN1CCOCC1)c1ccc2c(c1)OCCCCO2 19596486 FTBKNYCCQYGXFW-UHFFFAOYSA-N 305.374 2.143 0 40 DEAB Cc1cnc(S(=O)(=O)Cc2ncc(Cl)cc2Cl)nc1 163430652 IPFQKBJRDXLANR-UHFFFAOYSA-N 318.185 2.461 0 40 DEAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccn1)[C@H]1C=C[C@H]2C12CC2 102987486 AJAREDDGADPXDS-AAXDQBDMSA-N 300.745 2.437 0 40 DEAB COc1ccccc1NC(=O)CN1CC(=O)Nc2ccccc21 3357579 NXBHSJNRHDGCAR-UHFFFAOYSA-N 311.341 2.092 0 40 DEAB CC1=C(C)C[S@](=O)N(S(=O)(=O)c2ccc(Cl)cc2)C1 5103484 SBLYSFKKDRQLIT-GOSISDBHSA-N 319.835 2.344 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2ccco2)C[C@H](C)O1 21063940 RVWPNDSDBRVEPF-KBPBESRZSA-N 308.422 2.216 0 40 DEAB CCOc1ccc(S(=O)(=O)NCC(C)C)cc1OCC 8040586 PCNITWOEJTWMMN-UHFFFAOYSA-N 301.408 2.418 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)c2c(Br)cnn2C)C1 28575867 FVBOPDIVIOQDAG-RKDXNWHRSA-N 300.200 2.301 0 40 DEAB COC(=O)C[C@H]1CN(Cc2ccc(Cl)cc2F)CCO1 163937733 UXMDAHRYWYHWOB-LBPRGKRZSA-N 301.745 2.243 0 40 DEAB O=C(OC1CCOCC1)N1CCC(Oc2ccncc2)CC1 239808085 KGVISQSFDISTGK-UHFFFAOYSA-N 306.362 2.240 0 40 DEAB CC(C)CS(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13696971 QTEBMBWBCRSVFN-UHFFFAOYSA-N 322.430 2.383 0 40 DEAB Cc1cccn2c(=O)c(C(=O)N[C@@H](C)c3ccccc3)c(O)nc12 8604700 VAWPOTPBNGEDFQ-LBPRGKRZSA-N 323.352 2.200 0 40 DEAB O=S(=O)(c1ccc2c(c1)CCO2)N1CCOc2ccccc21 40074747 PMTWLLHOAZYTER-UHFFFAOYSA-N 317.366 2.209 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1cc(C(C)(C)C)nn1C 40479579 XUJJPXRRXBCQQT-UHFFFAOYSA-N 303.410 2.249 0 40 DEAB Cc1ccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1 20488620 DTUSEXOOKZUWPM-UHFFFAOYSA-N 306.365 2.415 0 40 DEAB COc1cccc(NC(=O)c2ccc3c(c2)NC(=O)CN3C)c1 40555828 NRJYXGFDXMXNQQ-UHFFFAOYSA-N 311.341 2.336 0 40 DEAB COc1c2c(cc3c1[C@@H](n1nc(C)cc1C)N(C)CC3)OCO2 20758059 JQQASTAMFOAACM-QGZVFWFLSA-N 315.373 2.272 0 40 DEAB biogenic C[C@H](NC(=O)C(=O)[C@H]1C(=O)Nc2ccccc21)c1ccccc1 102232062 FNISCXVVIRBHKZ-NHYWBVRUSA-N 308.337 2.169 0 40 DEAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ncccc1O 32841706 HVWILWWKSIFNPA-UHFFFAOYSA-N 316.342 2.470 0 40 DEAB Cc1nn(CC(=O)N2CCC[C@H]2Cn2cccn2)c(C)c1Cl 69968507 CUAAGBQNXKXLQT-ZDUSSCGKSA-N 321.812 2.041 0 40 DEAB Cc1cc([C@H](C)NC(=O)NCc2ncnn2C)cc(C)c1F 76088701 WYHFZMOLGLDYCD-NSHDSACASA-N 305.357 2.131 0 40 DEAB O=C(O)CCc1nc2ccccc2c(=O)n1Cc1ccccc1 1556704 PQIKBEJLCXECHM-UHFFFAOYSA-N 308.337 2.462 0 40 DEAB Oc1ccccc1N1CCN(Cc2cnc3ccccn23)CC1 78876242 ZJYSHTURBGRAAK-UHFFFAOYSA-N 308.385 2.362 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@H]2c3ccccc3O[C@H]3CCCC[C@]312 4028835 SEVNYVDCZGGKSS-XSWJXKHESA-N 315.369 2.358 0 40 DEAB biogenic C[C@H](Sc1nnnn1C)C(=O)N1CCC[C@H]1c1cccs1 22785032 BPSXMSWLAKMURL-UWVGGRQHSA-N 323.447 2.116 0 40 DEAB NC(=O)[C@@H](NC(=O)COc1ccc(Cl)cc1)c1ccccc1 53945011 CCXMJNQBFLYTBC-HNNXBMFYSA-N 318.760 2.062 0 40 DEAB CC(C)OC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 914895 LXZZUERZFVJJNY-UHFFFAOYSA-N 306.387 2.288 0 40 DEAB CCC(=O)N[C@H](N1C[C@@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 33909678 VJEWQZCTQBQROB-NQMVMOMDSA-N 317.644 2.318 0 40 DEAB Cc1ccnc2nc(C(=O)OCc3cccc(Cl)c3)nn12 8346093 KFHUOHRRCAKXTA-UHFFFAOYSA-N 302.721 2.443 0 40 DEAB Cc1noc([C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 54679445 MPRBFRABIBWHSY-CQSZACIVSA-N 321.402 2.087 0 40 DEAB NC[C@H]1CC[C@H](C(=O)Nc2ccc(Cn3cncn3)cc2)CC1 100209420 OXHGQIQVJJYKQL-OTVXOJSOSA-N 313.405 2.030 0 40 DEAB CCCCC1(CCc2ccncc2)C(=O)N(C)C(=O)N(C)C1=O 59417323 OYQAQUNDPBDTBK-UHFFFAOYSA-N 317.389 2.241 0 40 DEAB COc1cc(F)ccc1NC(=O)CCNC(=O)c1ccco1 25308965 MKOPCMPTJXHDSF-UHFFFAOYSA-N 306.293 2.186 0 40 DEAB COC(=O)c1cccc(NS(=O)(=O)c2c(C)noc2C)c1C 28249526 RCRRDARLKPDXLI-UHFFFAOYSA-N 324.358 2.187 0 40 DEAB O=[P@](O)(CC[P@](=O)(O)c1ccccc1)c1ccccc1 1600154 FYLYSEXHKNLCOF-UHFFFAOYSA-N 310.226 2.178 0 40 DEAB in-vitro O=C(O)[C@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 62119117 TZOBRCABHQEZBI-QMMMGPOBSA-N 318.156 2.305 0 40 DEAB CC(=O)N[C@H](CC(=O)Nc1cn[nH]c1)c1ccc(Cl)cc1 48261594 QAXGFFSCOCKQQS-CYBMUJFWSA-N 306.753 2.269 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 58101187 UJJJBPNVEDECEW-ZDUSSCGKSA-N 309.373 2.316 0 40 DEAB CCc1cccc(C)c1NC(=O)CN1CCCC[C@H]1CC(N)=O 58146792 YFCVHVGEZYVPNH-HNNXBMFYSA-N 317.433 2.226 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1nccn1C 44890766 DQSXOXXCZMOQNY-QGZVFWFLSA-N 324.384 2.473 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 44867079 VRAFXBCIPOLCRD-GFCCVEGCSA-N 309.337 2.006 0 40 DEAB CCc1cc(=O)n(CC(=O)N2CCCC2)c(-c2ccccc2)n1 57527049 QOSGGQHXEUCCSU-UHFFFAOYSA-N 311.385 2.095 0 40 DEAB Cc1cc(C)n2nc(SCC(=O)N3CCCC[C@H]3C)nc2n1 3392572 YBRYFHZKRRKWDU-LLVKDONJSA-N 319.434 2.234 0 40 DEAB CCNC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F 84789448 UBMMZNQWMVAOMR-NWDGAFQWSA-N 324.371 2.347 0 40 DEAB CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(CO)o1 84736337 DSQLLZBVEGTICX-BBRMVZONSA-N 308.422 2.145 0 40 DEAB CN1N=C(C(=O)Nc2ccc(N3CCCCC3)cc2)CCC1=O 8780353 VAXZMVFPFSPIRI-UHFFFAOYSA-N 314.389 2.224 0 40 DEAB Cc1ccccc1[C@@H](O)CNS(=O)(=O)Cc1ccccc1F 95433110 GQLMOTSLTMCSDU-INIZCTEOSA-N 323.389 2.287 0 40 DEAB CN(C)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2)cc1 2617458 DEUFEDRUPOJLGX-UHFFFAOYSA-N 311.403 2.426 0 40 DEAB Cn1cc([C@@H](O)CN[C@H]2CC3(CCC3)Oc3ccccc32)cn1 95423304 BCKMMLAXHHBIGE-HOTGVXAUSA-N 313.401 2.490 0 40 DEAB O=C(O)Cc1csc(NC(=O)CCc2ccc(F)cc2)n1 13407042 HWCKZSKVJWOCJZ-UHFFFAOYSA-N 308.334 2.481 0 40 DEAB CCCc1nc(C)c(C(=O)N(CC(N)=O)C2CCCC2)s1 65495641 TWMMEVCRDCGMSA-UHFFFAOYSA-N 309.435 2.274 0 40 DEAB COc1ncnc(OC)c1C(=O)N(C)Cc1ccccc1Cl 65591081 NBKYPXQKOUSURL-UHFFFAOYSA-N 321.764 2.419 0 40 DEAB O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccnc1 4749339 RTAAABZZULEJGD-UHFFFAOYSA-N 304.371 2.025 0 40 DEAB COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)CC(C)C 9233118 JBDFIJVAPPSGAS-UHFFFAOYSA-N 316.401 2.468 0 40 DEAB CC(=O)c1cccc(NC(=O)CSc2nnc(C)n2C)c1 7234961 DHFHFCRKIMLHBE-UHFFFAOYSA-N 304.375 2.057 0 40 DEAB Cc1noc(C)c1CN1C(=O)C[C@@]2(CCc3ccccc32)C1=O 96004445 PFYRIEOIGVQBCI-GOSISDBHSA-N 310.353 2.435 0 40 DEAB C[C@@H](NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O)C1CCC1 96010082 ZECNMESNZJYWOK-DOMZBBRYSA-N 316.405 2.065 0 40 DEAB CN(CC(=O)N1CCC[C@@H]1c1cnn(C)c1)Cc1ccccc1 71796580 ZIJSPXVVJDVGHW-QGZVFWFLSA-N 312.417 2.216 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cnccn1 68889809 JOMXZCCVQAVIFP-CQSZACIVSA-N 300.362 2.027 0 40 DEAB CC(C)c1ccc(NC(=O)[C@@H](C)N2CCC[C@H](C(N)=O)C2)cc1 8171678 PDOCOKNUBPUSJQ-HIFRSBDPSA-N 317.433 2.334 0 40 DEAB NC(=O)c1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 27749358 OOIUKQZKBUIVJB-UHFFFAOYSA-N 323.352 2.165 0 40 DEAB CCn1ccnc1CN1CCC([C@H]2CCCCN(C)C2=O)CC1 72372018 JKUXXXRLDMFVJR-MRXNPFEDSA-N 318.465 2.374 0 40 DEAB CCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8247894 XBXRWHSGZCHHCN-CHWSQXEVSA-N 304.390 2.353 0 40 DEAB O=C1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCN1 8328350 USYZWDKFZASMLN-UHFFFAOYSA-N 314.316 2.190 0 40 DEAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2cccnc2)n1C 8328243 PWXZKTQCSVUXAY-NSHDSACASA-N 319.434 2.130 0 40 DEAB CCOCCCN(C[C@H](C)C(=O)OC)C(=O)c1cccs1 71606655 VPSIAOXMGUQILU-LBPRGKRZSA-N 313.419 2.426 0 40 DEAB COc1ccc(CN(CCN)[C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 22579153 UAAWLEXGHZWUTA-IIDMSEBBSA-N 305.466 2.185 0 40 DEAB COc1ccccc1[C@H]1C[C@H]1NC(=O)NCc1cc(C)on1 69737707 XXRJHNYAOCXUBD-ZIAGYGMSSA-N 301.346 2.347 0 40 DEAB CN(C[C@@H](O)c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1 69842888 FGOZVXDCHMYNIL-IAGOWNOFSA-N 312.417 2.111 0 40 DEAB CCc1nn2c(=O)cc(COC(=O)C3(C)CCCC3)nc2s1 83834249 FJXOWNINHMQBAK-UHFFFAOYSA-N 321.402 2.337 0 40 DEAB COC(=O)c1ccccc1CCc1nc([C@@H]2CCOC2)no1 95443089 VRANMPSKXJOLPL-GFCCVEGCSA-N 302.330 2.145 0 40 DEAB CC(C)N(CCNC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)C1CC1 95404590 GCSLSOAMFLZTQA-ZXFUBFMLSA-N 322.497 2.174 0 40 DEAB CN1CC[C@@H](SCc2ccc(OCC(F)(F)F)nc2)C1=O 97019965 GYSBSAUFIJFHQB-SNVBAGLBSA-N 320.336 2.487 0 40 DEAB CCc1cc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)[nH]n1 97017498 YPNAQIZPBOAXER-LBPRGKRZSA-N 305.309 2.057 0 40 DEAB COCCN1CCC(CNC(=O)c2ccc(Cl)o2)CC1 89414423 VZDQMJSNULCZMZ-UHFFFAOYSA-N 300.786 2.021 0 40 DEAB C[C@H](OCC1CC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124132 TXHCEHKAPPMARQ-ZETCQYMHSA-N 304.268 2.147 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2nc(C)cs2)c1C 28577661 HBMIYDJPVYEPFS-UHFFFAOYSA-N 300.409 2.086 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccoc1 123913194 QUCVHVPJSJAENX-LBPRGKRZSA-N 308.378 2.290 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCN(CC(=O)O)C1 79413842 SMBRAMRSAPGCON-HNNXBMFYSA-N 320.389 2.193 0 40 DEAB CNC(=O)[C@H]1CCCN(C(=O)Nc2cc(F)ccc2Cl)C1 79355735 IQOMAODRHPBLLT-VIFPVBQESA-N 313.760 2.469 0 40 DEAB C[C@H](NC(=O)c1cnc2sccn2c1=O)c1ccc(F)cc1 72765931 BKAGDRMHIZAVGD-VIFPVBQESA-N 317.345 2.386 0 40 DEAB COc1ccc(/C=C/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 211858753 QYKBQVICAKIHCQ-TWKNZMHGSA-N 319.338 2.372 0 40 DEAB Cc1cc(C)n(-c2ccc(NC[C@@H](O)C3CCCC3)nn2)n1 77981068 SPJJRUYRDCHAMP-CQSZACIVSA-N 301.394 2.242 0 40 DEAB CCC(=O)[C@@H]1CCCCN1S(=O)(=O)c1sc(C)nc1C 185943611 AGUCCDXUAKELRD-NSHDSACASA-N 316.448 2.282 0 40 DEAB O=C(Cc1nc2ncccn2n1)NC1(c2ccccc2)CCCC1 70954366 JTBZWFDLTBRQCZ-UHFFFAOYSA-N 321.384 2.253 0 40 DEAB Cc1cc(S(=O)(=O)N(C)CCn2cccn2)sc1Cl 187904573 WFOQKCLVWJVQEB-UHFFFAOYSA-N 319.839 2.227 0 40 DEAB COc1ccc([C@H]2[C@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 72242100 SETYCMRVBIHVAK-WBVHZDCISA-N 318.417 2.377 0 40 DEAB Cc1cccc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)c1 40776374 ICQIIVXXDWBTQD-GOSISDBHSA-N 310.353 2.401 0 40 DEAB NC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 78979099 AGTHBCBQHKYVKR-JTQLQIEISA-N 313.760 2.142 0 40 DEAB COc1cc(C)n(CCNC(=O)Nc2cccs2)c(=O)c1 238830511 FUMFHLVQXPJFPY-UHFFFAOYSA-N 307.375 2.049 0 40 DEAB O=C(c1cc(-c2ccoc2)[nH]n1)N1CCOC[C@@H]1C1CCC1 572527094 PSAFEHVTMYPXCA-OAHLLOKOSA-N 301.346 2.311 0 40 DEAB CCOCCCNC(=O)Cn1ccc(=O)c2c(C)cc(C)cc21 225757287 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CC(=O)N1CC[C@H](C(=O)N(C)c2ccc3nc(C)sc3c2)C1 81651363 YYKASDRBCRCDQV-LBPRGKRZSA-N 317.414 2.436 0 40 DEAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2c(C(N)=O)oc3ccccc23)cn1 69159786 PHZCCGHJPDFGRM-NWDGAFQWSA-N 324.340 2.007 0 40 DEAB C[C@H]1CN(C(=O)Cc2cccc(Br)c2)C[C@H](C)N1 70076462 GCTONJNMRQSOTI-QWRGUYRKSA-N 311.223 2.200 0 40 DEAB CC(=O)N(C)C1CCN(C(=O)c2cccc3c2ccn3C)CC1 69457921 HERUGHTXNZMDKC-UHFFFAOYSA-N 313.401 2.261 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@H]2Cn2nc(C)cc2C)cn1 71870214 PMVDGWXIDJTDHB-KRWDZBQOSA-N 312.417 2.437 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)Nc1cccc2c1ccn2C 69653931 HDDFLKLLFZLUAY-UHFFFAOYSA-N 324.388 2.380 0 40 DEAB CC(C)(C)c1n[nH]cc1CNC[C@H](O)COc1ccc(F)cc1 71825390 SLPHJAVONXUOOW-AWEZNQCLSA-N 321.396 2.376 0 40 DEAB C[C@@H](NCCCn1c(=O)oc2ccccc21)[C@@H](C)n1cccn1 69950711 GDVGFNILSOYGQG-ZIAGYGMSSA-N 314.389 2.420 0 40 DEAB CC(C)(C)OC(=O)C1CCC(NC(=O)c2cnccn2)CC1 94123603 ZVRSUPKTAFAMRE-UHFFFAOYSA-N 305.378 2.107 0 40 DEAB CC(C)c1noc2nc(C3CC3)cc(C(=O)N3CC[C@H](N)C3)c12 97019996 WHNGPHUVYXYDSS-NSHDSACASA-N 314.389 2.397 0 40 DEAB CCc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)O)o1 97036389 NPNGYTUYSLQLTK-ZDUSSCGKSA-N 305.305 2.407 0 40 DEAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)N1C[C@H]2CC=CC[C@@H]2C1 72552825 BGBIOQLHVUXSCR-FMKPAKJESA-N 316.405 2.492 0 40 DEAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3cnc(C)s3)C2)o1 84258983 PIOPNBMLEFDZQD-CYBMUJFWSA-N 306.435 2.454 0 40 DEAB COc1ccc([C@H](CC(=O)NCc2ccco2)NC(C)=O)cc1 72680510 QWYYHFSCCNJEKS-INIZCTEOSA-N 316.357 2.172 0 40 DEAB O[C@@H](CNCc1c[nH]nc1-c1cccnc1)c1ccccc1F 97159157 KCNKDHLHOLNJMP-INIZCTEOSA-N 312.348 2.434 0 40 DEAB CN(c1ccc2nccnc2n1)[C@H]1CCN(c2ccccc2)C1=O 95403247 CQWBIFIDIXRLSF-HNNXBMFYSA-N 319.368 2.267 0 40 DEAB C[C@@H](CNC(=O)Nc1cc(-c2ccccc2)on1)[S@](C)=O 95973942 ACQMYJPASIBAEL-CHNSCGDPSA-N 307.375 2.230 0 40 DEAB CO[C@@H]1C[C@H](N(C)c2ncnc3c2nnn3C(C)C)C12CCC2 1550625856 RSCSECGXPIAMFY-NWDGAFQWSA-N 316.409 2.196 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2nncn2C)c2ccc(F)cc2n1 69493707 XZTDWYYPAHQQOB-SNVBAGLBSA-N 313.336 2.302 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)c1 32088666 CGEXECLPIWDDDR-MRXNPFEDSA-N 321.340 2.104 0 40 DEAB CN(CC1(N(C)C)CCC1)C(=O)NCC(C)(C)c1ccncc1 187352525 BVACDRKAZIQYMM-UHFFFAOYSA-N 318.465 2.485 0 40 DEAB CC(C)C[C@@H]1COCCN1C(=O)NCCc1nc(C(C)C)no1 79306073 CXMUCYKOYBKMHJ-CYBMUJFWSA-N 324.425 2.192 0 40 DEAB Cn1ccnc1COc1ccc(COC(=O)[C@@H]2CCCO2)cc1 78406507 AFHPCIQOVZEECE-HNNXBMFYSA-N 316.357 2.221 0 40 DEAB CC(C)(C)OC(=O)N1CCC([C@](O)(CN)c2ccccc2)CC1 72208123 UKSVOIZZSYDZTQ-SFHVURJKSA-N 320.433 2.480 0 40 DEAB O=C(O)c1cc(=O)n(-c2ccc(Oc3ccccc3)cc2)c(=O)[nH]1 222650602 CTPORLZWCGYCHN-UHFFFAOYSA-N 324.292 2.016 0 40 DEAB CC(C)OC(=O)[C@H](CCC(=O)O)NC(=O)OCc1ccccc1 40844990 NRSCPJKMEAHSJF-ZDUSSCGKSA-N 323.345 2.098 0 40 DEAB CCCCc1ccc(C[C@H](C(=O)O)N2CCN(C)CC2)cc1 225150111 SNBTZPSIOONAJY-QGZVFWFLSA-N 304.434 2.272 0 40 DEAB O=C(O)CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 43584775 RFBSXBRLVKIEGC-NSHDSACASA-N 315.366 2.091 0 40 DEAB CC(C)c1noc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 40714530 ZOTDKQUPLJDSFF-GFCCVEGCSA-N 303.366 2.294 0 40 DEAB CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)O 41127920 WQKHDOJQZDOQQC-QGZVFWFLSA-N 316.357 2.096 0 40 DEAB O=C(N1CCC(n2cc(Cl)cn2)CC1)C1(O)CCCCC1 225568034 GMPPVXWHSDJHGD-UHFFFAOYSA-N 311.813 2.395 0 40 DEAB O=C(/C=C/c1ccco1)NCC1CCN(c2ncccn2)CC1 43976772 IAQKPKQBCJTEJP-SNAWJCMRSA-N 312.373 2.116 0 40 DEAB Cc1cccc(Cl)c1NC(=O)NC[C@@H](C)N1CCOCC1 132879105 JWHVYQHTXVESPC-GFCCVEGCSA-N 311.813 2.491 0 40 DEAB O=C(O)c1sccc1CN1CCNC(=O)[C@@H]1c1ccccc1 577958183 YACFBBCOFYXAOP-ZDUSSCGKSA-N 316.382 2.119 0 40 DEAB CCOC[C@H]1CN(C(=O)Cc2cccs2)Cc2cn(C)nc21 96111087 CDQZKPUJEHGDCH-CYBMUJFWSA-N 319.430 2.187 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)Cc2cncs2)C[C@H]1c1ccccc1 578507389 PABKUHZTHFYGNI-UONOGXRCSA-N 316.382 2.012 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)NC[C@](C)(O)c1ccsc1 96450389 QCXONQHGEWNERV-JFDDCEBESA-N 319.430 2.136 0 40 DEAB CSC[C@H](C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1 96472659 OOBGHXLNZDHULU-NSHDSACASA-N 302.465 2.091 0 40 DEAB Cc1nccn1-c1cncc(NC[C@H](C)CN2CCCC2)n1 97104566 IRJISIMIUFKAQC-ZDUSSCGKSA-N 300.410 2.115 0 40 DEAB CC[C@@H](NS(=O)(=O)CCC(F)(F)F)C1CCOCC1 330031560 AEKWAPQLCSHBHF-SNVBAGLBSA-N 303.346 2.063 0 40 DEAB CC(C)C(=O)NCCCNC(=O)N[C@H]1CCc2c(F)cccc21 96484956 SRYGISCMZHLOQI-HNNXBMFYSA-N 321.396 2.275 0 40 DEAB c1cc(-c2ncnc3c2CCN(CC2CCOCC2)CC3)ccn1 96255261 PQLCJVCNXIPOOH-UHFFFAOYSA-N 324.428 2.366 0 40 DEAB CC(C)CN1C(=O)[C@]2(CCN(C(=O)N(C)C)C2)c2ccccc21 96244828 CVEUEYPPQFWYRJ-SFHVURJKSA-N 315.417 2.314 0 40 DEAB O=C([C@@H]1CCO[C@@H]2CCN(Cc3ccoc3)C[C@@H]21)N1CCCC1 96043433 MZHXUVCNBOVNBQ-BRWVUGGUSA-N 318.417 2.129 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3c2cnn(C)c2)s1 96245983 QFDDOQBKLRTRGF-GJZGRUSLSA-N 316.430 2.170 0 40 DEAB O=C(/C=C/c1ccco1)N[C@H](Cn1nccn1)c1ccccc1 253399419 JDJIINSSZVTQGK-ROJDOSBLSA-N 308.341 2.442 0 40 DEAB Cc1nc(C2CCN(C(C)C)CC2)cc(N2CCOC2=O)n1 257286135 PKLIMCYUOKRBSD-UHFFFAOYSA-N 304.394 2.329 0 40 DEAB Cc1ccc(CN2CCC[C@]2(C(=O)N(C)C)c2cnccn2)cc1 257321094 WABDYFBGLFTKIS-LJQANCHMSA-N 324.428 2.365 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCCC[C@@H]1c1ccn[nH]1 257292803 QMZTXAQMGMMYPX-OAHLLOKOSA-N 322.372 2.358 0 40 DEAB Cc1nc(C(=O)N2CC[C@](C(=O)O)(C(F)(F)F)C2)c(C)s1 263039222 PDAFGQRZHJVJMV-NSHDSACASA-N 322.308 2.239 0 40 DEAB O=C(CSc1ccc(F)cc1)N1CC(Nc2cccnn2)C1 618255370 BTQYXSWQNZAZDD-UHFFFAOYSA-N 318.377 2.031 0 40 DEAB O=S(=O)(Cc1ccccc1)NC[C@H]1CCCCN1C1CC1 277418267 ACBFPAXPEXGWMU-MRXNPFEDSA-N 308.447 2.123 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575402810 CUXLZRMURBSPLE-LBPRGKRZSA-N 322.405 2.486 0 40 DEAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCC12CCOCC2 585409998 YBOLIPKTUSONGG-OAHLLOKOSA-N 303.358 2.033 0 40 DEAB C[C@]1(c2cc(F)ccc2F)NC(=O)N(c2ccncc2)C1=O 65549145 QNXCRWGNMXGEEL-OAHLLOKOSA-N 303.268 2.331 0 40 DEAB Cc1noc([C@H](C)N2CCN(Cc3cccc(F)c3)CC2)n1 69414684 IRNDHBLICYDPOM-LBPRGKRZSA-N 304.369 2.396 0 40 DEAB O=S(=O)(CCN1CCOc2ccccc2C1)c1ccccc1 76848135 DBIKDXRUKQSDRD-UHFFFAOYSA-N 317.410 2.355 0 40 DEAB CN(C[C@@H]1CCOC1)C(=O)Nc1nnc(C(F)(F)F)s1 78469059 VSUNIGMJGVEBQS-LURJTMIESA-N 310.301 2.057 0 40 DEAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)OC(C)(C)C 108642137 PDSXHFFFVWJTIG-SNVBAGLBSA-N 314.407 2.262 0 40 DEAB CSCC[C@H](N)C(=O)N(C)Cc1ccc(Br)o1 40468320 DXWXKMVMNSAVLC-VIFPVBQESA-N 321.240 2.081 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 79394298 NGDOIPZWTZBHAN-MSOLQXFVSA-N 317.477 2.483 0 40 DEAB CN(C)CCN1C(=O)c2ccccc2N(C)C(=O)c2ccccc21 5525831 JRBXXARYECIAQB-UHFFFAOYSA-N 323.396 2.485 0 40 DEAB CCCc1cc(CNC(=O)[C@H]2OCOc3ccccc32)on1 12192552 APSXVCBCYNOWGL-HNNXBMFYSA-N 302.330 2.351 0 40 DEAB O=C(O)c1ccc(C(=O)O)c(NC(=O)c2ccc(F)cc2)c1 13391914 MWMGNUFKZFPGOK-UHFFFAOYSA-N 303.245 2.474 0 40 DEAB CCCC1=C(C(=O)OC)[C@H](c2cccnc2)n2nc(C)nc2N1 14163455 IZBSXBVTOZOGIE-AWEZNQCLSA-N 313.361 2.224 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2cnccn2)C1 607854965 VVHNBMJOZOVVAP-CYBMUJFWSA-N 311.341 2.225 0 40 DEAB Cc1cccc(CN2CCO[C@H](C(=O)N3CCCCC3)C2)c1 1888846789 RTIKEGISGRIQHM-KRWDZBQOSA-N 302.418 2.208 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)c1nn(C)cc1Br 2738695 WOPVHNPLEYXXMT-PSASIEDQSA-N 300.200 2.491 0 40 DEAB Cc1cc(N2CCO[C@H]3CN(C(=O)/C=C/C(C)C)C[C@@H]32)ccn1 2056224986 NTIXDIBJUXZDBZ-XLYSIVADSA-N 315.417 2.018 0 40 DEAB CCOc1ccc(CCNC(=O)N2CCOCC2)cc1OCC 33719 XSYHSZLBZHGYNT-UHFFFAOYSA-N 322.405 2.068 0 40 DEAB CC[C@@H](C(=O)OCC(=O)NC[C@H]1CCCO1)c1ccccc1 28288527 PJSPMCPHCJCYRP-HUUCEWRRSA-N 305.374 2.019 0 40 DEAB O[C@H](CNc1ncnc2cnccc12)c1ccc2c(c1)CCO2 1775971458 OSTCTUCGWSHKDG-OAHLLOKOSA-N 308.341 2.105 0 40 DEAB O=C(NCc1cn(Cc2cccc(F)c2)nn1)c1cccs1 1775967883 FOLKMAWCUYTOJL-UHFFFAOYSA-N 316.361 2.457 0 40 DEAB CC(C)[C@@H](Cn1ccnn1)NC(=O)CSc1ccc(F)cc1 575617688 ZMBFIUUGDIBGPA-CQSZACIVSA-N 322.409 2.350 0 40 DEAB C[C@H](CNC(=O)N1CCCC[C@@H]1c1cn[nH]c1)Cn1cccn1 97234586 BXTIMIFJHXLCLM-UKRRQHHQSA-N 316.409 2.179 0 40 DEAB O=C(Nc1ccncc1)C1CCN(c2ccc(Cl)nn2)CC1 30600888 HSFFNVDTGBJPLG-UHFFFAOYSA-N 317.780 2.380 0 40 DEAB CCN1C(=O)C[C@H](Nc2ccc(OC(F)(F)F)cc2)C1=O 100215100 WMRZIFDODGKACD-JTQLQIEISA-N 302.252 2.145 0 40 DEAB COc1cccc2ccn(CCC(=O)NCCCC(=O)O)c12 40309226 UNJVFRWOLSBVDB-UHFFFAOYSA-N 304.346 2.021 0 40 DEAB biogenic O=C(CNC(=O)c1ccoc1)NC1(c2ccc(F)cc2)CCC1 51419055 SJOSOPNBBPQQTR-UHFFFAOYSA-N 316.332 2.344 0 40 DEAB O=C1/C(=C/c2ccccc2O)NC(=S)N1Cc1ccco1 101447627 YWJCKEMJKATDPM-WQLSENKSSA-N 300.339 2.243 0 40 DEAB Cn1ncc(Cl)c1C(=O)Nc1ccc(Br)cn1 375990 YVOWKVCKNGMTIQ-UHFFFAOYSA-N 315.558 2.483 0 40 DEAB CCCCN(C)S(=O)(=O)NCCCOc1ccccc1 32825679 ITVGCEXWFWKMGX-UHFFFAOYSA-N 300.424 2.022 0 40 DEAB Cc1c(C(=O)Nc2cnc(C3CC3)nc2)cnn1-c1ccccn1 103018596 VDTSBYGXMOLQDO-UHFFFAOYSA-N 320.356 2.495 0 40 DEAB Cc1csc([C@H]2CCCN(C(=O)COC[C@@H]3CCCO3)C2)n1 72298874 DCBMPNPYIIINLQ-KBPBESRZSA-N 324.446 2.353 0 40 DEAB CCO[C@H]1C[C@H](N(C)C(=O)CCn2cncn2)C12CCCCC2 76022993 ACVNNIDLQNVKFZ-GJZGRUSLSA-N 320.437 2.255 0 40 DEAB CCCn1nnnc1SCC(=O)N1CCCc2ccccc21 1357461 KLJZTXWRIKCTIY-UHFFFAOYSA-N 317.418 2.155 0 40 DEAB CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(S(C)(=O)=O)cc1-2 1701590 LWCNFUUXABCYEP-UHFFFAOYSA-N 315.350 2.260 0 40 DEAB CCCCn1nnnc1CN1CCC[C@@H]1c1c(C)nn(C)c1C 72253557 WRTIFTIVDUSDHS-CQSZACIVSA-N 317.441 2.161 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2CCO[C@H]3CCC[C@@H]32)c1 53384817 WVLVZFAYUZQNCS-IRXDYDNUSA-N 314.385 2.430 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)Nc1cccnc1OC 79100445 RUCQKYYDZUNYLP-RYUDHWBXSA-N 321.377 2.334 0 40 DEAB Cc1nnc2ccc(N[C@H]3CCCN(c4ccccc4)C3=O)nn12 79311325 KQLFNGTWYMXTHD-AWEZNQCLSA-N 322.372 2.040 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2cccc3c2OCO3)no1 72299653 NLPXFMICDFVOKH-NSHDSACASA-N 315.329 2.338 0 40 DEAB COc1cc([C@@H]2CC(=O)Nc3ncnn32)ccc1OCC(C)C 6159676 ZAXFUAGHKILEGK-LBPRGKRZSA-N 316.361 2.253 0 40 DEAB C[C@H](CNC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 23081298 UQQJEIPJMLGWBI-CQSZACIVSA-N 321.380 2.316 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 23458830 LWAOPNOJMIQXPF-UHFFFAOYSA-N 305.378 2.083 0 40 DEAB CC1CCN(CCNC(=O)c2ccn(-c3ccccc3)n2)CC1 54779976 FCQPZCIFDOMMGQ-UHFFFAOYSA-N 312.417 2.334 0 40 DEAB C[C@@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)C[C@@H](C)O1 12540377 ZJGQSHRFLIXCMG-VXGBXAGGSA-N 303.337 2.261 0 40 DEAB COc1ccccc1CNc1nc2[nH]c(C)c(Cl)c(=O)n2n1 100641607 COSDVGBZUINUMB-UHFFFAOYSA-N 319.752 2.000 0 40 DEAB CCOC(=O)C1=C(C)NC(=O)C[C@H]1c1cc(OC)ccc1OC 1467483 PNNFKLKGKJLYKI-ZDUSSCGKSA-N 319.357 2.144 0 40 DEAB CCC[C@H](NC1CCN(C(=O)OCC(C)C)CC1)C(=O)OC 97101172 OYABKEWUBASMIH-AWEZNQCLSA-N 314.426 2.175 0 40 DEAB CC(=O)NCCCc1ccc(C(=O)COC(=O)[C@H]2C[C@@H]2C)cc1 25439623 RIRUOMFZCKPQJG-LRDDRELGSA-N 317.385 2.137 0 40 DEAB O=C(c1ccccn1)N1CCC2(CC1)CC(Nc1ncccn1)C2 108533971 MPSAVSVDTSQSJA-UHFFFAOYSA-N 323.400 2.369 0 40 DEAB Cn1cc(-c2nn3c(Cc4ccc(F)cc4)nnc3s2)cn1 44893277 VNVDKZZRDNHBKK-UHFFFAOYSA-N 314.349 2.316 0 40 DEAB C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)nc2)C[C@@H](C)O1 44914679 OBUCYFSKNKHMDV-ZIAGYGMSSA-N 318.421 2.001 0 40 DEAB CC[C@H](O)CNc1nc2sc3c(c2c2ncnn12)CCCC3 2395370 ODTARMTUUHEXDQ-VIFPVBQESA-N 317.418 2.401 0 40 DEAB O=c1[nH]c(CNC[C@@H]2Cc3ccccc3O2)nc2ccccc12 48343084 UGRQBNRXWHWBCT-ZDUSSCGKSA-N 307.353 2.016 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCOC1 110710413 RRUDBVJBGNYWNW-QWRGUYRKSA-N 312.772 2.211 0 40 DEAB COC(CNC(=S)c1cccc(Br)c1)OC 3419264 ZXORCHXCHASWNA-UHFFFAOYSA-N 304.209 2.333 0 40 DEAB CCOCC(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 79358328 XWDWXNZQJZEXRQ-CRAIPNDOSA-N 320.433 2.231 0 40 DEAB Cc1nc2n(c1C)CCN([C@H](C)c1nc3ccccc3c(=O)[nH]1)C2 65478938 WHJJZLHZANZXOS-CYBMUJFWSA-N 323.400 2.313 0 40 DEAB CCc1ccc(CCC(=O)Nc2nc(CC(N)=O)cs2)cc1 14094895 YQHYXBRFSWJZQQ-UHFFFAOYSA-N 317.414 2.305 0 40 DEAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)Nc2cn[nH]c2)C1 65594245 KFINILCINBGEQA-GFCCVEGCSA-N 313.361 2.292 0 40 DEAB COc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)cn1 14112180 XSRRGHLCRZJNBC-JTQLQIEISA-N 300.314 2.310 0 40 DEAB FC(F)(F)c1ccccc1Cc1nc([C@@H]2COCCN2)no1 96001498 GRJIKGWWVBGZJW-NSHDSACASA-N 313.279 2.340 0 40 DEAB CCOc1ccc(CCNC(=O)c2cccnn2)cc1OCC 4722177 WLAPGGCVCRDMPE-UHFFFAOYSA-N 315.373 2.247 0 40 DEAB C[C@@H]1CCc2nc(NC(=O)CN3CCSC3=O)sc2C1 14707233 MKQUGHLETCYCHS-MRVPVSSYSA-N 311.432 2.375 0 40 DEAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3CN(C)C)cn12 66948791 BAJKSWLJKRRYTG-AWEZNQCLSA-N 300.406 2.199 0 40 DEAB Cc1cc(-n2cc(C(=O)NCc3cccnc3)nn2)ccc1F 67262028 IKYGQCRMQIGFML-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CCOc1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7310605 NTRIZAIKLLSMOJ-WBMJQRKESA-N 320.414 2.478 0 40 DEAB COC(=O)c1c(CC(=O)N2CCC[C@H](C)C2)[nH]c(C(C)=O)c1C 8328910 JMRJFDZBURPNEV-JTQLQIEISA-N 320.389 2.113 0 40 DEAB Cc1ccc(-n2nc(NC(=O)N3CC[C@@H](CO)C3)cc2C)cc1 96493212 ZWTYLTZIMQORDP-CQSZACIVSA-N 314.389 2.335 0 40 DEAB C[C@@H](NCC(=O)NCc1cccnc1)c1ccc(F)c(F)c1 96490729 AWICQVLUKDBGFH-LLVKDONJSA-N 305.328 2.327 0 40 DEAB Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cccnc1 96451100 BZGKZTDPSUROQB-GFCCVEGCSA-N 304.371 2.366 0 40 DEAB CC(C)NC(=O)[C@@H](C)N1CCC[C@H](C(=O)N2CCCCCC2)C1 69593261 KVTVSKSNLCMRAN-CVEARBPZSA-N 323.481 2.014 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(F)c2)nc1 69516128 RSBXIOYXWDVKAE-UHFFFAOYSA-N 301.321 2.240 0 40 DEAB O=C(C1=COCCC1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91764826 KJHMMHNRWCXBSO-SWLSCSKDSA-N 309.312 2.293 0 40 DEAB C[C@@H](NCc1csc(-c2cnn(C)c2)n1)[C@@H](C)n1cccn1 69659373 DLPYLZAAXNAPSD-VXGBXAGGSA-N 316.434 2.479 0 40 DEAB CCCc1noc(CN2CCC[C@@H]2[C@@H]2CCCN2C(=O)CC)n1 69617513 VJRYNUQSWVNSCK-KGLIPLIRSA-N 320.437 2.388 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 69657314 AVMOXDDJUXXAMZ-CYBMUJFWSA-N 312.325 2.081 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C)Oc2ccccc21 69774732 SKXRFRZBFAPEAH-JTQLQIEISA-N 321.402 2.013 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)n1 69894891 VZFVIEJCBOIUJQ-CQSZACIVSA-N 324.388 2.020 0 40 DEAB Cc1cccc(NC(=O)CSc2nnc(C)c(O)n2)c1C 18156212 CRDUDUNIGXOWCP-UHFFFAOYSA-N 304.375 2.233 0 40 DEAB CN(C)C[C@@H]1CN(Cc2coc(-c3ccccc3)n2)CCO1 69947314 XIICPKRYTBRFES-MRXNPFEDSA-N 301.390 2.104 0 40 DEAB C[C@H](N[C@H](C)CC(=O)N(C)C)c1ccc(-n2ccnc2)cc1 8706502 YQFXQFNEYLNEMA-KGLIPLIRSA-N 300.406 2.390 0 40 DEAB CC(C)Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)[nH]n1 97045112 KSBPQKVPMCSTMV-LBPRGKRZSA-N 307.394 2.325 0 40 DEAB CCc1nc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)OC)c[nH]1 83817305 SRZQTVBOBZMIRL-NHYWBVRUSA-N 315.373 2.252 0 40 DEAB CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnccn1 71905568 AZWDFCLTBBEXOJ-INIZCTEOSA-N 322.409 2.146 0 40 DEAB CC(C)C[C@@H](C)OCCC(=O)N[C@H](C)c1nnc2n1CCC2 95410107 DSNVURBDYQHKTG-CHWSQXEVSA-N 308.426 2.243 0 40 DEAB CCc1nn(C(=O)c2ccccc2OC)c(N)c1Br 95469609 KQUCPSMSKDJLSK-UHFFFAOYSA-N 324.178 2.487 0 40 DEAB Cc1ccc(C(=O)NCc2coc(-c3cccs3)n2)c(=O)[nH]1 75119074 CBVQXKUORVZCJB-UHFFFAOYSA-N 315.354 2.330 0 40 DEAB COC(=O)C[C@@H]1CSCCN1Cc1cn2c(C)cccc2n1 89689078 ZNBZZOMGCOKKEW-CQSZACIVSA-N 319.430 2.123 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCc2ccc(F)cc2)c1C 28577812 PZJJORJBTCFRFL-UHFFFAOYSA-N 311.382 2.137 0 40 DEAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1ccc2cc[nH]c2c1 32103455 DKOZKZZJKZAAOI-UHFFFAOYSA-N 323.352 2.171 0 40 DEAB CNc1ncnc(C(F)(F)F)c1I 217586281 GMGSSTQYYKNJFU-UHFFFAOYSA-N 303.025 2.142 0 40 DEAB CCOc1ccccc1-n1c(C)cc2c(cnc3ncnn32)c1=O 38783922 ARGQENXVHKRCPS-UHFFFAOYSA-N 321.340 2.136 0 40 DEAB COc1ccc(OC)c2sc(NC(=O)c3cnccn3)nc12 36695485 WVPJJSLEODBIFQ-UHFFFAOYSA-N 316.342 2.356 0 40 DEAB O=C(N1CCN(CC(F)(F)F)CC1)C1(c2ccccc2)CC1 71817838 FEVFRNZYBALBIN-UHFFFAOYSA-N 312.335 2.425 0 40 DEAB COC(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 78190812 QSGCKCAWMUQFKG-SNVBAGLBSA-N 324.686 2.416 0 40 DEAB C[C@H](SCC(=O)N[C@@H]1CCCCNC1=O)c1cccc(F)c1 78555777 MMORUSAJLXTKBP-SMDDNHRTSA-N 324.421 2.405 0 40 DEAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(N)=O)cc1 225698376 JOGSHTLGSPIPCX-QGZVFWFLSA-N 322.405 2.475 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 62118242 LCDYYBSYHVWXAB-SECBINFHSA-N 303.236 2.132 0 40 DEAB CC(C)(C)[C@@H](NCc1cnn(-c2ccc(F)cc2)c1)C(N)=O 195573570 FJQUNOGDWIRFFP-AWEZNQCLSA-N 304.369 2.001 0 40 DEAB CS[C@H]1CC[C@H](NC(=O)NCCc2cn3c(n2)CCCC3)C1 96437743 PMEJVWJEBYMZFZ-JSGCOSHPSA-N 322.478 2.345 0 40 DEAB Cc1cccc(N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)n1 96184436 PBPHJZXWJFLJOW-DLBZAZTESA-N 301.434 2.470 0 40 DEAB Cc1noc(C)c1CN1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108715 AOFFZGVYMCYQHP-NVXWUHKLSA-N 306.406 2.166 0 40 DEAB C[C@H](CNC(=O)N[C@H]1CCSC1)N(C)Cc1ccccc1 96440065 SMCBPMAJPKEPIC-HIFRSBDPSA-N 307.463 2.312 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)c3cccc(C)n3)CC2)CO1 96205846 SQEJIHUQQXGGCZ-AWEZNQCLSA-N 304.390 2.048 0 40 DEAB CCS(=O)(=O)[C@@](Cl)(Br)[C@@H](O)C(C)(C)C 96519921 GJYMKULQQOYSHS-POYBYMJQSA-N 307.637 2.116 0 40 DEAB CS[C@H](C)C(=O)Nc1ccc(I)cn1 96423207 FEAMSUZVILNXNW-ZCFIWIBFSA-N 322.171 2.376 0 40 DEAB Cc1cccc(NC(=O)COc2cc(-n3cccn3)nc(C)n2)c1 85471910 LJYAGXWNELCLAT-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB CO[C@@H]1CCCN(c2ccc(NS(=O)(=O)C3CC3)cc2)C1 96122516 NOCLQCWDSXVUAO-CQSZACIVSA-N 310.419 2.206 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575405872 VIHUWZKXGDOYMO-LBPRGKRZSA-N 308.353 2.160 0 40 DEAB C[C@@H]1C[C@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CS1 585141281 SQAMOOIVMIQSFQ-UHOFOFEASA-N 319.474 2.442 0 40 DEAB COC(C)(C)C(=O)N1CC[C@H](O)[C@H](Cc2ccccc2F)C1 585274389 KIVILOFXRGMFQK-HIFRSBDPSA-N 309.381 2.003 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@@H](c2cccs2)N(C)C)no1 43143797 UEOWKHFPSHSSJR-ZDUSSCGKSA-N 322.434 2.489 0 40 DEAB CC(C)N1C[C@H](C(=O)N2CCC[C@H]2c2ccncc2)CC1=O 46332652 SFCGHQMYFVKUGZ-CABCVRRESA-N 301.390 2.002 0 40 DEAB O=C(NCCNC(=O)c1scnc1Cl)c1cccs1 48918692 AMGLEQZKIALWNS-UHFFFAOYSA-N 315.807 2.018 0 40 DEAB CCNC(=O)CCS(=O)(=O)[C@@H](C)c1ccc(Cl)cc1 49477522 GRJZLBPMGZBRFC-JTQLQIEISA-N 303.811 2.342 0 40 DEAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N(CC)CC)C1 57757702 NIGMRFMCBCXEPH-OAHLLOKOSA-N 317.389 2.053 0 40 DEAB CN1CC[C@@H](CNC(=O)CCCC(=O)c2ccc(F)cc2)C1 75610258 RQPIJDLFWSILHF-ZDUSSCGKSA-N 306.381 2.247 0 40 DEAB COC[C@](C)(NC(=O)c1ccc2ccccc2c1)C(=O)OC 79093840 SNZAATGQABFOAC-KRWDZBQOSA-N 301.342 2.148 0 40 DEAB O=C(Nc1ccc(OS(=O)(=O)c2cccnc2)cc1)C1CC1 79909064 ZNFYIZYTDLFXAF-UHFFFAOYSA-N 318.354 2.198 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2c1 40493435 DLISNUNDRXGLEB-GHMZBOCLSA-N 318.373 2.435 0 40 DEAB O=S(=O)(NCCCF)c1ccc(Br)cc1F 97163803 PNETWQHJYOFGNT-UHFFFAOYSA-N 314.151 2.226 0 40 DEAB O=C(c1ccccc1Cl)N1CC2(CC(=O)N(CC3CC3)O2)C1 1549167453 OMCITCJUVOSOBJ-UHFFFAOYSA-N 320.776 2.109 0 40 DEAB CC(=O)N[C@@H]1CCOC2(CCN(Cc3ncccc3C)CC2)C1 1616183695 LSADSUYCYXNHHC-MRXNPFEDSA-N 317.433 2.040 0 40 DEAB Cc1ccc2nc(C(=O)NCc3n[nH]c4c3CCCC4)[nH]c2c1 12147354 HSSUUDKZKORTQC-UHFFFAOYSA-N 309.373 2.403 0 40 DEAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1Br 12371080 JMZBAAHMLPZYDW-WCBMZHEXSA-N 318.192 2.246 0 40 DEAB CCCN1C(=O)/C(=C\c2ccc(NC(C)=O)cc2)NC1=S 14189180 VWAPMOPELAOIGQ-UKTHLTGXSA-N 303.387 2.113 0 40 DEAB CN(C)c1nc(N2CCCCC2)ncc1NC(=O)c1ccco1 206733718 ZIMDUYUVVMFLAL-UHFFFAOYSA-N 315.377 2.378 0 40 DEAB O=C(Cc1ccccc1Cl)N1CCC(n2ccnn2)CC1 155682040 FVUICBPLJDZNHI-UHFFFAOYSA-N 304.781 2.338 0 40 DEAB O=C([C@@H]1CN(Cc2cc(F)ccc2F)CCO1)N1CCCCC1 1888844332 UOMZWPOSGYHVJA-INIZCTEOSA-N 324.371 2.178 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)[C@@H]1CC=CCC1 1888854694 ROCGZKQLXBETLC-NVXWUHKLSA-N 311.385 2.378 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](Oc2ccccn2)C1 238973655 ZQKCBFJJEKQGAL-CYBMUJFWSA-N 320.352 2.318 0 40 DEAB COc1ccc(N2C[C@H](NC(=O)NC3CCCC3)CC2=O)cc1 4479572 IOKHTBIKXMYMCD-CYBMUJFWSA-N 317.389 2.042 0 40 DEAB Cc1nnc2c(NCCCN3CCCC3=O)nc3ccccc3n12 9880149 GAXAAIYJZWSBDI-UHFFFAOYSA-N 324.388 2.010 0 40 DEAB NC(=O)Cc1csc(SCC(=O)c2ccc(F)cc2)n1 12444196 AKIFSVZEIWKIQJ-UHFFFAOYSA-N 310.375 2.285 0 40 DEAB Cc1cc(C(=O)Nc2nnc(-c3ccn(C(C)C)n3)o2)no1 38499409 IIOPWMQSTLYZGT-UHFFFAOYSA-N 302.294 2.063 0 40 DEAB Cc1cccnc1OCC1CCN([C@H]2CCCCNC2=O)CC1 585531904 HIMUXCOJXHJNDI-INIZCTEOSA-N 317.433 2.150 0 40 DEAB COc1cc(C(=O)Nc2nncs2)ccc1OC(F)F 21212906 RJQDYDAANLZHNT-UHFFFAOYSA-N 301.274 2.400 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)no1 40497895 ZXJDNHRAQSMOHG-LLVKDONJSA-N 303.318 2.067 0 40 DEAB CS(=O)(=O)NCc1ccc(NC[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101734437 KIIJSWTYSYYJNA-SOUVJXGZSA-N 306.431 2.360 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1cccs1 21523451 SJMJYLBXFYUYQD-GFCCVEGCSA-N 306.387 2.144 0 40 DEAB O=C(Nn1cnc2ccccc21)N1CCc2ccc(O)cc2C1 60602665 AVAHZGNBTPTPHF-UHFFFAOYSA-N 308.341 2.464 0 40 DEAB NC(=O)c1cnn2c1NCC=C2c1cccc(C(F)(F)F)c1 105279 KZFGNDBDCDFDSL-UHFFFAOYSA-N 308.263 2.316 0 40 DEAB CN1C(=O)C[C@@H](NC(=O)c2ccc[nH]2)[C@@H]1c1ccc(Cl)cc1 92503552 CBLNUXCMZWRYMT-HIFRSBDPSA-N 317.776 2.370 0 40 DEAB CC(C)[C@H]1CN(C(=O)NC[C@@H](C)Cn2cccn2)CCS1 76085586 GFXVKXLJKFPLPM-ZIAGYGMSSA-N 310.467 2.302 0 40 DEAB Cc1nc([C@@H]2CCCN(c3nccc(N4CCCC4)n3)C2)no1 76050257 UUGZHMFWOAMTAO-CYBMUJFWSA-N 314.393 2.152 0 40 DEAB NC(=O)CCSCc1ccc(I)cc1 76068395 DLKQIJVAWWJVSG-UHFFFAOYSA-N 321.183 2.400 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 1329878 HBYDRUIVLZFKPU-CYBMUJFWSA-N 312.373 2.340 0 40 DEAB COc1ccc(CNC2CCN(c3ncccn3)CC2)cc1F 79720865 FZRUVURMEDCMFT-UHFFFAOYSA-N 316.380 2.383 0 40 DEAB CCN1CCO[C@H](CC(=O)Nc2cccc(Cl)c2C)C1=O 2439269 VAALCCIRQZKFRN-CYBMUJFWSA-N 310.781 2.224 0 40 DEAB C[C@@H]1[C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)CCC[C@H]1C 103338523 BPBRHVSSCFFXRK-XUJVJEKNSA-N 313.401 2.407 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)nc(C(C)C)n1 69706454 GQVOLWFSACCQPQ-CYBMUJFWSA-N 318.421 2.494 0 40 DEAB Cc1ccc2c(Cn3nnc4ccccc4c3=O)cc(=O)oc2c1 3617861 UBNAVFPZPPQTSJ-UHFFFAOYSA-N 319.320 2.255 0 40 DEAB CC[C@H](C)N(C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 69702343 AYKKDTZTCYAUHE-JTQLQIEISA-N 318.381 2.242 0 40 DEAB CC[C@H](C)NC(=O)c1cc(S(=O)(=O)N(CC)CC)cs1 6680446 RCFPTGOONOWDSW-JTQLQIEISA-N 318.464 2.307 0 40 DEAB O=C(c1ccnc(-n2cncn2)c1)N1CC[C@@H]1c1ccccc1 53809373 RHZGLFLENGQWKL-OAHLLOKOSA-N 305.341 2.250 0 40 DEAB CC[C@H](C(=O)OC)n1cnc2sc3c(c2c1=O)CCCC3 914930 BMCIEKDUCQAGLE-SNVBAGLBSA-N 306.387 2.461 0 40 DEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CNC(=O)Cc1ccccc1 104724232 AFTCGZOIXWNIPF-IJEWVQPXSA-N 302.418 2.286 0 40 DEAB COc1ccc(OC)c(NC(=S)NC[C@@H]2CCCN(C)C2)c1 9876249 OUPGMVCBGXEDAT-LBPRGKRZSA-N 323.462 2.332 0 40 DEAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@H]1c1ccccn1 55523887 KNQGAVFJJHYIDU-HNNXBMFYSA-N 320.356 2.035 0 40 DEAB CCN(CC(=O)NC)C(=O)c1ccc(F)c(C(F)(F)F)c1 43567322 LFXWQIQPFYAYDH-UHFFFAOYSA-N 306.259 2.053 0 40 DEAB Cc1ccc(C(=O)N2CCC3(CC(Nc4ncccn4)C3)C2)cn1 108527268 UNNHCCCRGJKJDA-UHFFFAOYSA-N 323.400 2.287 0 40 DEAB C[C@@H](CNS(=O)(=O)c1cc(Cl)ccc1Cl)N(C)C 26857003 UWVDMFNSYQBXJC-QMMMGPOBSA-N 311.234 2.222 0 40 DEAB CC(C)OCCCNC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236443 ILVJWXSYIBTGMK-UHFFFAOYSA-N 320.364 2.223 0 40 DEAB CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 44830396 VKTPYLNMWGTWPK-NEPJUHHUSA-N 320.320 2.390 0 40 DEAB CC1=NN(c2ccc(C(=O)NC[C@@H](C)N3CCCC3)cc2)CC1 58283699 DFPYGPGGUSJKHM-OAHLLOKOSA-N 314.433 2.487 0 40 DEAB COCCOc1ccccc1C(=O)NC[C@H]1CCN(C(C)C)C1 58214696 MBPQOKGELBXDMX-OAHLLOKOSA-N 320.433 2.172 0 40 DEAB CC(C)C[C@H](NC(=O)CNC(=O)NC1CC1)c1cccs1 58268357 YMJOBYPSAUUBMU-LBPRGKRZSA-N 309.435 2.413 0 40 DEAB Cc1csc(N2CCN(C(=O)Cc3cccs3)CC2)n1 27820770 NAEUMFPXGLFOJW-UHFFFAOYSA-N 307.444 2.404 0 40 DEAB COc1ccccc1CNC(=O)COc1nncc2ccccc12 58354943 BDTGDADSQYPICE-UHFFFAOYSA-N 323.352 2.334 0 40 DEAB CONC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 58393721 IABPWJMKMOKNNU-ZZTKBFGJSA-N 308.422 2.021 0 40 DEAB COC(=O)N(C)CCCC(=O)Nc1ccc(-c2ncon2)cc1 69893351 WULGLLBMGLULTB-UHFFFAOYSA-N 318.333 2.154 0 40 DEAB O=C(O)[C@@H]1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C1 70555917 XGCLMQMCYYZKIP-MWLCHTKSSA-N 317.794 2.262 0 40 DEAB NC(=O)N[C@@H](CC(=O)N1CCCCCC1)c1ccccc1F 36392401 YNTRRNDJCCBREL-AWEZNQCLSA-N 307.369 2.328 0 40 DEAB Cc1cc([C@@H](C)NC(=O)N[C@H]2CCCCNC2=O)c(C)s1 45668111 XDIOFEXGYUYUED-MFKMUULPSA-N 309.435 2.394 0 40 DEAB Cc1ccc(N(C)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1 60352203 NAMLWYLRHZGGIJ-LLVKDONJSA-N 314.307 2.369 0 40 DEAB CCNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 13254276 HNXWUDVVIHTKKH-KGLIPLIRSA-N 316.357 2.042 0 40 DEAB CCCN(Cc1nc2ccccc2o1)[C@@H]1CCS(=O)(=O)C1 71015764 OKESABDYBMIIDQ-GFCCVEGCSA-N 308.403 2.227 0 40 DEAB CCOc1cc(Cl)ccc1CNC(=O)c1ccc(=O)n(C)c1 95434605 YRGGXMINRHMTFU-UHFFFAOYSA-N 320.776 2.367 0 40 DEAB Cc1cc(NC(=O)CSc2ncnn2-c2ccccc2)no1 4735853 NSBMCWLYMUMYJO-UHFFFAOYSA-N 315.358 2.295 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)Nc1cc(OC)ccc1OC 6762448 LHGPSLVERWLHGV-CYBMUJFWSA-N 324.377 2.413 0 40 DEAB CN(C)[C@H](CNC(=O)CCOc1ccccc1)c1ccco1 6871990 UVEWHNZPHXFYNR-OAHLLOKOSA-N 302.374 2.468 0 40 DEAB CC(C)OC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N 5863445 UESXOECUHHUHGC-UHFFFAOYSA-N 319.288 2.400 0 40 DEAB CC(C)(C)N1C[C@@H](N[C@H](Cc2ccccn2)C2CC2)CC1=O 90178368 GVMGGDUDBXZOKT-JKSUJKDBSA-N 301.434 2.392 0 40 DEAB COc1ccc2c(c1)[C@@H](N[C@H]1CC(=O)N(C3CC3)C1)CCCO2 90182364 CFLDLFKFCQLSAF-LRDDRELGSA-N 316.401 2.262 0 40 DEAB Clc1cccc(C2(c3nc([C@H]4COCCN4)no3)CC2)c1 96001449 OYYZIASKAIAYKK-GFCCVEGCSA-N 305.765 2.464 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 15856582 QVINHXWQYJHHQN-USZNOCQGSA-N 310.136 2.436 0 40 DEAB N#Cc1ccsc1NC(=O)CSc1ccccc1C(N)=O 68060886 BKCANBBBHSRUFN-UHFFFAOYSA-N 317.395 2.449 0 40 DEAB CO[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1 68202581 PZGHQQBZRRGPJZ-SJORKVTESA-N 324.380 2.296 0 40 DEAB COc1cccc(F)c1[C@@H](C)NS(=O)(=O)c1cccnc1 96428537 IJCNTBUCBPXGKI-SNVBAGLBSA-N 310.350 2.269 0 40 DEAB O=C(c1ccccc1)N1CCN(C[C@H](O)c2cccs2)CC1 26901809 IFMGFPFHZZCJDO-HNNXBMFYSA-N 316.426 2.240 0 40 DEAB C[C@@H](NCc1ccc(S(C)(=O)=O)cc1)[C@@H](C)n1cccn1 69372636 GADAYZCJNUFCAM-CHWSQXEVSA-N 307.419 2.026 0 40 DEAB CCO[C@@H](CC)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69366796 NUOSXFSUWPUNBK-YOEHRIQHSA-N 320.433 2.453 0 40 DEAB Cc1ccc(-c2nc(CN3CCO[C@@H](CN(C)C)C3)co2)cc1 69665238 SJDQRCCRUAMLPA-KRWDZBQOSA-N 315.417 2.412 0 40 DEAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCc2cc(F)ccc21 71837136 VSRVPKWSDWJROT-QGZVFWFLSA-N 303.381 2.408 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)N1CCN2CCCC[C@@H]2C1 71839900 OMJYFHWBWWVKMX-OAHLLOKOSA-N 316.401 2.045 0 40 DEAB O=C(NCCCCCO)C(=O)Nc1cc(Cl)cc(Cl)c1 170389836 RGMNNQQKBZAFTR-UHFFFAOYSA-N 319.188 2.211 0 40 DEAB Cc1cc([C@@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)c(C)o1 84081630 AJBRXTASRLLCDP-YPMHNXCESA-N 307.394 2.254 0 40 DEAB CC(=O)Nc1cc(NC(=O)N2CCCC[C@H]2CO)ccc1C 84185592 ARKXXJFYSKTVNR-AWEZNQCLSA-N 305.378 2.332 0 40 DEAB Cc1ccnc(NC[C@@H](c2cccs2)N2CCOCC2)n1 72290325 PGRAVKFSLVKLFT-ZDUSSCGKSA-N 304.419 2.332 0 40 DEAB CSCc1ccc(CNC[C@H]2CCc3nnc(C)n3C2)o1 72267364 YFCSLPCDWSVXOX-GFCCVEGCSA-N 306.435 2.395 0 40 DEAB Cc1ccn(-c2ccc(C(=O)N[C@H]3CCc4nccn4C3)cc2)n1 97197551 BWGKTRCMSKRGIB-HNNXBMFYSA-N 321.384 2.122 0 40 DEAB CNC(=O)Nc1cccc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 97115907 HZNFAVCWEAJCAK-HNNXBMFYSA-N 316.405 2.251 0 40 DEAB CCOc1ccccc1NC(=O)[C@H](C)N[C@@H](CCO)C(C)C 95941180 BPHYZSCNTMTGKZ-KBPBESRZSA-N 308.422 2.409 0 40 DEAB Cc1ncn(C[C@@H](C)NC[C@H]2COc3ccccc3O2)c1C 89547594 CXOKLDUGMJCSCT-DOMZBBRYSA-N 301.390 2.318 0 40 DEAB Cc1csc(C2(NC(=O)CCn3cncn3)CCCC2)n1 75137702 LSIRFCOBXDTAPG-UHFFFAOYSA-N 305.407 2.019 0 40 DEAB Cc1cnc(CN(C)[C@@H]2CCN(Cc3csc(C)n3)C2)o1 89702305 VRASPOQTHIHNLE-CQSZACIVSA-N 306.435 2.454 0 40 DEAB COCCOc1ccc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)cc1 89937508 OZGWTYHJPBJQNJ-KSSFIOAISA-N 320.433 2.058 0 40 DEAB CCCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408594313 OKJVDDLUNCHHKY-UHFFFAOYSA-N 324.446 2.309 0 40 DEAB COc1ccc(NC(=O)c2cc(C)on2)cc1N1CCCC1=O 38677650 OGIYZHBKXKXZDU-UHFFFAOYSA-N 315.329 2.371 0 40 DEAB O=c1c2ccncc2ncn1Cc1nc(C(F)(F)F)cs1 126446971 JFQHGYJCOQDPJG-UHFFFAOYSA-N 312.276 2.315 0 40 DEAB CN(C)c1nc2c(s1)CN(C(=O)/C=C/c1ccc[nH]1)CC2 1520517298 SERDNVUHPIVLML-AATRIKPKSA-N 302.403 2.135 0 40 DEAB O=C(CNC(=O)c1ccc(O)cc1)N[C@@H]1CC[C@H]2CCC[C@H]2C1 524741998 PGTVRCJFXZWESI-VHDGCEQUSA-N 316.401 2.207 0 40 DEAB CCN(Cc1nonc1C)C(=O)c1c(OC)cccc1OC 32648135 SHEPFVNQYZMXDX-UHFFFAOYSA-N 305.334 2.058 0 40 DEAB C[C@H]1c2ccsc2CCN1S(=O)(=O)N1CCCCC1 42676095 UFCXQGFUIIURPH-NSHDSACASA-N 300.449 2.398 0 40 DEAB Cc1nn(C)cc1[C@@H]1SCC(O)=Nc2c1c(=O)[nH]n2C(C)C 79493046 RZJQTSXUXXARNJ-LBPRGKRZSA-N 321.406 2.223 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)cc1C 70639666 DWYNMKVIILXEAV-KRWDZBQOSA-N 319.426 2.489 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@](C)(O)c2ccccc2)c(C)c1 70639670 ALYABTKSFBOTOF-KRWDZBQOSA-N 319.426 2.489 0 40 DEAB O=S(=O)(NC[C@@H](O)C1CCCCC1)c1c(F)cccc1F 70636731 IUTHSCROTRBLST-CYBMUJFWSA-N 319.373 2.184 0 40 DEAB O=C(NCC1(O)CCCCC1)[C@@H]1CCN(Cc2ccccc2)C1 557630802 JHXCYNNFDRQKRT-QGZVFWFLSA-N 316.445 2.320 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C 567238061 IDEJAKOVJKUGBC-CRWXNKLISA-N 319.401 2.491 0 40 DEAB O=C(Cc1cccs1)Nc1nc2c(s1)C(=O)NCCC2 211129169 SMMOPSZEDVUQPZ-UHFFFAOYSA-N 307.400 2.062 0 40 DEAB CCO[C@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc(OC)cc12 79051165 TVUDNXHFUANOGZ-ZBFHGGJFSA-N 302.374 2.260 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)/C=C/c1cncc(F)c1 79050609 BEWSZUQIQWXTDD-VFZNBBLXSA-N 319.380 2.140 0 40 DEAB CN1CCC(C(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1 74707406 HGXWJBUYHUGYQM-UHFFFAOYSA-N 321.852 2.330 0 40 DEAB CCCn1c(C)nnc1S(=O)(=O)CCc1ccc(OC)cc1 195202624 MWJCCUVAOZVCBL-UHFFFAOYSA-N 323.418 2.022 0 40 DEAB COc1cc(OC)cc([C@@H]2CCN(Cc3nnc(C)o3)C2)c1 83403111 MAOULTOGBWJBDI-GFCCVEGCSA-N 303.362 2.385 0 40 DEAB COc1ccnc(NCC2(N3CCSCC3)CCCC2)n1 97286633 CUJVTIHDJOTKEC-UHFFFAOYSA-N 308.451 2.259 0 40 DEAB CCS(=O)(=O)[C@H](CO)[C@@H](O)c1ccc(-c2ccccc2)cc1 96521931 HJTPAAANUVUCHT-SJORKVTESA-N 320.410 2.183 0 40 DEAB Cc1ccc([C@@H](C(=O)NC2(C(=O)O)CCCC2)N(C)C)cc1 95512520 INLGLSOPUNMGPW-AWEZNQCLSA-N 304.390 2.111 0 40 DEAB COc1cc(C(=O)N(C)CCOc2cc(C)cc(C)c2)on1 97373153 JCBRZJIPYOQBHP-UHFFFAOYSA-N 304.346 2.451 0 40 DEAB CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C)nn1)N1CCCC1=O 96411022 SXDAQGQQCUSTPU-OAHLLOKOSA-N 318.421 2.360 0 40 DEAB CC(=O)N1CCO[C@@H]2CN(Cc3cccc(Cl)c3)C[C@@H]2C1 96108062 GSQVZLGSUVKBLL-GDBMZVCRSA-N 308.809 2.019 0 40 DEAB Cc1ccc(N2CCC3(CC2)CCN([C@H]2CCOC2)CC3)nn1 96158489 OYSIANMZHIQLKA-INIZCTEOSA-N 316.449 2.256 0 40 DEAB CO[C@H]1CCN(C(=O)Cc2ccccc2F)C[C@@]12CCCO2 257315287 VARGLAVTLBQYES-RDJZCZTQSA-N 307.365 2.165 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H]2[C@H]1CCCC(=O)N2C 257223820 DZADVSWJFXNDIY-ZIAGYGMSSA-N 319.405 2.161 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3ccc(F)c(F)c3)CCO2)n1 257276126 NSLILYXSBKMWLW-CQSZACIVSA-N 321.327 2.139 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257332366 XWYZAUHXDFWESZ-CQSZACIVSA-N 315.377 2.029 0 40 DEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NCc1ccccn1 253405055 RSPCIBPCFOJTEF-NSHDSACASA-N 324.340 2.115 0 40 DEAB biogenic,in-vitro COc1ccc(Nc2ccc(S(=O)(=O)NC3CC3)cn2)cc1 24985255 MSIDJHYGICLNAE-UHFFFAOYSA-N 319.386 2.275 0 40 DEAB CCc1cc(CN2CC[C@@](O)(COc3ccccc3)C2)on1 585277169 MRRBZUYTJNIVSD-KRWDZBQOSA-N 302.374 2.253 0 40 DEAB CC(=O)N1CC(F)(F)C[C@@]2(CCN(c3ccc(C)nc3)C2=O)C1 585093061 JWUQFLILMRGHCJ-HNNXBMFYSA-N 323.343 2.001 0 40 DEAB Cc1ccc(OC[C@]2(O)CCN(CC3CCOCC3)C2)cc1 585269421 STLQLOVJJOURCO-SFHVURJKSA-N 305.418 2.237 0 40 DEAB C[C@]1(c2ccco2)NC(=O)N(Cc2nc3ccccc3o2)C1=O 69302144 KQFKGIHUNKUKOF-MRXNPFEDSA-N 311.297 2.388 0 40 DEAB Cc1cc(C)c(CNC(=O)N(C)Cc2ccsc2)c(=O)[nH]1 72305704 DNMHQAOMYSRFMT-UHFFFAOYSA-N 305.403 2.395 0 40 DEAB Cc1nc(CCNC(=O)N(C[C@@H]2CCOC2)C2CC2)cs1 45489051 YDLBETAQTWEIAG-LBPRGKRZSA-N 309.435 2.205 0 40 DEAB CCc1cnc(OC2CCN(Cc3cnoc3C)CC2)nc1 1776008479 HPCABAJRLKGJPI-UHFFFAOYSA-N 302.378 2.379 0 40 DEAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CC(=O)NCC(F)(F)F 97052588 GLHYOXTZMWPZJQ-OTYXRUKQSA-N 314.307 2.105 0 40 DEAB O=C(CCCc1ccccc1)N1CCN(Cc2cnc[nH]2)CC1 92755238 JBIGEABRBMJORY-UHFFFAOYSA-N 312.417 2.077 0 40 DEAB CCc1ccccc1OCC(=O)N[C@H]1c2ccccc2C[C@H]1O 81703228 DXPXRKHJYYLACU-APWZRJJASA-N 311.381 2.402 0 40 DEAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccoc2C)cn1 96005770 VBQGLJPNCNWKCB-UHFFFAOYSA-N 310.375 2.202 0 40 DEAB O=C1CN(c2ncnc3c2oc2ccccc23)CCN1C1CC1 96449475 BLGODYIKXWWUAA-UHFFFAOYSA-N 308.341 2.187 0 40 DEAB O=C1NC(=O)C(C[C@@H]2CCCCCCCCCCC2=O)C(=O)N1 5566834 BBNZOYBBTKTRQU-LBPRGKRZSA-N 322.405 2.459 0 40 DEAB COCCCNc1c(C)c(C)nc2cc(-c3nccn3C)nn12 12087624 OZHVALLBZWAMCL-UHFFFAOYSA-N 314.393 2.195 0 40 DEAB CCn1c(=O)n(CC(=O)N2[C@@H](C)CCC[C@@H]2C)c2cccnc21 12117533 WQYWTWDHKVQMEW-STQMWFEESA-N 316.405 2.007 0 40 DEAB O=c1n(Cc2cccnc2)nc2c3ccccc3nc(C3CC3)n12 13267511 LXHIOOGBJRESJJ-UHFFFAOYSA-N 317.352 2.365 0 40 DEAB COc1ccc(NC(=S)NCCCn2ccnc2)c(OC)c1 13679611 SGQVMDKCGLZQOU-UHFFFAOYSA-N 320.418 2.277 0 40 DEAB CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CC2)no1 15673349 ZDUPWZLQTPNXPQ-KBPBESRZSA-N 319.449 2.454 0 40 DEAB biogenic,in-vitro COc1ccccc1-c1csc(NC(=O)c2nc[nH]n2)n1 19571871 MVRXQWFASJFIBW-UHFFFAOYSA-N 301.331 2.189 0 40 DEAB CC(C)NC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 9626217 CXCZWIUTOGMKQT-UHFFFAOYSA-N 310.423 2.274 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13012561 YGQJKQUFUFKGNW-UONOGXRCSA-N 302.330 2.251 0 40 DEAB O=C(O)[C@H](CO)Nc1nc(-c2ccccc2)nc2ccccc12 13056330 TUTDJJOPMGCNMC-AWEZNQCLSA-N 309.325 2.154 0 40 DEAB biogenic O=C(NC[C@@H]1CCO[C@H]1c1ccc(F)cc1)c1cccc(O)n1 570414485 RFAAIVFBRVSTSV-LRDDRELGSA-N 316.332 2.434 0 40 DEAB FC(F)(F)c1cccc(-c2noc(CN3CCNCC3)n2)c1 20280638 KMGMZEJFRXZZCO-UHFFFAOYSA-N 312.295 2.161 0 40 DEAB in-vitro CCn1c2ccccc2c2nnc(S[C@H]3CCOC3=O)nc21 4509988 AZXUGLIASZWJPW-NSHDSACASA-N 314.370 2.407 0 40 DEAB CC(C)[C@H](Cn1cncn1)NC(=O)Cc1c(F)cccc1Cl 575617175 QGELVHPOGHIVGK-AWEZNQCLSA-N 324.787 2.454 0 40 DEAB COc1ccc(OCCNC(=O)c2c(C)nn(C)c2Cl)cc1 40485138 JFEWTIZICPCPBO-UHFFFAOYSA-N 323.780 2.199 0 40 DEAB COc1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O 100744269 WKXASDAMCFZKKX-GRUDOPTHSA-N 313.353 2.403 0 40 DEAB COCCOCC(=O)Nc1cc(NC(=O)C(C)C)ccc1C 40548743 LALLJHRVPHTDFF-UHFFFAOYSA-N 308.378 2.191 0 40 DEAB Cc1cn2nc(NC[C@H]3CCN(CC(F)(F)F)C3)sc2n1 52412880 DZUIKKBSTHKTPD-SECBINFHSA-N 319.356 2.395 0 40 DEAB CCOC(=O)CNc1nc(Cl)nc(NCc2ccccc2)n1 272233 GKHFSHLEONMARN-UHFFFAOYSA-N 321.768 2.112 0 40 DEAB C[C@H]1CC=CC[C@H]1COC(=O)CCn1nc2ccccn2c1=O 78610833 HTISNDIZRRDXLQ-KBPBESRZSA-N 315.373 2.032 0 40 DEAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1c(F)cc(F)cc1F 79001171 WDFDQTCFNIMMPT-BXUZGUMPSA-N 319.348 2.480 0 40 DEAB O=S(=O)(C[C@@H]1CCCCO1)c1nccn1-c1ccccc1 79013845 MGSXJVNPVXWACP-AWEZNQCLSA-N 306.387 2.215 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cccnc1OC 79100453 RUCQKYYDZUNYLP-NEPJUHHUSA-N 321.377 2.334 0 40 DEAB O=C(CCCc1cccs1)N1CCC(N2CCNC2=O)CC1 54318419 GJHLGHICBUVLHS-UHFFFAOYSA-N 321.446 2.087 0 40 DEAB C[C@H](NC(=O)NC[C@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 42867562 SCDDFLTTZQMABF-SMDDNHRTSA-N 317.389 2.111 0 40 DEAB CC[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)Nc1cc(C)on1 106668544 SREOEYSOSYDTQA-AGIUHOORSA-N 305.382 2.136 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nnc(C(C)C)o1 106788855 WEODCTBKKVYNPL-UONOGXRCSA-N 306.410 2.168 0 40 DEAB C[C@H](O)CN1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C 106929161 RLBLIDKWVLZHFO-GJZGRUSLSA-N 317.433 2.147 0 40 DEAB CCc1nnsc1C(=O)NC[C@H](C)N1CCc2ccccc21 43771700 RMKMRPWXBWRLCJ-NSHDSACASA-N 316.430 2.282 0 40 DEAB Cc1ccc(C)c(CN2CCN([C@H](C)C(=O)NC3CC3)CC2)c1 54372522 RHWBCTHLOYZOHM-MRXNPFEDSA-N 315.461 2.088 0 40 DEAB CCOC(=O)c1ccccc1NC(=O)C(=O)Nc1ccccc1 3274077 AMUPFENPJGHOJR-UHFFFAOYSA-N 312.325 2.441 0 40 DEAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)N3CCCC3)ccc21 57948776 FFMDVWCZVFDRAA-GFCCVEGCSA-N 301.390 2.018 0 40 DEAB O[C@H](COC[C@H]1CCCO1)CN1CC=C(c2ccccc2)CC1 12600585 ACSMDUIFFCDHPA-RBUKOAKNSA-N 317.429 2.332 0 40 DEAB CCN1C[C@H](CN(C)Cc2nnc(C)o2)Oc2ccccc21 48260932 MYMTVLWWSZMUJQ-ZDUSSCGKSA-N 302.378 2.097 0 40 DEAB O=C(NCCCOc1ccc(F)cc1)NCc1cccnc1 58216775 KLJFYSDVQGBRKF-UHFFFAOYSA-N 303.337 2.489 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2ccsc2)C1 44970234 XQRSXTQUGIYUJW-ZDUSSCGKSA-N 319.434 2.008 0 40 DEAB COc1ccc([C@H]2CCCCCN2S(=O)(=O)N(C)C)cc1 27964494 JEOULWKFHMBNOD-OAHLLOKOSA-N 312.435 2.419 0 40 DEAB Cc1cc(NC(=O)NCc2ccc(N3CCCC3)nc2)no1 45032178 IOHJUIAZRCCVMP-UHFFFAOYSA-N 301.350 2.300 0 40 DEAB COc1ccc(CCNC(=O)NCCc2ccco2)cc1OC 48302612 IMJZBIZNYYSZQG-UHFFFAOYSA-N 318.373 2.381 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 37025814 DJQKBGSGOIKPQG-JTQLQIEISA-N 316.126 2.277 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)c1ccccc1N1CCOCC1 64337237 YYDQFJWUIAWLIC-HNNXBMFYSA-N 318.417 2.022 0 40 DEAB CCCCN(CC(N)=O)C(=O)c1ccc(C(F)(F)F)nc1C 49743849 MEXYXYKYTBKUSH-UHFFFAOYSA-N 317.311 2.136 0 40 DEAB O=C(NCC1CCCCC1)N[C@H]1CCCc2c1cnn2CCO 65613275 ZKYOVFBYGTVZGE-HNNXBMFYSA-N 320.437 2.132 0 40 DEAB CCc1n[nH]c(SCC(=O)Nc2ccc(N(C)C)cc2)n1 5421948 BZEDIFHRAGQVGN-UHFFFAOYSA-N 305.407 2.164 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1C 9227771 DVJRBEDQTNGQSE-UHFFFAOYSA-N 322.361 2.295 0 40 DEAB COc1ccc(OC)c(C(=O)Cn2cnc3ccccc3c2=O)c1 7268614 OWERKMAIKOUHTQ-UHFFFAOYSA-N 324.336 2.297 0 40 DEAB Cc1sc2ncn(CC(=O)Nc3nccs3)c(=O)c2c1C 7654987 JMZINGFPYHKAAY-UHFFFAOYSA-N 320.399 2.170 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)N2C[C@@H](C)OC(C)(C)C2)n1 68548138 AVOIDCSWCWYXTN-IUODEOHRSA-N 322.453 2.345 0 40 DEAB Cn1c(SCc2ccccc2)nnc1[C@H]1CCS(=O)(=O)C1 9503775 FZIQRMLRMRQNEA-LBPRGKRZSA-N 323.443 2.010 0 40 DEAB O[C@H](CNCCn1cccn1)COc1ccc2ccccc2c1 70040859 FVJHCICJYNUAJV-QGZVFWFLSA-N 311.385 2.066 0 40 DEAB CCOc1ccccc1C(=O)N(C)Cc1nnc2ccccn12 69324745 JJRYXAFKKLLTCI-UHFFFAOYSA-N 310.357 2.400 0 40 DEAB CC[C@H]1CN(C(=O)NC[C@@H](c2ccsc2)N(C)C)CCO1 69453824 KVMNWASGXDAIFZ-KBPBESRZSA-N 311.451 2.171 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1oc2c(OC)cccc2c1C 71853831 ITOATQZDJDCPGF-SECBINFHSA-N 305.330 2.431 0 40 DEAB C[C@@H](c1cccc(O)c1)N(C)CC(=O)NC(=O)NC(C)(C)C 71892981 VVVRAPAOLAMBFQ-NSHDSACASA-N 307.394 2.009 0 40 DEAB Cc1nc(-c2cccnc2)nc(N2CCC(C(=O)O)CC2)c1C 70452713 MSCIIBMZWYZHSY-UHFFFAOYSA-N 312.373 2.456 0 40 DEAB COc1cc(-c2noc(-c3cc(C)[nH]n3)n2)cc(OC)c1OC 8602936 FPQABQYUINDOBJ-UHFFFAOYSA-N 316.317 2.461 0 40 DEAB CC(C)(C)c1cnc(CN2CCC[C@@H](Cn3cncn3)C2)o1 69870832 WKIOYHZZECTFPD-CYBMUJFWSA-N 303.410 2.476 0 40 DEAB CC(C)C[C@H](C)NC1CCN(S(=O)(=O)CC(C)C)CC1 97039051 GYTQKXIYKKUWRR-AWEZNQCLSA-N 304.500 2.461 0 40 DEAB CCCC(O)(CCC)CNC(=O)C(=O)Nc1ccc(F)cc1 72292106 XVUPXTLFMQSGNH-UHFFFAOYSA-N 310.369 2.212 0 40 DEAB CCc1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1 72295301 KJIVCJGKMLJKPB-KRWDZBQOSA-N 310.397 2.004 0 40 DEAB COC(=O)C1=NOC2(CCN(Cc3ccc(F)cc3F)CC2)C1 97163476 OEOMNSVQKCOALN-UHFFFAOYSA-N 324.327 2.249 0 40 DEAB COc1ccccc1CN[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C 84714954 YFQQPIPOHLYFTN-BBRMVZONSA-N 302.418 2.432 0 40 DEAB Cn1cc(-c2noc(-c3ccnc(OCC(F)F)c3)n2)cn1 95443068 QIRCDWJBEHJMOI-UHFFFAOYSA-N 307.260 2.176 0 40 DEAB COC(=O)[C@@H](NC(=O)c1[nH]nc(C2CC2)c1Cl)C(C)(C)C 88592030 JONRSSQPTZHKOZ-LLVKDONJSA-N 313.785 2.258 0 40 DEAB CNc1ncc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1 95978008 NUGCYMNCRFKADU-UHFFFAOYSA-N 318.402 2.274 0 40 DEAB Cc1noc(CCNC(=O)N(C2CC2)[C@H](C)c2ccco2)n1 86389641 LBTAYIOFGNHNDX-SNVBAGLBSA-N 304.350 2.449 0 40 DEAB Cc1ccc(CNC(=O)N2CCC[C@@H](c3nncn3C)C2)s1 89656576 YLRYLXOEISAXMN-GFCCVEGCSA-N 319.434 2.274 0 40 DEAB Cc1ccc2cccc(C(=O)N3CC[C@@H]([C@H](F)C(=O)O)C3)c2n1 1548600680 QWQMKVWENIMJSN-OCCSQVGLSA-N 316.332 2.428 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 409126393 FRHLVHDBLSAROL-FMIVXFBMSA-N 321.354 2.156 0 40 DEAB CN(CCC(=O)N1CCc2ccccc2C1)CC1CCOCC1 189147253 UVCRBGIXFDDBPV-UHFFFAOYSA-N 316.445 2.320 0 40 DEAB Cc1cccc(-c2cncc(C(=O)N3CCCn4nnnc43)c2)c1 554884220 WDRXETFMGSSYBF-UHFFFAOYSA-N 320.356 2.094 0 40 DEAB COc1ccc(OC)c2c1cc(C(=O)NC[C@H]1CCCO1)n2C 72401568 YGNIDOGZCCPTST-LLVKDONJSA-N 318.373 2.104 0 40 DEAB CC(=O)N1CCC[C@@H](c2cc(Nc3nncs3)nc(C)n2)C1 72360177 DFLFNAOORGTXGQ-LLVKDONJSA-N 318.406 2.106 0 40 DEAB O=C(OCc1ccccc1)N(C[C@@H]1CCCN1CCO)C1CC1 79411239 HSAXWQNGUQXTID-KRWDZBQOSA-N 318.417 2.244 0 40 DEAB CCN(Cc1ccccc1)C[C@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 79415823 QJEGCWHYPAAKGS-MSOLQXFVSA-N 317.477 2.340 0 40 DEAB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)NC(C)(C)C)C1 73034459 KSUWGJLLSBNCFC-CYBMUJFWSA-N 317.433 2.495 0 40 DEAB C[C@@H](NC(=O)NC1(c2ccccc2F)CC1)c1nncn1C 77536246 SAMKIIMEFSKKCE-SNVBAGLBSA-N 303.341 2.004 0 40 DEAB Cc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)nn1 35597936 YQGXVAHPSLVZCF-CSKARUKUSA-N 308.385 2.147 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 74965938 OJFNLOBFQIGMOS-UHFFFAOYSA-N 311.403 2.346 0 40 DEAB COc1c(Cl)cc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc1Cl 69324069 VDHGRAUZOCMGDZ-SSDOTTSWSA-N 317.172 2.419 0 40 DEAB COC(=O)CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1 78387269 MESCGYDMJUQLOF-UHFFFAOYSA-N 323.345 2.194 0 40 DEAB COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C(=O)O)s2)cc1 40266970 ALPBBNTVGPMFIG-VIFPVBQESA-N 320.370 2.330 0 40 DEAB O=S(=O)(Nc1cnc(N2CCCC2)nc1)c1cccc(F)c1 224272968 GEVRCWPRLWWHGR-UHFFFAOYSA-N 322.365 2.017 0 40 DEAB Cn1c(CS(=O)(=O)C2CCCC2)nnc1-c1ccccc1 195011499 PHUMJCJFCDUHJJ-UHFFFAOYSA-N 305.403 2.340 0 40 DEAB O=C(COc1ccccc1)Nc1cnn(C[C@H]2CCCO2)c1 43282511 DHQRDHAEVJAKEF-OAHLLOKOSA-N 301.346 2.080 0 40 DEAB CC[C@@H](C)NC(=S)Nc1cccc(N(C)S(C)(=O)=O)c1 225271552 JEIKQEMHNYHQNJ-SNVBAGLBSA-N 315.464 2.167 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44901220 QLEIBOUDPYGLPR-GFCCVEGCSA-N 310.419 2.199 0 40 DEAB O=C(NCc1nccc(N2CCCC2)n1)c1cccc(F)c1 224149642 PBKHUUTXHAWBSO-UHFFFAOYSA-N 300.337 2.146 0 40 DEAB Cc1ccc(-n2ccnc2)c(C(=O)NC[C@H](O)c2ccco2)c1 96436106 IRNWMTLWHUVBPW-HNNXBMFYSA-N 311.341 2.237 0 40 DEAB O=C(NCc1nnc(C2CC2)n1C1CC1)c1ccc(Cl)cn1 97095044 XTSFGILWKNTSSH-UHFFFAOYSA-N 317.780 2.469 0 40 DEAB COc1ccc(CN2CC[C@H]3[C@H](CO[C@H]3CN(C)C)C2)cc1 96057583 JYLHMDMDEUISAD-SZMVWBNQSA-N 304.434 2.094 0 40 DEAB CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(c3cccc(F)c3)C2)C1 96074499 DJYMNYMOVMYLBX-KRWDZBQOSA-N 319.380 2.418 0 40 DEAB COc1ccc(-n2cc(CNC(=O)[C@@H]3CC=CCC3)nn2)cc1 96461602 NGYIIOCPSKMJTH-CYBMUJFWSA-N 312.373 2.248 0 40 DEAB COc1cc(=O)n(Cc2c(C)noc2C)cc1Br 95451616 QXRLVVFKQONLGA-UHFFFAOYSA-N 313.151 2.273 0 40 DEAB c1ccc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)nc1 97953759 WDSYEINIICHFND-YQQAZPJKSA-N 300.358 2.485 0 40 DEAB CC(C)N1CCC2(CC1)OCC(=O)N(c1cccnc1)[C@H]2C 96201603 QKFKIUDHNLHYKL-AWEZNQCLSA-N 303.406 2.076 0 40 DEAB CCOC[C@H]1CC[C@H]2[C@H](CCN2C(=O)Cc2ccccc2)O1 96186642 BXWJQPUEAZIWHF-IKGGRYGDSA-N 303.402 2.414 0 40 DEAB COC(=O)[C@@]1(F)CCN(C(=O)Nc2cccc(F)c2F)C1 96445942 ZJJJFCXHRIEJSP-CYBMUJFWSA-N 302.252 2.084 0 40 DEAB CCOc1cc([C@H](N)c2n[nH]c([C@@H]3CCCO3)n2)ccc1OC 95534450 WVMNLMRAVUTSAL-JSGCOSHPSA-N 318.377 2.112 0 40 DEAB NC(=O)CN1CCC(Nc2ccnc3ccc(Cl)cc23)CC1 96406234 PCWWKFWIYIPJRB-UHFFFAOYSA-N 318.808 2.250 0 40 DEAB CS(=O)(=O)[C@H]1CCCC[C@@H]1NCCc1ccc2c(c1)CCO2 96491656 UNWWRLYPZQYZPA-RDJZCZTQSA-N 323.458 2.109 0 40 DEAB O=C(c1ccc(Br)o1)N1CCc2ncncc2C1 96122816 GSYOWNFTCGLFOH-UHFFFAOYSA-N 308.135 2.031 0 40 DEAB CCc1n[nH]c(=O)c(C(=O)N2C[C@@H]3CCCC[C@H]3C2)c1CC 96466426 RQMGBWFTLKOYLS-RYUDHWBXSA-N 303.406 2.157 0 40 DEAB Cc1nnc(S[C@H](C)c2nc3ccccc3o2)n1CC(N)=O 96496014 CAJDKUMTUHADOE-MRVPVSSYSA-N 317.374 2.066 0 40 DEAB O=C(c1cccc(-n2cnnc2)c1)N1CCC[C@@H](c2ccn[nH]2)C1 257264112 LSZYCIRIWUFMBL-CQSZACIVSA-N 322.372 2.010 0 40 DEAB O=C(c1ccsc1)N1CCN(C(=O)c2cccc(F)c2)CC1 25228374 FVUSPVBZTCNVCM-UHFFFAOYSA-N 318.373 2.485 0 40 DEAB CCc1c(C(=O)N2CCc3[nH]ncc3C2)[nH]c(C)c1C(C)=O 299312500 RROXQMDIKIKYIE-UHFFFAOYSA-N 300.362 2.010 0 40 DEAB Cc1cccc(CCC(=O)N2CC[C@H](Oc3ncccn3)C2)c1 575606521 PJCVLWOTVFKEOJ-INIZCTEOSA-N 311.385 2.398 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCCN(C(=O)c2cnco2)C1 585275033 UGFCKFOIYGPDRL-QGZVFWFLSA-N 316.357 2.029 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N2CCCCCC2)nc1 69619687 IAWSEKWXZQHMCS-UHFFFAOYSA-N 304.394 2.304 0 40 DEAB CCCN1CCCN(C)CCN(C)CCCN(CCC)CC1 68604820 RUAPIXJSFRFXPV-UHFFFAOYSA-N 312.546 2.068 0 40 DEAB Cn1cc([C@@H]2CCCN2Cc2cnn(-c3ccccc3)n2)cn1 69819727 MHLBSRHKIIYNMJ-KRWDZBQOSA-N 308.389 2.338 0 40 DEAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)N(C)[C@H](C)CS(C)(=O)=O 107150437 RTZRGRGFBMSGEF-JHJVBQTASA-N 318.483 2.276 0 40 DEAB CC(C)C(=O)NCCCn1nc(-c2cccs2)ccc1=O 11738446 BNGYJKHXCINXDD-UHFFFAOYSA-N 305.403 2.134 0 40 DEAB CC(C)NC(=O)c1cc(=O)c(OCc2ccccc2)cn1C 12165885 PGURCJVGTFYQRO-UHFFFAOYSA-N 300.358 2.103 0 40 DEAB COC(=O)/C=C/c1ccc(/C=C/C(=O)OC)c(NC(C)=O)c1 3845227 PCANYBSLNLPERI-OCIXRKKMSA-N 303.314 2.017 0 40 DEAB COC1CCN(c2ccc(C(=O)NC3=NCCS3)cc2)CC1 253400450 LGCZHEBWYCEFRM-UHFFFAOYSA-N 319.430 2.134 0 40 DEAB O=C(CNC(=O)c1ccco1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1 9691333 LSQZGIVMDBGTLO-MGPQQGTHSA-N 304.390 2.485 0 40 DEAB CN(C[C@@H]1COCCO1)c1nc2c(F)cc(F)cc2s1 1888866827 AVZRQLXLFIJKFY-SECBINFHSA-N 300.330 2.426 0 40 DEAB CCc1ccc(C(=O)N2CCc3c(COC)cncc3C2)cn1 1565547653 VQRAIXGAIGIVHI-UHFFFAOYSA-N 311.385 2.384 0 40 DEAB O=S1(=O)CC[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)C1 20015227 VNHSRACBMIAAMH-SSDOTTSWSA-N 314.716 2.353 0 40 DEAB COc1ccc(OC)c(CNC(=O)c2n[nH]c3c2CCCC3)c1 51319449 VCFPTZQQWUCRAA-UHFFFAOYSA-N 315.373 2.236 0 40 DEAB O=C(NCc1cccs1)[C@H]1CC(=O)N(c2ccccc2)C1 382597 POJZEYSDLWWKLW-LBPRGKRZSA-N 300.383 2.417 0 40 DEAB Cc1cc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)no1 3013596 QQTVDRROROEOQF-NSHDSACASA-N 303.343 2.425 0 40 DEAB C[C@@H]1CN(C(=O)CSc2ncnc3ccccc23)C[C@@H](C)O1 3294522 YERBXCRVOYHNCK-VXGBXAGGSA-N 317.414 2.358 0 40 DEAB CC(C)(C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3467600 IJGAWZFOYHTOFO-UHFFFAOYSA-N 310.703 2.435 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)OC 6224715 MBCOXNBVPVMNRB-SWLSCSKDSA-N 322.405 2.125 0 40 DEAB biogenic C[C@H](OC(=O)c1ccc2c(c1)OCO2)C(=O)NC1CCCCC1 6609888 KKWAPKMEZMAWDR-NSHDSACASA-N 319.357 2.410 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7310608 NTRIZAIKLLSMOJ-BLLLJJGKSA-N 320.414 2.478 0 40 DEAB Cc1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)c(C)n1C 8051941 GNHBVFGXQKIIBW-UHFFFAOYSA-N 302.330 2.358 0 40 DEAB COC(=O)CN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 8092034 OWICUWOFEHTCQL-LRELXJSQSA-N 303.339 2.452 0 40 DEAB Cc1cccc(OCCNC(=O)CSc2ncccn2)c1 8499858 RWYSIARVZXCQAZ-UHFFFAOYSA-N 303.387 2.072 0 40 DEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccccc2)cc1 8937076 IPLGVEFQEWEJRD-MRXNPFEDSA-N 315.394 2.271 0 40 DEAB Cc1ccc(C)c(-n2nnnc2SCC(=O)NCC(C)C)c1 9575885 BKBOJWDQWCXFNF-UHFFFAOYSA-N 319.434 2.143 0 40 DEAB NC(=O)c1ccccc1NCC(=O)NCc1ccc(Cl)cc1 10771218 ZTLBBYYGEDOUPG-UHFFFAOYSA-N 317.776 2.167 0 40 DEAB CCOC(=O)CSc1nc(=O)c2c(C)cc(C)nc2n1CC 12395032 YFKTUCIZZBVEBB-UHFFFAOYSA-N 321.402 2.083 0 40 DEAB C[C@@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccccc1 12457049 AHKXOFAOOHTXPR-CQSZACIVSA-N 311.385 2.363 0 40 DEAB O=C(Cn1cnc2ccsc2c1=O)Nc1ccc(F)cc1F 12900713 RGFSERPSMRYFJK-UHFFFAOYSA-N 321.308 2.375 0 40 DEAB CCn1nnc2c(=O)n(Cc3cccc(C(F)(F)F)c3)cnc21 13531615 QXPWNJAOFVNRQV-UHFFFAOYSA-N 323.278 2.075 0 40 DEAB COc1cccc(NC(=O)NCc2nc(-c3cccnc3)n[nH]2)c1 13565297 UWNGDJRKRFAYNB-UHFFFAOYSA-N 324.344 2.197 0 40 DEAB CN(Cc1cc2cccc3c2n(c1=O)CC3)C(=S)NC1CC1 13728070 YZDYEFCVCGDFIK-UHFFFAOYSA-N 313.426 2.026 0 40 DEAB COCCNC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1 19593575 CCTPSYWSQVCEJI-UHFFFAOYSA-N 310.357 2.039 0 40 DEAB CC(C)c1ccc(S(=O)(=O)N2CCC[C@H]2CC(=O)O)cc1 19685981 POSFWBAHDMHFHV-ZDUSSCGKSA-N 311.403 2.438 0 40 DEAB CC1CCN([C@H](CN[C@@H](C)CC(N)=O)c2cccs2)CC1 22357379 QPLSPTNASRNDRE-UONOGXRCSA-N 309.479 2.375 0 40 DEAB O=C(NCCc1ccc(Br)s1)c1cnccn1 22521603 SZAIXKKDILDRDN-UHFFFAOYSA-N 312.192 2.273 0 40 DEAB CCN1CCC[C@@H]1CNC[C@H](O)COc1c(C)ccc(C)c1C 22790010 XBKYGHLSVYDCGL-MSOLQXFVSA-N 320.477 2.425 0 40 DEAB CCn1nnnc1SCCC(=O)Nc1ccc2c(c1)CCC2 25061603 RRZIALNZKDIPGA-UHFFFAOYSA-N 317.418 2.303 0 40 DEAB CS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1 26859895 MILSCOZTKKFZDS-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB C[C@H](NC(=O)NCc1ccc(N2CCCC2)nc1)[C@@H]1CCCO1 31122743 GDMPDOTZLVNUMM-ZFWWWQNUSA-N 318.421 2.049 0 40 DEAB C[C@@H](NS(=O)(=O)c1cccc2nonc12)c1cccs1 32578722 JRWBBHJADSIXGB-MRVPVSSYSA-N 309.372 2.324 0 40 DEAB O=C(Nc1nncs1)c1c[nH]c2c(Cl)cccc2c1=O 32605887 HJBHRRHJHOEJPX-UHFFFAOYSA-N 306.734 2.285 0 40 DEAB COc1cccc(CN(C)c2cc(Cl)nc(N)n2)c1OC 32778783 OAJRLQXNPHYXOH-UHFFFAOYSA-N 308.769 2.366 0 40 DEAB Cc1nnc(NC(=O)[C@@]2(C)Oc3ccccc3N=C2O)s1 36357818 OGHAYDUCBUEGGU-ZDUSSCGKSA-N 304.331 2.224 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccnc(N(C)C)c1 40512767 APTDKPXFYLFELM-UHFFFAOYSA-N 323.393 2.074 0 40 DEAB C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 42867556 SCDDFLTTZQMABF-FZMZJTMJSA-N 317.389 2.111 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)NCCn2ccnc2)cc1 43311976 IHKAUTYGDCTCKT-MRXNPFEDSA-N 314.389 2.438 0 40 DEAB O=C1O[C@H](C(=O)NCCc2cccs2)Cc2ccccc21 44867908 FNKZJSFIAWSVSI-AWEZNQCLSA-N 301.367 2.189 0 40 DEAB Cc1c(C(=O)N2CCOC[C@@H]2C)cnn1-c1ccccc1F 44912305 SPCZQLGXLPGLMC-NSHDSACASA-N 303.337 2.181 0 40 DEAB COc1ccc(S(=O)(=O)Cc2noc(CC(C)C)n2)cc1 44947795 JCTOKMVXOIYZOY-UHFFFAOYSA-N 310.375 2.251 0 40 DEAB Cn1ncc2c(NCc3ccc(-n4cccn4)cc3)ncnc21 45802163 CJLCXOJNPCPXIF-UHFFFAOYSA-N 305.345 2.161 0 40 DEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCO[C@@H](C)C1 47987725 DEFNPFFYSCQAOA-LBPRGKRZSA-N 317.389 2.140 0 40 DEAB Cc1cccc(Cn2nc(C)cc2NC(=O)c2ccc(=O)[nH]c2)c1 55053706 SSEQIGQDNJFCRE-UHFFFAOYSA-N 322.368 2.489 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2ccccc2N2CCC(C)CC2)C1 57328199 FLQHIZRBKXOSLY-AWEZNQCLSA-N 316.401 2.449 0 40 DEAB CCOCCO[C@H](C)C(=O)Nc1cccc(-n2ccnc2)c1 57496327 CAASYCOIOCYPIM-CYBMUJFWSA-N 303.362 2.252 0 40 DEAB Cc1ccc(S(=O)(=O)Cc2nc(O)c3cccnc3n2)cc1 57509461 ZECBSUVZYSUIDX-UHFFFAOYSA-N 315.354 2.013 0 40 DEAB Cc1nccn1-c1ccc(NC(=O)c2ccc(N(C)C)nc2)cn1 58244700 POCKKUDIOMOWGH-UHFFFAOYSA-N 322.372 2.289 0 40 DEAB C[C@H]1CCCN(C(=O)COc2cc(Cl)ccc2C(N)=O)C1 58293145 CDUIVBJFJIFPER-JTQLQIEISA-N 310.781 2.076 0 40 DEAB Cc1csc(CCNC(=O)CNC(=O)CC2CCCCC2)n1 58295216 LUMQFOIKDOINGG-UHFFFAOYSA-N 323.462 2.197 0 40 DEAB O=C(NC[C@@H](O)c1ccccc1F)Nc1ccc2c(c1)OCO2 58755545 UHLKBEHDMMVLLS-CYBMUJFWSA-N 318.304 2.410 0 40 DEAB O=C(Cn1cccn1)NCCc1ccccc1Br 61263826 RWOYMCBLPWJGOR-UHFFFAOYSA-N 308.179 2.005 0 40 DEAB CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCCNCC1 64875852 LELHHPQPNFFNOO-UHFFFAOYSA-N 303.450 2.109 0 40 DEAB CC(C)(C)c1cc(C(=O)NCCn2cnc3ccccc32)[nH]n1 65434550 NFAXJQHZBVTXGY-UHFFFAOYSA-N 311.389 2.487 0 40 DEAB COCCCCNC(=O)CNc1cc(Cl)ccc1OC 65516375 AHFBYFGEQZOCCV-UHFFFAOYSA-N 300.786 2.303 0 40 DEAB Cc1cc(N2Cc3cnn(CCO)c3C2)nc(-c2ccccc2)n1 67654341 SOQDGGHPVZHRTD-UHFFFAOYSA-N 321.384 2.161 0 40 DEAB O=C(C[C@H]1C=CCC1)NS(=O)(=O)c1cccc2cnccc12 69594427 ALVCFUHPCQFMPD-LBPRGKRZSA-N 316.382 2.396 0 40 DEAB COCc1ccccc1C(=O)N1CCn2c(nnc2C(C)C)C1 69808107 LFLJPSGIBVDQSN-UHFFFAOYSA-N 314.389 2.204 0 40 DEAB CN1CCN(c2ccccc2CNC(=O)[C@@H]2CC=CCC2)CC1 69879237 FCWHRQJFIOYQKG-MRXNPFEDSA-N 313.445 2.411 0 40 DEAB CSc1ccc(C)c(C(=O)Nc2c(C(N)=O)n[nH]c2C)c1 69896032 HMMMRUONDVCDDB-UHFFFAOYSA-N 304.375 2.100 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2Cc2nc(-c3cccnc3)no2)c1 70040082 DEAASMSGCNWBFW-HNNXBMFYSA-N 324.388 2.301 0 40 DEAB NC(=O)[C@@H](CNC(=O)C1CCCCC1)Cc1ccc(F)cc1 71826754 DKUCTSCGKWMPBU-CQSZACIVSA-N 306.381 2.166 0 40 DEAB O=C(N[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1ccsc1 71847709 BJASAEPJTMOPPY-CQSZACIVSA-N 300.383 2.279 0 40 DEAB Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)cc1C 72053844 LNASVXJSGUUHET-HNNXBMFYSA-N 318.442 2.441 0 40 DEAB CCN1C[C@@H](C(=O)N2CCCC[C@@H]2c2nc(C)cs2)CC1=O 72232435 BXCQTMAFROTZBI-QWHCGFSZSA-N 321.446 2.374 0 40 DEAB Cc1cc(C)cc(CCNC(=O)c2cc(C(N)=O)cs2)c1 72293680 RFCXDELCWZZATJ-UHFFFAOYSA-N 302.399 2.436 0 40 DEAB CSC[C@@H](C)NC(=O)NC[C@H](O)c1c(F)cccc1F 72294056 RAVQEBROFGPMFH-KCJUWKMLSA-N 304.362 2.049 0 40 DEAB CCOC(=O)CN1CCC[C@@H](OC(=O)C[C@@H](C)n2cccc2)C1 72310679 RAWANYGOBYIVPZ-HUUCEWRRSA-N 322.405 2.010 0 40 DEAB CS(=O)(=O)c1ccc(-c2cnc([C@@H]3CCCNC3)cn2)cc1 72365392 JOTMUZOMCGUDFX-CYBMUJFWSA-N 317.414 2.014 0 40 DEAB Cn1ncc(N[C@@H]2CCO[C@@H]2c2ccccc2)c(Cl)c1=O 75092172 ASSMXGVPYNXPQS-BXUZGUMPSA-N 305.765 2.376 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCNC1=O 75126707 SGELALAOEAYFEF-SNVBAGLBSA-N 301.268 2.106 0 40 DEAB CCSc1nnc(NS(=O)(=O)c2ccccc2)s1 75284492 CYEWKIWTNUFYPJ-UHFFFAOYSA-N 301.418 2.451 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)c2c(C)nn(C)c2C)no1 76043010 JAHJAJAJKSGPRJ-TVQRCGJNSA-N 317.393 2.196 0 40 DEAB CCc1cc(=O)[nH]c(-c2ccc(N[C@H](CO)CC(C)C)nc2)n1 83820248 ODZJKDPPWJYXKT-AWEZNQCLSA-N 316.405 2.213 0 40 DEAB O=C(CC(F)(F)F)NCc1nc(-c2ccc(F)cc2)n[nH]1 84421585 BODYYFBOHDNVPJ-UHFFFAOYSA-N 302.231 2.179 0 40 DEAB CCC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nnn[nH]1 89949618 LLOREZDGPADJPP-SNVBAGLBSA-N 315.711 2.403 0 40 DEAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc2cc(C)c(C)cc2o1 93103230 PWRCFNAAVSAMCF-HIFRSBDPSA-N 303.358 2.158 0 40 DEAB CS[C@H](C)CCNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 95400505 DWWXIWLBJVURGT-GDBMZVCRSA-N 322.474 2.145 0 40 DEAB O=S(=O)(C[C@H]1CCCNC1)c1ccc(Br)cc1 95908556 RVCKXTKNTKLBBA-JTQLQIEISA-N 318.236 2.222 0 40 DEAB Cc1ccccc1CC(=O)NS(=O)(=O)CCCC(F)(F)F 95980717 JBXZIJMIAZJPQR-UHFFFAOYSA-N 323.336 2.326 0 40 DEAB CC1([C@H]2CCCN(C(=O)COc3ccccc3)C2)OCCO1 96010282 BFCJZQXFNICLON-AWEZNQCLSA-N 305.374 2.067 0 40 DEAB Cc1cnc([C@H](C)CNC(=O)NC[C@H]2CCN(C3CC3)C2)s1 96013823 ZQFKXXIMLSPDMH-DGCLKSJQSA-N 322.478 2.339 0 40 DEAB CN(C)C[C@@H]1CN(Cc2ccc(F)cc2)Cc2nccn2C1 96059178 VOTKMOHPQUYEMY-OAHLLOKOSA-N 302.397 2.216 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCC(=O)NC1 96454261 UWIZVPCLEKCMHB-LLVKDONJSA-N 310.781 2.137 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NCCCF)c2ccccc12 96496111 KORHSJYCYJEOET-UHFFFAOYSA-N 324.377 2.436 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](N[C@@H]2CCCn3ncnc32)C1 96499614 QHPXBZTTZCDKRB-QWHCGFSZSA-N 321.425 2.102 0 40 DEAB Cc1c(C(=O)N(CC(=O)O)CC2CC2)cnn1-c1ccccc1 97017893 KAMHXCHLCIHKLZ-UHFFFAOYSA-N 313.357 2.118 0 40 DEAB COc1ccccc1N1CC[C@@H](N[C@@H]2CCCSC2)C1=O 97084623 PPXDAVIWBRFNIX-CHWSQXEVSA-N 306.431 2.286 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)N1CC[C@@H]([C@@H](C)O)C1 97107892 QHUPKZPTPFDKCB-RRFJBIMHSA-N 306.406 2.175 0 40 DEAB COC[C@H](NCc1cc(=O)n2cccc(C)c2n1)c1ccco1 97110636 FGLBTHKGMWLLMP-AWEZNQCLSA-N 313.357 2.073 0 40 DEAB CN(C)C(=O)c1cc(NC(=O)NC2Cc3ccccc3C2)ccn1 97140918 UHNPNJWYJUTHSJ-UHFFFAOYSA-N 324.384 2.072 0 40 DEAB C[C@@H](C(=O)N1CCc2c1cccc2C(F)(F)F)n1cncn1 97376340 XXYMBOCPXDKTCT-VIFPVBQESA-N 310.279 2.447 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100046127 ISDSLAVHEPKUHD-UKRFAEJPSA-N 323.348 2.031 0 40 DEAB Cc1nc2cc([C@@H]3CCCN(C(=O)C(C)C)C3)nn2c(O)c1C 100137606 KJAQZZWTHRZUSL-CYBMUJFWSA-N 316.405 2.414 0 40 DEAB O=C(N[C@@H]1CCc2ccc(F)cc21)N1CC[C@@H](N2CC=CC2)C1 101387750 RXAIGYVYBQSQOM-NVXWUHKLSA-N 315.392 2.469 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 108322414 WUZUCOWLDUAZKC-SLEUVZQESA-N 314.385 2.366 0 40 DEAB C[C@H]1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@@H]1n1ccnc1 192396130 MLTCBXBUXXNIIV-KBPBESRZSA-N 321.421 2.415 0 40 DEAB C[C@@H]1CCN(C(=O)CCC(=O)OC(C)(C)C)C[C@H]1n1ccnc1 192396131 MLTCBXBUXXNIIV-ZIAGYGMSSA-N 321.421 2.415 0 40 DEAB O=C(O)c1ccc(NC2CCCC2)c(S(=O)(=O)NC2CC2)c1 217440325 SMPFXNZEMBUDPJ-UHFFFAOYSA-N 324.402 2.180 0 40 DEAB Cc1cccc(NC(=O)Nc2cnc(N3CCOCC3)nc2)c1 224263877 DNMIHCSHXPUJQW-UHFFFAOYSA-N 313.361 2.266 0 40 DEAB CN(CCOc1ccccc1F)C(=O)[C@H](N)c1ccccc1 225510501 YLZHBWNDTCQTBB-MRXNPFEDSA-N 302.349 2.363 0 40 DEAB CS(=O)(=O)c1ccc(CN2CCC[C@@H]2c2ccncn2)cc1 257257961 KRTYXEWXCVKPHL-MRXNPFEDSA-N 317.414 2.217 0 40 DEAB c1cc([C@@H]2CCCN(Cc3ccnc(N4CCCC4)n3)C2)ncn1 257296679 RDWRGVAFOQQTIS-OAHLLOKOSA-N 324.432 2.246 0 40 DEAB CC(C)(C)C1CCC(NC(=O)C(=O)NC[C@@H]2CCCO2)CC1 408707273 LZKRXIQWLYQTOZ-RUXDESIVSA-N 310.438 2.003 0 40 DEAB O=C(c1cnc[nH]1)N1CCC2(CC1)OCCc1ccsc12 540915989 DYOUPDVWYAFFSI-UHFFFAOYSA-N 303.387 2.175 0 40 DEAB O=C1CC[C@H](Cn2ccnc2C(=O)c2cccs2)CCN1 562823548 CSHFQSRUZOGHMX-NSHDSACASA-N 303.387 2.092 0 40 DEAB Cc1noc([C@@H]2CCCN([C@H](C(=O)O)c3ccsc3)C2)n1 563277505 NAUUKWYYTXHEGB-PWSUYJOCSA-N 307.375 2.445 0 40 DEAB O=C(c1cnccn1)N1CCC(c2ccc3cccnc3n2)CC1 655265563 ZTZBRCOBIHGMIE-UHFFFAOYSA-N 319.368 2.440 0 40 DEAB COC(=O)c1cc(CN(C)C(=O)c2ccc(F)cc2N)oc1C 1539554676 GOJOMWDPLWTOTL-UHFFFAOYSA-N 320.320 2.368 0 40 DEAB Cn1cnc(S(=O)(=O)NCc2cc(-c3ccoc3)cs2)c1 1775969811 LYCAYEYHHDCQHW-UHFFFAOYSA-N 323.399 2.220 0 40 DEAB c1nc(N[C@@H]2CCN(C3CCOCC3)C2)c2ccsc2n1 1889077174 SGDBYKMIYZTIJL-LLVKDONJSA-N 304.419 2.357 0 40 DEAB CCc1ccc(NC(=O)c2cc(C)c3c(=O)[nH]c(O)nc3n2)cc1 72292855 OIAZXDDBXSKOSW-UHFFFAOYSA-N 324.340 2.147 0 40 DEAB CC(C)(C)OC(=O)NCCCC[C@H](N)NC(=O)c1ccccc1 1643531 DHAIQBUXEURGMK-CQSZACIVSA-N 321.421 2.396 0 40 DEAB CN(C[C@H]1CCCN1Cc1nccn1C)C(=O)OC(C)(C)C 78947834 CTRQYUYWXOAZQM-CYBMUJFWSA-N 308.426 2.251 0 40 DEAB COc1ccc(CNS(=O)(=O)C[C@@H](C)c2ccccc2)cn1 79095629 RAJPQDXXTULQOV-CYBMUJFWSA-N 320.414 2.313 0 40 DEAB Cc1nc(NC(=O)CCc2ccc(Br)cc2)n[nH]1 79013197 SCTDXKGJHRXHHD-UHFFFAOYSA-N 309.167 2.447 0 40 DEAB CCOC(=O)C(=O)Nc1nnc(-c2ccccc2Cl)s1 4879923 LYEZYNTUHMXVOP-UHFFFAOYSA-N 311.750 2.360 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cnc(C)nc1 100752829 UXQAUVJYMNPAEJ-HOCLYGCPSA-N 320.400 2.398 0 40 DEAB O=C(C[C@@H]1CCCO1)Nc1cccc(CN2CCC(O)CC2)c1 84374401 DGNWVCQMBBQOKS-KRWDZBQOSA-N 318.417 2.151 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)CC1=O 55999851 UDFNGBUOLMZDKH-ZBFHGGJFSA-N 318.392 2.228 0 40 DEAB C[C@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)[C@H]1CCCO1 56767120 PPGBNHVXBOMANY-SMDDNHRTSA-N 319.361 2.332 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 1887468 PGFAMSCKRYGMAY-INIZCTEOSA-N 324.336 2.365 0 40 DEAB C[C@H](NC(=O)NCc1ccc(CN2CCOCC2)cc1)C1CC1 48113487 AFEFUKPIQVKPEW-AWEZNQCLSA-N 317.433 2.117 0 40 DEAB COc1ccc([C@H](C)NC(=O)N[C@H](C)Cn2ccnc2)cc1F 48176741 GPMJNEJSPBBPDZ-NEPJUHHUSA-N 320.368 2.480 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 101988792 VNWXHMFOBBEDBR-ICGCDAGXSA-N 311.451 2.140 0 40 DEAB 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DEAB COc1cc(/C=C/C(=O)N(C)Cc2nccn2C)ccc1F 89761412 AZOCRWWFTMXDEQ-FNORWQNLSA-N 303.337 2.240 0 40 DEAB COc1cccc(CNC(=O)C(=O)NCCC2CCCCC2)c1 408708450 ZYZVNOXKPKSEPT-UHFFFAOYSA-N 318.417 2.398 0 40 DEAB Cc1[nH]nc2ncc(C(=O)N3CCCC[C@H]3c3cnn(C)c3)cc12 548343650 WDPJXYOBJZYQQK-HNNXBMFYSA-N 324.388 2.367 0 40 DEAB O=C(N[C@H]1CC=CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 78122183 ASDMXUBBPBYQPQ-IRXDYDNUSA-N 300.402 2.112 0 40 DEAB CN(c1ncc(F)cn1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 72203212 NUBDCUQSKQJJKK-LBPRGKRZSA-N 310.373 2.451 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2cccc3cccnc23)cn1C 524734531 OVBKULJIKXVSSV-UHFFFAOYSA-N 323.352 2.259 0 40 DEAB CC(C)Nc1ccc(CC2CCN(S(C)(=O)=O)CC2)cn1 72364961 MCBVTKOAUJQXLS-UHFFFAOYSA-N 311.451 2.116 0 40 DEAB O=C(c1cnccn1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 72378760 LZNYYZZYQHFRGT-OAHLLOKOSA-N 320.356 2.035 0 40 DEAB O=C(NC1CCCCC1)NC1CCN(C[C@H]2CCCO2)CC1 76491459 FMWJJBAIEMQUTJ-MRXNPFEDSA-N 309.454 2.262 0 40 DEAB C[C@@H](SCC(=O)N[C@H]1CCCCNC1=O)c1cccc(F)c1 78555784 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C=Cn1cc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)cn1 225582648 GIRVQKPGUNUINX-GFCCVEGCSA-N 320.418 2.206 0 40 DEAB Cc1onc(-c2ccccc2)c1C(=O)NC[C@]1(O)CCSC1 82967750 QOPWVKQTYOAVDM-MRXNPFEDSA-N 318.398 2.248 0 40 DEAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nccn(C)c1=O 194522254 XJEAAMPATFOQRV-GFCCVEGCSA-N 323.352 2.340 0 40 DEAB CCC[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H]1C(=O)O 91656870 WFHRUQOZSOMMIG-TZMCWYRMSA-N 308.353 2.468 0 40 DEAB O=C(Cn1ccc2ccccc21)NCC1(O)CCSCC1 96441012 WNWLUANUNYQZRP-UHFFFAOYSA-N 304.415 2.016 0 40 DEAB FC(F)CN1CCC(NC[C@@H]2COc3ccccc3O2)CC1 96476349 RPTOKSDVLUPTDF-CYBMUJFWSA-N 312.360 2.146 0 40 DEAB O=C(CC1CC1)N1CC[C@@H](Oc2ccccn2)[C@H]2OCC[C@@H]21 96218908 HMNCPBSOKFNKSE-VBQJREDUSA-N 302.374 2.019 0 40 DEAB CCOC(CNCc1ccc(OC)c(OC)c1OC)OCC 96530039 IMCTWLCNLLDZKQ-UHFFFAOYSA-N 313.394 2.201 0 40 DEAB CO[C@@]1(C)C[C@H](NC(=O)c2cc3ccccc3c(=O)[nH]2)C1(C)C 96443875 QBQKVYBCFOMFDS-KSSFIOAISA-N 314.385 2.462 0 40 DEAB COCCN1CCN(Cc2nccs2)Cc2ccc(C)nc21 96199024 STKWNLZWFYZYNG-UHFFFAOYSA-N 318.446 2.315 0 40 DEAB O=C(c1n[nH]c2c1CN(Cc1ccsc1)C2)N1CCCC1 96187513 HXLVUZXHRSWMLA-UHFFFAOYSA-N 302.403 2.223 0 40 DEAB O=C(O)[C@H](Cc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 95477703 FNEBDBOHNCPWTR-VIFPVBQESA-N 317.736 2.114 0 40 DEAB Cc1nc(C2(NC(=O)c3cc(C4CC4)on3)CCCC2)no1 96402287 AKIXWUIHMYKBID-UHFFFAOYSA-N 302.334 2.443 0 40 DEAB CC(C)[C@H](NC(=O)CSCC(N)=O)c1ccccc1Cl 96406937 IEEQWFSIYWQAHA-AWEZNQCLSA-N 314.838 2.372 0 40 DEAB C[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H]2CCOC2=O)CC1 96441557 XEOZATGLLCPSBE-SWLSCSKDSA-N 308.809 2.334 0 40 DEAB CC(C)COC[C@@H](C)NC(=O)NC[C@](C)(O)c1cccs1 96417706 AMMOZZHQEMNCMD-DOMZBBRYSA-N 314.451 2.316 0 40 DEAB COCCN1CCOC[C@]2(CCCN(Cc3ccc(C)o3)C2)C1 96049466 OIODWXLRGXLYRZ-GOSISDBHSA-N 322.449 2.149 0 40 DEAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2CCOCc1ccccc1 97953699 BUDDBQORSFPDPV-RCCFBDPRSA-N 305.418 2.472 0 40 DEAB C[C@]12C[C@@H](c3ccccc3F)N(CCO)[C@H]1CCCCC(=O)N2 257254550 KDPFHQZPRGPYRR-BQFCYCMXSA-N 320.408 2.382 0 40 DEAB Cc1nc2sccn2c1CN1CCO[C@H](c2cnccn2)C1 257306255 STLWXFUQWJQICJ-AWEZNQCLSA-N 315.402 2.068 0 40 DEAB Cc1cnc([C@H]2CCCN(C(=O)CCn3ccnc3)C2)s1 257316687 VGOKGWCBJMDYOE-ZDUSSCGKSA-N 304.419 2.444 0 40 DEAB CN(CCCOc1ccccc1)C(=O)CNC(=O)C(C)(C)C 31365372 QKBTWHJBPXKOKO-UHFFFAOYSA-N 306.406 2.076 0 40 DEAB COc1ccc(OC)c([C@H](O)CN(C)Cc2cc(C)on2)c1 48263482 FISPVGJGDQTORW-OAHLLOKOSA-N 306.362 2.166 0 40 DEAB Cn1cc(CC(=O)N2CCC[C@H](C(=O)O)C2)c2ccccc21 49751964 QOWNKHXYMRTLNM-LBPRGKRZSA-N 300.358 2.044 0 40 DEAB COc1cc(OC)cc([C@H]2CCN(Cc3nc(C)no3)C2)c1 83402835 QRYQLHHAIVOEHF-LBPRGKRZSA-N 303.362 2.385 0 40 DEAB CSCC[C@](C)(O)CNC(=O)c1ccc(Br)o1 75157494 MVAOEDLLOCDTEA-NSHDSACASA-N 322.224 2.276 0 40 DEAB CCn1cc(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cn1 75613091 QKSRDCPAVZUJIV-CYBMUJFWSA-N 324.425 2.182 0 40 DEAB COC(=O)c1cccc(C(=O)Nc2cc(CC(C)(C)C)n[nH]2)n1 76022880 GOGRNNRUEDHXSK-UHFFFAOYSA-N 316.361 2.432 0 40 DEAB CN1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 58162004 YJZRNAXGYZCQHF-UHFFFAOYSA-N 316.174 2.368 0 40 DEAB C[C@H](CNC(=O)c1cccc2cn[nH]c12)CC1(C)OCCO1 96418650 SWSNOXMTJFDTPK-NSHDSACASA-N 303.362 2.082 0 40 DEAB COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cn1 11916864 VBWCFDXARCXLTC-UHFFFAOYSA-N 311.341 2.469 0 40 DEAB Cc1cnc(-c2nnc(CNC(=O)c3ccc(C)s3)o2)cn1 19217129 GOHCMBRVRKFPCS-UHFFFAOYSA-N 315.358 2.135 0 40 DEAB CCO[C@@]1(C)C[C@H]1NC(=O)NCC[C@@H]1COc2ccccc2O1 527819092 DYAKNVZYVTXFEY-VMGRFDJRSA-N 320.389 2.083 0 40 DEAB C[C@H]1CN(C(=O)CSc2nnc(-c3ccco3)o2)C[C@@H](C)O1 4836057 DNSOXNFWNUIHIX-AOOOYVTPSA-N 323.374 2.058 0 40 DEAB CC(C)Cc1ccc([C@@H](C)C(=O)OCC(=O)OCC(=O)O)cc1 2061000313 ZXGBVUBYFBKPMR-GFCCVEGCSA-N 322.357 2.160 0 40 DEAB O=C(NCc1ccco1)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1 4374110 UWRAOEAOXWSMLV-LBPRGKRZSA-N 317.320 2.023 0 40 DEAB COc1ccc(-c2csc(NC(=O)/C=C\C(=O)O)n2)cc1 100812099 NAIAOWDQMQXRQN-SREVYHEPSA-N 304.327 2.398 0 40 DEAB O=C(NC[C@H]1CCCN1c1nc2ccccc2o1)c1ccno1 206770663 SPPPNXRCKPYRLC-LLVKDONJSA-N 312.329 2.215 0 40 DEAB O=C(CSc1ncccn1)NCc1cc(-c2ccco2)on1 36662465 IWKLBAQPKISOMK-UHFFFAOYSA-N 316.342 2.133 0 40 DEAB Cc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1 20171662 ARNJTOPPSMKCTN-UHFFFAOYSA-N 311.389 2.164 0 40 DEAB COC(=O)c1cccnc1N1CCN(c2ccc(F)cc2)CC1 20389132 OAQIIXBUMGTSAT-UHFFFAOYSA-N 315.348 2.334 0 40 DEAB CCOC(=O)N[C@H](CNC(=O)COc1ccccc1)CC(C)C 31705629 VIVGRAUXZHAAIQ-AWEZNQCLSA-N 322.405 2.342 0 40 DEAB CC1(C)C[C@H](NCCNCc2ccc3c(c2)OCO3)CCO1 32123839 PIAIRWUOQZBEBC-CQSZACIVSA-N 306.406 2.052 0 40 DEAB biogenic O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ncccc1O 32815037 SQPVIQJRZRHPKG-UHFFFAOYSA-N 311.341 2.095 0 40 DEAB COc1cc(Cl)ccc1C(=O)NCCCc1cnn(C)c1 102620910 FURFCODOQOXRRB-UHFFFAOYSA-N 307.781 2.445 0 40 DEAB CCn1nnc2cc(C(=O)NCCc3ccc(OC)cc3)ccc21 32999951 AKPCQQLKSFIGIE-UHFFFAOYSA-N 324.384 2.432 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3ccsc3)CCO2)n1 78889324 PLADZDSCLLQEQW-NSHDSACASA-N 306.391 2.203 0 40 DEAB CN(C)c1ccc(C(=O)OCC(=O)NCc2ccccc2)cc1 3400868 NSWMDCOLQYHLBV-UHFFFAOYSA-N 312.369 2.226 0 40 DEAB Cc1cccc(C[C@H](C(=O)Nc2ccccc2)c2nnn[nH]2)c1 4169524 IKZRGQQVVWKSND-HNNXBMFYSA-N 307.357 2.473 0 40 DEAB O=C(CSc1ncccn1)Nc1ccc2c(c1)OCCCO2 6589780 HHEKJSXGOWNXRZ-UHFFFAOYSA-N 317.370 2.369 0 40 DEAB CN(c1ccccc1C(=O)NCc1ccccc1)S(C)(=O)=O 8091332 QRFUJFNVXPSJDO-UHFFFAOYSA-N 318.398 2.012 0 40 DEAB C[C@H](NC(=O)CCNC(=O)c1ccco1)[C@H]1C[C@H]2CC[C@H]1C2 104657484 FFGIXKFWQSAGPK-XDQVBPFNSA-N 304.390 2.340 0 40 DEAB O=C(COc1ccc(Cl)cc1Cl)N[C@H](C(=O)O)C1CC1 54502864 GGOZBTONOUUCNK-LBPRGKRZSA-N 318.156 2.352 0 40 DEAB COC(=O)C1CCN(C(=O)/C=C/c2ccccc2OC)CC1 10541832 BUDRUQAUGHOPNQ-BQYQJAHWSA-N 303.358 2.120 0 40 DEAB O=C(NCCNc1cnccn1)N[C@H]1CCCc2ccccc21 42960756 KGFZJDSLZZLBTI-HNNXBMFYSA-N 311.389 2.265 0 40 DEAB COc1cccc(S(=O)(=O)[C@@H](C)c2nc(C3CC3)no2)c1 55344316 XHMCBMLEEOFVSB-VIFPVBQESA-N 308.359 2.491 0 40 DEAB O=C(C[C@H]1CC2(CCNCC2)c2ccccc21)N1CCOCC1 107195529 IBVFJRRUXHYJPL-HNNXBMFYSA-N 314.429 2.044 0 40 DEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](CN2CCOCC2)C1 106851428 GEOCCQKDPCRHKJ-XWTMOSNGSA-N 320.477 2.384 0 40 DEAB Cn1nccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 58046428 YAHZRRVPMJOWEY-GFCCVEGCSA-N 309.373 2.316 0 40 DEAB Cc1cccc(C(C)C)c1NC(=O)Cn1cc(C(=O)O)nn1 62216748 BKYHEAJEUGLWRM-UHFFFAOYSA-N 302.334 2.047 0 40 DEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(-c2cnco2)c1 58166108 WCFLQIJENTWFEK-SMDDNHRTSA-N 313.357 2.442 0 40 DEAB C[C@H](NC(=O)NCCC1CCCC1)C(=O)NCc1ccco1 58208540 UWNDXGFRPZALRJ-LBPRGKRZSA-N 307.394 2.164 0 40 DEAB CCN(CC)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 44967256 HENDKPIAPFXYAZ-AWEZNQCLSA-N 309.410 2.013 0 40 DEAB CCN(C)C[C@@H]1CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 110632145 YEEFDXAVUKNBLG-YJBOKZPZSA-N 316.445 2.491 0 40 DEAB COC(=O)c1ccc(CCNC(=O)c2ccc3nccn3c2)cc1 65553687 WUNQXHKZMGIQNC-UHFFFAOYSA-N 323.352 2.093 0 40 DEAB CNC(=O)CCCC(=O)N1CCC[C@@H](c2nc(C)cs2)C1 96004347 HWHMWWZDRWBRRO-GFCCVEGCSA-N 309.435 2.074 0 40 DEAB CCCN(CCc1ccccn1)C(=O)[C@H](C)OCCOCC 65626153 WQTPAFDWHFSUGT-HNNXBMFYSA-N 308.422 2.304 0 40 DEAB COCCOCCCC(=O)NCCCOc1ccc(C)cc1 65612845 UQJXRTFDAVCSPU-UHFFFAOYSA-N 309.406 2.323 0 40 DEAB CCN(CC)S(=O)(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 66608215 MUSQZSMIKKDTPG-UWVGGRQHSA-N 302.362 2.284 0 40 DEAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cc[n+]([O-])cc2)cc1 5962283 KSOMYUSKIQZHAR-GFCCVEGCSA-N 315.325 2.147 0 40 DEAB Cc1nccc(CNC(=O)c2ccc3c(c2O)OC(C)(C)C3)n1 70009255 FZVLDKNVKPZLMR-UHFFFAOYSA-N 313.357 2.134 0 40 DEAB O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@H](n2cccn2)C1 69351648 OLKDNSHIBVZEPR-ZFWWWQNUSA-N 324.384 2.173 0 40 DEAB CSCc1ccc(CNCC2CCN(C[C@H](C)O)CC2)o1 69349949 FHNDFFJGNIKZCP-ZDUSSCGKSA-N 312.479 2.325 0 40 DEAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2sccc2C(N)=O)C1 17056035 IUOTZCLCDAGPOC-WDEREUQCSA-N 322.386 2.233 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 69528970 BVMFNMPYQOYFPJ-KGLIPLIRSA-N 302.374 2.114 0 40 DEAB O=c1onc(-c2cccs2)n1Cc1nnsc1Cl 69590667 FYCUBAKHNOTCFJ-UHFFFAOYSA-N 300.752 2.118 0 40 DEAB Cc1ccccc1C1(CNC(=O)N[C@H](C)c2nncn2C)CC1 69708586 LWQGPNOTEHEODE-CYBMUJFWSA-N 313.405 2.216 0 40 DEAB c1ccc(-c2cnc(CNC[C@H]3CCc4nncn4C3)o2)cc1 71871870 OPRWQRPQWDJPKD-CYBMUJFWSA-N 309.373 2.285 0 40 DEAB C[C@H](C[S@@](C)=O)NC(=O)NCc1csc(C(C)(C)C)n1 97086217 CTPZOZREGYLINC-YBYGRFCBSA-N 317.480 2.007 0 40 DEAB Cc1ccc(CN(C)C(=O)CN2CCC[C@H](c3ccn[nH]3)C2)o1 72270752 OSMHOQLUYZLEON-AWEZNQCLSA-N 316.405 2.149 0 40 DEAB O=C(Cn1cccn1)Nc1ccc(NC(=O)c2ccccc2)nc1 72296876 CGGMNBIOTJEWSI-UHFFFAOYSA-N 321.340 2.169 0 40 DEAB COC(=O)[C@@H](Sc1nnnn1C1CC1)c1ccccc1C 97163223 MQBUTTOWLBGCSU-LBPRGKRZSA-N 304.375 2.323 0 40 DEAB CNC(=O)NC(=O)[C@H](c1ccccc1)N1CCC[C@@H](C)CC1 84697686 BQPPBOVWVQYVIZ-HIFRSBDPSA-N 303.406 2.305 0 40 DEAB COC[C@@H](C)N1CCN(c2cncc(Br)c2)CC1 84640362 FUKLQNWIGVFOID-LLVKDONJSA-N 314.227 2.001 0 40 DEAB NC(=O)[C@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 95430328 DTDNVKWJDUSTKF-JTQLQIEISA-N 320.343 2.052 0 40 DEAB C[C@@](O)(CNS(C)(=O)=O)C(c1ccccc1)c1ccccc1 95461892 XXOZXUCZLWHUKT-QGZVFWFLSA-N 319.426 2.119 0 40 DEAB CS[C@H](CO)[C@@H](C)NC(=O)Cc1ccccc1C(F)(F)F 95427444 IVRGZPUNOOCPTH-BXKDBHETSA-N 321.364 2.477 0 40 DEAB CCCCc1cc(=O)[nH]c(Nc2ccc(O)c(C(=O)O)c2)n1 73647921 MFZIPWIPETVGAM-UHFFFAOYSA-N 303.318 2.260 0 40 DEAB C[C@H](CN(C)C(=O)c1cc(-c2cccc(F)c2)no1)C(=O)O 554340980 CJNNILSAINKAKC-SECBINFHSA-N 306.293 2.273 0 40 DEAB Cc1nnc(COC(=O)c2ccc([S@@](=O)C(C)C)cc2)o1 75145645 RRPBIGCBANSGMT-OAQYLSRUSA-N 308.359 2.251 0 40 DEAB CN(C)c1nccc(NC(=O)c2cnc(Cl)c(Cl)c2)n1 75144285 HFSPYDNXGSFYSG-UHFFFAOYSA-N 312.160 2.497 0 40 DEAB CC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@H]1N(C)C 89948492 DNSBWNOWDTWGRV-GXTWGEPZSA-N 314.385 2.205 0 40 DEAB CC(C)(C)OC(=O)Nc1ccc2c(c1)OC[C@]21COCCN1 306145429 FDUKFWOQEIZLNS-MRXNPFEDSA-N 306.362 2.241 0 40 DEAB O=C(Nc1ccccc1F)C1CCN(c2ncccn2)CC1 35311205 LDOQMXZDKBNKND-UHFFFAOYSA-N 300.337 2.471 0 40 DEAB COc1cccc2c1CN(C(=O)NC1CCC3(CC1)C[C@H]3N)C2 1551547456 SEEFRONJUJIGSP-CRPOECCBSA-N 315.417 2.380 0 40 DEAB COc1cccc2c1CC[C@@H]2N=c1nc(C2CCOCC2)[nH]o1 519692330 AYWOZMNVPDLQII-AWEZNQCLSA-N 315.373 2.494 0 40 DEAB C[C@@H](C(=O)O)n1cc(I)c(C2CC2)n1 72339390 CEFCWOSFDITBHG-YFKPBYRVSA-N 306.103 2.011 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 72227589 ZMGAFQKJEGUXMI-CABCVRRESA-N 316.744 2.484 0 40 DEAB O=C(CCN1CCCCC1)Nc1ccc(Cn2cncn2)cc1 72403181 AOGWXVFJWHPCCM-UHFFFAOYSA-N 313.405 2.141 0 40 DEAB C[C@@H](c1ccc(-c2ncccc2C(N)=O)cc1)N1CCOCC1 32561708 QISBXBAAPLRMRF-ZDUSSCGKSA-N 311.385 2.241 0 40 DEAB CCOC1(OCC)CCN[C@@H](CNC(=O)OC(C)(C)C)C1 36533497 NREYAFTVKXEXRE-GFCCVEGCSA-N 302.415 2.032 0 40 DEAB CN1C[C@H](NC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCC1=O 77583014 IAMWTDHGDGDSRX-MGPQQGTHSA-N 321.808 2.116 0 40 DEAB CCN(CCN)C[C@H]1CCCCN1C(=O)OCc1ccccc1 79391792 PDGYKRMPXHYBRW-QGZVFWFLSA-N 319.449 2.458 0 40 DEAB CC(C)c1nc(=NCc2cnc(Br)cn2)s[nH]1 521398401 DQOOELZSOLFKFL-UHFFFAOYSA-N 314.212 2.248 0 40 DEAB CCN(C[C@@H]1CCCN1CCO)C(=O)OCc1ccccc1 79411022 NPLCFBXMNVQOGA-INIZCTEOSA-N 306.406 2.102 0 40 DEAB CCOc1ccc(CNC(=O)c2cn(C)c(C)cc2=O)cc1 566979901 ITSLAOPXSMIIEE-UHFFFAOYSA-N 300.358 2.022 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)c2ccccc2Cl)n1 224185843 HPGYHXLCSQLVCP-UHFFFAOYSA-N 304.781 2.434 0 40 DEAB Cc1noc([C@H](NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)C(C)C)n1 195564952 UPMSEFJDEMJZLM-MGPQQGTHSA-N 322.409 2.332 0 40 DEAB CCCNC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 44903315 ZUCQAUJUJGOLKG-UHFFFAOYSA-N 324.446 2.142 0 40 DEAB COc1ccc(-c2ccnc(N[C@@H]3CCC(=O)N(C)C3)n2)cc1 570159121 SHTXJNWYDAUJMU-CYBMUJFWSA-N 312.373 2.185 0 40 DEAB Cc1cnc(C)c(N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)n1 195563769 UAWVTLZQUBQIIG-ZDUSSCGKSA-N 304.438 2.471 0 40 DEAB CS(=O)(=O)c1cc(NC(=O)c2cccnc2)ccc1Cl 191425741 FRJRGLYAQKTZGP-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB Cc1ncsc1C(=O)N1CCSC[C@H]1c1cnn(C)c1 191994977 JKPQOTBZOZHNMW-NSHDSACASA-N 308.432 2.115 0 40 DEAB CC(C)NC(=O)[C@@H]1CN(Cc2cccs2)Cc2ccnn2C1 96188757 XVDFHUPJWALGHE-CYBMUJFWSA-N 318.446 2.101 0 40 DEAB Fc1cc2nc(-c3cn(C4CCNCC4)nn3)[nH]c2cc1F 91425003 MAYWWJOEAIDREM-UHFFFAOYSA-N 304.304 2.024 0 40 DEAB NC(=O)CNC(=O)c1cccc(N[C@H]2CCC[C@H](C3CC3)C2)c1 92154605 HIFYFKVVFSIZPK-ZFWWWQNUSA-N 315.417 2.282 0 40 DEAB Cc1ccc(CN2CC3(CCN(C(=O)c4cccnc4)C3)C2)o1 96046457 KBSNKNYPVKUEAN-UHFFFAOYSA-N 311.385 2.331 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NC[C@H]1COC2(CCC(C)CC2)O1 96494917 GAIXZCFOLKQEHR-WKXXDYOBSA-N 321.421 2.089 0 40 DEAB O=C1C[C@@]2(CCN(Cc3ccsc3)C2)CN1c1cncnc1 96050826 ZKVIXESNHKCFRV-MRXNPFEDSA-N 314.414 2.167 0 40 DEAB CCS(=O)(=O)[C@H](C)[C@@H](O)c1ccc(Br)cc1 96519379 FJHHKLNCCAICEY-LDYMZIIASA-N 307.209 2.306 0 40 DEAB Cc1ccc([C@H]2[C@H](C(=O)NCc3ccco3)CC(=O)N2C)cc1 96181298 YKKJAJKSEVQYJJ-WBVHZDCISA-N 312.369 2.424 0 40 DEAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccc(F)c(OC)c1 96041469 VGKLIPMCPPSGCF-SQWLQELKSA-N 323.364 2.243 0 40 DEAB CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 343091838 JBYJNRHJMHLDNS-LBPRGKRZSA-N 320.414 2.031 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 257223310 DWUSCVPFZZTUFM-CYBMUJFWSA-N 305.403 2.231 0 40 DEAB O=C(Cc1ccc2c(c1)NC(=O)C2)Nc1ccc2nc[nH]c2c1 344789502 OTCOZVVYURHQOP-UHFFFAOYSA-N 306.325 2.239 0 40 DEAB CCOc1ccc(-n2nc(C(=O)O)c(N3CCCCC3)n2)cc1 256049292 ZFXYNIKXLYSVNH-UHFFFAOYSA-N 316.361 2.355 0 40 DEAB Cc1nccc([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257201611 AIIBNIDZOMTHIR-ZDUSSCGKSA-N 322.372 2.076 0 40 DEAB C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2N 253591737 TWXVMGOZCGGXHQ-HBFSDRIKSA-N 321.424 2.321 0 40 DEAB COc1ccc(CN2CCC3(CC2)OCCC[C@H]3O)c(F)c1 257225747 FHOUVTQNGXGAOE-MRXNPFEDSA-N 309.381 2.340 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCC(Oc2ncccn2)CC1 85557060 SJJNUWMAGCQZTE-UHFFFAOYSA-N 323.356 2.037 0 40 DEAB Cc1ncc(C(=O)N[C@H](C(=O)O)c2cccc(C)c2C)c(C)n1 263212123 ZSRGCZOKJZDCDT-HNNXBMFYSA-N 313.357 2.266 0 40 DEAB CCO[C@@H]1C[C@](O)(CNC(=O)[C@H](C)c2ccccc2)C1(C)C 276582664 JWPCKQCXJPZROE-SIIHOXLZSA-N 305.418 2.472 0 40 DEAB O=C(NCc1ccc(C2CCC2)cc1)N[C@@H]1CCCCNC1=O 276844884 CTFAGBCGMIDCJF-MRXNPFEDSA-N 315.417 2.422 0 40 DEAB CC(C)(C)[C@@H](O)CN1CCN(CCOc2cccc(F)c2)CC1 69878387 WWNAYXGTTBVBSN-KRWDZBQOSA-N 324.440 2.229 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CN(c2ccc(F)cc2)CCO1 72366446 RWJJCVQZRWGCIA-LBPRGKRZSA-N 307.350 2.126 0 40 DEAB c1ccc(-n2ncnc2[C@H]2COCCN2c2nccs2)cc1 893737184 UFYOCGAAMGMJMU-CYBMUJFWSA-N 313.386 2.302 0 40 DEAB Cc1ccc(S(=O)(=O)C2(C(=O)NCC3CC3)CCC2)cc1 58423834 GNXDBXQSBJNGJM-UHFFFAOYSA-N 307.415 2.218 0 40 DEAB Cc1cc(Br)cnc1N1CCC[C@H](OCCO)C1 195538706 MRKBBNAWUGPNTG-LBPRGKRZSA-N 315.211 2.130 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccco2)c1 16807978 DEUVHPXSJHNYFU-SNVBAGLBSA-N 300.314 2.239 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H]2c2cc(CN(C)C)n(C)n2)n1 19709078 PQZKOBNLNSWNMK-MRXNPFEDSA-N 314.437 2.230 0 40 DEAB CC(=O)N1CC(C(=O)N2CCC[C@@H]2c2cc(C)ccc2C)C1 19747514 XDZSQORFAWNYDX-QGZVFWFLSA-N 300.402 2.445 0 40 DEAB CC(=O)N1CCC(Cc2cc(N3CCCC3)nc(C)n2)CC1 19758711 AMVCRSALCROCGW-UHFFFAOYSA-N 302.422 2.186 0 40 DEAB CC(C)(C)c1ccc(OC[C@H]2CCN(c3ncccn3)C2)nn1 1888843288 WUUNUQOKKFJDRA-ZDUSSCGKSA-N 313.405 2.469 0 40 DEAB c1cnc(N2C[C@H]3CN(c4nc5ccccc5o4)C[C@@H]3C2)nc1 1888882137 GXMBKDBBXXWSHQ-STQMWFEESA-N 307.357 2.190 0 40 DEAB CC(C)C(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccncc1 51618 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O=c1cnc2ccccc2n1Cc1nc(-c2ccccc2)no1 32667982 BARYITORQUJIEP-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB O[C@H](COc1ccccc1)CN1C2=NCCN2c2ccccc21 301977 LANOFCYDNTXDBD-AWEZNQCLSA-N 309.369 2.123 0 40 DEAB CCOC(=O)c1cnc(SCc2noc(C(C)C)n2)nc1N 52889497 ISQAQZLDJHGSGT-UHFFFAOYSA-N 323.378 2.034 0 40 DEAB CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)N(CC)CC)C1 408399 ZTJPMPSEGYARKS-UHFFFAOYSA-N 307.438 2.265 0 40 DEAB Cn1cc(NC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)cn1 84318652 NUTJYCGVCXSCPP-GFCCVEGCSA-N 319.796 2.474 0 40 DEAB O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@H](C(F)(F)F)C1 84338756 VGPSEHMSNZUMDE-JTQLQIEISA-N 314.307 2.278 0 40 DEAB Cc1cc2c(nc1C)sc1c(SCC(N)=O)ncnc12 12323277 XFHMIUVAVQTRJL-UHFFFAOYSA-N 304.400 2.434 0 40 DEAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)Nc1cc[nH]n1 78975868 RKXAJFUTZFLNNA-ZDUSSCGKSA-N 306.410 2.459 0 40 DEAB CC(C)[C@]12C[C@@H](COCc3ccccc3)OC1=NC(=O)NC2=O 1563711 NMUBLEHIFUIDAZ-GUYCJALGSA-N 316.357 2.283 0 40 DEAB CC(C)(C)C(=O)NCCC(=O)N1CCOc2cccc(F)c21 79103201 PXCIVDXWAQWXNR-UHFFFAOYSA-N 308.353 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318.348 2.136 0 40 DEAB Cc1cc(CN2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)no1 89604783 GQVHCSSNVQJEFT-QZTJIDSGSA-N 313.401 2.068 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)NC1(CCO)CCC1 95462036 CVEFZEXWDFIRBQ-UHFFFAOYSA-N 303.811 2.232 0 40 DEAB COC(=O)[C@@H]1C[C@@H](O)CN1Cc1cc(Cl)ccc1Cl 96424202 KCAMEGIPWIABID-PWSUYJOCSA-N 304.173 2.102 0 40 DEAB Cc1ccc(N[C@H]2SC(=O)N(CCC(=O)O)C2=O)c(C)c1 16740561 QLKUWBFIBXAOGZ-LBPRGKRZSA-N 308.359 2.212 0 40 DEAB O[C@@]12C[C@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]41)C(Br)(Br)[C@H]2[C@H]35 169795849 OOJNESNZJVMXNF-KTAYFMQGSA-N 320.024 2.365 0 40 DEAB CC[C@H](O)CN1C(=O)N[C@](C)(c2ccc(F)cc2Cl)C1=O 156740898 MAQYPYLLHOZZHE-LKFCYVNXSA-N 314.744 2.017 0 40 DEAB Cc1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)nc1 4056903 WUKVSKHAQDVBSF-UHFFFAOYSA-N 310.361 2.016 0 40 DEAB COc1ccccc1CNC(=O)COc1ccc2c(c1)OCO2 6128685 FSWBBQHHYGUKQU-UHFFFAOYSA-N 315.325 2.119 0 40 DEAB COc1cccc(-c2n[nH]c3c2[C@@H](c2cccnc2)NC3=O)c1 4626579 AMOUYIZJBQLDMB-CQSZACIVSA-N 306.325 2.313 0 40 DEAB 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COCCN(C)C(=O)[C@@H]1CCCN(c2ccc(Cl)cn2)C1 78658189 BAQBLBQMTJDPKK-GFCCVEGCSA-N 311.813 2.056 0 40 DEAB COc1coc(C(=O)Nc2nc3c(s2)CCCC3)cc1=O 72405665 LWSULZPJJIKWFE-UHFFFAOYSA-N 306.343 2.236 0 40 DEAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCO[C@H](C)C1 12344338 PGNJIJMKGRDEEP-MNOVXSKESA-N 314.332 2.336 0 40 DEAB CCCCOc1ccc(-c2nnn(C(C)(C)C(=O)OC)n2)cc1 4130085 JXJOUYQWFSEAKQ-UHFFFAOYSA-N 318.377 2.427 0 40 DEAB C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1O 6958652 AJLFUYDINZMTOT-XYOKQWHBSA-N 302.330 2.042 0 40 DEAB O=C1CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1 54259233 IUHSADLJDCVKDO-SFHVURJKSA-N 323.396 2.188 0 40 DEAB CN(C(=O)c1cccc(N2CCCS2(=O)=O)c1)C1CCCC1 54671293 HOXMIVRYLMKUQQ-UHFFFAOYSA-N 322.430 2.241 0 40 DEAB O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC[C@H](O)C1 47713828 RKHOEPCDGLRYIK-VIFPVBQESA-N 304.268 2.416 0 40 DEAB CSc1nc2ccc(NC(=O)[C@H](C)NC(N)=O)cc2s1 25261051 RNANNGLSOHXSFK-LURJTMIESA-N 310.404 2.014 0 40 DEAB CN(C)CCCN(CCCN(C)C)C(=O)c1ccccc1F 57157463 DUBMILJXHYPKTA-UHFFFAOYSA-N 309.429 2.171 0 40 DEAB O=C1C[C@@H](c2ccccc2)N(C(=O)CC(F)(F)F)CCN1 57348479 MEZSSGDBIHPTHA-NSHDSACASA-N 300.280 2.029 0 40 DEAB C[C@H](Nc1cnn(CCN(C)C)c1)c1ccc2c(c1)OCCO2 97037666 JXTIBVBVLGMCJF-ZDUSSCGKSA-N 316.405 2.389 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)/C=C/c2cccnc2)C(=O)N1c1ccccc1 104153234 QSPXXALKYXCFQV-HVMBIVEYSA-N 321.380 2.405 0 40 DEAB C[C@@H](O)CNCc1cc(Br)c2c(c1)OCCCO2 35601420 MDPHHCZLKBKMOQ-SECBINFHSA-N 316.195 2.081 0 40 DEAB Cn1ncc2c(NCCCc3nc4ccccc4[nH]3)ncnc21 12603238 XVIWVGBYYYVSHO-UHFFFAOYSA-N 307.361 2.284 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC1=O 44891634 DDHTVVIBFKMTDX-UHFFFAOYSA-N 312.373 2.050 0 40 DEAB CNC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 58278187 VFGWCAQSARHAIX-NSHDSACASA-N 301.173 2.344 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(C(=O)NC)cc1 58225106 PWIDTWFCNNNGHO-YCABEKBOSA-N 316.401 2.087 0 40 DEAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H](c2nccs2)C1 109052833 LKJWNIFQIDPOQW-LLVKDONJSA-N 313.386 2.434 0 40 DEAB COCCNc1ccc(CNC(=O)Nc2cc(C)on2)cc1 58344797 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Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 64364334 BZQVDPGMXJENHU-QWRGUYRKSA-N 321.283 2.484 0 40 DEAB CC(C)c1nnc2n1C[C@@H](NC(=O)CCc1ccco1)CC2 65458756 QCJMDJSKZAKEPN-LBPRGKRZSA-N 302.378 2.058 0 40 DEAB O=C(NC1CCN(C(=O)/C=C/c2ccco2)CC1)c1ccc[nH]1 65474833 MFJABBJRNQORNP-AATRIKPKSA-N 313.357 2.042 0 40 DEAB CN(C)C(=O)COC(=O)c1csc(NCc2ccccc2)n1 6373376 NQIPTZXKHKAAPR-UHFFFAOYSA-N 319.386 2.000 0 40 DEAB COc1ccc(C)cc1NC(=O)COc1ccccc1C(N)=O 4550331 VHHKWNUQODUCSK-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1 6540488 RPFMNYMWMJJBJN-SECBINFHSA-N 302.296 2.350 0 40 DEAB O=C(NCc1nnc2ccccn12)c1ccc(Cl)cc1F 14304390 JJDQFQGMFGTSKG-UHFFFAOYSA-N 304.712 2.452 0 40 DEAB CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)Cc1ccccc1 67730829 SCUUVNUAGONGBT-ZDUSSCGKSA-N 306.431 2.045 0 40 DEAB C[C@@H](NC(=O)COC(=O)[C@@H]1CCCO1)c1cc2ccccc2o1 7694477 SBQXJHDKWGFGGV-RISCZKNCSA-N 317.341 2.332 0 40 DEAB Cc1ccc(S(=O)(=O)NC(C)C)cc1C(=O)N1CCCCC1 408619654 IDZDECYOHAOSBQ-UHFFFAOYSA-N 324.446 2.308 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2ncccn2)c1C 9836434 HVWXXJVDOOQUTF-UHFFFAOYSA-N 305.359 2.183 0 40 DEAB O=C(CCc1ncc(-c2ccccc2)o1)NCc1cc[nH]c(=O)c1 69484250 RMFFGSRCVDFNKY-UHFFFAOYSA-N 323.352 2.279 0 40 DEAB CCN(Cc1c(F)cccc1F)C(=O)CCNC(=O)[C@@H]1C[C@H]1C 69414040 NTYMLFLJZUHKCZ-VXGBXAGGSA-N 324.371 2.476 0 40 DEAB O=C(c1cc2c(s1)CCOC2)N1CCC[C@@H](n2ccnc2)C1 69620368 WRTQJXMRHXCYTO-CYBMUJFWSA-N 317.414 2.495 0 40 DEAB C[C@@H](N[C@@H]1CCc2ncnn2C1)c1nc(-c2cccs2)no1 69737439 ISAGUPGIYABCGK-NXEZZACHSA-N 316.390 2.055 0 40 DEAB O=C(Cn1ccc(C(F)(F)F)n1)NCc1cc(F)ccc1F 69876241 ODCCGXNWFSHFPP-UHFFFAOYSA-N 319.233 2.497 0 40 DEAB CC1(C)NC(=O)N(CCSC2=Nc3ccccc3C2)C1=O 69974606 OMPMJDZJZWEZOM-UHFFFAOYSA-N 303.387 2.336 0 40 DEAB O=C(Nc1cccnc1)N[C@@H]1CCN(c2ccccc2F)C1=O 71900744 NEBKBUNCLGDNOP-CYBMUJFWSA-N 314.320 2.148 0 40 DEAB CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)Nc2cccnc2)C1 71909537 KANZSGIIVIKJLR-QWHCGFSZSA-N 304.394 2.287 0 40 DEAB Cc1cc(NC[C@H](O)c2cnn(C)c2)ncc1Br 97022098 CPUBXQYOBDCQCO-NSHDSACASA-N 311.183 2.032 0 40 DEAB COc1ccccc1NC1CCN(CC(=O)N2CCCC2)CC1 95432264 MYNWQOCSMGHEDI-UHFFFAOYSA-N 317.433 2.194 0 40 DEAB O=C(NCCc1ccc2c(c1)OCO2)NC(C1CC1)C1CC1 29730402 GYCSBUKGJMMOCC-UHFFFAOYSA-N 302.374 2.446 0 40 DEAB C[C@H](CO)NC(=O)NCCCO[C@H]1CCCc2ccccc21 73221245 WVEPKKTYMSJPEF-CJNGLKHVSA-N 306.406 2.151 0 40 DEAB Cc1n[nH]c(SCC(=O)N[C@H](c2ccncc2)C(C)C)n1 73673682 WSTQSHDKIIPWCI-ZDUSSCGKSA-N 305.407 2.114 0 40 DEAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)[C@H](C)S(C)(=O)=O 110620040 ZOOARBUOVURPRG-OSFYFWSMSA-N 309.431 2.213 0 40 DEAB COc1ccccc1C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 95980296 IFISJYNQQCOQQM-AWEZNQCLSA-N 315.373 2.249 0 40 DEAB CCS(=O)(=O)N(C)CCCNc1ncnc2cccc(C)c12 75094110 TVFKEZUEUQIWKK-UHFFFAOYSA-N 322.434 2.022 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1)[C@H](O)c1ccc(F)cc1 89598506 PVEJVYXGLHELFT-PXAZEXFGSA-N 303.333 2.443 0 40 DEAB CC(C)C(=O)N1CC[C@H](NC(=O)N2CCC[C@H]2C2CCC2)C1 89775628 PDETXUWCOQXDAO-GJZGRUSLSA-N 307.438 2.217 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCc3c(F)cccc32)C1 89919433 HTIODCKYSRPITK-WMLDXEAASA-N 320.364 2.408 0 40 DEAB Cc1ccc(C)c([C@H]2CN(CCn3cncn3)[C@H](C)CO2)c1 75837022 QKEOHWGGKAHUSF-NVXWUHKLSA-N 300.406 2.357 0 40 DEAB CC(C)CO[C@@H](C)C(=O)NCc1ccc(N2CCCC2)nc1 42497911 TVKZYNKXMYDFAV-AWEZNQCLSA-N 305.422 2.359 0 40 DEAB CCCCCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 36661215 XMOFQZSMKVHPOS-GUYCJALGSA-N 323.437 2.184 0 40 DEAB C[C@H]1CN(Cc2ccc(C(=O)Nc3cc[nH]n3)cc2)C[C@H](C)O1 68440663 HFHMFNLAKCMVRP-STQMWFEESA-N 314.389 2.271 0 40 DEAB CNS(=O)(=O)Cc1cccc(CNCc2ccsc2)c1 78553410 HIFMKZVNYRKLPH-UHFFFAOYSA-N 310.444 2.087 0 40 DEAB COC[C@@H](O)CN1CCSC[C@H]1c1ccc(Cl)cc1 182314075 YUQPEQAFOBFOBX-KBPBESRZSA-N 301.839 2.437 0 40 DEAB Cc1noc([C@@H](C)NC(=O)C[C@H]2OCCc3ccccc32)n1 79357784 WTOMZNFOGAJQHX-QMTHXVAHSA-N 301.346 2.259 0 40 DEAB O=C(NC[C@@H](O)Cc1ccccc1)c1cc(-c2ccco2)on1 70639229 WASPSEDDZKKKEU-ZDUSSCGKSA-N 312.325 2.268 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)C1CCN(Cc2ccccc2)CC1 79394295 KFJWLVAONFBULE-KRWDZBQOSA-N 303.450 2.093 0 40 DEAB O=C(O)c1c(F)cc(F)c(I)c1F 36532776 JALFCFDOJRNUHE-UHFFFAOYSA-N 301.989 2.407 0 40 DEAB O=C(CN1CCC[C@H](c2ccn[nH]2)C1)NCCc1cccs1 72270624 FQRXTCCFXFSOPJ-ZDUSSCGKSA-N 318.446 2.010 0 40 DEAB COc1cccc(-c2nccnc2[C@@H]2CCCN(CCO)C2)c1 72358376 LGLPCJAJUOEJML-OAHLLOKOSA-N 313.401 2.324 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1C(=O)COCC(F)(F)F 81613018 IGDYVNFVQSTEGY-NSHDSACASA-N 316.323 2.432 0 40 DEAB Cc1noc(C)c1CC(=O)N(C)C[C@@H]1Cc2ccccc2CO1 225789340 AIJXSSCOLRWJSW-INIZCTEOSA-N 314.385 2.434 0 40 DEAB COc1cccc(N2CCN(C(=O)[C@@H](C)OCC(C)C)CC2)c1 42720512 GXTTWCWMLHVFJX-OAHLLOKOSA-N 320.433 2.405 0 40 DEAB CCCNC(=O)c1cc2nc(C(=O)OC)n(C)c2cc1Cl 225730064 SPVSRAATAKJRDU-UHFFFAOYSA-N 309.753 2.153 0 40 DEAB O=S1(=O)[C@@H](c2ccccc2)CCN1Cc1ccc(F)cn1 571115751 XNTRELUGPMKWTE-OAHLLOKOSA-N 306.362 2.498 0 40 DEAB Cc1cccc(C(C)C)c1NCC(=O)NCC(=O)N1CCCC1 85288060 XRTHVLLZUVYBPY-UHFFFAOYSA-N 317.433 2.269 0 40 DEAB COC(=O)c1cc(CSc2nnnn2C2CC2)c(C)s1 89117126 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c1cc(CN2CCCn3nnc(COCC4CC4)c3C2)ccn1 96058848 XQFRVEFHMVGYDI-UHFFFAOYSA-N 313.405 2.006 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3cccnc3)CC(=O)N2C)cc1 96181339 ZAGMLLMKSSMJJD-FUHWJXTLSA-N 323.396 2.226 0 40 DEAB NC(=O)c1cnccc1N[C@H]1CCN(c2ccc(F)cc2F)C1 95941124 ZBWNLIIOEYYERC-NSHDSACASA-N 318.327 2.150 0 40 DEAB COCCOC[C@H]1CCN(C(=O)c2ccc3[nH]ccc3c2)C1 96431803 HWWQQUOHVOKFGU-ZDUSSCGKSA-N 302.374 2.293 0 40 DEAB CC[C@H]([C@H](O)c1ccc(Br)cc1)S(C)(=O)=O 96519453 LBWIDWAIHTXLTK-GHMZBOCLSA-N 307.209 2.306 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[C@H](O)COC[C@H]1CCCO1)C2 245228323 QDJWMGKQXHYRSH-UJHHCITNSA-N 311.466 2.347 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CC[C@H]3NCCCC[C@H]3C2)[nH]n1 257243687 IICZBFWIGVRPOQ-QWHCGFSZSA-N 304.438 2.311 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3cc(Cl)no3)C2)n1 257321713 WCWKGRNCGORIRT-SNVBAGLBSA-N 308.769 2.308 0 40 DEAB C[C@H]1c2nc(C(=O)N3CC=CC3)cn2CCN1CC1CCCC1 253590672 DFSXMMCLLUZOIE-AWEZNQCLSA-N 314.433 2.462 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257295044 QWRPPHTYJOMPDA-GFCCVEGCSA-N 323.393 2.192 0 40 DEAB Cc1nccc(N2CCC[C@@H]2c2nccnc2-c2nccn2C)n1 257312445 UNZKCUCJRSNUGL-CYBMUJFWSA-N 321.388 2.317 0 40 DEAB Cc1ncc(C(=O)N[C@@H](C(=O)O)c2cccc(C)c2C)c(C)n1 263212124 ZSRGCZOKJZDCDT-OAHLLOKOSA-N 313.357 2.266 0 40 DEAB O=C(NCCn1nc(C2CC2)ccc1=O)c1cccc(Cl)c1 575608122 LWKJVSMJJUYLCC-UHFFFAOYSA-N 317.776 2.204 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)c2nc3c(o2)CCN(CCF)C3)C1 585112515 QNZRLMLMDHHDGS-TXEJJXNPSA-N 309.385 2.120 0 40 DEAB CCCC(=O)N1C[C@@H]2OC[C@H](CCOCc3ccccn3)[C@@H]2C1 585094043 DFZQUGQJHPPMIR-XIRDDKMYSA-N 318.417 2.262 0 40 DEAB O=C(COCCc1ccccc1)N[C@@H]1CCC[C@@H]1n1ccnc1 69848967 KUJPBAAEUZXUIJ-SJORKVTESA-N 313.401 2.352 0 40 DEAB COc1nn(C)cc1C(=O)N1CC2(CC(c3ccccc3)C2)C1 1776000783 JVXGGVMZULPIHV-UHFFFAOYSA-N 311.385 2.449 0 40 DEAB O=C(N[C@@H]1CCCc2cn(C3CCCC3)nc21)N1CCOCC1 96002798 MCHIWQFXSLLLEI-OAHLLOKOSA-N 318.421 2.417 0 40 DEAB O=C(NC[C@H]1CCCC[C@H]1O)c1c[nH]nc1-c1ccccc1F 87387248 BCYNKQLCZGYSSX-IAQYHMDHSA-N 317.364 2.497 0 40 DEAB NC(=O)c1ccc(/C=C/C(=O)N2CCc3ccccc3CC2)cc1 78986494 KDSCSUHGLPIWMX-JXMROGBWSA-N 320.392 2.426 0 40 DEAB Cc1cc2oc(-c3ccc(O)cc3)c(CC(=O)O)c2c(=O)n1C 1547138987 IZDXLZCJWONDKR-UHFFFAOYSA-N 313.309 2.440 0 40 DEAB biogenic CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O 1469712 YMCLAYSVBWFROW-WQLSENKSSA-N 321.354 2.295 0 40 DEAB COCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 13748619 BAZOQGVWWVVWKW-UHFFFAOYSA-N 321.446 2.246 0 40 DEAB CON(Cc1ccccc1)C(=O)Nc1cccnc1-n1cncn1 158956614 AEGZOTJXXDDWSY-UHFFFAOYSA-N 324.344 2.258 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)CSc2nc(C)n[nH]2)c1C 11710487 XZTZAHGPEZYXPX-UHFFFAOYSA-N 322.390 2.210 0 40 DEAB O=C(N[C@@H]1CC[C@H]2OCCO[C@H]2C1)c1ccc2ncsc2c1 253408291 XKTFRJRQGLHGML-BNOWGMLFSA-N 318.398 2.363 0 40 DEAB COc1ccc(Cl)cc1S(=O)(=O)NCc1ccncc1 7319105 IDYXWEGQJGPQOW-UHFFFAOYSA-N 312.778 2.222 0 40 DEAB CC(C)(C)c1ccc(N2C[C@H]3CN(C(=O)C4CC4)C[C@@H]3C2)nn1 1888844577 KCOHDCQHMOGPJV-KBPBESRZSA-N 314.433 2.079 0 40 DEAB Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)C2CC2)cc1 7508437 PIQWESLFVPNYHA-UHFFFAOYSA-N 320.352 2.438 0 40 DEAB O=C(CCc1ccc[nH]1)N1CCc2ncnc(C3CC3)c2CC1 2055729896 ZKYNSKQEEMYHHJ-UHFFFAOYSA-N 310.401 2.242 0 40 DEAB NC(=O)Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 32096937 TUKQYPSQRYNQQS-ZHACJKMWSA-N 316.382 2.127 0 40 DEAB CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1CC=CCC1 81967254 NQKIUVYSJXSJJZ-SJORKVTESA-N 303.402 2.379 0 40 DEAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccncc3)C[C@H]2C[C@@H]1O 2332242901 YLIPOHVDBVIMLB-MHORFTMASA-N 312.417 2.031 0 40 DEAB CC[C@H]1CCCCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 50124666 ODEHAUOJHCJJHH-SOUVJXGZSA-N 320.433 2.343 0 40 DEAB CCc1nc(C)c(C(=O)NCCNC(=O)OC(C)(C)C)s1 50627590 IKDXZTSJXMVVHE-UHFFFAOYSA-N 313.423 2.268 0 40 DEAB CC(C)(C)C(=O)NCC(=O)N(Cc1ccc(F)cc1)C1CC1 21068942 FBWZRNDWFDWWQB-UHFFFAOYSA-N 306.381 2.479 0 40 DEAB Cc1nc(-c2cc3cccc(C)c3nc2N2CCNCC2)no1 32578987 SBGMATYWKOFKOL-UHFFFAOYSA-N 309.373 2.311 0 40 DEAB Cc1cnc(NC(=O)CCc2nc(-c3ccccn3)no2)s1 32914366 QZXYVRBKDRSHHO-UHFFFAOYSA-N 315.358 2.468 0 40 DEAB CSCC[C@H]1NC(=O)N(CCOc2cc(C)ccc2C)C1=O 32910604 ZBDPROYZAVFJQW-CYBMUJFWSA-N 322.430 2.356 0 40 DEAB COC(=O)c1ccc(CCNC(=O)c2cc(Cl)c[nH]2)cc1 32900530 MHSZPSNZTJZNFI-UHFFFAOYSA-N 306.749 2.427 0 40 DEAB CNC(=O)[C@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1 33212346 NVNIXHFRHTUKIB-MRXNPFEDSA-N 311.385 2.218 0 40 DEAB CC(C)CNC(=O)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 46975526 SFHIIVJBGBKGIA-CQSZACIVSA-N 306.406 2.223 0 40 DEAB Cc1nsc(NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)n1 78949746 MEPVRODVZXQZJS-SNVBAGLBSA-N 320.374 2.073 0 40 DEAB CCCC[C@H](CC)COC[C@H](O)Cn1cnc2c(N)ncnc21 1584933 XARHGWKYPBNCAF-QWHCGFSZSA-N 321.425 2.002 0 40 DEAB O=C1c2ccccc2S(=O)(=O)N1Cc1cc(F)ccc1F 53358092 UZJNIHUOAPNJCU-UHFFFAOYSA-N 309.293 2.310 0 40 DEAB CC(C)CCNC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 3423083 PJJFKSMWAZAYRC-UHFFFAOYSA-N 305.346 2.459 0 40 DEAB Cc1cnn(-c2ccc(C(=O)O[C@H]3C[C@@H](C)OC3=O)cc2)c1 53889155 CBQSLMLOCKHIMV-RISCZKNCSA-N 300.314 2.042 0 40 DEAB CCCN1CCN([C@@H](C)C(=O)Nc2ccc(C)c(F)c2)CC1 22915765 XKBNKJPGGGNQOJ-AWEZNQCLSA-N 307.413 2.489 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 72294967 YTDDHUPOTMQFMF-CYBMUJFWSA-N 316.409 2.219 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccccn2)cc1 6613767 HSIVOBCJAFKROE-UHFFFAOYSA-N 320.370 2.048 0 40 DEAB CC1(C)CC(=O)c2cc(C(=O)Nc3ccccn3)c(=O)[nH]c2C1 6664857 GVVHEISVPVUUKE-UHFFFAOYSA-N 311.341 2.177 0 40 DEAB Cc1ccc(OC(F)F)c(N2C(=O)[C@H]3[C@@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 6922574 OCXKRFIXCDPEGI-RNJOBUHISA-N 323.295 2.263 0 40 DEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 6953169 PGUDLTPRLGRWEE-ZDUSSCGKSA-N 323.824 2.187 0 40 DEAB FC(F)(F)c1nc2nccn2nc1SC1=NCCS1 8782871 ZCIKFOOWVOYDHX-UHFFFAOYSA-N 305.310 2.338 0 40 DEAB CC(C)S(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 54859168 KUOZSWSTDIXVIF-UHFFFAOYSA-N 309.309 2.467 0 40 DEAB CCOC(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccccn1 1441623 DMHWROJHDQJCCZ-CQSZACIVSA-N 312.329 2.309 0 40 DEAB Cc1ccc([C@H]2[C@H]3C(=O)NC(=O)[C@H]3ON2c2ccccc2)cc1 100799069 KZALQMWVVYVNMM-PMPSAXMXSA-N 308.337 2.129 0 40 DEAB O=C(NCCc1ccccn1)c1ccc(CN2CCCC2=O)cc1 25440053 VIEDYHCTTLURGK-UHFFFAOYSA-N 323.396 2.177 0 40 DEAB O=C(/C=C/c1ccccc1)NCc1ccnc(N2CCOCC2)c1 25757313 UOPYKCUZISMIKK-VOTSOKGWSA-N 323.396 2.248 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NC[C@H](c1ccsc1)N(C)C 25815231 LJISKRAMWBRRKT-OAHLLOKOSA-N 320.462 2.060 0 40 DEAB CN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(F)cc1Cl 44303559 QGOXKPRHHAMWCQ-UHFFFAOYSA-N 317.773 2.033 0 40 DEAB CSc1nc(C)c(CCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)n1 95385703 BLPLNBAYNQZXBO-QWRGUYRKSA-N 323.462 2.384 0 40 DEAB CN1c2ccccc2C(=O)N[C@@H]1c1cc2ccccc2[nH]c1=O 44689109 OLQDXXSOHCITMH-INIZCTEOSA-N 305.337 2.407 0 40 DEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc2[nH]nnc2c1 44868772 BWWVMLBIDLPOMU-UHFFFAOYSA-N 324.340 2.349 0 40 DEAB COc1cc(CNC[C@@H](O)c2ccccc2F)cc2c1OCO2 58264068 JBWQJZVCQLXREO-CQSZACIVSA-N 319.332 2.386 0 40 DEAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc(-c2ccco2)on1 44941912 LAPOVHORYHTNJT-DGCLKSJQSA-N 301.346 2.291 0 40 DEAB CC(=O)N1CCC(Nc2cc(C)nc(-c3ccncc3)n2)CC1 58356739 QAOGUDCKWUXAKD-UHFFFAOYSA-N 311.389 2.270 0 40 DEAB CO[C@@H]1[C@H](COC(=O)C2CCCCC2)O[C@@H]2OC(C)(C)O[C@H]21 104113213 LVMXTLVYAUOSRO-SFDCQRBFSA-N 314.378 2.001 0 40 DEAB CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1CCCC1 12810417 YLPVTDUKJAGNFU-UHFFFAOYSA-N 306.790 2.252 0 40 DEAB O=C(Cc1cccc(F)c1)NCc1cccnc1-n1ccnc1 29920774 BUQJEIXOWXKAIW-UHFFFAOYSA-N 310.332 2.265 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)N1CCc2ccccc2C1)C(=O)OC 12900715 NNMIXCYAZIILED-DOMZBBRYSA-N 304.390 2.342 0 40 DEAB biogenic CC(C)n1c(N)nnc1S[C@@H](C)C(=O)N1CCCCCC1 62801214 HHENDWLOFADNOB-NSHDSACASA-N 311.455 2.324 0 40 DEAB CC[C@H](C)C(=O)NCC(=O)N(Cc1ccco1)CC(F)(F)F 71185283 FARNREWGAOCQPC-JTQLQIEISA-N 320.311 2.333 0 40 DEAB COCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 409127205 GUQXAORMQUFSKM-UKTHLTGXSA-N 323.370 2.387 0 40 DEAB O=c1[nH]c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2[nH]1 6093649 DVQPRGWUSFIHIB-CMDGGOBGSA-N 315.354 2.269 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NCc1nc2ccccc2[nH]1 9156107 JVKBOLZTQPAVPU-UHFFFAOYSA-N 311.389 2.162 0 40 DEAB Cc1cc(C(=O)NCCN2CCCCC2)nn1-c1ccccc1 65423607 JVJJHFUICCGZLO-UHFFFAOYSA-N 312.417 2.396 0 40 DEAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C)CN1CCOCC1 65517298 QAMIZHKQSBOVOZ-MRXNPFEDSA-N 304.434 2.392 0 40 DEAB Cc1nc(NC(=O)CN2CCC(c3cn[nH]c3)CC2)sc1C 97202784 UEJAUDWQIZONJG-UHFFFAOYSA-N 319.434 2.301 0 40 DEAB COc1ccc(C(=O)OCC(=O)N2[C@@H](C)CCC[C@H]2C)c(O)c1 7396914 JEQBRLDAASLWTL-TXEJJXNPSA-N 321.373 2.347 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)Cn2nc(C)cc2C)cc1 7616207 QZPOTJLXTRWKFP-CYBMUJFWSA-N 307.419 2.175 0 40 DEAB C[C@@H]1NC(=O)N(CC2(c3cccc(Br)c3)CC2)C1=O 97045880 SZXQZPWAMWSHNI-VIFPVBQESA-N 323.190 2.421 0 40 DEAB Cc1ccccc1C[C@H](C)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 97033481 BTOSGTHRGTUQQD-BHYGNILZSA-N 304.434 2.151 0 40 DEAB Cc1ccc(S(=O)(=O)N2C[C@@H](C)OCC2(C)C)cc1F 91051477 JUTUIUFEMUSLQV-LLVKDONJSA-N 301.383 2.322 0 40 DEAB C[C@@H](CCc1cccn1C)NC(=O)c1ccc(C(=O)O)cc1 96479891 RYSNDEZQSRKNGQ-LBPRGKRZSA-N 300.358 2.474 0 40 DEAB CCOc1ccccc1CNCC1CCN(C[C@@H](C)O)CC1 69347312 RFBHENJRFQYOHD-OAHLLOKOSA-N 306.450 2.268 0 40 DEAB CC(C)[C@@H](CNC(=O)CCN1C(=O)CCC1=O)c1ccccc1 27628040 SAFCUZRVTVSCQT-OAHLLOKOSA-N 316.401 2.082 0 40 DEAB CCCCOC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12 8389398 AIGVEMRNUUBLFZ-UHFFFAOYSA-N 303.314 2.028 0 40 DEAB Cc1nnc2n1CCN(C(=O)CCc1ccc([C@@H]3C[C@H]3C)o1)C2 69454038 HTMWIMMNFNDVOJ-BXUZGUMPSA-N 314.389 2.278 0 40 DEAB O=C(NCc1cccc(F)c1)c1c(O)c2c([nH]c1=O)CCCC2 17123245 RHCXUWHIADIEPJ-UHFFFAOYSA-N 316.332 2.028 0 40 DEAB COc1c(Cl)cccc1NC(=O)NCCNc1ncccn1 69537258 OIRJFCPFTNQQNH-UHFFFAOYSA-N 321.768 2.372 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCCC3)C2)s1 69810632 ZITQVLQCBLJUNQ-GFCCVEGCSA-N 314.476 2.352 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1)C2 69922661 IBQFIAQFJMKOTG-KBPBESRZSA-N 314.364 2.126 0 40 DEAB CCCCc1ccc(CC(=O)N2CCCN(C(N)=O)CC2)cc1 69920996 AFOGQQJMOVMKBJ-UHFFFAOYSA-N 317.433 2.185 0 40 DEAB C[C@@H](CNc1nccc(C(F)(F)F)n1)N1CCOC[C@@H]1C 71900415 VNIRPRSIKQGGNG-UWVGGRQHSA-N 304.316 2.017 0 40 DEAB CC(C)c1ccc(CCC(=O)N(C)[C@H]2CCN(C)C2=O)cc1 71915313 DZIDLGKLTHCHAK-INIZCTEOSA-N 302.418 2.432 0 40 DEAB Cc1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1C 9668971 KWCXHIYKHOZLFX-HNNXBMFYSA-N 323.396 2.368 0 40 DEAB CC[C@@H](NC(=O)N1CCC[C@@H](CC(N)=O)C1)c1nc(C)cs1 84734857 YFJIMWBPDXQSLC-NWDGAFQWSA-N 324.450 2.200 0 40 DEAB Cc1cn2c(CCC(=O)NC3(C)CCOCC3)csc2n1 95434677 MYDHUDBWFMGKHX-UHFFFAOYSA-N 307.419 2.322 0 40 DEAB Cc1ccc(O)c([C@H]2NC3(CCCC3)C(=O)N2CC2CC2)n1 95408379 MDZSUGHRVSRFMI-HNNXBMFYSA-N 301.390 2.249 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCSC1CCCC1 73585271 IWEUYFMCRFXLNU-UHFFFAOYSA-N 321.402 2.230 0 40 DEAB Cc1nc(C)n(-c2ccccc2NC(=O)NCc2ccon2)n1 89258739 OYBFPOQAKDPJDB-UHFFFAOYSA-N 312.333 2.194 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2ccc(CNC(C)=O)s2)C1(C)C 75143287 OCRIWLOYUKNPLG-UONOGXRCSA-N 324.446 2.318 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)c2ccc3ccccc3c2)CCS1(=O)=O 89919982 XFEUOCNPQLZOGL-OLZOCXBDSA-N 317.410 2.487 0 40 DEAB CN(C[C@@H](O)COc1cccc2[nH]ccc12)[C@@H]1CCSC1 89935569 JRMSGXNSHUCWAL-CHWSQXEVSA-N 306.431 2.345 0 40 DEAB CC(C)(C)OC(=O)N1CCNC[C@@H]1c1ccc2c(c1)OCO2 22115969 MFINXMPWYQMSFS-GFCCVEGCSA-N 306.362 2.297 0 40 DEAB COc1cc(N2CCN(Cc3ccccc3Cl)CC2)ncn1 122680470 JJEQMQVIIJVACR-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB CO[C@@H]1CCC[C@H]([C@H](NC(=O)Cc2cccc(F)c2)C(=O)O)C1 514824019 MFUCHTUMZUQYPV-BJJXKVORSA-N 323.364 2.143 0 40 DEAB CSc1ncccc1C(=O)NC[C@]1(O)CCc2ccccc21 77179958 FCNVOVKCZIJUKS-QGZVFWFLSA-N 314.410 2.367 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC[C@@H]2CCCN(C)C2)cc1 185404217 MKWYNDLQRWKLLS-CVEARBPZSA-N 324.490 2.089 0 40 DEAB O=C(Cn1cccn1)NCCCO[C@H]1CCCc2ccccc21 70873920 APFZJSVPRXSAAR-KRWDZBQOSA-N 313.401 2.484 0 40 DEAB C[C@@H](CNc1ncccc1C(F)(F)F)N1CCN(C)CC1 78988196 JIDAPEKSELLTOE-NSHDSACASA-N 302.344 2.148 0 40 DEAB CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NCC(=O)O 79410627 KWWFLCZIOTZKAR-RYUDHWBXSA-N 300.399 2.229 0 40 DEAB O=C(Nc1ccc(-n2nccn2)cc1)NC1CCSCC1 79334936 VFZUTDUIVZAGFB-UHFFFAOYSA-N 303.391 2.284 0 40 DEAB Cc1cc(C(=O)NCCn2cnc3ccsc3c2=O)c(C)o1 225773536 ZKONZFFPFWAQEV-UHFFFAOYSA-N 317.370 2.098 0 40 DEAB CC(=O)N1CC[C@@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 570233101 PVCLVEPYICZNSH-HNNXBMFYSA-N 300.402 2.011 0 40 DEAB CCN(C(=O)c1sc(COC)nc1C)[C@@H]1CCCNCC1 576648193 LCHVUBFLGBNIQG-GFCCVEGCSA-N 311.451 2.202 0 40 DEAB Oc1cccnc1NC(=S)NCc1ccc2c(c1)OCCO2 224049922 BQNGUJUDWUMJOM-UHFFFAOYSA-N 317.370 2.045 0 40 DEAB O=C(NCc1cccnc1)C1CCN(Cc2ccccn2)CC1 199403791 QLJLRXKILGBGSV-UHFFFAOYSA-N 310.401 2.005 0 40 DEAB Cc1occc1S(=O)(=O)[C@@H](C)c1nnnn1-c1ccccc1 195577679 JRHSKYNNKBSYQH-NSHDSACASA-N 318.358 2.099 0 40 DEAB C[C@H]1CCSCCN1C(=O)NCCCOCC(F)(F)F 190999392 LXBULIQGRSOJNV-JTQLQIEISA-N 314.373 2.492 0 40 DEAB C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1cccc(CO)c1 97231044 PKTZSDFROHCWKR-RISCZKNCSA-N 302.340 2.466 0 40 DEAB Cc1nncn1CCNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl 96445314 ZJPNFCDJCWLEHT-GHMZBOCLSA-N 322.771 2.299 0 40 DEAB Cc1ccc(CN2CCC3(CC2)CN(CC2CC2)C(=O)CO3)o1 96201387 BLKLENXOVHDYKO-UHFFFAOYSA-N 318.417 2.191 0 40 DEAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN([C@@H]3CCOC3)C[C@@H]21 96183101 QSSNFRSHMCKRHT-AKHDSKFASA-N 315.461 2.403 0 40 DEAB C[C@@](NC(=O)CCc1ccco1)(C(N)=O)c1cccc(Cl)c1 96454828 DYLCDFYCFMJOQC-INIZCTEOSA-N 320.776 2.383 0 40 DEAB C[C@]1(CNC(=O)NCCOCC(F)(F)F)CCCS1 96466999 VGTBGZXVFTVQLV-SNVBAGLBSA-N 300.346 2.150 0 40 DEAB Cn1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3NCCCC[C@@H]32)n1 257200430 ADHKVSVIVSVYPH-SZMVWBNQSA-N 324.428 2.170 0 40 DEAB Cc1cncc([C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 257205897 BAZSZFZNTAOZPB-AWEZNQCLSA-N 313.405 2.074 0 40 DEAB NC(=O)CN1CCC2(CC1)CO[C@@H](Cc1ccc(Cl)cc1)C2 257265663 LZUHSKHPRSRFNE-HNNXBMFYSA-N 322.836 2.239 0 40 DEAB O=C(c1ccc2ccccc2n1)N1CCO[C@@H](c2cnccn2)C1 257290508 QDFQYYHGVYIUEV-QGZVFWFLSA-N 320.352 2.239 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257269753 MRFRUBQXNGEWPO-CYBMUJFWSA-N 317.364 2.409 0 40 DEAB O=C(NCCOc1ncccc1C(F)(F)F)N1CCCCO1 283700380 SEFANAYXUICRBH-UHFFFAOYSA-N 319.283 2.216 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Br)c(F)c1 722030717 PNEFRHXQPQEIJS-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB CO[C@@]1(COc2ccccc2)CCN(C(=O)c2cccn2C)C1 585279224 XPLZTSFNOYRIPM-SFHVURJKSA-N 314.385 2.335 0 40 DEAB CC(C)(C)CC(=O)NC1CN(c2ncnc3ccsc23)C1 1776009503 GLKHSRZZPHWGOM-UHFFFAOYSA-N 304.419 2.432 0 40 DEAB O=C([C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1)N1CCOCC1 73369008 GFPMSIFADXDHDX-CQSZACIVSA-N 324.371 2.036 0 40 DEAB O=C(NC[C@@H](O)c1ccc(Cl)s1)c1ccnc(F)c1 75269372 KRNRVUJKWBKYFV-MRVPVSSYSA-N 300.742 2.399 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C)s1)CC2 89986451 IWCPKDBMGJRZPI-UONOGXRCSA-N 309.431 2.449 0 40 DEAB O=C(N[C@@H](C(=O)O)c1ccccc1F)c1cccc2cn[nH]c12 97036453 HPWNKKWQKQXCFH-CQSZACIVSA-N 313.288 2.258 0 40 DEAB COc1ccc([C@@H]2CCN(C(=O)NC3CCOCC3)C2)cc1 195466223 SGZMDKTXDRZKCR-CQSZACIVSA-N 304.390 2.373 0 40 DEAB Cc1nc(C)c(C(=O)N2CC(C(=O)N3CCCCCC3)C2)s1 19748653 PURQRCIFKRPTRI-UHFFFAOYSA-N 321.446 2.235 0 40 DEAB Cc1cc(C)c(CNC(=O)/C=C/c2ccccc2F)c(=O)[nH]1 7118307 KCSAHUHBHADSDX-BQYQJAHWSA-N 300.333 2.460 0 40 DEAB CCOC(=O)/C=C(/OP(=O)(OCC)OCC)C(=O)OCC 16968488 WQWPBCNTRRMOLY-MDZDMXLPSA-N 324.266 2.194 0 40 DEAB COc1ccc(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c(F)c1 19285248 CWLBPYLNCWAVAS-CYBMUJFWSA-N 317.364 2.216 0 40 DEAB O=C(COc1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 19787901 LPOBNCVBSGLGFD-LZLYRXPVSA-N 314.429 2.398 0 40 DEAB Nc1nc(SCc2nc(-c3cccc(Cl)c3)no2)n[nH]1 8292569 JCUXWYWTMJSDEI-UHFFFAOYSA-N 308.754 2.383 0 40 DEAB NC(=O)c1ccccc1NC(=O)C(=O)c1c[nH]c2ccccc12 4163272 SHDBJZWJLGSQBS-UHFFFAOYSA-N 307.309 2.088 0 40 DEAB Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCCC[C@H]3C)c(O)nc12 101063710 ZFHFNTZNOGLWQN-ZYHUDNBSSA-N 315.373 2.017 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](Oc2cccnn2)C1 225408919 FBVWXEAIMDOJME-ZDUSSCGKSA-N 308.341 2.251 0 40 DEAB Cn1ccc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)n1 26349001 NUGDHFOOFPLHFR-CQSZACIVSA-N 301.346 2.230 0 40 DEAB CCc1nnsc1C(=O)N(C)Cc1nc2ccccc2[nH]1 40086687 AKIOYINCBOLMAW-UHFFFAOYSA-N 301.375 2.249 0 40 DEAB CC(C)c1noc([C@@H](C)Sc2nnnn2C[C@@H]2CCCO2)n1 40496559 AJMWZQVYQJPUTP-ZJUUUORDSA-N 324.410 2.212 0 40 DEAB CNC(=O)[C@H]1CCCCN1C(=O)COc1c(C)cc(C)cc1C 33210751 RTLVEYRLOQLYBV-OAHLLOKOSA-N 318.417 2.118 0 40 DEAB CCc1nc2sc3c(=O)n(N)cnc3c2c2c1CCCC2 503402 QCGGHFHRNHAHNP-UHFFFAOYSA-N 300.387 2.161 0 40 DEAB CN1C[C@H](C(=O)NCc2ccccc2OC2CCCC2)CC1=O 46783016 RDKJFXNZULCDHJ-CQSZACIVSA-N 316.401 2.103 0 40 DEAB CCN(CC)CCOC(=O)c1c(OC)ccc(OC)c1OC 1646546 XPRFXEVMCYKEMN-UHFFFAOYSA-N 311.378 2.211 0 40 DEAB CNC(=O)CSCc1cn(-c2ccc(F)c(Cl)c2)nn1 97083844 ZNLGCTUCZXIQLA-UHFFFAOYSA-N 314.773 2.039 0 40 DEAB O=C(CN1CCN(CCc2ccccc2)CC1)Nc1ccccc1 22915800 YJMUHRSZGAXIJC-UHFFFAOYSA-N 323.440 2.485 0 40 DEAB O=C(NCCc1cccs1)[C@@H]1CC(=O)N(C2CCCC2)C1 23483758 WZBIXOMQUZIAHW-GFCCVEGCSA-N 306.431 2.198 0 40 DEAB CCCc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1 1294415 GQEUHDGYOKGBDA-UHFFFAOYSA-N 310.423 2.222 0 40 DEAB Cc1ccccc1C1(CNC(=O)c2cnccn2)CCOCC1 55760555 BHCTUURJGRGTKR-UHFFFAOYSA-N 311.385 2.263 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2C[C@@H](C)SC(=S)N2)cc1 1409968 WUBBEHMCGUXYRH-KOLCDFICSA-N 301.458 2.495 0 40 DEAB COc1cc(CCC2CCN(CCC(N)=O)CC2)cc(OC)c1 25307385 AFAMUNGMXPSVAV-UHFFFAOYSA-N 320.433 2.224 0 40 DEAB CNC(=O)[C@@H]1CCC[C@]12CCN(Cc1ccc3c(c1)CCO3)C2 108534946 ICWKIBFULSGUCC-QFBILLFUSA-N 314.429 2.360 0 40 DEAB Cc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2CO)c(F)c1 108123694 CDXRFHDHDXPWNM-RYUDHWBXSA-N 301.383 2.058 0 40 DEAB O=C([C@@H]1COc2ccccc2C1)N1CCC[C@@H](c2ccn[nH]2)C1 72282756 YPKZQRMRXZVVIZ-CABCVRRESA-N 311.385 2.367 0 40 DEAB CC(C)(C)c1cc(CC2(N[C@H]3CC[C@@H](CO)CC3)COC2)no1 100042138 UQBOTIUWMHIONT-HDJSIYSDSA-N 322.449 2.424 0 40 DEAB biogenic,in-vitro CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(O)cc2)cc1 3230226 MWAKEWHAPKHNOR-UHFFFAOYSA-N 313.309 2.390 0 40 DEAB CCCCOC(=O)/C=C\C(=O)O[C@H](C)C(=O)OCCCC 104049831 LXPYFQGFCRRLMP-JLVNDZCYSA-N 300.351 2.161 0 40 DEAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)no1 72232370 UUZYXNARPKAXJZ-STQMWFEESA-N 317.393 2.357 0 40 DEAB CCc1[nH]ncc1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 72235712 KYJGIRLVWAURCO-ZDUSSCGKSA-N 301.394 2.263 0 40 DEAB Cc1cc(NCC(=O)NCc2ccco2)nc(-c2ccncc2)n1 57825814 LOEFPHKNFXRSMD-UHFFFAOYSA-N 323.356 2.168 0 40 DEAB CCN(C)[C@@H](C(=O)NCc1cccnc1OC)c1ccccc1 57829714 BSLIHPIXCBENEC-MRXNPFEDSA-N 313.401 2.399 0 40 DEAB Cn1ccnc1CCNc1ncnc2c1cnn2-c1ccccc1 58002970 CDFICDMRYKHVDD-UHFFFAOYSA-N 319.372 2.204 0 40 DEAB CN(C)[C@@H](CNC(=O)NCc1ccccn1)c1cccs1 44889755 YQOKQMLHLUIRIU-ZDUSSCGKSA-N 304.419 2.245 0 40 DEAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)C(=O)NCc1ccco1 58283173 BDNKLDRYRBGSLJ-NSHDSACASA-N 319.361 2.134 0 40 DEAB O=C(OCCc1cccs1)c1ccc(-n2cnnn2)cc1 58264942 RZKJHQROIKULPE-UHFFFAOYSA-N 300.343 2.123 0 40 DEAB O=C1CC[C@@H](C(=O)Nc2nc(-c3cccc(F)c3)cs2)CN1 48289037 BBZIDDPESCJUHS-SNVBAGLBSA-N 319.361 2.414 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@@H]1Cn1cccn1 72233939 HTBWZUIVBAXIFA-LLVKDONJSA-N 308.769 2.067 0 40 DEAB C[C@H](OC[C@H](O)CNC(=O)Nc1nccs1)c1ccccc1 44970415 GJFMXKJKUARBQJ-WCQYABFASA-N 321.402 2.403 0 40 DEAB COC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 44969986 ZIWWMJNMWALYOY-VHSXEESVSA-N 308.403 2.226 0 40 DEAB CN(C)c1ccc(CNC(=O)N2CCc3ccccc3C2)cn1 44914786 UYXJBENRQYUXRD-UHFFFAOYSA-N 310.401 2.416 0 40 DEAB Cc1cc(NC(=O)CNC(=O)C(C)C)ccc1Br 58344897 QKVLLRGXIZXGAA-UHFFFAOYSA-N 313.195 2.468 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)N2CCC[C@@H](C)C2)c1 72274336 PKZRIMCDIMGYIA-CYBMUJFWSA-N 319.405 2.465 0 40 DEAB COC[C@H](O)CN(C)C(=O)Cc1cc(Cl)ccc1Cl 87452246 NLCQTXHBBVFDPF-LLVKDONJSA-N 306.189 2.002 0 40 DEAB CCc1nnsc1C(=O)NCc1nc(-c2cccs2)no1 58419727 ODCLZSXEHYVMHE-UHFFFAOYSA-N 321.387 2.142 0 40 DEAB O=C(Nc1nc(Cc2ccccc2)cs1)c1ccc(O)nn1 97107769 PFWODAQKCKIMKD-UHFFFAOYSA-N 312.354 2.482 0 40 DEAB Cc1c(CS(C)(=O)=O)cccc1NCc1nc(C2CC2)n[nH]1 97164982 SDYSFSIBEDIYOJ-UHFFFAOYSA-N 320.418 2.147 0 40 DEAB CC(C)OCCCNC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 58591358 QNEGNYYNZQEFBU-KRWDZBQOSA-N 305.374 2.090 0 40 DEAB C[C@H](CCn1cccn1)Nc1ccc(NS(C)(=O)=O)cc1 97234745 VLOWZPZICIDCKU-GFCCVEGCSA-N 308.407 2.145 0 40 DEAB CCOc1ccc([C@@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)cc1 29773855 DHBKGFKDRHWGJI-MLGOLLRUSA-N 306.406 2.423 0 40 DEAB FC(F)(F)c1ccnc(N2CCC[C@@H](C3OCCO3)C2)n1 60362963 MODDXVXMXNOVCU-SECBINFHSA-N 303.284 2.085 0 40 DEAB CCOc1ncccc1C(=O)Nc1nc2c(s1)CN(C)CC2 12897200 DFBYHRBNBFDSMJ-UHFFFAOYSA-N 318.402 2.177 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2nc(C)no2)c2c(C)noc2n1 64315978 ZVPFEWUFUWXDDA-QMMMGPOBSA-N 301.306 2.022 0 40 DEAB COc1ccc(C)cc1NC(=O)CCNC(=O)c1ccco1 3452402 MBADUFRPHFCBDB-UHFFFAOYSA-N 302.330 2.355 0 40 DEAB CCC(CC)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3505930 YLZJVKKKQMSPHD-UHFFFAOYSA-N 324.446 2.390 0 40 DEAB O=S1(=O)CCN(Cc2cccc(OC3CCCC3)c2)CC1 93047535 SQHPRQFCTHXKDL-UHFFFAOYSA-N 309.431 2.238 0 40 DEAB CC(C)N[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCO3)C1 63991155 FECNMPAXHFTOIH-CQSZACIVSA-N 319.405 2.087 0 40 DEAB CNC(=O)[C@H]1CN(Cc2ccnc(Cl)c2)c2ccccc2O1 65587653 HMVCODOYEROJAX-CQSZACIVSA-N 317.776 2.249 0 40 DEAB C[C@@H](CCN1CCCC1=O)NCc1cccc2c1OCCCO2 95395128 DYXHSLDBQBDYRD-AWEZNQCLSA-N 318.417 2.339 0 40 DEAB Cc1n[nH]c(C)c1SCC(=O)Nc1ccc2c(c1)OCO2 14230723 DQYLGYDNHHLZAW-UHFFFAOYSA-N 305.359 2.486 0 40 DEAB Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1ccccc1 4936039 IKFGXTBMOWANLG-UHFFFAOYSA-N 323.400 2.033 0 40 DEAB CC(C)(C)N1C[C@H](N[C@H](Cc2ccccn2)C2CC2)CC1=O 90178367 GVMGGDUDBXZOKT-HZPDHXFCSA-N 301.434 2.392 0 40 DEAB CN1CCN(C(=S)NC(=O)/C=C/c2ccccc2Cl)CC1 19860656 IQNSPTIEZRKVRA-VOTSOKGWSA-N 323.849 2.002 0 40 DEAB C[C@H](CCNC(=O)N[C@H]1CCC(=O)N(C)C1)c1ccccc1 96415370 IQVPYUPLHRZUQD-HIFRSBDPSA-N 303.406 2.100 0 40 DEAB C[C@H](C(=O)N1CCCCC1)N1CCC(N2CCCCC2)CC1 26439432 NFYDAMWQHAUDID-MRXNPFEDSA-N 307.482 2.338 0 40 DEAB Cn1cnc2c1CCN(Cc1nc(-c3ccsc3)no1)C2 71878974 PLRCCVPCJUCBEY-UHFFFAOYSA-N 301.375 2.090 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3Cn3cccn3)cn12 71866276 PAOYCPHORFFZTH-CQSZACIVSA-N 309.373 2.144 0 40 DEAB O=S1(=O)CC[C@H](CNCc2ccc(Cl)c3cccnc23)C1 95415403 HSTOPCDDMMTPFB-LLVKDONJSA-N 324.833 2.413 0 40 DEAB COc1cccc(CS[C@@H](C)C(=O)NC(=O)NC2CC2)c1 69485627 QLKGSTYRGDUTGT-JTQLQIEISA-N 308.403 2.305 0 40 DEAB CC[C@H](CCNC(=O)c1cccc(N(C)C)c1)N1CCCC1=O 69453143 LBTBLIWEWFSVIY-OAHLLOKOSA-N 317.433 2.274 0 40 DEAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1cn[nH]c1C 69538319 ASHUURRLAIIPHQ-UHFFFAOYSA-N 303.362 2.398 0 40 DEAB O=C(c1ccco1)N1CC2(CCNCC2)C[C@@H]1COCC1CC1 306144928 ZSJRACYPZXXOAQ-OAHLLOKOSA-N 318.417 2.291 0 40 DEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H](C)[C@@H](O)C1 95454206 FSCNXBDFYQVDTA-BONVTDFDSA-N 319.792 2.287 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1Cn1cccn1 69813517 KBXARWJCLNARSW-CQSZACIVSA-N 302.378 2.112 0 40 DEAB CC(C)(C)[C@H](O)CN1CCN(C(=O)CCc2cccs2)CC1 69951168 FQANKKWQIIUHNC-OAHLLOKOSA-N 324.490 2.232 0 40 DEAB C[C@@H](C(=O)O)N(C)Cc1nn(-c2ccc(F)cc2)c2c1CCC2 95428061 CPOALGPKDPSTFG-NSHDSACASA-N 317.364 2.405 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 74195047 URQBTMCEFVTTNO-CQSZACIVSA-N 317.433 2.159 0 40 DEAB C[C@H](NC(=O)COc1ccccc1)[C@@H](O)c1ccc(F)cc1 89598507 PVEJVYXGLHELFT-YVEFUNNKSA-N 303.333 2.443 0 40 DEAB Cc1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1F 75122356 QTBGJEIDNHLUAE-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB Cc1nc(C[C@@H]2CCCN(CC(=O)N3CCCC[C@@H]3C)C2)no1 89718257 KWWIEEVMGOSSCZ-ZFWWWQNUSA-N 320.437 2.034 0 40 DEAB O=C(OCc1ccsc1)C1CCN(c2cnccn2)CC1 76094480 AFTVYAARTXGGBR-UHFFFAOYSA-N 303.387 2.498 0 40 DEAB CCN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C)c1nc(C)cs1 76092838 PRWGVYIIAKVNCY-UHFFFAOYSA-N 316.386 2.298 0 40 DEAB NC(=O)CCN1CCO[C@@H](c2nc(-c3ccccc3)cs2)C1 65463388 RFANJLOMGCUNSN-CQSZACIVSA-N 317.414 2.059 0 40 DEAB CCNc1nc(C(N)=O)c(NC(=O)c2ccc(F)cc2)s1 36614791 VUDMQLXRRDGNGG-UHFFFAOYSA-N 308.338 2.065 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CCCC3)CC1 129126197 VYGZZNPZXWKQIZ-UHFFFAOYSA-N 318.421 2.413 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCN(CC(=O)O)C1 79410666 WPRFKRLNBXCATR-LBPRGKRZSA-N 300.399 2.181 0 40 DEAB CNC(=O)CCc1cc(C2CCN(C(C)C)CC2)nc(C)n1 72366394 AFLNQYHVHLHRQW-UHFFFAOYSA-N 304.438 2.051 0 40 DEAB COC[C@](C)(O)CNC(=O)Nc1ccc(C(F)(F)F)cc1 69916324 RYNQAXGYIAPRCG-GFCCVEGCSA-N 306.284 2.224 0 40 DEAB Cc1nn(C[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1Cl 32648261 YJYHBWCGIWENIS-GARJFASQSA-N 313.829 2.425 0 40 DEAB Cc1ncc2c(n1)CCC[C@@H]2NS(=O)(=O)c1ccc(F)cc1 72242690 PJAPELJEKKULFJ-HNNXBMFYSA-N 321.377 2.280 0 40 DEAB NC(=O)c1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 71761454 YSNNTTUAKVBTLM-UHFFFAOYSA-N 315.354 2.323 0 40 DEAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N[C@@H]1CCCc2c1cnn2C 71195555 IJSSMNJDBAEMSJ-GXFFZTMASA-N 321.812 2.100 0 40 DEAB Cc1cncc([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 72369415 RAQFAOUVPPWCKG-LBPRGKRZSA-N 323.443 2.415 0 40 DEAB N[C@@H](C(=O)N1CCO[C@H](Cc2ccccc2)C1)c1ccccc1 195555093 MWEZGPPSRLNPPU-QZTJIDSGSA-N 310.397 2.157 0 40 DEAB CCC[C@H](N)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 195543794 QVCXPZIJHXGQSC-YOEHRIQHSA-N 319.449 2.028 0 40 DEAB Cc1cccn2cc(CNC(=O)CCC(=O)OC(C)(C)C)nc12 192418455 HQBKVODAONBNFN-UHFFFAOYSA-N 317.389 2.381 0 40 DEAB CCOC(=O)CC1CCN(Cc2nc3c(C)ccnc3[nH]2)CC1 195572028 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c1ccc(N2CC[C@@]3(COCCN(Cc4ccco4)C3)C2)nc1 96202235 REUOVTPDNSACGC-SFHVURJKSA-N 313.401 2.404 0 40 DEAB Cc1cc(NCCOCCS(C)(=O)=O)nc2ccccc12 96429661 GCHRCFJINCEVMD-UHFFFAOYSA-N 308.403 2.016 0 40 DEAB O=C(O)C[C@@H](NC(=O)c1ccnc(C2CC2)n1)c1cccs1 604930261 XBPHZAPIIPRNBH-LLVKDONJSA-N 317.370 2.361 0 40 DEAB Cc1cnc(CNC(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)o1 252479995 BRIPOVHWIRGSAX-GFCCVEGCSA-N 321.283 2.071 0 40 DEAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cc(C)on3)C2)c1 257314516 UXIKZEMYJNXZHZ-GFCCVEGCSA-N 300.362 2.358 0 40 DEAB O=C(C1CC1)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 25169085 JULRAIACVVXQAJ-JKSUJKDBSA-N 316.376 2.010 0 40 DEAB CC(=O)N1CC[C@H](c2cc(Nc3nccs3)nc(C)n2)C1 257256041 KJWCBMWAHZOERV-NSHDSACASA-N 303.391 2.321 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1ccc2[nH]nnc2c1 257230638 GDELGLGDPJWAOD-CQSZACIVSA-N 310.361 2.357 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1=O 55864290 YFUZEHJMCYYXES-UKRRQHHQSA-N 304.365 2.358 0 40 DEAB CCCC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 61313061 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COC(=O)CCSc1nnc(-c2ccc(OC)c(OC)c2)o1 7139792 TXIGBYPSKJJQRI-UHFFFAOYSA-N 324.358 2.409 0 40 DEAB O=C(CC1CC1)N1CCC(COc2ccc3nccn3n2)CC1 1888850101 NYDWUGVMQDBQMZ-UHFFFAOYSA-N 314.389 2.147 0 40 DEAB CC(C)n1nnnc1S[C@H](C)C(=O)NCCc1ccccc1 16453685 NHDAAAAMFYALIR-GFCCVEGCSA-N 319.434 2.094 0 40 DEAB O=C(NC[C@@](O)(c1ccccc1)C1CCOCC1)c1ccco1 575612915 OOGXNRSEYSZPNJ-GOSISDBHSA-N 315.369 2.324 0 40 DEAB COC(=O)c1ccc(C(=O)NCc2cc(C3CC3)ncn2)cc1 585360812 RYTYDIROHRQYCX-UHFFFAOYSA-N 311.341 2.071 0 40 DEAB COC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 40488882 IBFAJPKMTYRYKS-JTQLQIEISA-N 304.394 2.165 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)c2cc(Cl)c[nH]2)C[C@H](C)O1 21061200 MTZRIPGSHCJTCZ-QWRGUYRKSA-N 313.829 2.286 0 40 DEAB C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCCn2cccn2)cc1 52765841 FIZIBBJNRJVKRA-SWLSCSKDSA-N 313.357 2.335 0 40 DEAB O=C1NCCN1[C@H]1CCCN(c2ccc3ccc(F)cc3n2)C1 84383501 LRLIOCXWFRTJET-AWEZNQCLSA-N 314.364 2.368 0 40 DEAB CCn1c(C)nnc1SCC(=O)Nc1ccccc1OC 421177 VRIYVAKHYRVXOU-UHFFFAOYSA-N 306.391 2.346 0 40 DEAB Cn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1 779122 OHXAJMGXQQCFKI-UHFFFAOYSA-N 304.419 2.489 0 40 DEAB O=C(NCc1ccccn1)c1cn(-c2cccc(Cl)c2)nn1 12274701 ZTMFIMAFUFTFMN-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB O=C(Oc1ccccc1)N1CCN(CCN2CCCCC2)CC1 77270334 SFCOKNCHHYWVSQ-UHFFFAOYSA-N 317.433 2.289 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@H]3CCC[C@H]32)c(OC)c1 53372567 SHGQJXSYXYMDFX-CABCVRRESA-N 305.374 2.026 0 40 DEAB O=C1C[C@@H](c2ccccc2)N(Cc2noc(C3CC3)n2)CCN1 53616402 QUMRVADSBIEGIO-AWEZNQCLSA-N 312.373 2.010 0 40 DEAB CC(=O)c1cc2c(cc1NC(=O)c1c(C)noc1C)OCO2 7717348 KPUFWJKEEIQKQL-UHFFFAOYSA-N 302.286 2.475 0 40 DEAB COc1ccc(-c2nnc(NC(=O)c3ccon3)s2)cc1 95447485 FXEGHZQEIVPQJW-UHFFFAOYSA-N 302.315 2.454 0 40 DEAB Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1 8321275 ARHFFPFTPBWDBL-ZDUSSCGKSA-N 318.398 2.301 0 40 DEAB CCCc1nc(C)c(C(=O)N[C@@H](C(N)=O)c2ccccc2)s1 42876694 RAWRFWDONIUSLE-CYBMUJFWSA-N 317.414 2.360 0 40 DEAB Cn1c(S)nnc1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 106869693 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DEAB CCOC(=O)[C@@](NC(C)=O)(Nc1ccccc1F)C(F)(F)F 2322675 FVNOZGAIZMSDQI-GFCCVEGCSA-N 322.258 2.195 0 40 DEAB Cc1nn2c(=O)cc(CN[C@H](C)c3cccc(F)c3)nc2s1 48367190 JDGFURXEZCZXMA-SECBINFHSA-N 318.377 2.449 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)NCC2CCCCC2)cc1 3453388 UHTIQEOOOCEKDW-UHFFFAOYSA-N 324.446 2.181 0 40 DEAB CCCc1nc(NC(=O)CN2CSCC2=O)sc1CC 48748985 DOMSADCAGBQVGN-UHFFFAOYSA-N 313.448 2.129 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1cnccn1)c1ccccc1Cl 8945923 QBZHNGGKLOZFBV-GFCCVEGCSA-N 319.748 2.164 0 40 DEAB Cc1cc(C(=O)O)cc(S(=O)(=O)N2CCC(C)CC2)c1C 4206507 LETYSSRRWOHJQM-UHFFFAOYSA-N 311.403 2.422 0 40 DEAB CC(=O)N[C@H](CC(=O)NCc1cc(C)no1)c1ccc(C)cc1 65474881 QKRAEVKIADCOIH-MRXNPFEDSA-N 315.373 2.175 0 40 DEAB Cc1oc(-c2cccs2)nc1CC(=O)NC(C)(C)C(=O)O 65422280 MLVZEIKFQUGVNY-UHFFFAOYSA-N 308.359 2.233 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)c(=O)[nH]1 65553386 VRWOTNPSNFLEFC-ZBFHGGJFSA-N 311.385 2.347 0 40 DEAB CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1 14180533 GKKSERFKJOPXOL-UHFFFAOYSA-N 312.325 2.417 0 40 DEAB CONC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 14199979 JCYQBLCWZAAUFD-UHFFFAOYSA-N 306.318 2.170 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CCCC1 5443794 GLDBAMYMVFVHNH-UHFFFAOYSA-N 310.419 2.374 0 40 DEAB CCC1(C)CC(=O)N(CC(=O)Nc2ccc(F)cc2)C(=O)C1 6590126 WCZRSGLSSJOKPN-UHFFFAOYSA-N 306.337 2.330 0 40 DEAB COC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCC3 5570932 QGRXBHQIPZWFQA-SSDOTTSWSA-N 324.427 2.137 0 40 DEAB C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccc2oc(=O)[nH]c2c1 66313008 ONWMPGZHGMEESY-CMPLNLGQSA-N 320.345 2.034 0 40 DEAB CCO[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3c2cnn3C)C1 67603104 UUCDWFONOUBXAT-TZMCWYRMSA-N 306.410 2.008 0 40 DEAB COc1ccc(NC(=O)c2cccc(-n3cccn3)n2)c(C)n1 96470620 ZOLIMKYBWJDTJG-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB COc1ccc(OCc2nnnn2-c2ccc(F)cc2)cc1 9340366 BODDGKIJSSCPTA-UHFFFAOYSA-N 300.293 2.389 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2Cc2nc(-c3ccoc3)no2)c1 70038463 DEPGBNRJEWELEL-AWEZNQCLSA-N 313.361 2.499 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1 70007059 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CO[C@]1(COc2ccccc2C)CCN(Cc2ncc[nH]2)C1 585274908 REGJVAYYWXUNPJ-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB c1coc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)c1 69528797 SROGSLIFRYXWSK-CYBMUJFWSA-N 302.378 2.294 0 40 DEAB O=C(N[C@@]1(C(=O)O)CCSC1)c1cc(Cl)c(Cl)[nH]1 43508549 BYVNHONFDUKKNA-JTQLQIEISA-N 309.174 2.012 0 40 DEAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)c(Cl)c1)S(C)(=O)=O 48927321 NLNNIGDRLYDJJQ-SFYZADRCSA-N 307.774 2.089 0 40 DEAB CC(C)c1nc(CN(C)C[C@H]2COc3ccccc3O2)no1 53603262 NWTPYDXYEXKBFF-LBPRGKRZSA-N 303.362 2.465 0 40 DEAB COCCCNC(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O 75117706 YYMIVCWGOOVHFL-UHFFFAOYSA-N 300.358 2.117 0 40 DEAB CCCN(CCN(C)C)C(=O)c1occc1Br 89958900 FCHROLJVIBSTNN-UHFFFAOYSA-N 303.200 2.456 0 40 DEAB COCC1(C)CCN(S(=O)(=O)c2ccc(F)cc2)CC1 95459499 CBNMUPNDPQTEFS-UHFFFAOYSA-N 301.383 2.263 0 40 DEAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccccn1 12276219 VQDWKCMDXYAJPF-CQSZACIVSA-N 322.368 2.000 0 40 DEAB OC/C(Cc1cccc(O)c1)=C(/CO)Cc1cccc(O)c1 5496522 HVNGKDBYVICKKU-FOCLMDBBSA-N 300.354 2.164 0 40 DEAB CCOCC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 8959386 JTKDZBXHWQIWHI-UHFFFAOYSA-N 306.362 2.043 0 40 DEAB Cc1cncnc1N1CCN(Cc2cc(F)cc(F)c2)CC1 1849230528 YVRVWSLRWNFBFZ-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB Cn1c(=O)c(C(=O)Nc2cc(F)ccc2F)cc2cccnc21 5303667 PUWPIIYNRSUPPI-UHFFFAOYSA-N 315.279 2.464 0 40 DEAB Fc1ccc(-c2ccc(NCCCN3CCOCC3)nn2)cc1 20719767 GEKHXFWCKLWGRM-UHFFFAOYSA-N 316.380 2.417 0 40 DEAB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1C(=O)Nc1nccs1 101625436 QCFDNVDPDDSKBK-LBPRGKRZSA-N 314.370 2.116 0 40 DEAB O=C(c1c[nH]c2ccc(Cl)cc2c1=O)N1CCSCC1 21730371 UOXISSNPWRBRQP-UHFFFAOYSA-N 308.790 2.371 0 40 DEAB CCc1c(C(=O)NC[C@@H]2CCOC2)cnn1-c1ccc(F)cc1 41366901 FRMQNSQTDWTPRD-LBPRGKRZSA-N 317.364 2.340 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 2787289 DJMLWGQNKIIYBC-UHFFFAOYSA-N 315.283 2.257 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)c3sc(C)cc3OC)c12 79015420 ADDDMSZWFRWWPY-UHFFFAOYSA-N 319.390 2.490 0 40 DEAB CC(C)(C)[C@H](COc1ccccc1F)NC(=O)[C@@H]1CCC(=O)N1 79001998 OYKQRCGVHWQTJZ-JSGCOSHPSA-N 322.380 2.014 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cccc(Cl)c1 79247470 RNKNCEGKDXKJOS-FPUUUQIFSA-N 306.793 2.466 0 40 DEAB Cc1ccc(CSc2nn3c(=O)c(C)nnc3s2)cc1 4338861 ODUDHECQJMUBAK-UHFFFAOYSA-N 304.400 2.455 0 40 DEAB COc1cc(C(=O)Nc2ccccc2CO)cc(OC)c1OC 6735707 PCLCEEGYRMCYFQ-UHFFFAOYSA-N 317.341 2.457 0 40 DEAB Cc1cc(C(=S)N2CCC(C(N)=O)CC2)c(C)n1C1CC1 8334215 LEMNDVIXALOSQX-UHFFFAOYSA-N 305.447 2.313 0 40 DEAB CSc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(N)n1 57478001 DKJJPAFQMVJSCQ-UHFFFAOYSA-N 315.807 2.267 0 40 DEAB O=C(NCCOC[C@@H]1CCCO1)N1CCC[C@H](C(F)(F)F)C1 72286316 FKBLKUMJSHMRME-RYUDHWBXSA-N 324.343 2.166 0 40 DEAB CCCCS(=O)(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 72296365 CCPWUUPSPIELSC-CYBMUJFWSA-N 322.434 2.390 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)N1CCSCC1 43166994 HDYFNZGDRUKLAS-ZDUSSCGKSA-N 309.435 2.175 0 40 DEAB O=C1S/C(=C/c2ccc(F)cc2)C(=O)N1CN1CCOCC1 27471617 PPZSPQYXFWAOCO-UKTHLTGXSA-N 322.361 2.152 0 40 DEAB COC(=O)c1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)cc1 24998195 SNKIPNYLTUZFMB-SNVBAGLBSA-N 301.346 2.006 0 40 DEAB COCCCNC(=O)COCc1cc(-c2ccc(F)cc2)on1 9436309 LYENISDRPSHFAI-UHFFFAOYSA-N 322.336 2.150 0 40 DEAB Cc1cccc(OCCNS(=O)(=O)Cc2ccccc2)c1 52782267 LCXHBMNGUATDMB-UHFFFAOYSA-N 305.399 2.493 0 40 DEAB Cc1cnc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cn1 25917821 JWGBYHFVIMATIF-CYBMUJFWSA-N 322.372 2.199 0 40 DEAB CC(C)CNC(=O)Nc1ccc(CCN2CCOCC2)cc1 56762760 RBRKGEUMHSFYCI-UHFFFAOYSA-N 305.422 2.339 0 40 DEAB Cc1cc(CN2CCN(c3cnc4ccccc4n3)CC2)on1 26137815 BDSVDICYFRMBKR-UHFFFAOYSA-N 309.373 2.248 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)N(C)C(=O)[C@H](C)O2 61997267 ZOUMAFLUAFAUOB-JTQLQIEISA-N 315.329 2.287 0 40 DEAB O=C(c1ccc[nH]1)N1CCCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)CC1 108073617 ADOOAFAEKOMTCR-KKUMJFAQSA-N 315.417 2.125 0 40 DEAB COc1cccc([C@H](O)CN2CCC[C@@H]2c2noc(C)n2)c1 108081312 JMCPWCSQUFUVKG-HUUCEWRRSA-N 303.362 2.257 0 40 DEAB CC(C)c1cc(C(=O)NCCn2ccnc2)nn1C(C)(C)C 44326753 DCKLMKUDKOQBSU-UHFFFAOYSA-N 303.410 2.388 0 40 DEAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 95408047 HMLXXHAAPVWQLL-RYYBZQDPSA-N 324.856 2.384 0 40 DEAB O=C(Nc1nc[nH]n1)[C@H]1C[C@@H]1c1cccc(Br)c1 58267558 CWIPFLJLGRXWRW-ZJUUUORDSA-N 307.151 2.309 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]([C@@H](C)O)C1 97107851 LNRHGAWESRCZCF-GHMZBOCLSA-N 312.797 2.261 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccn(Cc2ccccc2)n1 44973472 JJFFXOBQZZQMQX-AWEZNQCLSA-N 324.388 2.338 0 40 DEAB C[C@@H](NC(=O)c1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCO1 27907506 RPONKIKCKVFMCR-IAQYHMDHSA-N 303.337 2.309 0 40 DEAB O=C(O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 3340135 ITCFXJKCRFRSOG-UHFFFAOYSA-N 323.414 2.051 0 40 DEAB O=C(NCc1ccc(OCc2cccnc2)cc1)[C@H]1CCCO1 36391908 UHMSFTGFRUNTDG-QGZVFWFLSA-N 312.369 2.456 0 40 DEAB CCNC(=O)C1CCN(Cc2nc(-c3ccsc3)no2)CC1 28970995 VNAIBLSLNWGVTG-UHFFFAOYSA-N 320.418 2.146 0 40 DEAB O=C(NCc1ccoc1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 45835964 YDQPCHXVXFCDKQ-INIZCTEOSA-N 324.380 2.438 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cscc1C)CC2 95407997 YJYMEQQFOGJHQH-KGLIPLIRSA-N 309.431 2.449 0 40 DEAB CNC(=O)c1ccc(Cl)c(NC(=O)NCc2ccccn2)c1 48505394 UGNVHVZUDAXAJQ-UHFFFAOYSA-N 318.764 2.416 0 40 DEAB C[C@@H]1CN(C(=O)COC(=O)c2cccc(Cl)c2)C[C@@H](C)O1 3530449 PMMWKSCNGYEXKN-GHMZBOCLSA-N 311.765 2.133 0 40 DEAB CCCCN1C(=O)C[C@H](C(=O)NOC)[C@H]1c1ccc(OC)cc1 23041224 BFIVZEAOBOPVRF-GOEBONIOSA-N 320.389 2.063 0 40 DEAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC(=O)NC1CC1 13012024 YWYQBJSJXCUCHT-VIFPVBQESA-N 312.822 2.215 0 40 DEAB CCCn1c(SCc2cnn(-c3ccccc3)c2)n[nH]c1=O 9053072 GAQCBWDHTMICIY-UHFFFAOYSA-N 315.402 2.459 0 40 DEAB NC(=O)CC1CCN(C(=O)Cc2c(F)cccc2Cl)CC1 49395648 MMRMJYPJMGESNU-UHFFFAOYSA-N 312.772 2.136 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)c3ccc[nH]3)C[C@@H]21 97374357 OBYLBHGPJYJSFX-FRRDWIJNSA-N 319.405 2.390 0 40 DEAB COc1ccccc1N1C[C@H](C(=O)Nc2nccs2)CC1=O 6646794 QGNDPRSWEPWVEL-SNVBAGLBSA-N 317.370 2.143 0 40 DEAB Cc1c(C(=O)N2CCOCC2)cnn1-c1ccc(Cl)cc1 6774096 VTKASKVVAOTZAB-UHFFFAOYSA-N 305.765 2.307 0 40 DEAB Cc1cc([C@@H]2CCCN(CC(=O)N[C@@H](C)c3ccco3)C2)n[nH]1 84110912 ZEKWOIOQEVTELG-UONOGXRCSA-N 316.405 2.368 0 40 DEAB Cn1ccnc1-c1ccc(NC[C@H]2COc3ccccc3O2)nn1 67675752 FJSUPHWOAQPWOT-LBPRGKRZSA-N 323.356 2.129 0 40 DEAB CON(C)C(=O)C1CCN(C(=O)Nc2cccc(C)c2)CC1 68062916 SAURTVOQGDRUBF-UHFFFAOYSA-N 305.378 2.259 0 40 DEAB CCc1ccc(C(=O)NCCc2nc(C(=O)O)cs2)cc1 90940430 NNJNBSKNRZKMHX-UHFFFAOYSA-N 304.371 2.376 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CCc1ccsc1 8232983 MWQKYXAUFHIEMR-OAHLLOKOSA-N 314.410 2.120 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1ccc(Cl)cc1 71830116 HFQUPNWRWNDCRR-NEPJUHHUSA-N 324.808 2.221 0 40 DEAB Cc1nnc2n1CCN(C(=O)c1cc3c(s1)CC[C@H](C)C3)C2 69458865 ZBKJGQHXJIOAOA-JTQLQIEISA-N 316.430 2.429 0 40 DEAB C/C=C/C=C/C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 69409245 URNCCLCICSDVTF-DWHXMNLGSA-N 318.392 2.448 0 40 DEAB CCOc1ccc(NC(=O)N2CCCN(C(=O)OC)CC2)cc1 69569298 DASCAGPRFHVUES-UHFFFAOYSA-N 321.377 2.391 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1ccc(-n2cccc2)cc1O 69696453 YFEVRMVGIZLTEU-UHFFFAOYSA-N 310.357 2.189 0 40 DEAB C[C@@H](c1nc(C2CC2)no1)N1CCCC[C@@H]1Cn1cncn1 71876404 NMBICOCNXNKKKV-WCQYABFASA-N 302.382 2.154 0 40 DEAB Cc1cccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)n1 71908157 HLCZURBMOCQYTG-HNNXBMFYSA-N 310.401 2.304 0 40 DEAB O=C(NCCCOC[C@H]1CCOC1)[C@H]1Cc2ccccc2S1 71920707 YTHBORDHAQCSRA-CZUORRHYSA-N 321.442 2.263 0 40 DEAB O=C(NCC[C@@H]1CCCO1)c1ccc(-n2cccn2)c(F)c1 69817223 JMSOKVNYKMVRJE-ZDUSSCGKSA-N 303.337 2.310 0 40 DEAB O=C(NCCCCNc1ccccn1)[C@@H]1Cc2ccccc2O1 69816508 SOPFMNMIYPCXQI-INIZCTEOSA-N 311.385 2.394 0 40 DEAB Cc1cc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2)no1 72270190 XSUGPNCHHUUQEL-ZDUSSCGKSA-N 300.362 2.061 0 40 DEAB C[C@@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)O)c1 95976733 RWMGJUBHXFJITR-LBPRGKRZSA-N 300.358 2.474 0 40 DEAB CNC(=O)c1cccc(CN2CCC[C@H]2c2noc(C)n2)c1 75611810 AXQAPACQPSSKTB-AWEZNQCLSA-N 300.362 2.075 0 40 DEAB CN(C)C(=O)N1CC2(C[C@H](CCOc3ccccn3)CCO2)C1 306129753 ILSZTPYKIYVZMA-CQSZACIVSA-N 319.405 2.013 0 40 DEAB Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)n1cncn1 189842106 BPQLDWXLOXWNRM-SNVBAGLBSA-N 312.295 2.483 0 40 DEAB CC(C)(C)C1CCC(CC(=O)NS(=O)(=O)C2COC2)CC1 408481543 YNGLCKJBEZCMEG-UHFFFAOYSA-N 317.451 2.074 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc(C2CC2)on1 31354598 VZEVGPNKCYLWNA-UHFFFAOYSA-N 314.341 2.296 0 40 DEAB CC(C)(C)NC[C@H](O)COc1cc(C(=O)O)ccc1Cl 33506647 QNYWJTMYNAJZTQ-JTQLQIEISA-N 301.770 2.166 0 40 DEAB in-vitro COC(=O)[C@@H]1CC[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)O1 189153719 YQJHINJWZSEHQT-QWRGUYRKSA-N 310.256 2.408 0 40 DEAB O=C(c1ccccc1O)N1CCN(CC(F)(F)C(F)F)CC1 79349769 IJMMTMFIMNKFCJ-UHFFFAOYSA-N 320.286 2.050 0 40 DEAB O=C(NCc1nncn1C1CC1)c1cc2c(cc1O)CCCC2 79306102 YESSQJGDFJBSMI-UHFFFAOYSA-N 312.373 2.127 0 40 DEAB CC[C@](CNC(=O)[C@@H]1O[C@H](C)C[C@@H]1C)(C(=O)O)c1ccccc1 563201693 YSEGCPIYJSFOBB-YRWGSWDYSA-N 319.401 2.349 0 40 DEAB CN(C)C[C@H]1CCCN1c1cc(-c2ccccc2)nc2ncnn12 79096125 ATYRULJCVFQAEB-OAHLLOKOSA-N 322.416 2.322 0 40 DEAB C[C@H]1CN(c2cncc(N3CCS[C@H](C)C3)n2)CCS1 225540092 QGKNPOUTECEXNT-TXEJJXNPSA-N 310.492 2.360 0 40 DEAB O=C(/N=c1\[nH]nc(-c2ccco2)[nH]1)N1CCc2ccccc2C1 48121639 ANXWYHDYXSMRDX-UHFFFAOYSA-N 309.329 2.077 0 40 DEAB COc1c(CN2CCC(n3cc(Cl)cn3)CC2)c(C)nn1C 195556575 QJWQZPWIAXMWIM-UHFFFAOYSA-N 323.828 2.424 0 40 DEAB CS(=O)(=O)N1CCC(N[C@@H]2CCCCc3ccccc32)CC1 96402312 KCVNFVBKTFDRHU-QGZVFWFLSA-N 322.474 2.468 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3Cc2ccncc2)o1 96055678 PRZSEWFIOYMRHM-DLBZAZTESA-N 311.385 2.358 0 40 DEAB CCn1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)O)cn1 97228685 JAZIFBZKSGOOGU-FZMZJTMJSA-N 301.346 2.095 0 40 DEAB Cc1ccc(-c2cnc(Cn3cnnc3[S@](C)=O)o2)cc1 96430183 MVQPBDMSNXYUNJ-OAQYLSRUSA-N 302.359 2.027 0 40 DEAB Cc1ccc([C@H]2C[C@@H]2C(=O)NCCc2nncn2C2CC2)s1 96405465 GRLHMTWGAFNHNN-STQMWFEESA-N 316.430 2.445 0 40 DEAB COc1cccc(NC(=O)CCN2CCO[C@H]3CCC[C@@H]32)c1 96443352 DQYRTCMZTAZOPA-HOTGVXAUSA-N 304.390 2.277 0 40 DEAB CC(C)[C@@H]1SCC(=O)Nc2c1c(O)nn2C1CCOCC1 96117893 UKRNPWLAVLDKML-LBPRGKRZSA-N 311.407 2.323 0 40 DEAB CN(C)CC[C@@H]1CN(C(=O)Cc2cccs2)Cc2ccnn21 248079503 CIGHYLCYLXMLFV-CQSZACIVSA-N 318.446 2.022 0 40 DEAB Cc1cc(CN2CC3(C2)OCC[C@H]3COc2ccccn2)no1 247887835 FBHYNTULSNUBHM-AWEZNQCLSA-N 315.373 2.048 0 40 DEAB COCCN(C)c1ccc(CN2CC[C@H]3OCCC[C@H]3C2)cn1 248809616 CIUOTKMFCOEOGG-DLBZAZTESA-N 319.449 2.165 0 40 DEAB Fc1cccnc1O[C@@H]1CSC2(C1)CN(C1CCOCC1)C2 247538572 RJJAJWGQDAYBEX-ZDUSSCGKSA-N 324.421 2.338 0 40 DEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCOC[C@H]1c1ccn[nH]1 257274362 NKRSVYRCQDWHTH-HNNXBMFYSA-N 314.320 2.244 0 40 DEAB CNc1cc(C)nc([C@H]2CN(c3nc(C)cc(C)n3)CCO2)c1 257266152 MBUHTXGTSIVUNL-MRXNPFEDSA-N 313.405 2.416 0 40 DEAB Cc1nc(N)sc1C(=O)N1[C@@H]2CN[C@@H]3CCCC[C@H]1[C@]3(C)C2 257316517 VFYGKCVKKWCNEE-MEQWQQMJSA-N 320.462 2.169 0 40 DEAB Oc1cc(-c2cccnc2)nc([C@@H]2CCN(c3ncccn3)C2)n1 257236914 HEHXQCZGZHDCJU-CYBMUJFWSA-N 320.356 2.028 0 40 DEAB CCN(Cc1cccc(F)c1)S(=O)(=O)[C@H]1CCO[C@H]1C 252568964 VRSYQROCHOHHMC-FZMZJTMJSA-N 301.383 2.155 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2cccc(F)c2)[C@H]1O 257284789 PEHUENYQVMZEDJ-BFYDXBDKSA-N 309.381 2.145 0 40 DEAB COc1ccccc1[C@@H]1CN(CC2CCOCC2)CCN1C 257230056 GAPDXXVGQRIODC-KRWDZBQOSA-N 304.434 2.410 0 40 DEAB FC(F)(F)Cn1nnnc1-c1ccncc1Br 685938267 NYNKJCGSOUETBF-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB CC(C)COC[C@H](O)CNC(=O)Nc1nc2ccccc2s1 45827053 PPNYDBIBZGFPAX-LLVKDONJSA-N 323.418 2.451 0 40 DEAB COC(=O)CN(C(=O)c1csc(C)n1)c1cccc(F)c1 84271958 RUYJCMKYOQUJMY-UHFFFAOYSA-N 308.334 2.410 0 40 DEAB Brc1cnn(CC2CN(Cc3cccnc3)C2)c1 1889090383 YPZDJPWHDMFUFU-UHFFFAOYSA-N 307.195 2.173 0 40 DEAB CC(=O)c1csc(C(=O)N2CCCN(C(=O)C3CC3)CC2)c1 158471325 CCKKYIAWHBKLHL-UHFFFAOYSA-N 320.414 2.035 0 40 DEAB CC[C@](CNC(=O)NC1CCOCC1)(OC)c1ccccc1 225558737 FYAIHXKZDSVCLR-QGZVFWFLSA-N 306.406 2.417 0 40 DEAB Cn1cc(CN2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)cn1 643914595 ROGGNZIWRDAWCF-WBVHZDCISA-N 319.836 2.499 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2cscn2)C1 643913812 IGPDOLKNXPKCAZ-MRXNPFEDSA-N 304.415 2.467 0 40 DEAB CC(C)CCNC(=O)c1cccc(N2CCCS2(=O)=O)c1 11328150 SXQYEFAXDDDOAL-UHFFFAOYSA-N 310.419 2.002 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1cc(OC)cc(OC)c1 3501591 PLAUMHNRZBXNBG-YTXTXJHMSA-N 305.330 2.318 0 40 DEAB C[C@H](Sc1nnc(CN2CCCC2)o1)C(=O)NC1CCCC1 9835338 IORFGSDRUDSFLK-NSHDSACASA-N 324.450 2.205 0 40 DEAB O=C(Cc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 826583717 RCXDMUYLXJDRSO-GJZGRUSLSA-N 314.364 2.354 0 40 DEAB COCCN1CCC[C@H](c2nccnc2-c2cnc(C)n2C)C1 1848355628 XVOOIVNKOUZNLN-AWEZNQCLSA-N 315.421 2.011 0 40 DEAB C[C@H](NC(=O)c1ccc(N2CCOCC2)nc1)c1ccccc1 21960707 LWXAILTVGNZMPF-AWEZNQCLSA-N 311.385 2.409 0 40 DEAB Cc1cc(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)[nH]1 23390676 HYMJPHBYBABFLF-UHFFFAOYSA-N 317.389 2.315 0 40 DEAB CCN1CCN(C[C@H](O)COc2cccc3ccccc23)CC1 23118750 QBQPJOPHNLDCIF-KRWDZBQOSA-N 314.429 2.217 0 40 DEAB CCOC(=O)N1CCN(CCOc2ccccc2Cl)CC1 40161808 DZVOLEANELLXLU-UHFFFAOYSA-N 312.797 2.493 0 40 DEAB O=C(C1CC1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 30649561 FCCKKQRCOVWMKY-UHFFFAOYSA-N 317.414 2.457 0 40 DEAB c1ccc(-c2nnn(Cc3noc(-c4ccsc4)n3)n2)cc1 31626296 QUBAAYWZRJBXMH-UHFFFAOYSA-N 310.342 2.500 0 40 DEAB CC[C@H]1CCc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2C1 40554009 GDVSGRPGWRUTFQ-VIFPVBQESA-N 320.418 2.205 0 40 DEAB Cc1ccc[n+](CCCN2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 101618235 NLJCUJKJIZEBOK-HUUCEWRRSA-N 319.812 2.190 0 40 DEAB CCn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 557383 DCLXLBIXCNYECT-UHFFFAOYSA-N 316.148 2.017 0 40 DEAB Nc1nc(NC(=O)CCc2ccccc2)nn1-c1ccccc1 521609 AZPJJBKEYWYWRP-UHFFFAOYSA-N 307.357 2.421 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@]3(CN(c4cccc5ccccc45)C(=O)[C@@H]13)O2 488792 QPIMZZREQHWMAF-GGXPGOJBSA-N 321.332 2.211 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 53203121 KYSFUYHONQZDAN-LLVKDONJSA-N 322.352 2.078 0 40 DEAB CN(C)c1ccc(C(=O)NC2(N3CCC3=O)CCCCC2)cc1 1410217 PXIAZTVNFURFHH-UHFFFAOYSA-N 315.417 2.375 0 40 DEAB CC(C)NC(=O)C[C@@H](C)NC(=O)N1CCC[C@H](C(F)(F)F)C1 78947021 ZQAKPGUKUQDIQN-MNOVXSKESA-N 323.359 2.274 0 40 DEAB C[C@](NC(=O)c1ccnc(F)c1)(C(N)=O)c1cccc(Cl)c1 79018976 ZYVUBODSEAVZIK-OAHLLOKOSA-N 321.739 2.005 0 40 DEAB CN(Cc1noc(-c2ccccc2)n1)Cc1nnc2ccccn12 79441786 BDWSYJXPMWRWRX-UHFFFAOYSA-N 320.356 2.411 0 40 DEAB CC(C)n1cnnc1SCC(=O)N[C@@H](C)c1ccccn1 47441834 HJJQRTGLEQRJOE-NSHDSACASA-N 305.407 2.224 0 40 DEAB CCCNC(=S)N1CCC(NC(=O)c2cccc(C)c2)CC1 4888701 KDWIQBVAZVJNMY-UHFFFAOYSA-N 319.474 2.474 0 40 DEAB Cc1cnn(CCC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c1 95960564 NVDUCGSJRWNCGT-AWEZNQCLSA-N 319.336 2.053 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)N1CC[C@H]2CCCC[C@H]21 74814194 QVVIUVJQTXPOMW-CHWSQXEVSA-N 316.467 2.174 0 40 DEAB Cc1cc(CN(C)CC(N)=O)cc(C)c1OCC(F)(F)F 54394260 ICZGMNUZMDOXMP-UHFFFAOYSA-N 304.312 2.162 0 40 DEAB CC(=O)N1CCC(CNC(=O)N2CCc3ccccc3C2)CC1 105314290 FHPWZFOWLUASLF-UHFFFAOYSA-N 315.417 2.013 0 40 DEAB Cc1ccnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 12517021 GOIKWURWUCEWOH-OAHLLOKOSA-N 309.369 2.377 0 40 DEAB Cc1ccc([C@H]2NC(=O)c3ccccc3N2CC(N)=O)c(C)c1 24988335 AOPFFLWHOIBVSA-KRWDZBQOSA-N 309.369 2.037 0 40 DEAB CCN(CCCNC(=O)[C@H](NC(C)=O)C(C)C)c1ccccc1 9157645 XPPGCQBLFJSLPV-QGZVFWFLSA-N 319.449 2.180 0 40 DEAB Cc1ccccc1[C@H]1CCCN1C(=O)CCN1C(=O)CCC1=O 55780522 CSYSQDCEEKHFKU-OAHLLOKOSA-N 314.385 2.198 0 40 DEAB Cc1cc(C)nc(NC(=O)NCc2nnc3n2CCCCC3)c1 97378598 UYTBSUJLMHIJMY-UHFFFAOYSA-N 314.393 2.338 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2cccs2)o1 84667323 FXEFZEWEBUWALX-QMMMGPOBSA-N 315.372 2.167 0 40 DEAB CN(CCCOc1ccc(Cl)cc1)C(=O)c1nccnc1N 58215672 JZCHJIZPHFFJON-UHFFFAOYSA-N 320.780 2.253 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1nc2c(s1)CN(C)CC2 27988557 KTSZSXRDGASMHT-UHFFFAOYSA-N 320.418 2.307 0 40 DEAB CCOc1ccc(CNCc2c(C)nn(C)c2OC)cc1OC 58417928 ZSTZEOTUEQJFJK-UHFFFAOYSA-N 319.405 2.434 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1sccc1C)C2 108531852 YBVZIMAHYZKVJA-MLGOLLRUSA-N 306.431 2.435 0 40 DEAB CN(C)C[C@H](CC1=C(C[C@H](CN(C)C)N(C)C)CCC1)N(C)C 23478151 LAAYVNAGMUFKIX-KDURUIRLSA-N 324.557 2.231 0 40 DEAB C[C@@H](NC(=O)N(Cc1cccs1)C1CC1)c1nncn1C 48303635 HYVRTURJHQGMFK-SNVBAGLBSA-N 305.407 2.312 0 40 DEAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 24592772 PUIJYRNEXRZGAD-CQSZACIVSA-N 304.390 2.401 0 40 DEAB CCc1noc([C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)n1 60090080 HJRGXAYQMYEVFL-LLVKDONJSA-N 310.398 2.246 0 40 DEAB O=C(C1CC1)N1CCC(C(=O)N2CCc3ccccc3C2)CC1 28651355 VDUHVGAHJSYXFE-UHFFFAOYSA-N 312.413 2.220 0 40 DEAB CCCCc1noc(Cn2nc(-c3ccc(F)cc3)oc2=O)n1 12898075 YSHIDDXWUNEZEM-UHFFFAOYSA-N 318.308 2.416 0 40 DEAB Cc1ccc(C)c(NC(=O)Cn2nnc3ccccc3c2=O)c1 3579156 KNBCWTDVRHFQGE-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2cc(O)ccc12 4000291 SHCPSRRKGBJFAW-UHFFFAOYSA-N 324.336 2.061 0 40 DEAB biogenic Cc1cc(NC(=O)C2CC2)sc1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 110680785 WIQVZEJWCTZBJN-GRYCIOLGSA-N 320.414 2.455 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306128407 GZNFAULVLRIXAB-LBPRGKRZSA-N 308.353 2.017 0 40 DEAB Cc1csc([C@H]2CN(Cc3noc(C4CC4)n3)CCO2)n1 65466057 MJGPZAHCZNMWPG-LLVKDONJSA-N 306.391 2.285 0 40 DEAB O=C(Nc1nccs1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 20744854 CPOIQEHDOUZHPK-UHFFFAOYSA-N 313.338 2.154 0 40 DEAB CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2ccc(F)cc2)C1=O 9359295 BMSXZYJXDGVANI-RAXLEYEMSA-N 319.336 2.390 0 40 DEAB CC(=O)NCCCNC(=O)N(C)Cc1cc2ccccc2o1 96446082 PBGYVPQVIRIDKS-UHFFFAOYSA-N 303.362 2.100 0 40 DEAB COC[C@@H](NC1CCC2(CCNCC2)CC1)c1ccnn1C 67770428 WBIVZXAQUYFTPB-OAHLLOKOSA-N 306.454 2.010 0 40 DEAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCC(CN)CC1 95971483 OEZSCAUZTVXATG-UHFFFAOYSA-N 301.365 2.493 0 40 DEAB COc1ccc([C@H]2C[C@@H]2C(=O)O[C@H]2C(=O)OCC2(C)C)cc1 68601203 NDNHGVZQDNAXRL-RDBSUJKOSA-N 304.342 2.294 0 40 DEAB Cc1ccc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1 7995070 SKFXFDVIGVVGGI-NEPJUHHUSA-N 313.469 2.307 0 40 DEAB CN(Cc1cnn(C)c1)[C@H](CO)c1cccc(Br)c1 95980917 YLYLBTKTPUWBTN-CQSZACIVSA-N 324.222 2.348 0 40 DEAB Cc1nc(COc2ccc(NC(=O)CN(C)C(C)C)cc2)no1 71888355 KGQFDOKQWLQIGB-UHFFFAOYSA-N 318.377 2.236 0 40 DEAB CSC[C@@H](CCO)NC(=O)c1c(F)c(F)cc(F)c1F 95976870 AGJIMJGXSWQQJK-ZCFIWIBFSA-N 311.300 2.087 0 40 DEAB Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1 71883810 BAZZTLFVPBLMLQ-CQSZACIVSA-N 315.417 2.067 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(S(C)(=O)=O)cc2)c1 69489508 MFTYBCHTLZRWKO-KGLIPLIRSA-N 321.446 2.334 0 40 DEAB C[C@H](C(=O)Nc1ccc(-c2ccccc2)cn1)S(C)(=O)=O 69462638 PSBDDCNCAVLKCK-LLVKDONJSA-N 304.371 2.120 0 40 DEAB Cc1nnc2n1CCN(C(=O)C1CCC(n3cccc3)CC1)C2 69453527 ATSFACMJJGIFOP-UHFFFAOYSA-N 313.405 2.162 0 40 DEAB C[C@@]1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1(Cl)Cl 71921197 GNFSSOZCAVWWQU-JGVFFNPUSA-N 306.111 2.096 0 40 DEAB CC(C)(C(=O)NCCn1cnnc1C1CC1)c1ccc(F)cc1 71914441 YJBRWZSWHDDPMF-UHFFFAOYSA-N 316.380 2.389 0 40 DEAB C[C@H](NC(N)=O)C(=O)N[C@H](C)Cc1ccc(Cl)cc1Cl 69771011 INIJHXMYMRBYEH-SFYZADRCSA-N 318.204 2.097 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2COCC1CCCC1 306129469 IECCIQCKHDPFAK-VNQPRFMTSA-N 307.434 2.467 0 40 DEAB O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCCCCCC1 9882222 MXZWBFHHSKGZHP-UHFFFAOYSA-N 317.368 2.272 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2Cc3cccc(F)c3O2)no1 72299065 PPSOCEPDLQPLCI-QWHCGFSZSA-N 317.320 2.184 0 40 DEAB COCCNC(=O)NCCCO[C@H]1CCCc2ccccc21 73998033 BBLZGRASSXWFLD-INIZCTEOSA-N 306.406 2.416 0 40 DEAB C[S@](=O)CCNC(=O)NCc1cccc(OC2CCCC2)c1 95960065 UYERTRFJMQSWQQ-JOCHJYFZSA-N 324.446 2.186 0 40 DEAB CCn1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cn1 75092977 HQGXLUFXLQJWEO-UHFFFAOYSA-N 318.287 2.219 0 40 DEAB COc1cccc(CNC(=O)c2cccc(-n3cncn3)c2)c1 75139620 XMWOCBAEOQTIRW-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB COCc1ccc(C(=O)Nc2cc(Cl)c(=O)n(C)c2)cc1 89749945 JKAJUYPASYCRME-UHFFFAOYSA-N 306.749 2.437 0 40 DEAB Cn1ncc2c(N3CCCN(c4ccccc4)CC3)ncnc21 89745568 HDJWTYBTVFURNV-UHFFFAOYSA-N 308.389 2.080 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1ccnc(N2CCCC[C@@H]2C)c1 89929775 KQKXWWTYSWNKHK-GJZGRUSLSA-N 316.449 2.237 0 40 DEAB C[C@@H](SCC(=O)NCc1ncc[nH]1)c1nc2ccccc2[nH]1 76093343 DHXJSHQUWXDFTR-SNVBAGLBSA-N 315.402 2.397 0 40 DEAB Cc1nccn1Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)cc1 76020189 JCXMDSLARWBFGB-STQMWFEESA-N 316.405 2.378 0 40 DEAB O=C(O)[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 218454571 BNHOMUKBBPCQMG-KKUMJFAQSA-N 320.341 2.466 0 40 DEAB Cc1nn(C)cc1[C@@H](C)NC(=O)NC[C@@](C)(O)c1ccsc1 77563161 DAJZSMSFZMAVNH-MEBBXXQBSA-N 322.434 2.058 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC(c3cnccn3)CC2)cc1 72385185 MFACOJVXCYXWSX-UHFFFAOYSA-N 317.414 2.353 0 40 DEAB CC(C)S(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)O)C2)cc1 39320849 LOUWCFNKNLVYQC-GFCCVEGCSA-N 311.403 2.170 0 40 DEAB NC[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218627400 BCMYXZPPJCITDG-ARFHVFGLSA-N 305.374 2.340 0 40 DEAB O=C(NCC[C@H]1CCCCN1C(=O)c1cc[nH]n1)C1CCCC1 72355254 CKFOJPYLSYVUMQ-CQSZACIVSA-N 318.421 2.101 0 40 DEAB CNC[C@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 521394625 JXIUAUUIJSFJPM-CQSZACIVSA-N 320.408 2.434 0 40 DEAB Cc1ccccc1C(=O)NCCn1cc(Br)cn1 28241439 KOXPODBITOIGPA-UHFFFAOYSA-N 308.179 2.384 0 40 DEAB C[C@@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)o3)CC2)S1 73119464 GQTKAHBLQJRBKI-SECBINFHSA-N 313.810 2.182 0 40 DEAB NCC(=O)N[C@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 79415321 VHONRWKVLKYBPO-DLBZAZTESA-N 301.434 2.037 0 40 DEAB CCc1noc([C@@H]2CCCN(C(=O)c3c(C)nn(C)c3C)C2)n1 40714398 MESGBSZOAOMCEL-GFCCVEGCSA-N 317.393 2.002 0 40 DEAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)NCc1cccnc1 229891997 WYAPBKMAHCVPIV-LUYZLQTOSA-N 312.369 2.167 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccco1 570808673 VTSNLHJSEYOIJD-BRWVUGGUSA-N 324.380 2.225 0 40 DEAB CN([C@@H](Cc1ccccc1)C(=O)O)S(=O)(=O)c1ccccc1 225152787 RYILYWTZMIEXIV-HNNXBMFYSA-N 319.382 2.003 0 40 DEAB CC[C@H](C)[C@H](CO)NC(=O)Cn1ccc2c(OC)cccc21 575444485 GNZWGRSZWVBIIZ-JSGCOSHPSA-N 304.390 2.173 0 40 DEAB O=C(Cc1ccsc1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042080 KZEDXQPYXUEPPD-YQQAZPJKSA-N 321.442 2.476 0 40 DEAB CCOC(=O)[C@@H]1CS[C@H](c2ccc(Br)o2)N1 98072863 KOHGGTSJYHJBKZ-IMTBSYHQSA-N 306.181 2.309 0 40 DEAB COC(=O)COc1c(Br)cc(Cl)cc1C=O 98063826 CJNGHZJEBDTSQX-UHFFFAOYSA-N 307.527 2.467 0 40 DEAB COc1cc(N2CCC[C@@]3(CCN(CC4CC4)C3)C2)ncn1 96216585 QIEBAPVNYSILCC-KRWDZBQOSA-N 302.422 2.188 0 40 DEAB C1CCN(CCN2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)CC1 96042101 OJZXKKGWCJAELF-OKZBNKHCSA-N 308.466 2.131 0 40 DEAB COC(=O)c1sccc1Cn1nc(-c2cccs2)oc1=O 96465906 KWHOZQGCMPEILI-UHFFFAOYSA-N 322.367 2.461 0 40 DEAB Cn1nc(CNC(=O)Nc2c(F)cccc2F)c2c1CCOC2 96104034 MXJBHVYVBKRKJB-UHFFFAOYSA-N 322.315 2.093 0 40 DEAB C[C@@H](CCc1ccccc1F)C(=O)NC[C@@H](O)C1CCOCC1 96436979 BVYBIAUVYQQIAR-SUMWQHHRSA-N 323.408 2.298 0 40 DEAB O=C(c1ccncc1)N1CCC(N[C@@H]2CCCSC2)CC1 97371005 MFHDNRXTGKARBC-OAHLLOKOSA-N 305.447 2.171 0 40 DEAB Cc1nc(N2CCCC2)nc2c1CCN(Cc1cccnc1)CC2 96254540 QCMFWAOYUZFDBX-UHFFFAOYSA-N 323.444 2.381 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](NCc3ccncc3)C2)c1 96449343 GQMOPMNCLHXMGN-HNNXBMFYSA-N 313.401 2.467 0 40 DEAB Cc1ccc(-n2nnnc2SCN2CCCCC2=O)cc1C 96491092 SXIIXEDPHDJCDC-UHFFFAOYSA-N 317.418 2.341 0 40 DEAB C[C@H](CSCC(=O)N[C@H]1CCCCNC1=O)c1ccccc1 96496202 IWIJOCLMZXORMF-HIFRSBDPSA-N 320.458 2.308 0 40 DEAB Cc1cc(NC(=O)N2CC[C@H](CN3CCOCC3)C2)ccc1F 97101265 QCFJCFKAXCVMMC-CQSZACIVSA-N 321.396 2.320 0 40 DEAB O=C(C1CC1)N1CC[C@]2(CCC[C@H](CNc3ccccn3)O2)C1 96216183 AKBPHEGEWXOZIL-CRAIPNDOSA-N 315.417 2.444 0 40 DEAB COC[C@H]1CN(C)CC12CCN(C(=O)c1occc1C)CC2 248135984 OPWBOUFAURYJQH-CQSZACIVSA-N 306.406 2.018 0 40 DEAB O[C@@H]1CN(Cc2ccc(Cl)cn2)C[C@H]1Oc1ccccc1 257311166 UIGBIXXVNUKZCD-HZPDHXFCSA-N 304.777 2.359 0 40 DEAB CC(=O)N1[C@@H](c2ccccc2)C[C@@]2(C)[C@@H](O)[C@@H](O)CCC[C@@H]12 257285701 PIJJVDSMROFQCP-MDMSPXHWSA-N 303.402 2.261 0 40 DEAB Cc1ccc2nc(C(=O)N3CCO[C@H](c4ccncc4)C3)cn2c1 257253845 KAMFNIQMBFMMFM-INIZCTEOSA-N 322.368 2.251 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)CCn3ccc(C)n3)CC[C@@]2(C)C1 257285287 PGLKFGKKVRXIIL-INMHGKMJSA-N 305.422 2.388 0 40 DEAB Oc1cc(-c2ccncc2)nc([C@H]2CCCN2c2ncccn2)n1 257338501 YXSMQQPXHOCQDC-CQSZACIVSA-N 320.356 2.376 0 40 DEAB CC(=O)N1CCC[C@@H](c2nccnc2-c2sc(N)nc2C)C1 257305075 SOIHZLRGSCPYNM-LLVKDONJSA-N 317.418 2.217 0 40 DEAB 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IULCMXBTNGDJIX-CXAGYDPISA-N 306.406 2.155 0 40 DEAB CC1(C)C[C@H](NCC(=O)NCc2ccc(F)cc2)C(C)(C)O1 132592351 PWVXQNUVUSEEBB-AWEZNQCLSA-N 308.397 2.378 0 40 DEAB CC(C)c1ccc(OCc2ncc(CC(=O)O)c(=O)[nH]2)cc1 217387825 ZIMOEKIQXMUJJW-UHFFFAOYSA-N 302.330 2.099 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC(NCC3CC3)CC2)c(C)o1 195555293 BWPHHBOBAVLPHA-UHFFFAOYSA-N 312.435 2.049 0 40 DEAB Cc1nsc(NCc2ccccc2CN2CCC(O)CC2)n1 195544011 JAQAAHLDOBSGEX-UHFFFAOYSA-N 318.446 2.415 0 40 DEAB O=C(/C=C/c1cccc(O)c1)N1CCCC[C@H]1Cn1ccnn1 225442593 UERSFDNPFNFSLS-KIUWMYQTSA-N 312.373 2.078 0 40 DEAB CC1(C)COc2ccc(C(=O)NC[C@H]3CCCO3)cc2OC1 225358592 RIFNCDVJHNAQFH-CYBMUJFWSA-N 305.374 2.393 0 40 DEAB O=C(COc1ccc(Cl)cc1)Nc1cnc2ccnn2c1 225573331 ZUQBZNKYQVBMKC-UHFFFAOYSA-N 302.721 2.400 0 40 DEAB C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccncn2)CC1 194054109 AJCGZWFVWSWIRM-GFCCVEGCSA-N 317.418 2.449 0 40 DEAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223562589 KEYZKBUVIVGZNW-CHWSQXEVSA-N 319.455 2.416 0 40 DEAB COc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cn1 225917226 FJESJXVAFNECQZ-UHFFFAOYSA-N 318.329 2.374 0 40 DEAB COC(=O)c1ccc(-c2ccc(OC)cc2OC)nc1C=O 225735808 CFANOXWKJVIJKQ-UHFFFAOYSA-N 301.298 2.365 0 40 DEAB O=C1NCCN1C1CCN(CCSCc2ccccc2)CC1 192548849 SGFIDQZTWDTDGV-UHFFFAOYSA-N 319.474 2.409 0 40 DEAB CCCCO[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 236841846 GXVQJGOUFPZTSS-SWLSCSKDSA-N 305.374 2.230 0 40 DEAB Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccncc2)n1 96055767 GYSZRRZUGDJXEH-ZWKOTPCHSA-N 322.412 2.160 0 40 DEAB O=S(=O)(CCn1ccnc1-c1ccncc1)c1ccccc1 96435808 GGHRIQLXPUYEBV-UHFFFAOYSA-N 313.382 2.419 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2C(=O)[C@@H]3CCCC[C@H]23)cc1 231683501 KBBYFBBNPXYOHV-ZNMIVQPWSA-N 307.415 2.373 0 40 DEAB Cc1nc(CN2CC[C@@]3(C[C@@H]3C(=O)N3CCCC3)C2)cs1 96075005 YJEKJLHXTQSYJO-GDBMZVCRSA-N 305.447 2.286 0 40 DEAB CCn1nnc2cc(C(=O)O[C@H]3[C@H]4CCO[C@@H]4C3(C)C)ccc21 96416286 JJQQTLGSZHCEJW-CQDKDKBSSA-N 315.373 2.422 0 40 DEAB CC(C)N(C)Cc1ncn2c1CN(C(=O)c1ccco1)CCC2 96259213 NRIYOSLLYCTLSS-UHFFFAOYSA-N 316.405 2.362 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)cs2)C12CCCC2 96432461 XPVHHCJGHLNLRC-STQMWFEESA-N 322.430 2.315 0 40 DEAB CCN1C[C@H](COC)[C@]2(CCN(C(=O)CC3CCCC3)C2)C1 96220098 GDMQVBRYGKSGSP-SJLPKXTDSA-N 308.466 2.384 0 40 DEAB CC1([C@@H]2CCCN(C(=O)NCCc3ccsc3)C2)OCCO1 96502066 AJWYTIBTSDLPDZ-CQSZACIVSA-N 324.446 2.475 0 40 DEAB COc1nccc2c(NC(=O)COC[C@@H]3CCCO3)cccc12 579685078 UXOZPSAKMRKEFX-LBPRGKRZSA-N 316.357 2.378 0 40 DEAB CCc1nc(CS(=O)(=O)[C@H]2CCCc3ccccc32)n[nH]1 97097917 PLRWYCYABVJGBQ-ZDUSSCGKSA-N 305.403 2.360 0 40 DEAB O=S(=O)(C[C@@H]1CCCO1)c1cccc(Br)c1 96403778 PGVBRAAAIBBQAN-JTQLQIEISA-N 305.193 2.402 0 40 DEAB Cc1nc(N(C)C)ncc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 247998907 BIUFLQJPWDSTDY-DOERSZECSA-N 302.422 2.406 0 40 DEAB Cc1cc(C)n(CCCC(=O)N2CCCC[C@H]3CNCC[C@H]32)n1 257212751 CETOHKPRAACLGX-DLBZAZTESA-N 318.465 2.271 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@@H](c2ccn[nH]2)C1 257210375 BUJAISDEPHUESS-GFCCVEGCSA-N 303.337 2.334 0 40 DEAB Cc1noc(C)c1CO[C@@H]1CCN(CCO[C@H]2CCCCO2)C1 252536301 ICDFJUZQUFHAHU-WBVHZDCISA-N 324.421 2.426 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1ccno1 257213500 CHVCGPDEHIDYLC-PWXKEOIMSA-N 317.389 2.069 0 40 DEAB CCn1nc(C)c(CNCc2ccnn2CC(F)(F)F)c1F 256051053 HNLXDNNLHHNCTF-UHFFFAOYSA-N 319.306 2.399 0 40 DEAB O=C(O)c1cn([C@@H]2CCN(c3nc4ccccc4s3)C2)nn1 564841254 SFNSKRHUMMXPQB-SECBINFHSA-N 315.358 2.037 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](OCc3cnccc3C)CCO2)C1 575402907 DMEKTNIKUHGOAO-INIZCTEOSA-N 318.417 2.467 0 40 DEAB Cc1ccc(-c2csc(N3CCS(=O)(=O)CC3)n2)s1 69389109 BWYSDFMEARFQES-UHFFFAOYSA-N 314.457 2.415 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc(N(C)C)nc1 47189145 CYBFKMPAXOXKFI-HIFRSBDPSA-N 305.422 2.473 0 40 DEAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)O)C1 37436002 RKFYXZLLQZEWKE-MNOVXSKESA-N 311.765 2.431 0 40 DEAB CCCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1 57526879 YCIIDUNLBCXAAQ-UHFFFAOYSA-N 313.419 2.192 0 40 DEAB CSC[C@@](C)(O)CNC(=O)c1ccc(Br)s1 96414650 BZYKNUOKCYPQIW-JTQLQIEISA-N 324.265 2.354 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCC(F)(F)F 60154646 KBMROTUBKVVZTI-SECBINFHSA-N 310.316 2.455 0 40 DEAB O=C(O)[C@@H](CCc1ccccc1)N1CC[C@@H](c2ncccn2)C1 1574346695 SUXLGRZNRYWXJO-HZPDHXFCSA-N 311.385 2.352 0 40 DEAB COc1ccc2c(c1OC)C(=O)O[C@H]2NNc1ccccc1 5375526 JVLNPTHWPNPPFS-OAHLLOKOSA-N 300.314 2.490 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13154251 ZBZCASVMQIQUTN-DGAVXFQQSA-N 303.358 2.374 0 40 DEAB COc1ccc(O[C@H](C)C(=O)NCCCN2CCCCC2)cc1 13670599 HVOVSVQOJYNYNY-OAHLLOKOSA-N 320.433 2.455 0 40 DEAB CCCCC(=O)N1C(=O)/C(=C/N(C)C)c2cc(C=O)ccc21 17060445 LQKILBMAOMOWGL-GXDHUFHOSA-N 300.358 2.465 0 40 DEAB Cn1cc(C(=O)N2CCS[C@@H](c3cccs3)CC2)nn1 219504206 WMKFOWVFJZWHCE-GFCCVEGCSA-N 308.432 2.197 0 40 DEAB Cc1nc2c(c(=O)[nH]1)CN(C(=O)c1cc(C3CC3)oc1C)CC2 12155740 XVHIRFPLYPFPDG-UHFFFAOYSA-N 313.357 2.056 0 40 DEAB C[C@H](Cl)C(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 20181436 IUJWLUCTDDWWKZ-JTQLQIEISA-N 315.200 2.252 0 40 DEAB CC1(C)C[C@H]1C(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223424 KTQPUKFGZUVFRX-JYJNAYRXSA-N 306.450 2.134 0 40 DEAB Cc1cc2c(N3CCC(NC(=O)C(C)(C)C)CC3)nccn2n1 2086939609 GZHPWYPHZQNFFQ-UHFFFAOYSA-N 315.421 2.169 0 40 DEAB O=C(CSc1nnc(-c2cccnc2)o1)NCc1ccco1 6100367 YZDIIGRQHCBXDG-UHFFFAOYSA-N 316.342 2.133 0 40 DEAB O=C(Nc1cccnc1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781384 REYDWXJPZBYEPE-UHFFFAOYSA-N 324.315 2.078 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(-n2cnnn2)cc1 40023808 KRGZTTIGHNBCIA-SMDDNHRTSA-N 300.366 2.363 0 40 DEAB O=C(NC1CCN(c2ncnc3ccsc23)CC1)C1CC1 30524748 NSYYWHSQKKWYPG-UHFFFAOYSA-N 302.403 2.186 0 40 DEAB O=C(c1cccc(Cl)n1)N1CCN(c2ccccn2)CC1 51072634 UQWIIPDWEAIXQT-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB CC(C)N(CC(N)=O)Cc1csc(Cc2ccccc2)n1 51476988 BREBMWWRPLTPHJ-UHFFFAOYSA-N 303.431 2.430 0 40 DEAB CC(=O)c1cccc(NC(=O)c2cccc(-n3cnnn3)c2)c1 418377 IKVQHFNVEWSDLB-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB Cc1ccc(Cn2nccc2NC(=O)COCC(F)(F)F)o1 60614631 QDRHIFJFPREYTP-UHFFFAOYSA-N 317.267 2.350 0 40 DEAB Cc1ccccc1NC(=O)[C@H]1C[C@@H](O)CN1C(=O)OCC(C)C 260612 FQFDMELHLFNWNC-UKRRQHHQSA-N 320.389 2.161 0 40 DEAB COC(=O)CNC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 41780460 IKSODDLPQMUYON-UHFFFAOYSA-N 318.398 2.259 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)C(=O)Cc1occc(=O)c1O 1629318 NXWBOTLYGWUPOZ-UHFFFAOYSA-N 321.716 2.058 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O 79015833 CMMKRKFYAOQUTA-LEWSCRJBSA-N 324.808 2.268 0 40 DEAB O=C(O)[C@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1 2527380 YYJYUBBJEDGVJL-HNNXBMFYSA-N 304.321 2.367 0 40 DEAB COC[C@H]1CN(C(=O)CCCCOc2cccc(C)c2)CCO1 72295789 OLRYANQGMZCDCU-QGZVFWFLSA-N 321.417 2.418 0 40 DEAB Cn1c(S)nc2cc(C(=O)NC3(C)CCCC3)ccc2c1=O 103808441 GIWPSLQWEJIDTH-UHFFFAOYSA-N 317.414 2.285 0 40 DEAB Cc1cc(C)cc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)c1 4280130 OYJDEDXXDKJAOP-HNNXBMFYSA-N 316.357 2.468 0 40 DEAB C[C@H](Sc1nnc(N)s1)C(=O)NCc1ccccc1F 22738599 OWQLZFIGPRICCG-ZETCQYMHSA-N 312.395 2.056 0 40 DEAB CC(C)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 61650377 KAOWURKSHPHOFQ-DLBZAZTESA-N 302.418 2.403 0 40 DEAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)N1CCOCC1 57632468 DMLCIFLZODCNLE-LBPRGKRZSA-N 304.173 2.321 0 40 DEAB CC1(C)C(=O)N(CC(=O)NCc2ccncc2)c2ccccc21 57355622 JJCLASGJASANJY-UHFFFAOYSA-N 309.369 2.022 0 40 DEAB CCn1cc(NC(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)cn1 58175593 LNNITKYAAIKNTK-JTQLQIEISA-N 316.365 2.276 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C)ccc2OC)C1 48235478 CWOCVXJYVCKYKZ-CYBMUJFWSA-N 305.374 2.419 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)N[C@H]1COc2ccccc21 58507053 BBEJEKHTWBUQAM-AWEZNQCLSA-N 310.419 2.219 0 40 DEAB O=C(CN1CCC(c2cn[nH]c2)CC1)NCCc1cccs1 97202737 UUPQUZJMCXEWNX-UHFFFAOYSA-N 318.446 2.010 0 40 DEAB Cc1nc2ccccc2n1CCNc1cncc(-n2cccn2)n1 59376065 PIDOFHRISWCAEN-UHFFFAOYSA-N 319.372 2.433 0 40 DEAB O=C(Nc1n[nH]c(C(F)(F)F)n1)c1cc(-c2ccccc2)n[nH]1 29389375 ITDRHTGPOBJMNV-UHFFFAOYSA-N 322.250 2.466 0 40 DEAB O=C(NCCc1ccccc1)NCc1ccc(-n2ccnc2)nc1 29318754 FGFPKTKPIBEFFZ-UHFFFAOYSA-N 321.384 2.309 0 40 DEAB CC(C)Cn1nnnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 29593944 AGYGWQKHYPWSNR-VXGBXAGGSA-N 311.455 2.116 0 40 DEAB C[C@H](OC(=O)C1=COCCO1)C(=O)Nc1ccc(Cl)cc1 3535878 HAOHGHFIVNMBJU-VIFPVBQESA-N 311.721 2.098 0 40 DEAB CON(C)C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 38580667 YGJZELRSUMZXKK-AWEZNQCLSA-N 306.362 2.055 0 40 DEAB COc1ccc(CCNC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 63808212 MVIUIDIQGIHDCV-STQMWFEESA-N 322.405 2.065 0 40 DEAB CCn1c(SCC(N)=O)nnc1-c1ccc2c(c1)CCCC2 9193310 KUOZTVXLVXIVGT-UHFFFAOYSA-N 316.430 2.421 0 40 DEAB O=C(COC(=O)c1ccccn1)N[C@@H]1CCCc2ccccc21 5059969 JTHBNFIMKMNGNY-OAHLLOKOSA-N 310.353 2.432 0 40 DEAB CCOC(=O)[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)O 95347678 KTHVHNXFBZPUOQ-WRWORJQWSA-N 320.172 2.036 0 40 DEAB CNC(=O)[C@H]1CCCN(Cc2ccc(OC)cc2OC(C)C)C1 93360874 OEKYUMMEVUFCOS-HNNXBMFYSA-N 320.433 2.440 0 40 DEAB COC(=O)[C@H](C)CNC(=O)Nc1ccccc1Br 84638441 WIWNQUZFHZSCNB-MRVPVSSYSA-N 315.167 2.380 0 40 DEAB CCCN(CCc1ccccn1)C(=O)C1CCN(C(C)=O)CC1 65564586 KHMWYRTUKUYIGV-UHFFFAOYSA-N 317.433 2.121 0 40 DEAB O=C(O)c1ccc(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 110755252 IIJWBBNPTQFZPR-HOCLYGCPSA-N 324.380 2.166 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CN(C)CCO2)c(OC(C)(C)C)c1 84795714 RLNINOJCIZNFQT-MRXNPFEDSA-N 320.433 2.119 0 40 DEAB Cc1cc([C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)c(C)o1 65794665 QLUUXZOCGYCVLF-VIFPVBQESA-N 311.407 2.286 0 40 DEAB NC(=O)[C@@H]1CN(C(=O)/C=C/c2cccs2)c2ccccc2O1 14228730 JJCXIZHBYGSZOO-NPQIQWPPSA-N 314.366 2.041 0 40 DEAB CCO[C@@]1(C(F)(F)F)NC(=O)N(c2cccc(F)c2)C1=O 4653807 OSYRWLICMNIDAC-NSHDSACASA-N 306.215 2.177 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2)C1 5592370 CEOZVTZDOVCKNX-UONOGXRCSA-N 305.374 2.256 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1CNC(=O)N1C(=O)OCc1ccccc1 6692977 BQZKFYBNKNXMIO-LBPRGKRZSA-N 320.345 2.059 0 40 DEAB Cn1c(=O)oc2cc(Nc3ncc(Br)cn3)ccc21 67371821 ZFCRIOUYONDEQJ-UHFFFAOYSA-N 321.134 2.428 0 40 DEAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(F)ccc1F 8104760 GBQVCBKGSNHHOT-UHFFFAOYSA-N 313.281 2.494 0 40 DEAB CC(=O)N1C[C@H](C(=O)NCc2ccc(C)cc2)Oc2ccccc21 8330659 JIAFZGBVICXDMO-GOSISDBHSA-N 324.380 2.425 0 40 DEAB Cc1cc(NC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)no1 69536675 IFEJVXSYTKCADJ-UHFFFAOYSA-N 315.329 2.079 0 40 DEAB COC(=O)Cc1ccc(OCC(=O)N[C@H](C)c2ccco2)cc1 69518900 ICDIETVUDOSOPD-GFCCVEGCSA-N 317.341 2.251 0 40 DEAB COC(=O)C(C)(C)N(C)CC(=O)Nc1cc(Cl)ccc1F 69599494 TZDPEZRGVWYZFN-UHFFFAOYSA-N 316.760 2.301 0 40 DEAB O=c1cc(CN(Cc2cccs2)C2CC2)[nH]c2ccnn12 69512152 GNHRCIKDTFWELF-UHFFFAOYSA-N 300.387 2.249 0 40 DEAB Cn1c(=O)oc2cc(NC(=O)CCOCC(F)(F)F)ccc21 69633139 HXTRIQHBHPBRIM-UHFFFAOYSA-N 318.251 2.039 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCc2nc(-c3ccccn3)no2)c1 69629478 GCTRVPVJFFUZQZ-CHWSQXEVSA-N 312.377 2.376 0 40 DEAB CCCC[C@H](CC)C(=O)N1CCN(Cc2noc(CC)n2)CC1 69740724 BRMNMYXHGFVGDB-AWEZNQCLSA-N 322.453 2.493 0 40 DEAB CC[C@H]1CN(Cc2nc3ccccc3o2)CCN1CCOC 69842218 MUYYHGTVAICFNZ-AWEZNQCLSA-N 303.406 2.370 0 40 DEAB COc1cccc(CN(C)CC2CCN(C[C@H](C)O)CC2)c1 69897177 ZHJMGMSXHRPAKH-HNNXBMFYSA-N 306.450 2.220 0 40 DEAB COCCCCC(=O)NC[C@](C)(O)c1ccc(F)cc1F 71907903 VWDIUUOMZIVRIV-HNNXBMFYSA-N 301.333 2.105 0 40 DEAB Cc1ccccc1CN1C(=O)C(=O)N(Cc2ccccc2)C1=O 8735792 LTOGBFAESCJNRV-UHFFFAOYSA-N 308.337 2.486 0 40 DEAB CCN(CC(=O)Nc1cc(C)on1)c1ccccc1C(=O)OC 71913953 WGELZKAKFKLSJV-UHFFFAOYSA-N 317.345 2.235 0 40 DEAB CCN(CCC(F)(F)F)S(=O)(=O)c1cn(C(C)C)cn1 95435939 LALBOJVVFGDBGB-UHFFFAOYSA-N 313.345 2.427 0 40 DEAB CC(C)[C@H](N)CCN(C)C(=O)c1coc(Br)c1 97019696 RYWWNIKECVJXTF-SNVBAGLBSA-N 303.200 2.488 0 40 DEAB Cc1ccc(NC(=O)CCn2cnc(C)c(C)c2=O)cc1F 97082258 CHDMNJYEKWEKPR-UHFFFAOYSA-N 303.337 2.336 0 40 DEAB CCCN(C(=O)CCn1cncn1)[C@H]1C[C@@H](OCC)C1(C)C 72293693 LEFKSTBGNHNERU-UONOGXRCSA-N 308.426 2.110 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cc1ccccc1F 95980334 QOJMFBFCFHPLCG-HNNXBMFYSA-N 317.364 2.308 0 40 DEAB CCn1c(CNC(=O)c2ccccc2C(C)=O)n[nH]c1=S 74351680 IBNOQSUHNWXKLA-UHFFFAOYSA-N 304.375 2.093 0 40 DEAB COC(=O)c1ccc([C@H](C)N2CCC(Cn3ccnn3)CC2)o1 89264152 HBJQYRPJIMGOEY-LBPRGKRZSA-N 318.377 2.131 0 40 DEAB CO[C@H](CNC(=O)N1CCOC[C@@H]1C)c1cccc(Cl)c1 74871692 AZGHTUUPKPWMQI-SMDDNHRTSA-N 312.797 2.458 0 40 DEAB CCCc1nnc(CN2CCN(Cc3ccccn3)CC2)s1 89960561 JKDBAHVEVXSOSA-UHFFFAOYSA-N 317.462 2.203 0 40 DEAB CCNC(=O)NC(=O)CN1c2ccccc2CC[C@H]1C(C)C 89977475 DQWFAAMXVMEAIA-AWEZNQCLSA-N 303.406 2.310 0 40 DEAB Cc1ccc(C)c([C@@H]2CN(CCn3cncn3)[C@H](C)CO2)c1 75837020 QKEOHWGGKAHUSF-WBVHZDCISA-N 300.406 2.357 0 40 DEAB CCC(=O)N[C@H]1CCCN(c2ncnc3ccc(F)cc23)C1 76062889 QEHMFGFYMMBHJQ-LBPRGKRZSA-N 302.353 2.264 0 40 DEAB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NCc1ccccn1 67889756 OJIYHPMSUAVMQP-DYVFJYSZSA-N 315.417 2.351 0 40 DEAB biogenic,in-vitro O=C(NC1CCCC1)c1ccc2c(=O)n3c(nc2c1)SCC3 67350148 VSMVOQLYBQARBI-UHFFFAOYSA-N 315.398 2.175 0 40 DEAB CCc1[nH]ncc1C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1 69601714 YQYHYUWKYRQNBS-OAHLLOKOSA-N 316.405 2.440 0 40 DEAB COC(=O)c1cc(Cl)cc(I)c1O 36462444 ZKFLKMGDSPSVEE-UHFFFAOYSA-N 312.490 2.437 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC[C@H]1c1ccc(O)nn1 530075324 HUEFBDYCQVKQSU-SNPRPXQTSA-N 319.405 2.441 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2cc(F)ccc2Cl)CC1 189257144 NHTWUJXIEZOENC-CQSZACIVSA-N 315.772 2.225 0 40 DEAB C[C@@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1 72324797 CWRPDHISSPOZMD-BYCMXARLSA-N 314.351 2.345 0 40 DEAB O=S(=O)(O)c1[nH]c2ccccc2[n+]1Cc1ccc(Cl)cc1 6133533 LNKIIGLRHXUSHP-UHFFFAOYSA-O 323.781 2.404 0 40 DEAB Cc1cccc(CNC(=O)c2cc(C)nc3c2c(O)nn3C)c1 33002816 AQDXTNBVUSYSRO-UHFFFAOYSA-N 310.357 2.221 0 40 DEAB Cc1ccc(-n2cnnc2)c(C(=O)N2CC(CC(F)F)C2)c1 567711976 YCOXSCOEUAECLT-UHFFFAOYSA-N 306.316 2.303 0 40 DEAB c1ccc([C@@H]2CN(CCCN3CCOCC3)CCS2)cc1 75748348 LFLCVNFPYXDTJT-KRWDZBQOSA-N 306.475 2.499 0 40 DEAB CC(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)(C)C 217432465 JJPUVOMUKJQAND-UHFFFAOYSA-N 314.407 2.282 0 40 DEAB CC(C)n1ccc2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21 79485793 UWTRNEOGDNLQOY-AWEZNQCLSA-N 320.414 2.139 0 40 DEAB NC[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218630098 QRVWNRYQMJGWOY-ARFHVFGLSA-N 305.374 2.340 0 40 DEAB O=C(NCC1(O)CCSCC1)c1nccc2ccccc12 75121443 LDANBPMCKANIFS-UHFFFAOYSA-N 302.399 2.223 0 40 DEAB CCOC(=O)CNCC1(NC(=O)OC(C)(C)C)CCCCC1 73633258 WMLVCAHALABTGN-UHFFFAOYSA-N 314.426 2.367 0 40 DEAB CC(C)Cc1noc([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)n1 41122653 LKNLBLWAKFPDMR-OLZOCXBDSA-N 307.394 2.153 0 40 DEAB CC(C)Cc1nn2c(=O)cc(COC(=O)C(C)C)nc2s1 41078232 ZIZHYOZIIVKMRD-UHFFFAOYSA-N 309.391 2.049 0 40 DEAB Cc1cccc(CNC(=O)N[C@@H]2CCOC2)c1Br 225536843 RFJLNWGQQHFFSL-LLVKDONJSA-N 313.195 2.346 0 40 DEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCSC(C)(C)C1 81926118 NDQHZNNJZSRDLX-HNNXBMFYSA-N 318.442 2.318 0 40 DEAB O=C1C[C@H](Cc2ccc(F)cc2)C(=O)N1CC1(O)CCCC1 328999713 KVXOCGIQIAAERO-ZDUSSCGKSA-N 305.349 2.048 0 40 DEAB Cc1c(C(=O)N2CCCN(C)CC2)c(=O)oc2cc(F)ccc12 195546270 ICUADNQNEGLBQB-UHFFFAOYSA-N 318.348 2.018 0 40 DEAB CC(C)NC(=O)C1CCN(C(=O)CCc2cccs2)CC1 223207384 HWSVOJQWHURBSV-UHFFFAOYSA-N 308.447 2.444 0 40 DEAB O=C(NCCCCCc1nnc2ccccn12)c1ccccn1 95476104 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40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@@H](Cc4ccn[nH]4)C3)cn2c1 257239696 HQJVQXKZBBFDKJ-AWEZNQCLSA-N 323.400 2.461 0 40 DEAB O=C(O)c1ccccc1-c1cnc(CN2CCC[C@@H](O)C2)s1 257272858 NEDKOZIQRRVOFI-LLVKDONJSA-N 318.398 2.465 0 40 DEAB O=C(Nc1ccn2ccnc2c1)NC1CCC(C(=O)O)CC1 262987313 CXOJGUQLGUEGKL-UHFFFAOYSA-N 302.334 2.099 0 40 DEAB Cc1ncc(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)o1 661308984 KMQZFPQWVYGLTH-GJZGRUSLSA-N 315.373 2.355 0 40 DEAB O=C(c1ccc(O)nc1)N1CCC[C@@H]1c1cccc2nccn12 585182445 WAMNCWLDNCHTHI-CQSZACIVSA-N 308.341 2.412 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@H](c3noc(C)n3)C2)cn1 72231781 SAWACHMOIKNVQR-CQSZACIVSA-N 300.362 2.030 0 40 DEAB Cc1nc(CN2CCN(Cc3ccccc3)C(=O)C2)cs1 1206802616 ISJCXBCBBUYSMR-UHFFFAOYSA-N 301.415 2.296 0 40 DEAB CC(=O)N1c2ccc([C@H](O)CN3CCSCC3)cc2C[C@@H]1C 12146822 HAFCIMVXAGBSSN-YVEFUNNKSA-N 320.458 2.066 0 40 DEAB COc1ccc(/C=C2/SC(=O)N(CN(C)C)C2=O)cc1OC 13563496 ZUJLRJNZHBBWTI-MDWZMJQESA-N 322.386 2.259 0 40 DEAB Cn1cc([C@H]2CCCCCN2S(=O)(=O)c2cccnc2)cn1 19290615 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Cc1cccc(OCCC(=O)NCCCN2CCCC2=O)c1C 40516564 HNVLJEJZINIZQT-UHFFFAOYSA-N 318.417 2.201 0 40 DEAB O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccoc2)C1 32764339 YSCXUGQBUVFDGF-OAHLLOKOSA-N 312.369 2.448 0 40 DEAB CC[C@@H](Oc1ccccc1)C(=O)N1CCC(C(=O)OC)CC1 479594 UBBPGCKQLYSKDQ-OAHLLOKOSA-N 305.374 2.256 0 40 DEAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc2c(c1)NC(=O)CO2 33120465 CADNWUGTDZTUQK-AAEUAGOBSA-N 318.373 2.154 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)cnc21 78895059 JNTOHUZGFXLOTC-DOMZBBRYSA-N 315.421 2.034 0 40 DEAB O=C(CNC1(c2nccs2)CCCC1)NCc1ccco1 78970493 CRQMCWKHWOXRTL-UHFFFAOYSA-N 305.403 2.411 0 40 DEAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)c1cnc[nH]1 79072259 XCAMXXIVIUIJQQ-UHFFFAOYSA-N 312.304 2.011 0 40 DEAB O=S1(=O)C[C@H]2SC(Nc3cccc(Cl)c3)=N[C@@H]2C1 2462054 ZHYPAMBYCYMQMJ-NXEZZACHSA-N 302.808 2.020 0 40 DEAB C(=C/CN1CCOCC12CCC2)\CN1CCOCC12CCC2 104321565 YFJVFMAOUIRDGO-OWOJBTEDSA-N 306.450 2.052 0 40 DEAB Cc1noc(C2CCN(C(=O)NCc3ccccc3)CC2)n1 54702948 ORGLMVLNYZZJOA-UHFFFAOYSA-N 300.362 2.467 0 40 DEAB CN(C)c1cc(CNC(=O)NCc2ccccc2F)ccn1 47611555 CZKQGJUMSKHAHW-UHFFFAOYSA-N 302.353 2.286 0 40 DEAB O=C(NC[C@@H]1CCOC1)NC[C@@H](c1ccco1)N1CCCCC1 47778205 WUYIBTRQFNOTJA-GJZGRUSLSA-N 321.421 2.142 0 40 DEAB O=C(OC1CCN(CC(F)(F)F)CC1)[C@H]1C[C@H]2CC[C@H]1O2 102699910 PFFVBIUISJYOIZ-GRYCIOLGSA-N 307.312 2.124 0 40 DEAB C[C@H]1C(=O)N(c2c(Cl)cccc2Cl)C(=O)C[S@]1=O 1396941 WTKIXTDXVDESQT-QQOXFEPMSA-N 306.170 2.004 0 40 DEAB CN(Cc1ccccc1N1CCOCC1)C(=O)NCC1CC1 25086713 MMDKYYAXSLPNQK-UHFFFAOYSA-N 303.406 2.075 0 40 DEAB Cc1sc2nc(SCC(=O)NC3CC3)nc(N)c2c1C 12538420 NJOWDOZJIZBLEM-UHFFFAOYSA-N 308.432 2.261 0 40 DEAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@@H]2C)C(=O)NC1CC1 34892234 TYOCYSHXICTDDP-DCAQKATOSA-N 303.358 2.395 0 40 DEAB CCn1cc(Br)cc1C(=O)N1CCCC[C@H]1CN 44541066 BRQBTKNJGAIAOZ-NSHDSACASA-N 314.227 2.224 0 40 DEAB COc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cn1 48018680 WDPYPPFFPPVZBF-CYBMUJFWSA-N 323.299 2.224 0 40 DEAB COC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)n2)c1 12688909 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CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NCCC(C)C)c1C 2655909 QBJUYEYUZBOEFG-UHFFFAOYSA-N 308.378 2.153 0 40 DEAB O=C(COC(=O)c1cccc(O)c1)NCc1ccc(F)cc1 3510977 FTCSGNXCMGLKHW-UHFFFAOYSA-N 303.289 2.005 0 40 DEAB CCC(=O)N1C[C@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 306127701 GFFSREAEDOQLHP-DLBZAZTESA-N 323.396 2.306 0 40 DEAB CN(C)c1ccc(Nc2ccc3nnc(C(F)(F)F)n3n2)cn1 12999173 BGEFNEWTZVCUTF-UHFFFAOYSA-N 323.282 2.348 0 40 DEAB O=C(O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 13027813 PHPLNUKANPATDN-VIFPVBQESA-N 324.185 2.231 0 40 DEAB CC[n+]1nn(-c2ccccc2)c(O)c1C(=O)Nc1ccccc1 3765441 VKUIOVYFKMTLPE-UHFFFAOYSA-O 309.349 2.138 0 40 DEAB O=C([C@@H]1CCCCN1C(=O)COC1CCCCC1)N1CCCC1 63449772 NAEXVRLWCIRDMI-INIZCTEOSA-N 322.449 2.339 0 40 DEAB NC(=O)[C@H]1CN(Cc2ccc(-c3cccc(F)c3)s2)CCO1 92735879 BEZWYCMMWIHNKO-CQSZACIVSA-N 320.389 2.240 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](N3CCNC3=O)C2)s1 64373491 QEDMSHXEAHPJQY-YBJDMEARSA-N 319.430 2.086 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)N2c3ccccc3C[C@H]2C)n1 5074903 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DLWNXIQDYVUCAE-UHFFFAOYSA-N 310.350 2.363 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)c2cccs2)CC1 95949273 DXZWWRPDIUFMSC-UHFFFAOYSA-N 318.446 2.313 0 40 DEAB CCOc1ccc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)cc1OC 89267902 HLPSUGLHAXYIBX-BBRMVZONSA-N 320.433 2.440 0 40 DEAB CN(C)c1ncncc1NC(=O)Cc1c[nH]c2ccc(F)cc12 89322912 IYNSQXYBZAYGSM-UHFFFAOYSA-N 313.336 2.344 0 40 DEAB COCCN(C)[C@H](C(=O)OC)c1ccc(Br)cc1 75140759 GJZBOIGBWCEIJP-LBPRGKRZSA-N 316.195 2.241 0 40 DEAB Cn1ccc(C(=O)N[C@H]2CCCC[C@@H]2OC2CCCC2)cc1=O 89858529 JSFZUIUBZLIWHU-HOTGVXAUSA-N 318.417 2.386 0 40 DEAB CCCCOc1ccccc1-c1n[nH]c(SCC(N)=O)n1 26505537 ZUCQKKLFUMCZSM-UHFFFAOYSA-N 306.391 2.228 0 40 DEAB O=C(O)c1cccc(-c2cccc(Cn3ccc(O)nc3=O)c2)c1 516473734 WHSSZWONGITPIZ-UHFFFAOYSA-N 322.320 2.362 0 40 DEAB Cc1ccnn1CC(=O)Nc1nn(CC(F)F)c2ccccc12 1518815215 PMBXYIKZNNDHQO-UHFFFAOYSA-N 319.315 2.445 0 40 DEAB C[C@@H]1C[C@H](Nc2ccc(OCC(F)(F)C(F)F)nc2)C(=O)O1 79030724 CINGVQJERSWHQB-APPZFPTMSA-N 322.258 2.477 0 40 DEAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)CN[C@H](CO)c1ccccc1 183771641 QNCDNLMZDLPLEN-OIISXLGYSA-N 304.434 2.347 0 40 DEAB CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1cccs1 72238138 FPYLULJBMJOQED-WFASDCNBSA-N 324.446 2.200 0 40 DEAB CC(C)(C)c1ccc(OCc2ncc(CC(=O)O)c(=O)[nH]2)cc1 217385646 ACQBIECDQXNUIO-UHFFFAOYSA-N 316.357 2.274 0 40 DEAB CC(C)c1cc(C(=O)N[C@H]2C[C@@H](Nc3ncc(F)cn3)C2)on1 1059723250 YQNKBYGNYAPVQR-PHIMTYICSA-N 319.340 2.100 0 40 DEAB Cc1ncccc1Oc1cncc([C@@H]2CCCN2CC(=O)O)n1 72367515 NVDACCAPMOTCCA-ZDUSSCGKSA-N 314.345 2.194 0 40 DEAB Cc1c(C(=O)OCCNc2cccnn2)cnn1-c1ccccc1 86016140 GLGBEVZZCMCONR-UHFFFAOYSA-N 323.356 2.240 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224899881 NTJNZFWYSFJYAJ-UHFFFAOYSA-N 316.448 2.397 0 40 DEAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2cnn3C2CCNCC2)C1 228923265 PADNVIDOLHOIIB-CHWSQXEVSA-N 314.437 2.233 0 40 DEAB Cc1cc(S(=O)(=O)N(C)c2nncs2)sc1Cl 191557600 YKUCKFHEWSCVQX-UHFFFAOYSA-N 309.825 2.387 0 40 DEAB Cc1ccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)NC3CCC3)C2)cc1 96253075 AEAMQYYVSOLXOV-FGTMMUONSA-N 314.429 2.253 0 40 DEAB COC[C@H](C)N1CCN(c2ncccc2C(F)(F)F)CC1 96429401 BIBYOCXSPXELON-NSHDSACASA-N 303.328 2.257 0 40 DEAB c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccoc2)c1 96042112 QQRTWOXFNNNPDD-YESZJQIVSA-N 300.358 2.485 0 40 DEAB Cc1cc(CNC(=O)N2CCOC[C@H]2c2nc(C)cs2)on1 97102791 NQBVVVGHUHNDNF-LBPRGKRZSA-N 322.390 2.031 0 40 DEAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)no1 96107250 VQGOQCPSTMXYCJ-PBHICJAKSA-N 320.389 2.173 0 40 DEAB Cc1nnc(O)c(C(=O)NCC2(c3cccc(F)c3)CC2)c1C 96416690 QCNPEXHWULMQKB-UHFFFAOYSA-N 315.348 2.400 0 40 DEAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)NC2CCC2)C1 96253113 LGGNHPYZFWCDEO-FGTMMUONSA-N 314.429 2.253 0 40 DEAB Cc1ccc(C)c(CC(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1 96426686 XEHKJCBHRZXGJO-NVXWUHKLSA-N 314.429 2.173 0 40 DEAB CNC(=O)N[C@@H]1CC2(CCN(C(C)=O)CC2)c2ccc(C)cc21 96241803 XPGBSJGHYXTVKY-MRXNPFEDSA-N 315.417 2.249 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)c2ccccc21 249038867 UEXPNDBYLSXRJQ-CHWSQXEVSA-N 324.446 2.197 0 40 DEAB CNc1cncc([C@@H]2CCCN2S(=O)(=O)c2cccs2)n1 257213425 CHNQTDJWSQFWEZ-NSHDSACASA-N 324.431 2.106 0 40 DEAB Cc1cc([C@H]2CN(C(=O)c3ccsc3)CCO2)nc(C)n1 257208757 BNMMHBCRHQWRJV-CQSZACIVSA-N 303.387 2.369 0 40 DEAB Cc1cc([C@H]2CN(C(=O)Cc3ccsc3)CCO2)nc(C)n1 257283926 PAMXMCWTOZOXCJ-OAHLLOKOSA-N 317.414 2.298 0 40 DEAB Cc1cnc2n1C[C@@H](c1ccccc1)N(C(=O)Cn1cccn1)C2 257341932 ZMMBAEIJAQMZPZ-INIZCTEOSA-N 321.384 2.172 0 40 DEAB CCCNC(=O)CCCn1cc(COc2ccccc2)nn1 252478604 AQFIEVCJRJVHOT-UHFFFAOYSA-N 302.378 2.164 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1 257219073 DFMPDCWPDLCYJK-AWEZNQCLSA-N 313.405 2.332 0 40 DEAB CC[C@H](C)[C@H](CO)NC(=O)c1ccc2ccn(CCOC)c2c1 575443542 OEHZKACLULQJSN-BBRMVZONSA-N 318.417 2.425 0 40 DEAB CCOC(=O)N1CCN(c2nc3ccccc3nc2C)CC1 29401319 WIIRXPLUMRFIMJ-UHFFFAOYSA-N 300.362 2.217 0 40 DEAB O=C(/C=C/c1cccc2cccnc12)NCC(=O)N1CCCCC1 69697791 FWZSADGZZXXZJX-MDZDMXLPSA-N 323.396 2.377 0 40 DEAB O=C(NCC1(N2CCOCC2)CCC1)c1ccc(Cl)cc1 1776008283 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Cc1cc(C)cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1 414524 OMYKCVMQLWLVJP-UHFFFAOYSA-N 322.372 2.178 0 40 DEAB COc1cc2c(cc1O)CCN(C(=O)CN1CCCCC1)[C@@H]2C 525714 DADSJLKUDGBBOX-CYBMUJFWSA-N 318.417 2.332 0 40 DEAB biogenic COc1ccc2ccccc2c1CNC(=O)N1CCOCC1 78404669 JPFZDAPTFYCOOF-UHFFFAOYSA-N 300.358 2.390 0 40 DEAB CC(C)OCCS(=O)(=O)c1ncc(-c2ccccc2)n1C 78987305 XPTRCPUQYGQUGG-UHFFFAOYSA-N 308.403 2.286 0 40 DEAB COc1ccc(C(=O)NC[C@@H](O)C(C)(C)C)cc1OC(F)F 79111441 UXTICNMRYOAPKL-GFCCVEGCSA-N 317.332 2.433 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H]1C[C@H]2CC[C@@H]1C2 4030795 XNCHKOACOVXTQK-DMDPSCGWSA-N 308.403 2.017 0 40 DEAB CC(C)CNC(=O)[C@H]1CCCN(C(=O)NCc2ccccc2)C1 4965585 QXOXVRYPNOBJQX-INIZCTEOSA-N 317.433 2.380 0 40 DEAB CC(C)c1n[nH]c(SCCN2C(=O)c3ccccc3C2=O)n1 6459481 URZIREXYJQIKIA-UHFFFAOYSA-N 316.386 2.316 0 40 DEAB Cc1ccsc1CN(C)[C@H](C)c1nc(N)nc(N(C)C)n1 23640313 ANBUPYVRQUVLBI-SNVBAGLBSA-N 306.439 2.083 0 40 DEAB Cc1cc(C)cc(N2CC[C@H](C(=O)NCc3cccnc3)C2=O)c1 34676088 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O=C(COC(=O)c1cnccn1)Nc1ccc(F)c(Cl)c1 3315448 LYHKXUZDCACBTH-UHFFFAOYSA-N 309.684 2.065 0 40 DEAB O=C(C1CC1)N1CCC(C(=O)N2CCC[C@H]2c2ccc[nH]2)CC1 48366614 ORSQYMZBSYDZMM-INIZCTEOSA-N 315.417 2.327 0 40 DEAB COc1cc(/C=C/C(=O)OCC(=O)NC2CCCC2)ccc1O 3432572 RRHPHBUSEYBZOD-VQHVLOKHSA-N 319.357 2.016 0 40 DEAB CCn1c(S[C@H]2CCCCNC2=O)nc2ccsc2c1=O 13005130 DXGLIPDXEQKYDO-JTQLQIEISA-N 323.443 2.239 0 40 DEAB O=C1Nc2ccccc2Oc2c(OS(=O)(=O)O)cccc21 77313125 BQDIANYAWKOFHE-UHFFFAOYSA-N 307.283 2.226 0 40 DEAB in-vitro CCCc1nc(C)c(C(=O)N2CCC[C@H](n3cncn3)C2)s1 72272142 HZCCNWCLIVJSAD-LBPRGKRZSA-N 319.434 2.473 0 40 DEAB CCCN(C(=O)c1ccn(C)c(=O)c1)[C@@H]1C[C@H](OCC)C1(C)C 72293419 LQPXCSSLMRMFNL-CABCVRRESA-N 320.433 2.441 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](NC(C)=O)C(C)C 39983216 HSMNYKCFNWIEIY-MLGOLLRUSA-N 306.406 2.342 0 40 DEAB CCOC1CCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)CC1 65493542 RZNGRXREUMCMOJ-UHFFFAOYSA-N 316.405 2.296 0 40 DEAB Cc1c(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)cnn1C 65449519 ITMDLPQJPWGADJ-ZDUSSCGKSA-N 321.764 2.328 0 40 DEAB O=C1CCCC[C@@H]1Sc1n[nH]c(=O)n1Cc1ccccc1 14093237 KFZICUAGCIZOMD-ZDUSSCGKSA-N 303.387 2.224 0 40 DEAB O=C(C1CCC1)N1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000872 CDRRTGUGAGRAHN-CQSZACIVSA-N 313.357 2.437 0 40 DEAB COc1ccc(NC(=O)C(=O)NCc2csc(C)n2)c(C)c1 66210001 QOTIDNGAKHHBKB-UHFFFAOYSA-N 319.386 2.023 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@]1(O)CCCc2ccccc21 66931246 PXFCMRJVXPVUAK-QGZVFWFLSA-N 300.358 2.245 0 40 DEAB COc1ccc([C@@H](CNc2nccc(OC)n2)N(C)C)cc1 15114929 DRFZRWGPNMQLFG-CQSZACIVSA-N 302.378 2.209 0 40 DEAB Cc1ccc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cc1 6922849 KUJXDOHWMNZXKN-GOSISDBHSA-N 310.353 2.401 0 40 DEAB C[C@@H](CSC(C)(C)C)N[C@@H]1CCN(c2cnn(C)c2)C1=O 90017067 SPIVAJAKDUYUPD-WCQYABFASA-N 310.467 2.035 0 40 DEAB O=C(NCc1nnc2ccccn12)N[C@H]1C[C@H]1c1ccccc1 67615602 UULYSSHTNYHYOF-KBPBESRZSA-N 307.357 2.085 0 40 DEAB COc1ccc(C2(NC(=O)[C@H]3CC(=O)N(C)C3)CCCC2)cc1 67727394 XVBFPGZWWVSSMP-ZDUSSCGKSA-N 316.401 2.059 0 40 DEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCCC[C@H]1C 7486517 RLSGRPFHAIUJDK-OAHLLOKOSA-N 317.433 2.233 0 40 DEAB CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=C(C)N2CCC 15867541 CBWATXOUJDLMPG-UHFFFAOYSA-N 323.418 2.164 0 40 DEAB CNC(=O)CC1CCN(C(=O)N[C@@H](C)Cc2ccsc2)CC1 80665273 LYVVPVMFLUSCSZ-LBPRGKRZSA-N 323.462 2.237 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NCCCOC[C@H]1CCCO1 84022838 PIPFTXLWDJATSU-CYBMUJFWSA-N 310.394 2.422 0 40 DEAB O=C(Nc1cccnc1)[C@H]1CCCN1C(=O)c1cccs1 7781051 CXQLEPACEIJHIF-GFCCVEGCSA-N 301.371 2.386 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)c1ccccc1-n1cnnn1 69042089 BTLAHHALIXDHMP-UHFFFAOYSA-N 311.320 2.074 0 40 DEAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1 8258708 XRIHBYVTJHKYEM-LBPRGKRZSA-N 314.341 2.426 0 40 DEAB COc1ccc(OC)c(NC(=O)NCCN2CCCCC2)c1 17031570 HKVNTJJAGANREA-UHFFFAOYSA-N 307.394 2.311 0 40 DEAB CCN1CCc2ccc(NC(=O)NC3CCN(C)CC3)cc21 71795662 SVNMISHJGWOCTM-UHFFFAOYSA-N 302.422 2.285 0 40 DEAB CN1CCO[C@@H](CNCc2ccccc2OC(F)(F)F)C1 69581341 SIUPBPSBFBPAAW-LBPRGKRZSA-N 304.312 2.005 0 40 DEAB O=C(Nc1ncn(Cc2cccnc2)n1)c1ccc2c(c1)CCC2 69535842 PAKOJMGQJLDSIO-UHFFFAOYSA-N 319.368 2.462 0 40 DEAB C[C@@H](Nc1ccc2nnc(-c3ccccc3)n2n1)c1nncn1C 69528457 FBVHIQNMCJIEEO-LLVKDONJSA-N 320.360 2.093 0 40 DEAB CN1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 69664415 VFPOZLGPDFTDQJ-OAHLLOKOSA-N 301.390 2.002 0 40 DEAB CCOC(=O)c1csc(NC(=O)Cc2c(C)noc2C)n1 69834855 ADWOCIDBIUJLIR-UHFFFAOYSA-N 309.347 2.106 0 40 DEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ncccc1O 97141351 PWYOQNXXJNKDJR-GFCCVEGCSA-N 323.356 2.201 0 40 DEAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1cccc2cc[nH]c12 95403492 AIQOOAMYSMMXSH-ZDUSSCGKSA-N 317.414 2.161 0 40 DEAB Cc1nc(C(=O)NC[C@H]2[C@H]3c4ccccc4CC[C@H]32)c(=O)[nH]c1C 95450243 RCUOILGOLOYOJA-XHSDSOJGSA-N 323.396 2.093 0 40 DEAB CCCc1nnc(N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)s1 95418467 ROIKHFOESOOVTJ-RYUDHWBXSA-N 311.451 2.247 0 40 DEAB COC(=O)[C@H](c1cccnc1)N(C)CCOc1ccc(F)cc1 89346358 ZOEJTUCZGUDQDG-INIZCTEOSA-N 318.348 2.446 0 40 DEAB COC(=O)C[C@H]1CN(c2ccnc3c(C)cccc23)CCO1 89689029 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Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2cnccn2)C1 72369390 XMUFDBMWZOWDQJ-AWEZNQCLSA-N 314.389 2.420 0 40 DEAB CN(Cc1ccc(N)nc1)c1ncnc2c1cnn2C(C)(C)C 127123208 FCMHTIRHBLFOFW-UHFFFAOYSA-N 311.393 2.195 0 40 DEAB CC(C)N(C[C@H]1CCCN1Cc1ccccc1)C(=O)[C@H](C)N 79404496 KIXPNYBZEYDUPB-DOTOQJQBSA-N 303.450 2.235 0 40 DEAB COc1ccc([C@H]2[C@@H](C(=O)NC(C)C)CCC(=O)N2C)cc1 72242013 SIUBQTQRKWDDKW-HOCLYGCPSA-N 304.390 2.129 0 40 DEAB Cc1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCOCC1 226275415 RDBXBNKWWSHTOH-UHFFFAOYSA-N 302.296 2.357 0 40 DEAB COc1ccc(OCC(=O)NCCOCc2ccccc2)cc1 223368092 VJBAPIBDVOFZNG-UHFFFAOYSA-N 315.369 2.407 0 40 DEAB CCCCc1noc(C2CCN(C(=O)CCC(C)=O)CC2)n1 41123561 MOTAABWIWJJETC-UHFFFAOYSA-N 307.394 2.487 0 40 DEAB Cc1cc(CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)no1 80130402 YEKFPUDISCOOKQ-OAQYLSRUSA-N 311.338 2.181 0 40 DEAB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CC 224553247 VMIQJGZTIGPSQX-OAHLLOKOSA-N 306.406 2.349 0 40 DEAB CCn1nccc1CNc1ncnc2c1cnn2-c1ccccn1 46088336 JKIGPQBWQGNJEI-UHFFFAOYSA-N 320.360 2.039 0 40 DEAB COc1cccc(CN[C@@H]2CCCn3nc(C(C)C)nc32)n1 191308350 VTKDGQWJWKLKBS-CYBMUJFWSA-N 301.394 2.430 0 40 DEAB CCCc1noc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 41122443 XIJZLTQBIPWNMN-LBPRGKRZSA-N 300.362 2.437 0 40 DEAB CN1Cc2ncn(CC3CC3)c2[C@@H](COCC2CCOCC2)C1 96045169 HVPRNOWWUJVPDP-MRXNPFEDSA-N 319.449 2.265 0 40 DEAB CCc1ccc(CNC(=O)CN2CCO[C@H]3CCC[C@H]32)s1 230082208 TXEZUVRLPRDIKO-CABCVRRESA-N 308.447 2.180 0 40 DEAB O=C(CCn1cccn1)N[C@@H]1CCCOc2cc(F)ccc21 96495283 WQDCSKWIRJZLPH-CQSZACIVSA-N 303.337 2.442 0 40 DEAB CC(C)(C)c1ncsc1C(=O)NCCc1nncn1C1CC1 96446300 CYWCQHVQLHTAEN-UHFFFAOYSA-N 319.434 2.340 0 40 DEAB O=C(NCCOC[C@@H]1CCCO1)NC[C@@H]1C[C@H]1c1ccccc1 96406869 QGPHSPPFCIIZSC-ULQDDVLXSA-N 318.417 2.285 0 40 DEAB O=C([C@@H]1CN(Cc2ccsc2)C[C@H]2OCC[C@H]21)N1CCCC1 96038862 RDCPTJIUZLBWMQ-ARFHVFGLSA-N 320.458 2.207 0 40 DEAB CCC(CC)CNC[C@H]1Cn2nnc(-c3ccoc3)c2CO1 96199220 XGERPZKAXVZCMW-AWEZNQCLSA-N 304.394 2.463 0 40 DEAB CN(C)C(=O)NCc1ccc(OC(F)(F)F)cc1C(=O)O 95486400 QRENQGSULAOHNO-UHFFFAOYSA-N 306.240 2.055 0 40 DEAB CCO[C@H](C)c1noc(Cn2cc(NC(=O)C(C)(C)C)cn2)n1 96435624 JCAKCNAIKYOYDA-SNVBAGLBSA-N 321.381 2.397 0 40 DEAB Cc1nn(C)c(C)c1-c1noc(CCNC(=O)OC(C)(C)C)n1 95095295 WXYAEFZRDQQEPO-UHFFFAOYSA-N 321.381 2.154 0 40 DEAB CCn1nccc1CN1CCN(CC(F)(F)F)CC1(C)C 97377005 OLEFSVFKTJLLSO-UHFFFAOYSA-N 304.360 2.362 0 40 DEAB COC[C@@H](O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 96407793 YUQPEQAFOBFOBX-UONOGXRCSA-N 301.839 2.437 0 40 DEAB COCCN1CCN(C(=O)c2ccsc2)Cc2cccnc21 96060932 VVVNYVBILNYPJO-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc(C(C)C)no2)n1 257258961 KWFOLVNCEOIOQH-LBPRGKRZSA-N 304.350 2.043 0 40 DEAB CCCn1ccc(C(=O)N2CCO[C@@H](c3ccc(C)cn3)C2)n1 257300150 RTDCZHQRFUBWQS-MRXNPFEDSA-N 314.389 2.210 0 40 DEAB O=C(c1ccncc1)N1CCC(c2ccnc3ccnn23)CC1 257265626 LZNLCWDMKGQHBY-UHFFFAOYSA-N 307.357 2.144 0 40 DEAB Cc1cc(C)n2ncc(CN3CCC[C@@H]3c3ccncn3)c2n1 257224662 FCUBCWBTJKZFHT-MRXNPFEDSA-N 308.389 2.473 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCCN(Cc2cnc[nH]2)C1 585273234 BFQCDPZDLRZVRN-QGZVFWFLSA-N 301.390 2.124 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NC[C@@H]1COCCO1 57080526 JBLIEZDQRXDDCB-TZMCWYRMSA-N 322.405 2.316 0 40 DEAB Cc1nccc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)n1 75120673 VQHMUJLIKQVEKJ-UHFFFAOYSA-N 320.352 2.070 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@@H]1C[C@@H](O)c1ccco1 108106277 XBXFOBLWDFLHNI-KJWHEZOQSA-N 320.389 2.197 0 40 DEAB CCN(CC)CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F 79311065 TZQQLHZCUJIOKR-NSHDSACASA-N 312.385 2.362 0 40 DEAB Cc1nc(-c2cnn(C)c2)sc1C(=O)NCC[C@H]1CCCO1 79361423 HELZOLRQRLVLER-GFCCVEGCSA-N 320.418 2.151 0 40 DEAB Cn1cc(CNCCNc2cccc(Br)c2)cn1 97048128 UXBSGGULBSNLCB-UHFFFAOYSA-N 309.211 2.384 0 40 DEAB C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)NCCc1nnc2n1CCC2 86428417 BNKNPVINRJRWRV-OLZOCXBDSA-N 319.453 2.281 0 40 DEAB C[C@@H](CNc1cncc(Br)c1)CN1CCOCC1 78295346 XNAJSSCBONUHTC-NSHDSACASA-N 314.227 2.224 0 40 DEAB Cc1nccc([C@H]2CCCN(CC(=O)Nc3nccs3)C2)n1 585145868 NNBOTMNBWHLUOR-LBPRGKRZSA-N 317.418 2.060 0 40 DEAB Brc1cnc(OC2CCN(CC3CC3)CC2)nc1 1201932873 YYDVVPSCBSUKIP-UHFFFAOYSA-N 312.211 2.492 0 40 DEAB CCn1cc(/C=C/C(=O)Nc2cnn(CC(F)(F)F)c2)cn1 2739524 QSGWBICQNVHMLW-ONEGZZNKSA-N 313.283 2.314 0 40 DEAB C[C@](O)(CNC(=O)NC1CCOCC1)c1cc2ccccc2o1 225559360 CFGNTFNGKHRPGW-KRWDZBQOSA-N 318.373 2.119 0 40 DEAB COCc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1 5085338 BSIQYLPTTGLDCO-LBPRGKRZSA-N 317.341 2.288 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccn(C)n1 22475737 KGENARQADKOANR-UHFFFAOYSA-N 323.356 2.044 0 40 DEAB O=C(c1cnco1)N1CC[C@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056225033 WROAOUKWGBWVKV-MGPLVRAMSA-N 315.304 2.057 0 40 DEAB O=C(c1nc(-c2cnccn2)no1)N1CCCc2ccccc21 44122414 JCRVWXNBLWTCRS-UHFFFAOYSA-N 307.313 2.120 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](CN1C(=O)COC1=O)c1ccccc1 575605969 FLSPGNGKZZCTEH-LBPRGKRZSA-N 320.345 2.231 0 40 DEAB O=C(NCCNc1ncnc2sccc12)c1ccc(O)cc1 40119610 JVARSYDEEQOMOZ-UHFFFAOYSA-N 314.370 2.239 0 40 DEAB Cc1nc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)sc1C 40497548 TZCJSTBCCZZHRZ-GFCCVEGCSA-N 317.418 2.405 0 40 DEAB C[C@]1(c2ccco2)NC(=O)N(CCOc2cccc(F)c2)C1=O 32330035 OKRLEMJPBADRQQ-MRXNPFEDSA-N 318.304 2.265 0 40 DEAB Cc1nnc(CN2CCC(OCc3ccccc3)CC2)n1C 52314261 NKVCXBZVALDSEO-UHFFFAOYSA-N 300.406 2.305 0 40 DEAB C[C@H]1CCC[C@@H](NC(=O)C2CCN(Cc3nccn3C)CC2)C1 52493236 KSTXSOXLLUPZEU-GOEBONIOSA-N 318.465 2.327 0 40 DEAB O=C(Oc1cccc2cccnc12)c1cccc(-n2cnnn2)c1 411649 PDSMWMOYSRDESA-UHFFFAOYSA-N 317.308 2.430 0 40 DEAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN1CCOCC1 2742349 GLMRUNBCQBTUSU-VIFPVBQESA-N 319.188 2.124 0 40 DEAB COCCOc1ccc(CNC(=O)N2CCC[C@H](C)C2)cn1 46819153 CUZBDMDXLLXULZ-ZDUSSCGKSA-N 307.394 2.048 0 40 DEAB Cc1nnc(SCC(=O)N2CCCC2)n1Cc1ccccc1 1355753 JKBYTHBCPRPPLK-UHFFFAOYSA-N 316.430 2.349 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)NCCc2csc(C)n2)o1 78940380 GHONTSWDWLZLPY-HNNXBMFYSA-N 323.418 2.102 0 40 DEAB CCCn1nc2c(cc1=O)CN(c1cnc3ccccc3n1)CC2 78931393 HZHBPYQCYORYLW-UHFFFAOYSA-N 321.384 2.159 0 40 DEAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(N)=O)c1ccccc1 22688683 LKVOPEWEWJLDPX-XJKSGUPXSA-N 311.385 2.143 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2F)cn1 47224123 WDGHENIOAUMBLJ-UHFFFAOYSA-N 322.361 2.196 0 40 DEAB CSc1nnc(C)n1NC(=O)COc1cccc(C)c1C 107553366 PNKCNTSRZXLRBY-UHFFFAOYSA-N 306.391 2.074 0 40 DEAB COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1 8685989 JRPDWMDOCJKOFA-VHSXEESVSA-N 307.396 2.463 0 40 DEAB Cc1c(NCC(=O)N2CCCCCCC2)cccc1C(N)=O 55839230 HZSKUMYBBWUXEW-UHFFFAOYSA-N 303.406 2.299 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)CNC(=O)NCc2ccco2)s1 56176975 COKPRNIOHSAXMI-LLVKDONJSA-N 321.402 2.326 0 40 DEAB CCN(CC)C(=O)Cn1cnc2c(sc3ccccc32)c1=O 57507887 GZFUSUNOSPRPOW-UHFFFAOYSA-N 315.398 2.480 0 40 DEAB COc1ccc([C@H](C)NC(=O)N[C@@H](C)Cn2cccn2)cc1F 48173642 FJFVYGRXXRYPOI-RYUDHWBXSA-N 320.368 2.480 0 40 DEAB Cc1noc(C)c1NC(=O)COc1ccc2c(c1)CCC(=O)N2 58048795 SLGXBYSFKYJZHB-UHFFFAOYSA-N 315.329 2.194 0 40 DEAB CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@@H](c2ccccc2)C1 44858364 KSOFQABOANWRTO-QGZVFWFLSA-N 310.401 2.416 0 40 DEAB COC[C@@H](C)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 58407536 OEFYRIRTSWSSRE-CYBMUJFWSA-N 313.401 2.468 0 40 DEAB CCn1c(=O)n(CC(=O)NCc2ccc(C)cc2)c2ccccc21 10748773 SWCFKZBCOLBQHA-UHFFFAOYSA-N 323.396 2.448 0 40 DEAB Cc1cccc2sc(NC(=O)c3nc4ncccn4n3)nc12 36618786 LENQRAXRQCGANI-UHFFFAOYSA-N 310.342 2.295 0 40 DEAB Cc1nc(CN(C)C(=O)Nc2ccc(F)c(C(N)=O)c2)cs1 65408585 SNXIYHXQBKHECJ-UHFFFAOYSA-N 322.365 2.353 0 40 DEAB C[C@@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 36735568 TYUVQSSBIKHVML-ZDUSSCGKSA-N 307.357 2.196 0 40 DEAB Nc1nc(CN2CCN(C3CCCC3)CC2)nc2ccccc12 45768459 BQFKYQBJDOJSGX-UHFFFAOYSA-N 311.433 2.272 0 40 DEAB COc1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cn1 11759972 MIKUDEUHHBVNCF-UHFFFAOYSA-N 310.357 2.329 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)NCc1ccnc(N(C)C)c1 46285561 KOEKHRILSUKCJQ-ZDUSSCGKSA-N 313.405 2.236 0 40 DEAB COc1ccc(-c2csc(NC(=O)CCNC(C)=O)n2)cc1 2628381 VHZRXJJUKICWIG-UHFFFAOYSA-N 319.386 2.283 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 3453260 FAVDFRUBYDHMBQ-UHFFFAOYSA-N 322.361 2.263 0 40 DEAB Cc1cc(C)c(OCC(=O)N2CCC(C(=O)O)CC2)c(C)c1 13167193 WHGIVGCGEKYGNO-UHFFFAOYSA-N 305.374 2.314 0 40 DEAB O=C(NCCCN1CCc2ccccc2C1)NCC(F)(F)F 49208602 DBTMLJSKOPOHOH-UHFFFAOYSA-N 315.339 2.296 0 40 DEAB COc1ccc(CCNC(=O)c2sc(=S)n(C)c2N)cc1 4295358 ZZFFPSIOODLYOM-UHFFFAOYSA-N 323.443 2.379 0 40 DEAB O=C(Cn1ccc(C(F)(F)F)n1)NCCOc1ccccc1 49984506 KXFHXZHENHCMRO-UHFFFAOYSA-N 313.279 2.097 0 40 DEAB Cc1nn(C)c(Cl)c1CNC[C@@H](O)c1ccc(F)c(F)c1 65463607 PIOTTXQFZCMYCC-CYBMUJFWSA-N 315.751 2.483 0 40 DEAB C[C@H](CCc1ccco1)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 90115979 AJVUUMTZESNQJS-UKRRQHHQSA-N 316.405 2.119 0 40 DEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCC(C)CC1 7446797 FXPMHNJTTXMXPL-UHFFFAOYSA-N 317.433 2.090 0 40 DEAB C[C@H]1CN(CCCN2CCOC2=O)C[C@H](c2ccccc2)O1 68334040 NOMWZCFYSAILBI-GOEBONIOSA-N 304.390 2.291 0 40 DEAB CCCNC(=O)CN(C)C(=O)c1ccc2cc(OC)ccc2c1 7989363 OSJNUWIWWZRZGT-UHFFFAOYSA-N 314.385 2.447 0 40 DEAB CN1CCC[C@H](CSc2nc3ccsc3c(=O)n2C)C1 70021372 ULTWOOYTXJRVLM-JTQLQIEISA-N 309.460 2.429 0 40 DEAB O=C(Nc1nc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(O)nc1 69594042 UQLGOUVMYPMOJI-UHFFFAOYSA-N 315.720 2.478 0 40 DEAB O=C(NCC(F)(F)F)[C@@H]1CCCN1Cc1ccnc(Cl)c1 71850015 MBXXZAPFGKLXDF-JTQLQIEISA-N 321.730 2.378 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)Nc2nc(C)cs2)c1 69841504 OBRIAGLJEZRAED-NEPJUHHUSA-N 307.423 2.134 0 40 DEAB Cc1oc(C)c(C(=O)N2CCN(C[C@H](O)C(C)(C)C)CC2)c1C 69952192 YKDDKVURJHRLBS-HNNXBMFYSA-N 322.449 2.370 0 40 DEAB COc1c(C)cnc(CNC(=O)NC2CCSCC2)c1C 69918339 DECJMFFSHIRLCE-UHFFFAOYSA-N 309.435 2.402 0 40 DEAB Cc1ccc(CC(=O)N2CCCN(c3cccnn3)CC2)s1 69948883 WDIFVQMWRWQYOV-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB CCn1c(C)nnc1S[C@H](Cc1ccccc1)C(=O)NC 97371752 HAQIJMUFJCQTJB-CYBMUJFWSA-N 304.419 2.056 0 40 DEAB O=C(CCn1cncn1)N[C@H]1CCCC[C@@H]1Oc1ccccc1 95396735 OFNBVUISECRLPW-HOTGVXAUSA-N 314.389 2.175 0 40 DEAB Cc1csc(C2(NC(=O)[C@H]3CCC(=O)N3)CCCCCC2)n1 95398852 TWRMYXRHCPUOJU-GFCCVEGCSA-N 321.446 2.396 0 40 DEAB COCc1noc(CN(C)CCCOc2ccccc2C)n1 95464571 ZMJDCTXOSYWDER-UHFFFAOYSA-N 305.378 2.425 0 40 DEAB CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccnn2C)cc1 95420179 OPPCBBMPOZRWOC-LBPRGKRZSA-N 322.434 2.033 0 40 DEAB Cn1cnnc1-c1ccccc1NS(=O)(=O)CC1CCC1 95973831 XPCUHBAAWWVKRB-UHFFFAOYSA-N 306.391 2.024 0 40 DEAB Cc1cc(C)n(C2CN(Cc3cccc(C(=O)N(C)C)c3)C2)n1 75133606 HFIHSMWVLFLCTN-UHFFFAOYSA-N 312.417 2.259 0 40 DEAB Cc1csc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)n1 89705579 TUWCACWMFSSQRX-LBPRGKRZSA-N 301.371 2.115 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 89938716 YTGHBMWOWKXXAU-GFCCVEGCSA-N 318.808 2.302 0 40 DEAB COC[C@H](CC(C)C)OC(=O)c1cccc(-n2cccn2)n1 76018344 VNYWMKHSIJKZIP-ZDUSSCGKSA-N 303.362 2.485 0 40 DEAB CN1N=C(C(=O)NCC2(Sc3ccccc3)CC2)CCC1=O 68215656 BKFANGXJMFJICD-UHFFFAOYSA-N 317.414 2.036 0 40 DEAB O=C(O)c1ccc(-c2ccc([C@@H]3NC[C@H](C(=O)O)S3)o2)cc1 408980745 XBIFKUWZXYWJIJ-CHWSQXEVSA-N 319.338 2.433 0 40 DEAB Cc1cc2c(cc1S(=O)(=O)Nc1ccccc1)OCC(=O)N2 21108471 QEAQKNZIVGGUCC-UHFFFAOYSA-N 318.354 2.127 0 40 DEAB COc1cccc(-c2cc(N3CCC[C@H](C(=O)O)C3)ncn2)c1 32918482 KWNDEEKVHQIWPZ-ZDUSSCGKSA-N 313.357 2.453 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)N(C)Cc1ccc(F)cc1Cl 78656240 OUIYKPDTCLASRK-CQSZACIVSA-N 312.772 2.448 0 40 DEAB COc1cc(Cl)ccc1C(=O)NCCc1nncn1C1CC1 78913422 HVLPSSXYZDFXFU-UHFFFAOYSA-N 320.780 2.248 0 40 DEAB CC[C@H](CCc1ccccc1)NS(=O)(=O)C[C@H]1CCCCN1 1573699051 JFAPCUFIZMOTPU-IAGOWNOFSA-N 324.490 2.459 0 40 DEAB NC(=O)COc1cccc(C[S@](=O)Cc2ccc(F)cc2)c1 78556233 NNBUJHBPCWWTOL-QFIPXVFZSA-N 321.373 2.139 0 40 DEAB CCCCNC(=O)C(=O)Nc1ccc(Br)cc1F 42645869 HJHHBKZWAFCFSV-UHFFFAOYSA-N 317.158 2.443 0 40 DEAB COCCCNC(=S)Nc1cc(C)c(Br)cn1 223888517 IBXFAROXBHVRBN-UHFFFAOYSA-N 318.240 2.475 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)C(F)(F)F)cc1Cl 42417427 KNDSWWRKMGOYQN-UHFFFAOYSA-N 303.645 2.300 0 40 DEAB Cc1nc(-c2nnsc2C(=O)OCc2cccnc2)co1 223861751 DPQLJZLDGGIPET-UHFFFAOYSA-N 302.315 2.254 0 40 DEAB O=C(Cc1ccc(F)cc1)NCc1nccc(N2CCCC2)n1 224152018 PKTHIJMBSNECRU-UHFFFAOYSA-N 314.364 2.075 0 40 DEAB CCc1c(C(=O)O[C@H](C)C(N)=O)cnn1-c1ccccc1Cl 192135142 HCYOSGODRIGQPN-SECBINFHSA-N 321.764 2.119 0 40 DEAB c1cc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cnnc2)cs1 96055363 VMFXRCQVUDEANT-QLFBSQMISA-N 304.419 2.019 0 40 DEAB CCc1cnc(N2CC3(CCN(Cc4ccncc4)C3)C2)nc1 96202546 JCTCQEYFWNKELB-UHFFFAOYSA-N 309.417 2.146 0 40 DEAB COCCN(Cc1ccccn1)c1nc(N)c2ccccc2n1 95449310 LXAUOHVRPUPSQD-UHFFFAOYSA-N 309.373 2.260 0 40 DEAB C[C@@H](CNC(=O)c1ccc(N(C)C)cc1F)Cn1cccn1 96483604 MNRFMGSLKUQSJY-LBPRGKRZSA-N 304.369 2.154 0 40 DEAB CCN(CC)C(=O)c1ccc(OCc2nnc(C)n2C)cc1 96502911 QGVVXRJNUGJLMJ-UHFFFAOYSA-N 302.378 2.185 0 40 DEAB Cc1cc(C(=O)N2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)on1 96107274 UCNGGIMUPYISEV-PBHICJAKSA-N 320.389 2.173 0 40 DEAB Cc1cc(C)c2c(c1)[C@H](NS(=O)(=O)Cc1ccon1)CCO2 95402872 JYDKXCJJLNDKNZ-CQSZACIVSA-N 322.386 2.235 0 40 DEAB O=C(N[C@H](CO)Cc1ccccc1)[C@H]1OCCc2ccccc21 96487691 ZLKGGTJJHPWQTL-WMZOPIPTSA-N 311.381 2.020 0 40 DEAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)c1cc2ccccc2[nH]1 257280380 OKPQFWNMMYJMMU-OAHLLOKOSA-N 310.357 2.413 0 40 DEAB C[C@@H]1CCSCCN1CC(O)CN1CCSCC[C@H]1C 390834608 IBBJUSIRPKMSKD-ZIAGYGMSSA-N 318.552 2.002 0 40 DEAB Cc1nc(CN2C[C@H]3CN(C(=O)C4CC(F)C4)C[C@H]3C2)cs1 585107620 ZLVHONYVWYDWAV-AKJUYKBHSA-N 323.437 2.090 0 40 DEAB O[C@H](COCc1ccco1)CN1CCOc2ccccc2C1 69323146 SMKVLASOWMGRJJ-HNNXBMFYSA-N 303.358 2.052 0 40 DEAB O=C(N1CCCn2ncnc21)C1(c2cccc(F)c2)CCC1 71839408 DUISFNVPDLFLRM-UHFFFAOYSA-N 300.337 2.276 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)cc1 50444908 VJJMWRZTIFXOFP-OAHLLOKOSA-N 300.402 2.055 0 40 DEAB C[C@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 96010157 NTHBSMVDEOHDJH-MRVPVSSYSA-N 301.177 2.045 0 40 DEAB C[C@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)Oc1cccc(F)c1 97232304 YVEQCHBOYBIXIQ-HWPZZCPQSA-N 306.337 2.314 0 40 DEAB Cc1ccc(Cl)c(OC[C@H](O)CN2CCc3n[nH]cc3C2)c1 97373586 GJASMSFGOFTNLG-CYBMUJFWSA-N 321.808 2.170 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 103358354 YPLQOZKVKJJGQP-FRRDWIJNSA-N 303.406 2.090 0 40 DEAB COc1ccccc1CC(=O)N1CC[C@@H](Oc2nccs2)C1 585320817 UHXRQLROVFCIHD-CYBMUJFWSA-N 318.398 2.374 0 40 DEAB CC1([C@@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2)OCCO1 97372514 LLFIRWOKAWJHTK-LLVKDONJSA-N 310.781 2.350 0 40 DEAB O[C@@H]1CCCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)C1 13268319 WHVNLSVCBURTEL-CYBMUJFWSA-N 323.356 2.155 0 40 DEAB O=c1c(Br)c(O)[nH]c2ncc(Br)cc12 16383454 ZULCUSJHDPTTKO-UHFFFAOYSA-N 319.940 2.154 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CC[C@H](n2ccnn2)C1 206930470 NMAQRGBOUABRBW-JTQLQIEISA-N 308.744 2.087 0 40 DEAB CC(C)(C)n1ncn(Cc2csc([C@@H]3CCCO3)n2)c1=O 155965120 FTKBJCSARKRAHN-NSHDSACASA-N 308.407 2.156 0 40 DEAB CCc1cc(N2CCC[C@H](C(N)=O)C2)nnc1-c1ccccc1 521398410 FQNPHIJFWDJSCI-HNNXBMFYSA-N 310.401 2.408 0 40 DEAB CCc1c(C)nn2c(O)cc([C@H]3CCN(C(=O)C4CC4)C3)nc12 12276414 LVQABOVENZOLSE-LBPRGKRZSA-N 314.389 2.032 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c1 14484343 UWLAEZFJPIUQST-SECBINFHSA-N 300.314 2.437 0 40 DEAB CC(C)(O)CN1CCN(CCSC2CCCCC2)CC1 252493142 MZZDDLMJFAEVFT-UHFFFAOYSA-N 300.512 2.441 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC[C@H]([C@H](C)O)C2)sc1Cl 252507341 WIMXYZKEYFVPBV-UWVGGRQHSA-N 323.867 2.491 0 40 DEAB C[C@@H]1CC[C@H]2C(=O)N([C@@H](CC(=O)O)c3ccco3)C(=O)[C@@H]2C1 19848325 WWVINSFHAZLOQY-KKOKHZNYSA-N 305.330 2.217 0 40 DEAB CSCC[C@H](N)C(=O)N(C)Cc1nc2ccccc2s1 40464547 LJXGPEUDAOHAEZ-JTQLQIEISA-N 309.460 2.335 0 40 DEAB OCCN(CCO)c1ncnc2sc(-c3ccccc3)cc12 20320506 ZBADNDZGPVJEDL-UHFFFAOYSA-N 315.398 2.149 0 40 DEAB CCOC(=O)N[C@@H](CNC(=O)CCc1ccco1)CC(C)C 31700523 YPVKMANUHOHDFN-CYBMUJFWSA-N 310.394 2.489 0 40 DEAB Cc1cnc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cn1 21346086 JCYGJGVZKPWTGG-RAIGVLPGSA-N 305.378 2.025 0 40 DEAB COc1cc(C(=O)N[C@H](C)Cc2ccco2)cc2c1OCCO2 33207967 DFFPUFRPKWGECX-LLVKDONJSA-N 317.341 2.420 0 40 DEAB COC(=O)[C@@H](NC(=O)Nc1ccc(OC)cc1OC)C(C)C 540828 CLBANYLREHLFFM-ZDUSSCGKSA-N 310.350 2.023 0 40 DEAB CNC(=O)[C@H](CC(C)C)NCc1cnn(-c2ccc(F)cc2)c1 77403214 AAVHOIXQUQIQEL-INIZCTEOSA-N 318.396 2.262 0 40 DEAB Cc1cc(/C(O)=N/S(C)(=O)=O)c(C)n1-c1ccc(C#N)cc1 77558716 WDYHYVWBJXHVJV-UHFFFAOYSA-N 317.370 2.230 0 40 DEAB COc1ccc2c(CC(=O)N3CCC[C@H](C(=O)O)C3)coc2c1 78706081 AOHKVZIPAZDGFC-NSHDSACASA-N 317.341 2.307 0 40 DEAB COc1ccc(C)nc1NC(=O)N(C)CCCn1ccnc1C 97378620 SKTBCQSOHHNLCX-UHFFFAOYSA-N 317.393 2.458 0 40 DEAB O=C(CN1CCO[C@@H]2CCC[C@@H]21)N1CCC[C@H](C(F)(F)F)C1 79354285 ZJIAWNKMLJHXNV-RWMBFGLXSA-N 320.355 2.041 0 40 DEAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)c1ccc[n+]([O-])c1 54034403 YDHLNFKWTQEXFW-MRXNPFEDSA-N 314.341 2.130 0 40 DEAB Cn1c(C(=O)N2CCCC[C@@H]2C(=O)O)cc(Cl)c1Cl 37437249 KEVRUXLXDBNLCW-MRVPVSSYSA-N 305.161 2.411 0 40 DEAB Cc1ccccc1N[C@H]1CC(=O)N(c2cccc(C(=O)O)c2)C1=O 100856799 WLXHSYFDIBTSLK-HNNXBMFYSA-N 324.336 2.437 0 40 DEAB CCn1cc(C(=O)O[C@@H](Cn2cncn2)c2ccccc2)cn1 95397263 RPZBHONHLYGLFQ-HNNXBMFYSA-N 311.345 2.093 0 40 DEAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)c1 9453657 AQLASVBWQVOJJZ-SNVBAGLBSA-N 306.362 2.105 0 40 DEAB O=C(NCC1(N2CCSCC2)CCCC1)[C@@H]1C[C@H]2CC[C@H]1O2 107498724 VTRBOVJTSMZVDC-RBSFLKMASA-N 324.490 2.032 0 40 DEAB O=S(=O)(c1ccccc1)N1CCN(C2CCCCC2)CC1 35366117 YNOYTVKXFZAZDG-UHFFFAOYSA-N 308.447 2.326 0 40 DEAB O=C(c1nccn2ccnc12)N1CC[C@@H](c2ccccc2F)C1 95404252 GMFYXDTUDSDNSB-GFCCVEGCSA-N 310.332 2.498 0 40 DEAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1ccc2c(c1)OCCO2 62001558 AAOCWUAGGVVIAJ-HKUYNNGSSA-N 322.364 2.382 0 40 DEAB biogenic Cc1ccc(CN(CCN2C(=O)NC(C)(C)C2=O)C2CC2)cc1 27595330 JNWLHIBAMVGESY-UHFFFAOYSA-N 315.417 2.290 0 40 DEAB O=S(=O)(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc2c(c1)OCCO2 100768659 XZJXRNMNXBJFNY-JHJVBQTASA-N 323.414 2.172 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)c2cc(C)oc2C)n1 58172129 JQNODBLLVQWEBI-UHFFFAOYSA-N 301.346 2.358 0 40 DEAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2nnc3n2CCC3)o1 44895009 QYHVVIOMCZUTKS-WCQYABFASA-N 314.389 2.190 0 40 DEAB O=C1c2ccccc2CS(=O)(=O)N1Cc1cccc(F)c1 58293278 NJKZXQIRZZRPKK-UHFFFAOYSA-N 305.330 2.312 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)C[C@@H](C)O1 44914632 IEHIZFLOKVWMCD-OKILXGFUSA-N 318.421 2.001 0 40 DEAB C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1nnc2n1CCC2 58357253 SUKHUSACVFCGNX-SECBINFHSA-N 302.403 2.266 0 40 DEAB CCNC(=O)CN(CC)C(=O)c1sc(C(C)(C)C)nc1C 58378342 NFGKXLAXZKLHOE-UHFFFAOYSA-N 311.451 2.347 0 40 DEAB Cc1nc(CN2CC[C@]3(C[C@H]3C(=O)NCC3CC3)C2)cs1 107791098 XJIWPDVWFNCFOY-HOCLYGCPSA-N 305.447 2.190 0 40 DEAB O=C(NCc1ccncc1)NCc1cccc(NC(=O)C2CC2)c1 12737312 FVYCIPVBHVUHSR-UHFFFAOYSA-N 324.384 2.430 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)c1cncc(-n2cccn2)n1 48355468 WLJBMTRBSSVJHL-UHFFFAOYSA-N 309.329 2.027 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@H](c3nccs3)C2)n1 171643718 DITYRIGFUCQDKB-ZDUSSCGKSA-N 304.419 2.363 0 40 DEAB Cc1cccc(OCCCC(=O)N2CCC[C@@H](C(=O)O)C2)c1 13170706 JNCYMCXCZYBMSV-CQSZACIVSA-N 305.374 2.477 0 40 DEAB Cc1cc(S(=O)(=O)Nc2ncccn2)c(Cl)cc1F 97048782 YCKHUQWRPFFVQI-UHFFFAOYSA-N 301.730 2.378 0 40 DEAB CC(=O)O[C@H](C(=O)Nc1nncs1)c1c(F)cccc1F 4109931 OEJAZAOIHBIEIZ-JTQLQIEISA-N 313.285 2.059 0 40 DEAB O=C(COc1ccc(-c2nnco2)cc1)NCCc1ccccc1 5209280 IMRCYHDTHJJVMO-UHFFFAOYSA-N 323.352 2.474 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)c(Cl)c1 9112068 ARDSXXIRVDOWKZ-LBPRGKRZSA-N 316.810 2.011 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)c1ccc(-c2nc(C)cs2)cc1 65566523 FVURCBFJMAHZSH-LLVKDONJSA-N 317.414 2.373 0 40 DEAB COc1c(CNC(=O)[C@H](C)Oc2ccc(C)cc2)c(C)nn1C 96006953 YRUJXFOCENRZIK-ZDUSSCGKSA-N 317.389 2.129 0 40 DEAB CCN(CC)C(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 4723977 ORMUMUIPUZABPK-CYBMUJFWSA-N 312.435 2.018 0 40 DEAB O=C(Cc1ccon1)NCCOc1ncc(Cl)cc1Cl 95417381 JIDVHKGSHDVMBT-UHFFFAOYSA-N 316.144 2.114 0 40 DEAB CC(=O)N(CCc1ccccc1)CC(=O)N1C[C@H]2[C@@H](C1)C2(C)C 90421570 JJXBZIUQYCGJPC-CALCHBBNSA-N 314.429 2.192 0 40 DEAB C[C@H](NC[C@H](C)[S@](C)=O)c1cccc(N2CCOC2=O)c1 90843562 ISRHFWLOFWMTDX-QSRBQVKKSA-N 310.419 2.061 0 40 DEAB O=C(NCc1cccnc1)N1CCO[C@@H](Cc2ccccc2)C1 96493865 VHKJQOUIFDVEJN-KRWDZBQOSA-N 311.385 2.235 0 40 DEAB CC(=O)Nc1cc(C(=O)O[C@@H](C)Cn2cccn2)ccc1F 83796680 QFFGFOYCQPYTSG-JTQLQIEISA-N 305.309 2.226 0 40 DEAB CC(C)[C@H](C(=O)N[C@H]1CCc2ccccc21)N1CCCC1=O 69349340 SRRGRIONEHIFCN-DOTOQJQBSA-N 300.402 2.437 0 40 DEAB CC(C)n1ccnc1CNc1ccc(-n2cc(CO)nn2)cc1 97161613 DWJFRNUPZOYUJK-UHFFFAOYSA-N 312.377 2.149 0 40 DEAB COC(=O)c1c(NC(=S)NCc2cc[nH]n2)sc(C)c1C 17066491 MWGNAQUCUVYWNT-UHFFFAOYSA-N 324.431 2.361 0 40 DEAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1ccc(C)[nH]c1=O 69511973 RPGAKPFUBPPSAL-UHFFFAOYSA-N 323.356 2.283 0 40 DEAB C[C@@H](NC(=O)c1cccc(N2CCCS2(=O)=O)c1)C(C)(C)C 69780390 PMBBADFDYIAGLE-GFCCVEGCSA-N 324.446 2.391 0 40 DEAB Cc1ccc(C(C)(C)CNC(=O)N[C@@H](C)c2nncn2C)cc1 69777642 SZKJMMCRFDLUPF-ZDUSSCGKSA-N 315.421 2.462 0 40 DEAB CCc1nnsc1C(=O)N1CCCC[C@H]1Cn1cc(C)cn1 71865777 FDJHOBOSQKAHKC-LBPRGKRZSA-N 319.434 2.300 0 40 DEAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ncc(Cl)n1C 69842858 HQTPUFYOBGDQHN-JQWIXIFHSA-N 318.808 2.441 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)n1 69950802 MFFQGZFMLTYYNY-CYBMUJFWSA-N 311.393 2.083 0 40 DEAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 96517702 QIZMARBFSIRVIM-ZDUSSCGKSA-N 319.382 2.325 0 40 DEAB Cc1cnn(CC2CC2)c1NC(=O)N1CC[C@@]2(CCOC2)C1 97227615 NAWOSRDTOOUFOH-MRXNPFEDSA-N 304.394 2.246 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCN([C@H]2CCCSC2)CC1 95457037 WXSSCSRPMZSDCY-LBPRGKRZSA-N 313.854 2.322 0 40 DEAB O=C(NCc1ccccc1OCC1CC1)NC[C@@H](O)C1CC1 95960829 YVNZPWVXLUPSGW-OAHLLOKOSA-N 304.390 2.046 0 40 DEAB C[C@H](C(=O)N1C[C@H](CO)OC[C@H]1C)c1ccc(Cl)s1 95979137 RBNWDMGBZWSXGH-KXUCPTDWSA-N 303.811 2.113 0 40 DEAB Fc1ccc([C@H](NCC2CCOCC2)c2ncon2)cc1F 95980671 UCJIVBCRRUBXTQ-AWEZNQCLSA-N 309.316 2.453 0 40 DEAB COc1ccc(CCNC(=O)CN2CCCCC2=O)c(Cl)c1 89432665 JETFTVFPDSVIFN-UHFFFAOYSA-N 324.808 2.020 0 40 DEAB Cc1ccc(C(=O)NCCCOc2ccc(F)cc2)c(=O)[nH]1 75126049 ZIVPYZUKJQPPJA-UHFFFAOYSA-N 304.321 2.021 0 40 DEAB C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[S@@](C)=O 89900725 PPLGOGRUNNUGHI-CVJBHZAOSA-N 308.230 2.419 0 40 DEAB CCN1CCN(C[C@@H](C)CNC(=O)c2cc(C)c(C)s2)CC1 75572752 FYCIRYOQICQFTQ-ZDUSSCGKSA-N 323.506 2.368 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@H]1COc2ccccc2C1 65478098 YUXNYRLONMKDEQ-AWEZNQCLSA-N 314.433 2.135 0 40 DEAB O=C1C=C(Nc2ccc(Br)c3cccnc23)CN1 524733732 KZZYGHRAUVJBCL-UHFFFAOYSA-N 304.147 2.423 0 40 DEAB O=S(=O)(NC[C@](O)(c1ccccc1)C1CC1)c1cccs1 70967529 GUOQZCPGWTWVDK-HNNXBMFYSA-N 323.439 2.324 0 40 DEAB O=C(OCCc1cccs1)[C@@H]1CCCN(C(=O)C2CC2)C1 78556563 ZSNNZDKGLJUROJ-CYBMUJFWSA-N 307.415 2.482 0 40 DEAB O=C(O)CSc1cc(C(F)(F)F)cc(N2CCOCC2)n1 43179054 RHOZADCTJYEJGJ-UHFFFAOYSA-N 322.308 2.114 0 40 DEAB O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCCO 40387660 VRNCTKRPRSIXHP-UHFFFAOYSA-N 320.352 2.094 0 40 DEAB Cc1nn(C[C@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1Cl 225602497 YJYHBWCGIWENIS-DCAQKATOSA-N 313.829 2.425 0 40 DEAB Cc1cccc(C)c1[C@@H](C)NC(=O)NCCN1CCCOCC1 225472134 FSOKCVAQQMVZTM-MRXNPFEDSA-N 319.449 2.386 0 40 DEAB O=C(NCCCO)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751300 IIUKELLOZMSDMZ-UHFFFAOYSA-N 313.279 2.003 0 40 DEAB Cc1cc(Cl)cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1 194017440 WBFFMZAMIBHWNA-CHWSQXEVSA-N 310.825 2.176 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)N[C@@H]1C=CCCC1)CC2 195569721 ZRWFZENHCKYKJV-RBSFLKMASA-N 308.422 2.057 0 40 DEAB CC[C@@H](NC(=O)Cn1nc(C)ccc1=O)c1cc(F)ccc1F 96419038 OKRWKUVFNCQELK-CQSZACIVSA-N 321.327 2.097 0 40 DEAB Cn1ccc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)cc1=O 96442398 GZLGBGJVOMTKPZ-AWEZNQCLSA-N 312.369 2.069 0 40 DEAB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1ccncc1)COC3 96112423 SMOMMRQFWDVFJB-AWEZNQCLSA-N 322.368 2.241 0 40 DEAB biogenic,in-vitro CC(C)C(=O)N1CCC[C@@]12CCN(C(=O)c1cscn1)C2 96203066 DNFOLPRFBDENBN-HNNXBMFYSA-N 307.419 2.006 0 40 DEAB COCCOC1CCN(C(=O)NCc2sccc2C)CC1 96408788 CCHAVXRRHAAVIZ-UHFFFAOYSA-N 312.435 2.394 0 40 DEAB Cc1noc([C@@H]2COCCN2C(=O)c2cc3ccccc3o2)n1 97373321 GVUQORDIHUZXFD-LBPRGKRZSA-N 313.313 2.338 0 40 DEAB CC(C)[C@@H](NC(=O)CCCC(=O)c1ccc(Cl)cc1)C(N)=O 96408451 FKMSLUYUYVFOMV-OAHLLOKOSA-N 324.808 2.319 0 40 DEAB O=C(CN1CCC[C@@H]1CCCO)N1CCC[C@@H](C(F)(F)F)C1 96424262 PAUIMHAOTLDLHI-CHWSQXEVSA-N 322.371 2.024 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2ccc(F)cc2Cl)CC1 95432432 IGCMMLGDMLYSHO-AWEZNQCLSA-N 315.772 2.225 0 40 DEAB COCC[C@@H]1CCOC2(C1)CN(Cc1cccnc1OC)C2 247837949 JTFLQLOKUJPIIS-CQSZACIVSA-N 306.406 2.108 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cc(CC(C)C)no3)CCO2)n1 257316613 VGHVKVUPDNNXLL-AWEZNQCLSA-N 318.377 2.118 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)c2oc3ccccc3c2C)[C@H]1O 257237923 HIVDOGIDQFWXCD-BPLDGKMQSA-N 303.358 2.399 0 40 DEAB CCN1C[C@@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@H]1C 390833026 ATXMISKMSQZXGZ-HZPDHXFCSA-N 324.490 2.016 0 40 DEAB Cc1ccc(CC(=O)N2CCC3(CCCNC3=O)CC2)cc1 585102364 BIVLQYVYPXJHEB-UHFFFAOYSA-N 300.402 2.056 0 40 DEAB Cc1cccc(C[C@H]2CCN(C(=O)c3cnoc3)C[C@H]2O)c1 585279394 LGNHQRCRYKKEGG-GDBMZVCRSA-N 300.358 2.049 0 40 DEAB O=C(CCC(F)(F)F)N1CCC[C@H](COc2ncccn2)C1 1776001918 SINHEEQUIMBFNT-NSHDSACASA-N 317.311 2.437 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1c(C)nn(C)c1Cl 72268846 VEJAKVSKFSXGRP-GJZGRUSLSA-N 324.856 2.357 0 40 DEAB O=C1OCCN1CCC(=O)N1CCCSc2ccccc21 57224747 YYCSCMYAGVZWSO-UHFFFAOYSA-N 306.387 2.358 0 40 DEAB CN(C)C[C@@H]1CN(Cc2coc(-c3cccs3)n2)CCO1 75133139 ZNGVLPAJVWHTNR-CYBMUJFWSA-N 307.419 2.166 0 40 DEAB Cc1cccc(C)c1CCNC(=O)N1CCOC[C@@H]1C[C@H](C)O 97162021 MHCYYZMIRAQXFM-HOTGVXAUSA-N 320.433 2.027 0 40 DEAB O=c1oc(-c2cc3c(s2)CCC3)nn1CCN1CCCC1 5002397 CDXXZDYBFDKDLH-UHFFFAOYSA-N 305.403 2.149 0 40 DEAB O=c1[nH]c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2o1 11691463 CNULYJJKUULVHM-UHFFFAOYSA-N 308.290 2.061 0 40 DEAB COCc1nc2nc(SC)nn2c(N)c1-c1ccc(F)cc1 13638115 XJPUAIFZECYZHB-UHFFFAOYSA-N 319.365 2.381 0 40 DEAB COc1cc(OC)c(OC)cc1CN1C[C@H]2CCCN2C[C@H]1C 19575070 VCQHZJOZCOBRGY-UKRRQHHQSA-N 320.433 2.381 0 40 DEAB COc1ccc(OC)c(/C=C2/SC(=O)N(CN(C)C)C2=O)c1 19904360 DDIKAWRIKGCHLD-MDWZMJQESA-N 322.386 2.259 0 40 DEAB NC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 6127805 AYLRZHVNHLLLSR-UHFFFAOYSA-N 318.760 2.134 0 40 DEAB CSc1nc(N2CCC(C(N)=O)CC2)cc(C(C)(C)C)n1 1888843692 SXVJRPVZEVUKKY-UHFFFAOYSA-N 308.451 2.198 0 40 DEAB Fc1ccc(N2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 1888903809 KBVPBCFRGAEGTH-UHFFFAOYSA-N 324.363 2.128 0 40 DEAB Cc1cnn(CC2CN(C(=O)CCc3ccccc3F)C2)c1 1848739007 NYZHNKYBDQYRND-UHFFFAOYSA-N 301.365 2.422 0 40 DEAB O=C(NC[C@@H](c1ccoc1)N1CCSCC1)c1ccco1 244986097 JFURMNLHALKLIW-ZDUSSCGKSA-N 306.387 2.393 0 40 DEAB O=C(NCCCn1ncccc1=O)Nc1ccc(Cl)cc1 23137428 OIRQLFQCIDOUEL-UHFFFAOYSA-N 306.753 2.109 0 40 DEAB C[C@@H](O)c1ccc(CCNS(=O)(=O)c2ccccc2)s1 225688427 HIOBDAWRJGWEPF-LLVKDONJSA-N 311.428 2.322 0 40 DEAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccoc1 575613440 SAUJTXSWJFTRQK-SFHVURJKSA-N 315.369 2.324 0 40 DEAB Cn1cc(-c2cncc(CNC(=O)OCc3ccccn3)c2)cn1 575616682 NJPGARPVQDELRS-UHFFFAOYSA-N 323.356 2.304 0 40 DEAB CN(C)c1ccc([C@H](O)CNC(=O)Cc2ccc(F)cc2)cc1 90611666 OJFGEKFRXTVFNS-QGZVFWFLSA-N 316.376 2.284 0 40 DEAB CCCNC(=O)[C@@H]1CCCN(C(=O)/C=C/c2ccc(C)o2)C1 50724894 INLWNOZJTAFZFB-MYSGNRETSA-N 304.390 2.366 0 40 DEAB C[C@H]1CN(C(=O)COCc2nc3ccccc3s2)C[C@@H](C)O1 40464627 MEDTUOYTILZQQX-TXEJJXNPSA-N 320.414 2.449 0 40 DEAB CS(=O)(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1 40525171 IDRMPNQWDIYJQN-UHFFFAOYSA-N 313.762 2.267 0 40 DEAB CCN1CCC[C@H]1CNC(=O)[C@@H](C)OCc1cccc(OC)c1 40523366 MENLNMNTDGFZMQ-ZBFHGGJFSA-N 320.433 2.201 0 40 DEAB Cc1cc(=O)n2nc(CN(C)Cc3ccccc3F)sc2n1 21671437 AGPPXOBDBIFJHX-UHFFFAOYSA-N 318.377 2.231 0 40 DEAB COc1c2c(cc3c1[C@H](C[C@H](O)C(C)C)N(C)CC3)OCO2 485987 YOXGNJRAWXKDHZ-STQMWFEESA-N 307.390 2.360 0 40 DEAB biogenic CCc1nc(C)cn1S(=O)(=O)c1cc(OC)ccc1OC 836087 IVGCLVIMMCPBPC-UHFFFAOYSA-N 310.375 2.008 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3346939 KTEATNOTFOTAKL-APPZFPTMSA-N 310.400 2.294 0 40 DEAB COc1ccc2c(C)c(CCC(=O)NC3CC3)c(=O)oc2c1 4085137 WAXVGUHXLGWVHX-UHFFFAOYSA-N 301.342 2.321 0 40 DEAB biogenic COc1cc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)ccc1Cl 4302619 YLURSZUUTURFGV-NXEZZACHSA-N 319.810 2.147 0 40 DEAB CCc1cc(=O)oc2cc(C)cc(OCC(=O)NC3CC3)c12 5324650 PVPTVYCBQCQWGA-UHFFFAOYSA-N 301.342 2.321 0 40 DEAB CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccco3)ccc21 5375491 OJSWDPFUWVXHLQ-UHFFFAOYSA-N 320.370 2.244 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1cc2ccccc2o1 5451487 LNEMSOFKPVJMKZ-UHFFFAOYSA-N 306.325 2.448 0 40 DEAB CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CCCC3 5477980 OXLDKALGZGUXCV-UHFFFAOYSA-N 316.415 2.491 0 40 DEAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(Cl)c(N)c2)C1 5656348 GEORVTONSPIUJD-JTQLQIEISA-N 310.781 2.338 0 40 DEAB COc1cccc(-n2cnnc2SCC(=O)NC(C)(C)C)c1 5895333 NHSPGSRFEQOFIP-UHFFFAOYSA-N 320.418 2.283 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@@H]1C 6086709 GEVGUBGXFJVHDY-UMVBOHGHSA-N 313.401 2.337 0 40 DEAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccccc1F 6688104 LXPNQWDYNVHJRV-ZDUSSCGKSA-N 307.321 2.412 0 40 DEAB Cc1ccc(Oc2ccccc2NC(=O)Cn2cnnn2)cc1 8329128 PEYQJGMLQXTXNP-UHFFFAOYSA-N 309.329 2.413 0 40 DEAB COc1ccccc1C(=O)Nc1c(C)nc2sccn2c1=O 8931673 XABHHJFWJZEHLD-UHFFFAOYSA-N 315.354 2.325 0 40 DEAB Cc1cc(C)n2nc(C(=O)Nc3ccc4oc(C)nc4c3)nc2n1 9549892 MLPKNKULFVZKDL-UHFFFAOYSA-N 322.328 2.443 0 40 DEAB C[C@@H](NC(=O)CCC(=O)NCc1ccccn1)c1ccccc1 9554152 GKJACLPGPDTWEH-CQSZACIVSA-N 311.385 2.355 0 40 DEAB CC[C@H](C)NC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661310 BTIQTBZXEREYCC-LBPRGKRZSA-N 324.384 2.204 0 40 DEAB O=C1COc2ccc(C(=O)N3CCc4sccc4C3)cc2N1 10923554 DXBCCIWTXNBYBM-UHFFFAOYSA-N 314.366 2.278 0 40 DEAB O=C1CCCN1c1cccc(C2=NN=C(NC3CC3)SC2)c1 11113793 HNFORAKAQGSVCQ-UHFFFAOYSA-N 314.414 2.372 0 40 DEAB NC(=O)[C@H](OC(=O)Cc1noc2ccccc12)c1ccccc1 11249240 QDIXSQWJMNRDGY-MRXNPFEDSA-N 310.309 2.140 0 40 DEAB CC[C@@H](Cn1nc2c(cc1=O)CCCCC2)NC(=O)C(C)(C)C 12084897 OYOGAQUPFTYDIN-AWEZNQCLSA-N 319.449 2.453 0 40 DEAB COc1cccc(NC(=O)CNC(=O)c2ccccc2OC)c1 14153081 PEWKLJHOQBPIMX-UHFFFAOYSA-N 314.341 2.072 0 40 DEAB COc1ccccc1CCNC(=O)[C@H]1CC(=O)Nc2ccccc21 14482432 OTSIYDNVNYODMK-HNNXBMFYSA-N 324.380 2.480 0 40 DEAB COc1ccc(-c2ccc(CCC(=O)O[C@H](C)C(N)=O)o2)cc1 17736844 RRNDJPFBPQOCAZ-LLVKDONJSA-N 317.341 2.305 0 40 DEAB Cc1cccc(N(CC(=O)N(C)C2CCCC2)S(C)(=O)=O)c1 20110712 FFVZUAKOPKQZIL-UHFFFAOYSA-N 324.446 2.162 0 40 DEAB COc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1OC 20143214 YMKNDWXEVQAMDG-UHFFFAOYSA-N 317.297 2.360 0 40 DEAB in-vitro COc1ccc(CN(C)C(=O)c2cn3ccccc3n2)cc1O 20586871 APGYEFGAYUZZHQ-UHFFFAOYSA-N 311.341 2.321 0 40 DEAB CCc1cc2c(=O)n(NC(=O)c3cccc(C)n3)cnc2s1 25076385 WKNIRJSZHCCELO-UHFFFAOYSA-N 314.370 2.108 0 40 DEAB C[C@H]1CCc2nc(NC(=O)[C@H]3CC(=O)N(C4CC4)C3)sc2C1 25280336 PGQSXAJQWIHKRH-UWVGGRQHSA-N 319.430 2.217 0 40 DEAB CC1CCN(C(=O)[C@@H](C)n2cc(Br)cn2)CC1 28224552 ATJLTDDCTJZSAX-SNVBAGLBSA-N 300.200 2.465 0 40 DEAB CCOC(=O)CCCCCCCC[C@@H](O)CN1CCOCC1 28294120 SASTWVBSARGFAN-MRXNPFEDSA-N 315.454 2.363 0 40 DEAB Cn1cnn(CN2CCO[C@H](c3ccc(F)cc3)C2)c1=S 29896456 ILCBEVRUYKGAST-ZDUSSCGKSA-N 308.382 2.121 0 40 DEAB CCN1CCN(c2ccc(NC(=O)[C@H]3CCCO3)c(C)c2)CC1 32978523 WLWWLLKIRRIBAY-QGZVFWFLSA-N 317.433 2.254 0 40 DEAB Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3CCCO3)cc2)n1 36391916 SFTWBECHYMARBV-QGZVFWFLSA-N 313.401 2.327 0 40 DEAB O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCOCC1 38832728 HEUVRDGSGVLDAT-OAHLLOKOSA-N 322.836 2.411 0 40 DEAB CCOCCCNC(=O)[C@H]1CCCN(Cc2ccccc2)C1 38856786 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FESIBBWMBZYZBU-UHFFFAOYSA-N 305.403 2.037 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2ccnc2)on1 65409010 IPAMBIFIANFCDM-STQMWFEESA-N 303.366 2.115 0 40 DEAB NC(=O)c1ccnc(NC[C@H](O)c2ccc3ccccc3c2)c1 67372852 PCBLQFOIUZPNHI-INIZCTEOSA-N 307.353 2.479 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C(=O)N1CCCCC1 67592075 ZEHJJLVJSRTFHS-MAZHCROVSA-N 318.392 2.446 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1ccnn1C1CCCC1 69462867 ZZKIMKPFAQYIEP-LLVKDONJSA-N 316.361 2.348 0 40 DEAB COc1cc(NCC(=O)N2CCCCC2)cc(OC)c1OC 69488324 RYMSFIBLOPNSHM-UHFFFAOYSA-N 308.378 2.137 0 40 DEAB COC(=O)[C@](C)(NC(=O)c1ccoc1)c1cc(F)ccc1F 69528445 HQAGZZSRHVFGLN-OAHLLOKOSA-N 309.268 2.376 0 40 DEAB Cc1cc(N2CCC(N(C)C(=O)[C@H]3C[C@@H]3C)CC2)nc(C)n1 69843512 RHQNHEVSXBTZOR-NHYWBVRUSA-N 302.422 2.177 0 40 DEAB Cc1ccn(-c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)C3(C)C)cc2)n1 71281708 GEPWRFGNWFRISU-KGLIPLIRSA-N 313.357 2.476 0 40 DEAB COc1ccc(C2(C(=O)Nc3cnn(C)c3)CCOCC2)cc1 71285183 YMJCPYXDTPKRBN-UHFFFAOYSA-N 315.373 2.116 0 40 DEAB CCCc1cc(N2CCC[C@@H]2c2cnn(C)c2)n2ncnc2n1 71797070 MXKGXWDWPFNCSR-CQSZACIVSA-N 311.393 2.152 0 40 DEAB CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(N)=O 71829185 RGXURYVDAYIRDP-UHFFFAOYSA-N 318.398 2.371 0 40 DEAB CCN1CCN(C(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc21 71894349 NDMVJSCTNRWZFA-UHFFFAOYSA-N 311.385 2.478 0 40 DEAB Cc1cc(C)n(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1 72282842 YSGPPFZMTMQRLC-AWEZNQCLSA-N 301.394 2.019 0 40 DEAB Cc1cnc(CNS(=O)(=O)c2cccc(Cl)c2F)o1 72307475 RATFQMPVRQZGOR-UHFFFAOYSA-N 304.730 2.254 0 40 DEAB Cc1cccc(-c2nnc([C@H](C)N3CCc4c(nnn4C)C3)o2)c1 72308836 FLJWFLDIRGRCFH-LBPRGKRZSA-N 324.388 2.293 0 40 DEAB O=C(Nc1ccc(-n2cc(Br)cn2)nc1)C1CC1 72401703 XIKQMWIZFANXQO-UHFFFAOYSA-N 307.151 2.378 0 40 DEAB CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1 72849868 XQPCIEQZZPTQHS-CQSZACIVSA-N 317.433 2.353 0 40 DEAB COc1ccc(C[C@@H](C)N(C)C(=O)c2nccn3ccnc23)cc1 73226443 WYILOECGXAFBNH-CYBMUJFWSA-N 324.384 2.441 0 40 DEAB Cc1cnc([C@@H](NC(=O)N2CCN(C3CC3)CC2)C2CC2)s1 74704667 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2.495 0 40 DEAB CNc1ncc(C(=O)NC[C@]2(O)CCCc3ccccc32)s1 97031901 VXZKQEYHERJBNF-MRXNPFEDSA-N 317.414 2.139 0 40 DEAB Cc1cc(N2CCC[C@H]2C(=O)NC2CC2)ncc1Br 97104459 ADHOWWANSBLGCA-LBPRGKRZSA-N 324.222 2.400 0 40 DEAB COCc1nsc(NC(=O)c2nccc3ccccc23)n1 97107964 DKHOAQUQHLONBQ-UHFFFAOYSA-N 300.343 2.485 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1 97147376 GHYGMIZSSIGICJ-KWCYVHTRSA-N 320.437 2.244 0 40 DEAB CCc1cc(C(=O)NC[C@H](c2ccc(OC)cc2)N(C)C)n[nH]1 97218395 ZRWIYYIHDOGNST-MRXNPFEDSA-N 316.405 2.013 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102304951 HEQXLABLIIPJMB-AJNGGQMLSA-N 301.342 2.403 0 40 DEAB Cn1nccc1CN1CCC2(CC1)CC(Nc1ncccn1)C2 108528063 JUFUMJACALGSDY-UHFFFAOYSA-N 312.421 2.067 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@@H]2C3)cc1 170620967 QKVLBDTVSNTDJH-JMSVASOKSA-N 320.414 2.136 0 40 DEAB CSCc1cccc(CNC(=O)N2CCC[C@@H](CO)C2)c1 187396202 FKQVXQMVNMHYTD-OAHLLOKOSA-N 308.447 2.464 0 40 DEAB Cc1cc(C(=O)NC[C@]2(O)CCC[C@H](C(F)(F)F)C2)on1 187758316 KXDSITGNBZUYGE-CABZTGNLSA-N 306.284 2.196 0 40 DEAB CC(C)C[C@@H](C)NC(=O)N1CCC(CN2CCN(C)CC2)CC1 192199832 BTLHFOSSGYQFRB-MRXNPFEDSA-N 324.513 2.090 0 40 DEAB O=C(NC[C@@H]1CC[C@@H](O)C1)NCC1(c2ccccc2F)CC1 195578332 VZHZIQUWPOBGLE-CHWSQXEVSA-N 306.381 2.318 0 40 DEAB COCCNC(=S)Nc1nc(C)cc(N2CCCC[C@@H]2C)n1 225899168 RJFKDIDXZRUFJC-LBPRGKRZSA-N 323.466 2.097 0 40 DEAB CO[C@H]1CN(C(=O)c2ccc3ncccc3c2)C[C@@]12CCCO2 257218866 DEQIWTXMZMWHAV-WMZOPIPTSA-N 312.369 2.255 0 40 DEAB Cc1nccc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 257233494 GPNJWKYHKCWURZ-ZDUSSCGKSA-N 300.362 2.410 0 40 DEAB CC(=O)N1CC[C@](Cc2cc(-c3ccccc3)no2)(C(=O)O)C1 257288632 PVALPYUHUCUECE-QGZVFWFLSA-N 314.341 2.207 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)CCc3c(C)noc3C)C2)n1 257328836 XHHUBEIVCUKZOT-AWEZNQCLSA-N 316.405 2.282 0 40 DEAB CC(=O)N1CCC[C@@H](c2nc3ccc(N4CCCC4)cn3n2)C1 306137700 RDGVEFACZHLNDA-CQSZACIVSA-N 313.405 2.055 0 40 DEAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nc(CO)cs2)c1 521394219 AVYQUAGSENTFGC-JTQLQIEISA-N 320.370 2.244 0 40 DEAB O=C(NCC1(O)CCCCC1)[C@H]1CCN(Cc2ccccc2)C1 557630801 JHXCYNNFDRQKRT-KRWDZBQOSA-N 316.445 2.320 0 40 DEAB CC(=O)N1CC[C@@H](Cc2nccnc2-c2cnc(C)s2)C1 585261140 OEEADNZMQIMGNO-LBPRGKRZSA-N 302.403 2.319 0 40 DEAB Cn1cncc1C1CCN(Cc2ccnc3nccnc23)CC1 1888864099 MEYLIPLCDRLCRY-UHFFFAOYSA-N 308.389 2.138 0 40 DEAB CN(Cc1nc2ccccc2s1)C(=O)NC[C@@H]1CCOC1 47068471 XEQPFSHNICTGNY-NSHDSACASA-N 305.403 2.474 0 40 DEAB O=C(NCCc1ccccc1Br)c1cnccn1 61283961 HPLYFJZXHQSSHZ-UHFFFAOYSA-N 306.163 2.212 0 40 DEAB CCOc1cccc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)c1 936835 PVHGWPSTDWSNSU-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB CO[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCCO3)C1 76577034 IYDFLXRAYCOWKF-CQSZACIVSA-N 320.389 2.168 0 40 DEAB O=C(NCCc1n[nH]c(-c2ccco2)n1)c1cccc(Cl)n1 78912141 ZPQSEWNEHSCXEW-UHFFFAOYSA-N 317.736 2.086 0 40 DEAB C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@@H]21 7881699 LUMNDUXOBQBCGH-SUZMYJTESA-N 318.760 2.182 0 40 DEAB Cc1cccc(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)c1 19169176 JHUFBDKFXBCLJR-UHFFFAOYSA-N 318.398 2.214 0 40 DEAB C[C@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)NC1CCCC1 24747637 MAKLLTNLULGHRO-LBPRGKRZSA-N 315.417 2.438 0 40 DEAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc(C)cc32)N2CCC[C@H]12 55243680 OADUTSIQQFOQFS-CDHAZOANSA-N 314.385 2.190 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1cc(C(C)=O)c[nH]1)c1cccs1 25085635 YCHGVDMMYUVICU-LLVKDONJSA-N 320.370 2.313 0 40 DEAB Cc1nc(C)c([C@@H](C)NC(=O)CN2CCCCCC2=O)s1 56023280 BPSJWPORKGCQMO-LLVKDONJSA-N 309.435 2.340 0 40 DEAB Cc1occc1CN(C)C(=O)c1cccnc1N1CCOCC1 56252569 LUHDBKTUKKFZCX-UHFFFAOYSA-N 315.373 2.092 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)NC[C@@H](O)C(F)(F)F 57219381 VHRHJHXGZFYSMC-GFCCVEGCSA-N 320.311 2.196 0 40 DEAB CCOC(=O)C1CCN(C(=O)COc2ccccc2F)CC1 3209174 HWNVLAPUQGEKKX-UHFFFAOYSA-N 309.337 2.006 0 40 DEAB CNC(=O)c1ccc(CN(CCOC)Cc2ccco2)cc1 26926336 WBSFTWSNGJQJKZ-UHFFFAOYSA-N 302.374 2.288 0 40 DEAB CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2Cc1ccccc1 35655580 GXRXZOGXARNNCU-UHFFFAOYSA-N 311.341 2.258 0 40 DEAB COC(=O)[C@H]1CCCN1Cc1noc(-c2ccccc2C)n1 84247690 IZHGHYGPVLKYEX-CYBMUJFWSA-N 301.346 2.182 0 40 DEAB Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)cn1 58296027 OYXNMRJCHOYWPR-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB Cn1cc(/C=C/C(=O)NCCN2CCCc3ccccc32)cn1 58244551 LIUIHGIUZDUNGZ-CMDGGOBGSA-N 310.401 2.002 0 40 DEAB c1ccc(N2CCN(C[C@H]3COc4ccccc4O3)CC2)nc1 12781000 VXUVBQPQPMIJNR-HNNXBMFYSA-N 311.385 2.044 0 40 DEAB CC[C@@H]1CCCC[C@H]1NC(=O)N(C)[C@H](C)CS(=O)(=O)CC 110591600 PVGSMDOFAFDBGS-MGPQQGTHSA-N 318.483 2.420 0 40 DEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1ccsc1 28924510 LJDHRDPJWBIDBC-OAHLLOKOSA-N 315.398 2.085 0 40 DEAB Cc1nc2ccccc2nc1SCC(=O)N1CCCC1=O 12897114 BVKPXKJFMRGZKA-UHFFFAOYSA-N 301.371 2.179 0 40 DEAB CC(=O)Nc1ccc(C(=O)OCC(=O)N2CCCC[C@@H]2C)cc1 3403331 YEGATDMOOSVGCO-LBPRGKRZSA-N 318.373 2.203 0 40 DEAB CCOc1ccc(OCCN2C(=O)N[C@@H](C(C)C)C2=O)cc1 12985933 ZGGSWWCOECGEOE-AWEZNQCLSA-N 306.362 2.041 0 40 DEAB COc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1F 13317224 OJMPGMNPSUMLBL-UHFFFAOYSA-N 303.289 2.463 0 40 DEAB COc1cc2c(cc1OC)C(=O)N[C@H](c1cccc(O)c1)N2 63775363 IDZFCDLMQSQFAA-OAHLLOKOSA-N 300.314 2.264 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)NCCC1=CCCCC1 4195280 UKRRQCWXOPVCOT-UHFFFAOYSA-N 306.362 2.455 0 40 DEAB CN1C(C(=O)O)=C(c2ccccc2)c2ccccc2S1(=O)=O 67244945 DDQWWOKOUSYARL-UHFFFAOYSA-N 315.350 2.165 0 40 DEAB O=S(=O)(N[C@@H]1CCCNC1)c1cc(Cl)ccc1Cl 71397526 OQSQMIKYXMVZSO-SECBINFHSA-N 309.218 2.024 0 40 DEAB C[C@H]1C[C@H](Sc2nnc(-c3ccc4c(c3)OCO4)o2)C(=O)O1 9218211 LMLDQOYYZGEETJ-CPCISQLKSA-N 320.326 2.261 0 40 DEAB C[C@]1(C(=O)O[C@H](C(N)=O)c2ccccc2)CC1(Cl)Cl 14071171 NUNMXISEPDBPPF-JOYOIKCWSA-N 302.157 2.340 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1cc(Cl)cc(Cl)c1 14117151 JFJHEQDOQMMQGW-UHFFFAOYSA-N 311.172 2.461 0 40 DEAB Cc1cccc(NC(=O)COC(=O)c2c(C)[nH]sc2=N)c1C 9314063 ZOHSWOMOJIAFTC-UHFFFAOYSA-N 319.386 2.276 0 40 DEAB Clc1cccc2c1CCN(c1ncnc3c1CCNC3)C2 67654887 RGDCQOGSQOYFQK-UHFFFAOYSA-N 300.793 2.338 0 40 DEAB COc1ccc2cc(C(=O)NCc3cccnc3)c(=O)oc2c1 7467936 PWAWSOCAIZHISL-UHFFFAOYSA-N 310.309 2.127 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2nc3ccccc3n2C)cc1 7674593 CLMHEJXNENZXKI-UHFFFAOYSA-N 315.398 2.360 0 40 DEAB Cn1cnnc1-c1ccccc1NC(=O)COc1ccccc1 68727198 LGEYNRAHWZRRTD-UHFFFAOYSA-N 308.341 2.500 0 40 DEAB c1cc(N2CCCCC2)ccc1CCNc1cncc2nnnn12 69161064 NYBSRDNLCZKPKW-UHFFFAOYSA-N 323.404 2.164 0 40 DEAB C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCCCC1 8230698 IZXZMMFWJFVXKZ-CYBMUJFWSA-N 315.417 2.392 0 40 DEAB COc1ccccc1C[C@@H]1CCCN1C(=O)Cn1cc(C)cn1 69374571 CEXPTYAFWLMUNU-INIZCTEOSA-N 313.401 2.434 0 40 DEAB Cc1ccccc1C1(CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)CC1 69417872 JYIKBBCWFJHWHG-LSDHHAIUSA-N 314.429 2.305 0 40 DEAB Cc1csc2nc(CN[C@H](C)[C@@H](C)n3cccn3)cc(=O)n12 71882107 LOGJGISSRKODDE-VXGBXAGGSA-N 317.418 2.000 0 40 DEAB CN(C)[C@@H](C(=O)N1CCC[C@H](n2ccnc2)C1)c1ccccc1 69706787 BYCYVZSPWNBQQY-DLBZAZTESA-N 312.417 2.350 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nn1 69899998 BTMODSUVFSVMEK-UHFFFAOYSA-N 319.796 2.483 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2ccccn2c1 69897886 NWBAECGBSHPOAK-UHFFFAOYSA-N 304.313 2.167 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2nc3ccccc3c(=O)[nH]2)c1 69924799 NHVCQYBNJRFUEG-CQSZACIVSA-N 323.400 2.093 0 40 DEAB COCCOC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 18257840 XCLWMBVYVGFBRT-UHFFFAOYSA-N 324.336 2.189 0 40 DEAB O=C(/C=C/c1cnccn1)Nc1ccnn1Cc1ccccc1 71819333 BMEFXTDDZXMRSW-VOTSOKGWSA-N 305.341 2.373 0 40 DEAB Cn1cc(C(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)n[nH]2)cn1 95441901 FYFDCNVMYXUPIE-CQSZACIVSA-N 322.372 2.183 0 40 DEAB Cc1nc([C@H]2COCCN2C(=O)/C=C/c2ccc(F)cc2)no1 95468263 GZRQVDDSHOEYMB-BTKRWWFXSA-N 317.320 2.130 0 40 DEAB COc1ccc(C(=O)Nc2nnc(C(C)(C)O)s2)cc1F 95464810 CKFJNPAAXUSPHL-UHFFFAOYSA-N 311.338 2.166 0 40 DEAB O=C(c1ccco1)N1CCCN(c2nc(C3CC3)ns2)CC1 97012364 LWQSYJUTLOHIOF-UHFFFAOYSA-N 318.402 2.361 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)n1 72283070 MTQRTPMETJERNQ-LBPRGKRZSA-N 317.393 2.084 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)N2CCCC[C@@H]2C(=O)O)c1 72274547 TYCCZAPHLYASAW-VIIAAUOXSA-N 319.357 2.183 0 40 DEAB CCCN(C(=O)c1cccc[n+]1[O-])[C@H]1C[C@@H](OCC)C1(C)C 72293696 NEDHFIITRMQKSP-LSDHHAIUSA-N 306.406 2.376 0 40 DEAB O=C(Cc1ccccc1Cl)N1CCCN(C(=O)C2CC2)CC1 75017043 MKMMIMUSWNYPLT-UHFFFAOYSA-N 320.820 2.353 0 40 DEAB Cc1cc(Br)oc1C(=O)N1CCN(C)C[C@H]1C 89606810 CKMGILFJYZWRNQ-SECBINFHSA-N 301.184 2.127 0 40 DEAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NCc1ccc(F)c(CO)c1 89922767 QOCRGVRAWMDRDJ-XQQFMLRXSA-N 308.397 2.196 0 40 DEAB CCNC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCC3)C1 89977443 OCGANPKGNNRVMC-OAHLLOKOSA-N 316.405 2.101 0 40 DEAB Cc1ccc(N2CC[C@@H](NC(=O)Nc3cccnc3)C2=O)cc1 76069261 REYJEIWCHTZNBQ-OAHLLOKOSA-N 310.357 2.317 0 40 DEAB CC(C)CCc1nc(Cn2ccnc2S(C)(=O)=O)cs1 76092601 AIDVVNIRBPEKQD-UHFFFAOYSA-N 313.448 2.380 0 40 DEAB Cc1noc([C@@H]2CCCCN2CC(=O)Nc2nccs2)n1 65286646 LNSUBJDOZUWZDA-JTQLQIEISA-N 307.379 2.000 0 40 DEAB Cc1nc(C(=O)N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)c(C)o1 517554258 WYCLPUATETUPGP-HUUCEWRRSA-N 311.385 2.500 0 40 DEAB CCOC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H]1CC=CCC1 521394036 VMVVTAMBYRVFPQ-GJZGRUSLSA-N 302.374 2.028 0 40 DEAB CC(C)C[C@H](CNc1ncnc2c1cnn2C)N1CCCC1 32760673 BFBZEURDMHSGPU-CYBMUJFWSA-N 302.426 2.286 0 40 DEAB CCOc1ccc(CCCNC(=O)[C@H]2CCCN(C)C2)cc1 78578618 KDEWRYGUCOAFMP-INIZCTEOSA-N 304.434 2.476 0 40 DEAB O=C(c1ccc2nsnc2c1)N1CCC2(CC1)OCCS2 70637260 RRYKUBGOAIBMNJ-UHFFFAOYSA-N 321.427 2.387 0 40 DEAB CC(=O)N1CC(c2nc(C)cc(N3CCCC(C)(C)C3)n2)C1 72365355 MHBJPZITGVGPAM-UHFFFAOYSA-N 302.422 2.357 0 40 DEAB CC(C)(Oc1cccc(Cl)c1)C(=O)OCCn1cncn1 79036770 QIVZWKNMXKRUEI-UHFFFAOYSA-N 309.753 2.332 0 40 DEAB c1coc(-c2nc(N3CCOCC3)ncc2-c2cnccn2)c1 72338473 KUGNZQVYFSSQOZ-UHFFFAOYSA-N 309.329 2.030 0 40 DEAB COCCCNC(=S)Nc1ncc(Br)cc1C 223888682 QMZXOHWNHGWOEG-UHFFFAOYSA-N 318.240 2.475 0 40 DEAB O=C(NCc1cnn2c1CCCC2)c1cc(-c2cccnc2)on1 225611322 KDJOHBRXJGWGQB-UHFFFAOYSA-N 323.356 2.199 0 40 DEAB FC(F)(F)c1cc(N2CCN(c3ncccn3)CC2)ccn1 285591938 LFTRAKPFRQOJJM-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB O=C(c1nccs1)C1CCN(C(=O)c2cscn2)CC1 45302726 IQLNBHZAFLYLGI-UHFFFAOYSA-N 307.400 2.335 0 40 DEAB Cc1noc(C)c1CC(=O)N(C)C[C@H]1Cc2ccccc2CO1 225789315 AIJXSSCOLRWJSW-MRXNPFEDSA-N 314.385 2.434 0 40 DEAB O=C(c1cncnc1C1CC1)N1CCC(Cc2ncc[nH]2)CC1 571635556 KPHVGYVCYOXEAB-UHFFFAOYSA-N 311.389 2.172 0 40 DEAB CC1(C(=O)NC[C@H](O)C2CC2)CCN(Cc2ccccc2)CC1 195569786 BEOYDKJODHCZTD-KRWDZBQOSA-N 316.445 2.176 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)c(Cl)c2)C1 45958258 ZMCMTMLAKOBALP-NSHDSACASA-N 322.792 2.466 0 40 DEAB CO[C@H](C)c1cccc(NC(=O)N(CCO)CC(F)F)c1 193947760 FODALKHSGZLWKD-SNVBAGLBSA-N 302.321 2.485 0 40 DEAB c1cncc(CN2C[C@H]3OC[C@H](COc4ccncc4)[C@H]3C2)c1 96216575 PRHJQSFYDUXFTH-CGTJXYLNSA-N 311.385 2.002 0 40 DEAB N#CN(CCn1cncn1)c1ccc(F)c(Br)c1 96447836 FKYHQOXFWDSLIP-UHFFFAOYSA-N 310.130 2.167 0 40 DEAB CN(C)CCOC[C@@H]1CC[C@@H]2[C@@H]1OCCN2Cc1cccs1 96055200 TZDISLJCDSEHBM-USXIJHARSA-N 324.490 2.306 0 40 DEAB COCc1csc(NS(=O)(=O)CCc2ccccc2)n1 96462642 QGYWOTSSSRBEPH-UHFFFAOYSA-N 312.416 2.274 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4csc(C)n4)C[C@H]3O2)n1 96042728 RRVSGUNGQDLLNV-IACUBPJLSA-N 320.418 2.495 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccsc2)N1c1cccnc1 96055711 SQOCAFAYCPMBRV-UONOGXRCSA-N 313.382 2.163 0 40 DEAB Cn1cc([C@](C)(O)CNC2CC(c3ccc(F)cc3)C2)cn1 97371091 HOOCBDWSBWKMIW-QWFMPGPPSA-N 303.381 2.303 0 40 DEAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3CCN3CCCCC3)O2)n1 96040888 KZEVCDVREVFDHQ-OAGGEKHMSA-N 320.437 2.158 0 40 DEAB CC(=O)N1CCC[C@H](Cc2cnc(Nc3ccccn3)cn2)C1 257256890 KNHOWJCEQUKICI-CQSZACIVSA-N 311.389 2.416 0 40 DEAB CN(C(=O)c1cncs1)[C@H]1CCCN(c2ccccn2)C1 257313905 UUPTXQZOSRCBSB-LBPRGKRZSA-N 302.403 2.279 0 40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@H](Cc4ccn[nH]4)C3)cn2c1 257239697 HQJVQXKZBBFDKJ-CQSZACIVSA-N 323.400 2.461 0 40 DEAB Cc1cc(N)nc([C@]2(C)CCCN2C(=O)c2c(C)noc2C)n1 257293769 QRDLBLRRZKPLTP-INIZCTEOSA-N 315.377 2.123 0 40 DEAB Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3[nH]ncc3C)C2)n1 257314049 UVDDLSMQTGOAGI-HNNXBMFYSA-N 315.421 2.328 0 40 DEAB CC(=O)N1[C@@H]2CN(C(=O)c3ccccn3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257311691 UKQFTEGMVHAVGH-JXSMBQFASA-N 313.401 2.086 0 40 DEAB c1ccc(CO[C@H]2CN(Cc3cc[nH]n3)C[C@@]23CCCO3)cc1 257201588 AIFWFHCZVWPNKF-ROUUACIJSA-N 313.401 2.360 0 40 DEAB O=C(c1cnc[nH]1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 585275071 VOLDUZNLRWTMHV-GJZGRUSLSA-N 319.792 2.271 0 40 DEAB C[C@@H](CNC(=O)[C@@H](C)NC(=O)CC1CCCCC1)N1CCCC1 69530590 NEUCTXQGLSEBNE-LSDHHAIUSA-N 323.481 2.062 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN([C@@H](C)c3nnc(C)o3)C2)n1 69847601 BPQKPGGSMOJOHM-IINYFYTJSA-N 304.398 2.060 0 40 DEAB O[C@@H](COc1ccc(F)cc1)CSc1nnc2ccccn12 32750976 PHHUKTUSJGJDEH-LBPRGKRZSA-N 319.361 2.400 0 40 DEAB O=S(=O)(NCc1cccc2cccnc12)N1CCCCCC1 84493883 TYCLMBIXNQITSZ-UHFFFAOYSA-N 319.430 2.445 0 40 DEAB C[C@H](CC(=O)N1C[C@H](CO)OC[C@H]1C)c1ccc(F)cc1F 95450103 SZQDTBOUOKUBED-NQBHXWOUSA-N 313.344 2.067 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N2CC(Oc3ccncc3)C2)c1 1775973359 GWVCSIVFUAMYNF-UHFFFAOYSA-N 318.398 2.150 0 40 DEAB CC[C@H]1CN(S(=O)(=O)c2ccccc2)CC[C@H]1CC(=O)O 5414817 BRPRSGWSNYXHLT-STQMWFEESA-N 311.403 2.198 0 40 DEAB biogenic,in-vitro O=C(CCSc1nncs1)NC(=O)NCc1ccccc1 11676302 YXRXENHXKZXLSS-UHFFFAOYSA-N 322.415 2.046 0 40 DEAB COc1ccc(NC(=O)[C@H]2C=CCN2C(=O)c2ccco2)cc1 12115045 QHFSJJQMIAARTA-CQSZACIVSA-N 312.325 2.308 0 40 DEAB O=C(O)[C@H]1CN(C(=O)c2ccco2)C[C@@H]1c1ccc(F)cc1 12158566 YOFPDQCDUCMEPU-OLZOCXBDSA-N 303.289 2.359 0 40 DEAB CCC[C@H](C)NC(=O)COC(=O)c1cnn(-c2ccccc2)c1 14702652 LJHDFIMYOGQDJF-ZDUSSCGKSA-N 315.373 2.334 0 40 DEAB O=C(CCCn1nnc2ccccc2c1=O)NC1CCCCC1 425466 YBHMNDVTUGZYNP-UHFFFAOYSA-N 314.389 2.021 0 40 DEAB CO[C@H]1CN(CC(=O)Nc2ccc(C)cc2)CC[C@@]12CCCO2 257248467 JDTWIWBMYASEAT-WMZOPIPTSA-N 318.417 2.203 0 40 DEAB COc1cc(N2CCC[C@H](COc3ccncc3)C2)ncn1 1889103088 COPFJOFXADJLGL-ZDUSSCGKSA-N 300.362 2.176 0 40 DEAB C[C@H](OC(=O)c1csc(-c2ccc(Cl)cc2)n1)C(N)=O 16457720 NOWGWUPBEPKAGU-ZETCQYMHSA-N 310.762 2.494 0 40 DEAB COc1nn(C)cc1C(=O)Nc1cccc(Br)c1 9069807 CMDWHYHWMPSATM-UHFFFAOYSA-N 310.151 2.444 0 40 DEAB CO[C@H]1CCN(C(=O)[C@]2(C)CC=CCC2)[C@H]1Cc1cnn(C)c1 1565552891 BHJQHXIGNDUNCV-XYJFISCASA-N 317.433 2.325 0 40 DEAB C[C@](O)(CNC(=O)COCc1ccccc1)Cc1ccsc1 618256365 GYUABTRXRRIVRE-QGZVFWFLSA-N 319.426 2.375 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc3c(c2)OCO3)o1 49026969 WPTAOPUMPNVLMC-NSHDSACASA-N 304.302 2.172 0 40 DEAB COC[C@H](C)NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 79569125 MFLGOIAOANSBAY-FZMZJTMJSA-N 312.797 2.458 0 40 DEAB O=C1S/C(=C/c2cccs2)C(=O)N1CN1CCOCC1 20036476 LKRZEDGYKVBQHS-DHZHZOJOSA-N 310.400 2.074 0 40 DEAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 40466481 DVDCGPXXYBGZFE-SSDOTTSWSA-N 308.186 2.367 0 40 DEAB COc1cccc(N2CCN(C(=O)c3scnc3C)CC2)c1 40534012 JWNHFEJNTOWZEY-UHFFFAOYSA-N 317.414 2.423 0 40 DEAB CN1O[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]1c1ccccc1 100918598 QDOJDBACNOLGSS-OAGGEKHMSA-N 308.337 2.163 0 40 DEAB COc1ccccc1-c1cc(C(=O)NC[C@@H]2CCOC2)no1 41366070 GWNZFRGCCLHWCL-NSHDSACASA-N 302.330 2.117 0 40 DEAB COc1ccccc1NCN1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 103121221 XLEQIBZARZRKQY-UPJWGTAASA-N 302.374 2.486 0 40 DEAB COc1ccc(NC(=O)Cn2nnc(-c3cccs3)n2)cc1 418256 COMBPPYQWGUYMO-UHFFFAOYSA-N 315.358 2.049 0 40 DEAB Cc1ccc(C(=O)N(C)C)cc1S(=O)(=O)Nc1ccccc1 571593 XZUSWNHIYFLAHW-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB CN1CC[C@@H](C(=O)N(Cc2ccco2)CC(F)(F)F)CC1=O 78886233 PBRGRXVYMJFECS-SNVBAGLBSA-N 318.295 2.039 0 40 DEAB CC1(C)CC(NC(=O)[C@H]2COc3ccccc3O2)CC(C)(C)N1 47221496 MXLGXASWHRZZLA-OAHLLOKOSA-N 318.417 2.252 0 40 DEAB COCc1csc(NC(=O)NCc2nccn2CC(C)C)n1 78938267 RCCMIVPAAVWNHE-UHFFFAOYSA-N 323.422 2.464 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CCCN(Cc3ccon3)C2)nc1 78969090 CCFJJUWLNRKIIK-ZDUSSCGKSA-N 300.362 2.229 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)CC1 69518009 OLHJEODFLZUOJW-ROUUACIJSA-N 321.509 2.440 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)o1 42058135 ARLPAYQYYKAWFK-GWCFXTLKSA-N 313.357 2.291 0 40 DEAB C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 7881691 BSLWHTUUKRKFSE-JIMOISOXSA-N 318.760 2.182 0 40 DEAB Cc1nccn1CCCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69588147 STKVVYVDLBERSM-JKSUJKDBSA-N 304.438 2.057 0 40 DEAB CC(C)c1ccc(N2C[C@@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 100759891 GSGREUANUSWPFE-OIPACUDHSA-N 313.353 2.181 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)NCCCn1ccnc1 42897200 OZSVSTFKTIPHJE-LBPRGKRZSA-N 320.368 2.481 0 40 DEAB Cn1ccc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)cc1=O 55209357 XRXSVDOBXKPFIY-MRXNPFEDSA-N 317.410 2.378 0 40 DEAB CCOC(=O)c1nnc2c(-c3cccs3)c(CC)nn2c1N 9287634 BFYZIAPRBYRVQA-UHFFFAOYSA-N 317.374 2.174 0 40 DEAB CN1CCN(C(=O)/C=C/c2cccc(Br)c2)CC1 59843243 MVXOBTZEBVGFDJ-AATRIKPKSA-N 309.207 2.236 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cccn2C)c1C 9741100 HOVQVHJEOVUKBS-UHFFFAOYSA-N 302.330 2.212 0 40 DEAB Cc1occc1C(=O)N1CCN(C(=O)NCC2CCCC2)CC1 56878458 GSSCOCNMRVUXSK-UHFFFAOYSA-N 319.405 2.246 0 40 DEAB O=C(CN1CCN(c2ccc(F)cc2)CC1)NC1CCCC1 57363997 ZDKCXPPYBRMGER-UHFFFAOYSA-N 305.397 2.007 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCCCN2CCCC2=O)o1 57787011 LETITNNPCSEKLF-UKRRQHHQSA-N 318.417 2.464 0 40 DEAB NCC1CCN(C(=O)c2ccc(F)cc2Br)CC1 44512690 RGWNPJZFCREQIS-UHFFFAOYSA-N 315.186 2.399 0 40 DEAB CCC1(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)COC1 84735407 CCXAQTZYVZEIEV-AWEZNQCLSA-N 318.373 2.169 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N[C@@H]3CCCC[C@H]3O)cnc21 58316083 ITZVNYGNBWRLIH-ZIAGYGMSSA-N 317.393 2.437 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCc1ccccc1OC)C(=O)OC 2333166 TYKHLKOSAOIXGT-RISCZKNCSA-N 308.378 2.082 0 40 DEAB COc1c(C)cnc(CN(C)C(=O)c2c(C)nn(C)c2C)c1C 58957942 BBSHSMCSPRFMHK-UHFFFAOYSA-N 316.405 2.330 0 40 DEAB COc1cc(OC)cc(C(=O)NCCCn2nc(C)cc2C)c1 23246329 PMVWPEPCNNWPSR-UHFFFAOYSA-N 317.389 2.337 0 40 DEAB Nc1cccc(C(=O)N[C@@H](CSc2ccccc2)C(=O)O)c1 22065766 LQJBCLLRNLAOGW-AWEZNQCLSA-N 316.382 2.244 0 40 DEAB in-vitro CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)cc1 170620968 QKVLBDTVSNTDJH-ZOWXZIJZSA-N 320.414 2.136 0 40 DEAB C[C@@H](NC(=O)COC(=O)c1ccc(O)cc1O)c1ccccc1 3417777 BPXXMOHVFKSNIM-LLVKDONJSA-N 315.325 2.132 0 40 DEAB CC(C)N(C(=O)Cn1nnc(-c2ccco2)n1)c1ccccc1 12972537 OGQAJHKXVPFACU-UHFFFAOYSA-N 311.345 2.375 0 40 DEAB COC(=O)[C@](C)(NC(=O)c1cc(C)no1)c1cc(F)ccc1F 69737519 PMUSQUJXIUQOLV-OAHLLOKOSA-N 324.283 2.079 0 40 DEAB COc1ccc(CCC(=O)NCc2cccnc2)cc1OC 28200339 ZUGLABGBHWNBPA-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)O)cc1 13087607 RIWUBFJKQBNTPZ-LBPRGKRZSA-N 311.403 2.267 0 40 DEAB Cc1cccc(-c2nc(CN3CCc4c(ncn4C)C3)no2)c1 69842463 YZLYLZNTHYEAAS-UHFFFAOYSA-N 309.373 2.337 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1CC 69895021 URLQUPNHIWCSBF-QWHCGFSZSA-N 308.451 2.189 0 40 DEAB Cc1c(-c2n[nH]c(=S)n2C)sc2nc3n(c(=O)c12)CCC3 4387488 DUEGGXQBQPOAMV-UHFFFAOYSA-N 319.415 2.171 0 40 DEAB C[C@@H](C(=O)N(C)[C@H](C)Cc1ccc(O)cc1)N1CCSCC1 95445811 DOMPCZHTVFPBQQ-KGLIPLIRSA-N 322.474 2.219 0 40 DEAB CN(CC1(O)CCCC1)S(=O)(=O)c1cc(F)ccc1Cl 95448569 XTRFCEZJYRZYAB-UHFFFAOYSA-N 321.801 2.405 0 40 DEAB CSc1ccccc1NC(=O)COC(=O)c1cccnc1N 14126128 OQPZKAZHGHMGLP-UHFFFAOYSA-N 317.370 2.181 0 40 DEAB CCN1CCC(N(CCCO)C(=O)Nc2ccccc2)CC1 4556366 SBFCUSWYPRMZLR-UHFFFAOYSA-N 305.422 2.387 0 40 DEAB S=C1NC2=C(C3=NCCN3)CCC[C@@H]2[C@H](c2ccccc2)N1 6537754 IEPMWIFZGHMDID-OCCSQVGLSA-N 312.442 2.261 0 40 DEAB c1ccc(CCNCc2cccn2CCN2CCOCC2)cc1 4681165 AIWIVCLUHZVOEV-UHFFFAOYSA-N 313.445 2.153 0 40 DEAB COc1ccc(C(=O)C2=NN(C(C)=O)C[C@H]2c2ccco2)cc1 4815148 KFWLQJQXXRMTHE-AWEZNQCLSA-N 312.325 2.473 0 40 DEAB Cc1noc(C)c1CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 9442706 JDLSDQPPCQMREQ-QGZVFWFLSA-N 311.341 2.185 0 40 DEAB CC(=O)N1CCC(NC(=O)COc2c(C)cccc2Cl)CC1 70039208 WOLBDDDBMTYKHZ-UHFFFAOYSA-N 324.808 2.154 0 40 DEAB CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](C)c1nncn1C 70009031 OIZVJQZLCOBVBK-SNVBAGLBSA-N 323.347 2.386 0 40 DEAB COc1c(Cl)cc(NC(=O)[C@H]2CC(=O)N(C)C2)cc1Cl 69324073 VDHGRAUZOCMGDZ-ZETCQYMHSA-N 317.172 2.419 0 40 DEAB CC(=O)N1CCC(NC(=O)c2c[nH]nc2C2CCCCC2)CC1 69369742 CHRCKWQETOTYHQ-UHFFFAOYSA-N 318.421 2.198 0 40 DEAB Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)c1 69489123 OBZYKCOEIKTQHP-NEPJUHHUSA-N 324.808 2.140 0 40 DEAB Cc1noc([C@H](C)N2CCN([C@H](C)c3cccnc3)CC2)n1 69433493 XSAVRBABSRFSFT-OLZOCXBDSA-N 301.394 2.213 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)[C@H](C)Sc2nncs2)cc1 69413709 PEXRHSKFZSQJOR-JQWIXIFHSA-N 323.443 2.177 0 40 DEAB C[C@@H](OC(=O)[C@@]1(C)CCCO1)c1ccc(-n2cncn2)cc1 95450013 WOXLCCBFLIHCEN-MLGOLLRUSA-N 301.346 2.441 0 40 DEAB Cc1cc(N2CC[C@@H](C(N)=O)C2)c2cc(OC(F)F)ccc2n1 95400226 UZXFBOSQIVKCFJ-SNVBAGLBSA-N 321.327 2.456 0 40 DEAB C[C@@H](CNC(=O)c1cc2c(F)cccc2[nH]1)N1CCOC[C@H]1C 71900312 BZAPAJSFZKEMFR-NWDGAFQWSA-N 319.380 2.146 0 40 DEAB C[C@@H](C(=O)Nc1ccc(O)c(Cl)c1)N1CCSCC1 97060344 REYBPEUOGUWQCR-VIFPVBQESA-N 300.811 2.421 0 40 DEAB CC[C@@H]1c2cccn2CCN1C(=O)c1ccc(C(=O)OC)nc1 97084884 YXIFVJKVKAXWFP-CQSZACIVSA-N 313.357 2.277 0 40 DEAB COc1c([C@H]2CCCN2Cc2cnc(C)cn2)c(C)nn1C 72253799 XMNBZKGTDHGLMT-CQSZACIVSA-N 301.394 2.173 0 40 DEAB CCn1cc(C(=O)N2CCC[C@H](n3cncn3)C2)c(C(C)C)n1 72293507 ZVTUOIFPKQVPFT-ZDUSSCGKSA-N 316.409 2.095 0 40 DEAB COc1ccc([C@H]2C[C@@H](C)N(c3nc(N)nc4[nH]cnc34)C2)cc1 97115344 WKYBQQZNBPQLSY-PWSUYJOCSA-N 324.388 2.326 0 40 DEAB CCn1ncc2c(C(=O)NC[C@H](C)O)cc(-c3ccccc3)nc21 97178321 RSMDCFYNZDYIAT-LBPRGKRZSA-N 324.384 2.229 0 40 DEAB CC[C@@H]1CN(C(=O)CSCC(N)=O)CC[C@@H]1c1ccccc1 74283508 MHDJOBGPGWMFOS-HIFRSBDPSA-N 320.458 2.247 0 40 DEAB Cc1nc2cc(C(=O)N[C@@H](C(=O)O)c3ccccc3)ccc2n1C 95969948 KXVAHRUZUYFILH-MRXNPFEDSA-N 323.352 2.437 0 40 DEAB CCN(CC)C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 95944315 ILOUEDSQPQGMAG-OAHLLOKOSA-N 304.390 2.422 0 40 DEAB O=C(N[C@@H]1CCC[C@@H](C(=O)O)C1)c1c(Cl)nc2ccccn12 95991873 UKZNOGIBWCTPES-NXEZZACHSA-N 321.764 2.361 0 40 DEAB COc1cc(NC(=O)N(C[C@H](C)O)C(C)C)ccc1NC(C)=O 75094202 JXLBOSXWLPGCKK-NSHDSACASA-N 323.393 2.277 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)n2cncn2)C12CCCCC2 75093093 NXUZFTYRIOCBBP-MGPQQGTHSA-N 306.410 2.083 0 40 DEAB Cc1nn2cccnc2c1C(=O)N[C@H]1CCc2c(O)cccc21 75137197 LVOHEDBOIFEGMN-ZDUSSCGKSA-N 308.341 2.161 0 40 DEAB OC1(CNCc2ccc(N3CCCC3)nc2)CCSCC1 89794246 HZLZRYWCIDLHHU-UHFFFAOYSA-N 307.463 2.030 0 40 DEAB CCOCCC1(CNC(=O)c2c[nH]c(=O)cc2C)CCCC1 89986878 OIQQAZCLFIPCRX-UHFFFAOYSA-N 306.406 2.400 0 40 DEAB O=C(CN1CCC[C@H]1c1noc(C2CC2)n1)Nc1cccnc1 76047480 QNNFHXSIJLTWDT-ZDUSSCGKSA-N 313.361 2.118 0 40 DEAB COc1cc(C)cc(C(=O)NOCCOc2ccccc2)c1O 1558778287 TZEIVRGVIBHHFE-UHFFFAOYSA-N 317.341 2.450 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccn3)o2)n1 27980432 BSQOWJZSCZWUHG-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB C[C@H]1CN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C[C@@H](C)O1 25411164 WYWRSQFEKYSKCP-WCVJEAGWSA-N 304.434 2.404 0 40 DEAB CCCOCc1nn(CCF)cc1I 408715887 GHVWSTNMGSVQRP-UHFFFAOYSA-N 312.126 2.384 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2cn3ccccc3n2)c1 75602051 NEPITJTYVNKMCM-MRXNPFEDSA-N 323.400 2.073 0 40 DEAB CCn1nc(C)c(NC(=O)c2cccc(Cl)c2)c1C(N)=O 72265478 WTNWYWFCXSVXDZ-UHFFFAOYSA-N 306.753 2.216 0 40 DEAB COc1cc(Cl)ccc1S(=O)(=O)NCc1ccccn1 41091758 OSWKJLMJQVANFD-UHFFFAOYSA-N 312.778 2.222 0 40 DEAB CCO[C@H]1C[C@](O)(CNC(=O)[C@@H](C)c2ccccc2)C1(C)C 225613305 JWPCKQCXJPZROE-YEWWUXTCSA-N 305.418 2.472 0 40 DEAB O=C(NC1(CF)CCOCC1)c1cnc(-c2cccnc2)s1 572242177 LDDWLXQCAHFZMK-UHFFFAOYSA-N 321.377 2.454 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC[C@H](CO)C1 96503328 DRNPSSDMYOCHNS-OCCSQVGLSA-N 322.453 2.421 0 40 DEAB COC[C@@]12CCO[C@@H]1CCN(C(=O)COc1ccc(C)cc1)C2 96110342 VSQVHJISVPFKCD-AEFFLSMTSA-N 319.401 2.028 0 40 DEAB CC(C)c1cnc(Sc2ccc3nnnn3n2)n1C1CC1 96417345 AEYFDMZDYOHPDB-UHFFFAOYSA-N 301.379 2.325 0 40 DEAB Cc1cccc(C2(CNC(=O)[C@@H]3CCC(=O)NC3)CCCC2)c1 96403375 IKEXXXJQCJNSDE-OAHLLOKOSA-N 314.429 2.449 0 40 DEAB CN1C[C@H](N[C@@H](Cc2ccccc2)C(F)(F)F)CCC1=O 96478041 ZEJVIZJSYFVHLG-OLZOCXBDSA-N 300.324 2.370 0 40 DEAB O=C(NCCNc1cccc(Br)c1)c1cnccn1 96499566 JWUREJIPGWPNJM-UHFFFAOYSA-N 321.178 2.081 0 40 DEAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1ccccc1C)C2 96217974 MSONMPZMTXEDSO-MAUKXSAKSA-N 302.418 2.035 0 40 DEAB O=C1NC2(CCN(Cc3ccoc3)CC2)C[C@H]1c1ccncc1 96199535 OEMYDUDZRPTYTR-INIZCTEOSA-N 311.385 2.313 0 40 DEAB CC[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1CCOCC1 249201979 UEHDJJZDMRHOEE-AGIUHOORSA-N 322.371 2.335 0 40 DEAB Cc1cc(CC[C@H]2CCCN2S(=O)(=O)N2CCCC2)ccn1 257221938 DRFJLLGJOZVXCL-MRXNPFEDSA-N 323.462 2.128 0 40 DEAB CC(=O)N1[C@@H]2CN(C(=O)c3cncs3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257293688 QQSFWFMDXZSSSR-ZGMNHVEMSA-N 319.430 2.147 0 40 DEAB CNC(=O)CN1CCC[C@@H]1c1ccnc(Nc2ccccn2)c1 257278824 ODUSLMIBLIQTRT-CQSZACIVSA-N 311.389 2.103 0 40 DEAB CN(C(=O)c1cncs1)[C@@H]1CCCN(c2ccccn2)C1 257313904 UUPTXQZOSRCBSB-GFCCVEGCSA-N 302.403 2.279 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(CN(C)C)cc3)C2)n1 257317330 VJIKCMKSAFWUTK-INIZCTEOSA-N 312.417 2.409 0 40 DEAB Cc1noc(C)c1-c1cc(C2CCN(C(=O)CN)CC2)ccn1 257304453 SLSKJDHGFSXNSK-UHFFFAOYSA-N 314.389 2.018 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)Cn3ccnc3C)C2)cn1 257317417 VJRGIQBVUUFYRO-KRWDZBQOSA-N 312.417 2.376 0 40 DEAB CN(C)c1nccnc1[C@H]1CN(Cc2cccs2)CCO1 257336109 YNFOYBPOVGGEFY-CYBMUJFWSA-N 304.419 2.178 0 40 DEAB c1ccc(C[C@@H]2CC3(CCN(c4ncccn4)CC3)CO2)nc1 257222554 DTSLGRFWFXTQFM-MRXNPFEDSA-N 310.401 2.490 0 40 DEAB CC(=O)N1CC[C@H](Cc2cncc(-c3c(C)noc3C)n2)C1 257236768 HDSDDLXPBBEJNE-CYBMUJFWSA-N 300.362 2.159 0 40 DEAB Cc1ncccc1C(=O)N1CC[C@H](Oc2ncc(Cl)cn2)C1 575605328 JRNILGNZDPEALE-LBPRGKRZSA-N 318.764 2.127 0 40 DEAB CC1(C)CCN(C(=O)N[C@H]2CC[S@](=O)C2)CC(C)(C)C1 685938908 AGUKYKSAQLYCFQ-YUNKPMOVSA-N 300.468 2.365 0 40 DEAB CCn1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3)cn1 47154526 UDRZSMORSYPBTB-JTQLQIEISA-N 313.361 2.280 0 40 DEAB O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)C1CCCCC1 47343620 PZIZKZSGKMMRDT-INIZCTEOSA-N 315.417 2.269 0 40 DEAB CCCN1CC[C@@H](CNC(=O)NC2CC(C)(C)NC(C)(C)C2)C1 54510558 RJOOPUHVRSOULR-AWEZNQCLSA-N 324.513 2.327 0 40 DEAB Cc1ccsc1CCC(=O)N1CC(OC[C@H]2CCOC2)C1 1565522518 RWIWVVQNYFECES-ZDUSSCGKSA-N 309.431 2.253 0 40 DEAB CCN(Cc1cnc(C)cn1)[C@@H]1CCN(c2ccccc2)C1=O 75610349 GFRYSQWAZNQAKC-QGZVFWFLSA-N 310.401 2.412 0 40 DEAB O=C1C[C@@H](NS(=O)(=O)c2ccc(Cl)nc2)c2ccccc21 95467475 IKIJAEXXDWPOAD-GFCCVEGCSA-N 322.773 2.341 0 40 DEAB O=C(N[C@H]1CC[C@H](C(=O)O)C1)c1coc(Br)c1 97231737 ZHOHDODMRMRAHQ-XPUUQOCRSA-N 302.124 2.025 0 40 DEAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 5175451 ALIIIWWOFFCEST-HMEQZMJYSA-N 311.337 2.209 0 40 DEAB COc1ccc(N(C(=O)C(C)(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1 5071423 ILLHGRQJOOIEBY-CYBMUJFWSA-N 323.414 2.385 0 40 DEAB COc1cccc(OC)c1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 12170276 APTCTONTNWIXCI-ZNMIVQPWSA-N 323.433 2.421 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1ccc(F)c(Br)c1 169196482 BOVXFABWJBXKKS-ZANVPECISA-N 302.187 2.491 0 40 DEAB O=C(CCc1ccsc1)OCc1cc(=O)n2ccccc2n1 18372610 FILZKGNLOGKQHF-UHFFFAOYSA-N 314.366 2.432 0 40 DEAB Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2ccccc21 28023795 HCDAQRLSAHBVGP-UHFFFAOYSA-N 300.358 2.157 0 40 DEAB Cc1nc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cs1 1565552003 NEZMWYOHYFICCQ-UHFFFAOYSA-N 316.430 2.107 0 40 DEAB CC1(C)CC(=O)C2(CC(=O)N3CCc4ccccc4[C@@H]32)C(=O)C1 517824 XWJSSKCWMVQYQS-QGZVFWFLSA-N 311.381 2.461 0 40 DEAB biogenic COC[C@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 20169319 GRDSFLZGWBWTBZ-ZDUSSCGKSA-N 308.397 2.189 0 40 DEAB Cc1cc(C)n(CC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 31522314 DEWIMRGSCDLPTJ-UHFFFAOYSA-N 312.373 2.265 0 40 DEAB CN(C)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccs1 31931277 HQNCTZOJPAVGJJ-ZDUSSCGKSA-N 315.398 2.054 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)c(C)c1 21110222 CDNQWDLEAZDPCR-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB Cc1ccc(CC(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 47288792 VYHHDININFBFJN-UHFFFAOYSA-N 324.428 2.481 0 40 DEAB COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@H]1C(=O)O 33454407 HJANMUNUPZDMSM-NTYUQYKDSA-N 309.749 2.437 0 40 DEAB Cc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)n1 41818634 CJMGHUCRCCMISM-UHFFFAOYSA-N 319.386 2.038 0 40 DEAB CC(C)c1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)O)[C@@H]4C2=O)cc1 4073304 GSGREUANUSWPFE-AFIMGQEJSA-N 313.353 2.181 0 40 DEAB CC(=O)Nc1nc(C(=O)NCC2(N(C)C)CCCCC2)cs1 42379387 GJQIIXMJFOYOEP-UHFFFAOYSA-N 324.450 2.096 0 40 DEAB O=C(N[C@@H]1CCCCNC1=O)c1cc(Cl)cc(Cl)c1 42477891 YBDKWFFNLBQRCQ-LLVKDONJSA-N 301.173 2.392 0 40 DEAB O=C1NCCCC[C@H]1NCc1ccc(OCC(F)(F)F)cc1 42854837 HZBILYCNNBZZLL-CYBMUJFWSA-N 316.323 2.386 0 40 DEAB COCCNC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1 42842613 UVTYJTZEMUUMET-ZDUSSCGKSA-N 308.378 2.197 0 40 DEAB COC(=O)c1ccc(C)c(NCC(=O)Nc2cc(C)no2)c1 24238965 YRRKYJJRISCOSW-UHFFFAOYSA-N 303.318 2.129 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCOc3ccccc32)c1C 24586151 GJAQICYPVGYCDX-UHFFFAOYSA-N 314.341 2.457 0 40 DEAB Nc1nccnc1C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 24694810 WSEJFPPXQFGMAP-LLVKDONJSA-N 323.356 2.220 0 40 DEAB Cc1noc(C2CCN(C(=O)CCc3nccs3)CC2)n1 55320008 UFFOUJCUZWRKMT-UHFFFAOYSA-N 306.391 2.173 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)NC[C@H]1CCCOC1 55925494 MELCNMABKYLUPN-LLVKDONJSA-N 318.402 2.065 0 40 DEAB CCn1/c(=N/C(=O)c2ccno2)sc2cc(OC)ccc21 101120954 IXOGEZIHHYPTBV-PEZBUJJGSA-N 303.343 2.460 0 40 DEAB CN(C)[C@@H](CNc1cncc(-n2cccn2)n1)c1ccsc1 58077474 MPRMQEJBLTXUOW-ZDUSSCGKSA-N 314.418 2.439 0 40 DEAB COC(=O)C1CCN(C(=O)CCOc2ccc(C)cc2)CC1 44867189 NPXZKLWGXMAANM-UHFFFAOYSA-N 305.374 2.176 0 40 DEAB C[C@H]1CCc2sc3ncn4nc(CCC(=O)O)nc4c3c2C1 2194689 BDRFPVSZSVUPQG-QMMMGPOBSA-N 316.386 2.481 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1C(=O)c1ccc[nH]1 72277597 RNUBVYGOPIIXTC-RYUDHWBXSA-N 307.394 2.485 0 40 DEAB COc1ccc(-c2nnc(CN3C[C@H](C)OC[C@H]3C)o2)cc1 44910825 BNRHKBFPCKQNRK-NEPJUHHUSA-N 303.362 2.354 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)NC(C1CC1)C1CC1 22385429 XHVZYRKGUIRXSE-UHFFFAOYSA-N 300.358 2.289 0 40 DEAB COc1ccc2ccccc2c1CN[C@@H]1CCS(=O)(=O)C1 37116660 SFAIIWLYTVQTCB-CYBMUJFWSA-N 305.399 2.125 0 40 DEAB COc1ccccc1CN(C)C(=O)[C@@H]1COc2ccccc2O1 3413748 BAEGBZISIZCDGP-KRWDZBQOSA-N 313.353 2.494 0 40 DEAB COc1ccc2nc(NC(=O)[C@@H](NC(C)=O)C(C)C)sc2c1 12950089 HLVFLFYJQONNFB-ZDUSSCGKSA-N 321.402 2.404 0 40 DEAB CCOCC(=O)Nc1nnc(Cc2ccccc2OC)s1 9095488 VHHMAQQIJJIMHU-UHFFFAOYSA-N 307.375 2.113 0 40 DEAB CCN(CC)CCNC(=O)C1CCN(Cc2ccccc2)CC1 63696747 PDFMUDKWURSGBC-UHFFFAOYSA-N 317.477 2.357 0 40 DEAB O=C(COC(=O)c1ccccc1)NCCc1ccc(F)cc1 5128179 XFUZSBHLKHSHHJ-UHFFFAOYSA-N 301.317 2.341 0 40 DEAB COC[C@@H](O)CN(C)C(=O)N[C@@H]1CC(C)(C)Cc2oc(C)cc21 65444461 GPTNJYTXWRNWAX-GXTWGEPZSA-N 324.421 2.250 0 40 DEAB CNC(=O)[C@H](CC(C)C)NC(=O)CCCOc1ccccc1F 65490684 XUKPREUENAOKAD-AWEZNQCLSA-N 324.396 2.262 0 40 DEAB CC(C)NC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 14020700 SKOOPQHXQBXFNV-UHFFFAOYSA-N 316.327 2.340 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)Cn1cncn1)c1nc2ccccc2[nH]1 65615219 MQCYNPPUWUZWRP-XHDPSFHLSA-N 312.377 2.058 0 40 DEAB COCCn1ccc(NC(=O)NC/C=C/c2ccccc2)n1 95396261 YJYACUMTORPWBO-VMPITWQZSA-N 300.362 2.364 0 40 DEAB CC(C)c1ccc(C(=O)CSc2nc(N)cc(=O)[nH]2)cc1 5522901 TXOVWYSOJRRBEL-UHFFFAOYSA-N 303.387 2.451 0 40 DEAB COc1ccc(C(=O)NN2Cc3ccccc3C2=N)cc1OC 6679016 HKWUCDVPJKWMJV-UHFFFAOYSA-N 311.341 2.190 0 40 DEAB COc1ccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)cc1 6764550 RWOPTBWNNCLGHZ-UHFFFAOYSA-N 321.336 2.493 0 40 DEAB C/C(=C\C(=O)N1CCC[C@H](C(N)=O)C1)c1ccccc1Cl 96292660 HTIZMLWSCWLUNT-ZKQHCESOSA-N 306.793 2.467 0 40 DEAB O=C(c1cccc(-n2cccc2)c1)N1CCN(C(=O)C2CC2)CC1 15480564 UWJXIYFRSYHCOC-UHFFFAOYSA-N 323.396 2.172 0 40 DEAB Cc1cc(NC(=O)COC(=O)Cc2ccccc2Cl)no1 7534194 DEYLVTXCVDJMRU-UHFFFAOYSA-N 308.721 2.361 0 40 DEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2cccnc2)cc1 96446741 DGYNTHBRFMYIRY-SUMWQHHRSA-N 323.396 2.404 0 40 DEAB CCS(=O)(=O)CCN1CCC(c2c[nH]c3ncccc23)CC1 96424363 WHSFZHUJDACRDS-UHFFFAOYSA-N 321.446 2.177 0 40 DEAB COCCN(CC(F)(F)F)C(=O)[C@H]1Cc2cccc(F)c2O1 96425081 MGNIWMRWUQZODV-LLVKDONJSA-N 321.270 2.167 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408595682 RBUFUSYGFYBCQY-CYBMUJFWSA-N 324.446 2.308 0 40 DEAB COc1ccc(CNC(=O)N2CCCC[C@@H]2[C@H](C)O)cc1OC 69484271 TYWXDUXRMSAFGA-GXTWGEPZSA-N 322.405 2.149 0 40 DEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]2CN2CCCC2)cc1 69420937 MPKGEJPNPTYXGG-MRXNPFEDSA-N 316.401 2.174 0 40 DEAB CCn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cn1 71883213 HROWPZUUPZONIR-LLVKDONJSA-N 316.336 2.034 0 40 DEAB Cc1nnc(SCc2ccc(Cl)s2)n1CC(N)=O 69565319 IEXGCYNAZPGVQG-UHFFFAOYSA-N 302.812 2.079 0 40 DEAB CC(C)(C)C[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(F)cc1 69570953 DOKPZYUMEXSQNV-LLVKDONJSA-N 306.341 2.144 0 40 DEAB COc1cccc([C@H](C)N2CCN(C(=O)NC3CC3)CC2)c1 69703168 GFOIONCJTKUVMR-ZDUSSCGKSA-N 303.406 2.246 0 40 DEAB COCCN1CCN(CCOc2cccc(Cl)c2)C[C@H]1C 69981672 JOVMZILKGYTAOV-CQSZACIVSA-N 312.841 2.371 0 40 DEAB COC[C@H]1CN(C(=O)NCc2ccc3ccccc3c2)CCO1 74103027 IHXMNUVXXQLDCH-QGZVFWFLSA-N 314.385 2.397 0 40 DEAB COC(=O)c1sccc1Cn1cnc2sccc2c1=O 89404219 JRPMFCDWUDGWPH-UHFFFAOYSA-N 306.368 2.354 0 40 DEAB COCCCN1CCC(NC(=O)N2C[C@@H](C)CC[C@H]2C)CC1 89922700 GJORGTWRGADFIB-LSDHHAIUSA-N 311.470 2.317 0 40 DEAB Cc1ncc(CN2CCc3nn(C(C)C)c(=O)cc3C2)s1 76064873 ASWFGPHCAYESHB-UHFFFAOYSA-N 304.419 2.147 0 40 DEAB Cc1ccc(C)c(OCC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)c1 1549745602 MLKTUXPUPVDSIX-CYBMUJFWSA-N 314.389 2.121 0 40 DEAB CCOC(=O)c1cnc2c(CC)cccc2c1N1CCNCC1 64874814 KCBSWYKENNSKPU-UHFFFAOYSA-N 313.401 2.384 0 40 DEAB CC(C)N(CC(=O)O)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79392405 FQWXAHGJWPVPBZ-CYBMUJFWSA-N 314.426 2.429 0 40 DEAB O=C(NCCCN1CCOCC1)c1cc(-c2ccco2)cs1 72259973 TWCMWVUFKNIUKR-UHFFFAOYSA-N 320.414 2.460 0 40 DEAB CC(C)NC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)cc1 71288496 MVNSCANAADYRSI-OLZOCXBDSA-N 318.373 2.120 0 40 DEAB COCc1nc(C)cc(NCc2cnc(Br)cn2)n1 521398566 PPRPMVJCSNTPSZ-UHFFFAOYSA-N 324.182 2.096 0 40 DEAB Cc1nn(C)c2c(=O)n(Cc3cccc4ccccc34)nnc12 32649101 HMXZIFMGIQKZHN-UHFFFAOYSA-N 305.341 2.035 0 40 DEAB CC(C)(C)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1 74620334 JTEPSBYILNYGCF-UHFFFAOYSA-N 318.417 2.219 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)CCn1ncc2ccccc21 71195867 WXEAOGXLXFNPTE-OAHLLOKOSA-N 323.400 2.354 0 40 DEAB Cc1ccc(-c2ncc(C(=O)O)c(N3CCOCC3)n2)cc1C 49469309 GTHZHTCGIMDWKT-UHFFFAOYSA-N 313.357 2.295 0 40 DEAB CN1CCN([C@@H](Cc2ccc(Cl)c(Cl)c2)C(=O)O)CC1 225146228 QEFWVECXGDIDPW-ZDUSSCGKSA-N 317.216 2.237 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1 41195040 ATEBKSHTIQYNEU-NWDGAFQWSA-N 301.433 2.389 0 40 DEAB C[C@H](CC[C@H]1CCCO1)NC(=O)NCC[S@@](=O)C(C)(C)C 195530400 SALIJIMYINJEOZ-SQHYZVFZSA-N 318.483 2.181 0 40 DEAB c1cncc(O[C@@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@H]23)c1 96042424 IPBVHGNECOTWLU-FMKPAKJESA-N 317.414 2.349 0 40 DEAB CC(C)N1CCOC[C@]2(CCCN(C(=O)c3ccco3)C2)C1 96228748 IUIWQSZPZSQJEW-QGZVFWFLSA-N 306.406 2.243 0 40 DEAB CC(C)N1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3cnccc3[nH]2)C1 514289296 PKVLPVVVGDSYOO-STQMWFEESA-N 316.405 2.322 0 40 DEAB biogenic,in-vitro Cc1nccc(CNC(=O)NC[C@@H](C)Oc2ccccc2F)n1 96439145 ZEGBJCQKCKDOMX-LLVKDONJSA-N 318.352 2.191 0 40 DEAB Cc1ccc(C(=O)N2CCn3cc(CN4CCCC4)nc3C2)o1 96197235 ONMCBJYSFWHTNV-UHFFFAOYSA-N 314.389 2.036 0 40 DEAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccccn2)o1 96184690 CCPYABXIBKYXBV-DLBZAZTESA-N 311.385 2.472 0 40 DEAB Cn1cc(CNC(=O)CCc2ccc(Br)cc2)cn1 96451192 WJPVQSRADDQLOK-UHFFFAOYSA-N 322.206 2.432 0 40 DEAB CCN1C[C@@H](COC)[C@]2(CCN(C(=O)c3ccccc3C)C2)C1 96220448 BDFOOCUHDOTYFD-QFBILLFUSA-N 316.445 2.425 0 40 DEAB COCCC(=O)N1CCC2(CN(Cc3ccccc3C)C2)C1 96070743 ANQNVIHVHCMHPZ-UHFFFAOYSA-N 302.418 2.066 0 40 DEAB CCS(=O)(=O)[C@H]1[C@H](c2cccc(Cl)c2)[C@H]1C(N)=S 242581671 OBDOWLZLEZLOMA-MXWKQRLJSA-N 303.836 2.143 0 40 DEAB CCS[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)C1CC1 248874399 CCQDBJSIMCDNDG-MGPQQGTHSA-N 310.463 2.178 0 40 DEAB CC(C)N1CCC[C@H]1C(=O)N1CCC(C)(c2ccn[nH]2)CC1 257205642 AZZPNVAMGBKPLH-AWEZNQCLSA-N 304.438 2.163 0 40 DEAB O=C(NC[C@@H](O)COc1cccc(F)c1)[C@@H]1[C@H]2CCCC[C@H]21 252487193 UICOFEPKZWRZLX-OJLVUWQFSA-N 307.365 2.118 0 40 DEAB CCC[S@@](=O)(=S)c1ccc2nc(NC(=O)OC)[nH]c2c1 390822415 UYRDJBXUSVNUKV-HXUWFJFHSA-N 313.404 2.256 0 40 DEAB O=C(N1CC2(C[C@@H](Oc3ccccn3)CS2)C1)C1(F)CCC1 575403805 ORPNNSDACFMBMQ-GFCCVEGCSA-N 322.405 2.439 0 40 DEAB CO[C@@]1(CCC(=O)N(C)C)CCCN(Cc2ncccc2F)C1 585277580 NEHZGWXBHRYABM-QGZVFWFLSA-N 323.412 2.070 0 40 DEAB Clc1ccc2ncc(-c3cccc([C@@H]4CNCCO4)n3)n2n1 585262857 MFFIOXYKTHVTKY-ZDUSSCGKSA-N 315.764 2.106 0 40 DEAB Cc1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 25811730 YAIMTYRWMZNRIF-UHFFFAOYSA-N 305.378 2.083 0 40 DEAB Cc1ncc(-c2cncc([C@@H]3CCCN3S(C)(=O)=O)n2)s1 585261131 HGXURSIALDOQAX-LBPRGKRZSA-N 324.431 2.005 0 40 DEAB CCCCC[C@@H](CC(=O)OCC)OC(=O)CCCNC(C)=O 70037979 UVPBPLZMTDKUFP-AWEZNQCLSA-N 315.410 2.348 0 40 DEAB COc1ncccc1CNC(=O)Cc1sc(S)nc1C 45918503 WWBVKRFRZPBWNQ-UHFFFAOYSA-N 309.416 2.003 0 40 DEAB O=C(NC1=NCCS1)c1cnn(-c2cccc(Cl)c2)c1 48823434 DZROXFXXMXRQKC-UHFFFAOYSA-N 306.778 2.358 0 40 DEAB CS[C@H](C)C(=O)N[C@H]1CCCN(c2cccc(F)c2)C1=O 72286477 ATZYLYGIKONNSA-MFKMUULPSA-N 310.394 2.189 0 40 DEAB COc1cc(NC(=O)N[C@@H]2CCC[C@@H](O)C2)cc(OC)c1OC 75156815 DMXDITIEDIBRLO-ZYHUDNBSSA-N 324.377 2.137 0 40 DEAB CC(C)COc1cncc(N2CCCN(C(=O)C(C)C)CC2)n1 86182229 UONJESCFKPVPCM-UHFFFAOYSA-N 320.437 2.206 0 40 DEAB CN(CCOCC1CC1)C(=O)Nc1ccc([S@@](C)=O)cc1 88391096 KILMNDZFLQFFKN-NRFANRHFSA-N 310.419 2.314 0 40 DEAB CCS[C@H]1CC[C@H](N(C)C(=O)CNC(=O)c2ccoc2)C1 95966667 LUNKQQFIKHWGAU-STQMWFEESA-N 310.419 2.142 0 40 DEAB CC[C@H](C(=O)O)N1CCC(NC(=O)c2ccccc2C)CC1 191403596 OVBPVECGJMQRAG-OAHLLOKOSA-N 304.390 2.052 0 40 DEAB O=S(=O)(C1CC1)N1CCC(Nc2ccc(Cl)cn2)CC1 84935451 NBJMNFJWBAABDF-UHFFFAOYSA-N 315.826 2.104 0 40 DEAB O=C(Cn1c(C2CCNCC2)cc2cccnc21)N1CCCC1 12337663 SFWCICAMEPGILS-UHFFFAOYSA-N 312.417 2.126 0 40 DEAB CC[C@@H](C(=O)NC(C)C)N(c1ccc(C)cc1)S(C)(=O)=O 13712927 MFVZOUYLYAWGKO-AWEZNQCLSA-N 312.435 2.064 0 40 DEAB Cc1ccc(C)c(C(=O)COC(=O)Cn2c(C)csc2=O)c1 15940621 HWBQUTPMBMZKDK-UHFFFAOYSA-N 319.382 2.261 0 40 DEAB Cc1cnccc1CN1C[C@@H](N)[C@H](c2cn(C)c3cnccc23)C1 19239537 IIYOWQQDJBGKNQ-ZWKOTPCHSA-N 321.428 2.203 0 40 DEAB O=C(c1cccnc1)N1CC[C@@H](c2nc(-c3ccccn3)no2)C1 19403029 IIGPMKVMTSDDRW-CYBMUJFWSA-N 321.340 2.156 0 40 DEAB Cc1nonc1CNC(=O)CCc1nc2ccc(Cl)cc2[nH]1 19559196 ZRYYBIBAXSMPQX-UHFFFAOYSA-N 319.752 2.157 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cn(C)cn3)C2)c1 643914656 UZVPIQHNRVOUJA-SFHVURJKSA-N 315.417 2.134 0 40 DEAB CCCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O 9708626 DLFNYKXORQWUCU-UHFFFAOYSA-N 318.377 2.138 0 40 DEAB CC(=O)OC(C)(C)C(=O)NC1(c2cccs2)CCOCC1 575606376 GUIUCZFFJRFFMB-UHFFFAOYSA-N 311.403 2.212 0 40 DEAB CC(=O)N(C)C1CCN(c2ncnc3cc(F)ccc23)CC1 1888849821 VIFSIAKREVRDKU-UHFFFAOYSA-N 302.353 2.216 0 40 DEAB CC(C)c1nc2ccccc2n1C1CN(c2nccn(C)c2=O)C1 1888875585 JCTFNWDBJGRZST-UHFFFAOYSA-N 323.400 2.315 0 40 DEAB O=C(NC1CCC1)[C@H]1CCO[C@H]2CCN(Cc3ccoc3)C[C@@H]21 1565539118 FJVPDJBBQZEWNJ-BBWFWOEESA-N 318.417 2.175 0 40 DEAB O=C([C@@H]1C[C@H]1F)N1CCC2(CCCN(c3ncccn3)C2)CC1 1565554250 VRSDVMRHLGGCCY-ZIAGYGMSSA-N 318.396 2.044 0 40 DEAB Cc1cc(=O)n(CC(=O)Nc2ccc(C(F)(F)F)cc2)cn1 36703719 XALXFSOYYVEQIW-UHFFFAOYSA-N 311.263 2.209 0 40 DEAB CCO[C@@H]1C[C@H](N(C)C(=O)CCN2CCCC2=O)C12CCCC2 96419219 VHLNCZMWWYWDJT-LSDHHAIUSA-N 322.449 2.195 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 30116514 GRKPLPJSNXLUPC-IUCAKERBSA-N 302.296 2.407 0 40 DEAB COc1cccc2c1ccn2CCC(=O)NCCCC(=O)O 40313321 IVRFGYOLBYBJSQ-UHFFFAOYSA-N 304.346 2.021 0 40 DEAB biogenic C[C@H]1Oc2ccccc2N(CCC(=O)Nc2ccccn2)C1=O 40475399 YWNGKVJDXJPJIN-GFCCVEGCSA-N 311.341 2.224 0 40 DEAB CC(C)C[C@H](NC[C@@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCC(O)CC1 101543202 FALKJTZQJJTFOV-OVWQWFNUSA-N 320.477 2.186 0 40 DEAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ncccn1 21211862 GAEXXCKWVQQBBE-UHFFFAOYSA-N 319.748 2.473 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 319483 ACIFSKBOZMQFBL-MRXNPFEDSA-N 312.325 2.424 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H]1c1ccsc1 52803731 HDALTMDMFYXEBK-ZYHUDNBSSA-N 318.450 2.479 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCOc2ccccc21)c1nnc2ccccn12 76773470 NHPFJBUYPCLBBG-OCCSQVGLSA-N 322.368 2.473 0 40 DEAB O=C(Cn1nnc2ccccc21)NCCc1c(F)cccc1F 46731675 RUESROKAMKOEPC-UHFFFAOYSA-N 316.311 2.068 0 40 DEAB O=C(c1cnn(Cc2ccccc2)c1)N1CCO[C@@H]2CCC[C@@H]21 53379137 QJCVJGXTVBBFBL-DLBZAZTESA-N 311.385 2.325 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cccnc1Cl 4645137 XYXVAIJEBDFXQB-GFCCVEGCSA-N 304.733 2.161 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 23325285 UISLGKPYBRHHCN-GFCCVEGCSA-N 308.403 2.232 0 40 DEAB CCc1n[nH]c(SCC(=O)Nc2nc3c(s2)CCCC3)n1 8199309 GBCSRJAPOVZVJO-UHFFFAOYSA-N 323.447 2.433 0 40 DEAB CCCC(=O)N1CCC(C(=O)NCCc2ccccc2)CC1 54848179 XAQUCHHIPPBBDL-UHFFFAOYSA-N 302.418 2.384 0 40 DEAB COCCNC(=O)Nc1cccc(I)c1 43317494 WNFQGLJQLZOGHA-UHFFFAOYSA-N 320.130 2.059 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc2c(c1)CCCC2 57352201 SJHWSBCDIVVSIS-CHWSQXEVSA-N 317.433 2.450 0 40 DEAB Cc1ccccc1CN1CC[C@H]2OCC[C@@]2(C(=O)N(C)C)C1 107710059 KFQAABZRFQKQQL-SJLPKXTDSA-N 302.418 2.064 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccn2)c(C)c1 58296222 YNHIRCCXKCNVFJ-UHFFFAOYSA-N 320.370 2.002 0 40 DEAB Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)N1CCCCC1 58200838 WULIKCDVEDMZJI-UHFFFAOYSA-N 322.430 2.296 0 40 DEAB CCCOc1ccc(N2C[C@H](C(=O)NC(C)C)CC2=O)cc1 2192371 AEVBVPQSFRPKHR-CYBMUJFWSA-N 304.390 2.353 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)CC[C@@H]1Cc2ccccc2NC1=O 45449447 TUKZRPVUPWMAHZ-GZBFAFLISA-N 316.401 2.213 0 40 DEAB COc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cn1 29077463 WHOGJSFTPUBNPA-CYBMUJFWSA-N 323.356 2.110 0 40 DEAB O=C(N[C@@H]1CCCN(c2ncccn2)C1)c1cc2ccccc2[nH]1 46422003 UQYKILYTZPFGKC-CQSZACIVSA-N 321.384 2.357 0 40 DEAB Cc1cc(NCC(=O)N(C)c2ccccc2)ccc1-n1cnnn1 29937391 FWEUZJOSEBOISA-UHFFFAOYSA-N 322.372 2.046 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)C2=COCCO2)c(C)c1 3556571 FPYFLOFOBSFFSG-CYBMUJFWSA-N 319.357 2.370 0 40 DEAB CC(C)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1 3605760 RGMCFXPJGLLVKK-UHFFFAOYSA-N 317.418 2.495 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2ccc(Cl)nc2)cc1 13135197 JBEAITIPGWTLNB-UHFFFAOYSA-N 304.733 2.452 0 40 DEAB Cc1cc(C(=O)Nc2cccnc2C(N)=O)c2ccccc2n1 71185595 VNFYWRGCKNHQLI-UHFFFAOYSA-N 306.325 2.289 0 40 DEAB CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC 5213646 SLKGWGQADMYQAM-LLVKDONJSA-N 319.430 2.423 0 40 DEAB Cc1ccc(O)c(C(=O)c2cnn(C(=O)c3cccnc3)c2)c1 14169305 INOXABSDEWHLNX-UHFFFAOYSA-N 307.309 2.212 0 40 DEAB CCOC(=O)NCCC(=O)N(Cc1ccco1)CC(F)(F)F 65624851 OFMXTXSPBRGFCK-UHFFFAOYSA-N 322.283 2.307 0 40 DEAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCO3)c2C(N)=O)C1 5476591 YCIXBZGYLSSJIJ-MWLCHTKSSA-N 322.430 2.479 0 40 DEAB O=C(c1n[nH]c2c1CCCC2)N1CCCN(C2CCCC2)CC1 95399401 GQDSYKSBANZIPS-UHFFFAOYSA-N 316.449 2.379 0 40 DEAB CC[C@H](c1ccncc1)N(CC)C(=O)N[C@@H](C)c1nncn1C 95399968 IFAPJTPZEIELSL-GXTWGEPZSA-N 316.409 2.454 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)N(C)c2ccccc2)s1 15347858 ZXUDVIUYNRPDDJ-UHFFFAOYSA-N 324.427 2.209 0 40 DEAB CS[C@@H]1CCCC[C@@H]1NCC(C)(C)N1CCS(=O)CC1 90114317 ZIVPYHIFFIIAHD-UONOGXRCSA-N 318.552 2.093 0 40 DEAB C[C@@H]1CCCCN1C(=O)Cn1cnc2ccc(Cl)cc2c1=O 7440855 VLQKGMVCXLFVJE-LLVKDONJSA-N 319.792 2.451 0 40 DEAB Cc1c(C)n(Cc2ccccn2)c2ncnc(NCCCO)c12 9423240 HZBVEQBKASZRBE-UHFFFAOYSA-N 311.389 2.286 0 40 DEAB Cc1ccc(CN(C)C(=O)CN2CCC[C@@H]2c2cnn(C)c2)o1 71799339 YMWDUQGQSSBOAD-MRXNPFEDSA-N 316.405 2.117 0 40 DEAB C[C@H](NC(=O)NCc1cccnc1)c1ccc(NC(N)=O)cc1 69040129 RCQPFRHKMUBTQK-NSHDSACASA-N 313.361 2.133 0 40 DEAB CC[C@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)O 95425104 YYPHWCHDYGHDLJ-HNNXBMFYSA-N 315.373 2.011 0 40 DEAB CC[C@H](C)Oc1ccccc1/C=C/C(=O)N[C@H]1CCCNC1=O 70009562 QUPKYEGEGILYLB-GGBPEREOSA-N 316.401 2.272 0 40 DEAB Cc1nc(CN2CCO[C@H](Cn3cccn3)C2)nc2ccccc12 69392772 WAXMEERAVNDTQL-HNNXBMFYSA-N 323.400 2.036 0 40 DEAB O=C1OCC[C@H]1Sc1nnc(-c2cccnc2)n1C1CC1 69420222 YGFNWQICQGPRHX-LLVKDONJSA-N 302.359 2.083 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1nc(C)no1 69528716 IDBSUNFKKJUXIC-CABCVRRESA-N 320.437 2.176 0 40 DEAB FC(F)(F)Cn1nnnc1SCCOc1ccccc1 69508540 QKACUGMOUOTHFR-UHFFFAOYSA-N 304.297 2.407 0 40 DEAB COCc1cccc(C(=O)N2CCCC[C@H]2C2OCCO2)c1 69527594 WHRKUKJEWGOFMK-HNNXBMFYSA-N 305.374 2.201 0 40 DEAB C[C@H](C(=O)NC1CC1)N1CCO[C@H](c2ccccc2Cl)C1 69628973 UDVSFYZCKDIUQK-ABAIWWIYSA-N 308.809 2.380 0 40 DEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1Cn1cccn1 71866351 QUDOYEYTJBHYCP-AWEZNQCLSA-N 322.368 2.029 0 40 DEAB CC(C)CCOc1ccc(C(=O)NCC(=O)NC(C)C)cc1 17808040 XSGSMVJFPYAWJV-UHFFFAOYSA-N 306.406 2.366 0 40 DEAB O=C(Cc1cn2ccccc2n1)N1CCCC[C@@H]1Cn1cccn1 69977015 WUTWTRWUIKXTKB-MRXNPFEDSA-N 323.400 2.155 0 40 DEAB Cc1nc(CNc2cc(C(F)(F)F)nc3ncnn23)oc1C 84061456 KLOYYRDIIDBCJB-UHFFFAOYSA-N 312.255 2.360 0 40 DEAB CC(=O)c1ccccc1C(=O)N(C)Cc1cnc(N(C)C)nc1 97079848 XQJMGIKLCBOSHV-UHFFFAOYSA-N 312.373 2.017 0 40 DEAB CCn1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)c(C(C)C)n1 72293508 ZVTUOIFPKQVPFT-CYBMUJFWSA-N 316.409 2.095 0 40 DEAB CCc1cnc(C(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)s1 97115735 SRBLQAOUUSITQI-FZMZJTMJSA-N 304.415 2.427 0 40 DEAB OCc1cn(-c2ccc(NCc3cn4ccccc4n3)cc2)nn1 97108614 VSKXKXPITMIWGA-UHFFFAOYSA-N 320.356 2.019 0 40 DEAB CC(C)CN([C@@H]1CCCc2cccnc21)S(=O)(=O)N(C)C 97163841 AODWVYWPWJNNMB-CQSZACIVSA-N 311.451 2.223 0 40 DEAB CN(CCNC(=O)c1ccc2c(c1)COCO2)c1ccccc1 73408400 XWAHQOCXUSFMBS-UHFFFAOYSA-N 312.369 2.419 0 40 DEAB CCc1nc(NS(=O)(=O)c2cc(F)c(C)cc2F)no1 95994133 ARZBCYNRWCJGJK-UHFFFAOYSA-N 303.290 2.019 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccncc1 95948783 XRJBZPOQLNEFDL-SFHVURJKSA-N 323.396 2.013 0 40 DEAB CS[C@@H]1CCC[C@H]1N(C)C(=O)CNC(=O)c1ccc(F)cc1 95966672 CYSMVVYCSSSAOQ-ZIAGYGMSSA-N 324.421 2.298 0 40 DEAB C[C@@H](CCN1CCCC1)NC(=O)N1CCOC2(CCCC2)C1 95970007 LFVXQFQDPKCNOW-HNNXBMFYSA-N 309.454 2.215 0 40 DEAB COCc1nc(C)cc(N2CCCN(C(=O)C(C)(C)C)CC2)n1 75048859 KLYWHNUWTZBMMC-UHFFFAOYSA-N 320.437 2.016 0 40 DEAB NC(=O)c1cc(Cl)nnc1NC[C@@H]1OCCc2sccc21 75091846 PLLRZNFHGBJBFN-VIFPVBQESA-N 324.793 2.016 0 40 DEAB O=C(Nn1cccc1)[C@H](c1ccccc1)N1CCSCC1 75107538 XAWNVYQPIKAJFY-HNNXBMFYSA-N 301.415 2.348 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccnc2)sn1 89608899 JRBVNLAFCCCAPF-RISCZKNCSA-N 316.386 2.005 0 40 DEAB O=C(Nc1ccc2nccn2c1)N1CCC(O)(C2CCC2)CC1 1553100042 HTFOMAAFPFFCRP-UHFFFAOYSA-N 314.389 2.493 0 40 DEAB CC12CN3CC(c4ccccc4)(CN(C1)C3c1cccnc1)[C@@H]2O 32124350 POFWTFIVGVKMEN-HTYYJLERSA-N 321.424 2.030 0 40 DEAB biogenic Oc1ccc2c(c1)OC[C@@H]1c3cc4c(c(O)c3O[C@@H]21)OCO4 35465626 UCNVIHSLCUJYAL-YGRLFVJLSA-N 300.266 2.436 0 40 DEAB biogenic,in-vitro C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 40159828 TXEASYNZKASMRV-KHIZAZIESA-N 316.426 2.418 0 40 DEAB O=S(=O)(C[C@@H]1CCCCO1)Nc1ccn(-c2ccccc2)n1 76935788 BSTJWUAPKVJRGR-AWEZNQCLSA-N 321.402 2.183 0 40 DEAB Cc1cc(OCc2ncc(CCC(=O)O)c(=O)[nH]2)ccc1Cl 223443904 ZNMNOYJEITUPCD-UHFFFAOYSA-N 322.748 2.328 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)[C@H](C)C(=O)N(C)C)c2ccccc21 225581309 UEXPNDBYLSXRJQ-QWHCGFSZSA-N 324.446 2.197 0 40 DEAB CCOc1cc2nn(-c3ccc(C(=O)OC)cc3)nc2cc1N 226264741 YRZZLNXQTOHLNJ-UHFFFAOYSA-N 312.329 2.188 0 40 DEAB O=C1C[C@@H](NC(=O)CC(c2ccccc2)c2ccccc2)CN1 75158265 QVIHCWJLWLIFJF-MRXNPFEDSA-N 308.381 2.213 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cccnc12 89157623 JUZHTUJBOFJPDG-UHFFFAOYSA-N 303.362 2.302 0 40 DEAB O=C(NC1CC1)C1CCN(c2ncnc3ccc(F)cc23)CC1 77524911 WUPDERBEYWAEKT-UHFFFAOYSA-N 314.364 2.264 0 40 DEAB O=C(NCCn1ccnc1C1CC1)NCc1ccc(F)cc1 225567929 GWBUDNRGMVZLNB-UHFFFAOYSA-N 302.353 2.399 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CC(C)(C)Oc2ccccc21)c1nc[nH]n1 572700690 VYCATCGNWZZPNO-ZYHUDNBSSA-N 300.362 2.327 0 40 DEAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCN(C)C)cc2)C1 44910129 KWLJJZRZRVDNJF-OAHLLOKOSA-N 303.450 2.210 0 40 DEAB CC(C)c1cnc(CN2CC[C@H](C)S(=O)(=O)CC2)s1 192051428 SSAUFMALTSQTLU-NSHDSACASA-N 302.465 2.276 0 40 DEAB CCOc1cc2c(cc1CNC(=O)C(C)(C)C(=O)O)O[C@@H](C)C2 576945828 CCRAZTGCMHAHLQ-JTQLQIEISA-N 321.373 2.136 0 40 DEAB CN1C(=O)C[C@@H](NCc2ncc[nH]2)[C@H]1c1ccc(Cl)cc1 92849535 SQCYJJALRZWHHS-IUODEOHRSA-N 304.781 2.125 0 40 DEAB C[C@@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)N1CCSCC1 96485821 IVPRZPXHNCZSMH-LBPRGKRZSA-N 316.430 2.453 0 40 DEAB Cc1ccc2oc(C(=O)N3CCN(c4nccn4C)CC3)cc2c1 96426905 ZKOJZAWQDMJVNI-UHFFFAOYSA-N 324.384 2.437 0 40 DEAB CN(C)c1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 580028577 JABJVUZYDMWTGD-UHFFFAOYSA-N 320.370 2.252 0 40 DEAB CC(C)NC(=O)[C@@H]1CN(Cc2ccoc2)CC12CCOCC2 96078600 BKFZUZANIAIQSR-HNNXBMFYSA-N 306.406 2.033 0 40 DEAB Cc1nc(CN(C)C(=O)Nc2ccn(CCC(C)C)n2)no1 96500679 CSMBJBAVLYRFEW-UHFFFAOYSA-N 306.370 2.285 0 40 DEAB O=C(NCCn1cnnc1C1CC1)c1cccc(OC(F)F)c1 96411891 SLMKAIJZNVSVPI-UHFFFAOYSA-N 322.315 2.187 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)c2ccc(Cl)cn2)n1 96412358 NZMYEQLJWDFZKX-UHFFFAOYSA-N 318.764 2.197 0 40 DEAB Cc1cc(C)nc(N2CC[C@@H](OCCN3CCCCC3)C2)n1 96484308 HNDQIBRRLBJISV-MRXNPFEDSA-N 304.438 2.175 0 40 DEAB Cc1nc(CN2CC[C@H]3[C@@H]2CC(=O)N3c2cccnc2)cs1 96245925 VNKAFTOJVMKQEW-GJZGRUSLSA-N 314.414 2.226 0 40 DEAB CCc1cc(C(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)no1 257260170 LBPQHTMKYMDNPZ-OAHLLOKOSA-N 301.346 2.154 0 40 DEAB C[C@@H]1c2nc(C(=O)NC3CC3)cn2CCN1Cc1ccsc1 253591103 JPVSMOGKNYBMAA-LLVKDONJSA-N 316.430 2.414 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 257303100 SFTPXUWREWIODL-CQSZACIVSA-N 315.421 2.397 0 40 DEAB Cc1cc(CC2CCN(C(=O)Cn3ccnc3C)CC2)ccn1 257248385 JDKWGLDTVNUYTC-UHFFFAOYSA-N 312.417 2.376 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@@H]3c3cnccn3)cn12 257272831 NEBNYWPZPDMQEQ-OAHLLOKOSA-N 307.357 2.410 0 40 DEAB Cc1c(C(=O)NN2CC(=O)NC2=O)oc2c1ccc1ccccc12 25612171 FFUNFJDJORSRBZ-UHFFFAOYSA-N 323.308 2.091 0 40 DEAB CN1CCC[C@H](NC(=O)c2cnco2)[C@@H]1Cc1cccc(F)c1 585280528 JWEYCDUHMHVAAQ-GJZGRUSLSA-N 317.364 2.249 0 40 DEAB CCNC(=O)CN(CC)Cc1nc2cc(F)ccc2n1CC 66829039 PAOUNHZYYRJQQL-UHFFFAOYSA-N 306.385 2.153 0 40 DEAB Cc1ccc([C@@H]2CCCCN2C(=O)NCC(=O)N(C)C)cc1 73501705 XMYUUDBMTDCDBF-HNNXBMFYSA-N 303.406 2.320 0 40 DEAB CO[C@@]1(C)C[C@H](NC(=O)NC2CCN(C3CC3)CC2)C1(C)C 76091569 LUFHQUSRAHOQJD-YOEHRIQHSA-N 309.454 2.116 0 40 DEAB O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc2c(c1)CCCC2 77108023 BMIGOAYXFPHZOD-MRXNPFEDSA-N 309.431 2.005 0 40 DEAB O=C(NCc1ccncn1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2 516410256 CEAJQVPMCNGTHV-HOTGVXAUSA-N 322.412 2.469 0 40 DEAB O=C(NCCSc1ccccn1)[C@@H]1COc2ccccc2O1 5014933 IYPGLHFKXYQYRJ-AWEZNQCLSA-N 316.382 2.130 0 40 DEAB O=C1N[C@H](O)c2cc(Br)cc(Br)c2O1 5665140 NOEMWONRIWCYNN-SSDOTTSWSA-N 322.940 2.305 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)cc1 5929554 YXLNLAMPLZWYKF-BFHYXJOUSA-N 322.430 2.419 0 40 DEAB Cc1cc(C(=O)/N=c2/sc3cc(F)ccc3n2C)nn1C 12226462 IHSKYGDYSAZKCN-JQIJEIRASA-N 304.350 2.162 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 13139616 GDYZQHMAUYZCAF-WNWFYDSVSA-N 309.406 2.196 0 40 DEAB CCOc1ccc(NC(=O)c2snc3c(O)ncnc23)cc1 13564123 VKDKLYCGNWQUBK-UHFFFAOYSA-N 316.342 2.443 0 40 DEAB O=C(NC[C@H]1CCCO1)Nc1c[nH]c2c(Cl)cccc2c1=O 13565983 KFZQPOUMMHRCDY-SECBINFHSA-N 321.764 2.482 0 40 DEAB CC(=O)c1c(C)n(CC(=O)NC[C@H]2CCCO2)c2ccccc12 14136290 RLRYEYHWSOLQJH-CQSZACIVSA-N 314.385 2.448 0 40 DEAB C[C@@H](NC(=O)[C@H]1CCC(=O)NC1)c1ccc(-c2cccnc2)cc1 531096725 RAQHAMATDPFXGQ-DYVFJYSZSA-N 323.396 2.452 0 40 DEAB CCn1nnc2cc(C(=O)Nc3ccccc3C(=O)OC)ccc21 9534683 CFOQCUNCNIBYLM-UHFFFAOYSA-N 324.340 2.490 0 40 DEAB COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)ccc1C 7167143 OHNYGYKTBAMMEU-LLVKDONJSA-N 318.329 2.484 0 40 DEAB CCc1ccc(S(=O)(=O)NC[C@H](CCSC)OC)cc1 1775967559 WRBIWVIBBXLAMP-ZDUSSCGKSA-N 317.476 2.295 0 40 DEAB CC(C)(C)OC(=O)[C@@H](c1ccc(F)c(F)c1)[C@@H](N)CC(=O)O 21302288 ZGOAFEOOHCCMBT-AAEUAGOBSA-N 315.316 2.192 0 40 DEAB COc1ccc(S(=O)(=O)NCCc2cccs2)cc1F 30322608 AJMNNOBIGPTAPV-UHFFFAOYSA-N 315.391 2.417 0 40 DEAB O=C(Cc1noc2ccccc12)NC[C@@H]1Cc2ccccc2O1 32006491 TZSAXPICGKTOSF-ZDUSSCGKSA-N 308.337 2.490 0 40 DEAB COc1cc(C[n+]2ccccc2)c(OC)cc1C[n+]1ccccc1 277978 CCFOQKXYCDYADM-UHFFFAOYSA-N 322.408 2.375 0 40 DEAB CC1=NN(Cc2ccccc2)C(=O)[C@H]1C(=O)Nc1nccs1 101625439 QCFDNVDPDDSKBK-GFCCVEGCSA-N 314.370 2.116 0 40 DEAB C[C@@H](NC(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1 32803010 XNTFZSOJUNUABN-CYBMUJFWSA-N 315.417 2.448 0 40 DEAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nnc(N)s1 21612876 BEMKYRWJWWQQIB-RKDXNWHRSA-N 300.453 2.392 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@H]1Cc1ccccc1)c1nncn1C 46962098 PALUBHGPMRRVNS-HIFRSBDPSA-N 313.405 2.293 0 40 DEAB COC(=O)c1cc(CNC(=O)Cc2ccsc2)ccc1OC 8131405 YVUURPASMBYYLS-UHFFFAOYSA-N 319.382 2.402 0 40 DEAB Cc1ncc(CN2C[C@H]3ON=C(c4ccccc4C)[C@H]3C2)cn1 57823071 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Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(C(=O)O)c1 65336239 AHBYKNYXTGVGMW-UHFFFAOYSA-N 315.348 2.433 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCOCC1 46263204 UHUYIYIKEJWMGK-HIFRSBDPSA-N 323.462 2.315 0 40 DEAB COc1ccc(C(=O)NCC(=O)N2CCc3ccccc3C2)cc1 3455852 KINHXLTVCLTLTN-UHFFFAOYSA-N 324.380 2.010 0 40 DEAB Cc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1C 3460311 YALMJELPQLEHCY-UHFFFAOYSA-N 323.352 2.152 0 40 DEAB O=C(NCCn1ccnc1)c1ccnc(OC2CCCCC2)c1 92865765 JSNFIEUQTYUXIG-UHFFFAOYSA-N 314.389 2.420 0 40 DEAB Cc1cc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)no1 3501971 BAYOYNGXIOULOG-SNVBAGLBSA-N 307.133 2.049 0 40 DEAB C[C@@H](CNC(=O)c1ncc(C(C)(C)C)o1)CC1(C)OCCO1 72305944 RQKHYYFJUAODGX-LLVKDONJSA-N 310.394 2.491 0 40 DEAB O=C(c1ccccc1)N1C(=O)[C@@H]2CCCN2C(=O)c2ccccc21 39404044 VVAPASIPEYZFFR-INIZCTEOSA-N 320.348 2.478 0 40 DEAB biogenic C[C@H](Cn1ccnc1)NS(=O)(=O)c1ccc(F)c(Cl)c1 65410802 AJWPQUJQYQAVOE-SECBINFHSA-N 317.773 2.043 0 40 DEAB CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCCCCC2)c1 6378986 CCRHUWACWZQSQW-UHFFFAOYSA-N 324.446 2.390 0 40 DEAB COc1ccccc1N1C(O)=Nc2ccccc2S1(=O)=O 4483816 AKGPKVRYULOGBX-UHFFFAOYSA-N 304.327 2.450 0 40 DEAB O=C1c2ccccc2S(=O)(=O)NN1Cc1ccccc1Cl 14020256 OCSQOZDHJJZCLA-UHFFFAOYSA-N 322.773 2.189 0 40 DEAB Cc1ccc(OCCCNC(=O)CCNC(=O)[C@H]2C[C@H]2C)cc1 65562624 FIXRRDIVLPXEFU-ZBFHGGJFSA-N 318.417 2.042 0 40 DEAB CC1CCN(C(=O)C2CCN(C(=O)c3ccccn3)CC2)CC1 65533298 XTVDQTWNTGYLNW-UHFFFAOYSA-N 315.417 2.192 0 40 DEAB COc1cc(F)c([C@H](C)NC(=O)c2cc(C)n[nH]2)cc1OC 79311069 VYHPZNOCEUYNBF-VIFPVBQESA-N 307.325 2.365 0 40 DEAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2)n[nH]c1=O 14250946 LRENUIYPTVMUTO-NSHDSACASA-N 320.418 2.491 0 40 DEAB COc1ccc(NC(=O)NCCN(C)C)c(Br)c1 97052041 UWDFAOFZEIVNLE-UHFFFAOYSA-N 316.199 2.141 0 40 DEAB COc1cccc([C@@H]2c3c(n[nH]c3C)C[C@@](C)(O)[C@H]2C(C)=O)c1 4817806 RMBYOBFUSJFSTD-FGTMMUONSA-N 314.385 2.371 0 40 DEAB CC(C)(NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C(F)(F)F)c1 66778141 LOOMASVUFVISHE-NSHDSACASA-N 314.307 2.335 0 40 DEAB CC(C)(C)c1ccccc1OCC(=O)N1CCC(C(N)=O)CC1 4986343 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O=C1CCCN1c1cccc(CNCc2nc(C3CC3)no2)c1 69157734 NYOGSVLVFAOTEE-UHFFFAOYSA-N 312.373 2.364 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 72235267 NBVRIUSHKYNEHU-CYBMUJFWSA-N 317.393 2.231 0 40 DEAB Cc1nc(N2CCO[C@H](CN(C)C)C2)c2c(C)c(C)sc2n1 69665567 NKOQUZSCBOKUGR-CYBMUJFWSA-N 320.462 2.383 0 40 DEAB O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1ccccc1F 71876342 YDZWALQFDNFSSX-CJNGLKHVSA-N 304.369 2.005 0 40 DEAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)CSCC(N)=O 71851751 UURSPARIOKGSEK-LBPRGKRZSA-N 306.431 2.205 0 40 DEAB Cc1ccc(-c2cc(CN3CCN(C[C@@H](C)O)CC3)on2)cc1 69739574 RYYFDFYEQUHXHT-OAHLLOKOSA-N 315.417 2.148 0 40 DEAB CC(C)[C@@H](NC(=O)c1cnc(-c2ccccc2)s1)C(N)=O 69737233 IMFBQRVNNBJWHY-GFCCVEGCSA-N 303.387 2.050 0 40 DEAB Cc1ccncc1NC(=O)CCN1C(=O)c2ccccc2C1=O 71847608 MVNHBHWLIJXMLZ-UHFFFAOYSA-N 309.325 2.015 0 40 DEAB Cc1cc(OCC(=O)N(C)Cc2ccccc2F)nnc1C 71884038 MWCXFWTXRWWUNM-UHFFFAOYSA-N 303.337 2.270 0 40 DEAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)c2ccc(=O)n(C)c2)C1 71896659 DIYBCTUHFJOCLO-CQSZACIVSA-N 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Cc1cccc(CN2CCCn3c(nnc3Cn3cccc3)C2)n1 96259640 JERKIMQBRWLZBK-UHFFFAOYSA-N 322.416 2.237 0 40 DEAB CCC(=O)N1CC[C@H]2OCC[C@@]2(COc2ncccc2F)C1 96110446 QPCAEVUNAMQXDO-CJNGLKHVSA-N 308.353 2.017 0 40 DEAB O=C(NCC1(CO)CC1)N[C@H]1CCC[C@H]1Oc1ccccc1 95406325 JQEYOEOISIXZIQ-LSDHHAIUSA-N 304.390 2.058 0 40 DEAB Cc1noc([C@H](NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)C(C)C)n1 97378501 UPMSEFJDEMJZLM-MELADBBJSA-N 322.409 2.332 0 40 DEAB CC[C@@H](C(=O)NCc1cccc(-c2cnn(C)c2)c1)N(C)C 96486076 MTDXLKGZENKULI-INIZCTEOSA-N 300.406 2.044 0 40 DEAB COc1cccc(NC(=O)CCN2CCO[C@@H]3CCC[C@H]32)c1 230113958 DQYRTCMZTAZOPA-HZPDHXFCSA-N 304.390 2.277 0 40 DEAB COc1ccc(C[S@](=O)CCC(=O)NC(C)(C)C)cc1F 96403195 MYXVIAXDHWLDLT-NRFANRHFSA-N 315.410 2.388 0 40 DEAB Cn1cc([C@@H]2COC3(CCN(Cc4ccccn4)CC3)C2)cn1 96047803 OTTRTLBSHWQXCN-HNNXBMFYSA-N 312.417 2.354 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)C1 245343935 WNSMJAHZCGFVIQ-GRDNDAEWSA-N 320.364 2.276 0 40 DEAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3cnccn3)C[C@@H]21 257305097 SOKZGRDHGJZVOM-UWWQBHOKSA-N 310.401 2.469 0 40 DEAB CO[C@H]1CN(C(=O)CCc2cccc(F)c2)C[C@@]12CCCO2 257300128 RSZWJWLOGBOCAQ-RDJZCZTQSA-N 307.365 2.165 0 40 DEAB Cc1ncsc1-c1ncccc1C(=O)NC1CCOCC1 257266048 MBIQIVFFNZPWIL-UHFFFAOYSA-N 303.387 2.422 0 40 DEAB CC(=O)NCCCc1ccc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)cc1 25439629 RIRUOMFZCKPQJG-BLLLJJGKSA-N 317.385 2.137 0 40 DEAB C[C@@H](CN(C)C(=O)c1ccc(Br)cc1)C(=O)O 42694289 WURUKOAFYZVZKY-QMMMGPOBSA-N 300.152 2.242 0 40 DEAB Cc1nnsc1C(=O)NCC1CCN(Cc2ccco2)CC1 38583781 BJIMBWRGEJJWNP-UHFFFAOYSA-N 320.418 2.082 0 40 DEAB O=C(CN1CCC[C@@H]1c1noc(C2CC2)n1)Nc1cccnc1 76047476 QNNFHXSIJLTWDT-CYBMUJFWSA-N 313.361 2.118 0 40 DEAB COC(=O)[C@@H]1CN([C@H](C)c2nc3ccccc3o2)C[C@@H](C)O1 108492751 BPCFAQNFNWYDEM-GYSYKLTISA-N 304.346 2.151 0 40 DEAB CCn1c(=O)n(CC(=O)NCc2ccccc2C)c2ccccc21 12974585 OPHJVRCLOAKOTP-UHFFFAOYSA-N 323.396 2.448 0 40 DEAB CC(C)C[C@@H]1NC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 3597321 BZESJEAEVCEKGI-LBPRGKRZSA-N 323.780 2.245 0 40 DEAB 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NC(=O)[C@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 26224637 QTHGZKWCJFDEMM-GOSISDBHSA-N 323.396 2.130 0 40 DEAB COc1cccc(Nc2nnc(SCC(=O)N(C)C)s2)c1 9833789 VQKHBQYCLMQXDQ-UHFFFAOYSA-N 324.431 2.471 0 40 DEAB C[C@@]1(c2nc(-c3cccnc3)no2)Oc2ccccc2NC1=O 72241213 YGCRIAUKQKGRHZ-MRXNPFEDSA-N 308.297 2.378 0 40 DEAB CCc1ccc(NC(=O)CN2C(=O)C(=O)c3ccccc32)cc1 1892728 YHFJHKZCHIZNKI-UHFFFAOYSA-N 308.337 2.417 0 40 DEAB Cc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl 100799148 HETYXXWAUBPXJN-CYDGBPFRSA-N 309.749 2.465 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)O)cc1 101518761 NUTITIYKYJGJGB-JLUCKKNBSA-N 316.357 2.330 0 40 DEAB C[C@@H](NC(=O)c1csc(-c2cnn(C)c2)n1)c1ccncc1 44843805 OOVQFKGSCVTFBO-SNVBAGLBSA-N 313.386 2.430 0 40 DEAB CCOC(=O)NCC(=O)Nc1nc2ccccc2n1C(C)(C)C 58280258 XHTSQLDNMIHKOS-UHFFFAOYSA-N 318.377 2.476 0 40 DEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCOC[C@@H]3C)c12 44912377 IIPWBGMWQKRFRC-JTQLQIEISA-N 314.389 2.015 0 40 DEAB CN(C)C(=O)[C@@H](NC(=O)c1cccc2[nH]ncc12)c1ccccc1 58314291 UEKVVVPNSGMQIK-INIZCTEOSA-N 322.368 2.122 0 40 DEAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@H]1CCCO1 58406236 ZPLUUCKWNUHIDJ-MRXNPFEDSA-N 322.368 2.216 0 40 DEAB O=C(NCc1nnc2n1CCC2)c1csc2c1CCCC2 48279634 IMEPNTQAEKPLQS-UHFFFAOYSA-N 302.403 2.095 0 40 DEAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCc2sccc2C1 10922513 XJNWOKHZUNDSEC-GFCCVEGCSA-N 314.410 2.451 0 40 DEAB Cc1cc(C(=O)NC[C@H](C)Cn2cccn2)c2c(C)noc2n1 36614090 LBURJZZAAGNKJG-JTQLQIEISA-N 313.361 2.102 0 40 DEAB NC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 3563394 STZXVHQZUPJKFO-UHFFFAOYSA-N 321.336 2.181 0 40 DEAB COc1cc2c(cc1OC)CN(c1ncccc1C(=O)O)CC2 13090999 FSIFOHYVMHCJSS-UHFFFAOYSA-N 314.341 2.360 0 40 DEAB NC(=O)c1cccc(NS(=O)(=O)c2ccccc2Cl)c1 13071840 VZENVSSASKSVQJ-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB Cc1noc(C)c1CNC(=O)C(=O)Nc1ccc2[nH]ccc2c1 13693006 RFJIKTZZYUSUBG-UHFFFAOYSA-N 312.329 2.028 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOCC(F)(F)F 72268697 WORGLUQZWPHXGU-OLZOCXBDSA-N 322.371 2.431 0 40 DEAB Cc1ccsc1[C@@H]1CCN(Cc2cccnc2N)C[C@H]1O 65408562 CWLPAFWEDLUNKY-ZIAGYGMSSA-N 303.431 2.384 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC1CCCC1 65465567 REXZBPODAHSOAK-KRWDZBQOSA-N 300.402 2.266 0 40 DEAB O=C(Nc1cncs1)c1cccc(N2C(=O)CCC2=O)c1 4499624 OMCKYTKOMZCFPZ-UHFFFAOYSA-N 301.327 2.049 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Cc1cccc2ccccc12 65514635 SXFYZRMAXSGEEP-BBRMVZONSA-N 310.397 2.495 0 40 DEAB O=C(Cc1csc(-c2ccco2)n1)N[C@@H]1CCN2CCC[C@H]12 65606485 IDHADDFJKXMWJK-CHWSQXEVSA-N 317.414 2.299 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](n2cccn2)C1 65609740 UDGZFYBHSGOTRN-OAHLLOKOSA-N 315.421 2.030 0 40 DEAB NC(=O)Cn1cc2c(n1)[C@@H](NCc1ccc(Cl)cc1)CCC2 96002701 OELSLNZDRWOGID-AWEZNQCLSA-N 318.808 2.189 0 40 DEAB O=C(CCNC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2 7158479 OSVCUWYBZNBLPY-UHFFFAOYSA-N 316.401 2.485 0 40 DEAB COC[C@H](O)CNC(=O)N[C@H](c1ccccc1C)C(C)(C)C 80201790 YANVJUFDNUHPLC-UKRRQHHQSA-N 308.422 2.389 0 40 DEAB COc1cc(/C=C/C(=O)NCCC(=O)O)ccc1OC(C)C 62714694 MQVSQEMHLZBCAL-FNORWQNLSA-N 307.346 2.087 0 40 DEAB CCCN1CCN(C(=O)c2ccc(CN3CCCC3)o2)CC1 27984368 NNXXXFXFKAXQME-UHFFFAOYSA-N 305.422 2.043 0 40 DEAB CCOc1ncccc1C(=O)O[C@H](C)C(=O)NC1CCCCC1 7813609 DBICZODULNSGHT-GFCCVEGCSA-N 320.389 2.475 0 40 DEAB C[C@H](OC(=O)C[C@H]1C=CCC1)C(=O)Nc1ccc(C(N)=O)cc1 7937982 OIBRODMKASXVAO-RYUDHWBXSA-N 316.357 2.012 0 40 DEAB C[C@H]1CN(CC2CCCCC2)CCN1c1ccc2nncn2n1 69458492 PUNUMGNQOJETJK-AWEZNQCLSA-N 314.437 2.215 0 40 DEAB O=C(c1cscn1)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F 91765737 VSNVDIDKDXXUDC-TVQRCGJNSA-N 310.325 2.369 0 40 DEAB Cc1cc2ncn(S(=O)(=O)N3CCC(C)CC3)c2cc1C 19909030 XMPSCEKKGNQJOS-UHFFFAOYSA-N 307.419 2.478 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCn2c(nnc2C(C)C)C1 69770421 RFRXBXXZIRNFJO-SNVBAGLBSA-N 317.393 2.152 0 40 DEAB C[C@@H](Cn1cccn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 97162726 PTIFPDYWHCJTHK-KBPBESRZSA-N 308.426 2.261 0 40 DEAB Cc1c([C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)oc2ccc(F)cc12 69848838 NXMKXBNDBPDFBY-SKDRFNHKSA-N 304.321 2.336 0 40 DEAB CN1CCO[C@@H](CNCc2cnc(-c3ccccc3)s2)C1 69894941 WNKKNZBNSTXCNK-AWEZNQCLSA-N 303.431 2.230 0 40 DEAB C[C@@H](CNC(=O)Nc1cc(C2CCC2)nn1C)Cn1cccn1 95418850 MKVUQXBQDFFPQF-LBPRGKRZSA-N 316.409 2.342 0 40 DEAB O=C(Nn1cccc1)[C@@H](c1ccccc1)N1CCSCC1 75107539 XAWNVYQPIKAJFY-OAHLLOKOSA-N 301.415 2.348 0 40 DEAB CCCCN1CCc2ccc(NC(=O)[C@H]3COCCO3)cc21 89954720 GNZHWACAIWFIJG-MRXNPFEDSA-N 304.390 2.203 0 40 DEAB O=C(CCNC(=O)c1ccc(F)cc1F)NC(C1CC1)C1CC1 22848019 KECZHWPSFVHIDW-UHFFFAOYSA-N 322.355 2.390 0 40 DEAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc[nH]2)C1=O 409200654 JFRWLTVMTKYCLX-MXFUOJGSSA-N 308.359 2.393 0 40 DEAB CCc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1 65224980 IGWCOCCTAPNKAL-UHFFFAOYSA-N 312.373 2.128 0 40 DEAB CCn1c(=S)[nH]c(=O)c2c(C(=O)O)cc(-c3ccco3)nc21 36617224 DCUBNBFZSNCUGG-UHFFFAOYSA-N 317.326 2.432 0 40 DEAB CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1O)C1CCCCC1 72324760 HMRYFEKMILSXHP-ZDUSSCGKSA-N 324.373 2.455 0 40 DEAB biogenic Cc1cc(Br)cc(C(=O)NCC2(C)OCCO2)c1 184777933 PUJKAHIIOMHFLU-UHFFFAOYSA-N 314.179 2.250 0 40 DEAB O=C(NCc1ccccn1)[C@H]1CC(O)=Nc2nc3ccccc3n21 72471027 IEZJQSYTLCJWBH-CQSZACIVSA-N 321.340 2.281 0 40 DEAB CCOC(=O)C1=NN(c2ccccc2Cl)[C@@](C)(C(=O)O)C1 71979489 WXGKYMQKZUQMOH-CQSZACIVSA-N 310.737 2.313 0 40 DEAB Cc1cc(NC(=O)COc2nn(-c3ccccc3)cc2C)no1 226852445 HDXBWRWCXVIJOP-UHFFFAOYSA-N 312.329 2.495 0 40 DEAB O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1ccc(F)c(Cl)c1 75156907 DKUOKMIHBSOLLL-RKDXNWHRSA-N 307.774 2.061 0 40 DEAB COC(=O)[C@@H]1CCCCN1C(=O)Cc1cnc2ccccc2c1 130033124 KJMBXLDNKDLDDJ-INIZCTEOSA-N 312.369 2.331 0 40 DEAB Cc1cc(NC(=O)CSCCC(=O)OC(C)(C)C)n(C)n1 225641141 MPGHWHUMWYFRHO-UHFFFAOYSA-N 313.423 2.132 0 40 DEAB c1cncc(CN2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1 96107597 CVZPLXVIPUTXIQ-ROUUACIJSA-N 311.385 2.289 0 40 DEAB CC(=O)N1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96113171 WLRHXRBYKGCZOR-CYBMUJFWSA-N 303.280 2.332 0 40 DEAB biogenic,in-vitro c1cnc(N2CCC[C@@]3(CCN(Cc4cccnc4)C3)C2)nc1 96047158 ABFYUKILRKSJIT-SFHVURJKSA-N 309.417 2.364 0 40 DEAB O[C@H](CN[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(F)(F)F 97378161 GWLCIGOPPQAPIB-ZIAGYGMSSA-N 317.307 2.422 0 40 DEAB Cc1nc(CN2CCn3c(nnc3C(F)(F)F)C2)sc1C 96461825 HNQRMYGPUZKMFM-UHFFFAOYSA-N 317.340 2.386 0 40 DEAB O=C(NC[C@@H]1CCOC1)N1CC[C@@H](COCc2ccccc2)C1 96439444 RHXCYOHHVISNHS-DLBZAZTESA-N 318.417 2.271 0 40 DEAB Cn1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 96491248 LOYJJAKPPAIRBT-KBPBESRZSA-N 305.765 2.334 0 40 DEAB COCCN(Cc1ccccn1)C(=O)c1c(O)cc(F)cc1F 95417475 FUYJEMSCXHFYBY-UHFFFAOYSA-N 322.311 2.354 0 40 DEAB CCOc1ccc([C@@H](N)c2n[nH]c([C@H]3CCCO3)n2)cc1OC 95534309 QEHRKXJZKSVQSV-TZMCWYRMSA-N 318.377 2.112 0 40 DEAB CN(C)S(=O)(=O)N1CCC(CSCc2ccco2)CC1 85472508 OKWYBZXMPIWVKD-UHFFFAOYSA-N 318.464 2.031 0 40 DEAB CCCCNC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 243275426 KXKBDXLVGXDGPU-UHFFFAOYSA-N 318.826 2.022 0 40 DEAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2C(=O)CC2CC2)n1 257202668 AMVFNNHYVVFMKM-HNNXBMFYSA-N 302.422 2.310 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@@H](c3ccnc(O)n3)C2)no1 257277064 NWHOKKQHVUKSMD-LLVKDONJSA-N 316.361 2.143 0 40 DEAB CN(C)Cc1cnc([C@H]2CN(CCc3ccccc3)CCO2)[nH]1 257303555 SHRNEUXEFOULEL-QGZVFWFLSA-N 314.433 2.087 0 40 DEAB CNc1cc(C)nc([C@H]2CN(Cc3nccs3)CCO2)c1 257344044 ZVNGGDBGFIHFMM-CQSZACIVSA-N 304.419 2.462 0 40 DEAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)CCCC3)[C@H]1O 257276343 NTGWXLMNBREGAY-BRWVUGGUSA-N 303.402 2.176 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c1F 252495777 OZXJKDXEUXLCAD-UHFFFAOYSA-N 319.308 2.430 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)N(C)C)[C@@H]1c1ccc(OC)cc1 257339114 ZAGOGPGURZDNRS-ZBFHGGJFSA-N 304.390 2.083 0 40 DEAB C[C@]12CCCN(C(=O)COc3cccc(F)c3)[C@@H]1CCCN2 257238226 HKBGLFBGXYLHNK-WBVHZDCISA-N 306.381 2.338 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1c(C(C)C)noc1C 257284628 PDODKZSMYGSYFY-LBPRGKRZSA-N 318.377 2.352 0 40 DEAB Nc1cc(CC[C@H]2CN(C(=O)c3ccsc3)CCO2)ccn1 257334899 YHUZTXYDNXQVEF-AWEZNQCLSA-N 317.414 2.199 0 40 DEAB COc1ncccc1NC(=O)NC[C@H](O)c1ccc(F)c(F)c1 48367228 QCLWBTGNBGRMCB-ZDUSSCGKSA-N 323.299 2.224 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2)CC1 49394467 TYCYHTUFUXDDRO-GJZGRUSLSA-N 304.365 2.043 0 40 DEAB c1nc(OCC2CCN(C[C@H]3CCOC3)CC2)cc(C2CC2)n1 1565522157 TVWAIQVAAVWEKJ-OAHLLOKOSA-N 317.433 2.481 0 40 DEAB COc1cccc(C(=O)N(C)Cc2cn(C)nc2C)c1OC 12065007 YCRJUHTYZGHZQJ-UHFFFAOYSA-N 303.362 2.018 0 40 DEAB Cn1nc([C@H]2CCCN(C(=O)c3cccnc3)C2)c2cccnc21 12253668 QLDCZBYUHNTYMS-AWEZNQCLSA-N 321.384 2.383 0 40 DEAB Cc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1 13147343 KANJSVWVXMMXSC-ZROIWOOFSA-N 320.377 2.069 0 40 DEAB CCSCCOC(=O)NS(=O)(=O)c1ccc(C)cc1 16693629 IIYNYWDNVJUQLH-UHFFFAOYSA-N 303.405 2.163 0 40 DEAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1[C@@H](NC(=O)C(F)(F)F)C2 169804853 OSEBHMPQLPAGFK-HRDYMLBCSA-N 308.300 2.205 0 40 DEAB CO[C@]1(COc2cccc(F)c2)CCN(Cc2cnn(C)c2)C1 643914119 LHVHKUJPMMUJEP-QGZVFWFLSA-N 319.380 2.229 0 40 DEAB Cc1noc(C)c1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 244975192 IFWCNFMGKXSMMV-JOCQHMNTSA-N 316.361 2.201 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1 33834670 QSZIZGDXXHPRLW-INIZCTEOSA-N 321.336 2.274 0 40 DEAB Cc1ccccc1CN(c1ccc(C(N)=O)cc1)S(C)(=O)=O 2621711 TWLYRFSMHCJAKN-UHFFFAOYSA-N 318.398 2.060 0 40 DEAB O=C(Cc1ccsc1)N1CCC(Oc2nncs2)CC1 827913376 CSWIBEFPXIBYDY-UHFFFAOYSA-N 309.416 2.212 0 40 DEAB Cc1ccc(-n2ccn(CC3CCOCC3)c(=O)c2=O)c(C)c1 2086923663 SVOBPVITFZFBKT-UHFFFAOYSA-N 314.385 2.043 0 40 DEAB Cc1cc(C)cc(C(=O)NCc2nnnn2-c2ccccc2)c1 10592924 IYOJVZIJZONMLP-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB CC(C)(C)C(=O)N[C@@H]1CCCN(CC(=O)NC2CCCCC2)C1 436119220 BLNZUTVBJWIWLE-OAHLLOKOSA-N 323.481 2.062 0 40 DEAB Nc1nc(Cl)cc(N[C@@H]2CCN(Cc3ccccc3)C2)n1 40051229 XKGFTUBDUDIZRN-GFCCVEGCSA-N 303.797 2.399 0 40 DEAB COc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(O)c1 31151194 VSHXTBVXSOLTNU-UHFFFAOYSA-N 311.288 2.265 0 40 DEAB O=C(Cn1nnc2ccccc21)N1CCC[C@H](C(F)(F)F)C1 40486136 DXBMUZCBLDBHRO-JTQLQIEISA-N 312.295 2.232 0 40 DEAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc[nH]c2=O)n1 31600214 LVTBBPFEKZSCDY-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB Cc1cc(N)nc(SCC(=O)c2ccc3c(c2)OCO3)n1 31745658 FDWQRBJLDYQHFZ-UHFFFAOYSA-N 303.343 2.071 0 40 DEAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc(F)cc1F 40510766 DYPWAYUWQRTMPE-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB COc1ccc(C(=O)C2CCN(C(=O)n3ccnc3)CC2)cc1 32779437 QXPKAVYUGUEPNI-UHFFFAOYSA-N 313.357 2.455 0 40 DEAB O=C(C[C@H]1CCCO1)N1CCC[C@H](c2nnc3ccccn23)C1 46784892 LHAHFVIZXZEXSD-UONOGXRCSA-N 314.389 2.004 0 40 DEAB CCOc1cc(C)nc(N2CCN(C(=O)C3CCCC3)CC2)n1 69778888 PVPOWPFWEVRINJ-UHFFFAOYSA-N 318.421 2.023 0 40 DEAB O=C(CSc1nc2cc(Cl)ccc2o1)N1CCNC1=O 9386637 YJLCLBRHEBOSPA-UHFFFAOYSA-N 311.750 2.125 0 40 DEAB Cc1nc(S(=O)(=O)N(C)c2ccc3ccccc3n2)cn1C 78048356 FSGXYHBMXWZYBC-UHFFFAOYSA-N 316.386 2.102 0 40 DEAB Cc1ccc([C@H]2OCCC[C@@H]2CNc2ccc3nnnn3n2)cc1 78678133 DIUHZDJFYFCSHI-RHSMWYFYSA-N 324.388 2.408 0 40 DEAB CCn1cc(CN(C)C(=O)Cn2cc(Cl)c(C)n2)c(C)n1 2777730 JHQZRIYVFKZROH-UHFFFAOYSA-N 309.801 2.028 0 40 DEAB COc1ccccc1[C@@H](C)NC(=O)Cn1c(C)csc1=O 22559276 NRTHDVVLCXYQBU-LLVKDONJSA-N 306.387 2.104 0 40 DEAB Cc1nc(NC[C@H](C)N2CCC[C@H](C)C2)c2cnn(C)c2n1 54059298 REDQKQRSQBKWOX-RYUDHWBXSA-N 302.426 2.204 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2)cs1 6681139 ZXAJNXUBYMAKDA-UHFFFAOYSA-N 324.427 2.323 0 40 DEAB COC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CC[C@H](C)C3 914887 GQZLTVQZNATFJH-IUCAKERBSA-N 306.387 2.317 0 40 DEAB CC[C@@H](C)NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1 8037265 XPLQXEDNDZGAQU-LLVKDONJSA-N 311.813 2.125 0 40 DEAB O=C(c1cnccn1)N1CCN(Cc2ccc(Cl)s2)CC1 23701674 ILKNVPGTOOPZNB-UHFFFAOYSA-N 322.821 2.150 0 40 DEAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1 17993462 LMZGBHIJKAEMQK-AXFHLTTASA-N 319.327 2.407 0 40 DEAB COc1ccc(NC(=O)NC[C@@H](CO)Cc2ccco2)cc1 24839414 KYMBWJNVVNFVCO-LBPRGKRZSA-N 304.346 2.261 0 40 DEAB CN1Cc2sc3nc4n(c(=O)c3c2CC1(C)C)CCS4 24983620 LBOYOVWEGAXFRJ-UHFFFAOYSA-N 307.444 2.330 0 40 DEAB Cc1cc(C)cc(-n2ncc3c(N4CCN(C)CC4)ncnc32)c1 9627448 VBQBTRWLRMUGJT-UHFFFAOYSA-N 322.416 2.184 0 40 DEAB O=C(c1ccco1)N1CCN(c2ccc(-c3ccco3)nn2)CC1 9660521 IBMJTBCWLIKKMY-UHFFFAOYSA-N 324.340 2.292 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NC[C@@H]1CCCO1 27395828 IMKMRSWACUJZDF-HNNXBMFYSA-N 307.438 2.384 0 40 DEAB CCn1nc(C)c(C(=O)OC[C@@H]2CN(CC(C)C)CCO2)c1C 95398698 ZPXHFFGGJDMEBO-HNNXBMFYSA-N 323.437 2.033 0 40 DEAB COC(=O)[C@@H](CC(C)C)NCC(=O)Nc1cc(C)ccc1OC 58165445 OCJKOLBMRGELKT-CQSZACIVSA-N 322.405 2.119 0 40 DEAB CC1=NN(c2ccc(C(=O)NC[C@H](C)N3CCCC3)cc2)CC1 58283701 DFPYGPGGUSJKHM-HNNXBMFYSA-N 314.433 2.487 0 40 DEAB O=C(CSc1nncs1)Nc1ccc2c(c1)OCCO2 3389466 HYRIUDWVAUBTLD-UHFFFAOYSA-N 309.372 2.040 0 40 DEAB Cc1ccoc1C(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 48339822 BSPKWFGLLODDOW-NSHDSACASA-N 322.386 2.069 0 40 DEAB O=C(Nc1cccnc1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 44972779 XDBQFOYDZAPCHE-GJZGRUSLSA-N 305.378 2.274 0 40 DEAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)COC2CCCCC2)C1 58393086 PBTCDPCMSSJSGW-HNNXBMFYSA-N 324.465 2.347 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)N2CC[C@H](N3CCCC3)C2)cc1 58343953 XPJOMECYWFNVNW-ZBFHGGJFSA-N 317.433 2.192 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 100920780 QKVLBDTVSNTDJH-SLEUVZQESA-N 320.414 2.136 0 40 DEAB CC[C@@H](Sc1nnnn1C(C)C)C(=O)NCc1ccccc1 45601977 ASJOYWSEHOHZGC-CYBMUJFWSA-N 319.434 2.441 0 40 DEAB Cc1ccc(S(=O)(=O)c2nc(NN)sc2Cl)cc1 2596154 LTYGPQBYHHRNNE-UHFFFAOYSA-N 303.796 2.223 0 40 DEAB Cc1nc(CCNC(=O)N[C@H](C)c2cnn(C)c2C)cs1 48484525 YZBTUNHGGBTLMJ-SECBINFHSA-N 307.423 2.096 0 40 DEAB COC(=O)c1ccc(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)o1 2643509 ZTIBEBMKCFJZJP-HWPZZCPQSA-N 320.345 2.067 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1ccc3c(c1)OCCO3)C2 69947514 XSMFGUUFMDFCFM-UHFFFAOYSA-N 314.389 2.189 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1C 13141844 USOISFVCHMNHFM-KBPBESRZSA-N 312.369 2.193 0 40 DEAB COCSc1nnc(N2CCOCC2)n1-c1ccc(C)cc1 8704010 CRAIBWSQSKWRHV-UHFFFAOYSA-N 320.418 2.108 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 49394476 TYCYHTUFUXDDRO-HUUCEWRRSA-N 304.365 2.043 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4162868 ZIVSMMZWULXRQI-RFGFWPKPSA-N 301.342 2.150 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccco2)c1C 5080215 LMFBEARFAJTORU-SNVBAGLBSA-N 319.313 2.439 0 40 DEAB CCC(C)(C)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 65562930 NAMSSIYXNLTBPK-UHFFFAOYSA-N 317.364 2.354 0 40 DEAB Cc1cc(NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)no1 14196794 BXRUAXSCCLQAAX-UHFFFAOYSA-N 310.260 2.021 0 40 DEAB CCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Cl 8921317 LDMYUUGCYHNPBB-LBPRGKRZSA-N 316.810 2.093 0 40 DEAB CCOC(=O)C(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1 71283158 FEVXFAUUHOEFJO-UHFFFAOYSA-N 310.313 2.127 0 40 DEAB Cc1ccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)cc1 7736431 OKJSTNWTWBERJQ-INIZCTEOSA-N 323.352 2.238 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCCO1)c1cccc(N2CCCC2=O)c1 68653630 YZUBVNPGMKSCPO-WFASDCNBSA-N 302.374 2.170 0 40 DEAB Cc1nc(N[C@H]2CCCNC2=O)c2c3c(sc2n1)CCC3 69192978 DHFHJZVGMYLEKY-JTQLQIEISA-N 302.403 2.179 0 40 DEAB COc1cc(C2=NN=C(NC3CC3)SC2)cc(OC)c1OC 9477393 ZCQHCLWFJYZSLF-UHFFFAOYSA-N 321.402 2.271 0 40 DEAB Cn1cccc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 8316374 FBEUFUCGDWBTNB-UHFFFAOYSA-N 305.334 2.106 0 40 DEAB C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N1C[C@H](C)C[C@@H](C)C1 8307319 FKRQMCOSLYAQKU-UTUOFQBUSA-N 316.405 2.161 0 40 DEAB CC(C)CCOCCNC(=O)Nc1ccc(-n2cncn2)cc1 69451993 ZHEWQMRCNBBTNI-UHFFFAOYSA-N 317.393 2.452 0 40 DEAB CCc1nc2n(n1)C[C@@H](NCc1ccc(-n3ccnc3)cc1)CC2 69652277 BCUBDJJORIZVKR-HNNXBMFYSA-N 322.416 2.131 0 40 DEAB O=C1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CCN1 71857173 SBWDERPHYGHBQE-OAHLLOKOSA-N 321.808 2.323 0 40 DEAB CCc1ccc([C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)cc1 83823609 LHWVCTCTZPKJGR-ZDUSSCGKSA-N 313.401 2.451 0 40 DEAB CN1CC[C@@H](N(C)c2ncnc3sc4c(c23)CCCC4)C1=O 71915190 OTSHOAQWCALLCN-LLVKDONJSA-N 316.430 2.237 0 40 DEAB Cc1ccc([C@@H](O)CN2CCN(CCOC(C)C)CC2)c(C)c1 22887504 ZHTDPKTZZQZXTH-IBGZPJMESA-N 320.477 2.379 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)no1 72232379 VZDPRVCLQQQWKT-CYBMUJFWSA-N 317.393 2.186 0 40 DEAB COCC(=O)Nc1cc(I)ccc1C 97163683 MCEHWIVRRHREFG-UHFFFAOYSA-N 305.115 2.185 0 40 DEAB CN(C)[C@H]1CCC[C@@H](NC(=O)N2CCOC3(CCCC3)C2)C1 95424936 WQEPLKYUEWGIGE-CABCVRRESA-N 309.454 2.214 0 40 DEAB C[C@@]1(CO)CCC[C@H]1NS(=O)(=O)c1cccc2cnccc12 95442319 QDQBXZYNNCISRL-CVEARBPZSA-N 320.414 2.064 0 40 DEAB Cc1cnc(CNc2ccccc2C(=O)N2CCC[C@@H]2CO)o1 95418383 YIAZQWCHHGUZEI-CYBMUJFWSA-N 315.373 2.192 0 40 DEAB O=C(Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCOC1 88241574 MPZFNMTZCYHOTP-ZDUSSCGKSA-N 316.332 2.011 0 40 DEAB COc1ccccc1[C@@H](NC(=O)[C@H]1CCC(=O)N1)C(C)(C)C 88228283 FNKRHTDFFCFFGD-IUODEOHRSA-N 304.390 2.177 0 40 DEAB CC(C)CCO[C@@H](C)C(=O)N[C@@H](C)c1nnc2ccccn12 95955789 RXXCJYSXWIXCNH-STQMWFEESA-N 304.394 2.358 0 40 DEAB Cc1noc(CNC(=O)NC[C@]2(C)CCCc3ccccc32)n1 95984072 HRKNSPTXPQFBTC-KRWDZBQOSA-N 314.389 2.471 0 40 DEAB CC(C)(C)[C@H](NCCN1C(=O)CNC1=O)c1cccc(F)c1 95985797 MWPSSUYKJLJAPQ-CQSZACIVSA-N 307.369 2.054 0 40 DEAB C[C@H]1CCOCCN1c1ncnc2c1cnn2-c1ccccc1 89269414 TUADLGKHTSCYBG-ZDUSSCGKSA-N 309.373 2.431 0 40 DEAB Cc1cc(F)c(S(=O)(=O)N(C)Cc2ccccn2)cc1F 89570476 BCSNCOAQPYOOJN-UHFFFAOYSA-N 312.341 2.489 0 40 DEAB Cc1ccccc1CCNC(=O)c1ccc(N2CCCC2)nn1 89689337 MSMWQPYBMUCJKS-UHFFFAOYSA-N 310.401 2.358 0 40 DEAB C[C@H](c1ccc(F)c(Cl)c1)N(C)CCNS(C)(=O)=O 76091271 NWKADOAINFGLAC-SECBINFHSA-N 308.806 2.021 0 40 DEAB Cc1ccsc1CNC(=O)NCc1ccccc1OCCO 76021298 HQXBIOMFNQUQTQ-UHFFFAOYSA-N 320.414 2.427 0 40 DEAB Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(Cl)cc2)o1 532349885 HMXXCMDTMFPJMS-SSDOTTSWSA-N 301.755 2.071 0 40 DEAB CCOC(=O)C1=NN(c2ccccc2CC)[C@@](C)(C(=O)O)C1 71979531 GXMTZTWCHDPDMJ-MRXNPFEDSA-N 304.346 2.222 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(=O)[nH]c2)cc1 72212266 ODAJQFGYUNNGMT-HNNXBMFYSA-N 318.398 2.209 0 40 DEAB NC(=O)CN1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72379434 QSXXVAXLPPLWFY-AWEZNQCLSA-N 316.792 2.419 0 40 DEAB O=C(CC[C@H]1CCCO1)N1CCC(CN2CCCCC2=O)CC1 78797686 ODULPVRUUAERPN-MRXNPFEDSA-N 322.449 2.197 0 40 DEAB CCc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227596 LHMNTBQOUZIOAF-IAGOWNOFSA-N 310.353 2.393 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nc(N2CCCCC2)n1 72239835 PZRQOZYSWPHQFZ-KBPBESRZSA-N 318.421 2.025 0 40 DEAB CCc1nc(C)cn1S(=O)(=O)c1ccc(OC)c(OC)c1 32942990 IBUWOENTACMCMA-UHFFFAOYSA-N 310.375 2.008 0 40 DEAB O=C(NC[C@H]1CC[C@@H](c2ccccc2)O1)c1ccc2nn[nH]c2n1 565527204 HAFJZFZEIUMESS-DOMZBBRYSA-N 323.356 2.003 0 40 DEAB CC(C)(C)OC(=O)NCC1CCN(c2ncc(F)cn2)CC1 72203033 ZGBGZYRJWIZONN-UHFFFAOYSA-N 310.373 2.357 0 40 DEAB COC[C@H](C)Nc1nc(Nc2ccc(F)cc2)c2n[nH]nc2n1 70655780 BGYLYFLXYWHVIK-QMMMGPOBSA-N 317.328 2.077 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)Cc2ccccc2O)C1 78611484 DUAQMNVYJYCIDI-CYBMUJFWSA-N 320.389 2.060 0 40 DEAB C[C@@]1(CCc2ccccc2)NC(=O)N(CC[C@@H]2CCCO2)C1=O 189167987 XPRFCUHGGHGMLJ-YJBOKZPZSA-N 316.401 2.499 0 40 DEAB COc1cccc2c1[C@H](C(=O)N1CCN(C)C(C)(C)C1)CC2 568217303 NMXLLAMOMNCAMJ-CQSZACIVSA-N 302.418 2.278 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)NC[C@](C)(O)c2cccs2)n1 80879605 HWBUMPBMTDOMIS-DOMZBBRYSA-N 307.419 2.146 0 40 DEAB COC(=O)c1ncn(CC(=O)c2csc3ccccc23)n1 194536750 AHQZFPWKEGFCMC-UHFFFAOYSA-N 301.327 2.162 0 40 DEAB COc1ccccc1N1CCC(NC(=O)[C@H](OC)C(C)C)CC1 330972329 KFNRCFRUXXUVKN-QGZVFWFLSA-N 320.433 2.451 0 40 DEAB CCCCSCCC(=O)NC1CCN(c2ncccn2)CC1 96416414 VIKQTYLKNGKXIO-UHFFFAOYSA-N 322.478 2.485 0 40 DEAB O=C(Cn1cncn1)NCCCc1ccc(Cl)cc1Cl 96445216 BGXWTFWWMZBXOE-UHFFFAOYSA-N 313.188 2.334 0 40 DEAB CN1CC[C@@H](Nc2ccc(OCc3ccccn3)c(F)c2)C1=O 96447871 AVGNVUURRUYCGT-OAHLLOKOSA-N 315.348 2.442 0 40 DEAB O=C(C[C@@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@@H]12)NC1CC1 96206916 VWPRVUCMBKGICY-BMFZPTHFSA-N 320.458 2.254 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)NCC[S@@](C)=O 96433738 YNFXJTSZLUFCMW-IBGZPJMESA-N 304.799 2.157 0 40 DEAB CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2CC 96183073 FMNVUIJCXSFVOJ-UHFFFAOYSA-N 310.419 2.019 0 40 DEAB Cc1nn(C[C@@H](O)CN2CCC(C)CC2)cc1Br 96499992 DXJBGRUWBWGQSU-LBPRGKRZSA-N 316.243 2.047 0 40 DEAB CCN1CCOC[C@@]2(CCCN(C(=O)Cc3cccs3)C2)C1 96228875 LGNAMSQRGZNHGI-KRWDZBQOSA-N 322.474 2.252 0 40 DEAB CC(C)=CCOc1cccc(C(=O)N[C@H](C)Cn2cncn2)c1 96426236 MVAMQHBGFSUFSK-CQSZACIVSA-N 314.389 2.442 0 40 DEAB Cc1cccc(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)c1F 97100987 RQBOOWKRHFQBHV-UHFFFAOYSA-N 315.410 2.419 0 40 DEAB Cc1nc([C@@H]2CN(CCOc3ccccc3Cl)CCO2)no1 95958078 ZSABQMJCCQQNHI-AWEZNQCLSA-N 323.780 2.484 0 40 DEAB CCN(CC)[C@@H]1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 247535822 ORNPLJWNJRRWIG-SJORKVTESA-N 317.433 2.428 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](Cc2ccnc3ccncc23)CC1 257214929 CNZJQNZFYYTXSH-CYBMUJFWSA-N 319.430 2.234 0 40 DEAB CNC(=O)CCNC(=O)c1ccc(-c2ccc(F)cc2)nc1C 257173489 OTILTIALXBBPHE-UHFFFAOYSA-N 315.348 2.062 0 40 DEAB CCC[C@@H](C)N1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1 585099608 SGKQGSAUJFFMBK-RDTXWAMCSA-N 317.433 2.003 0 40 DEAB CN1CCN(c2cc(C(=O)N3CCc4ccccc43)ccn2)CC1 68315970 QRQNYRQIOFDJOB-UHFFFAOYSA-N 322.412 2.036 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NCc1ccc(N(C)C)nc1 44954675 YDPXQIUWVYQGDD-GFCCVEGCSA-N 302.378 2.171 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)N[C@H]1CCOc2ccccc21 47865816 TTYMXIUJFTUULZ-JSGCOSHPSA-N 300.362 2.095 0 40 DEAB Cc1noc(CCNC(=O)CCC(=O)c2ccc(C)s2)n1 84205076 UFMPMTJBKNXOTC-UHFFFAOYSA-N 307.375 2.070 0 40 DEAB CC1(C)C[C@H](Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CO1 563585661 SPRXRZTVHWJRGQ-JKSUJKDBSA-N 317.433 2.116 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](CN=c2cc[nH]cc2N)C1 1959374861 YFPBOWPZJAFLGT-GFCCVEGCSA-N 306.410 2.145 0 40 DEAB CC1(C)Cc2cccc(OCC(=O)NCC(F)(F)F)c2O1 5977516 DNEJAXVOVHINCN-UHFFFAOYSA-N 303.280 2.457 0 40 DEAB CCN(CC)CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1CC(=O)O 12480659 NMQMJTCABBDTRF-GJZGRUSLSA-N 310.438 2.068 0 40 DEAB biogenic,in-vitro COc1cccc(C[S@@](=O)c2ccc(NC(C)=O)cc2)n1 163576212 JVBRYYSETQZSGR-NRFANRHFSA-N 304.371 2.356 0 40 DEAB CSc1ncccc1C(=O)N1CC(Oc2nccs2)C1 208030194 VLGLJWFIALWRNQ-UHFFFAOYSA-N 307.400 2.163 0 40 DEAB CCn1nncc1CN1CCO[C@H](c2ccc(F)cc2F)C1 568601489 USABRLUPLGMQOP-HNNXBMFYSA-N 308.332 2.150 0 40 DEAB CC(=O)N1C[C@@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@H]2C1 1888850354 UZULOAMDOGDWPD-HZPDHXFCSA-N 308.385 2.058 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CC(Cn2cc(Cl)cn2)C1 1848581118 RYIYRNRTOKTHKB-UHFFFAOYSA-N 322.796 2.233 0 40 DEAB CCCCN(C(=O)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 4504362 GFOMQGFKEBFRIB-HNNXBMFYSA-N 309.431 2.424 0 40 DEAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C[C@]2(C)CC1=O 4577634 BMYHFWLOJVCQEQ-KNCCTNLNSA-N 313.353 2.190 0 40 DEAB Cc1ccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)cc1F 49404578 HYYXERODZAIREG-UHFFFAOYSA-N 315.348 2.208 0 40 DEAB O=C(NCCOCCn1ccnc1)c1cccc2ccccc12 606440623 IOGPIXWCOAJXBB-UHFFFAOYSA-N 309.369 2.483 0 40 DEAB COC(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc32)cc1 342635816 SCWYOFZLBGJBPA-AWEZNQCLSA-N 311.337 2.379 0 40 DEAB O=C(NC[C@](O)(c1ccccc1)C1CCOCC1)c1ccco1 575612917 OOGXNRSEYSZPNJ-SFHVURJKSA-N 315.369 2.324 0 40 DEAB Cn1cccc(NC(=O)N2CC[C@H](Cc3ccccc3)C2)c1=O 96435156 YQZZAKLQSZGXJZ-OAHLLOKOSA-N 311.385 2.482 0 40 DEAB C[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)NC(=O)CO2 31737851 YCHCUBKACCDAEO-SNVBAGLBSA-N 316.382 2.499 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)Cc1cnn(C)c1 40511324 RFWJEURLPMPDTD-UHFFFAOYSA-N 313.810 2.203 0 40 DEAB COc1ncccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40541645 IULIVWMGJFLBFK-LLVKDONJSA-N 315.304 2.294 0 40 DEAB Cc1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cc1F 40526063 OKCNVNUAIPTIDE-CQSZACIVSA-N 309.385 2.102 0 40 DEAB O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCCO1 40534188 NYTXIFUKOCUELD-HOTGVXAUSA-N 305.374 2.040 0 40 DEAB Cc1cc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)no1 32873568 HQUZDUIDMYDLSQ-UHFFFAOYSA-N 305.319 2.092 0 40 DEAB CCOC(=O)N[C@@H](C(=O)Nc1nnc(C2CC2)s1)C(C)C 32912217 JXPGVWJKVWXZIP-SECBINFHSA-N 312.395 2.125 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)CCc2c(C)noc2C)cc1 41466969 IZLDFOYXVGUJBP-MRXNPFEDSA-N 302.374 2.382 0 40 DEAB Cc1cnc(NC(=O)CN2C(=O)CCOc3ccccc32)s1 22131165 QDWFEZSJCOEEGM-UHFFFAOYSA-N 317.370 2.206 0 40 DEAB COc1cc2c(c3oc(=O)c4c(c13)CCC4=O)[C@H]1CCO[C@@H]1O2 402722 WWSYXEZEXMQWHT-CQLKUDPESA-N 314.293 2.153 0 40 DEAB endogenous,in-man O=C(Nc1nnc(C(F)(F)F)s1)c1ccn(C(F)F)n1 2771116 XNPIEBKZBRIYPX-UHFFFAOYSA-N 313.211 2.401 0 40 DEAB C[C@H](NC(=O)N1CCC[C@H]1Cc1ccccc1)c1nncn1C 46962097 PALUBHGPMRRVNS-ZFWWWQNUSA-N 313.405 2.293 0 40 DEAB O=C(NCc1cccc(Cn2cncn2)c1)[C@@H]1C[C@H]1c1ccco1 84368227 ALFUNYFJJGWSGQ-HZPDHXFCSA-N 322.368 2.339 0 40 DEAB C[C@@H]1C[C@@H](N2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)C(=O)O1 78900936 AJQWXIXZQVEIPX-WCABBAIRSA-N 317.311 2.312 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)c2cccnc2Cl)c1 22756718 YYJQLEKPBXSNKJ-UHFFFAOYSA-N 312.734 2.234 0 40 DEAB O=C(NCC[C@H]1CCCO1)c1cccc(N2CCCC2=O)c1 23189740 HUGUDRBDVRYVNK-OAHLLOKOSA-N 302.374 2.112 0 40 DEAB C[C@@H](Sc1nnc(C2CC2)n1N)C(=O)N[C@@H]1CCCC[C@H]1C 8011054 LGKPNXIMACZUTC-CKYFFXLPSA-N 323.466 2.045 0 40 DEAB CCOC(=O)/N=c1\sc(NC(=O)OCC)nc2ccn(C)c12 104213831 GPGJIGKYLAMQEJ-GDNBJRDFSA-N 324.362 2.260 0 40 DEAB C[C@@H](NCc1cnc(N2CCOCC2)nc1)[C@H]1C[C@H]2CC[C@H]1C2 106826038 BULMKPVIYMCLTH-YQFWSFKMSA-N 316.449 2.228 0 40 DEAB C[C@@H](NC(=O)CCNC(=O)Cc1ccccc1)c1ccccn1 25406026 SBJNTXAHKXNLTE-CQSZACIVSA-N 311.385 2.008 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)COc1ccccc1 56123123 WOLDESUMTUYRAQ-SNVBAGLBSA-N 310.375 2.037 0 40 DEAB C[C@H](NCc1ccc(F)cc1)c1ccc(S(N)(=O)=O)cc1 35230406 YJYOZYCEUNFLHI-NSHDSACASA-N 308.378 2.324 0 40 DEAB Cc1cc(Cl)ccc1OCCCNC(=O)[C@@H](C)n1cncn1 57002257 FRCDAQVOVCXQDA-GFCCVEGCSA-N 322.796 2.386 0 40 DEAB Cn1cc(NS(=O)(=O)c2ccc3c(c2)CCCC3)ccc1=O 57122835 AWEBUKUBIOOTDX-UHFFFAOYSA-N 318.398 2.065 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100179721 HONQEFYUORJRCP-NEMWNAMBSA-N 307.349 2.447 0 40 DEAB CN(C[C@@H]1CCCO1)C(=O)Nc1cccnc1N1CCCC1 58081284 PJORRQSSEZPING-ZDUSSCGKSA-N 304.394 2.325 0 40 DEAB CCn1nnnc1SCc1noc(-c2cccc(C)c2)n1 58160903 AUGUCICZEDNXLE-UHFFFAOYSA-N 302.363 2.344 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccncc1 44868046 ZJKQOODZNVXOLB-LLVKDONJSA-N 304.371 2.056 0 40 DEAB CN1CCN(C(=O)c2cc(C3CC3)[nH]n2)[C@H](c2ccccc2)C1 44858362 KSOFQABOANWRTO-KRWDZBQOSA-N 310.401 2.416 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)C1(c2ccccc2)CC1 58289647 QKWIJRTZXRWGDJ-UHFFFAOYSA-N 304.390 2.359 0 40 DEAB O=C(CNCCCO)Nc1ccc(Oc2ccccc2)cc1 3338977 MVRARDNKECVYIR-UHFFFAOYSA-N 300.358 2.389 0 40 DEAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1ccoc1 44977845 ZXJGGWKUPLNHSQ-ZDUSSCGKSA-N 306.387 2.412 0 40 DEAB CCOc1cc(CNc2ncc(C(N)=O)cc2Cl)ccn1 44978785 DNWRFKGMABKYTD-UHFFFAOYSA-N 306.753 2.240 0 40 DEAB COc1ccc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)cn1 44950812 SHBQFVTZKAZZAJ-NSHDSACASA-N 317.393 2.361 0 40 DEAB C[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1cccs1 10630658 ARAISGMDEZSJEW-JTQLQIEISA-N 314.366 2.222 0 40 DEAB O=C(CN1CCC(O)CC1)NC1c2ccccc2-c2ccccc21 28968007 XOZQKFWDZXAJNL-UHFFFAOYSA-N 322.408 2.329 0 40 DEAB NC(=O)c1cccc(CN2CCN(CCc3ccccc3)CC2)c1 29171327 GBMPBRFRRCEDPW-UHFFFAOYSA-N 323.440 2.146 0 40 DEAB O=C(COC(=O)c1cccnc1Cl)NCc1ccccc1 2622992 LCVRCZMGRNPDSC-UHFFFAOYSA-N 304.733 2.208 0 40 DEAB CCCCN(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 13003695 UYTGZEJXSUTFAV-CYBMUJFWSA-N 303.406 2.482 0 40 DEAB CC1CCN(S(=O)(=O)c2ccc(CCC(=O)O)cc2)CC1 13087435 YFECFUDMLXJKMU-UHFFFAOYSA-N 311.403 2.124 0 40 DEAB CCN(CC)C(=O)CSc1nnc([C@@H](N)CC(C)C)o1 5092166 FKFGWDHPEPQCCX-JTQLQIEISA-N 300.428 2.076 0 40 DEAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCC[C@H]2CCCO2)c1 65541290 FMVFUFPRTVPROX-DZGCQCFKSA-N 305.374 2.342 0 40 DEAB CC[C@H](C)C(=O)NCC(=O)OCc1cc(Cl)c2nccn2c1 65554621 LHRPINRRPMXEDB-JTQLQIEISA-N 323.780 2.193 0 40 DEAB O=C(Nc1cccc2ncccc12)c1cnc2n(c1=O)CCS2 14137042 SORIPILVFYEHOL-UHFFFAOYSA-N 324.365 2.150 0 40 DEAB COc1ccc(NC(=O)NCCNc2ncccn2)cc1C 65607836 IFHYHUVTGALPIQ-UHFFFAOYSA-N 301.350 2.027 0 40 DEAB CCOC(=O)c1cc(NC(=O)c2cc(F)c(F)cc2F)[nH]n1 96004830 NDFNYLQPSAFNFP-UHFFFAOYSA-N 313.235 2.256 0 40 DEAB CCn1cc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cn1 14226877 MWKRMHPGWXAMNO-UHFFFAOYSA-N 313.810 2.377 0 40 DEAB CCNC(=O)CNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14251749 LOPHBELHVJWWAU-UHFFFAOYSA-N 316.332 2.484 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(N)nc2)cc1 72212372 STGIZCLJRDVWEI-HNNXBMFYSA-N 317.414 2.498 0 40 DEAB O=C(NC1CCOCC1)[C@@H](c1ccccc1)N1CCCCC1=O 66622315 PIDTYCCFEFKLQY-QGZVFWFLSA-N 316.401 2.035 0 40 DEAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](n2cncn2)C1 72295650 XCOMGTKXAZJSAS-OLZOCXBDSA-N 304.419 2.382 0 40 DEAB O=S(=O)(c1ccc(-n2cccn2)cc1)N1CCCCCC1 6939324 HQHFGHUOOAOCKI-UHFFFAOYSA-N 305.403 2.437 0 40 DEAB Cn1c(SCC(=O)NC(=O)NC(C)(C)C)nc2ccccc21 15979581 PLSZJULWAPVZCW-UHFFFAOYSA-N 320.418 2.290 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(F)c(F)c1 7747844 FCBXQURXTQQBJN-CYBMUJFWSA-N 310.300 2.498 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)N[C@H]1CCc3nccn3C1)C2 97197630 GZOLKCPZUQFMGS-ZFWWWQNUSA-N 313.426 2.340 0 40 DEAB CCC(=O)NCC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69350723 SNQCCKCMLGVDCC-CMPLNLGQSA-N 314.307 2.204 0 40 DEAB O=C1CCc2cc(NC(=O)c3ccncc3F)c(F)cc2N1 97165465 UARCEMWXMFZAAZ-UHFFFAOYSA-N 303.268 2.497 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)no1 69703729 DNVFCXOKWRGEKI-JTQLQIEISA-N 311.407 2.259 0 40 DEAB CCc1nc(CN(C)c2ncc(C(N)=O)cc2Cl)cs1 71828019 VKATXRSXRJDECW-UHFFFAOYSA-N 310.810 2.489 0 40 DEAB O=C(NCCc1nc2c(s1)CCCC2)NCC(F)(F)F 69918216 QDNQXJCZFDHEKI-UHFFFAOYSA-N 307.341 2.426 0 40 DEAB NC(=O)[C@H](Sc1nc(-c2ccccn2)n[nH]1)c1ccccc1 71910009 VGTMOVDUUKOPQC-GFCCVEGCSA-N 311.370 2.185 0 40 DEAB CN(C)CCN(Cc1ccco1)C(=O)[C@H]1COc2ccccc21 88229989 AEMGABBRBIESCJ-INIZCTEOSA-N 314.385 2.346 0 40 DEAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCn2c(nnc2C(F)(F)F)C1 110610512 DTCGKHNYWHBUIS-LPEHRKFASA-N 314.311 2.075 0 40 DEAB CCNC(=O)C1CCN(CCC(=O)c2ccc(F)cc2)CC1 95992419 ANPJCSKEAMGBTE-UHFFFAOYSA-N 306.381 2.247 0 40 DEAB CCCC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1cccc(C)c1 75106097 FKXAPYRNOCCZMZ-ZBFHGGJFSA-N 318.417 2.280 0 40 DEAB CCc1ccc(CNC(=O)COc2nnc3ccccn23)s1 76062516 UHTUBTJSPYQEPR-UHFFFAOYSA-N 316.386 2.048 0 40 DEAB CS(=O)(=O)CCC(=O)NC1CC(c2cccc(Cl)c2)C1 76088819 MLXSJABORAWJEE-UHFFFAOYSA-N 315.822 2.137 0 40 DEAB Cc1ccc(S(=O)(=O)NCC(C)C)cc1C(=O)NC(C)C 408592340 JYQWBUTWMCPFSL-UHFFFAOYSA-N 312.435 2.068 0 40 DEAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306129867 IPEZRGHJIRQEEA-MRXNPFEDSA-N 316.401 2.016 0 40 DEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC1=CCCOC1 125927639 GOSFEWZBUQYHLY-CYBMUJFWSA-N 309.431 2.430 0 40 DEAB CO[C@]1(C)C[C@H](N(C)C(=O)NCc2cnn(C)c2C)C1(C)C 179356943 AUQFVYZCZRHZIF-XJKSGUPXSA-N 308.426 2.074 0 40 DEAB CCc1ccc(CNC(=O)C(=O)NCc2cccc(C)c2)cc1 408708395 ZAYDPLYKJDGENV-UHFFFAOYSA-N 310.397 2.490 0 40 DEAB COc1ccc2[nH]cc(C(=O)N3CCC(C)CC3)c(=O)c2c1 35310764 ISBGMQIVWXHLIC-UHFFFAOYSA-N 300.358 2.409 0 40 DEAB O=C(NCCN1CCO[C@@H](c2ccccc2)C1)c1ccco1 35592941 KHJZQTSXZJDGQF-MRXNPFEDSA-N 300.358 2.083 0 40 DEAB C[C@H]1C[C@H](Nc2ccc(NC(=O)CN(C)C)cc2)[C@H](C)CN1C 195552422 IYMJHEFEYZGKDW-KEYYUXOJSA-N 318.465 2.327 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C)nn1C 195571221 XVKSNAOYBLIJQB-QWHCGFSZSA-N 310.467 2.321 0 40 DEAB CN(C)C[C@@H](NS(=O)(=O)C1CC1)c1ccc(Cl)cc1 225780415 KIIJUCIEJYBOGH-CYBMUJFWSA-N 302.827 2.025 0 40 DEAB CN(CCOc1ccccc1F)C(=O)[C@@H](N)c1ccccc1 225510531 YLZHBWNDTCQTBB-INIZCTEOSA-N 302.349 2.363 0 40 DEAB CCn1ccc2nc3ncnn3c(-c3cccc(OC)c3)c2c1=O 40398226 XRDKPMAZASRJLR-UHFFFAOYSA-N 321.340 2.135 0 40 DEAB O=C(Cn1ccc2ccccc21)N1CC[C@@H](Oc2cnccn2)C1 225791723 RZGYNQWASOWPMO-OAHLLOKOSA-N 322.368 2.111 0 40 DEAB O=C([C@H]1CCc2[nH]cnc2C1)N1CCC(C(F)(F)F)CC1 225512923 TYRKBNAEZSPJTA-VIFPVBQESA-N 301.312 2.316 0 40 DEAB O=S(=O)(O)c1ccc(-n2nc(-c3ccccc3)cc2O)cc1 139191021 KDJVQWVFKDCHCF-UHFFFAOYSA-N 316.338 2.492 0 40 DEAB CCCCCCNC(=O)c1c(O)n2ccc(C)cc2nc1=O 226822131 BZKZFRQNJPTOMH-UHFFFAOYSA-N 303.362 2.019 0 40 DEAB C[C@H](NN)c1cc(Br)c(O)c(Br)c1 199536035 KZFLCLKMBUZNEV-BYPYZUCNSA-N 309.989 2.442 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2F)C1(C)C 96416140 PVJVRJJFKJJHNX-OLZOCXBDSA-N 308.353 2.084 0 40 DEAB COc1ccccc1C[C@@H](C)CC(=O)NCc1noc(C)n1 96412413 CIWIHXORUJYJCW-LLVKDONJSA-N 303.362 2.272 0 40 DEAB COC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ncn(C)c21 96044803 KMABPMNAPHBALD-CQSZACIVSA-N 303.406 2.383 0 40 DEAB CCn1nccc1CN1CCc2nc(C(F)(F)F)ncc2C1 96125932 HMSGJMGZBPLDAH-UHFFFAOYSA-N 311.311 2.270 0 40 DEAB CC(C)NC(=O)NC[C@H]1Cn2cc(-c3ccccc3)nc2CO1 96269305 HFUDXKGPEDAZTN-AWEZNQCLSA-N 314.389 2.157 0 40 DEAB biogenic,in-vitro O=C(Nc1ccc(F)cc1OC(F)F)N1CCC[C@@H]1CO 96435461 IHROKOZBYBPEPS-SECBINFHSA-N 304.268 2.416 0 40 DEAB Clc1cncc(NCc2ccc(Cn3cncn3)cc2)n1 96453315 DIKGHDFVMFROJJ-UHFFFAOYSA-N 300.753 2.382 0 40 DEAB CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@@H]3CCOC3)C[C@@H]21 96183064 WMXBXBUVRYSJLP-OQIJWPOYSA-N 315.461 2.403 0 40 DEAB Cc1ccsc1C(=O)NC1CCC(N2C(=O)CCC2=O)CC1 96484976 YEMWXHALHPYGEX-UHFFFAOYSA-N 320.414 2.247 0 40 DEAB CC[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCCn2nc(COC)nc21 96473522 XEFNLFDRCFMNEC-JHJVBQTASA-N 321.425 2.137 0 40 DEAB CCO[C@H]1C[C@@H](N(C)CCCS(C)(=O)=O)C12CCCC2 96419738 DCXVYWGJWMSVRA-KGLIPLIRSA-N 303.468 2.091 0 40 DEAB O=C(CNc1ccc2c(c1)C(=O)CCC2)NCC(F)(F)F 96455518 YKYJCUJZAYHWPS-UHFFFAOYSA-N 300.280 2.296 0 40 DEAB COc1cccc(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)c1 257294318 QTNUJFRPFVUZPB-RMRDIRSESA-N 314.429 2.369 0 40 DEAB COC(=O)[C@H]1CCn2c(nnc2[C@H](C)Oc2ccccc2F)C1 601045252 UPEDKSIAMCAIIQ-QWRGUYRKSA-N 319.336 2.293 0 40 DEAB COc1cccc(S(=O)(=O)N2CCCC[C@H]2c2ccn[nH]2)c1 257323390 WJYPSZXMGHYEDQ-HNNXBMFYSA-N 321.402 2.334 0 40 DEAB COc1ccc(CN2CCO[C@H](c3cnccn3)C2)c(F)c1 257260219 LBVVEXFRMSCSNH-INIZCTEOSA-N 303.337 2.198 0 40 DEAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)C2CCOCC2)c1 24637472 JMYGAZYPGAENTO-UHFFFAOYSA-N 317.794 2.109 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)Cc3csc(C)n3)C2)n1 257220209 DKADXPCREJMYSP-LBPRGKRZSA-N 304.419 2.052 0 40 DEAB O=S(=O)(NCC[C@@H](O)c1ccoc1)c1ccc(Cl)s1 90613102 NNULVJRIRCFVAD-SECBINFHSA-N 321.807 2.397 0 40 DEAB COCc1nc(C)cc(N2CCC[C@@H](c3ccnc(C)n3)C2)n1 584907218 YDJGRLBQHZUZGU-CQSZACIVSA-N 313.405 2.414 0 40 DEAB CC(C)C(=O)NCC[C@H]1CN(Cc2ccco2)Cc2ccnn21 585111767 BKZZIWHMBCEAFK-AWEZNQCLSA-N 316.405 2.195 0 40 DEAB CN1CC[C@@H](C(=O)N(C)[C@H]2CCCc3ccccc32)CC1=O 44377461 QKWQBKQDNFOVDE-ZBFHGGJFSA-N 300.402 2.391 0 40 DEAB CC1([C@H]2CCCN(C[C@H](O)c3ccccc3F)C2)OCCO1 97086576 BSXVUZBTKWPDCA-BBRMVZONSA-N 309.381 2.334 0 40 DEAB O=C(O)c1cnc(C(F)(F)F)cc1I 307103031 CRQLQAMOMNOYSC-UHFFFAOYSA-N 317.004 2.403 0 40 DEAB CC(=O)N1CCc2nc(NC(=O)c3cccs3)sc2C1 12219445 RYLMULCVGRYKGI-UHFFFAOYSA-N 307.400 2.362 0 40 DEAB CC(=O)N1CC[C@H](C(=O)NCC(C)(C)c2cccc(F)c2)C1 19748082 LLBKRUZURNELMA-ZDUSSCGKSA-N 306.381 2.088 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)NCCC1=CCCC1)CC2 164665123 IEQPFDLYIIXIKS-HZPDHXFCSA-N 322.449 2.448 0 40 DEAB CCCCC(=O)NC(=S)Nc1ccc(OCC(=O)O)cc1 226358572 NAFJERAXABMUBV-UHFFFAOYSA-N 310.375 2.153 0 40 DEAB CC(C)N1C[C@H](C(=O)N(C)C)[C@]2(CCc3ccccc3[C@H]2O)C1 247968782 HCOUGQYVOJFBGI-LMMKCTJWSA-N 316.445 2.081 0 40 DEAB Cc1ccccc1CN1CCO[C@@H](C(=O)N2CCCCC2)C1 1888844585 KWLZTJOBHBHZMR-QGZVFWFLSA-N 302.418 2.208 0 40 DEAB Cc1oncc1C(=O)NCCc1ccc(-c2cnn(C)c2)s1 1889149013 WPRJPBJQIBGEKX-UHFFFAOYSA-N 316.386 2.418 0 40 DEAB O=C(NCc1ccccn1)c1cccnc1O[C@@H]1CCSC1 252501344 UENZTSAYZUSZPL-CYBMUJFWSA-N 315.398 2.291 0 40 DEAB CCCNC(=O)N[C@H](C(=O)OC)C12CC3CC(CC(C3)C1)C2 4141443 ZHQKDLXONCHRLN-DLUQRMLASA-N 308.422 2.454 0 40 DEAB biogenic COc1ccc(N(C(=O)CC(C)C)[C@@H]2C=CS(=O)(=O)C2)cc1 4165500 IWOCLIZZOLCRQY-CQSZACIVSA-N 323.414 2.385 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)OC 543461 VCQQCXMIQPLDJF-YGRLFVJLSA-N 324.377 2.413 0 40 DEAB O=C(NCCCNC(=O)c1ccco1)c1cccc(Cl)c1 20437134 IAQYIWFSJVRMHE-UHFFFAOYSA-N 306.749 2.483 0 40 DEAB COCCCCNC(=O)c1ccc2c(c1)NC(=O)CCS2 40535040 CQTWAWNKFQNEMI-UHFFFAOYSA-N 308.403 2.277 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101118602 JXQDQHGVZVJLIP-DDHJSBNISA-N 311.337 2.175 0 40 DEAB CCC(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 51420613 BJYGPOWKJXUYKM-UHFFFAOYSA-N 301.390 2.322 0 40 DEAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC1 32780911 OGOWOVNMHOCYIE-UHFFFAOYSA-N 305.355 2.099 0 40 DEAB CN(CC(=O)NC(=O)NCc1cccs1)Cc1cccs1 52659387 GJKIRLKGKJNFTC-UHFFFAOYSA-N 323.443 2.267 0 40 DEAB Cc1nc(CC(=O)NC[C@@H]2CCCN3CCCC[C@H]23)cs1 12296352 GJWGDOVQSNDZNN-DZGCQCFKSA-N 307.463 2.375 0 40 DEAB biogenic Cc1ccccc1[C@H]1C[C@H]1C(=O)N(C)Cc1nnc2n1CCC2 76956935 BCBXONYBYNOBEJ-HUUCEWRRSA-N 310.401 2.295 0 40 DEAB C[C@@H]1CC=CC[C@H]1COC(=O)CCn1nc2ccccn2c1=O 78610830 HTISNDIZRRDXLQ-KGLIPLIRSA-N 315.373 2.032 0 40 DEAB Fc1cccc2[nH]c(CN3CCn4c(nnc4C4CC4)C3)nc12 78788001 SRDXUMLMMKRNDB-UHFFFAOYSA-N 312.352 2.187 0 40 DEAB Cc1ccc(-c2nnnn2CS(=O)(=O)c2ccccc2)cc1 2659650 FJOSXNRCTVCFGJ-UHFFFAOYSA-N 314.370 2.080 0 40 DEAB Cc1nc(NC[C@@H]2CCCO2)c2nnn(Cc3ccccc3)c2n1 4383521 FVQFKTITIJIBFB-AWEZNQCLSA-N 324.388 2.169 0 40 DEAB O=C(NC[C@@H]1CCCO1)C(=O)Nc1cc(Cl)cc(Cl)c1 4535505 HRUVRPLWNYUMNF-NSHDSACASA-N 317.172 2.227 0 40 DEAB Nc1nccnc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 6366516 ZVIBBKOLCLKONX-UHFFFAOYSA-N 315.373 2.001 0 40 DEAB O=C(OCC(=O)N1CCNC1=O)c1ccc(-c2ccccc2)cc1 7440729 XCQVBBYSCQRLSL-UHFFFAOYSA-N 324.336 2.062 0 40 DEAB COc1ccc(C2=CCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 47554484 ZNHGJTDGIBPHDB-UHFFFAOYSA-N 310.353 2.313 0 40 DEAB Cn1cc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cn1 97454547 RLDJSYUBWWGPGK-OAHLLOKOSA-N 315.377 2.028 0 40 DEAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)c2sccc2C)C1 57315179 RVLZLHSQAOMSQX-STQMWFEESA-N 324.446 2.060 0 40 DEAB C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)CCc1nc(C(C)(C)C)no1 107053282 RZMKZQHZXVDDCL-CHWSQXEVSA-N 322.453 2.098 0 40 DEAB COCCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1cccc(C)c1C 57982507 JTDDWZVOWSATFB-HOCLYGCPSA-N 305.374 2.314 0 40 DEAB CC1(C)CC(N2C(=O)c3ccccc3S2(=O)=O)CC(C)(C)N1 44644756 ISJWOVUJHKLRCR-UHFFFAOYSA-N 322.430 2.140 0 40 DEAB O=c1c([N+](=O)[O-])c[nH]c2ccc(I)cc12 44628678 QRNFYFWHVNIWMJ-UHFFFAOYSA-N 316.054 2.041 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)C(=O)c1ccc(C(C)(C)C)cc1 58145393 HPQAOQSOXZBVNK-GFCCVEGCSA-N 318.417 2.198 0 40 DEAB Cc1cccc(CCNC(=O)c2sccc2-n2cnnn2)c1 58190752 RLMAAMIDQIWPJR-UHFFFAOYSA-N 313.386 2.005 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1=Cc2ccccc2OC1 84579401 GSQWZGSWHUEACT-FUHWJXTLSA-N 307.349 2.237 0 40 DEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc2[nH]cnc2c1 48291098 JBJCNMYDOSCXTQ-CYBMUJFWSA-N 323.352 2.475 0 40 DEAB COc1cccc([C@H]2CCCN2C(=O)NCc2cc[nH]n2)c1 48234577 VTEOWGRHDRPJBX-OAHLLOKOSA-N 300.362 2.465 0 40 DEAB Cc1nc2c(cc1C(=O)NCCCOCC(C)C)c(C)nn2C 44910838 OWVSZYHZISVNGA-UHFFFAOYSA-N 318.421 2.378 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2ccccc2c1 58391671 SMTVLYDKWJXNJW-QZTJIDSGSA-N 310.397 2.433 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)CCO3)CC1 45126621 WMCLYOKDLIUCHD-UHFFFAOYSA-N 303.358 2.037 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1n[nH]c(-c2ccco2)n1 12782400 LVDPGDFIKKEZJZ-UHFFFAOYSA-N 301.306 2.241 0 40 DEAB Cc1nc(SCC(=O)c2ccc[nH]2)c(C(N)=O)c(C)c1C 12778675 HMPVKMVUDFKKIK-UHFFFAOYSA-N 303.387 2.409 0 40 DEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2F)cn1 3316667 AWLKHOXOMPYDFT-UHFFFAOYSA-N 323.711 2.373 0 40 DEAB CN1C(=O)N(C[C@H](O)c2ccccc2F)C(=O)C12CCCCC2 28913133 IDZYZJUNXUKLNK-AWEZNQCLSA-N 320.364 2.456 0 40 DEAB O=S(=O)(c1ccccc1F)N1CCC[C@@H](c2ccn[nH]2)C1 37990938 LFEDRDUOUUWRKE-LLVKDONJSA-N 309.366 2.117 0 40 DEAB COC(=O)c1cnc(NC(=O)COc2ccccc2C)s1 8940805 QRRQLZDVBHOULV-UHFFFAOYSA-N 306.343 2.256 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@@H](C)C3)c12 8942722 CIAJJLQEKMRNOR-VIFPVBQESA-N 301.346 2.270 0 40 DEAB COc1ccccc1N1CCN(c2ncccc2C(=O)O)CC1 13090309 JPGMNSOHIWFCTI-UHFFFAOYSA-N 313.357 2.115 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 13425359 LFNNZDWBAJEGJE-TXEJJXNPSA-N 313.419 2.370 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cccc(N(C)C)c1)c1ccccc1 64844410 YADIXXUITMSRIE-INIZCTEOSA-N 312.369 2.397 0 40 DEAB COc1ccc2[nH]cc(C(=O)CN3C[C@H](C)O[C@H](C)C3)c2c1 13810363 KNTPJNACMVVTAG-TXEJJXNPSA-N 302.374 2.468 0 40 DEAB C[C@@H]1SCCN(C(=O)c2ccc(N3CCCC3)nn2)[C@@H]1C 97002207 NEKFOXGQNJNVKA-NEPJUHHUSA-N 306.435 2.043 0 40 DEAB C[C@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCOCC1 65423398 LYCVBMUBIQONAX-NSHDSACASA-N 315.373 2.364 0 40 DEAB CCc1ccc(CNC(=O)NCC(=O)Nc2cccnc2)s1 65565365 JFMPWNSSRRMTPI-UHFFFAOYSA-N 318.402 2.143 0 40 DEAB NC(=O)[C@@H]1CCCCN1c1nc(C(F)(F)F)nc2ccccc12 14169750 ROKPBKWMVMOXBV-NSHDSACASA-N 324.306 2.493 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(C(=O)NCCc2cccs2)C1 65622348 ZSMRCFPXUKEOPB-GFCCVEGCSA-N 319.434 2.008 0 40 DEAB COCCC1=NN(C(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 5524863 GJHMARSGBUCPCZ-CYBMUJFWSA-N 316.279 2.176 0 40 DEAB COC[C@H](Nc1cccc(C(=O)N2CCOCC2)c1C)C1CC1 97037554 JOXIRAXVPGIBIM-KRWDZBQOSA-N 318.417 2.304 0 40 DEAB O=C(CSc1nc2ccccc2o1)OCC(=O)N1CCCC1 5970356 FROOZQIKFGLCTB-UHFFFAOYSA-N 320.370 2.086 0 40 DEAB NC(=O)c1ccc(OCc2cc(F)cc3c2OCOC3)cc1 15395005 NQZAUBMRGKKLOG-UHFFFAOYSA-N 303.289 2.370 0 40 DEAB O=C([C@H]1CCOc2ccccc21)N1CCC[C@@H](n2cncn2)C1 72235107 DYOWPWVFTVXIRZ-HIFRSBDPSA-N 312.373 2.008 0 40 DEAB Cc1ccc([C@H]2CCCN2S(=O)(=O)c2cn(C)c(C)n2)o1 72286622 ABRQBRICOYMCLN-GFCCVEGCSA-N 309.391 2.156 0 40 DEAB COc1ccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1OC 7616133 YRNZWOUDAACXRP-KBXCAEBGSA-N 319.401 2.471 0 40 DEAB biogenic CNC(=O)c1ccc(/C=C/C(=O)Nc2ccnn2C(C)C)cc1 68234535 SMDCVXINXWGHTC-RMKNXTFCSA-N 312.373 2.476 0 40 DEAB Cn1cc[n+](Cc2cc(=O)oc3cc(Br)ccc23)c1 7785163 XTRAKRTVLKHPJM-UHFFFAOYSA-N 320.166 2.230 0 40 DEAB CCC(=O)N1CCCN(c2ncnc3cc(F)c(F)cc23)CC1 96429210 KJDYAYGGEJYSDY-UHFFFAOYSA-N 320.343 2.357 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)N1CCOc2ncccc21 96452433 UEIAGJUTOFUSHU-XYOKQWHBSA-N 302.355 2.281 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)c1 71888932 SXXSYNYFSUNLAS-CABCVRRESA-N 323.458 2.175 0 40 DEAB Cc1sc2ncnc(N[C@@H]3CCc4ncnn4C3)c2c1C 69489555 MMUDXUVUSWLXBM-SNVBAGLBSA-N 300.391 2.327 0 40 DEAB COc1ccc([C@H](O)CNC(=O)c2cccc(F)c2F)cc1 69439800 YXNBJPIAGAGKCX-CQSZACIVSA-N 307.296 2.437 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2)c1 8401529 NHKNFHJJIREQNU-LBPRGKRZSA-N 318.398 2.086 0 40 DEAB C[C@@H](SCc1ccccc1)C(=O)NCc1cc[nH]c(=O)c1 69569379 LAHCAQYHXUYRLR-GFCCVEGCSA-N 302.399 2.313 0 40 DEAB O=C(Nc1ccc(Cl)cc1-n1cccc1)[C@H]1COCCO1 69707207 KOBZLPIWSVYIAE-CQSZACIVSA-N 306.749 2.485 0 40 DEAB C[C@H](NC(=O)N[C@@H](C)c1ccncc1)C(=O)N1CCCC[C@H]1C 69778723 BOIVWMQYVFIRKE-RDBSUJKOSA-N 318.421 2.231 0 40 DEAB CC(C)(C)c1ccc(C(=O)CSc2nnc(O)[nH]c2=O)cc1 8685974 CKFZJVVVHWHWFB-UHFFFAOYSA-N 319.386 2.143 0 40 DEAB O=C(c1cccc(CNCCn2cccn2)c1)N1CCCCC1 69820150 DHILRSAABWEIAT-UHFFFAOYSA-N 312.417 2.299 0 40 DEAB COc1ccc2c(c1)[C@H](NC(=O)C1CC1)CCN2C(=O)C1CC1 97137898 QUUXTVFDHGOHTM-OAHLLOKOSA-N 314.385 2.409 0 40 DEAB C[C@H](NC(=O)N1CCCC[C@H](N2CCCC2)C1)c1cnn(C)c1 95405340 VVEJWMOJTHTPSY-HOCLYGCPSA-N 319.453 2.141 0 40 DEAB Cn1c(CNC(=O)c2ccc(Cl)cc2F)nnc1C1CC1 95465062 LBVKAMXBFMOLPH-UHFFFAOYSA-N 308.744 2.415 0 40 DEAB CN1CCO[C@H](C(=O)Nc2ccccc2N(C)C2CCCC2)C1 95417311 HUEARIRMBHJWQU-KRWDZBQOSA-N 317.433 2.335 0 40 DEAB O=C(NC[C@@H]1CC=CCC1)N1CCC(O)(C(F)(F)F)CC1 95985198 IAPYHYMUORNNGY-LLVKDONJSA-N 306.328 2.442 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cc1ccccc1F 95980335 QOJMFBFCFHPLCG-OAHLLOKOSA-N 317.364 2.308 0 40 DEAB Cc1ccc(OCCC(=O)N[C@@H]2CCCC[C@H]2C(N)=O)cc1C 75094433 MIKRSPYYIRYPQE-HZPDHXFCSA-N 318.417 2.233 0 40 DEAB COc1c(C(=O)Nc2ccc3nc(C)oc3c2)c(C)nn1C 89512477 JSWKCZQWXJCQMW-UHFFFAOYSA-N 300.318 2.439 0 40 DEAB Cc1ccc(S(N)(=O)=O)c(C(=O)N(C2CC2)[C@@H](C)C2CC2)c1 89611886 STGRYONIQOICTO-NSHDSACASA-N 322.430 2.046 0 40 DEAB O=C1CN(Cc2ccn(C3CCCC3)n2)[C@H]2CCCC[C@H]2N1 89884710 MZXXGUKKAYFMLM-CVEARBPZSA-N 302.422 2.241 0 40 DEAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCOC[C@@H]1C1CC1 89971599 GEFRHRJFEACYIZ-QGZVFWFLSA-N 311.385 2.182 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2noc(C(C)C)n2)no1 75581763 LDGQHJNKUNIPOG-LLVKDONJSA-N 319.365 2.265 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@@H]1NC(=O)CN 79409313 WLGVPGAFQHBHQX-QWHCGFSZSA-N 313.442 2.018 0 40 DEAB CN(C)C(=O)[C@@H]1CSCN1C(=O)CC/C=C/c1ccccc1 78119197 CQXWCTAMDFOFMJ-WGPYJDKQSA-N 318.442 2.470 0 40 DEAB Cc1nc([C@H]2CN(Cc3ccccc3)CCO2)cc(N(C)C)n1 72387746 QITFNLHSBLKNCU-QGZVFWFLSA-N 312.417 2.425 0 40 DEAB O=C(Nc1ccc2cn[nH]c2c1)c1ccc(N2CCCC2)nn1 69375147 TWLLLMSIBLRLRJ-UHFFFAOYSA-N 308.345 2.205 0 40 DEAB CCC(=O)Nc1cccc(C(=O)NCC[S@](=O)C(C)(C)C)c1 79001922 JJCJSAYTGUEUOD-JOCHJYFZSA-N 324.446 2.312 0 40 DEAB Nc1nn(CCC(F)(F)F)cc1I 72339492 LELNQLLXJIKRQE-UHFFFAOYSA-N 305.041 2.022 0 40 DEAB NS(=O)(=O)c1ccc(NCCC2=CCCCC2)c(C(=O)O)c1 217535248 XKRPVBHUZAKUAF-UHFFFAOYSA-N 324.402 2.335 0 40 DEAB COCCCNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 36611045 CWFQILBQNZAPCG-UHFFFAOYSA-N 324.331 2.311 0 40 DEAB CC(C)c1cc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)on1 73117382 OKMFYVTZKWRKRL-LLVKDONJSA-N 322.434 2.047 0 40 DEAB COc1cc(CNC(=O)C[C@@H]2OCCc3ccccc32)ccn1 79356676 IJIRBBIBIOAVDA-INIZCTEOSA-N 312.369 2.411 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2cccc(C)c2C)C1 40160904 SJJYAMNNZQLILI-OAHLLOKOSA-N 319.401 2.484 0 40 DEAB CC(C)(C)OC(=O)CCC(=O)N1CCC(n2ccnc2)CC1 192390085 OUCFPCVVGZZFEU-UHFFFAOYSA-N 307.394 2.169 0 40 DEAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)c1nccs1 80338714 ZEFQUGVLSSJBOT-SECBINFHSA-N 301.331 2.037 0 40 DEAB COC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(O)c1Cl 44973360 XVYUKOBSNRUNOQ-GFCCVEGCSA-N 320.736 2.099 0 40 DEAB CCC1(CNC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)CCC1 84164890 HQIXNDVWTJMKHA-STQMWFEESA-N 316.467 2.222 0 40 DEAB COC[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(Cl)cc1 194484908 OJUBTELKSCEEKQ-NILFDRSVSA-N 324.808 2.264 0 40 DEAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO 223562541 KEYZKBUVIVGZNW-OLZOCXBDSA-N 319.455 2.416 0 40 DEAB COC(=O)C(C)(C)[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1 195548796 AVWATIYMJLEOGU-HUUCEWRRSA-N 318.417 2.124 0 40 DEAB O=C(c1ccnc2ccncc12)N1CCCC[C@H]1[C@H]1CCNC1 333856751 RCUOKGBANQOMNQ-GUYCJALGSA-N 310.401 2.234 0 40 DEAB Cc1noc(C[C@@H]2COC[C@H]3CN(Cc4ccsc4)C[C@@H]23)n1 96057247 DIALRWLSRSCVSX-KFWWJZLASA-N 319.430 2.377 0 40 DEAB O=C1C[C@]2(CCN(Cc3ccccc3)C2)CN1c1cncnc1 96239205 LOHVREUUXBZTJO-SFHVURJKSA-N 308.385 2.106 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCO[C@@H]2CCN(CC3CC3)C[C@H]21 96043352 ILVDYYRYHUALGY-IXDOHACOSA-N 318.417 2.033 0 40 DEAB O=C(NC1Cc2ccccc2C1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 97377421 AJDBEPFNVPIRJT-ZACQAIPSSA-N 300.402 2.411 0 40 DEAB CCOC1CN(C(=O)NCc2ncc(-c3ccccc3)o2)C1 579562418 VWGVOJQHRVYIGX-UHFFFAOYSA-N 301.346 2.272 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1cccc(F)c1)C2 96039035 IMLHXXXAILTRNP-FUHWJXTLSA-N 321.392 2.412 0 40 DEAB C[C@@H](CNC(=O)c1cnn(C(C)(C)C)c1)CC1(C)OCCO1 96418587 RWJVWIWDVPVBMU-GFCCVEGCSA-N 309.410 2.157 0 40 DEAB Cc1nc(S(=O)(=O)N2CCSc3ccccc32)cn1C 96461794 CFJRLUCHKCQDTH-UHFFFAOYSA-N 309.416 2.030 0 40 DEAB CCOC(=O)[C@H]1CN(Cc2ccoc2)Cc2ncn(CC)c21 96059358 JERXBAPVZRTLBL-ZDUSSCGKSA-N 303.362 2.159 0 40 DEAB O=S(=O)(Cc1ccon1)N1CCS[C@H](c2ccccc2)C1 96428073 LCZLIVJRJFUYPI-AWEZNQCLSA-N 324.427 2.295 0 40 DEAB COC[C@@H]1CN(C(=O)c2ccco2)Cc2ncn(CC3CC3)c21 96060278 XTWSSRPKKPCEPE-ZDUSSCGKSA-N 315.373 2.272 0 40 DEAB Cc1cc([C@H]2CN(C(=O)c3ncccc3C)CCO2)nc(C)n1 257215985 CSOUJXSAEWJPCV-OAHLLOKOSA-N 312.373 2.011 0 40 DEAB CC(=O)N1CC[C@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257237091 HFDVFLOHROPBSH-CYBMUJFWSA-N 300.362 2.159 0 40 DEAB O=C(CCc1cc(Cl)no1)N1CCC(c2cnccn2)CC1 257288002 PSJAYBXMERQJLQ-UHFFFAOYSA-N 320.780 2.457 0 40 DEAB CO[C@H]1C[C@@H]2CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]2C1 257252591 JVHSOIIYWRPHAR-WDNDVIMCSA-N 313.401 2.379 0 40 DEAB CCc1ccccc1NC(=O)COc1ccc(-n2cccn2)nn1 96024977 SLSSACDRLLEJSK-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4CC(C)C4)C[C@H]3C2)cs1 585107586 JGTXVTWHKWXMOM-UZVIJOLCSA-N 319.474 2.388 0 40 DEAB CCS(=O)(=O)NCCSc1ccc(C(F)(F)F)cn1 68044363 CVEJRWRBSXOETF-UHFFFAOYSA-N 314.354 2.132 0 40 DEAB Cc1cc(CN2CCN([C@H](C)c3nc(C(C)C)no3)CC2)no1 69489829 YPRRYSCRHNSBEH-CYBMUJFWSA-N 319.409 2.368 0 40 DEAB COc1cc(OC)cc(C(=O)O[C@H](C(N)=O)c2ccccc2)c1 32869122 JITMNOKIRKDDSL-HNNXBMFYSA-N 315.325 2.087 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)on1 71883056 STCXTKATFFNDAH-LLVKDONJSA-N 307.300 2.270 0 40 DEAB COCc1cccc(C(=O)N2CCOC[C@@H]2c2cccn2C)c1 97144171 FERSKLUJRSWSKA-QGZVFWFLSA-N 314.385 2.385 0 40 DEAB O=C(CCc1ccccc1)OCc1cc(=O)n2ccsc2n1 5367682 MBHAJWSBEKLAEQ-UHFFFAOYSA-N 314.366 2.432 0 40 DEAB C[C@H](Sc1nc(N)cc(=O)[nH]1)C(=O)c1ccc(Cl)cc1 13165101 AODPBODBIRSTCF-ZETCQYMHSA-N 309.778 2.369 0 40 DEAB C[C@@H]1CC(=O)c2cnc(NC(=O)COc3ccccc3)nc2C1 13635977 KRILHRBKLQLEGV-NSHDSACASA-N 311.341 2.259 0 40 DEAB Cc1csc2nc(COC(=O)c3cccs3)cc(=O)n12 15734129 LGRLYMWFWVKZJH-UHFFFAOYSA-N 306.368 2.483 0 40 DEAB Cc1ccc([C@H]2[C@@H]3C(=O)N(C)C(=O)[C@H]3ON2c2ccccc2)cc1 17722600 CAVFFBJJNMNHHB-ULQDDVLXSA-N 322.364 2.471 0 40 DEAB O=C(Nc1nc(C2CC2)cs1)N[C@H]1CCc2[nH]ncc2C1 151397421 LTKOUDUKVLXEGG-JTQLQIEISA-N 303.391 2.423 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100199662 MDTWGIKGLITWIA-KWRZAIAESA-N 323.348 2.169 0 40 DEAB CC(C)COc1cccc(CN[C@@H](CO)c2cnn(C)c2)c1 534345991 RBIXFXAZBWWZCN-KRWDZBQOSA-N 303.406 2.278 0 40 DEAB Nc1nc(SCc2nc(-c3ccccc3Cl)no2)n[nH]1 8292550 WCRBNTMRFQTLHS-UHFFFAOYSA-N 308.754 2.383 0 40 DEAB COc1ccccc1CC(=O)N1CC[C@@H](Oc2ccccn2)C1 238955118 XUJUIXRAGRAZQN-OAHLLOKOSA-N 312.369 2.313 0 40 DEAB C[C@@H]1CN(C(=O)COc2cccc3c2OC(C)(C)C3)C[C@@H](C)O1 7453137 PBSWDSXGSJRPSU-CHWSQXEVSA-N 319.401 2.415 0 40 DEAB COc1ccc(S(=O)(=O)NCc2ccsc2)cc1F 13724911 OCVPBRHTXZCFJS-UHFFFAOYSA-N 301.364 2.374 0 40 DEAB Cc1cc(O[C@H]2CCCN(C(=O)CC(F)(F)F)C2)nc(C)n1 575610586 WFXQLKYOEKLHKW-NSHDSACASA-N 317.311 2.416 0 40 DEAB Cc1csc(C(=O)N2CCCC[C@H]2c2cc(C(N)=O)[nH]n2)c1 225555709 DUCBGHPMONTPOJ-LBPRGKRZSA-N 318.402 2.246 0 40 DEAB COC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(C)c2C)CC1=O 8234838 ZDOTVJKJELELGW-TZMCWYRMSA-N 304.390 2.125 0 40 DEAB O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCCCC1 49334 AYSYIJKWUONZAL-UHFFFAOYSA-N 300.358 2.356 0 40 DEAB Cc1noc(C)c1CN1CCC[C@H]1C(=O)NCc1ccco1 31557714 VIGUTAXOQHNUMO-HNNXBMFYSA-N 303.362 2.165 0 40 DEAB O=C([C@@H]1CCCN1c1nc2ccccc2s1)N1CCOCC1 40511169 ZRVBGYJMZXUAJH-ZDUSSCGKSA-N 317.414 2.124 0 40 DEAB Cc1ncsc1C(=O)N(C)C[C@H]1COc2ccccc2O1 40529571 INMFJOUTUBIJFJ-NSHDSACASA-N 304.371 2.364 0 40 DEAB CCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101084677 VJVPDUWMPGYWDH-DPDCMNJDSA-N 311.337 2.314 0 40 DEAB O=C(CP(=O)(O)O)Nc1nc2ccc(Cl)cc2s1 20502712 UJZBJCSQTYSICH-UHFFFAOYSA-N 306.667 2.066 0 40 DEAB O=C(Cn1nnc2ccccc21)N[C@H]1CCOc2ccccc21 32722144 WPRMXOOXJDSDLG-ZDUSSCGKSA-N 308.341 2.071 0 40 DEAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1nnc2ccccn12 32809136 VVYBNBFAAWTGOJ-SECBINFHSA-N 302.284 2.499 0 40 DEAB O=C(NCC(F)(F)F)c1cccc(NC(=O)[C@H]2CCCO2)c1 32883603 JTXCJZZUELLMMC-LLVKDONJSA-N 316.279 2.096 0 40 DEAB c1ccc2oc([C@H]3CCCN(c4ccc5nnnn5n4)C3)nc2c1 32923593 AJVXYYYSPDWVDU-NSHDSACASA-N 321.344 2.045 0 40 DEAB CNC(=O)[C@@H]1CCCCN1C(=O)c1ccc(-n2cccc2)cc1 33212345 NVNIXHFRHTUKIB-INIZCTEOSA-N 311.385 2.218 0 40 DEAB COc1ccc(N2C(=O)C[C@H](Cn3nc(C)cc3C)C2=O)cc1 552998 LONJKNTYLIDGNH-CYBMUJFWSA-N 313.357 2.088 0 40 DEAB Cc1cc(NC(=O)NC[C@H](O)CO[C@@H](C)c2ccccc2)no1 46870661 XGSJUDITISBXJM-JSGCOSHPSA-N 319.361 2.243 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1ccc(F)c(F)c1 78821774 PFCPUMQPFYFYLT-MWLCHTKSSA-N 323.343 2.088 0 40 DEAB CCCc1c(C(=O)NCCC[C@H](O)CC)[nH]c(C)c1C(=O)OC 79000685 YZVCVRCQVCHHMC-GFCCVEGCSA-N 324.421 2.343 0 40 DEAB COC(=O)C1CCN(C(=O)CCc2ccc(OC)cc2)CC1 42236548 HNCZUANFYVXIJA-UHFFFAOYSA-N 305.374 2.039 0 40 DEAB Cc1ccnc2nc(C(=O)N3CCC[C@@H]3CC(C)(C)C)nn12 61527377 IEVDZTPVDAQJTD-GFCCVEGCSA-N 301.394 2.474 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(-c2nnc(S)o2)cc1 6493418 WHQZBMMCNPILFJ-UHFFFAOYSA-N 313.404 2.056 0 40 DEAB COCCCNC(=O)[C@H](C)n1cc(C(=O)OC)c2ccccc21 6955846 SPTYZOPCBKWLLE-LBPRGKRZSA-N 318.373 2.142 0 40 DEAB C[C@@H]1CN(C(=O)CN(C)CC23CC4CC(CC(C4)C2)C3)CCO1 54117775 PQKLMJBYBVXSKK-DGTBMVLOSA-N 320.477 2.382 0 40 DEAB O=C(NCCCSc1ccc(F)cc1)c1ccc(O)nn1 24729379 DQHVRXGZVRYCQX-UHFFFAOYSA-N 307.350 2.234 0 40 DEAB CS(=O)(=O)Nc1ccccc1C(=O)NCCc1cccs1 24982260 WWLQGASNVIFBFJ-UHFFFAOYSA-N 324.427 2.092 0 40 DEAB COc1ccccc1[C@H](C)N(C)C(=O)c1ccn(C)c(=O)c1 25113868 LBYDXFNSMONFEL-LBPRGKRZSA-N 300.358 2.227 0 40 DEAB CC1=NCCNC2=C1[C@@H](c1cccnc1)N(c1ccccc1)C2=O 1404959 MGIRQMQOVWUCIH-GOSISDBHSA-N 318.380 2.488 0 40 DEAB Cc1ccc(-c2nn(CCC(=O)O)cc2CCC(=O)O)cc1 3272953 IXJDYUALRPUIEL-UHFFFAOYSA-N 302.330 2.350 0 40 DEAB O=C(NCCc1ccco1)C1=NN(c2ccccc2)C(=O)CC1 48273830 LUGBLVHKNFRFAB-UHFFFAOYSA-N 311.341 2.121 0 40 DEAB CC(=O)N1CCCN([C@@H](C)c2nnc(-c3cccs3)o2)CC1 27565006 BPZHXEUKTWYFJM-NSHDSACASA-N 320.418 2.413 0 40 DEAB CCN(CCN1CCCC1=O)Cc1ccc(OC)c(OC)c1 58162324 BAEXBIXOQFNRJU-UHFFFAOYSA-N 306.406 2.148 0 40 DEAB CCn1c(=O)n(CC(=O)N[C@H](C)c2ccncc2)c2ccccc21 44891526 JHFVNWCOZLVRTJ-CYBMUJFWSA-N 324.384 2.095 0 40 DEAB Cc1nccn1-c1ncccc1NC(=O)COCC(F)(F)F 58379228 OIDOIPXHEYMMTA-UHFFFAOYSA-N 314.267 2.093 0 40 DEAB C[C@]1(C(=O)NCC(=O)NC2CCCCC2)CC1(Cl)Cl 58417745 PLCNJJKSBHACCJ-GFCCVEGCSA-N 307.221 2.135 0 40 DEAB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccc2c(c1)OCCO2 58405227 QQSUFEJPICUNOF-OLZOCXBDSA-N 314.389 2.047 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)nc2)C1 3314718 BYRDDSKVJUXLNQ-GHMZBOCLSA-N 310.781 2.396 0 40 DEAB CCN(Cc1ccco1)S(=O)(=O)c1ccccc1C(=O)OC 48368992 CUTIFDISZXNUTD-UHFFFAOYSA-N 323.370 2.277 0 40 DEAB CC(C)(C)c1cnc(CN2Cc3ccccc3C[C@H]2C(N)=O)o1 48302365 CBFVAAJVPXLYBQ-AWEZNQCLSA-N 313.401 2.384 0 40 DEAB C[C@H](NC(=O)c1ccc2ncsc2c1)C(=O)NC1CCCC1 48302428 QXWCXIWTERZEHY-JTQLQIEISA-N 317.414 2.473 0 40 DEAB C[C@@H](C(=O)N(C)C)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 36398790 KLCKUMOFHHKUHW-ZFWWWQNUSA-N 318.417 2.462 0 40 DEAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cn1 11007697 NNAFQSQYAPFQOW-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB O=c1[nH]cnc2c1cnn2-c1ccc(Br)cc1F 61720604 KOYGWYLOFZHICG-UHFFFAOYSA-N 309.098 2.010 0 40 DEAB Cn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCCC3 2576549 ADRDBLIKDHMSHX-UHFFFAOYSA-N 310.400 2.051 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c[nH]1 36983650 SVNXLYWLVGFJLQ-UHFFFAOYSA-N 318.713 2.306 0 40 DEAB COC(=O)c1sc2[nH]c(-c3ccc(O)cc3)nc(=O)c2c1C 46438366 HKSYOLGYCQBNQY-UHFFFAOYSA-N 316.338 2.452 0 40 DEAB CN(CC(=O)NC(=O)NCc1ccccc1)Cc1ccsc1 12912343 RFOJWMVSHGTCLP-UHFFFAOYSA-N 317.414 2.206 0 40 DEAB CNC(=O)C1CCN(Cc2noc(-c3cccc(C)c3)n2)CC1 65446922 OYJZJXWKFPLBBZ-UHFFFAOYSA-N 314.389 2.003 0 40 DEAB O=C(Nc1ccc2nccnc2c1)[C@H]1COc2ccccc2O1 5347214 KWMIGNZHPIOUIO-MRXNPFEDSA-N 307.309 2.408 0 40 DEAB O=C(NCCNc1ccccn1)Nc1ccc2oc(=O)ccc2c1 65789300 VSNOQYGBMMSEKH-UHFFFAOYSA-N 324.340 2.422 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H]2CCS(=O)(=O)C2)c(Cl)c1 14671175 ZFAPLRLNBCWVLV-SNVBAGLBSA-N 301.795 2.330 0 40 DEAB CC(=O)c1ccccc1NCC(=O)NC(=O)NC1CCCC1 9155936 BIHANDQLONKYTP-UHFFFAOYSA-N 303.362 2.070 0 40 DEAB CCCCNC(=O)NC(=O)CSc1nc2ccccc2[nH]1 7058485 AUNCNLSCFALOID-UHFFFAOYSA-N 306.391 2.281 0 40 DEAB O=c1cc(CSC2=N[C@H]3CCCC[C@@H]3N2)nc2sccn12 15456773 LGEQWOAUPKEQHP-QWRGUYRKSA-N 320.443 2.260 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OCC(F)F)nc1 90396438 ADEGBEMWUNSRFJ-LBPRGKRZSA-N 314.332 2.367 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)N[C@H](C)c1cc(C)cc(C)c1 71885798 DXRZTFRYBZGUGE-OCCSQVGLSA-N 323.462 2.271 0 40 DEAB O=C(CNC(=O)c1ccco1)NCCSCc1ccccc1 7642688 PLXWRLOGGYEGCG-UHFFFAOYSA-N 318.398 2.059 0 40 DEAB O=C(CS(=O)(=O)C1CCCC1)Nc1ccc(Cl)nc1 71803708 FSVRELPVZRDYHY-UHFFFAOYSA-N 302.783 2.031 0 40 DEAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)[C@H]2CCOC2)c1 69337519 SJUIYHSXTXHEAU-ZDUSSCGKSA-N 318.373 2.048 0 40 DEAB CCOc1ccc(CCC(=O)N2CCN(C)CC2)cc1OCC 20110132 CVXQSTNFFZTHAG-UHFFFAOYSA-N 320.433 2.191 0 40 DEAB Cc1ccc(N2CCCN(C(=O)c3cccs3)CC2)nn1 69491635 QGKBKCLQNKJKHP-UHFFFAOYSA-N 302.403 2.199 0 40 DEAB Cc1ccc([C@@H](CNCc2c[nH]nc2C)N2CCOCC2)cc1 71819619 DBUWXDFZZIMJFK-GOSISDBHSA-N 314.433 2.190 0 40 DEAB COc1ccccc1NC(=O)Cc1noc(C2CCOCC2)n1 69918334 DZBYKJDQSUDMCS-UHFFFAOYSA-N 317.345 2.153 0 40 DEAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NCc1ccco1 9737954 KDSOGCKITMVHTC-HNNXBMFYSA-N 318.348 2.490 0 40 DEAB Cc1cc[nH]c(=O)c1C(=O)Nc1ccc(N2CCCC2)nc1C 97050698 LCZNURYZSACQEY-UHFFFAOYSA-N 312.373 2.239 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)sc1C 72297517 WEGGPPKYQIBQGD-AWEZNQCLSA-N 318.446 2.442 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@@H](c2ccn[nH]2)C1 72282687 QIDBFEAVORUHHH-OAHLLOKOSA-N 311.385 2.293 0 40 DEAB Cc1nc([C@@H](C)NC(=O)N[C@H](C)C(=O)NC(C)(C)C)cs1 72271591 SBYJXELIZNIEQY-RKDXNWHRSA-N 312.439 2.115 0 40 DEAB C[C@@H](O)[C@@H]1CCN(C(=O)NCCOc2ccccc2Cl)C1 97108064 OQHGLGMIMTUXIK-VXGBXAGGSA-N 312.797 2.131 0 40 DEAB CN(C(=O)C1CC1)[C@@H](C(=O)O)c1cccc(Br)c1 84749112 NJYMRMSKZYJUNC-LLVKDONJSA-N 312.163 2.443 0 40 DEAB COc1ccccc1CN[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C 84714955 YFQQPIPOHLYFTN-CZUORRHYSA-N 302.418 2.432 0 40 DEAB Cc1ccc(CNC(=O)c2ncoc2C)c(N2CCCC2)n1 95469056 YQFBFBMQYXOXML-UHFFFAOYSA-N 300.362 2.217 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cc1cccs1)CC2 95400620 RNQWWSRSIOLWIZ-ZIAGYGMSSA-N 309.431 2.069 0 40 DEAB CC[C@@H]1C(=O)NCCN1C(=O)Nc1ncc(CC(C)C)s1 95416205 IEDFAGLSGMCDND-LLVKDONJSA-N 310.423 2.084 0 40 DEAB CC[C@H](CNC(=O)c1c[nH]c(C)cc1=O)Oc1ccccc1 73609302 OGZMJVLFBRIIRF-CYBMUJFWSA-N 300.358 2.271 0 40 DEAB Cc1c(Br)cccc1C(=O)N1CCC[C@@H]1C(=O)O 88440170 AXIVQUJKUNKCNK-LLVKDONJSA-N 312.163 2.447 0 40 DEAB COc1ccc2c(=O)n(Cc3nc(-c4ccco4)no3)cnc2c1 95980511 GRFHSSPCRMCUIB-UHFFFAOYSA-N 324.296 2.096 0 40 DEAB NC(=O)C1CCN(c2ccccc2NCc2cncs2)CC1 95995845 AOAZLENKRBJLKW-UHFFFAOYSA-N 316.430 2.457 0 40 DEAB C[C@H](CSCc1nc(C(C)(C)C)no1)CS(C)(=O)=O 95965083 GEZMSBJPTGBYPD-SECBINFHSA-N 306.453 2.281 0 40 DEAB C[C@H](NC(=O)N(CCO)C1CC1)c1cccc(-n2ccnc2)c1 74876535 BHVFIBXXTAVPGJ-ZDUSSCGKSA-N 314.389 2.100 0 40 DEAB Cc1cc(CNCCCS(C)(=O)=O)ccc1Br 89587464 CYSSZWBASUTPQN-UHFFFAOYSA-N 320.252 2.282 0 40 DEAB Cc1noc(CNC(=O)CCc2ccc(Br)cc2)n1 89721169 CZRITCUGGRCYDH-UHFFFAOYSA-N 324.178 2.390 0 40 DEAB CC(C)NC(=O)CCNC(=O)N[C@@H]1C[C@@H]1c1ccc(Cl)cc1 89885219 TZHKHCFMQSXVJU-ZIAGYGMSSA-N 323.824 2.410 0 40 DEAB CC[C@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@H]1N(C)C 89948572 CYZQQBPYDKVIDE-DZGCQCFKSA-N 304.438 2.321 0 40 DEAB CC(=O)NCCCNC(=O)Nc1ccc(Br)cc1 43133930 VDUHDXCITLGANL-UHFFFAOYSA-N 314.183 2.097 0 40 DEAB COC(=O)COc1c(Cl)cc(CO)cc1Br 34772883 DCUFBXXHJLDWPC-UHFFFAOYSA-N 309.543 2.147 0 40 DEAB COC(=O)c1cn(Cc2c(Cl)cccc2Cl)nc1N 408716848 RTGWPORJPFBJHE-UHFFFAOYSA-N 300.145 2.607 0 40 DEAB CO[C@@H]1CCC[C@@H](CC(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530080714 UDKOVJFBHVWGGG-UMVBOHGHSA-N 319.405 2.441 0 40 DEAB CCNC(=O)NCCNC(=O)Nc1cc(Cl)ccc1Cl 521394569 NCFRIDFMKORCAI-UHFFFAOYSA-N 319.192 2.434 0 40 DEAB CCN(CC1CCN(CCN)CC1)C(=O)OCc1ccccc1 79411633 HFYNOAUBHKBJHA-UHFFFAOYSA-N 319.449 2.316 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)N[C@@H](C)c2nc3ccccc3o2)C1 72245055 UVNQVYREXGFQQS-WCQYABFASA-N 315.373 2.264 0 40 DEAB CC(C)(C)C(=O)c1cc(C(=O)O)c(=O)n(-c2ccc(F)cc2)n1 225968056 JNMKNPXJHNPUTA-UHFFFAOYSA-N 318.304 2.299 0 40 DEAB COc1ccc(CCNc2ccc(N)cc2C(N)=O)cc1OC 225459840 ALQFLDIABXGPMR-UHFFFAOYSA-N 315.373 2.040 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226629299 OBGUHHIBCDQXFQ-UUASKDOFSA-N 323.348 2.031 0 40 DEAB O=C(O)c1cc(C(=O)N[C@@H]2CC=CCC2)n(-c2ccccc2)n1 195541642 OVXIALMATPKHMS-GFCCVEGCSA-N 311.341 2.409 0 40 DEAB CC[C@H](NCc1ncc[nH]1)[C@@H]1CN(Cc2ccccc2)CCO1 96473257 YUQIMVQGAZKWIV-IRXDYDNUSA-N 314.433 2.179 0 40 DEAB CC(C)=CC(=O)NCc1ccc(C(=O)NC[C@H]2CCOC2)cc1 96430689 KRLMLLIGIRGCAO-OAHLLOKOSA-N 316.401 2.035 0 40 DEAB Cn1cccc1[C@H]1COCCN1Cc1cn2ccsc2n1 195572441 VZXJRCRAPWFKDT-CQSZACIVSA-N 302.403 2.308 0 40 DEAB COCc1ncn2c1CN(C(=O)Nc1cccc(C)c1)CC2 96085140 MWZDODUIUZZSEM-UHFFFAOYSA-N 300.362 2.386 0 40 DEAB O=C(c1ccoc1)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238891486 QQQBVTAROUEHMC-ZETCQYMHSA-N 301.224 2.311 0 40 DEAB Cc1ccc(N2CC[C@@]3(CCCN(c4ncccn4)C3)C2)nn1 96158260 RPYBTVOWCWIVRK-KRWDZBQOSA-N 310.405 2.072 0 40 DEAB CN(C)c1ccnc(CNC(=O)c2ccc(F)cc2Cl)n1 96121013 ZUQUQRVDTHVMRI-UHFFFAOYSA-N 308.744 2.265 0 40 DEAB Cc1ccc(N2CCC[C@H](NC(=O)C3CCOCC3)C2=O)cc1 96425892 KQDGVIVDPDOZGS-INIZCTEOSA-N 316.401 2.033 0 40 DEAB Cc1nc(CN2CC[C@@]3(C[C@@H]3C(=O)NCC3CC3)C2)cs1 96075900 XJIWPDVWFNCFOY-GDBMZVCRSA-N 305.447 2.190 0 40 DEAB COc1cccc(C[C@@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c1 96440185 KVTIRXITOSSUJI-CHWSQXEVSA-N 316.405 2.420 0 40 DEAB COC[C@@H]1CN(C(=O)c2ccoc2)Cc2ncn(CC3CC3)c21 96045068 CLOVTFVSHAAZRF-AWEZNQCLSA-N 315.373 2.272 0 40 DEAB CC(C)OC[C@]12CCCO[C@H]1CCN(C(=O)c1cccn1C)C2 96040523 QYVZWUCHAGWPBR-FUHWJXTLSA-N 320.433 2.461 0 40 DEAB Cn1cc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2ccccc2)cn1 96186413 VSCWLYYYACWEDT-IRXDYDNUSA-N 310.401 2.190 0 40 DEAB Cc1cc(C(=O)N2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)no1 96046050 JGUCBVYFRNXHCL-CYZMBNFOSA-N 319.386 2.432 0 40 DEAB c1csc(CN2CC[C@@]3(COCCN([C@H]4CCOC4)C3)C2)c1 247855387 XGZSTFVDFDCHJZ-DOTOQJQBSA-N 322.474 2.061 0 40 DEAB CCOc1ccsc1C(=O)N1CC2(C[C@@H](OC)CS2)C1 247893235 UGTWLFLSNVSPLE-SNVBAGLBSA-N 313.444 2.493 0 40 DEAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)Cc2ccc(C)s2)[C@H]1O 257269983 MSHDAJUZHIOSLX-IIAWOOMASA-N 311.447 2.376 0 40 DEAB CC(C)C(=O)N1CCC[C@H]1c1ccc(CN2CCOCC2)cn1 257269779 MRISECACSSGPLM-KRWDZBQOSA-N 317.433 2.233 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2cnccn2)C1 257342565 ZPGFVOJTNACQSH-GFCCVEGCSA-N 300.362 2.355 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 257309467 UBAZCLBCJITAIX-GFCCVEGCSA-N 304.419 2.432 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)Cc2ccc(F)cc2C)[C@H]1O 257204117 ATCSVJCMMGVBNS-BFYDXBDKSA-N 309.381 2.111 0 40 DEAB c1cncc(CO[C@@H]2CSC3(C2)CN(C2CCOCC2)C3)c1 253596830 WJHKMXNRWZLGRM-INIZCTEOSA-N 320.458 2.337 0 40 DEAB CO[C@@H]1CC[C@@H](N(C)C(=O)CCc2ccc(Cl)cc2)[C@H]1O 257250516 JMVWCCKFDDWOBD-IIAWOOMASA-N 311.809 2.269 0 40 DEAB CN(C)c1ccc(CCCNc2ncnc3c2cnn3C)cc1 25567136 ZYWMTPZZCJVXDB-UHFFFAOYSA-N 310.405 2.474 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCCC1=CCCCC1 25717075 AQFUWSIXEZLUOW-UHFFFAOYSA-N 301.346 2.445 0 40 DEAB CO[C@H]1CCOC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2 575402423 AQUUTJROCFUVQF-HNNXBMFYSA-N 314.385 2.198 0 40 DEAB O=C(c1ccc(O)nc1)N1CCC[C@H]1c1cccc2nccn12 585182444 WAMNCWLDNCHTHI-AWEZNQCLSA-N 308.341 2.412 0 40 DEAB CC1(C)CCCC[C@@H]1C(=O)NCC1CCC(F)(F)CC1 97373362 GJYSAPWGANRTDD-VERVWZFWSA-N 287.394 4.145 0 40 DEAB CN(Cn1nc2c3ccccc3ncn2c1=O)C1CCCCC1 12183000 SAIMDYZANMRWNL-UHFFFAOYSA-N 311.389 2.266 0 40 DEAB CN1CCC[C@H](NC(=O)[C@@H]2CC(c3ccc(Cl)cc3)=NO2)C1 12195123 PNVVYSSGQSRTLM-ZFWWWQNUSA-N 321.808 2.043 0 40 DEAB COc1cc(C=O)ccc1OCC(=O)N1C[C@@H](C)C[C@@H](C)C1 13608960 OAVCUEHHWYCZBW-BETUJISGSA-N 305.374 2.391 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCSc1ccccc1 17333709 UEJSBQPGGCWCRT-UHFFFAOYSA-N 312.416 2.362 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)N[C@H]2CCN(c3ccccc3)C2)n1 71882812 GHMDUSMGLTVMLA-CVEARBPZSA-N 312.417 2.456 0 40 DEAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 5603297 VEMYFIGYCCNJFL-VOTSOKGWSA-N 308.384 2.047 0 40 DEAB CC(C)NC(=S)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 5633252 FQNRFVSWQPXJHF-CYBMUJFWSA-N 305.403 2.036 0 40 DEAB O=C(Cc1cccs1)N1CCN(C(=O)c2ccccc2)CC1 6579033 DXIODJLYKACUFG-UHFFFAOYSA-N 314.410 2.275 0 40 DEAB CC(C)c1ncnc(N2CCN(CC(F)(F)F)CC2)c1F 1888847447 GDZJKQYXZFSFPE-UHFFFAOYSA-N 306.307 2.423 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1C 24013720 GKKIQMKCEQRTAN-KBPBESRZSA-N 319.405 2.061 0 40 DEAB Nc1c(C(=O)Nc2cccc(F)c2)nnn1Cc1ccccc1 4852131 DOHWGDOYLYLKNG-UHFFFAOYSA-N 311.320 2.300 0 40 DEAB CN(C)CCNc1nc(Nc2ccccc2)c2nccnc2n1 9075194 ONIYAZFHPOBTLE-UHFFFAOYSA-N 309.377 2.137 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccccc1Cl 21110244 PMYAMEISMRIBON-UHFFFAOYSA-N 317.776 2.414 0 40 DEAB O=C(C1CCCCC1)N1CCc2nc([C@@H]3CCNC3)ncc2C1 19292415 RQFBFYUJUZMRBF-CQSZACIVSA-N 314.433 2.019 0 40 DEAB O=C(NC[C@H](O)c1cccs1)c1cc(=O)c2ccccc2o1 77182683 CEECSWGCLRZZKO-LBPRGKRZSA-N 315.350 2.318 0 40 DEAB O=C(NCc1nnc2ccc(C(F)(F)F)cn12)c1ccncc1 22024334 MSVTVZFXRQXJJR-UHFFFAOYSA-N 321.262 2.073 0 40 DEAB Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCCC2)cc1 42954 WAMLZCSGNRFPHO-UHFFFAOYSA-N 324.446 2.112 0 40 DEAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccc(C(N)=O)cc1 40498006 TWNWRTKINQYXLG-WBMJQRKESA-N 323.396 2.153 0 40 DEAB COc1ccc(CCNc2nn3c(=O)cc(C)nc3s2)cc1 40489702 ZXZYTHLEJUFDEZ-UHFFFAOYSA-N 316.386 2.123 0 40 DEAB CCC[C@@H](C)NC(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1 31735889 GMLMDAZZSICNHM-GHMZBOCLSA-N 305.357 2.345 0 40 DEAB C[C@H](NC(=O)CCSCC(N)=O)c1ccc(Cl)s1 32817589 OGQJZEIMWBLVRL-ZETCQYMHSA-N 306.840 2.187 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CSCc2noc(C)n2)cc1 32935213 DXJKMCJLJIISPS-UHFFFAOYSA-N 320.374 2.208 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)NC12CC3CC(CC(C3)C1)C2 21897287 JFNMAOIXQIXUTM-IWERZKIRSA-N 316.401 2.483 0 40 DEAB CC1CCN(C(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)CC1 355735 NXSVEYVMEYIXMQ-AWEZNQCLSA-N 324.446 2.100 0 40 DEAB C[S@@](=O)Cc1cc(NC(=O)c2ccc[nH]c2=O)ccc1Cl 72286104 MEKJNHNKXOBALZ-NRFANRHFSA-N 324.789 2.159 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1cccnc1 72298348 NILAFZYGZMVKHO-DOTOQJQBSA-N 300.406 2.299 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NC[C@H]1Cc2ccccc2O1 46875835 BZJPBNUFQCCMLK-CQSZACIVSA-N 315.373 2.437 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccoc3)C2)c1 78998615 WQAZAHDAIHOBNH-CYBMUJFWSA-N 316.357 2.306 0 40 DEAB O=S(=O)(Cc1ccccc1)CS(=O)(=O)Cc1ccccc1 1679108 DKXNMYFLQWZCGD-UHFFFAOYSA-N 324.423 2.174 0 40 DEAB O=C1O[C@@H](C(=O)Nc2nc3ccccc3[nH]2)Cc2ccccc21 6649114 VBWPFDGFWNDVLC-CQSZACIVSA-N 307.309 2.283 0 40 DEAB CCOC(=O)Cc1csc(SCC(=O)N[C@@H](C)CC)n1 7507740 BLVPCDGOPZCVIK-VIFPVBQESA-N 316.448 2.256 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 37410277 VFEITMRSMVIBAN-NSHDSACASA-N 301.264 2.324 0 40 DEAB OC[C@@H](O)CNc1ncnc2scc(-c3ccc(F)cc3)c12 84419710 INEAXQATDSTDSO-NSHDSACASA-N 319.361 2.263 0 40 DEAB CC(=O)N1C[C@@H](C(=O)N(C)c2ccccc2)Oc2ccccc21 25010542 LWRQBENTOAGPBR-KRWDZBQOSA-N 310.353 2.464 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C[C@H](C)O1 25374962 MULODSJQLGXHHI-KBPBESRZSA-N 316.401 2.058 0 40 DEAB CCc1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cnn1-c1ccccn1 48072823 RNNBFGKHFBVOLY-BETUJISGSA-N 314.389 2.079 0 40 DEAB CCOC(=O)c1ccc(NCc2cccc(C(=O)NC)c2)nc1 26728872 MNPXDEXIAXDUBQ-UHFFFAOYSA-N 313.357 2.230 0 40 DEAB CNC(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 58278191 VFGWCAQSARHAIX-LLVKDONJSA-N 301.173 2.344 0 40 DEAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(SC)cc1 44965543 UTSVJOIKWBZRHF-ZDUSSCGKSA-N 316.386 2.462 0 40 DEAB c1cc2c(cc1-c1n[nH]cc1CNC[C@H]1CCCO1)OCO2 44973795 DBZBRCBRGYHTTK-CYBMUJFWSA-N 301.346 2.074 0 40 DEAB COc1ccccc1-c1nnn(CC(=O)Nc2cccc(C)c2)n1 10337472 VFUVTFQMSRBDNQ-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCCO3)cn2)n1 27907353 AQUBIYKLLYTVNS-HIFRSBDPSA-N 314.389 2.181 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)c(C)c1 36297588 FNPYSLCVXXGSRT-HNNXBMFYSA-N 304.415 2.282 0 40 DEAB in-vitro Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3c2cnn3C)cc1 26850569 FCTSINIFDLXPOK-CQSZACIVSA-N 305.403 2.084 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3CC[C@@H]2C3)cc1 101518749 NUTITIYKYJGJGB-FIXIBIHLSA-N 316.357 2.330 0 40 DEAB Cc1cccc(-n2nnnc2S[C@@H]2CCCCNC2=O)c1C 11153982 LPLLVCUTMAAIGC-CYBMUJFWSA-N 317.418 2.040 0 40 DEAB CCOC(=O)c1cccnc1NC[C@@H](O)c1ccccc1OC 48314348 BDYGKUCVFRDJHZ-CQSZACIVSA-N 316.357 2.412 0 40 DEAB CCc1ccccc1NC(=O)[C@H](Cc1cccnc1)c1nnn[nH]1 57523477 SJELYPBSSILFLP-CQSZACIVSA-N 322.372 2.122 0 40 DEAB CCn1cc(-c2cc(C(F)(F)F)nc(NCCN)n2)c(C)n1 2538409 OPEMEBIPBPHLPZ-UHFFFAOYSA-N 314.315 2.058 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)NCC1(c2ccccc2)CC1 11749881 CJDSXJYNANGDBP-CYBMUJFWSA-N 312.369 2.246 0 40 DEAB Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccccc2)s1 3458530 DSFMCRDZCWYRBL-UHFFFAOYSA-N 317.366 2.212 0 40 DEAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1 84563536 HHFOZBBOOKBQJQ-CYBMUJFWSA-N 324.384 2.130 0 40 DEAB CCC(=O)N[C@H](N1C[C@H](C)O[C@@H](C)C1)C(Cl)(Cl)Cl 19315907 VJEWQZCTQBQROB-OYNCUSHFSA-N 317.644 2.318 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Br)o1 49452304 PHNGPUOKHKUWJX-JGVFFNPUSA-N 317.183 2.075 0 40 DEAB C[C@H](O)CNc1nc(N2CCCCC2)nc2c1SCCC2 9183799 RTVXLCYHRIWHSB-NSHDSACASA-N 308.451 2.298 0 40 DEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN1CCCCC1 5002247 LDQHFPLKHUTWDM-ZDUSSCGKSA-N 301.390 2.236 0 40 DEAB Cc1cc(F)ccc1-n1ccc(NC(=O)N[C@@H](C)[C@H](C)CO)n1 96010699 HMSPFAPLQIDIIV-NEPJUHHUSA-N 320.368 2.458 0 40 DEAB COc1ccc(OC)c2[nH]c(C(=O)Nc3cc(C)n(C)n3)cc12 96118026 JYOLJRQGRHUIKE-UHFFFAOYSA-N 314.345 2.479 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1cccnc1)c1noc(C)n1 72696298 PFWGQOBPHZNWMZ-HNNXBMFYSA-N 324.340 2.301 0 40 DEAB Cc1oc2ncn(C)c(=O)c2c1C(=O)Nc1ncccc1Cl 97232433 HFDRAKXSGMQFRA-UHFFFAOYSA-N 318.720 2.136 0 40 DEAB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1csnn1 67028096 IVIJVIUYKUOQPW-GFCCVEGCSA-N 324.406 2.098 0 40 DEAB O=C(NCc1cccs1)[C@H]1CC(=O)N(Cc2ccccc2)C1 5937051 NVDSTFWXXITFER-AWEZNQCLSA-N 314.410 2.413 0 40 DEAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1 7007632 PJSUGXCXSQKREW-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB O[C@H](CNCc1ccccc1F)COc1ccc2c(c1)OCO2 67976025 WSKPFHGJCWSHKO-CYBMUJFWSA-N 319.332 2.084 0 40 DEAB CCN1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1 19889754 FCRIYCGQGOJUAY-UHFFFAOYSA-N 301.434 2.141 0 40 DEAB O=C(c1cc(-n2cccn2)ccn1)N1CCOc2ccc(F)cc21 84617979 ZXHBQTRRVLHHMG-UHFFFAOYSA-N 324.315 2.446 0 40 DEAB O=C(CCNC(=O)c1ccc(O)c(Cl)c1)Nc1ccncc1 69490530 JDNQTIXRCCZTJW-UHFFFAOYSA-N 319.748 2.199 0 40 DEAB Cc1nnc2n1CCN(C(=O)CCc1ccc([C@H]3C[C@@H]3C)o1)C2 69454036 HTMWIMMNFNDVOJ-FZMZJTMJSA-N 314.389 2.278 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)N2C[C@@H](C)Cc3ccccc32)c1C 71857438 PRUDNCFXRCPIFW-NSHDSACASA-N 311.385 2.236 0 40 DEAB CC(C)(C)Cc1nc2cc(NC(=O)Cn3cnnn3)ccc2o1 71889140 XIMJSQFVZVMWTI-UHFFFAOYSA-N 314.349 2.042 0 40 DEAB O=C(Nc1nnn[nH]1)c1ccc(-c2ccc(F)cc2)cc1F 71879987 FJHMCUGSVUSGPF-UHFFFAOYSA-N 301.256 2.397 0 40 DEAB CN(C)Cc1cccc(CCNC(=O)Cc2cccc(O)c2)c1 71910816 XSVBHKAMKSGUGK-UHFFFAOYSA-N 312.413 2.355 0 40 DEAB Cc1oc(-c2ccsc2)nc1CC(=O)NCCCCC(N)=O 95458808 FDHYDLHXWGTSLQ-UHFFFAOYSA-N 321.402 2.026 0 40 DEAB Cc1ocnc1C(=O)N(CC(=O)O)Cc1ccccc1Cl 97039177 UGOURGRLDJDFOW-UHFFFAOYSA-N 308.721 2.363 0 40 DEAB Cn1cc([C@](C)(O)CN[C@H]2CCCc3cc(F)ccc32)cn1 97033362 VHVUXDXJKBVCRA-DLBZAZTESA-N 303.381 2.434 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](CCO)C(C)(C)C)C1 95940725 CEXUGJJANOSHRN-CHWSQXEVSA-N 300.443 2.383 0 40 DEAB CCc1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c[nH]1 89279892 LZXHZQHWFIJNCI-UHFFFAOYSA-N 314.389 2.057 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCN(C)C[C@@H]3C)c12 89567414 FWAFCARFJFSCSX-JTQLQIEISA-N 314.389 2.185 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@@H]3C)C2)c(=O)[nH]1 75124152 CBNMTSPKHMYBJB-KKUMJFAQSA-N 317.433 2.161 0 40 DEAB CC(C)COc1ccc([C@@H](C)NC(=O)[C@H]2CN(C)CCO2)cc1 89840305 IWCMSGGYOKLAAZ-RHSMWYFYSA-N 320.433 2.229 0 40 DEAB C[C@H](NC(=O)[C@@H](C)N(C)CC1(O)CCCC1)c1ccccc1 89905492 FAHXYRCMURWCTB-LSDHHAIUSA-N 304.434 2.489 0 40 DEAB Cc1ccc(NC(=O)NCC(=O)N(C)CC(F)(F)F)cc1 76068636 KGQVRXLJGOWMRZ-UHFFFAOYSA-N 303.284 2.137 0 40 DEAB Cc1c(CN2CCOC[C@@H]2CC(=O)c2cccs2)cnn1C 119589174 DSGHNJJASKULOV-AWEZNQCLSA-N 319.430 2.264 0 40 DEAB Cc1nc2n(n1)[C@@H](CC(=O)Nc1ccc(C)c(Cl)c1)C(=O)N2 20728258 ARCXOKOBWCIPOS-NSHDSACASA-N 319.752 2.070 0 40 DEAB O=C(NCc1cccc(O)n1)c1c[nH]nc1-c1ccccc1F 540794282 LNICGQKTJBKITE-UHFFFAOYSA-N 312.304 2.246 0 40 DEAB CN(C)C(=O)c1ccc(CNc2nnc(CC3CCCC3)o2)[nH]1 181809283 ZKXGJVLMUYOCMA-UHFFFAOYSA-N 317.393 2.444 0 40 DEAB CC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217571139 WWDAFIZIYJGFLZ-SECBINFHSA-N 312.391 2.036 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 41122153 WJQXJTZFTUTWAZ-LBPRGKRZSA-N 319.336 2.302 0 40 DEAB Cc1cc(C)n(-c2ccc(NCCCc3cnn(C)c3)nn2)n1 77962573 YNSGNXJNWBNZSM-UHFFFAOYSA-N 311.393 2.057 0 40 DEAB C[C@@H](Cn1cccn1)OC(=O)c1cccc(N2CCCC2=O)c1 83793567 DCHFHLXCHINWDK-ZDUSSCGKSA-N 313.357 2.255 0 40 DEAB CC(C)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 138909000 FTNFZRYMIMXYDD-CHWSQXEVSA-N 310.444 2.464 0 40 DEAB COC(=O)[C@@H]1CCC[C@@H]1NCc1ccc(Br)o1 225396760 DFXWYUQMONTODO-ZJUUUORDSA-N 302.168 2.473 0 40 DEAB COc1cnc(O[C@@H]2CCN(Cc3cc(F)cc(F)c3)C2)nc1 1204232830 TZYYLXZMCIBXLT-CQSZACIVSA-N 321.327 2.417 0 40 DEAB O=C(NCc1cnc2nccn2c1)c1sccc1OC(F)F 570420161 VNVKLFVRAWZETC-UHFFFAOYSA-N 324.312 2.322 0 40 DEAB Cn1cc2c(n1)CCC[C@@H]2NCCNc1ccc2ccccc2n1 571587770 VRDWBQOIYHACNF-KRWDZBQOSA-N 321.428 3.047 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)NC[C@@H]1COc2ccccc2O1 44816476 PDDSPVLCTXSIIF-UKRRQHHQSA-N 313.353 2.410 0 40 DEAB COCCNC(=S)Nc1cc(C)c(Br)cn1 223885116 VEBFCCULQKRDIT-UHFFFAOYSA-N 304.213 2.085 0 40 DEAB Cc1ccsc1CN1C[C@@H]2C[C@@H](CC(=O)N(C)C)O[C@@H]2C1 96220476 LTUBUTLEHIMGBK-MELADBBJSA-N 308.447 2.124 0 40 DEAB O=C(C1CC1)N1CCC2(CC1)C[C@@H](OCc1ccccn1)CO2 96106924 DTGRXDREDNMLFW-MRXNPFEDSA-N 316.401 2.158 0 40 DEAB CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@H]1O 96420323 PUMMYBGNNRDTAV-XJKSGUPXSA-N 318.417 2.416 0 40 DEAB Cc1nscc1C(=O)N(CCN(C)C)Cc1ccncc1 97237465 SMGZUACNVMQDBD-UHFFFAOYSA-N 304.419 2.051 0 40 DEAB CCn1ncc2c1CN(C(=O)c1cc(C)oc1C)C[C@H]2COC 96044580 VHDSBXKYBNWHIF-ZDUSSCGKSA-N 317.389 2.499 0 40 DEAB O=C1CCc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2N1 96191696 VDXNAWZSCMHEQV-STQMWFEESA-N 316.357 2.401 0 40 DEAB C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccnc1 96475189 IWQVDUOOTQTISV-CZUORRHYSA-N 312.373 2.401 0 40 DEAB c1cnc(Sc2nnc([C@H]3CCCNC3)n2C2CC2)nc1 96410274 DQEPFRKQAKGWJT-JTQLQIEISA-N 302.407 2.021 0 40 DEAB C[C@@H]1CN=C(N2CCN(C(=O)Cc3ccccc3F)CC2)S1 96426949 GLWXCNZTLNPDJJ-GFCCVEGCSA-N 321.421 2.004 0 40 DEAB Cc1nccc([C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)n1 257246988 IWVYZTIAMSQZEU-AWEZNQCLSA-N 313.405 2.074 0 40 DEAB COc1ccc(F)cc1C(=O)N1CC[C@@H](c2nc(C)c[nH]2)C1 257254381 KCUWTBQCDRMOND-LLVKDONJSA-N 303.337 2.496 0 40 DEAB CO[C@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)CC[C@@]12CCCO2 257244948 INKYJWYTBSCFMV-YOEHRIQHSA-N 321.421 2.117 0 40 DEAB CC(C)(CCc1ccccc1)NC(=O)c1cnc(C(=O)O)cn1 263553984 XYKKDFISKSQXSW-UHFFFAOYSA-N 313.357 2.316 0 40 DEAB c1cnc(N2CCc3onc(COc4cccnc4)c3C2)nc1 96085121 JQZHPGINNKOIMG-UHFFFAOYSA-N 309.329 2.001 0 40 DEAB CO[C@@](C)(CNS(=O)(=O)c1cccnc1)c1ccccc1F 96123566 NDJVEIUEFGXCQN-HNNXBMFYSA-N 324.377 2.061 0 40 DEAB CN([C@@H]1CCN(C2CC2)C1)S(=O)(=O)c1cccc2ccoc12 562714874 XIEFEQUTBSDVKH-CQSZACIVSA-N 320.414 2.290 0 40 DEAB CCN(CC)CCCNC(=O)c1nn(C2CCCC2)cc1N 685936350 RYMSOQBVGVJJKO-UHFFFAOYSA-N 307.442 2.042 0 40 DEAB C1CN(Cc2nc(C34CC5CC(CC(C5)C3)C4)no2)CCO1 36743680 XNRYZMIXTCVJKG-UHFFFAOYSA-N 303.406 2.370 0 40 DEAB CN1C(=O)CC[C@H]1c1nc(CNC2CCC(F)(F)CC2)no1 1775964065 PZPSKTVFKLBNFL-JTQLQIEISA-N 314.336 2.030 0 40 DEAB biogenic,in-vitro C[C@H]1CNCC[C@@]1(O)Cc1c(F)cccc1Br 1083806368 ODFSYEGEWAJFSR-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB O=C(NCCCCn1ccccc1=O)N1C[C@H]2CC=CC[C@H]2C1 74266590 RWNSJDYNTYEEGO-IYBDPMFKSA-N 315.417 2.236 0 40 DEAB CSCC[C@](C)(O)CNC(=O)NCc1ccc(F)cc1 75157682 DYGOKSMDXOPFCW-AWEZNQCLSA-N 300.399 2.129 0 40 DEAB Cc1cccc(CNc2cnn(CCN3CCOCC3)c2)c1C 95445308 WOTOIUMRABDTDM-UHFFFAOYSA-N 314.433 2.444 0 40 DEAB Cc1nc(C)c([C@@H](C)N(C)S(=O)(=O)N2CCCCC2)s1 106897275 CRQCZDLMRLVPNZ-LLVKDONJSA-N 317.480 2.483 0 40 DEAB Cc1cc(C(=O)NCc2ccc(N3CCOCC3)nc2)c(C)o1 11153268 ZYHSMIYYZWOAPV-UHFFFAOYSA-N 315.373 2.058 0 40 DEAB CC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)CC 13583949 AQBNJKWGCBSTOC-LBPRGKRZSA-N 324.446 2.317 0 40 DEAB Cn1nc2nnc(-c3cccs3)c(-c3cccs3)n2c1=O 19288536 KINMNVZKZJPFDV-UHFFFAOYSA-N 315.383 2.280 0 40 DEAB CCCc1nnc(SCc2ccc(C(=O)OC)cc2)n1N 5183030 CNIJYAFWAGIQCL-UHFFFAOYSA-N 306.391 2.023 0 40 DEAB C[C@@H]1C(=O)NCCCN1C(=O)c1cccc(C(F)F)c1F 529139681 XWHPDEFRERGICM-MRVPVSSYSA-N 300.280 2.114 0 40 DEAB O=C(NC1CN(c2ccccn2)C1)c1nc2ccccc2s1 1888890754 ZGZLOOFCJAOHKS-UHFFFAOYSA-N 310.382 2.310 0 40 DEAB Cc1cnccc1OCC1CCN(Cc2nnc(C)n2C)CC1 1889089381 TYDFJNCFKGQURX-UHFFFAOYSA-N 315.421 2.118 0 40 DEAB CN1C[C@]2(CCN(Cc3ccccc3Cl)C2)COCC1=O 2037983746 DMOAEKRHOJDIBV-INIZCTEOSA-N 308.809 2.021 0 40 DEAB O=C(c1cnco1)N1CC[C@H]2C[C@@]21C(=O)Nc1cccc(F)c1 2056225034 WROAOUKWGBWVKV-QFYYESIMSA-N 315.304 2.057 0 40 DEAB COc1cc(C(=O)N2CCCCCC2=O)cc(OC)c1OC 8767058 GXGRFFPBPIASJF-UHFFFAOYSA-N 307.346 2.255 0 40 DEAB O=C(c1cc2ccccn2c1)N1CC[C@H](Oc2cccnn2)C1 225415447 PIRYFLAPQYUOIY-HNNXBMFYSA-N 308.341 2.023 0 40 DEAB Cc1cc(CCC(=O)NCCOCCn2cccn2)ccc1F 575619164 IALOCKNJBXGOIM-UHFFFAOYSA-N 319.380 2.096 0 40 DEAB CNc1snc(C)c1C(=O)NCCCN1CCC[C@H](C)C1 40108839 BBNOGNRRICNNQM-NSHDSACASA-N 310.467 2.345 0 40 DEAB O=C(NCCOc1ccccc1)NCc1ccc2c(c1)OCO2 31045880 JNZVCZIFBKORPD-UHFFFAOYSA-N 314.341 2.294 0 40 DEAB NC(=O)COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 31040654 AZRNEZHVLVWCKZ-GOSISDBHSA-N 324.380 2.432 0 40 DEAB COc1ccc(OC)c2c1CN(C(=O)NC1CCCC1)C[C@@H]2O 31023748 KBYRQJWUBGMOCR-ZDUSSCGKSA-N 320.389 2.205 0 40 DEAB COc1ccccc1CC(=O)NC[C@H](O)c1ccc(F)cc1F 31313443 QPVACFHUZXDLNC-HNNXBMFYSA-N 321.323 2.366 0 40 DEAB Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)[nH]c2c1C(=O)CCC2 22018062 LHNVNSWYFYGXPG-UHFFFAOYSA-N 324.340 2.264 0 40 DEAB CN(C)C(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O 12137032 JMCQQFCFHBVJTN-UHFFFAOYSA-N 312.325 2.339 0 40 DEAB CN[C@@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 53202635 DOGYXNPMAKQCNX-SNVBAGLBSA-N 315.186 2.412 0 40 DEAB CC1CCC(NC(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 103465839 NAFCYFZROUFKRP-FWJBWGTRSA-N 320.433 2.245 0 40 DEAB O=C(NCCc1cccs1)N1CCN(c2nccs2)CC1 22390082 FUVPMQHJWCDDEA-UHFFFAOYSA-N 322.459 2.279 0 40 DEAB CS[C@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 78869012 AXGIFRUVYYIGHB-BXKDBHETSA-N 312.822 2.313 0 40 DEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C(C)C)c1 23148389 BYRLYGFYWJALDD-VIFPVBQESA-N 319.810 2.449 0 40 DEAB CC(C)CO[C@H](C)C(=O)NCc1ccc(N2CCCC2)nc1 42497912 TVKZYNKXMYDFAV-CQSZACIVSA-N 305.422 2.359 0 40 DEAB COCCC(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1ccc(OC)cc1 100113339 UNQARWIBHTUWRD-GRDNDAEWSA-N 319.401 2.490 0 40 DEAB C[C@@H](Sc1nncn1C)C(=O)N[C@H]1CCc2c(F)cccc21 56323472 CTXOFNKHUZQNLK-RNCFNFMXSA-N 320.393 2.239 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2F)C1 3210079 VBMOQOKLWKRBSI-GFCCVEGCSA-N 309.337 2.006 0 40 DEAB CCCNC(=O)CNC(=O)C[C@@H]1CCCc2cc(OC)ccc21 57039996 JCIPYWSSSFDPJZ-AWEZNQCLSA-N 318.417 2.148 0 40 DEAB O=C(NCCc1cccnc1)N1CCN(c2ccccc2)CC1 26313019 SGCFTZLSFYNSHX-UHFFFAOYSA-N 310.401 2.156 0 40 DEAB CN(C)[C@H](CNc1nnnn1-c1ccccc1)c1ccsc1 26720107 LIXUWJHIJWZXDH-CQSZACIVSA-N 314.418 2.439 0 40 DEAB CN(C)c1nccc(N2CCN(Cc3cccc(F)c3)CC2)n1 134170566 BQTUJLOPOHSLPF-UHFFFAOYSA-N 315.396 2.004 0 40 DEAB COc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100395174 QNIQQQCVACZBLR-KPLDXPABSA-N 324.380 2.118 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(Br)c[nH]2)CC(C)(C)O1 44479154 AGRXJGUPSJOGFD-MRVPVSSYSA-N 301.184 2.417 0 40 DEAB Cc1ccc(CCC(=O)N2CCC(C(N)=O)CC2)cc1Cl 27064964 GIDYYPJRBQMXOB-UHFFFAOYSA-N 308.809 2.305 0 40 DEAB O=C(CCOCC(F)(F)F)Nc1cccc(-c2nc[nH]n2)c1 72284882 BPZAICNNGKNQJA-UHFFFAOYSA-N 314.267 2.379 0 40 DEAB CCn1nccc1CNC(=O)Nc1cc(OC)ccc1OC 28219484 KKXIAMKQEQZTFH-UHFFFAOYSA-N 304.350 2.242 0 40 DEAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)no1)C(=O)N(C)C 58229061 NIEFUFWXJRRKGH-VIFPVBQESA-N 321.764 2.202 0 40 DEAB CN(C(=O)c1ccccc1NS(C)(=O)=O)c1ccc(F)cc1 58293016 GRGZRAJOXYFJFM-UHFFFAOYSA-N 322.361 2.474 0 40 DEAB CC(C)CN(CC(C)C)C(=O)c1cnc2ccccn2c1=O 84544206 SYXLORFBMZJQGS-UHFFFAOYSA-N 301.390 2.449 0 40 DEAB COC(=O)CCCN(C)C(=O)/C=C/c1ccc(OC)c(F)c1 58356329 GMTAVXRARYNNMQ-VQHVLOKHSA-N 309.337 2.259 0 40 DEAB COc1cc(C)c(S(=O)(=O)N2CCCSCC2)cc1C 58407653 GWYJMRSOCICRSF-UHFFFAOYSA-N 315.460 2.440 0 40 DEAB CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)CCc1ccccc1)CCO2 107720454 RHHQLYWJCSOGHN-NUJGCVRESA-N 303.402 2.414 0 40 DEAB COc1ccc(C(=O)COC(=O)c2ccccc2O)c(OC)c1 3340160 VOAFYNMUKWEOJY-UHFFFAOYSA-N 316.309 2.449 0 40 DEAB CN(C)c1ccccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 46216447 MIBONGZCYGYODY-BBRMVZONSA-N 319.430 2.145 0 40 DEAB c1ccc(OCCN2CCN(CCc3ccncc3)CC2)cc1 60463068 OHEUMSBVKPARRO-UHFFFAOYSA-N 311.429 2.321 0 40 DEAB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc[nH]n1 48302913 FTIWVFHFRAXPLO-HNNXBMFYSA-N 313.357 2.320 0 40 DEAB CCOc1ccc(C(C)=O)cc1COC(=O)C1=COCCO1 2640160 XGTKQZBXEACZSX-UHFFFAOYSA-N 306.314 2.219 0 40 DEAB Cc1cccc(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)n1 13022950 OFROSSXEKWLTHR-UHFFFAOYSA-N 323.352 2.291 0 40 DEAB Cc1nc(C)c(CCC(=O)Nc2ccc(F)cc2C)c(=O)[nH]1 13005922 BUMLRBSUEBLCMW-UHFFFAOYSA-N 303.337 2.406 0 40 DEAB CCn1nnnc1S[C@@H](C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9053465 JKFUOXRCEWGZFA-JTQLQIEISA-N 321.406 2.204 0 40 DEAB Cc1[nH]ncc1C(=O)N1CCCN(Cc2ccc(F)cc2)CC1 63722135 VKMOAHZVYBLELG-UHFFFAOYSA-N 316.380 2.205 0 40 DEAB O=C(NCc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2ncccc12 97106990 VRBIXLBZEPNECB-UHFFFAOYSA-N 318.336 2.334 0 40 DEAB CN(C)S(=O)(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 4249137 NZBVKJCMAJMRPU-UHFFFAOYSA-N 322.415 2.281 0 40 DEAB Cc1ccc(OCCCNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)cc1 65562618 FIXRRDIVLPXEFU-GOEBONIOSA-N 318.417 2.042 0 40 DEAB Cc1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c(O)c1 14137433 WXFJLRCRHQOOQA-UHFFFAOYSA-N 319.382 2.498 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3nc(C(C)(C)C)cs3)nn12 14793979 LRBXXAIKPVAAOJ-UHFFFAOYSA-N 316.390 2.439 0 40 DEAB CS(=O)(=O)N1CCc2cc(C(=O)NC3CCCCC3)ccc21 6766222 FJZRLRIGHPWHPU-UHFFFAOYSA-N 322.430 2.071 0 40 DEAB C[C@]12CC[C@H]3[C@@H](C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 64447748 FRPCYGNWEDESDG-LYVQZGCSSA-N 322.445 2.045 0 40 DEAB C[C@@H](NCc1ncc[nH]1)c1cc(F)ccc1N1CCN(C)CC1 66593998 NJGJTUSERZZHDE-CYBMUJFWSA-N 317.412 2.151 0 40 DEAB COc1cc(C(=O)Nc2ncc(C)s2)cc2c1OCCO2 9364810 RMJQPDSBJSITTO-UHFFFAOYSA-N 306.343 2.484 0 40 DEAB COC(=O)C[C@H]1CN(c2nc3ccccc3cc2C)CCO1 95426312 QZZMRRSRTKXXIR-AWEZNQCLSA-N 300.358 2.312 0 40 DEAB CC[C@@H]1CN(C(=O)NCc2ccnc(OCC3CC3)c2)CCO1 67481289 PHQXXDIVIGBIDV-OAHLLOKOSA-N 319.405 2.191 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc2[nH]cnc2c1 9466457 BXUWMPVCKNTWRW-UHFFFAOYSA-N 323.352 2.307 0 40 DEAB C[C@H]1CN(C(=O)NCc2cnn(C)c2)C[C@@H](c2ccccc2)O1 67605873 FNQBFMFERNPSGW-BBRMVZONSA-N 314.389 2.092 0 40 DEAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 96406670 ZQTBTZVLUHAHEA-UHFFFAOYSA-N 322.430 2.016 0 40 DEAB c1ccc(-n2ncc3c(N4CC[C@@]5(CCOC5)C4)ncnc32)cc1 95410705 QJKPFGJHFDEYBN-GOSISDBHSA-N 321.384 2.432 0 40 DEAB CCC(=O)NCc1cc(Br)c(OC)c(OC)c1 71850265 FSRSJDBUILALCB-UHFFFAOYSA-N 302.168 2.493 0 40 DEAB CC(C)NC(=O)CCNC(=O)NCC[C@@H](C)c1ccccc1 69347526 DGOPBTFHPJQETC-CQSZACIVSA-N 305.422 2.394 0 40 DEAB CN1CCO[C@@H](CNCc2ccc(OC(F)(F)F)cc2)C1 69351427 PXFHRKMDJHCHHF-ZDUSSCGKSA-N 304.312 2.005 0 40 DEAB CN(Cc1coc(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 69367883 RSLQBUQBBHFWRI-AWEZNQCLSA-N 324.377 2.100 0 40 DEAB Cc1ccc(N2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)nn1 69493068 ZUQFBSYBAHRICA-OAHLLOKOSA-N 300.406 2.180 0 40 DEAB CCN(CC)CCn1cc(NC(=O)/C=C/c2nccs2)cn1 69487962 IJFHGAAQNFIBIQ-AATRIKPKSA-N 319.434 2.333 0 40 DEAB CCCN1CCCC[C@H]1C(=O)Nc1ccc2oc(=O)[nH]c2c1 69446777 PGNGCPRRZCVMIN-ZDUSSCGKSA-N 303.362 2.324 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCc2nc(-c3cccnc3)no2)c1 69453362 XOXQQIWZXFVZAV-QWHCGFSZSA-N 312.377 2.376 0 40 DEAB CC(C)CCOCCNC(=O)Nc1ccc(F)c(C(N)=O)c1 69414006 AXPKSGBASFMUID-UHFFFAOYSA-N 311.357 2.109 0 40 DEAB CN(C(=O)CCNC(=O)OCC(F)(F)F)c1ccccc1F 69616648 VWDLEMZACIVVLG-UHFFFAOYSA-N 322.258 2.467 0 40 DEAB COCCN1CCN(Cc2nc(-c3ccsc3)oc2C)CC1 69740027 XNRPUPGXYDGAIJ-UHFFFAOYSA-N 321.446 2.476 0 40 DEAB CC[C@@H]1C[C@H]1NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 71908195 FRWKHTWIYDELLQ-CZUORRHYSA-N 313.401 2.318 0 40 DEAB O=C(NCc1ncc[nH]1)c1c[nH]nc1-c1cccc(Cl)c1 87353034 RTMJQXMBUFLBHO-UHFFFAOYSA-N 301.737 2.383 0 40 DEAB Cc1cccc(CS(=O)(=O)Cc2nsc(N(C)C)n2)c1 97080239 PDZGZSABRPDZIS-UHFFFAOYSA-N 311.432 2.028 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)COCC1CC1 72234208 ODZSFPUNELNSOG-GFCCVEGCSA-N 311.813 2.472 0 40 DEAB CC1(C)CN(C(=O)[C@H]2CSc3ccccc32)CC[S@@]1=O 88206196 WYNNRSGQXMOFDV-FKIZINRSSA-N 309.456 2.245 0 40 DEAB COCc1nn(Cc2ccccc2Oc2cccnc2)c(=O)o1 95990887 AELSZHVKVMHLLS-UHFFFAOYSA-N 313.313 2.218 0 40 DEAB COc1ccc(CN(C)C(=O)[C@H]2CCCN(C(C)=O)C2)cc1F 95952850 XILOOLQPWONGRB-AWEZNQCLSA-N 322.380 2.051 0 40 DEAB OCC(CO)N[C@H]1CCCc2cc(SC(F)F)ccc21 95985045 WFNKEPUXDGVVDS-ZDUSSCGKSA-N 303.374 2.322 0 40 DEAB Cc1cc(S(=O)(=O)NC(=O)c2cc(F)ccc2F)c(C)o1 95989282 VAPJSPVJDYLSGU-UHFFFAOYSA-N 315.297 2.293 0 40 DEAB CC(C)C[C@H](C)NC(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 95997841 PGALRICATFWFMU-BPNCWPANSA-N 322.430 2.241 0 40 DEAB CCn1cc(C2CCN(c3ncnc4nc(N)ccc34)CC2)cn1 89306018 IQGSMRNRBAVTQC-UHFFFAOYSA-N 323.404 2.207 0 40 DEAB CC(C)(CO)CCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1 86407051 OYVBPHGMRCRQLI-CYBMUJFWSA-N 308.426 2.097 0 40 DEAB CC(C)NC(=O)CCNC(=O)N[C@H]1C[C@@H]1c1ccc(Cl)cc1 89885220 TZHKHCFMQSXVJU-KGLIPLIRSA-N 323.824 2.410 0 40 DEAB COCC(=O)N1CCC(Nc2ccnc3cc(F)ccc23)CC1 75611422 OJRJMNIVIAKRBR-UHFFFAOYSA-N 317.364 2.423 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)no1 76046368 QNHSTCGFKJVNAP-OAHLLOKOSA-N 314.389 2.417 0 40 DEAB OCCN(CCO)Cc1ccc(COc2ccccc2)cc1 68606167 FHYGBXUQAQMKII-UHFFFAOYSA-N 301.386 2.052 0 40 DEAB CN(Cc1ncc[nH]1)C(=O)C1(Cc2ccccc2)CCOCC1 514910315 IIQFGGWYBCTEJV-UHFFFAOYSA-N 313.401 2.408 0 40 DEAB CCN(C(=O)OC(C)(C)C)C1CCC(NCC(=O)O)CC1 79410616 KLPBZMFXLIOORL-UHFFFAOYSA-N 300.399 2.229 0 40 DEAB CC(C)c1nccn1-c1cccc([C@@H]2CCCN2CC(N)=O)n1 72379264 MKVBDWYOLKLPTH-AWEZNQCLSA-N 313.405 2.013 0 40 DEAB Cc1cccc(-c2cc(CNC[C@@H]3CCCO3)c3nnnn3c2)c1 72392683 NFGJGANBIMNZLG-KRWDZBQOSA-N 323.400 2.368 0 40 DEAB COc1ccccc1NCC(=O)N[C@@H](C)Cn1nc(C)cc1C 79043910 YLFCQXUHVASVCU-ZDUSSCGKSA-N 316.405 2.125 0 40 DEAB CCOc1cc(C(=O)NCCCOC)nn1-c1ccccc1 72264715 MHGAQVFGAPHMOI-UHFFFAOYSA-N 303.362 2.037 0 40 DEAB COC(=O)Nc1nc(Cc2nc(-c3ccccn3)no2)cs1 70637173 POETZPLVXQZDTJ-UHFFFAOYSA-N 317.330 2.357 0 40 DEAB CCS(=O)(=O)c1ccccc1N[C@H]1CCCC[C@H]1C(=O)NC 225521348 CKAPDRDRBRBDIX-OLZOCXBDSA-N 324.446 2.197 0 40 DEAB COc1ccc(S(=O)(=O)NCc2cccc(F)c2)cc1F 42159593 WPVCPTSCOXLEDG-UHFFFAOYSA-N 313.325 2.452 0 40 DEAB CC(=O)Nc1cc(C(=O)N2CCC(CC(=O)O)CC2)ccc1F 572430394 FZUKFDANZVBGBV-UHFFFAOYSA-N 322.336 2.111 0 40 DEAB CCOC(=O)[C@H]1CN(C(=O)c2ccccc2)C(C)(C)CC1=O 328578220 DLYXRNOHQQDJEZ-ZDUSSCGKSA-N 303.358 2.060 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CCNC2)c(O)c1 333853807 QNANDSWZDMVTSN-SWLSCSKDSA-N 304.390 2.005 0 40 DEAB O=C(c1ccncc1)N1CC[C@]2(CCCN(c3ncccn3)C2)C1 96158271 YHJMPWGJMJWYMQ-GOSISDBHSA-N 323.400 2.004 0 40 DEAB Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3CC3CCOCC3)O2)o1 97953587 SXBHEPMLEYJKJZ-KFWWJZLASA-N 307.394 2.099 0 40 DEAB CCO[C@@H]1C[C@H](N(C)CCS(=O)(=O)CC)C12CCCC2 96419747 KSORPEFEXMJUAM-UONOGXRCSA-N 303.468 2.091 0 40 DEAB CN(C(=O)C[C@H]1OCCc2ccccc21)C1CCS(=O)CC1 96446826 BEARLWZLKPZKTP-RPYGNYITSA-N 321.442 2.060 0 40 DEAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccoc3C)n2)cc1OC 95533820 UBOIVIDIIVEAKB-CQSZACIVSA-N 314.345 2.438 0 40 DEAB Cc1ccsc1C(=O)N1Cc2c(CN(C)C)nn(C)c2C1 96084449 BAJACRRLJVTQRW-UHFFFAOYSA-N 304.419 2.008 0 40 DEAB CN(C(=O)CCc1ccco1)[C@H]1CCCC[C@H]1S(C)(=O)=O 96422463 WPNIMFONJNIDIT-UONOGXRCSA-N 313.419 2.026 0 40 DEAB C[C@H](CNC(=O)N1CCO[C@@H]([C@@H]2CCCO2)C1)c1ccsc1 96461999 NKXJFKMIWWTUMS-VHDGCEQUSA-N 324.446 2.441 0 40 DEAB COC(=O)C[C@H](c1cccnc1)c1c(O)ccc2nsnc12 96231721 DWZZFIUUUVKONG-SNVBAGLBSA-N 315.354 2.487 0 40 DEAB COc1cc(F)c(NC(=O)N[C@H](CCO)C2CC2)cc1F 96466951 WBVLNQHUKJNPCZ-LLVKDONJSA-N 300.305 2.256 0 40 DEAB Cc1nnc(N2CC3(C[C@H](Oc4cccnc4)CCO3)C2)s1 248050041 WTSVMYKLIVBEOU-GFCCVEGCSA-N 318.402 2.058 0 40 DEAB c1coc(CN2CCOC[C@]3(CC[C@@H](CN4CCCC4)O3)C2)c1 253595512 FKQGPLZKGBJISZ-ROUUACIJSA-N 320.433 2.125 0 40 DEAB Cc1nccc([C@H]2CN(C(=O)c3ccc(C)s3)CCO2)n1 257260660 LDUOEZITLJXKTJ-CYBMUJFWSA-N 303.387 2.369 0 40 DEAB Oc1cc(C[C@@H]2COCCN(CC3CCCCC3)C2)ncn1 257300617 RVCAWCRJKCLSBH-HNNXBMFYSA-N 305.422 2.253 0 40 DEAB Cn1nc(CNCc2ccccc2C(=O)O)cc1C(F)(F)F 256051136 HWFUIGWYMDHGJZ-UHFFFAOYSA-N 313.279 2.427 0 40 DEAB CC(=O)N1CC(F)(F)C[C@]2(CCN(c3ccc(C)nc3)C2=O)C1 585093062 JWUQFLILMRGHCJ-OAHLLOKOSA-N 323.343 2.001 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)Cc2cccc(F)c2)nc1 69617099 YVKVGTWEISODLZ-UHFFFAOYSA-N 315.348 2.169 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]1c1ccsc1 46481583 PNOANPDKYXCNFW-HIFRSBDPSA-N 323.462 2.315 0 40 DEAB CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CC1 50076382 GUFYMFACQVFHQP-INIZCTEOSA-N 302.422 2.240 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3cccnc3)C2)nc1 1776000839 MODVGYOSFOTLAV-CQSZACIVSA-N 312.373 2.111 0 40 DEAB Fc1ccc(-c2noc([C@@H]3CNCC34CCOCC4)n2)cc1 85347737 DFJJAUZFTVOKOJ-ZDUSSCGKSA-N 303.337 2.359 0 40 DEAB O=C([C@@H]1CCOc2ccccc21)N1CC[C@@H](N2CCCC2)C1 76878354 QPLCMJONBIWLRK-GDBMZVCRSA-N 300.402 2.249 0 40 DEAB CCN(CC)CN1C(=O)C(=O)c2cc(Br)ccc21 19202036 LNPNNNZZOGKSHV-UHFFFAOYSA-N 311.179 2.278 0 40 DEAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C1CCCC1 12141871 LVTMNZZYIFRCDE-OAHLLOKOSA-N 313.401 2.482 0 40 DEAB CCCCS(=O)(=O)Nc1cnn(Cc2cccc(OC)c2)c1 14234885 VSEWRZMKECRFKN-UHFFFAOYSA-N 323.418 2.482 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(O)cc3)C2)cc1 15014034 GFJWAZATPQIJIM-HNNXBMFYSA-N 324.380 2.370 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)CCc2ccco2)C[C@@H](C)O1 21063935 RVWPNDSDBRVEPF-OKILXGFUSA-N 308.422 2.216 0 40 DEAB CC[C@@H](Sc1ccc2nnc(-c3ccccn3)n2n1)C(=O)O 4327434 NSSBXTVWEBYLEE-SNVBAGLBSA-N 315.358 2.142 0 40 DEAB CCc1nnc(NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)s1 40088061 KEIVQNSICOMKTH-NSHDSACASA-N 320.349 2.371 0 40 DEAB CC1=CS(=O)(=O)c2ccc(I)cc21 339175 KNYSUHHQOPXBLR-UHFFFAOYSA-N 306.124 2.439 0 40 DEAB O=C(c1ccc(F)cc1)N1CCN(CCc2ccccn2)CC1 21786907 KFHZBTZIHVCJLH-UHFFFAOYSA-N 313.376 2.221 0 40 DEAB Cc1nc(C2(NS(=O)(=O)Cc3ccccc3)CCCC2)no1 41628973 SFPWINHXAQQZRR-UHFFFAOYSA-N 321.402 2.267 0 40 DEAB CCOC(=O)N1CCN(C(=O)CSc2ccccc2)CC1 37727 FLGVDJSZZYYMFE-UHFFFAOYSA-N 308.403 2.079 0 40 DEAB Cc1ccc(C)c(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c1 195889 DQRKPBKMOORANT-OAHLLOKOSA-N 316.357 2.468 0 40 DEAB Cn1nc(C(F)(F)F)cc1C(=O)Nc1nnc(C2CC2)s1 2774879 DKAAQSXLOIVKDR-UHFFFAOYSA-N 317.296 2.420 0 40 DEAB CN(CCC(=O)c1ccc(Br)cc1)CC(=O)O 2021311 BLGTZFFBZAVEEA-UHFFFAOYSA-N 300.152 2.038 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)[C@H](C)NC(=O)Nc1ccccc1 53429390 LTZBIFKYQCSMCC-ZFWWWQNUSA-N 319.405 2.224 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)c1ccc(F)cc1 22480558 UIARVHNWGWZSNA-UHFFFAOYSA-N 303.289 2.363 0 40 DEAB O=C1COc2cc(C(=O)N(Cc3ccncc3)C3CC3)ccc2N1 47630971 GWFMPAONYKMAAR-UHFFFAOYSA-N 323.352 2.217 0 40 DEAB CCNC(=O)NC1CCN(Cc2ccc(OC)c(F)c2)CC1 55329554 SPHONFYLMMUECN-UHFFFAOYSA-N 309.385 2.118 0 40 DEAB Oc1cccc(N2CCN(C(=S)NC3CCCC3)CC2)c1 1460383 PTHVAZRBJXUEBY-UHFFFAOYSA-N 305.447 2.331 0 40 DEAB COC(=O)[C@@]1(C)[C@@H]2C=C[C@H]3C2C2[C@H]1C=C[C@H]2[C@]3(C)C(=O)OC 104286912 TVORUACKVGFVBB-ZMHNUBEXSA-N 302.370 2.209 0 40 DEAB CCCc1n[nH]c([C@@H]2CN([C@H](C)c3cccnc3)CCO2)n1 107323063 IWOHUXUZAKDFIO-OCCSQVGLSA-N 301.394 2.287 0 40 DEAB CN(Cc1ccncc1)[C@@H]1CCC[C@@H]2CN([C@H]3CCOC3)C[C@@H]21 107197516 QSSNFRSHMCKRHT-YDZRNGNQSA-N 315.461 2.403 0 40 DEAB C[C@H]1CN(CC(=O)N[C@H](C)CCc2ccccc2)C[C@H](C)O1 12641638 CCQVIRHTMUKVMJ-PMPSAXMXSA-N 304.434 2.233 0 40 DEAB CC(C)OCCCNC(=O)Cc1cnn(-c2ccccc2)c1 44896992 VKTZAGYTBHNVJY-UHFFFAOYSA-N 301.390 2.346 0 40 DEAB COC(=O)c1cc(Cn2cnc3ccc(C)cc3c2=O)c(C)o1 58283617 CBBFPGSQEIAZHM-UHFFFAOYSA-N 312.325 2.441 0 40 DEAB COC(=O)c1ccc(C)c(OCC(=O)NCc2ccco2)c1 44907311 RRYJRAFPZLTXCV-UHFFFAOYSA-N 303.314 2.070 0 40 DEAB Cc1ccc([C@H](CNC[C@@H]2CNc3ccnn3C2)N(C)C)cc1 58304916 REPRLXGMSDSSGS-WBVHZDCISA-N 313.449 2.126 0 40 DEAB Cc1nnc(SCCn2cncn2)n1Cc1ccccc1 58325410 GDCGSMDEHLVBGJ-UHFFFAOYSA-N 300.391 2.019 0 40 DEAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1cccs1 28037594 RUSFYJWYQIHQBC-UHFFFAOYSA-N 307.400 2.445 0 40 DEAB O=C(COC(=O)c1c(F)cccc1F)NCc1cccs1 3363434 FZHACUJMFFNSKV-UHFFFAOYSA-N 311.309 2.500 0 40 DEAB Cc1cc(=O)n2nc(N[C@H](C)CCc3ccco3)sc2n1 48340048 NUFYHOJCSHWRFE-SECBINFHSA-N 304.375 2.486 0 40 DEAB O=C(CCc1cccnc1)Nc1cc(C(F)(F)F)c[nH]c1=O 45838562 BTUBQTILVSMPSI-UHFFFAOYSA-N 311.263 2.360 0 40 DEAB COc1ccc(CNC(=O)[C@H](C)OC(=O)c2ccoc2C)cc1 12847031 GADFKVWRXIPITC-LBPRGKRZSA-N 317.341 2.458 0 40 DEAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC(C)(C)C 3450290 MVONLUVDWDQZEL-UHFFFAOYSA-N 314.769 2.002 0 40 DEAB CCCn1c(S[C@H]2CCOC2=O)nc2ccccc2c1=O 12973966 IVULDHYHCGKRPE-LBPRGKRZSA-N 304.371 2.214 0 40 DEAB Cc1[nH]cc(C(=O)N(C)CCC2CC2)c(=O)c1Br 96500658 CPIKUUVQKWNPDO-UHFFFAOYSA-N 313.195 2.318 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CCN2CCSC2=O)cc1 12928259 HBTXUDXVHAFBHZ-UHFFFAOYSA-N 307.375 2.142 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)s1 28226144 VVKWNOIWDADVNL-UWVGGRQHSA-N 324.402 2.239 0 40 DEAB CCNC(=O)NCC1CCN(Cc2ccc(OC)cc2)CC1 63399146 AZCSFIPGAJWVOV-UHFFFAOYSA-N 305.422 2.226 0 40 DEAB CN(C)c1ccc(Cl)cc1NC(=O)NCc1cnn(C)c1 71915060 PDFBBADXOMOZDJ-UHFFFAOYSA-N 307.785 2.461 0 40 DEAB O=C1CCC(C(=O)Nc2ccccc2Cc2ccccc2)=NN1 6083955 GIBWKNQCFHTJQF-UHFFFAOYSA-N 307.353 2.482 0 40 DEAB COC(=O)CCCCCNC(=O)Nc1ccc2c(c1)OCCO2 5069131 CFHUCMXZZLVEEK-UHFFFAOYSA-N 322.361 2.313 0 40 DEAB CC(C)[C@H](N)C(=O)NC[C@@H]1CCCCN1Cc1ccccc1 79404622 ZKMFFZAVIGRELK-IRXDYDNUSA-N 303.450 2.141 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N)cc1 6121221 IARPLGUWHYLVFO-LLVKDONJSA-N 314.341 2.461 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)Nc1ccccc1C(=O)OC)C(=O)OC 6224213 VYMJKAQJYDJFOV-ZWNOBZJWSA-N 322.361 2.182 0 40 DEAB CCOC(=O)[C@@H]1CCCN(c2nc3ccsc3c(=O)s2)C1 71328594 JBOHIOBCUWNWNM-SECBINFHSA-N 324.427 2.498 0 40 DEAB O=C(NC1CC1)c1cc(F)ccc1I 65522899 KWSMMFRCVZFXDU-UHFFFAOYSA-N 305.090 2.323 0 40 DEAB CC(C)[C@@H](C)NC(=O)NCCCS(=O)(=O)c1ccccc1 65593936 GPPNCEWPXRAFOW-CYBMUJFWSA-N 312.435 2.194 0 40 DEAB COc1cccc(C(=O)OCC(=O)NCc2cccs2)c1 6486700 UBFZIQNMOGPKFE-UHFFFAOYSA-N 305.355 2.230 0 40 DEAB C(=C/c1nn2c(-c3cnccn3)nnc2s1)\c1cccnc1 4710639 GQIQAWYSGCCBJO-ONEGZZNKSA-N 307.342 2.208 0 40 DEAB CNC(=S)N(C)CC(=O)Nc1c(Cl)cccc1Cl 6940825 ASKZFWXIOYYIAT-UHFFFAOYSA-N 306.218 2.368 0 40 DEAB Cc1cc(C)cc(NC(=S)N(C)[C@H]2CCS(=O)(=O)C2)c1 7367956 ZJIHRQZGICUXNW-ZDUSSCGKSA-N 312.460 2.119 0 40 DEAB CC(C)(C)n1nc(C2CC2)cc1C(=O)N[C@H]1CCN(C2CC2)C1 67863317 HFYAMMSKDROSFJ-ZDUSSCGKSA-N 316.449 2.482 0 40 DEAB CCCSCC(=O)Nc1cc(Br)c[nH]c1=O 67937862 MXYJPCLOFVVXOH-UHFFFAOYSA-N 305.197 2.219 0 40 DEAB C[C@@H](CC(=O)N(C)C)NCc1cccc(-c2cnn(C)c2)c1 90920183 OTPCGYKZJBVXLU-ZDUSSCGKSA-N 300.406 2.044 0 40 DEAB COCCn1ccc2cc(NC(=O)N3CCOCC3)ccc21 69220318 JTOYUHIHVGUGRD-UHFFFAOYSA-N 303.362 2.152 0 40 DEAB COc1cccc(N2C[C@@H](C(=O)N3CCC(C)CC3)CC2=O)c1 8247571 OVMGPSDDYYMIDG-AWEZNQCLSA-N 316.401 2.307 0 40 DEAB CC(=O)N1CCN(C(=O)C2(c3cccc(C)c3)CCCC2)CC1 69377333 IOZCGUBUSYIWEX-UHFFFAOYSA-N 314.429 2.498 0 40 DEAB c1ccc2sc(CN3CCO[C@@H](Cn4cccn4)C3)nc2c1 69392696 DCVMMLDZPBKPES-CYBMUJFWSA-N 314.414 2.394 0 40 DEAB CC(=O)NCc1ccc(C(=O)COC(=O)c2ccccc2)s1 8325746 LBKPNASFBFUSOZ-UHFFFAOYSA-N 317.366 2.424 0 40 DEAB CN1CCCC[C@H]1C(=O)NC[C@@H](c1cccs1)N1CCCC1 69620000 GCMBYKVKSKHGDD-GJZGRUSLSA-N 321.490 2.486 0 40 DEAB O=C(CC1CC1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306136936 QHBKLVUSXYEAOY-HNNXBMFYSA-N 316.401 2.268 0 40 DEAB Cc1ccc2c(c1)nc(CCNc1ncnc3c1cnn3C)n2C 69974897 AHEGKKBMAVIXCW-UHFFFAOYSA-N 321.388 2.213 0 40 DEAB Clc1ccc(CSc2nnnn2C2CCOCC2)cn1 69976120 SIOSTLHIUFFUPV-UHFFFAOYSA-N 311.798 2.365 0 40 DEAB C[C@@H](CC(=O)N(C)C)N[C@H](C)c1ccc(-n2ccnc2)cc1 8706503 YQFXQFNEYLNEMA-UONOGXRCSA-N 300.406 2.390 0 40 DEAB C[C@@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CC(C)(C)O1 71831159 SARYIYGVXQRLNE-LLVKDONJSA-N 300.358 2.168 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)[S@](=O)Cc1cc(C)on1 71859232 NGUMONLEOZJIKB-SAHAZLINSA-N 322.386 2.268 0 40 DEAB Cc1ccc(CN(CCN(C)C)C(=O)c2cccnc2C)o1 84195422 AISZMVWPFRINHF-UHFFFAOYSA-N 301.390 2.495 0 40 DEAB O=C(CCn1ccc2ccccc21)N[C@@H]1CC[C@H](C(=O)O)C1 97039281 KELRSURPNUVYQS-UONOGXRCSA-N 300.358 2.401 0 40 DEAB CC[C@H](O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1 84733522 RCNJHLISVINYQS-KRWDZBQOSA-N 317.408 2.262 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)cc2OC)C[C@H]1C 94819446 RUCAYIFDJOEFDH-BXKDBHETSA-N 311.765 2.230 0 40 DEAB O=C(NCCCOCC(F)(F)F)N[C@@H]1CCC[C@H]2OCC[C@@H]12 98020305 JFCLUWJNIHQSFX-QJPTWQEYSA-N 324.343 2.212 0 40 DEAB Cc1ccc(NC(=O)COCC2CC2)c(OCCN(C)C)c1 75143161 NCCXSQTWUVGFMG-UHFFFAOYSA-N 306.406 2.301 0 40 DEAB CC(C)Cn1c(=O)nc2n1C(=O)N(c1ccc(Cl)cc1)C2 36358755 HHIFRSJYXRSUTF-UHFFFAOYSA-N 306.753 2.343 0 40 DEAB C[C@H](CC1CCCC1)C(=O)NCc1nnnn1-c1ccccc1 516886395 XXHFENZNDGSEBL-CYBMUJFWSA-N 313.405 2.495 0 40 DEAB COc1ccc(OC)c(NC(=O)CNC(=O)OC(C)(C)C)c1 33697354 CNGQCQAPUBGWAF-UHFFFAOYSA-N 310.350 2.167 0 40 DEAB Cn1c(O)nc2cc(C(=O)N3CC[C@H](c4ccncc4)C3)ccc21 520251398 BTLIFEUNUDBPPG-AWEZNQCLSA-N 322.368 2.304 0 40 DEAB OC[C@H]1CCC2(CCOCC2)CN1C[C@H](O)c1ccc(F)cc1 528642573 ZBNIEESOBZNONK-SJORKVTESA-N 323.408 2.113 0 40 DEAB O=C(CC1CCN(c2ncccn2)CC1)Nc1nccs1 72366450 NNIBNUPEDUWCGH-UHFFFAOYSA-N 303.391 2.178 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217557943 MIUGXIRDRUHLFC-VIFPVBQESA-N 312.391 2.036 0 40 DEAB C[C@@H](c1cccnc1)N(C(=O)COC[C@@H]1CCCO1)C1CC1 79092914 HULYSMSXUWPSJN-BBRMVZONSA-N 304.390 2.329 0 40 DEAB O=C(NC[C@@]1(O)C=CCCC1)c1ccc(C(F)(F)F)nc1 606440546 AHDVAMJXDOMAAJ-CYBMUJFWSA-N 300.280 2.301 0 40 DEAB COC(=O)c1cc(C)ccc1OC(=O)CCc1cnn(C)c1 78442915 AFBSRIYNUQUGOT-UHFFFAOYSA-N 302.330 2.053 0 40 DEAB CN(C)c1ncc(NC(=O)c2cccc(F)c2)c(N(C)C)n1 224348873 QZNPIPKZVBNQPH-UHFFFAOYSA-N 303.341 2.000 0 40 DEAB O=c1c2nnc3ccnn3c2ccn1Cc1ccc(Cl)cc1 40388030 WICOOLWCSQHMOK-UHFFFAOYSA-N 311.732 2.141 0 40 DEAB CC(C)[C@@]1(CO)CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 571554165 WLKMVNIUYCFOCW-KRWDZBQOSA-N 301.390 2.434 0 40 DEAB Cc1ccncc1CCNC(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]21 1579814231 BWOPRAYXJXYSTG-USXIJHARSA-N 301.434 2.217 0 40 DEAB O=C(O)CSc1cc(C(F)(F)F)cc(SCCO)n1 43179055 XQOXACYAVWRULZ-UHFFFAOYSA-N 313.322 2.362 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)NCc1ccc(F)cc1 222430449 USXPMSXORIYBAA-NEBZKDRISA-N 303.333 2.355 0 40 DEAB NC(=S)Nc1ncc(Br)cc1Br 89157588 XIMYCSKDDBMLSY-UHFFFAOYSA-N 311.002 2.262 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c1 96440184 KVTIRXITOSSUJI-QWHCGFSZSA-N 316.405 2.420 0 40 DEAB CCc1oc(C(=O)OC)cc1Cn1nc(-c2ccco2)oc1=O 96455700 QKCRJVMQOJHODY-UHFFFAOYSA-N 318.285 2.087 0 40 DEAB O=C(N1CC[C@@]2(CCOC2)C1)C1(c2ccccc2)CCOCC1 96462283 DZJZNUYAIFCPGO-GOSISDBHSA-N 315.413 2.374 0 40 DEAB O=C1C[C@@H]2[C@H](CCN2C(=O)c2cccnc2)N1c1ccsc1 96083001 XXRXSZAFEZBMCW-UONOGXRCSA-N 313.382 2.163 0 40 DEAB Cc1nc(CN2C[C@@H]3COC[C@]3(COCC3CC3)C2)cs1 96108716 HEZIFFOJIVQCHE-GDBMZVCRSA-N 308.447 2.327 0 40 DEAB Cc1cccc(CN(C)C(=O)Cc2nnc(O)c3ccccc23)n1 578808181 VNFKUDBOKSEQCH-UHFFFAOYSA-N 322.368 2.240 0 40 DEAB C/C(=C\[C@H](C)[C@@H](C)O)CC[C@@H](O)Cc1cc(O)c(C)c(=O)o1 96111471 RIQJTEDKQNLJJQ-ISTCTVEPSA-N 310.390 2.301 0 40 DEAB biogenic,in-vitro CC(C)N(C)CC(=O)NCCc1nc(C(F)(F)F)cs1 96432823 YUDIHCKRUCUEPA-UHFFFAOYSA-N 309.357 2.161 0 40 DEAB COc1ccc(CCC(=O)Nc2cnn([C@H]3CCOC3)c2)cc1 96123103 XKZAVULUHOBBEF-HNNXBMFYSA-N 315.373 2.424 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2C[C@@]23C(=O)N(C)c2ccccc23)cn1 96243424 MLUMUEIBJFTKRF-KSSFIOAISA-N 307.353 2.263 0 40 DEAB COc1cc(CNC(=O)[C@H]2Cc3ccccc3CN2)ccc1C 95426467 QJHKOZGIHGKLHH-QGZVFWFLSA-N 310.397 2.334 0 40 DEAB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3ccc(F)cc3)C2)C1 96238790 ZVSLYSIZAVCWMM-QGZVFWFLSA-N 319.380 2.373 0 40 DEAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1cnn(C)c1 96439237 LRLBYWNPMOUAHT-IPYPFGDCSA-N 308.426 2.376 0 40 DEAB COC[C@H]1CN(C(=O)c2ccsc2)CC12CCN(C)CC2 248108550 GNDVNTMVWTZCFG-CQSZACIVSA-N 308.447 2.179 0 40 DEAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 245231480 DMSSBLFWFTUXFM-JQVOGXOBSA-N 307.349 2.447 0 40 DEAB Cc1ccn(CCC(=O)N2CCC[C@@H](c3ccnc(C)n3)C2)n1 257335787 YLWYCPOUWFMWBE-OAHLLOKOSA-N 313.405 2.086 0 40 DEAB CN([C@H](C(=O)NC1CCCCC1)c1ccccc1)S(C)(=O)=O 260790444 BAAIBSPIFYSZDF-HNNXBMFYSA-N 324.446 2.068 0 40 DEAB CO[C@H]1CCCN(c2ccc(NS(=O)(=O)C3CC3)cc2)C1 96122517 NOCLQCWDSXVUAO-AWEZNQCLSA-N 310.419 2.206 0 40 DEAB CSCC(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575403143 JFEPWSGIJCRXHS-ZDUSSCGKSA-N 324.471 2.048 0 40 DEAB C[C@@H](CC(=O)N[C@@H]1C(=O)NCC1(C)C)Cc1cccc(F)c1 585140962 NHHAFVWRCRKQOW-IAQYHMDHSA-N 306.381 2.035 0 40 DEAB c1ccc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)nc1 585103141 RSJIQVFEXYDYRE-INIZCTEOSA-N 302.418 2.489 0 40 DEAB CCc1noc(CN2CCc3cc(OC)c(OC)cc3C2)n1 71794643 SGHSVWBVBNEYDQ-UHFFFAOYSA-N 303.362 2.208 0 40 DEAB CCc1nc(N2CCCC[C@@H]2CC(N)=O)c2ccsc2n1 91017000 BKFXWWPUPUNIJX-SNVBAGLBSA-N 304.419 2.488 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCN(C)CC12CCCC2 85472713 CYFOCMKNRCQNRE-UHFFFAOYSA-N 305.422 2.311 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCOc3c(F)cccc32)c(=O)[nH]1 75122508 QJZXPWPYCOXCNR-ZDUSSCGKSA-N 302.305 2.076 0 40 DEAB O=C(c1ccccc1O)N1CCN(c2nc3ccccc3o2)CC1 76710959 ZCRLIMOYBNQYFD-UHFFFAOYSA-N 323.352 2.496 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCCCCC1 40540555 NGHZUPVLSAFMQI-UHFFFAOYSA-N 300.366 2.379 0 40 DEAB Cn1cc(CN[C@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1 83455957 SRZMGVFQVYQFNJ-MRXNPFEDSA-N 308.426 2.203 0 40 DEAB CCOC(=O)[C@@H](C)n1nc(C)n2c(cc3ccsc32)c1=O 12114209 YKZPENQLLYAUQH-MRVPVSSYSA-N 305.359 2.143 0 40 DEAB CCc1cc(O)n2nc([C@@H]3CCCN3C(=O)C(C)C)cc2n1 12154087 HIHJUZFLXCJMRW-ZDUSSCGKSA-N 302.378 2.317 0 40 DEAB CN1c2ncccc2C(=O)NC12CCN(Cc1ccccc1)CC2 12182232 RPPYOXMVGUNWLS-UHFFFAOYSA-N 322.412 2.254 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2)c1 13084101 AYWWVWLGPABQKD-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB CCS(=O)(=O)N1CCc2cc(C(=O)NCCC(C)C)ccc21 13610307 OSUSNEVXGBFNJP-UHFFFAOYSA-N 324.446 2.175 0 40 DEAB CCCCOC(=O)c1ccc(N2C(=O)[C@@H](C)NC2=S)cc1 15569375 GMQHVPZHJUJUCP-SNVBAGLBSA-N 306.387 2.253 0 40 DEAB COc1cc(C(=O)NCc2csc(C)n2)cc(OC)c1OC 15832184 HIBDAWIRZHXCMU-UHFFFAOYSA-N 322.386 2.407 0 40 DEAB Cn1nccc1C(=O)N1CCC[C@@H](c2cc3ncccc3[nH]2)C1 19289119 DJGUBJNSDYCHOS-GFCCVEGCSA-N 309.373 2.316 0 40 DEAB CCn1c(CN2CCc3c(nc(C)[nH]c3=O)C2)nc2ccccc21 19524310 GHZBMTTUVCDNQQ-UHFFFAOYSA-N 323.400 2.006 0 40 DEAB CC(=O)Nc1nc(-c2ccc3c(c2)N(C)C(=O)CO3)c(C)s1 19796432 HIPBPLXGRCISEP-UHFFFAOYSA-N 317.370 2.432 0 40 DEAB Cc1nc(C)c(CC(=O)N[C@@H](C)CCc2ccccc2)c(=O)[nH]1 19937517 IOOAVBLSYQGZRL-LBPRGKRZSA-N 313.401 2.067 0 40 DEAB NC(=O)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 10665782 KPISJIHMMRTEJT-SNVBAGLBSA-N 306.416 2.431 0 40 DEAB Fc1cncnc1N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888844067 GYMAKUBZQZYNIB-NSHDSACASA-N 315.352 2.188 0 40 DEAB CN(c1ncnc2ccc(F)cc12)C1CN(c2ccccn2)C1 1889179491 PSKWHEKZJSEMRY-UHFFFAOYSA-N 309.348 2.489 0 40 DEAB CC(C)N1C[C@]2(CCN(CCc3ccccc3)C2)COCC1=O 2037980793 IVUQTRUWPDVRAR-LJQANCHMSA-N 316.445 2.188 0 40 DEAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccccn1 13808066 QNHSBEGNFSHMSH-UHFFFAOYSA-N 324.315 2.083 0 40 DEAB O=C(NC[C@@H](c1ccsc1)N1CCOCC1)C1CCCC1 20950433 LMQMYDPQHIUNIA-HNNXBMFYSA-N 308.447 2.428 0 40 DEAB CCCc1noc([C@@H](C)Nc2cccc(OCC(=O)NC)c2)n1 30493090 VRYLSUFNVGSMIV-LLVKDONJSA-N 318.377 2.320 0 40 DEAB Fc1ccc2sc(CNc3ccc4nnnn4n3)cc2c1 40135319 YMYHGMVZLRLHJH-UHFFFAOYSA-N 300.322 2.485 0 40 DEAB O=C(CCc1nc(-c2ccccc2)no1)NCCc1ccccn1 21183864 RYQBNRFPDNFIHG-UHFFFAOYSA-N 322.368 2.423 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@H]1c1ccsc1)c1nncn1C 46963408 MFFXBPDDFOEAFT-PWSUYJOCSA-N 305.407 2.484 0 40 DEAB C[C@@]1(CO)CCC[C@H]1NC(=O)c1cc(Cl)c2c(c1)OCO2 79109994 MFSDLFDHXLYPRG-DOMZBBRYSA-N 311.765 2.350 0 40 DEAB C[C@@H](NC(=O)CC1CCCCC1)c1ccc(S(N)(=O)=O)cc1 3429755 IHLJOIVVEJJCKT-GFCCVEGCSA-N 324.446 2.482 0 40 DEAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 6640650 NYTNEFQCFWTCMA-CBAPKCEASA-N 313.256 2.146 0 40 DEAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)O)c1 100555596 KMMUTTCATNQTLO-NGERZBJRSA-N 303.314 2.070 0 40 DEAB CC(=O)c1ccccc1NC(=O)[C@H](C)N1C[C@H](C)O[C@@H](C)C1 34872006 DTOKFLVGQDFLSP-AVGNSLFASA-N 304.390 2.325 0 40 DEAB COc1ccccc1N1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 57388115 DYPQPHWVPJXXIF-AWEZNQCLSA-N 319.449 2.120 0 40 DEAB C[C@@]1(C(=O)OCC(=O)NCc2ccccc2)CC1(Cl)Cl 3272968 BJYPCGKCUAFMAF-ZDUSSCGKSA-N 316.184 2.430 0 40 DEAB Cn1c(C(=O)N[C@H]2CCc3nccn3C2)cc(Cl)c1Cl 97197939 VHNMQGPRPJIQRD-QMMMGPOBSA-N 313.188 2.273 0 40 DEAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2nc(C)no2)c(F)c1 97163977 JGTHIZCXOMSSJC-CYBMUJFWSA-N 305.309 2.039 0 40 DEAB 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2.335 0 40 DEAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)C1=COCCO1 6049067 QEUHIFYAIXEBNK-UHFFFAOYSA-N 306.358 2.203 0 40 DEAB Cc1[nH]c(C(=O)O[C@H]2C[C@@H](C)OC2=O)c(C)c1C(=O)OC(C)C 95377700 WTXPWIYVDBNRFB-KCJUWKMLSA-N 323.345 2.058 0 40 DEAB CCC[C@@H]1CCCN(Cc2nc(O)c3cnn(C)c3n2)CC1 65403197 VDTTTWDUYNITRL-GFCCVEGCSA-N 303.410 2.471 0 40 DEAB COc1ccc(OC)c([C@H]2CCCN2C(=O)Cn2cccn2)c1 65422568 ACPOIGHRDWGZBC-OAHLLOKOSA-N 315.373 2.264 0 40 DEAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc2c(c1)OCO2 20140703 DUEKDHHAUQBMBS-UHFFFAOYSA-N 315.281 2.374 0 40 DEAB O=C(CCCCN1CCCC1)N1CCC[C@@H](n2cccn2)C1 65624403 ORMCMVSVKYAAIL-MRXNPFEDSA-N 304.438 2.313 0 40 DEAB COc1ccc(NC(=O)c2cnc3sc(C)cn3c2=O)cc1 4517271 VEJGHINCEVYTBV-UHFFFAOYSA-N 315.354 2.325 0 40 DEAB COC(=O)c1ccc(CNC(=O)COc2ccccc2F)cc1 5860647 PPECRZZRWLUXJS-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB COc1c(C)cnc(CN2CCC(C(=O)N(C)C)CC2)c1C 67226561 DQMNQRIBMFOXEM-UHFFFAOYSA-N 305.422 2.007 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cc1cccc(OC)c1 67622638 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0 40 DEAB CC(C)NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409382912 XRXHRUNGHQVJAG-SNVBAGLBSA-N 318.826 2.019 0 40 DEAB Cc1ccccc1CNC(=O)COc1ccc(CC(=O)O)cc1 13421452 SRYGCMQHILKGNN-UHFFFAOYSA-N 313.353 2.317 0 40 DEAB CC[C@H](c1ccccc1)N1CCC(C(=O)NCCCO)CC1 72313444 HMRXGLOOYVYGPT-QGZVFWFLSA-N 304.434 2.348 0 40 DEAB CCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1 4142481 WAOBODQUKCCDML-UHFFFAOYSA-N 312.416 2.329 0 40 DEAB O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1nccs1 13806300 VWWCUBURIYFZMS-UHFFFAOYSA-N 312.354 2.006 0 40 DEAB Cc1cc(C(=O)COn2nnc3ccc(Cl)cc32)c(C)n1C 14352198 HZOYHMWLDBQBMU-UHFFFAOYSA-N 318.764 2.352 0 40 DEAB COc1ccccc1C[C@@H]1CCCN(CCN2CCOC2=O)C1 66894177 RKYLWSHDJDSELM-HNNXBMFYSA-N 318.417 2.402 0 40 DEAB Cc1ccc(O)c(C(=O)c2c[nH]c(-c3nnc4n3CCC4)c2)c1 9458547 QEFRYKDOEHTEOF-UHFFFAOYSA-N 308.341 2.464 0 40 DEAB O=S(=O)(NCCOc1ccccc1F)c1cccs1 7215828 QZPPZUXSWAZRFC-UHFFFAOYSA-N 301.364 2.245 0 40 DEAB O=C1CC[C@H](C(=O)OCc2cc3ccccc3nc2Cl)CN1 84594818 PVIXBASFYNFBKF-NSHDSACASA-N 318.760 2.458 0 40 DEAB 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DEAB CC(C)[C@@](O)(CN1CCC(n2cncn2)CC1)c1ccccc1 69844462 USHYNSGWTSMUHC-SFHVURJKSA-N 314.433 2.459 0 40 DEAB O=C1C[C@@H](Nc2cncc(Cl)n2)CN1Cc1ccccc1 69843356 MLEVQYZSAGGOCB-GFCCVEGCSA-N 302.765 2.343 0 40 DEAB CCOCCN1CCN(C[C@H](O)c2ccccc2Cl)CC1 69947209 NLRTZGSWMVWBCJ-INIZCTEOSA-N 312.841 2.028 0 40 DEAB O=C(N1CCCN(c2cccnn2)CC1)C1(c2ccccc2)CC1 69947626 FDJJRYSFUBADPL-UHFFFAOYSA-N 322.412 2.247 0 40 DEAB CCc1cccc(NC(=O)CNC(=O)c2cccc3cn[nH]c23)c1 95393022 ASUAOMRLTLJSFZ-UHFFFAOYSA-N 322.368 2.494 0 40 DEAB C[C@@](O)(CNC(=O)CC[C@@H]1CCCO1)c1ccc(F)cc1F 71907918 SLMKFRRQDBXUQC-BLLLJJGKSA-N 313.344 2.248 0 40 DEAB CCOC[C@H](O)CN1CCC(CN2CCc3ccccc32)CC1 71904905 AMWSAFPZKTWPLU-GOSISDBHSA-N 318.461 2.159 0 40 DEAB CCCc1noc(CN2CCN(c3cccc(C)n3)C[C@@H]2C)n1 71908415 RWRBSNCQINTAOS-AWEZNQCLSA-N 315.421 2.436 0 40 DEAB Cc1cccc(-c2ccc(CNC(=O)c3n[nH]c(=O)[nH]3)cc2)c1 71915902 AEZGDZOSOINKOR-UHFFFAOYSA-N 308.341 2.003 0 40 DEAB Cc1[nH]cc(C(=O)N2CC[C@H](C)[C@H]2C)c(=O)c1Br 97080769 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DEAB Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O 40086528 XAAPSHVFCBJKJC-RYUDHWBXSA-N 314.307 2.068 0 40 DEAB O=c1/c(=C\c2ccco2)sc2nc(-c3cccs3)nn12 199581 PHBMCWYDSGWCLH-JXMROGBWSA-N 301.352 2.020 0 40 DEAB CCC[C@@]1(C)NC(=O)N(C[C@@H](O)c2cc(F)ccc2F)C1=O 51373882 VHRSLAWLXCSEDX-IUODEOHRSA-N 312.316 2.109 0 40 DEAB CCn1cnnc1CNC(=O)NC[C@H]1CCCc2ccccc21 41279765 HQDWFLNQBOTBRO-CQSZACIVSA-N 313.405 2.217 0 40 DEAB O=C(CCCNC(=O)C1CC1)NCCSCc1ccccc1 32914231 SQSPZYTXLKDZBO-UHFFFAOYSA-N 320.458 2.342 0 40 DEAB CC[C@H](Oc1ccccc1)C(=O)N1CCC(C(=O)OC)CC1 479593 UBBPGCKQLYSKDQ-HNNXBMFYSA-N 305.374 2.256 0 40 DEAB COC(=O)c1cnc(NC(=O)c2cn3c(C)cccc3n2)s1 21865190 BSFVNPMTACLWPN-UHFFFAOYSA-N 316.342 2.138 0 40 DEAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(O)cc1 52838753 OHGDHXRYMATZKM-UHFFFAOYSA-N 314.366 2.470 0 40 DEAB Nn1c(SCc2ccccc2F)nnc1-c1ccncc1 532200 LSCMWBJHLFCBRR-UHFFFAOYSA-N 301.350 2.485 0 40 DEAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)C[C@H]1C=CS(=O)(=O)C1)C2 70809168 VERSCLPVZHWLLM-JXFSHQFZSA-N 311.447 2.266 0 40 DEAB CCOC(=O)c1c(N2C(=O)CCC2=O)sc2c1CCCC2 116593 QLVGBCMDSKIPDX-UHFFFAOYSA-N 307.371 2.457 0 40 DEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N(C)Cc1ccccn1 78985118 IBJJNIFGQJGXBU-UHFFFAOYSA-N 314.389 2.043 0 40 DEAB COc1cccc2c1ccn2CC(=O)NCCc1ccccn1 79494036 MDJDXBUFIYKKRU-UHFFFAOYSA-N 309.369 2.404 0 40 DEAB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccn(C)c2)SC1=S 6884183 KKZSENKQLYBNIV-YAEJEKNGSA-N 324.427 2.336 0 40 DEAB O=c1[nH]nc(SCc2cn3cc(Cl)ccc3n2)n1C1CC1 7247872 PRONYYCCELUKKB-UHFFFAOYSA-N 321.793 2.500 0 40 DEAB CS(=O)(=O)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 23480961 INTFINBVMTXIEG-UHFFFAOYSA-N 323.245 2.071 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(F)ccc1F 24014018 SPKNXQRKDIEVNV-UHFFFAOYSA-N 319.311 2.449 0 40 DEAB CCONC(=O)CCn1c(-c2cccc(C)c2)n[nH]c1=S 24980181 USHUGCWYYBAGDQ-UHFFFAOYSA-N 306.391 2.374 0 40 DEAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccn(C)n1 55575075 CZFCRJWVMWLZQK-UHFFFAOYSA-N 323.374 2.043 0 40 DEAB COCCCN1CCCN(C(=O)c2cccc(F)c2F)CC1 71924396 VMPKZDPJGDEAML-UHFFFAOYSA-N 312.360 2.149 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108356103 OYJKZPZLEFJMRZ-GRYCIOLGSA-N 301.795 2.247 0 40 DEAB CCc1ncncc1C(=O)N1CCN(Cc2ccsc2)CC1 44367152 WGFUWTDOHDPDPV-UHFFFAOYSA-N 316.430 2.059 0 40 DEAB Fc1ccc(-c2[nH]ncc2CNCCCN2CCOCC2)cc1 10003149 MEZPUIUOMRHJMV-UHFFFAOYSA-N 318.396 2.028 0 40 DEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(Cl)c1 3249447 IBFWHJDCEQTHJG-UHFFFAOYSA-N 321.764 2.143 0 40 DEAB Cc1cc(C)cc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)c1 20156371 IFPUCNAHYQHQTQ-UHFFFAOYSA-N 304.371 2.447 0 40 DEAB COc1ccc(CC(=O)N2C[C@@H](C)OCC2(C)C)cc1OC 36075972 LWMSCDYTYJUCOZ-GFCCVEGCSA-N 307.390 2.272 0 40 DEAB CCO[C@H](C(=O)Nc1cccc(-n2cnnn2)c1)c1ccccc1 58203044 CUMMYUHCLQGVOQ-INIZCTEOSA-N 323.356 2.379 0 40 DEAB Cc1csc(CCNC(=O)N2CCC[C@@H](N3CCCC3)C2)n1 48262077 OUDMKHUDOGBCGN-CQSZACIVSA-N 322.478 2.264 0 40 DEAB C[C@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)N(C)C 58365080 LVHCEUJXVSPXEZ-GDBMZVCRSA-N 321.440 2.104 0 40 DEAB Cc1cc2ccccc2n1CC(=O)NCC(=O)OCC1CC1 58312929 APRSBZAHHBNGLN-UHFFFAOYSA-N 300.358 2.019 0 40 DEAB COc1ccc(Cc2c(C)nc(NC[C@@H](C)O)nc2C)cc1 95348809 HSONUTOLQVRKAH-LLVKDONJSA-N 301.390 2.486 0 40 DEAB Cn1ccnc1COc1ccc(C(=O)OC[C@@H]2CCCO2)cc1 95349740 ICAAAEOADPKRHY-HNNXBMFYSA-N 316.357 2.335 0 40 DEAB CC(=O)Nc1ccc(NC(=O)COCC(F)(F)F)cc1C 36397719 RKEDTSZMAZDGGI-UHFFFAOYSA-N 304.268 2.471 0 40 DEAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1cnccn1 10460399 NKNNUKMDLUEXPA-UHFFFAOYSA-N 324.384 2.033 0 40 DEAB CSC[C@@H](NC(=O)CCn1ccccc1=O)c1ccccc1 95398802 FAHJWADGKMWOPR-OAHLLOKOSA-N 316.426 2.459 0 40 DEAB CC(=O)Oc1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 28631524 SDJFTIPPLLFDSG-CYBMUJFWSA-N 323.345 2.132 0 40 DEAB Nc1nccnc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 11240445 XTVJVGQHPXLQEO-UHFFFAOYSA-N 300.406 2.395 0 40 DEAB COC(=O)C1=C(CCl)N(C)C(=O)N(C)[C@H]1c1ccccc1 24926891 RZQBXGBWWZTRJL-ZDUSSCGKSA-N 308.765 2.391 0 40 DEAB Nc1nc(NCCC(=O)NCc2ccccc2)nc2ccccc12 95449331 GVJDKHDMVVHTAA-UHFFFAOYSA-N 321.384 2.330 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)c1c[nH]c2ccccc12 11866566 MXNWVODSPFXQCZ-UHFFFAOYSA-N 303.362 2.422 0 40 DEAB Cc1nc2ncnn2c(C)c1CC(=O)NCCC1=CCCCC1 12883354 KHEIGBACXGODEE-UHFFFAOYSA-N 313.405 2.290 0 40 DEAB O=C(Nc1ccccc1C(=O)O[C@H]1CCOC1=O)c1ccco1 2621763 RQSANBQKXUOBGS-ZDUSSCGKSA-N 315.281 2.004 0 40 DEAB CN(C)[C@@H](CNC(=O)c1cc(C2CC2)[nH]n1)c1cccc(F)c1 37170788 QCPHNKQVDWOXFX-INIZCTEOSA-N 316.380 2.459 0 40 DEAB CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 48978744 LMWOPLAFZRTHPR-HNNXBMFYSA-N 323.396 2.483 0 40 DEAB CCNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 13254280 HNXWUDVVIHTKKH-ZIAGYGMSSA-N 316.357 2.042 0 40 DEAB CCO[C@H](C)C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 63987661 UCUNFLKLPPSMNE-NXEZZACHSA-N 307.325 2.478 0 40 DEAB Cc1occc1C(=O)OCC(=O)N[C@H]1CCOc2ccccc21 19355706 IGWZZOBMDUTIQD-AWEZNQCLSA-N 315.325 2.385 0 40 DEAB COc1ccc2cc([C@@H](C)C(=O)NS(C)(=O)=O)ccc2c1 13646053 HFZLMDUPSMGSOP-SNVBAGLBSA-N 307.371 2.028 0 40 DEAB Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc(Cl)c1C)C(=O)N2 13689287 XIPIJIJAWZAWKP-LLVKDONJSA-N 319.752 2.070 0 40 DEAB CCc1ncnc(N2CCN(CC(F)(F)F)[C@@H](C)C2)c1F 301926037 GVSWDTXYMADHTC-VIFPVBQESA-N 306.307 2.251 0 40 DEAB Cc1noc(C)c1COC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 6541272 MBCVLKRNUGKQAC-AWEZNQCLSA-N 320.345 2.382 0 40 DEAB CC[C@@H](CO)NC[C@@H](O)COc1ccc(C(C)(C)C)cc1C 6626791 FHSOQWBPQITTJV-JKSUJKDBSA-N 309.450 2.393 0 40 DEAB COc1cc([C@H](/C=C/c2ccc(O)cc2)[C@H](O)CO)ccc1O 14696123 JRWXFOFDIRHTQG-GRNKITJOSA-N 316.353 2.257 0 40 DEAB biogenic CCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(OC)c1 66270147 KRSOFYPXQWIWDM-AWEZNQCLSA-N 322.430 2.013 0 40 DEAB CSc1ccc(/C=C/C(=O)OCC(=O)NC(=O)C(C)C)cc1 6879076 ONDWTGFSSQGKDF-RMKNXTFCSA-N 321.398 2.264 0 40 DEAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccncc1 15095303 MFKPFSRLPQKGCB-CYBMUJFWSA-N 307.357 2.496 0 40 DEAB CCC[C@@H]1C[C@H](C(=O)Nc2ccc(C(N)=O)cc2F)CCO1 96002074 HISHTABFUXSDFN-VXGBXAGGSA-N 308.353 2.458 0 40 DEAB Cc1cccc(-n2cc(C(=O)Nc3cccc(N(C)C)n3)nn2)c1 96006478 BYTOTHMSNDQLFX-UHFFFAOYSA-N 322.372 2.289 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cnn(C)c1)c1ccc2ccccc2c1 96009078 KFDDGZDNEVQCFC-INIZCTEOSA-N 323.352 2.217 0 40 DEAB COCCNC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 67357192 DHAYVNONCJMVQU-UHFFFAOYSA-N 319.449 2.186 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1cccc(F)c1 7390292 GEGSLYSQAIQCQM-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB NC(=O)[C@@H]1CCCN(C(=O)/C=C/c2nc3ccccc3s2)C1 7989556 VYJAKEWUDCMHPS-WSKFYRRCSA-N 315.398 2.033 0 40 DEAB O=C1NC2(CCCCCC2)C(=O)N1Cc1nnsc1Cl 8231790 SEBWNUOLVOFXIY-UHFFFAOYSA-N 314.798 2.336 0 40 DEAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)C1CC1 8250321 SAPPXSPLCKHWLH-SECBINFHSA-N 306.435 2.497 0 40 DEAB O=C(c1cc(Cl)ccc1O)N1CCC[C@H](C2OCCO2)C1 69418897 OARBXGYKKFTDLL-JTQLQIEISA-N 311.765 2.271 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CN(CCO)Cc2ccsc2)C1 69581295 DMLYPQHJCYTBGI-KBPBESRZSA-N 310.463 2.047 0 40 DEAB CCCCN(Cc1cc2ccccc2[nH]c1=O)S(C)(=O)=O 8686262 OYNDOQYTHODUFR-UHFFFAOYSA-N 308.403 2.090 0 40 DEAB Cn1ccc(C(=O)Nc2cc(-c3ccccc3F)no2)cc1=O 71847184 SQILOUSTWVGQAM-UHFFFAOYSA-N 313.288 2.432 0 40 DEAB C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C1CCC1 97096547 RXRBCASRWZBRBW-CQSZACIVSA-N 302.422 2.097 0 40 DEAB O=C(c1csc(NC2CC2)n1)N1CC[C@@]2(O)CCCC[C@H]2C1 95475667 WZZWJBYDWQKEMP-ZBEGNZNMSA-N 321.446 2.485 0 40 DEAB Cc1cc(CC(=O)NC(C)(C)CN(C)Cc2ccccc2)n[nH]1 95436469 YVOQEJLSBQZCNT-UHFFFAOYSA-N 314.433 2.287 0 40 DEAB O=C(c1cc(-c2ccco2)on1)N1CCCC[C@H]1c1nc[nH]n1 95989291 MYHZDSZFTUAFAI-NSHDSACASA-N 313.317 2.420 0 40 DEAB CCCCCS(=O)(=O)NC[C@H]1CC(=O)Nc2ccccc21 95939984 GAFMXSQZWKXXDQ-GFCCVEGCSA-N 310.419 2.222 0 40 DEAB COc1ccc(CNC(=O)Nc2ccnc(C)n2)cc1OC 95942342 IQYPEWXUKYDHCV-UHFFFAOYSA-N 302.334 2.124 0 40 DEAB CN(CC1(CO)COC1)[C@H](c1ccc(F)cc1)c1cccnc1 89124664 PHLWZZXVUWLDMH-QGZVFWFLSA-N 316.376 2.251 0 40 DEAB CCc1ncc(CNc2ccc(N3CCN(C)CC3)nc2)s1 89296038 ZQBMFNUVATUMAI-UHFFFAOYSA-N 317.462 2.464 0 40 DEAB Cc1cc([C@H](C)NC(=O)N[C@H](C)CCS(C)(=O)=O)c(C)o1 89580444 QPLRWSUBGDXCSX-KOLCDFICSA-N 316.423 2.080 0 40 DEAB Cc1nc2ncnn2c(N[C@H]2CCO[C@@]3(CCSC3)C2)c1C 89556246 BBILTMQKAPZQBD-WFASDCNBSA-N 319.434 2.208 0 40 DEAB O=C(NC[C@@H]1CCCOC1)c1ccc(-c2cccs2)[nH]c1=O 75126116 ZRBRMDPRBCLPMA-NSHDSACASA-N 318.398 2.260 0 40 DEAB COCCN(CC(=O)Nc1c(C)n[nH]c1C)Cc1ccc(C)o1 89656064 MHMKMTCIDICIAW-UHFFFAOYSA-N 320.393 2.015 0 40 DEAB C[C@H]1[C@@H](C)SCCN1S(=O)(=O)c1c[nH]c2ncccc12 89920069 XMSRVHUTQMHTMD-VHSXEESVSA-N 311.432 2.077 0 40 DEAB COCCOc1cccc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)c1 89937582 OPCJWAXKBYOCDQ-KBXCAEBGSA-N 320.433 2.058 0 40 DEAB Cc1nc(C)c(CNC(=O)NCCCCn2ccnc2)s1 76086275 GUEZBZYIOTYPNL-UHFFFAOYSA-N 307.423 2.236 0 40 DEAB Cn1ccc(-c2cc(C(=O)N[C@H]3CCO[C@@H](C4CC4)C3)n[nH]2)c1 553556339 JAGMMSYVZOTBNM-XJKSGUPXSA-N 314.389 2.103 0 40 DEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sccc1C(N)=O 38549404 TXGLGHUNYTYOQM-PELKAZGASA-N 318.354 2.014 0 40 DEAB CN(C[C@@H]1CCCCN1CCN)C(=O)OCc1ccccc1 79411508 IUHUIKLEHJDNTC-INIZCTEOSA-N 305.422 2.068 0 40 DEAB COc1ccc([C@H]2[C@@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218097684 SXJFNECNOKYECL-IKGGRYGDSA-N 317.410 2.210 0 40 DEAB Cc1nnnn1-c1ccccc1C(=O)NCc1cccc(F)c1 71285820 QDUPOCXRXNUGBJ-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB NC[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218630018 QRVWNRYQMJGWOY-BZUAXINKSA-N 305.374 2.340 0 40 DEAB COc1cc(OC)cc(C(=O)NC[C@H](O)Cc2ccccc2)c1 70639235 DQRGGXTXXGCZJA-OAHLLOKOSA-N 315.369 2.037 0 40 DEAB CS(=O)(=O)c1cn[nH]c1[C@@H]1CCCN1Cc1ccccc1 72366134 JQZOISWDKGVNOL-ZDUSSCGKSA-N 305.403 2.150 0 40 DEAB CC(C)COc1ccc(NC(=O)[C@H]2CNCCO2)cc1Cl 187355729 KLUNZTUVIQBSLS-CQSZACIVSA-N 312.797 2.302 0 40 DEAB O=C1C[C@H](CNCc2cnc3ccc(Cl)cn23)CN1C1CC1 567172516 QNWGTJNEFFOZDO-LLVKDONJSA-N 318.808 2.088 0 40 DEAB CN1C(=O)[C@@](C)(C(=O)N2CCSCC2)Sc2ccccc21 40774676 OJCHDOZUBJBKSY-HNNXBMFYSA-N 322.455 2.089 0 40 DEAB Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnn1C1CCCC1 190483067 LCUJSPAYLFWZPM-GFCCVEGCSA-N 305.378 2.243 0 40 DEAB CN(C)c1ncc(NC(=O)NCc2ccc3ncccc3c2)cn1 193852837 SFHRNSDLNPEULL-UHFFFAOYSA-N 322.372 2.413 0 40 DEAB CCOC(=O)CNC(=O)c1ccc2c(c1)nc(Cl)n2CC 222546349 BYVIAECQSXRYIT-UHFFFAOYSA-N 309.753 2.003 0 40 DEAB O=C(CC1CC1)N1CCc2ncnc(-c3cccnc3)c2CC1 96255331 LSAYQUQDAZIBNO-UHFFFAOYSA-N 308.385 2.266 0 40 DEAB c1cncc(O[C@H]2CN(Cc3ccco3)[C@@H]3CCCO[C@H]23)c1 96187089 ZXMXPUKQUOWUER-IKGGRYGDSA-N 300.358 2.485 0 40 DEAB COc1ccccc1[C@H](C)N[C@H](C(=O)N1CCOCC1)C(C)C 95423657 YYTCLIYTNVEEHT-YOEHRIQHSA-N 320.433 2.229 0 40 DEAB C[C@H]1CCCN1C(=O)c1n[nH]c2c1CN(Cc1ccco1)CC2 96187407 TWKBYNUTLXSUDU-LBPRGKRZSA-N 314.389 2.186 0 40 DEAB C[C@H](Cc1ccc(Cl)cc1)NCCC(=O)N1CCOCC1 91309396 ZHPBBRXKVODAPN-CYBMUJFWSA-N 310.825 2.110 0 40 DEAB CC(C)C(=O)N1CCC[C@]12CCN(C(=O)c1cscn1)C2 96203067 DNFOLPRFBDENBN-OAHLLOKOSA-N 307.419 2.006 0 40 DEAB Cc1ccccc1N1C[C@@]2(CCN(Cc3cncn3C)C2)CC1=O 96077420 IMXKQGHMYLBDGJ-IBGZPJMESA-N 324.428 2.358 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccc(F)cc2)C1 242437322 BYXVVXTXINETJW-HUUCEWRRSA-N 323.412 2.425 0 40 DEAB COC(=O)[C@@H]1CCn2c(nnc2[C@H](C)Oc2ccccc2F)C1 601045253 UPEDKSIAMCAIIQ-WDEREUQCSA-N 319.336 2.293 0 40 DEAB CCCCc1nc(CN2CCO[C@H](c3nc(C)cn3C)C2)c[nH]1 257228040 FSAWZQCSGLXBNJ-HNNXBMFYSA-N 317.437 2.368 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1c1cnccn1 257310303 UEOAOJRTRFTCNX-CQSZACIVSA-N 311.341 2.225 0 40 DEAB CCN(CC)C(=O)[C@H](C)n1cc(COc2ccccc2)nn1 257173446 NPZOAQGCZRUTIW-ZDUSSCGKSA-N 302.378 2.287 0 40 DEAB Cc1nc([C@H]2CCCN2CC2CCOCC2)cc(N(C)C)n1 257219533 DHCMYBJCYJYPNN-MRXNPFEDSA-N 304.438 2.415 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccc(-n3cnnc3)c2)n1 257331083 XRHHMPMJAPANIC-HNNXBMFYSA-N 322.372 2.276 0 40 DEAB O=c1ccc(Cl)cn1Cc1ccc(OCC(F)(F)F)nn1 585091205 JOJCIEKKYXJBEX-UHFFFAOYSA-N 319.670 2.281 0 40 DEAB Cc1cnn(C[C@@H]2CN(c3ncnc4ccsc34)CCO2)c1 69451516 MFWRSMCXXJSPOG-LBPRGKRZSA-N 315.402 2.102 0 40 DEAB c1cnc(OC[C@H]2CCCN(c3ncnc4ncccc34)C2)nc1 1775996322 WWTJCFOJIKYAGA-ZDUSSCGKSA-N 322.372 2.110 0 40 DEAB CCc1cnc(CN(C)C(=O)NCc2ccnc(C)n2)s1 78987755 TZHYTTDRQBQVCC-UHFFFAOYSA-N 305.407 2.146 0 40 DEAB Cn1cc(Br)cc(NC(=O)/C=C/c2ccco2)c1=O 79049542 XJZMBQOQXVMGRI-SNAWJCMRSA-N 323.146 2.393 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@@H](O)c2ccco2)cn1 89694384 ZAIOZANRQJBDMJ-GFCCVEGCSA-N 324.402 2.392 0 40 DEAB O=C(O)CN(CC1CC1)C(=O)c1sccc1Br 95953712 MQJABGQEBICOAF-UHFFFAOYSA-N 318.192 2.447 0 40 DEAB COc1ccc([C@H]2CCCN2CC(=O)NC2CC2)cc1OC 40497711 JDZFLZFJLATMDY-CQSZACIVSA-N 304.390 2.119 0 40 DEAB CO[C@]1(COc2ccccc2C)CCN(Cc2cn(C)cn2)C1 1615142355 BSNVDEHMPBQCNN-GOSISDBHSA-N 315.417 2.398 0 40 DEAB CCOc1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1 5709542 GWANVASENCEALH-UHFFFAOYSA-N 314.341 2.463 0 40 DEAB COC(=O)[C@@H](NCc1csnn1)c1ccc(Cl)c(F)c1 154716351 PBRDCKZGXHPBQL-NSHDSACASA-N 315.757 2.335 0 40 DEAB O=C(N1CCCCC1)N1CC[C@@H](S(=O)(=O)c2ccccc2)C1 206583819 YZPQLXYQZXRRBB-OAHLLOKOSA-N 322.430 2.141 0 40 DEAB C[C@@]1(F)CNCCN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 569003103 QGYYCAJAMASQDQ-OAHLLOKOSA-N 324.787 2.122 0 40 DEAB C[C@@H]1C(=O)NCCN1C(=O)CCSc1ccc(Cl)cc1 11694211 JHYGFMIYVAIJEF-SNVBAGLBSA-N 312.822 2.169 0 40 DEAB Cc1cc(NC(=O)c2ccc(OCC3CCOCC3)nc2)no1 244998701 KQCKERVPTUIXPL-UHFFFAOYSA-N 317.345 2.436 0 40 DEAB O=C(O)c1ccc(NC[C@@H]2CCN(Cc3ccccc3)C2)nn1 309916167 UIWKTZZJMCIJOI-AWEZNQCLSA-N 312.373 2.109 0 40 DEAB O=C(c1cnco1)N1CC[C@@H]2C[C@]21C(=O)Nc1cccc(F)c1 2056225035 WROAOUKWGBWVKV-QLJPJBMISA-N 315.304 2.057 0 40 DEAB CNC(=O)[C@@H]1CCC[C@]12CCN(C(=O)Cc1ccc(C)cc1)C2 1565543273 PTSKTJUNKNCMNN-QFBILLFUSA-N 314.429 2.302 0 40 DEAB Cc1nc(CN2CCC(Oc3ccn4nccc4n3)CC2)co1 2298212763 XDFGETGGDPJESV-UHFFFAOYSA-N 313.361 2.069 0 40 DEAB c1ccc(-n2ncc3c2ncn2c([C@H]4CCCO4)nnc32)cc1 541377 CPFQFKXKBYAVCF-CYBMUJFWSA-N 306.329 2.315 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ncccc1C 73047563 ZXDHZYOSERQQGE-UHFFFAOYSA-N 304.371 2.436 0 40 DEAB Cc1cc(C)c(C2=CC(C(F)(F)C(F)F)=NCCN2)c(=O)[nH]1 100168998 INAZTKLQOKCKHV-UHFFFAOYSA-N 317.286 2.277 0 40 DEAB CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1c(F)cc(F)cc1F 31823 RGNOXUJJWODZFC-GXSJLCMTSA-N 305.277 2.151 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@H]1CCCO1)c1ccccc1Cl 31375951 CIDXXLWVCKYCDP-QWHCGFSZSA-N 311.765 2.239 0 40 DEAB O=C(COC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)NCc1ccc(F)cc1 100919026 JEUPBRFQQQWCQK-YDHLFZDLSA-N 303.333 2.197 0 40 DEAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NC1CCCCC1 32873990 WTTNUFGQZRSLFL-LLVKDONJSA-N 310.423 2.197 0 40 DEAB COC(=O)c1cc(NCc2cc(C)on2)cc(C(=O)OC)c1 52874993 FVDXTLLRFBAATN-UHFFFAOYSA-N 304.302 2.168 0 40 DEAB CC(C)c1ccc(NC(=O)Cn2cc(C(=O)O)ccc2=O)cc1 41670394 YFQRPFNJSHVYGI-UHFFFAOYSA-N 314.341 2.309 0 40 DEAB CC[C@H]1CCc2nc(NC(=O)[C@@H](C)S(C)(=O)=O)sc2C1 46785775 LCUIMZVRHRYTKR-BDAKNGLRSA-N 316.448 2.030 0 40 DEAB C[C@@H]1COC[C@@H](C)N1C(=O)C[C@H]1Sc2ccccc2NC1=O 77138939 KSUCCAXXNJIYBS-JTNHKYCSSA-N 320.414 2.125 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@@H]2CCC[C@@H]21 53382187 ZPOGLGHGXINCNR-UONOGXRCSA-N 303.358 2.128 0 40 DEAB CN1CC[C@@H](N2CCN(CC(F)(F)F)c3ccccc32)C1=O 78972889 CQWTYUNOAXXLNM-CYBMUJFWSA-N 313.323 2.106 0 40 DEAB CC(C)[C@@H](CC(=O)NCCc1nncn1C)c1ccccc1 79001194 DZFGFXBCZSVOEE-OAHLLOKOSA-N 300.406 2.304 0 40 DEAB C[C@H](OC(=O)c1ccco1)C(=O)N[C@H]1CCOc2ccccc21 22497346 XUULWVKWVHRFAY-AAEUAGOBSA-N 315.325 2.465 0 40 DEAB CC(C)NC(=O)COc1ncnc2ccc(Br)cc12 3452788 XXQKURZCRKYQFN-UHFFFAOYSA-N 324.178 2.296 0 40 DEAB COc1ccc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1 72288953 MXPVPTSZPIKZKB-UHFFFAOYSA-N 321.377 2.436 0 40 DEAB CCc1nnc(NC(=S)NC(=O)Cc2ccccc2)s1 8202906 NDWMTGIFRTZDFS-UHFFFAOYSA-N 306.416 2.156 0 40 DEAB CCOC(=O)CCCC(=O)c1ccc(CN2CCOCC2)cc1 43210876 WHTNIRLKTMVGHF-UHFFFAOYSA-N 319.401 2.435 0 40 DEAB O=C(CCCNC(=O)c1ccsc1)NCCc1ccccn1 25177253 AAJOYBYFDYIIFA-UHFFFAOYSA-N 317.414 2.012 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1OC 9921084 DMRUUDSGZUEAIN-UHFFFAOYSA-N 303.314 2.462 0 40 DEAB O=C1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CN1C1CC1 72285855 DQFLNUOTHKIIDF-YPMHNXCESA-N 319.430 2.208 0 40 DEAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3CCCCN3C)C2)no1 72277932 KQCVBIJRBAWNBA-KBPBESRZSA-N 320.437 2.383 0 40 DEAB Cc1ccccc1[C@H](CC(=O)NCc1ccoc1)NC(N)=O 58158024 DNUAWJLUHZMVDH-AWEZNQCLSA-N 301.346 2.004 0 40 DEAB CC(C)Cc1ncc(CNC(=O)N2CC[C@@H]([C@H](C)O)C2)s1 97108054 IIUAMTPTUXTQNU-NWDGAFQWSA-N 311.451 2.254 0 40 DEAB CN(C[C@@H]1COCCO1)c1cc(-c2ccccc2)nc2ccnn12 72430827 FHHQKTZBCODKEU-OAHLLOKOSA-N 324.384 2.248 0 40 DEAB COc1c(CNCc2ccc(CN(C)C)cc2)c(C)nn1C 58433959 RPRBMBMPYYNIPV-UHFFFAOYSA-N 302.422 2.089 0 40 DEAB Cc1cc(C)n(Cc2cccc(C(=O)NC3=NCCS3)c2)n1 58414319 OHMAQLWTHWHENZ-UHFFFAOYSA-N 314.414 2.381 0 40 DEAB Cn1ccnc1SCC(=O)Nc1cc(C(C)(C)C)nn1C 48364768 VWGPABCYTFQOIN-UHFFFAOYSA-N 307.423 2.182 0 40 DEAB COC(=O)c1sc(NC(=S)NC(=O)C(C)(C)C)nc1C 21596376 FMKCRDZVDPLQHL-UHFFFAOYSA-N 315.420 2.097 0 40 DEAB O=C(Cn1nnc2ccccc21)Nc1ccc(-n2cccn2)cc1 28242382 GNTPUZYXOCPOFP-UHFFFAOYSA-N 318.340 2.256 0 40 DEAB NC(=O)[C@H](OC(=O)c1cc(O)nc2ccccc12)c1ccccc1 11331914 FHXWHCUSTNRHJY-MRXNPFEDSA-N 322.320 2.324 0 40 DEAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@@H](O)c1ccccc1F)C2=O 28912817 MYZJOIDUGULJGZ-JDSLSITLSA-N 320.364 2.360 0 40 DEAB CC(C)C[C@]1(C)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C1=O 12976721 FLBKRIBHFCBROT-AHIWAGSCSA-N 323.437 2.133 0 40 DEAB Cc1nc(NS(=O)(=O)c2c(C)noc2C)nc2c1CCCC2 97114371 CZULFDOLYIBKOG-UHFFFAOYSA-N 322.390 2.069 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)CSc2cn[nH]n2)cc1 97227680 HJMUQRJCKQQJKL-ZDUSSCGKSA-N 318.402 2.269 0 40 DEAB COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6180999 AJTKUPPKKAKJCY-UHFFFAOYSA-N 321.336 2.200 0 40 DEAB C[C@@H](CN(C(=O)c1ccc(-n2ccnc2)cc1)C1CC1)C(=O)O 97231861 LYEWQDBILWWCEN-LBPRGKRZSA-N 313.357 2.198 0 40 DEAB C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)NCc1ccco1 6354605 ADEJLRYUYUSCMS-SECBINFHSA-N 309.268 2.420 0 40 DEAB CC(C)[C@H](O)C(C)(C)CNC(=O)NCc1ccn2ccnc2c1 179295159 MKOGCBOHWDZWPP-HNNXBMFYSA-N 318.421 2.177 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(C(F)(F)F)cc1 14184611 DXNHRHWWJRGULD-SECBINFHSA-N 321.320 2.469 0 40 DEAB CC(=O)N(C)C1CCN(C(=O)CSc2ccccc2F)CC1 84671263 TZJKWFKEGJIFKD-UHFFFAOYSA-N 324.421 2.387 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 66807497 RGTWENVXQQXKMQ-OSAQELSMSA-N 323.414 2.234 0 40 DEAB CCOC(=O)C1=C(C)Oc2nc(C)[nH]c(=O)c2[C@H]1c1ccco1 15082939 PUMWZFWDFQULAS-LBPRGKRZSA-N 316.313 2.033 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)Nc2c(C)nn(C)c2C)c1 6975259 JHQUDDCTKVRXLC-UHFFFAOYSA-N 307.375 2.040 0 40 DEAB CC(=O)c1cccc(NC(=O)c2ccccc2-n2cnnn2)c1 6905928 UOQWJVUHNDRIOC-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB COCCNC(=O)N1CCC[C@H](Cc2ccccc2OC)C1 67358660 NLXQFLMDAIZWDO-CQSZACIVSA-N 306.406 2.306 0 40 DEAB Cc1ccc([C@@H]2CN(CC(=O)N3CCCC3)CCO2)c(C)c1 75787394 VTSQSQCNWUSEDQ-KRWDZBQOSA-N 302.418 2.299 0 40 DEAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)O)cc1 84774056 QGNFSIYBAOSRSP-JOZWUWCOSA-N 316.357 2.124 0 40 DEAB CC(=O)N[C@H](CSc1cc(C)nc2ccc(F)cc12)C(=O)O 9423681 AQDKYUGEQMGSDG-CYBMUJFWSA-N 322.361 2.364 0 40 DEAB COc1ccc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c(C)c1 95411703 KXFCHXVOTKNYIE-HUUCEWRRSA-N 304.390 2.168 0 40 DEAB O=C1c2nccnc2C(=O)N1c1ccc(OC(F)(F)F)cc1 22073239 UOKYIPGNYDMIGQ-UHFFFAOYSA-N 309.203 2.176 0 40 DEAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1CCC[C@@H]1O 95441141 ZPXAZDMVHXVHPL-MFKMUULPSA-N 321.801 2.060 0 40 DEAB COC[C@@H](O)CNc1nc2ccccc2nc1N1CCCCC1 96486663 IHZKVFCDXNHNNN-ZDUSSCGKSA-N 316.405 2.039 0 40 DEAB CC(=O)Nc1cc(C(=O)O[C@H](C)Cn2cccn2)ccc1F 83796681 QFFGFOYCQPYTSG-SNVBAGLBSA-N 305.309 2.226 0 40 DEAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccoc1C 69567213 UNRGXGJCGSPUEP-QGZVFWFLSA-N 317.341 2.329 0 40 DEAB O=c1onc(-c2cccnc2)n1Cc1ccn(-c2ccccc2)n1 69700405 HROXMSZYKRCADS-UHFFFAOYSA-N 319.324 2.132 0 40 DEAB CN(C(=O)[C@H]1CCCN(CC(F)(F)F)C1)c1ncccc1F 91957018 REGVZFVNFHXXNL-JTQLQIEISA-N 319.302 2.458 0 40 DEAB Cc1cc(C)n(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)n1 71804281 PEDMBEZCPZNODQ-HUUCEWRRSA-N 323.462 2.013 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)NCc2cn3cccc(C)c3n2)n1 71896312 HCUGKXBRZPMDAL-CQSZACIVSA-N 311.389 2.333 0 40 DEAB COC(=O)[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1F 95433577 XEVBIHOBUQWPOI-AWEZNQCLSA-N 308.353 2.059 0 40 DEAB C/C=C/C=C/C(=O)NCc1ccc(CN2CCC(O)CC2)cc1 71907652 CBJRPVKDYAVFFF-MQQKCMAXSA-N 314.429 2.392 0 40 DEAB CC[C@@H](NCc1ccccc1CN1CCC[C@H](C)C1)C(N)=O 71902480 DMHJUSWQVZIRRT-WMLDXEAASA-N 303.450 2.272 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccn(C)n3)cc2c1 32906232 KRUAOYPDSRANKG-UHFFFAOYSA-N 300.318 2.171 0 40 DEAB COC(=O)c1cc(NC(=O)c2cc[nH]n2)ccc1Br 95984549 MWBCMGJCYDPMRE-UHFFFAOYSA-N 324.134 2.211 0 40 DEAB Cc1cccc2nc(C[S@@](=O)[C@@H](C)C(=O)NCC(C)C)cn12 97083716 FXNMEIJMCWVZAL-XMHCIUCPSA-N 321.446 2.052 0 40 DEAB COc1ccc(CNC(=O)N2CCC[C@@H]2C(C)(C)O)cc1C 95939365 BFLFETJYBMJLCK-OAHLLOKOSA-N 306.406 2.449 0 40 DEAB Cc1n[nH]c2ncc(NS(=O)(=O)Cc3ccccc3)cc12 89267793 LOMVFDRKQLTUGZ-UHFFFAOYSA-N 302.359 2.208 0 40 DEAB CCOc1ccc(Cl)cc1CCNC(=O)c1ccnn1C 89267776 XTQWLKRBMVTECE-UHFFFAOYSA-N 307.781 2.445 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](n3ccnc3)C2)cc1 75127274 XLKGLLSIDLWQKR-KRWDZBQOSA-N 312.417 2.422 0 40 DEAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 75130946 ACTBGAUKFNBERA-ZDUSSCGKSA-N 324.388 2.194 0 40 DEAB C[C@H](NC(=O)Nc1ccncc1)C1(N2CCOCC2)CCCC1 75110104 JNDCSBSBTNGXRY-AWEZNQCLSA-N 318.421 2.237 0 40 DEAB C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc2ccccc2c1 89919985 XFEUOCNPQLZOGL-QWHCGFSZSA-N 317.410 2.487 0 40 DEAB Cn1cc([C@H]2CN(Cc3ccc4ncccc4c3)C[C@@H]2CO)cn1 1553952531 CPRCOAABFHEYMR-QZTJIDSGSA-N 322.412 2.176 0 40 DEAB Cc1c2ncn(Cc3c(F)cccc3Cl)c(=O)c2nn1C 32648731 FJALCCYWKYMCKY-UHFFFAOYSA-N 306.728 2.279 0 40 DEAB CN(CC1CC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccc(F)c1 72251316 WXVXMBKVCNTLLR-GDBMZVCRSA-N 304.365 2.214 0 40 DEAB C[C@@H](C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1)c1cccs1 73118012 NVUJOYDARGLULW-VXGBXAGGSA-N 323.487 2.487 0 40 DEAB CN(C)c1ncc(-c2nc3cnccn3c2NC(C)(C)C)cn1 72342018 GKWBGXOKOTYPPU-UHFFFAOYSA-N 311.393 2.463 0 40 DEAB O=C(c1cnccn1)N1CCc2onc(-c3ccccc3)c2C1 72351051 GJXZGRHQSYVLOK-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB CCCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H](OCC)C1CC1 1062232759 NZGPUWCEKKHASF-WBVHZDCISA-N 324.465 2.489 0 40 DEAB CC(C)C(=O)Nc1cc(C(=O)NCc2cccs2)nn1C 46088997 JFOGXEGJGHYVHT-UHFFFAOYSA-N 306.391 2.006 0 40 DEAB Nc1nn(-c2ccccc2Br)nc1Br 89262271 PZAMJDZRJFFACZ-UHFFFAOYSA-N 317.972 2.375 0 40 DEAB CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 223252304 ODNXWUXNBOGPDB-HUUCEWRRSA-N 316.430 2.209 0 40 DEAB COc1ccc(NC(=S)NCCCN2CCCC2)c(OC)c1 225432942 ZMCJNTFVDCJZRS-UHFFFAOYSA-N 323.462 2.476 0 40 DEAB Cc1ccc(S(=O)(=O)NC2(CC(=O)O)CCCCC2)cc1 84147407 GISVQKLOMIXOAC-UHFFFAOYSA-N 311.403 2.451 0 40 DEAB C[C@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccco1)CC2 96201554 MEVIYMRJHYFDKR-CQSZACIVSA-N 318.417 2.272 0 40 DEAB CCN1C[C@H](COC)[C@]2(CCN(C(=O)c3occc3C)C2)C1 96215039 NJWYSKBTZFLBSJ-RHSMWYFYSA-N 306.406 2.018 0 40 DEAB CCCCC(=O)N1CCC2(CC1)C[C@H](Nc1ncccn1)CO2 96221665 JEMOFBYUAIUHQT-AWEZNQCLSA-N 318.421 2.229 0 40 DEAB CS(=O)(=O)c1ccc(F)c(C(=O)N(CC(F)F)C2CC2)c1 96409884 CWKIQGCFGYVELJ-UHFFFAOYSA-N 321.320 2.099 0 40 DEAB Fc1ccc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@H]32)cc1 247504727 GMZANJOEQUBBDF-USXIJHARSA-N 316.380 2.097 0 40 DEAB COc1cccc(C2=CCN(c3cnn(C)c(=O)c3Cl)C2)c1 253417743 KBWOFYPJZZNJPR-UHFFFAOYSA-N 317.776 2.346 0 40 DEAB Cc1cc([C@H]2CN(Cc3scnc3C)CCO2)nc(C)n1 257288691 PVEVRUDUANHZEW-CQSZACIVSA-N 304.419 2.432 0 40 DEAB Cc1cccc(N2CCC[C@@H](NC(=O)c3cncs3)C2)n1 257280040 OJFJNYKUMJLJOH-GFCCVEGCSA-N 302.403 2.245 0 40 DEAB CNC(=O)c1cn[nH]c1[C@@H]1CCN(Cc2cc(F)cc(F)c2)C1 257313646 UTMDGEAXWONMBJ-LLVKDONJSA-N 320.343 2.037 0 40 DEAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 257209704 BROWOQDMEDFDRS-LBPRGKRZSA-N 324.388 2.084 0 40 DEAB COc1ccc(C(N)=O)cc1N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 253370350 PRJBCGDKMSGXOO-KCPJHIHWSA-N 302.374 2.164 0 40 DEAB CO[C@@H]1CCCOC12CCN(C(=O)c1cncc(C)c1)CC2 257207553 BIGZYKGMTPQGJJ-OAHLLOKOSA-N 304.390 2.190 0 40 DEAB CO[C@H]1CCN(C(=O)c2cc(F)cc(F)c2)C[C@@]12CCCO2 257337542 YTFMGLRFWVHFJV-HOCLYGCPSA-N 311.328 2.375 0 40 DEAB Cc1cc(CC2CCN(C(=O)CN3CCCC3)CC2)ccn1 257250047 JKTPQLAQCQWRKB-UHFFFAOYSA-N 301.434 2.267 0 40 DEAB c1ccc(-c2ncc(CN3CCO[C@@H](Cn4cccn4)C3)o2)cc1 929574944 GAHWKZHAQAUNOF-QGZVFWFLSA-N 324.384 2.439 0 40 DEAB CC(=O)c1cccc(NC(=O)N(CCO)Cc2cccnc2)c1 69845470 DXFMJKXXXYDSGU-UHFFFAOYSA-N 313.357 2.311 0 40 DEAB CCc1nnc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)s1 33149158 TVTGPCLLHNZNEX-LLVKDONJSA-N 302.359 2.232 0 40 DEAB CCCC(C)(C)NC(=O)CSCC(=O)Nc1cc(C)on1 50809101 UKNKUGSCZKJBQE-UHFFFAOYSA-N 313.423 2.350 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1ccc2nc(C)c(C)nc2c1 53274896 BQYRPUQOWHDASK-HNNXBMFYSA-N 312.417 2.461 0 40 DEAB Cc1ccnc([C@H](Nc2cnn(C)c(=O)c2Cl)C2CC2)n1 92692697 DIRWRAANJPUFOK-GFCCVEGCSA-N 305.769 2.095 0 40 DEAB COC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(OC)cc1 95397921 HEDHILZKWBFKBP-HNNXBMFYSA-N 321.373 2.018 0 40 DEAB Cc1ccccc1N1C(=S)S[C@H]2CS(=O)(=O)C[C@@]21C 5615585 WVBTVKWNWNCBLK-AAEUAGOBSA-N 313.469 2.389 0 40 DEAB Cc1occc1-c1nn(CC(=O)N2[C@@H](C)CCC[C@H]2C)c(=O)o1 12154207 MPULFXDHRMGXHG-PHIMTYICSA-N 319.361 2.194 0 40 DEAB FC(F)(F)c1ccnc(OC2CCN([C@@H]3CCOC3)CC2)n1 1888834084 CAAATZGSCQJBKU-SNVBAGLBSA-N 317.311 2.128 0 40 DEAB CN(C)c1cccc(C(=O)N2CC(Cn3cc(Cl)cn3)C2)c1 1848818672 OTNMXNOGCGRXDQ-UHFFFAOYSA-N 318.808 2.375 0 40 DEAB COc1ccc(OCC(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 9827329 SSARXPKGNJHFHT-UHFFFAOYSA-N 312.325 2.207 0 40 DEAB Cc1nc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)c2ccncc2n1 2298049119 NGKKPGCCFHLZOK-KBPBESRZSA-N 309.417 2.254 0 40 DEAB Cc1cc(C(=O)Nc2cc(-c3cccs3)nn2CCO)no1 42384601 UOFCLOYNQHUNCQ-UHFFFAOYSA-N 318.358 2.153 0 40 DEAB Cc1cc(C)n2ncc(C(=O)Nc3cccc4cn[nH]c34)c2n1 24440174 HPIXBUWOHZIHER-UHFFFAOYSA-N 306.329 2.475 0 40 DEAB C[C@H](NC(=O)c1ccccc1O)c1ccc2c(c1)NC(=O)CO2 30001313 PFINETLYAHMKGG-JTQLQIEISA-N 312.325 2.214 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 31235976 OZUBBAZLMBNQRU-OAHLLOKOSA-N 313.401 2.477 0 40 DEAB O=C(O)[C@H]1CS[C@H](c2ccc(F)c(Br)c2)N1 138335 SSVDPXTWTDRXNH-RKDXNWHRSA-N 306.156 2.376 0 40 DEAB CCCCCNC(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O 40505345 XQKQCJKRQRFLJN-UHFFFAOYSA-N 318.421 2.117 0 40 DEAB Cc1cc(C)nc(NC(=S)NC(=O)c2ccccc2F)n1 359644 QVXPQYDGWNPPGZ-UHFFFAOYSA-N 304.350 2.359 0 40 DEAB NC(=O)[C@@H](NCCCN1CCc2ccccc21)c1ccccc1 32771742 GJQOYJRYMMAPRG-SFHVURJKSA-N 309.413 2.255 0 40 DEAB CC(C)(C)c1nc(CN2CCC(N3CCNC3=O)CC2)cs1 52216176 NVHXSRWECOSULU-UHFFFAOYSA-N 322.478 2.430 0 40 DEAB Cc1csc(N2CCN(C(=O)CCc3ccncc3)CC2)n1 52641671 JZYLIWITSGWFOP-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB O=C(Cc1cccs1)NCCNC(=O)c1ccc(Cl)cc1 32909911 RCLNLCFQUFWCJO-UHFFFAOYSA-N 322.817 2.490 0 40 DEAB COCC(=O)Nc1cccc(NC(=O)NCc2ccco2)c1 32912549 ZDYBWQZIWOAADN-UHFFFAOYSA-N 303.318 2.186 0 40 DEAB NC(=O)CCN(Cc1ccccc1)C(=O)Cc1ccc(F)cc1 53336052 YFGRRJBBRUMZRM-UHFFFAOYSA-N 314.360 2.272 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1CN1CCCC1 78726968 GMWBPSVBHOIHRC-CQSZACIVSA-N 316.401 2.158 0 40 DEAB CC[C@H]1CN(S(=O)(=O)C(C)C)CC[C@@H]1NCc1ccco1 78898853 QDRSYBZTBARSDX-ZFWWWQNUSA-N 314.451 2.208 0 40 DEAB C[C@@H](NC(=O)NCCN1CCOCC1)c1ccc(Cl)s1 47618072 GQRORTROLICXPR-SNVBAGLBSA-N 317.842 2.094 0 40 DEAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1cccnc1 47778301 GGLAGYQWDRSIKR-TZMCWYRMSA-N 302.378 2.338 0 40 DEAB O=S(=O)(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc2c(c1)OCCO2 8782725 XZJXRNMNXBJFNY-XQQFMLRXSA-N 323.414 2.172 0 40 DEAB Cc1nn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1cnn(C)c1C 25001596 VENVNXSZAXPZTO-NSHDSACASA-N 324.388 2.109 0 40 DEAB O=C(/C=C/c1ccccc1)NCCn1cnc2ccccc2c1=O 62001334 RAWRCEHMFGNGKX-ZHACJKMWSA-N 319.364 2.226 0 40 DEAB biogenic O=C(NCc1cccc(O)c1)Nc1ccc(-n2nccn2)cc1 56618185 BQKKUVSKYQNVDQ-UHFFFAOYSA-N 309.329 2.295 0 40 DEAB CCCS(=O)(=O)N1CCN(c2ccccc2Cl)CC1 57432539 PSCMXTUIEPSVNJ-UHFFFAOYSA-N 302.827 2.202 0 40 DEAB CCOc1cn(C)c(C(=O)NCc2ccccc2Cl)cc1=O 23135566 VHFASNVNRBTPOZ-UHFFFAOYSA-N 320.776 2.367 0 40 DEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 103066648 ZMLDTXRACVBEPP-STQMWFEESA-N 318.348 2.248 0 40 DEAB CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1c1cccs1 71839280 WDGJWZUNSJBHGG-LLVKDONJSA-N 305.407 2.222 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1ccccc1Cl 71823454 QKCACFDDBHDIGJ-MDQMCFMNSA-N 306.793 2.466 0 40 DEAB O=C(NCCCCN1CCOCC1)c1cc(Cl)ccc1F 48285295 FQWFUQHOWJBCBE-UHFFFAOYSA-N 314.788 2.321 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101705784 MZDWTFWXEOQWIQ-RVMXOQNASA-N 307.733 2.241 0 40 DEAB O=C(O)c1ccc(CNC(=S)NC(=O)c2ccccc2)cc1 20151449 KSGJZZGIRFOWMK-UHFFFAOYSA-N 314.366 2.189 0 40 DEAB CCCCOc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101347846 RISIHKKZWLXCEN-ZDUSSCGKSA-N 314.345 2.440 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[C@H](O)COC[C@@H]1CCCO1)C2 101210773 QDJWMGKQXHYRSH-FDPKGLCPSA-N 311.466 2.347 0 40 DEAB CCCc1nnc(S)n1CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 58391678 PMFRMOSYVOFKNO-SDDRHHMPSA-N 310.467 2.460 0 40 DEAB COc1cccc(CCNCc2c(C)nn(C)c2N(C)C)c1 58416333 OUDNDZWZJPUBNF-UHFFFAOYSA-N 302.422 2.135 0 40 DEAB CC(C)OCCCNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 28662964 SRGCEIATRPZNQX-CQSZACIVSA-N 322.405 2.063 0 40 DEAB COC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 11106061 ISWXJTPQJYZJIE-SECBINFHSA-N 304.371 2.385 0 40 DEAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)O)C3)[nH]n2)cc1 45948705 VTOGFNQQLSYPHC-CYBMUJFWSA-N 313.357 2.322 0 40 DEAB CC[C@H](C)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 12892978 JIVOQGRASFUYOC-JTQLQIEISA-N 321.373 2.430 0 40 DEAB biogenic Cn1cc(NC(=O)c2ccc(Br)cc2O)ccc1=O 49448689 OALUIVAYKDNDCW-UHFFFAOYSA-N 323.146 2.106 0 40 DEAB COc1ccc(Br)cc1CNC(=O)c1cc[nH]n1 64419188 CFGGEIGBEDLZIE-UHFFFAOYSA-N 310.151 2.111 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)NCc2ccsc2)c1 13724781 BLLKETOAXNBJAS-UHFFFAOYSA-N 313.400 2.244 0 40 DEAB CN(CCNC(=O)c1ccn(-c2cccc(Cl)c2)n1)C1CC1 65495237 QUWKKWYWXKZGOJ-UHFFFAOYSA-N 318.808 2.350 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1CCOc1ccccc1F 14014971 QISGTCLKCWCJHK-MRXNPFEDSA-N 314.360 2.117 0 40 DEAB COc1ccc(NCc2cc(OC)c3c(c2)OCCO3)cn1 83962653 CRUAWOQOUMXQMW-UHFFFAOYSA-N 302.330 2.482 0 40 DEAB Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc1N 9220369 JGXVYNDEQCOABW-UHFFFAOYSA-N 312.369 2.393 0 40 DEAB O=C(NC1CCCCC1)N1CCN(Cc2ccccn2)CC1 20543056 SYKWVORLVQDZJT-UHFFFAOYSA-N 302.422 2.242 0 40 DEAB Cc1sc2nc(NCCN3CCCC3)n(C)c(=O)c2c1C 69195217 PBSMSYVKDHNYSF-UHFFFAOYSA-N 306.435 2.120 0 40 DEAB CCCCn1nc(C)c(CNC[C@@H]2CN(C)CCO2)c1Cl 69389911 RUXIMNCNNNESCR-CYBMUJFWSA-N 314.861 2.065 0 40 DEAB CC(C)[C@H](C(=O)N[C@@H]1CCc2ccccc21)N1CCCC1=O 69349336 SRRGRIONEHIFCN-NVXWUHKLSA-N 300.402 2.437 0 40 DEAB CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(OC)ccc21 22235883 RJJNTGKIILXQLN-UHFFFAOYSA-N 300.358 2.266 0 40 DEAB COC(=O)c1cc(C(=O)NCC2CCC2)n(-c2ccccc2)n1 69452012 AUGXVBTYMJCADT-UHFFFAOYSA-N 313.357 2.189 0 40 DEAB CC[C@@H]1CN(C(=O)NCc2cnn(-c3ccccc3)c2)CCO1 69415055 KWRDSYGPTFWKDS-MRXNPFEDSA-N 314.389 2.193 0 40 DEAB O=C1OCCN1CCN1CCO[C@H](c2ccccc2Cl)C1 69529613 OFTFUULOFSMGTQ-AWEZNQCLSA-N 310.781 2.166 0 40 DEAB Cc1ccccc1C1(CNC(=O)NCCC(=O)NC(C)C)CC1 69568678 KFQHNWGPDIHHCX-UHFFFAOYSA-N 317.433 2.241 0 40 DEAB c1ccc(N2CC[C@@H](NCc3c[nH]nc3-c3cccnc3)C2)nc1 96494395 AKSIWQAFLHCOEM-MRXNPFEDSA-N 320.400 2.235 0 40 DEAB COC(=O)[C@](C)(NC(=O)c1ccccn1)c1cc(F)ccc1F 96403334 IKEMDVQVOSFGFP-MRXNPFEDSA-N 320.295 2.178 0 40 DEAB CC(C)N(CC(F)(F)F)C(=O)CN1CCO[C@H]2CCCC[C@@H]21 70693927 FVVQACVWZMAHRA-STQMWFEESA-N 322.371 2.429 0 40 DEAB Nc1nc(COC(=O)c2ccoc2)nc(Nc2ccccc2)n1 8706777 QVLFLMDENKSSSB-UHFFFAOYSA-N 311.301 2.147 0 40 DEAB CCCc1cc(NC(=O)CNC(=O)c2ccc(Cl)cc2)n[nH]1 95399927 YQWOXWIMUHLYQN-UHFFFAOYSA-N 320.780 2.384 0 40 DEAB COCc1ccc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)cc1 72310473 KQBLSCDGTZSHMM-INIZCTEOSA-N 318.417 2.387 0 40 DEAB O=C(O)c1nn(C2CCCC2)cc1I 72339384 JXEQPAKHKOUHCX-UHFFFAOYSA-N 306.103 2.301 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3ccc(CO)o3)CC2)cc1 97235442 QYJZMLRBFVDULI-UHFFFAOYSA-N 314.385 2.038 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 84721527 YWFWLDDRGJJNLV-XHDPSFHLSA-N 321.373 2.165 0 40 DEAB C[C@H](OC(=O)c1cn(C)nc1C(F)(F)F)C1CCOCC1 95450049 SMRYIGFZKAHNSY-QMMMGPOBSA-N 306.284 2.411 0 40 DEAB Cc1ccc(N(C)CCN2CCCS2(=O)=O)cc1Cl 95972561 FBGIWAHOBJGXSH-UHFFFAOYSA-N 302.827 2.120 0 40 DEAB Cn1cc(NC(=O)N(CCO)[C@@H]2CCCc3ccccc32)cn1 85552022 RVVCHNDAYTVSKX-MRXNPFEDSA-N 314.389 2.324 0 40 DEAB CCS[C@@H]1CCCC[C@H]1Nc1ncc(S(N)(=O)=O)s1 75105371 PUWLGPOKNJFWOY-RKDXNWHRSA-N 321.493 2.267 0 40 DEAB COc1ccc2cc(C(=O)Nc3ccnc4ccnn34)[nH]c2c1 75136624 WUKGYLQNZNUCLF-UHFFFAOYSA-N 307.313 2.472 0 40 DEAB CC(C)Oc1ccc([C@@H](O)CNC(=O)CN2CCC[C@@H]2C)cc1 89929868 ZVLHZHHWEIBEHO-YOEHRIQHSA-N 320.433 2.108 0 40 DEAB CCOc1ccccc1N1C[C@H](C(=O)N2CCCCC2)CC1=O 39918332 KSPVMFRAXRQSKY-CQSZACIVSA-N 316.401 2.451 0 40 DEAB O=S(=O)(c1ccc(N2CCCCC2)nc1)N1CCCCC1 39771209 PTWNLQZBSRKPCS-UHFFFAOYSA-N 309.435 2.247 0 40 DEAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2nc(C)no2)cc1 60241678 BVMOYPYYLQWNCX-JTQLQIEISA-N 317.345 2.227 0 40 DEAB CCS[C@H]1CC[C@H](N(C)CC(=O)NCc2cccnc2)C1 76067768 CIETUICBKGCLBI-GJZGRUSLSA-N 307.463 2.304 0 40 DEAB CS[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 74762811 IGGUJSGWLPIIOO-YJNKXOJESA-N 306.431 2.228 0 40 DEAB O=C(CCCn1cnnn1)NC(c1ccccc1)c1ccccc1 524735808 ZISQBXPDRWCQPF-UHFFFAOYSA-N 321.384 2.359 0 40 DEAB CC(C)[C@@H](C(=O)Nc1cnn(C)c1)N1Cc2ccccc2C1=O 79501833 AEXVNMXFDOOVIS-HNNXBMFYSA-N 312.373 2.039 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@@H]1CCCC[C@H]1NC(=O)CN 79409329 WLGVPGAFQHBHQX-CHWSQXEVSA-N 313.442 2.018 0 40 DEAB COc1ccc(NC(=O)CNC(=O)Nc2cccc(C)c2)cn1 32657887 KVLAVNXRDOBYGK-UHFFFAOYSA-N 314.345 2.159 0 40 DEAB C[C@H](NC(=O)/C=C/c1ccncc1)C(=O)N1CCCC[C@H]1C 79050642 CYVJEIDAGSIOOO-AFJNRPGYSA-N 301.390 2.001 0 40 DEAB CCOc1ccc(CNC(=O)N2CC[C@@H](CN(C)C)C2)cc1C 129967766 XQWGUYQZACARQL-INIZCTEOSA-N 319.449 2.487 0 40 DEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc2oc(C)nc2c1 32721449 DQAUGRZWSAXMFM-AMIZOPFISA-N 304.350 2.158 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)N2CCCC2)[C@H]1c1cccc(F)c1 72241946 YJGQCONXTVFVOE-GDBMZVCRSA-N 304.365 2.358 0 40 DEAB CC(C)N(C(=O)CN)C1CCC(NC(=O)OC(C)(C)C)CC1 79391126 OMKVBVRLIJKGES-UHFFFAOYSA-N 313.442 2.018 0 40 DEAB COC[C@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 45456232 CKJLQVAXMQKLBO-JTQLQIEISA-N 323.780 2.474 0 40 DEAB N=C(N)SCc1nc(-c2cccc(OC(F)F)c2)no1 89262063 IBLVWDXWBQHAPJ-UHFFFAOYSA-N 300.290 2.465 0 40 DEAB C[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O)c1ccncc1 225813907 CWSYASBLODJANY-PMTDCRIQSA-N 300.358 2.172 0 40 DEAB CC(C)(C)C(=O)NCCNc1cc(Br)ccn1 195567331 AYXHOQTXIFSGPG-UHFFFAOYSA-N 300.200 2.418 0 40 DEAB COc1ccccc1NC(=O)CS(=O)(=O)c1ccc(C)cc1 48549099 VUPGFGWXNLGCMP-UHFFFAOYSA-N 319.382 2.416 0 40 DEAB COc1cncc(O[C@@H]2CCCN(C(=O)c3cccs3)C2)n1 225497690 ODUVYKBABAMMSC-LLVKDONJSA-N 319.386 2.230 0 40 DEAB C[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C[C@@H](C)O1 96192519 LTTBCGVBZCGEBS-QFSBIZTOSA-N 320.364 2.345 0 40 DEAB CCS(=O)(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 96427737 STECSDOQFAPWSJ-OAHLLOKOSA-N 318.398 2.306 0 40 DEAB C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NCC(=O)N(C)C 96413772 UVASUOKLNBPYTA-SNVBAGLBSA-N 316.323 2.088 0 40 DEAB O=C1c2ccc(F)cc2C(=O)N1Cc1noc2c1CCCC2 96452643 LUNSPOFTDUEXTO-UHFFFAOYSA-N 300.289 2.489 0 40 DEAB O=C1[C@H]2CN(CC3CCOCC3)C[C@@H]2CN1c1ccccc1 96053637 FKWLDJUCPWYZAJ-WBVHZDCISA-N 300.402 2.008 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccoc1C 96412353 YWTKBYBELSLDRJ-DOMZBBRYSA-N 321.421 2.424 0 40 DEAB O=C(N[C@H]1CCCc2occc21)[C@H]1CCCN1C(=O)C1CC1 96405398 GIJIVTMIYRXMNQ-UONOGXRCSA-N 302.374 2.174 0 40 DEAB c1csc(N[C@H]2CO[C@]3(CCCN(C4CCOCC4)C3)C2)n1 96223361 AIZWZCWIFNPLHE-CZUORRHYSA-N 323.462 2.358 0 40 DEAB CCc1n[nH]c(=O)c(C(=O)N2CCc3sccc3C2)c1CC 96462864 NYBGNHWGTJMIBS-UHFFFAOYSA-N 317.414 2.155 0 40 DEAB CSC[C@@H](C)NS(=O)(=O)c1ccc(C)c(N(C)C)c1 96472661 OOBGHXLNZDHULU-LLVKDONJSA-N 302.465 2.091 0 40 DEAB COc1ccc(CN2CCn3cc(Cn4cccn4)nc3C2)cc1 96059435 OXOUJWWWICEVFQ-UHFFFAOYSA-N 323.400 2.152 0 40 DEAB O=C(C1CCOCC1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257300492 RUNDBDWVMWPAIP-CQSZACIVSA-N 314.389 2.091 0 40 DEAB C[C@@]12CCN(C(=O)c3cccc4c3OCCO4)[C@@H]1CC[C@@H](O)C2 257258630 KUVXAFHWTMVMFM-DWQUBVKVSA-N 317.385 2.223 0 40 DEAB CCCn1nccc1-c1cncc(C2CCN(C(C)=O)CC2)n1 257282648 OUQGWQSEVNMENU-UHFFFAOYSA-N 313.405 2.476 0 40 DEAB O=C(Nc1ccc2cn[nH]c2c1)c1cc(-n2cccn2)ccn1 85558286 DVYNLHRSLGIDFV-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575405702 UHDZKHVFOCCUSP-CQSZACIVSA-N 306.431 2.485 0 40 DEAB CCc1ccc(NC(=S)N[C@]2(C)CCS(=O)(=O)C2)s1 575421092 GLWLTHMVXSBDQA-GFCCVEGCSA-N 318.489 2.174 0 40 DEAB O=C(NCC1(OCCO)CCSCC1)Nc1ccccc1 828765406 MZIULDZGTBKTNT-UHFFFAOYSA-N 310.419 2.083 0 40 DEAB C[C@H](c1ccccc1)N1CCN(c2nccc(N(C)C)n2)CC1 882810829 FFWAHGOLYCZDTG-OAHLLOKOSA-N 311.433 2.426 0 40 DEAB NC(=O)CCCNC(=O)[C@H](Oc1ccccc1)c1ccccc1 49759216 JYIYFPKHSBRHTD-QGZVFWFLSA-N 312.369 2.188 0 40 DEAB Cc1c(NC(=O)c2ccc(N)cc2)c(=O)n(-c2ccccc2)n1C 50398 UPILTCFJXWMRIU-UHFFFAOYSA-N 322.368 2.319 0 40 DEAB O=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)N1 527502 PDVPLITVGXYXQU-XCVCLJGOSA-N 306.119 2.111 0 40 DEAB O=C1CO[C@H]2CN(C3CCCCC3)C[C@@H]2N1Cc1ccccc1 213616658 YCSORDVFNGGPRH-ROUUACIJSA-N 314.429 2.431 0 40 DEAB COc1ccc(OC)c(C(=O)Nc2sccc2C(N)=O)c1 13972531 UDISCZCTFGDJRH-UHFFFAOYSA-N 306.343 2.117 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nn3cnnc3)cc2)cc1 14405690 CGQVTIZBNKGZMS-UHFFFAOYSA-N 321.340 2.223 0 40 DEAB CCn1cc(CN2C[C@@H]3CCCN3C[C@H]2CCSC)cn1 19524997 GZRFNHZMKJFCEE-JKSUJKDBSA-N 308.495 2.305 0 40 DEAB Cc1nc(C)c(C(=O)N2CC[C@H](C(=O)NC3CCCC3)C2)s1 19747841 COFFOKQSAXTGAS-LBPRGKRZSA-N 321.446 2.281 0 40 DEAB O=C(Nc1ccc2c(c1)C(=O)NCCO2)c1ccccc1F 9171742 FYMITXSXCOQIPB-UHFFFAOYSA-N 300.289 2.200 0 40 DEAB Cc1c(Br)ccc(N2C(=O)CC(=O)NC2=O)c1C 16249308 SVVFZWXAQLHJFH-UHFFFAOYSA-N 311.135 2.039 0 40 DEAB CC(C)[C@@H](Cn1cncn1)NC(=O)c1nc2ccccc2s1 575615681 GDPLKFMHCCRANY-GFCCVEGCSA-N 315.402 2.342 0 40 DEAB CC(C)(C)C(=O)N[C@H]1CCCN(c2cc(C3CC3)ncn2)C1 641359377 OUEUCHMGFJNZMP-ZDUSSCGKSA-N 302.422 2.485 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)c2cnccn2)cc1OC 40487952 LGSUHHHUCAHQLN-CQSZACIVSA-N 313.357 2.471 0 40 DEAB O=C1NC(=O)[C@@H]2[C@@H]1ON(c1ccc(Cl)cc1)[C@H]2c1ccco1 100885159 JOZFRLCLDICRRS-AVGNSLFASA-N 318.716 2.067 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NCCO[C@H]1CCCC[C@@H]1C 40534911 KWFBKAFJKVGIAY-LRDDRELGSA-N 307.438 2.291 0 40 DEAB Cc1ccc(NC(=O)[C@H](CC(=O)O)NCc2ccco2)cc1 236776 HJTPYNOUWNZJET-AWEZNQCLSA-N 302.330 2.160 0 40 DEAB CCCn1nc(C(=O)OCc2nc3ccccc3o2)ccc1=O 32719066 OPHPBLRRRBKWOK-UHFFFAOYSA-N 313.313 2.152 0 40 DEAB CC[C@H]1CCc2sc(C(=O)N3CC[C@H](C(N)=O)C3)cc2C1 41129036 KBUUZPZUFVFCTR-QWRGUYRKSA-N 306.431 2.210 0 40 DEAB CC(C)(C)CCNC(=O)Cn1nc(-c2ccccc2)oc1=O 41313550 MCYQSMJLCKNJEQ-UHFFFAOYSA-N 303.362 2.056 0 40 DEAB NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 555679 XJZIZFYBOXKTPJ-UHFFFAOYSA-N 324.789 2.021 0 40 DEAB CCCCOC(=O)NC(=O)c1cc2cccc(OC)c2oc1=O 1614346 RESNLKFVXUFBJW-UHFFFAOYSA-N 319.313 2.468 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2C[C@@H](N(C)C)[C@H](C)C2)c1 78894522 CFVSJHPZYGKMET-CXAGYDPISA-N 315.417 2.058 0 40 DEAB CCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C 12411015 RZGDUDBJIQWFKY-UHFFFAOYSA-N 324.450 2.362 0 40 DEAB biogenic C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1 54009978 GPKYBRNDQHECQE-SNVBAGLBSA-N 313.332 2.415 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1cccnc1-n1cccn1 23171483 KKLNIUPGNNRYTM-UHFFFAOYSA-N 311.345 2.443 0 40 DEAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(Cc2ccccc2)CC1 23249084 FZDIJIVVJXOTDE-HNNXBMFYSA-N 303.450 2.107 0 40 DEAB COc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)cc1F 6538518 NBTUHUUBIFZRSS-JTQLQIEISA-N 309.337 2.438 0 40 DEAB Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)NC(=O)NC1CC1 12534767 SBLKWWQKOAGALZ-LBPRGKRZSA-N 301.390 2.124 0 40 DEAB CC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCCCO3)CC1 24858567 UCCCBWSJUCMBTQ-UHFFFAOYSA-N 318.373 2.045 0 40 DEAB O=C(c1ccncc1)N1CCN(CCCc2ccccc2)CC1 57434731 OCIJMNCRNWHSCG-UHFFFAOYSA-N 309.413 2.472 0 40 DEAB CO[C@@H]1[C@@H](C)[C@H](NC(=O)c2cnc3c(c2)c(C)nn3C)C1(C)C 108375997 VHVFSAWCQVUQKJ-QCZZGDTMSA-N 316.405 2.066 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC(c3ccccc3)CC2)CC1=O 44381490 VTDGGLCANILTMQ-MRXNPFEDSA-N 300.402 2.261 0 40 DEAB Cc1noc([C@H](C)N2CCN(Cc3ccccc3F)CC2)n1 44584601 JALXBGNFUHPNPW-LBPRGKRZSA-N 304.369 2.396 0 40 DEAB O=c1oc2ccccc2n1CCCS(=O)(=O)c1ccccc1 58356070 FSLXDRRGPOUJJE-UHFFFAOYSA-N 317.366 2.459 0 40 DEAB CC1(CCNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)OCCO1 102207648 PMWHIWSDOLOLOA-HRCADAONSA-N 316.401 2.167 0 40 DEAB Cc1cc(C)n2nc(SCC(=O)N3CCCC[C@@H]3C)nc2n1 3392575 YBRYFHZKRRKWDU-NSHDSACASA-N 319.434 2.234 0 40 DEAB COC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 69149050 UAHHBDRHZYHDAB-GFCCVEGCSA-N 318.373 2.434 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 3346936 KTEATNOTFOTAKL-VXNVDRBHSA-N 310.400 2.294 0 40 DEAB CCCCNC(=O)CSc1nc2ccc(C)cc2c(=O)n1C 48342800 XIUSROQNNSBFCE-UHFFFAOYSA-N 319.430 2.250 0 40 DEAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)NC2CCCC2)n1 11443417 ITOOFFFVLLEJOZ-JTQLQIEISA-N 309.435 2.262 0 40 DEAB Cc1ccc(Cn2nc(C)c(/C(O)=N/S(C)(=O)=O)c2C)cc1 48479558 RELCQIYIHZBSRF-UHFFFAOYSA-N 321.402 2.121 0 40 DEAB CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C 48693872 GADGJHDJGSMWQS-UHFFFAOYSA-N 309.167 2.088 0 40 DEAB CNC(=O)COc1ccc(CNCc2ccc(F)c(F)c2)cc1 48781931 ODSISYNNDJJMGV-UHFFFAOYSA-N 320.339 2.379 0 40 DEAB O=S(=O)(NCc1ccc(-n2ccnc2)cc1)c1ccccc1 22512071 LLWQEXMHAWSLCI-UHFFFAOYSA-N 313.382 2.351 0 40 DEAB CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c1 4380961 YFSIDMCOOIWPEQ-XQHKEYJVSA-N 305.355 2.001 0 40 DEAB Cc1nc(S(=O)(=O)NC2CC=CC2)sc1Br 93019508 HUBAQNDUTFNVKI-UHFFFAOYSA-N 323.237 2.211 0 40 DEAB Cc1cc(NC(=O)NC[C@@H]2CCCO2)n(-c2ccccc2)n1 65433682 KMAVVYNYPKEHGI-AWEZNQCLSA-N 300.362 2.481 0 40 DEAB COc1ccc(N(C)C(=O)c2cccc(C[S@@](C)=O)c2)cn1 65592064 LBDTXDUKHTZVMP-QFIPXVFZSA-N 318.398 2.245 0 40 DEAB O=C(NCc1cccnc1)NCc1ccccc1-n1cccn1 65606940 BNTUDJFPOYXTTA-UHFFFAOYSA-N 307.357 2.267 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 6551882 URAPXZQZWDQQPN-UHFFFAOYSA-N 317.370 2.274 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2noc(CC(C)C)n2)c1 71875868 OREBDDDHSVNLKB-CQSZACIVSA-N 303.410 2.438 0 40 DEAB CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1 6654455 ROYINPXQJHRMET-UHFFFAOYSA-N 321.373 2.300 0 40 DEAB O=C(NCc1ccccc1)c1ccc(Cl)cc1-n1cnnn1 20735009 GEIKIHODRMXXOY-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CC(C)Oc1cccc(CC(=O)N(CC(N)=O)C2CCCC2)c1 71831452 KJOLLRFAMPIUGU-UHFFFAOYSA-N 318.417 2.273 0 40 DEAB Cc1nc(-c2ccccc2)sc1NC(=O)[C@@H]1CN(C)CCO1 96010747 XOTDDPVWKNXMRY-ZDUSSCGKSA-N 317.414 2.388 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)CCOCC(F)(F)F)c1 71869781 UGUXNXGNGNDXGY-GFCCVEGCSA-N 319.327 2.152 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)[C@H](C)N2CCCCC2)cc1 7780753 NPPKNXPTBJIZTD-HNNXBMFYSA-N 317.433 2.266 0 40 DEAB C[C@H]1CN(CCC2CCN(Cc3c[nH]cn3)CC2)C[C@H](C)O1 93844314 CDVYWZUPBTVDOH-GJZGRUSLSA-N 306.454 2.121 0 40 DEAB NS(=O)(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 7888979 IBLDLJHEQIKBNG-UHFFFAOYSA-N 316.382 2.075 0 40 DEAB CCOc1ccc(CCNC(=O)c2cnccn2)cc1OCC 7982303 SFIXKWWVMAMKJI-UHFFFAOYSA-N 315.373 2.247 0 40 DEAB CCCCCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21 71908787 WINNZNDQFCBBTE-UHFFFAOYSA-N 324.446 2.406 0 40 DEAB Cc1nnc2sc(Cc3ccc4c(c3)CCCC4)nn2c1=O 8394037 KPHUNZUOUXSXDR-UHFFFAOYSA-N 312.398 2.324 0 40 DEAB CCOc1ccc(-c2nnc(SCC(=O)N(C)C)o2)cc1 8340642 KPPWORRSZBJETR-UHFFFAOYSA-N 307.375 2.316 0 40 DEAB Cn1cc([C@@H]2CCCN2Cc2nc(-c3ccccn3)no2)cn1 71799293 AZLCSEUFRSKRJF-AWEZNQCLSA-N 310.361 2.202 0 40 DEAB O=C(Nc1ccc(Br)cc1O)c1cc[n+]([O-])cc1 71956617 AOHICNKVSPCBPP-UHFFFAOYSA-N 309.119 2.040 0 40 DEAB COc1c(CN[C@@H]2CCN3CCCC[C@H]23)c(C(C)C)nn1C 69417282 MVSYIVHMZHCGGZ-HUUCEWRRSA-N 306.454 2.269 0 40 DEAB Cc1cc(-c2nnc3sc(-c4cc(C(C)C)n[nH]4)nn23)[nH]n1 22502080 FXLQWKMTALEJKT-UHFFFAOYSA-N 314.378 2.398 0 40 DEAB COC(=O)N1CCCN(C(=O)Nc2c(F)cccc2F)CC1 69595698 IVKVHPANHUMHLY-UHFFFAOYSA-N 313.304 2.271 0 40 DEAB Cc1noc(C)c1CNC(=O)NCCN(C)C1CCCCC1 69592586 JRMPQPCXSJDAIZ-UHFFFAOYSA-N 308.426 2.355 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@H](n2ccnc2)C1 69670313 KVGKJHWPQTVHLD-DOMZBBRYSA-N 315.421 2.201 0 40 DEAB CC(C)(C)[C@@H](O)CN1CCN(C(=O)c2ccc(Cl)o2)CC1 69774332 ONVJNHRRJPCTHG-LBPRGKRZSA-N 314.813 2.098 0 40 DEAB O=C(OCC(F)(F)F)N1CCN(c2ccc(O)cc2)CC1 87304440 JBIWPKURWFJJPK-UHFFFAOYSA-N 304.268 2.213 0 40 DEAB NC(=O)CN(CCC1CCCCC1)c1ccc2nccnc2n1 95972075 NWCHTKHAGHYWKJ-UHFFFAOYSA-N 313.405 2.287 0 40 DEAB O=c1cnc2cc(F)c(F)cc2n1Cc1nccn1C(F)F 95971546 QBKRVOZKAQDHHJ-UHFFFAOYSA-N 312.226 2.315 0 40 DEAB COc1ccc(Cl)cc1/C=C/C(=O)N1CC(n2ccnn2)C1 95997932 MPIZSUMEVSZZLN-GORDUTHDSA-N 318.764 2.037 0 40 DEAB O=C(Nc1cccnc1)N1CCC([C@@H](O)C(F)(F)F)CC1 89794064 KADKVZJMOUARAY-LLVKDONJSA-N 303.284 2.249 0 40 DEAB CC(C)Oc1ncccc1NC(=O)N[C@@H]1CCc2[nH]ncc2C1 89887961 HZPFBSCSGLCNSV-GFCCVEGCSA-N 315.377 2.271 0 40 DEAB CC[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1 89947945 UMPIRJMXXVGCNL-ZYHUDNBSSA-N 307.419 2.262 0 40 DEAB CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)N(C)CC(N)=O)c1 76093880 HLAXYUDBFAEYPN-SNVBAGLBSA-N 311.813 2.354 0 40 DEAB COc1ccc(-c2csc(CNC(=O)c3cnn[nH]3)c2)cc1 76094241 ABHCFRAZQZUSNV-UHFFFAOYSA-N 314.370 2.472 0 40 DEAB Cc1c(CN(C)c2cc(N3CCCCC3)ncn2)cnn1C 65405900 PEWQITIHLRZZCS-UHFFFAOYSA-N 300.410 2.145 0 40 DEAB CC(C)(C)OC(=O)N[C@H](CCCCO)C(=O)OC(C)(C)C 38530107 QGRZGCDRSJDGOA-LLVKDONJSA-N 303.399 2.384 0 40 DEAB COCc1noc(-c2ccc(N3CCCC[C@H]3COC)nc2)n1 39372158 NNDVFJWAFPWXBJ-ZDUSSCGKSA-N 318.377 2.283 0 40 DEAB CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2cncs2)n1 72388483 YIZXPRRITRKXTL-HNNXBMFYSA-N 317.418 2.435 0 40 DEAB CCOC(=O)CN(CC1CC1)C(=O)c1nc(C)n2ccccc12 78097136 CHSIEUAIHGCMAA-UHFFFAOYSA-N 315.373 2.058 0 40 DEAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CO)n2)n1 72375447 COBHDCLOQCPRJL-LBPRGKRZSA-N 318.402 2.246 0 40 DEAB COC(=O)c1occc1COc1cnn(C)c1C(F)(F)F 521395016 QGUHLFWBHJDFDU-UHFFFAOYSA-N 304.224 2.398 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCO[C@H](c2ccccn2)C1 72385403 KZOXHHPNAZESDP-INIZCTEOSA-N 300.333 2.363 0 40 DEAB CCOC(=O)C1=NN(c2ccc(CC)cc2)[C@@](C)(C(=O)O)C1 71979667 NHRKKOSEISKNEA-MRXNPFEDSA-N 304.346 2.222 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cnn(C)c1 72336938 ZNSCYIHSRZYBSV-DZGCQCFKSA-N 308.389 2.033 0 40 DEAB CSCc1cccc(CNC(=O)c2ccn(C)c(=O)c2)c1 189510429 IHLGZYHJOZVHRX-UHFFFAOYSA-N 302.399 2.178 0 40 DEAB O=C1CCCN1CC[C@@H]1CN(C(=O)c2cc[nH]n2)c2ccccc21 81644919 MVTKDLZSRQUFCV-CYBMUJFWSA-N 324.384 2.166 0 40 DEAB O=C(Cc1ccccc1)NCc1cccc(CN2CCOCC2)c1 194607631 HEBGIZJYKXMROT-UHFFFAOYSA-N 324.424 2.378 0 40 DEAB CCCCOc1cc(S(=O)(=O)NC[C@H](C)O)ccc1Cl 41105605 DCMHQJSWFNHIKV-JTQLQIEISA-N 321.826 2.178 0 40 DEAB C[C@H](NS(=O)(=O)N(C)C)c1ccc(-c2cccnc2)cc1 80820684 BPPXRZHGETVHNB-LBPRGKRZSA-N 305.403 2.206 0 40 DEAB COc1cnc(O[C@@H]2CCN(Cc3cc(F)ccc3F)C2)nc1 1204220473 ALAXPPGRDMOKPC-CYBMUJFWSA-N 321.327 2.417 0 40 DEAB COc1cccc(C(=O)NCc2nccc(N3CCCC3)n2)c1 224149188 HWOZCUKKZFYZKJ-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB C[C@H](SCc1ccccc1)C(=O)NCCCN1CCOCC1 44880783 WDJNTBQGEREVDO-HNNXBMFYSA-N 322.474 2.147 0 40 DEAB CCNc1ccc(Cl)cc1C(=O)NCCc1ccnn1C 190593757 VTAIKNKWHVWCGR-UHFFFAOYSA-N 306.797 2.478 0 40 DEAB CCc1ccnc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)c1 331581817 JEQDBLKHVRBJLN-INIZCTEOSA-N 313.405 2.424 0 40 DEAB CCS(=O)(=O)[C@H](C)[C@@H](N)c1ccc(Br)cc1 96524814 CVBJEZKZUVHGJG-LDYMZIIASA-N 306.225 2.272 0 40 DEAB Cn1cc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)cn1 97378874 QYAQJJPJKSYLDL-HOTGVXAUSA-N 314.389 2.140 0 40 DEAB Cc1ncnc2c1CCN(c1cc(C(F)(F)F)ncn1)CC2 96254964 PWAKKOPZRBJYKW-UHFFFAOYSA-N 309.295 2.199 0 40 DEAB Cc1ncn(C[C@@H](O)COc2cccc3ccccc23)c(=O)c1C 97238488 LHBUBSNKWMIJJA-MRXNPFEDSA-N 324.380 2.453 0 40 DEAB Cc1noc(C)c1CNC(=O)N[C@H](C)CCc1cccn1C 96439484 GQSJPERMCYUOIT-LLVKDONJSA-N 304.394 2.450 0 40 DEAB CS[C@H](C)CCNC(=O)C(=O)Nc1cc(F)c(F)c(F)c1 95401114 ASYLSVLPWHGDBJ-SSDOTTSWSA-N 320.336 2.300 0 40 DEAB CC1CCC(N(C[C@H]2CCCO2)C(=O)c2nccnc2N)CC1 96426723 UUVNFZQMVWMKTJ-JXQTWKCFSA-N 318.421 2.259 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(C)C[C@@H](C)O 96503319 OAALXGWPEYQWPY-TZMCWYRMSA-N 306.406 2.137 0 40 DEAB Cc1cnn(-c2ccc(C(N)=O)cc2NC(=O)[C@H]2CC2(C)C)c1 97049547 JMEUNDCUURVVPT-GFCCVEGCSA-N 312.373 2.264 0 40 DEAB O=S(=O)(N[C@@H]1[C@H]2CCCC[C@H]21)c1cccc2nsnc12 247356509 XYVBJSZGPDKUQY-GDGBQDQQSA-N 309.416 2.158 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)N1CC[C@@H](c2ccn[nH]2)C1 257295602 QZCYCEFJSBGVGK-GFCCVEGCSA-N 301.394 2.379 0 40 DEAB CC(=O)N1CCN(Cc2cc(=O)oc3cc(C)c(C)cc23)CC1 25499665 ZDNBEWLQAHKNCZ-UHFFFAOYSA-N 314.385 2.074 0 40 DEAB O=C(CCN1CCCCCC1)N1CCO[C@H](c2ccncc2)C1 257234833 GVHCTTWFZSROEE-KRWDZBQOSA-N 317.433 2.248 0 40 DEAB COc1cccc(CN2CCO[C@H](c3cnccn3)C2)c1F 257296024 RAWTXEBLFNGZIU-HNNXBMFYSA-N 303.337 2.198 0 40 DEAB CC(C)N1CCC(Cc2cc(N3C(=O)OC[C@H]3C)ncn2)CC1 257263295 LPDZEBCLKQUOHM-CYBMUJFWSA-N 318.421 2.485 0 40 DEAB C[C@@]12C[C@H](CN)N(C(=O)c3cccc(F)c3)[C@@H]1CCCC[C@H]2O 257341472 ZKMPCQXRUMFSOC-YFHUEUNASA-N 320.408 2.309 0 40 DEAB CCn1nnc(C)c1C(=O)N1CCN(C)c2ccc(Cl)cc21 297740960 OHIHLEAYMKJONE-UHFFFAOYSA-N 319.796 2.356 0 40 DEAB Cc1cc(C)c2nc(O)c(CNC[C@H](O)COC(C)C)cc2c1 585291799 DDDFTYYSVWUPLD-INIZCTEOSA-N 318.417 2.433 0 40 DEAB CCCc1nc(NC(=O)c2ccccc2OCCOC)sc1CC 97373894 LSXUCVPYMNBGLV-CQSZACIVSA-N 348.468 3.936 0 40 DEAB C[C@H](O)C[C@H](C)CNC(=O)c1ccc(Br)cc1O 81796328 QTVKAFRXUWTTJO-IUCAKERBSA-N 316.195 2.292 0 40 DEAB Cc1nn(C)cc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 19583744 YYRGCSQCMRMMDT-CQSZACIVSA-N 324.388 2.163 0 40 DEAB C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530075426 IRCCWBIACGERNF-IPYPFGDCSA-N 319.405 2.441 0 40 DEAB Cc1ccc2nc(N3CCO[C@H](C(=O)NC4CC4)C3)sc2c1 1889108878 DKWBLAWLLZOJIU-ZDUSSCGKSA-N 317.414 2.089 0 40 DEAB CN(C)[C@H]1CCOC2(CCN(C(=O)Cc3ccccc3)CC2)C1 1565542022 CSKSJXYBBSXNSV-KRWDZBQOSA-N 316.445 2.331 0 40 DEAB O=C(NCc1ccccc1)NCc1nnnn1C1CCCCC1 10608622 WIEIJAZIQHDYOF-UHFFFAOYSA-N 314.393 2.178 0 40 DEAB CN(C)CCN(C(=O)/C=C/c1cccs1)C1CCOCC1 206665127 FBGGKCDVFLIQDJ-AATRIKPKSA-N 308.447 2.331 0 40 DEAB Cc1noc(C2CN(C(=O)c3cc(-c4ccccc4)on3)C2)n1 49482471 FSEBORKMCSSQAE-UHFFFAOYSA-N 310.313 2.273 0 40 DEAB Cc1cc(N2CCC(C(=O)NC3CC3)CC2)nc(C2CC2)n1 361830610 NURKRRURSATBBJ-UHFFFAOYSA-N 300.406 2.157 0 40 DEAB CCC(CC)(CNC(=O)c1cnn(-c2ccccc2)c1)C(=O)O 96483423 KAYLWYASVBANIN-UHFFFAOYSA-N 315.373 2.493 0 40 DEAB CN(C)[C@H](CNC[C@H](O)COc1ccccc1)c1cccs1 22029660 ZUTTXFHZQYLQCD-GOEBONIOSA-N 320.458 2.380 0 40 DEAB CCn1cnnc1CNC(=O)N1CCC[C@@H]1c1ccsc1 46965267 DISVZBYCWPFMNW-GFCCVEGCSA-N 305.407 2.406 0 40 DEAB Nc1nc(Cl)cc(N2CCc3[nH]nc(C(F)(F)F)c3C2)n1 71922342 IIAOLXFQBZTMGH-UHFFFAOYSA-N 318.690 2.017 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)Cc1c[nH]c2ccccc12 79052072 GLZBMQPBZDXQQR-UHFFFAOYSA-N 322.430 2.040 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2ccnc(N(C)C)c2)c1C 47108214 JFCDRRNIEIENQJ-UHFFFAOYSA-N 312.373 2.068 0 40 DEAB c1ccc2nc(N3CCCC[C@@H]3CN3CCOCC3)cnc2c1 71902737 NRGOYMSNNYNCEX-OAHLLOKOSA-N 312.417 2.321 0 40 DEAB CCc1cc(C(=O)N2CCN(c3ncccn3)CC2)sc1C 7039146 VKNHGXBSYHMGBQ-UHFFFAOYSA-N 316.430 2.371 0 40 DEAB CCn1ncc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1C 102597288 LQTDTJWFWHSHQS-DOERSZECSA-N 311.451 2.314 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3ccco3)on2)C1 24602404 KXCMUSZWGYCNKZ-LLVKDONJSA-N 318.329 2.350 0 40 DEAB CN(C)c1ncncc1NC(=O)N1CCc2ccccc2CC1 97083112 FCRYWFUZBSYOAX-UHFFFAOYSA-N 311.389 2.175 0 40 DEAB Cn1cccc1[C@@H]1CCCN1Cc1nnnn1-c1ccccc1 24990555 APPIFHVEKLGISN-INIZCTEOSA-N 308.389 2.338 0 40 DEAB O=C(CCNC(=O)c1ccsc1)Oc1ccc2c(c1)OCO2 25011178 UGGLODYVHQARFU-UHFFFAOYSA-N 319.338 2.202 0 40 DEAB CC[C@H](CO)NCc1cc(OC)c(OC)cc1Br 34991038 JXQZXYWUDANUAP-SNVBAGLBSA-N 318.211 2.327 0 40 DEAB Cc1csc(N2CCCN(C(=O)c3cc(C)on3)CC2)n1 56999512 QQXLCMJQHMKGAF-UHFFFAOYSA-N 306.391 2.100 0 40 DEAB CCC(C)(C)NC(=O)CN1CCN(c2ccccc2OC)CC1 57395531 OXQQBYTTXKMTGY-UHFFFAOYSA-N 319.449 2.122 0 40 DEAB O=C(Cn1cc(Br)cn1)N1CCc2ccccc21 47902219 NBONDMWPAMSKPW-UHFFFAOYSA-N 306.163 2.235 0 40 DEAB Cc1cccc(NC(=O)N[C@@H](C)C(=O)NCc2ccccc2)n1 97378691 HTUFEVZMVZROER-ZDUSSCGKSA-N 312.373 2.216 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)CC1(O)CCCCC1 97379445 GQWKFQVXLZIWQT-HNNXBMFYSA-N 306.406 2.010 0 40 DEAB CCc1cc(=O)n(CC(=O)NC(C)C)c(-c2cccc(F)c2)n1 57508240 KUWORNLIWPGQLR-UHFFFAOYSA-N 317.364 2.136 0 40 DEAB COCCOc1ccc(NC(=O)NCc2cccs2)cn1 57509601 PLYLYTJXWAGQBM-UHFFFAOYSA-N 307.375 2.490 0 40 DEAB C[C@H](CNC(=O)Nc1nc2ccccc2s1)N1CCOCC1 27349088 NBCRNGHCWAQNTC-LLVKDONJSA-N 320.418 2.139 0 40 DEAB O=C(NCc1ccc(O)cc1)Nc1ccc(-n2cccn2)nc1 44951934 ZWVZGAVFFBPDNA-UHFFFAOYSA-N 309.329 2.295 0 40 DEAB CC(C)n1nccc1NC(=O)CCS(=O)(=O)C1CCCC1 45083165 GZXZOEKZZWNVIT-UHFFFAOYSA-N 313.423 2.150 0 40 DEAB Cc1cc(NC(=O)CCN(C)CCOc2ccccc2F)no1 12789213 FJGBYDFGFXWFAR-UHFFFAOYSA-N 321.352 2.462 0 40 DEAB C[C@H]1CN(C(=O)CN2C(=O)c3cccc4cccc2c34)CCO1 11228326 IBBOWRKHOCQMIF-LBPRGKRZSA-N 310.353 2.047 0 40 DEAB C[C@H](O)CNCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3338914 YFKIARHCYKNUKV-ZETCQYMHSA-N 310.703 2.268 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C12CC2 101359199 MVROWXTYGUZCIV-UXOAXIEHSA-N 323.348 2.175 0 40 DEAB CC(C)CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324579 MIOZLRANOYTEQG-LBPRGKRZSA-N 324.446 2.173 0 40 DEAB O=C(COC(=O)c1ccc(Cl)cc1)NC(=O)NC1CCCC1 3512170 HGHVCQPZPYPTQH-UHFFFAOYSA-N 324.764 2.265 0 40 DEAB Cn1c(=O)n(CCC(=O)Nc2ccccc2O)c2ccccc21 12928908 PVMRIBBRMISJKI-UHFFFAOYSA-N 311.341 2.074 0 40 DEAB O=C(Oc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccco1 3651414 KMZOGWVAUXDYSK-DGCLKSJQSA-N 319.338 2.287 0 40 DEAB C[C@H]1C(=O)N(c2c(Cl)cccc2Cl)C(=O)C[S@@]1=O 4489543 WTKIXTDXVDESQT-AHGSNSTDSA-N 306.170 2.004 0 40 DEAB Cn1cnnc1S[C@@H](C(=O)N1CCCC1)c1ccccc1 5560790 KONPPQRGOTUPFA-CYBMUJFWSA-N 302.403 2.271 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)C2CC2)c1 5786330 GAHWJEOLIJLZIX-UHFFFAOYSA-N 310.419 2.374 0 40 DEAB CN(CC(=O)Nc1cccc(F)c1)CC(=O)NC1CCCCC1 6881917 OFKNZRREGIATKU-UHFFFAOYSA-N 321.396 2.145 0 40 DEAB CCOc1cc(Br)cc2cc(C(N)=O)c(=O)oc12 9236910 INCXYSUFFUGNFP-UHFFFAOYSA-N 312.119 2.053 0 40 DEAB CNC(=O)[C@H]1CN(C(=O)c2cc(C)cc(C)c2)c2ccccc2O1 15616901 SOTDRXBVWKOHBB-QGZVFWFLSA-N 324.380 2.457 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)OCc1cc(C)on1 7743413 BLMIKTNYWYWKBG-UHFFFAOYSA-N 309.343 2.134 0 40 DEAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3cn[nH]c3C)C2)c1 81844478 RQPPKVISKPECFN-LBPRGKRZSA-N 315.373 2.365 0 40 DEAB CC(C)N(CC(N)=O)Cc1ccc(OCc2ccccn2)cc1 71841045 PXUSZRMWZUCTBA-UHFFFAOYSA-N 313.401 2.356 0 40 DEAB O=C1CC[C@@H](C(=O)Nc2nc3ccccc3n2-c2ccccc2)N1 69741306 NETLKNREFGJNIG-AWEZNQCLSA-N 320.352 2.243 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc(Cl)c(F)c2)CC1 92015577 AXHIQRVVXBDSKE-CQSZACIVSA-N 315.772 2.225 0 40 DEAB COc1ccc(C)cc1/C=C/C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 71823470 FNTDMZWUZHAGKG-GMTGPXDGSA-N 316.401 2.129 0 40 DEAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)CSCC(N)=O 71853438 NJJIQJLEVUGHAX-GFCCVEGCSA-N 316.426 2.106 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 70666376 HPVJYDOAPSFAGJ-HUUCEWRRSA-N 312.369 2.409 0 40 DEAB biogenic CCOc1ccc(Br)cc1C(=O)NCCOC 8723014 HXINXHQQKPUZCQ-UHFFFAOYSA-N 302.168 2.224 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)ccn1 72287290 QLJGQAPUGYEQJH-ZDUSSCGKSA-N 316.361 2.192 0 40 DEAB COCc1cc(C(=O)N[C@H]2CCc3nc(C)cn3C2)ccc1F 72291345 SWRWYGRAABXFFV-AWEZNQCLSA-N 317.364 2.222 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)n1 72298779 OEOINRYTRCSONT-CYBMUJFWSA-N 317.414 2.019 0 40 DEAB C[C@@H](CN1CCOCC1)OC(=O)c1cnc(C(C)(C)C)s1 97107108 HYBZYMJQEMWKLH-NSHDSACASA-N 312.435 2.318 0 40 DEAB Cn1c(CNC(=O)c2ccc(Cl)cn2)nnc1C1CCC1 97141939 USQVRCYKFPVTJC-UHFFFAOYSA-N 305.769 2.061 0 40 DEAB CN(C)Cc1c(C(=O)NCC2(O)CCC2)oc2ccccc12 72307126 RUOFKYQDTMPOBW-UHFFFAOYSA-N 302.374 2.139 0 40 DEAB CN(C)C1CCN(CCN[C@@H]2CCc3ccccc3C2)CC1 95968938 ZJHUTUAICVGJJT-GOSISDBHSA-N 301.478 2.160 0 40 DEAB C[C@H](COc1cccc(F)c1)NC(=O)N(C)C[C@@H]1CCC[C@@H]1O 95974436 AZCUTKZPTHSESS-WWGRRREGSA-N 324.396 2.395 0 40 DEAB CCC(CC)N(C)C(=O)[C@@H](O)[C@H](O)c1nc2ccccc2s1 95997753 SCUNFWKDBARQSM-KBPBESRZSA-N 322.430 2.338 0 40 DEAB OC[C@H]1CCCCN1C[C@H](O)c1ccccc1Br 95973118 HFMFLDYPEACCQJ-RISCZKNCSA-N 314.223 2.329 0 40 DEAB O=C(O)C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C1CC1 95970319 NKNALVDIBHPING-GFCCVEGCSA-N 300.314 2.325 0 40 DEAB Cc1c(C(=O)OCCc2cnn(C)c2)c(=O)oc2ccccc12 85711729 RFCLOPZABYDBOX-UHFFFAOYSA-N 312.325 2.234 0 40 DEAB O=C(CCn1cc(Cl)cn1)Nc1ccc2c(c1)OCCO2 27968987 GIRNXOMKSKSAHT-UHFFFAOYSA-N 307.737 2.337 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2cccc3c2ccn3C)co1 72401047 WQNZQLUSYVREHM-UHFFFAOYSA-N 312.325 2.457 0 40 DEAB CC(C)(C)c1ncc(/C=C/C(=O)N2CCCS2(=O)=O)s1 76823037 BCNQXVYVBVUZBS-AATRIKPKSA-N 314.432 2.016 0 40 DEAB Cc1oc(=O)c(-c2csc(N)n2)c(O)c1Br 218309647 SUVIBGIXKZACJP-UHFFFAOYSA-N 303.137 2.122 0 40 DEAB O=C(NC[C@H]1Cc2ccccc21)[C@H]1CCCN(C(=O)C2CC2)C1 79333656 BYLYUVAEPBXUSE-JKSUJKDBSA-N 312.413 2.091 0 40 DEAB CCOc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1OC 33460844 DZMZJQNBKJBUEA-DYLHUKMJSA-N 321.373 2.333 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCCC[C@H]2c2n[nH]cc2C)n1 72385696 HFQWZFGEBRQJSE-AWEZNQCLSA-N 301.394 2.285 0 40 DEAB CNc1ccc(C[C@H]2CCCN(C(=O)c3cncs3)C2)nn1 72387374 PMSJORVCPTZORL-LLVKDONJSA-N 317.418 2.070 0 40 DEAB CN(CCN1CCCC1=O)C(=O)/C=C/c1ccc(Cl)cc1 71903080 LGAKAZFTERAGMT-RMKNXTFCSA-N 306.793 2.434 0 40 DEAB CCOCCCNC(=O)[C@]1(C)Sc2ccccc2N(C)C1=O 40774521 CQGQUTPKSKLIAW-INIZCTEOSA-N 322.430 2.057 0 40 DEAB COC(=O)CNC(=O)c1ccc(COc2ccc(C)cc2)o1 43091774 GLMHDBCQVUSKFB-UHFFFAOYSA-N 303.314 2.070 0 40 DEAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ncn(C)n2)no1 569773355 QSGMBKHISYCMLC-LLVKDONJSA-N 318.381 2.079 0 40 DEAB C[C@@H](N)[C@H]1CCCN(C(=O)c2ccn(-c3ccccc3F)n2)C1 195542931 PMEOVQKNCZBINR-OLZOCXBDSA-N 316.380 2.211 0 40 DEAB C[C@@](O)(CNC(=O)c1cc(-c2ccco2)on1)c1ccco1 75156211 XIBMNIFFYYWKQG-OAHLLOKOSA-N 302.286 2.165 0 40 DEAB COc1ccc(NC(=O)NCc2nc(C)cc(N(C)C)n2)cc1 224187747 MVYPZVSLIHWVBR-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB CC(C)Cc1noc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 46087154 SVIXWEGGCDDANS-UHFFFAOYSA-N 317.393 2.021 0 40 DEAB CCc1[nH]nc(NS(=O)(=O)c2sc(C)nc2C)c1C 195573257 PFCSHPNVNLAAAX-UHFFFAOYSA-N 300.409 2.155 0 40 DEAB S=C(NCc1ccc2c(c1)OCCO2)Nc1cccnc1 224049591 BCUJYMWHFKMOOC-UHFFFAOYSA-N 301.371 2.339 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC(c2cnc[nH]2)CC1 333173820 QMKSBMLBZWAGOU-UHFFFAOYSA-N 315.421 2.099 0 40 DEAB c1cnc(N2C[C@H]3c4ccccc4[C@H](N4CCOCC4)[C@H]3C2)nc1 96251709 NAHRDOOGHVFDTJ-BZSNNMDCSA-N 322.412 2.084 0 40 DEAB CCN1C[C@H](COC(=O)c2cnc3ccsc3c2)CC1=O 96442357 GNLPLFWDXHOAJW-SNVBAGLBSA-N 304.371 2.322 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)CCc2nc(C)no2)C12CCCC2 96432531 WLQSHEOKHKQOQC-OLZOCXBDSA-N 307.394 2.165 0 40 DEAB COCCOCc1cc(C(=O)Nc2cc(C)n[nH]2)ccc1F 96436154 RVVCCJUQWYXMHS-UHFFFAOYSA-N 307.325 2.273 0 40 DEAB c1ccc(N2CC[C@@]3(COCCN(Cc4cccnc4)C3)C2)nc1 96062476 FLTOHDFFDHNZOV-IBGZPJMESA-N 324.428 2.206 0 40 DEAB CN(C)c1noc([C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 96487612 AFJMMVHJEZRRBQ-MRVPVSSYSA-N 324.743 2.449 0 40 DEAB COC[C@H]1CN(C(=O)c2cc3ccccc3o2)Cc2ccnn21 247890035 SXXXAVIATIOSIX-CQSZACIVSA-N 311.341 2.473 0 40 DEAB CCc1ncnc(O[C@H]2CCN(C(=O)c3ccco3)C2)c1F 244998663 KOTVUHPMEVRMBO-JTQLQIEISA-N 305.309 2.065 0 40 DEAB Cc1cccc2nc(CN(C)[C@H]3CCC[C@H]3S(C)(=O)=O)cn12 248098401 GYYGNCLXMYQWFC-LSDHHAIUSA-N 321.446 2.040 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257265187 LXQZHRYPJKBRGO-LBPRGKRZSA-N 302.378 2.363 0 40 DEAB O=C(Cc1ccc(F)cc1)NCCCNC(=O)c1cccs1 69453312 NXFCCHFAHVZSAX-UHFFFAOYSA-N 320.389 2.366 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)n1 257246926 IWPGVQOQUAEFKL-GFCCVEGCSA-N 307.357 2.291 0 40 DEAB O=C(NCCOCC1CCC1)c1ncccc1Br 252490992 LHNAYWNPPWJBTC-UHFFFAOYSA-N 313.195 2.391 0 40 DEAB CC(C)N1CCC(C(=O)N2CC[C@@]3(C)C[C@H](O)CC[C@@H]23)CC1 257248965 JGABVWKCEUKIAT-NUJGCVRESA-N 308.466 2.259 0 40 DEAB CO[C@H]1CCN(Cc2ccc(C(=O)O)cc2)C[C@@]12CCCO2 257220242 DKDQWVLZIOIQIP-RDJZCZTQSA-N 305.374 2.155 0 40 DEAB CO[C@H](CNC(=O)[C@H]1COc2ccccc2O1)c1ccsc1 96097390 DUIWTDUFKXCROW-HUUCEWRRSA-N 319.382 2.392 0 40 DEAB Cc1ncccc1C(=O)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575605327 JRNILGNZDPEALE-GFCCVEGCSA-N 318.764 2.127 0 40 DEAB CO[C@H]1CN(C(=O)c2cnc[nH]2)CC[C@@H]1Cc1ccc(F)cc1 585279427 MBQLYGFLUWKVEF-CJNGLKHVSA-N 317.364 2.269 0 40 DEAB COC(C)(C)C(=O)N1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 585279993 VGOAFTCYPPVDMZ-HIFRSBDPSA-N 309.381 2.003 0 40 DEAB O=c1c2sccc2ncn1Cc1noc(-c2ccoc2)n1 69567617 LFERLGVSFBLGFP-UHFFFAOYSA-N 300.299 2.149 0 40 DEAB Cc1csc(N2CCN(C(=O)Nc3cccnc3)CC2)n1 47970726 GWBGSCPMWFJJNC-UHFFFAOYSA-N 303.391 2.201 0 40 DEAB Cc1ncccc1CCNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21 1579880647 RBMXDRIGDAQUJI-IXDOHACOSA-N 301.434 2.217 0 40 DEAB Cc1n[nH]c([C@H]2CN(Cc3cccc(OC(C)C)c3)CCO2)n1 76048124 ZJXDWAJHTPOCAJ-MRXNPFEDSA-N 316.405 2.474 0 40 DEAB CCOC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1C 14291662 RBCOQFZKCWBILT-UHFFFAOYSA-N 301.298 2.377 0 40 DEAB Cc1noc(C)c1-c1nc(CSc2cccc[n+]2[O-])no1 2577525 HUQCMNBEGSOEJQ-UHFFFAOYSA-N 304.331 2.267 0 40 DEAB CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(c2ncc(Cl)cn2)C1 574777263 XBCZQGZOEROLEV-MNOVXSKESA-N 320.784 2.092 0 40 DEAB C[C@H](Sc1nc2ncccn2n1)C(=O)NC1CCCCCC1 10077851 FMDKKLUDJNYSBK-NSHDSACASA-N 319.434 2.444 0 40 DEAB CCN(CC)c1ccc(C(=O)OCC(=O)N2CCCC2)cc1 4882152 WPTHLFNCFWEFRB-UHFFFAOYSA-N 304.390 2.312 0 40 DEAB COc1ccc(NC(=O)NCCC(=O)NC2CCCC2)cc1 14300972 OOTKROVXPXMVND-UHFFFAOYSA-N 305.378 2.266 0 40 DEAB Cc1nc(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nc(C)c1C 17835713 AIRKQLRZTNDGAO-AOOOYVTPSA-N 309.435 2.130 0 40 DEAB Cc1cnc([C@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)[nH]1 1848441963 MPXGJPQZMXYUOO-ZDUSSCGKSA-N 301.394 2.007 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N(CC(=O)O)CC1CC1 36885487 YFXBDNBKMADTHY-UHFFFAOYSA-N 317.794 2.134 0 40 DEAB CSc1ccccc1C(=O)N1CCCN([C@@H]2CCOC2)CC1 1565522551 TWTRGKJLYDIZAT-CQSZACIVSA-N 320.458 2.345 0 40 DEAB CCOc1nn(CC)cc1C(=O)Nc1ccc(C(=O)OC)cc1 9070406 MBAPKQARJBIXSL-UHFFFAOYSA-N 317.345 2.341 0 40 DEAB Cn1cc([C@H]2CCCCN2S(=O)(=O)c2cccs2)cn1 431740046 NQFKMYNWQMDVPZ-GFCCVEGCSA-N 311.432 2.398 0 40 DEAB COc1ncccc1C(=O)N[C@H](C)c1ccc2c(c1)OCCO2 40058685 QXFBJSVHUNJBOZ-LLVKDONJSA-N 314.341 2.352 0 40 DEAB O=C(NC1CCN(CCOc2cccc(F)c2)CC1)C1CC1 30287537 WWUJETOEYQHDRU-UHFFFAOYSA-N 306.381 2.195 0 40 DEAB CC(C)(C)OC(=O)N1C=CC(N)=C(I)C1 100053216 VWWYFEQKCAYGEB-UHFFFAOYSA-N 322.146 2.356 0 40 DEAB O=C(NCc1ccccc1OC(F)(F)F)c1cnsn1 40150814 GHJVHKUECDWURO-UHFFFAOYSA-N 303.265 2.367 0 40 DEAB Cn1cc(NC(=O)C2CCN(c3ccc(Cl)cn3)CC2)cn1 32238263 KMEBMPAHFCGMRP-UHFFFAOYSA-N 319.796 2.324 0 40 DEAB Cc1cc(C(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1C(C)C 41099041 RDYYTQFDIDVGEU-UHFFFAOYSA-N 305.378 2.199 0 40 DEAB O=C1OCC[C@H]1N1CCN(Cc2cccc3ccccc23)CC1 21312585 KAPGDWJIVQVQPJ-GOSISDBHSA-N 310.397 2.273 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 53202972 RNGCVYQBFBRAKW-LLVKDONJSA-N 322.352 2.078 0 40 DEAB Cc1ccc(-n2cc(C(=O)NCc3ccccn3)nn2)cc1C 12274703 ZSJDNNLKXBSVBH-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB Cc1ccoc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1 53351208 VAVUEZXNXVXWEF-UHFFFAOYSA-N 313.357 2.018 0 40 DEAB CN1C[C@H](NC(=O)c2cc3ccccc3c(Cl)n2)CCC1=O 77900920 BMVUHFIQEFXSKI-LLVKDONJSA-N 317.776 2.239 0 40 DEAB O=C(O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c1 1508506 KMMUTTCATNQTLO-PSJXJDHFSA-N 303.314 2.070 0 40 DEAB CCc1nncn1CCNC(=O)Nc1cccc(N(C)CC)c1 78936965 UKQXQSYBNYYZEK-UHFFFAOYSA-N 316.409 2.118 0 40 DEAB COc1cc(CNS(=O)(=O)c2ccccc2OC)ccc1C 53693240 HZUNBWYECFGZCZ-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cccc2ccccc12 61649833 HDAITGTWJXXDKX-JKSUJKDBSA-N 310.397 2.433 0 40 DEAB CCCNC(=O)NC(=O)COC(=O)c1cc2ccccc2s1 7412831 AKTRSZJAERMQDN-UHFFFAOYSA-N 320.370 2.294 0 40 DEAB O=C(C[C@@H]1C=CCC1)NCc1ccc(CN2CCOCC2)cc1 24148823 FFPPSJLXUSZVLW-MRXNPFEDSA-N 314.429 2.491 0 40 DEAB COCCCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1 47806813 JPQFQLUQWXJMAK-KBPBESRZSA-N 321.421 2.458 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC(Cn3ccnn3)CC2)o1 95435398 KEQPYCCMMAFJFU-SNAWJCMRSA-N 300.362 2.132 0 40 DEAB O=C(CCSc1ccccc1)NCCNc1cnccn1 56486318 UITQLUWSIFYDSM-UHFFFAOYSA-N 302.403 2.187 0 40 DEAB O=C1N[C@@](O)(c2ccccc2Cl)c2cc3c(cc21)OCCO3 35326914 HKCFTVFYBGGEHZ-MRXNPFEDSA-N 317.728 2.048 0 40 DEAB COc1ccc(OCC(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20144637 JAEYARIQCFKPDN-UHFFFAOYSA-N 317.297 2.117 0 40 DEAB O=C(Cc1csc(N2CCCC2=O)n1)NC1CCCCC1 44870155 RLWZANHWSOIQIX-UHFFFAOYSA-N 307.419 2.261 0 40 DEAB CC(=O)N1CCCN(C(=O)c2csc3c2CCCC3)CC1 48260755 IPMPUFDRDQYHOT-UHFFFAOYSA-N 306.431 2.321 0 40 DEAB CC[C@H]1CCCCN1C(=O)/C=C/c1ccc(OCC(N)=O)cc1 48234697 DOEPHVOLMJAQCO-SHQCLWGWSA-N 316.401 2.355 0 40 DEAB O=C(Cn1nnc2ccccc21)NCc1nc2ccccc2s1 48290818 XVEOMFWWNAYMNE-UHFFFAOYSA-N 323.381 2.357 0 40 DEAB CCc1nnsc1C(=O)NCc1ccc(CN(C)C)cc1 28022757 GXBVWZDVSBEEJN-UHFFFAOYSA-N 304.419 2.092 0 40 DEAB C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cccc(NC(N)=O)c1 58414342 BIBYWJOHMREJBK-RISCZKNCSA-N 321.377 2.090 0 40 DEAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCN1CCCC1 10539133 DSKVGXIFCAGNSU-QGZVFWFLSA-N 320.433 2.455 0 40 DEAB Cc1nnc(SCC(=O)N(C)Cc2ccc(F)cc2)n1C 12745284 LHIWCDPRYQAHPW-UHFFFAOYSA-N 308.382 2.013 0 40 DEAB CC(=O)c1csc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)n1 12789558 ALMMXEDTYOTNGL-GFCCVEGCSA-N 316.338 2.066 0 40 DEAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(CCc2ccccc2)C1 3346615 NSEFXFVESGPWHR-SFHVURJKSA-N 322.408 2.394 0 40 DEAB Cc1cc(Br)ccc1C(=O)N1CCC[C@H]1C(=O)O 36829329 NGLSCJVKBNNDBG-NSHDSACASA-N 312.163 2.447 0 40 DEAB Cn1cccc1C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21 2640524 HTLBUQAZBHJUDB-OAHLLOKOSA-N 312.369 2.376 0 40 DEAB CNc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1 3423431 WBNXPPNERZZFAJ-UHFFFAOYSA-N 316.332 2.341 0 40 DEAB Cc1ccc(NS(=O)(=O)c2cccn3c(C)nnc23)cc1 62592000 MTGXWTLQVKLFEF-UHFFFAOYSA-N 302.359 2.147 0 40 DEAB CC(C)(C)C1CCC(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 13004989 CIOARNZUPBUAPQ-BPCQOVAHSA-N 301.452 2.142 0 40 DEAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1cc[nH]n1 49683576 AALYQDFMJWKRAE-HNNXBMFYSA-N 321.384 2.462 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1C(=O)N(C)Cc1ccnn1C 28231437 ROMYPLFOEFBKQF-UHFFFAOYSA-N 323.400 2.495 0 40 DEAB Cc1nc(NC(=O)Cn2ccnn2)sc1Cc1ccccc1 95408436 CCMZAZSYZJRNGI-UHFFFAOYSA-N 313.386 2.273 0 40 DEAB CC[C@@H](C)[C@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 65568682 KPSUZVMICQKBSN-KGLIPLIRSA-N 323.481 2.013 0 40 DEAB O[C@@H](CNC1CCCCC1)COc1ccc(-c2nnco2)cc1 4681512 RRLGJJHDSDWGRN-HNNXBMFYSA-N 317.389 2.399 0 40 DEAB CC(C)CNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3 5556644 MTFYLTPQXRPOCU-UHFFFAOYSA-N 319.430 2.109 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)S(=O)(=O)Cc1ccccc1 15335020 MOYDMSTUQOANPV-UHFFFAOYSA-N 319.382 2.377 0 40 DEAB C[C@H](COc1ccc(F)c(F)c1)NC[C@H](O)C1CCOCC1 90053814 MACRLGPDAAPLCW-BZNIZROVSA-N 315.360 2.109 0 40 DEAB C[C@@H](NC(=O)CSc1nncn1-c1ccccc1F)C1CC1 7120785 PMSWORQGZXDKFO-SNVBAGLBSA-N 320.393 2.413 0 40 DEAB COCCCN1CCCN(C(=O)[C@@H](C)Cc2ccccc2)CC1 95395406 NPQQYOLGBVWDLR-KRWDZBQOSA-N 318.461 2.436 0 40 DEAB COCCN(CC(=O)OC)C(=O)c1ccc(C(C)(C)C)cc1 95397104 ZCCALEHVVXXKHV-UHFFFAOYSA-N 307.390 2.246 0 40 DEAB Cn1ccnc1CCNC(=O)CCOc1ccccc1Cl 69351658 NIJVWPUTMJURHC-UHFFFAOYSA-N 307.781 2.201 0 40 DEAB Cc1cc(COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)on1 8482319 KQPPYLMJMXUEEZ-UHFFFAOYSA-N 319.342 2.255 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69536509 DFCQSUGNJLRBPV-IRXDYDNUSA-N 318.465 2.055 0 40 DEAB Cc1c(C(=O)N2CCCC[C@@H]2CNC(N)=O)oc2ccccc12 69558683 XGZLPQZBTJUVRR-GFCCVEGCSA-N 315.373 2.404 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)o1 69654504 RLNWIGDIINNZTN-MNOVXSKESA-N 313.375 2.019 0 40 DEAB CCOC(=O)C(C)(C)N(C)C(=O)Cc1ccc(OCC)cc1 69772783 MYEDJDDXBZGTBI-UHFFFAOYSA-N 307.390 2.428 0 40 DEAB COC(=O)CN(Cc1ccccc1Cl)C(=O)CSC 71819347 SCTCWACAWNLWHF-UHFFFAOYSA-N 301.795 2.205 0 40 DEAB Cc1n[nH]cc1CNCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 71819586 NBHWFWQEWWJXKP-BETUJISGSA-N 315.421 2.017 0 40 DEAB CCc1ccc([C@H](NC(=O)[C@H](C)S(C)(=O)=O)C(C)C)cc1 71903344 ZQOXOPRVFUQTNW-SWLSCSKDSA-N 311.447 2.495 0 40 DEAB COc1ccccc1NC(=O)C[C@@H](C)NC1CCC(O)CC1 8750787 PCVPRQZHLVIYMB-IYXRBSQSSA-N 306.406 2.305 0 40 DEAB CCc1nc(NS(=O)(=O)c2cccc(Cl)c2F)no1 97047041 NFDVRQPVMQPGEH-UHFFFAOYSA-N 305.718 2.225 0 40 DEAB Cc1ccc(-n2nc(NC3CCN(C(N)=O)CC3)cc2C)cc1 97035193 IKKCCXITNBBVMM-UHFFFAOYSA-N 313.405 2.444 0 40 DEAB C[C@H](O)c1cn(C2CN(C(=O)CC3CCCCCC3)C2)nn1 95998094 QIQVWNKWUKDAIO-LBPRGKRZSA-N 306.410 2.075 0 40 DEAB Cc1cccc(NC(=O)CN(C)Cc2nc3c(s2)CCC3)n1 95986625 VWJSVBFMLPIBEE-UHFFFAOYSA-N 316.430 2.406 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCC1Cc2ccccc2C1 95985134 SWCJWNCTPMSOKU-DLBZAZTESA-N 307.459 2.347 0 40 DEAB COCCCNC(=O)N1CCN([C@H](C)c2ccsc2)CC1 95943120 CSEXEDUFVMVKEM-CYBMUJFWSA-N 311.451 2.173 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)NCc1ccc(O)c(F)c1 74374771 UPVFUQRHSNTPQM-UHFFFAOYSA-N 320.368 2.383 0 40 DEAB Cc1ccc(O[C@@H](C)CNC(=O)N2CCC(CO)CC2)cc1 74783870 RCANKQZTQSYWAK-AWEZNQCLSA-N 306.406 2.176 0 40 DEAB CN(Cc1ccncc1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 74862223 QQZUXNXRAZJYRC-QGZVFWFLSA-N 316.449 2.488 0 40 DEAB CCCn1nc(C)c(C(=O)N2CCC3(CC2)OC[C@H](C)O3)c1C 89960623 LQKNKPJHGPJSSJ-LBPRGKRZSA-N 321.421 2.278 0 40 DEAB CCNc1cc(NCCNC(=O)c2cccs2)nc(C)n1 36708075 BOTFFSARXYIZBK-UHFFFAOYSA-N 305.407 2.120 0 40 DEAB CN(C)C(=O)c1cc(NC(=O)N(C)Cc2ccco2)ccn1 77718308 VKYDUSYTORFPSI-UHFFFAOYSA-N 302.334 2.040 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)c2c(C)noc2C)n1 72385673 UPVCFTVLDVDXBC-GFCCVEGCSA-N 301.350 2.100 0 40 DEAB CCOC(=O)c1n[nH]c2ccc(I)cc12 39268947 ZADSLVOSOVLXLW-UHFFFAOYSA-N 316.098 2.344 0 40 DEAB COc1ccc(N2Cc3nn(CCC(C)C)c(=O)n3C2=O)cc1 1547201233 RHLIJNIORSXZKD-UHFFFAOYSA-N 316.361 2.088 0 40 DEAB O[C@H](COCc1ccccc1)CN1CCOc2ccccc2C1 76547716 YNYAILFLSSPHES-SFHVURJKSA-N 313.397 2.459 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCCN1C(=O)Cn1cc(Cl)cn1 72384893 QKAANOQLFXGFRC-LBPRGKRZSA-N 307.785 2.322 0 40 DEAB CN(Cc1cccnc1)C(=O)CNC(=O)CC1=CCCCC1 78610104 SDVLRAPJRXYUPS-UHFFFAOYSA-N 301.390 2.047 0 40 DEAB Cc1sc2nc(CN3C[C@H](C)O[C@@H](C)C3)[nH]c(=O)c2c1C 25247896 CVSRRFWQJAIKOX-IUCAKERBSA-N 307.419 2.211 0 40 DEAB CCN(CC)C(=O)c1ccn(Cn2nc(C)c(Cl)c2C)n1 32647963 UWDKJHSPAPJOJW-UHFFFAOYSA-N 309.801 2.338 0 40 DEAB COc1nc(C)cc(C)c1CNC(=O)[C@@H](O)c1ccccc1 73309326 ISVRJMXFBBHBRS-HNNXBMFYSA-N 300.358 2.057 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCNC[C@H]2c2ccncc2)no1 566094328 PJVMMJRBQGNLLB-AWEZNQCLSA-N 314.389 2.154 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@@](O)(c1ccco1)C1CC1 75154877 RMPBQZSJWSICIN-KRWDZBQOSA-N 303.333 2.375 0 40 DEAB CS[C@@H]1CCC[C@H]1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 74762813 IGGUJSGWLPIIOO-TUVASFSCSA-N 306.431 2.228 0 40 DEAB Cc1c(C(=O)O)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 70451541 RIQHSAWDKPIDKU-UHFFFAOYSA-N 311.301 2.201 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCC(=O)N1Cc1cccs1 72239749 BMRVYPGSAOWFKO-JTQLQIEISA-N 307.400 2.334 0 40 DEAB O=C(NCCCN1CCOCC1)c1ccc2c(c1)CCCC2 198347948 PIMBSFMOEWWZDA-UHFFFAOYSA-N 302.418 2.018 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1ccncc1Cl 328941746 FJPZZYJCELAUAG-ZDUSSCGKSA-N 320.780 2.289 0 40 DEAB CCc1ocnc1C(=O)NC[C@@H](C)Oc1ccccc1OC 81098595 KAHGSSGXSPQZMZ-LLVKDONJSA-N 304.346 2.443 0 40 DEAB COc1ccc(C(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 224292801 BCTIJVJPEQXLAG-UHFFFAOYSA-N 300.362 2.420 0 40 DEAB O=C(C[C@@H]1C[C@H]2CN(C3CCC3)C[C@H]2O1)NCc1cccs1 96206061 GWVCDAMJIYLDGM-DUVNUKRYSA-N 320.458 2.396 0 40 DEAB COC1(CNC(=O)NCCc2cn3cccc(C)c3n2)CCC1 96500162 TUJSQMUVECJPJE-UHFFFAOYSA-N 316.405 2.054 0 40 DEAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccco2)N1Cc1cccnc1 96110747 CSCNPTHDSNNJDV-IAGOWNOFSA-N 311.385 2.440 0 40 DEAB O=C(NCc1nc(-c2ccncc2)no1)[C@H]1CCC(F)(F)C1 331730340 QFNWYDPMMTZVDA-JTQLQIEISA-N 308.288 2.183 0 40 DEAB CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3ccc(F)cc3)[C@@H]2C1 96056692 QVWAUGICKKJFEW-USXIJHARSA-N 320.408 2.330 0 40 DEAB Cc1ccc2c(n1)N(C)CCN(C(=O)c1ccncc1F)C2 96100592 NDVVLEYGHYUAEV-UHFFFAOYSA-N 300.337 2.016 0 40 DEAB FC1(F)CCN(CC2CC2)C[C@@]12CCN(c1ncccn1)C2 96239701 NDHDKBKKUJDLJW-OAHLLOKOSA-N 308.376 2.424 0 40 DEAB CN(C)CCN1CC[C@H]2[C@@H]1CCN2C(=O)c1cccc(Cl)c1 96038553 HQZSSAONFCUARV-HOTGVXAUSA-N 321.852 2.190 0 40 DEAB COc1ccccc1NCC(=O)NC[C@@]1(C)CCCC[C@@H]1O 96450805 SPGUINDBCGHOJP-DOTOQJQBSA-N 306.406 2.165 0 40 DEAB CCN1CC[C@]2(CN([C@H]3CCOC3)C[C@H]2c2ccccc2)C1=O 96201878 WOKICLZRSPNFRY-JENIJYKNSA-N 314.429 2.113 0 40 DEAB O=C(NCCNc1cccc(Br)c1)c1ccon1 97234011 VTERIFZOUVGOEC-UHFFFAOYSA-N 310.151 2.279 0 40 DEAB c1c2c(nn1CC1CCOCC1)[C@H](COCC1CC1)OCC2 96068154 WCEYWSMDIFKTRI-INIZCTEOSA-N 306.406 2.350 0 40 DEAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 245231484 DMSSBLFWFTUXFM-OVYBAWALSA-N 307.349 2.447 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(S(=O)(=O)c3ccccc3C)C2)n1 257293324 QOZZPVOWEVWFMQ-CYBMUJFWSA-N 305.403 2.205 0 40 DEAB Cc1ccc(Cl)c(OC[C@H](O)CN2CCOCC[C@H]2C)c1 253369388 BZIMWUQQHRLHMU-ZIAGYGMSSA-N 313.825 2.499 0 40 DEAB C[C@@]12CCN(Cc3ccc(OCC(=O)O)cc3)[C@@H]1CC[C@@H](O)C2 257206952 BFQHXGSNHWNRHS-KYJSFNMBSA-N 319.401 2.275 0 40 DEAB O=C(Cn1cnc2ccccc21)N1CCC[C@H](c2cnccn2)C1 257250225 JLQLFCRYIBBHKT-AWEZNQCLSA-N 321.384 2.233 0 40 DEAB CCO[C@@H]1C[C@](NC(=O)c2ccc(OC)cc2)(C(=O)O)C1(C)C 262693187 CREUFFQZFMUQAP-DYVFJYSZSA-N 321.373 2.083 0 40 DEAB Cc1cc(C)nc(NCCCS(=O)(=O)c2ccccc2)n1 299274810 PXKHUDXYVNWDEL-UHFFFAOYSA-N 305.403 2.369 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575402569 CLQYSSLFLNXCDX-CQSZACIVSA-N 306.431 2.485 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@@H](Oc3ccccn3)CS2)C1 575406436 XBWTXQMUMJUDAB-CYBMUJFWSA-N 304.415 2.347 0 40 DEAB Cc1cc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)nc(C)n1 585147375 KNQNLZIPOVDMFD-CQSZACIVSA-N 317.414 2.377 0 40 DEAB COc1ccc([C@@H]2[C@@H](C(=O)O)SCC(=O)N2C(C)C)cc1 824690475 RWXOMXDRRTZNOI-KGLIPLIRSA-N 309.387 2.173 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 47399718 UGLKAQZQJGRCAJ-LLVKDONJSA-N 312.316 2.316 0 40 DEAB CO[C@@H](CNC(=O)[C@@H]1CCCN1Cc1ccccc1)C(C)C 74029883 IHZOJEKIVUSYMD-IRXDYDNUSA-N 304.434 2.438 0 40 DEAB CCN1CC[C@H](N(C)CC(=O)NCc2ccc(C)s2)C[C@@H]1C 75145340 ZSJRLANZGISHGH-ZFWWWQNUSA-N 323.506 2.477 0 40 DEAB CC(C)Cc1noc(CN2CC[C@@H](Oc3ccncc3)C2)n1 89856566 AZSRGBFSSKRMIN-CQSZACIVSA-N 302.378 2.316 0 40 DEAB COC[C@H]1CN(Cc2ccc(Br)c(F)c2)CCO1 83897999 IIBGEEDKIULOPM-LLVKDONJSA-N 318.186 2.435 0 40 DEAB CC(=O)Nc1ccc(CN2CCc3c(O)nc(C)nc3C2)cc1 19576605 DTYDUQRSDSPZQX-UHFFFAOYSA-N 312.373 2.007 0 40 DEAB CCCCC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1 5221507 RXQOOGOUZYBHAZ-GFCCVEGCSA-N 320.389 2.116 0 40 DEAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)N2[C@@H](C)CCC[C@H]2C)C1=O 12976719 FLBKRIBHFCBROT-IIYDPXPESA-N 323.437 2.133 0 40 DEAB Nc1cc(N)nc(SCC(=O)Nc2ccccc2Cl)n1 422499 CSSUJTRGDWGUOE-UHFFFAOYSA-N 309.782 2.025 0 40 DEAB Cc1cccc(CSc2nn3c(=O)c(C)nnc3s2)c1 4347093 BLQALIGCXVHCBE-UHFFFAOYSA-N 304.400 2.455 0 40 DEAB COc1c2c(cc3c1[C@H](Cc1cc(C)n[nH]1)N(C)CC3)OCO2 8973478 KIEVUGOFGKRRET-ZDUSSCGKSA-N 315.373 2.227 0 40 DEAB biogenic O=C(CCSc1ccccc1)N1CC[C@@H](N2CCOC2=O)C1 618257226 SEJUBVMEPHAMHM-CYBMUJFWSA-N 320.414 2.222 0 40 DEAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NCCN(C)C 12141649 IWDDXILWNSCNEN-UHFFFAOYSA-N 312.479 2.441 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCn1cc(C)cn1 69899234 XENUIWFXYRAIOS-HOTGVXAUSA-N 304.438 2.057 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)c1cccc(-n2cnnn2)c1 12322401 OCROFVRTSFQCBX-CQSZACIVSA-N 321.384 2.413 0 40 DEAB NC(=O)[C@H](c1ccccc1)[C@H](C(N)=O)c1ccc(Cl)cc1 1621933 AZDOZGYXOAOENF-ZIAGYGMSSA-N 302.761 2.178 0 40 DEAB O=C(O[C@H]1CN2CCC1CC2)[C@](O)(Cc1ccccc1)C1CC1 1640682 CFCSBBISFREYTC-HKUYNNGSSA-N 315.413 2.008 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)N2CCC[C@H](CC(N)=O)C2)s1 78973779 RDIGCVZOKDHUTA-WCQYABFASA-N 323.462 2.285 0 40 DEAB Cc1noc(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1 53448344 YWMQFAYEDAXSPS-UHFFFAOYSA-N 306.391 2.471 0 40 DEAB COCCN(CC(F)(F)F)C(=O)[C@@H]1Cc2cccc(F)c2O1 96425080 MGNIWMRWUQZODV-NSHDSACASA-N 321.270 2.167 0 40 DEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@H](O)c1ccc(Cl)cc1 4299296 UOIXOTOBWPXEFC-WDEREUQCSA-N 315.753 2.351 0 40 DEAB Cc1cc(NC(=O)N2CCNC(=O)C[C@H]2c2ccccc2)no1 53733111 NFNSEMALHLXBPP-ZDUSSCGKSA-N 314.345 2.078 0 40 DEAB Cc1ccnc2nc(C(=O)N3CCC[C@@H]3c3cccs3)nn12 54144932 HXAUBISXGJZUSL-LLVKDONJSA-N 313.386 2.472 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)N[C@@H]1CCSc2ccccc21 43167546 QAJICXKUWVVWJK-OLZOCXBDSA-N 319.430 2.191 0 40 DEAB CCNC(=O)COc1ncnc2sc3c(c12)CC[C@@H](C)C3 3288866 QEDJTWZVDBINMX-SECBINFHSA-N 305.403 2.331 0 40 DEAB O=C(Cc1cn2ccsc2n1)NCCc1ccc(F)cc1 3287166 WYXFJIWRAOTKDY-UHFFFAOYSA-N 303.362 2.436 0 40 DEAB CC(C)Oc1ccc(N2C[C@H](C(=O)NC3CC3)CC2=O)cc1 9236646 TYOXFNFPWDZCRY-GFCCVEGCSA-N 302.374 2.105 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@H]1COCCO1 57080527 JBLIEZDQRXDDCB-JSGCOSHPSA-N 322.405 2.316 0 40 DEAB Cc1cc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)on1 29875048 AGNLLLXPSQMOSH-CQSZACIVSA-N 314.320 2.375 0 40 DEAB O=C(Nc1cc(F)c(Br)c(F)c1)N1CC[C@@H](O)C1 97371562 ARWXJYSGXMUUAE-SSDOTTSWSA-N 321.121 2.326 0 40 DEAB CC(C)(C)OC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 57218463 WWQJUODPUOCRIB-UHFFFAOYSA-N 310.316 2.455 0 40 DEAB in-vitro CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cn(C)c3ccccc13)CCO2 107720104 NKIDGNXBMSBEHT-BRWVUGGUSA-N 314.385 2.197 0 40 DEAB NC(=O)N[C@H](CC(=O)N1CCCCC1)c1ccccc1Cl 12739365 WJNBSMBXGKBAEY-CYBMUJFWSA-N 309.797 2.452 0 40 DEAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC2(C)COC2)cc1 58160331 RDHLIJUACZAKIG-FZMZJTMJSA-N 303.358 2.474 0 40 DEAB COC(=O)c1ccc(CNC(=O)Cc2cccc(F)c2)cc1 44866514 YTTVELPQPUTICS-UHFFFAOYSA-N 301.317 2.471 0 40 DEAB CN(C)[C@@H](CNC(=O)NCc1ccccn1)c1ccsc1 44946302 ZWRQCFGEZGVVPG-AWEZNQCLSA-N 304.419 2.245 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccc(N3CCCC3)nc2)C[C@@H](C)O1 44951531 LOMSWAFLKHXJIG-CHWSQXEVSA-N 304.394 2.323 0 40 DEAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCCN1CCCC1 10539129 DSKVGXIFCAGNSU-KRWDZBQOSA-N 320.433 2.455 0 40 DEAB O=S(=O)(C[C@@H]1CCCCO1)c1ccc2c(c1)OCCCO2 177518267 GZHGYSRJOZIHEY-LBPRGKRZSA-N 312.387 2.191 0 40 DEAB C[C@@H](Nc1ccc2c(c1)OC1(CCCCC1)O2)C(=O)NC(N)=O 28367994 SZRZKYULQTVGTM-SNVBAGLBSA-N 319.361 2.114 0 40 DEAB O=C(Nc1nc2c(s1)CCC2)c1cn(-c2ccccc2)nn1 29023898 VHPNFTYENGEGGL-UHFFFAOYSA-N 311.370 2.465 0 40 DEAB O=C1c2nccnc2C(=O)N1c1ccccc1Br 22073237 MBFJEHSLUOJEJW-UHFFFAOYSA-N 304.103 2.040 0 40 DEAB COC(=O)c1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1 8728894 BHPAIMJHJDOEAX-MRXNPFEDSA-N 311.337 2.093 0 40 DEAB C[C@@H](Oc1ccccc1C(N)=O)C(=O)N(C)C1CCCCC1 49875294 XZOBTHAPMKRQAZ-GFCCVEGCSA-N 304.390 2.344 0 40 DEAB COC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1 14020211 CCRKABLOUYKNJF-SNVBAGLBSA-N 317.297 2.250 0 40 DEAB O=C(NC1CCCCC1)C1CCN(C(=S)NC2CC2)CC1 65705845 JIADCNMKXXXELF-UHFFFAOYSA-N 309.479 2.184 0 40 DEAB Cc1cc(CNC(=O)C2(c3ccccc3)CCOCC2)on1 65724919 OSEDXNAWPLLKKQ-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB O=C(Cc1ccccc1)NCc1ccccc1CN1CCOCC1 14228150 VBDIDMHVUKYTCX-UHFFFAOYSA-N 324.424 2.378 0 40 DEAB Cc1cc(C)c(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1 5516667 GSALAGZQILSCNZ-RYUDHWBXSA-N 310.444 2.265 0 40 DEAB COC(=O)c1ccc([C@@H]2N=C(N)Nc3nc4ccccc4n32)cc1 5986098 KSGMHHIJFZWFEJ-CQSZACIVSA-N 321.340 2.110 0 40 DEAB O=C(COC(=O)c1cccs1)Nc1ccc2c(c1)OCCO2 7533166 ONWUHDVFOOPGDN-UHFFFAOYSA-N 319.338 2.315 0 40 DEAB Cc1ccc(CN(C(=O)CSCC(N)=O)C(C)C)s1 71824519 ARSLLGJCJRJOBX-UHFFFAOYSA-N 300.449 2.012 0 40 DEAB COc1cc2nc(CN3CCC34CCC4)[nH]c(=O)c2cc1OC 81562935 DQEHTLSLVHRAJQ-UHFFFAOYSA-N 315.373 2.069 0 40 DEAB CCc1ccc(CN(C)C(=O)c2ccccc2-n2cnnn2)cc1 8186132 SPAOUCTUFCVINR-UHFFFAOYSA-N 321.384 2.497 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H]1Cn1cccn1 70039869 IZGRRUJZKDZECR-SMDDNHRTSA-N 302.378 2.283 0 40 DEAB O=C(COc1ccccc1F)Nc1cnccc1-n1cccn1 71894156 SDZLGJQFYRKFQL-UHFFFAOYSA-N 312.304 2.424 0 40 DEAB CCc1nnc(NC(=O)CCNC(=O)Nc2ccccc2)s1 8390614 HACMBEAPKDNNTN-UHFFFAOYSA-N 319.390 2.251 0 40 DEAB Cc1cccc(NC(=O)NC(=O)CSc2nccn2C)c1C 8458712 XVAURYOZGZFILI-UHFFFAOYSA-N 318.402 2.477 0 40 DEAB Cc1cccc(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 71858721 HOQNTXZFJZRKIA-UHFFFAOYSA-N 311.320 2.244 0 40 DEAB COc1ccc(OC)c(C(=O)NCCN(C)C2CCCC2)c1 69529351 DHOXICGGMDQZMN-UHFFFAOYSA-N 306.406 2.308 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCn3c(C)nnc3C2)s1 69528901 QPGUWAUVRZJQLX-VXGBXAGGSA-N 302.403 2.102 0 40 DEAB Cc1ccccc1C[S@@](=O)CC(=O)NCCCOC(C)C 71858834 AFPZRVFYMGPWOM-NRFANRHFSA-N 311.447 2.175 0 40 DEAB O=C(Cc1cccnc1)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F 91758797 IHBRQPWIBZMVPW-CZUORRHYSA-N 318.323 2.237 0 40 DEAB CCS[C@@H]1CCC[C@H](NC(=O)N[C@H](C)Cn2cncn2)C1 110663051 CQEPVCXTCUICLM-FRRDWIJNSA-N 311.455 2.030 0 40 DEAB COC(=O)[C@H](NC(=O)c1cc(F)ccc1OC)c1ccccc1 72053243 LNDNALMVXBVCLS-OAHLLOKOSA-N 317.316 2.478 0 40 DEAB O=[S@](Cc1nnnn1-c1ccccc1)c1cccc(F)c1 83979727 GUQNKNMJHFAIIX-NRFANRHFSA-N 302.334 2.109 0 40 DEAB COc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1 84714891 PQCJAFHPGVNZHI-GUYCJALGSA-N 302.418 2.432 0 40 DEAB CCCc1noc([C@H](C)NC[C@@H]2CCO[C@@H]2c2cnn(C)c2)n1 84759037 BMGNPZLGKZAJCL-HUBLWGQQSA-N 319.409 2.184 0 40 DEAB Cn1cc(CNC[C@@]2(O)CCSC2)c(C2CCCCC2)n1 97086598 XAHOIUPTFSBXOH-INIZCTEOSA-N 309.479 2.425 0 40 DEAB COC(=O)NCCC(=O)Nc1ccc(F)cc1-n1cccc1 97115716 LTJAUDKKOQUDMX-UHFFFAOYSA-N 305.309 2.301 0 40 DEAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1cscn1 87502377 UVUGYZIAEHXWCT-VIFPVBQESA-N 309.341 2.430 0 40 DEAB 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2.492 0 40 DEAB COc1c(CNc2nnc(CC3CCCC3)o2)c(C)nn1C 181810714 QSBXINFLGAQENS-UHFFFAOYSA-N 305.382 2.465 0 40 DEAB Nc1nc(=S)[nH]cc1S(=O)(=O)c1ccc(Cl)cc1 70451452 ZABUFHLGYTUVPY-UHFFFAOYSA-N 301.780 2.208 0 40 DEAB COC(=O)c1cc(CNc2ccc3nccnc3n2)ccc1OC 79331108 QBUACIWYWBDQCK-UHFFFAOYSA-N 324.340 2.432 0 40 DEAB CN(CCC(=O)O)CC(=O)Nc1ccc(Cl)c(Cl)c1 37855667 HMCRFQWJIDTROD-UHFFFAOYSA-N 305.161 2.338 0 40 DEAB Cc1nn(C)cc1CNc1ccccc1N1CCC(O)CC1 187932149 QNJVXMVMKFRXJN-UHFFFAOYSA-N 300.406 2.302 0 40 DEAB Cc1ccc(C2=NO[C@@H]3CN(Cc4cnc(C)nc4)C[C@@H]23)cc1 72343264 KCKNPCIQBQAPDZ-IAGOWNOFSA-N 308.385 2.328 0 40 DEAB COc1cccc(OCC(=O)Nc2nnc(SC)s2)c1 40993755 CPHIZBNRLGXQNU-UHFFFAOYSA-N 311.388 2.286 0 40 DEAB COc1ccc(-c2cnn3c(C)c(C(=O)O)cnc23)cc1OC 71279112 FJHABFIODQBQMC-UHFFFAOYSA-N 313.313 2.420 0 40 DEAB CC1CCC(NC(=O)[C@H](C)NC[C@@H]2CCCn3ccnc32)CC1 89922635 SGOLMYORLCTRJY-PYBGIAKNSA-N 318.465 2.434 0 40 DEAB CN(C(=O)c1cnn(C)c1N)c1ccc(Oc2ccccn2)cc1 195562847 USKKYKCEVUZINX-UHFFFAOYSA-N 323.356 2.466 0 40 DEAB COc1ccc(CN2CCCC[C@H]2C(N)=O)c(OC(C)C)c1 96489465 LNGDRPYPTAHZDR-HNNXBMFYSA-N 306.406 2.322 0 40 DEAB CN(C)c1noc([C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)n1 96487613 AFJMMVHJEZRRBQ-QMMMGPOBSA-N 324.743 2.449 0 40 DEAB CCSC1(CNc2cnn(C)c(=O)c2Cl)CCOCC1 96421002 VKBKWMZZHOTFLJ-UHFFFAOYSA-N 317.842 2.148 0 40 DEAB CC1(C)[C@@H]2OCCC[C@H]2[C@H]1OC(=O)c1ccc2nncn2c1 230113155 LBPJURZMMQMHLR-MRVWCRGKSA-N 301.346 2.090 0 40 DEAB CCN(Cc1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1F 96460456 PYXNCSHYTUVARF-UHFFFAOYSA-N 316.336 2.374 0 40 DEAB CC(C)NC(=O)CCNC(=O)N1CC[C@H](Cc2ccccc2)C1 96439180 BZHTUCXDWCEKAC-MRXNPFEDSA-N 317.433 2.175 0 40 DEAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCn2ccnc2C1 97201450 MRNNULRRIBBFGP-CQSZACIVSA-N 302.422 2.094 0 40 DEAB CC(=O)NC(C)(C)c1noc(-c2cccc(OC(C)C)n2)n1 96484230 HVMNUUJZNKPBCD-UHFFFAOYSA-N 304.350 2.290 0 40 DEAB C[S@@](=O)CCNC(=O)NCCc1cc(Cl)cc(Cl)c1 96408793 FCGONXYQQHKLAW-IBGZPJMESA-N 323.245 2.214 0 40 DEAB O=C(NCC1(CO)CC1)N[C@H]1CCC[C@@H]1Oc1ccccc1 95406326 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COCCNC(=O)N1CC(OCc2cccc3ccccc23)C1 75107924 ULPZQBVSMMKCGS-UHFFFAOYSA-N 314.385 2.397 0 40 DEAB CC(C)N1CCC(CNC(=O)NCCOc2ccccc2)CC1 75166834 CTKLKJXBZYCPFD-UHFFFAOYSA-N 319.449 2.485 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(Cc2cncn2C)C1 1615144927 XESXBVFZLACAFC-KRWDZBQOSA-N 319.380 2.229 0 40 DEAB COc1ccc2c(c1O)[C@@]13CCN(C)[C@@H](C2)[C@H]1CC[C@@H](O)C3 5158835 SADZCZSUWMSOCW-ZUMXRPEOSA-N 303.402 2.060 0 40 DEAB O=C(c1cccnc1)N1CCC[C@H](c2n[nH]c3ncccc23)C1 12221832 YKWDLHBENZEBFE-ZDUSSCGKSA-N 307.357 2.373 0 40 DEAB Cc1csc(CN2CCN(C(=O)Cc3cccs3)CC2)n1 21687046 XEZHYTOWTXZKRO-UHFFFAOYSA-N 321.471 2.400 0 40 DEAB O=C(NCC1(c2ccc(F)cc2)CC1)C(=O)Nc1cccnc1 49512665 MIKBUKASAIHMDE-UHFFFAOYSA-N 313.332 2.007 0 40 DEAB Cc1nc(CCNC(=O)c2ccc3c(c2)CCC(=O)N3)cs1 40489826 BCURFEONGLOXAR-UHFFFAOYSA-N 315.398 2.309 0 40 DEAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCOCC1 40496310 STQFMBIJFRDCCP-GFCCVEGCSA-N 324.402 2.003 0 40 DEAB Cc1nnc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)o1 31637488 QYZMXUCSJVAMKJ-UHFFFAOYSA-N 311.128 2.443 0 40 DEAB Cc1ccc2ncn(CC(=O)N3CCc4ccccc43)c(=O)c2c1 40538897 BBSTWFDSKXHFKR-UHFFFAOYSA-N 319.364 2.294 0 40 DEAB O=C(Cc1ccc(Br)cc1)N[C@H]1CCCC[C@H]1O 52000916 GPZQRLZBTJMJNY-QWHCGFSZSA-N 312.207 2.411 0 40 DEAB COC(=O)c1ccsc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102233004 DBKOQWZWFBEQSX-UUTMEEIUSA-N 323.370 2.220 0 40 DEAB Cc1noc(C)c1CC(=O)OCC(=O)N[C@H]1CCCC[C@H]1C 21493181 MNYGMSKYUDSHED-YGRLFVJLSA-N 308.378 2.072 0 40 DEAB CN1CCN(CCCCNC(=O)c2ccccc2Cl)CC1 41362690 CNFHCHKTDLKZIO-UHFFFAOYSA-N 309.841 2.097 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)o1 53275626 KDDWUCROKBAIBA-FZMZJTMJSA-N 304.390 2.060 0 40 DEAB OC[C@]1(NC[C@@H](O)c2ccccc2F)CCc2ccccc21 95980398 RJXKXSNGHTXWMQ-QZTJIDSGSA-N 301.361 2.283 0 40 DEAB COC(=O)N(C)CC(=O)Nc1ccc(Br)cc1 46894712 NZLKVTMTZDKOLC-UHFFFAOYSA-N 301.140 2.086 0 40 DEAB COc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NCC(C)C)c1 1379772 MKKBUSOCFJXCRA-OAHLLOKOSA-N 319.405 2.464 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccc[nH]3)C2)c1 79000789 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CC(C)(C)C(=O)[C@@](CO)(Oc1ccc(Cl)cc1)n1cncn1 3291325 RMUUMCXJLIRYNU-OAHLLOKOSA-N 323.780 2.271 0 40 DEAB Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](C)Cn1cncn1)[C@@H](C)C2 108386093 PQFUNTALSOIMQC-WOSRLPQWSA-N 313.405 2.208 0 40 DEAB CCCCOC(=O)c1ccc([C@@H]2N=c3cc(C)c(N)cc3=N2)cc1 103533901 ISHBOCDNPVYRFC-GOSISDBHSA-N 323.396 2.486 0 40 DEAB COc1ccccc1NC(=O)COc1ccc2c(c1)OCCO2 10213065 VREGBTMWDFXBFQ-UHFFFAOYSA-N 315.325 2.484 0 40 DEAB O=S(=O)(Nc1ncccn1)c1ccc(OC(F)(F)F)cc1 10342308 ICMKVAYZDHTRPU-UHFFFAOYSA-N 319.264 2.176 0 40 DEAB CC1CCN(CCCNC(=O)c2n[nH]c3ccccc23)CC1 28069761 IZOVQIXUQCSHGC-UHFFFAOYSA-N 300.406 2.415 0 40 DEAB Cc1cc(C)n2nc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)nc2n1 102223913 CRVRIGQWJQVOOC-REWJHTLYSA-N 313.405 2.296 0 40 DEAB Cc1nc(CNC(=O)NC[C@H]2Cc3ccccc3O2)cs1 45325662 VKIDQLHYDAZAEK-CYBMUJFWSA-N 303.387 2.254 0 40 DEAB O=C(NCCNc1ncccn1)C1(c2ccc(Cl)cc2)CC1 58979476 OGFMNPIQACLMAQ-UHFFFAOYSA-N 316.792 2.390 0 40 DEAB CN(C(=O)NCCCn1cncn1)[C@@H]1CCCc2ccccc21 45647188 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CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccccn2)C1 67801310 DBAXEMVCZVGTHL-GFCCVEGCSA-N 305.378 2.211 0 40 DEAB CN(c1ccccc1C(N)=O)S(=O)(=O)c1ccccc1Cl 16098081 YVJSOPVWSMXTIN-UHFFFAOYSA-N 324.789 2.264 0 40 DEAB c1ccc(N2CC[C@H](NCc3c[nH]nc3-c3cccnc3)C2)nc1 96494394 AKSIWQAFLHCOEM-INIZCTEOSA-N 320.400 2.235 0 40 DEAB COc1cc(NC(=O)c2c(C)noc2C)c(C(=O)O)cc1OC 8191137 FKSOVPVJUFDAHV-UHFFFAOYSA-N 320.301 2.259 0 40 DEAB Cc1ccnc2nc(C(=O)N(C)CCC3CCCCC3)nn12 69417425 RLURRVIEQXCWAJ-UHFFFAOYSA-N 301.394 2.475 0 40 DEAB CCN(C(=O)C[C@H]1CCCO1)[C@H]1CCN(c2ccccc2)C1=O 71893525 ZHVKCIXNHVREPE-CVEARBPZSA-N 316.401 2.210 0 40 DEAB COCCn1cnnc1SCc1nnc(-c2ccccc2)o1 8428427 IDOBLAPDNCLSSO-UHFFFAOYSA-N 317.374 2.267 0 40 DEAB CN(CC(=O)N1CCC[C@H](c2cc[nH]n2)C1)Cc1ccccc1 83864237 NUBPJHLNQOAVQU-INIZCTEOSA-N 312.417 2.248 0 40 DEAB Cc1ccc(C(=O)N(C)CCOc2ccccc2C)c(=O)[nH]1 75118403 HSDWUEPBVMSYQY-UHFFFAOYSA-N 300.358 2.143 0 40 DEAB C[C@@H](NC(=O)N1CCOCC(F)(F)C1)c1ccc2n[nH]cc2c1 515024945 HPLAEQYZVMZOGY-SNVBAGLBSA-N 324.331 2.301 0 40 DEAB NC(=O)CSc1nnc2n(-c3ccccc3)c3ccccc3n12 33373524 NUNSDXXRFIGPGA-UHFFFAOYSA-N 323.381 2.251 0 40 DEAB COc1c(Cl)cc(C(=O)N(C)[C@@H]2CCNC2)cc1Cl 521394622 DAAKCWRYBPJWOI-SECBINFHSA-N 303.189 2.436 0 40 DEAB O=C1NCCN1[C@H]1CCCN(c2cccc(C(F)(F)F)n2)C1 79311228 DWKSDAJYEURIDL-JTQLQIEISA-N 314.311 2.094 0 40 DEAB O=C(Nc1cccnc1)N1CCN(CC(F)(F)C(F)F)CC1 79349142 NAWZWUTWYBYANV-UHFFFAOYSA-N 320.290 2.132 0 40 DEAB CCCNC(=O)C[S@@](=O)Cc1sccc1Br 79324711 ZSLDDMKXQVQHMQ-MRXNPFEDSA-N 324.265 2.286 0 40 DEAB CCOC(=O)c1cc(-n2cnnc2)ccc1N1CCCCC1 226277587 LPWPZUHOWNKHCL-UHFFFAOYSA-N 300.362 2.434 0 40 DEAB CNC(=O)CN(Cc1ccccc1)C[C@@H](O)c1cccs1 88616473 INDICTXWHOXBNR-CQSZACIVSA-N 304.415 2.030 0 40 DEAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(C)=O 222970891 RNBOIIQBVGAZJJ-CYBMUJFWSA-N 306.406 2.349 0 40 DEAB O=C(/C=C/C(=O)N1CCCCCCC1)NCc1cccnc1 69452342 RLFVIVVFMWAEIU-CMDGGOBGSA-N 301.390 2.047 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)CCCc2ccccc2)n1 224186569 WOUTWKRSTGEINI-UHFFFAOYSA-N 312.417 2.490 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)nn1 225422907 PZPZJFXXXULLAL-LBPRGKRZSA-N 319.311 2.357 0 40 DEAB CC[C@]1(C)CN(C(=O)Nc2ccc([S@@](C)=O)cc2)CCO1 190016148 UKLYVSBGGZKDCB-QVKFZJNVSA-N 310.419 2.457 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2cc(Cl)cs2)CC1 194434705 WWGVLUHWPKQNQD-LBPRGKRZSA-N 303.811 2.147 0 40 DEAB NC(=O)[C@@H]1CCCC[C@@H]1NCc1csc([C@@H]2CCCO2)n1 195572384 AGGDQZIVVFGNDL-AGIUHOORSA-N 309.435 2.128 0 40 DEAB COC(=O)c1ccc(CN2C(=O)COc3ccc(C)cc32)o1 98086369 QGHQVEAXXOUSPN-UHFFFAOYSA-N 301.298 2.300 0 40 DEAB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2ccno2)C1 96443494 BNYTVDJLCKXUBR-LLVKDONJSA-N 319.327 2.297 0 40 DEAB O=C(NC[C@H](O)COc1cccc(F)c1)C1[C@@H]2CCCC[C@@H]12 230157558 UICOFEPKZWRZLX-NWANDNLSSA-N 307.365 2.118 0 40 DEAB COc1cccc([C@H]2CCN2C(=O)c2n[nH]c3c2COCC3)c1 97295045 FNXWSHPZAQQMGA-OAHLLOKOSA-N 313.357 2.078 0 40 DEAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4cccnc4)C[C@H]3O2)n1 96058193 PSSOEQMLHAPZEJ-RRFJBIMHSA-N 300.362 2.125 0 40 DEAB 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2.173 0 40 DEAB COC(=O)Cn1ccc(N[C@@H](C)c2nc3ccccc3o2)n1 97103830 XJYDGFYGCPWIDH-JTQLQIEISA-N 300.318 2.370 0 40 DEAB O=C(OCCn1cccn1)c1cccc(OCC(F)(F)F)n1 96417875 MRKAZQGWYCGJCY-UHFFFAOYSA-N 315.251 2.076 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[C@@H](O)COC[C@H]1CCCO1)C2 245228322 QDJWMGKQXHYRSH-JMIFQINSSA-N 311.466 2.347 0 40 DEAB O=C(NCc1cccs1)[C@@H]1CN(CC2CC2)Cc2ccnn21 247490540 MGVOGEYYDSWKJH-HNNXBMFYSA-N 316.430 2.028 0 40 DEAB Cn1ccc2ccnc(CC3CN(C(=O)c4ccccn4)C3)c21 257256735 KMRDLIPBMSNVDK-UHFFFAOYSA-N 306.369 2.283 0 40 DEAB CNc1cc(C)nc([C@@H]2COCCN2C(=O)c2ccsc2)n1 257273476 NGTAIRWZFFGFEH-LBPRGKRZSA-N 318.402 2.102 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575402367 BPOGSYGUGZYKBG-FRRDWIJNSA-N 304.415 2.203 0 40 DEAB CO[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1Cc1ccc(F)cc1 585273341 CAHQRSBSVPKVJC-HOTGVXAUSA-N 317.364 2.411 0 40 DEAB Cc1noc(C)c1C[S@@](=O)CC(=O)Nc1cccc(F)c1 66298785 SBMHYXRQXLZFQK-NRFANRHFSA-N 310.350 2.318 0 40 DEAB CC(C)C[C@H](NC(=O)CCN1C(=O)CCC1=O)c1cccs1 58263756 FNUCWWJSCFWOBY-LBPRGKRZSA-N 322.430 2.491 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(C(F)(F)F)cc2)N1 5818999 XSIPSVYSEGMJAV-GHMZBOCLSA-N 311.263 2.117 0 40 DEAB O=C1CCCN1CCCn1c(S)nnc1-c1ccccc1 13534295 JVHMSOUSQCSGQO-UHFFFAOYSA-N 302.403 2.246 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)NCc1ccccc1OC)C(=O)OC 16033600 TYKHLKOSAOIXGT-SMDDNHRTSA-N 308.378 2.082 0 40 DEAB CC(C)(C)c1csc(NC(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)n1 17066425 RUQGRUXMYOOQJC-OEIWMXHLSA-N 324.402 2.257 0 40 DEAB COc1ccc(/N=c2\scc(OC(C)=O)n2C(C)=O)cc1 5375672 WWSIKHYIKKITMN-PFONDFGASA-N 306.343 2.376 0 40 DEAB Cc1ccccc1C(=O)NCC(=O)Nc1ccccc1[C@@H](C)O 155617097 OBICDNLKHAHGJD-CYBMUJFWSA-N 312.369 2.417 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(nn1)CCCC2 1888876001 MBBWEAIOVCCHQP-UHFFFAOYSA-N 311.341 2.379 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N(C)C)nc1 22421533 DULZCHKYKRCAFA-ZBEGNZNMSA-N 313.357 2.315 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N2CC(Oc3cccnc3)C2)c1 238849565 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301.408 2.132 0 40 DEAB O=C(NC[C@H]1CCCO1)c1ccc(Cn2cc(Cl)cn2)cc1 27969626 BQHGYGGYMVRWGQ-OAHLLOKOSA-N 319.792 2.494 0 40 DEAB c1cc(CN2CCN(Cc3nc(C4CC4)no3)CC2)cs1 44000280 GGYQRBZKLLZNGB-UHFFFAOYSA-N 304.419 2.326 0 40 DEAB CC(C)c1nc(S(=O)(=O)N2CCc3sccc3C2)c[nH]1 71921662 LTMAKABWYKHDFN-UHFFFAOYSA-N 311.432 2.342 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)NCc2cccnc2)[C@H]1c1ccccc1 57355480 FPZBUAIVZREQME-SJLPKXTDSA-N 323.396 2.308 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc(F)c1 101214332 MUXOLZVGXFGWAU-QBPKDAKJSA-N 306.333 2.044 0 40 DEAB Cc1cccc(-n2nnnc2C2(N3CCOCC3)CCCC2)c1 35622753 SMJSMVMWCWGMSZ-UHFFFAOYSA-N 313.405 2.072 0 40 DEAB COC(=O)/C(=C1/Oc2cc(C)oc(=O)c2S1)C(F)(F)F 1901617 SLLBSUNKCIFVCJ-UXBLZVDNSA-N 308.233 2.380 0 40 DEAB CN1C[C@H](C(=O)Nc2nc(Cc3ccccc3)cs2)CC1=O 97086061 KPKOTUAQXQNXCB-GFCCVEGCSA-N 315.398 2.151 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)n1 44953223 NINRGALCGICRCC-SNVBAGLBSA-N 301.394 2.167 0 40 DEAB CC(C)N(Cc1cnn(C)c1)C(=O)c1ccnc(-n2ccnc2)c1 58343207 GGBDSQHXZRHRGJ-UHFFFAOYSA-N 324.388 2.052 0 40 DEAB O=C(NC1CC1)C1CCN(Cn2cc(-c3ccccc3)cn2)CC1 58378232 OAHVXTBSEMADKS-UHFFFAOYSA-N 324.428 2.498 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)n2cccn2)c1 28482227 HFQSPFFMUJDTFI-NWDGAFQWSA-N 303.362 2.339 0 40 DEAB O=Cc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 3385950 MCTXOLXMBOMEAD-UHFFFAOYSA-N 301.273 2.434 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)N3CCO[C@H](C)C3)n2)cc1 11500037 ZLNUTVCBXFYXAE-CYBMUJFWSA-N 315.373 2.225 0 40 DEAB C[C@@H]1CCN(C(=O)CCC(=O)N2CCOCC2)[C@@H]2CCCC[C@H]12 45906052 XUEBYEXODQRVFS-BZUAXINKSA-N 322.449 2.053 0 40 DEAB Cc1noc(C)c1CC(=O)NC1CCN(c2ccccn2)CC1 46617210 WERPLHFIQIGWIG-UHFFFAOYSA-N 314.389 2.014 0 40 DEAB Cc1n[nH]c2ncc(CNCCN3CCc4ccccc4C3)cc12 48314933 XHRSAFWWLZORCI-UHFFFAOYSA-N 321.428 2.414 0 40 DEAB CC(C)N1CC[C@@H](N(C)C[C@@H]2OCCc3ccccc32)C1=O 110658085 HMNMJTSVJGWOTM-SJORKVTESA-N 302.418 2.242 0 40 DEAB CNC[C@@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 71142786 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O=C1C[C@@H](c2ccncc2)C2(CCN(Cc3cccnc3)CC2)N1 96061550 SVZYFELSPCFHAS-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB Cc1nc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)cs1 96053797 LAABDHUCMMQKMQ-GASCZTMLSA-N 314.458 2.410 0 40 DEAB CCOC[C@@H]1CN(Cc2cccnc2)Cc2cn(CC)nc21 96059918 STISCMCXAALECK-INIZCTEOSA-N 300.406 2.434 0 40 DEAB Cc1ccc(CC(=O)NCCc2nc(-c3ccccc3)n[nH]2)cn1 97379642 WAVFYCAGYVZASB-UHFFFAOYSA-N 321.384 2.077 0 40 DEAB O=C(c1cscn1)N1CCO[C@@H]2C[C@H](COCC3CC3)C[C@@H]21 247875278 SSPLUDZIMQAWEV-VHDGCEQUSA-N 322.430 2.189 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 257203138 AOVKEEDERJLYGJ-CYBMUJFWSA-N 316.430 2.499 0 40 DEAB CCCN1CCN(C(=O)c2cc([C@H]3CCCN3C)ccn2)CC1 257257202 KONCCMSVUMRTNG-QGZVFWFLSA-N 316.449 2.016 0 40 DEAB CN(C)c1nccnc1C1CCN([C@H]2CCCC[C@H]2O)CC1 299850715 IWDUYFIIBXTTFG-LSDHHAIUSA-N 304.438 2.026 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)Cc2cccnc2)nc(C)n1 257217699 DAFATLJHSBUPRS-OAHLLOKOSA-N 311.389 2.128 0 40 DEAB CC(C)(C)c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCC[C@@H]24)N3)[nH]n1 257317551 VKFXWHNMQHWVFW-VZBWRMENSA-N 316.449 2.452 0 40 DEAB CCO[C@@H]1C[C@@](O)(CNC(=O)[C@H](C)c2ccccc2)C1(C)C 276582654 JWPCKQCXJPZROE-DDUZABMNSA-N 305.418 2.472 0 40 DEAB O=C([C@H](O)c1ccccc1)N1CCC(Oc2ccncc2)CC1 390827951 MJEWALSOVYSXKS-QGZVFWFLSA-N 312.369 2.185 0 40 DEAB CC(C)c1nc(CN2CCCN(c3nccs3)CC2)no1 64401223 NFGCQGNSXBVWNX-UHFFFAOYSA-N 307.423 2.362 0 40 DEAB CCc1nc(CN[C@@H]2CCCN(Cc3noc(C)n3)C2)cs1 69619144 UWIYKPVBQZKCGN-GFCCVEGCSA-N 321.450 2.151 0 40 DEAB C[C@](CO)(CNC(=O)[C@]12C[C@H]1COC21CCC1)c1ccccc1 1548452860 GAVWWMKKPQOPGH-WDYCEAGBSA-N 315.413 2.012 0 40 DEAB Cc1cnc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cn1 32000777 KNHGHCZQALVPNQ-UHFFFAOYSA-N 324.384 2.202 0 40 DEAB O=C(c1scnc1Cl)N1CCN(Cc2ccco2)CC1 84432979 JVOWAQIMCBBHHY-UHFFFAOYSA-N 311.794 2.348 0 40 DEAB C[C@H](NC(=O)CSC(C)(C)C)c1ccc(OCC(N)=O)cc1 78875267 CMFZXSNELJQHNT-NSHDSACASA-N 324.446 2.260 0 40 DEAB COCC[C@@H](C)NS(=O)(=O)c1cccc2ccc(C)nc12 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CC(C)[C@H](NC(=O)C1CC1)c1cc(=O)[nH]c(-c2cccnc2)n1 19445625 YOSMAEWCNNDYBM-HNNXBMFYSA-N 312.373 2.055 0 40 DEAB Cc1cc(C)n2nc(C(=O)N3CC[C@@H](c4ccccc4)C3)nc2n1 19656585 BFPDUSPHPQWZCC-OAHLLOKOSA-N 321.384 2.371 0 40 DEAB CCn1cncc1C(=O)N1CCC([C@@H]2CCCCN2C)CC1 19747068 VWQNZOHKTUWOJM-HNNXBMFYSA-N 304.438 2.240 0 40 DEAB Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)n1 575413953 XQICUOFHMYUOJG-LBPRGKRZSA-N 318.402 2.152 0 40 DEAB CN1Cc2c(-c3noc(C4CC4)n3)ncn2-c2ccccc2C1=O 6019 YZIWCURGXWGKPE-UHFFFAOYSA-N 321.340 2.385 0 40 DEAB COc1ccc(CNC(=O)NCC2(OC)CCSCC2)cc1 225594420 SQYJUMWWUNHMDJ-UHFFFAOYSA-N 324.446 2.407 0 40 DEAB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1ccccc1 9155586 GDIVAUZKVLFWTD-HNNXBMFYSA-N 318.373 2.236 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1C 7130815 KFAVPDQGUYGHKQ-NSHDSACASA-N 308.378 2.294 0 40 DEAB CCc1nn2c(=O)cc(CN3C[C@H](C)C[C@@H](C)C3)nc2s1 23698323 XUWDUTMKPCZGDX-GHMZBOCLSA-N 306.435 2.191 0 40 DEAB COc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12 2712189 HLZNNRVLHLBZJT-UHFFFAOYSA-N 314.385 2.459 0 40 DEAB Cc1ccc2c(CC(=O)NCc3ccncc3)cc(=O)oc2c1 9704964 NLNOCFMMQQWJBW-UHFFFAOYSA-N 308.337 2.355 0 40 DEAB O=c1[nH]c(N2CCN(Cc3ccccc3)CC2)nc2ccccc12 24195297 PNLNMKQYPUQOIC-UHFFFAOYSA-N 320.396 2.245 0 40 DEAB Cc1cc(-c2noc(CNC(=O)c3sccc3C)n2)no1 575617195 QOJPWYWFWSMPOZ-UHFFFAOYSA-N 304.331 2.333 0 40 DEAB COc1cccc(COCC(=O)NCCN(C(C)C)C(C)C)c1 40107259 RBQDMBINEZTHJJ-UHFFFAOYSA-N 322.449 2.447 0 40 DEAB COc1cc(C(=O)NCc2ccc(C)nc2)cc2c1OCCO2 40541907 MDLODQIYKLETRP-UHFFFAOYSA-N 314.341 2.100 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1C 32930694 LDZQCZZJYHGFJN-UHFFFAOYSA-N 323.396 2.492 0 40 DEAB COc1cc(C(=O)O[C@@H](C)CN2CCCC2)cc(OC)c1OC 531404 MXLXLDMDPYBBDH-LBPRGKRZSA-N 323.389 2.354 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)N1CCO[C@H]2CCC[C@@H]21 53382184 ZPOGLGHGXINCNR-KBPBESRZSA-N 303.358 2.128 0 40 DEAB C[C@@H]1CN(C(=O)NCc2csc(Br)c2)CCO1 47042285 NOTKNCCIBWIBPR-MRVPVSSYSA-N 319.224 2.441 0 40 DEAB CCn1cnnc1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 47021228 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COc1ccc([C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C2CC2)cc1 44403503 KANBLQFJAHBCEF-WMLDXEAASA-N 316.401 2.131 0 40 DEAB CC(C)C[C@@H](C)N(C)C(=O)NCCNC(=O)Cc1ccccc1 58169042 DNQMXFFBHSKHHI-OAHLLOKOSA-N 319.449 2.421 0 40 DEAB CN(C(=O)c1ccc(-c2ncon2)cc1)[C@@H](CO)C(C)(C)C 97112937 YULHBPRFBNOCPJ-ZDUSSCGKSA-N 303.362 2.216 0 40 DEAB Cc1cccc(/C=C/C(=O)NCCc2nnc3ccccn23)c1 44889236 LMYXCXPTSJCRRA-CMDGGOBGSA-N 306.369 2.410 0 40 DEAB c1ccn2c([C@H]3CCCN3Cc3nc(C4CC4)no3)nnc2c1 44908287 LNAWKFPIAXBHQS-GFCCVEGCSA-N 310.361 2.327 0 40 DEAB CCOC(=O)C1CCN(C(=O)Nc2cccnc2OCC)CC1 48207416 RKJGJMCNWXNFSI-UHFFFAOYSA-N 321.377 2.287 0 40 DEAB Cc1cc(CNC(=O)c2cccnc2N2CCCCC2)on1 58407112 LHANVMLONAAPKM-UHFFFAOYSA-N 300.362 2.298 0 40 DEAB COC(=O)N[C@@H](C(=O)Nc1ccc(C)c2cn[nH]c12)C(C)C 95394064 DEANIXBYBSFMSQ-GFCCVEGCSA-N 304.350 2.190 0 40 DEAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)n2cccn2)c(OC)c1 45426167 JEQDAEDVNSUJKY-VXGBXAGGSA-N 303.362 2.339 0 40 DEAB CCn1nccc1C(=O)N[C@@H](C)c1cc(OC)ccc1OC 28238290 IZOCIQKQGRHRSZ-NSHDSACASA-N 303.362 2.411 0 40 DEAB O=c1[nH]c2ccccc2c(=O)n1C[C@H](O)c1ccc(Cl)cc1 29303129 GGQIHFOIXWIPKE-AWEZNQCLSA-N 316.744 2.077 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)Nc1nc2ccccc2s1 45954936 PQRAQOYWWYXXIC-LLVKDONJSA-N 320.418 2.139 0 40 DEAB O=C(CNc1cc2c(cc1Cl)OCCO2)NCC(F)(F)F 29691717 LVLCPOXINOIKPD-UHFFFAOYSA-N 324.686 2.202 0 40 DEAB CN1CCN(CCCNC(=O)C2CCC2)[C@H](c2ccccc2)C1 46388204 CGNYIONDJISFNZ-SFHVURJKSA-N 315.461 2.282 0 40 DEAB CN(C)C(=O)COC(=O)c1cccnc1Nc1ccccc1F 2636479 SMVBPYTVXKOVDR-UHFFFAOYSA-N 317.320 2.209 0 40 DEAB Cc1csc(=O)n1CCC(=O)N[C@H]1CCOc2ccccc21 28665447 BKPANNNERWUHIQ-ZDUSSCGKSA-N 318.398 2.248 0 40 DEAB Cc1ccnc2nc(C(=O)NCc3ccccc3Cl)nn12 3412206 UIVAZPALVMIPIK-UHFFFAOYSA-N 301.737 2.016 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1ccc2nccnc2n1 63508016 USUHAPOHYLRTDF-UHFFFAOYSA-N 308.341 2.432 0 40 DEAB COC(=O)[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 64844585 OSQSZZLJDGDIRX-JKSUJKDBSA-N 311.337 2.021 0 40 DEAB O=C(Cc1ccccc1C(=O)O)Nc1nnc(C2CC2)s1 71287458 WANGTSYSEJGRKB-UHFFFAOYSA-N 303.343 2.295 0 40 DEAB Cc1csc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)n1 65541306 KOKZMFYSFAKJSF-RYUDHWBXSA-N 324.450 2.040 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)NCCc2cccs2)C1 65622350 ZSMRCFPXUKEOPB-LBPRGKRZSA-N 319.434 2.008 0 40 DEAB CCN1CCC[C@@H]1CNC(=S)NCc1ccc(OC)cc1 6509268 DQRGBXSBLIJLKR-CQSZACIVSA-N 307.463 2.144 0 40 DEAB C[C@H]1C[C@H](OC(=O)c2ccc(N3CCCCCC3)nc2)C(=O)O1 84686111 XCSVXCQRJHVUBS-JSGCOSHPSA-N 318.373 2.323 0 40 DEAB CNC(=O)CN1CCC(CN(C)Cc2ccc(F)c(C)c2)CC1 93564915 RDPUWCWFSFLPBT-UHFFFAOYSA-N 321.440 2.024 0 40 DEAB C[C@H](NC(=O)CCC1CCCC1)c1ccc(S(N)(=O)=O)cc1 7781198 CBUUEEADQDJFGU-LBPRGKRZSA-N 324.446 2.482 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)cc1 16443762 KYJJVNVQYKQHRD-UPJWGTAASA-N 304.390 2.325 0 40 DEAB COc1ccc(-c2n[nH]cc2C(=O)NC[C@H]2CCCCO2)cc1 96430728 XSEAOGUFOWLPBD-CQSZACIVSA-N 315.373 2.384 0 40 DEAB CS[C@H](C)CNC(=O)N1CCO[C@@H](Cc2ccccc2)C1 96494047 APDJKWMFRIYMBF-HIFRSBDPSA-N 308.447 2.391 0 40 DEAB O=C(COc1nnc2ccccn12)Nc1ccccc1Cl 8224837 GNXDUGWKBVNIQR-UHFFFAOYSA-N 302.721 2.400 0 40 DEAB COC(=O)c1occc1[C@H]1NC2(CCCC2)C(=O)N1CC1CC1 95408368 CWLXHRIQAOWSAE-AWEZNQCLSA-N 318.373 2.219 0 40 DEAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1occc1C 69461337 PWOZTNPWPIAXQD-KRWDZBQOSA-N 317.341 2.329 0 40 DEAB Cc1cccc(OCC(=O)N2CCCC[C@H]2C2OCCO2)c1 69452025 QRJQDAXZSRHPLN-HNNXBMFYSA-N 305.374 2.128 0 40 DEAB CC(C)N1CCC(NC(=O)c2ccc(CN(C)C)cc2)CC1 69444293 NMRQNCJFNICOTD-UHFFFAOYSA-N 303.450 2.351 0 40 DEAB CCCC(=O)NC[C@H]1CCCN(C(=O)COc2ccccc2)C1 69698918 XPWGVIRAPWLMKR-OAHLLOKOSA-N 318.417 2.220 0 40 DEAB C[C@H](CC[C@H]1CCCO1)NC(=O)N(C)CC1CCN(C)CC1 71803199 IBRHGQIXLDJSPQ-GDBMZVCRSA-N 311.470 2.317 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nnsc1Cl 69870916 MCEYZXLJTKTQED-NWDGAFQWSA-N 314.842 2.167 0 40 DEAB CC(C)N(CC(F)(F)F)C(=O)c1ccc(N2CCCC2)nn1 69811185 IIOUNPCKEWFZAW-UHFFFAOYSA-N 316.327 2.490 0 40 DEAB Cc1cc(C(=O)N2CCn3c(nnc3C(C)C)C2)c2[nH]ncc2c1 69818169 FRZRSNUAOPUPDS-UHFFFAOYSA-N 324.388 2.242 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)Nc1cc(C(C)(C)C)ccc1OC 8780399 HMJTZISPEVFWSX-SNVBAGLBSA-N 307.394 2.249 0 40 DEAB Cn1cnnc1SCC(=O)N1CCSc2ccccc21 8747739 OSCKBYBCXKKUJV-UHFFFAOYSA-N 306.416 2.046 0 40 DEAB COc1ccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)cc1Cl 19937455 DKTMQNYJIGPHBS-UHFFFAOYSA-N 321.764 2.230 0 40 DEAB CNC(=O)c1ccc(CN(CCOC)CC(F)(F)F)cc1 71900592 IZRHAAQHXKRQOM-UHFFFAOYSA-N 304.312 2.057 0 40 DEAB COc1nc(C)nc(NCc2ccc([S@@](C)=O)cc2)c1C 97097188 QSOVBTDCIJZNMY-NRFANRHFSA-N 305.403 2.452 0 40 DEAB CN(Cc1ccc(C(=O)O)cc1)C(=O)Cn1ncc2ccccc21 97018497 RUJSPJLKFWTVLA-UHFFFAOYSA-N 323.352 2.393 0 40 DEAB Cn1cc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cn1 95954270 MGNUYYOPGCVJQO-NEPJUHHUSA-N 303.328 2.448 0 40 DEAB CCc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 408493733 CHEBKORZRZOVPL-MJBXVCDLSA-N 307.415 2.490 0 40 DEAB O=C(Nc1cc(Br)ccc1F)C(=O)NC1CCC1 75142893 MIOINKAFSLHAJK-UHFFFAOYSA-N 315.142 2.195 0 40 DEAB COCCN1CCC(CNC(=O)Cc2ccccc2Cl)CC1 38582874 BTFYXFGDKRLTCI-UHFFFAOYSA-N 324.852 2.357 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(OC)cc1OC 33447490 JRFLXRPALDHHMK-YTXTXJHMSA-N 305.330 2.318 0 40 DEAB CCOC(=O)c1c(SC)nn(C(=O)Cc2ccccc2)c1N 3851888 DHPJILNLVANFOB-UHFFFAOYSA-N 319.386 2.247 0 40 DEAB biogenic Cc1nnnn1-c1ccccc1C(=O)N1CCc2ccccc2C1 72404484 JZWMAHFIZYNCJZ-UHFFFAOYSA-N 319.368 2.169 0 40 DEAB CC(C)(C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC1CC1 217440010 FPHPQHCQROBNBN-UHFFFAOYSA-N 312.391 2.036 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)c2cscn2)cc1 129073350 WWTAHBJREJAIRZ-NSHDSACASA-N 324.427 2.044 0 40 DEAB COc1cccc(CNC(=O)NC[C@](C)(O)c2ccsc2)c1 77512155 LWCONTVYEULSAJ-INIZCTEOSA-N 320.414 2.464 0 40 DEAB Cn1cc(C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)cn1 72351225 YLDAAEFGXWJKHY-ZDUSSCGKSA-N 309.373 2.316 0 40 DEAB Cc1cc(C(=O)N[C@](C)(C(N)=O)c2ccccc2)ccc1F 78418932 DEQIHGMZJVGRHC-KRWDZBQOSA-N 300.333 2.265 0 40 DEAB c1cnc(Nc2nccc([C@@H]3CCCN3Cc3ncc[nH]3)n2)cn1 72378055 PHHJYSVTQYCKDW-ZDUSSCGKSA-N 322.376 2.070 0 40 DEAB CS(=O)(=O)CCC(=O)N1CC[C@H]1c1ccc(Cl)cc1 75159230 TZEJSFLGVTYGDF-LBPRGKRZSA-N 301.795 2.048 0 40 DEAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](c2nnn[nH]2)C1 195546855 OPPDYWOJXUYGIY-IJLUTSLNSA-N 317.418 2.079 0 40 DEAB CN(CC(F)(F)F)C(=O)Nc1ccccc1Cn1cncn1 195576259 GYXHHIATXZOVPM-UHFFFAOYSA-N 313.283 2.352 0 40 DEAB O=C(O)CCCS(=O)(=O)N1CCC(c2ccsc2)CC1 570798362 YOXBTQQXFXDBSV-UHFFFAOYSA-N 317.432 2.122 0 40 DEAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCOCC3)cc2)n1 225913854 GXWNEFHQZMHVEW-UHFFFAOYSA-N 312.373 2.309 0 40 DEAB CCCNC(=S)Nc1nc(C)cc(Sc2ncccn2)n1 225886841 MMBYFFBHWWCTIF-UHFFFAOYSA-N 320.447 2.423 0 40 DEAB C[C@@H](SCc1ccccc1)C(=O)NCCCN1CCOCC1 44880786 WDJNTBQGEREVDO-OAHLLOKOSA-N 322.474 2.147 0 40 DEAB COc1cccc2c1ccn2CC(=O)NCCCCCC(=O)O 40309371 GUUBBPLDHGIXRD-UHFFFAOYSA-N 318.373 2.411 0 40 DEAB biogenic Cc1ccc(O[C@H]2CCCN(C(=O)Cc3cccs3)C2)nn1 225460869 RZCWNXPHBZMOMW-ZDUSSCGKSA-N 317.414 2.459 0 40 DEAB Cc1cc(C(=O)NC[C@@](C)(Cc2ccccc2)[C@@H](C)O)on1 192056424 KRAAYUQRHDGVCK-CXAGYDPISA-N 302.374 2.343 0 40 DEAB COC(=O)[C@H](C)CN(C(=O)c1n[nH]c2c1CCCCC2)C1CC1 190588731 IFCJJCZISWAIEU-LLVKDONJSA-N 319.405 2.092 0 40 DEAB CC(C)[C@@H](NC1CCOCC1)C(=O)Nc1cnc(C2CC2)nc1 96487472 XEWIAZVNUJACMK-OAHLLOKOSA-N 318.421 2.086 0 40 DEAB COc1cc(-c2nc([C@H](N)C(C)C)n[nH]2)cc(OC)c1OC 95534709 XTJOIVYRTHGUNU-GFCCVEGCSA-N 306.366 2.153 0 40 DEAB COc1ccc(N2C[C@]3(CCN(C(=O)C4CC4)C3)CC2=O)cc1 96239002 QHLIXXJRXSJRLO-GOSISDBHSA-N 314.385 2.061 0 40 DEAB COc1c(NS(=O)(=O)c2ccc(C)c(C)c2)c(C)nn1C 96407102 ACZWZARVZNIDFX-UHFFFAOYSA-N 309.391 2.155 0 40 DEAB O=C(NCc1nc(C(=O)O)cs1)c1ccc2cc[nH]c2c1 90932519 VSGTWJYHNSVIMF-UHFFFAOYSA-N 301.327 2.253 0 40 DEAB C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NCCn1ccnc1 97233637 GELCXZNEOZPOBM-KBPBESRZSA-N 308.426 2.118 0 40 DEAB Cc1c(Cl)cccc1OCC(=O)N1CCCn2ncnc21 96412355 KBLMYCWZUREWQQ-UHFFFAOYSA-N 306.753 2.056 0 40 DEAB CCn1nc(C)c(NC(=O)Nc2ccccc2C)c1C(N)=O 96182131 NREUBFBFKBDWSO-UHFFFAOYSA-N 301.350 2.263 0 40 DEAB OC[C@H]1CCC2(CCOCC2)CN1C[C@@H](O)c1ccc(F)cc1 528642569 ZBNIEESOBZNONK-IAGOWNOFSA-N 323.408 2.113 0 40 DEAB CO[C@H]1CN(C(=O)CCc2ccc(F)cc2)C[C@@]12CCCO2 257214203 CLAGFBNXJAXMKJ-RDJZCZTQSA-N 307.365 2.165 0 40 DEAB O=C(NCc1ccc(Cl)cc1)N[C@H]1CCn2nccc2C1 253473203 SPHUQIZHMSXVPO-ZDUSSCGKSA-N 304.781 2.351 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccc4c3OCCO4)C2)n1 257293412 QPJMTRRIBFXOQN-GFCCVEGCSA-N 313.357 2.119 0 40 DEAB CCN(CC)C[C@H]1CN(C(=O)c2occc2C)Cc2ccnn21 575403755 JOBWGJSFXLTCSA-HNNXBMFYSA-N 316.405 2.323 0 40 DEAB Cn1cnc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)c1 585274834 PAWRWGLNYYXTKB-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB Cc1nc(CN2CCCN(c3cnc4ccccc4n3)CC2)no1 69653163 KOMWFYPBGIOEQB-UHFFFAOYSA-N 324.388 2.034 0 40 DEAB O=C(NCCc1cn[nH]c1)Nc1ncc(C2CCOCC2)s1 1548453521 JZVGDVWOYMQSND-UHFFFAOYSA-N 321.406 2.124 0 40 DEAB CCc1noc([C@H](C)N2CCC(c3nnc4n3CCC4)CC2)n1 47258599 JGFMBWCFYQTNJK-NSHDSACASA-N 316.409 2.110 0 40 DEAB Cc1cc(F)ccc1CCNC(=O)NCCC1(C)OCCO1 97115819 GFJVVKUXDUXSJK-UHFFFAOYSA-N 310.369 2.129 0 40 DEAB Nc1nccnc1C(=O)N1CCc2c1cccc2C(F)(F)F 97376608 AAKCLFXRHJRDES-UHFFFAOYSA-N 308.263 2.281 0 40 DEAB c1nc(OCC2CCN(C[C@@H]3CCOC3)CC2)cc(C2CC2)n1 1565522152 TVWAIQVAAVWEKJ-HNNXBMFYSA-N 317.433 2.481 0 40 DEAB CNC(=O)[C@H]1CCCN1C(=O)CCNc1ccc(C)c(Cl)c1 80650217 BPBUISKQDOHYKW-CQSZACIVSA-N 323.824 2.187 0 40 DEAB C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCCCC2)C1=O 14711085 MCIKKFLQYQIGSJ-ZDUSSCGKSA-N 302.374 2.203 0 40 DEAB O=C(O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccccc1 19371706 OMZRNAXQJKWLAQ-GOSISDBHSA-N 310.397 2.458 0 40 DEAB O[C@]12C[C@H]3[C@@H]4C[C@H]5[C@@H]([C@@H]41)C(Br)(Br)[C@H]2[C@H]35 169795848 OOJNESNZJVMXNF-RPYMPUDXSA-N 320.024 2.365 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 2616986 OEWFFYQKKSWGPU-IYNQXMMISA-N 305.374 2.412 0 40 DEAB O=C(Cc1ccccc1Cl)N[C@@H]1CC[C@@H]2OCCO[C@H]2C1 240002231 PPSJJEYEQPUWQV-SNPRPXQTSA-N 309.793 2.335 0 40 DEAB NC(=O)c1ccccc1OCC(=O)NCc1cccc(Cl)c1 3324210 DWUFFPCEQKZBJH-UHFFFAOYSA-N 318.760 2.134 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1 5120441 GLZSCTUMRLQHPY-NSHDSACASA-N 319.386 2.080 0 40 DEAB O=S(=O)(NCc1cccnc1)c1ccc(F)c(Cl)c1 5120557 PBQRLJRIQYNQLX-UHFFFAOYSA-N 300.742 2.353 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)c3csc(C)n3)C2)nc1 238969883 ZHNOFHAGSDFXCU-LBPRGKRZSA-N 303.387 2.448 0 40 DEAB CO[C@@H](CCSC)CNC(=O)NCc1ccc(F)cc1 1775967398 QCIXLBJWIXSMFE-ZDUSSCGKSA-N 300.399 2.393 0 40 DEAB Cc1nnc(S/C(=C\c2ccc3c(c2)OCO3)C(=O)O)[nH]1 6129888 SSYSATUFBDSWML-WZUFQYTHSA-N 305.315 2.060 0 40 DEAB Cn1c(CN2CCC[C@H]2C(C)(C)O)nnc1-c1ccccc1 95978825 OQWJVKUQOCSYTH-AWEZNQCLSA-N 300.406 2.217 0 40 DEAB COC(=O)c1ccccc1NCC(=O)NCCc1ccccc1 40005727 KTYJORFWPGDLQC-UHFFFAOYSA-N 312.369 2.244 0 40 DEAB COc1ccc(O[C@H](C)C(=O)NC2CCN(C(C)C)CC2)cc1 20549625 GPOXVJBSSAGADL-CQSZACIVSA-N 320.433 2.452 0 40 DEAB O=C1COc2cc(C(=O)NCc3ccccc3F)ccc2N1 21896014 CAPNIMVHZXYVJY-UHFFFAOYSA-N 300.289 2.087 0 40 DEAB CCCCN1C(=O)CC[C@@H](C(N)=O)[C@@H]1c1ccccc1OC 52948629 LHSOVNHWCVJLQD-CJNGLKHVSA-N 304.390 2.260 0 40 DEAB O=C1N(CN2CCCCC2)c2ccccc2C12OCCCO2 82994 ROJUHXAXUBWTQY-UHFFFAOYSA-N 302.374 2.066 0 40 DEAB CCOC(=O)n1ccc(C(=O)Nc2ccc(C(C)=O)cc2)n1 104598 DVVCACUCEZKJED-UHFFFAOYSA-N 301.302 2.343 0 40 DEAB CC(C)c1n[nH]c([C@H]2CN(C(=O)[C@@H]3CC=CCC3)CCO2)n1 78889135 IKTZVLDMLZNXRZ-CHWSQXEVSA-N 304.394 2.184 0 40 DEAB CN(C)c1nc(CNC(=O)N[C@H]2COc3ccccc32)cs1 78987789 RMHIAXHJECQTFK-LBPRGKRZSA-N 318.402 2.142 0 40 DEAB O=C(NC1CCN(C(=O)c2ccoc2)CC1)[C@@H]1CC=CCC1 22955144 XSVLWXGFAGEIKW-CYBMUJFWSA-N 302.374 2.357 0 40 DEAB Cn1c(SCC(=O)N2CCCCCC2)nc2cccnc21 4853169 IOJCOVUBDJZWMS-UHFFFAOYSA-N 304.419 2.463 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)Nc1nnc(C2CC2)s1 6322622 NENDPTOZWVKYCW-UHFFFAOYSA-N 317.370 2.368 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C)c(Cl)c1 6953125 PGUDLTPRLGRWEE-CYBMUJFWSA-N 323.824 2.187 0 40 DEAB CCC(=O)Nc1cc(-c2nn3cnnc3s2)ccc1OC 10119880 FWDFGWALRRYIFY-UHFFFAOYSA-N 303.347 2.210 0 40 DEAB Cn1cccc1[C@H]1CCCN1Cc1nnnn1-c1ccccc1 24990558 APPIFHVEKLGISN-MRXNPFEDSA-N 308.389 2.338 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N(C)C1Cc2ccccc2C1 57018549 GIBYHPKLAHAHQV-UHFFFAOYSA-N 306.387 2.079 0 40 DEAB c1ccc(CN2CCO[C@@H]3CN(C[C@H]4CCCCO4)C[C@H]32)cc1 108106749 NTGQMHKEXXMLGL-GUDVDZBRSA-N 316.445 2.141 0 40 DEAB O[C@@H](CNc1ncnc2[nH]ncc12)c1ccc(Cl)c(F)c1 97230170 PZBMEANRAMRPPP-NSHDSACASA-N 307.716 2.291 0 40 DEAB CN(CCO)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 58135290 SYZOQEZRZOOGCM-INIZCTEOSA-N 302.349 2.430 0 40 DEAB COc1ccc(CC(=O)N2CCN(c3nccs3)CC2)cc1 10269881 KBHAXXVQRPPFJZ-UHFFFAOYSA-N 317.414 2.043 0 40 DEAB C[C@H](C(=O)NCc1cccnc1OC1CCCC1)n1ccnc1 44977704 FGFZWILZKUTYRY-CYBMUJFWSA-N 314.389 2.477 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccnc(-n3cccn3)c2)C1 44968710 XKPXBEQYRUCMDU-OKILXGFUSA-N 313.405 2.455 0 40 DEAB Cc1ccc(C(=O)CCC(=O)N(C)Cc2cnn(C)c2)s1 48273383 QPPITDFXQHVDAN-UHFFFAOYSA-N 305.403 2.412 0 40 DEAB C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H](C)O1 58392252 FEZDBVXQDRLZKX-VXGBXAGGSA-N 306.362 2.489 0 40 DEAB Cc1ccoc1C(=O)NCc1ccccc1N1CCOCC1 58416553 NJWJEIBGUDUJPN-UHFFFAOYSA-N 300.358 2.355 0 40 DEAB Cc1cc(C)n2nc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)nc2n1 102223911 CRVRIGQWJQVOOC-SYQHCUMBSA-N 313.405 2.296 0 40 DEAB Cc1cc(C(=O)N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(C)o1 101404433 MZHZXQZDOOYFCI-KBPBESRZSA-N 312.369 2.318 0 40 DEAB O=C([C@@H]1CCOc2ccccc21)N1CCC[C@@H](n2cncn2)C1 72235106 DYOWPWVFTVXIRZ-UKRRQHHQSA-N 312.373 2.008 0 40 DEAB Cc1nnnn1-c1cccc(NC(=O)NC2CCCCC2)c1 45687912 REAYWDDRJRYLHF-UHFFFAOYSA-N 300.366 2.425 0 40 DEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC3)ccc21 57280346 BLNHAYQCGAIAQX-UHFFFAOYSA-N 322.430 2.115 0 40 DEAB Cn1cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cn1 11418513 ZODOOKJRBOLWJS-UHFFFAOYSA-N 318.764 2.453 0 40 DEAB C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)NCCCC(N)=O 45756511 RHBYDHWCDMJDJU-MRVPVSSYSA-N 319.188 2.142 0 40 DEAB c1nc2nc3c(c(NCc4ccc5c(c4)OCO5)n2n1)CCCC3 20493994 VLLKVPZLNGXYGN-UHFFFAOYSA-N 323.356 2.344 0 40 DEAB CC(C)NC(=O)CCC(=O)N1CCc2[nH]c3ccccc3c2C1 20762608 MYGXIZFYFFHGCN-UHFFFAOYSA-N 313.401 2.357 0 40 DEAB biogenic CN1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 3351051 NHDYHDLASIEENE-UHFFFAOYSA-N 323.245 2.320 0 40 DEAB Cn1cccc1[C@H]1COCCN1C(=O)c1noc2c1CCCC2 97144090 INANUDKNQSDPGN-CQSZACIVSA-N 315.373 2.106 0 40 DEAB CCCCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341944 XTZLDKNXOGPFEU-UHFFFAOYSA-N 304.799 2.241 0 40 DEAB CCCC(=O)Nc1ccc(N2CCN(C(=O)CC)CC2)cc1 4121829 QWKWZCNVVLBTOC-UHFFFAOYSA-N 303.406 2.484 0 40 DEAB Cc1nc(-c2ccccc2Cl)nc(N2CCNC(=O)C2)c1C 65530952 ADGQATLFEFGOKW-UHFFFAOYSA-N 316.792 2.350 0 40 DEAB CC[C@@H]1CCc2c(sc(=O)n2CC(=O)N2CCCCC2)C1 65537894 JSEKPTVTXNVPJV-GFCCVEGCSA-N 308.447 2.437 0 40 DEAB O=C(NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 14140201 CPXSOGSGXVBELF-UHFFFAOYSA-N 310.397 2.449 0 40 DEAB CCN1CCN(C(=O)[C@H](C)N(C)Cc2ccccc2Cl)CC1 67471756 PQKVPYVSKCUZDR-AWEZNQCLSA-N 323.868 2.324 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NCCn2c(C)nc3ccccc32)c1 7117821 NVFFVVBGLRRPGG-UHFFFAOYSA-N 310.357 2.305 0 40 DEAB Cc1ccc(OC2CCN(C(=O)c3cc(C)on3)CC2)nc1 97046266 ITRCENVOSWWOIC-UHFFFAOYSA-N 301.346 2.370 0 40 DEAB O=C(NC[C@H]1CCCO1)c1cccc(CNC(=O)C2CCC2)c1 67932940 KYKWOMVYZWXZFC-MRXNPFEDSA-N 316.401 2.012 0 40 DEAB COCCNC(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 96431279 FDNNWAVCEORMKI-TZMCWYRMSA-N 311.451 2.077 0 40 DEAB CC(C)(C)OC(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 409421784 QNRZKOZQMDNJCQ-QMMMGPOBSA-N 320.315 2.428 0 40 DEAB C[C@H](C1CC1)N(C)S(=O)(=O)N1CC[C@H](Nc2ccccc2)C1 69122314 LZQQWBBSWWIHTQ-CJNGLKHVSA-N 323.462 2.148 0 40 DEAB Cc1ccc(NC(=O)CCC(=O)N2CCOCC2)cc1Cl 8288084 UFYXCICLBOLDBJ-UHFFFAOYSA-N 310.781 2.226 0 40 DEAB CCN1C[C@@H](CN(C)c2cc(C)nc(N)n2)Oc2ccccc21 71886827 JMGGOGORHANDPK-CYBMUJFWSA-N 313.405 2.091 0 40 DEAB CC(C)(O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 70038756 QRJICQMNPILZMC-UHFFFAOYSA-N 322.424 2.018 0 40 DEAB CCn1c([C@H]2CCCN(C(=O)[C@H](C)SC)C2)n[nH]c1=S 69485287 HYSSMGOFWLQMJC-UWVGGRQHSA-N 314.480 2.418 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)c2ccccc2O)c1 69589492 VWIPGVXKTPUCIZ-UHFFFAOYSA-N 314.341 2.159 0 40 DEAB O=C(CCCNC(=O)Nc1ccc(F)cc1)Nc1cn[nH]c1 69631195 XRPCSWQUZYGLOY-UHFFFAOYSA-N 305.313 2.089 0 40 DEAB Cc1nnnn1-c1cc(NC(=O)NCc2ccco2)ccc1F 69716689 RGFGBXCXJYXFDR-UHFFFAOYSA-N 316.296 2.025 0 40 DEAB Cn1c(CS[C@@H]2CCCc3ccccc32)cc(=O)n(C)c1=O 69701769 CCSIAERJDYKNEP-OAHLLOKOSA-N 316.426 2.395 0 40 DEAB CC1(NC(=O)NCCOC[C@H]2CCCO2)Cc2ccccc2C1 92245386 UGKRZLBCXNORFB-MRXNPFEDSA-N 318.417 2.039 0 40 DEAB CC[C@]1(C(=O)OC)C[C@@H](C(=O)O)[C@H](c2ccc(F)cc2)N1C 8730132 VKNSHFZHNUXUHI-DVOMOZLQSA-N 309.337 2.225 0 40 DEAB O=C(NCCc1cccs1)N1CCN(Cc2ccco2)CC1 84432971 NMOONANROMWCBE-UHFFFAOYSA-N 319.430 2.411 0 40 DEAB O=C(NCCn1c(=O)oc2ccccc21)NC(C1CC1)C1CC1 95389629 QPAJSMDSMOVVDF-UHFFFAOYSA-N 315.373 2.082 0 40 DEAB C[C@H](CCO)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 84637392 PSWSJQKOYPLRHZ-GFCCVEGCSA-N 322.405 2.212 0 40 DEAB CC(C)(C)NC(=O)[C@@H]1CCCCN1c1ccc2nccnc2n1 95415018 GZBMTYCCTKRKSE-ZDUSSCGKSA-N 313.405 2.298 0 40 DEAB CC[C@H](C(=O)N[C@H](C)[C@@H](C)Oc1ccccc1)N1CCCC1=O 95404442 NIPCIGVSIRKVME-IIAWOOMASA-N 318.417 2.360 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1sccc1C)CC2 95400741 ACJGJICGTYBTGR-OLZOCXBDSA-N 309.431 2.449 0 40 DEAB O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)c1cncc(O)c1 95988485 LVQQZCRILUUHAU-LSDHHAIUSA-N 320.295 2.325 0 40 DEAB O=C(NC[C@H]1CCCC[C@H]1O)c1cccc(-c2nnco2)c1 95996859 YTVDDWXITSKLSE-ZIAGYGMSSA-N 301.346 2.018 0 40 DEAB CCCn1nc(C)c(CNc2ccc(S(C)(=O)=O)nc2)c1C 95940018 OONXSJJZEJOJGI-UHFFFAOYSA-N 322.434 2.321 0 40 DEAB C[C@H](OCC1CC1)C(=O)N(C[C@H]1CCCO1)c1ccncc1 75138510 FIVBXUTVXOLLHN-XJKSGUPXSA-N 304.390 2.409 0 40 DEAB Cc1ccc([C@@H](CNC(=O)N(C)C2CCC2)N2CCOCC2)o1 89652492 FCQUFGZDFSHOHK-OAHLLOKOSA-N 321.421 2.155 0 40 DEAB C[C@@H]1CN(c2ncnc3[nH]cnc23)C[C@H](c2ccsc2)O1 89937039 KYBMRCHTOYTNPD-MWLCHTKSSA-N 301.375 2.381 0 40 DEAB CC(=O)N1CCCN(C(=O)[C@H]2SCCc3sccc32)CC1 89930527 BMTGZTBKMNMUBG-AWEZNQCLSA-N 324.471 2.159 0 40 DEAB COC[C@@H](O)CN(C)C(=O)Nc1ccccc1SC(F)F 75572766 AIUMHAJOINFNPB-VIFPVBQESA-N 320.361 2.472 0 40 DEAB Cc1ncc(COC(=O)c2ccccc2Cn2cncn2)s1 76090075 SOKGAAVDAPCJRO-UHFFFAOYSA-N 314.370 2.448 0 40 DEAB CC(C)(C)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32967617 GCCBYRHUBGRFKG-CYBMUJFWSA-N 324.446 2.002 0 40 DEAB O=C(O)CSC[C@@H]1CCN(C(=O)OCc2ccccc2)C1 79392117 QAVQRUMELPXJCP-CYBMUJFWSA-N 309.387 2.463 0 40 DEAB O=C1C[C@H](C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2N1 25002313 LSOLPKHAMIPELN-LBPRGKRZSA-N 321.336 2.098 0 40 DEAB Ic1cnn(OCc2ccccc2)c1 30677770 VLRXSAMTKJXSPK-UHFFFAOYSA-N 300.099 2.117 0 40 DEAB CSCc1cc(C(=O)N(C)C[C@H](C)c2nnn[nH]2)ccc1F 124049846 JTMRNJZPFYGJTH-VIFPVBQESA-N 323.397 2.078 0 40 DEAB CCSC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 35168736 QTSYIFYKPKIIGD-UHFFFAOYSA-N 319.386 2.114 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1cccc(F)c1 35999990 MUXOLZVGXFGWAU-QAETUUGQSA-N 306.333 2.044 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NC[C@@](C)(O)c1ccsc1 77532024 QHYULBPEBORFPS-XHDPSFHLSA-N 308.403 2.479 0 40 DEAB COc1cccc(CO[C@H](C)C(=O)O[C@H]2C(=O)OCC2(C)C)c1 78768618 QYWSRWGAZCPYHW-RISCZKNCSA-N 322.357 2.095 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)C1CCN(CCO)CC1 79411158 DCSYEJGGQQJNJV-UHFFFAOYSA-N 320.433 2.490 0 40 DEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@@H]1C[C@@H]3C(=O)O)NC2=O 72340988 CCWUXQHRZFPQNH-NSIISWKXSA-N 317.341 2.035 0 40 DEAB CCC(=O)N1CCC[C@@H](c2nccnc2Nc2cnccn2)C1 72362236 KKLMAWONTYNRBF-GFCCVEGCSA-N 312.377 2.126 0 40 DEAB CCN(CCNC(=O)N1C[C@@H](C)[C@H](CO)C1)c1ccccc1C 191056413 LRLXJHMAORQFFA-CVEARBPZSA-N 319.449 2.091 0 40 DEAB COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(=O)c1ccncc1 225486014 WWMKPLVLBWSAQV-CJNGLKHVSA-N 312.369 2.232 0 40 DEAB CCOc1cc(C(=O)NCCC(=O)N(C)C)cc2occc12 223295887 LETWLACBSJHUSM-UHFFFAOYSA-N 304.346 2.040 0 40 DEAB CO[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)s2)[C@@H](CN)C1 195557558 IJTHJZDBAILCTL-GMTAPVOTSA-N 316.854 2.470 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cnc3ccnn3c2)cc1C 225575780 UFOMINHKKCUZKU-UHFFFAOYSA-N 302.359 2.147 0 40 DEAB COC(=O)[C@@H](C)CNC(=O)c1c[nH]nc1-c1ccccc1Cl 96461563 KTYYTDQNXSOWDL-VIFPVBQESA-N 321.764 2.269 0 40 DEAB Cc1ncccc1C(=O)NCCc1csc(N2CCCC2)n1 96410550 BQZYDDUTHCKGGI-UHFFFAOYSA-N 316.430 2.419 0 40 DEAB COc1ccccc1-c1noc(CN2C[C@@H](C)OC[C@H]2C)n1 40501477 SCAFMFIXZFONCH-VXGBXAGGSA-N 303.362 2.354 0 40 DEAB COCCS(=O)(=O)N(C1CC1)[C@H](C)c1ccccc1F 96427803 JNLFALAOMZDFBG-LLVKDONJSA-N 301.383 2.327 0 40 DEAB C[C@H]1CC[C@H](C)N1C(=O)c1cc2c(s1)CCS(=O)(=O)C2 95417054 YDSDNABCZNOWJF-UWVGGRQHSA-N 313.444 2.232 0 40 DEAB O=C(NCCCSc1ncc2ccccn12)C(F)(F)F 96475788 UZQFDJVRWIOTIG-UHFFFAOYSA-N 303.309 2.495 0 40 DEAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CC(=O)N3c2cncnc2)s1 96245938 WPCXFMKTDBKAJT-CABCVRRESA-N 314.414 2.226 0 40 DEAB O=C(CCC(=O)c1ccccc1)N[C@H]1c2ccccc2C[C@H]1O 96449095 SAYHMVCMDVAEQI-MJGOQNOKSA-N 309.365 2.424 0 40 DEAB O=C(NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCCOC1 96473305 MJXLTZBBFUVKOY-SNVBAGLBSA-N 318.295 2.022 0 40 DEAB Cn1cc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)cn1 96184595 TXFTUSSVMUNIRP-CVEARBPZSA-N 302.447 2.330 0 40 DEAB CC(C)(C)OC(=O)N1CCCN([C@@H](C(=O)O)c2ccco2)CC1 90635865 OPLSAKPKNAYAOR-CYBMUJFWSA-N 324.377 2.348 0 40 DEAB c1ccc(CCN2C[C@H]3OC[C@@H](CNc4ncccn4)[C@H]3C2)cc1 248017988 DLSPIHXDBRVWPQ-KZNAEPCWSA-N 324.428 2.078 0 40 DEAB CN1CCC[C@@H](Cc2cccc(N3CCC(O)CC3)n2)CC1 257269743 MRFAEMVRPDYHOG-OAHLLOKOSA-N 303.450 2.317 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C)c1 42623627 CJUCLFDRDUFYLR-OLZOCXBDSA-N 317.341 2.387 0 40 DEAB CCc1nnc(NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)s1 252513910 ARLNGPZTDFZTCS-QWHCGFSZSA-N 316.430 2.384 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)NC2CC2)[C@@H]1c1ccccc1F 257266908 MFCYGIZBIFVFKZ-CJNGLKHVSA-N 304.365 2.404 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc(-c3cccnc3)[nH]n2)n1 257201274 AGZQONWEFJHEEQ-OAHLLOKOSA-N 322.372 2.481 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2ccc(-c3nccs3)cn2)C1 257271069 MWQXUEPHSNIIHS-GFCCVEGCSA-N 323.443 2.344 0 40 DEAB CCCC(=O)N1CC2(C[C@H](OCc3cnccc3C)CCO2)C1 575402908 DMEKTNIKUHGOAO-MRXNPFEDSA-N 318.417 2.467 0 40 DEAB CCN(CC)CC[C@H]1CN(C(=O)C2CCC2)Cc2cncn21 585096350 JTFWXMAZTUAESI-HNNXBMFYSA-N 304.438 2.298 0 40 DEAB COc1cc(CC(=O)N2CCOc3cc(F)c(F)cc32)ccn1 585141940 JCZWRSCXCZBWKG-UHFFFAOYSA-N 320.295 2.337 0 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CCC(=O)NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1 96269337 MBRIUTNABDYYFP-ZDUSSCGKSA-N 303.337 2.114 0 40 DEAB biogenic,in-vitro c1ccc(CN2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)nc1 96042584 JFXFJJPXTPSPLY-NUJGCVRESA-N 311.385 2.287 0 40 DEAB O=C(NCc1ccco1)[C@H]1C[C@@]12CCN(C(=O)c1ccccc1)C2 96227119 ZQRFGOCLKYRCHG-VQIMIIECSA-N 324.380 2.448 0 40 DEAB O=C(C[C@H]1CN(C2CCC2)Cc2ccnn21)NCc1ccco1 247863343 NOQIARKQKAFVQJ-HNNXBMFYSA-N 314.389 2.092 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)c3scnc3C)CCO2)nc1 257259575 KYYIXRVEQABMNK-ZDUSSCGKSA-N 303.387 2.369 0 40 DEAB Cn1cc(-c2ccc(OCC(=O)N3CCSCC3)cc2)cn1 252480033 BSNAXBIGSXCAEG-UHFFFAOYSA-N 317.414 2.041 0 40 DEAB Cc1ccnc([C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 257339957 ZDXIUGLAYPPUGJ-NSHDSACASA-N 309.416 2.025 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 257230085 GATJPMRSKYBDQW-GFCCVEGCSA-N 311.389 2.017 0 40 DEAB COc1cc(N2CCC[C@H](Oc3ncccc3F)C2)ncn1 278709885 JCYDLKVPFXMBFQ-NSHDSACASA-N 304.325 2.067 0 40 DEAB Cc1nc(C(=O)N2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)c[nH]1 281653795 NYBDWVKSBUYMGN-YVEFUNNKSA-N 319.405 2.302 0 40 DEAB CCCCC(=O)N1CC2(C[C@@H](Oc3ccccn3)CCO2)C1 575403261 HHTCFMDHOKFFQR-AWEZNQCLSA-N 304.390 2.411 0 40 DEAB CCCC(=O)N1CC2(C[C@@H](OCc3cccc(C)n3)CCO2)C1 575404321 MXOXBPSKPMRFMU-INIZCTEOSA-N 318.417 2.467 0 40 DEAB COc1ccccc1CNCc1cnc(Br)n1C 585141126 PQRVAJLKVWRUET-UHFFFAOYSA-N 310.195 2.481 0 40 DEAB CN(CCc1ccncc1)c1ccc2nnc(C(F)(F)F)n2n1 68938004 JNARZEIGEYUYPT-UHFFFAOYSA-N 322.294 2.217 0 40 DEAB CC(=O)N1CC[C@H](C(=O)NCC2(c3ccccc3)CCCC2)C1 72314047 PJLJHHXZKWVANX-INIZCTEOSA-N 314.429 2.483 0 40 DEAB Cc1ccc2[nH]c(C(=O)N[C@@H](C(N)=O)c3ccccc3)cc2c1 44011515 QJVWIYXGOHNDNG-MRXNPFEDSA-N 307.353 2.433 0 40 DEAB O=C(Nc1ccn(Cc2ccccc2)n1)c1cn2cccnc2n1 57184477 RERIJZFPAVYEAD-UHFFFAOYSA-N 318.340 2.226 0 40 DEAB Cc1cc(OCC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)no1 76044282 DNPLCGFOYXJGFY-NSHDSACASA-N 320.349 2.232 0 40 DEAB Cc1cc([C@H](C)NC(=O)[C@@H](C)N2C(=O)CCC2=O)c(C)s1 84081803 MSCCXWOZJFBBCP-VHSXEESVSA-N 308.403 2.080 0 40 DEAB Nc1cc(Br)ccc1S(=O)(=O)C(F)(F)F 88064671 CPROTCDPQOHVGY-UHFFFAOYSA-N 304.087 2.325 0 40 DEAB O=C(N[C@H](C(=O)O)c1ccccc1)c1cccc(-n2cccn2)c1 97018003 RXNCBBIXRYRLBL-INIZCTEOSA-N 321.336 2.428 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)c(C)s1 95976000 LODVPUVXDUOPSG-NEPJUHHUSA-N 303.449 2.194 0 40 DEAB Cc1csc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)n1 20016226 AYECDMMZNKSUEM-UHFFFAOYSA-N 316.335 2.090 0 40 DEAB CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 5392410 JVGVOGNYJSDBEU-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@H](c2cccc(Cl)c2Cl)N1 5818861 NQGABRDQLKJHOJ-KOLCDFICSA-N 312.156 2.405 0 40 DEAB O=C(Nc1cc(F)ccc1F)c1cccc(-n2cnnn2)c1 15005285 WGAYWNGSBRWDDX-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB O=C(NC1CCN(c2cc3c(nn2)CCCC3)CC1)C1CCC1 585149337 KLBZSVGEXJEAGI-UHFFFAOYSA-N 314.433 2.241 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)N1CCC(C(F)(F)F)CC1 585149573 HOMRTEMKKKWHIB-WDEREUQCSA-N 320.355 2.196 0 40 DEAB CCCS(=O)(=O)N1CCC(c2nnc(C(C)C)o2)CC1 35597680 ZESKEJYWOLDILS-UHFFFAOYSA-N 301.412 2.112 0 40 DEAB C[C@H]1CN(C(=O)[C@@H](C)N2CCc3ccccc3C2)C[C@@H](C)O1 6113557 WHAKKPAKTZULNF-QLFBSQMISA-N 302.418 2.069 0 40 DEAB C[C@@H](c1ccccc1)N1CCO[C@@H](C(=O)N2CCCCC2)C1 1888844293 RLVUHZXXSJVMQQ-DOTOQJQBSA-N 302.418 2.461 0 40 DEAB O=C(NC[C@@H](O)c1ccc(-n2cccn2)cc1)[C@H]1CC=CCC1 1888854693 ROCGZKQLXBETLC-DOTOQJQBSA-N 311.385 2.378 0 40 DEAB CNc1cc(C)nc([C@H]2CCN(C(=O)C3CCOCC3)C2)c1 1848355412 GDLBUVOBPTXHLW-AWEZNQCLSA-N 303.406 2.174 0 40 DEAB CC(C)(C)C(=O)N[C@@H]1CCc2onc(CN3CCCC3)c2C1 2055738606 BPAPYVJYCPCWIY-GFCCVEGCSA-N 305.422 2.290 0 40 DEAB Cc1ccc(NC(=O)Cn2cnc(C)c(C)c2=O)cc1Cl 49404488 IPWGYKHNZNKSQE-UHFFFAOYSA-N 305.765 2.461 0 40 DEAB O=C(Cn1cccc2cc([C@H]3CCCNC3)nc1-2)N1CCCC1 12234127 XXWLFWDGMJNXGK-HNNXBMFYSA-N 312.417 2.077 0 40 DEAB O=C(NC[C@@]1(O)CCOc2ccccc21)c1ccc(F)c(F)c1 75158098 FYAPCUCXFFXSBO-KRWDZBQOSA-N 319.307 2.365 0 40 DEAB CCn1cc(S(=O)(=O)Nc2ccc(C(C)=O)cc2)nc1C 50265778 NNRDECAEIVCYAA-UHFFFAOYSA-N 307.375 2.215 0 40 DEAB COC(=O)c1cc(NCC(=O)NCc2ccco2)c(F)cc1F 40501271 LMKTYQIZMUPWSF-UHFFFAOYSA-N 324.283 2.073 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2c(C)noc2C)n1 40541195 QOAMGBAIACPWBY-SNVBAGLBSA-N 304.394 2.100 0 40 DEAB Cc1nnnn1-c1cccc(NC(=O)/C=C/c2cccnc2)c1 40516523 MCFZQCYNXJVBBU-BQYQJAHWSA-N 306.329 2.018 0 40 DEAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(O)cc2)CCC[C@H]1C 102172802 KMQWSQPEAMQTIM-XUJVJEKNSA-N 305.374 2.490 0 40 DEAB CCNC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 52615869 JNVZGKLFXZWQOL-UHFFFAOYSA-N 311.385 2.327 0 40 DEAB CCN(CC)[C@H](C)CNC(=O)c1cc(C)nc2c1c(C)nn2C 32922978 YBEFRZPFLRONRC-GFCCVEGCSA-N 317.437 2.045 0 40 DEAB O=C(Oc1ccccc1)N1CCN(C(=O)c2cccnc2)CC1 41395910 IJEMZJBVIVYLMH-UHFFFAOYSA-N 311.341 2.038 0 40 DEAB Cn1ncc2c(O)nc(CN(C3CCCCC3)C3CC3)nc21 52827837 JILWVSJTACKMFN-UHFFFAOYSA-N 301.394 2.366 0 40 DEAB COC(=O)c1cc(CN(C)C(=O)c2ccccc2O)oc1C 21966120 BZZSOYWAWAJWGQ-UHFFFAOYSA-N 303.314 2.352 0 40 DEAB COc1ccc(-n2nnnc2-c2c[nH]c3ccccc3c2=O)cc1 86455 HWNWZKQWEKHLAR-UHFFFAOYSA-N 319.324 2.179 0 40 DEAB Cc1cccc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)c1C 413958 KGVFATKTRWLRFV-UHFFFAOYSA-N 322.372 2.178 0 40 DEAB C[C@H]1CCC[C@H](NC(=O)CSc2nnc(N)s2)[C@@H]1C 4164782 BDHKICHWIZQXSL-YIZRAAEISA-N 300.453 2.153 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 54121581 QDJGFAPOFQVVCT-LLVKDONJSA-N 306.391 2.471 0 40 DEAB O=C(NCCN1CCCCCC1=O)NCc1ccc(F)cc1 47677022 ZKUZXIZSAQGFRD-UHFFFAOYSA-N 307.369 2.028 0 40 DEAB C[C@@H](NCC1(C(N)=O)CCOCC1)C(C)(C)c1ccc(F)cc1 97375028 DBXAGQIEJQMXQQ-CYBMUJFWSA-N 322.424 2.364 0 40 DEAB C[C@@H](O)CNC(=O)N[C@H](C)COc1ccccc1C(F)(F)F 56835766 PQFCHWPABQXHJJ-NXEZZACHSA-N 320.311 2.153 0 40 DEAB Cc1cccc(C2(C(=O)N3CCC(C(N)=O)CC3)CCC2)c1 24599514 FMKZTEJVMVSREK-UHFFFAOYSA-N 300.402 2.141 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)Nc2ccon2)[C@H]1c1cccs1 57355902 LVAWIXCAQJEEIN-RNCFNFMXSA-N 305.359 2.284 0 40 DEAB c1cncc(-c2noc(CN3CCO[C@@H]4CCCC[C@H]43)n2)c1 106751476 LNWQPJZRYVJBRW-ZIAGYGMSSA-N 300.362 2.275 0 40 DEAB Cc1cc(NC(=O)CN(C)[C@@H](C)c2sc(C)nc2C)n(C)n1 106936521 CDOAHOKZHXKMBN-NSHDSACASA-N 321.450 2.433 0 40 DEAB COc1ccc(CNC(=S)NC(=O)c2ccco2)cc1OC 3225732 GKLCBOORSRXSBK-UHFFFAOYSA-N 320.370 2.101 0 40 DEAB Cc1cccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)n1 43613307 KBIMXAODCRKMFZ-UHFFFAOYSA-N 315.417 2.255 0 40 DEAB O=C(NCCNc1ncccn1)C1(c2ccc(F)cc2)CCC1 57060962 CBVCGRPODUXIMR-UHFFFAOYSA-N 314.364 2.266 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CN2C[C@@H](C)OC[C@@H]2C)c(C)c1 27643543 RRHWYPLOTTVQFJ-UONOGXRCSA-N 319.405 2.061 0 40 DEAB Cc1cnc(CNc2ccccc2C(=O)N2CCC[C@H]2CO)o1 95418384 YIAZQWCHHGUZEI-ZDUSSCGKSA-N 315.373 2.192 0 40 DEAB Cc1cccc(C[S@](=O)Cc2nnnn2-c2ccccc2)c1 57991562 JPFQRSZVMLNDQS-JOCHJYFZSA-N 312.398 2.420 0 40 DEAB O=C(NCCNc1ncccn1)c1ccc(C(F)(F)F)cc1 12758417 RNTJJNWUXAEQQL-UHFFFAOYSA-N 310.279 2.337 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H](C)N(C)c2ccccc2)s1 44937021 LKYRAZWHSMTDKM-SNVBAGLBSA-N 305.407 2.493 0 40 DEAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)Nc1cccnc1 44972797 LMWLWQJAOLVRAT-UHFFFAOYSA-N 308.345 2.326 0 40 DEAB COc1ccccc1OCC(=O)N1CCC[C@@H]1CN1CCCC1 58343192 OFJIJUDSIVSRDN-OAHLLOKOSA-N 318.417 2.161 0 40 DEAB O=C(COC(=O)C1(O)CCCC1)N[C@@H](c1ccccc1)C1CC1 84522098 TVQSYBOWESBQFU-INIZCTEOSA-N 317.385 2.102 0 40 DEAB COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)c1cccnc1 95394054 PUDJRFRWZQYRKL-UHFFFAOYSA-N 320.295 2.175 0 40 DEAB Cc1noc(C)c1CCC(=O)NC[C@H](c1ccco1)N(C)C 36655976 YBBWHCODAYQPKU-CQSZACIVSA-N 305.378 2.236 0 40 DEAB CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1ccsc1 28924509 LJDHRDPJWBIDBC-HNNXBMFYSA-N 315.398 2.085 0 40 DEAB O=C(NCc1ccc(N2CCCCC2)nc1)Nc1cn[nH]c1 45877808 XCAIMGDOVIMUCW-UHFFFAOYSA-N 300.366 2.117 0 40 DEAB O=C1CCCc2cc(S(=O)(=O)N3CCCCC3)ccc2N1 20943116 CORJMYFEXZQKLK-UHFFFAOYSA-N 308.403 2.136 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cn1 29665712 WVTPOMFLCYLYGK-AWEZNQCLSA-N 318.446 2.242 0 40 DEAB O=C([C@H]1CCCN1c1ccncc1Cl)N1CCSCC1 84615019 RQTKULIBOIFBDL-CYBMUJFWSA-N 311.838 2.279 0 40 DEAB Cc1cc(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)n(C)n1 63958367 MMVORNHNJSAXQR-UHFFFAOYSA-N 305.382 2.074 0 40 DEAB O=C(N[C@H](CCO)c1ccccc1)c1ncn(-c2ccccc2)n1 97046945 SFCDAVIMTVJSHX-MRXNPFEDSA-N 322.368 2.121 0 40 DEAB C[C@@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(N)=O 4246712 CECJPJWZNFICER-GFCCVEGCSA-N 314.341 2.226 0 40 DEAB COc1ccc(-n2cccn2)c([C@@H]2CC(=O)Nc3n[nH]cc32)c1 65397130 BCRMQXSKKMVPQM-NSHDSACASA-N 309.329 2.078 0 40 DEAB CC(C)N1CC[C@H](N2CCC(CCCn3ccnc3)CC2)C1=O 96008650 XPSNQIKIYSXUER-KRWDZBQOSA-N 318.465 2.385 0 40 DEAB COC(=O)c1c(NC(=O)CNC(C)(C)C)sc2c1CCC2 9365391 XXZFEUHEPTXRFB-UHFFFAOYSA-N 310.419 2.350 0 40 DEAB CCc1csc([C@H]2CCCN(C(=O)CN3CCCC3=O)C2)n1 72282225 ZBUZVTWORMYOBW-LBPRGKRZSA-N 321.446 2.034 0 40 DEAB COc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1F 7945120 KCOGIWQZUHUXCB-UHFFFAOYSA-N 323.345 2.490 0 40 DEAB CN(c1ncccn1)[C@H]1CCN(c2ccccc2Cl)C1=O 70037378 ZYSZLMKNZPYCLX-ZDUSSCGKSA-N 302.765 2.372 0 40 DEAB COC(=O)c1cc(C)sc1NC(=O)N1[C@@H](C)COC[C@@H]1C 17032482 MBFHBEROBZTTDS-IUCAKERBSA-N 312.391 2.484 0 40 DEAB O=c1c2ccc(F)cc2ncn1Cc1noc(-c2ccoc2)n1 69532594 XWCHHXZSASERCC-UHFFFAOYSA-N 312.260 2.227 0 40 DEAB O=C(c1ccc(=O)n(-c2ccccc2)n1)N(CC(F)F)C1CC1 69622091 HAKKTEFWUXNGFC-UHFFFAOYSA-N 319.311 2.102 0 40 DEAB CC(C)[C@H](C)NC(=O)CCNC(=O)N1CCc2ccccc2C1 69776558 JCMHQHIKUFQTAK-AWEZNQCLSA-N 317.433 2.305 0 40 DEAB C[C@@H]1CCC[C@@H](C)C1NC(=O)NCC(C)(C)N1CCOCC1 72311428 SXHLVHKQJDNYFA-ZIAGYGMSSA-N 311.470 2.221 0 40 DEAB C[C@](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)(C(=O)O)C1CC1 95989583 AUVSCOCFNSJTFA-GLKRBJQHSA-N 309.312 2.438 0 40 DEAB COc1ccc([C@@H](C)N(C)C(=O)c2ccn(C)c(=O)c2)cc1 95948435 FJEHOXKIAXBPLC-GFCCVEGCSA-N 300.358 2.227 0 40 DEAB Cc1nc(CNC(=O)N[C@H](CO)c2ccccc2)sc1C 74919102 DXTKTIALCVFDBV-CYBMUJFWSA-N 305.403 2.293 0 40 DEAB C[C@H](NC(=O)N1CCC[C@H]1C1CCC1)C(=O)N1CCCCC1 89496692 WNIIDFSDECEZQI-ZFWWWQNUSA-N 307.438 2.362 0 40 DEAB O=C(NCC1(O)CCOCC1)NCC12CC3CC(CC(C3)C1)C2 75127574 KBYLOGIZKUZMBV-UHFFFAOYSA-N 322.449 2.044 0 40 DEAB Cc1nsc(N2CCCN(c3nc(C4CC4)ns3)CC2)n1 89721368 ZXOXRGSCDQQGTQ-UHFFFAOYSA-N 322.463 2.292 0 40 DEAB C[C@@H]1SCCN(S(=O)(=O)c2c[nH]c3ncccc23)[C@H]1C 89920067 XMSRVHUTQMHTMD-UWVGGRQHSA-N 311.432 2.077 0 40 DEAB CCCc1nc(CN2C(=O)C[C@@](C)(c3ccccc3)C2=O)no1 89960482 PWAOAZWZBHEDLP-KRWDZBQOSA-N 313.357 2.239 0 40 DEAB COc1ccc2c(CC(=O)N3C[C@@H](N(C)C)[C@H](C)C3)coc2c1 76050662 NWXCLPRTFHCIBY-MLGOLLRUSA-N 316.401 2.392 0 40 DEAB COCc1cc(C(=O)N2CCC[C@@H]2c2noc(C)n2)c(C)o1 76043145 ZYCKEEVGJRYDAK-CYBMUJFWSA-N 305.334 2.403 0 40 DEAB CC(=O)O[C@H]1c2c(ccc(Cl)c2Cl)NC2=NC(=O)CN21 22046895 YKCRALKUPKUNKC-NSHDSACASA-N 314.128 2.179 0 40 DEAB in-vitro CCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc3c(c2)OCO3)cc1 72228024 FLOAKBIKOPLGQZ-IAGOWNOFSA-N 310.353 2.393 0 40 DEAB O=C(CN1CCN(C(=O)c2cccs2)CC1)c1cccs1 36708298 HDBYFFVBJSKGLQ-UHFFFAOYSA-N 320.439 2.450 0 40 DEAB CC(C)(C(=O)NCC1(O)CCSCC1)c1ccccc1F 75260095 PLXXRSASAQDWPX-UHFFFAOYSA-N 311.422 2.478 0 40 DEAB C[C@@H](NC(=O)/C=C/c1ccncc1)C(=O)N1CCCC[C@H]1C 79050624 CYVJEIDAGSIOOO-JLVOYYQZSA-N 301.390 2.001 0 40 DEAB CCOc1cc(C(=O)N2CCSCC2)nn1-c1ccccc1 72265221 MIRBTVUHEKOIKI-UHFFFAOYSA-N 317.414 2.460 0 40 DEAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCS(C)(=O)=O)C1 78183977 ZSGUCQASVALHQE-UONOGXRCSA-N 309.431 2.134 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccccc1O 36369941 VXEYYDYSGKOBCO-UHFFFAOYSA-N 323.352 2.171 0 40 DEAB biogenic CCOC(=O)c1cc(N)ccc1N1CCC(C(=O)OCC)CC1 216932089 VGUXQTZRDDEYIP-UHFFFAOYSA-N 320.389 2.225 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2CCCS(C)(=O)=O)c1 75838566 XVDPTWARCYMBBW-INIZCTEOSA-N 310.463 2.324 0 40 DEAB CN(CC(=O)O)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)CC1 192006090 XVYNWBRGWOHLJS-CYBMUJFWSA-N 312.360 2.336 0 40 DEAB C[C@H](Cn1cccn1)NC[C@H](O)c1cccc(Br)c1 49075826 UBTGEFJQULOZIJ-RISCZKNCSA-N 324.222 2.357 0 40 DEAB Cc1cnccc1N1CCN(CCCOCC(F)(F)F)CC1 192527306 NMMWNHYQVIGUQO-UHFFFAOYSA-N 317.355 2.481 0 40 DEAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(F)cc2)c1 224922132 ZXDKVESJMWPKFU-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB O=C(NCCCn1nnc(-c2ccsc2)n1)C1CCCC1 193569264 UKYMBNRMDJBUQQ-UHFFFAOYSA-N 305.407 2.098 0 40 DEAB CCOc1cc(N2CCCN(c3nc(C)cs3)CC2)ncn1 195567095 PZRFFOHZIVYTSV-UHFFFAOYSA-N 319.434 2.357 0 40 DEAB CCS(=O)(=O)N1C[C@H]2c3ccccc3[C@H](N(C)C(C)C)[C@H]2C1 96058336 HERONBQQEDDOJC-ULQDDVLXSA-N 322.474 2.447 0 40 DEAB COC(=O)CCN(Cc1nc(C)c(C)s1)C1CCOCC1 96461831 IORHVGZBLULPGF-UHFFFAOYSA-N 312.435 2.304 0 40 DEAB C[C@@H](CCc1cccn1C)NC(=O)Nc1nnc2ccccn12 96434688 FMKNDOICVYCZGS-LBPRGKRZSA-N 312.377 2.211 0 40 DEAB C1CC(N2CC[C@H]3C[C@H](c4nnc(C5CC5)o4)O[C@@H]3C2)CCO1 96070608 RWURHEYDIIMMSX-NWANDNLSSA-N 319.405 2.278 0 40 DEAB O=C(c1cccnc1)N1CCC2(CN(Cc3ccsc3)C2)C1 96202729 PYFTYOOPJNIMRR-UHFFFAOYSA-N 313.426 2.491 0 40 DEAB O=C(NC[C@@H]1CCOC1)N1CC[C@H](COCc2ccccc2)C1 96439445 RHXCYOHHVISNHS-IRXDYDNUSA-N 318.417 2.271 0 40 DEAB Cc1ccc2cccc(C(=O)N3CCNC(=O)[C@H]3C(C)C)c2n1 96420759 KSLIOBPRGVNJNY-MRXNPFEDSA-N 311.385 2.140 0 40 DEAB CCN1CCOC[C@]2(CCCN(C(=O)c3ccoc3C)C2)C1 96049603 RTOAHZKNKAWUTI-QGZVFWFLSA-N 306.406 2.163 0 40 DEAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC2(CCCNC2)CC1 96268235 UPCGVRHGTVENHW-UHFFFAOYSA-N 324.428 2.478 0 40 DEAB COC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCO1 96437446 AJIOAUOEBFABRT-CMPLNLGQSA-N 314.332 2.083 0 40 DEAB C[C@@H]1C[C@H]2CN(C(=O)c3cn4cc(Cl)ccc4n3)C[C@H]2O1 96045778 UBMMJDYGMRQEOO-GBIKHYSHSA-N 305.765 2.237 0 40 DEAB COc1cccc(OC)c1C(=O)N1CCC[C@@H]2CN(C)CC[C@H]21 97377792 KVRFKKBBRWXPDT-ZIAGYGMSSA-N 318.417 2.260 0 40 DEAB CN(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)Cc1ccc(F)cc1 248686784 HJVWXLDBCAUEBT-HZPDHXFCSA-N 316.376 2.209 0 40 DEAB O=C(CCn1cnc2ccccc21)N1CC[C@H](c2ccn[nH]2)C1 257248531 JEBOLCJNCORWHK-ZDUSSCGKSA-N 309.373 2.166 0 40 DEAB Cc1cn[nH]c1[C@H]1COCCN1C(=O)CCc1cccs1 257328415 XFOCKRDFJNHXQJ-CYBMUJFWSA-N 305.403 2.312 0 40 DEAB CC(C)c1cc(C(=O)N2CCO[C@H](c3ccncc3)C2)on1 257301641 RZFGPYOQDJUEJO-HNNXBMFYSA-N 301.346 2.407 0 40 DEAB O[C@@]1(COc2ccc(Cl)cc2)COCCN(C2CCC2)C1 585280867 AZHYYWZVOFPJIA-MRXNPFEDSA-N 311.809 2.335 0 40 DEAB O=C(c1cccs1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@@H]21 585107640 DLUSSRRDIIYKGQ-CABCVRRESA-N 313.426 2.490 0 40 DEAB CO[C@]1(COc2ccc(C)cc2)CCN(Cc2cc[nH]n2)C1 585275006 TTWICETZDPTKAT-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB Cc1nc(CN2C[C@@H]3CN(C(=O)C4(F)CCC4)C[C@H]3C2)cs1 585107600 OJUQTEYCNGRXHL-CHWSQXEVSA-N 323.437 2.234 0 40 DEAB COC[C@@H](C)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 69842384 IOKAMWFGXOBTDU-CYBMUJFWSA-N 319.405 2.387 0 40 DEAB COc1ccc([C@H](C)N2CCN(C[C@H](C)O)CC2)cc1Cl 69869757 JRBWJEAKUMVAOM-STQMWFEESA-N 312.841 2.408 0 40 DEAB CN(C)c1cc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)ccn1 32830747 RKWXBMUUXKIIFJ-GFCCVEGCSA-N 302.205 2.348 0 40 DEAB CCOC(=O)c1cc(NC(=O)COCc2ccccc2)cn1C 72304383 WUAKBCMDEYWNGO-UHFFFAOYSA-N 316.357 2.357 0 40 DEAB O=C(Nc1ccc(N2CCCC2)c(F)c1)N1CCC[C@@H](O)C1 48137991 GCIQSXVXFDVNPX-CYBMUJFWSA-N 307.369 2.415 0 40 DEAB CC(C)c1noc(CN2CCC[C@@H](COc3ncccn3)C2)n1 1775995642 CPCZSGSUQVJYHD-CYBMUJFWSA-N 317.393 2.274 0 40 DEAB Cn1cc(N2CCN(C(=O)[C@@H]3CCCc4ccccc43)CC2)cn1 74392728 ZBCYMXNPWVZCKW-GOSISDBHSA-N 324.428 2.189 0 40 DEAB Cn1ccc(C2CCN(C(=O)[C@@]34CCCC[C@@H]3NCC4)CC2)n1 1579971742 XKLFYUICGZENQK-FUHWJXTLSA-N 316.449 2.048 0 40 DEAB COc1ccc(C(=O)Nc2ccc(N(C)C)cc2C(N)=O)cc1 95454790 CDPXWNMQUNFKNL-UHFFFAOYSA-N 313.357 2.112 0 40 DEAB O=C(O)CN1C(=O)/C(=C/c2c(F)cccc2F)SC1=S 96663454 XTJYHUVTGMBJGK-WTKPLQERSA-N 315.322 2.251 0 40 DEAB COc1ccccc1N1CCN(c2nccn3nc(C)cc23)CC1 274706390 WHHVYBPPKHTJMN-UHFFFAOYSA-N 323.400 2.373 0 40 DEAB CNC[C@H](C)CNC(=O)c1ccc(F)c(Br)c1 195542894 XSKXDRNHIJTPAL-QMMMGPOBSA-N 303.175 2.174 0 40 DEAB CC(C)(O)[C@H]1CCCN1C(=O)c1cc(Br)c[nH]1 95979563 DGAAZZCTSDGCFV-SNVBAGLBSA-N 301.184 2.153 0 40 DEAB CCOc1cc(/C=C2\SC(=N)NC2=O)ccc1OC(C)=O 5027400 WKWSWBGSVLEYHS-GHXNOFRVSA-N 306.343 2.149 0 40 DEAB O=C(NC(=S)N1CCOCC1)C12CC3C[C@H](CC[C@H](C3)C1)C2 12436476 NZJJSJDGHKYNJE-HFZWIWRYSA-N 322.474 2.326 0 40 DEAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(C=O)CC1 13613301 QTIHQOHKHYEXTN-LLVKDONJSA-N 312.822 2.121 0 40 DEAB COC[C@@H](C)NC(=O)c1cc(-c2ccncc2)c2cnccc2n1 19456656 VVNHWPMJNBZKDF-GFCCVEGCSA-N 322.368 2.457 0 40 DEAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1 19933666 GAJWEJCDIILLKO-LLVKDONJSA-N 314.341 2.200 0 40 DEAB O=C(Cc1ccc(Cl)cc1)N[C@@H]1CCN(C2CCOCC2)C1 575604892 DCENSQHVMJQFDX-OAHLLOKOSA-N 322.836 2.252 0 40 DEAB CCCNC(=O)COC(=O)c1cc(Cl)c(OC)c(OC)c1 5429673 IWRRIAUICYFHAX-UHFFFAOYSA-N 315.753 2.040 0 40 DEAB O=C([C@H]1CN(Cc2ccccc2F)CCO1)N1CCCCC1 1888843823 FDEFFSUDDLLKRY-MRXNPFEDSA-N 306.381 2.039 0 40 DEAB Cc1cccc2sc(N3CCO[C@H](C(=O)NC4CC4)C3)nc12 1888869434 MXVQRMVEGSOBLR-LBPRGKRZSA-N 317.414 2.089 0 40 DEAB Cc1noc(C)c1CN1CCC[C@H](C(=O)N2CCSCC2)C1 1889101226 WBFBNEZOGHEAAP-AWEZNQCLSA-N 323.462 2.079 0 40 DEAB COCCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@H]2C1 1565542009 AMTCEUCMVYYSJS-RDJZCZTQSA-N 302.418 2.096 0 40 DEAB CCOc1ccc(-n2ccn(Cc3ccccc3)c(=O)c2=O)cc1 4569871 DUHDFXJXRQYOKC-UHFFFAOYSA-N 322.364 2.446 0 40 DEAB CCOCCOCc1ccc(O[C@H](O)CCNC(C)C)cc1 584578367 SITKYYKDXYLTAU-KRWDZBQOSA-N 311.422 2.325 0 40 DEAB CCN(Cc1cccs1)C(=O)Cc1c(C)nc(C)[nH]c1=O 31282650 MWKOOMWBYNRVGO-UHFFFAOYSA-N 305.403 2.039 0 40 DEAB C[C@H]1CN(C(=O)/C=C/c2c(Cl)nc3sccn23)CCO1 40479671 UKURHRRPZSJUDZ-HPOULIHZSA-N 311.794 2.310 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC(C)C 195022 APXQPHIYQDQHHK-AWEZNQCLSA-N 304.346 2.275 0 40 DEAB COc1cccc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)c1 40522726 WKEMEUWYBLKYMY-GFCCVEGCSA-N 314.389 2.043 0 40 DEAB Cc1nnc(COC(=O)c2ccccc2NC(=O)NC(C)C)o1 32777636 AJNWWTIKJOZQHM-UHFFFAOYSA-N 318.333 2.265 0 40 DEAB O=c1c2ccsc2ncn1C[C@@H](O)COc1ccccc1F 32907822 FXDFRHPCUBOFLL-SNVBAGLBSA-N 320.345 2.037 0 40 DEAB CC(=O)CC(=O)Nc1ccc(I)cc1 559596 PHQKQZWGTMATIC-UHFFFAOYSA-N 303.099 2.209 0 40 DEAB COC(=O)C1=C(C)Oc2oc(C)cc(=O)c2[C@@H]1c1cccnc1 125532 SMYZSAHWRSZXIV-CQSZACIVSA-N 313.309 2.315 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 53203151 XZTPNUGEAKIXTP-SECBINFHSA-N 323.245 2.366 0 40 DEAB CCCOc1cccc(CNC(=O)N[C@H](C)c2nncn2C)c1 46962144 LDGCILXZLQTKMN-GFCCVEGCSA-N 317.393 2.164 0 40 DEAB CC(C)n1nccc1NC(=O)CCNC(=O)c1cccs1 22289878 UWYCXNVNCUBDFS-UHFFFAOYSA-N 306.391 2.284 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1COc2ccccc2O1 784294 RDSMYZAFPGMKQG-INIZCTEOSA-N 313.309 2.236 0 40 DEAB O=C([C@H]1COCCO1)N1CCC(=Cc2cccc(F)c2)CC1 54030200 CIDVQYZFOQOMTL-MRXNPFEDSA-N 305.349 2.247 0 40 DEAB CCOC(=O)c1cnc2cc(-c3ccc(OC)cc3)nn2c1O 6499539 XIACUFDSTDDAMV-UHFFFAOYSA-N 313.313 2.287 0 40 DEAB Cc1nc2ccccc2nc1SCC(=O)NCCCN(C)C 6796317 NUYVIAZAMDUBKN-UHFFFAOYSA-N 318.446 2.098 0 40 DEAB O=C(Cc1ccccc1F)NC[C@H]1COc2ccccc2O1 6837534 FGOUVOUKBPMOPT-ZDUSSCGKSA-N 301.317 2.324 0 40 DEAB O=C(CCc1cccs1)N1CCN(C[C@@H]2CCCO2)CC1 23624179 TYPREUNQROYTEU-AWEZNQCLSA-N 308.447 2.004 0 40 DEAB CCc1cc(C(=O)NN2C(=O)[C@H]3CCCC[C@H]3C2=O)cs1 102257658 JWKZIDXABNEZBT-TXEJJXNPSA-N 306.387 2.131 0 40 DEAB C[C@H](NC(N)=O)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 108285987 ZZNSVLHHTHQGFH-NHYWBVRUSA-N 314.389 2.278 0 40 DEAB CC1([C@@H]2CCCN(C(=O)NC3[C@H]4[C@H]5CC[C@@H](C5)[C@H]34)C2)OCCO1 108391413 RMGXCOANKBEENE-RMEBNNNOSA-N 320.433 2.216 0 40 DEAB Cc1ccc(CC(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1 12613790 WRLKQNBYAGJHOP-UHFFFAOYSA-N 324.428 2.323 0 40 DEAB CN(C)C(=O)c1ccc(CNC(=O)[C@H]2Cc3ccccc3O2)cc1 12754485 GUEOJTBOQIQRQT-QGZVFWFLSA-N 324.380 2.008 0 40 DEAB CCNc1cnn(-c2ccccc2C(=O)OC)c(=O)c1Cl 29229981 XBTZQHOXEVBJJU-UHFFFAOYSA-N 307.737 2.104 0 40 DEAB c1ccc([C@@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)cc1 29535521 BGJUAMDDTLSJLK-KRWDZBQOSA-N 321.384 2.236 0 40 DEAB O=C1OCCN1c1cccc(NC(=S)NC[C@H]2CCCO2)c1 46102750 MGYYGIVYBWXEDY-CYBMUJFWSA-N 321.402 2.109 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)c1cc2ccccc2c(=O)[nH]1 46385359 NXXZRIIBMPSYDX-AWEZNQCLSA-N 320.348 2.262 0 40 DEAB Cc1nc(CCNC(=O)c2ccnc(-n3ccnc3)c2)cs1 48316717 FLOMHMTZRNVRGH-UHFFFAOYSA-N 313.386 2.005 0 40 DEAB O=C(CSc1cccc[n+]1[O-])N[C@H]1CCOc2ccccc21 19352274 QPXJJJVATSHGPR-ZDUSSCGKSA-N 316.382 2.052 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2C)c2c(C)noc2n1 25002426 FKUXPEKAARXUPZ-SECBINFHSA-N 313.361 2.373 0 40 DEAB O=C(CSC(=S)N1CCCC1)NCCc1ccccc1 5289037 NSZPRMOGTXQDSC-UHFFFAOYSA-N 308.472 2.459 0 40 DEAB CCCO[C@H]1CCCN(C(=O)c2cnc3[nH]nc(C)c3c2)C1 65476261 OJWXILQYLXHSII-ZDUSSCGKSA-N 302.378 2.298 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1ccc(N(C)C)cn1 65503200 KTVXIDQNHUGIKT-JTQLQIEISA-N 301.394 2.240 0 40 DEAB CC(C)[C@@H]1C(=O)NCCN1Cc1ncc(-c2cccs2)o1 67399404 ATDPJTQDYDHZOP-CQSZACIVSA-N 305.403 2.360 0 40 DEAB CCC[C@H](NC(=O)c1coc(Br)c1)C(=O)OC 91142600 VSYGZLRPWYDUHO-QMMMGPOBSA-N 304.140 2.114 0 40 DEAB Cn1c(=O)n(C)c2cc(-c3nc(O)c4ccccc4n3)ccc21 17045680 OGLBNZLUXWQWOA-UHFFFAOYSA-N 306.325 2.193 0 40 DEAB C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 70173588 VGWDWRJGCNZLNI-NXEZZACHSA-N 320.817 2.227 0 40 DEAB CCSc1ccc(NC(=O)NCCNc2ncccn2)cn1 69557726 OKHZRQQLDCCJBH-UHFFFAOYSA-N 318.406 2.217 0 40 DEAB CO[C@@H](C(=O)NCCC(=O)N1CCCC[C@H]1C)c1ccccc1 69532813 WSFPQWBMZCVAMH-RHSMWYFYSA-N 318.417 2.281 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(CCO)Cc1ccsc1 69567053 KUOSTMWLWKFXIJ-OKILXGFUSA-N 310.463 2.332 0 40 DEAB Cc1ncc2c(n1)CN([C@H](C)C(=O)N1CCc3ccccc31)CC2 69516526 VFUGAULFMYSIGA-CYBMUJFWSA-N 322.412 2.121 0 40 DEAB C[C@@H](Cn1cncn1)N[C@H](C)Cc1nc2ccccc2s1 96476759 BJZUJFNVFBGQSE-NEPJUHHUSA-N 301.419 2.497 0 40 DEAB CCN1C(=O)CN(CN(C2CC2)[C@H]2CCc3ccccc32)C1=O 69702594 PTHWMAINIFDGJW-INIZCTEOSA-N 313.401 2.380 0 40 DEAB CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cc(C)nn1CC 69776703 JZTXNVPXIFGYCH-HUUCEWRRSA-N 304.438 2.300 0 40 DEAB COCCN1CCN([C@H](C)c2nnc(-c3ccccc3)o2)CC1 69947385 DPEIVLNQKXWUEN-CQSZACIVSA-N 316.405 2.062 0 40 DEAB COc1ccccc1CNC(=O)c1ccc(-n2cncn2)cc1 8752680 YCVVGLIRYABORQ-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CCc1cnccc1C(=O)N1CC[C@@H](C(N)=O)c2ccccc21 97374296 UKTVLPHJWOIGNN-OAHLLOKOSA-N 309.369 2.263 0 40 DEAB Cc1cccc(C)c1C(=O)NCCC(=O)NCc1ccccn1 97097854 CYYXCXDLSADCCW-UHFFFAOYSA-N 311.385 2.135 0 40 DEAB CCc1nnc2n1C[C@@H](NC(=O)CCCc1cccs1)CC2 97198866 PTPOYMZJHMYGAU-LBPRGKRZSA-N 318.446 2.356 0 40 DEAB COc1cc2[nH]c(=NC(=O)c3oc(C)cc3C)[nH]c2cc1OC 95407964 RWVMUCWYWCZHFC-UHFFFAOYSA-N 315.329 2.464 0 40 DEAB Cc1cc(S(=O)(=O)N(C)CC(C)(C)CCO)ccc1F 95454425 WJMLONKKSXUSPL-UHFFFAOYSA-N 303.399 2.163 0 40 DEAB CC(C)(CNCc1ccc(Cl)s1)N1CCS(=O)CC1 85329636 VGFIUHCDXNOMRA-UHFFFAOYSA-N 320.911 2.334 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1ccccc1OC(C)C)C(N)=O 95942620 LEQYHDUTJVMPCP-FZMZJTMJSA-N 307.394 2.495 0 40 DEAB O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CCC[C@H]2OCC[C@@H]12 89598034 JYXODVYVWJFWCG-BFHYXJOUSA-N 319.405 2.344 0 40 DEAB CN(C)C(=O)CCNC(=O)Nc1cc(F)cc(N2CCCC2)c1 75126517 BAPVZJDNUNUBSI-UHFFFAOYSA-N 322.384 2.026 0 40 DEAB Cc1ncc(CNC(=O)C(=O)Nc2ccc(C)c(F)c2)s1 76018286 XZRHHLVXWAMLPY-UHFFFAOYSA-N 307.350 2.154 0 40 DEAB Cc1cc(CNC(=O)Nc2ccccc2N2CCCC2=O)no1 67561733 SXIKBTRYEMCWGQ-UHFFFAOYSA-N 314.345 2.432 0 40 DEAB CC(C)NC(=O)c1cc(-n2cnnc2)ccc1Br 35684168 IVBMUJMNBPXVTH-UHFFFAOYSA-N 309.167 2.168 0 40 DEAB CCN1CCN(CCC(=O)N2CCC[C@H]2c2ccccc2)CC1 79336606 MLMCVKYJHDTNSI-SFHVURJKSA-N 315.461 2.378 0 40 DEAB CCn1nc(C)c2nc(C(C)C)nc(N3CCC(O)CC3)c21 72238340 XUTIZMSYDPKHKN-UHFFFAOYSA-N 303.410 2.239 0 40 DEAB CN(c1ccccc1)C1CCN(CC[C@@H]2CCNC2=O)CC1 564701841 DRRWUTXOJKRYOW-HNNXBMFYSA-N 301.434 2.113 0 40 DEAB Cc1cccc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)c1 32298203 ZHVLTQBASLVTHR-LKGOPFMKSA-N 316.445 2.481 0 40 DEAB CCOC(=O)[C@@H]1C[C@H]2[C@@H](O)CCC[C@H]2N1Cc1ccccc1 226086350 DMGGGQACHJSSBR-NCOADZHNSA-N 303.402 2.354 0 40 DEAB CC1=CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@H]2C1 136175840 FPZBNFZQVVSNKM-JQWIXIFHSA-N 318.760 2.326 0 40 DEAB COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(N(C)C)c1 84810523 VRGAROPLKDDAIK-CABCVRRESA-N 304.390 2.214 0 40 DEAB CC1(CNC(=O)c2ccccc2OC(F)(F)F)OCCCO1 191122850 RDBIRWYTUIKURC-UHFFFAOYSA-N 319.279 2.468 0 40 DEAB COc1cccc(O[C@@H](C)C(=O)NCCCN2CCCCC2)c1 44840507 GPZJJKLCSAEDTM-HNNXBMFYSA-N 320.433 2.455 0 40 DEAB CCOC(=O)c1cnc(NC(=S)NCCC(C)C)nc1C 225198029 WCDACGGWEGDQEG-UHFFFAOYSA-N 310.423 2.294 0 40 DEAB CSc1nnc(NC(=O)c2ccc3c(c2)OCCO3)s1 225406400 HXAAGGMMRJPRIA-UHFFFAOYSA-N 309.372 2.284 0 40 DEAB O=C1CCCN1C[C@@H](NC[C@@H]1CCCOC1)c1ccccc1 97230631 NDNDPYLPTZCMGM-DOTOQJQBSA-N 302.418 2.366 0 40 DEAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)CC(C)(C)c1ccccc1 96412822 LAAHCPHPDDCJLK-ZIAGYGMSSA-N 323.458 2.388 0 40 DEAB C[C@@H](CNC(=O)NCc1nccn1C)Oc1cccc(Cl)c1 96440544 BWMSNXDRKNLVAU-NSHDSACASA-N 322.796 2.340 0 40 DEAB c1cncc(O[C@H]2CC[C@H]3[C@H]2OCCN3Cc2ccco2)c1 97953739 GDRXISIIMIPRTM-YESZJQIVSA-N 300.358 2.485 0 40 DEAB Cc1ccc(CNC[C@@H]2COCc3c(C)nnn3C2)cc1C 96199376 DEXLXBWFNWCSSM-INIZCTEOSA-N 300.406 2.140 0 40 DEAB O=C(c1cccc(F)c1)N1CC[C@H](O)[C@@H]1Cc1ccncc1 96069971 OOCSBCFQJAJOHW-HOTGVXAUSA-N 300.333 2.039 0 40 DEAB Cc1c(CN[C@H]2CCCN(c3cccc(F)c3)C2=O)cnn1C 97229827 TYPVFMWWXSVBMU-INIZCTEOSA-N 316.380 2.153 0 40 DEAB CC(C)(C)NC(=O)N1CCC(NC(=O)[C@H]2CC=CCC2)CC1 96490128 XVSMEJVYCSDLCL-ZDUSSCGKSA-N 307.438 2.431 0 40 DEAB CN(C)c1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 96255387 SMOFORRZDUBMQI-UHFFFAOYSA-N 300.381 2.283 0 40 DEAB C[C@@H](O)CC(C)(C)CNS(=O)(=O)c1cccc2cnccc12 96492611 RCVDELIXPJDSHG-GFCCVEGCSA-N 322.430 2.310 0 40 DEAB CC(C)(C)c1nc(CCNC(=O)N[C@]2(C)CCOC2)cs1 96487507 ZZSSYQIEXVSAHT-OAHLLOKOSA-N 311.451 2.461 0 40 DEAB CC(C)Nc1ncnc2c1CCN(Cc1nccs1)CC2 96255512 VPUFVIVLKQGZHE-UHFFFAOYSA-N 303.435 2.354 0 40 DEAB c1cnc(N2CCC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 96223645 SFTPCRNUUBVWFO-NVXWUHKLSA-N 312.373 2.079 0 40 DEAB c1ccc(CO[C@H]2CSC3(C2)CN(c2ncccn2)C3)nc1 247842322 LKQNDBUHIVSPND-CQSZACIVSA-N 314.414 2.153 0 40 DEAB Cc1ncc2cncc([C@@H]3CCCN(C(=O)c4ccncc4)C3)n12 257263746 LRFYWRRIMZPLLZ-OAHLLOKOSA-N 321.384 2.453 0 40 DEAB CCN1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3[nH]2)CC1 25604874 HNDJRAGMSKBVJR-GFCCVEGCSA-N 318.446 2.208 0 40 DEAB C[C@H](CCNC(=O)C[C@@H]1CCS(=O)(=O)C1)c1ccccc1 69416761 KOULQEOZYBZQPC-KGLIPLIRSA-N 309.431 2.121 0 40 DEAB O=c1oc2ccccc2n1CCNCc1cccc2c1OCO2 72269974 RQRNCHOKFWDXIY-UHFFFAOYSA-N 312.325 2.113 0 40 DEAB CN(Cc1ccccc1Br)C(=O)C1CCNCC1 37798047 OEABMBMQLSFMEF-UHFFFAOYSA-N 311.223 2.407 0 40 DEAB CCCn1c(C)nnc1COC(=O)c1ccc2nccnc2c1 95448975 KPZYQCKFBADKMP-UHFFFAOYSA-N 311.345 2.297 0 40 DEAB Cc1nc(C2(NCC(=O)Nc3ccc(F)cc3F)CCC2)no1 95941262 RCFHRJCZXQHAHI-UHFFFAOYSA-N 322.315 2.264 0 40 DEAB COC(=O)c1ccc(Cl)c(CNC(C)(C)C(=O)N(C)C)c1 96004549 AIMOWBJAYOHIRT-UHFFFAOYSA-N 312.797 2.083 0 40 DEAB O=c1c(N2CCN(c3ccc(F)cc3)CC2)nccn1C1CC1 302036825 VBZOEHZEBUPZRH-UHFFFAOYSA-N 314.364 2.044 0 40 DEAB Cc1ccccc1N1C(=S)S[C@@H]2CS(=O)(=O)C[C@@]21C 5615593 WVBTVKWNWNCBLK-YPMHNXCESA-N 313.469 2.389 0 40 DEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1N[C@@H]1CCN(c2ccccc2)C1=O 153619202 VVHHGIRHDJVRCF-JJXSEGSLSA-N 300.402 2.195 0 40 DEAB CCOc1ccc(N2C[C@H](CNC(=O)C(C)C)CC2=O)cc1 8925531 XXGAGWZHLYDBOC-ZDUSSCGKSA-N 304.390 2.210 0 40 DEAB CCOC(=O)c1c(O)c(C(=O)OCC)n(C)c1-c1cccnc1 33846937 PURWBDHLEYHRLU-UHFFFAOYSA-N 318.329 2.146 0 40 DEAB in-vitro Cc1nnc(SCc2nc3ccc(Cl)cc3c(=O)[nH]2)[nH]1 11707321 OZSZWBRNJHVUTL-UHFFFAOYSA-N 307.766 2.295 0 40 DEAB Cc1cn(C)c([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)CCO2)n1 1848352276 GREHRKROUFXUCO-INIZCTEOSA-N 324.384 2.424 0 40 DEAB Cc1cc2nccc(C3CCN(C4CCOCC4)CC3)n2n1 2037846243 NGDGMENCZMKNER-UHFFFAOYSA-N 300.406 2.396 0 40 DEAB CO[C@@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)[C@H]1Cc1cnn(C)c1 1614928261 BHJQHXIGNDUNCV-JZXOWHBKSA-N 317.433 2.325 0 40 DEAB CCOC(=O)N1CC[C@H](c2ccccc2F)S(=O)(=O)CC1 585395228 KCJIYXBPJKJAJW-CYBMUJFWSA-N 315.366 2.144 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 102733755 KWDHAGAQBNGNNG-OKILXGFUSA-N 312.369 2.193 0 40 DEAB O=C(NCc1ccc(Cn2cncn2)cc1)c1ccccc1F 40020032 SGNWALCVJGGVQS-UHFFFAOYSA-N 310.332 2.396 0 40 DEAB CC[C@H]1CN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CCO1 30596874 UTVMLKJBZWGTFO-ZDUSSCGKSA-N 303.337 2.467 0 40 DEAB Cc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)n[nH]2)s1 31066816 WPTYPRCCMSBRSZ-UHFFFAOYSA-N 319.386 2.226 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3ccc(C)s3)CC2)on1 40475589 MOOJMZNGSUZKSE-UHFFFAOYSA-N 305.403 2.311 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H](C)O[C@H](C)C1 40466433 QJDASONPKHCXIF-BETUJISGSA-N 307.438 2.334 0 40 DEAB Cc1sc(N)nc1-c1ccc(OCCN2CCOCC2)cc1 20330640 WTZJWQCWTBHKDB-UHFFFAOYSA-N 319.430 2.412 0 40 DEAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCCCNC1=O 40522220 ZEVZRYLAPWSFIO-SNVBAGLBSA-N 319.386 2.110 0 40 DEAB COc1ccccc1[C@@H](CNC(=O)c1scnc1C)N(C)C 40533868 CJWFHDWOJJEGDM-CYBMUJFWSA-N 319.430 2.493 0 40 DEAB C[C@H](NS(=O)(=O)c1cccc2nonc12)c1cccs1 32578723 JRWBBHJADSIXGB-QMMMGPOBSA-N 309.372 2.324 0 40 DEAB Cc1c(C(=O)NC[C@H]2CCOC2)cnn1-c1ccccc1F 41368400 XGUPEKMMPVWAHZ-GFCCVEGCSA-N 303.337 2.086 0 40 DEAB CCC[C@H](C)N(C)C(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102954725 MZUCAOFRMAJKPN-JTQLQIEISA-N 319.430 2.483 0 40 DEAB CN(C)CCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 52931463 DJFSJALJALYGDQ-UHFFFAOYSA-N 310.825 2.066 0 40 DEAB CC(=O)N1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 47264511 NCSVOOJSBAXDFC-UHFFFAOYSA-N 316.323 2.292 0 40 DEAB O=C1CCCC[C@H]1[C@@H]1COCCN1C(=O)/C=C\c1cccnc1 98063064 WURULFGIKLGFIM-FLELRFNZSA-N 314.385 2.082 0 40 DEAB Cc1ccc2nc(CN(C[C@@H]3CCOC3)C3CC3)cc(=O)n2c1 47405744 RYTMXIRPFHLCDS-AWEZNQCLSA-N 313.401 2.004 0 40 DEAB CCCCN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@@H]21 2209506 BYNGFCRTLCTOKR-KBPBESRZSA-N 324.471 2.059 0 40 DEAB O=C(Nc1ncn[nH]1)c1csc(COc2ccc(F)cc2)n1 23140745 JUTHVZSTLRXPOO-UHFFFAOYSA-N 319.321 2.232 0 40 DEAB O=C(COc1ccc2nccnc2c1)NCc1ccc(F)cc1 23223753 AVYGHWUILRMSRV-UHFFFAOYSA-N 311.316 2.464 0 40 DEAB CCN(C)S(=O)(=O)c1csc(C(=O)NC2CCCC2)c1 6680398 TYAHNXIBWLTJTO-UHFFFAOYSA-N 316.448 2.061 0 40 DEAB COc1cc(=O)n(-c2ccccc2C)nc1C(=O)NC(C)(C)C 7456382 ZIFVVRNKEONXKK-UHFFFAOYSA-N 315.373 2.078 0 40 DEAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1 8286871 KSMZUZYJMIKFSL-UHFFFAOYSA-N 322.361 2.051 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)CCN1C(=O)NC(C)(C)C1=O 8428576 YSRLGMKOZWCOHY-UHFFFAOYSA-N 323.780 2.307 0 40 DEAB CN(C(=O)c1ccnc(-n2cncn2)c1)[C@@H]1CCc2ccccc21 54675796 PQYFKOLRLYDCJO-MRXNPFEDSA-N 319.368 2.422 0 40 DEAB CS(=O)(=O)Nc1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 105632698 FNCREAAXCXIWOT-SGMGOOAPSA-N 322.430 2.111 0 40 DEAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCCCC(N)=O 42925717 GIUAODNTDSNIHT-UHFFFAOYSA-N 305.765 2.192 0 40 DEAB O=C(NCCc1cn2ccccc2n1)c1n[nH]c2ccccc12 12507659 OWWASUFTYKZKAC-UHFFFAOYSA-N 305.341 2.183 0 40 DEAB C[C@@H](NCc1cnc(N2CCOCC2)nc1)[C@@H]1C[C@H]2CC[C@H]1C2 106826033 BULMKPVIYMCLTH-OHFALNGGSA-N 316.449 2.228 0 40 DEAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1ccccn1 26186075 OPTUEQQBKDFRLK-GFCCVEGCSA-N 313.357 2.413 0 40 DEAB Cc1ccsc1C(=O)N(CCCN(C)C)CCCN(C)C 57157252 LLNLWTZZFMQKKM-UHFFFAOYSA-N 311.495 2.402 0 40 DEAB O=C1CN(Cc2csc(-c3ccc(Cl)cc3)n2)CCN1 57322860 CWLDUPACGJECNP-UHFFFAOYSA-N 307.806 2.395 0 40 DEAB Brc1ccccc1N1CC[C@@H](N[C@H]2CCOC2)C1 108357598 VIAOQOIXLJPNTJ-NEPJUHHUSA-N 311.223 2.406 0 40 DEAB S=C(NC[C@H]1COc2ccccc2O1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 103151447 GRGQVGNDBSEXTN-YIYPIFLZSA-N 318.442 2.479 0 40 DEAB CC(C)Cc1noc(CNc2ccccc2CS(C)(=O)=O)n1 58178517 UPRBFMXNICUXBS-UHFFFAOYSA-N 323.418 2.425 0 40 DEAB O=C(NCc1cccc(F)c1)NC1CCN(C(=O)C2CC2)CC1 58166113 BCQHSJPVKIECMP-UHFFFAOYSA-N 319.380 2.026 0 40 DEAB COc1ccc(NC(=O)N2CCC[C@@H](N3CCCC3)C2)cn1 48264369 PJQZPFZHNSLFOP-CQSZACIVSA-N 304.394 2.182 0 40 DEAB Cc1cc(C)n2nc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)nc2n1 102223909 CRVRIGQWJQVOOC-DGAVXFQQSA-N 313.405 2.296 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC(CN2CCOCC2)CC1 36103390 NUPSHTOKNYPPSB-UHFFFAOYSA-N 306.381 2.010 0 40 DEAB O=C(Nc1cnn(Cc2ccccn2)c1)c1ccc2[nH]cnc2c1 58311594 YFGXECAQNVKUKY-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccc(-n2ccnc2)cc1 58331282 XELONFLGZYXIHL-CABCVRRESA-N 322.416 2.461 0 40 DEAB CC(C)(NCC(=O)NCc1cccnc1)c1cccc(F)c1 95985268 XAPRBKKOAPICJH-UHFFFAOYSA-N 301.365 2.362 0 40 DEAB COc1ccc(C(=O)CC(=O)c2cccnc2)c(O)c1OC 100398044 XAGDFNFCPQPXBQ-UHFFFAOYSA-N 301.298 2.260 0 40 DEAB C[C@H]1CN(Cc2ccc(C(=O)Nc3cn[nH]c3)cc2)C[C@H](C)O1 29712139 PXDKMYCKGQEPGQ-STQMWFEESA-N 314.389 2.271 0 40 DEAB O=C(/C=C/c1cccs1)OCn1nnc2ccccc2c1=O 2657363 QRJKKDQVBCENFD-BQYQJAHWSA-N 313.338 2.067 0 40 DEAB CNC(=O)Cc1ccc(NCC(=O)N[C@H]2CCCC[C@H]2C)cc1 29937134 CAXNMXRXCVSNCH-CJNGLKHVSA-N 317.433 2.082 0 40 DEAB CC(C)Oc1ccccc1[C@H](C)NC(=O)CCn1cncn1 48465076 KRJVXCUKURDXRC-ZDUSSCGKSA-N 302.378 2.333 0 40 DEAB CC[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc2C1 3548544 OJEPKTGMVPRGDW-IUCAKERBSA-N 324.402 2.003 0 40 DEAB COc1ccc(CN2CCOC[C@@H](CCN(C)C)[C@@H]2C)cc1 306125961 DHGGOCVWPNVOBS-DOTOQJQBSA-N 306.450 2.484 0 40 DEAB CCS(=O)(=O)CCN1CCC[C@@H]1CN(C)c1ccccc1 95398565 VSNHBYYRQNEGNP-MRXNPFEDSA-N 310.463 2.022 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)c2cc(C(C)C)n(C)n2)o1 84798595 CWKIMIIAXFHIFK-UHFFFAOYSA-N 319.361 2.243 0 40 DEAB CN(C)c1ccc(N2C(=O)C[C@@H](NNc3ccccc3)C2=O)cc1 4247711 VMSLYFMZOXVVRN-MRXNPFEDSA-N 324.384 2.001 0 40 DEAB COc1ccc(CN2CCC[C@H](CNC(C)=O)C2)cc1OC 84753047 VWJVKHFICKCKPW-OAHLLOKOSA-N 306.406 2.052 0 40 DEAB Cc1ccccc1CN(C)C(=O)Cn1nnc(-c2ccccc2)n1 4549346 PYMGJDJIMOICIF-UHFFFAOYSA-N 321.384 2.307 0 40 DEAB O=C(NC1CCCC1)[C@@H]1CS[C@H]2c3ccccc3C(=O)N21 5529244 JJIBLLRLKGBYCX-BBRMVZONSA-N 302.399 2.315 0 40 DEAB CN(C)C(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 66345604 PQFRSMHGWUFNBT-UHFFFAOYSA-N 318.373 2.362 0 40 DEAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1C[C@H]1CCCCO1 9387904 DPHMGIYLKMLTIG-KDOFPFPSSA-N 314.385 2.339 0 40 DEAB O=C(N[C@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1F 95465613 JMQRXLSLLJFBAR-HNNXBMFYSA-N 314.316 2.067 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nnc(C)s1 15356314 RTBKKQGYRUYSKW-UHFFFAOYSA-N 305.359 2.239 0 40 DEAB NC(=O)[C@H]1CCCCN1Cc1nc(-c2ccc(Cl)cc2)no1 15479518 PYSWKKMMHHXBLK-GFCCVEGCSA-N 320.780 2.230 0 40 DEAB CCN1CCN(C(=O)[C@@H](C)N(C)Cc2ccccc2Cl)CC1 67471755 PQKVPYVSKCUZDR-CQSZACIVSA-N 323.868 2.324 0 40 DEAB O=C(c1ccc(-n2cncn2)cc1)N1CCc2ccccc2C1 15627405 POSSCLOSWQKCLT-UHFFFAOYSA-N 304.353 2.466 0 40 DEAB CCOc1ccccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7310603 NTRIZAIKLLSMOJ-LRDDRELGSA-N 320.414 2.478 0 40 DEAB CC(C)[C@@H](NC(N)=O)C(=O)NCc1ccc(Cl)cc1Cl 7782886 OBZNWKKCUODPRT-LLVKDONJSA-N 318.204 2.303 0 40 DEAB CC(C)COCCCNC(=O)NC[C@H](O)c1cccc(F)c1 69106569 RZQVZUUHLOYRFE-HNNXBMFYSA-N 312.385 2.221 0 40 DEAB CCOc1ncccc1C(=O)NCC(C)(C)N1CCCCC1 69296475 CMVTYGQEBQCPJW-UHFFFAOYSA-N 305.422 2.475 0 40 DEAB COC(=O)c1c(C)nn(CC(=O)N2[C@H](C)CCC[C@H]2C)c1C 69664290 OKPILVNCIOEYIJ-GHMZBOCLSA-N 307.394 2.076 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc2c(s1)CCCCC2 8696095 PKVWMYUJDLQWTP-SECBINFHSA-N 324.402 2.018 0 40 DEAB CC[C@H]1CN(CCOc2cccc(F)c2)CCN1CCOC 69842214 PNBALUVCNSOFLG-INIZCTEOSA-N 310.413 2.247 0 40 DEAB CCC(CC)[C@@H]1C[C@@H](NC(=O)N2CCN(CC)CC2)CCO1 97049711 PWFJLPGMBNDYKE-HOTGVXAUSA-N 311.470 2.317 0 40 DEAB Cc1cc(NC[C@@H](O)c2cnn(C)c2)ncc1Br 97022100 CPUBXQYOBDCQCO-LLVKDONJSA-N 311.183 2.032 0 40 DEAB Cc1nnc(-c2ccc(NC(=O)NCc3nccn3C)cc2)o1 84291675 YPRYUFWCRNTUEL-UHFFFAOYSA-N 312.333 2.100 0 40 DEAB C[C@H](CCc1ccccc1F)C(=O)NS(=O)(=O)CC1CC1 76090395 DKLPLMXKIGTCEG-LLVKDONJSA-N 313.394 2.250 0 40 DEAB C[C@@](O)(CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccsc1 76085073 MIXDXXCRRAMEEM-GOEBONIOSA-N 303.383 2.076 0 40 DEAB Cc1nn(C2CCOCC2)cc1NC(=O)[C@@H](F)C(F)(F)F 1548790019 RBROYLXAFPKDDK-SNVBAGLBSA-N 309.263 2.382 0 40 DEAB C[C@H](O)CNCCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 38246116 RAFNFWJWBDXRDD-KBPBESRZSA-N 318.417 2.060 0 40 DEAB CSCC[C@@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[nH]1 73827481 YPGRLOWSQUKVRQ-GFCCVEGCSA-N 319.430 2.345 0 40 DEAB Cc1cccnc1Nc1nccc([C@@H]2CCCN(CCO)C2)n1 72377398 MZDRZWGPBFOEBB-CQSZACIVSA-N 313.405 2.095 0 40 DEAB COc1ccc2c(c1)N(C(=O)CCc1ccnn1C)C[C@H](C)O2 187323422 FPOKDBNUSUHOJM-LBPRGKRZSA-N 315.373 2.175 0 40 DEAB COCCNC(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 77536411 CNHDSJQGCQXBMY-GXFFZTMASA-N 300.786 2.362 0 40 DEAB Cc1snnc1C(=O)Nc1cnn(Cc2ccccc2F)c1 72239901 YIKPZKXDQDHMKI-UHFFFAOYSA-N 317.349 2.483 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)N1CCO[C@H](C)C1 78611784 BWHDICXBVUIBDA-CYBMUJFWSA-N 300.362 2.433 0 40 DEAB Cc1cc(S(=O)(=O)NCC(C)C)cc2c1NC(=O)C2(C)C 71196019 AIRUCUMIGUGSKR-UHFFFAOYSA-N 310.419 2.159 0 40 DEAB CCN(CCO)Cc1ccccc1I 79420678 NMJUJVPRJOIDJW-UHFFFAOYSA-N 305.159 2.105 0 40 DEAB COc1cccc(Cl)c1CN1CC[C@@H](C)S(=O)(=O)CC1 192051260 ZVZIUUQWMKFBKV-LLVKDONJSA-N 317.838 2.358 0 40 DEAB O=C(NCC1(C2CC2)CCC1)N1CCCN(C(=O)C2CC2)CC1 133292913 BNHPZFNIEBKVHJ-UHFFFAOYSA-N 319.449 2.221 0 40 DEAB COC(=O)CCCN(C)S(=O)(=O)c1cccc(Cl)c1C 47911688 LAZQLFPBLUMQDA-UHFFFAOYSA-N 319.810 2.222 0 40 DEAB CC(C)C(=O)N1CCC[C@]2(CN(Cc3ccoc3)CCO2)C1 96049125 XGIHGEATJPTVLU-KRWDZBQOSA-N 306.406 2.129 0 40 DEAB C[C@H](CNS(=O)(=O)c1c[nH]cn1)c1nc2ccccc2s1 95435986 NTWRKUPMLQYLHS-SECBINFHSA-N 322.415 2.101 0 40 DEAB C[C@@H]1CN(C(=O)NCc2cc[nH]n2)C[C@H](c2ccsc2)O1 96470035 HNEOISWTWCODIL-ZWNOBZJWSA-N 306.391 2.143 0 40 DEAB C[C@@H](CC[C@H]1CCCO1)NC(=O)NCC[S@@](=O)C(C)(C)C 96408820 SALIJIMYINJEOZ-QRQYBIJMSA-N 318.483 2.181 0 40 DEAB O=S(=O)(NCc1cccc(-n2ccnc2)c1)c1cccs1 96406709 FFJQEUKLDXAKNL-UHFFFAOYSA-N 319.411 2.412 0 40 DEAB Cc1occc1C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96110634 LYCBHSTYXCJRHY-IYBDPMFKSA-N 311.385 2.187 0 40 DEAB COc1ccc(-c2c(S(C)(=O)=O)sc3[nH]nc(N)c23)cc1 96532173 NRVOGLQZBZDFIM-UHFFFAOYSA-N 323.399 2.286 0 40 DEAB CCc1cnc(N2CCC3(CC2)C[C@H](N2CCCC2)CO3)nc1 96220749 JSPBPUWITRXNKK-INIZCTEOSA-N 316.449 2.263 0 40 DEAB COc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cc1 96055704 IAJGYHZVJLOHAD-ZWKOTPCHSA-N 323.396 2.470 0 40 DEAB CC(C)NC(=O)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238409 UGPIZVYJCXCQHL-KRWDZBQOSA-N 301.390 2.233 0 40 DEAB Cc1nc([C@@H]2CCNC2)nc2c1CC(=O)N2CC1CCCCC1 257276308 NTDPIPKNGPSMEX-CQSZACIVSA-N 314.433 2.331 0 40 DEAB CC(=O)NCc1cccc([C@@H]2CCCN2CC2CCOCC2)n1 257290485 QDDNMIOMCZWZOG-SFHVURJKSA-N 317.433 2.281 0 40 DEAB CS(=O)(=O)N1CC[C@H](Cc2ccc(-c3nccs3)nc2)C1 257281406 OPAOMMUXYWOXMX-GFCCVEGCSA-N 323.443 2.029 0 40 DEAB Oc1cc(C[C@H]2COCCN(Cc3cccc(F)c3)C2)ncn1 257272158 NBHBHYMJQMOTPG-CQSZACIVSA-N 317.364 2.012 0 40 DEAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccncn1 257201885 AJMXKMAWXAABPZ-CQSZACIVSA-N 307.350 2.142 0 40 DEAB CCc1nccn1CC(=O)N1CCCC[C@H]1c1[nH]ncc1C 257343142 ZRQPKROIPLDVPC-ZDUSSCGKSA-N 301.394 2.231 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)Nc1cccnc1)C1CCOCC1 284668820 WJALHYXFUYYGCO-AWEZNQCLSA-N 315.377 2.105 0 40 DEAB O=C(C1CCC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575406791 TUUFLFHRLFHYET-MRXNPFEDSA-N 311.385 2.473 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCCN(C(=O)c2cnco2)C1 585275032 UGFCKFOIYGPDRL-KRWDZBQOSA-N 316.357 2.029 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cncnc3)C2)c1 585269236 MLWCJRSSFFZNHZ-SFHVURJKSA-N 313.401 2.191 0 40 DEAB c1cc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)ccn1 585102672 FRMDKXADZMADOL-QGZVFWFLSA-N 302.418 2.489 0 40 DEAB Cc1ccc(CC(=O)N2CCC3(CC2)CC(=O)N(C)C3)cc1 585099759 OZNMJOGXWHVISD-UHFFFAOYSA-N 300.402 2.008 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCN(CC2CCOCC2)C1 585273334 BYAZHYGLQLCJMZ-GOSISDBHSA-N 305.418 2.237 0 40 DEAB COC[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 56921903 GEZCPJKJTIDZKH-JTQLQIEISA-N 313.195 2.343 0 40 DEAB Cc1nn(Cc2ccccc2)c(Cl)c1CNC(C)(C)C(N)=O 84014134 RFKLKQKOXNXKEB-UHFFFAOYSA-N 320.824 2.247 0 40 DEAB C[C@H](CNC(=O)c1c(F)cccc1Cl)CN1CCCC1=O 60131445 PTYOOCPKZBMFAB-SNVBAGLBSA-N 312.772 2.467 0 40 DEAB C[C@@H](CN(C(=O)c1ccc(Br)o1)C1CC1)C(=O)O 195551925 CPWGNJDDGOYKRE-ZETCQYMHSA-N 316.151 2.367 0 40 DEAB Cc1cc(N2CCN(Cc3cc(F)ccc3F)CC2)ncn1 1204220747 DQPGUOIHJMRSDT-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB COCC(=O)Nc1cc(C)cn(Cc2ccccc2Cl)c1=O 5000874 NAXXUJLOWDMUON-UHFFFAOYSA-N 320.776 2.443 0 40 DEAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NCC(C)C 5703628 LCJQNMAAAAHXBC-UHFFFAOYSA-N 313.781 2.343 0 40 DEAB COc1cccc([C@@H]2SCC(=O)N2c2nncs2)c1OC 5760724 GURQKYPIIVXPHL-LBPRGKRZSA-N 323.399 2.334 0 40 DEAB O=C(O)[C@]1(C[C@@H]2CC(c3cccc(F)c3)=NO2)CCCNC1 12157327 ABTAPBKLEUWQSD-BBRMVZONSA-N 306.337 2.163 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3ccncc3)cc2n1 12337005 IMEBWYUAEPVOKX-AWEZNQCLSA-N 323.356 2.116 0 40 DEAB CCCNC(=O)Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O 19937557 NMWBOZUOXILZMP-UHFFFAOYSA-N 305.765 2.159 0 40 DEAB CN(c1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 150745315 WSWVWXSYCZBKCD-UHFFFAOYSA-N 323.345 2.422 0 40 DEAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1cccs1 206733046 YVVYDYMRNZFGCA-UHFFFAOYSA-N 317.418 2.457 0 40 DEAB CSc1ncccc1C(=O)N[C@@H]1CCN(c2nccs2)C1 206808482 TWHTZUYXOICRAF-SNVBAGLBSA-N 320.443 2.269 0 40 DEAB COc1cc2oc3c(c(=O)c2c(C(=O)O)c1O)COC(C)=C3 15219460 OGCNEBYUWVVLMZ-UHFFFAOYSA-N 304.254 2.096 0 40 DEAB biogenic,in-vitro C[C@@H](CC1CCCC1)C(=O)NCc1nnnn1-c1ccccc1 516886396 XXHFENZNDGSEBL-ZDUSSCGKSA-N 313.405 2.495 0 40 DEAB Cc1cc(C)cc(OCC(=O)N[C@@H](C(N)=O)c2ccccc2)c1 12171155 UEPAAQASNRNYIS-QGZVFWFLSA-N 312.369 2.025 0 40 DEAB C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccco1 7086194 HBIFTTCUFSTSOH-VIFPVBQESA-N 314.263 2.338 0 40 DEAB CCc1cccc(NS(=O)(=O)c2cc(C(=O)O)n(C)c2)c1 22157035 XANGRNZZJUIZDX-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB Cc1cc(C)cc(-n2ccn(C[C@@H]3CCCOC3)c(=O)c2=O)c1 2086968226 GSOFVAQLFNEWFK-HNNXBMFYSA-N 314.385 2.043 0 40 DEAB CCN1CCO[C@@H]2CN(C(=O)[C@@]3(C)CC=CCC3)CC[C@@H]2C1 1565550368 AKGZOUKFGLWNFG-NUJGCVRESA-N 306.450 2.302 0 40 DEAB CCc1ccc(NC(=O)CN2C(=O)[C@@H](C)S[C@H](C)C2=O)cc1 2710873 CQVXFIDGAPBLFN-GHMZBOCLSA-N 320.414 2.067 0 40 DEAB CN(C)C(=O)C1(n2ccnc2)CCN(CC2CCCCC2)CC1 2055708078 DLIMLRGGLQQRLP-UHFFFAOYSA-N 318.465 2.343 0 40 DEAB CCCC12CN3CC(C)(CN(C1)C3c1ccc(O)cc1)C2=O 19322256 FIQQCOWPCWQACD-UHFFFAOYSA-N 300.402 2.398 0 40 DEAB biogenic O=C(NC1CN(c2ncnc3ccsc23)C1)[C@@H]1CC=CCC1 1775975623 LEZLBYUNIZZVQC-LLVKDONJSA-N 314.414 2.352 0 40 DEAB Cc1cc(C(=O)NC2CCN(c3cnsn3)CC2)c(C)o1 575616997 UWMAZXBOHAEKRF-UHFFFAOYSA-N 306.391 2.147 0 40 DEAB Cc1csc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)n1 40497540 NUMYMXNQNHUODC-LLVKDONJSA-N 303.391 2.097 0 40 DEAB CCCOC(=O)[C@@H]1[C@@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 100988368 LGIAPXVOZIRQPS-JTOWHCCKSA-N 319.401 2.054 0 40 DEAB Cc1cc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)on1 31962955 AJDNFAVPLIOOMG-LLVKDONJSA-N 305.403 2.221 0 40 DEAB COc1ccc([C@@H](NC(=O)[C@H](C)SC)c2nccn2C)cc1 32626560 ATOJUSPKVFKFIC-SMDDNHRTSA-N 319.430 2.386 0 40 DEAB CC(C)Oc1cccc(CN2CCC(N3CCNC3=O)CC2)c1 52217535 UXVBJKTXVCZJDM-UHFFFAOYSA-N 317.433 2.463 0 40 DEAB NC(=O)N[C@@H](CC(=O)NC1CCCCC1)c1ccccc1F 32796269 YKUKVKVRKPDMAJ-AWEZNQCLSA-N 307.369 2.374 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N1CCO[C@@H]2CCCC[C@@H]21 41195000 BEQLWFAQSLBDEY-UONOGXRCSA-N 313.394 2.466 0 40 DEAB O=C(CCc1c[nH]c2ccccc12)NCc1nnc2n1CCCC2 41141058 ANTFQOKLCQAEJV-UHFFFAOYSA-N 323.400 2.345 0 40 DEAB O=c1ccccn1Cc1cc2c(cc1Br)OCCO2 21996985 HICLFSGVVXRRJU-UHFFFAOYSA-N 322.158 2.430 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)/C=C/c1ccccc1)c1ccco1 47031402 LNSYUYVJACUZBL-PABFRNLHSA-N 320.414 2.473 0 40 DEAB CC(=O)O[C@H](C(=O)NCc1ccc(F)cc1)c1ccccn1 1345047 BCGFHTWFERBIND-HNNXBMFYSA-N 302.305 2.141 0 40 DEAB O=C(NCC1CCCCC1)[C@@H]1CCCN(c2ncccn2)C1 1357936 WPXKMUXUALSQTC-OAHLLOKOSA-N 302.422 2.390 0 40 DEAB Cn1cc(CCC(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)cn1 79033009 DOTQLHTVWKZESX-IRXDYDNUSA-N 313.401 2.469 0 40 DEAB C[C@@H]1CN(C(C)(C)CNC(=O)c2ccc[nH]c2=S)C[C@@H](C)O1 42041488 DHUYDPLDWZZMPB-VXGBXAGGSA-N 323.462 2.362 0 40 DEAB COc1cccc([C@@H]2CCCN2C(=O)CCn2cncn2)c1 42009922 RAAJZKWFMDFTOK-HNNXBMFYSA-N 300.362 2.041 0 40 DEAB CCN(CC)S(=O)(=O)N[C@@H](C)c1ccc(OC)c(F)c1 23402855 WAJSQIACULCDAB-JTQLQIEISA-N 304.387 2.072 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 101646480 KHGZKIMUQLITFB-QBPKDAKJSA-N 306.333 2.044 0 40 DEAB Cn1ccnc1S(=O)(=O)Cc1cc(-c2ccccc2)on1 47943732 VCDMNPRSPXLKNU-UHFFFAOYSA-N 303.343 2.049 0 40 DEAB CC(=O)N1C[C@@H](C(=O)Nc2ccccc2O)Oc2ccccc21 21866454 JEGWTEBNCZCBFY-INIZCTEOSA-N 312.325 2.145 0 40 DEAB Cc1ccc(/C=C/S(=O)(=O)NNc2nc(C)cc(C)n2)cc1 55545988 OIZSVEGANUVTRI-CMDGGOBGSA-N 318.402 2.319 0 40 DEAB CN1CCN(Nc2ncnc3sc4c(c23)CCCC4)CC1 3295886 BPFGODLYPDKPEX-UHFFFAOYSA-N 303.435 2.144 0 40 DEAB COc1cc(CNC(=O)Nc2nnc(C(C)C)s2)ccn1 43696289 PTNGAWYNXYHZLV-UHFFFAOYSA-N 307.379 2.387 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)N1CCc2ccccc2C1 56917395 NHZRRNGNTNLIEC-ZDUSSCGKSA-N 303.406 2.059 0 40 DEAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1-n1cnnn1 12600703 HXIUGVUOMOGPQY-UHFFFAOYSA-N 323.400 2.361 0 40 DEAB C[S@](=O)CCNC(=O)NCc1cc2c(s1)CCCCC2 95398071 IUGUMESPQRLBGK-HXUWFJFHSA-N 314.476 2.195 0 40 DEAB C[C@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)N1CCCCC1)C(=O)N2 101639076 LXRVJTYVYXVCNN-DHSIGJKJSA-N 314.385 2.027 0 40 DEAB CC[C@H](C)NC(=O)CSc1nc2cc(C)[nH]c2c(=O)n1CC 57521766 CLODCTWKJOMRGQ-VIFPVBQESA-N 322.434 2.060 0 40 DEAB Cc1cc(NC(=O)CCNC(=O)c2ccccc2Cl)no1 10126201 GGKZVEABIHGWMB-UHFFFAOYSA-N 307.737 2.395 0 40 DEAB CN(C[C@H]1CCCN1Cc1cc(=O)c(O)co1)c1ccccc1 95398976 WSKIUJJWCCDDKN-OAHLLOKOSA-N 314.385 2.446 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)N(C)[C@@H](C)C2CC2)C[C@@H](C)O1 58171694 SARIVWSUMBTOAW-MJBXVCDLSA-N 311.470 2.314 0 40 DEAB Cc1[nH]c2ccc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)cc2c1C 44873179 CPSHRELOGVCLPO-ZDUSSCGKSA-N 320.414 2.044 0 40 DEAB CCOC(=O)c1ccoc1CN1CCC(C(=O)OCC)CC1 58283220 SWPOTZUXIMXKFZ-UHFFFAOYSA-N 309.362 2.231 0 40 DEAB CCSc1ccc(NC(=O)NCc2nncn2CC)cn1 58437997 HXQZJSHNIINPEN-UHFFFAOYSA-N 306.395 2.127 0 40 DEAB Cc1cccc(N2CCN(c3nccn4c(C)nnc34)CC2)c1C 345841349 AIPQJCHMMVYIFQ-UHFFFAOYSA-N 322.416 2.376 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1cnn(C2CCCCC2)c1 72275505 ORYPVMYZEDQZHZ-CQSZACIVSA-N 313.405 2.330 0 40 DEAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2cnn(C)c2)cc1 12851701 ACTFCGDCLJDKOH-LLVKDONJSA-N 302.330 2.247 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1cc(Cl)ccc1F 11547347 HCUDTQHBMYANCI-UHFFFAOYSA-N 318.739 2.494 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(N(C)C)nc2)no1 46197945 JASDLFZIRJVPJY-CQSZACIVSA-N 300.362 2.421 0 40 DEAB COc1cc(N[C@H](C)C(=O)N2CCCC2)cc(OC)c1OC 3453861 SOSTUPCAQZQQOD-LLVKDONJSA-N 308.378 2.135 0 40 DEAB C[C@H](NCC(=O)N1CCCc2ccccc21)[C@H](C)n1cccn1 72269799 CNULSQBRHUSBLS-GJZGRUSLSA-N 312.417 2.402 0 40 DEAB CCNC(=O)CN(CC)C(=O)/C=C/c1nc2ccccc2s1 13039348 IYYQOVSYCSQTLE-MDZDMXLPSA-N 317.414 2.294 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 64844452 VKEVVDYTXKOHLA-MRXNPFEDSA-N 301.317 2.399 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1C 4205018 IWVVFGLOSSZGSM-UHFFFAOYSA-N 319.382 2.480 0 40 DEAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCCC1 5140634 XSENRNGNHNZBRT-UHFFFAOYSA-N 311.385 2.359 0 40 DEAB biogenic CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)NCCc1c[nH]c2ccccc12 62001812 LNZHJJDGUYRQQP-UONOGXRCSA-N 300.358 2.183 0 40 DEAB biogenic Cc1ccc(C(=O)C(=O)Nc2ccc(-n3cc[nH]c3=O)cc2)cc1 65552190 VFPDHVYXDSNFPM-UHFFFAOYSA-N 321.336 2.295 0 40 DEAB O=C(CNC(=O)Cc1ccc2ccccc2c1)NCc1ccco1 14116621 UXTDICAJHOGCRJ-UHFFFAOYSA-N 322.364 2.408 0 40 DEAB COc1ccc(C2(CNC(C)(C)C(N)=O)CCCC2)cc1OC 4862886 KDGVAILWMWKTEX-UHFFFAOYSA-N 320.433 2.369 0 40 DEAB COc1cc(CCC(=O)Nc2cc(C)n[nH]2)cc(OC)c1OC 6920263 PSXINGYCJHKTMZ-UHFFFAOYSA-N 319.361 2.315 0 40 DEAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC[C@](C)(O)CC 72304465 VHHKDASEOHRAAB-DHSIGJKJSA-N 320.433 2.108 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(c1nc(C(C)C)ns1)CC2 96455799 DTGVKFVTQUFWEG-VXGBXAGGSA-N 311.451 2.418 0 40 DEAB NC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 7459052 XZTWSNULZGPRSK-UHFFFAOYSA-N 320.780 2.087 0 40 DEAB O=C(CSc1nc(-c2ccccc2)n[nH]1)NCC(F)(F)F 7471691 JAXPDWMFHAEIBI-UHFFFAOYSA-N 316.308 2.242 0 40 DEAB Cc1n[nH]c2ncc(C(=O)N3CCCC[C@H]3Cn3cccn3)cc12 71865285 PISNXGBEYSEKMB-AWEZNQCLSA-N 324.388 2.158 0 40 DEAB Cc1cccc(C[S@](=O)CC(=O)NCCCOC(C)C)c1 71858865 SNSCXPXZPICCKG-OAQYLSRUSA-N 311.447 2.175 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CC2)cc1 8116451 FGOUHGUAGWLDCZ-GFCCVEGCSA-N 324.446 2.304 0 40 DEAB COc1cnc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1O 16848129 XURDYUSXKAOJER-UHFFFAOYSA-N 301.302 2.007 0 40 DEAB Cc1cccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1 69350798 GEDSFOFEGZVHOL-AWEZNQCLSA-N 306.431 2.282 0 40 DEAB COc1cc(S(=O)(=O)Nc2ccncc2)c(OC)cc1C 19943464 FKDTVSJSOXFLEL-UHFFFAOYSA-N 308.359 2.208 0 40 DEAB Cc1[nH]cc(C(=O)N2[C@@H](C)CC[C@H]2C)c(=O)c1Br 96500643 MSSUFNIKKWBOSN-OCAPTIKFSA-N 313.195 2.459 0 40 DEAB NC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 8316371 JIYKSRIQCPOEOU-UHFFFAOYSA-N 302.355 2.449 0 40 DEAB COc1ccc(CN(C)CC(=O)Nc2c(C)n[nH]c2C)cc1C 69582031 VZOCHWPPHUMROP-UHFFFAOYSA-N 316.405 2.414 0 40 DEAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(N)=O)cc1 17337000 IRFILTDELJPANL-UHFFFAOYSA-N 322.368 2.336 0 40 DEAB CN(C)c1ncnc2c1CN(Cc1cc(F)ccc1F)CC2 97202442 FVSLAIITIOPCNL-UHFFFAOYSA-N 304.344 2.379 0 40 DEAB CNC(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 97081997 CVMUASGBQDNLSD-ZDUSSCGKSA-N 315.776 2.221 0 40 DEAB c1ccc(-c2noc(CCN3CCC[C@@H](n4cncn4)C3)n2)cc1 89851364 DFFPYAYNGRSWKR-OAHLLOKOSA-N 324.388 2.208 0 40 DEAB CCS(=O)(=O)N(C)c1ccc(C(=O)N2CCC(C)CC2)cc1 408703856 ZTJRWTNNPDMCFP-UHFFFAOYSA-N 324.446 2.345 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2c2noc(C)n2)cs1 76043871 MGUITEGLJASJOV-NSHDSACASA-N 306.391 2.303 0 40 DEAB Cc1cccc(N(C)C(=O)Cn2cnc3ccccc3c2=O)c1 67197233 RWJHGYYOTFJQRA-UHFFFAOYSA-N 307.353 2.368 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cn2)c(C)c1 69674935 BRFOQZMOSLXVPC-UHFFFAOYSA-N 320.370 2.286 0 40 DEAB CCOC(=O)c1cccc(N/C=C2\SC(=O)N(C)C2=O)c1 36636144 BVQBYYQHNXEUHG-FLIBITNWSA-N 306.343 2.442 0 40 DEAB COc1ccc([C@H]2[C@@H](N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 218113498 NJLMFCVZIITXAR-GVDBMIGSSA-N 317.410 2.271 0 40 DEAB CCc1ncnc(CC)c1C(=O)N1CC[C@H](C2CCOCC2)C1 556687779 VNXPYNVTEQZLMH-AWEZNQCLSA-N 317.433 2.490 0 40 DEAB COC1CCC(CCNC(=O)N2C[C@@H](N)C3(CCC3)C2)CC1 1553470469 JFYHUIYRFOSLNJ-YMAMQOFZSA-N 309.454 2.105 0 40 DEAB COCCCN1COC[C@@H](COc2ccc(Cl)cc2)OC1 31772104 YMBGHFZHEUSLNG-HNNXBMFYSA-N 315.797 2.388 0 40 DEAB CCN(C[C@H]1CCCN(CCN)C1)C(=O)OCc1ccccc1 79411615 PVSYACXGHKRIOH-KRWDZBQOSA-N 319.449 2.316 0 40 DEAB O=C(NCC1CCN(c2ncccn2)CC1)[C@@H]1CC=CCC1 75170350 SBNBLDKOOFSOGI-OAHLLOKOSA-N 300.406 2.166 0 40 DEAB Cc1cc(NC[C@@H]2CCCO2)n2nc(-c3nccn3C)cc2n1 72338481 VEGIQQMNCWHFLO-LBPRGKRZSA-N 312.377 2.029 0 40 DEAB Cc1cccn2c(O)c(C(=O)N[C@@H](C)c3ccccc3)c(=O)nc12 136836995 LKIRVFUVVXXWIM-LBPRGKRZSA-N 323.352 2.200 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCCN1Cc1ccccc1 79394296 NGDOIPZWTZBHAN-ROUUACIJSA-N 317.477 2.483 0 40 DEAB COc1ccc(OC)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c1 42646631 KFCSBKHWCBAZIV-YPMHNXCESA-N 320.389 2.337 0 40 DEAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2C1)c1nnc2ccccn12 40468733 LHZCCJDNVQCMFM-OCCSQVGLSA-N 322.368 2.158 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225608326 HEQXLABLIIPJMB-XGUBFFRZSA-N 301.342 2.403 0 40 DEAB O=C(c1ccco1)N1CC(n2cc(COc3ccccc3)nn2)C1 225625795 CEDGQZAYSVAUDG-UHFFFAOYSA-N 324.340 2.147 0 40 DEAB Cc1nncn1CCNC(=O)Cc1cc(Cl)ccc1Cl 96445371 HHMYLPXVTDZWMU-UHFFFAOYSA-N 313.188 2.252 0 40 DEAB O=C(NCCCNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CCC1 96451683 VNSKGYURUFUFFM-HZPDHXFCSA-N 318.392 2.352 0 40 DEAB CO[C@H]1CO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 96072182 DUNYMBAIDIGQOO-PXAZEXFGSA-N 300.358 2.188 0 40 DEAB Cc1cnc2cc(C(=O)N3CCC(c4cnc[nH]4)CC3)ccn12 578640769 XNQQAJNRCODQDR-UHFFFAOYSA-N 309.373 2.386 0 40 DEAB Cc1nc(CN2CC[C@]3(CCCN(C(=O)N(C)C)C3)C2)cs1 96215519 QLRGULMKXCBUQX-MRXNPFEDSA-N 322.478 2.421 0 40 DEAB CCNC(=O)NCCCOC(=O)C1(c2cccc(F)c2)CC1 96407081 SRVFLFLTUIELKV-UHFFFAOYSA-N 308.353 2.110 0 40 DEAB Cc1oc(=O)oc1CN1c2cccc3cccc(c23)S1(=O)=O 96136961 YJYUQBJLJIFLLA-UHFFFAOYSA-N 317.322 2.403 0 40 DEAB CCNC(=O)N1C[C@H](OCc2nc3ccc(C)cc3[nH]2)[C@H](F)C1 96112079 UVDWEMUBCKEUFO-RISCZKNCSA-N 320.368 2.140 0 40 DEAB biogenic,in-vitro CC(C)OCCS(=O)(=O)N[C@H]1CCCC[C@H]1C(F)(F)F 96451012 ZEBZGXSCRGMVRI-MNOVXSKESA-N 317.373 2.452 0 40 DEAB CCOc1ccc(S(=O)(=O)N(CC)CC(F)(F)F)cn1 96500799 HHPVFTWDVSXTTC-UHFFFAOYSA-N 312.313 2.053 0 40 DEAB CCCn1nnnc1CNc1cc(Cl)ccc1C(=O)N(C)C 96453366 IZKRXAVSHPCXLN-UHFFFAOYSA-N 322.800 2.050 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@H](C)C1CCC1)CC2 252585733 KSAKZAHZTDYTIX-VHDGCEQUSA-N 310.438 2.137 0 40 DEAB O=C(c1ccncc1)N1CC[C@H](c2noc(-c3ccco3)n2)C1 253473124 RMKQGSVDDGTCKC-LBPRGKRZSA-N 310.313 2.354 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@@H](c2cnccn2)C1 257292633 QMIZZCWVDCGHRG-OAHLLOKOSA-N 311.385 2.434 0 40 DEAB COc1cccc(C[C@@H]2CC3(CCN(CCO)CC3)CO2)c1 257203464 AQEFDWQELPUSBU-QGZVFWFLSA-N 305.418 2.101 0 40 DEAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cccn2C)ccn1 257278321 OBUDBLHTABBWEB-SFHVURJKSA-N 312.417 2.393 0 40 DEAB Cn1cc(NC(=O)Nc2cc3c(cc2Cl)OCCO3)cn1 69413667 DBSPDLQIYBIJGD-UHFFFAOYSA-N 308.725 2.489 0 40 DEAB CO[C@H]1CN(C(=O)Cc2ccc(F)cc2)CC[C@@]12CCCO2 257299583 RQQVQBHMHUKIJO-RDJZCZTQSA-N 307.365 2.165 0 40 DEAB CN(Cc1ccccc1N1CCOCC1)c1ncc(F)cn1 269485691 MRGPKGDMWUQFIK-UHFFFAOYSA-N 302.353 2.089 0 40 DEAB Cc1cccc2c1OC[C@H](NC(=O)N1C[C@@H](C)OC[C@H]1C)C2 291313142 RWQQRRISQPCVOG-UMVBOHGHSA-N 304.390 2.117 0 40 DEAB CN(C)CCS(=O)(=O)N1CCC[C@H]1c1ccc(Cl)cc1 390834302 VYTMFYBJAJXWST-AWEZNQCLSA-N 316.854 2.368 0 40 DEAB COC[C@@H]1CCn2cncc2CN1C(=O)Cc1ccc(C)cc1 585098164 VKADWWGRTSJVMH-INIZCTEOSA-N 313.401 2.182 0 40 DEAB O=S(=O)(C[C@@H]1CCOC1)N(Cc1ccsc1)C1CC1 69700529 ZKOXGCNOJUIJDN-GFCCVEGCSA-N 301.433 2.079 0 40 DEAB COC(=O)C1CCN(C(=O)CSc2ccccc2F)CC1 35151624 LZVOMOQAHOZXDW-UHFFFAOYSA-N 311.378 2.329 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n1 54120616 MIDJNKQOKPTIKV-AWEZNQCLSA-N 300.362 2.112 0 40 DEAB CCCCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 52842504 JSCFBXBZIYFCEU-KRWDZBQOSA-N 317.389 2.151 0 40 DEAB CN(Cc1ncc(C(C)(C)C)o1)CC1CCN(CCO)CC1 75603060 ARGHMSREEBSTTD-UHFFFAOYSA-N 309.454 2.108 0 40 DEAB CCCc1sc(C(=O)N2CCOC[C@@H]2C(=O)O)cc1CC 88374387 PVDURIBAAFNDBD-LLVKDONJSA-N 311.403 2.189 0 40 DEAB COC(=O)c1sc(NC(=O)C2CCOCC2)nc1C1CC1 89417728 VQEMRAOLIYYVTO-UHFFFAOYSA-N 310.375 2.172 0 40 DEAB C[C@@H]1CN(Cc2cccc(OC3CCCC3)c2)C[C@@H](C(N)=O)O1 92006058 XTSNLSZRSPVLLE-DYVFJYSZSA-N 318.417 2.083 0 40 DEAB CC[C@H](O)CN(Cc1ccccc1)C(=O)[C@@]1(C)CCCNC1 195554559 SMOXBLZBRCNAPH-WMZOPIPTSA-N 304.434 2.176 0 40 DEAB C[C@H](Cc1ccc(Cl)cc1)NC[C@@H]1CCCS1(=O)=O 91398584 BWAJYYPQMPKUOF-RISCZKNCSA-N 301.839 2.438 0 40 DEAB CC(C)(C)CC(=O)N1CCOC[C@@](O)(COc2ccccc2)C1 1615142456 LVXQLFZIMYQZKL-GOSISDBHSA-N 321.417 2.092 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 5523012 HEQXLABLIIPJMB-QPSCCSFWSA-N 301.342 2.403 0 40 DEAB O=C1CN(C(=O)c2ccc3c(c2)OCCO3)c2ccccc2N1 15912398 LYZGXBCWRUDUSX-UHFFFAOYSA-N 310.309 2.057 0 40 DEAB CCn1ccnc1SCC(=O)NC(=O)N[C@H]1CCCC[C@@H]1C 11890437 UUWVHMXCRSBPSQ-RYUDHWBXSA-N 324.450 2.400 0 40 DEAB Cc1ccnn1-c1ccc(C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13260753 ZLFCVWAWCZYHOK-CQSZACIVSA-N 313.357 2.118 0 40 DEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)nn1 1888843345 PUQKYKNMVHYMKR-SJPCQFCGSA-N 313.405 2.188 0 40 DEAB CC(C)Oc1cnccc1C(=O)N(C)[C@H]1CCN(C(C)C)C1 1033295551 MDOIYUZNXMNNRM-AWEZNQCLSA-N 305.422 2.424 0 40 DEAB CCc1ccc(C(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)cn1 1565550533 BGVOEYDXBGCLFK-ROUUACIJSA-N 310.397 2.462 0 40 DEAB CNC(=O)[C@@H]1Cc2ccccc2N1C(=O)NC1CCCCC1 10256261 YXURSYZYJPWZTJ-HNNXBMFYSA-N 301.390 2.206 0 40 DEAB Cc1ccccc1CN1CCC[C@H](N(C)S(=O)(=O)C2CC2)C1 2086889583 XBKWDJCCNIQLEB-INIZCTEOSA-N 322.474 2.383 0 40 DEAB O=C(c1cc2occc2[nH]1)N1CCN(c2ccccc2O)CC1 85472904 WGBFEHDUKJFAAJ-UHFFFAOYSA-N 311.341 2.429 0 40 DEAB CC[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1noc(C)n1 97234457 ZFQIUBNXPKSGFF-STQMWFEESA-N 318.381 2.489 0 40 DEAB C[C@H]1CN([C@@H](C)CNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1 40087857 GYQBWMVVZALSAB-RWMBFGLXSA-N 322.474 2.464 0 40 DEAB COC(=O)C[C@@H](NC(=O)[C@@H](C)OCC(C)C)c1ccccc1 40541463 QRCDTWRBHGJZMP-UKRRQHHQSA-N 307.390 2.468 0 40 DEAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(O)nn1 31917351 QILANTWHCRAVJM-UHFFFAOYSA-N 309.325 2.144 0 40 DEAB Cn1ccc(CN2CCC([C@H](O)c3ccccc3)CC2)cc1=O 51531797 FATIYRITTICZCJ-LJQANCHMSA-N 312.413 2.331 0 40 DEAB CC(=O)NC1=NN(C(C)=O)[C@]2(CCCc3ccccc32)S1 201320 JVSQRCLQBFZKDB-OAHLLOKOSA-N 303.387 2.178 0 40 DEAB CCCCn1c(N)c(N(C)CCCC2CCCC2)c(=O)[nH]c1=O 78970930 PPQMFSHIVLAOFW-UHFFFAOYSA-N 322.453 2.326 0 40 DEAB CCOC(=O)[C@@H](NC(C)=O)[C@@H](O)c1ccc(Cl)cc1Cl 1714344 XKTPQGLAWZCSQQ-RYUDHWBXSA-N 320.172 2.095 0 40 DEAB C[C@H](CC(=O)O)NS(=O)(=O)c1cccc(Cl)c1Cl 37413117 CJEPHHWTIQVMBJ-ZCFIWIBFSA-N 312.174 2.135 0 40 DEAB CC(=O)Nc1ccc(OC[C@@H](O)CN2CCC[C@@H](C)C2)cc1 6455102 GESMYNQNRCGSED-CJNGLKHVSA-N 306.406 2.117 0 40 DEAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1ccc(F)cc1 6679903 HZOALMHFGMZOPN-UHFFFAOYSA-N 314.363 2.095 0 40 DEAB Cc1nc2ccccc2n1CCNc1cc(Cl)nc(N)n1 24056655 LHVAVJZLPCFVRU-UHFFFAOYSA-N 302.769 2.482 0 40 DEAB COc1cc(C(=O)NCc2ccc(C)nc2)cc(OC)c1OC 47556588 OHLBKXDGCVQRGV-UHFFFAOYSA-N 316.357 2.346 0 40 DEAB CCCC[C@H](COC)NC(=O)C(=O)Nc1cc(F)cc(F)c1 72291079 VWLFOTQEQPIJLJ-GFCCVEGCSA-N 314.332 2.225 0 40 DEAB Cc1cccc(C)c1NC(=O)NCCNC(=O)c1ccco1 43357663 RHEXFBDZHVSROZ-UHFFFAOYSA-N 301.346 2.448 0 40 DEAB Cc1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2C[C@H]2CCOC2)cc1 106905681 HFAHAIVJPFUXBG-FRFSOERESA-N 317.385 2.396 0 40 DEAB O=C(Nc1cccc(Cl)c1N1CCOCC1)C1=COCCO1 12543109 WAXWGTTTZXKQNQ-UHFFFAOYSA-N 324.764 2.003 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)c[nH]1 34973241 IORJNXDPZIZMBS-UHFFFAOYSA-N 318.713 2.306 0 40 DEAB CC(C)n1c(N)nnc1SCc1cnn(-c2ccccc2)n1 57950022 IGYPZAYJWSXBGN-UHFFFAOYSA-N 315.406 2.314 0 40 DEAB CCOc1ncccc1NC(=O)NCCCCN1CCCC1 48200675 GHDYVGOLHFCKBD-UHFFFAOYSA-N 306.410 2.478 0 40 DEAB Cc1csc(NC(=O)COc2ccc3c(c2)CCC(=O)N3)n1 44835998 RBMGKGQYSNOICS-UHFFFAOYSA-N 317.370 2.354 0 40 DEAB CC(=O)Nc1ccc(C2=NN=C(NC3CC3)SC2)c(F)c1 12797681 QDPFTELOJHAADF-UHFFFAOYSA-N 306.366 2.343 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)Cn2cccn2)on1 44969745 DSCJJTOIHDEAEY-STQMWFEESA-N 303.366 2.115 0 40 DEAB Cc1cc(C(=O)NCc2ccccc2CN2CCCC2=O)no1 44910572 GSORCZSUFGHYIL-UHFFFAOYSA-N 313.357 2.035 0 40 DEAB CCC1=CC(c2c(O)c3ccccc3n(C)c2=O)=N[C@@H](C)CN1 101513899 WWPBKEJERQFOLN-NSHDSACASA-N 311.385 2.319 0 40 DEAB O=C(Cc1ccsc1)N1CCN(C(=O)c2ccccc2)CC1 3344904 FITUSNCYJUNCGV-UHFFFAOYSA-N 314.410 2.275 0 40 DEAB CCc1cc2c(N3CCN(CC(C)(C)O)CC3)ncnc2s1 58325869 CVKSIOJIAFBYGE-UHFFFAOYSA-N 320.462 2.147 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1CN1CCCC1 58323959 WUGSSSLVXSJDAU-CQSZACIVSA-N 313.401 2.457 0 40 DEAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)N1CCCCCC1 28037739 LBWWUDRPYFFTCJ-UHFFFAOYSA-N 322.434 2.116 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Cl)nn2)C1 95083000 URCYLEPGEDLUET-JTQLQIEISA-N 312.801 2.229 0 40 DEAB NC(=O)[C@H]1c2ccccc2CCN1CCc1ccc2c(c1)CCO2 95405133 QCZMWLYVFZPASW-LJQANCHMSA-N 322.408 2.249 0 40 DEAB O=C(NCc1ccncc1)C(=O)Nc1cccc2c(O)cccc12 36365905 VGIJQENFYPBUQK-UHFFFAOYSA-N 321.336 2.195 0 40 DEAB O=S(=O)(Nc1cccc2[nH]ncc12)c1ccc2c(c1)CCO2 48353647 UHXQMBOJHRXNML-UHFFFAOYSA-N 315.354 2.299 0 40 DEAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cccc(F)c1F 102747667 FQFWIQJZLHDLAJ-DIUUZDHRSA-N 309.312 2.282 0 40 DEAB COc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)O)c(OC)c1 2422410 WBYLOOZNRZVRGR-ZDUSSCGKSA-N 324.377 2.002 0 40 DEAB CCC(CC)NS(=O)(=O)c1ccc(NC(C)=O)c(OC)c1 13042383 YYCKBTNWBIQHDY-UHFFFAOYSA-N 314.407 2.121 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2occc(=O)c2c1 71288361 JUEVJDCTZPFJQY-STQMWFEESA-N 301.298 2.088 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)O 4162866 ZIVSMMZWULXRQI-RQJABVFESA-N 301.342 2.150 0 40 DEAB C[C@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OCCO2 5101156 DJDNDYVBTWZIKA-QMMMGPOBSA-N 323.399 2.429 0 40 DEAB Cc1noc(C)c1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 5181989 ZEEQJUHFQJMTAG-SNVBAGLBSA-N 313.313 2.446 0 40 DEAB Nn1c(SCc2cn3cc(Cl)ccc3n2)nnc1C1CC1 5266691 ZAKKHPUMGJDPBV-UHFFFAOYSA-N 320.809 2.463 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)[C@H](C)OC[C@@H]1CCCO1 65564591 ZBXZNXLDVUDSLM-ZFWWWQNUSA-N 322.405 2.069 0 40 DEAB Cc1nn(C(F)F)c(C)c1CC(=O)N1C[C@@H](C)O[C@H](C)C1 65502079 SYENJHFUEQRGKV-RKDXNWHRSA-N 301.337 2.073 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)C1(c2cccc(C)c2)CCCC1 65620734 OBIFHWNDKQUMOG-AWEZNQCLSA-N 302.418 2.448 0 40 DEAB Cc1sc2nc(CSc3nncn3C)[nH]c(=O)c2c1C 5667149 QFIIQIBUXQTYSN-UHFFFAOYSA-N 307.404 2.022 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCO3)cn1 71796859 AJGKOSBMGJIRHO-INIZCTEOSA-N 311.385 2.261 0 40 DEAB COC(=O)c1ccc(CCC(=O)NCc2nc(C)cs2)cc1 68261034 APCVDBULVBAIAU-UHFFFAOYSA-N 318.398 2.487 0 40 DEAB COc1ccccc1CN1C(=O)[C@H](NC(C)=O)c2ccccc21 8047381 DTVLFNAKIKTWLL-QGZVFWFLSA-N 310.353 2.419 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccncc2)CC1 71835144 CRNGWZDDKFNBOF-HOTGVXAUSA-N 311.385 2.123 0 40 DEAB CC(=O)Nc1cccc(COC(=O)[C@H]2C[C@H]2c2cnn(C)c2)c1 71859307 WDLFUUPXRVMSSY-HOTGVXAUSA-N 313.357 2.225 0 40 DEAB Cc1nccn1CCCC(=O)N1CCC[C@@H](n2cccn2)C1 69347344 WACWQLGLIWAISJ-OAHLLOKOSA-N 301.394 2.032 0 40 DEAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCC(N2CCCCC2)CC1 83888550 IIXUUNOIYHJLBG-WBVHZDCISA-N 324.465 2.047 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)N(C)CCN(C)C1CCN(C)CC1 69655793 ZFQGGUGRMMMYTQ-RDJZCZTQSA-N 324.513 2.233 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)[C@@H]2CC=CCC2)CC1 69771899 QDCSQSDMQVWLJF-CQSZACIVSA-N 300.406 2.260 0 40 DEAB COC[C@H]1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2 306142083 WOWXPGIUNQVJQU-CYBMUJFWSA-N 300.358 2.045 0 40 DEAB C[C@H](NCCCn1c(=O)oc2ccccc21)[C@H](C)n1cccn1 69950712 GDVGFNILSOYGQG-KBPBESRZSA-N 314.389 2.420 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@@H]2CO)cn1 95412085 SXFNSGDUHMBXBH-DGCLKSJQSA-N 312.435 2.227 0 40 DEAB Nc1ccnc(CNC(=O)C2(c3ccc(F)cc3)CCCC2)n1 97046179 ULDJHJAEABXVSZ-UHFFFAOYSA-N 314.364 2.326 0 40 DEAB C[C@@H](CNC(=O)C1(O)CCSCC1)c1ccc(F)cc1F 95979435 QKWJBYHWNAWJTC-JTQLQIEISA-N 315.385 2.443 0 40 DEAB CO[C@H]1CCCC[C@H]1NC(=O)N1CCC(CCN(C)C)CC1 74758851 KZIONSYMPNOCGX-CVEARBPZSA-N 311.470 2.317 0 40 DEAB COc1ccc(NC(=O)N2CCC(N(C)CCCO)CC2)cc1 89346033 FPIQJPSECAGMTB-UHFFFAOYSA-N 321.421 2.006 0 40 DEAB O=C(CCc1cccc(F)c1F)Nc1c[nH]nc1[C@H]1CCNC1 1549732479 USELBHPGWKTKOV-NSHDSACASA-N 320.343 2.336 0 40 DEAB C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)N1CCCCC1)C(=O)N2 486008 LXRVJTYVYXVCNN-JOQOYGCGSA-N 314.385 2.027 0 40 DEAB biogenic Cc1cc(C(=O)NCc2ccc(C)n2C)n(C2CCOCC2)n1 1553441945 FFVMDDLPVRICHB-UHFFFAOYSA-N 316.405 2.120 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c(Cl)c1 77939827 JYCFPPBNTHOHJA-RISCZKNCSA-N 324.808 2.254 0 40 DEAB COC(=O)c1cnc2c(C)c(-c3ccc(OC)cc3)nn2c1N 71279238 LVYHAHKULOKHGQ-UHFFFAOYSA-N 312.329 2.082 0 40 DEAB Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1 74957919 QBOLWFSMTZEVRV-KGLIPLIRSA-N 309.431 2.389 0 40 DEAB CON1CCC(C(=O)N[C@@H]2CCCOc3ccccc32)CC1 521396305 KNLVRIPBFDOCIL-OAHLLOKOSA-N 304.390 2.290 0 40 DEAB CS(=O)(=O)c1ccc(-c2noc(C3(O)CCCCC3)n2)cc1 125546835 OVSARLUGAISWKS-UHFFFAOYSA-N 322.386 2.292 0 40 DEAB O=C(C1CCC1)N1CCC(n2nc(C3CC3)ccc2=O)CC1 72335433 YESSECHHKOWWRU-UHFFFAOYSA-N 301.390 2.084 0 40 DEAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1cccc(F)c1 71979737 LGXFIDVHPASCFL-ZDUSSCGKSA-N 307.321 2.412 0 40 DEAB Cc1ccnc(C)c1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 568344484 HIANLGIAGNTGDR-CQSZACIVSA-N 301.390 2.286 0 40 DEAB COC(=O)C(NC(=O)OCc1ccccc1)=C1CCOCC1 71791747 WSSDTJRIABIZQT-UHFFFAOYSA-N 305.330 2.150 0 40 DEAB Cc1noc(CNC(=O)Cc2ccc(OCC(C)C)cc2)n1 78609939 RJYBWWJYJRTOIB-UHFFFAOYSA-N 303.362 2.272 0 40 DEAB COc1cc(Br)c(Br)c(CO)c1O 40544714 VTQBVXYOCDMBLX-UHFFFAOYSA-N 311.957 2.418 0 40 DEAB Cc1ncccc1CNC(=O)N1CC[C@H](n2cc(Cl)cn2)C1 528260674 QKNFAOTWAPCBDM-AWEZNQCLSA-N 319.796 2.397 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3C[C@H]3C(=O)O)C2)cc1 575183926 OVFRDORJXCOSJG-ARFHVFGLSA-N 301.386 2.497 0 40 DEAB Cc1ccc2cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)ccc2n1 135784939 UOTXFRZHUPBGKP-GTJPDFRWSA-N 304.415 2.382 0 40 DEAB Cc1cc(=O)c(OCc2cc(-c3cnn(C)c3C)no2)co1 194686131 CAOXUAUZVBAMOM-UHFFFAOYSA-N 301.302 2.224 0 40 DEAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)cc(OC)c1O 49546240 VEGYQSDBDUXVSW-VIFPVBQESA-N 303.318 2.267 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](Oc2cccnn2)C1 225409867 IQHPCYRTZDZBEY-AWEZNQCLSA-N 322.368 2.180 0 40 DEAB O=C(NC1CC1)C1CCN(CCc2ccc3c(c2)CCO3)CC1 75644301 HCGRZAJDLADCJO-UHFFFAOYSA-N 314.429 2.155 0 40 DEAB CNC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225817431 FDXDGMIEXADIIS-UHFFFAOYSA-N 310.151 2.178 0 40 DEAB CC(=O)NC(=S)Nc1cc(C)c(O)c(Br)c1 226243459 XMJJWWIIPZOFBK-UHFFFAOYSA-N 303.181 2.296 0 40 DEAB CCS(=O)(=O)C[C@H](C)N[C@@H]1CCCN(C2CCCCC2)C1 195549803 NVKYEWLNHFDHID-LSDHHAIUSA-N 316.511 2.196 0 40 DEAB Cc1ccnc(OC[C@@]23CCO[C@@H]2CCN(CC2CC2)C3)n1 96110463 PCWYISNTVDPUCK-WBVHZDCISA-N 303.406 2.055 0 40 DEAB C[C@@H]1CN(C(=O)CCc2ccncc2)CCN1CC(F)(F)F 96486083 JYBXLWXYIZFJNW-GFCCVEGCSA-N 315.339 2.109 0 40 DEAB CC(C)n1cc(S(=O)(=O)N[C@@H](C)Cc2ccsc2)cn1 96427775 WOLJLHDVICRHAP-NSHDSACASA-N 313.448 2.435 0 40 DEAB c1ccc(O[C@H]2COC3(CCN(C4CCOCC4)CC3)C2)nc1 96110829 CISKZWPZHYBWNV-MRXNPFEDSA-N 318.417 2.263 0 40 DEAB Cc1nc(CN2C[C@H]3[C@@H](NC(=O)OC(C)(C)C)CC[C@H]3C2)no1 96502767 QMABBXCZQHYOOM-XQQFMLRXSA-N 322.409 2.113 0 40 DEAB Cc1nnc(CN2CCCC[C@@H]2CNC(=O)c2ccccc2)o1 96445770 GJENIIJVAFZGQC-OAHLLOKOSA-N 314.389 2.163 0 40 DEAB COc1ccc(CN2CCO[C@H](c3noc(C)n3)C2)cc1F 95958072 QUNASJXQMTWJNH-AWEZNQCLSA-N 307.325 2.099 0 40 DEAB CCc1n[nH]c(=S)n1CCNC(=O)Nc1ccc(F)cc1 96448255 ZDMWZSHJRXZLGJ-UHFFFAOYSA-N 309.370 2.464 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)ccn1 96420816 ZFCMIXPJLYNOQZ-CQSZACIVSA-N 318.421 2.406 0 40 DEAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4cccs4)CC[C@@H]23)[nH]1 96206754 OQRMGSSOJOGTFJ-YUELXQCFSA-N 318.446 2.254 0 40 DEAB COCCN1CCC(NC(=O)/C=C(\C)c2ccc(F)cc2)CC1 96402385 CMWRSAXLDBQJCV-BUHFOSPRSA-N 320.408 2.456 0 40 DEAB COc1cccc(C(=O)N2CCC(C(=O)NC(C)C)CC2)c1 244395897 YHMQNOYBCLIORA-UHFFFAOYSA-N 304.390 2.072 0 40 DEAB CCn1cc(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)cn1 257226998 FNEGMNZVPPLPGW-CYBMUJFWSA-N 301.394 2.029 0 40 DEAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3cncnc3)C[C@@H]21 257325900 WUXZNNGFSRVTTQ-SOLBZPMBSA-N 310.401 2.469 0 40 DEAB Cc1cnc(CCNC(=O)C(F)(F)C2(O)CCCC2)s1 252496819 PSIJIXZSROMZES-UHFFFAOYSA-N 304.362 2.051 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC(c2cnccn2)CC1 257313038 UQTIRYCESLHIMY-UHFFFAOYSA-N 307.357 2.373 0 40 DEAB COc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC(C)C)n1 260739856 QAQLIQCSLQYWFV-NSHDSACASA-N 323.466 2.416 0 40 DEAB CCc1cccc(NC(=O)CNC(=O)c2cnn3ccccc23)c1 390833171 DAUUSDCOODOPJI-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB OC[C@]1(Cc2cccc(F)c2)CN(Cc2cccnc2)CCO1 585276614 QNZKRKFKRXSBDU-SFHVURJKSA-N 316.376 2.027 0 40 DEAB O=C(O)c1cc(C2CCN(C(=O)C3[C@H]4CCC[C@H]34)CC2)no1 1548597532 LKMGJYZFHNWEMV-QWRGUYRKSA-N 304.346 2.125 0 40 DEAB Cc1cccc(C(C)(C)CNC(=O)N[C@H](C)c2nncn2C)c1 68887269 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0 40 DEAB CCCn1nnnc1CS[C@H](C)C(=O)Nc1cccc(F)c1 40497392 CZGISEIEOSFFJH-SNVBAGLBSA-N 323.397 2.483 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@H]1CCN(c2ccccc2)C1 31235975 OZUBBAZLMBNQRU-HNNXBMFYSA-N 313.401 2.477 0 40 DEAB C1CO[C@@H](CN(Cc2nc(C3CC3)no2)C[C@H]2CCCO2)C1 40540254 ZRVNQJACSJEJON-ZIAGYGMSSA-N 307.394 2.107 0 40 DEAB CCN(CC)[C@@H](CNC(=O)c1ccc(O)nn1)c1ccsc1 31988997 HDQXMIJJEFOJOT-ZDUSSCGKSA-N 320.418 2.057 0 40 DEAB Cc1ccc(-n2nnnc2-c2cnc(N)nc2C(F)(F)F)cc1 119442 BKKIBZHTBLNPKY-UHFFFAOYSA-N 321.266 2.029 0 40 DEAB Cc1ccccc1NC(=O)[C@H]1C[C@H](O)CN1C(=O)OCC(C)C 260620 FQFDMELHLFNWNC-DZGCQCFKSA-N 320.389 2.161 0 40 DEAB COc1cccc2c1OC[C@H](NC(=O)NCc1ccccc1)C2 78481387 WSCMQPPQZLFDHK-OAHLLOKOSA-N 312.369 2.498 0 40 DEAB O=C(NCCCc1ccc(Cl)cc1)N1CCC2(C1)OCCO2 78952262 WYUZQTOICVSQLW-UHFFFAOYSA-N 324.808 2.431 0 40 DEAB COc1cccc(OC)c1OC[C@@H](O)CN1CCCC[C@H]1C 3893506 CLFCNMVBIRZSGE-KGLIPLIRSA-N 309.406 2.318 0 40 DEAB O=C(O)c1cc(NS(=O)(=O)N2CCCCC2)ccc1Cl 37642006 XBSLRASVCFCPFX-UHFFFAOYSA-N 318.782 2.181 0 40 DEAB O=C(NC1CCCC1)c1ccc(NC(=O)N2CCOCC2)cc1 47757124 LXEQUOBZYUCGOG-UHFFFAOYSA-N 317.389 2.223 0 40 DEAB CC(C)C[C@@H](CNC(=O)Nc1nccs1)N1CCOCC1 42758668 CRKFMOPPXLVWMO-LBPRGKRZSA-N 312.439 2.012 0 40 DEAB CNC(=O)CN1CCC(CN(C)[C@H](C)c2cccc(C)c2)CC1 72667182 RIBDIHMQTTXETK-MRXNPFEDSA-N 317.477 2.446 0 40 DEAB CCn1ncc(S(=O)(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C 101599034 LQTDTJWFWHSHQS-FMKGYKFTSA-N 311.451 2.314 0 40 DEAB COc1ccc(CN2CCc3nc(=S)[nH]c(O)c3C2)cc1 57509334 SDMIEGKQXVQIEZ-UHFFFAOYSA-N 303.387 2.412 0 40 DEAB Cc1cnn(CC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)c1 55946814 VIHQHCXUTWJTMS-RDJZCZTQSA-N 317.364 2.367 0 40 DEAB O=C(NCCCN1CCCCCC1)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1 107146275 KHPSFUQIEIADRH-YYIAUSFCSA-N 321.465 2.071 0 40 DEAB Cc1cccc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)n1 26311995 YKRTXNJFGQGFKN-UHFFFAOYSA-N 313.357 2.018 0 40 DEAB Cn1cnc(S(=O)(=O)Nc2cccc3cccnc23)c1Cl 26535237 HYRRSDCQQWQSSY-UHFFFAOYSA-N 322.777 2.423 0 40 DEAB CCC[C@H](C)NC(=O)COC(=O)c1cc(C)nc2onc(C)c12 22194112 USQQKYLSFLPNGC-VIFPVBQESA-N 319.361 2.301 0 40 DEAB CCCn1nc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1=O 102402248 JZTMKUWNIDZHGZ-SYQHCUMBSA-N 303.406 2.208 0 40 DEAB COc1ccc(NC(=O)N[C@@H](C)C(=O)NC2CCCC2)cc1 58064747 JUSXSJARNUKZKX-NSHDSACASA-N 305.378 2.264 0 40 DEAB Cn1cccc1[C@@H]1CCCN1C(=O)NCCCn1cccn1 58268712 RTYQTDRDPJUSDF-HNNXBMFYSA-N 301.394 2.158 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831813 KDXHXIQYXJAXSM-VUHPKUFZSA-N 324.509 2.216 0 40 DEAB CN(CC(=O)NC1CC1)C(=O)c1ccc(Cl)c(Cl)c1 12790678 DFTHRGUVCHDCEV-UHFFFAOYSA-N 301.173 2.344 0 40 DEAB COc1cc(NC(=O)c2cc(C(C)=O)cn2C)cc(OC)c1 58353726 BCWXMYTXTLGZIG-UHFFFAOYSA-N 302.330 2.497 0 40 DEAB CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccc3c(c1)OCO3)CCO2 107720372 FRPPAUCKLLAPLV-FRFSOERESA-N 305.374 2.184 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H]2CCCO2)c(Cl)c1 28326453 YFLADBJMMIOCDE-ZYHUDNBSSA-N 303.811 2.494 0 40 DEAB COc1ccc(C(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)c(C)c1 95411701 KXFCHXVOTKNYIE-LSDHHAIUSA-N 304.390 2.168 0 40 DEAB COc1ccc(/C=C/C(=O)OCC(=O)NC2CCCC2)cc1 3391735 REXIDKANIDSNCV-DHZHZOJOSA-N 303.358 2.310 0 40 DEAB CN(C)c1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 46216451 MIBONGZCYGYODY-CJNGLKHVSA-N 319.430 2.145 0 40 DEAB O=C(NCc1ccccc1)c1ccc(=O)n(Cc2ccccc2)n1 3477359 MWFJSVFPQZESKO-UHFFFAOYSA-N 319.364 2.222 0 40 DEAB CCOCCCNC(=O)c1cn(CC)c2ccc(C)cc2c1=O 408713118 KUQTXQQZXIBUPI-UHFFFAOYSA-N 316.401 2.486 0 40 DEAB O=C(O)c1ccc(OCCN2C3=NCCN3c3ccccc32)cc1 13539700 WTHNFLFDVZNPOA-UHFFFAOYSA-N 323.352 2.460 0 40 DEAB Cn1ncc2c(NCCO)nc(Nc3ccc(Cl)cc3)nc21 4374973 QOZJLWMRSFVOIU-UHFFFAOYSA-N 318.768 2.165 0 40 DEAB CCC[C@H](NC(N)=O)C(=O)N(Cc1ccccc1F)C1CC1 65494914 ORBUDPNLCLNIKJ-AWEZNQCLSA-N 307.369 2.154 0 40 DEAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 4472270 PZVJFNOMMUCRQT-YXYQAXARSA-N 321.354 2.293 0 40 DEAB O=C(N[C@H](Cc1ccccc1)CN1CCCCC1)[C@H]1CCOC1 65501270 WTCRKOAUNSHNON-ZWKOTPCHSA-N 316.445 2.236 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@H](c1ccco1)N1CCCC1 9336151 NBSLTLOAVFLELJ-HNNXBMFYSA-N 317.389 2.380 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C(N)=O)no1 15394135 YFHALPREZKQXPE-MRVPVSSYSA-N 323.736 2.141 0 40 DEAB O=C(O)c1sccc1S(=O)(=O)Nc1ccc(F)cc1 15424137 JFKISMOGRQMUSC-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(F)cc1 7401941 AUPGOMPFRBHVDK-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB NC(=O)[C@H]1CCCN1c1nc(-c2cccnc2)nc2ccccc12 9477487 FQVNHAOWIBMUIE-OAHLLOKOSA-N 319.368 2.146 0 40 DEAB CCc1ccc([C@H](C)NC(=O)CSc2nnnn2CC)cc1 16460699 GOZQSAKQJWEUPD-NSHDSACASA-N 319.434 2.225 0 40 DEAB CN(C)c1ncc(CNC(=O)N(C)C2CCCCCC2)n1C 83738397 KNDYHZCICDCCGZ-UHFFFAOYSA-N 307.442 2.350 0 40 DEAB c1ccc(Cn2ccnc2CN2CCc3cncnc3C2)cc1 69493428 PEPRFTMUWNASKX-UHFFFAOYSA-N 305.385 2.280 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C[C@@H](C)O1 17325350 JBXASQYZRQORIZ-TXEJJXNPSA-N 302.374 2.285 0 40 DEAB O=C1[C@@H](N2CCC(n3cccc3)CC2)CCN1CC(F)(F)F 71896998 YNYZOZMYLBRGOO-ZDUSSCGKSA-N 315.339 2.288 0 40 DEAB CCCN(CCc1cccc(F)c1)c1ccc2nnnn2n1 69656294 LFYDHIBCDSZVOD-UHFFFAOYSA-N 300.341 2.118 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CC[C@H]2CCCO2)n1 71870170 GJKODDKRUHWOGA-HZPDHXFCSA-N 305.422 2.450 0 40 DEAB COC(=O)[C@@H]1CN(CC(=O)NCc2ccccc2)c2ccccc21 69739590 LBIDRSUYCZPLIW-MRXNPFEDSA-N 324.380 2.080 0 40 DEAB Cc1ccccc1OCC(=O)OCc1cc(=O)n2ccccc2n1 18035115 PHCSELIORWDKRE-UHFFFAOYSA-N 324.336 2.125 0 40 DEAB COCCN1CCN(CCCc2nc3ccccc3o2)C[C@@H]1C 69976334 WVTHMNYIBCWGMX-HNNXBMFYSA-N 317.433 2.413 0 40 DEAB O=C(C[C@H]1CCOc2ccccc21)N[C@@H]1CCc2nccn2C1 72287270 WWVJWOWCSHRGRQ-ZIAGYGMSSA-N 311.385 2.271 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72235217 QHCYYRHZNBZXSP-AWEZNQCLSA-N 319.434 2.066 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(C(=O)O)ccn2)C1 72233909 JHLTWDMPGNWSKT-GFCCVEGCSA-N 321.377 2.273 0 40 DEAB COC[C@H](O)CN(C)C(=O)c1ncoc1-c1ccccc1Cl 87450544 VCALSUZNNMFYNT-SNVBAGLBSA-N 324.764 2.074 0 40 DEAB C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)O 95425152 IJPXPWMRMUAVBS-QMMMGPOBSA-N 301.264 2.326 0 40 DEAB NC(=O)[C@H](NC(=O)c1cc2ccccn2c1)c1ccc(F)cc1 97147414 PAPWJMHVHBOALA-OAHLLOKOSA-N 311.316 2.035 0 40 DEAB Cc1occc1CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 95426130 CPIAZONRZIZBNC-DZGCQCFKSA-N 310.419 2.442 0 40 DEAB CN(C[C@@H]1CCOC1)C(=O)NC[C@@H]1OCCc2sccc21 95408205 RUGKCLQXXDRTFD-AAEUAGOBSA-N 310.419 2.040 0 40 DEAB CN(C)C1CCN(CCN[C@H]2CCc3ccc(F)cc32)CC1 95968943 HMYGFWJZYOUHTE-SFHVURJKSA-N 305.441 2.429 0 40 DEAB O=C(Cc1ccc(F)c(F)c1)N[C@@H]1COc2ccccc2C1=O 95986920 AVVOEXWZGAQHRG-CQSZACIVSA-N 317.291 2.267 0 40 DEAB CC(=O)Nc1nc(CN[C@H](C)[C@H](C)n2cc(C)cn2)cs1 75133933 ZWDXMZJETYEUTL-MNOVXSKESA-N 307.423 2.346 0 40 DEAB Cn1cc(CNC(=O)Cc2ccc(Br)cc2)cn1 27929274 PHSAOCFOXRVGSV-UHFFFAOYSA-N 308.179 2.042 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc(CN(C)C)cc2)no1 76046367 QNHSTCGFKJVNAP-HNNXBMFYSA-N 314.389 2.417 0 40 DEAB O=C(O)c1ccc2c(=O)n(Cc3ccccc3)c(S)nc2c1 34781237 HTASGNOHACSDQY-UHFFFAOYSA-N 312.350 2.432 0 40 DEAB CC[C@@H](C)[C@H](CO)NC(=O)Cn1cnc(-c2ccccc2)c1 503922198 JGJQWVCFWFMZNM-CJNGLKHVSA-N 301.390 2.073 0 40 DEAB O=C(C1CC1)N1CC[C@]2(C1)Cn1c(-c3ccccc3)cnc1CO2 306142303 WVULXBUDJPAHDP-IBGZPJMESA-N 323.396 2.461 0 40 DEAB O=C(O)[C@H]1COC2(CCCCC2)N1C(=O)c1ccc(F)cc1 35572288 UQOUQEUNISHGIB-CYBMUJFWSA-N 307.321 2.412 0 40 DEAB Cc1ccc([C@H](CNc2cc(C)nc3ncnn23)N(C)C)cc1 64114188 IRTLKTZEXDEEMS-HNNXBMFYSA-N 310.405 2.456 0 40 DEAB CC(C)(C)OC(=O)[C@H]1N[C@H](C(=O)O)Cc2c1[nH]c1ccccc21 39351852 AVCAAQIORRKXMZ-JSGCOSHPSA-N 316.357 2.150 0 40 DEAB O=C(C=C1CCC1)NCc1ccccc1CN1CCC[C@H]1CO 185132099 WSLYXUJKDGKAKU-SFHVURJKSA-N 314.429 2.370 0 40 DEAB CN1C(=O)C[C@H](C(=O)NCC2CCC2)[C@@H]1c1cccc(F)c1 72259870 ZDKLIAHNSOXJNM-HOCLYGCPSA-N 304.365 2.261 0 40 DEAB CC(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 30752943 CSETUSGADWGOGE-UHFFFAOYSA-N 304.799 2.097 0 40 DEAB CC[C@H](NC(=O)NCCc1nnc2n1CCC2)c1cccs1 86369927 MCBPDUDSKAJMEF-NSHDSACASA-N 319.434 2.279 0 40 DEAB COCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c(C)n1 225891677 WCLIMYWZQSLFKF-MRXNPFEDSA-N 308.378 2.169 0 40 DEAB COc1ccccc1[C@H]1CC[C@@H](C)CN1Cc1nc(=O)n(C)[nH]1 329041131 DMGUKDUJHWYQBG-TZMCWYRMSA-N 316.405 2.090 0 40 DEAB O=C(NCCCc1cnc2ncnn2c1)c1cc2ccccc2o1 225641610 XDYOVAUPIXXKJH-UHFFFAOYSA-N 321.340 2.233 0 40 DEAB Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2cccc(Cl)c2)cn1 80892607 SKZADSVQLHXQHQ-MOEXGYKKSA-N 319.792 2.111 0 40 DEAB Cc1ccc(N2CCOCC2)c(N(C)C(=O)C(F)(F)F)c1 226280528 LKXMHEDVWBKYJT-UHFFFAOYSA-N 302.296 2.357 0 40 DEAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)N[C@@H]1C[C@@H]2OCCC[C@H]21 195573835 VFKBOGJKQZGKMD-TWMKSMIVSA-N 321.465 2.118 0 40 DEAB Cn1ncnc1Cn1c(=O)n(C2=CCCCC2)c2ccccc21 97212812 IYPZBYMLDKYWMA-UHFFFAOYSA-N 309.373 2.395 0 40 DEAB CCc1nnc(O)c(CNC(=O)[C@H](C)C(F)(F)F)c1CC 331216141 OXXWMAMYQIFDGM-ZETCQYMHSA-N 305.300 2.122 0 40 DEAB CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccoc1C 96412354 YWTKBYBELSLDRJ-WFASDCNBSA-N 321.421 2.424 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)N1CCc2ccccc2C1 96419956 FMGQMOQENZGQTD-HNNXBMFYSA-N 318.417 2.198 0 40 DEAB CC(C)S(=O)(=O)CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 96407299 UQPDRXMWVQFWMZ-CYBMUJFWSA-N 303.468 2.484 0 40 DEAB COC(=O)[C@H]1CN(Cc2ncc(-c3ccccc3C)o2)CCO1 96441412 UBVTWVXXZQDWQS-OAHLLOKOSA-N 316.357 2.024 0 40 DEAB Cn1ncc(C(=O)N2CCN(c3ccccc3)CC2)c1Cl 96182599 DTUKZHGJGYUZEW-UHFFFAOYSA-N 304.781 2.036 0 40 DEAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCn2ccnc2C1 97201449 MRNNULRRIBBFGP-AWEZNQCLSA-N 302.422 2.094 0 40 DEAB CCOc1cc(N2CCC[C@@H](c3nncn3C(C)C)C2)ncn1 97095457 LBIDITHZZASJRJ-CYBMUJFWSA-N 316.409 2.432 0 40 DEAB Cc1cc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2cnn(C)c2)oc1C 96200924 XWAZBKTUIFDZDZ-MSOLQXFVSA-N 316.449 2.377 0 40 DEAB Cc1ccc(CCC(=O)N2CCN(c3ncccc3F)CC2)o1 90457092 IUHVNTXFZINTOV-UHFFFAOYSA-N 317.364 2.404 0 40 DEAB O=C(Nc1ccccc1Cl)c1cc(N2CCOCC2)ncn1 244300377 WXLLDLRQUBVRIV-UHFFFAOYSA-N 318.764 2.219 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@H]1c1ccnc(O)n1 257208797 BNPYBALFHPXIJE-ZDUSSCGKSA-N 317.320 2.064 0 40 DEAB CC(C)[C@@H]1CCCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 251333357 OTDUXCJDBQDGML-HEHGZKQESA-N 310.463 2.478 0 40 DEAB CC(=O)N[C@H]1CCN(Cc2cccc3ccccc23)CC[C@@H]1O 257315515 VBTKMBKSLREESW-OALUTQOASA-N 312.413 2.301 0 40 DEAB COc1cc(CCC(=O)N2CCC[C@H]2c2cncc(C)n2)on1 257204239 ATRRDHDKRQIIGV-AWEZNQCLSA-N 316.361 2.078 0 40 DEAB CC(=O)N1CC[C@@H](Cc2nccnc2-c2c(C)noc2C)C1 257219210 DGAHDEUREUVRDX-ZDUSSCGKSA-N 300.362 2.159 0 40 DEAB O=S(=O)(C1CC1)N1CCC(CSc2ccccn2)CC1 90608077 WYJNARCWOBXRSK-UHFFFAOYSA-N 312.460 2.378 0 40 DEAB CCCCN1CCC[C@@]2(CC(C(=O)NCC(F)(F)F)=NO2)C1 585101145 IUAYWYNMZQBZNB-CYBMUJFWSA-N 321.343 2.076 0 40 DEAB CC1(C)CC(NC(=O)NCc2nc(C3CC3)no2)CC(C)(C)N1 56447080 AQNDVSSBKDOTNG-UHFFFAOYSA-N 321.425 2.055 0 40 DEAB CCOc1ccc(Cl)c(C(=O)N[C@@](C)(CC)C(=O)OC)n1 58201727 MMBUPWNKVKPSKP-AWEZNQCLSA-N 314.769 2.205 0 40 DEAB O=C(NCc1cn[nH]n1)c1cccc(OC2CCCCC2)c1 97011688 AHFDUQKLVDUOSF-UHFFFAOYSA-N 300.362 2.446 0 40 DEAB COc1nc2ccccc2cc1CN[C@@H]1CCCn2ncnc21 97034967 VMHVZLJGKJTXAU-OAHLLOKOSA-N 309.373 2.460 0 40 DEAB Cc1nnc([C@H]2CCCN(C(=O)c3snnc3C)C2)s1 42380312 XCWDZQWUNVNRKQ-VIFPVBQESA-N 309.420 2.026 0 40 DEAB CC[C@H](C)[C@H](NC(=O)/C=C/c1ccc(OC)cc1)C(=O)OC 7141122 OEWFFYQKKSWGPU-YBXGNVEJSA-N 305.374 2.412 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@H](c2ccc(Cl)c(Cl)c2)N1 5818896 HQUDGNCRBVPFLW-MNOVXSKESA-N 312.156 2.405 0 40 DEAB COc1ccccc1CC(=O)N[C@@H](C)Cn1nnc2ccccc21 12145024 GPHBUCNTBGPKJA-ZDUSSCGKSA-N 324.384 2.187 0 40 DEAB COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 19201472 JHJYGCNBOSRWPU-OAHLLOKOSA-N 324.380 2.365 0 40 DEAB O=C(O)[C@@H]1[C@@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccccc1 204848937 RNTIHOVXFWISGI-KFWWJZLASA-N 302.351 2.327 0 40 DEAB O=C(O)C1CCN(C(=O)c2ccccc2Br)CC1 11566522 SGMVNGVGYNSMNQ-UHFFFAOYSA-N 312.163 2.386 0 40 DEAB CCS(=O)(=O)N1CCCCC[C@H]1c1nn(C)cc1Cl 19520336 GTJXVCZJQXIBMJ-NSHDSACASA-N 305.831 2.340 0 40 DEAB Cc1cc(-c2nnc(NC(=O)c3ccccc3F)o2)n(C)n1 13614689 AVIXFIMBVBPXAC-UHFFFAOYSA-N 301.281 2.170 0 40 DEAB C=CC(=O)N1CCC(C(=O)Nc2ccccc2)(n2cccn2)CC1 2055772129 ZUBVRKSAMFGXRK-UHFFFAOYSA-N 324.384 2.026 0 40 DEAB Cc1ccsc1CCC(=O)N1CC(Nc2cccnn2)C1 606440562 BDEAVQZJARADMJ-UHFFFAOYSA-N 302.403 2.102 0 40 DEAB COc1ccccc1CNC(=O)NCCc1cn2ccccc2n1 31031231 NAGXLFHJCYHLDI-UHFFFAOYSA-N 324.384 2.385 0 40 DEAB COc1ccc(N2C(=O)C[C@H](N(C)c3ccccc3)C2=O)cc1 100998226 BKTCWIKIYARZJD-INIZCTEOSA-N 310.353 2.464 0 40 DEAB CCOc1ccc(CN(C)C(=O)c2ccc(=O)[nH]c2)cc1OC 32999655 QXQISJFUOREFCJ-UHFFFAOYSA-N 316.357 2.054 0 40 DEAB Cn1cccc1[C@@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 76401271 AWASLSGIIPVMGR-HNNXBMFYSA-N 324.446 2.046 0 40 DEAB Cc1cc(C(F)F)nn1CC(=O)NCc1ccc2c(c1)OCO2 2762710 LOYQALZEARPVGJ-UHFFFAOYSA-N 323.299 2.174 0 40 DEAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)O)n2C)cc1 420584 MXQBRVILYDMXPE-JTQLQIEISA-N 307.375 2.268 0 40 DEAB CC(C)C[C@H](NC(=O)N1CCO[C@H](CO)C1)c1cccs1 78905221 DLNPZWFUIOMILN-STQMWFEESA-N 312.435 2.238 0 40 DEAB CCC[C@@H](C)NC(=O)CSc1nnnn1-c1ccccc1 3575606 PICAVXQLVUTMHX-LLVKDONJSA-N 305.407 2.059 0 40 DEAB CC1(C)[C@]2(C(=O)N3CCC[C@H](C(=O)O)C3)CC[C@@]1(C)C(=O)C2 4045091 YOFGYQIZDUGKMQ-MZPVMMEZSA-N 307.390 2.095 0 40 DEAB Cc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c(C)c1 4318893 KBLLIJMOFHJJFN-OAHLLOKOSA-N 316.357 2.468 0 40 DEAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC2CC2)n1C 4947909 DOLWZROXUBWCTN-VIFPVBQESA-N 306.391 2.143 0 40 DEAB CCN1CCN(C(=S)c2cc(Cl)c(O)c(OC)c2)CC1 6953482 OZEFOGNFORKERO-UHFFFAOYSA-N 314.838 2.367 0 40 DEAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1O 7603653 YRLBLNBIZQNMJS-WDZFZDKYSA-N 308.315 2.310 0 40 DEAB Cc1nn(C)c2ncc(C(=O)NCCCOCC(C)C)cc12 23751313 YBCVOKFTXCRYEV-UHFFFAOYSA-N 304.394 2.069 0 40 DEAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCCn1ccnc1 8025023 XURYWBDEGWFQQA-MRXNPFEDSA-N 317.389 2.256 0 40 DEAB O=C(CN1CCSC1=O)NCC12CC3CC(CC(C3)C1)C2 8428030 FFDWBRSWZXDTNC-UHFFFAOYSA-N 308.447 2.488 0 40 DEAB NC(=O)c1cc(NCC(=O)Nc2ccccc2)ccc1Cl 24757637 PYIVSPTYMKZRKW-UHFFFAOYSA-N 303.749 2.490 0 40 DEAB C[C@H]1CN(CC2CCN(C[C@H]3CCCCO3)CC2)C[C@@H](C)O1 106647181 JTZHWVMENWCQJE-SOLBZPMBSA-N 310.482 2.377 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)n(C)n1 43435135 RSHHHJHKMQUETA-ZDUSSCGKSA-N 317.393 2.280 0 40 DEAB CN(C)c1ccc(NC(=O)NC[C@H]2Cc3ccccc3O2)cn1 48091390 GRIUYDIBMAQQIB-CQSZACIVSA-N 312.373 2.273 0 40 DEAB CC(=O)Nc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 25374483 MBFDUBOKEKTMQO-UHFFFAOYSA-N 318.398 2.265 0 40 DEAB COc1ccc(CCCNC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 56488992 UVEXIIRMPJTNRD-CJNGLKHVSA-N 306.406 2.495 0 40 DEAB CC(C)(NC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1)C(N)=O 57051031 ZWHKVIKDNBEBIA-UHFFFAOYSA-N 314.172 2.468 0 40 DEAB Cn1c(=S)c2nc(SCc3cccnc3)[nH]c2n(C)c1=O 100132769 QWBLDCDLJHPULD-UHFFFAOYSA-N 319.415 2.017 0 40 DEAB in-vitro CN(Cc1ccc(Cl)s1)C(=O)N[C@H]1CCCCNC1=O 44968176 XUHPSBBUEAXWSQ-JTQLQIEISA-N 315.826 2.212 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)NCCNc1cnccn1)C2 44915339 HUDUBIUTWFANHF-CQSZACIVSA-N 314.414 2.030 0 40 DEAB CCCN(CC(F)F)C(=O)Nc1cccc(-c2nnnn2C)c1 58324750 ZDTCUOFNHSKSRP-UHFFFAOYSA-N 324.335 2.386 0 40 DEAB O=C(NC[C@@H](O)c1ccccc1)[C@H](c1ccccc1)n1cccn1 58401344 NZZWASIBTHZLBC-MSOLQXFVSA-N 321.380 2.322 0 40 DEAB COC(=O)c1ccccc1NC(=O)N1CCN(CC(C)C)CC1 20543604 NMVQXBIIXOFWDS-UHFFFAOYSA-N 319.405 2.279 0 40 DEAB O=C(NCCc1cccs1)c1ccc(N2CCNC2=O)cc1 48324450 RXBCLIBQXGQLDO-UHFFFAOYSA-N 315.398 2.250 0 40 DEAB CC(C)c1nn(C)cc1CNCc1ccc(Cn2cncn2)cc1 48375441 FZFYJAJGGNOSJT-UHFFFAOYSA-N 324.432 2.473 0 40 DEAB CCCOc1ccc(N2C(=O)C[C@H](N3CCCC3)C2=O)cc1 2318893 PYEYHZYACHLNPQ-HNNXBMFYSA-N 302.374 2.203 0 40 DEAB CCCN(C(=O)COc1c(C)nn(C)c1C)c1cccnc1 95412322 QUVNWEZLPYSGGV-UHFFFAOYSA-N 302.378 2.254 0 40 DEAB Cc1ccc(C)c(C(=O)CN2C(=O)N[C@H](CC(C)C)C2=O)c1 3487426 BEBZYURXRYKZDB-CQSZACIVSA-N 302.374 2.453 0 40 DEAB C[C@@H](NC(=O)CSc1nnc(N)s1)c1ccc(F)cc1 3545419 AVRJYMOJFKCOBM-SSDOTTSWSA-N 312.395 2.229 0 40 DEAB CCNC(=O)COC(=O)c1oc2ccc(OCC)cc2c1C 3519603 XLADYOVNNGPFCG-UHFFFAOYSA-N 305.330 2.433 0 40 DEAB CCOC(=O)c1ncn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 309693290 NDYWMPIHXVXMPS-LLVKDONJSA-N 324.381 2.027 0 40 DEAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2c(C(N)=O)oc3ccccc23)cn1 63913802 PHZCCGHJPDFGRM-RYUDHWBXSA-N 324.340 2.007 0 40 DEAB COc1cc(C(=O)N[C@@H](C)CCn2cncn2)ccc1Cl 97022178 GNSNOBXLQHHOBW-JTQLQIEISA-N 308.769 2.149 0 40 DEAB C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccncc1 14095954 WHSYWXUBGUCCCU-LBPRGKRZSA-N 322.368 2.128 0 40 DEAB in-vitro CCOc1ccc(OCCOC(=O)c2cnc(C)cn2)cc1 6549524 SCWUGCURKUVPLM-UHFFFAOYSA-N 302.330 2.420 0 40 DEAB C[C@H](NS(=O)(=O)c1cccc2cccnc12)c1cnn(C)c1 27919538 MVKIHNRGTNWNGA-NSHDSACASA-N 316.386 2.008 0 40 DEAB Cc1nn(C)c2sc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc12 14804959 WMIVRXOQJRDGLQ-SECBINFHSA-N 323.418 2.403 0 40 DEAB C[C@@H]1CN(C(=O)c2ccccn2)CCN1C(=O)OC(C)(C)C 72297190 WXAPTKVTIREIEK-GFCCVEGCSA-N 305.378 2.163 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccccn1 67125704 NWZNWBBNMLEPJF-CQSZACIVSA-N 319.405 2.487 0 40 DEAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)n1C 7495121 PFBFEOMATGTYKH-UHFFFAOYSA-N 301.371 2.296 0 40 DEAB O=C(Cc1csc(-c2ccoc2)n1)Nc1c[nH]ccc1=O 72291650 CPIKXABFINDWPH-UHFFFAOYSA-N 301.327 2.273 0 40 DEAB CC(C)c1noc(CN(C)C[C@@H]2COc3ccccc3O2)n1 71794654 CUAHUHQIIWSKDS-GFCCVEGCSA-N 303.362 2.465 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCC(=O)C(C)(C)C 8392148 SXTJOAAMCMRSLC-UHFFFAOYSA-N 312.387 2.171 0 40 DEAB COc1ccc(CNC(=O)NCCCn2ccnc2)cc1C 69442824 LOSSCFQTCYJJPI-UHFFFAOYSA-N 302.378 2.090 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@@H](C)O1 17324370 ZOZMHCIXJFOOMA-BETUJISGSA-N 302.374 2.063 0 40 DEAB CN(c1cccnn1)C1CCN(C(=O)[C@H]2CC=CCC2)CC1 69771898 QDCSQSDMQVWLJF-AWEZNQCLSA-N 300.406 2.260 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CCCC[C@@H]1Cc1ccccc1 69847146 CNBVKDQHUBFHKG-MRXNPFEDSA-N 323.458 2.435 0 40 DEAB O=C(C[C@H]1CCc2ccccc2C1)NCCNc1ncccn1 71899399 YUSCVFHTWBORIP-AWEZNQCLSA-N 310.401 2.200 0 40 DEAB COCCn1c(SCCN2CCCC2=O)nc2ccccc21 71843148 CYGPHIABWQOZIN-UHFFFAOYSA-N 319.430 2.397 0 40 DEAB C[C@@H](CS(=O)(=O)Nc1ccc2nncn2c1)c1ccccc1 97135137 IXILSWVSXLWUSO-LBPRGKRZSA-N 316.386 2.275 0 40 DEAB CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](CCO)c1ccccc1 83897704 XDGLBQLOJXIXDE-BZUAXINKSA-N 306.406 2.367 0 40 DEAB CN(C(=O)[C@H]1C[C@@H]1c1ccco1)c1ccccc1S(C)(=O)=O 83869783 ALEYOEWSKIXWMI-RYUDHWBXSA-N 319.382 2.450 0 40 DEAB C[C@@H]1SCCN(C[C@H](O)Cn2cccn2)[C@@H]1c1ccccc1 71911179 ANKWNLOVISWQIF-XIRDDKMYSA-N 317.458 2.423 0 40 DEAB O=C(COC[C@H]1CCCO1)Nc1ccccc1CN1CCCC1 71904432 HBVRRPMFRNECHL-MRXNPFEDSA-N 318.417 2.417 0 40 DEAB CCCOC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C 71922114 IHXRNPLBLHQTJO-SNVBAGLBSA-N 306.387 2.367 0 40 DEAB Cc1cc(C)c(CNC(=O)NCCc2cccs2)c(=O)[nH]1 72305720 ROFJSMJAFIMEHM-UHFFFAOYSA-N 305.403 2.095 0 40 DEAB COc1cccc(CNC(=O)N2CCCC[C@@H]2c2cn[nH]c2)n1 97234629 ICVSRGAUFSFXGY-CQSZACIVSA-N 315.377 2.250 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCC[C@H]1O 73745489 BAMZGYDCCCFVIL-UONOGXRCSA-N 315.373 2.302 0 40 DEAB CSCC[C@H](N)C(=O)N1CCO[C@@H](c2ccc(C)cc2C)C1 95971146 BKURXVVWSIBHAV-JKSUJKDBSA-N 322.474 2.284 0 40 DEAB Cc1nn(C)cc1[C@H](C)NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 95973793 IVLVOULYUDKDEI-FATJJJSSSA-N 318.421 2.046 0 40 DEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1cc(C)n[nH]1 95953025 UKYAAIHBTVZXED-HNNXBMFYSA-N 312.373 2.193 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](N[C@@H](CCO)C(C)(C)C)C1 95940726 CEXUGJJANOSHRN-OLZOCXBDSA-N 300.443 2.383 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)CSc1nnc(C2CC2)s1 74804931 WKGZFLWKSACIBQ-UHFFFAOYSA-N 309.420 2.486 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2CCCO)c(F)c1 89616787 GHQYOBOCVAQSJA-GFCCVEGCSA-N 301.383 2.060 0 40 DEAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@H]1N1CCOCC1 76052783 RFEJUFFIFQYACU-VDHUWJSZSA-N 320.477 2.382 0 40 DEAB CCc1nsc(N2CCN(Cc3nc(C)c(C)o3)CC2)n1 76062146 VWDLXTNUZBANGN-UHFFFAOYSA-N 307.423 2.028 0 40 DEAB CCn1nccc1C(=O)N[C@H](C)c1cc(OC)ccc1OC 28238295 IZOCIQKQGRHRSZ-LLVKDONJSA-N 303.362 2.411 0 40 DEAB O=C(NCCOc1ccc(C(F)(F)F)cc1)c1cnsn1 129734349 VEDXCOBMMABMTF-UHFFFAOYSA-N 317.292 2.366 0 40 DEAB O=C(NCCSCc1ccco1)[C@@H]1COc2ccccc2O1 408922551 FTYURCBYSFWISR-HNNXBMFYSA-N 319.382 2.469 0 40 DEAB C[C@@H](O)C(=O)NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1 189119774 ROOYLWUJYISLJL-MRVPVSSYSA-N 305.271 2.373 0 40 DEAB COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1C 409127615 DQKFBZRJRNIBSL-IZZDOVSWSA-N 307.327 2.125 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@](O)(CN)c1ccccc1 72208000 DBFWNSCDJLQVOI-YOEHRIQHSA-N 306.406 2.232 0 40 DEAB Cc1ncc2c(n1)CCN(C[C@@H]1CN(c3ccccc3)CCO1)C2 565312058 NYHVZFGXWJNNJB-GOSISDBHSA-N 324.428 2.049 0 40 DEAB Cc1cc(C(N)=O)nc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1 72388410 CNBNRZPVCDFBRW-GOSISDBHSA-N 324.384 2.035 0 40 DEAB C[C@@]1(c2ccccc2)CCCN(CC(=O)NC2CCOCC2)C1 79097504 MYZJKJDLABOKML-LJQANCHMSA-N 316.445 2.335 0 40 DEAB Cc1occc1COC(=O)c1ccc(CS(C)(=O)=O)cc1 73536371 QOFNKCVLQWYTMY-UHFFFAOYSA-N 308.355 2.490 0 40 DEAB CC[C@H](C)C(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386017 FYGHZRPBCUAJGW-SMDDNHRTSA-N 300.358 2.211 0 40 DEAB Cn1nc(CNC(=O)/C=C/c2ccccc2)c2ccccc2c1=O 75148885 MKOYMWHWBMETPF-VAWYXSNFSA-N 319.364 2.263 0 40 DEAB CC(C)(C(=O)N1CCC(OCCCN)CC1)c1cccc(F)c1 195543028 NRZDYJSZVKUOMC-UHFFFAOYSA-N 322.424 2.460 0 40 DEAB Cc1c(OCC(=O)NCc2ccc(Cl)cc2)c(=O)ccn1C 44922192 SKVWITVIQVPVGX-UHFFFAOYSA-N 320.776 2.042 0 40 DEAB CCOC(=O)c1nn(-c2ncc(Cl)cc2Cl)nc1C 89262181 NGRYUWWELTXDHH-UHFFFAOYSA-N 301.133 2.454 0 40 DEAB CCn1nc(-c2cccc(Br)c2)cc(C(=O)O)c1=O 225963290 LJDPAUFWWALIGH-UHFFFAOYSA-N 323.146 2.391 0 40 DEAB Cc1ccc(C(=O)N[C@H]2NN=C(c3sc(C)nc3C)O2)cc1 41097649 VUOPNPMGVGQLDM-HNNXBMFYSA-N 316.386 2.063 0 40 DEAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NCc1cn2ccccc2n1 195554239 OJZKYZYYVNGBEV-ZFWWWQNUSA-N 316.405 2.027 0 40 DEAB O=C(N[C@H](CO)c1ccc(Cl)c(F)c1)c1ccncc1F 97100852 SYGBUPOMYBJXGL-CYBMUJFWSA-N 312.703 2.477 0 40 DEAB Cc1cccc(CN2C[C@@H]3CN(c4cccnc4)C[C@@H]3C2=O)c1 96245286 QMIZTCZIZZWTGZ-WMZOPIPTSA-N 307.397 2.485 0 40 DEAB COC[C@H]1CN(Cc2ccoc2)Cc2nnn(CC3CC3)c21 96060881 RYAHXUPOWCMPHN-CQSZACIVSA-N 302.378 2.027 0 40 DEAB CCN(C1CCN(Cc2ccc(C)s2)CC1)S(C)(=O)=O 93320606 GIDIXWZPFYNBTN-UHFFFAOYSA-N 316.492 2.302 0 40 DEAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1=O)C1=CCCCO1 97212729 RKUVZKYDOGPMKU-AWEZNQCLSA-N 318.348 2.132 0 40 DEAB CN(C(=O)CCc1ccco1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96422460 WPNIMFONJNIDIT-KGLIPLIRSA-N 313.419 2.026 0 40 DEAB Fc1cccc(-n2nnnc2SCc2nc(C3CC3)n[nH]2)c1 96492770 KGRKVUUMMVUNAL-UHFFFAOYSA-N 317.353 2.089 0 40 DEAB CC(C)NC(=O)[C@H]1C[C@@H]2CN(Cc3cccc(Cl)c3)C[C@H]1O2 96252900 YNTKWJIRUMEBBJ-OWCLPIDISA-N 322.836 2.454 0 40 DEAB O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(CCO)CC2 96244759 VBEVTIKTNCLADU-KRWDZBQOSA-N 314.429 2.054 0 40 DEAB Cc1onc(C(C)C)c1C(=O)N1CCOC[C@H]1c1ccn[nH]1 257338181 YWIMACBJQZORJF-LBPRGKRZSA-N 304.350 2.043 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](Cc2ccn[nH]2)C1 257324927 WQTVFPSAGGHAKE-ZDUSSCGKSA-N 302.378 2.038 0 40 DEAB Cc1csc(C(=O)N2CCO[C@H](c3nc(C)cn3C)C2)c1 257302774 SEIFSBWDMMTKBD-LBPRGKRZSA-N 305.403 2.312 0 40 DEAB Cc1oc2c(c1C(=O)N1CC[C@H](O)[C@]3(CCCO3)C1)CCCC2 257332211 XWGPXAKFMZVSCG-YJBOKZPZSA-N 319.401 2.223 0 40 DEAB Cc1ccc2ccccc2c1S(=O)(=O)N(C)[C@@H](C)C(=O)O 630414717 DYXXDXLNDNQXKG-NSHDSACASA-N 307.371 2.242 0 40 DEAB O=C(NCCOCCn1ccnc1)c1c(F)cccc1Cl 575620331 RYOWULVAWHVYKS-UHFFFAOYSA-N 311.744 2.122 0 40 DEAB CCCc1onc(C)c1C(=O)N1CC2(C[C@H](OC)CS2)C1 575405757 ZUTCBIWHEHHZGJ-NSHDSACASA-N 310.419 2.282 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC[C@H](Oc2ncccn2)C1 575605496 QJZZGOIHUVHUFH-AWEZNQCLSA-N 301.321 2.299 0 40 DEAB O=C(O)c1ccc(N2CCC(Nc3ccc(F)cc3)CC2)nn1 581491369 QNYMOTXXTBRQKZ-UHFFFAOYSA-N 316.336 2.395 0 40 DEAB Cc1nc(C(F)F)n(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 684840391 QPRBBJZGMHMHSQ-VGDYDELISA-N 312.364 2.465 0 40 DEAB CCOC(=O)Cc1csc(Sc2nccc(OC)n2)n1 42848068 DNYDYRCQKHQQHM-UHFFFAOYSA-N 311.388 2.199 0 40 DEAB COC(=O)CCSc1nnc(-c2ccccc2OC)n1C 32389484 QBIVRZDUVXOJGC-UHFFFAOYSA-N 307.375 2.146 0 40 DEAB O=C(NCCNc1ncnc2ccccc12)c1ccc(F)nc1 73243333 QYCKKHHGGZCDFM-UHFFFAOYSA-N 311.320 2.006 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1cnc(-c2ccccc2)nc1 58325399 BTMQQMOHCXKQEM-UHFFFAOYSA-N 307.357 2.149 0 40 DEAB CN(C(=O)CCc1cnn(-c2ccccc2)c1)c1cnn(C)c1 75146443 IPSUQSLWBIVMDB-UHFFFAOYSA-N 309.373 2.201 0 40 DEAB Cc1ccc(CC(=O)NCc2ccnc(-n3ccnc3C)c2)cn1 84191236 HUAJZLMZAXIENS-UHFFFAOYSA-N 321.384 2.138 0 40 DEAB Cc1ncc(C(=O)NCc2noc(-c3ccccc3)n2)c(C)n1 12203094 BVBFJYDSIAMVOF-UHFFFAOYSA-N 309.329 2.073 0 40 DEAB CCN(CC)CC[C@H]1CN(C(=O)C2CCC2)CC[C@H]1CC(=O)O 12480664 CKAOZAHGOGIPPM-HOTGVXAUSA-N 324.465 2.458 0 40 DEAB biogenic,in-vitro C[C@@H](NC(=O)NCc1ccccc1)c1nc(-c2cccnc2)n[nH]1 13565310 IGSJIIDVABWXKV-GFCCVEGCSA-N 322.372 2.427 0 40 DEAB CN1c2ccccc2Oc2ccc(C(=O)O)cc2S1(=O)=O 15109655 FJTCXHPHCPPAQK-UHFFFAOYSA-N 305.311 2.316 0 40 DEAB COc1cnc(C(=O)Nc2ccc(OC)c(OC)c2)cc1O 16848081 UKGHRRSNLQWCES-UHFFFAOYSA-N 304.302 2.065 0 40 DEAB CCc1noc(C)c1C(=O)N1CC[C@@H](C(=O)N2CCCCC2)C1 19747872 TXTSUTZWOGNTKY-CYBMUJFWSA-N 319.405 2.020 0 40 DEAB Cc1cc(C)cc(N(CC(=O)NC2CCCC2)S(C)(=O)=O)c1 19947121 PHKPBSUGTNRGDV-UHFFFAOYSA-N 324.446 2.128 0 40 DEAB CC(C)N(C)C(=O)C(=O)Nc1c(F)cccc1Br 163384731 QNCMBXLZMCZAHC-UHFFFAOYSA-N 317.158 2.394 0 40 DEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3ncccn3)C2)nn1 1888843287 WUUNUQOKKFJDRA-CYBMUJFWSA-N 313.405 2.469 0 40 DEAB COCCN1CC=CCC2(CCN(C3CCCC3)CC2)C1=O 2037834778 NDBHBKFDAYJWRN-UHFFFAOYSA-N 306.450 2.446 0 40 DEAB Cc1cccn2cc(CN3CCN(c4ccccn4)CC3)nc12 4593853 BAZAISJLGROBHI-UHFFFAOYSA-N 307.401 2.360 0 40 DEAB COc1cccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@@H]3C2=O)c1 101261242 HTKJKSDXDYLSMD-GJZGRUSLSA-N 322.324 2.193 0 40 DEAB Cc1cc(C)n(-c2ccc(NC3CCN(C4CC4)CC3)nn2)n1 73860923 BCCHEGOSYIGQLJ-UHFFFAOYSA-N 312.421 2.318 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@](O)(c1ccco1)C1CC1 75154889 HXMQMOPKRANIMV-GOSISDBHSA-N 315.369 2.381 0 40 DEAB COC(=O)[C@H](C)CN(C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 53118995 RJBNSKXUPDBAPK-SNVBAGLBSA-N 319.336 2.097 0 40 DEAB O=C(NCN1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 354494 QQPHAXAHRODKFG-UHFFFAOYSA-N 314.728 2.324 0 40 DEAB CC(C)C[C@H](OC(=O)c1ccco1)C(=O)NC[C@@H]1CCCO1 1381009 PUEJQRBGQSWHSV-JSGCOSHPSA-N 309.362 2.146 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(O)nn1 53636149 XTMXBXHAYHEPEK-UHFFFAOYSA-N 309.329 2.237 0 40 DEAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cn2)c1 47523140 NSDLQFZXWBXUGA-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB Cc1cc(Nc2cccc(C(=O)O)c2)nc(N2CCOCC2)n1 8702984 HENBWAXPBJRFCX-UHFFFAOYSA-N 314.345 2.063 0 40 DEAB O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCCO1 106850264 PZLFVVLCHITRFG-MLGOLLRUSA-N 324.371 2.224 0 40 DEAB COCCN1CC2(CCN(C[C@@H]3CC=CCC3)CC2)CC1=O 108526469 LNJXXQUOROCFAH-MRXNPFEDSA-N 306.450 2.304 0 40 DEAB CC(=O)N1CCCN(Cc2cc(F)cc3cccnc23)CC1 25931944 PIOOFIGXKPRAFH-UHFFFAOYSA-N 301.365 2.428 0 40 DEAB CCOc1cc(CNC(=O)NCCOC)ccc1OC(F)F 57412611 YXNMOBXLNPJLLM-UHFFFAOYSA-N 318.320 2.132 0 40 DEAB O=C(NCc1cccnc1)C(=O)Nc1ccccc1C(F)(F)F 9859810 ACACYZORFKUTLT-UHFFFAOYSA-N 323.274 2.355 0 40 DEAB Cc1cccn2cc(COC(=O)c3ccc(N(C)C)nc3)nc12 58016170 VSARVJOHHVKVPK-UHFFFAOYSA-N 310.357 2.461 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)CCOc1ccc(C(C)C)cc1 58283284 CPISENXRDURGRZ-ZDUSSCGKSA-N 306.406 2.220 0 40 DEAB C[C@@H](NC(=O)Nc1ccncc1)c1ccc(S(C)(=O)=O)cc1 44967221 ALYGTDQPLWMIOX-LLVKDONJSA-N 319.386 2.368 0 40 DEAB COc1ccc(CCC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1 44934424 WHYXJHTWPYWGGQ-LBPRGKRZSA-N 314.389 2.043 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1cccc(F)c1F 102747672 FQFWIQJZLHDLAJ-COPCRZHJSA-N 309.312 2.282 0 40 DEAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)cc1 100200739 FIXXLZVLJIPRFG-USJZOSNVSA-N 311.337 2.112 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCS[C@H]2COCC[C@@H]21 95427395 ZBYBZTPSMVTWRU-STQMWFEESA-N 321.377 2.049 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3cnc4ccccc4c3)nn12 12792608 JHJXZIMBYYXFII-UHFFFAOYSA-N 304.313 2.233 0 40 DEAB Clc1ccccc1N1CCN(c2ncnc3[nH]ncc23)CC1 11856453 FWDKFLKVXJUIKS-UHFFFAOYSA-N 314.780 2.333 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 95437812 GYLDSTDDNJOCBZ-BRWVUGGUSA-N 303.402 2.332 0 40 DEAB CCOC(=O)C1CCN(C(=O)COc2ccc(F)cc2)CC1 3331458 XVRJCQVNCZSJCB-UHFFFAOYSA-N 309.337 2.006 0 40 DEAB C[C@H]1C[C@H]1C(=O)OCC(=O)NC(=O)c1ccc(C(C)(C)C)cc1 3410360 FQPQBYQPTGBKAM-SMDDNHRTSA-N 317.385 2.440 0 40 DEAB COc1ccc2c(I)c(C(=O)O)[nH]c2c1 62709380 UISUJTUUQZJGOB-UHFFFAOYSA-N 317.082 2.479 0 40 DEAB in-vitro CN(Cc1nnc(C2CC2)n1C)C(=O)[C@@H]1C[C@H]1c1ccccc1 73253102 NHIWFIVNQOBFEE-LSDHHAIUSA-N 310.401 2.455 0 40 DEAB CCO[C@H](C)C(=O)NCC1CCN(Cc2ccccc2)CC1 63112746 RGJMKXMVLSQMCQ-OAHLLOKOSA-N 304.434 2.440 0 40 DEAB NC(=O)C(=O)c1cn(CCOc2ccccc2)c2ccccc12 9192592 QSXJLXFEVDDVSP-UHFFFAOYSA-N 308.337 2.388 0 40 DEAB COc1ccc(NC(=S)NC2CCN(C)CC2)cc1OC 13775576 XNFALLVGMAUJBK-UHFFFAOYSA-N 309.435 2.084 0 40 DEAB C[C@@H](CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 96010156 NTHBSMVDEOHDJH-QMMMGPOBSA-N 301.177 2.045 0 40 DEAB NS(=O)(=O)c1cccnc1Nc1ccc(F)c(Cl)c1 65183170 ANUAWIYLDFWEEO-UHFFFAOYSA-N 301.730 2.265 0 40 DEAB Cc1csc(CNC(=O)N2CCC[C@H](N3CCCC3)C2)n1 65437741 YJAREXOLJSQXJG-ZDUSSCGKSA-N 308.451 2.221 0 40 DEAB Cc1cnc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)s1 14181694 AQSOQFINQXDSLP-SNVBAGLBSA-N 317.370 2.204 0 40 DEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1ccc2c(c1)CCC2 14102481 FSPDCAVYVYDXPK-UHFFFAOYSA-N 320.458 2.080 0 40 DEAB COc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1O 4681586 HOBKRGISTAYLJG-WDZFZDKYSA-N 307.331 2.045 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)C(Cl)(Cl)Cl)C1 5592308 GSOIICVLPSMMHH-SSDOTTSWSA-N 302.585 2.158 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NC[C@H]1CCCO1 67125271 PUXILKTUHUGBGX-CHWSQXEVSA-N 312.410 2.071 0 40 DEAB CCS[C@@H]1CCC[C@H]1NC(=O)CNC(=O)c1cccs1 96450454 OVCNDUXZYBIOJY-GHMZBOCLSA-N 312.460 2.268 0 40 DEAB Cc1noc(C)c1C(=O)O[C@H](C(=O)NC1CC1)c1ccccc1 7184032 CGEDEURKAOKTHL-HNNXBMFYSA-N 314.341 2.468 0 40 DEAB CC1CCC(N(C(=O)[C@H]2CCCN(C(N)=O)C2)C2CC2)CC1 68258790 VZISCYJVMTXUMJ-MOKVOYLWSA-N 307.438 2.347 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N[C@@H]1CCC[C@H]1CO 73751560 LMDNGRPPXGPDNR-GXFFZTMASA-N 312.797 2.309 0 40 DEAB CCNC(=O)COc1cccc(N[C@@H](C)c2nnc(C)o2)c1 71902467 IJUILXBRBWMBMY-JTQLQIEISA-N 304.350 2.066 0 40 DEAB CCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 8195566 FUQMIFJTMKBERV-UHFFFAOYSA-N 320.374 2.024 0 40 DEAB Cc1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1 8388700 PFVGHMMPXITUJE-UHFFFAOYSA-N 303.362 2.044 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCCC[C@H]1C 69490955 IUAGDVMVMBAHJA-CHWSQXEVSA-N 321.396 2.414 0 40 DEAB COc1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c1 69580899 OIROEAQQQIWHSZ-CQSZACIVSA-N 322.430 2.077 0 40 DEAB C[C@@H]([C@@H](C)NCc1csc(-c2cnn(C)c2)n1)n1cccn1 69659380 DLPYLZAAXNAPSD-NEPJUHHUSA-N 316.434 2.479 0 40 DEAB CC(=O)c1ccc(OC(C)C)c(Cc2c(O)nc(N)nc2O)c1 8576600 RVMGQMNZHRXHPE-UHFFFAOYSA-N 317.345 2.051 0 40 DEAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccccn3)ccc12 8578301 LBCYLKQMVUMYRW-UHFFFAOYSA-N 324.336 2.192 0 40 DEAB biogenic C[C@@]1(O)CCN(C(=O)Cc2cccnc2)C[C@@H]1Cc1ccccc1 72162164 ABYJBMZIGFCHPG-AZUAARDMSA-N 324.424 2.466 0 40 DEAB COC(=O)c1cc(CNC(=O)c2ccccc2O)ccc1OC 9836406 FNIUPVRFZFMCNZ-UHFFFAOYSA-N 315.325 2.117 0 40 DEAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@@H]1CC1(Cl)Cl 97110101 GXHRTJBXTKHVEQ-JTQLQIEISA-N 311.172 2.077 0 40 DEAB COC(=O)c1cccc(CN[C@@]2(CO)CCc3ccccc32)c1 89406924 KEGIUYMBVYYOBL-LJQANCHMSA-N 311.381 2.397 0 40 DEAB CCS(=O)(=O)NC[C@H](C)Oc1ccccc1Br 75094166 QPTGVRDZTVHBEF-VIFPVBQESA-N 322.224 2.156 0 40 DEAB O=C(NCc1csc(=O)[nH]1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 89508360 BGYNDXXWZNNTRZ-VHSXEESVSA-N 310.325 2.135 0 40 DEAB COc1ccc(C(=O)O)cc1NC(=S)NC(=O)CC(C)C 20468461 AIVWCTAEVXBAPO-UHFFFAOYSA-N 310.375 2.253 0 40 DEAB O=C(CCCNC(=O)C1CC1)NCCc1ccc(Cl)cc1 32657933 UBMLSHHZLYQTBK-UHFFFAOYSA-N 308.809 2.305 0 40 DEAB Cn1ccc(NC(=O)[C@@H]2CC(c3c(F)cccc3Cl)=NO2)n1 36615375 PLKWNIQNCRMISW-NSHDSACASA-N 322.727 2.344 0 40 DEAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1nnc[nH]1 72414438 IOQYHJMLNYBIIB-UHFFFAOYSA-N 310.379 2.046 0 40 DEAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CN)n2)s1 72382974 STLQNMQOLVOGNW-LBPRGKRZSA-N 317.418 2.212 0 40 DEAB O=C(NCCc1cccc(O)c1)C(=O)Nc1ccc2c(c1)CCC2 77833840 YJVXTGRKCWFJIC-UHFFFAOYSA-N 324.380 2.178 0 40 DEAB Cc1noc(OCCOc2ccc3c(C)cc(=O)oc3c2)n1 77491614 JOBDNZXZVBVKJC-UHFFFAOYSA-N 302.286 2.251 0 40 DEAB Cn1c(=O)n(C)c2cc(/C=C3\C(=O)Nc4ccccc43)ccc21 40267464 CTSKKPBTDJMCTN-LCYFTJDESA-N 305.337 2.370 0 40 DEAB CC[C@H](C)n1ncc(C(=O)NCC2(O)CCOCC2)c1C1CC1 89840706 WJEJYCPREWHOQF-LBPRGKRZSA-N 321.421 2.003 0 40 DEAB CCOC(=O)c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 85385735 WSHLYJWPIZRLTO-UHFFFAOYSA-N 324.381 2.096 0 40 DEAB CC1CCN(C(=O)c2cccc(N3C(=O)CCC3=O)c2)CC1 49910249 UYOQACFMRCJNKU-UHFFFAOYSA-N 300.358 2.212 0 40 DEAB CN(C)C(=O)[C@]1(C)CC(c2cnc(-c3ccccc3)nc2)=NO1 226082944 FKCRSSYSUGAHRV-KRWDZBQOSA-N 310.357 2.115 0 40 DEAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCC[C@H](n2cncn2)C1 571097222 QBMWKPFRTOQJJB-UONOGXRCSA-N 320.780 2.394 0 40 DEAB CCOCCCNC(=O)[C@@]1(C)Sc2ccccc2N(C)C1=O 40774520 CQGQUTPKSKLIAW-MRXNPFEDSA-N 322.430 2.057 0 40 DEAB COc1ccccc1CCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1 225517243 UMXJVOIZGLNCIW-AWEZNQCLSA-N 313.401 2.191 0 40 DEAB O=C(Nc1ncccn1)c1ccnc(O[C@H]2CCSC2)c1 225721325 PXIQWZDWRPZAKN-NSHDSACASA-N 302.359 2.008 0 40 DEAB CC(C)C[C@@H](C(=O)NCc1nnc2ccccn12)n1cccc1 575443359 VLVCKKXQHQLOIN-AWEZNQCLSA-N 311.389 2.434 0 40 DEAB C[C@@H](Cn1ncc2ccccc2c1=O)NC1CCSCC1 90938558 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O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C[C@H]2CCOC2)CC1 245289697 DMOBZOAUYMWGLK-YVSFHVDLSA-N 320.477 2.430 0 40 DEAB O=C(CCc1ccccc1)N1CC[C@H](O)[C@@H](n2ccnc2)CC1 257295552 QYVFHLDNBZASOV-IRXDYDNUSA-N 313.401 2.040 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)Nc2ccccc2F)cc1 347633316 TXYRPSLLTUNWHU-UHFFFAOYSA-N 316.332 2.479 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478268 KDXHXIQYXJAXSM-BMFAXAFESA-N 324.509 2.216 0 40 DEAB Cc1cc(NCCNC(=O)c2ccco2)nc(-c2ccccn2)n1 69349975 JUXMNSXFLYZJQU-UHFFFAOYSA-N 323.356 2.282 0 40 DEAB COc1ccc2nc(C)c(C(=O)N3CCO[C@@H](C)C3)cc2c1 29790389 UBTPLDXWHFAABM-NSHDSACASA-N 300.358 2.413 0 40 DEAB C[C@@H](C(=O)Nc1ccc(OCC(F)(F)F)nc1)n1cccn1 44940830 FOZQRBFZODBJDK-VIFPVBQESA-N 314.267 2.419 0 40 DEAB CCn1cc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cn1 44935663 XUQPFTNQQASZCT-CYBMUJFWSA-N 308.769 2.412 0 40 DEAB CNC(=O)Cc1noc(CS[C@@H](C)c2cccc(F)c2)n1 95408386 AXZVUCHOFMUHCK-VIFPVBQESA-N 309.366 2.492 0 40 DEAB CS[C@@H](CO)[C@H](C)NC(=O)Cc1ccccc1C(F)(F)F 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Cc1noc(C)c1CC(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390829059 WIUKKHMWKGVQDF-CQSZACIVSA-N 318.377 2.238 0 40 DEAB CCOc1ccc(OCCn2nnc3ccccc3c2=O)cc1 3360639 CSFWCRQWVYSUCN-UHFFFAOYSA-N 311.341 2.269 0 40 DEAB CC(C)(C)c1ccc(N2CCC[C@@H](NC(=O)C3CC3)C2)nn1 1889070226 DGMJDKVHTIRVGD-CYBMUJFWSA-N 302.422 2.269 0 40 DEAB C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(F)cc1F 26881398 MQZLRCPCCLEDSA-SECBINFHSA-N 301.314 2.467 0 40 DEAB Cc1nnsc1C(=O)NCCOc1cccc2cccnc12 44455791 OABUEBPUSXJHJI-UHFFFAOYSA-N 314.370 2.204 0 40 DEAB Cc1ccc(-n2cc(C(=O)N3CCSCC3)nn2)cc1C 23127111 YJYNVHZESJWRRR-UHFFFAOYSA-N 302.403 2.073 0 40 DEAB CC(=O)N[C@H](C)C(=O)N[C@@H](C)c1ccc(C(F)(F)F)cc1 30116512 GRKPLPJSNXLUPC-DTWKUNHWSA-N 302.296 2.407 0 40 DEAB CN(C)c1ccc(C(=O)NCCCN2CCCCCC2=O)cc1 40462724 NBJCRBHTSSRUGZ-UHFFFAOYSA-N 317.433 2.275 0 40 DEAB Cc1noc(-c2ccc(C(=O)NCCN3CCCCC3)cc2)n1 40535699 VVBRLDOIPCSEIK-UHFFFAOYSA-N 314.389 2.261 0 40 DEAB O=C(Nc1cn[nH]c1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 40512155 BXEWXWMZKJZCRX-VIFPVBQESA-N 304.737 2.055 0 40 DEAB O=C1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)c2ccccc2N1 21892819 BLCOESFZYCSFEB-SNVBAGLBSA-N 314.370 2.480 0 40 DEAB CCS(=O)(=O)Nc1nn(Cc2ccccc2F)cc1Cl 2804490 OOCUVKNCZKBYJL-UHFFFAOYSA-N 317.773 2.486 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccccn1 47302422 BQCHQFYAKLBITN-UHFFFAOYSA-N 311.370 2.234 0 40 DEAB COc1ccccc1CNC(=O)c1nc(-c2cccnc2)no1 12409386 FPSOAYIXXGSGME-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB CC(C)c1n[nH]c([C@H]2CN(C(=O)c3ccsc3)CCO2)n1 78889330 PLADZDSCLLQEQW-LLVKDONJSA-N 306.391 2.203 0 40 DEAB Cc1cc(NC(=O)NCc2nncn2C)ccc1OC(C)C 78937857 MSTFJNICPMOPRG-UHFFFAOYSA-N 303.366 2.232 0 40 DEAB CCN(Cc1ccc2c(c1)OCO2)Cc1ccn(C)c(=O)c1 42112692 QIVJRBFJIVNTKQ-UHFFFAOYSA-N 300.358 2.136 0 40 DEAB CCCC(=O)NCc1nc(-c2ccc(OC)c(OC)c2)no1 4998159 BIFIVEHGGYYCLA-UHFFFAOYSA-N 305.334 2.170 0 40 DEAB Cc1cc(C)cc(OC[C@H](O)Cn2ncc3ccccc3c2=O)c1 42756009 OYQKLUKDKMTSGV-MRXNPFEDSA-N 324.380 2.453 0 40 DEAB Cc1nn(C[C@H](O)COc2ccccc2)c(=O)c2ccccc12 42755743 RTMYKGMFEBPVAF-AWEZNQCLSA-N 310.353 2.145 0 40 DEAB CCc1cccc(C)c1-n1nnnc1C(C)(C)N1CCOCC1 19229038 ROZMDQXDFUHKBD-UHFFFAOYSA-N 315.421 2.100 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NCc2cscn2)cc1 97113266 ADELKBQYGFKNPQ-LBPRGKRZSA-N 310.444 2.404 0 40 DEAB CCc1ccc2nc(CC(=O)NCc3ccccc3)[nH]c(=O)c2c1 57772173 LSRJSCVLEWYDAD-UHFFFAOYSA-N 321.380 2.344 0 40 DEAB CCCn1nc(C(=O)NCc2ccc(C)c(F)c2)ccc1=O 27024457 GGKCPZLNEAPPFP-UHFFFAOYSA-N 303.337 2.031 0 40 DEAB Cc1cc(C)c(NC(=O)CN2CCC[C@@H]2C(=O)N(C)C)c(C)c1 27565854 MUPUQCPVNFFYTK-OAHLLOKOSA-N 317.433 2.103 0 40 DEAB CO[C@H]1CC[C@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 110693803 GYLDSTDDNJOCBZ-GVDBMIGSSA-N 303.402 2.332 0 40 DEAB CC1=C(C(=O)Nc2nnc(C(F)F)s2)C(=O)OC1(C)C 58245072 WUZYSAGXGZRVMV-UHFFFAOYSA-N 303.290 2.066 0 40 DEAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCC[C@@H](O)C1 44952290 GOGOJKDSGYUSMX-SNVBAGLBSA-N 319.283 2.011 0 40 DEAB CC(=O)N1CCC(NC(=O)c2cc(Cl)c(Cl)n2C)CC1 44914930 TUSRRBLDFXMBKT-UHFFFAOYSA-N 318.204 2.073 0 40 DEAB Cc1nn(C)c(Cl)c1Cn1ncc(Cl)c(Cl)c1=O 72271953 ATRHWRBTMOLADQ-UHFFFAOYSA-N 307.568 2.294 0 40 DEAB CCN(C(=O)c1oc2ccccc2c1C)[C@@H]1CCS(=O)(=O)C1 12783663 WPZQSMKMFWLDOF-GFCCVEGCSA-N 321.398 2.390 0 40 DEAB CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H]2OCc1ccccn1 107266033 YSZIJNHBPGOZNQ-KBMXLJTQSA-N 324.446 2.191 0 40 DEAB O=C(COCc1ccccc1)Nc1ccc2c(c1)NC(=O)CO2 69372294 COKRCIDGDXQDCP-UHFFFAOYSA-N 312.325 2.173 0 40 DEAB C[C@@H](NC(=O)N1CCN(Cc2ccsc2)CC1)[C@H]1CCCO1 45683600 OWZPLHUPQIENDK-UKRRQHHQSA-N 323.462 2.143 0 40 DEAB Cc1cccc(CNC(=O)CCN2C(=O)COc3ccccc32)c1 12931992 XBKXCHAARMOKPR-UHFFFAOYSA-N 324.380 2.427 0 40 DEAB CCOC(=O)N1CCC(NC(=O)NCc2ccccc2)CC1 13012634 YJTSLYDPMZECSI-UHFFFAOYSA-N 305.378 2.107 0 40 DEAB CCONC(=O)c1cccc(-n2cc(Br)cn2)c1 49398522 CJXTUSBNGNAKFZ-UHFFFAOYSA-N 310.151 2.316 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccccc3)N2)cc1 9192413 CZYKKXYLAGRQFX-HNNXBMFYSA-N 322.368 2.290 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 72235357 QDYGBDHWCFCZTB-CYBMUJFWSA-N 319.434 2.446 0 40 DEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)c3ccco3)C2=O)cc1 14163723 AKMCMUFTLOUSFX-QGZVFWFLSA-N 312.325 2.238 0 40 DEAB COc1ccc(S(=O)(=O)Nc2cccc(CC(=O)O)c2)cc1 72295200 JBEVXCLFKHXAQK-UHFFFAOYSA-N 321.354 2.123 0 40 DEAB Cc1ccc(CNC(=O)CNC(=O)c2ccsc2)cc1F 65626098 OCMWIZYZLGNDCZ-UHFFFAOYSA-N 306.362 2.242 0 40 DEAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCCN(C)C(C)C)c1 65612291 CCJJMFIRDQBXDN-CYBMUJFWSA-N 320.437 2.345 0 40 DEAB COC[C@@H]1CN(Cc2cc(O)ccc2Br)CCO1 93529257 VAXZIMFDQFWZBS-LBPRGKRZSA-N 316.195 2.002 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)N3CCCCCC3)C2)no1 72284678 HZUXPSCLEYQOGK-DZGCQCFKSA-N 320.437 2.349 0 40 DEAB COc1cccc(C(=O)NCCc2ccn(-c3ccccc3)n2)n1 84091234 XJVWBAXRMMDZKU-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB CCC[C@H](C)NC(=O)COC(=O)c1cc2ccccc2oc1=O 5937764 CPIOMKODLLUBML-NSHDSACASA-N 317.341 2.255 0 40 DEAB C/C(=C\C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C)c1ccc(F)cc1 96256217 CMKRSSHNHFAWGA-ZFYXDYSTSA-N 304.365 2.341 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)COc1ccc2ccccc2c1 7627280 AKYWEZSLDPCUIX-ZDUSSCGKSA-N 314.385 2.250 0 40 DEAB CC(C)[C@H](C(=O)N1CC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 71793032 KDRNUVGKZVBUFY-JSGCOSHPSA-N 308.809 2.413 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@H](n2ccnc2)C1 71796457 FJZSMBDTTPCMCC-RISCZKNCSA-N 302.378 2.455 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1 16453686 GBTKBMVINJWJEV-SNVBAGLBSA-N 321.406 2.382 0 40 DEAB CC[C@@H]1CCC[C@@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)C1 96419960 RAPHELIRNHWULQ-YNEHKIRRSA-N 304.456 2.030 0 40 DEAB Cc1ccc(-c2csc(NC(=O)c3ccc(=O)n(C)n3)n2)o1 9502694 FPJXOQUSUFFAQW-UHFFFAOYSA-N 316.342 2.058 0 40 DEAB COc1ncccc1NC(=O)N[C@@H](C)COCC(F)(F)F 69369627 FJCBIINPKIDUFF-QMMMGPOBSA-N 307.272 2.179 0 40 DEAB CCc1nnc(CN(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)o1 69492641 MXZCCLHIWAXCCN-NSHDSACASA-N 323.418 2.229 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)nc1 69455044 AJDNYDZSRADMKF-HOTGVXAUSA-N 314.433 2.355 0 40 DEAB COc1ccc(CNC[C@@H]2CCCN2c2cccnn2)cc1F 71859832 KCCGFHCLDCKNCG-AWEZNQCLSA-N 316.380 2.383 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccc(C)s1)C2 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303.337 2.466 0 40 DEAB CN1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 82315035 UTKAGLPXHIMREX-AWEZNQCLSA-N 321.852 2.330 0 40 DEAB CCCN(CC(=O)OCC)C(=O)[C@@H](C)n1cnc2ccccc21 97497328 TYYMASGPZBEULQ-CYBMUJFWSA-N 317.389 2.399 0 40 DEAB CCN1CCC(NC(=O)Cc2c(Cl)cccc2OC)CC1 97378806 RKBRAQZUXDSRKP-UHFFFAOYSA-N 310.825 2.492 0 40 DEAB CC(=O)N1CCc2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc21 96406672 PMCAFTHXGWTXKY-LBPRGKRZSA-N 322.430 2.159 0 40 DEAB O=C(c1ccccc1F)N1CCC(Oc2cccnn2)CC1 96096920 JJEOPWQQTYBSJC-UHFFFAOYSA-N 301.321 2.299 0 40 DEAB CC(C)OCc1nn(C)c2c1CCN(Cc1ccccn1)C2 96058974 VTJJXEBXDHKOKZ-UHFFFAOYSA-N 300.406 2.298 0 40 DEAB CN1CCc2c(nnn2CC2CC2)[C@@H]1COCc1ccccc1 96045426 ZGFNRMUKTXTLHG-KRWDZBQOSA-N 312.417 2.434 0 40 DEAB CC(C)NC(=O)N1CCC[C@@]2(C[C@H](Nc3nccs3)CO2)C1 96223373 PCZLUJIBESCDCX-SWLSCSKDSA-N 324.450 2.297 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@@H]1NCCCc1cc(F)cc(F)c1 96491752 IESAKJYTCBADTM-LSDHHAIUSA-N 317.401 2.453 0 40 DEAB Cc1cccc(C)c1CNc1cccc(C(=O)NCC(N)=O)c1 91063895 LDLRQANWCRYUQE-UHFFFAOYSA-N 311.385 2.131 0 40 DEAB CN(C)Cc1cncc2c1CCN(C(=O)Cc1ccsc1)C2 248105553 IOTPVDPGWUYDPG-UHFFFAOYSA-N 315.442 2.332 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)n1 257248483 JDVVFHIXKZNJQE-ZDUSSCGKSA-N 307.357 2.291 0 40 DEAB O=C(N[C@H]1CCn2nccc2C1)c1ccc(-n2cccc2)cc1 253473141 RSNWGDIPDMPVKX-HNNXBMFYSA-N 306.369 2.419 0 40 DEAB Cc1cc([C@H]2CCCCN2C(=O)c2cnn(C)c2)nc2ccnn12 257226315 FKDCUHXLZZJNLD-OAHLLOKOSA-N 324.388 2.139 0 40 DEAB CCN1CCC[C@H](Cc2cc(Nc3nncs3)ncn2)C1 257318001 VMCAHCNLNXXFPT-LLVKDONJSA-N 304.423 2.346 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)c2ncoc2C)nc(C)n1 257298665 RMUSVOFSUAYGJK-LBPRGKRZSA-N 301.350 2.100 0 40 DEAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2[nH]ncc2C)C1 257231963 GIVMAGLODBWINU-CQSZACIVSA-N 315.421 2.273 0 40 DEAB CO[C@](C)(CNS(=O)(=O)c1cccnc1)c1ccccc1F 96123565 NDJVEIUEFGXCQN-OAHLLOKOSA-N 324.377 2.061 0 40 DEAB CC(C)n1nccc1C(=O)N1CCc2ccccc2[C@H]1C(=O)O 663146492 DEYYJOXFSMBKKE-HNNXBMFYSA-N 313.357 2.288 0 40 DEAB Cn1nc2c(cc1=O)CN(CCc1ccccc1Cl)CC2 72302413 RRAWTQWISZJMHV-UHFFFAOYSA-N 303.793 2.035 0 40 DEAB Cc1ccoc1C(=O)N1CCN(Cc2c(C)noc2C)CC1 46660705 ZUSFQLPWVXMOQL-UHFFFAOYSA-N 303.362 2.151 0 40 DEAB C[C@H](CCc1ccccc1)NC(=O)N(C)CC(=O)N1CCCC1 53513049 QFBBKVCKHGPRLO-OAHLLOKOSA-N 317.433 2.272 0 40 DEAB CCC(C)(C)NC(=O)CN1CCN(c2ccccc2F)CC1 57355003 RDKKJWCWDRJZIJ-UHFFFAOYSA-N 307.413 2.253 0 40 DEAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2 12113642 IMCSNWIRDHOPFG-UHFFFAOYSA-N 323.414 2.145 0 40 DEAB C[C@@H](Cn1nnc2ccccc21)NC(=O)Cc1cccs1 12145017 LUQQUXQPZSWGGX-NSHDSACASA-N 300.387 2.240 0 40 DEAB C[C@@H](C(=O)Nc1cccc(-n2cn[nH]c2=O)c1)c1ccccc1 166563062 AWDARCQAVVPXLX-GFCCVEGCSA-N 308.341 2.303 0 40 DEAB COc1ccc(CCNC(=O)c2n[nH]cc2Br)cc1 28236666 GSIMERWBOOSEIT-UHFFFAOYSA-N 324.178 2.153 0 40 DEAB O=C(NCc1ccco1)N[C@@H]1CC(=O)N(c2cccc(F)c2)C1 4373827 DFVZKKPFYFQVCF-GFCCVEGCSA-N 317.320 2.023 0 40 DEAB CC(=O)N1CCC[C@H](c2nnc(-c3ccc4c(c3)OCO4)o2)C1 35596891 PYDZFGWJAOXBDC-LBPRGKRZSA-N 315.329 2.191 0 40 DEAB Cc1ccc(/C=C/S(=O)(=O)N2CC(c3nc(C)no3)C2)cc1 49482257 MEONZQMRQSPNPZ-BQYQJAHWSA-N 319.386 2.086 0 40 DEAB CC(C)N1C[C@@H](C(=O)Nc2nc3c(s2)C[C@@H](C)CC3)CC1=O 40073762 RPGSMAVUNWVYSA-QWRGUYRKSA-N 321.446 2.463 0 40 DEAB COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1O 27922 OUKLOIYJTOCKIT-OQLLNIDSSA-N 324.361 2.171 0 40 DEAB CN(C)c1nc(N)nc(COc2cccc(Cl)c2Cl)n1 31680878 MCBFMJVZLBPHCB-UHFFFAOYSA-N 314.176 2.406 0 40 DEAB CCCOc1cccc(C(=O)NCCc2nnc3ccccn23)c1 40549811 WHEUKGZEDMEXEI-UHFFFAOYSA-N 324.384 2.491 0 40 DEAB Cc1nc(C)c2c(C)c(C(=O)NC[C@H]3CCOC3)sc2n1 40514285 XVHUCUKJSBYBQT-LLVKDONJSA-N 305.403 2.383 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N(C)Cc1cnn(C)c1 32406393 JUCDMSDEHWAESU-UHFFFAOYSA-N 313.810 2.203 0 40 DEAB Cc1ccccc1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 32892002 GXTGIPRKCBKRAY-UHFFFAOYSA-N 308.337 2.402 0 40 DEAB O=C1CSCN1CC(=O)N1CCCSc2ccccc21 32897317 VSGFFYVHRJTFQR-UHFFFAOYSA-N 308.428 2.048 0 40 DEAB CC(C)N1C[C@H](C(=O)NCCSCc2ccccc2)CC1=O 32816316 DPGSLYLGFXVADG-OAHLLOKOSA-N 320.458 2.293 0 40 DEAB O=c1[nH]c(NC[C@@H]2COc3ccccc3O2)nc2ccccc12 41603931 FCYJWWKSDQBOFH-LLVKDONJSA-N 309.325 2.175 0 40 DEAB COc1ccc(C(=O)NN2C(=O)CS[C@H]2c2ccco2)cc1 96939 ZEACUHCHQRAPMO-HNNXBMFYSA-N 318.354 2.207 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccc(F)cc1 204222 KHGZKIMUQLITFB-YLFCFFPRSA-N 306.333 2.044 0 40 DEAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccco3)n2C)C1 413224 XWFGVSNJOIESCX-LLVKDONJSA-N 320.418 2.426 0 40 DEAB CCCC[C@H](CC)COC[C@@H](O)Cn1cnc2c(N)ncnc21 1584935 XARHGWKYPBNCAF-STQMWFEESA-N 321.425 2.002 0 40 DEAB CC(C)n1cc(S(=O)(=O)Nc2cc(Cl)ccn2)cn1 79072077 QOQOBYKZDXAQBQ-UHFFFAOYSA-N 300.771 2.313 0 40 DEAB CCNC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 79101869 UUAMPYXXMIQLRI-AWEZNQCLSA-N 305.422 2.206 0 40 DEAB O=C(NCc1ccc(Cl)nc1)N[C@H]1c2ccccc2C[C@@H]1O 79596649 WZELGBFWEQRHFF-ZFWWWQNUSA-N 317.776 2.193 0 40 DEAB O=C(CSc1nccn1C1CC1)N1CCO[C@@H]2CCCC[C@@H]21 53717122 OLPVDWWQMMMWBY-UONOGXRCSA-N 321.446 2.480 0 40 DEAB COC(=O)c1cc(CNC(=O)c2ccc(C)nc2)ccc1OC 23038468 RFYRXRZMMZXKPA-UHFFFAOYSA-N 314.341 2.115 0 40 DEAB OCCNc1nc(Cl)nc(NCc2ccc(Cl)cc2)n1 4560026 YLGKBOBEUQDIFY-UHFFFAOYSA-N 314.176 2.195 0 40 DEAB CCOCCCNC(=O)CCc1nc(-c2cccs2)no1 52539200 LNCMBTAYWBNDDB-UHFFFAOYSA-N 309.391 2.274 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)CCCc1nc2ccccc2[nH]1 47470751 WCKPRAUQKFDOEX-CQSZACIVSA-N 314.433 2.486 0 40 DEAB CSc1nc(C)c(CCC(=O)Nc2cccc(C)n2)c(=O)[nH]1 55382141 YGCFDOQBQMCYRQ-UHFFFAOYSA-N 318.402 2.075 0 40 DEAB C[C@@H]1C[C@H](N2CCN([C@H](C)c3ccc(F)cc3F)CC2)C(=O)O1 106656184 JKZDBKJZIIOIOH-HSMVNMDESA-N 324.371 2.347 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)n1 56131260 METUFZXVLIGPJI-NSHDSACASA-N 316.361 2.265 0 40 DEAB COCCNC(=O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 48055675 ZDMBZNGYRXATPH-WFASDCNBSA-N 306.406 2.130 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CC1=O 44370299 XVJLJLIIFSTABA-HZPDHXFCSA-N 300.402 2.089 0 40 DEAB CC(C)n1c(S)nnc1CNC(=O)CSC(C)(C)C 108900146 AXLBHNHFJOJIMT-UHFFFAOYSA-N 302.469 2.296 0 40 DEAB COc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 3217280 DTWRDIQSXRTXGQ-UHFFFAOYSA-N 305.355 2.481 0 40 DEAB CS(=O)(=O)c1ccc(-c2nc3ccsc3c(=O)[nH]2)cc1 44978346 QZJNGPYRKFVMSI-UHFFFAOYSA-N 306.368 2.055 0 40 DEAB Cc1nnc(NC(=O)NCc2ccc(OC(C)C)nc2)s1 44970363 AJMIWCNKWWYNBJ-UHFFFAOYSA-N 307.379 2.350 0 40 DEAB CCOCCNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 58357380 AYLIUUGYQKOAMG-HNNXBMFYSA-N 308.397 2.190 0 40 DEAB CCOC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2F)on1 58364387 CMEFFCOCWBCOJM-SECBINFHSA-N 306.293 2.162 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)COc1cccc(F)c1 58412730 FFVASOLULWLDLG-GFCCVEGCSA-N 320.412 2.491 0 40 DEAB O=C(NCCc1nc[nH]n1)C1(c2ccc(Cl)cc2)CCC1 84393149 IOXZSZZNOXDNQF-UHFFFAOYSA-N 304.781 2.239 0 40 DEAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@H](O)c3ccccc3)C2=O)cc1 11377338 MJUDWDYDLJZEMB-QFBILLFUSA-N 324.380 2.496 0 40 DEAB Cc1cccc(C)c1OCC(=O)NCCc1nnc2ccccn12 11545665 HGIZSPWCXBIRSX-UHFFFAOYSA-N 324.384 2.084 0 40 DEAB O=C(CN1CCCCCC1=O)Nc1ccc(-c2cc[nH]n2)cc1 29279496 GYRDIHPJXCULOW-UHFFFAOYSA-N 312.373 2.418 0 40 DEAB C[C@H](NC(=O)[C@@H](C)n1cccn1)c1ccc2c(c1)CCC(=O)N2 45985604 WIGLFFMOIWVAHR-NWDGAFQWSA-N 312.373 2.206 0 40 DEAB CN(C)c1cccc(C(=O)OCC(=O)N2CCCCCC2)c1 3318822 HMNRCGCEFLOQEH-UHFFFAOYSA-N 304.390 2.312 0 40 DEAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CO 95349466 OEODQADGULEFNY-JTQLQIEISA-N 307.781 2.004 0 40 DEAB COCCn1c(SCC(=O)NC2CC2)nc2ccccc21 3499247 OZWZZRBSBFIFFP-UHFFFAOYSA-N 305.403 2.053 0 40 DEAB O=C(COC(=O)c1ccccn1)N[C@H]1CCCc2ccccc21 3507478 JTHBNFIMKMNGNY-HNNXBMFYSA-N 310.353 2.432 0 40 DEAB CCc1nnc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)s1 8973094 BKIOWLGZEDQJTL-UHFFFAOYSA-N 315.358 2.449 0 40 DEAB CCC12CN3CC(CC)(CN(C1)C3[C@H]1CCOC(C)(C)C1)C2O 19331462 CJWKUPIDTJTICU-PYVPHKGKSA-N 322.493 2.316 0 40 DEAB biogenic O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCSCC1 49214584 PFOUOKNPSVGSPY-ZDUSSCGKSA-N 304.415 2.153 0 40 DEAB O=C(Cc1ccc(Cl)cc1)NCCCNC(=O)c1ccco1 5015407 RHFOUSIDUXBFPY-UHFFFAOYSA-N 320.776 2.412 0 40 DEAB CCN1CCC(NC(=S)Nc2ccc(OC)c(OC)c2)CC1 13775669 OYAAPRGFIHLSMX-UHFFFAOYSA-N 323.462 2.475 0 40 DEAB Cc1n[nH]cc1CNC[C@H](C)N1CCN(c2ccccc2)CC1 65463798 RSHVYYZWGFIBNC-HNNXBMFYSA-N 313.449 2.018 0 40 DEAB Nc1nccnc1C(=O)OCc1cccc(Br)c1 14059818 VFSGXGPTFRAXFN-UHFFFAOYSA-N 308.135 2.178 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N1C[C@@H](C(N)=O)CC[C@@H]1C 65522807 SSOFCKCMZSSJMV-GGBPEREOSA-N 316.401 2.211 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](NC(C)=O)C(C)C)c1 14201247 KLHYDYWQJOTZIV-BDJLRTHQSA-N 322.405 2.042 0 40 DEAB COCCn1cc(C(=O)Nc2c[nH]ccc2=O)c2ccccc21 66045763 RZJYUXWWZMRNFL-UHFFFAOYSA-N 311.341 2.228 0 40 DEAB COc1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1 4680799 UBXOPBDCYCLHBP-UHFFFAOYSA-N 319.382 2.249 0 40 DEAB COc1cc2cc(C(=O)Nc3ccn(C)n3)n(C)c2cc1OC 96116915 UPGQKEULBUURNZ-UHFFFAOYSA-N 314.345 2.181 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O 4704662 MYXKGTCEVSJOIL-XYOKQWHBSA-N 321.354 2.295 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCc2ccccn2)c1C 9322856 VQSRTCHOGHVVDW-UHFFFAOYSA-N 315.373 2.176 0 40 DEAB Cc1ccc([C@H](OC[C@H](O)CNCCO)c2ccccc2)cc1 6936160 AFNARYZLVYNTOL-RTBURBONSA-N 315.413 2.044 0 40 DEAB COc1ccc(C2(NC(=O)[C@@H]3CC(=O)N(C)C3)CCCC2)cc1 67727390 XVBFPGZWWVSSMP-CYBMUJFWSA-N 316.401 2.059 0 40 DEAB CC1=Nn2c(nnc2-c2cnn(-c3ccccc3)c2N)SC1 19897503 LGSNATPQUUVMBE-UHFFFAOYSA-N 311.374 2.043 0 40 DEAB Cc1cc(C[S@](=O)CC(=O)Nc2ccc(F)cc2F)on1 71859047 FBMBSZNYDLGMBF-OAQYLSRUSA-N 314.313 2.149 0 40 DEAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1Cn1cccn1 71875400 YHWFDWYLKWCCAM-ZIAGYGMSSA-N 323.400 2.345 0 40 DEAB O=C(c1sccc1C1CC1)N1CCN(c2cnccn2)CC1 71835260 ZNNMZCUYSZYJAP-UHFFFAOYSA-N 314.414 2.378 0 40 DEAB Cc1nc(CNC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)cs1 69369052 IZLVNUIUOCOKJA-WDEREUQCSA-N 324.450 2.040 0 40 DEAB COc1ccccc1C(=O)Nc1ccc(O[C@H](C)C(N)=O)cc1 8328229 PFTWKPCCMIQSHT-LLVKDONJSA-N 314.341 2.200 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N[C@@H]1CCN2CCCC[C@H]12 69434168 CGZPDVQMKHAYJQ-HZPDHXFCSA-N 312.417 2.088 0 40 DEAB C[C@H]1CN(C(=O)NCCc2ccc(N(C)C)cc2)C[C@@H](C)O1 69416567 KMEXWCJROJMRGL-OKILXGFUSA-N 305.422 2.114 0 40 DEAB Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69808144 UOSHLWYPZBHJMI-CQDKDKBSSA-N 305.422 2.480 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1nnc(-c3ccco3)o1)C2 69878915 BRASSXUFKZLGKX-UHFFFAOYSA-N 314.349 2.060 0 40 DEAB CCc1nc(CC(=O)N2CCn3c(nnc3C(C)C)C2)cs1 69921787 GLUZSJHZGAAFKU-UHFFFAOYSA-N 319.434 2.005 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCC2(C1)OCCO2 95443532 YZCLNSDJLYRGKV-QWHCGFSZSA-N 323.339 2.434 0 40 DEAB O=C(Cn1ccnn1)N(Cc1ccc(O)cc1)C1CCCCC1 97046268 PGYSJZGNHBQPIZ-UHFFFAOYSA-N 314.389 2.345 0 40 DEAB CC(C)(C)[C@H]1OCCC[C@@H]1CNC(=O)c1ccc(C(N)=O)cc1 72287924 DLCLQURJDDZGDF-CABCVRRESA-N 318.417 2.357 0 40 DEAB COc1cncc(/C=C/C(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 95468383 JNYNLAZVKDVACO-MLRMMBSGSA-N 314.389 2.331 0 40 DEAB C[C@@H](COCc1ccccc1)C(=O)N[C@@H]1CCc2nccn2C1 72278689 ROHQBVMHLATKJT-GOEBONIOSA-N 313.401 2.167 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnn(C)c1 97142397 XTJMYMKHHLVKSL-BBRMVZONSA-N 313.405 2.062 0 40 DEAB CCCn1nnnc1CN1CCC[C@H]1CC(=O)c1ccccc1 95965468 PNRJMAKAILQWAJ-HNNXBMFYSA-N 313.405 2.321 0 40 DEAB O=C(NC[C@H]1C[C@]12CCc1ccccc12)N(CCO)CC1CC1 89858003 TVNZDSUHSKVVOW-VQIMIIECSA-N 314.429 2.304 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@@H]1N(C)C 89948529 AOFPRFQNBWSXQY-ZBFHGGJFSA-N 317.433 2.283 0 40 DEAB COc1cc(C(=O)N2CCN(C)C[C@@H]2C)cc(Cl)c1OC 89938346 QNIPOWGTOAUIER-JTQLQIEISA-N 312.797 2.133 0 40 DEAB CC(=O)N1CCC(C(=O)O[C@H](C)COc2cccc(F)c2)CC1 69668523 JDBNFZJJSHEQGZ-GFCCVEGCSA-N 323.364 2.395 0 40 DEAB Cc1c(Cl)c(C(F)F)nn1Cc1nn2cnnc2s1 36612979 ABIIHMWHADHUNA-UHFFFAOYSA-N 304.713 2.330 0 40 DEAB COc1cc(C(=O)NCc2cn(-c3ccccc3)nc2C)on1 182885398 XQEDFZQVUMRXSV-UHFFFAOYSA-N 312.329 2.107 0 40 DEAB Cc1ccsc1C(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1 76384176 LXIDWCBHIYMGFI-QWRGUYRKSA-N 301.433 2.142 0 40 DEAB c1cc(CN2CCC[C@@H](c3nnc(-c4cnccn4)o3)C2)ccn1 72390052 CZEPXXZXYVYCHT-CQSZACIVSA-N 322.372 2.301 0 40 DEAB CN(c1ccccc1)C1CCN(CC[C@H]2CCNC2=O)CC1 564701842 DRRWUTXOJKRYOW-OAHLLOKOSA-N 301.434 2.113 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)NCCc1nnc2ccccn12 25466611 NOSZLANLISJGJX-UHFFFAOYSA-N 319.368 2.492 0 40 DEAB Cc1noc(C)c1CNC(=O)[C@H]1CCN(Cc2ccccc2)C1 561189456 CLGORHBCCBVWNH-INIZCTEOSA-N 313.401 2.430 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1OC 41194849 GLJPKVYVZAYXTP-CABCVRRESA-N 319.401 2.416 0 40 DEAB Cn1cc(N2CC[C@@]3(CCCN(Cc4ccco4)C3)C2=O)cn1 96048777 UXBHKTUFCMRIBR-QGZVFWFLSA-N 314.389 2.032 0 40 DEAB O=C(c1cccnc1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216865 CGCGGEUSIPJYQV-SFHVURJKSA-N 323.400 2.004 0 40 DEAB CCOC(=O)NC(=S)Nc1cc(Br)ccn1 98175377 JDMSSSKVEUKGFT-UHFFFAOYSA-N 304.169 2.287 0 40 DEAB CC[C@@H](C)c1csc(N(C)C(=O)[C@@H](C)CS(C)(=O)=O)n1 96446287 NUMUZGVHAKBDRK-ZJUUUORDSA-N 318.464 2.300 0 40 DEAB C[C@@H](NCc1nc(C2CC2)no1)c1ccc(-n2ccnn2)cc1 96492464 FNZLUGRSTXMKDS-LLVKDONJSA-N 310.361 2.379 0 40 DEAB CCn1nnc2c1[C@H](COC)CN(Cc1ccc(OC)cc1)C2 96060839 KKJRAUJZDNPYBC-AWEZNQCLSA-N 316.405 2.052 0 40 DEAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H]1C1CC1 96420766 RUZMULMKUPEFFF-QZTJIDSGSA-N 314.429 2.288 0 40 DEAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4csc(C)n4)C[C@H]3O2)n1 96042964 RRVSGUNGQDLLNV-FPMFFAJLSA-N 320.418 2.495 0 40 DEAB O=C(N[C@H]1CCN(CC2CC2)C1)N1CCCC[C@@H]1c1cn[nH]c1 97234330 YUANFILFFFVBGA-JKSUJKDBSA-N 317.437 2.131 0 40 DEAB c1cnc(N2CCC3(CCN(CC4CCOCC4)CC3)C2)nc1 96046608 OOTBXCBHZCISNU-UHFFFAOYSA-N 316.449 2.196 0 40 DEAB Cc1cc(N)cc([C@@H]2CN(CCOc3ccccc3)CCO2)n1 257331062 XRFQRRSNJSGLNH-SFHVURJKSA-N 313.401 2.425 0 40 DEAB O=C(NCC1(N2CCOCC2)CCC1)Nc1ccc(F)cc1 1776008378 FLODTINOLZSYHO-UHFFFAOYSA-N 307.369 2.202 0 40 DEAB Cc1ncsc1C(=O)N[C@H](C)c1nnc2n1CCCCC2 46777883 JXXLHJFJEJBERK-SNVBAGLBSA-N 305.407 2.260 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)CC1 49394473 TYCYHTUFUXDDRO-LSDHHAIUSA-N 304.365 2.043 0 40 DEAB NC(=O)[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc2cccnc12 75103871 LXMRHOFMFAFSLX-STQMWFEESA-N 312.373 2.400 0 40 DEAB Cn1cc(N2CCC[C@@H](NC(=O)Nc3cccc(F)c3)C2)cn1 98014209 HMLNKSXATUIFIY-CQSZACIVSA-N 317.368 2.350 0 40 DEAB Cc1ccccc1N1CCN(c2c(C)c(C)nc3ncnn23)CC1 301346258 ILLAHRHSWNCUQX-UHFFFAOYSA-N 322.416 2.376 0 40 DEAB Nc1ccc(Br)cc1C(=O)N[C@H]1CC[C@H](O)CC1 103798724 GYSFIGXUWOXHLB-AOOOYVTPSA-N 313.195 2.065 0 40 DEAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1ccc(Cl)cc1 13668804 NCSOHDUAGZHUPL-ZIAGYGMSSA-N 317.838 2.405 0 40 DEAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(C)CC1 19363246 RWRZHMOUEJRKMT-XWTMOSNGSA-N 312.498 2.072 0 40 DEAB COc1ccc([C@@H](NC(=O)N(C)[C@@H](C)CO)C(F)(F)F)cc1 155142373 KVMDWIVJCPDGGE-JOYOIKCWSA-N 320.311 2.321 0 40 DEAB CC(C)N1CCC(CNC(=O)COc2ccccc2F)CC1 23127911 OTYCOBRMNGHLFU-UHFFFAOYSA-N 308.397 2.441 0 40 DEAB NC(=O)c1ccc(CN2CCCN(Cc3ccccc3)CC2)cc1 22808117 BJRAGIVZLYUAKH-UHFFFAOYSA-N 323.440 2.493 0 40 DEAB Nn1c(COc2cccc(Cl)c2)nc2ccccc2c1=O 129774 ZVIYJSQUJFOTJZ-UHFFFAOYSA-N 301.733 2.343 0 40 DEAB CC(=O)Nc1ccc(SCC(=O)Nc2ccc(F)cc2)nn1 11738655 FCJIJYJMWSSYEZ-UHFFFAOYSA-N 320.349 2.305 0 40 DEAB CC(=O)Nc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccccc21 69383111 DQURZJDDDUSOKF-SFHVURJKSA-N 324.336 2.058 0 40 DEAB O=C(NCc1ccccn1)[C@H]1CCCCN1C(=O)c1ccccc1 79054368 TYISGCHCTFJXAN-QGZVFWFLSA-N 323.396 2.393 0 40 DEAB CN(C)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 100528671 PYTNLSZCOMMFBA-GVARAGBVSA-N 300.358 2.214 0 40 DEAB Cn1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cn1 40512491 SUUHINOKWRYFFD-JTQLQIEISA-N 318.764 2.065 0 40 DEAB COC(=O)N1CCC(NC(=O)N(C)C(C2CC2)C2CC2)CC1 51712755 ISMXJFFPQFBKKR-UHFFFAOYSA-N 309.410 2.047 0 40 DEAB O=[S@](Cc1ccc(Oc2ccccc2)cc1)C[C@H](O)CO 341149 CVKUHFHPMZEPJA-SZNDQCEHSA-N 306.383 2.081 0 40 DEAB O=C([C@H](c1ccccc1)N1CCC(O)CC1)N1CCCCC1 21581889 ZOQWNQVYVHKQHZ-KRWDZBQOSA-N 302.418 2.197 0 40 DEAB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccccc1F 45211 SKFCYJAKYBZUPQ-UHFFFAOYSA-N 312.300 2.451 0 40 DEAB CNC(=O)Oc1cc2sc(=O)oc2cc1Br 259907 PBIXFSHMQSMSPF-UHFFFAOYSA-N 304.121 2.335 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)CCCc1nc(C(C)(C)C)no1 41825081 VIVKQDNSLCYNFP-NWDGAFQWSA-N 309.410 2.326 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N2CCC[C@@H](O)C2)no1 77678743 AITVIFDQPPSTSC-LLVKDONJSA-N 302.334 2.034 0 40 DEAB COCCN1CCN(Cc2ccc(F)c3cccnc23)CC1 42122594 GQHKSCFKXPUVIS-UHFFFAOYSA-N 303.381 2.138 0 40 DEAB CCc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1 4956624 AOZQERFGQOPFRU-UHFFFAOYSA-N 321.427 2.437 0 40 DEAB COC(=O)c1ccc(NC(=O)NC(=S)c2cccnc2)cc1 6027163 YCWNQCDUQINFQY-UHFFFAOYSA-N 315.354 2.365 0 40 DEAB COC(=O)[C@@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccccc1 8685990 JRPDWMDOCJKOFA-ZJUUUORDSA-N 307.396 2.463 0 40 DEAB CCNC(=O)c1ccccc1NC(=S)NC(=O)C(C)(C)C 8722841 GVDCMUGHYFYQLU-UHFFFAOYSA-N 307.419 2.295 0 40 DEAB Cc1nc2c(N(C)C[C@H]3CC(=O)N(C(C)(C)C)C3)ncnc2o1 55183392 HOTZNAGDHXBWGG-LLVKDONJSA-N 317.393 2.009 0 40 DEAB CC(=O)c1ccc(C(=O)OCC(=O)NCc2cccs2)s1 25267160 KVZKTBWCVVCDHS-UHFFFAOYSA-N 323.395 2.485 0 40 DEAB NC(=O)CC1CCN(Cc2cc(F)cc3cccnc23)CC1 48026954 VAUYBVZCFRLNSB-UHFFFAOYSA-N 301.365 2.461 0 40 DEAB CC[C@@H]1CN(C(=O)C[C@H](C)n2cccc2)C[C@H]1N1CCOCC1 107323301 IKCTXMXHHBTJMJ-GVDBMIGSSA-N 319.449 2.008 0 40 DEAB O=C1NCCCC[C@@H]1NCc1cc(Br)ccc1F 35255851 HDDOHKJKDSMBIA-LBPRGKRZSA-N 315.186 2.347 0 40 DEAB COc1ccc([C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C(C)C)cc1 44370890 JMZGHEPBXVOPCJ-WMLDXEAASA-N 318.417 2.377 0 40 DEAB CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1 2036673 SRLROPAFMUDDRC-MRXNPFEDSA-N 313.353 2.296 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3Cc4ccccc4O3)cc12 12779213 RXDPJMFHNYHOGP-HNNXBMFYSA-N 308.341 2.219 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC=CCC2)c2ccccc2O1 44866267 JFKNMDBGTUBNMA-DOMZBBRYSA-N 301.342 2.310 0 40 DEAB COc1ccc(C(=O)Nc2cnn(Cc3cccnc3)c2)c(O)c1 58244549 UVYICAFGGHQAPY-UHFFFAOYSA-N 324.340 2.293 0 40 DEAB CNc1snc(C)c1C(=O)N[C@H]1COc2ccccc2C1 58218481 WJEHPQNHZHPCNQ-LLVKDONJSA-N 303.387 2.227 0 40 DEAB COc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1 100521517 IWICKOBLUJZCTL-OLZWRCARSA-N 313.353 2.403 0 40 DEAB Nc1nccnc1C(=O)NCCCc1nc2ccccc2s1 11180092 KIPRJDSDSDBGQM-UHFFFAOYSA-N 313.386 2.031 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(OC)cc1 2430968 MCUWNHPXLHCFCN-LBPRGKRZSA-N 312.391 2.111 0 40 DEAB CCc1cc2c(CSc3n[nH]c(N)n3)cc(=O)oc2cc1O 3425230 DBZJMOCNFCLIFD-UHFFFAOYSA-N 318.358 2.054 0 40 DEAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(CCc1ccccc1)[C@H]1CCOC1 110672251 YZKQQWIAJGLMIR-XWTMOSNGSA-N 315.413 2.414 0 40 DEAB COc1cccc(N2CCN(c3ncccc3C(=O)O)CC2)c1 13091108 WHAPOJYDXBFKND-UHFFFAOYSA-N 313.357 2.115 0 40 DEAB CC(=O)Nc1cc(C(=O)CSc2nncs2)ccc1O 8881438 LUFAPLXZEIWAHU-UHFFFAOYSA-N 309.372 2.177 0 40 DEAB CC(C)[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)C(=O)O 4084440 FNCXFETZHSAFEV-ZDUSSCGKSA-N 304.302 2.024 0 40 DEAB biogenic COC(=O)Cc1csc(NC(=O)[C@H](OC)c2ccccc2)n1 64365833 VZODUWMWVYMJIE-CYBMUJFWSA-N 320.370 2.185 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc(Cl)s1 49592612 NJBOKZHIRZBMRO-MRVPVSSYSA-N 317.794 2.432 0 40 DEAB CC(C)n1cnnc1[C@H]1CCCN(C(=O)c2cccn2C)C1 65288015 VPJMDHVGGJSPBA-ZDUSSCGKSA-N 301.394 2.217 0 40 DEAB COc1ccc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)cc1 9007854 SBLQWDHWEMZYMN-UHFFFAOYSA-N 314.341 2.220 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 5346150 XPANSSDLZQUSRD-UHFFFAOYSA-N 319.336 2.221 0 40 DEAB C[C@H]1CN(Cn2nc(-c3ccc(F)cc3)n(C)c2=S)CCO1 14139785 VEHHQVMTDSRBAM-NSHDSACASA-N 322.409 2.435 0 40 DEAB O=C1CC2(CCCC2)C(=O)N1CN1CCc2sccc2C1 14309995 CVWIUEKUWWKAEB-UHFFFAOYSA-N 304.415 2.383 0 40 DEAB O=C(Nc1ccccc1)N(O)C[C@@H](O)COc1ccccc1 4677605 HTKVYBZQCRNWIT-CQSZACIVSA-N 302.330 2.350 0 40 DEAB Cc1sc(=O)n(CCc2nc([C@H]3CCCCCN3)no2)c1C 96001537 OIMWTKKLJJNKFN-GFCCVEGCSA-N 322.434 2.357 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1C(N)=O)N1C[C@H](C)C[C@@H](C)C1 9497815 AAAHTGPODDTJHQ-UPJWGTAASA-N 303.406 2.090 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCN(c2ccccc2)CC1 7609204 LHBSBXMGKKGYPM-MDZDMXLPSA-N 324.428 2.399 0 40 DEAB COc1ccc(OCCSc2nnc(C3CC3)n2N)cc1 8010672 RTPBXAYVDVBYLJ-UHFFFAOYSA-N 306.391 2.049 0 40 DEAB CC[C@@H](NC(=O)CS(=O)(=O)C(C)C)c1cc(F)ccc1F 96419012 GNSRLTYWDWATEY-CYBMUJFWSA-N 319.373 2.355 0 40 DEAB Cc1ncc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)[nH]1 70069605 IEDVFASOLNDGJM-UHFFFAOYSA-N 314.798 2.238 0 40 DEAB Cc1ccoc1-c1nnc(CN2CCC[C@@H]2Cn2cccn2)o1 70016604 RLNBWPHEPONNSY-CYBMUJFWSA-N 313.361 2.499 0 40 DEAB COC(=O)[C@H](c1cccnc1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 97032373 QBDWYDKEPRJOGC-BPUTZDHNSA-N 314.389 2.075 0 40 DEAB CCN(CC)C(=O)N1CCN(Cc2noc3c2CCCC3)CC1 95394182 DGCRPSPMQKISTI-UHFFFAOYSA-N 320.437 2.133 0 40 DEAB CCO[C@H](C)c1noc(CN2CCC[C@H](c3ccn[nH]3)C2)n1 72290820 AZJIGMURZWRUDE-NEPJUHHUSA-N 305.382 2.270 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1 72301139 RYINKVYNCCVWNX-ZDUSSCGKSA-N 317.393 2.104 0 40 DEAB O=C(CN1CCC(c2cn[nH]c2)CC1)Nc1ccc(Cl)cn1 97203319 MNVHLWLZYBRUBV-UHFFFAOYSA-N 319.796 2.276 0 40 DEAB COc1cc(-c2nccc(N3CCC(O)CC3)n2)c(Cl)cn1 97805693 IFVHSSOTDDRUJW-UHFFFAOYSA-N 320.780 2.162 0 40 DEAB CCN1CC[C@H](NC(=O)N2CCOC3(CCCC3)C2)C[C@@H]1C 95422005 WGHCPGOETHXROI-GJZGRUSLSA-N 309.454 2.214 0 40 DEAB N[C@@H]1CCN(S(=O)(=O)c2ccccc2-c2ccccc2)C1 95972598 IDALLBWZIZKRDW-CQSZACIVSA-N 302.399 2.075 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cncn2-c2ccccc2)c(=O)[nH]1 9931373 ABVOWMOZFMFPGO-UHFFFAOYSA-N 322.368 2.107 0 40 DEAB Cc1cccc(CN(C(=O)[C@@H](C)N2C(=O)CCC2=O)C2CC2)c1 89669470 JAVSWUGWSLQTCB-CYBMUJFWSA-N 314.385 2.024 0 40 DEAB CC(C)C[C@H]1CCCCN1C(=O)NCC(C)(C)S(C)(=O)=O 89821101 WICBUCNCMMDHSD-CYBMUJFWSA-N 318.483 2.420 0 40 DEAB CC(C)[C@@H](NC(=O)N(C)CC1CCC1)c1nnc2n1CCC2 89801891 HKIUTIJEULSYPK-CQSZACIVSA-N 305.426 2.363 0 40 DEAB CCn1ccnc1CNC[C@H]1CCO[C@@H]1c1c(C)nn(C)c1C 76042707 WKDRVJLHUUYXHJ-PBHICJAKSA-N 317.437 2.121 0 40 DEAB O=C1N[C@H](C(=O)O)CS[C@H]1Cc1c(Cl)cccc1Cl 62712188 JAISNYFYCYURET-UWVGGRQHSA-N 320.197 2.221 0 40 DEAB O=C(CN1CC(=O)Oc2ccccc21)Nc1ccc(Cl)cn1 31834913 MWSSMXDSRRAJCK-UHFFFAOYSA-N 317.732 2.099 0 40 DEAB Cn1cnc(S(=O)(=O)N2CCCC[C@@H]2Cc2ccccc2)c1 69119686 QIXNUSWQKUGLJG-OAHLLOKOSA-N 319.430 2.206 0 40 DEAB COCCN1CCC[C@@H]1c1cc(Nc2ncccn2)nc(C)n1 72382687 YXXIPOBCNIPKSH-CQSZACIVSA-N 314.393 2.102 0 40 DEAB O=C(CCCNc1ncccn1)Nc1cccc(-c2nc[nH]n2)c1 79476882 BKBFLBDKLIXLJV-UHFFFAOYSA-N 323.360 2.093 0 40 DEAB CN1[C@H]2CCC[C@H]1CC(NC(=O)c1cccc(C(=O)O)c1)C2 315863960 HFEUAJHMCUJHSW-GJZGRUSLSA-N 302.374 2.130 0 40 DEAB C[C@H](Cc1ccc(Br)cc1)NCCC(=O)N(C)C 188166324 XBOLMQLGXUWEAO-LLVKDONJSA-N 313.239 2.448 0 40 DEAB CN(C)CCN(Cc1ccccn1)C(=O)c1c(O)cccc1F 123579734 OPAZOCQOZDZWPC-UHFFFAOYSA-N 317.364 2.130 0 40 DEAB Cc1nc(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)n[nH]1 78603809 VWYUPJKVFXTPJC-UHFFFAOYSA-N 302.231 2.201 0 40 DEAB COc1ccc(CCn2cc(-c3nc(C)no3)ccc2=O)cc1 75165608 BDYTXMMZGKRFNL-UHFFFAOYSA-N 311.341 2.458 0 40 DEAB COc1ccccc1OCC(=O)NCCOc1ccc(F)cc1 30132105 FQTASZHGQOEKLG-UHFFFAOYSA-N 319.332 2.408 0 40 DEAB CCOC(=O)c1nc(Cc2ccc(NC(=O)C(C)C)cc2)no1 78404271 MSPYIZORYAVNEN-UHFFFAOYSA-N 317.345 2.432 0 40 DEAB O=C(CCc1cccc2ccccc12)N1CC(n2ccnn2)C1 225692032 NTVJHHBPVRZEAU-UHFFFAOYSA-N 306.369 2.447 0 40 DEAB CCC[C@@H](C)NC(=S)Nc1ncc(C(=O)OCC)c(C)n1 225198079 HMJBFVJBZAUZSH-SECBINFHSA-N 310.423 2.437 0 40 DEAB CCOCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 42646425 IQFYNHWPPBFIDZ-UHFFFAOYSA-N 318.295 2.187 0 40 DEAB O=C(Cn1cc(COc2ccccc2F)nn1)N1CCCCC1 227162750 XLVYIRSHUZHBSJ-UHFFFAOYSA-N 318.352 2.009 0 40 DEAB Cc1nc(O)c(C(=O)NCC2=CCNCC2)cc1-c1ccccc1 574398838 UYOSUAWHZMRBPK-UHFFFAOYSA-N 323.396 2.412 0 40 DEAB COC[C@H]1C(=O)NCC12CCN(Cc1ccccc1Cl)CC2 96206129 OVVHYNIQHYGGCK-AWEZNQCLSA-N 322.836 2.315 0 40 DEAB CN(CC1CC1)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96418247 UBVAYORDOACJOG-UHFFFAOYSA-N 317.357 2.094 0 40 DEAB COCCN1CC2(CCN(Cc3ccc(C)cc3)CC2)C1=O 96202835 YZIWEWAXCNYFLJ-UHFFFAOYSA-N 302.418 2.066 0 40 DEAB O=C([C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1)N1CCCC1 96057601 UHEZCHUHJDYQPS-NUEKZKHPSA-N 320.458 2.350 0 40 DEAB c1cnc2[nH]cc(C3CCN(Cc4nnnn4C4CC4)CC3)c2c1 96424366 QBELCRMVBKIMGS-UHFFFAOYSA-N 323.404 2.264 0 40 DEAB CSC[C@H](C)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 96436832 NCJACHOHAAWELJ-GOEBONIOSA-N 322.474 2.145 0 40 DEAB COC(=O)C[C@H](c1ccc(OC)cc1)c1oc(C)cc(=O)c1O 96116187 XOGZIAGMERPBSH-CYBMUJFWSA-N 318.325 2.357 0 40 DEAB biogenic COCC(=O)N1CCC[C@H](Cc2ccnc3ccncc23)CC1 257230822 GEBMTVGQLOTDQG-AWEZNQCLSA-N 313.401 2.447 0 40 DEAB C[C@@H]1C[C@@H](C(=O)O)CN(Cc2cc3ccccc3nc2O)C1 263012791 CEFBWUGINWPQEX-BXUZGUMPSA-N 300.358 2.483 0 40 DEAB COc1cc(CCNC(=O)N2CC[C@@H](C)O[C@@H](C)C2)ccc1O 664123712 JTENYROYAUNYLY-OLZOCXBDSA-N 322.405 2.152 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)c2cc3ccc(F)cc3[nH]2)[C@H]1O 585263013 VDIINJJDYHVTEF-DAXOMENPSA-N 320.364 2.355 0 40 DEAB Cc1cc(NC(=O)NC[C@@H]2CCCN2CC(F)F)sn1 1548451733 AVPZJWQIOIXPLY-VIFPVBQESA-N 304.366 2.303 0 40 DEAB CNC(=O)c1cccc(C(=O)N2C[C@H](CCN)c3ccccc32)c1 1548579686 REPJOEYODJVUSM-HNNXBMFYSA-N 323.396 2.139 0 40 DEAB O=C(CCOc1cccc(Cl)c1)NCCNc1cnccn1 56497727 ZRRKYLIRQDBNKO-UHFFFAOYSA-N 320.780 2.127 0 40 DEAB COc1ccccc1C[C@H]1CCCN1C(=O)Cn1cc(C)cn1 58988344 CEXPTYAFWLMUNU-MRXNPFEDSA-N 313.401 2.434 0 40 DEAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(CO)nc3)cn2)n1 1587242731 AFNDUUSEQMOPAL-UHFFFAOYSA-N 323.356 2.024 0 40 DEAB CCS(=O)(=O)N1CCc2c(Br)ccc(F)c2C1 95939484 WEUJVYKGKFOQMZ-UHFFFAOYSA-N 322.199 2.296 0 40 DEAB Cc1ccnc([C@H](NC(=O)[C@@H](C2CC2)N2CCCC2)C2CC2)n1 97376512 KFNGYDVRNZSBOS-HZPDHXFCSA-N 314.433 2.227 0 40 DEAB O=S(=O)(NC[C@H](O)c1ccsc1)c1ccccc1Cl 56906347 NZNXTDKJTUKAGZ-NSHDSACASA-N 317.819 2.413 0 40 DEAB CN1CCN(C(=O)Nc2nncs2)[C@H](c2ccccc2)C1 40525249 OOQFGHHFTGZULN-LBPRGKRZSA-N 303.391 2.059 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](N3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 5043836 IYYCNRSLERBFNP-XJKCOSOUSA-N 316.401 2.305 0 40 DEAB Cc1cc(C)c(NC(=O)CSc2nccc(=O)[nH]2)c(C)c1 5045196 IRZQLJLBNFDRNH-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCC1 5045908 YENRAVWFAYONIG-UHFFFAOYSA-N 316.430 2.120 0 40 DEAB Cn1c(=O)c(C(=O)Nc2ccc(F)cc2F)cc2cccnc21 5303663 WPYAFBKXXFQUNU-UHFFFAOYSA-N 315.279 2.464 0 40 DEAB CCCNC(=O)C[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1CC 5412862 LKAARZBHSMRSEM-GJZGRUSLSA-N 317.433 2.486 0 40 DEAB biogenic,in-vitro O=C(O)[C@@]1(C[C@H]2CC(c3ccccc3F)=NO2)CCCNC1 12157319 NTUPJODXLTXQPF-BDJLRTHQSA-N 306.337 2.163 0 40 DEAB CC(=O)N[C@H]1C[C@@H](c2nc(-c3ccc(Cl)cc3)no2)N(C)C1 12529792 QTISYDBJHHLAIX-STQMWFEESA-N 320.780 2.271 0 40 DEAB biogenic,in-vitro Cc1cc(S(=O)(=O)NCCCN(C)C)c(C)cc1Cl 13939004 CYDVZKYMXDSUCR-UHFFFAOYSA-N 304.843 2.187 0 40 DEAB Cc1ccc(CN(CCCN2CCOCC2)C[C@@H]2CCOC2)o1 13992792 YCFSOTOOUZQDQL-KRWDZBQOSA-N 322.449 2.149 0 40 DEAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccn1)C2O 19322800 AEAOAKMVBATFKG-UHFFFAOYSA-N 315.461 2.371 0 40 DEAB biogenic CC[C@H](O)Cn1cnc2c(F)cc(Br)cc2c1=O 157051185 QDKZHNDRARYQQW-QMMMGPOBSA-N 315.142 2.069 0 40 DEAB Cc1cc(OC2CN(C(=O)c3cccc(N(C)C)c3)C2)ccn1 1889149110 KXZUMPRITQOCRQ-UHFFFAOYSA-N 311.385 2.359 0 40 DEAB CC(C)C(=O)NC[C@H]1OCCc2cn(Cc3ccccc3)nc21 1614966209 YWKOTZBGWMVDRJ-MRXNPFEDSA-N 313.401 2.317 0 40 DEAB CC(=O)N1CCC(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 29278238 PRBVVZUXDKVOPW-UHFFFAOYSA-N 312.373 2.274 0 40 DEAB COC(=O)CCN(C)Cc1ccc(OC(F)F)c(OC)c1 40461052 LVIXUHOMOMZKSP-UHFFFAOYSA-N 303.305 2.292 0 40 DEAB Cc1[nH]c2nc(NCc3ccc(Cl)cc3)nn2c(=O)c1C 100641590 WRHIGVQMBFYUJB-UHFFFAOYSA-N 303.753 2.300 0 40 DEAB CC(C)c1ccc(-c2noc(CCC(=O)N(C)CCO)n2)cc1 32801928 VVROXTBQZGZCNT-UHFFFAOYSA-N 317.389 2.243 0 40 DEAB CCOC(=O)N1CCC(NC(=O)c2cccc(OC)c2)CC1 21970432 YPLHRMDQYFQBCF-UHFFFAOYSA-N 306.362 2.046 0 40 DEAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)cc1 1295406 ZEILNCIDAFKWQH-LLVKDONJSA-N 319.304 2.201 0 40 DEAB COc1cc2c(OC)cccc2cc1C(=O)N1CCOCC1 1443687 VFWJRUJMIFKQMG-UHFFFAOYSA-N 301.342 2.329 0 40 DEAB CNC(=O)[C@@H](NC(=O)CS[C@@H](C)C(C)C)c1ccccc1 79077572 BUOPYUXYDLUMJX-WFASDCNBSA-N 308.447 2.368 0 40 DEAB CC(C)C(=O)Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2 4105837 GPYWXPBZHWVSEI-OAQYLSRUSA-N 303.387 2.229 0 40 DEAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](C)(O3)[C@@H]2C1=O 104572152 MGCKEBGGNHVPIC-LMOYCYGVSA-N 303.745 2.481 0 40 DEAB CCOC(=O)[C@H]1C(=O)N[C@@H]2c3ccccc3O[C@H]3CCCC[C@]321 6783893 SEVNYVDCZGGKSS-LUXYFRNMSA-N 315.369 2.358 0 40 DEAB CC(C)/N=c1\ccccn1C(=O)[C@@H]1Cc2ccccc2C(=O)O1 104722127 OGNJAQVNXIFGQQ-NXSRCCIVSA-N 310.353 2.219 0 40 DEAB O=C1NCCCC[C@@H]1Sc1ccc(C(=O)N2CCCC2)cn1 42733117 JTGGONHYKHZOMR-ZDUSSCGKSA-N 319.430 2.078 0 40 DEAB Cc1sc2ncc(C(=O)Nc3nccs3)c(=O)n2c1C 61721154 CBGCEZMSPTTZRG-UHFFFAOYSA-N 306.372 2.082 0 40 DEAB CCNC(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O 8041532 VQRIZZDTHLNNTL-UHFFFAOYSA-N 318.826 2.022 0 40 DEAB O=C(COc1ccccc1F)Nc1ccc(C(=O)O)c(O)c1 20144603 GQUHODGZZABQKZ-UHFFFAOYSA-N 305.261 2.247 0 40 DEAB Cc1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)n(C)n1 43435033 UXWDYXDREPUKOY-CQSZACIVSA-N 319.384 2.292 0 40 DEAB O=C(NC(=S)NC1CCCC1)c1ccc2c(c1)OCCO2 9140192 BEIRNIAJGHGQLH-UHFFFAOYSA-N 306.387 2.005 0 40 DEAB COc1ccc2nc(C)cc(NCCN3CCOCC3)c2c1 25436430 BUXDAWLNWXNSOB-UHFFFAOYSA-N 301.390 2.296 0 40 DEAB O=C(NCc1nc(C2CC2)no1)Nc1cccc2c1OCCO2 56719445 OTFCKMVTYWWPNO-UHFFFAOYSA-N 316.317 2.040 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1ccn(-c2cccc(Cl)c2)n1 57395029 SEGXKPIWHSKGID-ZDUSSCGKSA-N 305.765 2.435 0 40 DEAB C[C@H](O)CN(Cc1ccccc1)C(=O)[C@@H](C)OCC(F)(F)F 72295010 TYTKNCFPMXUBMA-NWDGAFQWSA-N 319.323 2.363 0 40 DEAB O=C(O)C1=C[C@H](c2cccnc2)n2nc(-c3ccccc3)nc2N1 102335860 HGQGEEJUNPQOFZ-CQSZACIVSA-N 319.324 2.324 0 40 DEAB O=C(c1ccc(Br)o1)N1CCO[C@H]2CCC[C@H]21 44377036 ZZNALHFXUBNOEQ-BDAKNGLRSA-N 300.152 2.436 0 40 DEAB O=C(NCc1cc[nH]n1)N1CCN(c2ccccc2Cl)CC1 48277031 HLWVCTREERHOBE-UHFFFAOYSA-N 319.796 2.095 0 40 DEAB CCCC(=O)N1CCCC[C@H]1C(=O)NCCc1csc(C)n1 58161577 DMXNEXKDNWJTOH-AWEZNQCLSA-N 323.462 2.291 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)NC[C@H]1CCCO1 44892517 PXCINJUHWUBHLK-CABCVRRESA-N 321.421 2.285 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 44889554 AHRVVDJRDYQBCP-CZUORRHYSA-N 316.401 2.032 0 40 DEAB Cn1ncc2c(N3CCC([C@@H](O)c4ccccc4)CC3)ncnc21 12787553 BUXVTDHSGZIBRK-INIZCTEOSA-N 323.400 2.313 0 40 DEAB CCc1[nH]c(C(=O)N(CC)C[C@@H]2CCOC2)c(C)c1C(=O)OC 58307891 CQCNJFOLZIDEJC-LBPRGKRZSA-N 322.405 2.171 0 40 DEAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)CC1Cc3ccccc3C1)CCO2 107720255 UXUSMTOCIRXAPC-LMMKCTJWSA-N 315.413 2.196 0 40 DEAB CCN(Cc1ccc(F)cc1Cl)[C@H]1CCS(=O)(=O)C1 58340222 WGCWTZOURCVQER-LBPRGKRZSA-N 305.802 2.488 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C 45070447 HRAKHOUBQDFZNM-NEPJUHHUSA-N 307.394 2.305 0 40 DEAB CC[C@@H](C(N)=O)N(C)Cc1cc(Br)ccc1F 58420487 ANNODAMDECGHPZ-NSHDSACASA-N 303.175 2.284 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282943 LQAQHGOJSGGMIY-SNVBAGLBSA-N 308.769 2.308 0 40 DEAB CN1CCO[C@H](C(=O)Nc2nc(Cc3ccccc3)cs2)C1 97107771 MATTWSVDZXZRIP-AWEZNQCLSA-N 317.414 2.003 0 40 DEAB CNC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 29634790 RRMZBVRTVSUXII-UHFFFAOYSA-N 323.440 2.140 0 40 DEAB NC(=O)COC(=O)CCCSc1nc2ccccc2s1 2625399 BYNIPDMEEGPGIQ-UHFFFAOYSA-N 310.400 2.197 0 40 DEAB Cc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)nc(C(C)C)n1 9050406 VIGQSUCHFRWZEJ-GXTWGEPZSA-N 302.422 2.213 0 40 DEAB CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(N)c2)cc1 3885482 HPLLPTUQWXUKNF-UHFFFAOYSA-N 322.386 2.477 0 40 DEAB NC(=O)NC1CCN(Cc2cccc(OC(F)(F)F)c2)CC1 93051810 ZKNPCIRUOMOKKQ-UHFFFAOYSA-N 317.311 2.218 0 40 DEAB Cc1nc(S[C@H]2CCCCNC2=O)n(C[C@@H]2CCCO2)c1C 9760764 DWSSCKZPBOLCEU-KBPBESRZSA-N 323.462 2.440 0 40 DEAB CCOc1ccc2ccccc2c1[C@@H]1CC(=O)N=C2N=CNN21 409375832 PSHKXHWCYAWZJK-ZDUSSCGKSA-N 308.341 2.414 0 40 DEAB COc1ccc(C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4197506 XKAKQQOHKFSFDM-BVIHXZOGSA-N 301.342 2.465 0 40 DEAB COc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCc1ccccc1 4383896 OEBQBPSTDRUEMY-GOSISDBHSA-N 324.380 2.462 0 40 DEAB CN(CC(=O)N1CCC[C@H](n2cccn2)C1)Cc1ccccc1 65623692 LDRNKNABUMMDDC-KRWDZBQOSA-N 312.417 2.179 0 40 DEAB O=C(COCC(=O)Nc1ccccc1)NCc1cccs1 9355378 FJXYVQKCITZSRR-UHFFFAOYSA-N 304.371 2.020 0 40 DEAB CC(C)c1nnc(SCC(=O)Nc2ccc(C(=O)O)cc2)[nH]1 6782100 URZQUVSEJHRYOH-UHFFFAOYSA-N 320.374 2.357 0 40 DEAB CCC1=C(C(=O)OC)[C@H](c2ccc(OC)cc2)n2ncnc2N1 6850983 WCOAWIYZOVCWQR-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@H](C)Cn1cncn1 68087320 QQBYKDOINOTXHE-GFCCVEGCSA-N 323.400 2.191 0 40 DEAB CCNC(=O)N1CCN(C(=O)CC(C)(C)c2ccccc2)CC1 68250287 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Cc1cc(-c2cnc(N3CCC[C@@H](O)C3)nc2C2CC2)on1 72340347 STIZZHRZWRZMRT-GFCCVEGCSA-N 300.362 2.279 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3cnccn3)C2)cc1 72363875 NLVSVHFCWPZNCL-CQSZACIVSA-N 317.414 2.353 0 40 DEAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cc[nH]n1 32913128 FOLJLELGXBHVPL-UHFFFAOYSA-N 304.737 2.442 0 40 DEAB Nc1nc([C@H]2CCCN2c2cnccn2)cc(C(F)(F)F)n1 72356637 WQVNLECPWHXQPC-SECBINFHSA-N 310.283 2.209 0 40 DEAB Cc1c(C(=O)O)c(NCc2nc(C3CC3)n[nH]2)nc2ccccc12 563209527 JGUXLKBPUIHNDJ-UHFFFAOYSA-N 323.356 2.849 0 40 DEAB CC(C)(C)[S@@](=O)CCNC(=O)C1=NO[C@H](c2ccccc2)C1 79001911 XROQZPBOUAYDLM-RCDICMHDSA-N 322.430 2.167 0 40 DEAB COc1cc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)ncn1 79439158 BBPVCUXJCRDHCG-NSHDSACASA-N 308.382 2.297 0 40 DEAB CSC[C@@](C)(O)CNC(=O)CSc1ccc(F)cc1 75157252 GJXSVRGYFXLYJI-ZDUSSCGKSA-N 303.424 2.148 0 40 DEAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](c2nnn[nH]2)C1 195546851 OPPDYWOJXUYGIY-UTUOFQBUSA-N 317.418 2.079 0 40 DEAB CC[C@@H](CO)NC(=O)Nc1ccc(OC)cc1Br 225455860 REWQSJBBGRHGBR-QMMMGPOBSA-N 317.183 2.350 0 40 DEAB C[S@@](=O)c1ccc(NC(=O)Cn2ncc3ccccc32)cc1 80520888 IYULIMNHARJQMX-QFIPXVFZSA-N 313.382 2.412 0 40 DEAB COc1cc(C(F)(F)F)nc(NC(=S)NCC(C)C)n1 225892921 VYEXESLZUROGRK-UHFFFAOYSA-N 308.329 2.446 0 40 DEAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C(=O)NCC 224048407 QVEFFLRNDACLEJ-CYBMUJFWSA-N 306.406 2.349 0 40 DEAB CC[C@]1(C)CN(C(=O)Nc2ccc([S@](C)=O)cc2)CCO1 190016116 UKLYVSBGGZKDCB-VFNWGFHPSA-N 310.419 2.457 0 40 DEAB Cc1nonc1NC(=O)c1ccc(N2CCC(C)CC2)nc1 96447898 GCNWDYIJRXHWGV-UHFFFAOYSA-N 301.350 2.262 0 40 DEAB C[C@@H]1SCCN(C(=O)NCc2cccnc2N(C)C)[C@H]1C 96411416 JGFXXHPRHIHBKC-RYUDHWBXSA-N 308.451 2.183 0 40 DEAB COCC1(CNC(=O)c2cc(O)nc(C3CC3)n2)CCCCC1 579492932 UWLIAFPBDMGHDY-UHFFFAOYSA-N 319.405 2.386 0 40 DEAB CC(C)Nc1ccnc([C@@H]2COCCN2Cc2ccccn2)n1 96220537 FMBLPFZKESYMLR-HNNXBMFYSA-N 313.405 2.265 0 40 DEAB CO[C@@H]1CCN(C(=O)c2cnccn2)C[C@@H]1Cc1ccccc1 96110162 CIGVDYWBAJHDAU-DOTOQJQBSA-N 311.385 2.196 0 40 DEAB C[C@@H](CCc1cccc(F)c1)NC[C@](C)(O)c1cnn(C)c1 96478289 NIRZWNMVRXCWRA-GUYCJALGSA-N 305.397 2.378 0 40 DEAB Cc1ccc(C)c(CC(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c1 96426685 XEHKJCBHRZXGJO-RDJZCZTQSA-N 314.429 2.173 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 97971510 CKMRADMOARYKNR-HZPDHXFCSA-N 312.417 2.250 0 40 DEAB CN(C)C(=O)[C@H]1CSCN1C(=O)C/C=C/c1cccc(F)c1 96454274 LQXWGUXPDHHFAT-YVARQFDVSA-N 322.405 2.219 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)c3cccnc3)CCN2C)cc1 257223784 DYVIMIPUOSFJBY-KRWDZBQOSA-N 311.385 2.219 0 40 DEAB COc1ccccc1C[C@@H](C)NC(=O)c1cc(C)nc2ccnn12 257258074 KSIIKOWUTSMSEL-GFCCVEGCSA-N 324.384 2.407 0 40 DEAB Cc1cnc(C2(C)CCN(C(=O)c3ccncn3)CC2)s1 257299739 RRIVJEFFVLRNNN-UHFFFAOYSA-N 302.403 2.435 0 40 DEAB Cc1nc(C(=O)N2CCOC[C@@H](Cc3ccccc3)C2)co1 257281652 OQIJRIPJSMPJKC-HNNXBMFYSA-N 300.358 2.314 0 40 DEAB O=C(C1CCC1)N1Cc2cccn2C[C@H](Oc2ccccn2)C1 575406790 TUUFLFHRLFHYET-INIZCTEOSA-N 311.385 2.473 0 40 DEAB CN(CCN1CCOCC1)C(=O)CCc1cccc(Cl)c1 69562071 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LHMGYZRWIDKMFY-CQSZACIVSA-N 309.369 2.461 0 40 DEAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(O)nn1 32736792 VHPCZJYOGWBXSW-UHFFFAOYSA-N 323.805 2.499 0 40 DEAB C[C@H]1CN(C(=O)CCNc2nc3ccccc3o2)C[C@H](C)O1 52445400 FMFXEJMOEAZDAJ-RYUDHWBXSA-N 303.362 2.266 0 40 DEAB COc1ccc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 22472802 RYZGXZWRODJCKC-UHFFFAOYSA-N 310.357 2.467 0 40 DEAB CC(=O)NCCNC(=O)c1sc(-c2ccsc2)nc1C 22758834 SZMPNTJNUMJFCD-UHFFFAOYSA-N 309.416 2.046 0 40 DEAB CC(=O)COC(=O)c1cccc(I)c1 6295925 VAOUDOGQMAJJEY-UHFFFAOYSA-N 304.083 2.037 0 40 DEAB COc1ccc(Cl)cc1/C=C/C(=O)N1CCC(C(N)=O)CC1 54858340 WVJRADDWXVLRJJ-GORDUTHDSA-N 322.792 2.086 0 40 DEAB O=C(Cc1ccccc1F)N[C@@H]1CCCc2[nH]c(=O)ccc21 43055373 NHGYEMFIGJETJG-OAHLLOKOSA-N 300.333 2.250 0 40 DEAB CCOC(=O)c1ccc(NC(=O)c2cnn3cccnc23)cc1 24759476 RIIPDAXRJLVYNT-UHFFFAOYSA-N 310.313 2.158 0 40 DEAB CCC(=O)Nc1ccc(C)c(NCC(=O)NCC(F)(F)F)c1 55848087 MIOQNPBZBAAPFH-UHFFFAOYSA-N 317.311 2.434 0 40 DEAB CC(C)N(C(=O)[C@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1)C(C)C 12546184 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Cc1noc(C)c1NC(=O)Cn1cccc(C(F)(F)F)c1=O 58229274 LGAAAISLVHPDMI-UHFFFAOYSA-N 315.251 2.111 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCC1CCN(C)CC1 58202465 HVKLMPZIMGBDIJ-UHFFFAOYSA-N 313.401 2.117 0 40 DEAB CC(=O)NCCNC(=O)c1ccc(Sc2ccccn2)cc1 58243964 XBAFQNPTQHJINZ-UHFFFAOYSA-N 315.398 2.099 0 40 DEAB C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cccc(NC(N)=O)c1 58414348 BIBYWJOHMREJBK-BXUZGUMPSA-N 321.377 2.090 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NCc1cc2ccccc2[nH]1 58901535 AOVOWPNBPNTTIM-UHFFFAOYSA-N 322.324 2.236 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)cc1Cl 45973009 RPJQYRBRHZJBIG-SNAWJCMRSA-N 306.793 2.386 0 40 DEAB CC(C)CCNC(=O)COC(=O)c1ccc(Br)o1 2658975 YHONCGVMFCLJNZ-UHFFFAOYSA-N 318.167 2.361 0 40 DEAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc2[nH]cnc2c1 8710104 BAKLGXSZXJZJJC-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB O=C(CNC(=O)c1ccccc1F)N[C@@H]1CCc2ccccc21 12901281 MZCRJBJQDBBNSO-MRXNPFEDSA-N 312.344 2.359 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C)CC(=O)N(C)C 12980763 SJEXQDILSLBUBC-CYBMUJFWSA-N 314.433 2.446 0 40 DEAB CCCC1(CCC)NC(=O)N(CC(=O)c2cccn2C)C1=O 39544582 GSBBGBZPCOVGPC-UHFFFAOYSA-N 305.378 2.099 0 40 DEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1sccc1-c1ccccc1 71807259 FTZXFDUHYQOUCK-GFCCVEGCSA-N 321.423 2.332 0 40 DEAB COc1ccc(CNC(=O)N(C)Cc2c(C)noc2C)cc1O 65533053 LYYNOELQGPGNRA-UHFFFAOYSA-N 319.361 2.347 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)n1 71817151 OCZLSBRHFWZABI-UKRRQHHQSA-N 313.357 2.088 0 40 DEAB CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)cc2)CC1 5458117 MCKYZMRJHHFZPX-UHFFFAOYSA-N 305.374 2.039 0 40 DEAB O=C(CNC(=O)C1CCCCC1)Nc1nc2ccccc2[nH]1 6610439 ABCQZMQEKXPIFP-UHFFFAOYSA-N 300.362 2.198 0 40 DEAB Cc1ccccc1[C@H](C)NC(=O)CSc1nnnn1C1CC1 15050612 AFMCGTQKUQPZQQ-NSHDSACASA-N 317.418 2.286 0 40 DEAB Cc1ccc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 15831444 YJYFNBJCYHUIHW-HNNXBMFYSA-N 302.374 2.386 0 40 DEAB O=C(COc1ccc(C(F)(F)F)cc1)NCc1ccon1 81064972 GUAQXOUINYRSOF-UHFFFAOYSA-N 300.236 2.389 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)OC[C@@H]1CCCO1 68799102 PVOIJUPQTDTWEE-JYJNAYRXSA-N 321.417 2.463 0 40 DEAB CC(C)c1ccc(NC(=O)[C@H](C)N2CCC[C@H](C(N)=O)C2)cc1 8171680 PDOCOKNUBPUSJQ-ZFWWWQNUSA-N 317.433 2.334 0 40 DEAB COc1ccc(S(=O)(=O)n2nc(C)c(Cl)c2C)cc1 17030628 LFOZUZINMXGZJA-UHFFFAOYSA-N 300.767 2.399 0 40 DEAB CCc1noc(CN(C)C(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1 69492682 MXLRYNAFQVGVET-QWHCGFSZSA-N 324.425 2.369 0 40 DEAB Cc1c([C@H](C)NC(=O)[C@H](C)NC(N)=O)oc2ccc(F)cc12 69436392 HPCXGQLZSGOARR-IUCAKERBSA-N 307.325 2.114 0 40 DEAB O=C1NC(c2ccccc2)=N[C@]1(Nc1ccccn1)C(F)(F)F 19857046 SQLXWSHWQKJQLR-AWEZNQCLSA-N 320.274 2.329 0 40 DEAB Cc1cc(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)nn1C 96484539 HEONHNHBVDENCU-DGCLKSJQSA-N 300.362 2.415 0 40 DEAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCCC[C@H]1C 69591097 TZMPCKMVUVXCTN-VXGBXAGGSA-N 314.389 2.082 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCOCC(F)(F)F 69700124 RGNHGEXLSXSGCO-NEPJUHHUSA-N 308.344 2.041 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)NC(=O)c2cnc(C)s2)c1 69820037 MFKYKPCXWDPNDU-UHFFFAOYSA-N 310.400 2.187 0 40 DEAB CN(CC[S@](=O)c1ccccc1)CC(=O)Nc1ccccc1 69811401 FBXXFTJUDRPMBX-JOCHJYFZSA-N 316.426 2.365 0 40 DEAB COC(=O)c1cc(F)ccc1CSc1nnc(N)n1C1CC1 69892906 FOQVGYFAGBBMLD-UHFFFAOYSA-N 322.365 2.413 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(c3ncnc4[nH]ccc34)C2)n1 69950803 MFFQGZFMLTYYNY-ZDUSSCGKSA-N 311.393 2.083 0 40 DEAB CCOc1cccc(CS(=O)(=O)Cc2c(C)noc2C)n1 97085298 SEHQRICXCKNSPZ-UHFFFAOYSA-N 310.375 2.200 0 40 DEAB Cc1cc2c(=O)n(Cc3noc(C(C)C)n3)cnc2cc1F 97085570 HWUJOVMFLMLHEW-UHFFFAOYSA-N 302.309 2.399 0 40 DEAB COc1ccc(F)cc1CNC[C@H]1CCCN1c1cccnn1 72276717 IBPOVTNOEDQDPA-OAHLLOKOSA-N 316.380 2.383 0 40 DEAB C[C@H]1C(=O)NCCN1C(=O)NCc1cc2cc(F)ccc2s1 72270149 OWJWDJGCGGQUPC-VIFPVBQESA-N 321.377 2.070 0 40 DEAB CN1CC[C@H](NC(=O)CCn2ccc3cc(Cl)ccc32)C1=O 95442975 SESNMUXRMQAPDU-ZDUSSCGKSA-N 319.792 2.032 0 40 DEAB CCc1cc(C(=O)NC[C@H](c2cccc(OC)c2)N(C)C)n[nH]1 97249707 DPDCDJRDSAKHBC-MRXNPFEDSA-N 316.405 2.013 0 40 DEAB O=C(Cn1cc(C2CC2)nn1)NCC1(c2ccccc2)CCC1 95414595 XPBPSWJWPVKPTH-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB CC(C)(C)NC(=O)N1CCOC[C@H]1C[C@H](O)c1ccccc1 95427266 NIMHGHGHVLFEEU-CABCVRRESA-N 306.406 2.319 0 40 DEAB O=C(Cn1nnnc1C1CCCCC1)NCC1CCCCC1 95444793 NVBXKXODYWSYBR-UHFFFAOYSA-N 305.426 2.417 0 40 DEAB COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1cccnc1 95465356 UZTIGUXZIJAGAV-BZUAXINKSA-N 310.353 2.216 0 40 DEAB O=S(=O)(N[C@@H]1C=C[C@H](CO)C1)c1cccc2ccccc12 95972936 QTWVRSKWJDTIAH-GXTWGEPZSA-N 303.383 2.055 0 40 DEAB Cc1cccn(CC(=O)NC[C@@H]2CCCc3ccccc32)c1=O 95961908 VQBVFMQDZKWKNW-INIZCTEOSA-N 310.397 2.393 0 40 DEAB Cc1cccc2c(CC(=O)NCc3csc(=O)[nH]3)c[nH]c12 89508506 GRIMBMLDYSAZGF-UHFFFAOYSA-N 301.371 2.085 0 40 DEAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@@H]2CCC[C@H]21 75125098 RUYJTUQPUKCQET-UKRRQHHQSA-N 314.341 2.028 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1cscn1 76042666 AJLUKFRRKHYHHD-SWLSCSKDSA-N 306.435 2.361 0 40 DEAB CN(C(=O)c1cnc2sccn2c1=O)c1ccc(F)cc1 65495300 KSVXEPQJYURBON-UHFFFAOYSA-N 303.318 2.172 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1nnc(-c2ccccc2)o1 408710741 YMLWDKQCMPHCTR-DDHJSBNISA-N 321.336 2.044 0 40 DEAB COc1ccc(CNCCc2ccc(O)c(OC)c2)cc1O 1767546 MSZUUNZARYXGLL-UHFFFAOYSA-N 303.358 2.447 0 40 DEAB biogenic CC(=O)N1CCN([C@H](CCC(=O)O)c2ccc(C)cc2)CC1 408608018 LTMZLWGTIDYOJL-MRXNPFEDSA-N 304.390 2.065 0 40 DEAB CC(=O)N1CCC[C@@H](c2cccc(NCC3(C)COC3)n2)C1 72365515 PZKVOAZGNQLOKK-CQSZACIVSA-N 303.406 2.256 0 40 DEAB CCOc1cc(C(=O)Nc2cnn(C)c2)nn1-c1ccccc1 72264696 KNAAXXUZJZJLHC-UHFFFAOYSA-N 311.345 2.257 0 40 DEAB Nc1nccnc1C(=O)NCc1ccnc(Oc2ccccc2)c1 32931470 ZANLPJZXYMHRAC-UHFFFAOYSA-N 321.340 2.176 0 40 DEAB Cc1nc(C)c(CC(=O)N2CC[C@H](c3n[nH]cc3C)C2)s1 72386133 VXMWXGAGZDTXRU-LBPRGKRZSA-N 304.419 2.350 0 40 DEAB CSc1cc2c(cc1NC(=O)NC[C@H]1CCOC1)OCCO2 78394965 YRJGEGBUMJDUPU-SNVBAGLBSA-N 324.402 2.338 0 40 DEAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)C1=COCCO1 38488158 UUFVNSVGOOYHRS-UHFFFAOYSA-N 311.341 2.188 0 40 DEAB O=c1n(CN(CC2CCCCC2)C2CC2)nc2ccccn12 62582397 YBBREFANQYYOSV-UHFFFAOYSA-N 300.406 2.498 0 40 DEAB Cc1ccc(O[C@H]2CCCN(C(=O)Cc3ccsc3)C2)nn1 225464259 KYBKNEPGBFKTKN-AWEZNQCLSA-N 317.414 2.459 0 40 DEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1O 226857434 GTLUSJSGSZKPQU-UHFFFAOYSA-N 307.327 2.200 0 40 DEAB CN1CC[C@@H](CC(=O)O)[C@@H](Cc2nc3ccc(F)cc3[nH]2)C1 514289721 ZGZVCYQIXWBSGH-QWRGUYRKSA-N 305.353 2.287 0 40 DEAB biogenic,in-vitro C[C@@H](N)[C@@H]1CCCN(C(=O)c2c(F)c(F)cc(F)c2F)C1 195542934 LNJUSYOWPAMVHY-HTQZYQBOSA-N 304.287 2.442 0 40 DEAB Cc1ccc(CNC(=O)N[C@@H]2CC[C@H](N(C)C)C2)c(N(C)C)c1 91764510 IXWXRVHVWPKXBS-CVEARBPZSA-N 318.465 2.343 0 40 DEAB C[C@@](Br)(C(=O)c1ccc(F)cc1)S(C)(=O)=O 96518600 UXXBZFSREFPNPL-JTQLQIEISA-N 309.156 2.164 0 40 DEAB CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccccc1F 96519671 QEJRXTLPEGEJJH-VIFPVBQESA-N 301.166 2.425 0 40 DEAB C[C@@H](NC(=O)C1(O)CCCC1)c1noc(-c2ccccc2)n1 95450023 OTYJJIROENHVAW-LLVKDONJSA-N 301.346 2.219 0 40 DEAB COC(=O)[C@@H](N[C@@H]1CCCOC1)c1ccc(Cl)c(F)c1 97102496 HPUUSPBICBILBY-MFKMUULPSA-N 301.745 2.462 0 40 DEAB Cc1ccc(OC[C@H]2CO[C@@H]3CN(Cc4ccc[nH]4)C[C@@H]32)cn1 96219573 ROHJZIBWHWETGG-BMGDILEWSA-N 313.401 2.244 0 40 DEAB Cn1ccnc1[C@@H]1N(C(=O)c2cnn3ccccc23)CC1(C)C 333091292 OGHBGFFXBBWWAB-AWEZNQCLSA-N 309.373 2.291 0 40 DEAB CCN(C)[C@H]1COC2(CCN(C(=O)Cc3cccs3)CC2)C1 96220805 JUXCYESTYJIFBF-CQSZACIVSA-N 322.474 2.392 0 40 DEAB Cc1nccn1CCCCOn1nnc2ccc(Cl)cc21 97236022 CQVMZNRWZOMYBK-UHFFFAOYSA-N 305.769 2.499 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)NC[C@H](C)Sc1ccccc1 96439838 FVXQCPZROILSRR-STQMWFEESA-N 319.434 2.147 0 40 DEAB COC[C@H]1CN(Cc2cc(C)on2)Cc2c1cnn2CC1CC1 96197946 VADMDMJCMCKTFX-CQSZACIVSA-N 316.405 2.335 0 40 DEAB CN1C(=O)C2(CCN(C(=O)c3ccoc3)CC2)c2ccccc21 96052498 QDWRLTBGCNPUDL-UHFFFAOYSA-N 310.353 2.430 0 40 DEAB COc1cccc([C@@H]2CCN2C(=O)c2n[nH]c3c2COCC3)c1 97295042 FNXWSHPZAQQMGA-HNNXBMFYSA-N 313.357 2.078 0 40 DEAB CN1CCOCC12CCN(C(=O)c1c[nH]c3ccccc13)CC2 96074579 QZNODVNLSUFRGD-UHFFFAOYSA-N 313.401 2.105 0 40 DEAB COCc1nc(N(C)C)ncc1C(=O)N[C@@H](C)c1ccccc1 96182813 OHHRBJVJFKJVBD-LBPRGKRZSA-N 314.389 2.180 0 40 DEAB C[C@@]1(O)CCN(Cc2cncnc2)C[C@H]1Oc1cccc(F)c1 257238149 HJUOHVNHVYCRSL-IAGOWNOFSA-N 317.364 2.020 0 40 DEAB Clc1ccccc1OCCc1cc([C@@H]2CNCCO2)n[nH]1 257248665 JESBNHYTAMSFRF-HNNXBMFYSA-N 307.781 2.346 0 40 DEAB CN(C(=O)c1cscn1)[C@H]1CCCN(c2ccccn2)C1 257238933 HNELCLLFPRXTDQ-LBPRGKRZSA-N 302.403 2.279 0 40 DEAB CC(C)(C)OC(=O)c1ccsc1NC(=O)CCn1ccnn1 252510433 ZKOYOTZRBZNGMQ-UHFFFAOYSA-N 322.390 2.324 0 40 DEAB Cc1nc(Nc2ccc(F)c(F)c2)cc([C@H]2CNCCO2)n1 257242221 IBOLJNNJLVWJBG-CQSZACIVSA-N 306.316 2.468 0 40 DEAB Cn1cncc1-c1cccc(C[C@H]2CCN(c3ncccn3)C2)n1 257293467 QPNMZSFIHPMNHB-CQSZACIVSA-N 320.400 2.341 0 40 DEAB CC(=O)N1CC[C@@](Cc2cc(-c3ccccc3)no2)(C(=O)O)C1 257288631 PVALPYUHUCUECE-KRWDZBQOSA-N 314.341 2.207 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)on1 257308811 TYEWUISKOKLTSM-GFCCVEGCSA-N 302.378 2.299 0 40 DEAB CCn1cc(C(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)c(C)n1 257269486 MQEXDNRNHWEDMU-ZDUSSCGKSA-N 301.394 2.029 0 40 DEAB Cc1cc([C@H](C)NCc2ccc(N3CCO[C@@H](C)C3)nc2)no1 279585101 NOGXPCORPWOTMF-KBPBESRZSA-N 316.405 2.454 0 40 DEAB Cc1nccc(O[C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 575604690 CWUPXDVMTLADID-ZDUSSCGKSA-N 317.414 2.459 0 40 DEAB COC(=O)c1ccccc1SCC(=O)NCc1ccccn1 69777096 NBGOZORDRHZKDA-UHFFFAOYSA-N 316.382 2.277 0 40 DEAB C[C@H](N[C@H](C)Cn1cccn1)C(=O)N(C)Cc1cccc(F)c1 69952162 SLEVCEFHLYCABM-KGLIPLIRSA-N 318.396 2.047 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)c1ccc[nH]c1=O 36393457 BKBUSQOOEDIPSS-UHFFFAOYSA-N 313.357 2.021 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)n1C 53176236 RYUASTMAENDGKD-UHFFFAOYSA-N 303.431 2.353 0 40 DEAB O=C(NCCc1cccs1)Nc1cnn(C[C@H]2CCCO2)c1 79876441 NTCOFUWDJGFCED-CYBMUJFWSA-N 320.418 2.488 0 40 DEAB CN1CCC(N(CCO)Cc2ccc(Cl)cc2F)CC1 189014705 LWSNYTDYVDHREK-UHFFFAOYSA-N 300.805 2.368 0 40 DEAB C[C@@H]1CN(C)CCN1C[C@H](O)c1cccc(Br)c1 89939207 BCEYLZKFPCHQHJ-RISCZKNCSA-N 313.239 2.118 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)NC[C@@H]1CCCS1(=O)=O 91398582 BWAJYYPQMPKUOF-FZMZJTMJSA-N 301.839 2.438 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)NCC(C)(C)C[C@@H](C)O)c1 96492627 MXEXGJYDEQELFS-LLVKDONJSA-N 303.399 2.210 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)Nc2cccnc2)C1 177457255 FQYMYKYBORWJRK-HNNXBMFYSA-N 309.341 2.369 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)c1 5102268 VYTIHJCAZFZCNH-HMEQZMJYSA-N 311.337 2.314 0 40 DEAB COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)c(OC)c1 12420005 VKVWCWOYDLYKRW-VIFPVBQESA-N 305.359 2.217 0 40 DEAB COc1ccc(C(=O)c2c(N)nc3n2CCCC3)cc1OC 15083004 HJUSYFBRPPHYRG-UHFFFAOYSA-N 301.346 2.050 0 40 DEAB C[C@@](O)(CNC(=O)Cc1cccnc1)c1ccccc1Cl 155865270 HUQIMAQQTZFTGC-MRXNPFEDSA-N 304.777 2.301 0 40 DEAB Cc1csc2ncc(C(=O)Nc3ccc(F)cc3)c(=O)n12 4121140 CDWSSJSAVBKKNW-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB COc1ccccc1NC(=O)N1c2ccccc2C[C@H]1C(N)=O 10256219 WGDIIXFLWFZSBD-AWEZNQCLSA-N 311.341 2.144 0 40 DEAB O=C(NCCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cn1 38720265 NDSLUKHBTLWBNC-UHFFFAOYSA-N 321.739 2.172 0 40 DEAB c1cncc(CNc2ncnc3c2ncn3C[C@H]2CCCO2)c1 2298071700 IEHPLTMRSAEDET-CYBMUJFWSA-N 310.361 2.012 0 40 DEAB O=C(N[C@H]1CCN(c2ccccc2OC(F)F)C1)c1cc[nH]n1 96408177 LMHJZQAXBCRMNA-JTQLQIEISA-N 322.315 2.020 0 40 DEAB CN1CCN(C(=O)c2ccc(N(C)C)nc2)[C@H](c2ccccc2)C1 32313928 KCEONFJOCIJNBZ-KRWDZBQOSA-N 324.428 2.277 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40554299 LJTBCKBVIMEDIW-HOTGVXAUSA-N 323.414 2.221 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCCCNC2=O)oc2c(F)cccc12 40521816 HWFSHHASSSPOAJ-GFCCVEGCSA-N 304.321 2.279 0 40 DEAB CCn1cc(/N=c2/scc(C)n2[C@@H]2CCN(C(C)=O)C2)cn1 101644837 FUTYMIPRUXVZPZ-DHSYKJLNSA-N 319.434 2.100 0 40 DEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccncc1 22067826 PUNPJWVSNTVPIA-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB O=C(NCc1cccnc1)c1ncn2c1COc1ccccc1-2 96784008 PEGILLOTHMJPAI-UHFFFAOYSA-N 306.325 2.090 0 40 DEAB CCc1ccc2c(c1)cc(C)c1nnc(SCC(N)=O)n12 412502 VQXZZYPLCFWUQM-UHFFFAOYSA-N 300.387 2.331 0 40 DEAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 77844997 NPZCVGWUGPILFS-BONVTDFDSA-N 312.797 2.192 0 40 DEAB N[C@H]1CC=C(COC(=O)[C@@](O)(c2ccccc2)C2CC2)CC1 1641831 NVDXAHVZTJDPLS-FUHWJXTLSA-N 301.386 2.265 0 40 DEAB COc1ccc([C@H](NCCO)[C@H](O)c2ccc(OC)cc2)cc1 1668849 PDPNQUZPEWAQHI-ZWKOTPCHSA-N 317.385 2.060 0 40 DEAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CN1CCCS1(=O)=O 79203927 MNOABLJJPUVKGX-HZSPNIEDSA-N 317.451 2.026 0 40 DEAB Cc1nc(C)c(CN2CCN(C3=NC[C@@H](C)S3)CC2)s1 79497603 IOGHRRBNDUAORS-SNVBAGLBSA-N 310.492 2.369 0 40 DEAB Cc1cccc2nc(C(=O)NC[C@@H](c3ccco3)N(C)C)cn12 41903369 MJOAVVPPKTZAAV-AWEZNQCLSA-N 312.373 2.268 0 40 DEAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ncnc3c2cnn3C)C1 53573800 DRRULCPKFTXINA-MGPQQGTHSA-N 314.437 2.205 0 40 DEAB CCCC(=O)N(CCOC)c1nnc(-c2cccnc2)s1 4881544 DPMBKQZXPRHDPO-UHFFFAOYSA-N 306.391 2.380 0 40 DEAB CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 23175256 VWZCWHYRUNRTAE-UHFFFAOYSA-N 322.361 2.295 0 40 DEAB C=Cn1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 10119673 OKWCMJODTNXBSS-UHFFFAOYSA-N 301.350 2.089 0 40 DEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCC[C@H](C)C1 42484793 DLHCSTMGHFUFBY-RERGGYADSA-N 311.389 2.238 0 40 DEAB COC(=O)[C@@H](C)Sc1nnc(Cc2ccc(OC)cc2)o1 24786437 GJBKLHZLLMJPDI-SECBINFHSA-N 308.359 2.323 0 40 DEAB OC[C@@H]1CCCN1c1cc(N2CCc3sccc3C2)ncn1 106905845 AXWKDXCIJUOYRO-ZDUSSCGKSA-N 316.430 2.062 0 40 DEAB CCc1cc(=O)n(CC(=O)NC(C)C)c(-c2ccc(F)cc2)n1 57508735 IDKDCIJFXQMMJM-UHFFFAOYSA-N 317.364 2.136 0 40 DEAB CCOc1ccc(Cl)c(C(=O)N[C@H]2CCN(C3CC3)C2)n1 57554918 QOSFAZFKRSKVTI-JTQLQIEISA-N 309.797 2.100 0 40 DEAB Cc1nc(CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)oc1C 58246260 INOYRMXHXIEODN-MRXNPFEDSA-N 317.320 2.398 0 40 DEAB CC(=O)c1ccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)s1 44915417 MBMPVQLEYHJRNJ-SDDRHHMPSA-N 324.446 2.178 0 40 DEAB Cc1ncc(CN(C)C[C@@H](O)COc2ccccc2F)s1 44974880 ZUOSEBXEDZZWME-GFCCVEGCSA-N 310.394 2.462 0 40 DEAB COc1ccccc1-c1cc(C(=O)N2CCOC[C@@H]2C)no1 44915718 FYBFLHMNHZIYLI-NSHDSACASA-N 302.330 2.211 0 40 DEAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)[C@H]1CCCO1 27866720 PNDLVOMADGJEKS-GXFFZTMASA-N 320.414 2.418 0 40 DEAB COc1ccccc1[C@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O 46531252 DOBQWKAQZANFBG-LBPRGKRZSA-N 319.405 2.018 0 40 DEAB O=C(NCc1ccccc1)C1CCN(C(=O)c2ccncc2)CC1 12806577 NNUKBWFOOBUEBH-UHFFFAOYSA-N 323.396 2.250 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccccc1Cl)CS2 12874604 AULHSHKKEHGCRR-SWLSCSKDSA-N 324.833 2.410 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCSCC1 48791220 DDFIMRONBWSPSG-UHFFFAOYSA-N 306.416 2.098 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cnn(C)c2C)cc1 13297066 XPYNXSKIVITZGF-GFCCVEGCSA-N 301.346 2.221 0 40 DEAB CCc1ccccc1NC(=O)CSc1nnc([C@H](C)N)o1 5119727 BETMDTPJXWXPEL-VIFPVBQESA-N 306.391 2.383 0 40 DEAB CCC[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1F)C1CC1 65494920 ORBUDPNLCLNIKJ-CQSZACIVSA-N 307.369 2.154 0 40 DEAB CNC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 65609700 MGRLHMOMTLNYFY-UHFFFAOYSA-N 301.795 2.173 0 40 DEAB Cc1c(/C=C2/NC(=S)N(c3ccc(F)cc3)C2=O)cnn1C 6527482 YSIJOBGLXBULJG-NTUHNPAUSA-N 316.361 2.130 0 40 DEAB O=C(O)Cc1ccc(NC(=S)NC(=O)c2ccccc2)cc1 20151452 KSDPFTQMQYEOLA-UHFFFAOYSA-N 314.366 2.441 0 40 DEAB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(C)nc2)cc1 4985600 RFGOINMGFAIOBP-UHFFFAOYSA-N 311.385 2.248 0 40 DEAB Cc1ccc(C)c(OC[C@H](O)CN2CCCC[C@@H]2CO)c1C 7060546 UIGABJQLRMFJQC-IAGOWNOFSA-N 307.434 2.198 0 40 DEAB COc1ccc(C)cc1C(=O)N1CCC[C@H](n2cncn2)C1 72234735 YWSHNFXHXVARTR-ZDUSSCGKSA-N 300.362 2.072 0 40 DEAB Cc1cnn(CCC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1 72299475 HKMUQSVCWMDMJB-CYBMUJFWSA-N 315.377 2.206 0 40 DEAB CCS(=O)(=O)CCNC(=O)/C=C/c1cccc2ccccc12 68058831 DPNKIGXBGWMJRR-ZHACJKMWSA-N 317.410 2.404 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)c2ccc3c(c2)COC3)c1 68074857 DUVQIZHRLQUBIE-UHFFFAOYSA-N 319.338 2.216 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(N)=O)cs2)C1(C)C 96419325 AYHFHGIMGAVWLP-VXGBXAGGSA-N 310.419 2.123 0 40 DEAB CC(C)CN(CC(N)=O)C(=O)c1ccc(-n2cccc2)c(F)c1 70010071 OMWRZFNJLGEKEQ-UHFFFAOYSA-N 317.364 2.200 0 40 DEAB O=C(CSc1nnnn1C1CC1)N1CC[C@@H]2CCCC[C@H]2C1 8343916 JTQBPFLAPUNOIC-RYUDHWBXSA-N 321.450 2.139 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc(CC(C)C)n[nH]2)c1 71869837 ZISHDIPXDMIKLY-OAHLLOKOSA-N 315.421 2.418 0 40 DEAB O=C(Cn1cnc2sccc2c1=O)NCC1CCCCC1 8402921 VYRHUJVTQLDHIF-UHFFFAOYSA-N 305.403 2.155 0 40 DEAB Cc1ccc(CN(C)C(=O)CSc2nnc(C3CC3)n2C)o1 8473886 WODSITWWOKNQSK-UHFFFAOYSA-N 320.418 2.345 0 40 DEAB Cc1c(CC(=O)NCCC(C)C)c(=O)oc2cc(O)cc(O)c12 8490552 YFLBNXZBMYQDKL-UHFFFAOYSA-N 319.357 2.217 0 40 DEAB biogenic O=C(NC1CCN(Cc2noc3c2CCCC3)CC1)C1CCC1 71889149 AQCFMFKHDBMLGB-UHFFFAOYSA-N 317.433 2.434 0 40 DEAB CC(C)S(=O)(=O)[C@H](C)C(=O)NCC1(c2ccccc2)CC1 71820826 ACUSCPLOKXILDG-CYBMUJFWSA-N 309.431 2.046 0 40 DEAB CC(C)S(=O)(=O)[C@@H](C)C(=O)NCC1(c2ccccc2)CC1 71820825 ACUSCPLOKXILDG-ZDUSSCGKSA-N 309.431 2.046 0 40 DEAB COc1cccc([C@H](C)N2CCN(CCn3cccn3)CC2)c1 69918514 KZXVHYFSJRPJSC-INIZCTEOSA-N 314.433 2.271 0 40 DEAB C[C@@H](C(=O)N[C@H]1CCOC(C)(C)C1)N1Cc2ccccc2C1=O 70666669 CCDCGYXQAPENLF-JSGCOSHPSA-N 316.401 2.105 0 40 DEAB biogenic CC(C)[C@H](Nc1ccc2nnnn2n1)c1nc2ccccc2[nH]1 8710267 SMXQQBDBUBXJHQ-AWEZNQCLSA-N 308.349 2.205 0 40 DEAB O=C(OCC1CCN(CC(F)(F)F)CC1)C1=COCCC1 95404979 HBGWVVUQPAKIJG-UHFFFAOYSA-N 307.312 2.498 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N[C@H]1C[C@H]1C1CCCCC1 95409957 XMTVWMAVUQGUKA-KBPBESRZSA-N 317.437 2.035 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1NC2(CCCC2)C(=O)N1CC1CC1 95408361 LPVWNWUIRSOGOM-HNNXBMFYSA-N 302.422 2.190 0 40 DEAB CC1=NN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)O)cc2)CC1 95424746 XMCXUVLBQZHSRX-LSDHHAIUSA-N 315.373 2.256 0 40 DEAB CCc1oc(C(=O)Nc2cccc(C(=O)N(C)C)n2)cc1C 95415287 KGCMJZKDZZAFFJ-UHFFFAOYSA-N 301.346 2.500 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1cccnc1 95947026 MTKAAYGMFYPHAH-SFHVURJKSA-N 323.396 2.013 0 40 DEAB Cc1ncc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)s1 95983628 PLRLBADMYSOZHQ-AWEZNQCLSA-N 306.435 2.375 0 40 DEAB Cc1ccccc1CS(=O)(=O)NC[C@@H](N)c1ccccc1 95972624 CWPGUHIHMRLFGA-MRXNPFEDSA-N 304.415 2.114 0 40 DEAB Cc1cc(C(=O)N2CCN(Cc3nc(C)c(C)s3)CC2)on1 89606851 ZNWBOPJKIDCZPT-UHFFFAOYSA-N 320.418 2.014 0 40 DEAB CN(CC(F)(F)F)C(=O)CNc1nnc(C(C)(C)C)s1 89761563 UKZGTNREUOAKBT-UHFFFAOYSA-N 310.345 2.268 0 40 DEAB COc1cc2c(cc1[C@H]1CC(=O)Nc3n[nH]cc31)OCCCO2 65388204 LZXDZQQTNVZWRA-SECBINFHSA-N 315.329 2.054 0 40 DEAB C[C@H]1CN(C/C=C/CN2C[C@H](C)C(=O)C[C@@H]2C)[C@@H](C)CC1=O 36507730 AXZMGWWNXZUFCN-GLGJLECESA-N 306.450 2.141 0 40 DEAB Cc1nc(CN2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)no1 76016757 LDEHADITYREXAD-LBPRGKRZSA-N 310.398 2.209 0 40 DEAB CCN(CCN)CC1CCN(C(=O)OCc2ccccc2)CC1 79391799 GWGYOBFVFLMBLO-UHFFFAOYSA-N 319.449 2.316 0 40 DEAB O=C(OC[C@@H]1CCCO1)c1cc(Br)ccc1O 39951685 RVMUQKLAZHLONE-VIFPVBQESA-N 301.136 2.491 0 40 DEAB Cn1cc(C[C@@H]2CC(=O)N(Cc3ccc(Cl)s3)C2=O)cn1 72675533 AEZDGTBGITWEQJ-SNVBAGLBSA-N 323.805 2.253 0 40 DEAB O=C(C1CCC1)N1CCNC[C@H](COCc2ccccc2)C1 72354481 BFJLFLADFHTRKV-INIZCTEOSA-N 302.418 2.051 0 40 DEAB CC(C)(C)[S@@](=O)CCNC(=O)c1c[nH]nc1-c1ccccc1 79028373 KAFQTNPBEMYNSK-JOCHJYFZSA-N 319.430 2.354 0 40 DEAB CC(C)n1cc(CN2CCSC[C@@H]2c2cnn(C)c2)cn1 191739444 CJELEAWPACUSRC-OAHLLOKOSA-N 305.451 2.488 0 40 DEAB Cc1cnc(C)c(NCCOc2ccc3c(c2)CCC(=O)N3)n1 195563709 OYCJWUJZZQFJDX-UHFFFAOYSA-N 312.373 2.469 0 40 DEAB O=C(COc1ccc(Cl)cc1Cl)NCC1(CO)CC1 49462033 HZWDZCPYLGTYFX-UHFFFAOYSA-N 304.173 2.261 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC[C@@H]1c1nnc2ccccn12 96117153 ZUFZFNUZAMBWJK-GFCCVEGCSA-N 311.345 2.311 0 40 DEAB Cn1c(CNC(=O)c2cc(Cl)ccn2)nnc1C1CCC1 97373454 HKOIWBNKDBTXKJ-UHFFFAOYSA-N 305.769 2.061 0 40 DEAB O=C(NCCCO)NCC1(c2ccc(F)cc2Cl)CC1 95452045 JUCVANFOFZUZOY-UHFFFAOYSA-N 300.761 2.192 0 40 DEAB O=C(Cc1ccco1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96209064 NVLRULMSSSDRQR-AEFFLSMTSA-N 319.401 2.399 0 40 DEAB CO[C@@H]1CCC[C@H]1OC(=O)c1cn(Cc2cccc(F)c2)nn1 96468836 KKCYKEUVXBTRKV-HUUCEWRRSA-N 319.336 2.190 0 40 DEAB COCCc1nnc(SCc2ccc(Cl)s2)n1N 96430388 QMVAGTJYIJDGGM-UHFFFAOYSA-N 304.828 2.188 0 40 DEAB CN(C)S(=O)(=O)NCCc1cccc(-c2ccccc2)c1 96472884 HAZZXONMGFNLIW-UHFFFAOYSA-N 304.415 2.292 0 40 DEAB Cc1ccc(CCC(=O)N2CCOC[C@H]2c2cccn2C)o1 97379424 ZQVDYUZRIPAFDK-INIZCTEOSA-N 302.374 2.459 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)COc3cccc(F)c3)C2)n1 257342721 ZPWMXMUNCVGCOC-GFCCVEGCSA-N 303.337 2.252 0 40 DEAB CN1CCC[C@H](NC(=O)c2ncccc2-c2cccc(CN)c2)C1 257314102 UVHQRSLCSIVENV-INIZCTEOSA-N 324.428 2.031 0 40 DEAB c1ccc([C@@H]2CNCCN2Cc2ccnc(N3CCCC3)n2)cc1 257242126 IBETUYZNYMTIDW-SFHVURJKSA-N 323.444 2.223 0 40 DEAB CN(C)C(=O)c1cnc([C@@H]2CCCCN2c2ncccn2)s1 257296322 RCGILNZLVOOBAW-NSHDSACASA-N 317.418 2.367 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1cnn(C)c1C 257248670 JESKDORZDHGQBW-OAHLLOKOSA-N 315.421 2.446 0 40 DEAB Cn1ccnc1-c1cncc([C@@H]2CCCN(c3ccncn3)C2)n1 257269038 MOIDGYPRUNNTCU-CYBMUJFWSA-N 321.388 2.051 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2cc(C)no2)nc(C)n1 257285075 PFNAABYFMHJZAN-GFCCVEGCSA-N 301.350 2.100 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCC[C@H](Cc2ccn[nH]2)C1 257324926 WQTVFPSAGGHAKE-CYBMUJFWSA-N 302.378 2.038 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3sc(C)nc3C)C2)n1 257268932 MNVXWZASIWKGAF-GFCCVEGCSA-N 304.419 2.432 0 40 DEAB COc1ccccc1[C@H]1Cn2ccnc2CN1Cc1ccnn1C 257227515 FPRHXMZNKMBBEC-MRXNPFEDSA-N 323.400 2.382 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@H]1c1ccncn1 257303681 SIGKLKHLODXEGF-HNNXBMFYSA-N 301.321 2.358 0 40 DEAB COc1cccc(C[C@@H]2CN(C(=O)c3ccccn3)CCO2)c1 257288753 PVLOZBBOJPPQND-MRXNPFEDSA-N 312.369 2.174 0 40 DEAB Cc1nccc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)n1 257230086 GATJPMRSKYBDQW-LBPRGKRZSA-N 311.389 2.017 0 40 DEAB C[C@@H]1Oc2c(cccc2C(=O)N(C)CCC(F)(F)F)NC1=O 69817774 DVTJLCYAQFEOBN-QMMMGPOBSA-N 316.279 2.430 0 40 DEAB CCn1cc(NC(=O)Nc2cnn(C(C)(C)C)c2)ccc1=O 68371903 VGTMOBKJRHGBBZ-UHFFFAOYSA-N 303.366 2.464 0 40 DEAB Cc1nc(Cl)cc(Oc2cccc(C(=O)NC[C@@H](C)O)c2)n1 71911544 ODJPHOSAWVFVFF-SECBINFHSA-N 321.764 2.341 0 40 DEAB CC(C)[C@H](NCCCNS(C)(=O)=O)c1ccc(F)cc1 49067070 HLHVILWJECYZAO-AWEZNQCLSA-N 302.415 2.052 0 40 DEAB Cc1ccc(OC[C@H](O)CN2CCC(N3CCCC3)CC2)cc1 51951803 LEVRPIAGUNUHHO-GOSISDBHSA-N 318.461 2.295 0 40 DEAB CCOc1ccc(CCNC(=O)c2csnn2)cc1OCC 56090490 UOOOFYAPZSJFER-UHFFFAOYSA-N 321.402 2.308 0 40 DEAB C[C@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)C(=O)N1CCCC1 73108656 PSCVEBUTSMFPBG-VIFPVBQESA-N 319.386 2.231 0 40 DEAB COC[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(F)cc1F 84675237 VKOLCEGYOFPSHW-JTQLQIEISA-N 305.346 2.073 0 40 DEAB CCNC(=O)CNC(=O)c1ccccc1C(=O)c1ccc(C)cc1 40489811 PPSIIZCODNORDS-UHFFFAOYSA-N 324.380 2.092 0 40 DEAB c1cc(CN2CCNCC2)c2oc(N3CCCCCC3)nc2n1 1908512012 ODMSTKNNVMJCFT-UHFFFAOYSA-N 315.421 2.008 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CCCNC(=O)C3CC3)n2)cc1 11738353 AMRMKQNINKGZMA-UHFFFAOYSA-N 311.385 2.135 0 40 DEAB CC(C)c1ccccc1OC[C@@H](O)CNCCCn1ccnc1 13930323 TXQYAUAFXZOSLW-INIZCTEOSA-N 317.433 2.426 0 40 DEAB CCc1nnc(NC(=S)NC(=O)c2ccccc2OC)s1 16162607 ATXXZRJPASWAAB-UHFFFAOYSA-N 322.415 2.236 0 40 DEAB CN(C)C[C@@H]1CN(C(=O)c2cccnc2)Cc2ccccc2O1 19582082 RYEXNGFOWTVHHE-MRXNPFEDSA-N 311.385 2.047 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc[n+]([O-])c1 3325269 NFSMVQBHEIKBLL-UHFFFAOYSA-N 310.309 2.149 0 40 DEAB CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 3658892 IHYGNDCMKCSLQE-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB CN(Cc1ccco1)C(=O)CSc1nnc2n1CCCCC2 6098239 YRRGZBMGFKCUCB-UHFFFAOYSA-N 320.418 2.348 0 40 DEAB CNC(=O)c1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 16731023 XSKPQENXHRAQHU-UHFFFAOYSA-N 322.430 2.215 0 40 DEAB O=C(N[C@@H]1CCCN(c2nc3cnccc3s2)C1)C1CC1 1889085241 NIPDNKLENUCEGK-LLVKDONJSA-N 302.403 2.186 0 40 DEAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@@H]1c1ccc(OC)cc1 85413440 ZIDSDMVIJGGWPC-DZGCQCFKSA-N 316.309 2.023 0 40 DEAB COCCCNC(=O)[C@@H](NC(=O)[C@H]1CCCC[C@H]1C)C(C)C 9195391 GQHODXXGSBGAOS-ILXRZTDVSA-N 312.454 2.106 0 40 DEAB CNC(=O)[C@@]1(Nc2cccc(F)c2)CCN(C(=O)CC(C)C)C1 2055750681 QBXKUHGVCSYFFF-QGZVFWFLSA-N 321.396 2.001 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 28431 PJICCQDHPYLPTH-GJZGRUSLSA-N 316.382 2.076 0 40 DEAB COc1cc(CN[C@@H](C)Cn2ccnc2)cc(OC)c1OC 30909671 KYCPBWJBDCLOBQ-LBPRGKRZSA-N 305.378 2.087 0 40 DEAB CC(C)c1noc([C@@H](C)Sc2nnnn2C[C@H]2CCCO2)n1 40496564 AJMWZQVYQJPUTP-NXEZZACHSA-N 324.410 2.212 0 40 DEAB CCc1noc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)n1 40528714 RAIXAQDLIOHSDY-UHFFFAOYSA-N 321.280 2.020 0 40 DEAB CCC[C@]1(C)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O 51373835 PBYZTHLQKBEKBZ-WFASDCNBSA-N 310.781 2.484 0 40 DEAB O=C1[C@H]2N=NN(c3ccccc3)[C@@H]2C(=O)N1Cc1ccccc1 101128057 OAPZCYQUFWDMGZ-GJZGRUSLSA-N 306.325 2.180 0 40 DEAB O=[S@](Cc1ccc(Oc2ccccc2)cc1)C[C@@H](O)CO 341150 CVKUHFHPMZEPJA-QKKBWIMNSA-N 306.383 2.081 0 40 DEAB CCNC(=O)CN(CC)C(=O)/C=C/c1c(F)cccc1Cl 32740858 QFXDJIYLSLDWQJ-CMDGGOBGSA-N 312.772 2.477 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102636660 NUUVQLQBTIPSJH-KBPBESRZSA-N 314.385 2.417 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 103322303 GZBSCBPHBZKNKT-HUBLWGQQSA-N 322.430 2.312 0 40 DEAB C[C@H]1CCc2c(sc(NC(=O)C(F)(F)F)c2C(N)=O)C1 334751 NEORFSMCLZJALE-YFKPBYRVSA-N 306.309 2.473 0 40 DEAB CC1CCN(C(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)CC1 355733 NXSVEYVMEYIXMQ-CQSZACIVSA-N 324.446 2.100 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCCn2c(C)csc2=O)c1C 8941447 XAQNZUIHCWMZJK-UHFFFAOYSA-N 322.386 2.223 0 40 DEAB CCCNC(=O)NCc1cccc(CNC(=O)NCCC)c1 1627369 CWKPKTWUWOKGGC-UHFFFAOYSA-N 306.410 2.105 0 40 DEAB COc1ccccc1CCC(=O)Nc1nnc(-c2ccccn2)[nH]1 53524189 CVOLESYBZGFGPZ-UHFFFAOYSA-N 323.356 2.447 0 40 DEAB COc1cc(CN[C@H]2CCCc3c2cnn3C)cc2c1OCO2 42229435 LYNWPCJCDGELPE-ZDUSSCGKSA-N 315.373 2.325 0 40 DEAB O=C(c1ccoc1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 54546134 PDGZJHIMOQVLOV-OAHLLOKOSA-N 319.382 2.109 0 40 DEAB CN(C(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1 10286351 WWJYUHGQSGGLSF-UHFFFAOYSA-N 318.398 2.359 0 40 DEAB C[C@@H]1NC(=S)N(CCCCOCCc2ccccc2)C1=O 55179817 IDDAUDPEEWOXOP-ZDUSSCGKSA-N 306.431 2.131 0 40 DEAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccn2)CC1 25055276 VWUVDGAQRLYDSV-UHFFFAOYSA-N 324.380 2.429 0 40 DEAB Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)C2=CCCC2)s1 95966081 VNEYSANJRIRWHZ-LLVKDONJSA-N 323.443 2.402 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc(F)cc2Br)C1 34940568 RQOLVSJIXNFVTE-LURJTMIESA-N 302.099 2.026 0 40 DEAB O=C(N[C@@H]1COc2ccc(F)cc2C1)c1cncnc1C1CC1 519686266 FYDOHTKDORHIPV-ZDUSSCGKSA-N 313.332 2.227 0 40 DEAB Cc1n[nH]c(=O)c(C(=O)N2CCC[C@@H]3C[C@H](C)CC[C@H]32)c1C 107493536 BWAIYGXOSFVOQF-LERXQTSPSA-N 303.406 2.428 0 40 DEAB O=C(O)c1sccc1S(=O)(=O)Nc1cccc2c[nH]nc12 35225138 GOHHDOBWJVKUNO-UHFFFAOYSA-N 323.355 2.123 0 40 DEAB in-vitro CC(=O)N1C[C@H](C(=O)Nc2cc(C)ccn2)Oc2ccccc21 12534304 UXOSSFBKBSQCGI-OAHLLOKOSA-N 311.341 2.143 0 40 DEAB O=C(Nc1ccccc1CN1CCNC1=O)N[C@H]1C=CCCC1 97113925 DBLMIEXZAKDBFH-AWEZNQCLSA-N 314.389 2.442 0 40 DEAB CCOc1ncccc1C(=O)NC[C@H]1CCCN(C(C)C)C1 58203439 GFYLGXXLJJWQRC-CQSZACIVSA-N 305.422 2.331 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)O 2156877 DICDFUDSMXXIJT-RISCZKNCSA-N 308.378 2.036 0 40 DEAB biogenic Cc1ccccc1C(=O)N1CCN(C(=O)CC(F)(F)F)CC1 58312388 RWAHIXMDWUZAIT-UHFFFAOYSA-N 314.307 2.232 0 40 DEAB CO[C@@H](CNC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1 58356712 HKDNZQPJUQXYJP-INIZCTEOSA-N 322.368 2.385 0 40 DEAB C[C@H](C1CC1)N(C)C(=O)CCc1nc(-c2cccnc2)no1 48272765 HBSUVWQZUJGEOH-LLVKDONJSA-N 300.362 2.321 0 40 DEAB CSc1ccc(C)c(C(=O)N2CCOC[C@@H]2c2ncon2)c1 95981450 DEFMYPRIIVDGQS-CYBMUJFWSA-N 319.386 2.314 0 40 DEAB CC(=O)N[C@H](C(=O)NCc1nc2ccccc2s1)C(C)C 36709513 ZJFYAPSNXHZYPI-AWEZNQCLSA-N 305.403 2.073 0 40 DEAB Cc1ccc(C)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 3357565 DAZAQMTWCPCWEA-UHFFFAOYSA-N 318.373 2.229 0 40 DEAB COc1cc(OC)cc(C(=O)OCC(=O)NC2CCCCC2)c1 3399775 NAIXLSQSJHNOPY-UHFFFAOYSA-N 321.373 2.310 0 40 DEAB Cc1cccc(-c2nc(CS(=O)(=O)C[C@@H]3CCCO3)no2)c1 46186849 ZVDOSSRFHBAKEC-ZDUSSCGKSA-N 322.386 2.139 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1OC 21187140 UCKVOQMQWJUTOT-CQSZACIVSA-N 320.414 2.393 0 40 DEAB CNC(=O)[C@@H]1CN(C(=O)c2ccc(Cl)o2)c2ccccc2O1 29767752 AMRIPSBTLIQUFM-LBPRGKRZSA-N 320.732 2.087 0 40 DEAB COc1ncccc1NC(=O)NCc1ccccc1CN(C)C 48310325 FARCHTQVJARSII-UHFFFAOYSA-N 314.389 2.474 0 40 DEAB CC[C@H]1CCCCN1C[C@@H](O)COc1cccc(C(=O)OC)c1 13149764 OXFUKHSHXROZHB-JKSUJKDBSA-N 321.417 2.477 0 40 DEAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cc(C(=O)O)cs2)o1 13311924 SJDUMEFTZGVYIQ-MRVPVSSYSA-N 315.372 2.387 0 40 DEAB FC(F)(F)c1cccc(N2CCN(c3cnccn3)CC2)n1 63508624 CRDDHSTXCNZPRG-UHFFFAOYSA-N 309.295 2.217 0 40 DEAB COc1ccc(-c2c(C)nc3nc(SC)nn3c2N)cc1 13638120 XJAKKKGOKZLRHP-UHFFFAOYSA-N 301.375 2.412 0 40 DEAB Cn1c(N)c(C(=O)NCc2ccccc2)c(=O)c2ccccc21 5031518 PDORJYKELDJGRW-UHFFFAOYSA-N 307.353 2.051 0 40 DEAB CC[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1noc(C)n1 97234459 ZFQIUBNXPKSGFF-OLZOCXBDSA-N 318.381 2.489 0 40 DEAB CN1CCc2ncnc(N(C)CCOc3cccc(F)c3)c2C1 65466660 DVZOWXSVDMQRPS-UHFFFAOYSA-N 316.380 2.119 0 40 DEAB CCc1ncncc1C(=O)NCCN1CCCc2ccccc21 65410334 AZNGFCRDAQQPOY-UHFFFAOYSA-N 310.401 2.222 0 40 DEAB C[C@H]1CCc2sc3c(c2C1)-c1ncnn1-c1nnc(S)n1-3 6556254 NLSJQWQEYOCXSX-LURJTMIESA-N 316.415 2.303 0 40 DEAB COC(=O)c1cc(NC(=O)C(C)(C)C)ccc1N1CCOCC1 4712202 GTHIKTPUKYAWBM-UHFFFAOYSA-N 320.389 2.294 0 40 DEAB CCCCn1c(SCC(=O)NC)nc2ccccc2c1=O 6879219 ZCUSVVXQCAPHGO-UHFFFAOYSA-N 305.403 2.035 0 40 DEAB CCCN(C(=O)Nc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 6934874 YNJQSBGWWHWZEO-LLVKDONJSA-N 314.382 2.257 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1F 6916797 KHQPEIQCBQAPAN-UHFFFAOYSA-N 315.347 2.475 0 40 DEAB Cc1cccc(N2CCN(C(=O)c3cccnc3N)CC2)c1C 67292086 WDPAXULSWLPMFB-UHFFFAOYSA-N 310.401 2.243 0 40 DEAB O=C(COC(=O)Cc1cccc(F)c1)NCCc1ccccc1 7492434 KGMMPRKYIUGBDR-UHFFFAOYSA-N 315.344 2.270 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 7653938 GSIVCAOBISXULZ-UHFFFAOYSA-N 317.389 2.353 0 40 DEAB CCc1ccc(C(=O)N2CCSC[C@@H]2CC(=O)OC)cc1 95400047 ZUPVPRDDXPHOOZ-AWEZNQCLSA-N 307.415 2.370 0 40 DEAB C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N(C)Cc1ccsc1 7927057 VPHGOLZXLOMLDM-LLVKDONJSA-N 317.414 2.306 0 40 DEAB C[C@@H](O)CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1 71877368 PSSWMKURLFXHGV-CYBMUJFWSA-N 319.836 2.387 0 40 DEAB O=C(c1ccc2c(c1)OCCO2)N1CCC[C@@H](n2ccnc2)C1 69655440 ZLEISBMNAJRVGJ-CQSZACIVSA-N 313.357 2.132 0 40 DEAB Cc1cc(C)c(NC(=O)N[C@@H]2CCCS(=O)(=O)C2)c(C)c1 71921976 PJYATQQXTADTGN-CYBMUJFWSA-N 310.419 2.311 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)n1 84102153 DDWXMHUOSYLJQR-CYBMUJFWSA-N 315.377 2.124 0 40 DEAB COc1ccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)cc1-n1cnnn1 97081144 ATXRFNGZOVQSNU-RYUDHWBXSA-N 315.377 2.074 0 40 DEAB CCN(CC)S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1F 72283941 QDNHSQBQNSYAMB-UHFFFAOYSA-N 322.789 2.089 0 40 DEAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)Cn1c(=O)cnc2ccccc21 72296813 SGUCDFWTJJONJM-KBPBESRZSA-N 313.401 2.290 0 40 DEAB O=C(NCC[S@](=O)c1ccccc1)NCc1cccs1 72286962 VNBIRZNEKUIBOR-HXUWFJFHSA-N 308.428 2.355 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCOc3ccccc31)C2 72240570 HPRIGBCAJZWVAA-HIFRSBDPSA-N 311.385 2.189 0 40 DEAB COC[C@](C)(CCO)NC(=O)c1ccc2nc(C)ccc2c1 95994495 XIZREYZTOCUVGF-KRWDZBQOSA-N 302.374 2.061 0 40 DEAB CC(C)n1nccc1NC(=O)N[C@@H]1CCN(c2ccccn2)C1 89893854 BCBYLFGFQONMPP-CYBMUJFWSA-N 314.393 2.259 0 40 DEAB COc1ccc(CC(=O)NOCc2ccccc2)cc1OC 25037569 NJMKRYOOCNSXBB-UHFFFAOYSA-N 301.342 2.494 0 40 DEAB Cc1[nH]c(=S)n(CCc2ccccc2)c(=O)c1CC(=O)O 20156363 VZVXIIVHMPEGMA-UHFFFAOYSA-N 304.371 2.084 0 40 DEAB O=C(CN1CCC[C@H]1CCCO)N1CCC[C@H](C(F)(F)F)C1 110620960 PAUIMHAOTLDLHI-STQMWFEESA-N 322.371 2.024 0 40 DEAB CC(C)CNC(=O)c1nc([C@H]2CCCN2C)n2ccccc12 306139876 UDGGFLLERCFDGJ-CQSZACIVSA-N 300.406 2.487 0 40 DEAB Cc1nc(N2CC[C@@]3(CCc4ccccc4O3)C2)cc2nncn12 521210996 FWWIFVLUWLQUCG-SFHVURJKSA-N 321.384 2.407 0 40 DEAB COCc1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1 72240322 CCHKZXXOJDSSFH-UHFFFAOYSA-N 309.362 2.451 0 40 DEAB c1ncc(N2CCC[C@H](Cc3ccc(N4CCCC4)nn3)C2)cn1 72387282 SCLAMOIGLRZTMS-OAHLLOKOSA-N 324.432 2.326 0 40 DEAB C[C@@H]1C[C@@H](Nc2ccc(OCC(F)(F)C(F)F)nc2)C(=O)O1 79030733 CINGVQJERSWHQB-VXNVDRBHSA-N 322.258 2.477 0 40 DEAB Cn1ccnc1[C@@H]1CCN(C[C@@H](O)Cc2cccc(Cl)c2)C1 565155185 CIAJXOXGLDIREB-ZBFHGGJFSA-N 319.836 2.466 0 40 DEAB COc1ccc(C(=O)COc2cccc(S(C)(=O)=O)c2)cc1 47364596 OHGWKSGHUDPFHU-UHFFFAOYSA-N 320.366 2.360 0 40 DEAB Cc1cc(F)cc(C(=O)NCCCNCc2cccnc2)c1 195542760 PXGCMTICYKGWTF-UHFFFAOYSA-N 301.365 2.439 0 40 DEAB CNC(=O)c1sccc1S(=O)(=O)N(C)c1ccc(C)cc1 48991064 CWJBJPSWZGRBBD-UHFFFAOYSA-N 324.427 2.241 0 40 DEAB COCCNC(=O)c1ccc(Nc2ccc(OC)cc2)c(N)c1 225430757 DMQKZAAMABDQME-UHFFFAOYSA-N 315.373 2.397 0 40 DEAB Cc1cccc(N(C)S(=O)(=O)c2c[nH]c(C(=O)O)c2)c1C 62639883 VEUXNPDGYNAWBX-UHFFFAOYSA-N 308.359 2.155 0 40 DEAB CC(C)Sc1ccc(CC(=O)N2CC(n3ccnn3)C2)cc1 225691351 DDNYZCCQXXCPAK-UHFFFAOYSA-N 316.430 2.405 0 40 DEAB Cc1nc([C@H]2CCN(C(=O)Nc3ccc4c(n3)CCC4)C2)n[nH]1 333937661 LTZGEGSVJHYTJQ-LBPRGKRZSA-N 312.377 2.018 0 40 DEAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)NCC[C@@]1(C)O 514289758 DDDKDROEUFFAKQ-OFQRWUPVSA-N 310.463 2.455 0 40 DEAB biogenic,in-vitro O=C(c1ccc(O)cc1F)N(CCO)CCc1ccccc1 195569687 KDUUUAYCTYLPGD-UHFFFAOYSA-N 303.333 2.209 0 40 DEAB O=C1N(c2cccnc2)CC12CCN(Cc1ccncc1)CC2 96202951 ZJDSPJFYXDUZGB-UHFFFAOYSA-N 308.385 2.106 0 40 DEAB CCCOc1cc(C)ccc1CN[C@H]1CCCS(=O)(=O)C1 97230747 SDAMPEIBEDAORX-HNNXBMFYSA-N 311.447 2.451 0 40 DEAB COCC(=O)N[C@H](C)c1c(-c2ccc(F)cc2)noc1C(=O)O 96296853 FOIVJROFWRUEHC-MRVPVSSYSA-N 322.292 2.003 0 40 DEAB biogenic,in-vitro CCc1cccc(NC(=O)NCC2(CS(C)(=O)=O)CC2)c1 96451134 AUJIOFAGHBIJKP-UHFFFAOYSA-N 310.419 2.195 0 40 DEAB Cc1nc(CN2C[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2=O)cs1 96245103 MOVUSFGGEIDCGO-ZFWWWQNUSA-N 317.414 2.135 0 40 DEAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)C4=CCCCC4)C[C@H]3O2)n1 96070653 CWOQQKHRNIPXLW-RRFJBIMHSA-N 316.405 2.292 0 40 DEAB CNC(=O)C[C@@H]1CC2(CCN(C(C)=O)CC2)c2ccccc21 96079434 VTBOIZKCJPLJOI-CQSZACIVSA-N 300.402 2.190 0 40 DEAB CCCCNC(=O)c1cc2c(=O)n3ccccc3nc2s1 96347271 CZZDGIHPMNGLOP-UHFFFAOYSA-N 301.371 2.439 0 40 DEAB CN(C)C(=O)[C@H]1C[C@]2(CCCN(Cc3cccs3)C2)CO1 96048883 OZCJGGOLIJLVBT-ZBFHGGJFSA-N 308.447 2.207 0 40 DEAB O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2c1ccccn1 96038562 ORBFLQCFFQCZBZ-STQMWFEESA-N 300.387 2.032 0 40 DEAB CS(=O)(=O)N1CCC[C@@]12CCCN(Cc1cccs1)C2 96215036 HCLINGHQBJWCSW-CQSZACIVSA-N 314.476 2.138 0 40 DEAB COCC[C@H]1CCOC12CN(C(=O)COc1ccc(C)cc1)C2 248044323 WEIWJWMXHGHIMO-HNNXBMFYSA-N 319.401 2.028 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)Cn2nc(C)cc2C)ccn1 257322065 WELPNKZOEPDCIC-HNNXBMFYSA-N 313.405 2.300 0 40 DEAB O=C(c1cc(F)ccc1F)N1CCC[C@H](c2ccnc(O)n2)C1 257252229 JUADJTILPTWOBZ-JTQLQIEISA-N 319.311 2.480 0 40 DEAB C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)N(C)[C@H](C)C1CC1 69593864 GPFHZINADKUXFN-UYEGUDHTSA-N 300.402 2.461 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2ccnc(O)n2)C1 257204425 AUNZYGYYNGWAQF-NSHDSACASA-N 316.361 2.061 0 40 DEAB CN1C[C@@H]2CN(C(=O)Nc3ccc(F)cc3)CCN2C(C)(C)C1 253401152 MNQMQMWLTIOVDD-OAHLLOKOSA-N 320.412 2.068 0 40 DEAB biogenic,in-vitro O=C(N[C@@H]1CCc2ccccc21)c1csc(-c2nc[nH]n2)n1 69520172 UNWZKKNFYQOVBP-LLVKDONJSA-N 311.370 2.346 0 40 DEAB Cc1cc([C@@H](C)NCc2ccc(N3CCO[C@H](C)C3)nc2)no1 279585106 NOGXPCORPWOTMF-ZIAGYGMSSA-N 316.405 2.454 0 40 DEAB CC[C@H]1CCCC[C@@H]1OCC(=O)Nc1cc(N(C)C)ncn1 298569009 HDRKEDKPAFUWKC-STQMWFEESA-N 306.410 2.467 0 40 DEAB Cc1n[nH]cc1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585275008 TVEYFSWOEDIESD-IRXDYDNUSA-N 303.381 2.425 0 40 DEAB CCN(CCN(C)C)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585290079 RNFPDRMMALOIGN-RCCFBDPRSA-N 324.440 2.370 0 40 DEAB 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2.050 0 40 DEAB COc1cc(C)ccc1OC(=O)c1ccc(CNC(N)=O)cc1 40457626 MXQHTPGUNKWEAT-UHFFFAOYSA-N 314.341 2.391 0 40 DEAB CCc1cc2c(=O)n(CC(=O)Nc3ccccn3)cnc2s1 31848650 WPVKJEJLWAYXGZ-UHFFFAOYSA-N 314.370 2.054 0 40 DEAB CCc1nn2c(=O)cc(COC(=O)c3ccsc3)nc2s1 20991327 ONMKOBQTLJVCAV-UHFFFAOYSA-N 321.383 2.132 0 40 DEAB Cc1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Cl 32779561 NQZZZGGAZZNACG-JTQLQIEISA-N 316.810 2.205 0 40 DEAB C[C@H]1C[C@H]1C(=O)NCC(=O)N(C)Cc1nc2ccccc2s1 32826629 CSMJVOGJKUNUNU-WDEREUQCSA-N 317.414 2.027 0 40 DEAB CCn1cnnc1[C@@H]1CCCN(c2nc(C3CC3)ns2)C1 92638864 VKTPKGZKCIVCEH-LLVKDONJSA-N 304.423 2.411 0 40 DEAB NC(=O)c1ccc2nc(NC(=O)c3ccc(N)cc3)sc2c1 104984 GTBLZCPRMBVCGY-UHFFFAOYSA-N 312.354 2.230 0 40 DEAB CCCn1c(SCC(=O)NC2CC2)nnc1-c1ccccn1 1362818 YNLLNRAOXOAALO-UHFFFAOYSA-N 317.418 2.121 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCc2noc(C)n2)C12CCCCC2 79003114 MSDQLDRBODKPHP-CHWSQXEVSA-N 322.409 2.305 0 40 DEAB O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCCC1 8936961 UOPXZGMEQAWKPF-UHFFFAOYSA-N 319.382 2.490 0 40 DEAB Cc1cc(C)cc(NC(=O)CSc2cc(C)[nH]c(=O)n2)c1 4314596 LKRWBHBEXBKKKG-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)cc1 4347173 QKVLBDTVSNTDJH-XUJVJEKNSA-N 320.414 2.136 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1 6426829 FGNHRBPXLUTDDM-ZDUSSCGKSA-N 318.398 2.301 0 40 DEAB O=C(OCc1cccc(Br)c1)c1cc[n+]([O-])cc1 7735422 WTEPZIXSTCTJHE-UHFFFAOYSA-N 308.131 2.440 0 40 DEAB CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cnc3ccccc3c1)CCO2 107720081 APYQUHYKMLWAKU-ZACQAIPSSA-N 312.369 2.253 0 40 DEAB O=C(CCNC(=O)c1ccoc1)Nc1cccc(-c2ccn[nH]2)c1 24892772 SAKKNEKYWIUCAR-UHFFFAOYSA-N 324.340 2.428 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1noc(C(C)C)n1 106789119 UHWPUVXARQYPSN-ZIAGYGMSSA-N 306.410 2.168 0 40 DEAB Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1 1471160 LMQTTYNGAMCGAI-UHFFFAOYSA-N 318.398 2.220 0 40 DEAB COC(=O)Nc1cccc(NCC(=O)Nc2cc(C)no2)c1 55875518 GHBXXBPAQRNINP-UHFFFAOYSA-N 304.306 2.212 0 40 DEAB O=C(NCCc1ccc(Cl)cc1)C(=O)NC1CCCCC1 9911063 WMZNKGSUYNQJJE-UHFFFAOYSA-N 308.809 2.448 0 40 DEAB CCCCc1ccc(-n2nnnc2SCC(=O)OC)cc1 3257651 BTHPTQOAKKNPBG-UHFFFAOYSA-N 306.391 2.270 0 40 DEAB CC(C)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCc2ccccc2C1 58281553 MGSOMCFDFFIAIO-DLBZAZTESA-N 314.429 2.307 0 40 DEAB CCn1c(=O)[nH]c2ccccc2/c1=N/C(=O)c1ccc(C)cc1 100198184 VHCVLZQSAXIGMS-SILNSSARSA-N 307.353 2.399 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCN(c2cnccn2)C1 44912960 SNSJESBNOSBXDY-KGLIPLIRSA-N 314.389 2.033 0 40 DEAB Cc1ccc(-c2nnc(CCC(=O)N3CCOC[C@H]3C)o2)cc1 44912505 WHLFQWSXPZGHTJ-CYBMUJFWSA-N 315.373 2.225 0 40 DEAB O=C(NCc1cc(Br)cs1)N1CCOCC1 44971370 YWTZSEZFYBJNRR-UHFFFAOYSA-N 305.197 2.052 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C1(C)C 58420510 HCPWQKAEFHLHJM-IUODEOHRSA-N 302.422 2.421 0 40 DEAB Cc1cc(NCCN2CCCc3ccccc32)n2ncnc2n1 58406837 CVSUYECOEGRTOZ-UHFFFAOYSA-N 308.389 2.297 0 40 DEAB Cc1ccccc1-c1noc(CCC(=O)NC[C@@H]2CCCO2)n1 2390481 CTLQRLFWHIDUFH-ZDUSSCGKSA-N 315.373 2.273 0 40 DEAB COCCNC(=O)NCc1ccc(-n2cnc3ccccc32)cc1 60798403 AOXOFEGIIQCBSJ-UHFFFAOYSA-N 324.384 2.471 0 40 DEAB O=C(NC[C@@H]1CCOC1)NC[C@H](c1cccs1)N1CCCC1 48311707 KCEUGYOOVOJBME-UONOGXRCSA-N 323.462 2.221 0 40 DEAB CCCNC(=O)CN(C)C(=O)CCCc1c[nH]c2ccccc12 3422027 CJZYQUOFABKADI-UHFFFAOYSA-N 315.417 2.475 0 40 DEAB CC[C@@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)NC(N)=O)cc2C1 3548546 OJEPKTGMVPRGDW-DTWKUNHWSA-N 324.402 2.003 0 40 DEAB O=C(O)c1ccnc(C(F)(F)F)c1I 307630567 WVGVBFXAHFEXGC-UHFFFAOYSA-N 317.004 2.403 0 40 DEAB O=C(NCCCNC(=O)c1cc2ccccc2o1)c1cccnc1 9050199 WKPQPVGKNSHAPX-UHFFFAOYSA-N 323.352 2.378 0 40 DEAB CCc1ccc([C@@H](CNC(=O)c2ccnn2C)N(C)C)cc1 63501151 WNYDGKNRINRNAQ-MRXNPFEDSA-N 300.406 2.015 0 40 DEAB C[C@@H](OCC1CC1)C(=O)NCc1ccccc1Cn1ccnc1 64462821 YXUPMMNCKKSOQG-CQSZACIVSA-N 313.401 2.363 0 40 DEAB Cc1ccccc1OCCN(C)C(=O)c1ccc2[nH]nnc2c1 9112405 KOWQNHBOLPTSRY-UHFFFAOYSA-N 310.357 2.417 0 40 DEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1 6168500 JJXNHQHFZWUQCA-GXFFZTMASA-N 311.813 2.082 0 40 DEAB O=C(O)/C=C/c1ccc(S(=O)(=O)NC23CCC(CC2)C3)cc1 14241044 QDUGJRSIKVBVMD-ZZXKWVIFSA-N 321.398 2.395 0 40 DEAB Cc1nc([C@@H]2CN(C(=O)C(C)(C)C3CCCC3)CCO2)no1 96000781 KOFBUQQMDDRGQP-ZDUSSCGKSA-N 307.394 2.494 0 40 DEAB CN(Cc1ccccc1)C(=O)Cn1cnc2sccc2c1=O 8313611 UAQUJTVJLQTYIA-UHFFFAOYSA-N 313.382 2.117 0 40 DEAB C[C@H](O)CN1CCN(Cc2ccc(Cl)c3cccnc23)CC1 71877367 PSSWMKURLFXHGV-ZDUSSCGKSA-N 319.836 2.387 0 40 DEAB CNc1cc(C(=O)Nc2ccc(N(C)C)nc2)cc(Cl)n1 69615601 MJOITVBSNWBSQO-UHFFFAOYSA-N 305.769 2.490 0 40 DEAB CC(=O)[C@@H](NC(=O)CN1CC[C@H](c2ccccc2)C1)C(C)C 69655614 DWWCODSNODVJPZ-WMZOPIPTSA-N 302.418 2.206 0 40 DEAB CC(C)N1CCN(C(=O)[C@@H](C)n2cnc3ccccc32)CC1 71825131 JMWGUDNYIFUZDH-CQSZACIVSA-N 300.406 2.150 0 40 DEAB CCCS(=O)(=O)Nc1c(C(=O)OC)[nH]c2ccc(F)cc12 17918508 WKOYEJBVBQBOMQ-UHFFFAOYSA-N 314.338 2.245 0 40 DEAB CC[C@H]1CN([C@@H](C)c2nc(C3CC3)no2)CCN1CCOC 69842256 USWGLHGSCKDTSJ-JSGCOSHPSA-N 308.426 2.051 0 40 DEAB COC[C@H](C)N1CCN(C(=O)c2ccccc2OC(C)C)CC1 69812314 UQDJGXPWXSVBSJ-HNNXBMFYSA-N 320.433 2.267 0 40 DEAB Cc1sc(-n2cccc2)c(C(=O)NC[C@@H]2COCCO2)c1C 84061963 LTKBNFQUUKRAQM-CYBMUJFWSA-N 320.414 2.301 0 40 DEAB CN(C)C[C@H]1CN(Cc2ccc(Br)s2)CCO1 69969765 PKSFDUBGQXVZPF-JTQLQIEISA-N 319.268 2.273 0 40 DEAB CO[C@@H](CNC(=O)N1CCC[C@@H]1CO)c1cccc(Cl)c1 83897588 RULFSQBLXXVYIO-KGLIPLIRSA-N 312.797 2.194 0 40 DEAB Cc1cc(C(=O)N(C)CCC(=O)O)nn1-c1ccc(F)cc1F 97035950 QSCXVLOCCBLFMO-UHFFFAOYSA-N 323.299 2.006 0 40 DEAB C[C@@H](Cn1cc(Br)cn1)Nc1ccc(C(N)=O)cc1 97162421 FSHCBAQHQRGNJT-VIFPVBQESA-N 323.194 2.245 0 40 DEAB Cc1c(CNC(=O)N[C@@H](C)[C@H](C)Oc2ccccc2)cnn1C 97229997 CAAZVQXXTHKSOC-JSGCOSHPSA-N 316.405 2.384 0 40 DEAB O=c1ccnc2sc(N3CCCC[C@@H]3c3ccco3)nn12 95397848 JUSIEZHYNVEPKV-SNVBAGLBSA-N 302.359 2.476 0 40 DEAB CC(C)(C)c1nnc(CNC(=O)Cc2cccc(O)c2)s1 95412755 RIGARBGFJVPFOX-UHFFFAOYSA-N 305.403 2.400 0 40 DEAB Cc1ccc(OCC(=O)N2CCC[C@@](O)(C(F)(F)F)C2)cc1 98016262 CGMWKHJUJUVPEH-AWEZNQCLSA-N 317.307 2.290 0 40 DEAB CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C)Sc3ccccc32)C1 88221728 HXHFYBUTKKPBAM-YPMHNXCESA-N 304.415 2.382 0 40 DEAB O=C(COc1ccc(Oc2ccccn2)cc1)N1CCOCC1 95947786 XLXDHXCELBOVCJ-UHFFFAOYSA-N 314.341 2.112 0 40 DEAB CCCc1ccc(C(=O)N2CCOC[C@H]2c2ncon2)cc1 95981354 ZTXQDGPJEHUFCM-AWEZNQCLSA-N 301.346 2.236 0 40 DEAB C[C@@H]1CN(C)c2ccccc2CN1c1cnn(C)c(=O)c1Cl 95966059 KRFWIFMNTTWFBY-LLVKDONJSA-N 318.808 2.279 0 40 DEAB COc1ccc(CCN[C@@H]2C[C@H](C)N(C3CC3)C2)cc1OC 95964881 DJPKSGABMKQRFB-DZGCQCFKSA-N 304.434 2.461 0 40 DEAB O=C(NC[C@@H]1CCCS1)N1CCN(c2cccs2)CC1 95965150 VHOMEMMGNLDJLN-LBPRGKRZSA-N 311.476 2.475 0 40 DEAB COc1ccc(CN(C)C(=O)c2cc(C)nn2C)cc1OC 95953137 NKBHLBZTPMQBEV-UHFFFAOYSA-N 303.362 2.018 0 40 DEAB O=C(NCc1ccc(-c2cccnc2)cc1)NC[C@@H](O)C1CC1 74915608 ZDMLZVXIRLOLCH-QGZVFWFLSA-N 311.385 2.319 0 40 DEAB CCOC(=O)C(C)(C)N(C)C(=O)C1(Br)CCC1 75108853 IEXFPTHFSULTLA-UHFFFAOYSA-N 306.200 2.104 0 40 DEAB O=CNc1ccc(C(=O)NC[C@H](O)c2ccccc2Cl)cc1 89813265 IMHZLKJZVICIHE-HNNXBMFYSA-N 318.760 2.372 0 40 DEAB C[C@@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H]1CN(C)CCO1 89894407 YBYADHOEGMJFRY-IUODEOHRSA-N 322.836 2.207 0 40 DEAB CC[C@H](N[C@H](C)c1ccc(OC)c(Br)c1)C(N)=O 75610828 QNEVQVOCYNOCPX-KCJUWKMLSA-N 315.211 2.372 0 40 DEAB C[C@@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccco1 25258219 CHNKKVXANQTSEX-CYBMUJFWSA-N 323.352 2.376 0 40 DEAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2cc[nH]c2C)C3)n1 1550528261 SHNMIVBFMLMQBZ-BLLLJJGKSA-N 300.362 2.208 0 40 DEAB O=C1c2cccn2[C@@H]2CN(Cc3ccncc3)C[C@H]2N1CC1CC1 306137795 RGPINEBKMUOKOB-QZTJIDSGSA-N 322.412 2.174 0 40 DEAB O=C(c1cc(-c2ccco2)on1)N1CCN(c2ccccn2)CC1 36148539 KULKKOOQMWCMBU-UHFFFAOYSA-N 324.340 2.292 0 40 DEAB CCN1CCN(CCCCNC(=O)Nc2ccccc2)CC1 31091891 WDONLHFSWDTLNF-UHFFFAOYSA-N 304.438 2.226 0 40 DEAB Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)c1cccnc1 125589974 ZPDPPCZGBKPLIC-WMLDXEAASA-N 323.396 2.193 0 40 DEAB c1cc(N2CCCCC2)ncc1-c1noc([C@@H]2COCCO2)n1 78774513 QSRLCDOFYBWRQB-ZDUSSCGKSA-N 316.361 2.210 0 40 DEAB CCOC[C@H](O)COc1ccccc1I 193825319 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CSC[C@@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1C 75157299 PCFBMMGVJCZSSL-LBPRGKRZSA-N 323.867 2.041 0 40 DEAB CCc1nc(NC(=O)N(C)C2CC(C)(C)NC(C)(C)C2)nn1C 48327172 FNZJSEPNTDWLHG-UHFFFAOYSA-N 322.457 2.150 0 40 DEAB Cc1ccccc1N1C[C@@]2(CCN(c3cnccn3)C2)CC1=O 96238589 HNEQTHHPYKLFQY-SFHVURJKSA-N 308.385 2.418 0 40 DEAB CCn1ncc2c1CN(Cc1scnc1C)C[C@H]2COC 96044588 LEEOAZYRCLAASC-LBPRGKRZSA-N 306.435 2.414 0 40 DEAB C[C@](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)(C(=O)O)C1CC1 96494284 HWUBBWGUEBGPTL-YNHOBRIKSA-N 309.312 2.438 0 40 DEAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@@H]1CCC[C@H]1CO 96434707 RUMQNVMFIWRJEB-WCQYABFASA-N 318.352 2.294 0 40 DEAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CNC(=O)OC)o1 96433228 QKHMBPIHZVQQPU-AAEUAGOBSA-N 308.378 2.498 0 40 DEAB O=C1OCCN1CCN1CCn2cccc2[C@H]1c1ccccc1 96483269 YKHKSLLMMRWNFQ-QGZVFWFLSA-N 311.385 2.345 0 40 DEAB O=C(c1cnccn1)N1CCC2(CCN(c3ccccn3)CC2)C1 96062870 KDPXHHUQEKXGJG-UHFFFAOYSA-N 323.400 2.004 0 40 DEAB COCc1ccccc1C(=O)NC[C@H](O)c1ccccc1F 96445855 BPZPZPPGMGLVNH-INIZCTEOSA-N 303.333 2.436 0 40 DEAB c1ccc(NCc2cn3c(n2)CN(Cc2cccnc2)CC3)nc1 96197505 CUNBQFDJWOWIQS-UHFFFAOYSA-N 320.400 2.301 0 40 DEAB CN(C)C(=O)CN1CCC[C@@]12CCCN(Cc1cccs1)C2 96214875 MANWXQBPHMCVRI-QGZVFWFLSA-N 321.490 2.267 0 40 DEAB O=C(NC[C@H](O)c1ccccc1Cl)C(=O)Nc1ccccc1 96420295 CSPUOCRWVDPKMI-AWEZNQCLSA-N 318.760 2.128 0 40 DEAB OCCn1ncc(I)c1-c1ccccc1 96527403 PTVIZICYCKUWAH-UHFFFAOYSA-N 314.126 2.147 0 40 DEAB O=C(c1ccco1)N1CCC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 96073527 YSPPTCSYNCGISD-RHSMWYFYSA-N 305.374 2.470 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1ccnc2ccccc12 96041421 HJINCDWNOPKAKH-GVDBMIGSSA-N 312.369 2.253 0 40 DEAB CCc1nnc2n1C[C@@H](NCc1c[nH]nc1-c1ccccc1)CC2 97199501 LBGMHDSIGFBRLJ-HNNXBMFYSA-N 322.416 2.335 0 40 DEAB CCN(Cc1cc(=O)c(O)co1)C[C@@H](O)c1ccc(C)cc1 96441675 UZPUWOWQUOLNRX-MRXNPFEDSA-N 303.358 2.209 0 40 DEAB C[C@H](CNC(=O)N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccsc1 245338636 NKXJFKMIWWTUMS-BPLDGKMQSA-N 324.446 2.441 0 40 DEAB CCN1C(=O)C[C@@H](C(=O)NCCOC)[C@@H]1c1ccccc1Cl 257338145 YWBYIMZHEGUVRX-DOMZBBRYSA-N 324.808 2.012 0 40 DEAB CCCn1nccc1-c1cnc(C[C@@H]2CCN(C(C)=O)C2)cn1 257303299 SGQQVBYXQJOXNF-AWEZNQCLSA-N 313.405 2.161 0 40 DEAB Cc1cccnc1CN1C[C@@H]2OCC(=O)N(c3ccccc3)[C@H]2C1 257239268 HOQBMOPTIPZNAX-ROUUACIJSA-N 323.396 2.006 0 40 DEAB Cc1ccccc1CC(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257289136 PXDCPNATYIWYKG-ZHALLVOQSA-N 316.445 2.032 0 40 DEAB CNc1cc(CC[C@H]2CN(Cc3cc(C)on3)CCO2)ccn1 257304347 SLEZJIGLMAMERS-INIZCTEOSA-N 316.405 2.253 0 40 DEAB O=C(NCCN=c1cc[nH]cc1)[C@@H]1CC[C@@H]1c1ccc(F)cc1 530262709 XTUCPZGVHJMGRE-IAGOWNOFSA-N 313.376 2.365 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](OCc3ccncc3)CS2)C1 575403475 LUDWUPBVXFZKLL-SNPRPXQTSA-N 318.442 2.341 0 40 DEAB O=C(c1cccc(Cl)c1)N1CC[C@@H](Oc2ncccn2)C1 575605324 JOCJUUJIORYWGL-CYBMUJFWSA-N 303.749 2.424 0 40 DEAB NC(=O)c1cnc([C@H]2CCCCN2Cc2cccnc2)s1 585180141 NDJZIFOKIICZHD-GFCCVEGCSA-N 302.403 2.364 0 40 DEAB c1cnc(OC[C@H]2CCn3nccc3CN2C2CCCC2)cn1 585098163 VJYVZEBIJAWMJN-MRXNPFEDSA-N 313.405 2.269 0 40 DEAB O=C(Nc1nncs1)c1ccc(Br)cc1O 44490164 DMOOGTNQGNSXJW-UHFFFAOYSA-N 300.137 2.259 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)NC2(C(=O)O)CCCC2)n1 50364137 GQXXPYYQANJXTP-UHFFFAOYSA-N 311.769 2.381 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)c1cnc2c(c1)ncn2C 95997773 KWXJZTNDWGPPBC-ZDUSSCGKSA-N 324.384 2.474 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN[C@@H]1CCCC[C@H]1C(F)(F)F 95941228 CQMRRQROJZABKU-NXEZZACHSA-N 323.359 2.321 0 40 DEAB Cc1ccc(F)c(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 96412707 XFFPIXBNTJSVCO-CQSZACIVSA-N 320.408 2.365 0 40 DEAB Cc1noc(CNC(=O)N(C)Cc2cc(F)c(F)c(F)c2)n1 96494726 HPUJNFOVNBRACV-UHFFFAOYSA-N 314.267 2.137 0 40 DEAB C[C@@H](CO)NC(=O)C(C)(C)c1ccc(Br)cc1 97392075 MWQFNGPZNCIVKD-VIFPVBQESA-N 300.196 2.224 0 40 DEAB Cn1c(CSCCN2CCOCC2)nnc1-c1ccccc1 89741464 FRTOOUGVQLIAPS-UHFFFAOYSA-N 318.446 2.048 0 40 DEAB CC(C)N(C)S(=O)(=O)Nc1ccc(Br)cc1O 84575520 ZLBYCXXHYKKVOI-UHFFFAOYSA-N 323.212 2.152 0 40 DEAB Nc1nc(=O)c(I)c(C2CCCCC2)[nH]1 16939696 LQMGNTWWTLSWPF-UHFFFAOYSA-N 319.146 2.004 0 40 DEAB CCC[C@H](c1nnnn1CCC(C)C)N1CCN(CC)CC1 19501896 VNWQAOKMQVWCNO-OAHLLOKOSA-N 308.474 2.198 0 40 DEAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(CC)cc2)C1=O 101273892 APTZVNRMGRNUDZ-ZDUSSCGKSA-N 321.398 2.177 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3cc(C)on3)C2)nc1 1888856716 FNEXBNNFQZPORS-OAHLLOKOSA-N 301.394 2.182 0 40 DEAB O=C(O)c1ccccc1NCc1ccc(N2CCOCC2)nc1 15525287 UGMDOOLGONGIPH-UHFFFAOYSA-N 313.357 2.229 0 40 DEAB O=C(COc1ccccc1F)N1CC(Cn2cc(Cl)cn2)C1 1848809125 LUPKBSMEPSJPOD-UHFFFAOYSA-N 323.755 2.213 0 40 DEAB Cn1cc(CC(=O)N2CC(Oc3cccnc3)C2)c2ccccc21 238848157 IUZITDOOFJBUMO-UHFFFAOYSA-N 321.380 2.406 0 40 DEAB COc1cccc(OCC(=O)Nc2ccc3c(c2)CC(=O)N3)c1 9827328 HQDORDLUYXEPDU-UHFFFAOYSA-N 312.325 2.207 0 40 DEAB O=C(Nc1cccnc1)c1ccc(=O)n(Cc2ccc(F)cc2)n1 16848188 JVNOWEPGVXHCBQ-UHFFFAOYSA-N 324.315 2.078 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@H](c2ccccc2)C2CC2)CC1 40480264 PHOIUEJDNZYVOW-OAHLLOKOSA-N 301.390 2.045 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1nnc(C(F)(F)F)s1 31564963 MEFDMCGVNJLVIE-UHFFFAOYSA-N 306.269 2.343 0 40 DEAB Cn1cnnc1-c1cccc(NC(=O)[C@H]2Cc3ccccc3O2)c1 32028610 ZINNHLKOCVRCNP-MRXNPFEDSA-N 320.352 2.424 0 40 DEAB COCCCN1CCN(CCOc2ccc(Cl)cc2)CC1 51562505 HFMMNGWFIUSEBV-UHFFFAOYSA-N 312.841 2.373 0 40 DEAB CCc1cc(NCc2ccnc(N3CCCC3)c2)n2ncnc2n1 51650481 ZOGRFNVGUGZEHR-UHFFFAOYSA-N 323.404 2.294 0 40 DEAB O=S(=O)(CCN1CCO[C@H]2CCCC[C@@H]21)c1ccccc1 51994218 FSTOVBMZSBCFJH-HOTGVXAUSA-N 309.431 2.104 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)c1c(F)cccc1F 102730852 UPROSWQLLMZWKD-COPCRZHJSA-N 309.312 2.282 0 40 DEAB CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3 432773 AKIDQGCPFLJAFS-UHFFFAOYSA-N 324.427 2.232 0 40 DEAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1(C)C 22006599 ZDZCTGOKCYUDHP-GJZGRUSLSA-N 314.433 2.364 0 40 DEAB Cc1cc(C)n(C2CN(Cc3cnn(-c4ccccc4)n3)C2)n1 84102115 YWHKSAJLBLPGKN-UHFFFAOYSA-N 308.389 2.138 0 40 DEAB CNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 571978 LIUZFIFSXSWLEA-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)c1c(C)nn(C)c1C 47024647 FIZLVYRTVKMCTN-UHFFFAOYSA-N 301.390 2.463 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)NC[C@@H]1CCOC1 47067568 WCZBBTHNHAXGTF-VIFPVBQESA-N 317.183 2.220 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 47244836 WCPQVIJSZMHYCK-NXEZZACHSA-N 318.402 2.158 0 40 DEAB CN(CCOc1ccccc1)C(=O)COc1ccc(O)cc1 78808990 IEERHNIQADEGSI-UHFFFAOYSA-N 301.342 2.308 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C(C)C)N1CCCC1=O 79000879 SQCOKGUQFVOTCN-GZBFAFLISA-N 312.479 2.424 0 40 DEAB O=S(=O)(N1CCCCC1)n1nnc2cc3ccccc3cc21 1572973 LCVFBMSAKQLVAH-UHFFFAOYSA-N 316.386 2.163 0 40 DEAB CN1CC[C@@](O)(c2ccccc2)[C@H](CCC(=O)N2CCCC2)C1 1706797 HEPIYVBFOFFFNE-IEBWSBKVSA-N 316.445 2.229 0 40 DEAB Cc1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)nc1 4093180 JLUMWVNXYXLGRF-UHFFFAOYSA-N 309.325 2.200 0 40 DEAB CCOC(=O)C1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 4354065 BDURQXGQVQENRV-KBPBESRZSA-N 310.438 2.051 0 40 DEAB CCn1cc(NC(=O)NC[C@H](C)Cn2nc(C)cc2C)cn1 47500069 USXKVAXBCUSAHF-NSHDSACASA-N 304.398 2.174 0 40 DEAB CCN(CC)S(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 23436035 JUZDVYAHLHRPTI-UHFFFAOYSA-N 307.419 2.113 0 40 DEAB CC[C@H](C)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 12526057 MFUDXTOXAZZWIG-VIFPVBQESA-N 300.380 2.051 0 40 DEAB Cc1nnc(CSc2nnnn2-c2ccc(Cl)cc2)o1 8735129 KHJWALZVRXSFLB-UHFFFAOYSA-N 308.754 2.299 0 40 DEAB CCOC(=O)c1nnc(-c2cccs2)nc1N1CCCC1 1397864 QGEOLHYVLPZRNA-UHFFFAOYSA-N 304.375 2.377 0 40 DEAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)CCn2cnc3ccccc32)C1 24700618 UNDZRHDIACBILJ-OKILXGFUSA-N 321.446 2.344 0 40 DEAB O=C1CCN(C(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)CCN1 107573798 QTDHDOWASMYQKX-DLBZAZTESA-N 308.381 2.292 0 40 DEAB COC(=O)c1ccc([C@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1 62001627 UZAHARYZRYRNPW-VQIMIIECSA-N 322.364 2.398 0 40 DEAB biogenic O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCCCCC1 26954618 QCZJQJMZXQQPGZ-UHFFFAOYSA-N 311.385 2.308 0 40 DEAB COC(=O)C1CCN(c2cc(C)nc(-c3ccncc3)n2)CC1 57825131 XUSHLFPNDPLGJF-UHFFFAOYSA-N 312.373 2.236 0 40 DEAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)Cn1cccn1 58173651 WNGWHUSKQXRNFG-UHFFFAOYSA-N 320.780 2.315 0 40 DEAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1cccnc1 44889627 XHADKEYPRABOGS-AWEZNQCLSA-N 313.357 2.063 0 40 DEAB COc1ccc(CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 95350746 FRLFZBTZDWPLSD-LBPRGKRZSA-N 320.414 2.193 0 40 DEAB COc1cccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)c1 58309185 OLHYTJTZSJMGLL-CALCHBBNSA-N 319.401 2.495 0 40 DEAB COC[C@H](O)CN(C)c1nc(-c2ccncc2)nc2ccccc12 59949369 UJXOPMKUHAYWPK-CQSZACIVSA-N 324.384 2.135 0 40 DEAB C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc(F)cc1Cl 3344188 VPDKGOPIHOVQHO-ZCFIWIBFSA-N 315.761 2.122 0 40 DEAB CCO[C@H](C)c1nc(C(=O)NCCCCC(=O)O)cs1 95425306 DJCIUIVVVZYNDR-SECBINFHSA-N 300.380 2.225 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 48382387 XZGZKNQONOOMCZ-QWHCGFSZSA-N 318.329 2.470 0 40 DEAB COC(=O)c1ccc(CN(C)c2cncc(-n3cccn3)n2)cc1 48326100 MACKOWAWLHVDPM-UHFFFAOYSA-N 323.356 2.085 0 40 DEAB CC[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2C1 3548547 OJEPKTGMVPRGDW-BDAKNGLRSA-N 324.402 2.003 0 40 DEAB CNC[C@@H]1CCN(C(=O)c2ccc(Br)cc2C)C1 71142836 HSIIOXIVLARTNC-NSHDSACASA-N 311.223 2.439 0 40 DEAB COC(=O)[C@H](c1ccccc1C)N1CC[S@@](=O)C(C)(C)C1 97094878 CXHYMHKYVRDAGU-QKKBWIMNSA-N 309.431 2.052 0 40 DEAB Cc1nc(NC(=O)CN2CC(=O)Oc3ccccc32)sc1C 71286786 CWUIGFMHBUMBTE-UHFFFAOYSA-N 317.370 2.124 0 40 DEAB NC(=O)[C@H]1CCCN1c1cnc2cc(Cl)c(Cl)cc2n1 97082345 UZMKOHQZSXYAIW-LLVKDONJSA-N 311.172 2.391 0 40 DEAB CCOC(=O)N1CCN(Cc2nc(-c3ccsc3)no2)CC1 49574769 ZFTRAFPDPWTOFL-UHFFFAOYSA-N 322.390 2.072 0 40 DEAB Cc1cc(C(=O)NCc2cn(C)nc2-c2ccccc2)cc(=O)[nH]1 97083382 DDTZCJMTXDRGPP-UHFFFAOYSA-N 322.368 2.014 0 40 DEAB O=C(NC1CCC(C(=O)O)CC1)c1ccn(C2CCCC2)n1 97035939 NBWSMODDELTFTA-UHFFFAOYSA-N 305.378 2.371 0 40 DEAB CCN1CCC[C@H]1CNC(=O)CCc1nc2ccccc2[nH]1 5210331 WHISCSWJOZTWJH-ZDUSSCGKSA-N 300.406 2.096 0 40 DEAB NC(=O)Cn1cc2c(n1)[C@@H](NCc1cccc(Cl)c1)CCC2 96002667 SNMJBFQMJBTWQR-AWEZNQCLSA-N 318.808 2.189 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCc3ccncc3)C2)n1 72235463 AQPIMHAPRVEYTA-INIZCTEOSA-N 313.405 2.086 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)c2ccnc(C3CC3)n2)no1 72299127 INMFWNLZPRYNQK-LBPRGKRZSA-N 313.361 2.277 0 40 DEAB Cc1nn(C)c(C)c1CNCCCCN1C[C@H](C)O[C@@H](C)C1 67452815 RYPJHTFLCBCDNL-KBPBESRZSA-N 308.470 2.016 0 40 DEAB CC[C@@]1(C)NC(=O)N(CC(=O)c2cc(C)n(C3CC3)c2C)C1=O 7191918 BAGXCPBIJSEFKO-QGZVFWFLSA-N 317.389 2.343 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)NC[C@H]1CCC[C@@H]1O 96434723 IDJDJYYJYIGLLA-HIFRSBDPSA-N 314.389 2.463 0 40 DEAB CCN(C[C@H]1CCOC1)S(=O)(=O)c1ccc2ncccc2c1 72294555 YFTIBTPXTMMFQJ-CYBMUJFWSA-N 320.414 2.282 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 28776084 CGQOPNLSHYHMPQ-UHFFFAOYSA-N 318.398 2.432 0 40 DEAB CCCn1nc(C(=O)N2CCSc3ccccc32)ccc1=O 68730849 YQOVJGPVBYAQLG-UHFFFAOYSA-N 315.398 2.406 0 40 DEAB O=C(CSCC(=O)c1ccccc1)NC[C@@H]1CCCCO1 71849921 HMPGWHXGMMXTPV-AWEZNQCLSA-N 307.415 2.288 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H](n2cccn2)C1 69371210 SJEOHFJYABUISH-NSHDSACASA-N 308.769 2.239 0 40 DEAB Fc1ccc(-c2nnc(COn3nnc4ccccc43)o2)cc1 8344296 RCQXJLYFBHRVAL-UHFFFAOYSA-N 311.276 2.249 0 40 DEAB Cc1nc([C@@H]2CCCN2c2ncc(Br)cn2)no1 84281088 ZUIFEHKFFGHEAK-VIFPVBQESA-N 310.155 2.272 0 40 DEAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@@H](n2cccn2)C1 69432504 SZPHAPJNJIUNAO-HZPDHXFCSA-N 311.385 2.298 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 71921202 YCIKTLKRAQTGJD-FZMZJTMJSA-N 317.307 2.288 0 40 DEAB CCOCCN1CCN(CCOc2c(C)cccc2C)CC1 69627556 FYPPODZPIQJWMJ-UHFFFAOYSA-N 306.450 2.336 0 40 DEAB Cc1ccc(-c2nc(C(=O)N3CCC[C@@H](C(N)=O)C3)cs2)o1 69737315 UEBQBJIXBMMJPA-SNVBAGLBSA-N 319.386 2.049 0 40 DEAB Brc1cccc(-c2noc(Cn3cncn3)n2)c1 69744364 CXYBRDSFTIVZAQ-UHFFFAOYSA-N 306.123 2.139 0 40 DEAB COC(=O)[C@](C)(O)CNc1ncc(C(F)(F)F)cc1Cl 97146528 IUEWHYOJRZRCQU-SNVBAGLBSA-N 312.675 2.090 0 40 DEAB O=[S@@](CCn1cccn1)Cc1ccc(OC(F)F)cc1 95423248 CVCRJGNNENUAOZ-HXUWFJFHSA-N 300.330 2.433 0 40 DEAB O=C(c1ccn2cncc2c1)N(CCO)Cc1ccsc1 95441451 RRBNMTOHAHVHNC-UHFFFAOYSA-N 301.371 2.031 0 40 DEAB C1CCN(c2nc(NC3CC3)nc(N3CCCCC3)n2)CC1 95446205 NXVUTOOWTYOLTM-UHFFFAOYSA-N 302.426 2.427 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCc1cscn1 88269108 ZSIBEDLIIHRUSN-QWHCGFSZSA-N 310.419 2.314 0 40 DEAB Cn1nccc1CNc1ccccc1N1CCC(CO)CC1 95995859 QQVCLERJOMSQLE-UHFFFAOYSA-N 300.406 2.241 0 40 DEAB O=C(N[C@H]1CCC[C@@H](C(=O)O)C1)c1c(Cl)nc2ccccn12 95991874 UKZNOGIBWCTPES-ZJUUUORDSA-N 321.764 2.361 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)[C@@H]1C[C@@H]1c1ccccc1 95954616 PZESRZWRHHHQGR-DRPJVOAASA-N 300.402 2.163 0 40 DEAB O=C(Nc1ccc(F)c(Br)c1)N1CC[C@@H](O)C1 95964847 LBHFSKXEKPLBKU-MRVPVSSYSA-N 303.131 2.187 0 40 DEAB Cc1cccc(CC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c1 95980371 KFFKYVMVOADOSH-INIZCTEOSA-N 313.401 2.478 0 40 DEAB O=C(CCC(F)(F)F)Nc1c[nH]cc(Br)c1=O 89990701 DPXJOBZYRWMLPU-UHFFFAOYSA-N 313.073 2.418 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1cccn1Cc1cccs1 89938693 YOKORPNATXMBRU-ZDUSSCGKSA-N 303.431 2.374 0 40 DEAB CCn1nc(C)c(C(=O)N[C@@H]2CCCc3nc(C)ncc32)c1C 72243039 CDNXZCCHYCSNSK-OAHLLOKOSA-N 313.405 2.426 0 40 DEAB CCO[C@H](C)c1nc(CN2CCN(C(=O)C3CC3)CC2)cs1 76716443 DYWJPXJIAQAGGW-GFCCVEGCSA-N 323.462 2.295 0 40 DEAB CCN(CC)c1ccc(NS(=O)(=O)c2cnn(C)c2)cc1 78556802 KZNJCEGPHDVJCQ-UHFFFAOYSA-N 308.407 2.067 0 40 DEAB Cc1cc(C)cc([C@@H]2CCCN2C(=O)CCS(C)(=O)=O)c1 79349749 SLARFOYTQRJXLR-HNNXBMFYSA-N 309.431 2.402 0 40 DEAB CCN(C(=O)[C@@H](N)C(C)C)C1CCN(Cc2ccccc2)CC1 79404661 VBWANAQINFAGIP-SFHVURJKSA-N 317.477 2.483 0 40 DEAB O=C(O)CN1CCC(CN(Cc2ccccc2)C2CC2)CC1 79416280 LIHKCJSCAHBOME-UHFFFAOYSA-N 302.418 2.448 0 40 DEAB CC(C)CNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241437 MIBPSBHZYFONKA-LSDHHAIUSA-N 324.808 2.011 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)CCOc1ccccc1F)C2 72279149 XRVDXFFURDCZFF-ZDUSSCGKSA-N 317.364 2.231 0 40 DEAB O=C(c1cnn2c1CCCC2)N1CCCCC[C@@H]1c1ncon1 189570605 FMZFEVBRHXGGOO-CQSZACIVSA-N 315.377 2.360 0 40 DEAB CC(C)(C)OC(=O)[C@H]1Cc2nc(Br)sc2CN1 71257046 INXLAAZKCHACTL-SSDOTTSWSA-N 319.224 2.262 0 40 DEAB c1ccc(CCN2CCn3c(nnc3[C@@H]3CCCCN3)C2)cc1 72374070 QSNLDYDBBJPWCU-INIZCTEOSA-N 311.433 2.151 0 40 DEAB COc1ccc(NC(=S)NCCCN2CCC(C)CC2)cn1 225438143 UYZGKZXJASEETD-UHFFFAOYSA-N 322.478 2.499 0 40 DEAB Cc1cnc2cc(C(=O)NC3CCN(CC(C)C)CC3)ccn12 572255133 CJAPABUGGYXJLS-UHFFFAOYSA-N 314.433 2.493 0 40 DEAB CCOc1ccccc1NC(=O)NCc1ccnc(N(C)C)n1 224238401 SKAQVXSQMOKYNY-UHFFFAOYSA-N 315.377 2.263 0 40 DEAB Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)c(N(C)C)n1 96484542 LRFDOOBORWKLDZ-GXTWGEPZSA-N 306.410 2.081 0 40 DEAB O=C(Cc1ccc2c(c1)OCC2)NCCc1nc2ccccc2[nH]1 95474924 NSNCQLSSDODFPD-UHFFFAOYSA-N 321.380 2.399 0 40 DEAB COC(=O)CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 96404698 MEQKCWJJVVGFPK-VHSXEESVSA-N 302.157 2.386 0 40 DEAB CCc1cnc(CN(C)S(=O)(=O)c2ccc(OC)cc2)o1 96428811 STNSBOOEAGNIAJ-UHFFFAOYSA-N 310.375 2.066 0 40 DEAB CN(C)C(=O)N1CCC[C@]2(CCN(c3ccsc3)C2=O)C1 96048772 SJIHQOIVSLXKRB-HNNXBMFYSA-N 307.419 2.249 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@H]1Cc2ccccc21 95401623 JTCMPTBGFAGLQH-SFHVURJKSA-N 321.376 2.454 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2cccc3ncccc23)cn1C 95478060 POXBTTVQLXDTDF-UHFFFAOYSA-N 323.352 2.259 0 40 DEAB O=C(O)c1cnc(N2CCCC2)nc1COc1ccc(F)cc1 96182428 XQYCOMYIQUSONS-UHFFFAOYSA-N 317.320 2.493 0 40 DEAB CC[C@@](C)(CC(=O)O)NC(=O)c1coc(Br)c1 97228687 MFQLUEFRCOSZEG-NSHDSACASA-N 304.140 2.415 0 40 DEAB CC[C@@H](SCc1noc(-c2ccc(OC)cc2)n1)C(N)=O 96403420 BVOFCZFUFAJDQA-LLVKDONJSA-N 307.375 2.242 0 40 DEAB C[S@](=O)c1ccc(CN[C@H](CO)c2ccccc2F)cc1 96461190 IIIKKPDHJGJZJL-IIBYNOLFSA-N 307.390 2.386 0 40 DEAB Cc1cnc(N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)nc1 96184127 JJIYKNSUTNCVCU-QWHCGFSZSA-N 300.387 2.231 0 40 DEAB CCCC(=O)Nc1ccc2c(c1)O[C@@](C)(C(=O)OCC)C(=O)N2 96182284 BGFMYLAMTSCPAY-MRXNPFEDSA-N 320.345 2.078 0 40 DEAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1NC(=O)c1ncoc1C(C)C 245343900 WJOZJMWSUZJZMI-NNYUYHANSA-N 306.362 2.116 0 40 DEAB Cc1nn2cccnc2c1C(=O)O[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C 248020510 IQHAHLSGNOGCIQ-MRVWCRGKSA-N 315.373 2.398 0 40 DEAB O=C(c1cc(F)cc(F)c1)N1CCC[C@H](c2ccnc(O)n2)C1 257207501 BIALTNXHXIJRAJ-JTQLQIEISA-N 319.311 2.480 0 40 DEAB CN(c1cnccn1)[C@@H]1CC[C@@H]2CN(CC3CCOCC3)C[C@@H]21 257257295 KOXWNZVWAWUUGI-IXDOHACOSA-N 316.449 2.050 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H](c3ncn4ccsc34)C2)no1 257275128 NOAAIUDYZLATFT-SNVBAGLBSA-N 302.359 2.322 0 40 DEAB Cc1cn(C)c([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 257241335 HXRUAWWOMIIYIP-AWEZNQCLSA-N 316.405 2.282 0 40 DEAB CN(C)c1cc(N2C[C@H]3CC[C@H](Cc4ncccn4)[C@H]3C2)ncn1 257209650 BRIGIGZKYZMVCX-RBSFLKMASA-N 324.432 2.038 0 40 DEAB C[C@H]1C[C@H](C(=O)O)CN(Cc2cc3ccccc3nc2O)C1 263012792 CEFBWUGINWPQEX-FZMZJTMJSA-N 300.358 2.483 0 40 DEAB COc1cc(N[C@@H]2CCCN([C@H](C)C(=O)O)C2)cc(OC)c1 262816765 ZKCUFRKGJVPXFR-VXGBXAGGSA-N 308.378 2.053 0 40 DEAB CCOC(=O)CN(C(=O)[C@@H]1CSCCS1)C(C)(C)C 390835762 XVEYWJSEJKTGDA-JTQLQIEISA-N 305.465 2.025 0 40 DEAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)Cc3ccccn3)C[C@@H]21 585110018 VTGMDXUHPIHXEJ-CZUORRHYSA-N 322.412 2.336 0 40 DEAB Cc1cc(C)c2nc(O)c(CNC[C@@H](O)COC(C)C)cc2c1 585291803 DDDFTYYSVWUPLD-MRXNPFEDSA-N 318.417 2.433 0 40 DEAB O[C@]1(COc2cccc(F)c2)CCN(CC2CCOCC2)C1 585269172 LCBUUANYXSUBJW-QGZVFWFLSA-N 309.381 2.068 0 40 DEAB COc1cccc(CN2CC(F)(F)C[C@@]3(CCNC3=O)C2)c1 585093147 FEQGYFUDKQMGNO-HNNXBMFYSA-N 310.344 2.043 0 40 DEAB Cc1nccc([C@H]2CCCN(Cc3ncnn3C(C)C)C2)n1 585079615 PYOWWKGMKGNNPR-AWEZNQCLSA-N 300.410 2.337 0 40 DEAB Cc1csc(-c2cccc(NC(=O)[C@H]3CCC(=O)N3)c2)n1 69744109 FTHYFQFGCSIYIW-GFCCVEGCSA-N 301.371 2.336 0 40 DEAB CCCCc1noc([C@@H](C)N2CCC(NC(=O)C3CC3)CC2)n1 30287324 KPBUEBYQRIOYAF-GFCCVEGCSA-N 320.437 2.464 0 40 DEAB Cc1ccc2cccc(OCCCS(=O)(=O)N(C)C)c2n1 69876768 AGGQSPZJJNRSEQ-UHFFFAOYSA-N 308.403 2.204 0 40 DEAB OCCCN(CCO)Cc1cc(Br)ccc1Cl 71903165 GWNBHWPCLJUFBD-UHFFFAOYSA-N 322.630 2.279 0 40 DEAB CCCCN(CC(N)=O)C(=O)c1cc(-c2ccccc2)on1 45909762 UOLCGXJKMRUBSZ-UHFFFAOYSA-N 301.346 2.069 0 40 DEAB CCCCO[C@@H](C)C(=O)NCc1cccnc1-n1cccn1 48354803 KADKLOFNTOXRSH-ZDUSSCGKSA-N 302.378 2.089 0 40 DEAB Brc1cnn(-c2ncncc2Br)c1 85467415 RLDWALMRQOLFPG-UHFFFAOYSA-N 303.945 2.187 0 40 DEAB Cc1cnc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cn1 40553553 VQHQSQLCVTZGNZ-NSHDSACASA-N 310.357 2.161 0 40 DEAB C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 95442423 FSXSGWHLQIMQKK-GWCFXTLKSA-N 303.811 2.264 0 40 DEAB CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)Cc1cccc(Cl)c1 13676220 MVNUPJPUKYBLMI-ZIAGYGMSSA-N 317.838 2.405 0 40 DEAB Cc1nc(-c2ccc(CN3C(=O)CNC3=S)s2)cs1 14135806 IFNVGHIWAVXZNK-UHFFFAOYSA-N 309.441 2.397 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)CNC(=O)NCc1ccc(F)cc1 14302529 LNZXHQXUNWWCSA-SWLSCSKDSA-N 321.396 2.320 0 40 DEAB CCCc1nnc2sc(NC(=O)c3ccc(OC)cc3)nn12 15674549 ZHOMYCOYUIGNSN-UHFFFAOYSA-N 317.374 2.399 0 40 DEAB COc1ccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)cc1 16598083 ABNIFIMZJYNNEG-UHFFFAOYSA-N 302.374 2.282 0 40 DEAB CCC(=O)N(C)C1CCC2(CC1)CNC(=O)c1ccccc1O2 19498379 RKRIMPSUTIBAQF-UHFFFAOYSA-N 316.401 2.359 0 40 DEAB CN1CCC(NC(=O)COc2ccc3c(c2)CCCC3)CC1 157364487 XACAHMKQQAUHDU-UHFFFAOYSA-N 302.418 2.155 0 40 DEAB COc1ccc(N2C[C@@H](CNC(=O)C(C)(C)C)CC2=O)cc1 8925166 BNFOIGPEJUZSGL-GFCCVEGCSA-N 304.390 2.210 0 40 DEAB O=c1/c(=C/c2ccccc2)sc2nc(-c3cccs3)nn12 124337 CAVDBZQNRXRGQK-XFXZXTDPSA-N 311.391 2.427 0 40 DEAB COc1ccc(CN(C)CCN2C(=O)c3ccccc3C2=O)cc1 7682564 RJOZFXRLZJXYQY-UHFFFAOYSA-N 324.380 2.423 0 40 DEAB O=C([C@@H]1CN(Cc2ccc(F)c(F)c2)CCO1)N1CCCCC1 1888906315 YDKGVUFXDJWHCW-INIZCTEOSA-N 324.371 2.178 0 40 DEAB CSCC[C@H](O)CNS(=O)(=O)c1c(C)cc(C)cc1C 1775967140 GXJLXVOAELBYFP-ZDUSSCGKSA-N 317.476 2.004 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N2CCC(N(C)C)CC2)n1 50165435 GOQDLNSLHCSWGK-UHFFFAOYSA-N 310.829 2.420 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C)cc2)C1 40160903 PABDENXNAAZIFO-AWEZNQCLSA-N 305.374 2.176 0 40 DEAB CCNC(=O)[C@@H]1CCN(CCOC)[C@@H]1c1ccc(Cl)cc1 40488299 DQPBOCTZDDRXQA-HUUCEWRRSA-N 310.825 2.486 0 40 DEAB CCc1cccc(NC(=O)NCCCN2CCN(C)CC2)c1 40477746 RVXWLHFFRJFWNF-UHFFFAOYSA-N 304.438 2.008 0 40 DEAB CCOC(=O)C[C@H](NC(=O)NC(C)C)c1cccc(OC)c1 40556032 YYWMHGCOWBISLQ-AWEZNQCLSA-N 308.378 2.397 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1C 101211948 GKLQGBCMLNLWKC-PYTWLRIVSA-N 324.380 2.049 0 40 DEAB O=C1CCCc2cc(S(=O)(=O)NC3CCCC3)ccc2N1 21531893 PHXDJBOPANDNKR-UHFFFAOYSA-N 308.403 2.182 0 40 DEAB CN(C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1ccsc1 32816921 CVJJQOSOJNFNDH-CQSZACIVSA-N 315.398 2.054 0 40 DEAB COc1ccccc1NCC(=O)Nc1ccc(C(=O)O)cc1 87165 PHSSIRMMFYZXPU-UHFFFAOYSA-N 300.314 2.444 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(Cn2cccn2)cc1 41907786 SBMQPXGGCDSMPH-UHFFFAOYSA-N 323.400 2.212 0 40 DEAB CN1CCO[C@H](CNCc2ccc(Cl)c3cccnc23)C1 78783605 CUPNPRMSLXAWKQ-CYBMUJFWSA-N 305.809 2.308 0 40 DEAB CS(=O)(=O)CCNC(=O)c1cc2c(s1)CCCCCC2 42092971 RXIUMOOYBAFZFW-UHFFFAOYSA-N 315.460 2.182 0 40 DEAB O=C1CN(c2nc(-c3ccsc3)nc3ccccc23)CCN1 22805305 XJTZZXJWYBBAGA-UHFFFAOYSA-N 310.382 2.295 0 40 DEAB CC(C)CO[C@H](C)C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 42396927 SZHSGTCJHPEFLE-VXGBXAGGSA-N 320.389 2.256 0 40 DEAB CC(=O)Nc1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 6455824 VRBMFTHOXXVRCP-ZQIUZPCESA-N 320.433 2.363 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)Cc1cccc2cccnc12 54519741 XQGMLEVNHFGRBS-UHFFFAOYSA-N 313.401 2.150 0 40 DEAB Cc1csc(N2CCN(C[C@H](O)c3ccccc3)CC2)n1 47891071 GMJCQNQWBKGXMW-HNNXBMFYSA-N 303.431 2.307 0 40 DEAB Cc1cccc(NC(=O)CCS(=O)(=O)Cc2ccccc2)n1 10620741 ZBTKQPZEGYNSQW-UHFFFAOYSA-N 318.398 2.334 0 40 DEAB Cc1nnc2n1C[C@@H](CNCc1ncc(C(C)(C)C)o1)CC2 95364968 LCAAAYYCKCIJSR-GFCCVEGCSA-N 303.410 2.224 0 40 DEAB Cc1ccc(C(=O)NCC(=O)N[C@H](C)CCc2ccco2)cc1 25390224 FXKOPNZAWJWDHI-CQSZACIVSA-N 314.385 2.455 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100376649 QLDBIMFBXSTJIF-BJDJZHNGSA-N 309.243 2.148 0 40 DEAB COc1ccc(OC)c(CNC(=O)c2c(C)nn(C)c2Cl)c1 27503584 VHMFXGAVYRCPGM-UHFFFAOYSA-N 323.780 2.329 0 40 DEAB O=C(NCCc1ccc(O)cc1)c1ccc(Cn2cccn2)o1 27981243 XAFVJSKZIRYXNW-UHFFFAOYSA-N 311.341 2.203 0 40 DEAB Cc1occc1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 10968739 DPUZMBHGYMVWMH-SNVBAGLBSA-N 307.371 2.483 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)cc1C 11049134 RIIKOZMRSMOBKM-UHFFFAOYSA-N 314.389 2.027 0 40 DEAB CCNCC(=O)Nc1cc(C(F)(F)F)ccc1OCCOC 2643979 CDBGWZUTFURIPQ-UHFFFAOYSA-N 320.311 2.279 0 40 DEAB Cn1c(C2N3CC4(C)CN2CC(C)(C3)C4=O)cc2ccccc21 19325185 RWWMMLQDGONUAS-UHFFFAOYSA-N 309.413 2.403 0 40 DEAB O=C(O)CCC(=O)Nc1ccn(Cc2ccccc2Cl)n1 28226793 MJZZBLGSSSDLKR-UHFFFAOYSA-N 307.737 2.388 0 40 DEAB O=S1(=O)CC[C@H](NC(=S)Nc2ccc3ccccc3c2)C1 5033544 GCCNVCPDRHLNBJ-AWEZNQCLSA-N 320.439 2.313 0 40 DEAB Brc1cncnc1N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 97016696 ZPLAERYVJQXBCJ-DMDPSCGWSA-N 323.238 2.160 0 40 DEAB Cc1cc(N)nc(S[C@@H]2CCN(c3ccccc3)C2=O)n1 68044424 RLZAFCZAKKQFKN-GFCCVEGCSA-N 300.387 2.265 0 40 DEAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@@H]1CCOC1 65591052 MSOHSNUHCGIBFG-ZIAGYGMSSA-N 305.374 2.102 0 40 DEAB COc1cccc(N2CC[C@H](CNC(=O)N3CCCC3)C2)c1 65589902 GBEUXESHHAMVBA-CQSZACIVSA-N 303.406 2.327 0 40 DEAB COc1cccc(-c2cc(C(=O)NCc3cccnc3)n[nH]2)c1 6736853 FHWFXFAUQFIYAQ-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccco2)n1C 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0 40 DEAB COc1cccc([C@H]2CNC[C@H]2c2cc(O)n3nc(C)cc3n2)c1 12337677 ADOFWPCCWUFDTL-HUUCEWRRSA-N 324.384 2.223 0 40 DEAB COc1ccc(NC(=O)[C@H]2C(=O)NC[C@@H]2C(C)(C)C)c(C)c1 585149509 CATKESRFYIFXBX-GXTWGEPZSA-N 304.390 2.350 0 40 DEAB O=C(c1ccc(OC2CCCC2)nc1)N1CCn2nccc2C1 238952846 XHPCVCLWSMYGSG-UHFFFAOYSA-N 312.373 2.256 0 40 DEAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 1516574 PDGWHCFWRUQZID-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB CCCNC(=O)Cn1cnc(-c2ccc(Cl)cc2)cc1=O 23231119 IDGDRUVBDIHPHT-UHFFFAOYSA-N 305.765 2.090 0 40 DEAB CC(C)(C)c1cc(NC(=O)c2nc(-c3cnccn3)no2)on1 42381585 JAJFWAIDRCWOSI-UHFFFAOYSA-N 314.305 2.064 0 40 DEAB CN(Cc1cccnc1)C(=O)CCc1nc(-c2cccnc2)no1 40086498 FZESRXRVWWKFEO-UHFFFAOYSA-N 323.356 2.118 0 40 DEAB Cc1cc(C(=O)NCc2ccc(N3CCCCC3)nc2)on1 40541106 MGIYKTAGUCCQDN-UHFFFAOYSA-N 300.362 2.298 0 40 DEAB Cc1cccc(CNC(=O)NCc2nnc3n2CCCCC3)c1 40501023 OYAHUDYJVLHGRC-UHFFFAOYSA-N 313.405 2.312 0 40 DEAB Cc1nc(CCNC(=O)CSCc2ccccn2)cs1 40555368 KYHRXQLNRIKEEY-UHFFFAOYSA-N 307.444 2.439 0 40 DEAB O=C(NC[C@H]1CCCO1)C1CCN(Cc2ccc(F)cc2)CC1 317457 BEEHJXFUYQZTJR-QGZVFWFLSA-N 320.408 2.333 0 40 DEAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(=O)[nH]c21 12396425 CWVRLTNNSYCHSG-UHFFFAOYSA-N 311.288 2.103 0 40 DEAB CC[C@@H]1Oc2cc([C@H](C)NC(=O)NC3CC3)ccc2NC1=O 78950692 XXZWGYQLZHCMKM-ZANVPECISA-N 303.362 2.319 0 40 DEAB COc1ccccc1C[C@@H](C)N(C)C(=O)NCc1cnn(C)c1 78940578 YNFICTANGYVFPC-CYBMUJFWSA-N 316.405 2.201 0 40 DEAB CC1(C)CN(C(=O)CCCOCc2ccccc2)CC[S@]1=O 79070873 LXUNZKWWAVZZQT-QFIPXVFZSA-N 323.458 2.353 0 40 DEAB CC[C@@H](CNC(=O)c1cc(C)n(C)n1)Oc1cccc(F)c1 84561165 OMPABAAZQAAZHC-ZDUSSCGKSA-N 305.353 2.455 0 40 DEAB CS(=O)(=O)N[C@@H](COc1ccccc1F)c1ccccc1 47542227 BDHOYTZTACMKEH-AWEZNQCLSA-N 309.362 2.495 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCCc1ccc(F)cc1 101781679 KPKFEUXVAGLCGA-NEBZKDRISA-N 303.333 2.007 0 40 DEAB Cc1[nH]c(C(=O)O[C@@H]2C[C@H](C)OC2=O)c(C)c1C(=O)OC(C)C 95377698 WTXPWIYVDBNRFB-GZMMTYOYSA-N 323.345 2.058 0 40 DEAB O=C(C[C@@H]1C=CCC1)NC[C@H]1CN(Cc2ccccc2)CCO1 105707544 BMNZIIGZYXDKGC-AEFFLSMTSA-N 314.429 2.360 0 40 DEAB CN1CCN(C(=O)/C=C/c2ccc(Br)cc2)CC1 55075692 SOFQZYDBEYWNQQ-QPJJXVBHSA-N 309.207 2.236 0 40 DEAB CC(=O)Nc1ccc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc1 1408212 LACMBMGSHPYSSX-OAHLLOKOSA-N 320.356 2.491 0 40 DEAB C[C@H](Nc1ccc(F)cc1)C(=O)Nc1ccc(C(N)=O)cc1 25424840 DDCXNIZNSQWNSI-JTQLQIEISA-N 301.321 2.364 0 40 DEAB COC(=O)c1sc(Cl)cc1S(=O)(=O)NC1CCCC1 20134853 DILFYGHPJBIVNS-UHFFFAOYSA-N 323.823 2.409 0 40 DEAB COc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C[C@@]2(C)CC1=O 100113077 BMYHFWLOJVCQEQ-DTDBQYNISA-N 313.353 2.190 0 40 DEAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ncccn2)cc1F 58156431 NPUYXGKLEYYUFH-LLVKDONJSA-N 318.352 2.083 0 40 DEAB Cc1csc(CNC(=O)N2CCN(c3ccccc3)CC2)n1 44895239 VUKZOKDPZWFYIL-UHFFFAOYSA-N 316.430 2.483 0 40 DEAB Cc1ccc(CN2CCO[C@@H]3[C@@H](COCCN(C)C)CC[C@H]32)o1 107747110 AUVLPZCVMAQXIR-KBAYOESNSA-N 322.449 2.146 0 40 DEAB Cc1nc(NC(=O)Nc2ccc(CS(C)(=O)=O)cc2)oc1C 58214072 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48545691 LBLCWYHIYCPVOT-UHFFFAOYSA-N 324.412 2.408 0 40 DEAB Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2O)c2cnn(C(C)C)c2n1 84083461 GOTQHERNSKXXQY-GJZGRUSLSA-N 316.405 2.354 0 40 DEAB C[C@H](OC(=O)c1ccccc1Br)C(=O)NC1CC1 5059197 MEQZHLFVKBKEIJ-QMMMGPOBSA-N 312.163 2.273 0 40 DEAB O=C(Nc1nccs1)C1CCN(C(=O)c2cccnc2)CC1 29753803 GGHXXBFTIQBLSF-UHFFFAOYSA-N 316.386 2.029 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccoc2)c(OC)c1 14020189 VTDBSTIRDNXFIV-UHFFFAOYSA-N 305.286 2.092 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)CN1CCCCC1)[C@@H]1CCOC1 65501254 WTCRKOAUNSHNON-MSOLQXFVSA-N 316.445 2.236 0 40 DEAB Cc1noc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)n1 65608751 QNOMZSJDMWDNBB-UHFFFAOYSA-N 311.345 2.062 0 40 DEAB CC(C)Cc1ncc(CNC(=O)N2CC[C@@H]([C@@H](C)O)C2)s1 97108052 IIUAMTPTUXTQNU-VXGBXAGGSA-N 311.451 2.254 0 40 DEAB O=C(NCC1CCCCC1)[C@@H]1CCCN1Cc1ccc(CO)o1 93765117 KHPDTVHMYQEZLU-KRWDZBQOSA-N 320.433 2.433 0 40 DEAB C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)C1CC1 7120784 PMSWORQGZXDKFO-JTQLQIEISA-N 320.393 2.413 0 40 DEAB CCOc1ccccc1CN1CCC(N2CCN(C)CC2)CC1 19877309 BAQBNHHWXRGKPC-UHFFFAOYSA-N 317.477 2.297 0 40 DEAB CCN1CCC[C@H](CNC(=O)NCc2cc(F)cc(OC)c2)C1 94058601 KPONRHPMDJKUBR-CYBMUJFWSA-N 323.412 2.365 0 40 DEAB COc1ccccc1CC(C)(C)NC(=O)c1ccc(=O)n(C)c1 71847670 ILLFGWWFXHJQPP-UHFFFAOYSA-N 314.385 2.145 0 40 DEAB Cc1ccc2c(CC(=O)N3C[C@@H](C(N)=O)CC[C@@H]3C)coc2c1 71830233 VGRYEJGIGNWUPC-STQMWFEESA-N 314.385 2.396 0 40 DEAB NC(=O)CC1CCN(C(=O)CCCOc2cccc(F)c2)CC1 71819877 VFSVKAHYWSCKHL-UHFFFAOYSA-N 322.380 2.099 0 40 DEAB O=C(O)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 91292560 YCWYOMSPDYQWLU-SECBINFHSA-N 318.156 2.309 0 40 DEAB C[C@@H](Sc1n[nH]c(N)n1)c1nnc(-c2ccc(F)cc2)o1 8292555 HAUVFJRNVNYLCS-ZCFIWIBFSA-N 306.326 2.429 0 40 DEAB CCOC(=O)[C@H]1CCCN(Cc2cn3cccc(C)c3n2)C1 8228393 YWIIHWWHBNHFIH-AWEZNQCLSA-N 301.390 2.418 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)c1 69487617 BWUAQRIADHEGDH-MRXNPFEDSA-N 315.421 2.259 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCc2cnc(N3CCCC3)nc2)c1 69463767 LUXKYSZNDKPHBF-HUUCEWRRSA-N 314.437 2.321 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCc3nccn3C2)s1 72280504 YZWKIWICQOLRIE-JHJVBQTASA-N 301.415 2.488 0 40 DEAB Cc1cccn2cc(CN3CCCC[C@H]3Cn3cncn3)nc12 69709354 MHDVKAPZCXJPTL-INIZCTEOSA-N 310.405 2.289 0 40 DEAB COCCCN1CCCN(C(=O)c2ccc(F)c(C)c2)CC1 69875927 LCCPCTZCGQWEQI-UHFFFAOYSA-N 308.397 2.319 0 40 DEAB O=S(=O)(Cc1ccccc1F)NCC[C@H](O)c1ccccc1 95433286 DXUHSLNNTITWMP-INIZCTEOSA-N 323.389 2.369 0 40 DEAB Cc1nc(-c2cccc(NCc3ccc(C(=O)N(C)C)[nH]3)c2)n[nH]1 95431263 JRIPTFAJKDDXHV-UHFFFAOYSA-N 324.388 2.422 0 40 DEAB c1cc(CNCc2ccc(-n3cccn3)nc2)c2[nH]ncc2c1 95409409 KITRYTVQBBSEIS-UHFFFAOYSA-N 304.357 2.433 0 40 DEAB O=C(Cc1ccc(Cl)c(Cl)c1)N1CC(n2ccnn2)C1 95997939 KEOCAMUQPWELLI-UHFFFAOYSA-N 311.172 2.211 0 40 DEAB O=C(NCCOc1ncccc1Cl)NCc1ccccn1 89883737 HJKMCTLOPTUCQJ-UHFFFAOYSA-N 306.753 2.008 0 40 DEAB CCCCn1c(S[C@H](C)C(=O)NC(=O)NC)nc(C)c1C 25051328 KTTXLVLAMXXZSF-LLVKDONJSA-N 312.439 2.236 0 40 DEAB 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AXFWKKXARVDIMQ-OAHLLOKOSA-N 303.406 2.238 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](c2cnccn2)C1 257292155 QKFVKUJLJIVBBB-CYBMUJFWSA-N 309.373 2.164 0 40 DEAB CC(=O)N1CCC(N2CCC[C@H]2CCc2ccncc2)CC1 257267197 MGIJYPOLZIZNNS-KRWDZBQOSA-N 301.434 2.490 0 40 DEAB Cc1cc(CC[C@H]2CN(CC3(O)CCCCC3)CCO2)ncn1 257290832 QEMZBCMOWRQYPC-KRWDZBQOSA-N 319.449 2.114 0 40 DEAB CC(C)N1C(=O)CN(Cc2ccc(C(=O)O)cc2)CC1(C)C 455629959 RVDOENHSNUGXMB-UHFFFAOYSA-N 304.390 2.216 0 40 DEAB Cn1cc(C(=O)NCCc2ccc(-c3ccoc3)s2)nn1 390828185 AFPRVJVXBWFEIG-UHFFFAOYSA-N 302.359 2.109 0 40 DEAB Cc1cccc(OCCCN2C(=O)N[C@@]3(CCSC3)C2=O)c1 26397973 LXYOTRXUGKIOQM-MRXNPFEDSA-N 320.414 2.191 0 40 DEAB CC[C@@H]1CCCCN1C(=O)CN1CCN(C2CCCC2)CC1 45768033 ROYNOVQMKHDDFL-MRXNPFEDSA-N 307.482 2.338 0 40 DEAB C[C@@H](NC(=O)Nc1ccc(N2CCOC2=O)cc1)[C@@H]1CCCO1 56767119 PPGBNHVXBOMANY-RISCZKNCSA-N 319.361 2.332 0 40 DEAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@H]2COCCO2)cc1 55701318 IDMVMOFKENBNRS-RHSMWYFYSA-N 321.417 2.327 0 40 DEAB CCCCNC(=O)c1ccc(CNc2nccn3cnnc23)cc1 95404335 SOMKGHBXMHJBHZ-UHFFFAOYSA-N 324.388 2.266 0 40 DEAB CC(=O)NCCCNCc1cc(F)ccc1Br 95445233 YGHXKWJNDRRXOC-UHFFFAOYSA-N 303.175 2.204 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C)Cc1cc(Cl)cc2c1OCC2 96501704 KVJBISPZFDOLQS-JTQLQIEISA-N 317.838 2.140 0 40 DEAB Cc1ccccc1-c1ccc(=O)n(CC(=O)N2CCCCC2)n1 5409751 BYBXXVRLZQZUBC-UHFFFAOYSA-N 311.385 2.231 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C2CC2)cc1 12809039 QRUXMZVXCJWOIH-GFCCVEGCSA-N 324.446 2.244 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169682334 VFQUGKLWSURPCK-ODICJLLRSA-N 323.348 2.031 0 40 DEAB COC(=O)c1cc2c([C@@H](O)CNC(C)(C)C)ccc(O)c2[nH]1 5353109 RQEQDAFOHWDQKN-ZDUSSCGKSA-N 306.362 2.082 0 40 DEAB CN(C)C(=O)NC1CC2(CCN(C(=O)[C@H]3CC[C@H](C)CC3)C2)C1 2056214992 ZUHHTUJZNLYCTE-PMSIOGILSA-N 321.465 2.465 0 40 DEAB Cc1ccc(N2C[C@H](NC(=O)Nc3ccccn3)CC2=O)cc1 4272580 LLMMIYVKITYCRT-CYBMUJFWSA-N 310.357 2.317 0 40 DEAB O=C1NC(=O)N(Cc2ccccc2)C(=O)[C@@H]1Cc1ccccc1 4991003 FINYAXPVJHNQGW-OAHLLOKOSA-N 308.337 2.124 0 40 DEAB CCc1ccc(S(=O)(=O)NC[C@H](O)c2cccs2)s1 74558917 VAVKLXUKEGXFKD-JTQLQIEISA-N 317.457 2.384 0 40 DEAB O=C(NC(=O)N1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 81921 CQSIXIBJOYFFHU-UHFFFAOYSA-N 324.764 2.029 0 40 DEAB COCc1nnc(NC(=O)c2cc3ccccc3n2C)s1 40283161 KQJOCPCBMSKLGU-UHFFFAOYSA-N 302.359 2.429 0 40 DEAB CC(C)=CC(=O)N1CCC(NC(=O)c2scnc2C)CC1 50484840 AKSGSLWJYYACDJ-UHFFFAOYSA-N 307.419 2.139 0 40 DEAB CCOC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 100826810 OHYOZKDGSDBNPY-UOVKNHIHSA-N 313.353 2.399 0 40 DEAB NC(=O)CC1CCN(C(=O)c2ccc(OC(F)F)cc2)CC1 40542635 PSZDUCXCIATRAW-UHFFFAOYSA-N 312.316 2.016 0 40 DEAB CCC(C)(C)NC(=O)CS(=O)(=O)Cc1ccccc1F 40528442 RZVDFSMYQIWWJL-UHFFFAOYSA-N 301.383 2.045 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N2CCC(C(N)=O)CC2)o1 32196992 RXLZVCMTNRMRTB-UOLJMSNASA-N 302.374 2.140 0 40 DEAB Cc1cc(C)nc(N2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)n1 52471150 YAQANYTXZQGCRK-UHFFFAOYSA-N 319.796 2.037 0 40 DEAB O=C(NCC1CC1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 32909781 GVQMMJXNHUURCO-INIZCTEOSA-N 324.380 2.373 0 40 DEAB Cc1cccc(-c2noc(CN(CC(N)=O)C3CCCC3)n2)c1 52826661 HRMBHNKPPVIMCU-UHFFFAOYSA-N 314.389 2.275 0 40 DEAB O=c1c2[nH]c3ccc(Cl)cc3c2ncn1CCc1c[nH]cn1 486069 ACAZBPSACRHSAC-UHFFFAOYSA-N 313.748 2.497 0 40 DEAB biogenic O=C(Nc1ccccc1O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 41688140 VKOUGFTWNXLETK-CYBMUJFWSA-N 317.389 2.259 0 40 DEAB CCOC(=O)[C@@H]1C(=O)N[C@H]2c3ccccc3O[C@@H]3CCCC[C@@]132 1280091 SEVNYVDCZGGKSS-LLDVTBCESA-N 315.369 2.358 0 40 DEAB biogenic CCOP(=O)(OCC)Oc1cnn(C)c(=O)c1SCC 1576336 FRFKIYOQWGLLKN-UHFFFAOYSA-N 322.323 2.452 0 40 DEAB CN(CC(=O)N1CCC[C@@H]1c1ccc[nH]1)C(=O)c1ccccc1 79447461 MGJNAXSFBZTFTJ-MRXNPFEDSA-N 311.385 2.450 0 40 DEAB O=C(CCc1cnn(-c2ccccc2)c1)NCC[C@H]1CCCO1 23189804 ISGNTTYKCZRPDE-QGZVFWFLSA-N 313.401 2.490 0 40 DEAB COCCNC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 4966792 FMRYBKFQQNXZFJ-UHFFFAOYSA-N 324.421 2.241 0 40 DEAB Cc1nc2ccc(NC(=O)C3CCN(C(N)=O)CC3)cc2s1 42631211 OFJQNGVVZCVLIY-UHFFFAOYSA-N 318.402 2.334 0 40 DEAB COC(=O)c1ccc(C)c(NC(=O)Cn2nc(C)cc2C)c1 8328383 BHICGUPRPAMMSX-UHFFFAOYSA-N 301.346 2.234 0 40 DEAB Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)on1 12531621 LCXDJWBQEZAXNV-CQSZACIVSA-N 314.320 2.375 0 40 DEAB Cc1ccccc1C[C@H](C)NC(=O)CCNC(=O)[C@H]1C[C@@H]1C 55557236 PSTRPMNAWBWISS-DZKIICNBSA-N 302.418 2.205 0 40 DEAB C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[C@@H](CCO)C1 107521722 DRAMCJVPXAIFAI-CABCVRRESA-N 300.406 2.423 0 40 DEAB CO[C@@]1(C)C[C@H](N(C)C(=O)NCc2cnn(C)c2C)C1(C)C 179356961 AUQFVYZCZRHZIF-BBRMVZONSA-N 308.426 2.074 0 40 DEAB COc1ccc(CN(C)Cc2ccc(C(N)=O)cc2)cc1OC 27350253 ALDKNTFTTMOENK-UHFFFAOYSA-N 314.385 2.435 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2F)C1=O 58289885 FAUDUDLNSFXLSA-INIZCTEOSA-N 306.337 2.208 0 40 DEAB O=C(NCc1cc[nH]n1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58294055 IJOAYLMOWDUPMZ-CQSZACIVSA-N 316.380 2.077 0 40 DEAB CC(C)CCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 58279818 MJPBANPLSHZPOA-UHFFFAOYSA-N 306.410 2.317 0 40 DEAB c1ccc(Cn2nnnc2CN2CCC[C@@H]2c2ccc[nH]2)cc1 44977883 CKYJTBIXAJPZBF-MRXNPFEDSA-N 308.389 2.387 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NCCc2ccc(Cl)cc2)C1 28082991 WWNNNTLLVWKSGY-LBPRGKRZSA-N 316.854 2.449 0 40 DEAB CCCc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 58413651 GACSVNMHFVFEFH-IAGOWNOFSA-N 302.418 2.232 0 40 DEAB NC(=O)Cc1ccccc1NC(=O)Cc1c[nH]c2ccccc12 46076549 NEBGAZYPPMGXDD-UHFFFAOYSA-N 307.353 2.377 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)NCCC1=CCCCC1 3425767 QVDBTKHRPCHWMN-UHFFFAOYSA-N 311.385 2.403 0 40 DEAB COc1ccc(CNC(=O)[C@H](C)NC(=O)c2ccccc2)cc1 3613224 MIXJXPZKSATQHU-ZDUSSCGKSA-N 312.369 2.130 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cccc(C(N)=O)c2)cc1C 13062258 ZBQHWGFEPWOKMH-UHFFFAOYSA-N 304.371 2.203 0 40 DEAB CSc1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@@H]3S2)c1 3907032 KSXDTYFVTHBTRA-QWRGUYRKSA-N 314.457 2.089 0 40 DEAB CO[C@@H](CNC(=O)N1CCC[C@H](N(C)C)C1)c1ccccc1 72274196 UWPYKAKDPIDHIT-HOTGVXAUSA-N 305.422 2.110 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)s2)no1 4242277 OHVKBBGFGUVFJC-UHFFFAOYSA-N 300.723 2.493 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N[C@@H]1C[C@@H]1c1ccc(F)cc1F 110681473 QKLWXQBKYJASGH-QQZFCILMSA-N 308.328 2.440 0 40 DEAB Cc1cc([C@@H](C)NC(=O)NCCCn2ccnn2)cc(C)c1F 96009986 BRBFPVIFXXOBCS-CYBMUJFWSA-N 319.384 2.485 0 40 DEAB Cc1ccc([C@@](C)(NC(=O)NCc2cc(C)no2)C(=O)O)cc1 65554034 FJEOESWBOLJEQY-MRXNPFEDSA-N 317.345 2.091 0 40 DEAB CCCc1noc(COC(=O)c2cc3ccccc3c(=O)[nH]2)n1 84759059 FPAZSYOIFYFZJB-UHFFFAOYSA-N 313.313 2.221 0 40 DEAB COC(=O)CNC(=O)CSc1cc(C)c2cccc(C)c2n1 4801427 YSFQRHPQRQYZLG-UHFFFAOYSA-N 318.398 2.233 0 40 DEAB COC(=O)CSc1nc(-c2ccncc2)nc2c1CCC2 66796423 ULTNYPAEFKOIJD-UHFFFAOYSA-N 301.371 2.292 0 40 DEAB O=C(Cn1nnc2ccccc2c1=O)N(C1=CCCCC1)C1CC1 7440219 XFEYHFNNQJJBDB-UHFFFAOYSA-N 324.384 2.240 0 40 DEAB CS(=O)(=O)CCCN1CCC(Oc2ccc(F)cc2)CC1 96406613 CRLGBBYQAAFIJA-UHFFFAOYSA-N 315.410 2.104 0 40 DEAB COc1ccc(Cl)cc1C[S@@](=O)CC(=O)NCC1CC1 71859120 HKMCICPRYCSEOX-FQEVSTJZSA-N 315.822 2.124 0 40 DEAB Cc1c[nH]cc1C(=O)N1CCN(CCc2cccs2)CC1 71823391 SXLPTZFKQCFDAA-UHFFFAOYSA-N 303.431 2.385 0 40 DEAB O=C(COc1cc(F)ccc1F)N[C@@H]1CCC[C@@H]1n1ccnc1 71879413 RFVNDBYWVXCDRE-KGLIPLIRSA-N 321.327 2.450 0 40 DEAB COCCN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1CCOC1 71884280 ZRFYDNIMJAPFCN-GFCCVEGCSA-N 315.772 2.491 0 40 DEAB CN(Cc1cccnc1)C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C 69562730 AINJHUKIXYXTCW-HNNXBMFYSA-N 317.433 2.467 0 40 DEAB CCN1CCN(C(=O)NC[C@H](CC(C)C)N(CC)CC)CC1 71925817 WINFAUPDACNVID-INIZCTEOSA-N 312.502 2.090 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/C(C)(C)C)cc1 69780114 GKWCCKUXEFMVEC-ZHACJKMWSA-N 310.419 2.478 0 40 DEAB Cn1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1=O 71920110 RFVPXQDYPGOZNA-UHFFFAOYSA-N 310.357 2.231 0 40 DEAB Cc1cc(N2CCC(N(C)C(=O)[C@H]3C[C@H]3C)CC2)nc(C)n1 69843516 RHQNHEVSXBTZOR-ABAIWWIYSA-N 302.422 2.177 0 40 DEAB O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1Cc1ccccc1 18212533 YESRZUNGJBNCHD-GDBMZVCRSA-N 324.311 2.114 0 40 DEAB CCOC(=O)CN1CCCN(c2nc3ccccc3s2)CC1 72073176 YZXHCVCEKCMRPQ-UHFFFAOYSA-N 319.430 2.372 0 40 DEAB CCn1ccnc1CNC[C@H](c1cccs1)N1CCOCC1 72301262 OFMQHUGNVSGBNF-CQSZACIVSA-N 320.462 2.128 0 40 DEAB O=C(Cn1ccc2ccccc21)NCCc1nnc2ccccn12 95476801 NXWBHLGEZGBWOS-UHFFFAOYSA-N 319.368 2.043 0 40 DEAB COc1ccccc1-c1noc([C@@H]2CSCN2C(C)=O)n1 95959368 RVXWJEFWDUEDIF-NSHDSACASA-N 305.359 2.339 0 40 DEAB CCCN(CC(=O)O)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 95970012 LDOFAXRQVPZSAA-HNNXBMFYSA-N 321.373 2.181 0 40 DEAB O=C1CN(C(=O)c2ccc3ncccc3c2)[C@@H]2CCCC[C@H]2N1 89807843 YBEBAYGKUFTTAF-HZPDHXFCSA-N 309.369 2.118 0 40 DEAB O=C(NCc1nnc2n1CCCC2)c1nccc2ccccc12 69561724 ITUKUXRVHBBKIA-UHFFFAOYSA-N 307.357 2.093 0 40 DEAB CCc1c(C)[nH][n+]2cnn(Cc3c(F)cccc3Cl)c2c1=O 408974445 AARZAOJZVGVMEP-UHFFFAOYSA-O 321.763 2.022 0 40 DEAB O=C(O)[C@H]1C=C[C@@H](NS(=O)(=O)c2csc3ccccc23)C1 551998508 CPLXXGOUSYINPF-VHSXEESVSA-N 323.395 2.209 0 40 DEAB C[C@H](CC(N)=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 38775062 LDMWOHWLLYNMGD-DOMZBBRYSA-N 309.841 2.330 0 40 DEAB O=C(Nc1cccc2[nH]ccc12)c1cnc2sccn2c1=O 72405643 QVNRBBGEPJSEFN-UHFFFAOYSA-N 310.338 2.490 0 40 DEAB CCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 30865719 IFQRSKQUHYGGGV-UHFFFAOYSA-N 304.799 2.241 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)C(=O)N(C)Cc1nccs1 74529598 MDQCMAOTMVYUHY-JTQLQIEISA-N 306.435 2.331 0 40 DEAB O=C(O)C1=CCCN(C(=O)c2cccc(Br)c2)C1 72226976 DZJPBXQMTJVSFR-UHFFFAOYSA-N 310.147 2.306 0 40 DEAB CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1CCC[C@@H]1O 569227576 ZYYJCIAWURSEHO-RDBSUJKOSA-N 313.438 2.220 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)c1 222261189 HONQEFYUORJRCP-IKIFYQGPSA-N 307.349 2.447 0 40 DEAB CSCC[C@@](C)(O)CNC(=O)/C=C/c1ccc2c(c1)OCO2 75157497 XZBLNZUMMIKPID-MQDFFIGUSA-N 323.414 2.049 0 40 DEAB O=C(NCc1cccs1)NC[C@H](O)c1ccc2c(c1)CCO2 85559576 WAMUFOCJMDPOQA-AWEZNQCLSA-N 318.398 2.216 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cccnc1C(F)(F)F 194733229 IXMBYDLFSUGXGV-QWHCGFSZSA-N 322.286 2.489 0 40 DEAB O=C(Nc1ccc2c(c1)CCO2)[C@@]1(c2ccccc2)CCNC1 574126522 CFAJPXOMIFWEPN-IBGZPJMESA-N 308.381 2.491 0 40 DEAB CCOC(=O)c1cnc(NC(=S)NC2CCCC2)nc1C 225195794 CWDUWHPDKJGZFR-UHFFFAOYSA-N 308.407 2.191 0 40 DEAB COc1cccc(CNC(=O)C(=O)Nc2cc(F)ccc2C)c1 42646118 GDYQNWGPNIAKBB-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB O=C(N1CCC(CNc2ncc(Cl)cn2)CC1)C(F)(F)F 84928014 DOZNNDXUMXJXBT-UHFFFAOYSA-N 322.718 2.343 0 40 DEAB F[Sn](F)(c1ccccc1)c1ccccc1 195771648 ONYRMAWSDQTEAL-UHFFFAOYSA-L 310.919 2.182 0 40 DEAB CC[C@@](O)(CNC(=O)C(F)F)c1ccc(Br)cc1 194750441 CRCQOEIATPTUKQ-GFCCVEGCSA-N 322.149 2.428 0 40 DEAB O=C(NCCC1CCCC1)N[C@H]1CCN(CC(F)(F)F)C1=O 96405635 ZVIRYHWWYIDMFR-NSHDSACASA-N 321.343 2.029 0 40 DEAB C[C@H](O)c1ccn(Cc2ccn(-c3ccc(F)cc3F)n2)n1 192190532 BBTVFQPLFBDLSB-JTQLQIEISA-N 304.300 2.449 0 40 DEAB Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C(C)C)C(C)C 96460691 FMODZWMWSNHUPE-UHFFFAOYSA-N 316.423 2.097 0 40 DEAB CSCCc1ccc(NC(=O)NCC[S@](C)=O)cc1 96434577 IKVMGDXIJCZJDJ-LJQANCHMSA-N 300.449 2.092 0 40 DEAB c1cn([C@@H]2CO[C@@]3(CCCN(CC4CCOCC4)C3)C2)cn1 96048593 ZJFVQSFPQWTCHO-IRXDYDNUSA-N 305.422 2.106 0 40 DEAB CC(C)S(=O)(=O)CCS(=O)(=O)[C@@H](C)c1ccccc1F 96455455 PWXMDJMFXJFGSS-NSHDSACASA-N 322.423 2.125 0 40 DEAB O=C(CCNC1(c2cccc(Cl)c2)CC1)N1CCOCC1 96491959 GSEFXKMZDSWJAR-UHFFFAOYSA-N 308.809 2.168 0 40 DEAB COCCN(Cc1cccnc1)C(=O)c1c(O)cc(F)cc1F 96475458 QIGQHCUAOVLQLQ-UHFFFAOYSA-N 322.311 2.354 0 40 DEAB O=C(C1CCC1)N1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1 96218704 LXIUXAPXUPRCHY-NVXWUHKLSA-N 302.374 2.021 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)Nc1cnccc1CO 96495232 KWJGTLAZLZIPCO-UHFFFAOYSA-N 308.341 2.320 0 40 DEAB COC[C@@H]1CN(Cc2ccco2)Cc2nnn(CC3CC3)c21 96060876 CSEAIXMDQPDBFQ-ZDUSSCGKSA-N 302.378 2.027 0 40 DEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccc3[nH]nnc3c2)C1 257209703 BROWOQDMEDFDRS-GFCCVEGCSA-N 324.388 2.084 0 40 DEAB COc1cc(C(=O)NC[C@@]2(C)CCCS2)cc(OC)c1O 390835669 URWXSBWAFUBVKF-OAHLLOKOSA-N 311.403 2.425 0 40 DEAB CCN(Cc1cccc(Cl)c1)C(=O)[C@H]1NCc2ncncc21 1553393145 HEVJHIIVBSOUIG-HNNXBMFYSA-N 316.792 2.323 0 40 DEAB CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1ccccc1)C2 585103352 UTPCNNBXLNGSQX-YJBOKZPZSA-N 300.402 2.407 0 40 DEAB Cc1cc(OCC2CCN(C(=O)C3CCOCC3)CC2)ccn1 1775995409 UHGXZWNCDMZTSK-UHFFFAOYSA-N 318.417 2.434 0 40 DEAB COc1ccc2c(c1)CCC[C@@]2(O)CNc1ncc(F)cn1 1776000711 GXJYMEYKZIEEHD-MRXNPFEDSA-N 303.337 2.260 0 40 DEAB CC(C)CNC(=O)Nc1ccc(N2CCNC(=O)C2)c(Cl)c1 48560887 CKXLFOQTOHUSDA-UHFFFAOYSA-N 324.812 2.054 0 40 DEAB COc1cc2c(cc1OC)CCN(C(=O)c1cc(C)no1)CC2 56462336 NIEKUIJDTUCVFA-UHFFFAOYSA-N 316.357 2.241 0 40 DEAB COc1cccc([C@@H](O)CNC(=O)COc2ccccc2F)c1 74559360 BBUQXYGZCCTSHV-HNNXBMFYSA-N 319.332 2.063 0 40 DEAB C[C@H](C1CC1)N(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 74663112 VRUDBNMEOSWIDP-GFCCVEGCSA-N 324.446 2.073 0 40 DEAB CC(C)C(=O)NC1CCN(C(=O)CO[C@@H]2CCCC[C@H]2C)CC1 79039198 WEUFUMWAINUYHS-GDBMZVCRSA-N 324.465 2.345 0 40 DEAB Cc1ccc(CCCC(=O)N2CCS(=O)(=O)C[C@H]2C)s1 79546283 FBWHCLQFEGGJHX-LLVKDONJSA-N 315.460 2.025 0 40 DEAB COC(=O)c1cccc(NCC(=O)NCCc2cccs2)c1 40473421 JSVBPLDXFRAPOU-UHFFFAOYSA-N 318.398 2.306 0 40 DEAB Cn1cc(CN2CCC[C@@](C)(C(=O)NC3CCCC3)C2)cn1 19746648 TVGSFGVRLDSYPV-QGZVFWFLSA-N 304.438 2.081 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169616478 ISDSLAVHEPKUHD-YTQIUSBHSA-N 323.348 2.031 0 40 DEAB COc1ccc(C(=O)N2CCN(c3cccs3)CC2)c(O)c1 156766765 PCRLXDVYNDWJNP-UHFFFAOYSA-N 318.398 2.425 0 40 DEAB O=C(Cc1cccc(O)c1)NCCNC(=O)CC1CCCCC1 101672723 KDADPNWWNJKHRO-UHFFFAOYSA-N 318.417 2.138 0 40 DEAB CCC(CC)NC(=O)CN1C(=O)NC2(CCCCCCC2)C1=O 3463227 JOXKLLFCUXJDBN-UHFFFAOYSA-N 323.437 2.326 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@]1(O)CCCc2sccc21 1889091542 WXGUSVJXMZBTGZ-INIZCTEOSA-N 320.414 2.236 0 40 DEAB Cc1cccc(N2CCN(CC(=O)NCc3ccccc3)CC2)c1 27381729 PESPABKGXYRZQE-UHFFFAOYSA-N 323.440 2.433 0 40 DEAB C[C@]12CCCN(Cc3ccccc3C(=O)O)[C@H]1CCCC(=O)N2 2037785089 PDXSHQHYCYBDOY-YJBOKZPZSA-N 316.401 2.408 0 40 DEAB O=C(Nc1ccccn1)N[C@H]1CC(=O)N(c2cccc(F)c2)C1 4272655 CZXKCMFJOKOXJI-LBPRGKRZSA-N 314.320 2.148 0 40 DEAB CCn1cc(NC(=O)N2CCN(C(C)=O)CC2)c2ccccc21 5265969 GWWSQEFOYBTJIW-UHFFFAOYSA-N 314.389 2.357 0 40 DEAB O=C(NCc1nnnn1C1CCCCC1)c1ccc(F)cc1 10594179 DKKXYHLQMNKWNS-UHFFFAOYSA-N 303.341 2.247 0 40 DEAB CC(=O)N1CCc2nc3ncc(Br)cc3cc2C1 2298048462 JRNQCBISNMZJMZ-UHFFFAOYSA-N 306.163 2.297 0 40 DEAB O=C(Cn1nnc2ccccc21)NCc1ccccc1Cl 6999004 YMLNRHYMDQQZRT-UHFFFAOYSA-N 300.749 2.401 0 40 DEAB C[C@H]1CCCCN1CCNC(=O)c1cc(=O)[nH]c2ccccc12 40110335 LQGUHJWTJQASFV-ZDUSSCGKSA-N 313.401 2.132 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 145795 WIZHDGPMTBABNL-UHFFFAOYSA-N 314.124 2.426 0 40 DEAB CC(C)Oc1ccc(C(=O)NCCCCN2CCOCC2)cc1 40541032 HCURMIKFGABXGQ-UHFFFAOYSA-N 320.433 2.316 0 40 DEAB CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1CO 51149496 REPWEZZPCCYPNT-ZIAGYGMSSA-N 319.357 2.183 0 40 DEAB Cc1cccc(CNC(=O)[C@]2(C)Oc3ccccc3NC2=O)c1 40776376 ICQIIVXXDWBTQD-SFHVURJKSA-N 310.353 2.401 0 40 DEAB COc1ccc(C(=O)N2CCN(C(=O)C(C)(C)C)CC2)cc1 32764731 LKOPLMSJQNOKHM-UHFFFAOYSA-N 304.390 2.026 0 40 DEAB COc1ccc(CN[C@H]2CCS(=O)(=O)C2)c2ccccc12 42186746 HTPLCLVXCKJPJR-ZDUSSCGKSA-N 305.399 2.125 0 40 DEAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccoc1 23055284 UGNGGXNJOWKNJK-MRXNPFEDSA-N 318.348 2.222 0 40 DEAB CC(C)/N=c1\ccccn1C(=O)[C@H]1Cc2ccccc2C(=O)O1 104722134 OGNJAQVNXIFGQQ-ZBQKJFDRSA-N 310.353 2.219 0 40 DEAB C[C@@H]1CN(CC(=O)Nc2ccccc2Br)CCO1 24014563 BIBMZVMFVBCXSN-SNVBAGLBSA-N 313.195 2.108 0 40 DEAB Cc1cc(CNC(=O)Nc2ccccc2N2CCCC2=O)on1 61748338 OWCPNORELHRXFL-UHFFFAOYSA-N 314.345 2.432 0 40 DEAB Cc1ccccc1N(C(=O)C(F)(F)F)[C@@H]1C=CS(=O)(=O)C1 1295401 LIEIRVLCPZSXOU-SNVBAGLBSA-N 319.304 2.201 0 40 DEAB COc1ccccc1/C=C/C(=O)NC(=S)NCc1ccco1 1236212 OWWSZHMWBHROKQ-CMDGGOBGSA-N 316.382 2.492 0 40 DEAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 25134279 FVIMDVBMWFHSKD-UHFFFAOYSA-N 310.309 2.472 0 40 DEAB Cc1ccccc1[C@@H]1[C@H](C(=O)O)CCC(=O)N1C[C@H]1CCOC1 106905674 PMQIUZOFXICROE-FRFSOERESA-N 317.385 2.396 0 40 DEAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1cnn(C)c1 25434935 UPGDCILYYHILTL-AWEZNQCLSA-N 319.409 2.346 0 40 DEAB O=C(NC1CCN(Cc2ccccn2)CC1)OCC(F)(F)F 56327770 UZOOICZDTUHXHM-UHFFFAOYSA-N 317.311 2.335 0 40 DEAB CCC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 3221656 KKPBIKBPMSMVRG-UHFFFAOYSA-N 324.446 2.390 0 40 DEAB Cn1c(=O)oc2cc(S(=O)(=O)Oc3ccccc3F)ccc21 44265677 QUBOAJLEMHVSOL-UHFFFAOYSA-N 323.301 2.038 0 40 DEAB Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)N1CCCC1 3254906 VAAMMWDZKUKPQC-UHFFFAOYSA-N 317.172 2.355 0 40 DEAB O=C(Cn1cnc2ccsc2c1=O)NC1CCCCCC1 48272086 NHWRVEAHVOYFTG-UHFFFAOYSA-N 305.403 2.297 0 40 DEAB CNc1snc(C)c1C(=O)NC[C@H]1COc2ccccc2O1 27767689 IIUCVXFXGPASKR-JTQLQIEISA-N 319.386 2.063 0 40 DEAB Cc1ccc(-n2nnc(CN)c2-c2ccc3c(c2)OCO3)cc1 62248229 UHKSWLAPEXSFLK-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB CN1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C1=O 100626335 LFEAVWLHJKHTBV-MCIONIFRSA-N 314.366 2.224 0 40 DEAB Cc1cccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)c1 84211060 FDYOZDJRGYCTGC-INIZCTEOSA-N 303.406 2.370 0 40 DEAB C[C@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)N(C)C 58365086 LVHCEUJXVSPXEZ-ZBFHGGJFSA-N 321.440 2.104 0 40 DEAB CCCN(CC(F)(F)F)C(=O)CNC(=O)Cc1ccccc1 58430724 GIULQUAVTRKHHW-UHFFFAOYSA-N 316.323 2.146 0 40 DEAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCCN1CCCC1 100467010 GUFSPRZYMMTPOY-IIDMSEBBSA-N 307.482 2.003 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Sc2nnc3ccccn23)on1 11005474 PKXRJEOXSKCOIC-VIFPVBQESA-N 303.347 2.145 0 40 DEAB NS(=O)(=O)c1cccc(C(F)(F)F)c1Br 2576058 GRFQCVDQEXIKGG-UHFFFAOYSA-N 304.087 2.115 0 40 DEAB CN(C)c1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 46216445 MIBONGZCYGYODY-XJKSGUPXSA-N 319.430 2.145 0 40 DEAB O=C(COc1cccc(-c2nnco2)c1)NC(C1CC1)C1CC1 29752615 DVKYUQHYXNOHKM-UHFFFAOYSA-N 313.357 2.420 0 40 DEAB COc1ccc(CN(C)[C@H](C)C(=O)N2CCC(C)CC2)cc1O 72308235 NVCJDYWFVKHRAX-CQSZACIVSA-N 320.433 2.480 0 40 DEAB O=C(COC(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2 5060504 FVZZOMPOXADVIZ-UHFFFAOYSA-N 314.385 2.323 0 40 DEAB Oc1nc(-c2ccc(N3CCOCC3)nc2)nc2ccccc12 65578875 QDDZNCLOUQMNOZ-UHFFFAOYSA-N 308.341 2.234 0 40 DEAB CCOCc1nnc(NC(=O)c2ccc(OC(C)=O)cc2)s1 4510356 BBBTXHBSMBRWGO-UHFFFAOYSA-N 321.358 2.252 0 40 DEAB COC(=O)/C=C(\C(=O)OC)N1N=C(C)C[C@@H]1c1ccccc1 4735732 LQLSMMBPRMJIJI-PCRWRXJSSA-N 302.330 2.039 0 40 DEAB COC(=O)c1cc(/C=C/C(=O)Nc2nnc(C)s2)oc1C 9447804 KRKOGDQKUIAFQJ-SNAWJCMRSA-N 307.331 2.186 0 40 DEAB CC(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCOC1 71799912 IZKJQTGZQHVUPI-LBPRGKRZSA-N 308.353 2.038 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)n[nH]1 71799577 PGGLQULMAHBJDZ-QWRGUYRKSA-N 315.377 2.421 0 40 DEAB C[C@H](Sc1nnc(N)s1)C(=O)N1CCc2ccccc21 7535850 KARCRPKCACFHDG-QMMMGPOBSA-N 306.416 2.190 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)OC(=O)c1cccs1 7550279 MANIIYCGQNLGNX-JTQLQIEISA-N 307.375 2.282 0 40 DEAB COc1cc(C(=O)Nc2ccc(Cl)nn2)cc2c1OCCO2 68295954 XYAURHZQFWWBRH-UHFFFAOYSA-N 321.720 2.162 0 40 DEAB O=C(c1cnc(-c2ccccc2)nc1)N1CCN2CCCC[C@H]2C1 71839679 ZXHJKGPWUUVFHU-KRWDZBQOSA-N 322.412 2.454 0 40 DEAB C[C@@H](CNc1ncnc2cccc(F)c12)CN1CCCC1=O 71833176 SHNFLYNLYITQLJ-NSHDSACASA-N 302.353 2.439 0 40 DEAB O=C(c1ncccc1O)N1CCO[C@H](c2ccc(F)cc2)C1 69437671 SKRLKAHKXMJGOY-AWEZNQCLSA-N 302.305 2.140 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)[C@@H](C)Sc2nncs2)cc1 69413706 PEXRHSKFZSQJOR-ZYHUDNBSSA-N 323.443 2.177 0 40 DEAB Cc1cnn(C[C@H](C)N[C@H](C(=O)NC(C)C)c2ccccc2)c1 69624866 ZUYHFJZFQUKTGI-RDJZCZTQSA-N 314.433 2.436 0 40 DEAB COC(=O)c1ccc(N[C@H](c2ccccc2)c2nccn2C)nn1 69630046 MSDKTGQBLOUACN-OAHLLOKOSA-N 323.356 2.198 0 40 DEAB COCCS(=O)(=O)N[C@@H](c1ccc(F)cc1)C(C)(C)C 71920970 SYNPLPDBTWSPHI-ZDUSSCGKSA-N 303.399 2.479 0 40 DEAB C[C@@](N)(C(=O)N1CC[C@@H](Oc2cccc(Cl)c2)C1)C1CC1 97049380 UOEKVXPCMCOXSA-ZBFHGGJFSA-N 308.809 2.447 0 40 DEAB CN1CCN(c2ccccc2CNC(=O)[C@H]2CC=CCC2)CC1 69879231 FCWHRQJFIOYQKG-INIZCTEOSA-N 313.445 2.411 0 40 DEAB O=C(O)c1csc(CNC(=O)[C@H]2CSc3ccccc32)n1 92238013 PYCDTWZRFYFAFI-VIFPVBQESA-N 320.395 2.347 0 40 DEAB CCc1nn(C)cc1C(=O)NC1CCN(c2ccccc2)CC1 92335649 DKNKYSNENPEYRZ-UHFFFAOYSA-N 312.417 2.381 0 40 DEAB Cn1cc(NS(=O)(=O)c2ccccc2C(C)(C)C)ccc1=O 95961504 OHOBVKXNUABUOK-UHFFFAOYSA-N 320.414 2.484 0 40 DEAB O=C(NCCOc1nnc(-c2ccccc2)o1)C1CCCC1 95993771 FJNUJDGQVMMTGY-UHFFFAOYSA-N 301.346 2.422 0 40 DEAB Cc1nn(CC(=O)O[C@@H](C)c2cccnc2)c(=O)c2ccccc12 95959285 VTJSWFWYCYXARV-ZDUSSCGKSA-N 323.352 2.404 0 40 DEAB Cc1ccc(CNc2ccc(C(N)=O)nn2)c(OCC2CC2)c1 88741715 ZNGGVIDROQWESI-UHFFFAOYSA-N 312.373 2.285 0 40 DEAB Cc1nc(NC(=O)CN[C@H](C)[C@@H](C)n2cccn2)sc1C 75606732 GOLMKYLBCXNYGN-MWLCHTKSSA-N 307.423 2.134 0 40 DEAB O=C(O)CCC1CCN(S(=O)(=O)c2cccc(F)c2)CC1 50923475 WOYQZODUXNGRNU-UHFFFAOYSA-N 315.366 2.091 0 40 DEAB COc1ccccc1NC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C)CC1 78777092 WIDJHYDIMATJQU-OLZOCXBDSA-N 317.389 2.027 0 40 DEAB O=C(O)[C@@H]1COC2(CCCCC2)N1C(=O)c1ccc(F)cc1 35572286 UQOUQEUNISHGIB-ZDUSSCGKSA-N 307.321 2.412 0 40 DEAB Cc1cc(OCC(=O)Nc2cnccc2N2CCCCC2)no1 79041023 ZLZPILLNNDPHGT-UHFFFAOYSA-N 316.361 2.386 0 40 DEAB CCc1cc(NC(=O)[C@@H]2COc3cc(OC)ccc3C2)[nH]n1 79323252 HUJTWRAHPZUDQA-NSHDSACASA-N 301.346 2.171 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72385731 KRJZIULGFPSPJV-CYBMUJFWSA-N 301.394 2.088 0 40 DEAB O=C(NCc1cnn2ccccc12)Nc1ccc2c(c1)OCO2 75162901 HNXRJXFGUZJCNC-UHFFFAOYSA-N 310.313 2.385 0 40 DEAB O=C(Cc1cccs1)N1CCC[C@H](Oc2cccnn2)C1 225453401 NSZQSPCKFYSCBP-LBPRGKRZSA-N 303.387 2.151 0 40 DEAB Cc1ccncc1CCNC(=O)[C@@H]1NCC[C@H]2CCCC[C@@H]21 1579814230 BWOPRAYXJXYSTG-HYVNUMGLSA-N 301.434 2.217 0 40 DEAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3coc(C)n3)c2)n1 226096666 SBKJGGOGKNAECT-UHFFFAOYSA-N 310.313 2.294 0 40 DEAB COCC[C@@H]1CO[C@]2(CCN(C(=O)c3cccc(O)c3)C2)C1 96072115 LZTCDMOAWXECDR-SUMWQHHRSA-N 305.374 2.050 0 40 DEAB O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1cnccn1 96460949 CQUQMHXRSVZMKC-UHFFFAOYSA-N 315.720 2.068 0 40 DEAB c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3CC2CCOCC2)c1 96250196 OIKWPODUUSYQHE-OKZBNKHCSA-N 304.434 2.394 0 40 DEAB CCO[C@@H]1CO[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 96107584 UCFHNRSTGZFLHT-YOEHRIQHSA-N 305.374 2.185 0 40 DEAB 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CCCc1noc([C@H](C)N2CCN(Cc3ccccn3)CC2)n1 51506427 VCZKQJGJJJQCJH-AWEZNQCLSA-N 315.421 2.296 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)Nc1nncs1 21213898 WIYMJXXBYWEEAF-LLVKDONJSA-N 322.365 2.070 0 40 DEAB CC1=NN(C(=O)c2ccc(N(C)C)cc2)[C@@](O)(C(F)(F)F)C1 330947 VIKNCUZVELWTAS-ZDUSSCGKSA-N 315.295 2.225 0 40 DEAB CC(C)c1cc(C(=O)NCC(=O)N(C)C)c(O)c(C(C)C)c1 32732294 DWBVVELMNJOOFL-UHFFFAOYSA-N 306.406 2.457 0 40 DEAB Cc1cc(C)cc(OCCN2C(=O)N[C@]3(CCSC3)C2=O)c1 32844171 XSUCIWOSFJOUQG-INIZCTEOSA-N 320.414 2.110 0 40 DEAB O=C(OCCO)c1nc(-c2cccs2)n(-c2ccccc2)n1 32903489 WCKTVHZDWYKVGC-UHFFFAOYSA-N 315.354 2.145 0 40 DEAB Cc1ccc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)cc1 51221 YUHVSUCWWJDOTN-ZIAGYGMSSA-N 320.389 2.304 0 40 DEAB Cc1nc(NC(=O)CSc2nnc(C3CC3)n2C)sc1C 413025 FBXUVRRTOWKMSG-UHFFFAOYSA-N 323.447 2.497 0 40 DEAB CCn1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)cn1 47154527 UDRZSMORSYPBTB-SNVBAGLBSA-N 313.361 2.280 0 40 DEAB Cc1nc(CCNC(=O)C(=O)Nc2ccc(F)c(C)c2)cs1 78410879 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108322237 XXECUXZGDBKTGS-HNNXBMFYSA-N 304.390 2.207 0 40 DEAB CSc1nc2ccsc2c(=O)n1CC(=O)NC1CCCC1 57504871 NOOOOAONBWRNAJ-UHFFFAOYSA-N 323.443 2.239 0 40 DEAB Cc1sc2[nH]c(CCC(=O)NCC3CC3)nc(=O)c2c1C 58014550 LRIFXRLOFXRESZ-UHFFFAOYSA-N 305.403 2.060 0 40 DEAB O=C(COc1ncnc2ccccc12)Nc1ccc2c(c1)OCO2 3291713 LKPUCAKQDIVCSZ-UHFFFAOYSA-N 323.308 2.376 0 40 DEAB CCCCN1C(=O)/C(=C/c2cnc3ccccc3n2)NC1=S 101995622 BQIKCCPAFAZEIA-ZROIWOOFSA-N 312.398 2.488 0 40 DEAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3nncn32)cc1Cl 44891046 XKDJBAWDWKDFLZ-SECBINFHSA-N 321.724 2.112 0 40 DEAB O=c1c2ccccc2ncn1Cc1nnc(Cc2ccccc2)o1 58278562 WTQKESKHMXABSV-UHFFFAOYSA-N 318.336 2.419 0 40 DEAB CNC(=O)c1ccc(/C=C/C(=O)NCCOCCC(C)C)cc1 58292716 QSGFPTUXFSJFOC-RMKNXTFCSA-N 318.417 2.238 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)NCc1ccco1)C(=O)C2 102949831 FTRMSHJAOCNXOK-XHDPSFHLSA-N 311.403 2.094 0 40 DEAB O=C(Cc1cc(-c2ccc(F)cc2F)on1)NC1=NCCS1 23127187 BENDHELUBYLKBZ-UHFFFAOYSA-N 323.324 2.381 0 40 DEAB O=C(NCc1ccc(OCC2CC2)nc1)[C@@H]1Cc2ccccc2O1 58322878 HLRZFHYZNSUPFB-KRWDZBQOSA-N 324.380 2.490 0 40 DEAB COc1ccc(C(=O)[C@H](C)Sc2nc(C)n[nH]2)cc1OC 58304742 ZIDHRTZJCVXIFM-QMMMGPOBSA-N 307.375 2.494 0 40 DEAB COc1c(CNC[C@H]2COc3ccccc3C2)c(C)nn1C 58428101 UYZWPYMFNWFJMK-ZDUSSCGKSA-N 301.390 2.078 0 40 DEAB COCCOCC(=O)N(CC(=O)OC(C)(C)C)c1ccccc1 72295940 IBROJOZSYFUXJX-UHFFFAOYSA-N 323.389 2.024 0 40 DEAB CC1(C)Cc2nc3oc4c(NCCO)ncnc4c3cc2CO1 2225733 HAZPURMLVXLENE-UHFFFAOYSA-N 314.345 2.027 0 40 DEAB Cc1ccccc1CNC(=O)c1ccc(N2CCOCC2)nc1 12773309 GHEYPIJAFZZGPO-UHFFFAOYSA-N 311.385 2.157 0 40 DEAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)O[C@H](C)C(N)=O 10837906 XBGUCZCNHWBSFH-MRVPVSSYSA-N 312.391 2.072 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)c2cccc(NC(N)=O)c2)no1 29241736 IVPPJOIJQJUMHO-AWEZNQCLSA-N 314.345 2.451 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3ccc(F)c(Cl)c3)nn12 2647604 WEHBLIHBDGMLIQ-UHFFFAOYSA-N 305.700 2.478 0 40 DEAB CNS(=O)(=O)Cc1ccccc1CNCc1ccc(C)cc1 48341100 XMFBWEFPUKJGFC-UHFFFAOYSA-N 318.442 2.334 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 48382384 XZGZKNQONOOMCZ-OLZOCXBDSA-N 318.329 2.470 0 40 DEAB C[C@@H]1CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C[C@@H](C)O1 22024993 ZQDPKXFHQVVUAE-NXEZZACHSA-N 307.781 2.186 0 40 DEAB CN(C)C(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3459007 RBXSNYSTGSDEAG-UHFFFAOYSA-N 311.337 2.163 0 40 DEAB CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 49992763 BNULSJSUNDADGF-UONOGXRCSA-N 323.234 2.327 0 40 DEAB Cc1nnc(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)[nH]1 14163344 KYRADSRGKVUKPN-UHFFFAOYSA-N 307.404 2.320 0 40 DEAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cc(F)cc(F)c1 65612778 ZIRSXMUHTHINPN-HNNXBMFYSA-N 312.360 2.148 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4505017 XRZCJKFOGQMATJ-GXTWGEPZSA-N 308.765 2.128 0 40 DEAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cn3ccccc3n1)C2=O 9216735 TYRJHFVPJSIKHA-SJKOYZFVSA-N 312.373 2.335 0 40 DEAB O=C(NCCc1cccc(O)c1)NCCc1nccn1C(F)F 66235454 BWZVYPOPWMDEAM-UHFFFAOYSA-N 324.331 2.068 0 40 DEAB CC1(C)CO[C@@H](c2ccccc2)CN1C(=O)CCn1ccnn1 66512458 GEGUSZGJSOUZDI-OAHLLOKOSA-N 314.389 2.047 0 40 DEAB Cn1c(CN[C@H]2CCCN(c3ncccn3)C2)nc2ccccc21 66973242 DFYVZXHGZOPYSC-AWEZNQCLSA-N 322.416 2.122 0 40 DEAB CCOC(=O)c1ccc2c(c1)nc(SCCC(N)=O)n2CC 7033454 XVIMFCFTOLUGOR-UHFFFAOYSA-N 321.402 2.200 0 40 DEAB OC1CCC(NC[C@@H](O)COCc2ccc(Cl)cc2)CC1 7015441 QOVSIXHGJJAEEM-UYSNPLJNSA-N 313.825 2.111 0 40 DEAB O=c1nc(NCc2ccc3c(c2)OCO3)[nH]nc1-c1ccccc1 16046070 FCFBSCWRTDQJCA-UHFFFAOYSA-N 322.324 2.173 0 40 DEAB COc1ccc(C(=O)OCc2ccc(C(N)=O)cc2)cc1F 16133375 OYRCLXGDPGYPSZ-UHFFFAOYSA-N 303.289 2.290 0 40 DEAB Cc1nnc(SCC(=O)Nc2cccc3nsnc23)o1 9426738 QRINRYHIRBQTCG-UHFFFAOYSA-N 307.360 2.114 0 40 DEAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)c3ccc[nH]3)C2=O)c1 96409542 QFUHCPJKECSXSJ-CQSZACIVSA-N 315.348 2.388 0 40 DEAB O=C(CCc1ccncc1)N1CCC(OC[C@@H]2CCCO2)CC1 81848122 YLULCZCIYXSSFJ-KRWDZBQOSA-N 318.417 2.201 0 40 DEAB Cc1cc(CN2C(=O)N[C@](C)(c3cc(F)ccc3F)C2=O)on1 69380462 AXJJKNYBGNQRRR-OAHLLOKOSA-N 321.283 2.228 0 40 DEAB C[C@H]1Sc2ccccc2N(S(=O)(=O)c2c[nH]cn2)[C@@H]1C 97166092 CTKKXPKUXQBBSO-NXEZZACHSA-N 309.416 2.488 0 40 DEAB COCCCNC(=S)N[C@@H](C)c1cc(OC)ccc1OC 17032528 MPQTWRFQWQAQCD-NSHDSACASA-N 312.435 2.265 0 40 DEAB CON(C)C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1 69456191 UHURIBYLXXICDH-UHFFFAOYSA-N 306.343 2.101 0 40 DEAB Cc1ncc(CN(C)C[C@@H]2CCCN2c2cccnn2)s1 71860053 ZMRFLGPSHPEAIC-ZDUSSCGKSA-N 303.435 2.342 0 40 DEAB C[C@H](Sc1n[nH]c(=O)n1C1CC1)C(=O)c1ccc(F)cc1 8504093 SEUCSEJNACGOPY-QMMMGPOBSA-N 307.350 2.409 0 40 DEAB COc1ccc(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cn1 8516532 QGTUOPNPMYBOJE-HNNXBMFYSA-N 314.341 2.077 0 40 DEAB CCc1nc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)n[nH]1 97164094 LFBDQJIJJCVVKF-UHFFFAOYSA-N 319.308 2.360 0 40 DEAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)Cc1ccc(O)cc1 97228122 AYPCDAGITHPTKX-HNNXBMFYSA-N 301.390 2.362 0 40 DEAB CN(C[C@@H](O)C1CC1)c1ncnc2c1cnn2-c1ccccc1 95409063 AIYDUEPFBTWBQK-OAHLLOKOSA-N 309.373 2.023 0 40 DEAB CS(=O)(=O)c1ccc([S@](=O)CCc2ccccc2)cc1 95964728 AOIGZANDGHINTM-IBGZPJMESA-N 308.424 2.440 0 40 DEAB CCc1nc(Sc2nnc(CO)n2C)c2ccsc2n1 95975964 CCRVSEOWLOPTOT-UHFFFAOYSA-N 307.404 2.026 0 40 DEAB CCc1ncsc1NS(=O)(=O)c1cc(Cl)cnc1N 89282684 MNZLOTZTOJRKFM-UHFFFAOYSA-N 318.811 2.137 0 40 DEAB CC(C)Oc1ccc(CNC(=O)N2CCC[C@H](O)C2)cc1F 75133499 NGQSMYQNNWSSBI-ZDUSSCGKSA-N 310.369 2.279 0 40 DEAB Cc1n[nH]c([C@@H]2CN(C(=O)c3sccc3C3CC3)CCO2)n1 76044711 RHKLIGWVKBBCOV-LBPRGKRZSA-N 318.402 2.266 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 24885511 MVMYDVOGMFBHLX-UHFFFAOYSA-N 306.325 2.428 0 40 DEAB COCCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 409242824 WAQBCCWTJUCVFR-MDWZMJQESA-N 321.354 2.488 0 40 DEAB O=C(c1csc(C(F)(F)F)n1)N1CC[C@]2(CCCNC2)C1 514855417 CCBCTQRFZJATRE-LBPRGKRZSA-N 319.352 2.378 0 40 DEAB O=C(O)C1=CCCN(C(=O)c2ccccc2Br)C1 72226975 JMQYKVZKJTYQAW-UHFFFAOYSA-N 310.147 2.306 0 40 DEAB COCCN1CCCC[C@H]1c1n[nH]cc1-c1ccnc(N)c1 72350736 BTJZAOUKWWTMQU-AWEZNQCLSA-N 301.394 2.227 0 40 DEAB Cc1cccc(C2=NO[C@@H]3CN(Cc4cnc(C)nc4)C[C@H]23)c1 72343235 GFCHDOVTJUTZFO-DLBZAZTESA-N 308.385 2.328 0 40 DEAB N[C@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 72227588 ZMGAFQKJEGUXMI-HUUCEWRRSA-N 316.744 2.484 0 40 DEAB COCCOCC(=O)Nc1ccc2nc(C3CCC3)[nH]c2c1 79045091 BEEMNSFTTLRDPZ-UHFFFAOYSA-N 303.362 2.432 0 40 DEAB O=C(NCCCOc1cccc2cccnc12)c1ccc(=O)oc1 44455583 VISYLGBTQOZZDE-UHFFFAOYSA-N 324.336 2.387 0 40 DEAB COCCCN(C)C(=O)N1CCO[C@](C)(c2ccccc2)C1 190776334 ADDXYHJFZAAPFH-KRWDZBQOSA-N 306.406 2.322 0 40 DEAB CC(=O)Nc1ccc([C@H](C)NC[C@H](C)N2CCOC[C@@H]2C)cc1 195557651 KJJIHTWDAAPXTB-KKUMJFAQSA-N 319.449 2.405 0 40 DEAB CC(C)[C@H](CNC(=O)[C@@H]1CCC(=O)NC1)Cc1ccccc1 225553662 QCZVUMZOCAJCQI-CVEARBPZSA-N 302.418 2.144 0 40 DEAB C[C@H]1COCCN1[C@H](C)CN[C@H](c1ccccc1)c1ncc[nH]1 195572750 YLKHQWQXJDOZMT-HLLBOEOZSA-N 314.433 2.198 0 40 DEAB Cc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)nc2ccccc12 131436800 OWMYGXDVNSDDQO-ZDUSSCGKSA-N 319.430 2.061 0 40 DEAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 45958220 FYESRUPJFWKSJX-ZDUSSCGKSA-N 302.374 2.203 0 40 DEAB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1 96238706 VZJSLEKAJQMGNA-QGZVFWFLSA-N 319.380 2.373 0 40 DEAB COCCN(CCO)c1cnc2cc(Cl)c(Cl)cc2n1 96501115 SCXHFQVNFALUNK-UHFFFAOYSA-N 316.188 2.382 0 40 DEAB CCOC[C@H]1C[C@@]2(COCCN2C(=O)c2ccccc2C)CO1 96240706 RACDJIAUMWCPQP-CRAIPNDOSA-N 319.401 2.032 0 40 DEAB O=C(NCC1CC1)[C@@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21 97953384 XXRDDMRXADDRTI-RCCFBDPRSA-N 314.429 2.050 0 40 DEAB COc1ccc([C@@H]2CN(C(C)=O)CCN2C(=O)CC2CC2)cc1 257339006 YZVKVSIYFWGSJF-KRWDZBQOSA-N 316.401 2.227 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccc3c2OCCO3)n1 257201217 AGTSFZIRTSATTF-CYBMUJFWSA-N 313.357 2.467 0 40 DEAB COC(=O)CCNC(=O)[C@H](OC1CCCC1)c1ccccc1 69513049 QSTAVWYATCJEJN-MRXNPFEDSA-N 305.374 2.366 0 40 DEAB O[C@@H](CN1CCN(CC2(O)CCCCC2)CC1)c1ccccc1 69739543 QQTXMGVRCLIERR-SFHVURJKSA-N 318.461 2.033 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC([C@@H](C)O)CC2)c1C 72288822 IEFKJWCMQDWYJW-GFCCVEGCSA-N 322.405 2.041 0 40 DEAB Cc1cccc([C@H]2CCCN2C(=O)NCCS(C)(=O)=O)c1C 76069862 FTRDISBVKDDION-OAHLLOKOSA-N 324.446 2.195 0 40 DEAB O=C(NC1CC1)[C@H]1CCC[C@@H](NCc2cccc3cn[nH]c23)C1 84041420 KWVHIWDGZVOFOK-BLLLJJGKSA-N 312.417 2.490 0 40 DEAB O=C(CCCc1ccccc1)N1CCN(C2CCOCC2)CC1 81036067 FSPATKBKUUJJTB-UHFFFAOYSA-N 316.445 2.333 0 40 DEAB CCN(C(=O)c1cc[nH]n1)[C@H]1CN(C(C)=O)C2(CCCCC2)C1 19695823 VVCFHOIPVMKLML-CQSZACIVSA-N 318.421 2.196 0 40 DEAB COC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Cl 156783085 MYDXERRHUNWGSN-UHFFFAOYSA-N 305.783 2.061 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2)[C@H](O)C1 114082922 ZDIVZXZUIPLHNP-HUUCEWRRSA-N 306.406 2.147 0 40 DEAB Cc1cc(C)c(C)c(OC[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 23643357 RIFUKZDWMMEXHW-BFYDXBDKSA-N 307.434 2.461 0 40 DEAB C[C@@H]1CCCCN1C(=O)CSc1nnnn1-c1ccccc1 3504047 FGYLTJFVDIGWBM-GFCCVEGCSA-N 317.418 2.155 0 40 DEAB CCCc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2cc(C)no2)n1 11001194 XLBVMDWJHXVPCQ-VIFPVBQESA-N 322.390 2.138 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@H](C)C(C)C)no1 21871732 MORKJKJJFTXKED-WDEREUQCSA-N 313.423 2.204 0 40 DEAB NC(=O)CSc1ccc2nnc(-c3ccc(Cl)cc3)n2n1 4164276 SGQCXYIKNCMESJ-UHFFFAOYSA-N 319.777 2.022 0 40 DEAB Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCC[C@@H]3C)c(O)nc12 101063708 ZFHFNTZNOGLWQN-JQWIXIFHSA-N 315.373 2.017 0 40 DEAB C[C@H]1CN(C(=O)c2ccccc2-n2ccnn2)C[C@@H](C)S1 97372363 LLTXAECCFHCKSN-TXEJJXNPSA-N 302.403 2.233 0 40 DEAB CCc1cc2c(N3CCN(C(=O)C4CC4)CC3)ncnc2s1 30763742 SFTBDZLDVMVCIU-UHFFFAOYSA-N 316.430 2.312 0 40 DEAB Cc1ccc([C@@H](NC(=O)CN2CSCC2=O)C2CC2)cc1 31957562 JOQRXONBAMTBJA-MRXNPFEDSA-N 304.415 2.095 0 40 DEAB CC(C)[C@H](C)NC(=O)NCCC(=O)N1CCc2sccc2C1 52141363 VKSXDTHFXFKHOS-LBPRGKRZSA-N 323.462 2.367 0 40 DEAB CN(CCCOc1ccccc1)CC(=O)NC(=O)NC(C)(C)C 32913828 WPMLMCJXIIQOSF-UHFFFAOYSA-N 321.421 2.012 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)NC2CCC(O)CC2)c1 32958357 GGZPRADHFWLGPD-XCVCLJGOSA-N 305.374 2.137 0 40 DEAB Cc1noc([C@@H]2CCCN(Cc3noc(C(C)(C)C)n3)C2)n1 52862933 LHTRNZQYMYFAGH-LLVKDONJSA-N 305.382 2.438 0 40 DEAB CN[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 53202053 BIOGVACBTIVNPU-SNVBAGLBSA-N 315.186 2.412 0 40 DEAB CCn1cc(/C=C2\NC(=S)N(c3cccc(C)c3)C2=O)cn1 2783596 QEFVSFUAUHUBHJ-ZSOIEALJSA-N 312.398 2.474 0 40 DEAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cccc2c1OCO2 89949047 SGDARMLJDCPRIZ-UKRRQHHQSA-N 304.390 2.152 0 40 DEAB Cc1c(C(=O)NCc2ccnc(OC3CCCC3)c2)cnn1C 42061393 TWFQTUYDRVZNRD-UHFFFAOYSA-N 314.389 2.375 0 40 DEAB COc1ccc(C(=O)NC[C@H](O)C(C)(C)C)cc1OC(F)F 79111443 UXTICNMRYOAPKL-LBPRGKRZSA-N 317.332 2.433 0 40 DEAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)OC 4169160 RDHVGBPWXOUVKJ-UHFFFAOYSA-N 321.402 2.451 0 40 DEAB NC(=S)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 6423000 YLTXRGCJXDLAFM-UHFFFAOYSA-N 315.354 2.323 0 40 DEAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1 6533407 TVMOVYSVSRNIRW-SECBINFHSA-N 318.402 2.403 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)NCc3ccccc3)C2)n1 54702927 MPLNWAWDWJDDKW-CQSZACIVSA-N 300.362 2.467 0 40 DEAB CN1CCC(NC[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 519697101 DVLDKLQLRAUTCF-KRWDZBQOSA-N 320.477 2.408 0 40 DEAB Cc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)n(C)n1 43435137 RSHHHJHKMQUETA-CYBMUJFWSA-N 317.393 2.280 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)NC[C@H](C)c1ccccc1 25714427 WVWWGBQVLPTYCT-JTQLQIEISA-N 311.341 2.358 0 40 DEAB S=C(NCc1cn2ccccc2n1)N[C@H]1C[C@H]2CC[C@H]1C2 107325695 JIQUAZKWKGVUQN-OBJOEFQTSA-N 300.431 2.487 0 40 DEAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)N1CCOCC1 57632480 OKQCOUUQYQOPRX-GFCCVEGCSA-N 304.173 2.321 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1 10237702 KVQZIZIQDHSBPH-CYBMUJFWSA-N 307.419 2.098 0 40 DEAB Nc1nc(N)c2c(-c3ccc(O)cc3)c3c(nc2n1)CCCC3=O 20673516 ZXLYFDMZJJQAPT-UHFFFAOYSA-N 321.340 2.081 0 40 DEAB COc1ccc([C@@H](C)NC[C@@H]2CNc3ccnn3C2)cc1F 58305869 MLHUHLFIVJIQHV-VXGBXAGGSA-N 304.369 2.423 0 40 DEAB Cc1ccc([C@@H](CNC[C@H]2CNc3ccnn3C2)N(C)C)cc1 58304917 REPRLXGMSDSSGS-DOTOQJQBSA-N 313.449 2.126 0 40 DEAB CCC[C@@](CCC(=O)OC)(C(=O)OCC)c1csc(N)n1 2477882 ZAUYDTNANLYZLL-AWEZNQCLSA-N 314.407 2.280 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N(C)Cc2nnc3n2CCC3)o1 48364162 UFYSKMDHPHAWOB-NSHDSACASA-N 303.366 2.028 0 40 DEAB CC[C@H](C)NC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O 3467598 KEEDQINHUKLLRH-ZETCQYMHSA-N 310.703 2.435 0 40 DEAB CCc1nnc2c(S(=O)(=O)Nc3ccc(C)cc3)cccn12 62592002 QDSSUTQGUZFYAH-UHFFFAOYSA-N 316.386 2.401 0 40 DEAB NC(=O)c1nccnc1C(=O)N1CC2(CCCC2)c2ccccc21 82972607 JLXRCKVHEREVCP-UHFFFAOYSA-N 322.368 2.048 0 40 DEAB COCc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)C[C@@H](C)N2 95471712 VMDZWAIGLVZWQN-MFKMUULPSA-N 318.377 2.235 0 40 DEAB CSCC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)C(=O)O 4000322 GOBBMNJYCBONRZ-LBPRGKRZSA-N 320.414 2.423 0 40 DEAB biogenic O=C(Cn1cncn1)NC1(c2ccc(Cl)c(Cl)c2)CC1 49431982 NWCPWXJPDJDNDI-UHFFFAOYSA-N 311.172 2.390 0 40 DEAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)OC(C)(C)C 6083132 YONIOTOSGNPSAF-UVTDQMKNSA-N 319.357 2.049 0 40 DEAB Cc1ccsc1CCCC(=O)N1CCN(C(=O)N(C)C)CC1 95431629 YHMZPHCLPBSNEB-UHFFFAOYSA-N 323.462 2.205 0 40 DEAB CCOc1cccc(CNc2cc(C(N)=O)c(F)cc2F)n1 96009483 CIBSFBCEGALIFS-UHFFFAOYSA-N 307.300 2.470 0 40 DEAB CN(CCc1ccccc1)C(=O)c1cccc(OCC(=O)O)c1 95464116 IUKNDULCXHUVPT-UHFFFAOYSA-N 313.353 2.465 0 40 DEAB Cc1nnnn1-c1cc(NC(=O)CCc2ccco2)ccc1F 65523674 IYOKHNJBRVDVAG-UHFFFAOYSA-N 315.308 2.274 0 40 DEAB CN1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cn2)CC1 14109656 WDSZCOONHJTQRD-CQSZACIVSA-N 300.406 2.128 0 40 DEAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1nnc(-c2cccs2)o1 14108463 SLJHBTOQBOKCJR-NXEZZACHSA-N 315.354 2.249 0 40 DEAB COc1cc(C)c(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1OC 14113376 IXZKAFCKFAFFCV-GFCCVEGCSA-N 323.393 2.034 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1F 6610850 XVEGPFXNAZLEBW-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB COC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 6914360 MAOFWLVAAAUHMB-UHFFFAOYSA-N 313.309 2.497 0 40 DEAB COc1ccc(-c2noc(CN3C[C@@H](C)O[C@H](C)C3)n2)cc1 15255146 ZOMYHFAGIMKFOT-VXGBXAGGSA-N 303.362 2.354 0 40 DEAB Cc1ccc(-c2noc([C@@H](C)SC[C@@H](O)CO)n2)cc1F 95407585 PNDBQOYMTBOAGO-KOLCDFICSA-N 312.366 2.332 0 40 DEAB Cc1nc(Cl)cc(N2CCOC[C@@H]2c2c(C)nn(C)c2C)n1 95458768 LWJPCAPJQLZVOL-GFCCVEGCSA-N 321.812 2.367 0 40 DEAB Cc1c(NC(=O)NCC(C)(C)C(N)=O)cccc1OC(F)F 71854969 UDYRTJPJHAZMIN-UHFFFAOYSA-N 315.320 2.229 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)CCc2cscn2)c1 71869927 LPPKKRHEZYJHOQ-CQSZACIVSA-N 304.419 2.272 0 40 DEAB O[C@H](COCc1ccccc1F)Cn1cc(-n2cccc2)cn1 95438872 CCGDLBQGUTWWGO-INIZCTEOSA-N 315.348 2.391 0 40 DEAB CC1CCN(c2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 71913845 IHPACQDUNZGECJ-UHFFFAOYSA-N 309.373 2.345 0 40 DEAB CCCN(CCC)C(=O)CCCC(=O)OCc1nonc1C 71913680 HGBFALSMMBFKJX-UHFFFAOYSA-N 311.382 2.240 0 40 DEAB CC[C@@H](NC(=O)NCCCn1cc(C)cn1)c1nccs1 71915884 AOBVQPOFKZMZHT-GFCCVEGCSA-N 307.423 2.489 0 40 DEAB COCCCCC(=O)NC[C@@](C)(O)c1ccc(F)cc1F 71907902 VWDIUUOMZIVRIV-OAHLLOKOSA-N 301.333 2.105 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@H](C(=O)NC2CC2)c2ccccc2)c1 69654171 JPKKWEJDKKBFSE-PBHICJAKSA-N 312.417 2.190 0 40 DEAB C[C@H](c1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69739710 JGCWZGKNRAHMEF-VQIMIIECSA-N 311.429 2.494 0 40 DEAB C[C@@H](NC(=O)c1cnccn1)c1nc(-c2ccncc2)cs1 72275217 RQOWHNZNEVGDHL-SNVBAGLBSA-N 311.370 2.486 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2[C@H](C(N)=O)c2ccccc2)c1 72253307 WMFJRRJGLOWFBN-SJORKVTESA-N 312.417 2.273 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)COC3CCCCC3)C2)n1 72235477 SIQKNLCDHFHWMZ-HNNXBMFYSA-N 320.437 2.408 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)COc2cccc(Cl)c2C)C1 72290085 GTMCKIRVTOKANJ-ZDUSSCGKSA-N 324.808 2.154 0 40 DEAB Cc1ccsc1CNC(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 72270713 WTTKOMRMUJINCJ-CYBMUJFWSA-N 318.446 2.275 0 40 DEAB Cc1csc([C@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1 72298770 UWFOIRQPKLHUET-ZDUSSCGKSA-N 304.419 2.134 0 40 DEAB O=C(Nc1cc(F)cc(Cl)c1)NC1CCS(=O)(=O)CC1 97166070 ARZSIDMPTXKPSK-UHFFFAOYSA-N 320.773 2.178 0 40 DEAB Cc1cc(CN[C@H]2c3ccccc3C[C@@H]2O)ccc1-n1cncn1 85332982 IUDDFOSURUCYME-OALUTQOASA-N 320.396 2.324 0 40 DEAB C[C@H](NCC1(O)CCSCC1)c1ccc([S@@](C)=O)cc1 95968219 TVUBTMHMJQSEDV-YUNKPMOVSA-N 313.488 2.333 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1nc(C2CC2)no1 75133597 YGDJPZPMWNXDDD-UONOGXRCSA-N 318.421 2.312 0 40 DEAB CCNc1cc2c(nn1)CCN(C(=O)[C@@H]1C[C@@H]1c1ccco1)C2 75129163 GGEWSCAFIAPLSP-QWHCGFSZSA-N 312.373 2.190 0 40 DEAB COc1ccc(C(=O)Nc2cnc3cc(C)ccn3c2=O)cc1 408608415 PLRQJWFOHWYUGA-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB CCOC(=O)C1=NN(c2ccc(C)c(Cl)c2)[C@@H](C(=O)O)C1 71979336 ZDMYAVREFVAYLM-GFCCVEGCSA-N 310.737 2.231 0 40 DEAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O2 524732366 VWMAWOBJVYTODT-SNVBAGLBSA-N 319.744 2.494 0 40 DEAB CC(C)CN1C[C@H](C(=O)Nc2n[nH]c3ccccc23)CC1=O 78371063 UVIZTOVIHGQJCY-LLVKDONJSA-N 300.362 2.006 0 40 DEAB C[C@H](CO)N1CCCN(Cc2cnc(-c3ccccc3)o2)CC1 1548453725 VSIDWGOLGAPDLI-OAHLLOKOSA-N 315.417 2.230 0 40 DEAB CCOc1cc(N2CCN(C(=O)C3CCCCC3)CC2)ncn1 122477521 RNSTZVZNYBWOSO-UHFFFAOYSA-N 318.421 2.104 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)CCCc1cccs1 79051918 YFFYROCJGCVIJC-UHFFFAOYSA-N 317.476 2.400 0 40 DEAB CCNC(=O)c1ccc(NC[C@@H](O)c2cccc(F)c2)nc1 79030989 GSPNQVNQLUBFJQ-CQSZACIVSA-N 303.337 2.116 0 40 DEAB CC(C)OC(=O)c1ccc(NC(=O)c2cc[n+]([O-])cc2)cc1 46085496 ZXQGYTUTZJIVKY-UHFFFAOYSA-N 300.314 2.138 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 47032724 WDSRACNCQFUNON-INIZCTEOSA-N 322.405 2.407 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)COc3ccccc3C)C2)n1 41122141 MROKOJQPWLCHGJ-CQSZACIVSA-N 315.373 2.471 0 40 DEAB COc1ccc(CCN2CCN[C@@H]3CCCC[C@@H]32)cc1OC 225711997 PCDYWXSLJODRRH-CVEARBPZSA-N 304.434 2.463 0 40 DEAB Cc1cccc([C@H]2C(=O)NCCN2Cc2ccccc2C(=O)O)c1 565669546 FSWQQHZOEBVCND-KRWDZBQOSA-N 324.380 2.366 0 40 DEAB CNC(=O)CC1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1 528739250 ZVQKEMJXRHSZEJ-UONOGXRCSA-N 306.431 2.226 0 40 DEAB CCC[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CCc2nnnn2CC1 571336440 IDOKUXQLJJSCDP-KFWWJZLASA-N 319.453 2.348 0 40 DEAB COc1ccc(OC)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1 42646632 KFCSBKHWCBAZIV-AAEUAGOBSA-N 320.389 2.337 0 40 DEAB CNC(=O)CN(Cc1ccccc1)C[C@H](O)c1cccs1 88616472 INDICTXWHOXBNR-AWEZNQCLSA-N 304.415 2.030 0 40 DEAB CCOC(=O)c1cnn2cccc(I)c12 196356978 VFZDWCYRVGDZBK-UHFFFAOYSA-N 316.098 2.116 0 40 DEAB CN(Cc1nc(C(=O)O)co1)[C@@H]1CCCN(c2ccccc2)C1 577737518 VPHHKUJKVNRAAM-CQSZACIVSA-N 315.373 2.474 0 40 DEAB NC(=O)CCN(Cc1ccccc1)c1nccc(C(F)(F)F)n1 95428517 IWMSGTRREWQEQD-UHFFFAOYSA-N 324.306 2.377 0 40 DEAB Cn1cc(CNC(=O)Nc2cc(Cl)cc3c2OCC3)cn1 97380027 OXPMYTWMCDDVFD-UHFFFAOYSA-N 306.753 2.330 0 40 DEAB CC[C@@H](C(=O)Nc1ccc2nc(C)oc2c1)N1CCCC1=O 96436011 OOGWOVKSNXEONC-ZDUSSCGKSA-N 301.346 2.476 0 40 DEAB O=C(C1=CCCC1)N1CC[C@@]2(C[C@@H](N3CCCC3)CCO2)C1 96209267 VLEPDPREPHUDHM-FUHWJXTLSA-N 304.434 2.343 0 40 DEAB COc1cccc(N2C[C@]3(CCN(c4cnccn4)C3)CC2=O)c1 96238926 ZRYJIKUNWYEKKW-GOSISDBHSA-N 324.384 2.119 0 40 DEAB CC(C)NC(=O)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238410 UGPIZVYJCXCQHL-QGZVFWFLSA-N 301.390 2.233 0 40 DEAB CCC1(CC)[C@H](NC(=O)N(C)CC2CC(O)C2)[C@H](C)[C@H]1OC 249135738 WUJZHEZIWHZPMG-HTXSYXIBSA-N 312.454 2.238 0 40 DEAB CCn1c(=O)c(-n2nc3ccccc3n2)cc2ccc(N)cc21 255189310 PBOWLBBUWSFYMI-UHFFFAOYSA-N 305.341 2.338 0 40 DEAB CC(C)COC[C@H](C)NC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@H]2C1 252477792 VPEVIOBGWRHLJO-LUKYLMHMSA-N 323.481 2.173 0 40 DEAB O=C(CCSc1ccccc1)N1CC[C@H](n2nccn2)C1 253472471 MOYWPRHMHBVELB-ZDUSSCGKSA-N 302.403 2.234 0 40 DEAB CN(C(=O)/C=C/c1ccccc1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257293105 QOCWDTLTWFUVKN-BFQPPVISSA-N 314.429 2.146 0 40 DEAB O=C(N[C@@H](Cc1ccncc1)C(=O)O)C1CCC(F)(F)CC1 655597968 XVMDKCKYSMGOKS-LBPRGKRZSA-N 312.316 2.019 0 40 DEAB Cc1ccccc1OC[C@@]1(O)CCN(Cc2c[nH]nc2C)C1 585273924 GQLXBDSWBUNANQ-QGZVFWFLSA-N 301.390 2.042 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2CCC(N(C)C)CC2)c1 65459404 GENYEZMQDQTVEA-UHFFFAOYSA-N 315.417 2.203 0 40 DEAB CC(C)Cn1nnnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 29593942 AGYGWQKHYPWSNR-RYUDHWBXSA-N 311.455 2.116 0 40 DEAB O=C(NCCN1CCCCC1)C1(c2ccccc2)CCOCC1 44529657 RRFLTBWZBFJMIS-UHFFFAOYSA-N 316.445 2.337 0 40 DEAB Cc1cc(CC(=O)NC2(c3cccc(F)c3)CCOCC2)no1 72533709 NKOAGNKWDQBRKL-UHFFFAOYSA-N 318.348 2.487 0 40 DEAB CCCc1noc([C@H](C)N2CCn3c(nnc3C3CC3)C2)n1 78788045 SZNRWQYYRJULBS-JTQLQIEISA-N 302.382 2.068 0 40 DEAB CC1(C)CN(C(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)C1(C)C 80407923 CZXFRCGGDPLBKX-GFCCVEGCSA-N 304.390 2.275 0 40 DEAB COc1ccc(OC)c(C2=NO[C@H](C(=O)NC(C)(C)C)C2)c1 5030713 IURWNHIPBKYKKA-AWEZNQCLSA-N 306.362 2.112 0 40 DEAB CCc1nnc(SCC(=O)Nc2ccccc2C(C)C)n1N 5555134 ZSFRDHCXXLXTTH-UHFFFAOYSA-N 319.434 2.409 0 40 DEAB CCC(CC)NC(=O)CSc1nnnn1-c1cccc(F)c1 5795862 KVCBOFVKPDYWGU-UHFFFAOYSA-N 323.397 2.198 0 40 DEAB CO[C@@H]1CCN(C2CCN(C(=O)c3cc(C)oc3C)CC2)C1 575605090 HKSJYFOSAJGYIY-OAHLLOKOSA-N 306.406 2.222 0 40 DEAB C#C[C@@](O)(c1ccc(OC)cc1)c1ccc(N2CCOCC2)cc1 34579246 OXKXYKALLANWHA-FQEVSTJZSA-N 323.392 2.401 0 40 DEAB O=C(N1CCC2(C=C[C@@H](N3CCOCC3)CC2)CC1)C1(F)CC1 1565549953 KQGIYHVQQWXSEE-OAHLLOKOSA-N 322.424 2.148 0 40 DEAB O=C(Nc1nnc(-c2ccno2)o1)c1cc2ccccc2oc1=O 12234449 VTFAUZZDPDSEHS-UHFFFAOYSA-N 324.252 2.083 0 40 DEAB O=C(NCc1cccs1)c1c(O)c2ccccc2[nH]c1=O 12416051 WFURYDVJMDDYGW-UHFFFAOYSA-N 300.339 2.225 0 40 DEAB CCc1nccn1CC1CN(c2cc(C(F)(F)F)ncn2)C1 2086883002 QVKJIFKGBHMMOO-UHFFFAOYSA-N 311.311 2.391 0 40 DEAB COc1ccc(C[C@@](C)(O)CNC(=O)c2cccs2)cc1 75155506 QBJHDCMSMUECLW-MRXNPFEDSA-N 305.399 2.480 0 40 DEAB C[C@H]1CN(c2ccc(NC(=O)N3CCOCC3)cc2)C[C@@H](C)O1 50081902 OSSKVYVSMQNKCN-OKILXGFUSA-N 319.405 2.164 0 40 DEAB CN(CCn1c(=O)oc2ccccc21)C(=O)C1[C@@H]2CCC[C@@H]12 101465949 MOSFHTMZIWMTOA-VXGBXAGGSA-N 300.358 2.099 0 40 DEAB COC(=O)c1ccc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1 20898799 GBZZJKXJDYXUGN-ZDUSSCGKSA-N 317.370 2.279 0 40 DEAB Cc1noc(C)c1CCC(=O)NCc1ccc2c(c1)OCCO2 32897806 OSVAOWSEJHUDQQ-UHFFFAOYSA-N 316.357 2.312 0 40 DEAB O=C(NCCc1ccccn1)c1cc(Cl)c2c(c1)OCCO2 21774222 FNCIGQDRYGQCRV-UHFFFAOYSA-N 318.760 2.479 0 40 DEAB O=c1[nH]nc(CN(c2ccccc2)C2Cc3ccccc3C2)[nH]1 92643123 CHNAGTHSXVOEOU-UHFFFAOYSA-N 306.369 2.272 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 582498 FXRFDVHXIYIJPI-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB CC(=O)N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 53356568 DERKARLYZJKOSB-UHFFFAOYSA-N 313.357 2.036 0 40 DEAB O=C(NCc1ccncc1)[C@H]1CCCN1C(=O)C1CCCCC1 47343621 PZIZKZSGKMMRDT-MRXNPFEDSA-N 315.417 2.269 0 40 DEAB COc1ccc(NC(=O)[C@@H](C)SC2=NCCN2)cc1Cl 1792185 QZDDPXIJCWTOCB-MRVPVSSYSA-N 313.810 2.368 0 40 DEAB O=C(Cc1ccc(-n2cnnn2)cc1)NC1CCCCCCC1 47440403 PTUTTWNWDPYWLO-UHFFFAOYSA-N 313.405 2.434 0 40 DEAB O=C(OCc1cc(=O)n2ccsc2n1)c1cccc(F)c1 3542604 HXMPMCDNQLAMFU-UHFFFAOYSA-N 304.302 2.252 0 40 DEAB COc1cccc(NC(=O)c2cc(F)ccc2-n2cnnn2)c1 12406491 MDODQFICRFESGI-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB NC(=O)COc1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 23055432 JFSMYISKQYJRJW-RMKNXTFCSA-N 314.316 2.342 0 40 DEAB O=C(COc1ccc(F)cc1)NC[C@@H]1COc2ccccc2O1 6260956 CKSAJZTUHYNHKL-CQSZACIVSA-N 317.316 2.161 0 40 DEAB CN(Cc1ccccc1)C(=O)c1ccc(S(C)(=O)=O)cc1 8324929 HSEFBNZDZBFKOP-UHFFFAOYSA-N 303.383 2.362 0 40 DEAB CC(=O)c1sc(N2CCN(c3nccs3)CC2)nc1C 54861654 RDTDDZHAPRBCSR-UHFFFAOYSA-N 308.432 2.437 0 40 DEAB CC(C)N1C[C@@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O 72285976 VLZMAWYHHFQRMU-STQMWFEESA-N 321.446 2.454 0 40 DEAB COc1ccc([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1C 9313562 BGPFEKHKFDMLJE-OAHLLOKOSA-N 307.357 2.450 0 40 DEAB O=C(N[C@]1(C(=O)O)CCSC1)c1cc(Cl)ccc1F 43503753 AFCUXUVMVODJBK-GFCCVEGCSA-N 303.742 2.169 0 40 DEAB c1ccc(-c2nc(CN3CCn4c(nnc4C4CC4)C3)no2)cc1 72268832 PPBYTPVSNYPYSN-UHFFFAOYSA-N 322.372 2.221 0 40 DEAB CN(C)C(=O)CCNC(=O)N1CCC[C@H]1CCc1ccccc1 56879427 QIMQNDXRWMZKSM-INIZCTEOSA-N 317.433 2.272 0 40 DEAB Cc1cccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[nH]2)c1C 57523519 ZQPQALPDPXRLFI-AWEZNQCLSA-N 322.372 2.177 0 40 DEAB C[C@@H](SC[C@@H](O)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58278281 JGEKHAATZCISKI-DGCLKSJQSA-N 324.446 2.466 0 40 DEAB Cc1cc2c(cc1N)=N[C@H](c1ccc(Br)cc1)N=2 103533551 PYJQTBYKKOSZNW-CQSZACIVSA-N 302.175 2.291 0 40 DEAB COCCOC(=O)c1c(C)oc2ccc(OCC(=O)OC)cc12 2125599 SYKVXLJVXXJYAM-UHFFFAOYSA-N 322.313 2.096 0 40 DEAB biogenic CC(C)N(C)C[C@H]1CC[C@]2(COCCN(Cc3ccoc3)C2)O1 107739545 YXKRTJQHLWGKCE-MSOLQXFVSA-N 322.449 2.370 0 40 DEAB CCCOc1ccc(S(=O)(=O)N[C@H](C)Cn2cccn2)cc1 45742088 IOGJEFSSUHNNQQ-CYBMUJFWSA-N 323.418 2.039 0 40 DEAB Cc1csc([C@H]2CCCN(C(=O)COC[C@H]3CCCO3)C2)n1 72298876 DCBMPNPYIIINLQ-UONOGXRCSA-N 324.446 2.353 0 40 DEAB CCC[C@H](C)CS(=O)(=O)NCc1cccnc1-n1cccn1 72282345 OYOVTZZIMCJXJA-ZDUSSCGKSA-N 322.434 2.123 0 40 DEAB O=C(Nc1cccnc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 72294325 BZTYJBFLLLYVHT-ZIAGYGMSSA-N 315.760 2.346 0 40 DEAB COc1ccc(NC(=O)CSc2nncn2C)cc1Cl 3620315 WHCGHXFZCBANNJ-UHFFFAOYSA-N 312.782 2.208 0 40 DEAB O=C(Oc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1)c1ccco1 3651415 KMZOGWVAUXDYSK-AAEUAGOBSA-N 319.338 2.287 0 40 DEAB COC(=O)NCC(=O)N[C@H]1CCSc2ccc(Cl)cc21 49347212 FNJWOHFKPZANLL-JTQLQIEISA-N 314.794 2.349 0 40 DEAB COc1cccc(C(=O)N[C@H](C)CN2CCC[C@H](C)C2)c1O 97667670 QWEXALFXQVKOHB-QWHCGFSZSA-N 306.406 2.251 0 40 DEAB Cc1cc(C)n(CCCNCc2cn(C)nc2-c2cccnc2)n1 97159694 AEHCRRFQBLQVAV-UHFFFAOYSA-N 324.432 2.475 0 40 DEAB Cc1csc([C@@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)n1 65463320 SHYRBHPABORXJD-AWEZNQCLSA-N 317.414 2.124 0 40 DEAB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)CCCO 97165323 IDCCUMLXTYOVQK-NSHDSACASA-N 314.813 2.380 0 40 DEAB Cc1nc(C)c(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)s1 97164951 BDRWHTLUKUIINT-UHFFFAOYSA-N 318.464 2.045 0 40 DEAB CC[C@@H](CO)n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O 6473403 NXHLWUWLYVEPPG-QMMMGPOBSA-N 310.375 2.020 0 40 DEAB C[C@@H](NC(=O)Nc1cc(F)ccc1F)C(=O)NCc1ccco1 65621755 KPYGJCHFMSUAKR-SECBINFHSA-N 323.299 2.384 0 40 DEAB CC[C@@H]1C[C@@H](C(=O)Nc2cc3c(=O)[nH]cnc3cc2F)CCO1 97109411 MRFGGMKKTZDEQT-VHSXEESVSA-N 319.336 2.206 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2cccc(N(C)C)c2)C1 5660279 SIFVVVPUZGRLSW-ZIAGYGMSSA-N 318.417 2.414 0 40 DEAB CCC(CC)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccnc1)C(=O)OC 72303007 UYQRXUOMRZCTOS-KFWWJZLASA-N 304.390 2.279 0 40 DEAB CC(C)[C@H](NC(=O)N1CCCN(C=O)CC1)c1ccc(F)cc1 9594896 IUMXJHRZPHTEDP-INIZCTEOSA-N 321.396 2.397 0 40 DEAB NC(=O)c1ccc(Cn2nnc(-c3ccc(Cl)cc3)n2)cc1 16119870 CTHGHZUCCBZANS-UHFFFAOYSA-N 313.748 2.141 0 40 DEAB O=C(CCn1cnc2ccccc21)N1CCN2CCCC[C@H]2C1 71839951 AYZKGMIURONOCE-HNNXBMFYSA-N 312.417 2.123 0 40 DEAB O=C(Cc1csc(N2CCCC2=O)n1)NCc1ccccc1 7918454 XSVFVERAMVAAET-UHFFFAOYSA-N 315.398 2.129 0 40 DEAB CC(C)c1nc(CCNC(=O)N[C@@H]2C=C[C@H](CO)C2)cs1 81491235 OMAFVEGIERKWAL-NWDGAFQWSA-N 309.435 2.045 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@H]2Cn2nc(C)cc2C)[nH]n1 71870125 FTCZJHUCIITABI-HNNXBMFYSA-N 315.421 2.480 0 40 DEAB O[C@H](COc1ccc2ccccc2c1)CN1CC(n2cccn2)C1 71877120 CHMCZHJNAHVTFR-SFHVURJKSA-N 323.396 2.333 0 40 DEAB CCc1c(C(=O)NC[C@H](O)C2CC2)cnn1-c1ccc(F)cc1 83817570 VEXMVPCSUIHKRX-INIZCTEOSA-N 317.364 2.075 0 40 DEAB Cc1ccc(CCC(=O)NCC(=O)NC(C2CC2)C2CC2)cc1 69393200 DGXQYVQWLYRRMQ-UHFFFAOYSA-N 314.429 2.349 0 40 DEAB Cn1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cn1 71928187 KXBDRMLYRHVVGG-AWEZNQCLSA-N 313.357 2.169 0 40 DEAB CN(CCCc1nc2ccccc2o1)C[C@@H]1CCS(=O)(=O)C1 71920956 ABHIVGUNXIHPRS-ZDUSSCGKSA-N 322.430 2.127 0 40 DEAB COCCc1nnc2sc(-c3ccc(OC)c(OC)c3)nn12 8392563 NCRZNDKJCSFGBJ-UHFFFAOYSA-N 320.374 2.059 0 40 DEAB Cc1ccccc1-c1noc(CN2CCC[C@@H]2Cn2cncn2)n1 69621063 SZNAXFBJGLCBQH-CQSZACIVSA-N 324.388 2.301 0 40 DEAB C[C@H](N[C@@H]1CCc2ncnn2C1)c1nc(-c2cccs2)no1 69737438 ISAGUPGIYABCGK-VHSXEESVSA-N 316.390 2.055 0 40 DEAB C[C@@H](CCc1ccc(F)c(F)c1)NC(=O)c1ccc(O)nn1 69896132 XEIWJMXJCHPTGK-VIFPVBQESA-N 307.300 2.212 0 40 DEAB CC(C)C[C@H](O)CNC(=O)Nc1ccccc1Cn1cccn1 69968651 ZQXKHSDYHBNSJD-HNNXBMFYSA-N 316.405 2.460 0 40 DEAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@H](n2ccnc2)C1 69918852 FTZDBPGPRBIPPK-AWEZNQCLSA-N 323.356 2.410 0 40 DEAB CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@H](C(=O)O)C1 95424087 XMHFCKWMRYBCPP-AAEUAGOBSA-N 309.337 2.306 0 40 DEAB Cc1cc(C)n(-c2ccc(NCCOC[C@@H]3CCCO3)nc2)n1 84105172 JOTOYJSIPUYCJW-INIZCTEOSA-N 316.405 2.492 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)C[C@@H]1CCOc2ccccc21 95424202 DDFIFMZSRIRIMM-GXTWGEPZSA-N 303.358 2.409 0 40 DEAB CC(C)OC(=O)CCCNC(=O)[C@@H](C)n1cnc2ccccc21 95943239 FBVBFTZVJIRDJL-CYBMUJFWSA-N 317.389 2.445 0 40 DEAB O=C(NCCn1ccccc1=O)c1ccccc1C(F)(F)F 95958966 ILXIXZRQXWBUJR-UHFFFAOYSA-N 310.275 2.297 0 40 DEAB C[C@H](C(=O)Nc1nnc(/C=C/c2ccco2)s1)n1cncn1 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1565524694 SUJVLRVXEJXRSI-UHFFFAOYSA-N 324.384 2.209 0 40 DEAB COc1cc(NC(=O)N2[C@H]3CC[C@@H]2COC3)cc(OC)c1OC 75166561 DHYQTUCBWLWCLY-TXEJJXNPSA-N 322.361 2.108 0 40 DEAB c1cnc(Nc2nccc([C@H]3CCCN3Cc3ncc[nH]3)n2)cn1 72378056 PHHJYSVTQYCKDW-CYBMUJFWSA-N 322.376 2.070 0 40 DEAB COC[C@@H](O)CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 75863408 MMAYZFQMOKUUGN-CJNGLKHVSA-N 312.841 2.026 0 40 DEAB Cc1occc1COC(=O)c1ccc(N2CCNC2=O)cc1 73536349 LFYUASZNYDWBMB-UHFFFAOYSA-N 300.314 2.475 0 40 DEAB COc1ccc(CC(=O)N2CCNC[C@@H]2c2ccccc2)cc1 313339687 FQXAHPGYZZWMPO-GOSISDBHSA-N 310.397 2.411 0 40 DEAB COc1cc(-c2noc([C@@H]3CCCNC3)n2)cc(OC)c1OC 72265102 RICQIGWFQKPCIV-SNVBAGLBSA-N 319.361 2.229 0 40 DEAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Br)cc1F 42645823 HREDFMGTJYFFCU-SSDOTTSWSA-N 317.158 2.441 0 40 DEAB CSCC[C@@](C)(O)CNC(=O)NCc1ccc(F)cc1 75157681 DYGOKSMDXOPFCW-CQSZACIVSA-N 300.399 2.129 0 40 DEAB Cc1ccccc1N(CC(=O)O)S(=O)(=O)c1cccs1 225119746 YTBCBKIYJZVEJK-UHFFFAOYSA-N 311.384 2.336 0 40 DEAB CC1(C)C[C@H](NCc2cc(=O)n3ccsc3n2)C(C)(C)O1 132559659 KCRITHQCRNQDNK-NSHDSACASA-N 307.419 2.192 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cccnc1C(F)(F)F 194733266 IXMBYDLFSUGXGV-STQMWFEESA-N 322.286 2.489 0 40 DEAB CCn1nc(C)c2c1cnn2CC(=O)NCc1ccccc1C 41123894 JXUWOTFJPFVCSQ-UHFFFAOYSA-N 311.389 2.186 0 40 DEAB CCOC(=O)/C=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1 40542251 UUKXNFSFZVXNIV-UXBLZVDNSA-N 321.354 2.170 0 40 DEAB CCOC(=O)c1ccc(I)cc1OC 45957470 JJJXJFTVEKPFAA-UHFFFAOYSA-N 306.099 2.477 0 40 DEAB O=C(CCn1ncc2ccc(Cl)cc21)NC[C@@H]1CCCO1 96181980 GGCDYWGEOSMVTD-ZDUSSCGKSA-N 307.781 2.375 0 40 DEAB O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccco1)C2 96048697 GCGDEQQWMMGJDV-QGZVFWFLSA-N 312.373 2.089 0 40 DEAB CCN(CC)C(=O)c1cccc(OC(=O)c2cn(C)nc2C)c1 96423062 ARMHSEHPRYGDRA-UHFFFAOYSA-N 315.373 2.430 0 40 DEAB CSC[C@@](C)(O)CNC(=O)CCn1ccc2ccccc21 96414688 KDXNECJDMJOFFK-INIZCTEOSA-N 306.431 2.262 0 40 DEAB c1cnc(N2CC[C@@H](OCC3CC3)[C@@H]2Cc2cccnc2)nc1 96069843 CBQRJFIVKBIGRQ-DLBZAZTESA-N 310.401 2.488 0 40 DEAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccncc1)C2 96056829 RNYCRENMPMGYFV-RDJZCZTQSA-N 304.390 2.129 0 40 DEAB COC(=O)c1cc(Br)cc(C(=O)CCl)c1O 95725469 BIFIHCOXTFGJCQ-UHFFFAOYSA-N 307.527 2.363 0 40 DEAB c1cncc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)c1 96047955 DXFOLTYPABODIY-QGZVFWFLSA-N 301.434 2.301 0 40 DEAB O=C1N(c2cncnc2)CC[C@]12CCCN(Cc1ccoc1)C2 96224558 MPTWUUCPSQWPCT-KRWDZBQOSA-N 312.373 2.089 0 40 DEAB Cc1nc(CN2CCC3(C2)CN(CC2CCOCC2)C3)cs1 96202517 BVNOORPGMGNSCU-UHFFFAOYSA-N 321.490 2.386 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 248112102 YNKBEPPADOZUBF-KFWWJZLASA-N 309.431 2.429 0 40 DEAB Cc1nccc([C@H]2CN(C(=O)Cc3ccccc3F)CCO2)n1 257201572 AIEVANBUZCJPPO-MRXNPFEDSA-N 315.348 2.067 0 40 DEAB C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CCN1Cc1ccco1 253591109 JSSCPPJWFIERQC-GFCCVEGCSA-N 314.389 2.193 0 40 DEAB COCc1cccc(C(=O)N2CCC[C@H]2c2ccnc(O)n2)c1 257291230 QGEQJAIMEMNYLS-HNNXBMFYSA-N 313.357 2.306 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 257304995 SNZBZXXRGRKFKQ-CQSZACIVSA-N 315.421 2.397 0 40 DEAB Cc1cc(OCC(=O)O)ccc1NC(=O)Cc1c(C)noc1C 263071088 ZPFKBESYIWBKIH-UHFFFAOYSA-N 318.329 2.244 0 40 DEAB C[C@@H](C(=O)Nc1ccc(Br)cc1)N1CCOCC1 25266238 YOVNWOWQXFSPNT-JTQLQIEISA-N 313.195 2.108 0 40 DEAB O=C(NCCn1cnc(C2CC2)cc1=O)c1ccc(Cl)cc1 390829530 ZPPQWXLNEGZMCB-UHFFFAOYSA-N 317.776 2.204 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCC3(CCC(=O)NC3)CC2)c1 585102125 ACUSVPZPOBRLSN-UHFFFAOYSA-N 300.402 2.436 0 40 DEAB c1ccc(CN2CCC[C@@H](c3nc(Cn4ccnn4)no3)C2)cc1 585140802 LABSOXPZAVJVOA-OAHLLOKOSA-N 324.388 2.089 0 40 DEAB C/C=C(\C)C(=O)NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 585139659 NKIJNOBKXBOQCV-ONNFQVAWSA-N 320.370 2.421 0 40 DEAB COCC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 29907593 DQOIAYYLQUWMOI-UHFFFAOYSA-N 318.352 2.396 0 40 DEAB C[C@H](NC(=O)CC1CCN(C)CC1)c1nc(C(C)(C)C)no1 96012432 NWAKGOBCUCUFJI-NSHDSACASA-N 308.426 2.276 0 40 DEAB Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)no1 91842443 SQCXGGXDIYIYCY-JTQLQIEISA-N 322.390 2.223 0 40 DEAB COc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1 12296907 HINLRMHSSBNGLU-UHFFFAOYSA-N 310.309 2.431 0 40 DEAB biogenic CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c1 13154227 FGBLYDJPOBIQAJ-GEEKYZPCSA-N 323.348 2.314 0 40 DEAB Cc1cc(C)n(CCCNS(=O)(=O)c2ccc(F)cc2)n1 14238176 PDJYUKUDSJHXAF-UHFFFAOYSA-N 311.382 2.008 0 40 DEAB Cn1ccc(C(=O)N2CCC[C@H](C(=O)c3cccs3)C2)n1 19290951 UZMCVLDNGBVANR-NSHDSACASA-N 303.387 2.217 0 40 DEAB c1csc([C@@H](c2nnnn2C2CCCC2)N2CCOCC2)c1 19343023 JZFZKZOWGMEMGC-AWEZNQCLSA-N 319.434 2.271 0 40 DEAB COc1ncccc1-c1cc(=O)[nH]c(N2CCC[C@@H](C)C2)n1 19496633 OUWSWULBQXOMQV-LLVKDONJSA-N 300.362 2.077 0 40 DEAB Cc1ccc(-n2nnc(CC(=S)N3CCOCC3)c2C)cc1 19813836 PFHBYQAZWSGHQQ-UHFFFAOYSA-N 316.430 2.086 0 40 DEAB O=C(c1ccccc1)N1CCCC[C@@H]1CCN1CCOCC1 19902020 FAMIATHAHAMEPV-QGZVFWFLSA-N 302.418 2.404 0 40 DEAB Cc1cccn2cc(CCNC(=O)c3ccc(O)cc3F)nc12 164405535 UTIPMZAWVGHKRD-UHFFFAOYSA-N 313.332 2.460 0 40 DEAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc([N+](=O)[O-])c1O 6354872 IPCVDHCJTPZTJA-POHAHGRESA-N 324.314 2.365 0 40 DEAB C[C@H]1CCc2c(sc3ncnc(NCCOCCO)c23)C1 1778468 AONBETIFMISDRG-JTQLQIEISA-N 307.419 2.237 0 40 DEAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CCC[C@@H](n2cncn2)C1 571097223 QBMWKPFRTOQJJB-ZIAGYGMSSA-N 320.780 2.394 0 40 DEAB O=C(c1cc(F)ccc1F)N1CCN(c2nccs2)CC1 11187104 SVUNUHZSUIAGMB-UHFFFAOYSA-N 309.341 2.384 0 40 DEAB O=C1CN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CCN1 23420382 UNZWFJFZGVRCBD-UHFFFAOYSA-N 321.336 2.067 0 40 DEAB Cc1cc(CNC(=O)c2ccccc2Br)ncn1 585360094 VDQKAYBUPBDQSU-UHFFFAOYSA-N 306.163 2.478 0 40 DEAB Cc1cccnc1C(=O)N1CC2(C[C@H](NCC3CC3)CS2)C1 2056224523 UHJCHSMNFKBIQF-AWEZNQCLSA-N 317.458 2.090 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@]2(O)CCCc3occc32)c1 1565522805 RALRPANYIZNLSO-GOSISDBHSA-N 314.385 2.300 0 40 DEAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 1509429 MZCBGVDHMWNHCR-UHFFFAOYSA-N 322.320 2.367 0 40 DEAB COC(=O)Nc1nc(CC(=O)NCc2cccs2)cs1 12440350 WBPFSAUOROSYHA-UHFFFAOYSA-N 311.388 2.242 0 40 DEAB O=C(NCCn1ccn2nc(-c3ccco3)cc12)c1cccnc1 206748862 HIFLETWXYAWDTN-UHFFFAOYSA-N 321.340 2.221 0 40 DEAB C[C@@H](CCO)NC(=O)c1ccccc1NC(=O)c1ccccc1 75170 XDDKWCGBUDJSKV-ZDUSSCGKSA-N 312.369 2.440 0 40 DEAB O=C(NCCCN1CCCC1=O)NCCc1cccc(Cl)c1 40476239 YTDAFILZYIOKIE-UHFFFAOYSA-N 323.824 2.194 0 40 DEAB Cc1nc(CCNC(=O)[C@@H]2COc3ccccc3C2)cs1 40489825 XOMYTCHEMCEVEK-ZDUSSCGKSA-N 302.399 2.362 0 40 DEAB CCN(CCO)C(=O)c1sc(COc2ccccc2)nc1C 20428087 HJHNVUDIOXKWAZ-UHFFFAOYSA-N 320.414 2.485 0 40 DEAB Cc1nc(Cc2ccccc2)sc1C(=O)NCCN(C)C 31867942 SEMVEIYRZHOIHV-UHFFFAOYSA-N 303.431 2.334 0 40 DEAB COc1cc(/C=C/C(N)=O)ccc1OCc1c(C)noc1C 33029047 AXAAHEIKKBPQSS-FNORWQNLSA-N 302.330 2.378 0 40 DEAB CCN(CC)[C@@H](C)CNC(=O)c1cc(C)nc2c1c(C)nn2C 32922976 YBEFRZPFLRONRC-LBPRGKRZSA-N 317.437 2.045 0 40 DEAB CCCc1cc(C(=O)OCC)c(NC(=O)/C=C/C(=O)O)s1 2767841 HZIREAUKVMPFQQ-VOTSOKGWSA-N 311.359 2.457 0 40 DEAB CCc1cnc(CN(C)[C@H]2CCN(CC3CCOCC3)C2)o1 78891885 IWNOLIAVQRBSEU-HNNXBMFYSA-N 307.438 2.170 0 40 DEAB COc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(C)=O 1691461 CSYGAHOOYZOKHK-MRXNPFEDSA-N 312.369 2.381 0 40 DEAB CN(C)CCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 6882413 LMAYCZDKFHIJDA-UHFFFAOYSA-N 321.465 2.021 0 40 DEAB Cc1nnc(S/C(=C\c2ccccc2OCC#N)C(=O)O)o1 7603761 ZQQWNGCXJNUUQC-WQLSENKSSA-N 317.326 2.498 0 40 DEAB CC(=O)Nc1cccc(N[C@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c1 12514429 CAMOURGHACJTSA-FRRDWIJNSA-N 319.405 2.081 0 40 DEAB Cc1cn2nc(N(C)CC(=O)Nc3cccc(F)c3)sc2n1 55104128 SBLGLSBEPMVEKF-UHFFFAOYSA-N 319.365 2.313 0 40 DEAB O=C(c1cnc2ccccn2c1=O)N1CCC[C@@H]1C1CCCC1 56034906 BCDZYVCLTNKIDT-OAHLLOKOSA-N 311.385 2.489 0 40 DEAB Cc1occc1C(=O)NCC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107314302 SJHCJPYEJVHXBD-IHRRRGAJSA-N 304.390 2.260 0 40 DEAB C[C@H](O)CNCc1cc(Br)c2c(c1)OCCCO2 35601419 MDPHHCZLKBKMOQ-VIFPVBQESA-N 316.195 2.081 0 40 DEAB CC(C)n1cc(NC(=O)N2CCN(C(=O)C(C)(C)C)CC2)cn1 84633162 QXFAYHADNJVGOA-UHFFFAOYSA-N 321.425 2.186 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H]1CN1CCCC1 58379538 SDVXBYUBEOKULT-KRWDZBQOSA-N 314.429 2.251 0 40 DEAB 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WDGGHSFZKCFGAK-UHFFFAOYSA-N 304.438 2.215 0 40 DEAB CCS[C@@H]1CC[C@H](NC(=O)NC[C@](C)(O)c2ccco2)C1 84811844 SYXYDUXRMLSOIH-ZOWXZIJZSA-N 312.435 2.461 0 40 DEAB CCOc1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3)n1 84810968 CNGWMICNRUNVKP-UHFFFAOYSA-N 313.357 2.300 0 40 DEAB CNS(=O)(=O)c1cccc([C@@H](C)NCc2ccccc2)c1 67010458 FRNPEYIRLNBPBI-CYBMUJFWSA-N 304.415 2.446 0 40 DEAB Cc1ccc(-n2c(C)nnc2S[C@@H](C)C(=O)N(C)C)cc1 6975589 RNFYSMZZQILSAJ-NSHDSACASA-N 304.419 2.453 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cccc2ccccc12 21667963 JAVYOYDAAZBCPE-OAHLLOKOSA-N 318.398 2.202 0 40 DEAB Cc1noc(C)c1NC(=O)NCc1ccnc(-n2cccn2)c1 71799539 SOEGKHHLBGDMRT-UHFFFAOYSA-N 312.333 2.194 0 40 DEAB CC[C@](C)(CO)NC(=O)COc1ccc(Br)cc1 80878181 VFEBASVSDNHXAN-CYBMUJFWSA-N 316.195 2.105 0 40 DEAB FC(F)CN1CCC(NC[C@H]2COc3ccccc3O2)CC1 96476348 RPTOKSDVLUPTDF-ZDUSSCGKSA-N 312.360 2.146 0 40 DEAB Oc1nnn(-c2ccccc2)c1CN1CCO[C@H]2CCCC[C@@H]21 71823996 DVIMJFDNOIDPDD-HOCLYGCPSA-N 314.389 2.116 0 40 DEAB CCOCCO[C@H](C)C(=O)NC(C)(C)c1ccc2c(c1)OCO2 69369726 QOTDNIVHNUYWIO-GFCCVEGCSA-N 323.389 2.208 0 40 DEAB COc1ccc(-c2nc(CCNC(=O)c3cnccn3)co2)cc1 69586429 XAFOTVUYVPHRNW-UHFFFAOYSA-N 324.340 2.113 0 40 DEAB CCN(C(=O)CN1CCCC[C@H]1C1OCCO1)c1ccccc1 69517198 OIKVFHYQGZAQSA-INIZCTEOSA-N 318.417 2.267 0 40 DEAB COc1cccc(NC(=O)N(CCO)Cc2cccnc2)c1 69697719 DERGBXZSTMMLFO-UHFFFAOYSA-N 301.346 2.117 0 40 DEAB c1ccc(-n2ccc(CN3CCC[C@@H](Cn4cncn4)C3)n2)cc1 69849455 HLMXJMVLEUFFKS-MRXNPFEDSA-N 322.416 2.376 0 40 DEAB C[C@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1cccc(F)c1 8747848 DOYRZVWALYINNM-GFCCVEGCSA-N 321.396 2.143 0 40 DEAB CC(C)n1ccnc1CN1CCC[C@H]1CC(=O)c1cnn(C)c1 95977661 YHTFETXWYOLJAM-HNNXBMFYSA-N 315.421 2.435 0 40 DEAB C[C@H](O)[C@@H]1CCN(C(=O)NCCOc2ccccc2Cl)C1 97108063 OQHGLGMIMTUXIK-NWDGAFQWSA-N 312.797 2.131 0 40 DEAB Cn1ncc2c(NCc3ccn(-c4ccccc4)n3)ncnc21 97159072 HXWBVSIDAUTOBQ-UHFFFAOYSA-N 305.345 2.161 0 40 DEAB Cc1nc2n(c1C)CCN([C@@H](C)C(=O)NC1CCCCC1)C2 97201463 WSLZZBDMBHDEFV-AWEZNQCLSA-N 304.438 2.153 0 40 DEAB CN(C)CCN(C)C(=O)NC[C@H]1C[C@]12CCc1ccccc12 89314261 ZHAXOPFNCKLCIM-CRAIPNDOSA-N 301.434 2.094 0 40 DEAB COc1ccc([C@H](C)NC(=O)c2cccc(=O)n2C)cc1F 89904688 DDAQSOPRLWMOIG-JTQLQIEISA-N 304.321 2.024 0 40 DEAB CCOCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 409411396 WBUZFBJFXRMMOR-CSKARUKUSA-N 323.389 2.268 0 40 DEAB CCc1cc(NC(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)no1 1553070680 BQECYJCIKSTBLZ-NSHDSACASA-N 319.365 2.415 0 40 DEAB CC(C)CNC(=O)NC(=O)CNc1ccc(F)cc1Cl 9455484 TWESFYYPPKGPBH-UHFFFAOYSA-N 301.749 2.373 0 40 DEAB NC(=O)C1CCC(CNC(=O)N2C[C@H]3CCCC[C@H]3C2)CC1 79036294 BDKFESDQPAPQCV-ZMYVRHLSSA-N 307.438 2.110 0 40 DEAB COc1cccc(CC(=O)NC[C@H](O)c2cccc(OC)c2)c1 74559340 YKJOABWNXROWPN-KRWDZBQOSA-N 315.369 2.096 0 40 DEAB CCCCOc1ccc(C)cc1S(=O)(=O)N1CCOCC1 41091979 MWNIIARATIJAQE-UHFFFAOYSA-N 313.419 2.195 0 40 DEAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)C1CC1)C2 225487206 TUSNVCKFIFAWPY-AWEZNQCLSA-N 300.358 2.463 0 40 DEAB biogenic,in-vitro CS(=O)(=O)Cc1nc2ccccc2n1CCN1CCCCC1 194377218 UNTWZYDRVYEVPT-UHFFFAOYSA-N 321.446 2.067 0 40 DEAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCO[C@H](C)C1 47987723 DEFNPFFYSCQAOA-GFCCVEGCSA-N 317.389 2.140 0 40 DEAB CN(C)[C@@H]1CCN(CC2CCOCC2)[C@H]1Cc1ccncc1 96061740 AJIJLYJOVIHCIP-MSOLQXFVSA-N 303.450 2.055 0 40 DEAB CCc1nnc2n1C[C@@H](NCc1ccc(-n3ccnc3)cc1)CC2 97199513 ZFMUEJDXKKWTQS-HNNXBMFYSA-N 322.416 2.131 0 40 DEAB C[C@H](C(=O)N(C)C)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96415724 LLPIOTHOZRIAPQ-OCCSQVGLSA-N 306.381 2.197 0 40 DEAB CN(Cc1ccncc1)[C@H]1CCC[C@@H]2CN([C@@H]3CCOC3)C[C@@H]21 96183104 QSSNFRSHMCKRHT-YRXWBPOGSA-N 315.461 2.403 0 40 DEAB Cc1ccc(N2CC[C@@H]3[C@@H]2CCN3C(=O)c2occc2C)nn1 96064072 MDLOVUUQVAZBKT-UONOGXRCSA-N 312.373 2.180 0 40 DEAB O=C(N[C@@H]1CN(Cc2cccs2)C[C@@H]2CCCO[C@@H]21)C1CC1 97953465 QLDMAZFHIRUOBU-IMJJTQAJSA-N 320.458 2.254 0 40 DEAB COc1ccc(C)nc1NC(=O)NC[C@@H](c1ccco1)N(C)C 97378569 GFGOUCDSCFHTBE-LBPRGKRZSA-N 318.377 2.416 0 40 DEAB CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1cccs1 248031847 TZDISLJCDSEHBM-UAGQMJEPSA-N 324.490 2.306 0 40 DEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@H]3C(=O)O)NC2=O 247919540 CCWUXQHRZFPQNH-ZYYNGRNUSA-N 317.341 2.035 0 40 DEAB Cc1cc(N2CCC[C@H]2c2nccnc2-c2nccn2C)ncn1 257209600 BQZSWUDVOBXZSH-ZDUSSCGKSA-N 321.388 2.317 0 40 DEAB CN1CCC(Cc2ccccc2)(C(=O)NC2CCOCC2)CC1 257227040 FNJIDXPYTBKQNZ-UHFFFAOYSA-N 316.445 2.236 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)CCc3c(C)n[nH]c3C)C2)n1 257335387 YJXZGWWUFRAQCM-AWEZNQCLSA-N 315.421 2.017 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)ccn1 257261291 LGOZEXKTNMOSJO-OAHLLOKOSA-N 322.372 2.372 0 40 DEAB C[C@@H](C(=O)NCc1csc(=O)[nH]1)[C@H]1OCCc2sccc21 294840749 FHUVDTAQIUXLME-PRHODGIISA-N 324.427 2.064 0 40 DEAB O=C(CN1CCCCCC1=O)NCC1(c2ccccc2)CC1 25324969 HVIPKKWRNXIMHK-UHFFFAOYSA-N 300.402 2.237 0 40 DEAB C[C@H](C(=O)N[C@H](C)CO)c1ccc(C[C@H]2CCCC2=O)cc1 575444024 RIWVCVGYZLJODS-DVOMOZLQSA-N 303.402 2.199 0 40 DEAB COC[C@H]1CCn2cncc2CN1C(=O)Cc1ccc(C)cc1 585098165 VKADWWGRTSJVMH-MRXNPFEDSA-N 313.401 2.182 0 40 DEAB CN(C(=O)c1ccc(-c2ccc(F)cc2)o1)[C@@H]1CC[C@@H](O)[C@@H]1O 585269123 LYDIBQYBEXNRRS-XJKCOSOUSA-N 319.332 2.042 0 40 DEAB Cc1nnc2n1CCN(C(=O)C1(c3cccc(F)c3)CCC1)C2 69458503 OARAPMGEUAZMOM-UHFFFAOYSA-N 314.364 2.190 0 40 DEAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H](n2ccnc2)C1 71796548 YWAIWILFLOBEQR-CQSZACIVSA-N 322.368 2.202 0 40 DEAB CC[C@H](C)[C@@H](CO)NC(=O)Nc1cccc(OCCOC)c1 71921465 MBPGQCHIRWXLLT-SWLSCSKDSA-N 310.394 2.240 0 40 DEAB COc1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1F 35326277 HHOWTAZRDICLBY-INIZCTEOSA-N 314.360 2.247 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cc(C)on2)cc1 48912648 CIIZNTXNIKUWDF-NSHDSACASA-N 315.373 2.441 0 40 DEAB COCCCN1CCCN(C(=O)CCCC(F)(F)F)CC1 95457703 QDPNOQGARFYEFI-UHFFFAOYSA-N 310.360 2.290 0 40 DEAB COC(=O)[C@@H]1CN(Cc2cc(F)cc3cccnc23)C[C@@H](C)O1 89496928 OKJZGDDFTDXCFK-ABAIWWIYSA-N 318.348 2.136 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1ccc(=O)[nH]c1)c1ccsc1 40089496 WCTHJGXFTAGIPX-CQSZACIVSA-N 319.430 2.249 0 40 DEAB CN(C(=O)C1CCC1)c1nc2c(s1)CCc1c-2cnn1C 12146132 PRQDOERLAAKIEC-UHFFFAOYSA-N 302.403 2.405 0 40 DEAB Cc1nc2cc([C@H]3CCN(Cc4cccnc4)C3)nn2c(O)c1C 12222896 GNHKREWISPMGCX-HNNXBMFYSA-N 323.400 2.436 0 40 DEAB Cn1c2ccc(F)cc2c2ncn(Cc3cccnc3)c(=O)c21 13207122 KRWRDBIYJHMQQI-UHFFFAOYSA-N 308.316 2.471 0 40 DEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1N[C@@H]1CCN(c2ccccc2)C1=O 153618978 VVHHGIRHDJVRCF-FPCVCCKLSA-N 300.402 2.195 0 40 DEAB CC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1 13259516 WNOJJDVXKVOAEG-UHFFFAOYSA-N 312.325 2.273 0 40 DEAB CCOc1ccc(C(=O)N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cn1 1888854336 ZLZGOLJHGAESHW-GJZGRUSLSA-N 315.417 2.037 0 40 DEAB NC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F 22624032 BWRYSDVHSXMBFB-CQSZACIVSA-N 319.311 2.183 0 40 DEAB O=C(NCc1cccs1)N[C@H]1CC(=O)N(c2ccccc2)C1 4359875 XQNYUSNHHKJJKU-LBPRGKRZSA-N 315.398 2.353 0 40 DEAB O=C1Cc2cc(NS(=O)(=O)c3ccc(F)cc3F)ccc2N1 9572785 KQAHISBRRBXQGP-UHFFFAOYSA-N 324.308 2.260 0 40 DEAB CCN1C[C@@H]2CN(C(=O)c3cccc(Cl)c3C)C[C@@H]2C1=O 2055773122 YYDZIWMSEHYGIV-YPMHNXCESA-N 306.793 2.199 0 40 DEAB COC(=O)c1ccccc1C(=O)N1CCC[C@H]1c1nc(C)no1 90679647 JBGJNQSTCSDOOZ-ZDUSSCGKSA-N 315.329 2.142 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NCCCN1CCCC1=O 40525019 CWVDPIANEUFTBA-UHFFFAOYSA-N 309.435 2.317 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1c[nH]ccc1=O 40527847 QOBVEEZDSLZZHW-UHFFFAOYSA-N 302.378 2.025 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)N[C@@H](C)[C@H]3CCCO3)cc2c1 40519886 QKVDWNWNQRRGQW-IINYFYTJSA-N 318.373 2.482 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)N1CCc2ccccc21 101286352 SAUZXUNTWRNGJU-HGDXVPPDSA-N 309.365 2.345 0 40 DEAB Cc1ccc(CNC(=O)CCNC(=O)Cc2ccccc2)cc1 32878880 JTBJHGROBBFOAI-UHFFFAOYSA-N 310.397 2.360 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)Cc1ccco1 33208506 PBBAJLZVMVCNBH-GFCCVEGCSA-N 321.398 2.434 0 40 DEAB COc1cc(C(=O)N2C[C@@H](C)C(=O)C[C@H]2C)cc(OC)c1OC 501166 UAYQPVIWWHEFLV-GHMZBOCLSA-N 321.373 2.152 0 40 DEAB Cc1ccc(OC(F)F)c(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1 103155289 OCXKRFIXCDPEGI-NDBYEHHHSA-N 323.295 2.263 0 40 DEAB CC(C)CO[C@@H](C)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 42496957 OUUICNQBISBIMX-STQMWFEESA-N 308.426 2.243 0 40 DEAB COc1nc(C)cc(C)c1CNc1c(C)c(C)nc2ncnn12 77216471 MIZHJNYSXMRLQQ-UHFFFAOYSA-N 312.377 2.374 0 40 DEAB Cc1cc(CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)no1 78964484 GVDDHYBNBFEQOT-UHFFFAOYSA-N 316.361 2.200 0 40 DEAB C[C@H](CNC(=O)c1nc2ccccc2[nH]1)CC1(C)OCCO1 78991623 LHNKKXMPVUGGJU-NSHDSACASA-N 303.362 2.082 0 40 DEAB Cn1cnn(CN2CCN(c3cccc(Cl)c3)CC2)c1=S 53492097 ARCIWADZGZGYBV-UHFFFAOYSA-N 323.853 2.384 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)n[nH]1 78902568 AFSANXJDXAYMTP-UONOGXRCSA-N 314.389 2.287 0 40 DEAB O=S1(=O)C[C@@H]2N=C(Nc3ccccc3Cl)S[C@H]2C1 3907048 DCCHZFRJFOZWKY-UWVGGRQHSA-N 302.808 2.020 0 40 DEAB CCC[C@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 6946849 XCBXQSJMQKMLFU-QWHCGFSZSA-N 312.435 2.146 0 40 DEAB CCCNCc1cc(Cl)c(OCC(N)=O)c(OCC)c1 7262316 GNSTZVYKXOREPR-UHFFFAOYSA-N 300.786 2.102 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2cn(C)c3ccccc23)no1 7702546 LCOGTHGHBUGGLV-UHFFFAOYSA-N 313.313 2.270 0 40 DEAB O=C(CN1CSCC1=O)Nc1ccccc1N1CCCCC1 23792980 UMCFVHIPNQORDB-UHFFFAOYSA-N 319.430 2.148 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C)n1C 106037484 HSVMNVALGRYPQL-IPYPFGDCSA-N 304.390 2.280 0 40 DEAB O=C(NC[C@H]1CCN(C2CC2)C1)c1cncc(Br)c1 47892615 GBDNYLRXEBGXIQ-SNVBAGLBSA-N 324.222 2.058 0 40 DEAB O=C(/C=C/c1cccc2cccnc12)NCCNc1cnccn1 56497241 FYLRYYDHJOCKDP-VOTSOKGWSA-N 319.368 2.266 0 40 DEAB O=C([C@@H]1CC=CCC1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 25817668 XIWKJAMQUGNCJJ-ZIAGYGMSSA-N 323.414 2.152 0 40 DEAB Cc1cnc(C(=O)NC2(c3noc(C)n3)CCCCC2)cn1 26491373 KYPVFIIVKVFKKM-UHFFFAOYSA-N 301.350 2.066 0 40 DEAB CNC(=O)[C@H](C)OC(=O)c1cccnc1Oc1ccccc1 26591522 USABEVNOWYDPHK-NSHDSACASA-N 300.314 2.165 0 40 DEAB C[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)C[C@@H](C)O1 12540381 ZJGQSHRFLIXCMG-TXEJJXNPSA-N 303.337 2.261 0 40 DEAB COC(=O)c1cc(NCc2c(C)noc2C)cc(C(=O)OC)c1 26782175 OESGUUMOWONNGL-UHFFFAOYSA-N 318.329 2.477 0 40 DEAB Cc1ccccc1CN1CCC2(CC1)CC(NS(C)(=O)=O)C2 108531397 KAKCEMHUZNXYJS-UHFFFAOYSA-N 322.474 2.289 0 40 DEAB CC(C)C[C@@H](CN(C)C)NS(=O)(=O)CCc1ccccc1 97166159 PDEBDWHHPXEDRO-INIZCTEOSA-N 312.479 2.125 0 40 DEAB COc1ccc(NC(=O)CN2C[C@@H](C)OC[C@@H]2C)cc1Cl 27639690 NCGYWUWPLQNRHX-WDEREUQCSA-N 312.797 2.396 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)CN(C)Cc2ccccc2)cc1 58245613 YOPBMTNWOODZEV-SFHVURJKSA-N 312.413 2.277 0 40 DEAB C[C@@H]1CCCCN1S(=O)(=O)N(C)Cc1nc2ccccc2[nH]1 28037443 PCVMACMPGDVSEF-GFCCVEGCSA-N 322.434 2.114 0 40 DEAB COCCn1cc(NC(=O)NCCOc2cccc(C)c2)cn1 36398390 RZGYWZDJQVMKAF-UHFFFAOYSA-N 318.377 2.038 0 40 DEAB CCOC1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCO3)CC1 59932089 YNTPIXOQNWJECY-GFCCVEGCSA-N 320.389 2.243 0 40 DEAB CCCc1cc(=O)[nH]c(SCC(=O)N2CCCCCC2)n1 12765911 ORHHTFYZRNVFRJ-UHFFFAOYSA-N 309.435 2.217 0 40 DEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 3314759 IVRWUPMFOXRMAW-UHFFFAOYSA-N 324.380 2.499 0 40 DEAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H]2CCS(=O)(=O)C2)cc1 4159092 CHTBFKFXKXJLHJ-LLVKDONJSA-N 321.320 2.077 0 40 DEAB C[C@@H]1C[C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1 95455981 OFCJNJFCFZUEOV-IUODEOHRSA-N 314.389 2.461 0 40 DEAB CCc1cc(N[C@H]2CCCCNC2=O)nc(-c2ccccn2)n1 65566316 NBEZCGHLNQIXOL-AWEZNQCLSA-N 311.389 2.182 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)Nc1ccccc1C(=O)OC)C(=O)OC 5348261 VYMJKAQJYDJFOV-GXFFZTMASA-N 322.361 2.182 0 40 DEAB CCCNC(=S)N1CCc2cc3c(cc2C1)OCCCO3 5347043 AHHUYJNXVWIYNF-UHFFFAOYSA-N 306.431 2.491 0 40 DEAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(=O)n(C)n1 6639308 SAMQKIKCUUYYIY-UHFFFAOYSA-N 315.373 2.339 0 40 DEAB Cc1nc(-c2ccccc2)[nH]c(=O)c1CC(=O)OCC(C)C 4995011 MVYZZLPDNPRKHG-UHFFFAOYSA-N 300.358 2.487 0 40 DEAB CCc1c(C(=O)O)nnn1-c1ccc(OC(F)(F)F)cc1 67323656 ZZKLEVJWNNKNRE-UHFFFAOYSA-N 301.224 2.427 0 40 DEAB in-vitro COC(=O)c1cc(NC(=O)CCc2cnn(C)c2)ccc1C 96445166 UPUWKOIJMBTSRU-UHFFFAOYSA-N 301.346 2.086 0 40 DEAB C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 96478052 ALPSXBROMPTHAP-UKRRQHHQSA-N 315.417 2.085 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)Cn2cnc3sccc3c2=O)[C@@H]1C 9513269 DWNXQWAGURSLLQ-WZRBSPASSA-N 319.430 2.399 0 40 DEAB Cc1nnc(SCc2cc(F)ccc2Br)n1N 70040270 XMZQZTAUKRUXAP-UHFFFAOYSA-N 317.187 2.494 0 40 DEAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(=O)[nH]c1 71815235 FJPHRVWXKCOHRF-CYBMUJFWSA-N 317.414 2.003 0 40 DEAB C[C@H](NCc1cn(C)nc1-c1cccnc1)[C@@H](C)n1cccn1 69376008 YCSSBRGDVQSNIO-UONOGXRCSA-N 310.405 2.418 0 40 DEAB C[C@@H](Cn1cccn1)N[C@H](C)C(=O)NCCC1=CCCCC1 69434629 OOMALDWFQAHTGC-LSDHHAIUSA-N 304.438 2.256 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1ccccc1F 71925915 GSQNXZHAIXNNBB-SECBINFHSA-N 311.382 2.216 0 40 DEAB Cc1cccc(C)c1OCC(=O)N1CC[C@](O)(C(F)(F)F)C1 98013055 MIHMHDUFLUSGPJ-CQSZACIVSA-N 317.307 2.208 0 40 DEAB CC[C@@H](Oc1ccccc1)c1nn2c(=O)c(C)nnc2s1 8400849 HJADTNXECPPUDO-LLVKDONJSA-N 302.359 2.385 0 40 DEAB CCCN(CCO)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 88618659 ONSGNQRVIMMMEU-QAPCUYQASA-N 302.418 2.304 0 40 DEAB CCn1nc(C)cc1C(=O)Nc1ccc2c(c1)S(=O)(=O)C=C2 69814002 CGFXJSVZDYXXRG-UHFFFAOYSA-N 317.370 2.222 0 40 DEAB COc1ccc2c(c1)C[C@@H](NCCOC[C@@H]1CCCO1)CC2 95973576 ZIODFZMKTBWMGZ-WMZOPIPTSA-N 305.418 2.338 0 40 DEAB Cn1cnnc1CCNC(=O)c1ccnc(SC(C)(C)C)c1 97048313 ZLOALABWMDHCEG-UHFFFAOYSA-N 319.434 2.073 0 40 DEAB CCO[C@H](C)c1noc(CN2CCC[C@H]2c2noc(CC)n2)n1 72290827 XCIKOMJXDQAKBU-MNOVXSKESA-N 321.381 2.450 0 40 DEAB Cc1ccc2cccc(OCC(=O)N(C)Cc3cnn(C)c3)c2n1 75092276 UBIXRCWKEXJVDF-UHFFFAOYSA-N 324.384 2.314 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75119706 JXJRPAGWPOGJST-CYBMUJFWSA-N 322.368 2.057 0 40 DEAB Cc1ccsc1CNC(=O)N1CCC[C@@H](c2nncn2C)C1 89702045 KRRYGJDCOOLEBQ-GFCCVEGCSA-N 319.434 2.274 0 40 DEAB Cc1noc(C)c1CO[C@H]1CCN(c2nnc(C3CC3)n2C)C1 554610722 BRIGBIQYMYMZCV-ZDUSSCGKSA-N 317.393 2.093 0 40 DEAB C[C@H]1CN(C/C=C/CN2C[C@H](C)C(=O)C[C@H]2C)[C@@H](C)CC1=O 36507728 AXZMGWWNXZUFCN-QEKYSWFISA-N 306.450 2.141 0 40 DEAB CSc1nnc(C)n1NC(=O)c1ccc(OC(C)C)cc1 33649827 XGNXZLBDKKJDPG-UHFFFAOYSA-N 306.391 2.480 0 40 DEAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1ncccc1O 127318529 JOWRAJWMJPRUMX-OAQYLSRUSA-N 304.371 2.226 0 40 DEAB CC(C)(C)Nc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217571324 IHCOSKMNKDGBKZ-UHFFFAOYSA-N 312.391 2.036 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)c1 565945613 VYASFBIMYKTJLC-OAHLLOKOSA-N 309.369 2.119 0 40 DEAB CC(C)O[C@H]1C[C@@H](N2C(=O)N[C@H](Cc3ccccc3)C2=O)C1 561261569 NQQLJVIXHDQDDO-QLFBSQMISA-N 302.374 2.106 0 40 DEAB Cn1ccc(C(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1=O 76918445 KXXVUPDSJSLPQF-KGLIPLIRSA-N 302.761 2.325 0 40 DEAB Cc1noc(C2CN(C(=O)c3ccccc3Br)C2)n1 49482371 QHSHTKGSOONXAU-UHFFFAOYSA-N 322.162 2.380 0 40 DEAB Nc1cc(C(=O)O)ccc1N1CCN(c2ccccc2F)CC1 225322928 GCWKKFBHURBNNB-UHFFFAOYSA-N 315.348 2.433 0 40 DEAB CCOC(=O)CCCC(=O)c1cccc(CN2CCOCC2)c1 43211059 MNGKFBYWBMRIIS-UHFFFAOYSA-N 319.401 2.435 0 40 DEAB Cc1nn(C)c2cn([C@H](C)C(=O)NCc3cccc(F)c3)nc12 40715057 IADXYSVLKOPCJF-LLVKDONJSA-N 315.352 2.095 0 40 DEAB CC(C)Cc1ncc(CNC(=O)NC[C@H]2CC[C@H](O)C2)s1 195578461 FFVKWPUQQXRSJK-RYUDHWBXSA-N 311.451 2.302 0 40 DEAB COc1ncccc1CN1CC[C@H](c2nc(C3CC3)no2)C1 576890357 UFQKYTBQHVMACH-ZDUSSCGKSA-N 300.362 2.340 0 40 DEAB COc1ccc(CCCN2CCC[C@@H]2C(=O)N(C)C)cc1F 195572815 BDSJFKYCKDIHPH-OAHLLOKOSA-N 308.397 2.320 0 40 DEAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1ccncc1 96201254 MCFDVGXEJZJKOT-CQSZACIVSA-N 308.389 2.100 0 40 DEAB CCn1cc2c(n1)CN(Cc1c(C)noc1C)C[C@@H]2COC 96045176 CDUMGSYXGIUIFT-CYBMUJFWSA-N 304.394 2.254 0 40 DEAB CCc1cc(NC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)[nH]n1 96436246 MNALNANSTAWESC-STQMWFEESA-N 313.357 2.486 0 40 DEAB CC(C)NC(=O)N1C[C@H](OCc2nc3ccccc3o2)[C@H](F)C1 96112008 XFAFEHLCNKKYRQ-RISCZKNCSA-N 321.352 2.485 0 40 DEAB biogenic,in-vitro O=C(O)Cc1sc(N2CCOCC2)nc1-c1ccc(F)cc1 95097136 HANMXNAOOAAMHG-UHFFFAOYSA-N 322.361 2.413 0 40 DEAB Brc1cnc2c(c1)nc([C@@H]1CCCO1)n2C[C@H]1CO1 95096487 FOXFPAJOSOHVHK-ONGXEEELSA-N 324.178 2.444 0 40 DEAB Cc1nc(C)c(CN2C(=O)c3ccccc3CS2(=O)=O)s1 96424889 AUWCNURNVSBTAE-UHFFFAOYSA-N 322.411 2.246 0 40 DEAB C[C@@H](CNC(=O)NCC(=O)N1CCCCC1)Cc1cccs1 96439221 BOWINHVJNACDDA-CYBMUJFWSA-N 323.462 2.238 0 40 DEAB O=C(NCCc1cccc(-c2ccccc2)c1)[C@@H]1COCCO1 96473380 UMILTDSJTAJQII-SFHVURJKSA-N 311.381 2.428 0 40 DEAB O=S(=O)(Nc1ccc(N2CCCCC2)cn1)c1cccnc1 96408038 NTDYLHUEHPDVNF-UHFFFAOYSA-N 318.402 2.268 0 40 DEAB c1csc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@@H]32)c1 247841335 QCQAOFFAMRPJHK-AEGPPILISA-N 304.419 2.019 0 40 DEAB C/C=C/C[C@@H](CO)NC(=O)[C@](O)(CC)c1cccc(Cl)c1 252479804 BMYIQNFXSBNXJA-WGFVLNOWSA-N 311.809 2.381 0 40 DEAB COCCN1CCC[C@@](C)(c2ccc3c(C)nn(C)c3n2)C1 257276179 NSQLTQGKDRLSAQ-QGZVFWFLSA-N 302.422 2.277 0 40 DEAB O=C(NCC[C@@H](O)c1ccoc1)c1ccc2nsnc2c1 90612901 BKNRUBBJFVGFCB-CYBMUJFWSA-N 303.343 2.138 0 40 DEAB COc1ncnc2c1CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 585110497 MAOBAHIERKHTLQ-KRWDZBQOSA-N 301.390 2.159 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(Cl)c(Cl)n1C 49090976 HUYGRJRDIAWJIS-HTQZYQBOSA-N 318.204 2.058 0 40 DEAB CCc1cnc(OC2CCN(c3ncncc3F)CC2)nc1 1776007973 PRIGOMUJDHWAON-UHFFFAOYSA-N 303.341 2.016 0 40 DEAB Cc1noc(CCC(=O)Nc2ccc(/C=C/C(=O)O)cc2)n1 95349924 CHMQGVUIOIRVED-RUDMXATFSA-N 301.302 2.047 0 40 DEAB CCN1C(=O)N[C@](C)([C@@H]2CCCN([C@H]3C=CCCC3)C2)C1=O 95402614 JHNZJGVWGILEAH-JKIFEVAISA-N 305.422 2.138 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nc(C)no1 106909241 JTAHDAHLQJIQGD-KWCYVHTRSA-N 306.410 2.304 0 40 DEAB C[C@@H](NC(=O)c1ccnc(Cl)c1F)C(=O)N1CCCCC1 95449093 PVCGFOBGTLTWHC-SECBINFHSA-N 313.760 2.005 0 40 DEAB CC(C)OCCS(=O)(=O)c1nccn1-c1cccc(F)c1 84621914 HOJLEQBTXKKKED-UHFFFAOYSA-N 312.366 2.210 0 40 DEAB CCCC(=O)N1CCC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 1615118827 DUOWGBUEUXHPMQ-GOSISDBHSA-N 316.401 2.211 0 40 DEAB COC(Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O)OC 5577408 XMGGCCRHZGSNRF-UHFFFAOYSA-N 307.737 2.150 0 40 DEAB CCOC(=O)[C@@H](C)n1nc(C)n2c(cc3sc(C)cc32)c1=O 12115326 XKHIFCJDJQAQJN-SECBINFHSA-N 319.386 2.452 0 40 DEAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1cccc(Cl)c1 12406215 NHLPBNKUCAMFFZ-HZSPNIEDSA-N 321.808 2.068 0 40 DEAB O=C(c1ccco1)N1CCC[C@@H]1c1nc(-c2ccncc2)n[nH]1 13266365 GJMZWVMZAFSHKV-GFCCVEGCSA-N 309.329 2.437 0 40 DEAB C[C@]12CN(Cc3ccccc3)C[C@H]1NC(=O)c1ccccc1[C@@H]2O 19576493 UCBYSXHYJYYCPA-HBFSDRIKSA-N 322.408 2.354 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F 19771471 UAJNIUOMKRDNNA-HZMVEIRTSA-N 306.333 2.044 0 40 DEAB O=C(O)CCCCCCC[C@@H](O)[C@H](O)CCCCCCO 3881331 MEHUJCGAYMDLEL-HUUCEWRRSA-N 304.427 2.466 0 40 DEAB biogenic,in-vitro Cc1ccccc1C1=NO[C@@H](CC2(C(=O)O)CCNCC2)C1 12157361 SLFRZDKWQQREJV-CYBMUJFWSA-N 302.374 2.333 0 40 DEAB NC(=O)c1cc2ccccc2nc1C1CCN(C(=O)C2CC2)CC1 12254365 PVNKUCSVYGNDKE-UHFFFAOYSA-N 323.396 2.450 0 40 DEAB CN(C(=O)c1c(F)cccc1F)C1CN(c2ccccn2)C1 1888859923 SAJJWNKFDFYCRB-UHFFFAOYSA-N 303.312 2.321 0 40 DEAB c1cnc(OCC2CCN(c3ccnc(C4CC4)n3)CC2)cn1 1889096017 FAMNEZMQAQBMAP-UHFFFAOYSA-N 311.389 2.439 0 40 DEAB O=C1CN(Cc2cc(C3CC3)on2)CCN1Cc1ccccc1 1889114224 BUIUWTHDJQAQSR-UHFFFAOYSA-N 311.385 2.396 0 40 DEAB CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)Cc1ccc(OC)c(F)c1 1565548747 INPWMQWVOVAUBH-ZENOOKHLSA-N 307.365 2.403 0 40 DEAB CCCCN[C@H](CC(=O)Nc1ccc(F)cc1F)C(=O)O 5258737 MCKFEUVBTATTQV-GFCCVEGCSA-N 300.305 2.136 0 40 DEAB COCCCNS(=O)(=O)c1cc(C(C)C)c(C)cc1OC 6667899 NQPOAKVNOSLGGC-UHFFFAOYSA-N 315.435 2.442 0 40 DEAB CN(C)Cc1noc2c1C[C@@H](NC(=O)c1ccccc1F)CC2 2055732351 CLARJHAAMGCFOK-NSHDSACASA-N 317.364 2.163 0 40 DEAB Cc1oncc1C(=O)N1CC[C@H](Oc2cnc3ccccc3n2)C1 618255225 NSDQUQQPKMWXPE-LBPRGKRZSA-N 324.340 2.220 0 40 DEAB Fc1ccc(CN2CCn3c(nnc3C(F)(F)F)C2)cc1 150925520 CLVXWXNFZTWSLJ-UHFFFAOYSA-N 300.259 2.452 0 40 DEAB O=C(C[C@@H]1C=CCC1)NC1CCN(C(=O)c2ccco2)CC1 40488098 KJOROKBLUZWPIH-CYBMUJFWSA-N 302.374 2.357 0 40 DEAB COc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@@H]32)[C@@H]1C(=O)O 100744262 WKXASDAMCFZKKX-ARMQCYDYSA-N 313.353 2.403 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@H](C)OCC(C)C)c1ccccc1 40541457 QRCDTWRBHGJZMP-ZFWWWQNUSA-N 307.390 2.468 0 40 DEAB CC1=NNC(=O)[C@H]1CCNC(=O)Cc1ccc2ccccc2c1 101128370 QBZFGXDYKAMTOK-INIZCTEOSA-N 309.369 2.011 0 40 DEAB CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 32205607 GCEIGOQTLRKBJP-OAHLLOKOSA-N 306.406 2.273 0 40 DEAB CN(C)[C@H](CNC(=O)c1cnn(C)c1)c1ccccc1Cl 21556881 MOLYHKVYQHJGOO-CQSZACIVSA-N 306.797 2.106 0 40 DEAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(F)c2)cn1 32924403 ZOAQYGGHESRGGU-UHFFFAOYSA-N 310.350 2.016 0 40 DEAB O=c1c(Cl)c(NC[C@@H]2CCCO2)cnn1-c1ccccc1 33012174 IYOOTKVGUIVTJT-LBPRGKRZSA-N 305.765 2.477 0 40 DEAB COC(=O)c1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 145796 SYHPPEAAXNNHMB-UHFFFAOYSA-N 300.097 2.036 0 40 DEAB CS(=O)(=O)Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1 2804222 WOYIBPUDIPBXPV-UHFFFAOYSA-N 319.308 2.322 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cn1 47223778 DXDYPYIRCAOSTP-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB CNS(=O)(=O)c1csc(C(=O)NCCCC(C)(C)C)c1 79013268 VXMVVFINGJFPJQ-UHFFFAOYSA-N 318.464 2.212 0 40 DEAB CC(C)[C@@]12C[C@@H](COCc3ccccc3)OC1=NC(=O)NC2=O 1563712 NMUBLEHIFUIDAZ-SUMWQHHRSA-N 316.357 2.283 0 40 DEAB O=C(NN1C(=O)CS[C@@H]1c1ccccc1F)c1ccncc1 1612813 ARLZSYPHXCQPAS-OAHLLOKOSA-N 317.345 2.140 0 40 DEAB O=C(CN1CCCc2ccccc21)NC(=O)NCc1ccco1 2638819 NATZGQCBSZCTNN-UHFFFAOYSA-N 313.357 2.058 0 40 DEAB CC(C)(C)c1csc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)n1 4124302 RUQGRUXMYOOQJC-MKHNBGRSSA-N 324.402 2.257 0 40 DEAB O=C(CSc1nc2ncccn2n1)NC1CCCCCC1 8980889 NOMNAVQGQQQXEM-UHFFFAOYSA-N 305.407 2.055 0 40 DEAB CCCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 6401468 BHUPMVGJJVMWNA-UHFFFAOYSA-N 324.446 2.391 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 23651120 WVZRQBSIMNGCIU-HYEKCJMVSA-N 318.398 2.386 0 40 DEAB CN(C)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1 12552794 GDJMTBSONQGRSP-UHFFFAOYSA-N 312.369 2.454 0 40 DEAB Cc1nc(N[C@@H]2CCS(=O)(=O)C2)c2c3c(sc2n1)CCC3 8401305 HWHZKMBUQXBPGV-SECBINFHSA-N 323.443 2.087 0 40 DEAB COc1ccc(Cc2nc(C(=O)N3CCOCC3)cs2)cc1 1384037 IUARCCYLBNUUOH-UHFFFAOYSA-N 318.398 2.215 0 40 DEAB Cc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1C 102786513 ISHYZIHYWOLSCT-KKNNLYGJSA-N 315.438 2.278 0 40 DEAB C[C@H](NC(=O)N[C@@H]1CCN(CC2CCCC2)C1)[C@H]1CCCO1 76084795 MEESYWPMEFQOTO-NUEKZKHPSA-N 309.454 2.118 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)CCc1nc(C(C)(C)C)no1 48262852 WVSXFYDQTVSKAH-GFCCVEGCSA-N 309.410 2.185 0 40 DEAB Cc1csc(NC(=O)C[C@H](NC(N)=O)c2ccccc2F)n1 48231407 MXQBXSXFGITCBW-NSHDSACASA-N 322.365 2.329 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 44333885 UGCWBKFITMAUCS-QWHCGFSZSA-N 304.390 2.049 0 40 DEAB O=C1C[C@H](SCCO)C(=O)N1c1cccc(C(F)(F)F)c1 101312581 OSNRPSXDTZSXCS-JTQLQIEISA-N 319.304 2.063 0 40 DEAB COc1cccc2c1N(C(=O)N1CCC[C@@H](C(=O)O)C1)CCC2 58046857 NOFDCGLPOAUFRQ-CYBMUJFWSA-N 318.373 2.364 0 40 DEAB CC(=O)N(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1C 100743336 ZXUGUDUGTMBHNG-NXNVCVFFSA-N 324.380 2.113 0 40 DEAB O=C(C1CC1)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 44867584 VOPAYPKAAUMGTG-UHFFFAOYSA-N 311.385 2.396 0 40 DEAB O=C(NCc1cc[nH]n1)[C@H]1CCCN(Cc2cccc(F)c2)C1 58294050 IJOAYLMOWDUPMZ-AWEZNQCLSA-N 316.380 2.077 0 40 DEAB C[C@@H](C(=O)NCc1ccc(Oc2ccccc2)nc1)n1cncn1 58265863 KNVVIDCSHYVEJJ-ZDUSSCGKSA-N 323.356 2.343 0 40 DEAB CC(C)Oc1ccccc1[C@H](C)NC(=O)C1=NN(C)C(=O)CC1 44953607 JYWUBVXSKIJNFW-LBPRGKRZSA-N 317.389 2.259 0 40 DEAB COC(=O)[C@@H](NC(=O)NCCc1ccc(Cl)cc1)C(C)C 2198825 JXRUUAPYQZVQJR-ZDUSSCGKSA-N 312.797 2.379 0 40 DEAB CC(=O)Nc1nc(CN2CC[C@H](Oc3ccncc3)C2)cs1 95428225 MWNMKQULLISUAW-AWEZNQCLSA-N 318.402 2.150 0 40 DEAB CCCN(C)c1ccc(C(=O)N[C@@H](C)C(=O)N2CCCC2)cc1 58326775 VCXCXKXSFXUPJU-AWEZNQCLSA-N 317.433 2.274 0 40 DEAB CC1=NN(c2ccc(C(=O)NO[C@@H]3CCCCO3)cc2)CC1 58415875 KQVZDFLLMNACHU-OAHLLOKOSA-N 303.362 2.461 0 40 DEAB CCCNC(=O)CC[C@@H]1N=C(O)N([C@H](C)c2ccccc2)C1=O 36594162 NWQUZHOYQPKQMI-OCCSQVGLSA-N 317.389 2.179 0 40 DEAB COC(=O)CCC(=O)Nc1cc(Cl)ccc1-n1cccn1 46725356 DQQXAWDUSXXLPJ-UHFFFAOYSA-N 307.737 2.417 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1cc(F)ccc1F)CS2 12942918 MCLJQKKWDAFDNI-RISCZKNCSA-N 312.341 2.357 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)Cc3n[nH]c4ccccc34)C2)c1 71186023 WWGMDFZYJCQSPS-AWEZNQCLSA-N 323.400 2.474 0 40 DEAB CCn1nnnc1S[C@@H](C)C(=O)N1c2ccccc2C[C@H]1C 9077054 KNCBUIWZGQKQJP-MNOVXSKESA-N 317.418 2.151 0 40 DEAB COc1cccc(NC(=O)COc2ccc(C(=O)O)cc2)c1 3884635 JLZDLGWJGAZARE-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB COc1ccc(CN2CCC[C@@H](CN3CCOCC3)C2)cc1 93017967 GUPHPDRTRSRTRC-KRWDZBQOSA-N 304.434 2.239 0 40 DEAB CC(C)Oc1nnc(SCC(=O)NCc2ccco2)s1 49422761 DARIXNLKRSWIQW-UHFFFAOYSA-N 313.404 2.327 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 4175176 VNRZMUSBXJXIPM-RHYQMDGZSA-N 311.696 2.072 0 40 DEAB COc1ccc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 13681818 CDFSCUSTRAOYGS-HNNXBMFYSA-N 318.373 2.086 0 40 DEAB COc1ccc(S(=O)(=O)Oc2ccccc2NC(C)=O)cc1 5120565 DQMIEMBFGSMMGG-UHFFFAOYSA-N 321.354 2.421 0 40 DEAB O=S(=O)(N[C@@H]1CCCc2cn(C3CCCC3)nc21)C1CC1 96002794 SSFSLSIFEBIYGJ-CQSZACIVSA-N 309.435 2.457 0 40 DEAB COc1ccc(NC(=O)N[C@@H](C)Cn2cncn2)cc1Cl 65591194 WBAXFOXCYLQIMK-VIFPVBQESA-N 309.757 2.150 0 40 DEAB C[C@@H]1C[C@@H](C)CN(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)C1 14110340 AORKHEVBTUITDH-ZIAGYGMSSA-N 317.433 2.411 0 40 DEAB CN1C(=O)N/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O 409188998 MJNUMAMTOVUKGY-NYYWCZLTSA-N 320.146 2.453 0 40 DEAB CC(=O)c1ccc(OCC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 6503405 ZJIOMBNUZZOXOB-UHFFFAOYSA-N 309.325 2.205 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 9479271 NUORDWRGOMYEKP-UHFFFAOYSA-N 312.325 2.070 0 40 DEAB O=C(c1ccccc1O)N1CCN(CCC(F)(F)F)CC1 80930009 ZOCSKCBMUYAABK-UHFFFAOYSA-N 302.296 2.102 0 40 DEAB Cc1nc(N2CCC[C@@H](C(N)=O)C2)c2c3c(sc2n1)CCC3 8063868 ORLNUHXJQSXXTB-SNVBAGLBSA-N 316.430 2.190 0 40 DEAB O=C(O)C[C@H]1CN(C(=O)c2csc3ccccc23)CCO1 91293590 AVTGWDOINRMVQJ-JTQLQIEISA-N 305.355 2.217 0 40 DEAB Cc1ccc2oc(=O)n(CN3CCN(CC(C)C)CC3)c2c1 71971536 DFNPZQWTJLZCMU-UHFFFAOYSA-N 303.406 2.134 0 40 DEAB C[C@@H](CNC(=O)c1nn(C)c(=O)c2ccccc12)c1ccccc1 8168120 CFURTFMSLWMMLQ-ZDUSSCGKSA-N 321.380 2.467 0 40 DEAB Cc1cccc(C(=O)N2CCN([C@H](C)c3cccnc3)CC2)n1 71908158 HLCZURBMOCQYTG-OAHLLOKOSA-N 310.401 2.304 0 40 DEAB COCCN(Cc1nc(-c2cccs2)oc1C)[C@H](C)C(N)=O 69582601 LWGMRBOYXANGRL-SNVBAGLBSA-N 323.418 2.034 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1CCc2ncnn2C1 69520974 ANCCZKCZBTZQHA-HNNXBMFYSA-N 322.416 2.185 0 40 DEAB CCCCn1nc(C)c(/C=C/C(=O)N[C@@H](C)C(=O)O)c1Cl 95970647 XXJRSOAYZPVTOI-FGEFZZPRSA-N 313.785 2.248 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(CCc2cccnc2)[C@H]1c1ccsc1 69665058 JALKTRFAMWEDJY-HIFRSBDPSA-N 316.382 2.360 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](C)NC(N)=O 69771004 INIJHXMYMRBYEH-JGVFFNPUSA-N 318.204 2.097 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)N(C)C[C@H]2CCCO2)cc1 69876910 BLRIZLWQXGDFPM-JOZWUWCOSA-N 303.358 2.124 0 40 DEAB CN(CCCNC(=O)[C@H]1COc2ccccc21)CC(F)(F)F 69951834 MXNDXWQNXJIDAL-LBPRGKRZSA-N 316.323 2.163 0 40 DEAB COc1ccc2c(c1)OC[C@H](NCc1cnccc1N(C)C)C2 95940049 XFTFIKGXFUNCPN-OAHLLOKOSA-N 313.401 2.250 0 40 DEAB Cc1ncn(CCC(=O)Nc2cc(F)cc(F)c2)c(=O)c1C 97082227 JHZDHGIIVWRJBH-UHFFFAOYSA-N 307.300 2.167 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)COCC2CC2)n1 72279957 SPHQRYPFPSAXOT-INIZCTEOSA-N 305.422 2.308 0 40 DEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1CCc2nccn2C1 72285413 PIGAYLNOSOEOMZ-HOCLYGCPSA-N 311.385 2.018 0 40 DEAB CCCC(=O)N1CCC[C@H](C(=O)N[C@@H](CC)C2CCOCC2)C1 72307186 MUAPJPYMCILYOW-HOTGVXAUSA-N 324.465 2.347 0 40 DEAB CC(C)[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2ccccc2N1 75092694 MNDDVNFKEJEKMH-HNNXBMFYSA-N 311.385 2.482 0 40 DEAB Cc1ncn(C[C@H](C)NC[C@H]2COc3ccccc3O2)c1C 89547599 CXOKLDUGMJCSCT-WFASDCNBSA-N 301.390 2.318 0 40 DEAB CCOCc1ccccc1CNC(=O)c1ccc(C)[nH]c1=O 75118471 YSGUWHUUFMFWCL-UHFFFAOYSA-N 300.358 2.150 0 40 DEAB O=C(c1cnsn1)N1CCN(CC2CC2)c2ccccc21 89865605 AHUXJGFISQDCMH-UHFFFAOYSA-N 300.387 2.415 0 40 DEAB Cc1ccc(CNCC[C@@](O)(c2nccn2C)C(F)(F)F)o1 67698941 VUPONBYZFNJKGR-CYBMUJFWSA-N 317.311 2.251 0 40 DEAB C[C@H]1CCN(C(=O)CN2CSCC2=O)c2ccccc2S1 24585131 ZIWORDJFQRKURK-NSHDSACASA-N 322.455 2.437 0 40 DEAB COc1ccc(CCNc2cc(C)nc3ncnn23)cc1OC 35310996 MMFBSNQCHSJSEH-UHFFFAOYSA-N 313.361 2.105 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccc(F)cc2)C1 38541230 BYXVVXTXINETJW-CABCVRRESA-N 323.412 2.425 0 40 DEAB Cc1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)ccc1F 74584724 ITVRLWMWFSXNFU-UHFFFAOYSA-N 320.345 2.282 0 40 DEAB Cc1nccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)n1 72389893 BFCWAQQMIDJMNI-AWEZNQCLSA-N 322.372 2.220 0 40 DEAB CC(C)CCNC(=O)CCc1nc2ccccc2n(C)c1=O 72325900 YLQWOQGIDPIGJI-UHFFFAOYSA-N 301.390 2.028 0 40 DEAB biogenic COC(=O)C1CCN(C(=O)COc2cccc(C)c2C)CC1 49783152 XNCUMTIKGJGXIZ-UHFFFAOYSA-N 305.374 2.094 0 40 DEAB CCc1c(Cl)nc(C)nc1NC[C@@H](c1cnn(C)c1)N(C)C 78290311 BSVIQOWADYFWTN-ZDUSSCGKSA-N 322.844 2.449 0 40 DEAB Cc1nn(C)c(C)c1C(=O)OC1CCN(CC(F)(F)F)CC1 80413568 YMBIKEWWPQFCDY-UHFFFAOYSA-N 319.327 2.220 0 40 DEAB O=C(NCc1ccccc1CN1CCC[C@@H]1CO)C1=CCCC1 135551726 OFAQHMKKTHRKNI-GOSISDBHSA-N 314.429 2.370 0 40 DEAB Cc1ccc([C@@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)o1 193188713 LRZJKIFFWMDFKT-RKDXNWHRSA-N 321.299 2.015 0 40 DEAB C[C@H]1c2ccc(F)cc2CCN1C(=O)CN1CCCOC1=O 84605828 OYGMUKRWCGXBBG-NSHDSACASA-N 306.337 2.114 0 40 DEAB CS(=O)(=O)c1ccc(CCC(=O)NCc2ccsc2)cc1 225616545 SJSRLDHFQSZQPP-UHFFFAOYSA-N 323.439 2.401 0 40 DEAB CCc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)cc1 224349815 JUCIQCNDKWBBGP-UHFFFAOYSA-N 313.405 2.423 0 40 DEAB CCOc1cc(NC2CCN(C[C@H]3CCC=CO3)CC2)ncn1 194708529 AVKIDWUDTLCIRJ-OAHLLOKOSA-N 318.421 2.444 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)NC[C@H]1COc2ccccc2O1 44816480 PDDSPVLCTXSIIF-HIFRSBDPSA-N 313.353 2.410 0 40 DEAB O=S(=O)(Cc1ccon1)N[C@@H]1CCC[C@H]1Oc1ccccc1 96427998 IRKSXDJUUCDHLZ-HUUCEWRRSA-N 322.386 2.094 0 40 DEAB O=C(NCCCS(=O)(=O)c1ccccc1F)C1CCCC1 96485831 INPPFHZFIBQTJD-UHFFFAOYSA-N 313.394 2.296 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)NC[C@@H]1CCC[C@@H]1O 96434722 IDJDJYYJYIGLLA-ZFWWWQNUSA-N 314.389 2.463 0 40 DEAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCS(=O)CC1 96451253 SCMXHYPPESPFRQ-GFCCVEGCSA-N 315.822 2.088 0 40 DEAB CCn1cc([C@H](C)NC(=O)N2CCN(C3CC3)C[C@@H](C)C2)cn1 334069666 GGEMOMYGXHHOMZ-KGLIPLIRSA-N 319.453 2.090 0 40 DEAB O=C(c1ccncc1F)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96218398 UIOMQHYTEDHIMR-DYVFJYSZSA-N 320.364 2.021 0 40 DEAB Cc1ccc([C@H]2CSCCN2C(=O)c2ccc[nH]c2=O)o1 96431949 QATUPZVVXVLRNR-GFCCVEGCSA-N 304.371 2.207 0 40 DEAB CO[C@@H]1CCN(c2ccc(C(=O)NCc3ccncc3)cc2)C1 240122349 VWRYNXIGAQODBE-QGZVFWFLSA-N 311.385 2.237 0 40 DEAB CC(=O)N1CCC[C@@H]2N(C(=O)c3cncs3)CCC[C@@]21C 257254951 KFKYWHWNCJOSQE-ZFWWWQNUSA-N 307.419 2.149 0 40 DEAB CCCn1nccc1-c1cnc(C2CCN(C(C)=O)CC2)cn1 257280909 OMXHNGJGOIFLGS-UHFFFAOYSA-N 313.405 2.476 0 40 DEAB Nc1ncc(Br)cc1-c1ccc2c(c1)CCNC2=O 203854470 SVCXROXAJQFHLV-UHFFFAOYSA-N 318.174 2.379 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575403474 LUDWUPBVXFZKLL-BPLDGKMQSA-N 318.442 2.341 0 40 DEAB CN1C[C@@H](COCC2CC2)[C@]2(CCN(C(=O)C3(F)CCC3)C2)C1 585102779 HIFLCYZEILEWAH-DOTOQJQBSA-N 324.440 2.086 0 40 DEAB C[C@@H](NC(=O)NCC(=O)NC1CC1)c1nc(C(C)(C)C)cs1 71882534 VZXUFIMEKKTXSA-SECBINFHSA-N 324.450 2.079 0 40 DEAB O=C(CCN1C(=O)c2ccccc2C1=O)NC1CCCCC1 77482 WGYHZGKADKGOJY-UHFFFAOYSA-N 300.358 2.122 0 40 DEAB Cn1cc(NC(=O)COCc2ccccc2Cl)ccc1=O 84314480 HNROWLOLBYBXAY-UHFFFAOYSA-N 306.749 2.194 0 40 DEAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 5259994 JJYCFGUAYWZRIO-UHFFFAOYSA-N 320.370 2.246 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 11582354 RXJNXCXDFOJRHB-USZNOCQGSA-N 309.243 2.148 0 40 DEAB CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C1 12359102 XXSYJWAGVUPLGD-NSHDSACASA-N 317.382 2.240 0 40 DEAB COc1cccc(-c2cc(CC(=O)NC3=NCCS3)no2)c1 12865936 NQSOZURRMAVLBF-UHFFFAOYSA-N 317.370 2.112 0 40 DEAB Cc1cc(C)cc(N(CC(=O)N2CCCCC2)S(C)(=O)=O)c1 19947129 UPDBKEIZWBFTJC-UHFFFAOYSA-N 324.446 2.082 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cccn2C)cc1 4564192 VKATYNNEVAVJEP-LBPRGKRZSA-N 314.341 2.412 0 40 DEAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2nccn3nccc23)C1 2087131473 MSFIKAFNZUGPQX-ZDUSSCGKSA-N 315.421 2.203 0 40 DEAB O=C(Nc1cccnc1)[C@@]1(F)CCN(c2ncc(Cl)cn2)C1 2086854686 UIANAXGBOTVIMR-CQSZACIVSA-N 321.743 2.082 0 40 DEAB CO[C@@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccco1 206867298 JWNDFOAKIHFDNE-ZDUSSCGKSA-N 324.283 2.000 0 40 DEAB CSc1ccc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1 4517655 AITDGZVMAMFEAK-UHFFFAOYSA-N 322.411 2.308 0 40 DEAB CNC(=O)Cc1csc(Nc2cc(OC)ccc2OC)n1 23236267 ISLPLSRDEOKNJX-UHFFFAOYSA-N 307.375 2.192 0 40 DEAB CNC(=O)[C@@]1(Cc2ccccc2-c2ccsc2)CNCCO1 72389358 UBKWOASPBOMKBN-QGZVFWFLSA-N 316.426 2.062 0 40 DEAB Cc1cccc(C)c1NC(=O)NCCCN1CCN(C)CC1 40477748 MGDNUYNLFZLGOG-UHFFFAOYSA-N 304.438 2.062 0 40 DEAB CCCOc1cccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1 40516355 CYJIHVMJQRVYDE-GFCCVEGCSA-N 311.403 2.239 0 40 DEAB COc1c2c(c(NC(=O)C(C)C)c3c1OCO3)CCN(C)C2 32124188 UTJOLXGDSLGLSB-UHFFFAOYSA-N 306.362 2.006 0 40 DEAB biogenic CCOc1ccc2c(c1)sc1nc(C(=O)OC)cc(=O)n12 329297 FQGNAJNQHPQSNG-UHFFFAOYSA-N 304.327 2.095 0 40 DEAB Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1-n1cccc1 21334694 RDIHXNCDHDXIJE-UHFFFAOYSA-N 311.385 2.123 0 40 DEAB CCOC(=O)Cc1csc(S[C@H]2CCCCNC2=O)n1 32871720 FSGCJUQMJVNKNV-JTQLQIEISA-N 314.432 2.010 0 40 DEAB CCN1CCC[C@H](NC(=O)N2CCC[C@@H]2c2cc(C)no2)C1 52593883 XWGCNHRLVWCTIJ-UONOGXRCSA-N 306.410 2.314 0 40 DEAB CCCCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 52842502 JSCFBXBZIYFCEU-QGZVFWFLSA-N 317.389 2.151 0 40 DEAB CC(C)C1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 248987 XWDIWEQVVZMEPJ-LBPRGKRZSA-N 301.268 2.190 0 40 DEAB CC(C)C[C@@H](C(=O)N(C)C1CCOCC1)N1CCCCC1=O 84456706 KEQXEROTTQTRJC-HNNXBMFYSA-N 310.438 2.051 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)N(C)Cc1ccccc1 47033178 OFAXYFXXEHBLTG-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB O=C([C@H]1CCOc2ccccc21)N1CC[C@@H](N2CCCC2)C1 76878356 QPLCMJONBIWLRK-ZBFHGGJFSA-N 300.402 2.249 0 40 DEAB CC[C@@H](OC(=O)CNC(=O)c1ccco1)C(=O)c1ccccc1 4510593 PRAWMJYPEAMGBG-CYBMUJFWSA-N 315.325 2.214 0 40 DEAB CCOc1ccc(Nc2nc(Cl)nc(NCCO)n2)cc1 4917699 SWRDNBAIUYKSCU-UHFFFAOYSA-N 309.757 2.072 0 40 DEAB CCCCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)cc1C 54363437 NPHGHPAPWAZQQI-ZDUSSCGKSA-N 315.435 2.223 0 40 DEAB CCc1ccc(CN(C)CN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 23624993 HNPCEVNKDXYREQ-SFHVURJKSA-N 315.417 2.359 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)N1CCc2ccccc2C1 24050989 ZQEDKBRCYSDGSY-UHFFFAOYSA-N 316.426 2.422 0 40 DEAB O=C(NCc1ccco1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24222178 SCOFTNVSQWCMOF-OAHLLOKOSA-N 314.341 2.327 0 40 DEAB C[C@H]1CN(Cc2ccc(C(=O)NCc3ccco3)cc2)CCO1 24958438 IGMIHQFPSYHXIA-AWEZNQCLSA-N 314.385 2.430 0 40 DEAB O=C(NCCOc1ccc(Cl)cc1)C(=O)NC1CCCCC1 59483864 CRZKQSLTXZYKSR-UHFFFAOYSA-N 324.808 2.284 0 40 DEAB Cc1csc(S(=O)(=O)[C@@H](C)C(=O)NC2CCCCC2)n1 47941529 WXJWLLKDXANMQU-JTQLQIEISA-N 316.448 2.063 0 40 DEAB CC(C)N(C)c1ccc(NC(=O)CCn2cnnc2)cc1F 95974579 JAFBXIZGHLZXJK-UHFFFAOYSA-N 305.357 2.291 0 40 DEAB O=C(COc1ncnc2ccccc12)NCCc1ccccc1 3237635 FFTRJDPGQOJYHX-UHFFFAOYSA-N 307.353 2.368 0 40 DEAB C[C@H](N)C(=O)N(Cc1ccc2c(c1)OCO2)c1ccc(F)cc1 95971117 PEQQBZHUZKBDNR-NSHDSACASA-N 316.332 2.435 0 40 DEAB O=C(NC1CCCCC1)NC1CCN(C2CCOCC2)CC1 59916460 SLWAWRFUTDWFEP-UHFFFAOYSA-N 309.454 2.262 0 40 DEAB C1=C(c2ccc3c(c2)OCO3)Nc2nnnn2[C@H]1c1ccccc1 27755127 QNVZCTWTYFMIKA-CQSZACIVSA-N 319.324 2.458 0 40 DEAB CSc1nc(C(=O)N2CCOCC2(C)C)c2ccccn12 58290659 RBZGMNUTWCAHOH-UHFFFAOYSA-N 305.403 2.307 0 40 DEAB CCN(CC)C(=O)CCNC(=O)N1CC[C@@H](c2ccccc2)C1 58283502 DPUTYAZNJROMTK-MRXNPFEDSA-N 317.433 2.444 0 40 DEAB O=C(NCCc1ccc(-n2cccn2)cc1)N1CCSCC1 44967544 BGXDJSVJRLOXMH-UHFFFAOYSA-N 316.430 2.173 0 40 DEAB Cc1cc(C(=O)NCc2cccnc2OCC(F)(F)F)no1 44912870 PNGNUDFVLQMGGU-UHFFFAOYSA-N 315.251 2.249 0 40 DEAB COc1c(CNC[C@@H]2COC3(CCC(C)CC3)O2)c(C)nn1C 95991165 IONFSYZUBFHQPX-KDJCLPLCSA-N 323.437 2.149 0 40 DEAB CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@H]2CCOC2)CC1 95967703 BJFQCHTWHAXRMT-ZBFHGGJFSA-N 321.440 2.407 0 40 DEAB COCCN(Cc1ccco1)C[C@@H](O)c1ccc2c(c1)OCO2 58305862 OCOWFIXQPSFSPF-OAHLLOKOSA-N 319.357 2.190 0 40 DEAB COc1ccc(CNC2CCC3(CC2)OCCO3)cc1OC 45098300 VLRHJMRJHGWMMP-UHFFFAOYSA-N 307.390 2.479 0 40 DEAB CCCCN(C)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 11691364 SYSWQIIXJKUTFC-UHFFFAOYSA-N 312.373 2.058 0 40 DEAB COc1ccc(C(=O)CSc2nnc(N)s2)cc1OC 2627590 GHZBMMFRRJGTFE-UHFFFAOYSA-N 311.388 2.113 0 40 DEAB C[C@@H](CC(=O)NCC1(C)CCOCC1)NC(=O)C1CCCC1 95409523 ZNXGRTYOBIUHJL-ZDUSSCGKSA-N 310.438 2.004 0 40 DEAB CS[C@H](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 95400503 DWWXIWLBJVURGT-ZBFHGGJFSA-N 322.474 2.145 0 40 DEAB COC(=O)c1ccc(NC(=O)Nc2ccc(C(N)=O)cc2)cc1 13746903 ROAFSIKPZQVNDU-UHFFFAOYSA-N 313.313 2.216 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)C(=O)O 5156540 AIAREYYQCBHEMF-YGRLFVJLSA-N 324.377 2.002 0 40 DEAB c1cncc(O[C@@H]2CCN(Cc3ccc(-n4cncn4)cc3)C2)c1 93691649 VKVPIOPGTQVALJ-GOSISDBHSA-N 321.384 2.316 0 40 DEAB O=C(Cn1nnc(-c2cccs2)n1)NCC1CCCCC1 13985955 NJNYNVXJYKCEAP-UHFFFAOYSA-N 305.407 2.098 0 40 DEAB COc1cc(F)ccc1NC(=O)N1CCN(CC(F)F)CC1 65591312 JFSKEBDAUFGBPD-UHFFFAOYSA-N 317.311 2.249 0 40 DEAB CC[C@@H](C)N(C)CCNC(=O)c1cc(=O)c2ccccc2o1 66137512 BFBSVWFVMYAMTJ-GFCCVEGCSA-N 302.374 2.253 0 40 DEAB COC[C@@H]1CCCN1S(=O)(=O)c1cccc2ncccc12 95407484 DCDJWBWGPPDVSZ-LBPRGKRZSA-N 306.387 2.034 0 40 DEAB NC(=O)CN1CCC(N[C@@H]2CCCSc3ccccc32)CC1 96476545 XTJYYLBEEDDVKW-OAHLLOKOSA-N 319.474 2.153 0 40 DEAB O=C1CC[C@H](C(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CN1 110574680 CUDHLFWVYWBVLG-QXKUPLGCSA-N 304.434 2.330 0 40 DEAB Cn1cnnc1CNC(=O)C1(c2ccc(F)cc2F)CCCC1 90011444 QXVUGXCVYMSXHB-UHFFFAOYSA-N 320.343 2.222 0 40 DEAB Cn1cc(CNC[C@@H]2CCN(C3CC3)C2)c(-c2ccncc2)n1 71825214 QTZNYQSMNMBKSR-AWEZNQCLSA-N 311.433 2.056 0 40 DEAB Cc1cc(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)n[nH]1 67361234 PSUOZHRDEQOZLM-INIZCTEOSA-N 312.417 2.360 0 40 DEAB CC[C@H]1CCCCN1C(=O)Cn1cnc2sccc2c1=O 7495015 PYFIJPQWLYQRAG-NSHDSACASA-N 305.403 2.249 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 7405435 YZTWVECKZGEETK-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CCc1sc([C@H](C)NC(=O)[C@H]2COCCN2C(C)=O)cc1C 95979507 IRJSPHSTJXRKJF-WCQYABFASA-N 324.446 2.043 0 40 DEAB CO[C@H](C(=O)Nc1cccc(-c2nnnn2C)c1)c1ccccc1 71916874 MITAYJBNURBZIW-HNNXBMFYSA-N 323.356 2.203 0 40 DEAB O=C1OCC[C@@H]1Nc1ccc2c(c1)CCN2C(=O)c1ccoc1 71902670 BWUCEBYXIJVMGH-AWEZNQCLSA-N 312.325 2.210 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)Nc1ccccc1 16313745 AEADJLICXYVJLA-UHFFFAOYSA-N 301.298 2.052 0 40 DEAB COc1ccc(CCN2CCO[C@@H](c3noc(C)n3)C2)cc1 95958051 QKMZJKCWIDFAAY-OAHLLOKOSA-N 303.362 2.003 0 40 DEAB Cc1cnc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1 8016228 UPXAPFPLAKKKID-UHFFFAOYSA-N 316.792 2.401 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C)C2)cc1 16642558 XNZZYKBPKQFEIJ-ZDUSSCGKSA-N 324.446 2.245 0 40 DEAB COc1cn(C)c(C(=O)Nc2cccc(SC)c2)cc1=O 16848059 FMZWBOMJMKNCCP-UHFFFAOYSA-N 304.371 2.368 0 40 DEAB O=C1CCCN1c1ccc(C2=NN=C(NC3CC3)SC2)cc1 8316492 AIHWMPYRQRTJSZ-UHFFFAOYSA-N 314.414 2.372 0 40 DEAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cccc[n+]2[O-])cc1 69492892 UVTYAJMYUOBIDP-CZIZESTLSA-N 319.364 2.219 0 40 DEAB CC(=O)N1CCCN(C(=O)Cc2cccc(OC(C)C)c2)CC1 95955805 BHDMREDBMNANBV-UHFFFAOYSA-N 318.417 2.097 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)COCCc2ccccc2)cn1 69624310 YTECSCCIMKEOHZ-QGZVFWFLSA-N 313.401 2.343 0 40 DEAB O=C(CSc1nc2ccccc2c(=O)[nH]1)N1CCCCC1 8663722 RLQOOTTYZQANRA-UHFFFAOYSA-N 303.387 2.028 0 40 DEAB aggregator CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cnc(C)cn1 69815205 DIHSGNHNBYEROC-HZPDHXFCSA-N 302.422 2.150 0 40 DEAB Cc1cccc(C2=CCN(C(=O)NCc3ncn(C)n3)CC2)c1 92517353 LHPVXTRPXVBFKV-UHFFFAOYSA-N 311.389 2.122 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)c2ccc(F)cc2O1 75147877 DZEPRCDMNLVTRD-JTQLQIEISA-N 314.316 2.352 0 40 DEAB O=C(CCSc1cccc[n+]1[O-])Nc1ccc2c(c1)OCO2 69842849 CSWDILMUKGFYBC-UHFFFAOYSA-N 318.354 2.170 0 40 DEAB CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C)c1C 77845009 WDIGYSSPILLCQJ-PXAZEXFGSA-N 306.406 2.155 0 40 DEAB COCCCNC(=O)c1cc(OC)c(OC)cc1-n1cccc1 32101493 VLLREXNBCZGUAE-UHFFFAOYSA-N 318.373 2.261 0 40 DEAB Cc1nn(C(C)C)cc1CN[C@H]1CCN(CC(F)(F)F)C1 545212677 UKXRTOSAJZWBQO-ZDUSSCGKSA-N 304.360 2.499 0 40 DEAB CCOC(=O)C1=NN(c2cc(Cl)ccc2C)[C@H](C(=O)O)C1 71979267 BNJQEKXYRGOXNH-LBPRGKRZSA-N 310.737 2.231 0 40 DEAB CC(C)N(C[C@@H]1CCCN1Cc1ccccc1)C(=O)[C@H](C)N 79404495 KIXPNYBZEYDUPB-RDJZCZTQSA-N 303.450 2.235 0 40 DEAB NC(=O)c1cc(C(N)=O)c2nc(-c3ccc(F)cc3)sc2c1 73635664 KMLAHVZHLNIPDW-UHFFFAOYSA-N 315.329 2.300 0 40 DEAB CCN(C[C@H]1CCCCN1CCN)C(=O)OCc1ccccc1 79411598 NLFTXXIJXZJDHL-QGZVFWFLSA-N 319.449 2.458 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCNC[C@@H]1c1ccccc1 313345673 GYXWEQJLLXIHCK-QGZVFWFLSA-N 306.369 2.350 0 40 DEAB CNCc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 72223666 SUWHZUAVUVAZQG-UHFFFAOYSA-N 320.437 2.167 0 40 DEAB CC(C)OCCCNC(=O)C1CCN(c2ncccc2F)CC1 84484212 ZRXKHXGGEGLBEP-UHFFFAOYSA-N 323.412 2.368 0 40 DEAB CSC[C@@H](C)N(C)C(=O)c1ccc(N2CCC(O)CC2)cc1 81421191 TUPNJMXONPFQLT-CYBMUJFWSA-N 322.474 2.471 0 40 DEAB O=C1C[C@@H](NC(=O)C2(Cc3cccs3)CCCCC2)CN1 569863934 GSNRFGWYBBSNLL-GFCCVEGCSA-N 306.431 2.246 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@H]3CCO[C@@H]3C)CC2)nc1 195559215 WYICHCBUIBEQHS-HIFRSBDPSA-N 304.390 2.185 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)NC[C@H](O)C(C)C 96420200 JNRARGVUPCJJFX-AWEZNQCLSA-N 302.378 2.319 0 40 DEAB CCC[C@@H](CCc1ccccc1)NC(=O)N[C@H]1CCN(C)C1=O 96440686 PIJYLABICONXIA-HOTGVXAUSA-N 317.433 2.318 0 40 DEAB CNC(=O)C1=NO[C@@]2(CCN(Cc3ccc(C(C)C)cc3)C2)C1 96225438 BNNSIYOUOFNMRQ-SFHVURJKSA-N 315.417 2.277 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)c1ccccc1 96450556 XMGLIGNOJGEILJ-UONOGXRCSA-N 306.431 2.207 0 40 DEAB Cc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@H]3C)s1 96201504 MJERWACMQSQKSF-ZDUSSCGKSA-N 308.447 2.268 0 40 DEAB COCCC(=O)N1C[C@@H]2CN(Cc3ccccc3Cl)[C@@H]2C1 96080503 WOXILZNDGVOCNS-DZGCQCFKSA-N 308.809 2.019 0 40 DEAB COc1ccc(CNC(=O)NC2(CCO)CCC2)cc1Cl 96480560 FUUQJGBPXPPREH-UHFFFAOYSA-N 312.797 2.453 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@H]2C[C@H]3CC[C@H]2C3)cc1 254504693 YXLNLAMPLZWYKF-MELADBBJSA-N 322.430 2.419 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)CCc2ccc(F)cc2)[C@H]1O 257251356 JQKJNCYVQZVKBR-BFYDXBDKSA-N 309.381 2.193 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cc(C)c(C)nc3O)C2)n1 257219629 DHMINMHCBUDCMC-LBPRGKRZSA-N 300.362 2.065 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 257338595 YYCUXJCTEHBELE-MRXNPFEDSA-N 312.417 2.462 0 40 DEAB Nc1cccc([C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 257224559 FCHIOROQGIVQCU-QGZVFWFLSA-N 323.396 2.366 0 40 DEAB Cc1ccnc([C@H]2CCN(S(=O)(=O)C3CCCCC3)C2)n1 257338726 YYRYOAHQUGYCEW-ZDUSSCGKSA-N 309.435 2.237 0 40 DEAB CCc1cnc(CNC(=O)Cc2ccc(C(=O)O)cc2)s1 263325694 KIEMPEDMBOSWPB-UHFFFAOYSA-N 304.371 2.263 0 40 DEAB CCCCC(=O)N1CC2(C[C@H](Oc3cncc(C)n3)CCO2)C1 575402892 DSDRWOWEKHAJII-CQSZACIVSA-N 319.405 2.114 0 40 DEAB COc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1-n1nnnc1C 69569349 VSZZMWBPAVKGIV-JTQLQIEISA-N 318.381 2.145 0 40 DEAB O=C(c1cnns1)N1CCC(Nc2ccc(F)cc2)CC1 66457831 VCTSYSGBHGRXSG-UHFFFAOYSA-N 306.366 2.394 0 40 DEAB Cn1cc([C@@H]2NC(=O)c3ccccc3N2)c(-c2cccnc2)n1 67963253 JBIGHKXJOKMESZ-INIZCTEOSA-N 305.341 2.336 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)CCc2nccs2)c1 70013661 CLMGJPDIGPZNLW-CYBMUJFWSA-N 304.419 2.272 0 40 DEAB O=C1C(=O)N(Cc2cccs2)C(=O)N1Cc1ccccc1 44874789 NDOOZZUOSPCYHQ-UHFFFAOYSA-N 300.339 2.239 0 40 DEAB CCNC(=O)CN(CC)C(=O)c1cccc(Br)c1 37493653 QMRBUVWCYZIADD-UHFFFAOYSA-N 313.195 2.047 0 40 DEAB O=c1c(N2CCN(c3ccccc3F)CC2)nccn1C1CC1 302036307 UTVAATUUKUARAM-UHFFFAOYSA-N 314.364 2.044 0 40 DEAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)CSCC(N)=O)o1 76068534 XSFQQHDBWJBPGX-CMPLNLGQSA-N 310.419 2.106 0 40 DEAB COc1ccccc1NCC(=O)NC[C@@H](O)c1ccsc1 89481785 KIYUKYXPVRSOPU-CYBMUJFWSA-N 306.387 2.018 0 40 DEAB COCCn1cc(NC(=O)N2CC[C@H](C)C[C@@H](C)C2)ccc1=O 89929925 XSJVNZDVAIBLPO-UONOGXRCSA-N 321.421 2.395 0 40 DEAB COc1ccc([C@H](C)NC(=O)CN2CCSC2=O)cc1OC 40498891 LMKIFZCYZSQYOF-JTQLQIEISA-N 324.402 2.050 0 40 DEAB CC(C)n1nccc1NC(=O)[C@@H]1CCCN(c2cnccn2)C1 40511970 PNUZTXRHFQGVFI-CYBMUJFWSA-N 314.393 2.109 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)c(C)s1 95976001 LODVPUVXDUOPSG-NWDGAFQWSA-N 303.449 2.194 0 40 DEAB Cc1ccccc1C(=O)NCCc1nc(-c2ccncc2)n[nH]1 12114865 NXKWJVNFIJYFAN-UHFFFAOYSA-N 307.357 2.148 0 40 DEAB Nc1nnc2n1C(=O)C(CC(=O)c1ccc(Cl)cc1Cl)=N2 16942786 ARGDBUZRXDVIFN-UHFFFAOYSA-N 324.127 2.166 0 40 DEAB CCOC(=O)[C@@H](Cc1ccc(Br)cc1)NC(C)=O 19721202 PCDHXOGETAJDEL-GFCCVEGCSA-N 314.179 2.059 0 40 DEAB Cc1cccc(C2=N/C(=C/c3ccc4c(c3)O[C@H](O)O4)C(=O)O2)c1 1735633 GQVGOPDNRYSKME-INMULRNOSA-N 323.304 2.387 0 40 DEAB CN(C(=O)CSC1CCCC1)C1CN(c2ccccn2)C1 1888844320 CSGVPYSLAIVFGQ-UHFFFAOYSA-N 305.447 2.404 0 40 DEAB CC1CC(C(=O)N2CCC3(CC2)c2ncccc2C(=O)N3C)C1 1565555036 ONCMXIDZTLVKBD-UHFFFAOYSA-N 313.401 2.031 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CC(=O)N3C)s1 9572742 MSPLNMSNFYLQGJ-UHFFFAOYSA-N 322.411 2.376 0 40 DEAB O=C(NC1CCN(c2cnsn2)CC1)c1ccc(F)c(F)c1 606440605 ITPBXOAUYJNVKR-UHFFFAOYSA-N 324.356 2.215 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1Cc2ccccc2CN1 16020982 CWFYYILRGMKQTL-OAHLLOKOSA-N 310.353 2.111 0 40 DEAB CN(CC1(O)CCCC1)C(=O)NCCCc1ccc(O)cc1 96483808 KEWWQXZLUACQLX-UHFFFAOYSA-N 306.406 2.271 0 40 DEAB CCOc1ccc([C@@H]2C3=C(COC3=O)Nc3[nH]nc(C)c32)cc1 20086549 PKFGZSUPXMIHOV-AWEZNQCLSA-N 311.341 2.485 0 40 DEAB COc1ccccc1CNC(=O)NC[C@@H](O)c1ccccc1F 31053341 ZJTJZTQZINASOM-OAHLLOKOSA-N 318.348 2.367 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@@H](c2ccccc2)C2CC2)CC1 40480261 PHOIUEJDNZYVOW-HNNXBMFYSA-N 301.390 2.045 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCc2c(C)noc2C)n1 40541151 MGYHSLYJEPCHFK-LLVKDONJSA-N 318.421 2.490 0 40 DEAB CCOC(=O)C(=CNCc1ccccc1Cl)C(=O)OCC 101387288 CYAUHQBGOAPEQK-UHFFFAOYSA-N 311.765 2.440 0 40 DEAB CCCn1[nH]cc/c1=N\C(=O)CN(C)[C@@H](CC)c1ccncc1 101850502 FLZRWPPRUVMOAH-QOBDKFOYSA-N 315.421 2.132 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CC(c2ccccc2)=NO1 22332436 HOTPBMWGIBTAQK-KRWDZBQOSA-N 324.336 2.225 0 40 DEAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc(C(C)C)cc1 70998 PPYSVSKWAUWZGF-AWEZNQCLSA-N 313.361 2.258 0 40 DEAB O=C(O)c1cn(-c2ccc(Br)cc2Cl)nn1 37392463 NTHKMFBVJIGCKX-UHFFFAOYSA-N 302.515 2.381 0 40 DEAB in-vitro O=C1C[C@@H](c2ccccc2)N(C(=O)c2cccs2)CCN1 47175397 XHJJTMIDXUQWQH-ZDUSSCGKSA-N 300.383 2.452 0 40 DEAB O=C(Nc1ccc(NC(=O)c2cnccn2)cn1)c1ccccc1 1353431 IHBDDTDIEJVGOC-UHFFFAOYSA-N 319.324 2.376 0 40 DEAB Cc1ncsc1CNC(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C 104475643 QJBILNFUXAQKAW-LBPRGKRZSA-N 323.462 2.495 0 40 DEAB Cc1ccc2nc(SCC(=O)c3ccccc3)nc(=O)n2c1 4503704 KYSZKVAKDXCYGR-UHFFFAOYSA-N 311.366 2.373 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)o1 23306986 XJCYDRPQOZSIBE-JTQLQIEISA-N 312.325 2.305 0 40 DEAB CC(C)(CNC(=O)c1ccc2ncsc2c1)N1CCOCC1 23701140 SCKGEHLBWLIWEP-UHFFFAOYSA-N 319.430 2.137 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100179757 VFQUGKLWSURPCK-JQOWZUPLSA-N 323.348 2.031 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cccnc2)cc1 34201094 FORMKDNVDMHENV-UHFFFAOYSA-N 304.371 2.105 0 40 DEAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)N2CCCC2)c1 61798940 KYNJJGXKTCQSLS-INIZCTEOSA-N 318.417 2.463 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)Cc3ccon3)CCO2)ccc1F 97032143 YEAXSELFVVXCPK-HNNXBMFYSA-N 304.321 2.265 0 40 DEAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1c1noc(C2CC2)n1 84451941 UKLOMYYRKUCGBT-CYBMUJFWSA-N 324.344 2.196 0 40 DEAB CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(C)nc1 56272519 LKTALMWNIMPSIY-INIZCTEOSA-N 312.369 2.294 0 40 DEAB CC[C@@H](C)NC(=O)c1cn(C)cc2c(=O)n(-c3ccccc3)nc1-2 9661309 BTIQTBZXEREYCC-GFCCVEGCSA-N 324.384 2.204 0 40 DEAB COc1cc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)ccc1O 62001506 AIOSPJIQOLXBIF-AEFFLSMTSA-N 310.353 2.325 0 40 DEAB biogenic Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ncoc3C(C)C)C2)n1 72277501 ZKHYXIDBDTUPAD-CYBMUJFWSA-N 317.393 2.484 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2scnc2C)c(C)nn1C 72234387 NZSNSBKWVIJQJK-NSHDSACASA-N 320.418 2.479 0 40 DEAB COc1ccccc1C(=O)Nc1ccc(OCCC(N)=O)cc1 27212787 DIUNVCCSZCAIHR-UHFFFAOYSA-N 314.341 2.202 0 40 DEAB CCN(CC(=O)Nc1nc(OC)cc(OC)n1)C1CCCCC1 27286502 QPLXUTVUUSYYTC-UHFFFAOYSA-N 322.409 2.087 0 40 DEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nccs2)C[C@@H](C)O1 58135552 HXQPIURKPUEMDP-XQQFMLRXSA-N 324.450 2.249 0 40 DEAB O=C(C[C@H]1C(=O)OC[C@H]2CCCCN12)Nc1cccc(Cl)c1 58160209 DHQZLYXYTVGLLU-KGLIPLIRSA-N 322.792 2.449 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)o1 44917176 VFDBCQNUTJYAGW-UHFFFAOYSA-N 303.362 2.151 0 40 DEAB Cc1cccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)c1 58329143 MMDOUOFZFIRKKC-UHFFFAOYSA-N 317.433 2.047 0 40 DEAB C[C@H](NC(=O)N1CCN(CC(F)F)CC1)c1cccc(F)c1 58363995 BNXVQZLOFKUYMF-NSHDSACASA-N 315.339 2.479 0 40 DEAB CN(C)c1ccc(C(=O)N(Cc2nccn2C)C2CC2)cc1F 58354915 SZYMWBHCFGEEPZ-UHFFFAOYSA-N 316.380 2.430 0 40 DEAB Cc1ccc2nc(CN(C[C@@H](C)O)c3ccccc3)cc(=O)n2c1 58330365 GFSJBANHTXINRB-OAHLLOKOSA-N 323.396 2.390 0 40 DEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nn1cnc2ccccc21 27044084 AJMZGIDWOQGHQN-BZNIZROVSA-N 309.325 2.335 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2)cc1 28776072 LJAWHHPPUHITFH-UHFFFAOYSA-N 304.371 2.124 0 40 DEAB CCOC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 10060202 OCPZNHSJFWQLJS-AWEZNQCLSA-N 320.389 2.063 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1 2650585 OIXAWEDXZJXISR-HNNXBMFYSA-N 310.401 2.231 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1 3403211 WKCPDNSLSYMYLO-UHFFFAOYSA-N 304.302 2.177 0 40 DEAB C[C@@H](Cn1cccn1)NCc1ccc(C(=O)N2CCCC2)cc1 65625627 LXQMBOZLCZQBNE-HNNXBMFYSA-N 312.417 2.297 0 40 DEAB CC(C)C(NC(=O)c1ccccc1NS(C)(=O)=O)C(C)C 6553182 SOZBJIFPWBLCMW-UHFFFAOYSA-N 312.435 2.469 0 40 DEAB COc1ccc(F)cc1COc1cccc(-n2cnnn2)c1 14342187 QKCXFXBZORCQPF-UHFFFAOYSA-N 300.293 2.389 0 40 DEAB Cc1cc(C)c(CCNC(=O)NCc2nc(C)no2)c(C)c1 66186809 JPUYPAUEJATNCD-UHFFFAOYSA-N 302.378 2.345 0 40 DEAB CCCCCN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 9317248 SUANYMWOOBBZBO-OAHLLOKOSA-N 317.364 2.466 0 40 DEAB CCOC(=O)[C@H]1CCCN(CC(=O)Nc2cccc(CC)c2)C1 15259747 YWZXPSSBJDEYRV-HNNXBMFYSA-N 318.417 2.463 0 40 DEAB COc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(F)c1 7118512 VKDWBCIRJSZLAE-UHFFFAOYSA-N 304.321 2.069 0 40 DEAB COCc1nc2n(n1)C[C@@H](N[C@@H](C)c1sccc1C)CC2 90396443 NUHXXUQYLXGGAL-RYUDHWBXSA-N 306.435 2.460 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)c3ccccc3O)C2)no1 67888524 XVHWKOSGYSPVIJ-NSHDSACASA-N 301.346 2.357 0 40 DEAB CCn1ncnc1[C@H](C)NC(=O)c1ccccc1-c1ncc[nH]1 67919624 XNWSBYPEIUATCK-NSHDSACASA-N 310.361 2.179 0 40 DEAB COc1ccc(C2=C(C)SC3=NS(=O)(=O)CCN32)cc1 7717102 PZWBIUPHHPVHMW-UHFFFAOYSA-N 310.400 2.132 0 40 DEAB CCOc1ccccc1CNC(=O)N[C@H](C)C(=O)N[C@H](C)CC 68404490 QEMNLXFRTVMFDZ-CHWSQXEVSA-N 321.421 2.188 0 40 DEAB CCO[C@H](CC)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69366800 NUOSXFSUWPUNBK-WMLDXEAASA-N 320.433 2.453 0 40 DEAB CN(C[C@H]1CCCCO1)c1cc(C(F)(F)F)nc2ncnn12 71821697 SUQIHKPAUDOVQN-SECBINFHSA-N 315.299 2.148 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1 69625895 QGVFUQRQCGPAJC-CQSZACIVSA-N 300.362 2.191 0 40 DEAB Cc1ncc(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)s1 69744270 AKNSDYHWHVSOOK-UHFFFAOYSA-N 316.791 2.224 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1cc(-c2ccc(Cl)cc2)nn1C 72404324 DGCRNPNDGDPJMJ-VIFPVBQESA-N 321.764 2.032 0 40 DEAB CC[C@H](NC(=O)N1CC[C@@H](OCC(C)C)C1)c1noc(C)n1 95413143 WPKWUNNUQQHRME-OLZOCXBDSA-N 310.398 2.286 0 40 DEAB CN(C)C(=O)NCCN(C)c1ncc(C(F)(F)F)cc1Cl 95456947 VXGAAJPAMGWEFO-UHFFFAOYSA-N 324.734 2.461 0 40 DEAB CN(C)c1ncccc1CNC(=O)[C@H](O)c1ccccc1Cl 95450219 FKJYMLOCPGNUTR-CQSZACIVSA-N 319.792 2.151 0 40 DEAB CC1(C)C[C@H](NC(=O)Cc2cn3ccccc3n2)C(C)(C)O1 95465828 RVSAGIQPZGCDKI-ZDUSSCGKSA-N 301.390 2.339 0 40 DEAB Cc1c(C(=O)N[C@@H](C)CC(=O)O)cnn1-c1cccc(Cl)c1 95970374 LYKJINDXDMZJTI-VIFPVBQESA-N 321.764 2.427 0 40 DEAB CCN(CC)C(=O)C[C@H](C)NC[C@@H]1COC2(CCCCC2)O1 95988209 JFKNJCLWXUNKFM-LSDHHAIUSA-N 312.454 2.299 0 40 DEAB Cc1[nH]ncc1C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1 76083501 NSKTXXMDHJBXGJ-OAHLLOKOSA-N 301.390 2.479 0 40 DEAB CNC(=O)c1ccccc1NC(=O)C(=O)c1c[nH]c2ccccc12 30952686 YYIPGQADSXNYLQ-UHFFFAOYSA-N 321.336 2.349 0 40 DEAB biogenic,in-vitro O=C(CNCC(F)(F)F)N[C@H]1C[C@@H]1c1cccc(Cl)c1 77141235 QVOSIWDSXQFHBE-MNOVXSKESA-N 306.715 2.464 0 40 DEAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1cc2ccccc2s1 75161490 LBDMUJQSWASIJS-NSHDSACASA-N 300.383 2.394 0 40 DEAB COCCn1cc(NC(=O)c2noc3c2CCCCC3)cn1 128739699 NYTAZXCRXVGCGF-UHFFFAOYSA-N 304.350 2.039 0 40 DEAB CC(C)N(CC(=O)O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 79391574 ITURZCZTENGWGN-HNNXBMFYSA-N 320.389 2.193 0 40 DEAB c1cn(-c2nccnc2[C@@H]2CCCN(C3CCOCC3)C2)cn1 72350680 YQPVETOZJFUQBO-CQSZACIVSA-N 313.405 2.021 0 40 DEAB COc1ccc(CN2C(=O)[C@@H](N)[C@H]2c2ccc(C)o2)cc1OC 72227068 HTYDLQHASXTDHG-JKSUJKDBSA-N 316.357 2.016 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@@H]1CCC[C@H](O)C1 75156913 REEPYZLYCHVKSX-NEPJUHHUSA-N 303.811 2.230 0 40 DEAB CCCc1noc([C@H]2CCCN(C(=O)c3snnc3C)C2)n1 40714755 BJENEEWRTIYBKI-JTQLQIEISA-N 321.406 2.202 0 40 DEAB C[C@H](SCCC(=O)OC(C)(C)C)C(=O)Nc1ncccn1 225642177 RNIGSXWBXIWHFD-JTQLQIEISA-N 311.407 2.269 0 40 DEAB COc1ccccc1/C=C/CN1CC[C@H](C)S(=O)(=O)CC1 192046284 ZAXKHEDMXHHLDG-DYLGSBMWSA-N 309.431 2.217 0 40 DEAB CCn1ncc2c1CN(Cc1scnc1C)C[C@@H]2COC 96044589 LEEOAZYRCLAASC-GFCCVEGCSA-N 306.435 2.414 0 40 DEAB Cc1cc(NCCN2C(=O)CCC2=O)c2ccc(F)c(F)c2n1 195580491 NPGFAZSJEAXKAE-UHFFFAOYSA-N 319.311 2.382 0 40 DEAB Cc1ocnc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)O 96494250 MABDZQAXBVZXBG-LLVKDONJSA-N 302.330 2.346 0 40 DEAB Cc1ccc(OCC(=O)N(C)C)c(-n2nc3ccccc3n2)c1 96191768 DIUMTWIFTSYBRK-UHFFFAOYSA-N 310.357 2.196 0 40 DEAB CN(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)CCO2 96473980 FNRZQTMSXZOLES-UHFFFAOYSA-N 316.382 2.076 0 40 DEAB O=C([C@H]1CCCO1)N1CC[C@H](OCCCc2ccccc2)C1 96456463 WSQHETPOAMIMFI-DLBZAZTESA-N 303.402 2.416 0 40 DEAB Cc1cc(F)c(S(=O)(=O)NCCc2nccs2)cc1F 96475475 KWYMUFQSRKSTHP-UHFFFAOYSA-N 318.370 2.251 0 40 DEAB O=C(c1csc(NC2CC2)n1)N1CC[C@@]2(O)CCCC[C@@H]2C1 95475665 WZZWJBYDWQKEMP-BZNIZROVSA-N 321.446 2.485 0 40 DEAB O=C1NC(c2ccccc2)=N[C@@]12CC[C@@H]1CN(CC3CC3)C[C@@H]12 96061764 FEDNFBHTBICJOQ-JTDSTZFVSA-N 309.413 2.054 0 40 DEAB Cn1cccc1CN1CCNC(=O)[C@@H]1c1ccccc1Cl 97372942 AQHSEIWXGAITPI-HNNXBMFYSA-N 303.793 2.352 0 40 DEAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@H](N2CCCC2)C1 249410865 XVYYPEIDDFIVQM-GOEBONIOSA-N 322.474 2.321 0 40 DEAB Cc1cnn(C[C@H](C)NCc2ccccc2N2CCOCC2)c1 69582945 WUKPCAFDDJQLPE-INIZCTEOSA-N 314.433 2.206 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cnccn1 257247732 JAFPDXMNJWNFQW-HNNXBMFYSA-N 303.387 2.144 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Cc1c[nH]c2cc(F)ccc12 69596999 RQZAXIJCXCTJFJ-NSHDSACASA-N 300.337 2.251 0 40 DEAB COCCN(Cc1ccoc1)C(=O)[C@H]1COc2ccccc2O1 85474292 NVQGCIRGIVUOHC-MRXNPFEDSA-N 317.341 2.095 0 40 DEAB CCn1ncc(CNCCc2ccc(OC)c(OC)c2)c1F 256053742 SQMGYWUOWXUIJM-UHFFFAOYSA-N 307.369 2.392 0 40 DEAB CC(C)[C@@H](C(=O)O)N(Cc1ccccc1Cl)S(C)(=O)=O 547894415 VKUCMIBOQIMRLG-LBPRGKRZSA-N 319.810 2.211 0 40 DEAB Cc1c(C(=O)N2CCc3ncncc3C2)cnn1-c1ccccc1 96122823 DZDYVYCMDGXIOI-UHFFFAOYSA-N 319.368 2.169 0 40 DEAB COCC[C@@H]1CCOC2(C1)CN(C(=O)c1cccc(O)c1)C2 575406484 XQCZWMDKNUEQRJ-CYBMUJFWSA-N 305.374 2.050 0 40 DEAB O=C(N1CC[C@H]2[C@H]1CCN2Cc1cccnc1)C1(F)CCC1 585108124 RRJCFZAABNREEK-LSDHHAIUSA-N 303.381 2.149 0 40 DEAB CN(c1ccccc1)c1ccc(CNCCc2cn(C)nn2)cn1 585140681 IREXLGSCUYQJOT-UHFFFAOYSA-N 322.416 2.310 0 40 DEAB CO[C@@]1(COc2ccc(F)cc2)CCN(C(=O)c2cnco2)C1 585274401 KPDJGZOGFAHYJV-INIZCTEOSA-N 320.320 2.124 0 40 DEAB CC(C)(C)OC(=O)N1CCN[C@H](c2cccc(C(=O)O)c2)C1 585263503 ONKAIXVWDNIFBO-ZDUSSCGKSA-N 306.362 2.266 0 40 DEAB COc1ccc(OC)c(C(=O)N2CCC[C@]3(CCN3C)C2)c1 585101728 BTNOAGOZOBXHLJ-KRWDZBQOSA-N 304.390 2.014 0 40 DEAB CCOC(=O)CC[C@@H](CC(=O)OCC)C(=O)c1cccnc1 675047383 OBEDJBVEHOBYLR-LBPRGKRZSA-N 307.346 2.177 0 40 DEAB COCc1cc(=O)n(Cc2cccc(F)c2)c(N2CCCC2)n1 65307459 ITDRAXMVSZBBFK-UHFFFAOYSA-N 317.364 2.177 0 40 DEAB O[C@H](CN1CCO[C@H]2CCCC[C@@H]21)c1ccc2c(c1)OCO2 71810527 OLHGNLSRHQKHKM-ZNMIVQPWSA-N 305.374 2.092 0 40 DEAB O=C(NCCNc1ncnc2sccc12)Nc1cccnc1 44972857 ANTIAYNLJUVGEK-UHFFFAOYSA-N 314.374 2.320 0 40 DEAB C[C@H](C(=O)NCc1ccnc(OC2CCCC2)c1)n1cccn1 46853288 ONUVJDAOCBPTAX-CYBMUJFWSA-N 314.389 2.477 0 40 DEAB CCN1CCN(C(=O)Cc2nc(-c3cccs3)oc2C)CC1 55412528 ATHGCVSYUYOMRG-UHFFFAOYSA-N 319.430 2.418 0 40 DEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N[C@@H](C)Cc1ccco1 81535792 JVKOQBASXUCWEA-JTQLQIEISA-N 317.389 2.330 0 40 DEAB COc1ccc2c(c1)CCc1cc(C(=O)OCC(N)=O)sc1-2 5435696 BSOQOSXIVORALF-UHFFFAOYSA-N 317.366 2.164 0 40 DEAB Cn1nc(C2CCN(C(=O)c3ccccn3)CC2)c2cccnc21 12186696 FPVWNGIOEQTDSJ-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB CCCNC(=S)N1CCC(NC(=O)C2CCCCC2)CC1 13858312 NJHOSCZISSXKTE-UHFFFAOYSA-N 311.495 2.432 0 40 DEAB Cc1cc(Cl)ccc1OC[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1 19781832 SUJMREWCCXVRPP-NFAWXSAZSA-N 313.825 2.497 0 40 DEAB CC(C)C1CCC2(CC1)NC(=O)N(C[C@@H](O)C(F)(F)F)C2=O 158216528 LDSRWEMSQKFXQL-RUETXSTFSA-N 322.327 2.046 0 40 DEAB Cc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(S(C)(=O)=O)C3)c1 101115567 QJJLOVPIPSNZCZ-GJZGRUSLSA-N 321.442 2.104 0 40 DEAB COc1ccccc1C(=O)Nc1ccc(NS(C)(=O)=O)cc1 11362459 BXOIWUAIVOIQDP-UHFFFAOYSA-N 320.370 2.319 0 40 DEAB Cc1ncnc(N2CC(Cn3cc(Br)cn3)C2)c1C 1889083370 SHBLKQCMHXFYSG-UHFFFAOYSA-N 322.210 2.189 0 40 DEAB COc1ccc(NC(=O)c2cc(OC)c3c(c2)OCO3)cc1O 78546297 BCGOYNLNSNBEPG-UHFFFAOYSA-N 317.297 2.390 0 40 DEAB CN(C)[C@H]1COC2(CCN(C(=O)[C@]3(C)CC=CCC3)CC2)C1 1565555900 RRZGIXVQYXOTAL-NVXWUHKLSA-N 306.450 2.445 0 40 DEAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)C1CCC1 38754920 PLZSKOTVYUHVMV-UHFFFAOYSA-N 300.314 2.487 0 40 DEAB O=C(NCCCOc1cccc2cccnc12)c1cnccn1 44455595 JSVLNPNFRQGSSX-UHFFFAOYSA-N 308.341 2.224 0 40 DEAB O=C(/C=C/c1ccccc1)NC1CCN(c2cnsn2)CC1 575615421 FCDMSHFYIGVOMB-VOTSOKGWSA-N 314.414 2.337 0 40 DEAB CS(=O)(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1ccco1 8734900 JQCMOMAQECMBGJ-ZDUSSCGKSA-N 306.343 2.096 0 40 DEAB Oc1ccccc1N1CCN(Cc2nnsc2Cl)CC1 40466063 YQEKILHEMSOECB-UHFFFAOYSA-N 310.810 2.219 0 40 DEAB CCCOC(=O)[C@H]1[C@@H]2C(=O)N(C3CCCCC3)C[C@@]23C=C[C@H]1O3 100833732 LGIAPXVOZIRQPS-ADAWSYLGSA-N 319.401 2.054 0 40 DEAB C[C@@H]1CN(C(=O)Nc2cccc(-c3nnco3)c2)C[C@@H](C)O1 40526943 IQCPUTXEQVNNEZ-GHMZBOCLSA-N 302.334 2.378 0 40 DEAB CC(C)c1noc(CCCC(=O)N[C@H]2CCN3CCCC[C@H]23)n1 40534864 RROLNZVIBPUCJG-UONOGXRCSA-N 320.437 2.259 0 40 DEAB O=C(Nc1nnc2ccccn12)c1ccc(N2CCCC2=O)cc1 31805859 MOZUIVQQFKXILD-UHFFFAOYSA-N 321.340 2.108 0 40 DEAB COc1ccc(C)cc1NC(=O)c1n[nH]c(=O)c2ccccc12 211530 KJANFGCHLAYEOF-UHFFFAOYSA-N 309.325 2.492 0 40 DEAB Cc1cccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 33174712 PRKUZYHEWKKGOX-NSHDSACASA-N 311.341 2.212 0 40 DEAB CN1N=C(c2cccs2)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]21 102971529 OTKZEPUDALMARI-GXTWGEPZSA-N 317.414 2.084 0 40 DEAB CC(C)NC[C@H](O)COc1c(F)cc(Br)cc1F 230603 HAVZRONFLIJBFX-VIFPVBQESA-N 324.165 2.465 0 40 DEAB O=C(Nc1cc(CCc2ccccc2)n[nH]1)c1cccc[n+]1[O-] 77035967 JVHBEGKNLYCYOC-UHFFFAOYSA-N 308.341 2.081 0 40 DEAB CN1CCN(c2ccc(NC(=O)c3cccc(F)c3)nc2)CC1 47523081 QZIYESJWBZCSKI-UHFFFAOYSA-N 314.364 2.225 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1ccccn1 78880332 RELZFDZXODTRLG-RHSMWYFYSA-N 300.406 2.299 0 40 DEAB O=C(N[C@@H]1CC[S@](=O)C1)c1cc(-c2cccc(Cl)c2)no1 78963645 CHRVCGMKIBATFL-WSVYEEACSA-N 324.789 2.246 0 40 DEAB C[C@@]1(C(=O)Nc2cccc(CN3CCCC3=O)c2)CCCO1 79069298 RTUKZPFSYQKPDU-KRWDZBQOSA-N 302.374 2.317 0 40 DEAB COC(=O)[C@@H]1C[C@H](O)[C@H](N2CC[C@H](c3ccccc3)[C@H](C)C2)C1 79464447 BBFPQCGIBKPOHV-XNJHUCFUSA-N 317.429 2.425 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@H](C)O[C@@H](C)C3)cc(=O)oc12 22625911 DNLLXNSBTRHASX-QWRGUYRKSA-N 303.358 2.416 0 40 DEAB biogenic COc1ccc2c(c1)[C@@H](NC(=O)C1CC1)CCN2C(=O)C1CC1 97137902 QUUXTVFDHGOHTM-HNNXBMFYSA-N 314.385 2.409 0 40 DEAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCn2c(nnc2C(F)(F)F)C1 102739793 DTCGKHNYWHBUIS-GUBZILKMSA-N 314.311 2.075 0 40 DEAB Cc1nn(C)c(C)c1CCNC(=S)NCc1cccs1 84012208 HPVBDCJIXHXNGA-UHFFFAOYSA-N 308.476 2.305 0 40 DEAB CCCOc1cccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 106577526 MUFBEPFNUIRUHM-RDJZCZTQSA-N 318.417 2.068 0 40 DEAB Nc1c(Cl)cccc1C(=O)OCC(=O)NCc1ccccc1 8919291 FNNOTAXMSRDQHT-UHFFFAOYSA-N 318.760 2.395 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)NCCc1ccc(OC)cc1 26771953 QAXVIQVHHJQSFX-OAHLLOKOSA-N 322.405 2.125 0 40 DEAB COc1ccccc1NC(=O)COC(=O)Cc1cccs1 3240506 MCYUKCOMUYVYDI-UHFFFAOYSA-N 305.355 2.481 0 40 DEAB COCCOCC(=O)Nc1cc2c(cc1Cl)OCCCO2 26984607 MVTBOGNGWIMJMH-UHFFFAOYSA-N 315.753 2.103 0 40 DEAB Cc1noc([C@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 27034924 HGCNCVFGZULNAO-BDAKNGLRSA-N 302.334 2.121 0 40 DEAB CN1CC[C@H](NC(=O)NCc2cc3c(s2)CCCCC3)C1=O 95399481 KYXZAZCKQCEVKX-ZDUSSCGKSA-N 321.446 2.047 0 40 DEAB O=C(OCCn1cccn1)c1cc(-c2ccc(F)cc2)[nH]n1 52765862 HZTDDQSVUYXBAD-UHFFFAOYSA-N 300.293 2.269 0 40 DEAB Cc1occc(=O)c1OCC(=O)NCc1ccc(Cl)cc1 44921547 MGMKKAWECSDGER-UHFFFAOYSA-N 307.733 2.297 0 40 DEAB CCOc1cccc2c1OCC(C(=O)NC[C@H]1CCOC1)=C2 44939951 QCTOXEVIIBZBPH-GFCCVEGCSA-N 303.358 2.014 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC(C)CC1 58370862 ZZQSHBILYYZCHW-UHFFFAOYSA-N 300.366 2.235 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)NC[C@H]3CCCO3)n2)cc1 2216920 HUHPPGGUEUVZDO-CQSZACIVSA-N 315.373 2.273 0 40 DEAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCN(C)CC1 28297079 CFWSESJFJBWWHC-KRWDZBQOSA-N 315.461 2.175 0 40 DEAB CS(=O)(=O)Cc1ccc(C(=O)Nc2ccccc2O)cc1 45644218 BVWRNPBYVBKEHU-UHFFFAOYSA-N 305.355 2.189 0 40 DEAB Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)c1C 3374959 FSSJWNVCOOWYHL-CYBMUJFWSA-N 313.419 2.308 0 40 DEAB O=C(Cc1ccccc1)N1CCN(C[C@H](O)c2ccccc2)CC1 46069164 CWMWQXTUWRWEPW-IBGZPJMESA-N 324.424 2.107 0 40 DEAB CCc1noc(C)c1C(=O)NCc1ccc(OC)c(C(=O)O)c1 72307161 YRPSXYDKLKIMBH-UHFFFAOYSA-N 318.329 2.182 0 40 DEAB O=C(/C=C\c1cccc2ccccc12)NCCN1CCOCC1 12961354 OHJLKDLCRHNWQH-HJWRWDBZSA-N 310.397 2.301 0 40 DEAB CC[C@@H](C)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251822 OPWWCEQJIKQEQN-LLVKDONJSA-N 304.419 2.271 0 40 DEAB CCc1nnc(SCC(=O)Nc2nc(C)c(C)s2)n1C 9226680 RSYBCVULOTZTBZ-UHFFFAOYSA-N 311.436 2.182 0 40 DEAB O=C(NCc1cccc(F)c1)c1ccc(C(F)(F)F)[nH]c1=O 65474381 YCHWHQKBXROZIK-UHFFFAOYSA-N 314.238 2.463 0 40 DEAB O=C1[C@@H]2[C@@H](N=NN2Cc2ccccc2)C(=O)N1c1ccc(F)cc1 4483466 UZUGHLNIWOWFQD-CABCVRRESA-N 324.315 2.319 0 40 DEAB CN(Cc1ccccc1)C(=O)CCNC(=O)Nc1ccccn1 65577273 WFQKDZOFWIBIGQ-UHFFFAOYSA-N 312.373 2.252 0 40 DEAB CCOC(=O)c1ccoc1Cn1cnc2sccc2c1=O 14188893 PUMCUENIJQLGIS-UHFFFAOYSA-N 304.327 2.276 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1ccccc1Cl 71416950 DGHYOZPFGOUGMQ-NEPJUHHUSA-N 316.792 2.298 0 40 DEAB CS(=O)(=O)Cc1cccc(C(=O)NCc2ccccc2F)c1 5405468 WJQZFOVNZHGJDT-UHFFFAOYSA-N 321.373 2.300 0 40 DEAB CC(=O)NCc1ccc(C(=O)CSc2nccn2C)s1 6972253 TZNGEGONDZZZHI-UHFFFAOYSA-N 309.416 2.093 0 40 DEAB CN1CCC[C@H](CNC(=O)CSCC(=O)c2ccccc2)C1 72273294 IQPQGBIJHBNHKQ-CQSZACIVSA-N 320.458 2.061 0 40 DEAB CC[C@H](C)NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O 4905480 NGHVIJTXJIUJNB-JTQLQIEISA-N 318.826 2.021 0 40 DEAB COc1ccc(CNc2nnc(-c3ccccc3)c(=O)[nH]2)cc1 16693042 DTFUPVFQNCWAPM-UHFFFAOYSA-N 308.341 2.453 0 40 DEAB Cc1nc(C(=O)NCc2cccnc2)nn1-c1ccc(F)cc1 17169156 IZJZJBYFUMXJCY-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)NC2(C(=O)O)CCCCC2)c1C 71802828 BXBYKUNMSZAPJR-UHFFFAOYSA-N 306.362 2.351 0 40 DEAB Cc1cnn(C[C@H]2CN(Cc3ncc(C(C)(C)C)o3)CCO2)c1 69631010 NHHUUYTZXOZMAP-CQSZACIVSA-N 318.421 2.378 0 40 DEAB OC[C@@H]1CCCN1CCc1nc(-c2ccc(Cl)cc2)no1 71920949 RWLZUQSTUDEGQZ-ZDUSSCGKSA-N 307.781 2.389 0 40 DEAB C[C@@H](NC(=O)Cc1ccccc1O)c1cn(-c2ccccc2)nn1 84667497 NITDIZDDWIRHIH-CYBMUJFWSA-N 322.368 2.393 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)N1CC[C@H](Oc2cccnc2)C1 95416755 MOZGPYTZIRTZNS-BBRMVZONSA-N 315.373 2.469 0 40 DEAB CS[C@@H](C)CCNC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 95400502 DWWXIWLBJVURGT-HOCLYGCPSA-N 322.474 2.145 0 40 DEAB NC(=O)[C@@H](Sc1ncc[nH]1)c1cccc(Br)c1 95448540 PBUARTSBPMOPPZ-VIFPVBQESA-N 312.192 2.491 0 40 DEAB COc1ccc(-c2noc(CCc3nc(C)no3)n2)c(OC)c1 85235652 WKKRHDPCIHSKIX-UHFFFAOYSA-N 316.317 2.230 0 40 DEAB COc1c(NS(=O)(=O)c2cc(C)sc2C)c(C)nn1C 95959970 VTGSEALXBRBTMP-UHFFFAOYSA-N 315.420 2.216 0 40 DEAB CN(C)C(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89311969 MUPGVTSZEWIDCH-GHMZBOCLSA-N 315.200 2.301 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)CCCn3ccnc3C)C2)n[nH]1 89598979 XMEJGGALTFTTQJ-OAHLLOKOSA-N 315.421 2.409 0 40 DEAB CCNC(=O)NC(=O)CN1c2ccccc2CC[C@@H]1C(C)C 89977474 DQWFAAMXVMEAIA-CQSZACIVSA-N 303.406 2.310 0 40 DEAB COc1cc(N[C@H]2CCCN(Cc3cccs3)C2)nc(N)n1 1529167945 RXWJGZSWFRRMCD-NSHDSACASA-N 319.434 2.205 0 40 DEAB OCCNc1nc(Nc2ccc(Cl)cc2)c2nc[nH]c2n1 36354448 DNAOHWXUOZWPNR-UHFFFAOYSA-N 304.741 2.154 0 40 DEAB COc1cccc(CNC(=O)COC(=O)c2ccsc2)c1 72333929 FGGVNQIDGCCIGG-UHFFFAOYSA-N 305.355 2.230 0 40 DEAB O=C(NC1CCN(c2ncccn2)CC1)c1ccc(F)cc1 32803905 RUSORHIMXVRSNW-UHFFFAOYSA-N 300.337 2.015 0 40 DEAB CN(CC1CC1)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccc(F)c1 72251317 WXVXMBKVCNTLLR-ZBFHGGJFSA-N 304.365 2.214 0 40 DEAB COc1cc(OC)cc(C(=O)NC[C@@](C)(O)c2ccccc2)c1 70639594 UVPLFLFGEFZFBK-GOSISDBHSA-N 315.369 2.341 0 40 DEAB CN(C(=O)C(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCSC1 126929754 IJQWKUMSFQOTAE-CQSZACIVSA-N 304.415 2.078 0 40 DEAB COc1ccc([C@@H]2CCN(C(=O)c3snnc3C)C2)cc1 38935489 BVXCBHMMNMTBPR-GFCCVEGCSA-N 303.387 2.485 0 40 DEAB Cc1cncc(C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 72385163 NOGPHFWENUAOIB-UHFFFAOYSA-N 317.414 2.353 0 40 DEAB CC(C)c1cccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)c1 77937872 GTSAYVOEUFUZOL-GDBMZVCRSA-N 318.417 2.416 0 40 DEAB Cc1nn(C)c(C)c1CN(C)C(=O)CC[C@@H](C)N1CCCC1 72390318 BMAXYLKJRKOIRQ-CYBMUJFWSA-N 306.454 2.260 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)c1cccc2c1OCCO2 79028444 VCAGQPSJNSLMRI-OAHLLOKOSA-N 313.353 2.230 0 40 DEAB COCCn1ccc2cc(NC(=O)N[C@H](C)[C@@H](C)CO)ccc21 77702211 OCFVBINAFHOUGL-QWHCGFSZSA-N 319.405 2.426 0 40 DEAB Cn1c(=O)sc2cc(NS(=O)(=O)c3ccccc3)ccc21 46017379 JYFGGCGARXBZQI-UHFFFAOYSA-N 320.395 2.401 0 40 DEAB Cc1cc([C@H]2CCCN2Cc2nnnn2Cc2ccccc2)on1 48299752 GYZZADTVDCJJSP-OAHLLOKOSA-N 324.388 2.355 0 40 DEAB O=C(Nc1ccc(F)cc1)Nc1cnc(N2CCOCC2)nc1 224263802 ZTPSBTYTSWNYOQ-UHFFFAOYSA-N 317.324 2.096 0 40 DEAB O=S(=O)(C1=C(N2CCOCC2)CCC1)[C@@H]1C[C@@H]2C=C[C@H]1C2 45027613 OLIYZLWATISSAJ-DVOMOZLQSA-N 309.431 2.094 0 40 DEAB C[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)C[C@@H](C)O1 226747418 RYAFSGXMRVMEKE-QFSBIZTOSA-N 320.364 2.345 0 40 DEAB Cc1nc(CN(C)Cn2nc(C(C)(C)C)ccc2=O)cs1 96403651 OHPDFAIKDKGVBC-UHFFFAOYSA-N 306.435 2.395 0 40 DEAB O=C1NC[C@@H]2CN(Cc3ccc(Oc4ccccc4)o3)CCN12 97236454 FWIVIEJSUIUZTO-CYBMUJFWSA-N 313.357 2.281 0 40 DEAB CSC[C@H](C)N(C)S(=O)(=O)c1cc(F)c(F)c(F)c1 96428090 JGHSKQUCISZKTP-ZETCQYMHSA-N 313.366 2.476 0 40 DEAB O=C(c1ccco1)N1C[C@H]2C[C@@H](C1)N(Cc1nccs1)C2 96058510 TXKOMMZILYQDSJ-RYUDHWBXSA-N 303.387 2.083 0 40 DEAB COc1ccc2c(c1)OC(C)(C)CN(C(=O)c1cncn1C)C2 580062250 UNHCFRKAHONBTG-UHFFFAOYSA-N 315.373 2.242 0 40 DEAB C[C@@H](C1CC1)N(C(=O)C[S@@](=O)c1ccc(O)cc1)C1CC1 96452442 HGEFYKANKPCHNL-MQJDWESPSA-N 307.415 2.289 0 40 DEAB COCC[C@@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1 96220222 RJJFKOBMJNLNEP-AWEZNQCLSA-N 306.406 2.073 0 40 DEAB Cn1ncc2c1[C@@H](COCC1CC1)N(Cc1nccs1)CC2 96197767 LLQRGXNNQJOQBX-CQSZACIVSA-N 318.446 2.403 0 40 DEAB Cc1nccc([C@@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)n1 96046372 CMMUMYHILQXWNC-RRQGHBQHSA-N 314.389 2.434 0 40 DEAB Cn1cccc1C(=O)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257200513 ADQFPYADOABOHY-ZDUSSCGKSA-N 309.373 2.316 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cc1 257235815 GZPXHIXZYVOFLM-AWEZNQCLSA-N 319.430 2.362 0 40 DEAB Cc1nc(O)cc([C@H]2COCCN2Cc2sccc2C)n1 257247886 JAZWHUBSQIXAFT-CYBMUJFWSA-N 305.403 2.434 0 40 DEAB CC(=O)NCCNC(=O)Nc1cc(Cl)c(Cl)cc1F 281336248 LNUCOFCVVFMSEY-UHFFFAOYSA-N 308.140 2.390 0 40 DEAB Cc1c(C(=O)NC[C@@H](C)CN2CCCC2)[nH]c2c1C(=O)CCC2 63770040 HYHZGIKTYFSFAI-GFCCVEGCSA-N 317.433 2.304 0 40 DEAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)N1CCOCC1 28191031 ZDMPIEDGUIERMP-LBPRGKRZSA-N 317.414 2.278 0 40 DEAB CC1(C)CO[C@H](c2ccccc2)CN1CCN1CCCC1=O 66896851 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Cc1nn(Cc2nnc(-c3ccc(F)cc3)o2)c(C)c1CCO 97115003 HYQRCMRZTCVTDS-UHFFFAOYSA-N 316.336 2.272 0 40 DEAB COc1ccc(CN2CCN(c3nc(C)cc(C)n3)CC2)cc1 24054884 WQBZMRBHDCJZTC-UHFFFAOYSA-N 312.417 2.424 0 40 DEAB C[C@H](C1CC1)N(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CC1 46057643 LKJJMLGIZSMKCK-LLVKDONJSA-N 307.415 2.493 0 40 DEAB NS(=O)(=O)c1cc(C(=O)Nc2ccccc2)ccc1Cl 46468991 VHBBIDGPWBNOJU-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB CCOc1cc(C(=O)O[C@H](C)C(N)=O)ccc1OCC(C)C 3416338 CFYLOBNPLSBUGZ-LLVKDONJSA-N 309.362 2.151 0 40 DEAB Cc1csc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1 3561941 GPLUXRYVTOZNFU-UHFFFAOYSA-N 315.354 2.076 0 40 DEAB Cc1cccc(OCCCC(=O)N2CCC(C(=O)O)CC2)c1 13167216 ZTNWWSLZQAKALK-UHFFFAOYSA-N 305.374 2.477 0 40 DEAB COc1ccc(OCC(=O)N2CC(=O)Nc3ccccc32)cc1 6061832 DFGIVDQIHPNYBN-UHFFFAOYSA-N 312.325 2.059 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(N)cc(=O)[nH]1 5237876 IBCNQVNRURSFKV-UHFFFAOYSA-N 324.793 2.045 0 40 DEAB O[C@H](CN1CCC(Cn2cccn2)CC1)c1cccc(F)c1 65589541 DBFFHZLHORNKBR-QGZVFWFLSA-N 303.381 2.468 0 40 DEAB 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DEAB Cc1ccn2cc(C(=O)N3CCC[C@H]3Cn3cc(C)cn3)nc2c1 70010791 TUSLEBPXJCDRPG-HNNXBMFYSA-N 323.400 2.452 0 40 DEAB Cc1cccc(C)c1OCC(=O)N[C@@H](C)c1nnc2n1CCC2 69349211 XBXYULJTSGDUFE-ZDUSSCGKSA-N 314.389 2.097 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)c2cc(-c3ccco3)[nH]n2)cn1 69878091 UMKUBJYNTAJODB-CQSZACIVSA-N 311.345 2.381 0 40 DEAB COC(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2O)cc1C 69809453 ZPIYSQBFBWBEAD-ZIAGYGMSSA-N 306.362 2.207 0 40 DEAB CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)Nc2cccnc2)C1 69948131 GUCCGNKQZWEMIK-CYBMUJFWSA-N 318.421 2.488 0 40 DEAB NC(=O)c1ccc(NCc2ncn(-c3ccccc3)n2)cc1F 92215652 WHIMLOZXWCWADL-UHFFFAOYSA-N 311.320 2.117 0 40 DEAB Cc1noc(C)c1CN1C(=O)N[C@@](C)(c2cccs2)C1=O 84023327 OHMQJJDQPVDZIQ-AWEZNQCLSA-N 305.359 2.320 0 40 DEAB C[C@@H](C(=O)N=c1[nH]cc[nH]1)c1ccc(C[C@H]2CCCC2=O)cc1 95480483 NKJFRLNQHZLKBK-IUODEOHRSA-N 311.385 2.486 0 40 DEAB NC(=O)C1(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)CCCC1 98015811 NMKIIIFXWPSEBZ-YJBOKZPZSA-N 312.413 2.195 0 40 DEAB CN(C)C1(CNC(=O)N2CCCC(C)(C)CC2)CCOCC1 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C[C@@H]1CN(C)C[C@H](c2nc(COCc3ccccc3)no2)O1 527543814 SNSDHPCVRPHTJK-TZMCWYRMSA-N 303.362 2.178 0 40 DEAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1C 32639811 JEWLCYSSWVYCCY-TZMCWYRMSA-N 324.471 2.398 0 40 DEAB Cc1nn2cnnc2c(C)c1CCC(=O)N(C)Cc1ccccc1 71284835 PHULHZDALCWMEK-UHFFFAOYSA-N 323.400 2.332 0 40 DEAB COc1ccc(NC(=O)c2ccc3nnc(S)n3c2)cc1 72221335 ITRMLPSJAIPEEB-UHFFFAOYSA-N 300.343 2.279 0 40 DEAB COc1ccc([C@H]2[C@@H](C(=O)NCC(C)C)CCC(=O)N2C)cc1 72242101 SETYCMRVBIHVAK-RDJZCZTQSA-N 318.417 2.377 0 40 DEAB COC(=O)[C@@]1(F)CCN(c2nc(C)nc3scc(C)c23)C1 126133808 AMPWGHVMIFXWSP-CQSZACIVSA-N 309.366 2.400 0 40 DEAB Cc1ccccc1C(=O)N[C@@H](C(=O)NC[C@H]1CCCO1)C(C)C 36022543 BLYTVNFKCAWBBL-GDBMZVCRSA-N 318.417 2.045 0 40 DEAB Cc1nscc1C(=O)N1CCN(Cc2ccccc2)CC1 40757196 FVGNJKBKHLPADB-UHFFFAOYSA-N 301.415 2.410 0 40 DEAB Cc1ccc([C@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3ON2c2ccccc2)cc1 137492274 CAVFFBJJNMNHHB-YESZJQIVSA-N 322.364 2.471 0 40 DEAB CNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224286358 LFCZQHFVMDAJMD-UHFFFAOYSA-N 318.398 2.180 0 40 DEAB CO[C@@H](CNC(=O)c1cc(-n2cccn2)ccn1)c1ccccc1 134559278 FXRDLTLOVUODRF-KRWDZBQOSA-N 322.368 2.385 0 40 DEAB COc1ccc(NC(=O)Cc2ccc3c(c2)OCCCO3)cn1 44893743 LRNSFIBDICLKKW-UHFFFAOYSA-N 314.341 2.433 0 40 DEAB COc1cccc2c1CCC[C@@H]2NC[C@H](C)N1CCN(C)CC1 194884675 CMRBIFUJNTUGED-YJBOKZPZSA-N 317.477 2.298 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC[C@@H](O)COC[C@@H]1CCCO1)C2 230027600 QDJWMGKQXHYRSH-WXQHOCMDSA-N 311.466 2.347 0 40 DEAB Cc1cccc(CO[C@@H]2C[C@H]3CN(CC4CC4)CCN3C2)n1 96055108 PLAAWENGSOKAHA-ZWKOTPCHSA-N 301.434 2.075 0 40 DEAB O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccnc(-n2cncn2)c1 96412556 MWOZQDDAEDOWST-UHFFFAOYSA-N 323.360 2.295 0 40 DEAB CN(C)C(=O)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96111053 NVFYEUMGFBYURJ-PBHICJAKSA-N 303.406 2.382 0 40 DEAB CCOC(=O)C(CCCNC(=O)OC(C)(C)C)C(=O)OCC 96028494 ALADZXWHQWJVEW-UHFFFAOYSA-N 317.382 2.034 0 40 DEAB CCn1nnc2c1[C@H](COC)CN(Cc1ccc(C)s1)C2 96060835 FSSZFEWAISIVDG-LBPRGKRZSA-N 306.435 2.414 0 40 DEAB COc1ccc(N2C[C@@]3(CCN(C(=O)C4CC4)C3)CC2=O)cc1 96239001 QHLIXXJRXSJRLO-SFHVURJKSA-N 314.385 2.061 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 96426632 PWRBJRYANBDANL-LLVKDONJSA-N 316.279 2.276 0 40 DEAB CCN(Cc1ccoc1)S(=O)(=O)c1cccc2nonc12 96476643 ZDHYTYWRASYMCL-UHFFFAOYSA-N 307.331 2.027 0 40 DEAB COCCC(=O)N1CC[C@@]2(CCN(Cc3ccc(C)o3)C2)C1 96071117 HEYMHNMECJDRGE-QGZVFWFLSA-N 306.406 2.049 0 40 DEAB COc1ccc(CN2CCc3nc(SC)nc(O)c3C2)cc1 96531492 QWDQNEKAPHYEOM-UHFFFAOYSA-N 317.414 2.471 0 40 DEAB COc1ncccc1C(=O)N1CC[C@@H](Oc2cccc(C)n2)C1 238937550 VRLGCVCWRPZPCH-CYBMUJFWSA-N 313.357 2.087 0 40 DEAB Cc1ccc(NC(=O)[C@H]2C[C@@]23C(=O)N(C)c2ccccc23)cn1 96243425 MLUMUEIBJFTKRF-KDOFPFPSSA-N 307.353 2.263 0 40 DEAB CCn1nccc1-c1cc([C@@H]2CCCN(C(C)=O)C2)nc(C)n1 257272924 NEKOXPNUJWYKBJ-CQSZACIVSA-N 313.405 2.394 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)n1 257263880 LRVUWWKORRRLDV-CQSZACIVSA-N 324.388 2.163 0 40 DEAB COc1nn(C)cc1CNC(=O)N[C@H](C)c1cccc(F)c1F 893938674 REGSSXPMXMIXTP-SECBINFHSA-N 324.331 2.267 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cc(C(N)=O)cc(F)c2C)cc1 55615081 VCBMPPPGVHIWIV-UHFFFAOYSA-N 322.361 2.342 0 40 DEAB CN(Cc1ccccc1Cl)C(=O)NCc1nnc2n1CCC2 55077695 CECWSVCDTWATSL-UHFFFAOYSA-N 319.796 2.219 0 40 DEAB COc1ccc(-c2cc(C(=O)O)c(=O)n(CC(C)C)n2)cc1 82463277 MBQVMQUHRSLYOJ-UHFFFAOYSA-N 302.330 2.273 0 40 DEAB Cc1cc(OCC2CCN(c3ccc4nccn4n3)CC2)ncn1 1565520794 QLYXBGWFRZWDDS-UHFFFAOYSA-N 324.388 2.123 0 40 DEAB CCN(CC)CCS[C@H](C)C(=O)Nc1c(C)nn(C)c1C 83092890 GKWJNMFINIBROS-CYBMUJFWSA-N 312.483 2.439 0 40 DEAB Cc1nc(C[S@](=O)Cc2nsc(N(C)C)n2)sc1C 97237081 OUAKFQKUKSPGEU-IBGZPJMESA-N 316.477 2.126 0 40 DEAB O=C(O)[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(C(F)(F)F)cc2)N1 5819001 XSIPSVYSEGMJAV-WDEREUQCSA-N 311.263 2.117 0 40 DEAB CN1CCC[C@@]2(CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)C2)C1 518951132 MRBNEKNNHRHMTM-QGZVFWFLSA-N 314.389 2.228 0 40 DEAB CCOC[C@H]1CN(C(=O)Nc2c(C)cc(C)nc2C)CCO1 529103335 MTOWEUDTUVAIDX-CQSZACIVSA-N 307.394 2.276 0 40 DEAB Clc1cnccc1OCC1CCN(Cc2nnco2)CC1 1848658319 KULADSYNXBELAX-UHFFFAOYSA-N 308.769 2.409 0 40 DEAB Cc1cccc(OC[C@@H]2CCCN(CCn3cccn3)C2)n1 1849482578 AMXVQTDVHUAUOP-MRXNPFEDSA-N 300.406 2.378 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1C[C@]1(O)CC[C@@H](C(C)(C)C)CC1 2037957004 ZESAPOPSWXMJHB-YTGMWSOZSA-N 324.509 2.093 0 40 DEAB CCc1ccc(C(=O)N2CCn3c(COC)cnc3[C@H]2C)cn1 1614940185 HOOPZGMSYLJIFZ-GFCCVEGCSA-N 314.389 2.204 0 40 DEAB CN(C)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1 11693671 GPJYOFFYKGXALP-UHFFFAOYSA-N 304.415 2.274 0 40 DEAB COC(=O)Nc1nc(CC(=O)NCCc2ccccc2)cs1 12440352 HPYZZIFOEXTAMZ-UHFFFAOYSA-N 319.386 2.223 0 40 DEAB Cc1ccccc1CN1N=N[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 101167579 AHSNKODKBLGZNY-HZPDHXFCSA-N 320.352 2.488 0 40 DEAB Cn1ccc([C@@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 585389730 KOBJRBUTBIQFAZ-GFCCVEGCSA-N 323.393 2.128 0 40 DEAB O=C(N[C@H]1CN2CCC1CC2)c1cc(F)c(F)cc1Cl 16383080 TUAAHPNMAKVLSB-ZDUSSCGKSA-N 300.736 2.442 0 40 DEAB CCC(=O)Nc1nnc(SCc2oc(=O)oc2C)s1 226794713 XZGBJBFKPPGTBG-UHFFFAOYSA-N 301.349 2.034 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1F 30321218 ZVSRNMGAEXXENR-JTQLQIEISA-N 310.350 2.269 0 40 DEAB COc1ccccc1CC(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 40107566 MZTMEGQZFUGFMJ-GASCZTMLSA-N 304.434 2.332 0 40 DEAB CN(Cc1ccsc1)C(=O)Nc1ccc(-n2cnnn2)cc1 40526621 WGTPCCSCEDWQNB-UHFFFAOYSA-N 314.374 2.388 0 40 DEAB CN(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccsc1 40500869 OUIUZHJXZURNDK-ZBFHGGJFSA-N 316.426 2.471 0 40 DEAB CCc1c(C(=O)NN2C(=O)[C@@H]3CCCC[C@H]3C2=O)csc1C 101747694 NNCXVCNBBBLORB-VXGBXAGGSA-N 320.414 2.439 0 40 DEAB COc1ccc(C(=O)NCc2ccc(CN(C)C)cc2)c(O)c1 32741400 UVGCWGZXCHVHQK-UHFFFAOYSA-N 314.385 2.392 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)COCc1ccccc1Cl 52665501 DCKZIALSWMDZDY-GFCCVEGCSA-N 307.781 2.258 0 40 DEAB COc1ccccc1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1 419555 DZEAAIBSLTVEGG-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB Cc1ccc(C(=O)NCCCCN2CCN(C)CC2)cc1C 41362209 PFHIKFVTJSPBTA-UHFFFAOYSA-N 303.450 2.061 0 40 DEAB COc1cc(C(=O)N2C[C@@H](C)C(=O)C[C@@H]2C)cc(OC)c1OC 501165 UAYQPVIWWHEFLV-MNOVXSKESA-N 321.373 2.152 0 40 DEAB OC[C@@H](O)CSc1nc(-c2ccccc2)nc2c1CCC2 544037 GAWWRZRLRQHTSY-GFCCVEGCSA-N 302.399 2.078 0 40 DEAB Cc1cc(I)ccc1N1C(=O)C=CC1=O 96770 KEMNWHXTZNKIAK-UHFFFAOYSA-N 313.094 2.029 0 40 DEAB Cc1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1 76501903 SMBMVLGJITVMKI-LSDHHAIUSA-N 309.431 2.423 0 40 DEAB Cc1occc1-c1nnc(SCC(N)=O)n1Cc1ccco1 410585 IHLSPVPVPZIVMB-UHFFFAOYSA-N 318.358 2.065 0 40 DEAB O=C(c1sccc1C1CC1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269265 BSXNUAKUFSCKEL-LSDHHAIUSA-N 320.458 2.297 0 40 DEAB CCC(C)(C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 78532260 UTEVYUIKIOZISG-UHFFFAOYSA-N 313.419 2.021 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 979346 MFGSUSCNDZQBPD-DMDPSCGWSA-N 311.403 2.171 0 40 DEAB CCOc1ccc(Cl)c(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)n1 78896514 QIMYWNATLFJALR-PWSUYJOCSA-N 311.813 2.156 0 40 DEAB Cc1cccc(N2CCN(Cn3ncn(C)c3=S)CC2)c1C 53492105 ASDGJLPVVYBBIV-UHFFFAOYSA-N 317.462 2.348 0 40 DEAB Cc1nc(NC(=O)c2cccnc2Cl)sc1C(=O)N(C)C 2767655 GUBFKDMIIPSZIE-UHFFFAOYSA-N 324.793 2.454 0 40 DEAB Cc1cc(S[C@@H](NC=O)C(Cl)(Cl)Cl)ncn1 3074494 WVBNXKFXDRDCSO-SSDOTTSWSA-N 300.598 2.319 0 40 DEAB Cc1cnc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cn1 47318124 GBCVVPFQINQXCZ-UHFFFAOYSA-N 321.340 2.096 0 40 DEAB CC(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(C(=O)O)c1)C2=O 3147698 ALTYJXDXXBSXOA-UHFFFAOYSA-N 324.292 2.144 0 40 DEAB CCCCOC(=O)c1ccc(NC(=O)CN2CCCC2=O)cc1 8073517 OBFWMXLKLFOURN-UHFFFAOYSA-N 318.373 2.204 0 40 DEAB CN(CC1CCOCC1)C[C@H](c1cccs1)N1CCOCC1 72281492 DMIFOBGBCWMDKF-MRXNPFEDSA-N 324.490 2.480 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cnn(C)c1 25306844 DWPXVFBWCQPQCM-INIZCTEOSA-N 310.357 2.323 0 40 DEAB CC[C@@H](C)NC(=O)Cn1nc(-c2ccc(C)c(C)c2)ccc1=O 57427460 VVGADOOMJDNLSD-CQSZACIVSA-N 313.401 2.442 0 40 DEAB CC1CCN(C[C@H]2CCCN(C(=O)NC[C@@H]3CCCO3)C2)CC1 57924652 ZGCWRNAAFCGMGK-SJORKVTESA-N 323.481 2.319 0 40 DEAB NCCN1C(=O)S/C(=C/c2ccc(OC(F)F)cc2)C1=O 3261587 HOCCGSMGONITOP-JXMROGBWSA-N 314.313 2.283 0 40 DEAB CCOC(=O)NCCC(=O)Nc1nc2cc(Cl)ccc2n1C 58264828 FKADRXVMILTPOA-UHFFFAOYSA-N 324.768 2.301 0 40 DEAB Cc1nnc(NC(=O)NCc2cccnc2OC(C)C)s1 44970375 LMRKCOWAGKWNOI-UHFFFAOYSA-N 307.379 2.350 0 40 DEAB CN1C(=O)CC[C@H](C(=O)Nc2ccon2)[C@H]1c1ccccc1F 57355145 DSJGMNXARNEDTH-XHDPSFHLSA-N 317.320 2.362 0 40 DEAB CCCOc1ccc(S(=O)(=O)NCCCO)c2ccccc12 36638913 QQKCJRHRSONYNR-UHFFFAOYSA-N 323.414 2.289 0 40 DEAB Cn1nnnc1SCc1ccc(OCc2ccccn2)cc1 60059159 CSDAYVSFLKDSSO-UHFFFAOYSA-N 313.386 2.476 0 40 DEAB Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)c(C)c1 3579157 WRRJNTMYKMLCNT-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB Cc1nc(N(C)c2ccccc2)sc1C(=O)NCCCO 22237630 UUWSNZXRWGTWBP-UHFFFAOYSA-N 305.403 2.332 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)O 3887300 OKXWQUBUQJAUNF-SNVBAGLBSA-N 300.152 2.288 0 40 DEAB in-vitro Cc1cc(N2CCN(C(=O)NC(C)C)CC2)nc(C(C)C)n1 9155349 MRYVJYKMQIGYNY-UHFFFAOYSA-N 305.426 2.148 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(O)cc2C1 63466958 CSQGIDRFBSQNBR-NSHDSACASA-N 320.389 2.190 0 40 DEAB Nc1ncnc2sc3c(c12)CCN(C(=O)Cc1ccccc1)C3 9220978 WQCPWYHBMDZDOE-UHFFFAOYSA-N 324.409 2.401 0 40 DEAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)N1CCSCC1 65451946 KTFUADAJJZKNBW-UHFFFAOYSA-N 302.403 2.335 0 40 DEAB O=C(NC[C@@H](Cc1ccccc1)NC(=O)C1CCC1)C1CCC1 65522837 BGNRQVCKOJJVRS-QGZVFWFLSA-N 314.429 2.430 0 40 DEAB C[C@H]1CCCCN1CCNCc1ccccc1N1CCOCC1 66972603 PLJIIYWLPPXIRH-KRWDZBQOSA-N 317.477 2.487 0 40 DEAB O=C1C[C@]2(CCN=N2)C(=O)N1c1ccc(Br)cc1 4901461 ZNQKQKZCPOIANR-GFCCVEGCSA-N 308.135 2.307 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@@H]3CCCO3)c2)n[nH]1 71799582 ZRMRESKEWUPKPA-HZMBPMFUSA-N 315.377 2.469 0 40 DEAB Cc1cccnc1[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)C(C)C 81495996 JYVIMYJVLXEUKJ-RRFJBIMHSA-N 303.406 2.323 0 40 DEAB CN(C)[C@H](CNCCn1c(=O)oc2ccccc21)c1ccco1 69157781 DGPWHHSXAWSVTQ-CQSZACIVSA-N 315.373 2.080 0 40 DEAB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccco1 8290095 MITLOQIWFPSNMO-OAHLLOKOSA-N 315.325 2.037 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CCN(Cc2cccnc2)CC1 69391912 MTPACNXQDKXEMK-CYBMUJFWSA-N 313.405 2.221 0 40 DEAB COC(=O)c1cc(CN(C)C(=O)c2cnc(C)s2)oc1C 69418524 LZYNILBRYBIMND-UHFFFAOYSA-N 308.359 2.412 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@@H](n2cccn2)C1 69431828 GHQREELABNOKEG-CYBMUJFWSA-N 310.357 2.431 0 40 DEAB C[C@H]1CN(C(=O)c2cc(C(N)=O)cs2)c2ccccc2O1 71896830 OSMMRDNGQOLUSN-VIFPVBQESA-N 302.355 2.275 0 40 DEAB C[C@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)n1cncn1 69527728 RBNOWJYDCFSJSY-GFCCVEGCSA-N 302.353 2.216 0 40 DEAB C[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)CN1CCCC1=O 71833122 UPJAQVNPAXFNMG-CYBMUJFWSA-N 318.392 2.232 0 40 DEAB Cc1ncsc1C(=O)N1CCCN(Cc2cscn2)CC1 71824841 UKMAEYNIQCJNMI-UHFFFAOYSA-N 322.459 2.256 0 40 DEAB CCc1nccn1[C@H]1CCCN(C(=O)COc2cccnc2)C1 69922168 QDDVYNFBEFSBDW-AWEZNQCLSA-N 314.389 2.083 0 40 DEAB CCO[C@@H](C)c1nc(Cn2cnc3ncccc3c2=O)cs1 95401574 OVFLALUEQDOVAT-JTQLQIEISA-N 316.386 2.394 0 40 DEAB O=C(c1ccn2cncc2c1)N(CCO)CCc1ccccc1 95441455 XXEYZINWMWYCIE-UHFFFAOYSA-N 309.369 2.012 0 40 DEAB COc1ccc(-n2nc(N)c3c(N4CCOCC4)cccc32)cc1 72233736 OIKCIZIACXGDJR-UHFFFAOYSA-N 324.384 2.453 0 40 DEAB CCSc1ccc([C@@H](C)NC(=O)NCCNC(C)=O)cc1 89275302 QKSNYPWGDKBFAN-LLVKDONJSA-N 309.435 2.295 0 40 DEAB CCn1nc(C)c(NC(=O)N[C@@H](CO)Cc2ccccc2)c1C 89475356 YLWXDTVLHNJSJN-OAHLLOKOSA-N 316.405 2.245 0 40 DEAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCCO1 89894328 NPTPICFHFYUPKI-SOUVJXGZSA-N 321.421 2.283 0 40 DEAB CC[C@H]1CN(C(=O)c2ccc(OCC3CC3)nc2)C[C@@H]1N(C)C 89948530 AOFPRFQNBWSXQY-HOCLYGCPSA-N 317.433 2.283 0 40 DEAB CCNc1ncc(C(=O)NC[C@@](C)(O)c2ccc(F)cc2)s1 89910530 PUJJWACJHRPRHI-OAHLLOKOSA-N 323.393 2.352 0 40 DEAB CC(C)c1nc([C@H]2CCCN2CC(=O)Nc2nccs2)no1 75581698 UDFYTRYUBZBUJS-SNVBAGLBSA-N 321.406 2.425 0 40 DEAB C[C@]1(C(=O)N[C@H]2c3ccccc3C[C@H]2O)CC1(Cl)Cl 110697669 UJAMNHLMZCYHBY-NTZNESFSSA-N 300.185 2.345 0 40 DEAB CO[C@H]1CCC[C@@H]1OC(=O)C1CCN(C(=O)N2CCCC2)CC1 69663075 FJIVLXKRUDQCKY-GJZGRUSLSA-N 324.421 2.025 0 40 DEAB CNC(=O)c1nnsc1N1CCC(Cc2ccccc2)CC1 33435884 FZQHAHKWLBTTAJ-UHFFFAOYSA-N 316.430 2.357 0 40 DEAB CCN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)O)c1C 123637734 VYNPFMUAQJCSBM-UHFFFAOYSA-N 305.783 2.377 0 40 DEAB COc1ccc(NC(=O)C(=O)N2CCC(OC(C)C)CC2)cc1 78657700 JKXWAEPCCWMTNH-UHFFFAOYSA-N 320.389 2.050 0 40 DEAB COc1ccc(CN2CCC(C(=O)NC3CC3)CC2)cc1F 55915233 QMHFBUSPTWQTQI-UHFFFAOYSA-N 306.381 2.325 0 40 DEAB CNC(=O)CN(C(=O)CCC(F)(F)F)c1cccc(F)c1 74729025 XLBJCTMOQJZPGO-UHFFFAOYSA-N 306.259 2.247 0 40 DEAB O=C1N[C@@]2(C[C@H]3CC[C@@H]2N3Cc2ccncc2)Nc2ccccc21 72327428 DISJTXFLJNDMLU-DKSSEZFCSA-N 320.396 2.370 0 40 DEAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2sccc2C)cc1 70635649 QDUWGBBZJGPUCU-CYBMUJFWSA-N 319.382 2.307 0 40 DEAB Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C)C3)CC2)c1C 78578556 MHHBPQDADNRPRZ-QGZVFWFLSA-N 315.461 2.294 0 40 DEAB O=C(CN1CCN(c2ccccc2Cl)CC1)N1CCCCC1 46082864 NTWPLKSNCXWAAB-UHFFFAOYSA-N 321.852 2.475 0 40 DEAB O=C1N(Cc2ccc(F)cc2)C[C@H]2CN(C3CCC3)CCN12 85436184 HWYNHTJWEQUUEI-MRXNPFEDSA-N 303.381 2.300 0 40 DEAB biogenic,in-vitro CCOC1CC(CCNC(=O)[C@@H]2NCC[C@@H]3CCCC[C@@H]32)C1 1578084469 LXONYACSMXKKQO-SSNHOHEISA-N 308.466 2.476 0 40 DEAB Cc1ccc(CN2CCC(CNC(=O)C(C)(C)O)CC2)cc1 225432311 FYSSNCDEJCZFCE-UHFFFAOYSA-N 304.434 2.094 0 40 DEAB C[C@@H]1C[C@@H](N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 195529827 GQRZYASNEOWHBY-JHJVBQTASA-N 312.410 2.022 0 40 DEAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(CC(=O)O)cc1 226106302 HGEIRIBITJTLJV-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB CS(=O)(=O)c1ccccc1N1CCC[C@@H](c2ncc[nH]2)C1 91480076 OKRIDJFZDUIAEY-GFCCVEGCSA-N 305.403 2.197 0 40 DEAB COc1ccc(Cc2nc(C(C)C)nn2CC(=O)O)cc1OC 97334249 YCIVFACLGWPBFK-UHFFFAOYSA-N 319.361 2.094 0 40 DEAB COc1cccc(-c2noc([C@H](C)NCc3noc(C)n3)n2)c1 96502759 FMNZFUFDEAUAQD-VIFPVBQESA-N 315.333 2.287 0 40 DEAB Cc1noc(C)c1CCNC(=O)NC[C@@](C)(O)c1ccsc1 96419922 NWCKNABNLJIPLX-OAHLLOKOSA-N 323.418 2.102 0 40 DEAB Cc1cccc(OCCN2CCO[C@@H](c3noc(C)n3)C2)c1 95958083 VYQGFEYFMHWENJ-OAHLLOKOSA-N 303.362 2.139 0 40 DEAB CC(=O)NCCCNC(=O)C1(c2cccc(C)c2)CCCC1 96403258 DKNLGSIGCQDRRZ-UHFFFAOYSA-N 302.418 2.449 0 40 DEAB Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CCN3Cc2ccoc2)cs1 96055631 JHPFYPOMJXSPIW-LSDHHAIUSA-N 317.414 2.420 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(N(C)C)cc1 96425520 VBDHKDTYJVALGR-GFCCVEGCSA-N 314.433 2.464 0 40 DEAB C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)N1CC[C@@H](O)C1 96424237 SPUYNUZUKFYIFP-ZWNOBZJWSA-N 307.781 2.441 0 40 DEAB COC[C@@](C)(NC(=O)c1cccc(N(C)C)c1)C(F)(F)F 96443218 UTZMUPOLJDMXND-CYBMUJFWSA-N 304.312 2.450 0 40 DEAB Cc1ccc([C@H]2CCCN2C(=O)Nc2cccc(C(N)=O)n2)o1 96485610 PJMCUZRPJSUTHX-GFCCVEGCSA-N 314.345 2.451 0 40 DEAB COc1c(Br)c(C(=O)Nc2ccccc2)nn1C 96181028 BIUXZJXVHZGYSL-UHFFFAOYSA-N 310.151 2.444 0 40 DEAB C[C@](O)(CNC(=O)Cc1n[nH]c2ccccc12)c1ccsc1 96450400 OJGWGCASSFPZQK-INIZCTEOSA-N 315.398 2.191 0 40 DEAB CN1C(=O)C2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96052499 HVXXYCASQDONIW-UHFFFAOYSA-N 321.380 2.232 0 40 DEAB CCn1cc(C(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)c(C)n1 257234226 GSRMMOCMKXPMKT-MRXNPFEDSA-N 314.389 2.129 0 40 DEAB CCc1cc(C(=O)N2CCC[C@H](c3nc(C)cn3C)C2)on1 257308812 TYEWUISKOKLTSM-LBPRGKRZSA-N 302.378 2.299 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@H](c2ccnc(C)n2)C1 257246059 ISGSCJBOZWZORF-ZDUSSCGKSA-N 312.373 2.208 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3csc(C)n3)C2)n1 257220208 DKADXPCREJMYSP-GFCCVEGCSA-N 304.419 2.052 0 40 DEAB O=c1ccc(C(F)(F)F)cn1CCn1c(=O)oc2ccccc21 26004956 JJKXEISFCUMIIK-UHFFFAOYSA-N 324.258 2.475 0 40 DEAB Nc1ccc(F)c(NC(=O)CCN2CCC[C@@H]2c2cn[nH]c2)c1 585141810 GIARYGYTZJJRAH-OAHLLOKOSA-N 317.368 2.297 0 40 DEAB CC(C)c1nnc2n1CCN(Cc1cn3ccsc3n1)C2 69921860 LEIJLHGGZFIGKE-UHFFFAOYSA-N 302.407 2.127 0 40 DEAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C3CC3)C2)on1 72334765 WNYSGOMWTJFGSN-LBPRGKRZSA-N 300.362 2.489 0 40 DEAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1ccc2[nH]cnc2c1 84341083 YRBFEMZQVMTUCQ-HNNXBMFYSA-N 317.295 2.305 0 40 DEAB C[C@@H](N[C@@H]1CCCN(C)C1=O)c1ccc(Br)cn1 580399737 QXDHZIPYZRYLLK-BXKDBHETSA-N 312.211 2.116 0 40 DEAB CC1CCN(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)CC1 91242174 HBPMIPUSMOFFLZ-OAHLLOKOSA-N 324.446 2.214 0 40 DEAB CSC[C@H](C)C(=O)NC1CCN(c2cccc(C)n2)CC1 96408198 YQOYZUANYGIDOE-LBPRGKRZSA-N 307.463 2.474 0 40 DEAB COC(=O)c1ccc(Cl)c(CN2CCC(NC(C)=O)CC2)c1 97080388 AINFBMLUYBVNIS-UHFFFAOYSA-N 324.808 2.227 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccccc2OCC)C1 40539175 QGNIRYIFYPEAAG-ZDUSSCGKSA-N 320.389 2.436 0 40 DEAB O=C(c1c[nH]c(=O)[nH]1)N1CCS[C@@H](c2ccccc2)CC1 218984027 VNYWIKICCIUZDA-CYBMUJFWSA-N 303.387 2.023 0 40 DEAB C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 95442425 FSXSGWHLQIMQKK-GXFFZTMASA-N 303.811 2.264 0 40 DEAB NC(=O)c1cccc2cn([C]3C=CC(=C4CCCNC4)C=C3)nc12 1560405155 DQIKAAJJWVIUKD-UHFFFAOYSA-N 319.388 2.321 0 40 DEAB O=C([C@@H]1CN(CC2CC2)[C@H]2c3ccccc3OC[C@@H]12)N1CCC1 1772595563 FZMJWELGBDTZDI-RYRKJORJSA-N 312.413 2.310 0 40 DEAB CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1 5251567 DTOKFFBEQULMGI-UHFFFAOYSA-N 315.348 2.147 0 40 DEAB Cc1ccc2nc(COC(=O)c3ccc(O)cc3)cc(=O)n2c1 5426074 FIQYUZWYCCRDSU-UHFFFAOYSA-N 310.309 2.066 0 40 DEAB O=C(O)C1(C[C@H]2CC(c3ccc(F)cc3)=NO2)CCNCC1 12157299 YZYHHUHLFYKQDQ-CYBMUJFWSA-N 306.337 2.163 0 40 DEAB Cc1cnn(CC(=O)N2CCCC[C@H]2CN2CCCCCC2)c1 19239915 CHXJKEJFCXKNCV-KRWDZBQOSA-N 318.465 2.449 0 40 DEAB Oc1cc(Cn2cccn2)nc2cc(-c3ccc(F)cc3)nn12 19406174 MGGFOUMVZLHZGK-UHFFFAOYSA-N 309.304 2.486 0 40 DEAB Cc1nn(C)cc1CN1CCC[C@](C)(C(=O)NC2CCCC2)C1 19746713 XTTLINRDLJQKMW-SFHVURJKSA-N 318.465 2.389 0 40 DEAB Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)C(C)(C)C)c1 3377031 AJOCFMYYQFINGD-UHFFFAOYSA-N 305.374 2.192 0 40 DEAB Cc1ccc(CNC(=O)CCn2c(=O)n(C)c3ccccc32)cc1 12265849 OWPMRFADXIEIGB-UHFFFAOYSA-N 323.396 2.355 0 40 DEAB CN(C)C(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 6108706 PSGMKRVWZKCOCP-UHFFFAOYSA-N 322.459 2.333 0 40 DEAB CCc1ccc(C(=O)NCCc2nc(C(=O)O)cs2)s1 90939783 AXEDIOPVMVVGDU-UHFFFAOYSA-N 310.400 2.438 0 40 DEAB O=C1CS(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21 21365332 CZWDYEYEBHIIQS-UHFFFAOYSA-N 311.359 2.420 0 40 DEAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(=O)oc1 36662393 AGADZZNIBNJXGH-UHFFFAOYSA-N 302.311 2.286 0 40 DEAB CN(C)c1ccnc(N2CCC[C@H](COc3nccs3)C2)n1 2298184003 LZJMISLEGNZHCG-LBPRGKRZSA-N 319.434 2.295 0 40 DEAB C[C@@H]1CN(Cc2cc(=O)oc3cc4c(cc23)OCO4)C[C@@H](C)O1 20610108 MWCWHPXKIQVACZ-GHMZBOCLSA-N 317.341 2.131 0 40 DEAB biogenic C[C@@H]1[C@@H](NC(=O)Cn2nnc(-c3ccccc3)n2)CCC[C@H]1C 102460628 VNIKLRHNGQFDDE-IPYPFGDCSA-N 313.405 2.281 0 40 DEAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2)CC1 32994449 YLYCLWRPAXMGFR-CJNGLKHVSA-N 315.417 2.385 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC 269994 XTHZBJOZPGTQHB-VXGBXAGGSA-N 313.419 2.370 0 40 DEAB COCCCCNC(=O)c1cccnc1OCC(F)(F)F 47199494 DJSJUROQLXJRFQ-UHFFFAOYSA-N 306.284 2.179 0 40 DEAB Cc1nc(C(C)(C)C)sc1C(=O)N1CCn2c(C)nnc2C1 71185953 QRZIYINSTRKKKQ-UHFFFAOYSA-N 319.434 2.305 0 40 DEAB O=C1OCC[C@@H]1N1CCC(CN2CCc3ccccc32)CC1 78643332 ZMURFHUGKABOEU-KRWDZBQOSA-N 300.402 2.077 0 40 DEAB CCc1nnc(NS(=O)(=O)c2ccc(OC)cc2C)s1 79020024 YCKGDLMXRLLRET-UHFFFAOYSA-N 313.404 2.218 0 40 DEAB CCc1nnsc1C(=O)NC[C@H](c1ccccc1)N(C)C 22622926 YCEPLTNFZNOONT-CYBMUJFWSA-N 304.419 2.133 0 40 DEAB Cc1nc(CNS(=O)(=O)c2cc(F)cc(F)c2)cs1 42114471 AQCGAKXZYKQFSF-UHFFFAOYSA-N 304.343 2.208 0 40 DEAB C[C@H](CNC(=O)NCCc1ccccn1)N1CCc2ccccc21 47635569 FNAOMIAQYBHEHI-OAHLLOKOSA-N 324.428 2.375 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc(-n2cccn2)cc1 24725732 BTNOJFRJAOYZLU-HNNXBMFYSA-N 315.373 2.190 0 40 DEAB O=C(NCCc1cccc(F)c1)c1ccc(-n2ccnc2)nc1 25248831 PMDNZDUFFGEWAG-UHFFFAOYSA-N 310.332 2.379 0 40 DEAB CC1(C)C[C@@H]2C[C@](C)(CN2Cc2oc(CO)cc(=O)c2O)C1 100796539 YCAFKKRJYVISFP-DIFFPNOSSA-N 307.390 2.238 0 40 DEAB O=C(NC1CC1)C1CCN(C[C@H](O)c2ccc(Cl)cc2)CC1 55913020 XICAOPLPUPIQHN-INIZCTEOSA-N 322.836 2.364 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2ccc(F)c(Cl)c2)[nH]n1 51356895 RXPWIKPBXXSFBB-UHFFFAOYSA-N 311.700 2.306 0 40 DEAB C[C@H]1CN([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)C[C@H](C)O1 58166263 WYWRSQFEKYSKCP-UGUYLWEFSA-N 304.434 2.404 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N2CCC(N3CCCCC3)CC2)no1 26439494 JCMLVLWPAFYRJQ-AWEZNQCLSA-N 320.437 2.260 0 40 DEAB O=C(NC[C@@H]1CCCO1)NC[C@@H](c1ccco1)N1CCCCC1 44892509 PXCINJUHWUBHLK-GJZGRUSLSA-N 321.421 2.285 0 40 DEAB Cc1cc(C(=O)OCCOC(C)C)ccc1N1CCNC1=O 58281744 SIJCJIRRYVXBLV-UHFFFAOYSA-N 306.362 2.106 0 40 DEAB CC[C@@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccc(F)cc1 97141856 UVZAYJZVMIUNOW-CQSZACIVSA-N 313.394 2.013 0 40 DEAB C[C@H](NC(=O)CCc1nc(-c2ccsc2)no1)[C@H]1CCCO1 27872584 NFFQKIHDHQMFOL-CMPLNLGQSA-N 321.402 2.414 0 40 DEAB CCCc1nnc(S)n1CC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 58391680 PMFRMOSYVOFKNO-GRYCIOLGSA-N 310.467 2.460 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)O[C@H](C)C(=O)N1CCC(C)CC1 12734253 DOWHMEBIHNBCKD-CYBMUJFWSA-N 321.373 2.060 0 40 DEAB CCOC(=O)C(=CNc1ccc(NC(C)=O)cc1)C(=O)OCC 3367960 FYRHDKBBZKHCAM-UHFFFAOYSA-N 320.345 2.067 0 40 DEAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCC(N)=O)c1 45756513 HOUUBTKADFTXIO-ZDUSSCGKSA-N 306.406 2.267 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c(C)c1 29107495 UMNLRFDOBWEOMO-UHFFFAOYSA-N 314.389 2.027 0 40 DEAB C[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccccn2)CC1 2650586 OIXAWEDXZJXISR-OAHLLOKOSA-N 310.401 2.231 0 40 DEAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CNCCCO 12865032 VJGNKICNSMDWIQ-CXHZTBPHSA-N 307.434 2.417 0 40 DEAB biogenic Cc1ccc(OCCC(=O)OCC(=O)N2CCCCC2)cc1 3525235 PJLVOQSMTVIWFT-UHFFFAOYSA-N 305.374 2.320 0 40 DEAB CCCCN1C(=O)c2ccc(C(=O)Nc3cn[nH]c3)cc2C1=O 12973532 SGNWTQWSXBXXRK-UHFFFAOYSA-N 312.329 2.058 0 40 DEAB CON(C)C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 38604005 CEWGAKSJXWSJMA-AWEZNQCLSA-N 308.378 2.347 0 40 DEAB Cc1nc(/C=C/C(=O)Nc2ccnn2C[C@@H]2CCOC2)cs1 63827193 LPKBYMMCHNQKHG-JDGPPOGSSA-N 318.402 2.336 0 40 DEAB COc1ccc(F)cc1C(=O)COC(=O)c1c(C)noc1C 5195318 IUKVSDZLNYJGLW-UHFFFAOYSA-N 307.277 2.479 0 40 DEAB NC(=O)[C@@H]1CN(C(=O)Cc2c(F)cccc2F)c2ccccc21 87282159 SNJWCLZQJIDZOK-GFCCVEGCSA-N 316.307 2.123 0 40 DEAB C[C@H]1CN(c2ncnc3c2cnn3C)C[C@H](c2ccccc2)O1 65415444 AGRLSQLOVYJPTK-SWLSCSKDSA-N 309.373 2.330 0 40 DEAB Cc1ccc(OCC(=O)Nc2ncn(Cc3cccnc3)n2)cc1 65610913 BRBDNYADTUZLAO-UHFFFAOYSA-N 323.356 2.047 0 40 DEAB CC[C@H](C)N(C)CCNC(=O)c1csc(-c2cnn(C)c2)n1 66125090 SMBVPMAGOMMTHR-NSHDSACASA-N 321.450 2.004 0 40 DEAB C[C@H](NCC(=O)NC(=O)NC1CC1)c1ccc(F)c(Cl)c1 97033154 ROWYNSYIPVBMOC-QMMMGPOBSA-N 313.760 2.118 0 40 DEAB CC[C@@H]1CCN(C(=O)NC[C@@H]2CCCN(c3ncccn3)C2)C1 94061185 ABRFHMYSXHMKHC-CABCVRRESA-N 317.437 2.135 0 40 DEAB CN1CCN(c2nc(-c3ccc4c(c3)OCO4)cs2)CC1 15480013 YRUVLTZINIKSCR-UHFFFAOYSA-N 303.387 2.291 0 40 DEAB CN(C)C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 15544470 HVPWPKDGQOUOTH-UHFFFAOYSA-N 300.358 2.292 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(O)cc2O)[C@@H]1C 7255341 RFYORTMJCRUQQO-JTNHKYCSSA-N 321.373 2.196 0 40 DEAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1 68235808 BZQVDPGMXJENHU-GHMZBOCLSA-N 321.283 2.484 0 40 DEAB CC(C)(C)C(=O)N1CCN(Cc2nc(-c3ccco3)no2)CC1 71802014 UYLTVDRLKRXPBC-UHFFFAOYSA-N 318.377 2.020 0 40 DEAB O=C(c1ccn(-c2ccccc2)n1)N1CCN2CCCC[C@H]2C1 71839795 RXDWDKOVDDGNAO-INIZCTEOSA-N 310.401 2.183 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2cccc3c2CCCC3)c[nH]1 71800735 NGJHAAJVLDYWSN-UHFFFAOYSA-N 320.370 2.393 0 40 DEAB Cc1c(C(=O)N2CCN3CCCC[C@H]3C2)cnn1C(C)(C)C 71839759 RSPLSMJOHBHHRY-AWEZNQCLSA-N 304.438 2.257 0 40 DEAB O=C(CCCn1cncn1)Nc1cc(-c2ccsc2)n[nH]1 71850291 OLVGBIAOYSZISV-UHFFFAOYSA-N 302.363 2.149 0 40 DEAB O=C(c1c(F)cccc1F)N1CCN(C[C@@H]2CCCCO2)CC1 69027531 SOSDPNAAFAKDFS-ZDUSSCGKSA-N 324.371 2.292 0 40 DEAB O=C(CCc1ccco1)N1CCC(OC[C@H]2CCCO2)CC1 81655163 LNIVOJSUFNKFRB-MRXNPFEDSA-N 307.390 2.399 0 40 DEAB CN1CCC[C@H]1CCN1CCN(C(=O)c2ccc(F)cc2)CC1 83877906 YBOZFTNFMWEFEO-KRWDZBQOSA-N 319.424 2.068 0 40 DEAB CCCN(CC(=O)Nc1c(C)n[nH]c1C)C[C@@H]1CCCCO1 71908269 KXHVAYVMWNHXTP-AWEZNQCLSA-N 308.426 2.246 0 40 DEAB Cc1cc(C)n(-c2cncc(NCc3ccnc(N(C)C)c3)n2)n1 71924480 DTNLUMBGUYFFOZ-UHFFFAOYSA-N 323.404 2.352 0 40 DEAB O=C(CONC(=O)CCC1CCCCC1)NCC(F)(F)F 69455296 DFPFGHMYLYEGRG-UHFFFAOYSA-N 310.316 2.073 0 40 DEAB Cc1nnc2n1CCN([C@@H](C)c1nnc(-c3cccs3)o1)C2 69460255 CPXVHRYAKDUWMU-VIFPVBQESA-N 316.390 2.275 0 40 DEAB Cc1nnc2n1CCN(C(=O)c1cccc(-n3cccc3)c1)C2 69484678 GMTVONBIQARKEQ-UHFFFAOYSA-N 307.357 2.033 0 40 DEAB C[C@@H](CC(=O)NC[C@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 72295028 ZKXTVMQVOKPUCL-SJCJKPOMSA-N 319.380 2.077 0 40 DEAB Cc1noc([C@H](C)NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1 69589048 XDUQHAZNIBVGER-GMXVVIOVSA-N 310.398 2.334 0 40 DEAB C[C@@H]1CCCCN1C(=O)CSc1nc(=O)ccn1C1CC1 69623007 FBWAOXFUPVWXJY-LLVKDONJSA-N 307.419 2.071 0 40 DEAB O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1cn[nH]n1 72294809 UCUQGNRZTYIRKW-VIFPVBQESA-N 304.659 2.492 0 40 DEAB O[C@@H](CN1CCn2cccc2[C@@H]1c1ccccc1)Cn1cccn1 69744573 BEXNBAYDUZJYNH-HKUYNNGSSA-N 322.412 2.151 0 40 DEAB CN1CCO[C@@H](CNCc2cc(-c3ccc(Cl)cc3)no2)C1 72267885 GXQHMSKNXJKKRX-HNNXBMFYSA-N 321.808 2.415 0 40 DEAB CS(=O)(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)C1CC1 69775244 YGDTZMIOHVFAAL-UHFFFAOYSA-N 322.308 2.425 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)NC1CCCCC1 95461073 ZIAAOGCFODKABB-AWEZNQCLSA-N 306.410 2.442 0 40 DEAB CC[C@H](C(=O)Nc1cccc(-c2cn[nH]c2)c1)N1CCCC1=O 95977309 UKKXTUDAAUXNKH-OAHLLOKOSA-N 312.373 2.416 0 40 DEAB C[C@H](CCNC(=O)c1cc2ccccc2cc1O)[S@](C)=O 95971378 STWBXCQPENPJJC-WSVYEEACSA-N 305.399 2.432 0 40 DEAB COC(=O)c1ccc(CS(=O)(=O)N(C)c2ccccc2)cc1 20108267 FVVPUBVCRPXRNF-UHFFFAOYSA-N 319.382 2.439 0 40 DEAB C[C@@H](C(=O)NCCc1ccc(F)cc1)N(C)CC1(O)CCCC1 89478705 AKKYLPAJWYKGRS-AWEZNQCLSA-N 322.424 2.110 0 40 DEAB Cc1ccc(NC(=O)N2CCC(N(C)CCCO)CC2)cc1F 89644041 WMKZVFIWPACGFN-UHFFFAOYSA-N 323.412 2.445 0 40 DEAB O=C(CCCc1nc(C2CC2)no1)NCC1(O)CCCCCC1 89818840 JFXJCIJHWKKAPH-UHFFFAOYSA-N 321.421 2.471 0 40 DEAB CCOc1cc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)ccc1OC 89990987 PTFPFEDLYGUAOF-XJKSGUPXSA-N 320.433 2.440 0 40 DEAB CN1CCN(C(=O)C[C@H](c2ccsc2)n2cccc2)CC1 524734919 JAYXAEDAYCBJPP-OAHLLOKOSA-N 303.431 2.303 0 40 DEAB CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(N)=O 34235404 DDMFCQAPZYKTON-CYBMUJFWSA-N 303.362 2.089 0 40 DEAB O=C(NCC1(O)CCOCC1)[C@H]1C[C@H]1c1ccccc1Cl 75229371 ZFHMETMYHRZYDM-STQMWFEESA-N 309.793 2.101 0 40 DEAB COC(=O)C1CCN(C(=O)[C@@H](C)Oc2cc(C)cc(C)c2)CC1 219544873 QKMFKVHROMJFKI-CQSZACIVSA-N 319.401 2.482 0 40 DEAB O=C(NCc1cn2c(n1)CCCC2)NCc1cc(F)ccc1F 71856693 ZOCPARMBIUITOM-UHFFFAOYSA-N 320.343 2.497 0 40 DEAB CCn1ncc(-c2n[nH]cc2I)c1C 72339184 BXHPJUIHIHBSTA-UHFFFAOYSA-N 302.119 2.206 0 40 DEAB COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(C)=O)cc1 72354599 JVBKQIORIFTFRI-HNNXBMFYSA-N 312.373 2.418 0 40 DEAB Cc1cc(CC(=O)NCCc2nc3c(s2)CCCC3)no1 73282482 XLZXWTPKAVTKMY-UHFFFAOYSA-N 305.403 2.220 0 40 DEAB O=S(=O)(c1ccccc1)[C@H]1[C@H](CO)[C@@H]1c1cccc(F)c1 225663840 KYVOZJXDVMYRLH-PMPSAXMXSA-N 306.358 2.374 0 40 DEAB CCOC(=O)CN(C(=O)c1c2ccccc2nn1C)C(C)(C)C 225652553 KRCDPFHRNRPDJH-UHFFFAOYSA-N 317.389 2.377 0 40 DEAB CC(C)[C@H](NC(=O)Nc1ccncn1)c1nc(C2CC2)no1 194094123 VLAUFUYOMYXXFT-NSHDSACASA-N 302.338 2.256 0 40 DEAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)C 224132271 KUELMMZPNMBKMG-QGZVFWFLSA-N 304.434 2.401 0 40 DEAB COc1cncc(CN(CC(=O)O)Cc2ccc(F)c(F)c2)c1 570577069 PYYBWDXZRBWHMM-UHFFFAOYSA-N 322.311 2.455 0 40 DEAB CCC[C@H](C)[C@H]1CCCN1C(=O)C(=O)Nc1cnc(CC)nc1 130493387 WAHOTDHQULECTA-GXTWGEPZSA-N 318.421 2.405 0 40 DEAB COc1cc(=O)n(C)cc1C(=O)Nc1ccc2ncccc2c1 225649629 HMVVANPHLNNAHB-UHFFFAOYSA-N 309.325 2.194 0 40 DEAB O=S1(=O)CCN(c2cccc(NC[C@@H]3CCC=CO3)c2)CC1 194140661 BTLVQGOLOFQEJQ-INIZCTEOSA-N 322.430 2.026 0 40 DEAB O=S(=O)(c1ccc(Cl)s1)N1CCOc2ncccc21 96452434 WSWYQTBRCFSKOD-UHFFFAOYSA-N 316.791 2.384 0 40 DEAB Cn1cc(N2CC[C@]3(CCCN(Cc4ccoc4)C3)C2=O)cn1 96224622 NJUGVZIJIXNMIQ-KRWDZBQOSA-N 314.389 2.032 0 40 DEAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1nccs1)C2 96044898 BDPQGQFQSAQFPO-ZDUSSCGKSA-N 318.446 2.403 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)c(=O)[nH]1 96432108 MURALJAVBDXJDD-ZDUSSCGKSA-N 322.368 2.360 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)C1 95414382 RWKAFDNPJCOJHG-PBHICJAKSA-N 320.364 2.408 0 40 DEAB Fc1ccc(CN2CC[C@]23CCN(Cc2cc[nH]n2)C3)cc1 96076078 PIBIDVUHKJECPM-KRWDZBQOSA-N 300.381 2.399 0 40 DEAB Cc1ccc(N2CCC[C@H]2COC(=O)c2scnc2C)nn1 96483316 BBSSXISLTYHLNL-LBPRGKRZSA-N 318.402 2.376 0 40 DEAB O=C(CN1CCO[C@H]2CCC[C@H]21)NCc1ccc(Cl)cc1 230082179 LKCSKTBOYADEFQ-CABCVRRESA-N 308.809 2.210 0 40 DEAB Cc1ccc(O[C@H](C)CNC(=O)CCn2ccccc2=O)cc1 96431407 CPUGSJDEPXADRF-OAHLLOKOSA-N 314.385 2.131 0 40 DEAB O=C1NCCN(C(=O)C2=COCCC2)[C@H]1c1ccccc1Cl 97372126 LNNIGSOXDXMXMN-AWEZNQCLSA-N 320.776 2.034 0 40 DEAB CC(=O)N1CC[C@@H]2O[C@@H](COCc3csc(C)n3)CC[C@@H]21 96186767 WVSXUJFXZKKPQS-ILXRZTDVSA-N 310.419 2.137 0 40 DEAB Cc1cc(=NC(=O)NCC2(N)C3CC4CC(C3)CC2C4)cc[nH]1 333241472 ZZDLXGVEGRTDQI-UHFFFAOYSA-N 314.433 2.087 0 40 DEAB CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)C(C)C)CC2 96147047 HKWDSXMMVDXYIV-UHFFFAOYSA-N 323.462 2.208 0 40 DEAB FC1(F)CCN(CC2CC2)C[C@@]12CCN(c1cnccn1)C2 96239747 IUXJCHQGQNBZPV-OAHLLOKOSA-N 308.376 2.424 0 40 DEAB O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCN(c2nccs2)CC1 247940453 PGOBDPIZAIFDFL-MGPQQGTHSA-N 315.442 2.394 0 40 DEAB CCN(CC)S(=O)(=O)N1CCC[C@H](c2ncc(C)s2)C1 257254663 KEDRUTPVVQOCKW-LBPRGKRZSA-N 317.480 2.218 0 40 DEAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccncc2)nc1 257250133 JLDNDJDLCSJBKX-SFHVURJKSA-N 310.401 2.450 0 40 DEAB COc1ccccc1CN1CCOC[C@H]1CCc1cnccn1 257200362 ACYSNKORDBOIFI-QGZVFWFLSA-N 313.401 2.319 0 40 DEAB O=C(c1cnccn1)N1CCC(Cc2cnc3[nH]ccc3c2)CC1 257264318 LTWJBYWNDCQVME-UHFFFAOYSA-N 321.384 2.448 0 40 DEAB O=C(CCSc1ccccc1)N[C@H]1CCn2nccc2C1 390829543 FDKLUFUUWSAHRL-ZDUSSCGKSA-N 301.415 2.497 0 40 DEAB O=C(CC1CC1)N1Cc2cccn2C[C@@H](Oc2ccccn2)C1 575406215 MKDXTZFUROPOED-MRXNPFEDSA-N 311.385 2.473 0 40 DEAB CCOC(=O)C(C(=O)OCC)C(=O)C1(n2cccc2)CCCC1 669370291 CWEXKAIQJQFNCL-UHFFFAOYSA-N 321.373 2.069 0 40 DEAB CO[C@]1(CCC(=O)N(C)C)CCCN(Cc2ncccc2F)C1 585277578 NEHZGWXBHRYABM-KRWDZBQOSA-N 323.412 2.070 0 40 DEAB CC(C)Cn1cc(NS(=O)(=O)c2cc(O)cc(F)c2)cn1 585141084 PAKRLODZFLKODW-UHFFFAOYSA-N 313.354 2.185 0 40 DEAB CC(C)CN(CC(C)C)C(=O)CS[C@H]1CCS(=O)(=O)C1 69817605 WOTQQIYGMGAFMF-ZDUSSCGKSA-N 321.508 2.047 0 40 DEAB COc1ccccc1N1CCN([C@@H](C)c2nc(C)no2)CC1 29870456 HCGDOBJKQSLEGM-LBPRGKRZSA-N 302.378 2.270 0 40 DEAB Cc1ccc(CC(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 32930693 GQGULEZFRPUPQT-UHFFFAOYSA-N 323.396 2.112 0 40 DEAB CCCOc1cc(C)ccc1N[C@H](C)C(=O)NC(=O)NCC 55154175 XFCRLSFJFOJLQH-GFCCVEGCSA-N 307.394 2.430 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2Cc2nnnn2C2CC2)c1 75838494 WENFACMRFYUMCI-MRXNPFEDSA-N 312.421 2.411 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC(Oc3cnccn3)CC2)s1 90678039 SVESAEBXWCIJEE-UHFFFAOYSA-N 318.402 2.234 0 40 DEAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCC(OCC)CC2)c1 1520033395 ZEKRTBIIBGJTLK-UHFFFAOYSA-N 318.373 2.158 0 40 DEAB CN1CC2(CC=CCc3ccccc3OCC1=O)CCNCC2 1615114181 LCDGJSRDPRLNRL-UHFFFAOYSA-N 314.429 2.396 0 40 DEAB Cn1cnc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)c1 1615191993 OOWMBKKIUFTLIW-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=S)N2CCC(C)CC2)cc1 5375782 VKEJTDQZUBUDEY-UHFFFAOYSA-N 312.460 2.290 0 40 DEAB CC[C@H](C(=O)N1CCc2nc(C)[nH]c(=O)c2C1)c1ccccc1 12241920 BSQFAKVDLMQIAI-AWEZNQCLSA-N 311.385 2.157 0 40 DEAB Nc1nc(N)c2ncn(Cc3c(Cl)cccc3Cl)c2n1 13207724 SXLNMLQLYSFXSI-UHFFFAOYSA-N 309.160 2.346 0 40 DEAB Cc1cc2nccc([C@H]3CCCCN3C(=O)c3cnccn3)n2n1 19130680 HYGDOXYLLDPIEL-CQSZACIVSA-N 322.372 2.195 0 40 DEAB Cc1nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)ncc1C(N)=O 19758148 WQZFPLXZBBMGBO-CYBMUJFWSA-N 314.364 2.013 0 40 DEAB Clc1cnc(NC2CN(c3ncnc4ccsc34)C2)nc1 1888875575 GVCQUJJPRYGYQO-UHFFFAOYSA-N 318.793 2.435 0 40 DEAB Oc1cc(C2CCN(CC3CCOCC3)CC2)nc2ccnn12 2037846199 MTJCUVJGDWUVOT-UHFFFAOYSA-N 316.405 2.041 0 40 DEAB CC[C@@H](C(=O)NCc1nnnn1-c1ccccc1)c1ccccc1 10593108 DBFUXFIIWPSQNA-MRXNPFEDSA-N 321.384 2.472 0 40 DEAB CC(=O)N1CCCN(Cc2noc(-c3cccc(C)c3)n2)CC1 30922175 GURHLMITYBHSMZ-UHFFFAOYSA-N 314.389 2.099 0 40 DEAB CCOC(=O)Cn1cnc2c(sc3nc(C)cc(C)c32)c1=O 157384 XSOMCWMXPWRALS-UHFFFAOYSA-N 317.370 2.186 0 40 DEAB COCCNc1nc(Nc2cccc(OC)c2)nc2[nH]cnc12 32123849 HNTXTHVZTXOVHL-UHFFFAOYSA-N 314.349 2.163 0 40 DEAB biogenic Cn1cnnc1SCC(=O)c1ccc2c(c1)CCCC(=O)N2 32322224 WNFXBISBAUMVKW-UHFFFAOYSA-N 316.386 2.065 0 40 DEAB O=C(C1CCCC1)N1CCN(c2ncnc3ccccc23)CC1 32770072 HOUXRGAHPJNWFY-UHFFFAOYSA-N 310.401 2.469 0 40 DEAB C[C@H](NC(=O)NC1CCN(C(=O)C2CC2)CC1)c1ccccc1 32803012 XNTFZSOJUNUABN-ZDUSSCGKSA-N 315.417 2.448 0 40 DEAB Cn1cc(C[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2=O)cn1 72675480 PPOKKSVLCQGLPX-CYBMUJFWSA-N 317.776 2.191 0 40 DEAB Cn1c(CCNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)n[nH]c1=S 78502285 GXFUADPYQJULFK-NEPJUHHUSA-N 320.393 2.079 0 40 DEAB C[C@@H](Sc1nnc2c(n1)[nH]c1ccccc12)C(=O)NC1CC1 1326052 WRJXFJDKWIGZQR-MRVPVSSYSA-N 313.386 2.265 0 40 DEAB Cc1nn2c(S[C@H]3CCc4c(F)cccc43)nnc2nc1O 78989716 HKZXOCAEUGEJSY-NSHDSACASA-N 317.349 2.452 0 40 DEAB CCS[C@H]1CC[C@]1(O)CNC(=O)c1ccc(F)c(F)c1 79001116 TWDLXLZEFQLZNW-JSGCOSHPSA-N 301.358 2.341 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccc[nH]3)C2)c1 79000796 DJEGBXZCHZBWEO-GFCCVEGCSA-N 315.373 2.041 0 40 DEAB NC(=O)C1CCN(Cc2ccc(F)cc2Br)CC1 42229050 ULDSSMXEXUDDGF-UHFFFAOYSA-N 315.186 2.286 0 40 DEAB O=C1SCCN1CCC(=O)N1CCC[C@H]1c1ccncc1 42796547 ZZBOIYIQYCUWNQ-ZDUSSCGKSA-N 305.403 2.304 0 40 DEAB C[C@H]1CCCCN1[C@H](C)CNS(=O)(=O)c1ccccc1F 105579298 JPSUMHDGJXYAHH-QWHCGFSZSA-N 314.426 2.367 0 40 DEAB Cc1cc(C)c(CNC(=O)[C@@H](C)Oc2cccc(F)c2)c(=O)[nH]1 24631970 YPMCMVVOHMTMPR-GFCCVEGCSA-N 318.348 2.215 0 40 DEAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCCO1 106153478 SKYPLRQYDKSGOK-IUODEOHRSA-N 308.809 2.462 0 40 DEAB O=C(CCn1cncn1)N1CCC[C@@H]1C[C@H]1C[C@H]2CC[C@H]1C2 106648495 STXQSMQZUZULNE-CAOSSQGBSA-N 302.422 2.486 0 40 DEAB COc1ccc([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1C 9313563 BGPFEKHKFDMLJE-HNNXBMFYSA-N 307.357 2.450 0 40 DEAB Cc1nccn1-c1ncccc1NC(=O)c1ccnc(N(C)C)c1 57223156 RNVLGJSPDBTSQE-UHFFFAOYSA-N 322.372 2.289 0 40 DEAB O=C1C[C@H]([C@@H]2CCCCN2c2ncnc3sccc23)CN1 108147510 IDGXZYCPEAZRIG-JQWIXIFHSA-N 302.403 2.186 0 40 DEAB C[C@H](c1ccccn1)N(C(=O)[C@H]1CCN(C)C(=O)C1)C1CC1 57512392 RXZFHSVMHOQEDL-OLZOCXBDSA-N 301.390 2.002 0 40 DEAB Cc1cc(NC(=O)[C@H](C)[S@](=O)Cc2ccccc2F)no1 58132425 WFTNQHPMAFQCIR-CWKPULSASA-N 310.350 2.398 0 40 DEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1cccc(O)c1 58278960 INSMMXNDUPPDEH-SJKOYZFVSA-N 313.353 2.279 0 40 DEAB O=C(Cn1cccnc1=O)N[C@H](c1ccccc1)C1CCCC1 58217883 JFETZUSYLVZBJQ-QGZVFWFLSA-N 311.385 2.291 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2c1ccccn1 107709525 ORBFLQCFFQCZBZ-OLZOCXBDSA-N 300.387 2.032 0 40 DEAB COc1cccc(C(=O)N[C@H]2CCCN(C)C2)c1OC(F)F 60411006 OMKQCODRWHGYMA-JTQLQIEISA-N 314.332 2.121 0 40 DEAB Cc1[nH]c(=S)[nH]c(=O)c1CCC(=O)Nc1ccc(F)cc1 10922916 GSCQAICELPIWHS-UHFFFAOYSA-N 307.350 2.451 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3c(c2)NC(=O)CCS3)[C@H](C)CO1 45445735 BHZCSEXKWKQHNK-MNOVXSKESA-N 320.414 2.370 0 40 DEAB COC(=O)[C@@H](NCCN(C)C)c1ccc(Cl)c(Cl)c1 37964857 AEQKJSMTBSTZAY-LBPRGKRZSA-N 305.205 2.359 0 40 DEAB in-vitro COC(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1 29576225 PPNZYAHIFYALBU-UHFFFAOYSA-N 313.353 2.454 0 40 DEAB Cc1cccc(-c2nc(CS(=O)(=O)C[C@H]3CCCO3)no2)c1 46186852 ZVDOSSRFHBAKEC-CYBMUJFWSA-N 322.386 2.139 0 40 DEAB Cc1c(Br)cnn1CC(=O)N1CCCC[C@H]1C 2778835 TTWLZAIGKJOIFQ-SECBINFHSA-N 300.200 2.355 0 40 DEAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)cc1 12974126 RLWZMLXPMYEWBV-UHFFFAOYSA-N 313.353 2.439 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1ccc(OC(F)F)cc1)C(C)C 13012292 XUQNUKRXLNENDN-LBPRGKRZSA-N 300.305 2.387 0 40 DEAB CCn1c(S[C@@H]2CCCCNC2=O)nc2ccsc2c1=O 13005129 DXGLIPDXEQKYDO-SNVBAGLBSA-N 323.443 2.239 0 40 DEAB COc1ccccc1N1CCN(C(=O)Nc2cccnc2)CC1 9155171 VZQITCLYYRKJPP-UHFFFAOYSA-N 312.373 2.444 0 40 DEAB O=C(CNc1cccc2c1C(=O)NC2)Nc1ccc(F)c(F)c1 95349843 OGDTZCWBMAOVGK-UHFFFAOYSA-N 317.295 2.259 0 40 DEAB Cc1ccc(OCCCC(=O)Nc2ncc(C(N)=O)s2)cc1 14163276 LKUGCZUJZIFIFS-UHFFFAOYSA-N 319.386 2.348 0 40 DEAB Cc1ccccc1C1(CNC(=O)[C@@H](C)NC(N)=O)CCCCC1 65621786 CBOUGZXNJPYZQU-CQSZACIVSA-N 317.433 2.370 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2cccc(C(N)=O)c2)c1 9315268 PFIYSILFOBJLNY-UHFFFAOYSA-N 300.314 2.055 0 40 DEAB c1coc(Cn2cnnc2SCc2nc(C3CC3)n[nH]2)c1 95462922 PZHJQRSGVOQJMF-UHFFFAOYSA-N 302.363 2.207 0 40 DEAB O=CN1CCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 5699079 LEVYHCSKICOQMW-UHFFFAOYSA-N 317.336 2.176 0 40 DEAB C[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccccc2)C1=O 6758742 KLALBVRANMPXKC-GFCCVEGCSA-N 309.321 2.319 0 40 DEAB COc1ccc(C(=O)CSc2nnc(C)n2C)cc1OC 4814867 HCBAWBTXPAYZLF-UHFFFAOYSA-N 307.375 2.116 0 40 DEAB COc1ccc(-n2nnnc2S[C@@H]2CCCCC2=O)cc1 6897369 UPFMKUSMBZJPSE-CYBMUJFWSA-N 304.375 2.275 0 40 DEAB Cc1cc(C)n(CCCNC[C@@H](O)COCc2cccs2)n1 6940276 SYRWXXWUTKDRHX-OAHLLOKOSA-N 323.462 2.119 0 40 DEAB Cc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)c(F)c1 15313931 RMKFZZGZMQAZJY-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB O=C1CN(c2ncnc3sc(-c4ccccc4)cc23)CCN1 7000604 NPMXYKAURUVIRO-UHFFFAOYSA-N 310.382 2.295 0 40 DEAB CN(Cc1cccs1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 71799327 MKDASLYXGQKJGL-HNNXBMFYSA-N 318.446 2.277 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccsc1 95436971 QBETXMKQYKWEGP-SMDDNHRTSA-N 321.446 2.304 0 40 DEAB CCOC(=O)CN(C(=O)c1cc(C)n(C)n1)C1CCCCC1 96412043 RRSIPDDYYGNIDG-UHFFFAOYSA-N 307.394 2.067 0 40 DEAB Cc1cc(C[S@](=O)[C@H](C)C(=O)N2CCc3ccccc32)on1 71859045 TZHLFJCBKVGSRB-VERVWZFWSA-N 318.398 2.210 0 40 DEAB CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8265954 AAJGVNFRHZMILF-OAHLLOKOSA-N 318.417 2.199 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)C1 71821067 INIWKOBQZAMAGR-DOTOQJQBSA-N 324.380 2.141 0 40 DEAB O[C@H](CN1CCCC[C@@H]1Cn1cncn1)c1cccc(F)c1 71876384 DOKLGYYDYBRYGY-HZPDHXFCSA-N 304.369 2.005 0 40 DEAB CCCNC(=O)C[S@](=O)Cc1csc(-c2ccco2)n1 69439006 MNOCMFXDFVBYBR-FQEVSTJZSA-N 312.416 2.178 0 40 DEAB COc1ccccc1C[C@H]1CCCN1S(=O)(=O)N1CCCC1 71856541 OXQKZFWOILTWHF-OAHLLOKOSA-N 324.446 2.043 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cn3ccccc3n2)c1 71866868 BWYADUXKCWKCFQ-CQSZACIVSA-N 309.373 2.144 0 40 DEAB CN(CCCS(C)(=O)=O)[C@@H]1CCCN(c2ccccc2)C1 83860847 URZZDIRRGKXZHJ-MRXNPFEDSA-N 310.463 2.022 0 40 DEAB CCCC(=O)NC[C@@H]1CCCN(C(=O)COc2ccccc2)C1 69698915 XPWGVIRAPWLMKR-HNNXBMFYSA-N 318.417 2.220 0 40 DEAB COc1cccc(N2CCC[C@H](Nc3nccn4cnnc34)C2)c1 95404344 WHCPXTBKBVTMKQ-ZDUSSCGKSA-N 324.388 2.214 0 40 DEAB O=C1C[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc2N1 69779550 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O=C(COc1cccc(F)c1)N1CCO[C@H](c2ccccn2)C1 257334892 YHUNOZNQBZRXJA-INIZCTEOSA-N 316.332 2.200 0 40 DEAB O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCCC[C@@H]2O 257239166 HOEQREJORYPRGM-AWEZNQCLSA-N 311.328 2.111 0 40 DEAB COc1cc(CNCc2cc(C(F)(F)F)n(C)n2)ccc1O 256055219 ZTYSFTQBRIAJFL-UHFFFAOYSA-N 315.295 2.443 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)COc3ccccc3F)C2)n1 257296101 RBGAMSIBQZIDTP-GFCCVEGCSA-N 303.337 2.252 0 40 DEAB COCCOc1cc(C(=O)NCc2ccc(F)cc2F)ccn1 253473372 ULFAPLBZHMQUAP-UHFFFAOYSA-N 322.311 2.315 0 40 DEAB O=C(Cc1ccsc1)NCc1ccnc([C@H]2CCCOC2)n1 257209974 BSPUGMPHJKKPQH-ZDUSSCGKSA-N 317.414 2.291 0 40 DEAB Cc1cc(CC[C@@H]2CN(CC3(O)CCCCC3)CCO2)ncn1 257290833 QEMZBCMOWRQYPC-QGZVFWFLSA-N 319.449 2.114 0 40 DEAB NC(=O)CN1CCC2(CC1)CO[C@H](Cc1ccc(Cl)cc1)C2 257265664 LZUHSKHPRSRFNE-OAHLLOKOSA-N 322.836 2.239 0 40 DEAB O[C@@H]1[C@@H](NCC2CCOCC2)CCC[C@H]1Oc1ccccc1 585288816 JQYXQGXMAGSNRE-RCCFBDPRSA-N 305.418 2.364 0 40 DEAB COc1ncc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cn1 585283716 BYCDGPVQPBLQRS-SUMWQHHRSA-N 319.405 2.295 0 40 DEAB CCS(=O)(=O)NCCCc1cn(-c2ccccc2)nc1C 585139762 RXSQVNASTROKIG-UHFFFAOYSA-N 307.419 2.053 0 40 DEAB CN(C)CCCCN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585288574 FBDATNHNGXDDJB-RCCFBDPRSA-N 306.450 2.279 0 40 DEAB O=C(CN1CCC[C@@H](O)C1)Nc1ccc(C(F)(F)F)cc1 32652162 QXGFQTVBFXCOPR-GFCCVEGCSA-N 302.296 2.101 0 40 DEAB O=C(/C=C/c1cccc(F)c1)N1CCC[C@H]1CN1CCOCC1 76066544 WVDXDZHYWDPQEL-LXXRFIIISA-N 318.392 2.162 0 40 DEAB O=C1NCCN(C(=O)c2ccc3cc[nH]c3c2)[C@H]1c1ccccc1 89827816 ZKTJTIWYKSYYCP-KRWDZBQOSA-N 319.364 2.481 0 40 DEAB CCC(C)(C)[C@@H]1CCCN1C(=O)C[C@@H]1CCS(=O)(=O)C1 95972789 FQJSYGZHTCGNBU-STQMWFEESA-N 301.452 2.238 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)[C@@](C)(c2ccccn2)C1 96032564 VNRBOGJMANHNRR-ZBEGNZNMSA-N 306.362 2.291 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](N3C[C@@H](C)C[C@H](C)C3)C2=O)cc1 5043833 IYYCNRSLERBFNP-HEHGZKQESA-N 316.401 2.305 0 40 DEAB Cc1ccc(Cc2nnc(NCc3cccnc3)[nH]c2=O)cc1 5154623 NQQWRDUQYUKULB-UHFFFAOYSA-N 307.357 2.071 0 40 DEAB CC[C@@]1(C(=O)OC)C[C@H](C(=O)O)[C@@H](c2ccc(F)cc2)N1C 12336700 VKNSHFZHNUXUHI-ZENOOKHLSA-N 309.337 2.225 0 40 DEAB COc1ccc(C2=Nc3ccccc3C(=O)NN2C(C)=O)cc1 17031907 HQGDZWBGODBTJY-UHFFFAOYSA-N 309.325 2.280 0 40 DEAB O[C@H]1CCCN(C[C@H](O)COc2ccc3ccccc3c2)C1 2626135 CTNSQDVVUQFZNO-IRXDYDNUSA-N 301.386 2.036 0 40 DEAB Cc1ccc(C)c(C(=O)CCC(=O)OCC(=O)NC2CC2)c1 4368314 QQNIBHSVWMKEMA-UHFFFAOYSA-N 303.358 2.088 0 40 DEAB O=C(O)Cc1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 13420830 OOGYTNDSQOCUKB-UHFFFAOYSA-N 317.316 2.148 0 40 DEAB O=C(Nc1ccccc1Cl)NC1CN(C2CCOCC2)C1 1888853399 SXJWZFZLOVRRPN-UHFFFAOYSA-N 309.797 2.325 0 40 DEAB C[C@]1(C(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@@H]3C2)CC=CCC1 1565550498 ASHHWJHZRVCKIK-MDZRGWNJSA-N 316.445 2.450 0 40 DEAB Cc1cc(C)cc(N(C(=O)C2CC2)[C@@H]2C=CS(=O)(=O)C2)c1 4165620 LATFYJIJVGBLBC-CQSZACIVSA-N 305.399 2.357 0 40 DEAB CCOCCCNC(=O)c1cc2cccc(OCC)c2oc1=O 8843643 MYHRVRDUTQQARE-UHFFFAOYSA-N 319.357 2.348 0 40 DEAB O=S(=O)(NCc1ccnc(-c2ccsc2)c1)c1c[nH]cn1 225758219 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C[C@H](Sc1nncn1C)C(=O)N1c2ccccc2C[C@H]1C 6063385 KXTZZQMVVCOILU-MNOVXSKESA-N 302.403 2.274 0 40 DEAB CC(C)CN1CCC(NC(=O)c2cnc3ccccc3n2)CC1 47634343 SYQJYTDJGFCRNO-UHFFFAOYSA-N 312.417 2.480 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)O[C@@H]1CCCCC1=O 7620022 LYWDWMJGWBWBQJ-CQSZACIVSA-N 303.314 2.040 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1C 24013716 GKKIQMKCEQRTAN-ZIAGYGMSSA-N 319.405 2.061 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(=O)c2ccccc2o1 24723573 XFJOPAPRCYOZJD-LBPRGKRZSA-N 317.341 2.111 0 40 DEAB Cn1cc(C(=O)NCc2nnc3n2CCCCC3)c2ccccc21 25667499 VWIJXFOQNLTGQR-UHFFFAOYSA-N 323.400 2.426 0 40 DEAB C[C@H](NC(=O)N[C@H]1CCCCNC1=O)c1cc2ccccc2o1 43865322 DAGXRDIODHYVQN-AAEUAGOBSA-N 315.373 2.462 0 40 DEAB COC(=O)c1ccc(CN(C)C(=O)c2ccc3nccn3c2)cc1 57781197 BVNAKTGHRNQTBA-UHFFFAOYSA-N 323.352 2.393 0 40 DEAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 20112326 XMDMHUMECQJMGJ-AWEZNQCLSA-N 318.417 2.103 0 40 DEAB C[C@H](NC(=O)Nc1cccnc1N1CCCC1)[C@@H]1CCCO1 48172357 ZQKPFLJTYNAVFP-JSGCOSHPSA-N 304.394 2.371 0 40 DEAB CN(Cc1ccsc1)C(=O)[C@H]1CCCN(c2cnccn2)C1 44893813 IGISXIPYNLHLRZ-AWEZNQCLSA-N 316.430 2.413 0 40 DEAB O=C(Nc1ccncc1)N1CCN(Cc2cccc(O)c2)CC1 58202789 KXYVBRAPTFALHF-UHFFFAOYSA-N 312.373 2.137 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)c2c(C)oc3nc[nH]c(=O)c23)o1 58244703 UMQBQKHSUHWMHB-MRVPVSSYSA-N 301.302 2.217 0 40 DEAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1cccc(F)c1 58356190 RWKDXGNZMAOLKN-LBPRGKRZSA-N 309.362 2.402 0 40 DEAB CCOCCO[C@@H](C)C(=O)Nc1nccn1Cc1ccccc1 58370694 HZZLDTJHOSWYFC-AWEZNQCLSA-N 317.389 2.312 0 40 DEAB C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 100472672 GDYZQHMAUYZCAF-WFQJECDVSA-N 309.406 2.196 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN1CCC[C@H]1c1ccccc1 10339847 YDPJAVDMBNCHMQ-AWEZNQCLSA-N 303.406 2.448 0 40 DEAB CC(C)C(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccccn2)C1 46144952 KLLSPZOGBVUQJE-ZIAGYGMSSA-N 303.406 2.153 0 40 DEAB Cc1ccc(C(=O)NCC(=O)OCCOc2ccccc2)s1 3412243 HLMRJKCKESWSFQ-UHFFFAOYSA-N 319.382 2.409 0 40 DEAB CC[C@@H]1CN(C(=O)C[C@@H](C)n2cccc2)C[C@H]1N1CCOCC1 84735781 IKCTXMXHHBTJMJ-BRWVUGGUSA-N 319.449 2.008 0 40 DEAB COc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 29918063 DKXLGGUKTKUIGS-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB Cc1ccc(OCCOC(=O)c2ccc(-n3cnnn3)cc2)cc1 3416410 PUTKVARWJCOXHM-UHFFFAOYSA-N 324.340 2.207 0 40 DEAB COC(=O)[C@@H](C)[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1 72310558 YEKDKXQXIIHISC-WFASDCNBSA-N 313.357 2.065 0 40 DEAB CC(=O)N1CCc2cc(NC(=O)c3c(C)nn(C)c3C)ccc21 12981262 KRSAZZKNGCIQLU-UHFFFAOYSA-N 312.373 2.198 0 40 DEAB O=C(Oc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1)c1ccco1 3651413 KMZOGWVAUXDYSK-YPMHNXCESA-N 319.338 2.287 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1nccs1 49014945 ISRRJIJDENAWBL-UHFFFAOYSA-N 311.384 2.212 0 40 DEAB CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9155476 IMQJAVZVMWRWMW-UHFFFAOYSA-N 302.783 2.083 0 40 DEAB Cc1cc(C)n(CCc2nc3c4ccccc4nc(O)n3n2)n1 3907060 OQTTXSYXCWBZDZ-UHFFFAOYSA-N 308.345 2.039 0 40 DEAB COc1cc2c(cc1OC)[C@H](NC(=O)C(F)(F)F)CC2=O 4072837 GFZBONQUPPOREX-MRVPVSSYSA-N 303.236 2.010 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nncs3)o2)n1 28227952 OSXYSFVNKIEDGA-UHFFFAOYSA-N 303.347 2.245 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NCCN1CCCC[C@@H]1C 65457645 ZZWDHUWUQLSHQO-LBPRGKRZSA-N 308.426 2.307 0 40 DEAB CCCn1nnnc1CN1CCn2cccc2[C@H]1c1ccccc1 65595827 UDRQHQMMWMIJNS-GOSISDBHSA-N 322.416 2.490 0 40 DEAB Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)CCO4)n[nH]2)nn1C 96116878 GSQPUDTZESULRK-UHFFFAOYSA-N 323.356 2.306 0 40 DEAB COc1cccc(C2=N/C(=C\c3c(C)nn(C)c3C)C(=O)O2)c1 14171057 JEXCMFIPTARCFU-DHDCSXOGSA-N 311.341 2.390 0 40 DEAB Cc1ccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)cc1 14141391 KYICKCRIBDHQDJ-UHFFFAOYSA-N 323.352 2.027 0 40 DEAB O=C(Cc1ccc2ccccc2c1)NC[C@@H]1CN2CCC[C@@H]2CO1 65606463 BLNKRMQBTDWLTD-RTBURBONSA-N 324.424 2.362 0 40 DEAB C[C@H](Sc1n[nH]c(N)n1)C(=O)Nc1ccc(F)cc1Cl 6606345 DLIQILIEAYBRPG-YFKPBYRVSA-N 315.761 2.299 0 40 DEAB COC(=O)c1ccccc1NS(=O)(=O)c1cccc(F)c1 9467851 PDKNHSVUDXIXIR-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB COC(=O)c1cccc(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)n1 67106523 ZUYRSEUBFAQGCI-WFASDCNBSA-N 314.316 2.293 0 40 DEAB O=C(Cn1nc(-c2ccccc2F)ccc1=O)NC1CCCC1 4968195 MMFMXTRIIOZRRV-UHFFFAOYSA-N 315.348 2.108 0 40 DEAB CCCn1c(SCC(=O)N(CC)C2=CCCCC2)n[nH]c1=O 9464214 LFRBKMQAJDXENB-UHFFFAOYSA-N 324.450 2.380 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCCCc2cn[nH]c2C)C12CCC2 80567969 DLUTWKGTXGKFOX-LSDHHAIUSA-N 320.437 2.298 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@@H]1c1ccc(Cl)cc1 96404707 MQTLVAWSUHAXBJ-OLZOCXBDSA-N 316.792 2.298 0 40 DEAB CCN(C(=O)[C@H](C)Sc1nc(N)cc(N)n1)c1ccccc1 7692700 LHXFQLOHMYKOFU-JTQLQIEISA-N 317.418 2.175 0 40 DEAB Cc1n[nH]cc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 71819587 NBHWFWQEWWJXKP-CHWSQXEVSA-N 315.421 2.017 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCC(Nc2cccnn2)CC1 71863453 UXOYFCZRRSQVNT-KBPBESRZSA-N 312.373 2.276 0 40 DEAB C[C@H](C(=O)N1CCN(CC2CC2)CC1)n1cnc2ccccc21 71829920 IMFRFIAQSKHTBN-CQSZACIVSA-N 312.417 2.152 0 40 DEAB CC(C)c1cccc(NC(=O)NC[C@@H]2CN(C)CCN2C)c1 69619934 TWVVTVNMQFJIRP-MRXNPFEDSA-N 304.438 2.177 0 40 DEAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H](C)c2nc(C)no2)cn1 83843431 MGPGHSSQHNVGGB-ZKYQVNSYSA-N 305.382 2.023 0 40 DEAB Cc1nccn1[C@H]1CCCN(C(=O)CCc2nccs2)C1 69771215 WIHJHVUYTRBNCZ-ZDUSSCGKSA-N 304.419 2.444 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)CCc1c[nH]c2ccccc12 18149328 CQDODAIFJAHAEJ-GFCCVEGCSA-N 301.390 2.131 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)c2cc(-c3cccc(Cl)c3)n[nH]2)C1 97019347 VQOKAJYWXSAIMP-SNVBAGLBSA-N 319.748 2.277 0 40 DEAB CC(=O)Nc1cccc(CN2CC[C@@](O)(C(F)(F)F)C2)c1 97012421 BVZRAPCIDXGGAV-ZDUSSCGKSA-N 302.296 2.144 0 40 DEAB Cc1csc([C@H]2CCCCN2C(=O)Cn2ccccc2=O)n1 72273742 HKKINVWLCRIRDX-CYBMUJFWSA-N 317.414 2.367 0 40 DEAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1nncs1 95946938 TXUKLOZEELYHQB-CYBMUJFWSA-N 316.386 2.013 0 40 DEAB COc1ccccc1NCC(=O)NC[C@H](O)c1ccsc1 89481784 KIYUKYXPVRSOPU-ZDUSSCGKSA-N 306.387 2.018 0 40 DEAB CN(C)C[C@H]1CN(Cc2coc(-c3cccs3)n2)CCO1 75133142 ZNGVLPAJVWHTNR-ZDUSSCGKSA-N 307.419 2.166 0 40 DEAB Cc1nccn1-c1cncc(N2CCC(c3ccnn3C)CC2)n1 89735893 YFCYFFGTIWHWFS-UHFFFAOYSA-N 323.404 2.088 0 40 DEAB CS[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nc(C)no1 76018890 HNHYARVCQFOJSN-NWDGAFQWSA-N 312.439 2.284 0 40 DEAB COc1ccc(C(=O)N2CCC(C(=O)NC(C)(C)C)CC2)cc1 32379442 VYSKCHFWMAFGPS-UHFFFAOYSA-N 318.417 2.462 0 40 DEAB C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(SC(F)F)cc1 64536976 HFMTUFSLBXFDNR-MRVPVSSYSA-N 317.361 2.017 0 40 DEAB CCc1nocc1CN1CCC[C@H]1C(=O)NCc1ccco1 507132183 IYTAJMIELCGJGC-HNNXBMFYSA-N 303.362 2.111 0 40 DEAB Cc1cc(C)nc([C@H]2CCN(S(=O)(=O)C3CCCC3)C2)n1 72386253 CJQHHFUPNIKTJF-ZDUSSCGKSA-N 309.435 2.155 0 40 DEAB COc1cccc(OC)c1Nc1c2c(nc3ncnn13)CCC2 35314189 NQWOHQRRAVJGGG-UHFFFAOYSA-N 311.345 2.374 0 40 DEAB CCc1ncc(CN2C[C@H]3ON=C(c4ccccc4)[C@H]3C2)cn1 72343306 ABDJZTMBWZEERC-JKSUJKDBSA-N 308.385 2.274 0 40 DEAB Cc1ccc(Cl)cc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 137103051 CVXBPNFIRICOGM-WDEREUQCSA-N 316.835 2.302 0 40 DEAB CCCOc1ccc(CNC(=O)[C@H]2CCN(C(C)=O)C2)c(C)c1 190085633 DNKMHKIOOQLNQN-INIZCTEOSA-N 318.417 2.268 0 40 DEAB Cc1ccc(CN2C[C@@H]3COC[C@]3(CNC(=O)C(C)C)C2)s1 96108412 HVKXHUSDTLHEOP-PBHICJAKSA-N 322.474 2.277 0 40 DEAB CCCS(=O)(=O)CC(=O)NC[C@@H](C)c1ccc(F)c(F)c1 96432610 JXHIOQWLRDSGAM-SNVBAGLBSA-N 319.373 2.009 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)N1CCCC1)[C@H]2C 96087588 QOWNDDWRYOPBQA-AWEZNQCLSA-N 319.453 2.316 0 40 DEAB Cc1cccc(C(=O)N2CC[C@]3(C[C@@H](OCC4CC4)CO3)C2)n1 96220019 YYCUDMLDVXDLPF-QAPCUYQASA-N 316.401 2.190 0 40 DEAB CC(C)CN1CCO[C@@H](COC(=O)c2ncoc2C(C)C)C1 96411866 MYXPYCZNZKDNBJ-CYBMUJFWSA-N 310.394 2.312 0 40 DEAB CCN1CCOCC12CCN(C(=O)Cc1ccsc1)CC2 96226158 FOGIGGZILAWUOU-UHFFFAOYSA-N 308.447 2.004 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cnc(C3CC3)nc2)C1 257267010 MFOINNHZBVFVOG-CYBMUJFWSA-N 311.389 2.405 0 40 DEAB Cc1ccc(CN2CC[C@@H](c3[nH]ncc3S(C)(=O)=O)C2)cc1 257269406 MPVHMIOKICSHCQ-CQSZACIVSA-N 319.430 2.111 0 40 DEAB O=C(c1cnccn1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257298172 RKMBJMADJPYSBZ-LXZKKBNFSA-N 309.369 2.406 0 40 DEAB CO[C@H]1CCN(Cc2nc3ccccc3n2C)C[C@@]12CCCO2 257292057 QJTYIQPTIVOVPJ-WMZOPIPTSA-N 315.417 2.343 0 40 DEAB Cc1cn2c([C@H]3CCCN3C(=O)CCC(=O)O)cccc2n1 257296784 REKASDIKPPGNRJ-GFCCVEGCSA-N 301.346 2.171 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 257226214 FJRCAUPRIQFARC-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB Cc1ccn(CCC(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)n1 257246802 IVWQOMCCNSMXJC-OAHLLOKOSA-N 315.421 2.094 0 40 DEAB CC(=O)Nc1ccn2ncc(C(=O)NCc3cccs3)c2c1 252508946 XYNGYAYGZJRMQG-UHFFFAOYSA-N 314.370 2.284 0 40 DEAB CCOc1cccc(S(=O)(=O)NCc2cnc(C)s2)c1 282946302 VCNYNERVWCNCQO-UHFFFAOYSA-N 312.416 2.329 0 40 DEAB O=C(N1CC2(C[C@H](Oc3ccccn3)CCO2)C1)C1(F)CCC1 575403586 IZOVPFLHMXEKAP-CYBMUJFWSA-N 320.364 2.113 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)c2cc(Br)c[nH]2)cn1 71796894 HKVDEZCNNVKEAE-GFCCVEGCSA-N 323.194 2.488 0 40 DEAB O=C(NCCc1cccc(F)c1)c1cn(Cc2ccccc2)nn1 44896344 QPORKDJWSDIARP-UHFFFAOYSA-N 324.359 2.438 0 40 DEAB C/C=C/C=C/C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1 49315635 BCMSRMIIEDBFHD-MQQKCMAXSA-N 313.806 2.362 0 40 DEAB CCc1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1 1776009600 LNLCAFURMASMGU-UHFFFAOYSA-N 324.432 2.423 0 40 DEAB Cc1nc(CN2CCN(c3ncnc(C)c3F)CC2)cs1 1776008651 LYOWGUZITRLHCO-UHFFFAOYSA-N 307.398 2.011 0 40 DEAB Cc1cccc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c1 38832721 BYYJAQUUFRTYKZ-KRWDZBQOSA-N 302.418 2.066 0 40 DEAB C[C@@H](c1ccccn1)N1CCN(C(=O)NC2CC=CC2)CC1 97143043 GQPMOSOLUBFLTE-AWEZNQCLSA-N 300.406 2.188 0 40 DEAB Cc1ccc([C@@H](NCCN2C(=O)CNC2=O)c2ccccc2)cc1 84148709 CQNPVFWRTLVPIE-SFHVURJKSA-N 323.396 2.226 0 40 DEAB CC[C@@H](C(=O)NC1CCN(CCOC)CC1)c1ccccc1 85467991 DUBLZNXICSHTPU-QGZVFWFLSA-N 304.434 2.407 0 40 DEAB O=C1CCCN1[C@@H]1CCCN(c2cncc(Br)c2)C1 96429469 PWQMXUYHLRXSBW-GFCCVEGCSA-N 324.222 2.435 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)C(C)C 12885952 YGXDUNDKUMKDQS-GFCCVEGCSA-N 314.288 2.107 0 40 DEAB CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(C(=O)C(C)C)C1 19085428 XUFLCTMCWLGXIO-GOEBONIOSA-N 303.406 2.153 0 40 DEAB Cc1nc([C@@H]2CCN(Cc3cccc(F)c3F)C2)cc(=O)[nH]1 19285261 JQOUXZSBWZDFLO-LLVKDONJSA-N 305.328 2.346 0 40 DEAB O=C(N[C@H]1CCN(c2nccs2)C1)c1cc(C2CC2)on1 206810389 XTONBSUYCQYMFV-JTQLQIEISA-N 304.375 2.017 0 40 DEAB CC(C)(O)[C@H]1CCCN1CC(=O)NC1C2CC3CC(C2)CC1C3 535010973 SPFDZSNTJGJTRN-PKSOCPPESA-N 320.477 2.163 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)N2CCCC2)cc1OCC 6078823 DNWNHRSQWUGZKF-UHFFFAOYSA-N 321.373 2.263 0 40 DEAB O=C([C@H]1CN(c2ccc3ccccc3n2)CCO1)N1CCCC1 1889134415 GSIULJCGJMGVMJ-MRXNPFEDSA-N 311.385 2.062 0 40 DEAB O=C(O)[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2C1=O 1678826 WHOUFHZODDPMPG-OAHLLOKOSA-N 309.321 2.369 0 40 DEAB in-vitro C/C=C1/CN2[C@H]3C[C@@]45C(=O)[C@@H]3[C@H]1C[C@H]2[C@@H]4N(C)c1c(O)cccc15 248092640 VVLPFXAEVKKWTK-SZEDQOGWSA-N 322.408 2.070 0 40 DEAB biogenic CCOc1ccc(NC(=O)[C@H](CC(=O)O)[C@@H]2CCCO2)cc1 141429 NUOVTMVEJZEPSN-KGLIPLIRSA-N 307.346 2.294 0 40 DEAB O[C@]1(CNc2ncnc3ncccc23)CCOc2ccccc21 1775970180 FSNXAKUFPSYWCT-KRWDZBQOSA-N 308.341 2.107 0 40 DEAB COc1ccc(Cl)cc1CS(=O)(=O)Cc1nc(C)no1 40106156 KCMXANPHNRBPGD-UHFFFAOYSA-N 316.766 2.155 0 40 DEAB O[C@@H]1CCCN(c2ncnc3c(Br)cccc23)C1 51148177 XYZGOURZAFNWNE-SECBINFHSA-N 308.179 2.353 0 40 DEAB O=C(Cn1cncn1)Nc1ccc(OCc2ccccc2)cc1 20522809 JXMXTXFYZINXKI-UHFFFAOYSA-N 308.341 2.496 0 40 DEAB CCONC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 32848388 COQLNCIZZXIMDQ-UHFFFAOYSA-N 305.330 2.110 0 40 DEAB COc1cccc(CNC(=O)CCNC(=O)C2CCCC2)c1 32914044 WRHFGZDYNAVNJX-UHFFFAOYSA-N 304.390 2.008 0 40 DEAB Cc1ccccc1OCCn1c(=N)n(CCO)c2ccccc21 19237416 ZBEGSMPQTQCIDO-UHFFFAOYSA-N 311.385 2.302 0 40 DEAB Brc1nc(-[n+]2ccccc2)[nH]c1Br 1562916 XJFWMBUKDFGNNJ-UHFFFAOYSA-N 303.965 2.211 0 40 DEAB N[C@H]1CC=C(COC(=O)[C@](O)(c2ccccc2)C2CC2)CC1 1641832 NVDXAHVZTJDPLS-WMZOPIPTSA-N 301.386 2.265 0 40 DEAB O=C(CF)N[C@@H](NCc1ccco1)C(Cl)(Cl)Cl 19315439 CLYYUVMDEDNEJW-MRVPVSSYSA-N 303.548 2.151 0 40 DEAB COc1cccc(C(=O)NCCCn2nccc2C)c1OC 2799734 YDMCRMNMZWHRNN-UHFFFAOYSA-N 303.362 2.029 0 40 DEAB CC(=O)Nc1ccc(OCCC[n+]2cccc(C(=O)O)c2)cc1 3040230 AHLYTMDXGMOPHH-UHFFFAOYSA-O 315.349 2.100 0 40 DEAB C[C@H](CC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)C1CC1 71185177 JHWAFERHBSBJLV-CYBMUJFWSA-N 316.401 2.113 0 40 DEAB O=C(Nc1cc2c(oc1=O)N1CCN=C1S2)c1ccccc1 6344031 XWKWWGAOAVLXOY-UHFFFAOYSA-N 313.338 2.174 0 40 DEAB COC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6699582 CWIUAGSIBAHCFX-OAACRXHESA-N 317.341 2.159 0 40 DEAB O=C(Nc1ccc(OC(F)F)c(F)c1)N1CCC[C@@H](O)C1 47713829 RKHOEPCDGLRYIK-SECBINFHSA-N 304.268 2.416 0 40 DEAB c1ccc(-c2nnc3ccc(N4CC(n5cccn5)C4)nn23)cc1 71185954 VJHPOOYFAKWPNJ-UHFFFAOYSA-N 317.356 2.049 0 40 DEAB Cc1cnc(C(=O)/N=c2\ccccn2Cc2ccccc2)cn1 105321695 XNQZCUNKFWLUCD-HEHNFIMWSA-N 304.353 2.376 0 40 DEAB CCOc1ccc(CN(CC)CC(=O)NC2CC2)cc1OC 24245599 SHRSIGBWQZEEBP-UHFFFAOYSA-N 306.406 2.194 0 40 DEAB CCCN(CCO)C(=O)NC1CCN(Cc2ccccc2)CC1 24689418 WJYUABMLWZVMBQ-UHFFFAOYSA-N 319.449 2.065 0 40 DEAB CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCCCC2)s1 1269127 VUHHVSUOPXYTBG-UHFFFAOYSA-N 324.450 2.468 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1F 106779059 UFWYNZBGWAMSGS-HZPDHXFCSA-N 320.408 2.462 0 40 DEAB O=C(NC[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](N2CCCC2=O)C1 106911005 ILNQHRBTBWBIHI-VGWMRTNUSA-N 319.449 2.219 0 40 DEAB NC(=O)NC(=O)CCSCc1coc(-c2cccc(F)c2)n1 56244649 OGACNHMMWXDHTL-UHFFFAOYSA-N 323.349 2.299 0 40 DEAB CCS(=O)(=O)Nc1ccc(NC(=O)Nc2cc(C)on2)cc1 56333566 NQNAQYAFOANPBD-UHFFFAOYSA-N 324.362 2.389 0 40 DEAB C[C@H](NC(=S)N1CCC[C@H]1C(=O)N(C)C)c1ccccc1 44071330 RFAMHZXTYMFQOX-JSGCOSHPSA-N 305.447 2.175 0 40 DEAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NC1CC1 3226476 IEFPZKGBFYGRJU-UHFFFAOYSA-N 309.749 2.125 0 40 DEAB CN(C)S(=O)(=O)c1ccc(CNc2ncccc2F)s1 84483229 NWXYNJGRLWNMOV-UHFFFAOYSA-N 315.395 2.145 0 40 DEAB C[C@H](CN[C@H](C(N)=O)c1ccccc1)N1CCc2ccccc21 27014476 YDOZOOHBSMWARS-KDOFPFPSSA-N 309.413 2.254 0 40 DEAB COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)OCC(=O)c1ccccc1 101696458 XFUVBHSAVQVDEC-SDADXPQNSA-N 316.353 2.248 0 40 DEAB C[C@H]1COCCN1C(=O)NCc1ccnc(N2CCCCC2)c1 48251837 JGLVMVGCCPIEBP-AWEZNQCLSA-N 318.421 2.002 0 40 DEAB O=C(Nc1ccncc1)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 58192373 SRFIYBKMTRRNIG-INIZCTEOSA-N 324.384 2.093 0 40 DEAB COc1ccc2c(c1)CCCN2C(=O)CN1CCSC1=O 44891641 WVGVSCVPIGUZLD-UHFFFAOYSA-N 306.387 2.143 0 40 DEAB O=C(Nc1nc[nH]n1)[C@H]1C[C@H]1c1ccc(Br)cc1 58202827 NUVOCUCZODCAQA-UWVGGRQHSA-N 307.151 2.309 0 40 DEAB COc1ncccc1C(=O)N1CCN(Cc2ccsc2)CC1 44907652 XPVRVEPZKJTJGZ-UHFFFAOYSA-N 317.414 2.110 0 40 DEAB C[C@H](OCCCNC(=O)c1ccc[nH]c1=O)c1ccccc1 12741964 ZQJCRECIXJDQGV-ZDUSSCGKSA-N 300.358 2.273 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)COCC(C)C 72281217 DOUCBLGNOCEIAK-GOEBONIOSA-N 308.422 2.389 0 40 DEAB CCn1cc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1 28577022 NLERHDWDIBJWJZ-UHFFFAOYSA-N 307.737 2.215 0 40 DEAB CCN1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O 2485435 IWFOHCPONLSHNQ-UHFFFAOYSA-N 320.304 2.471 0 40 DEAB CN(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2C1=O 10630891 QYULBRHDAVJNJL-UHFFFAOYSA-N 314.366 2.003 0 40 DEAB O=C(COCc1ccccc1Cl)N[C@H]1CCc2nccn2C1 97197535 PILOHKQZFTVKOV-ZDUSSCGKSA-N 319.792 2.184 0 40 DEAB CC(=O)Nc1ccc(-c2noc(-c3csc(CN)n3)n2)cc1 97162966 KDKOHCWLHYDDSI-UHFFFAOYSA-N 315.358 2.277 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 36764072 UQZRHHXWRSQVJM-UHFFFAOYSA-N 301.346 2.067 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C2CCCC2)cc1 20492475 IDPAFCQVLKYRRE-UHFFFAOYSA-N 324.446 2.017 0 40 DEAB COC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ncc(C)s1 64778931 CZFLCSHXEYFVNP-LBPRGKRZSA-N 319.386 2.357 0 40 DEAB CCCCN(C)c1ccc(C(=O)N2CCCS2(=O)=O)cc1 93244505 YTDMTVVSJMXWAR-UHFFFAOYSA-N 310.419 2.099 0 40 DEAB NC(=O)[C@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 14075953 NSBGWFJTIGWXGO-QGZVFWFLSA-N 308.337 2.480 0 40 DEAB COc1cc(NC(=O)NC2CCC(O)CC2)cc(OC)c1OC 65547718 DUJDEYWHFYZASD-UHFFFAOYSA-N 324.377 2.137 0 40 DEAB CC(C)C[C@H]1COCCN1CCn1c(=O)oc2ccccc21 72978994 VUIJZHOFCWDZRF-AWEZNQCLSA-N 304.390 2.341 0 40 DEAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccncc2)cc1C 67283996 JXEFRRQNVYDMHA-UHFFFAOYSA-N 322.372 2.490 0 40 DEAB CCn1nc(C(=O)Nc2cc(C)ccn2)c2ccccc2c1=O 9337108 MNNBDLCMGKIHFW-UHFFFAOYSA-N 308.341 2.372 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 67434297 CGQVTXISJMMNSI-ZIAGYGMSSA-N 323.393 2.010 0 40 DEAB O=C(/C=C/c1ccco1)Nn1cnc2ccc(Cl)cc2c1=O 16263692 CLOGZWJQPJQMLJ-GQCTYLIASA-N 315.716 2.426 0 40 DEAB C[C@H]1OCC[C@@H]1NC(=O)N(Cc1ccccc1)CC(C)(C)O 96493257 TWCKMNCJLPVRCL-HIFRSBDPSA-N 306.406 2.147 0 40 DEAB O=C(NCCO)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 69184281 BCSWAFZDAOPVLJ-NSHDSACASA-N 314.769 2.012 0 40 DEAB CCOCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 8265966 AAJGVNFRHZMILF-HNNXBMFYSA-N 318.417 2.199 0 40 DEAB COc1ccc(-c2noc(COC(=O)c3cccnc3)n2)cc1 8289811 KYYJAGBSBSQKCT-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB Cc1cnn(CCNCc2nnc(-c3ccc(F)cc3)o2)c1 71872079 GKUBZEQJJGSQSN-UHFFFAOYSA-N 301.325 2.170 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69597418 FMQBPUALWPDSQX-HOTGVXAUSA-N 302.418 2.323 0 40 DEAB Cc1cc(C)n(C2CN(C[C@@H](O)c3ccc(F)c(F)c3)C2)n1 71880653 MUOBDFVJEXXRIK-MRXNPFEDSA-N 307.344 2.368 0 40 DEAB COCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 71896692 VKCGKNHSQFKYPZ-CYBMUJFWSA-N 314.788 2.206 0 40 DEAB NC(=O)CCN(C(=O)c1ccc(NC2CC2)nc1)c1ccccc1 69774206 XOLXINIOLHLXNU-UHFFFAOYSA-N 324.384 2.178 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 69709213 SGZBHGLAEMCAQV-HZPDHXFCSA-N 305.422 2.309 0 40 DEAB C[C@H](NC(=O)Nc1cccn(C)c1=O)[C@@H]1COc2ccccc21 95437923 AJGGRGDYYYHCSL-AAEUAGOBSA-N 313.357 2.072 0 40 DEAB CCN(C(=O)Cc1cccc(F)c1)[C@H](C)CS(=O)(=O)CC 71903678 QUOXZYLQAHOWPG-GFCCVEGCSA-N 315.410 2.040 0 40 DEAB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(N)=O 95998843 OAXYBPFXYAXGBN-AWEZNQCLSA-N 318.352 2.080 0 40 DEAB Cn1cc(C(=O)N2CCC[C@H]2Cc2ccc(F)cc2)ccc1=O 95953812 SSJPBBXDIRFTFW-INIZCTEOSA-N 314.360 2.372 0 40 DEAB O=C(NC[C@@H](O)C1CC1)N[C@@H](c1cc(F)ccc1F)C1CC1 74894092 JYVUXBMTFDULHE-HUUCEWRRSA-N 310.344 2.486 0 40 DEAB O=C(c1cccc(Cl)c1)N1CCN([C@@H]2CCC[C@H]2O)CC1 75572266 KUVKLABSQQERQX-HUUCEWRRSA-N 308.809 2.011 0 40 DEAB Cc1ccc(CCNC(=O)NCCN2CCCC[C@@H]2C)cn1 75610405 OAQFIHGFFGCJAS-HNNXBMFYSA-N 304.438 2.106 0 40 DEAB CCN1C[C@@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1=O 75723776 VMBVPGAPQICOQR-FUHWJXTLSA-N 323.396 2.156 0 40 DEAB CCN1C(=O)/C(=C/c2cc3c(cc2C)OCCO3)N(C)C1=S 409048816 PDEUPGYUYZKEQW-WQLSENKSSA-N 318.398 2.186 0 40 DEAB O=S(=O)(Cc1ccccc1)NCCNCc1cccc(F)c1 66875101 ZYYBNGKUNPQWFG-UHFFFAOYSA-N 322.405 2.035 0 40 DEAB C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)CCCc2ccccc21 33249765 KXENIISZQYWXRG-ZFWWWQNUSA-N 316.401 2.040 0 40 DEAB O=C(Cc1cccs1)N[C@H]1CCCN(c2ccccn2)C1 130944002 UAGJAXWNSABCIQ-ZDUSSCGKSA-N 301.415 2.471 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2)nn1 225422864 PZPZJFXXXULLAL-GFCCVEGCSA-N 319.311 2.357 0 40 DEAB O=C(COc1ccccc1)N[C@H]1CCCN(c2ccccn2)C1 130239486 XQCFLCSVNBPEPS-HNNXBMFYSA-N 311.385 2.246 0 40 DEAB COc1ccc(C[S@](=O)Cc2noc(C)n2)cc1Cl 195579637 ASFDFPXDGWTLFP-IBGZPJMESA-N 300.767 2.489 0 40 DEAB Cc1cc(NC(=O)N(C)CC(F)(F)F)ccc1S(C)(=O)=O 195576294 DIKVIDZWQNXURA-UHFFFAOYSA-N 324.324 2.425 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 62914055 VOWWVOOUXYZSHR-LBPRGKRZSA-N 302.252 2.037 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)NCc1cccc(C(=O)O)c1 97228705 OSKXXVQYTUNDBC-SECBINFHSA-N 302.330 2.410 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96053631 AWOVYNXYZOSNMR-OCCSQVGLSA-N 312.394 2.483 0 40 DEAB COc1cc(CO)c(Cl)cc1OCC(=O)N1CCCCC1 95095163 AJTIPZHYMYUPFL-UHFFFAOYSA-N 313.781 2.232 0 40 DEAB C[C@@H](CNC(=O)Cn1ccccc1=O)Oc1ccc(Cl)cc1 96431988 WAGAQMASSMHJLL-LBPRGKRZSA-N 320.776 2.085 0 40 DEAB CC(C)n1nnc(-c2ccc(C(=O)NCc3ccccn3)cc2)n1 96231352 MYROYGUAEVBZHO-UHFFFAOYSA-N 322.372 2.246 0 40 DEAB O=C(O)c1cccc(CNC(=O)c2noc3c2CCCC3)c1 97228658 OHNZZCPLKJWPHF-UHFFFAOYSA-N 300.314 2.182 0 40 DEAB O=S(=O)(c1cccc2nsnc12)N1CCC(CF)CC1 295529488 QDHPPMPWQWNRRR-UHFFFAOYSA-N 315.395 2.062 0 40 DEAB CCO[C@H]1CO[C@@]2(CCN(Cc3ccc4c(c3)OCO4)C2)C1 96107691 UCFHNRSTGZFLHT-PBHICJAKSA-N 305.374 2.185 0 40 DEAB c1cncc(CN2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1 96107754 CVZPLXVIPUTXIQ-MSOLQXFVSA-N 311.385 2.289 0 40 DEAB Cc1noc(C)c1CNC[C@H]1CCc2nnc(C(C)C)n2C1 69588747 APMMNKBXSDOIBW-CYBMUJFWSA-N 303.410 2.359 0 40 DEAB O=C(c1ccc(F)c(F)c1)N1CCC(Oc2cnccn2)CC1 85471803 GSBDUMXPUVJETK-UHFFFAOYSA-N 319.311 2.438 0 40 DEAB CCN1CC[C@]2(CCCN(C(=O)Cc3ccccc3)CC2)C1=O 585102566 WPKLOKOVQBZFQA-IBGZPJMESA-N 314.429 2.480 0 40 DEAB Cc1c(NCc2cnn(C)c2)nnn1Cc1ccccc1F 585140912 LHZZEZIKOKPJEI-UHFFFAOYSA-N 300.341 2.120 0 40 DEAB CO[C@H]1CCCN(C(=O)c2cc[nH]n2)[C@H]1Cc1ccccc1F 585274371 JXQOYUBNTSNEPB-HOTGVXAUSA-N 317.364 2.411 0 40 DEAB Cc1csc(N2CCN(C(=O)c3ccc(C)n3C)CC2)n1 30703027 FVNDKOGALNURJZ-UHFFFAOYSA-N 304.419 2.061 0 40 DEAB Cc1ccc([C@@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)s1 52830704 KXUZGFMAEYMWFC-SNVBAGLBSA-N 317.418 2.220 0 40 DEAB CCCCc1nc(CN(C)Cc2ccc(C(=O)NC)cc2)no1 53604631 OTOKYERVYIIVJI-UHFFFAOYSA-N 316.405 2.404 0 40 DEAB COc1ccc(C(=O)Nc2ccn(Cc3ccncc3)n2)c(O)c1 58294945 WKWYHKLVCFZQQD-UHFFFAOYSA-N 324.340 2.293 0 40 DEAB C[C@@H]1C[C@H](NC2CCN(c3nccs3)CC2)CN1C1CC1 97081086 QKSQDTVLHBAYML-OCCSQVGLSA-N 306.479 2.327 0 40 DEAB CO[C@@H](CCSC)CNS(=O)(=O)Cc1ccc(F)cc1 1775968775 VKKGXJUYGAEMIB-ZDUSSCGKSA-N 321.439 2.013 0 40 DEAB CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)n1N 5413135 RSNLUFMITZMDAR-UHFFFAOYSA-N 319.434 2.292 0 40 DEAB Cc1n[nH]c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 11657554 SFXDVOFIYWERQT-UHFFFAOYSA-N 306.435 2.290 0 40 DEAB COc1ccccc1-c1c(C)nc2nc(SC)nn2c1N 13638154 JHJGJTBAMCPPEI-UHFFFAOYSA-N 301.375 2.412 0 40 DEAB COc1ccc2nc(N3CCN(C(=O)C4CC4)CC3)sc2c1 4583425 QCQWZTDXXVGXKB-UHFFFAOYSA-N 317.414 2.364 0 40 DEAB CO[C@H]1CN(CC(=O)Nc2ccc(C)cc2)CC[C@]12CCCO2 257248465 JDTWIWBMYASEAT-FUHWJXTLSA-N 318.417 2.203 0 40 DEAB CSc1nc(C)cc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)n1 1889074275 KNBZXJIBVGUFAS-BETUJISGSA-N 304.463 2.427 0 40 DEAB C[C@@H]1CN(Cc2nc3c(oc4ccccc43)c(=O)[nH]2)C[C@@H](C)O1 20963077 HEBMMEIANSPWLR-GHMZBOCLSA-N 313.357 2.279 0 40 DEAB CC1CCN(S(=O)(=O)N2CCC[C@H]2c2ccncc2)CC1 23018987 DXSPJALTVRIWFJ-HNNXBMFYSA-N 309.435 2.195 0 40 DEAB Cc1cc(Cl)ccc1CNC[C@@H]1CCN(S(C)(=O)=O)C1 130336943 LJEFEHFNLSCKAV-LBPRGKRZSA-N 316.854 2.020 0 40 DEAB O=C(COc1cccc2c1CCNC2=O)Nc1ccc(F)cc1 4851176 YBHFMWWOKPPLCS-UHFFFAOYSA-N 314.316 2.129 0 40 DEAB CC(=O)Nc1nc(CC(=O)N2CCc3ccccc32)cs1 9814643 VCTGNQXHJNOQFS-UHFFFAOYSA-N 301.371 2.233 0 40 DEAB Cc1ccc(-c2cc(=O)n(CC(=O)NCc3ccco3)cn2)cc1 13806686 HKTAVYPQABLJQK-UHFFFAOYSA-N 323.352 2.128 0 40 DEAB c1cncc(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)c1 2055738590 ADSGNKCGDPYLLF-HNNXBMFYSA-N 312.417 2.313 0 40 DEAB CCc1cnc(N2C[C@@H]3CN(c4ncccc4F)C[C@@H]3C2)nc1 2086860437 UPUJHXLNLUCDPM-OKILXGFUSA-N 313.380 2.146 0 40 DEAB CCc1cnc(N2CCC(Oc3ccn4nccc4n3)CC2)nc1 2298070633 ZSCIAYNTLAVQDB-UHFFFAOYSA-N 324.388 2.130 0 40 DEAB NC[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2Cl)C1 50247803 PQERABFAXFRRHG-SECBINFHSA-N 302.205 2.213 0 40 DEAB O=C(NCCCN1CCCC1=O)c1sccc1-n1cccc1 40489143 YDOWDYJMHFHVSY-UHFFFAOYSA-N 317.414 2.281 0 40 DEAB COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](N3CC=CC3)C2)c1 101277884 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DEAB Cc1cc(C(=O)OCc2cc(=O)n3ccsc3n2)c(C)o1 3464042 AFZOFPDTDHVNGH-UHFFFAOYSA-N 304.327 2.323 0 40 DEAB O=S1(=O)C[C@@H]2N=C(Nc3ccccc3Cl)S[C@@H]2C1 3907049 DCCHZFRJFOZWKY-VHSXEESVSA-N 302.808 2.020 0 40 DEAB CCCCc1noc([C@@H](C)N2CCC(CNC(C)=O)CC2)n1 47771770 XINTWKXXBWXNPT-GFCCVEGCSA-N 308.426 2.321 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c1C 4548599 BDZUTPJTUNFODO-SNVBAGLBSA-N 320.389 2.249 0 40 DEAB C[C@H]1CNCCN1C(=O)c1ccc(Br)c(F)c1 54369279 FGVBXLLGZVOPHX-QMMMGPOBSA-N 301.159 2.022 0 40 DEAB C[C@H](Sc1ccc(Br)cc1)C(=O)NCCO 97464349 QVWAVRMEIJSHSX-QMMMGPOBSA-N 304.209 2.038 0 40 DEAB CNC(=O)NC(=O)[C@H](NCc1cccs1)c1ccccc1 24148582 JQAWCWRQNNMJCV-CYBMUJFWSA-N 303.387 2.035 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Oc2cccc(OC)c2)c1 24260280 XDKHMVVTGRWRMJ-UHFFFAOYSA-N 322.338 2.250 0 40 DEAB O=C1C[C@@H](CNc2nc3ccccc3c(=O)[nH]2)c2ccccc2N1 84585366 GEFHIIRMDOOOJW-NSHDSACASA-N 320.352 2.461 0 40 DEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1ccncc1 9220351 MKLGWFNUPNXRNB-LBPRGKRZSA-N 319.386 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323.347 2.349 0 40 DEAB Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2CCCO2)nc1 48232059 ZYKCZHBQIYVIQK-ZIAGYGMSSA-N 306.410 2.059 0 40 DEAB CCS(=O)(=O)NCc1ccc(OCc2ccccn2)cc1 48286598 ZPBHINXHGPMFIS-UHFFFAOYSA-N 306.387 2.100 0 40 DEAB O=C(NCC1CCC1)N1CCC(c2nnc3ccccn23)CC1 48229848 PLBFXOOUHTZTFJ-UHFFFAOYSA-N 313.405 2.418 0 40 DEAB COc1ccc([C@H](C)NC[C@H]2CNc3ccnn3C2)cc1F 58305871 MLHUHLFIVJIQHV-RYUDHWBXSA-N 304.369 2.423 0 40 DEAB COC(=O)c1cccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1 58308031 PTZAZYIUTYBOFL-SWLSCSKDSA-N 320.389 2.193 0 40 DEAB Cc1cccc(CCNC(=O)c2ccc(S(C)(=O)=O)cc2)c1 58326806 DYAVJASQHPFGKZ-UHFFFAOYSA-N 317.410 2.371 0 40 DEAB Cc1cc(N)nc(S[C@H]2CCN(c3ccccc3)C2=O)n1 68044425 RLZAFCZAKKQFKN-LBPRGKRZSA-N 300.387 2.265 0 40 DEAB COc1ccc(OC)c(NC(=O)Cc2c(C)nn(C)c2C)c1 10512242 DWZDNCOKBUABNT-UHFFFAOYSA-N 303.362 2.235 0 40 DEAB CCOC(=O)NC(=O)COC(=O)c1cccc2ccccc12 2664687 JQXAHHIVULCVNM-UHFFFAOYSA-N 301.298 2.269 0 40 DEAB C[C@H]1CCCC[C@H]1OCCn1c(=O)[nH]c2ccccc2c1=O 46565086 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CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc(F)cc2[nH]cnc12 69741064 CCUKMEVPSDBNQW-CABCVRRESA-N 316.380 2.401 0 40 DEAB Cc1ncc(C(=O)NS(=O)(=O)c2ccc(C)c(C)c2)s1 69820019 PBVSMJQIQGWDIL-UHFFFAOYSA-N 310.400 2.187 0 40 DEAB CCCSCC(=O)N[C@@H](c1ccccc1)c1n[nH]c(C)n1 69892395 GURJLFLCSVZWPU-AWEZNQCLSA-N 304.419 2.462 0 40 DEAB CCCn1nccc1N1C(=O)[C@H]2Cc3ccccc3CN2C1=O 69951986 DYTMLFBYWOIVAY-CQSZACIVSA-N 310.357 2.187 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCc1ccccn1 69928383 VZJMTMLZRSFWNT-DLBZAZTESA-N 301.434 2.490 0 40 DEAB O=C1C[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)CN1C1CC1 72285856 DQFLNUOTHKIIDF-DGCLKSJQSA-N 319.430 2.208 0 40 DEAB CCN1C[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC1=O 72285977 XNFFIKZBINOYRH-VXGBXAGGSA-N 307.419 2.065 0 40 DEAB O=S(=O)(C[C@H]1CCCOC1)N1CCC2(CCCCC2)C1 97166198 IRCQTRJXJMLOAH-AWEZNQCLSA-N 301.452 2.399 0 40 DEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@H]([C@@H](C)O)C1 97107876 NDAKMVHBXKRREY-UPJWGTAASA-N 310.369 2.005 0 40 DEAB O=C(c1cc(F)ccc1Cl)N1CCN(c2ncccn2)CC1 72331384 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Cc1cc(C)n(CCSCc2cc(=O)n3ccccc3n2)n1 78769090 WWSXCQHKKMKFMN-UHFFFAOYSA-N 314.414 2.441 0 40 DEAB CC(C)CNC(=O)[C@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241436 MIBPSBHZYFONKA-GJZGRUSLSA-N 324.808 2.011 0 40 DEAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CO)n2)s1 72375449 DOOALFKKMLOWIX-LBPRGKRZSA-N 318.402 2.246 0 40 DEAB CCCc1c(C(=O)N2CCOC(C)(C)C2)[nH]c(C)c1C(=O)OC 79989072 WZUUMLMVZPMKJD-UHFFFAOYSA-N 322.405 2.313 0 40 DEAB CC(C)n1ncc2cc(NC(=O)N3CC[C@H](O)C3(C)C)cnc21 566536253 CYRMNPQEOHJPIF-ZDUSSCGKSA-N 317.393 2.389 0 40 DEAB CCOC(=O)c1cc(N)c(N2CCN(CC)CC2)c(Cl)c1 70462676 CMTBFISPKFPCCB-UHFFFAOYSA-N 311.813 2.241 0 40 DEAB C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CC[C@H]2CCCO2)C1=O 188960773 MFOVUQCDZRKJBE-BZNIZROVSA-N 324.327 2.301 0 40 DEAB Cc1ccccc1-n1ncc(C(=O)NCc2nnc[nH]2)c1C(C)C 190060631 FPDCHBSXALSSPE-UHFFFAOYSA-N 324.388 2.352 0 40 DEAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(OC)c2)C1 69593912 UIQIODANCLXTKV-AWEZNQCLSA-N 318.417 2.464 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc(Br)c(F)c2)C1 88082134 NEBVPCJFBKDEAG-LURJTMIESA-N 302.099 2.026 0 40 DEAB CN(C)c1nc(CNC(=O)N2CCSC(C)(C)C2)cs1 83657475 MCWYEXRKGGIBGQ-UHFFFAOYSA-N 314.480 2.246 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 223017847 VAPBPPVLYFEMRV-CABCVRRESA-N 316.430 2.039 0 40 DEAB O=S(=O)(Cc1ccncc1)c1nc(CCC2CCCC2)n[nH]1 195579504 UCZQZCWOTMLBKY-UHFFFAOYSA-N 320.418 2.296 0 40 DEAB COc1ccc(NC(=S)NCCN(C)C)c2cccnc12 225404778 VBCAWNSYWPMVMC-UHFFFAOYSA-N 304.419 2.091 0 40 DEAB Cc1cccc(C)c1OCCNC(=O)CNC(=O)C1CCCC1 40113768 TUWMZBBUTAAUNN-UHFFFAOYSA-N 318.417 2.105 0 40 DEAB COc1ccc(C[S@@](=O)Cc2nnc(C)n2C)cc1Cl 191212135 JWKRMGOLFWDOMK-HXUWFJFHSA-N 313.810 2.234 0 40 DEAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)COc2ccccc2)C1 69533125 GKGBTFLFMWEUDH-OAHLLOKOSA-N 318.417 2.076 0 40 DEAB Cc1nc(/C=C/C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cs1 69571362 YWEGCOKBCQLTAG-LFAOLKIESA-N 323.462 2.034 0 40 DEAB Cc1ccc(O[C@@H]2CCCN(C(=O)Cc3cccs3)C2)nn1 225460901 RZCWNXPHBZMOMW-CYBMUJFWSA-N 317.414 2.459 0 40 DEAB CCOC(=O)c1ccc(C)c(NC(=S)NCCN(C)C)c1 225404079 HVAQGZFHIKASQU-UHFFFAOYSA-N 309.435 2.020 0 40 DEAB CC[C@@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O)c1ccc(C)cc1 226548453 HHEWVUNZFLVXSN-LEOABGAYSA-N 315.369 2.217 0 40 DEAB C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1)C1CCCCC1 96440413 SFAPQEJSWGRBQB-HIFRSBDPSA-N 319.453 2.267 0 40 DEAB O=C(c1ccc(O)nn1)N1CC[C@@H](CSc2ccccc2)C1 96431833 KZYIVSABAPYQKO-GFCCVEGCSA-N 315.398 2.437 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)Nc1cccc(-c2nc[nH]n2)c1 95480433 WAVKWYADJBAFPC-UHFFFAOYSA-N 310.361 2.383 0 40 DEAB CN(C)C(=O)N1CCC2(CCN(Cc3ccccn3)CC2)CC1 96047210 NYBAAQLVZUVIPI-UHFFFAOYSA-N 316.449 2.441 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)N[C@H]2CCc3ccc(F)cc32)C1 95414384 RWKAFDNPJCOJHG-YOEHRIQHSA-N 320.364 2.408 0 40 DEAB O=C(O)[C@H](c1ccncc1)N1CCN(c2ccc(F)cc2)CC1 95869847 ZBXQZKWSMNNPGW-INIZCTEOSA-N 315.348 2.169 0 40 DEAB C[C@H]1CN(C(=O)N[C@H](C)[C@@H]2CCCN(C3CCC3)C2)C[C@@H](C)O1 97237431 UAVZMHGNYYLGHI-QKPAOTATSA-N 323.481 2.458 0 40 DEAB COc1ccccc1CN1Cc2ccnn2[C@H](CCN(C)C)C1 248142234 UMCAZAUJTNUHCD-QGZVFWFLSA-N 314.433 2.400 0 40 DEAB Cc1ccsc1CNC(=O)C1CCN(c2cnccn2)CC1 253598866 UYERWJMOWHFGOC-UHFFFAOYSA-N 316.430 2.379 0 40 DEAB O=C(C1CCOCC1)N1CC2(CO[C@H](Cc3ccccc3)C2)C1 257330055 XMPFCXALBXQOEJ-QGZVFWFLSA-N 315.413 2.273 0 40 DEAB Cc1cccc2nc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)N4)cn12 257310083 UDPXSNJJGZXEJW-AMVTXUCVSA-N 324.428 2.388 0 40 DEAB Cc1cccc(OC[C@@]2(O)CN(C3CCCC3)CC[C@@H]2O)c1 585282130 HLYBAWXPYZFYPR-ROUUACIJSA-N 305.418 2.114 0 40 DEAB CNC(=O)C[C@@H]1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21 585112655 SPUWZLUXYQTDCI-QGZVFWFLSA-N 312.417 2.193 0 40 DEAB Cn1cccc1C(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 68141593 HIURVOBOEKFNSM-MRXNPFEDSA-N 312.369 2.373 0 40 DEAB CN(Cc1noc(C2CC2)n1)C[C@@H]1COc2ccccc2O1 53603257 UVNROPAKNCHXTD-GFCCVEGCSA-N 301.346 2.219 0 40 DEAB C[C@@H]1C[C@H](N2CCN(C(=O)CCC3CCCCC3)CC2)C(=O)O1 77387395 FSCALDVHAIFVCQ-ZBFHGGJFSA-N 322.449 2.195 0 40 DEAB C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 95419608 MQBZUUKCAYIVPN-BDAKNGLRSA-N 307.337 2.189 0 40 DEAB CN(C)S(=O)(=O)[C@H](C(=O)Nc1ccccc1)c1ccccc1 5599742 AXCJSNBFFUPXKM-HNNXBMFYSA-N 318.398 2.258 0 40 DEAB Nc1nccnc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 11968936 HCMCNNGFWAVULO-UHFFFAOYSA-N 312.329 2.353 0 40 DEAB Cc1cccc(NC(=O)CN(C)CC(=O)NC2CCCC2)c1C 12777358 DJKOXMHVBNBTIX-UHFFFAOYSA-N 317.433 2.233 0 40 DEAB c1cnc(-c2cnc(N3CCOCC3)nc2-c2ccoc2)cn1 13268324 YWVFSBKGPGVWEA-UHFFFAOYSA-N 309.329 2.030 0 40 DEAB Cc1nn(CC(=O)NC2CCCCC2)c(=S)n1-n1cccc1 16807031 VNBXNRGYYAGCGL-UHFFFAOYSA-N 319.434 2.284 0 40 DEAB CNC(=O)/C(C#N)=C\c1cc(C)n(NC(=O)c2ccccc2)c1C 8334366 CYWARSAOQNGMNG-YBEGLDIGSA-N 322.368 2.142 0 40 DEAB COc1c2ccoc2c(C[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 13311190 CRAONLIHLOSKGE-GFCCVEGCSA-N 318.325 2.222 0 40 DEAB biogenic,in-vitro CCc1noc(C)c1C(=O)OCC(=O)Nc1ccc(Cl)cn1 5391292 AFCHFGKZRSVOEB-UHFFFAOYSA-N 323.736 2.389 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)CNc2ccccc2F)cc1 11549336 QYUFZMBLZLDHDC-UHFFFAOYSA-N 322.361 2.280 0 40 DEAB Cn1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)n1 11695549 NVAGJZCMUVGACS-UHFFFAOYSA-N 303.709 2.376 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)C(=O)NCCC1=CCCCC1 42381891 PCJBWBZBHGSDRU-CYBMUJFWSA-N 304.390 2.334 0 40 DEAB O=S(=O)(NC[C@@H](O)c1cccs1)c1ccccc1Cl 74559024 KZVMPSKTSNBUOW-SNVBAGLBSA-N 317.819 2.413 0 40 DEAB O=C(Nc1nc2c(s1)CCCC2)[C@H]1CC(=O)N(CC2CC2)C1 40073529 DCFMSBUGDAGNAR-NSHDSACASA-N 319.430 2.219 0 40 DEAB CCc1c(C(=O)Nc2ccccc2)cnn1-c1ccc(O)nn1 30662588 SNBTWRGVVLMNKF-UHFFFAOYSA-N 309.329 2.183 0 40 DEAB COc1ncccc1CNC(=O)c1[nH]c2c(c1C)C(=O)CCC2 31320179 UHDQBBLJVJQAAP-UHFFFAOYSA-N 313.357 2.176 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)Nc1ccc(Cl)cn1)CS2 40462297 YANGKEPFYQYRDF-TVQRCGJNSA-N 311.794 2.128 0 40 DEAB CNC(=O)Cc1ccccc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 40526994 RWQIDYQKQPWZIK-CHWSQXEVSA-N 303.406 2.485 0 40 DEAB Cc1ccc(OCCC(=O)NCC(=O)NC(C)(C)C)c(C)c1 32420828 IXCANVGUAWBOGN-UHFFFAOYSA-N 306.406 2.103 0 40 DEAB C[C@H]1COCCN1C(=O)C1CCN(c2ccc(Cl)cn2)CC1 32654678 CDTGZGNUAGOKHJ-LBPRGKRZSA-N 323.824 2.199 0 40 DEAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccccn3)CC2)n1 52429859 NLAVTTQSRDFSIY-UHFFFAOYSA-N 311.389 2.344 0 40 DEAB CCN1CCC[C@H]1CNC(=O)C1=NO[C@H](c2ccccc2)C1 52982760 HSQYCJAYAZFMLX-HOCLYGCPSA-N 301.390 2.105 0 40 DEAB COC(=O)N(C)CC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 41615621 CDKCIKDMGTVNJL-GVMDUPDNSA-N 308.422 2.406 0 40 DEAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1cccc[n+]1[O-] 53369679 VTIAVIUYMWOKTB-ZDUSSCGKSA-N 302.305 2.103 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H]1Cc2ccccc2O1 46875833 BZJPBNUFQCCMLK-AWEZNQCLSA-N 315.373 2.437 0 40 DEAB O=C(CN1C(=O)CN(c2ccccc2)C1=O)c1ccc(F)cc1 47170206 JVSANGHVTBHYOJ-UHFFFAOYSA-N 312.300 2.477 0 40 DEAB COc1cccc(C[S@@](=O)[C@H](C)C(=O)NC2CCCC2)c1 78556265 NENDVSHGSXHORB-GTJPDFRWSA-N 309.431 2.391 0 40 DEAB COC(=O)c1ccc[n+](CCc2ccc(OC)c(OC)c2)c1 1719780 KJKPAJFWCQBWJA-UHFFFAOYSA-N 302.350 2.021 0 40 DEAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1 78947678 WOJJQFZLHPCXRE-PBHICJAKSA-N 320.408 2.458 0 40 DEAB COc1ccc(C)cc1S(=O)(=O)NCCCOC(C)C 2140892 RPYGHZCRSACFHK-UHFFFAOYSA-N 301.408 2.097 0 40 DEAB COc1ccc(NC(=O)Cc2nc3ccsc3c(=O)[nH]2)cc1 53847768 DSNJOMDCURZGCP-UHFFFAOYSA-N 315.354 2.174 0 40 DEAB O=c1c2sccc2ncn1C[C@H](O)COc1ccc(F)cc1 22966418 YMGHMWSCXFRCLT-NSHDSACASA-N 320.345 2.037 0 40 DEAB O=C1CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CCN1 54259234 IUHSADLJDCVKDO-GOSISDBHSA-N 323.396 2.188 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCN(Cc2ccco2)CC1 97527656 XUWQSMUOBVZNHR-UHFFFAOYSA-N 301.346 2.103 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 8197592 HZVDQWDPKFPKPC-QWHCGFSZSA-N 312.435 2.064 0 40 DEAB CC(=O)c1c[nH]c(C(=O)OCC(=O)N(C)C2CCC(C)CC2)c1 8259234 WNZMZPJFWJMBSM-UHFFFAOYSA-N 320.389 2.411 0 40 DEAB CCOC(=O)c1cc2c(=O)ncn(Cc3ccccc3)c2nc1C 1405523 QDELLVRUEWQOAA-UHFFFAOYSA-N 323.352 2.325 0 40 DEAB CCCn1nc(C(=O)NCc2ccc(Cl)s2)ccc1=O 25520380 JLINUFUYVSXBJI-UHFFFAOYSA-N 311.794 2.298 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)Nc1ccc(N2CCCC2)c(F)c1 48138419 FDAARJVTBXXECO-NSHDSACASA-N 322.384 2.072 0 40 DEAB CCN1CCN(C[C@@H](O)COc2ccc(C(C)C)cc2)CC1 22590105 GCCMKYCLVSYMRI-QGZVFWFLSA-N 306.450 2.187 0 40 DEAB O=C(COCc1ccccc1)NCCn1cnc2ccccc21 58214463 DHOXIWPPAUNSPK-UHFFFAOYSA-N 309.369 2.369 0 40 DEAB O=C(O)CCN1CCO[C@@H](c2cccc(Br)c2)C1 116388854 QBFKQCFCGWKFJB-GFCCVEGCSA-N 314.179 2.297 0 40 DEAB CCNC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 45165375 BBQMWDCUMMHCIK-GNFNDJEDSA-N 304.434 2.330 0 40 DEAB O=C(O)[C@@]12CC=CC[C@@H]1[C@H](O)C[C@@]2(Cc1ccccc1)C(=O)O 25664984 KIORNFNPEAGWAZ-KJWYOANISA-N 316.353 2.102 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C3CC=CC[C@@]32CC1 101049074 IHPPELIXSQXGRM-CRAIPNDOSA-N 307.353 2.121 0 40 DEAB C[C@H](NC(=O)NCCN1CCOCC1)c1cc2ccccc2o1 45547026 XFWKSGDWSZXBCO-ZDUSSCGKSA-N 317.389 2.125 0 40 DEAB C[C@@H](CN1CCOCC1)NC(=O)Nc1nc2ccccc2s1 45954932 PQRAQOYWWYXXIC-NSHDSACASA-N 320.418 2.139 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)c2c(Cl)cnn2C)c1C 2777853 KRNBXOWQCXBQLB-UHFFFAOYSA-N 309.801 2.179 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1ccc(N2CCCC2)cc1 4372060 QUBSMYNKGLGIDA-CYBMUJFWSA-N 322.430 2.050 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H]2CCCCC2=O)c1C 4340556 AWBOSPQVEDVXBU-GFCCVEGCSA-N 307.346 2.477 0 40 DEAB NC(=O)CN(C(=O)/C=C/c1c(F)cccc1F)C1CCCC1 65491617 IGQRJGOHZSEJLQ-CMDGGOBGSA-N 308.328 2.235 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)nc2)C[C@H]1C 96007728 CEXUEYPZJJBHGG-RKDXNWHRSA-N 308.325 2.377 0 40 DEAB CN(C)C(=O)Cn1cc2c(n1)[C@H](NCc1ccccc1)CCC2 96002718 OZECMRNTMTWKBQ-MRXNPFEDSA-N 312.417 2.139 0 40 DEAB COCCN1CC[C@H](CNC(=O)C2(c3cccc(C)c3)CC2)C1 65586364 FIMDZJPMAWKILS-MRXNPFEDSA-N 316.445 2.111 0 40 DEAB Cc1cc(F)ccc1-n1ccc(NC(=O)N[C@@H](C)[C@@H](C)CO)n1 96010697 HMSPFAPLQIDIIV-RYUDHWBXSA-N 320.368 2.458 0 40 DEAB O=C(NC[C@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 65610476 RXEGXUDJHCMGIV-MSOLQXFVSA-N 314.429 2.158 0 40 DEAB CCn1c2ccccc2c2nnc(S[C@@H]3CCOC3=O)nc21 4509987 AZXUGLIASZWJPW-LLVKDONJSA-N 314.370 2.407 0 40 DEAB COc1ccccc1C(=O)Nc1cc2c(cc1C(=O)O)OCO2 6589163 GIFBEDLXUOGEJL-UHFFFAOYSA-N 315.281 2.374 0 40 DEAB Cc1c(C(=O)CN2C(=O)CSC2=O)c2ccccc2n1C 7462971 OBYPUEOXLAGJQT-UHFFFAOYSA-N 302.355 2.365 0 40 DEAB CC1(C)CCC[C@@H]1NC[C@H](O)CS(=O)(=O)c1cccs1 90770268 NDCXAYIESODPFQ-RYUDHWBXSA-N 317.476 2.051 0 40 DEAB Cc1cc(N2CCN(CC3CC3)CC2)nc(-c2ccccn2)n1 68668720 AFGKQULGXWNFNI-UHFFFAOYSA-N 309.417 2.379 0 40 DEAB Cc1cc(C)n(C[C@H]2CN(c3cnc4ccccc4n3)CCO2)n1 69349662 YUUXGQKKJDNNHL-OAHLLOKOSA-N 323.400 2.349 0 40 DEAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C)ccn1 69385380 KLHYDDYWCUTCMB-MRXNPFEDSA-N 309.369 2.302 0 40 DEAB CC(C)C[C@H](C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O 8313005 AMRRNQBJZSLMAK-OAHLLOKOSA-N 314.385 2.320 0 40 DEAB COC(=O)c1ccc(COC(=O)c2ccc(OC)nc2)cc1 8512395 MHRZZSMPKZXEGT-UHFFFAOYSA-N 301.298 2.234 0 40 DEAB O=C(NCc1ccnc(-n2cccn2)c1)c1ccc2[nH]ncc2c1 69739809 RBIPWFGWATZFPN-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB COC(=O)[C@H](c1cc(F)ccc1F)N(C)C(=O)c1ccccn1 69818870 UVJAYLQNZGEIFV-AWEZNQCLSA-N 320.295 2.346 0 40 DEAB CCn1ccnc1CN1CCC[C@@H](Cn2nc(C)nc2C)C1 69818194 JROZFJLFZOOYIK-OAHLLOKOSA-N 302.426 2.024 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2csc(-c3cnn(C)c3)n2)C1 71825644 ZDFDLFAVTWQDTG-LBPRGKRZSA-N 320.418 2.185 0 40 DEAB c1ccc(Cc2nnc(CN3CCc4cncnc4C3)o2)cc1 71859671 HBALZZVSHDKHPK-UHFFFAOYSA-N 307.357 2.009 0 40 DEAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccccc2F)no1 71846920 WBNFYXUNQYSCCR-CWKPULSASA-N 310.350 2.398 0 40 DEAB O=C(c1cncc(Br)c1)N1CCN2CCCC[C@@H]2C1 71839980 CQYLRVNCBWVGCP-CYBMUJFWSA-N 324.222 2.154 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCN(Cc2cscn2)CC1 71836504 QWTODRHFPIBCMA-UONOGXRCSA-N 317.414 2.184 0 40 DEAB c1csc([C@@H](CNCc2ccncc2)N2CCOCC2)c1 72276790 HBKXZIDCIVIFNL-OAHLLOKOSA-N 303.431 2.306 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)c3ccc(F)cc3F)c12 72286152 UADBZTHHHYQPNG-UHFFFAOYSA-N 305.288 2.389 0 40 DEAB CC(C)n1cnc([C@@H]2CN(C)C[C@]23CCN(CC2CC2)C3=O)c1 306142146 WRFXBDXVSCABTR-MAUKXSAKSA-N 316.449 2.122 0 40 DEAB CNC(=O)c1cccc(COc2ccccc2-c2nc[nH]n2)c1 95437211 DLFJDXZLPHULLI-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB C[C@H]1CCc2ccccc2N1CCC(=O)N[C@@H]1C=C[C@H](CO)C1 95976836 UGLJQVOZQUDZDZ-YQQAZPJKSA-N 314.429 2.271 0 40 DEAB Cc1cccc(C(=O)N[C@H](C)C(=O)Nc2cnc(C3CC3)nc2)c1 95980387 MDMZMJCDCDOKHI-GFCCVEGCSA-N 324.384 2.419 0 40 DEAB Cc1cc(OC[C@H](O)COc2cccc3[nH]ccc23)nnc1C 89600917 VCASRIURIVSVOQ-CYBMUJFWSA-N 313.357 2.393 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)OCCc2cccc(Cl)c2)C1 78986230 BZRVPLJQCIHHTE-LBPRGKRZSA-N 310.781 2.216 0 40 DEAB COc1cc(NC(=O)Cc2ccc(Br)cc2)ncn1 75166439 QYJRUSBPQKGXNN-UHFFFAOYSA-N 322.162 2.429 0 40 DEAB CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 78769518 OTDUXCJDBQDGML-ZENOOKHLSA-N 310.463 2.478 0 40 DEAB CCOc1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)C2)ncn1 79439045 VCVKWLMGLDFONV-NSHDSACASA-N 309.366 2.264 0 40 DEAB C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)C2CC2)CC1 173161478 BDEAYJQQZBGTQI-CYBMUJFWSA-N 308.447 2.294 0 40 DEAB N[C@@H](Cc1c[nH]cn1)c1nc2cc(Br)ccc2[nH]1 37441197 FFWOIROWJNNAJP-VIFPVBQESA-N 306.167 2.291 0 40 DEAB CC(C)c1ccc(NC(=O)C(=O)NC[C@H](O)C(C)(C)C)cc1 79029038 DZUQZAJRDYALEX-AWEZNQCLSA-N 306.406 2.272 0 40 DEAB CCCS(=O)(=O)CC(=O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 76390439 ORNXPXVTTQMKLH-CHWSQXEVSA-N 315.822 2.137 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@](C)(CO)c2ccccc2)cc1 72406700 YSBSNNGWEDFTFU-MRXNPFEDSA-N 305.399 2.181 0 40 DEAB CCOC(=O)[C@@H](O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 34303836 XOGCYMFNVKHELE-OLZOCXBDSA-N 309.362 2.176 0 40 DEAB O=c1ccc(-c2ccccc2)nn1Cc1nnsc1Cl 78403834 MDHIEVVMEXQBTL-UHFFFAOYSA-N 304.762 2.464 0 40 DEAB O=C([C@H]1COCCO1)N1CCc2cc(Cl)cc(Cl)c2C1 84209188 MIDWSBLIJXMLTP-CYBMUJFWSA-N 316.184 2.294 0 40 DEAB CN(C(=O)NCCS(=O)(=O)CC1CCC1)C1CCCCC1 96500885 MQXZYRHNCWBIKD-UHFFFAOYSA-N 316.467 2.175 0 40 DEAB c1csc(N[C@@H]2CO[C@]3(CCCN(C4CCOCC4)C3)C2)n1 96223364 AIZWZCWIFNPLHE-XJKSGUPXSA-N 323.462 2.358 0 40 DEAB COC[C@@H]1CCC2(CCN(c3ncccn3)CC2)N1CC1CC1 96208213 QXRCFYGJCYOCCF-INIZCTEOSA-N 316.449 2.336 0 40 DEAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3Cc2cccs2)cn1 96186477 DDXDDGVQJIVCGL-HUUCEWRRSA-N 316.430 2.252 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2ccsc2)[C@@H]1c1cccnc1 96421734 MJFPFLIEEDCGIX-JSGCOSHPSA-N 301.371 2.301 0 40 DEAB CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 96996985 CWRMWGNMCCWIQO-UHFFFAOYSA-N 318.114 2.376 0 40 DEAB COC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1cccs1)C2 96039062 JSYHVOMKDKNAHI-HOCLYGCPSA-N 309.431 2.335 0 40 DEAB Cc1nnsc1-c1nnc2sc(-c3ccncc3)nn12 95479760 WWZFNYNIPGIRDW-UHFFFAOYSA-N 301.360 2.075 0 40 DEAB Fc1ccc(CN2CCn3cc(Cn4cccn4)nc3C2)cc1 96059434 PFISXCFEDPPTCJ-UHFFFAOYSA-N 311.364 2.283 0 40 DEAB COC[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)Cc1ccc(F)cc1 96250393 AZNHRNQINFWGIR-CWRNSKLLSA-N 307.365 2.021 0 40 DEAB CCOCC(=O)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109238 XBEMPDQTFWJXQU-PBHICJAKSA-N 304.390 2.126 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1ccc(N2CCCC2)nc1 96449511 ASVRQSXTBUQZEJ-WMZOPIPTSA-N 323.396 2.070 0 40 DEAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCCCNC1=O 246394567 QALSPBLROFQMFM-FRRDWIJNSA-N 313.467 2.019 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1 245305055 HWXXEQYWRFCYFF-SOUVJXGZSA-N 324.808 2.253 0 40 DEAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3c[nH]nc3C)CCO2)n1 257258186 KSSOYYJNYHBMAA-KRWDZBQOSA-N 315.421 2.061 0 40 DEAB CCOC[C@H]1CN(CCOCc2ccccc2)Cc2ccnn21 253384522 PDDLKNJXTPVGOE-GOSISDBHSA-N 315.417 2.493 0 40 DEAB Cc1nc(CC(=O)N2CCC[C@@H](c3ccncn3)C2)cs1 257255886 KJHSHAPRCCHMGS-GFCCVEGCSA-N 302.403 2.190 0 40 DEAB Cc1cc(C)nc([C@@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257258292 KTEYAYHXRZFORF-AWEZNQCLSA-N 312.373 2.011 0 40 DEAB CC(=O)N1CCC[C@@]2(C)[C@H]1CCCN2C(=O)c1scnc1C 257219551 DHFOZPBNPJUPCB-CJNGLKHVSA-N 321.446 2.457 0 40 DEAB CCc1noc(CCC(=O)N2CCCC[C@@H]2c2ccn[nH]2)n1 257329636 XKUUMWIHOHJCCM-GFCCVEGCSA-N 303.366 2.042 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)Cc2ccc(F)cc2C)[C@H]1O 257259402 KYEQGEAPPLCALK-BFYDXBDKSA-N 309.381 2.063 0 40 DEAB Cc1cc(NS(=O)(=O)c2ccc(OC(C)C)nc2)cnc1O 585141007 NLRCQCCWCUYBSO-UHFFFAOYSA-N 323.374 2.079 0 40 DEAB O[C@@]1(COc2cccc(F)c2)COCCN(C2CCCC2)C1 585269329 PHJMBSQVGSMRCG-QGZVFWFLSA-N 309.381 2.210 0 40 DEAB CCc1nn2c(=O)cc(CN(C)Cc3ccccc3)nc2s1 15731837 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Cc1cc(C)cc(C(=O)N2CCC[C@]3(CCNC3=O)CC2)c1 1615065941 ZNDAFQIDLHLROP-SFHVURJKSA-N 300.402 2.436 0 40 DEAB CCCCN(C)CCNC(=O)C(=O)c1c[nH]c2ccccc12 4163339 KTWWDESBBFOOIF-UHFFFAOYSA-N 301.390 2.199 0 40 DEAB CC(C)NC(=O)c1nc2c(o1)CN(C(=O)[C@H]1CC[C@H](C)CC1)C2 2055732388 GJVXXSSIMYMYCB-HAQNSBGRSA-N 319.405 2.481 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N1CC(Nc2ccncn2)C1 585149021 QQUOYPDCHHVGAO-UHFFFAOYSA-N 320.755 2.135 0 40 DEAB CCc1nnc(NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)s1 40088062 KEIVQNSICOMKTH-LLVKDONJSA-N 320.349 2.371 0 40 DEAB Cc1nc2c(cc1C(=O)NCCOc1ccccc1)c(C)nn2C 30477157 YJUHIRIISZTTCW-UHFFFAOYSA-N 324.384 2.394 0 40 DEAB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc2ccccc2n1 40490436 QARBZPMLUMXLFT-UHFFFAOYSA-N 323.396 2.366 0 40 DEAB COc1ccc([C@H](CNC(=O)c2scnc2C)N(C)C)cc1 40533880 NOYXSMWZWVWUIQ-AWEZNQCLSA-N 319.430 2.493 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cccc(OC)c1 32911419 JJMOVJXAACDOHL-AWEZNQCLSA-N 304.346 2.228 0 40 DEAB C[C@H](NC(=O)CCCNC(=O)C1CC1)c1ccc(F)c(F)c1 32914108 BMXVYHBYXRLACL-JTQLQIEISA-N 310.344 2.448 0 40 DEAB CN(Cc1ccsc1)C(=O)CNC(=O)c1ccc(F)cc1 21935876 YSRYDWONDGXLHF-UHFFFAOYSA-N 306.362 2.276 0 40 DEAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ncccc1O 22264464 ZCNZTCLGXBUCEJ-UHFFFAOYSA-N 321.336 2.309 0 40 DEAB c1cn(-c2ccc(CN3CCn4c(nnc4C4CC4)C3)cc2)cn1 84402937 AYBQMCDCQJAAML-UHFFFAOYSA-N 320.400 2.357 0 40 DEAB C[C@@H](C(=O)NC1CCN(C(N)=O)CC1)c1cccc(Cl)c1 78878232 OXUUWLLJWPTSDB-SNVBAGLBSA-N 309.797 2.103 0 40 DEAB Cc1cc(C)nc(NCCC(=O)N2CCc3ccccc3C2)n1 79488987 ZKKNOAPDPLXTNP-UHFFFAOYSA-N 310.401 2.480 0 40 DEAB CN(C)CCOC(=O)[C@@](O)(Cc1ccccc1)c1ccccc1 1853105 YPVKSOYSHKHDNW-LJQANCHMSA-N 313.397 2.222 0 40 DEAB Cc1sc2ncn(CC(=O)N3CCCCCC3)c(=O)c2c1C 1961332 SGOZDGQBFKFKKU-UHFFFAOYSA-N 319.430 2.477 0 40 DEAB CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)s1 22746682 PWBWRHYUVKCFGW-NSHDSACASA-N 317.370 2.211 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)C1 104272691 POYXHSMAJMRXOA-XUXIUFHCSA-N 310.463 2.325 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 4809548 MCWVISRVZDGKFF-LNSITVRQSA-N 322.430 2.367 0 40 DEAB O=C(Cc1ccc(N2CCCC2=O)cc1)NCc1ccccn1 12533996 BEDPHYBCETVLMX-UHFFFAOYSA-N 309.369 2.067 0 40 DEAB CCc1nnsc1C(=O)NC[C@H](c1ccsc1)N(C)C 25332179 RTTYDWMTTCFTBG-LLVKDONJSA-N 310.448 2.195 0 40 DEAB COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1 3228177 QYQQQJYXLDPSBO-BQYQJAHWSA-N 315.325 2.161 0 40 DEAB Oc1cc(-c2cc(C3CC3)n[nH]2)nc(NCc2ccccn2)n1 100222357 NSFCRLHQHCBXCI-UHFFFAOYSA-N 308.345 2.457 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(OC)cc2)c1C 28577317 VOIVHZYOMIMOAT-UHFFFAOYSA-N 309.391 2.329 0 40 DEAB CC(=O)NCc1ccc(-c2csc(-c3cnccn3)n2)o1 58161246 SCAMPBXCMCVRNV-UHFFFAOYSA-N 300.343 2.496 0 40 DEAB C[C@H](CC(=O)Nc1nc(CC(N)=O)cs1)c1ccccc1 44889199 QONFVROUPHWRBQ-SNVBAGLBSA-N 303.387 2.303 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N[C@H]2CCC[C@H]2CO)cn1 95412088 SXFNSGDUHMBXBH-AAEUAGOBSA-N 312.435 2.227 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(N)s2)c1 3347727 SRSPZEDDGVPDCX-QMMMGPOBSA-N 322.415 2.442 0 40 DEAB CCCn1c(SCC(=O)NCC)nc2ccccc2c1=O 3319230 JIPSIDZLKUEMCC-UHFFFAOYSA-N 305.403 2.035 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1ccc2c(c1)OCCCO2 46070301 JJUZCBMEBZSXBO-TZMCWYRMSA-N 320.389 2.075 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(c2ncnc3ccsc23)C1 29588495 GSQJFKYQKOWKJS-SNVBAGLBSA-N 300.391 2.204 0 40 DEAB O=C1CSc2ccc(C(=O)NCCc3cccnc3)cc2N1 29651827 HTGYCVUJYOGHOS-UHFFFAOYSA-N 313.382 2.098 0 40 DEAB COc1ccc(NC(=O)c2nnc(CN3CCCC3)s2)cc1 12975256 FYXSZEYLEANDQN-UHFFFAOYSA-N 318.402 2.395 0 40 DEAB CC1(C)NC(=O)N(CNc2ccc(Br)cc2)C1=O 4121851 BXPNOVWFROWKTC-UHFFFAOYSA-N 312.167 2.149 0 40 DEAB COc1cccc(C(=O)Oc2cc(=O)n3cccc(C)c3n2)c1 72427433 LZQAKEGXFXVVDA-UHFFFAOYSA-N 310.309 2.231 0 40 DEAB CCC[C@H](C)NC(=O)CSc1nnc2nc(C)cc(C)n12 5213397 BZTQGSQSOHYCJW-VIFPVBQESA-N 307.423 2.138 0 40 DEAB CC(C)c1ccc(NC(=O)CN2CCCC[C@@H]2C(N)=O)cc1 14183251 CUSHOPFRMHQYNB-OAHLLOKOSA-N 303.406 2.088 0 40 DEAB Cc1ccc2c(c1)C(=O)C(=O)N2C[C@H]1COc2ccccc2O1 6661477 RRMJKCUNUBXHLO-LBPRGKRZSA-N 309.321 2.364 0 40 DEAB CN(C)C(=O)CN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 66851238 WZFHJZAZXOOJNZ-ZDUSSCGKSA-N 317.216 2.455 0 40 DEAB O=C1CN(C(=O)N[C@H](c2cccs2)C2CCCC2)CCN1 80011854 PWTZRMKNFICBGX-AWEZNQCLSA-N 307.419 2.121 0 40 DEAB CCCc1nc(C)cc(N2CC[C@]3(CCCN(C)C3=O)C2)n1 67674142 SIKXGIJIRPYYPA-QGZVFWFLSA-N 302.422 2.186 0 40 DEAB O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(O)nn1 29088412 QVCXGCIXAUEGPM-UHFFFAOYSA-N 305.363 2.334 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)N[C@@H](CCO)C1CC1 96421940 VUGXSKOWCLUMOK-HNNXBMFYSA-N 314.389 2.463 0 40 DEAB CCOc1ccccc1CCC(=O)N1CC[C@](C)(C(=O)O)C1 95947205 IZUAZZACHNDCBI-KRWDZBQOSA-N 305.374 2.341 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@H]2CCCCc3ccccc32)CC1 70014324 OJBYSPCYNMNWBH-INIZCTEOSA-N 315.417 2.361 0 40 DEAB C[C@H]1CN(Cc2coc(-c3ccccc3)n2)CCN1C[C@@H](C)O 71864372 FXGBWBNRDVKSNR-LSDHHAIUSA-N 315.417 2.229 0 40 DEAB CC1(C)NC(=O)N(Cc2cccc(OCC(F)(F)F)c2)C1=O 71819403 NRGZWXSWUHOVIB-UHFFFAOYSA-N 316.279 2.458 0 40 DEAB Cc1cc(C)n(C2CN(Cc3nccn3CC(F)(F)F)C2)n1 71880701 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CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(OC)c1)C(=O)O 95969880 QIBSCBHHGBNZGW-HJPIBITLSA-N 305.374 2.414 0 40 DEAB CC(C)(NCc1cnc2cnccn12)c1ccc2c(c1)OCO2 75093178 NPIVONIOKOSYBS-UHFFFAOYSA-N 310.357 2.483 0 40 DEAB C[C@H](CNC(=O)c1cc[nH]n1)Oc1ccccc1Br 75093951 HMXSADLMKHCGAQ-SECBINFHSA-N 324.178 2.370 0 40 DEAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)Cc1noc2ccccc12 75093467 ZOZBWKLWFPGIBZ-GDBMZVCRSA-N 320.414 2.133 0 40 DEAB CC1=C(C)C(=O)N[C@@H](Nc2nc(C)c3cc(C)cc(C)c3n2)N1 25329942 HDVOUWFMXBPLKM-KRWDZBQOSA-N 311.389 2.264 0 40 DEAB CC(C)NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 113941209 KVDSGJSYJAWURW-SNVBAGLBSA-N 318.826 2.019 0 40 DEAB COc1nn(C)cc1C(=O)NCc1cc(-c2cccs2)on1 36662401 RZEJVRXDWADPBG-UHFFFAOYSA-N 318.358 2.075 0 40 DEAB CCc1nc(O)c2c(n1)CCN(Cc1csc(C)n1)CC2 306129391 IBTJXASXEYVWQJ-UHFFFAOYSA-N 304.419 2.110 0 40 DEAB CC(C)c1ccc2[nH]c3nc(SCC(N)=O)nnc3c2c1 35289020 DNVIBXLDWYDCDH-UHFFFAOYSA-N 301.375 2.207 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)Nc1ncc(C)s1)O2 41548276 BFJGIBGCGCECDO-HNNXBMFYSA-N 317.370 2.488 0 40 DEAB c1ccc2oc(N3CCN(C[C@@H]4CCCOC4)CC3)nc2c1 336858395 YSRMSBQEYOXKTR-AWEZNQCLSA-N 301.390 2.376 0 40 DEAB Cn1ccnc1[C@H](O)C1CCN(CCc2cccs2)CC1 89925601 NAGDUHPLMHNIBL-OAHLLOKOSA-N 305.447 2.470 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225686125 XEXRKMOTKJOYHZ-VIFPVBQESA-N 314.432 2.160 0 40 DEAB O=C(Cc1cccc(C(F)(F)F)n1)N[C@]12CCC[C@@H]1NCC2 1580570751 AUNLPOSDCYGZOV-FZMZJTMJSA-N 313.323 2.044 0 40 DEAB O=C(NCc1cccc2c1CCNC2)c1nc2cnccc2s1 1580720467 YJLJTSULQQUMRH-UHFFFAOYSA-N 324.409 2.267 0 40 DEAB CCOc1ccc(Cn2cc(Br)ccc2=O)nc1 83595591 RCLSASXJUOAKCS-UHFFFAOYSA-N 309.163 2.453 0 40 DEAB CCO[C@H](C)c1noc(CS(=O)(=O)c2ccoc2C)n1 191090287 WGHLLFAFXVRZLY-SECBINFHSA-N 300.336 2.042 0 40 DEAB Cc1ncc(CNC(=O)C(=O)Nc2ccc(F)cc2C)s1 96413550 FNBSHXNAECUWKU-UHFFFAOYSA-N 307.350 2.154 0 40 DEAB CC1(C)[C@H](NC(=O)NCCCOCc2ccco2)[C@H]2CCO[C@H]21 230096083 DXWXUUNQMUMNBY-RBSFLKMASA-N 322.405 2.299 0 40 DEAB O=C(NC[C@H]1Cn2c(-c3ccc(F)cc3)cnc2CO1)C1CC1 96296331 JHGPILOHXKGEKB-AWEZNQCLSA-N 315.348 2.114 0 40 DEAB biogenic,in-vitro C[C@@H]1CN(Cc2nnn(CC(F)(F)F)n2)c2ccccc2O1 579311262 RRKHSBYGAJIOGW-SECBINFHSA-N 313.283 2.023 0 40 DEAB Cc1cc(C(=O)N2CCO[C@@]3(CCC[C@@H]3COC(C)C)C2)no1 96160072 CJCOVLPXDOOSFX-PBHICJAKSA-N 322.405 2.419 0 40 DEAB Cc1occc1C(=O)NC[C@H]1OCCc2cn(CC3CC3)nc21 96044356 WIZFULPWNBIJMD-OAHLLOKOSA-N 315.373 2.238 0 40 DEAB CN(C)C(=O)[C@@H]1C[C@@]2(CCCN(Cc3cccs3)C2)CO1 96048880 OZCJGGOLIJLVBT-GOEBONIOSA-N 308.447 2.207 0 40 DEAB O=C([C@H]1CCCO1)N1CCc2c(COCC3CC3)cncc2C1 96189417 HJQUPHSZAWCPSA-QGZVFWFLSA-N 316.401 2.072 0 40 DEAB CO[C@@H](CNC(=O)N[C@H](C)c1nc[nH]n1)c1ccccc1Cl 97234339 IVLKTIQGIPHIFV-SKDRFNHKSA-N 323.784 2.206 0 40 DEAB Cc1cc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)nn1C 97103631 ACQSKYRVKGENEV-AWEZNQCLSA-N 305.426 2.068 0 40 DEAB CN1CC[C@H](NC(=O)C2(O)CCCC2)[C@H]1c1ccc(F)c(F)c1 245281194 ACYVAEANKNRKDH-LSDHHAIUSA-N 324.371 2.131 0 40 DEAB Cc1nn(C)c(C)c1CN1CCCC[C@]2(C)NC(=O)CC[C@H]12 257343246 ZSCHUAMOWFOSBQ-RDJZCZTQSA-N 304.438 2.060 0 40 DEAB CNc1cccc([C@H]2CN(Cc3ncccc3F)CCO2)n1 257215582 CQSSISNSDCEQDH-OAHLLOKOSA-N 302.353 2.231 0 40 DEAB CO[C@H]1CN(CC2=Cc3ccccc3OC2)C[C@@]12CCCO2 257258661 KUZQFBJOCLMIII-ROUUACIJSA-N 301.386 2.342 0 40 DEAB COc1ccc([C@H]2CCN(c3ncnc4c3ncn4C)C2)cc1 624505185 SKPBSFNVMNHMDK-ZDUSSCGKSA-N 309.373 2.366 0 40 DEAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2ccsc2)C1 257228949 FVYYFAWOHKFXLG-LLVKDONJSA-N 302.403 2.215 0 40 DEAB COc1ccc([C@H]2CN(Cc3cnc(C)nc3)CCN2C)cc1 257278451 OCIOEBJQGCYQDC-GOSISDBHSA-N 312.417 2.282 0 40 DEAB O=S(=O)(c1cccc(F)c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257291011 QFFUUSPAFUIZCG-GFCCVEGCSA-N 323.393 2.192 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)NCC[C@@H](O)c1ccoc1 90613090 RBASUBZJDIQKCX-KUCQQTCKSA-N 307.371 2.293 0 40 DEAB O=C(CCSc1ccccc1)N[C@@H]1CCn2nccc2C1 390829542 FDKLUFUUWSAHRL-CYBMUJFWSA-N 301.415 2.497 0 40 DEAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCN2CCCC2)[C@H]1O 585289944 XZSPODNQAYSPCW-QXAKKESOSA-N 318.461 2.341 0 40 DEAB COc1ccccc1CCNC[C@H]1CNc2cc(C)nn2C1 65625516 GUVLCXCGRNFHSR-AWEZNQCLSA-N 300.406 2.074 0 40 DEAB CCOc1ccc(CC(=O)Nc2c[nH]nc2[C@@H]2CCNC2)cc1 1549747106 RHKHDTRKZPBZDC-CYBMUJFWSA-N 314.389 2.067 0 40 DEAB CC[C@@H](C)NC(=O)CCNC(=O)N[C@@H]1CCOc2ccccc21 56794008 DEHLHAXTKPKMPJ-TZMCWYRMSA-N 319.405 2.114 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(C)c1 102393033 MQKVIUPDYTWHTI-OKILXGFUSA-N 312.369 2.193 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(Cc3cnc(C)s3)CCO2)n1 76049485 HJIGDJLRZVTMIM-LBPRGKRZSA-N 307.423 2.096 0 40 DEAB Cc1noc(C)c1CNC(=O)Nc1nc2ccc(Cl)cn2n1 97136319 CXCLCGAIUJONOW-UHFFFAOYSA-N 320.740 2.309 0 40 DEAB Cc1cc(-c2nn[nH]n2)cc(C)c1CN1CCOCC12CCC2 1591847290 UEPWYKLWQNROLO-UHFFFAOYSA-N 313.405 2.238 0 40 DEAB CC(C)c1ccc(/C=C/CC(=O)N[C@H]2CCN(C(N)=O)C2)cc1 95450406 WUHSHEBLZJAONX-CWDCEQMOSA-N 315.417 2.483 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NCC(=O)NC(C)(C)C 88676993 GAZOWKBLCQQIGJ-HOCLYGCPSA-N 303.450 2.011 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 18149437 WJLMGTGPWFANIN-GHMZBOCLSA-N 312.797 2.138 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1cc(F)cc(Br)c1 169205883 YEGMEWWFCQQOSG-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB Cc1nc(COc2cccc(C(=O)O[C@H](C)C(N)=O)c2)cs1 17737394 USTJHFRPESERMF-SECBINFHSA-N 320.370 2.061 0 40 DEAB O=C1C[C@@H](NCCc2cccs2)C(=O)N1c1ccc(F)cc1 20479815 FSNYZAJDMAPNFT-CQSZACIVSA-N 318.373 2.351 0 40 DEAB Cc1ccccc1CN1CCC(N(C)S(=O)(=O)C2CC2)CC1 2087144454 GQPMXXQJNPBLNV-UHFFFAOYSA-N 322.474 2.383 0 40 DEAB Cc1csc2ncc(C(=O)N3CCc4ccccc43)c(=O)n12 4121124 PVRCUZLDHWMKOT-UHFFFAOYSA-N 311.366 2.267 0 40 DEAB Cc1ccc([C@@H](CNc2ncnc3c2ncn3C)N(C)C)cc1 624504225 GQQLZESSWNOVKF-CQSZACIVSA-N 310.405 2.387 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)NC3)C2)cc1 50767927 OCYPWEHCBSCKJK-DLBZAZTESA-N 314.429 2.302 0 40 DEAB CNc1snc(C)c1C(=O)N1CCN(Cc2ccco2)CC1 40497890 CNUQREGOGNOJMC-UHFFFAOYSA-N 320.418 2.044 0 40 DEAB Cc1ccc(N2C[C@@H](C(=O)OCc3cc(C)no3)CC2=O)cc1 32391624 RMKOSXWPLGRTRI-ZDUSSCGKSA-N 314.341 2.388 0 40 DEAB Cc1ccc(OC(F)F)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1 103155295 OCXKRFIXCDPEGI-FDYHWXHSSA-N 323.295 2.263 0 40 DEAB S=C(NCc1ccco1)N1CCN(c2ccccc2)CC1 414924 NJRVHHHXBZUXPO-UHFFFAOYSA-N 301.415 2.476 0 40 DEAB CCc1ncn(C)c1NC(=O)Cc1cnn(-c2ccccc2)c1 78870131 JTSRHZNQQIGGCO-UHFFFAOYSA-N 309.373 2.349 0 40 DEAB Cc1ccc(N(CCO)CCO)cc1NC(=O)c1ccccc1 1701556 VIHOFFRDPIFSGX-UHFFFAOYSA-N 314.385 2.038 0 40 DEAB COc1ccc(C(=O)CCN[C@@H](CCSC)C(=O)O)cc1 2922234 CSUZLVGOKVSCKH-ZDUSSCGKSA-N 311.403 2.064 0 40 DEAB Cc1ccc(NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)cc1 7127523 ZNZPVSDZBXUGLF-UHFFFAOYSA-N 323.352 2.027 0 40 DEAB O=C(NCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2F)C1 7399817 IWDGDLIVJUILCO-AWEZNQCLSA-N 312.344 2.495 0 40 DEAB C/N=c1/ss/c(=N/C(=S)N(C)C)n1C1CCCCC1 104276952 ZNSGYXMNCUWTSE-PHEQNACWSA-N 316.521 2.394 0 40 DEAB C[C@H](C(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2n1 47939758 RLHRFBKDHXZVKB-GFCCVEGCSA-N 318.398 2.019 0 40 DEAB Cc1ccc(CNC(=O)CNC(=O)c2cccc(Cl)c2)n1C 23575510 PJRYAQKJWXSNMA-UHFFFAOYSA-N 319.792 2.033 0 40 DEAB Cc1noc(C)c1CNc1cccc(C(=O)N2CCOCC2)c1 55861669 QTAUHNRZYSVSPP-UHFFFAOYSA-N 315.373 2.376 0 40 DEAB Cc1ccc(NCc2nc(CC(C)C)no2)cc1-n1cnnn1 55836817 UKGCGJHIDJVYST-UHFFFAOYSA-N 313.365 2.164 0 40 DEAB CCn1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)cn1 43645839 HEMYNDCNSQSUJU-GFCCVEGCSA-N 307.423 2.389 0 40 DEAB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C 25978736 PTLGVSSUACENGQ-OAHLLOKOSA-N 302.374 2.414 0 40 DEAB COc1cc(C(=O)OCC(=O)c2ccc[nH]2)cc2c1O[C@H](C)C2 12686787 OJWPOBCGDPFHQN-SNVBAGLBSA-N 315.325 2.386 0 40 DEAB C[C@@H](NC(=O)/C=C/c1cnn(C)c1)c1ccc2c(c1)OCCO2 44868265 ZNFNOPCEZBGDFQ-MJRJWQSSSA-N 313.357 2.082 0 40 DEAB COc1ccc(CCC(=O)N2CCOCC2(C)C)cc1OC 58283505 GKTMJSWOKHBZHE-UHFFFAOYSA-N 307.390 2.274 0 40 DEAB Cc1cncc(C(=O)N2C[C@H]3CC[C@H]2[C@H]3Oc2ccccn2)c1 107266110 DROFPSIOERQSQE-KMFMINBZSA-N 309.369 2.467 0 40 DEAB COCCOc1ncccc1CNC(=O)N1CCCCCC1 44970343 IGKMPCVJJKJCED-UHFFFAOYSA-N 307.394 2.192 0 40 DEAB CCC(=O)/N=c1\sc2cc(NC(C)=O)ccc2n1CCOC 100873108 WIXIFPGIWQJXRE-ICFOKQHNSA-N 321.402 2.145 0 40 DEAB CC(=O)NCC1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 48357031 RFRUDBOMWCICEY-UHFFFAOYSA-N 318.392 2.232 0 40 DEAB O=C(CCNC(=O)c1ccccc1Cl)NCc1cccnc1 10052341 GNVNIBLKAVVPRH-UHFFFAOYSA-N 317.776 2.171 0 40 DEAB C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCO2 10890239 ZLGNFCUUDFQSMX-JGVFFNPUSA-N 311.721 2.206 0 40 DEAB Cc1ccc(N2CCC[C@H](N(C)c3ncnc4c3CCC4)C2)nn1 72276309 HALXHPVAMPSPGK-AWEZNQCLSA-N 324.432 2.169 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N[C@H]1CCc2nccn2C1 97197481 JEYDZMAFURWRIY-HNNXBMFYSA-N 308.385 2.277 0 40 DEAB N[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 37116477 AQBFFFDZNHZELE-QMMMGPOBSA-N 309.218 2.105 0 40 DEAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(C(N)=O)cc1 12999261 VEHBORBQHMXYCI-SJCJKPOMSA-N 323.396 2.390 0 40 DEAB CCOC(=O)c1sc(CC(=O)NCc2ccco2)nc1C 12909611 OSWWWQTWYVIHPM-UHFFFAOYSA-N 308.359 2.080 0 40 DEAB Cc1cc(N2CCCC2)nc2sc3c(NN)ncnc3c12 71279221 ZDZRHFXOIVQGEZ-UHFFFAOYSA-N 300.391 2.434 0 40 DEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1cc2cc(Cl)ccc2o1 9183686 CTXIWIDSJIAYAW-SNVBAGLBSA-N 313.762 2.003 0 40 DEAB CCN1C(=O)N/C(=C/c2cccc(OC)c2OC(C)C)C1=O 4472468 SEJVNVJZGASMLX-FMIVXFBMSA-N 304.346 2.395 0 40 DEAB CCNC(=O)c1cccc(NC(=O)CN(CC2CC2)C2CC2)c1 65530101 CSMVFURPWXUIEK-UHFFFAOYSA-N 315.417 2.249 0 40 DEAB O=C(Nc1ccc(F)cc1F)c1cnc2sccn2c1=O 6480336 GSPCSPNBNBWAJQ-UHFFFAOYSA-N 307.281 2.287 0 40 DEAB Cc1nc(S[C@@H](C)C(=O)NC(N)=O)c2c(C)c(C)sc2n1 5429001 VDUAHBHNLGNUNK-ZETCQYMHSA-N 324.431 2.292 0 40 DEAB CC(C)CN1C(=O)S[C@H](Nc2ccccc2C(=O)O)C1=O 9338866 KNTHXZOCOUNOJK-NSHDSACASA-N 308.359 2.474 0 40 DEAB CC(C)(C)C(=O)N1CCCN(C[C@H](O)c2ccccc2)CC1 67229477 GPRXSQDLFAWQAO-INIZCTEOSA-N 304.434 2.300 0 40 DEAB CC(C)CNC(=O)CNC(=O)NCCc1cc2ccccc2o1 96417686 RWTQRCVWYWMLQG-UHFFFAOYSA-N 317.389 2.047 0 40 DEAB CC(C)[C@@H](NC(=O)Cn1ccccc1=O)c1nc2ccccc2[nH]1 7990735 KJGGSTOUBBANMZ-QGZVFWFLSA-N 324.384 2.238 0 40 DEAB COC(=O)CCNC(=O)N1CCC(Cc2ccccc2)CC1 9575701 XNYJIKVOKFBIOY-UHFFFAOYSA-N 304.390 2.214 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)Cc3ccccc3C2=O)c(C)c1 8060330 NJWNDQHKYXAAQB-UHFFFAOYSA-N 322.364 2.467 0 40 DEAB NC(=O)c1ccc(COC(=O)CCC(=O)c2ccccc2)cc1 16806569 HPQBRMVRKZWCBZ-UHFFFAOYSA-N 311.337 2.492 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2Cc2cccc(C(N)=O)c2)n1 70012606 YBUZEZKWYNIDBY-QGZVFWFLSA-N 312.417 2.263 0 40 DEAB C[C@](O)(CNC(=O)CCOc1ccccc1F)c1ccco1 81837004 BFSWYBNUXRZFBB-INIZCTEOSA-N 307.321 2.212 0 40 DEAB C[C@H](O)CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 71871082 HIMOYRGDRMGPRB-NSHDSACASA-N 322.405 2.179 0 40 DEAB Cc1nc2cc(O)nn2c(C)c1CCC(=O)N(C)CCC(C)C 69484819 XYACNQKRIUEUSE-UHFFFAOYSA-N 318.421 2.489 0 40 DEAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H]1Cn1cccn1 71866231 QEWJEGYCANQKAN-INIZCTEOSA-N 321.384 2.374 0 40 DEAB O=C(NCc1sccc1Br)NC[C@@H]1CCCO1 69633247 LBHLHUOVSGMBQW-QMMMGPOBSA-N 319.224 2.489 0 40 DEAB Cc1ccc(NC(=O)c2cccc3c2OCC(=O)N3)c2[nH]ncc12 69811266 ICXKDXCBUIPNSH-UHFFFAOYSA-N 322.324 2.455 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCn1cc(C)cn1 69899232 XENUIWFXYRAIOS-CVEARBPZSA-N 304.438 2.057 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCC[C@H](n2ccnc2)C1 69917378 GDRRLTXNPPHUHU-INIZCTEOSA-N 311.385 2.224 0 40 DEAB Cc1ccc(NC2CCN(C(=O)[C@H](C)OCC3CC3)CC2)nn1 69918621 MCAMIOSROCOCMP-ZDUSSCGKSA-N 318.421 2.003 0 40 DEAB NC(=O)COc1cccc(-c2nc(Cc3ccccc3)no2)c1 69921619 WXCBJUKBLAKFLR-UHFFFAOYSA-N 309.325 2.192 0 40 DEAB C[C@@H]1CCC[C@H](OCC(=O)NCCC(=O)N2CCCCCC2)C1 71903041 AQTMFKJCQJECMW-CVEARBPZSA-N 324.465 2.491 0 40 DEAB C[C@@H](NC(=O)c1cccs1)C(=O)Oc1ccc2[nH]ncc2c1 72310721 CQQNEIRPCHIRMT-SECBINFHSA-N 315.354 2.348 0 40 DEAB Cc1cc([C@H](C)NC(=O)[C@@H]2CCc3nnc(C)n3C2)c(C)o1 95432735 MTRIAQHDXGAEDT-GXFFZTMASA-N 302.378 2.236 0 40 DEAB CC(C)(C)[C@@H](NC(=O)N[C@@H]1CCCNC1=O)c1cccc(F)c1 95408150 RCLFOUKQDUVTAG-KGLIPLIRSA-N 321.396 2.491 0 40 DEAB COCc1ccccc1CNC(=O)C[S@@](=O)c1cccs1 95428106 OSXLELNYDNZPIW-NRFANRHFSA-N 323.439 2.319 0 40 DEAB CNC(=O)c1cccc(CCC(=O)N(C)c2nc(C)cs2)c1 95433708 ZSQIGBCXBICPOP-UHFFFAOYSA-N 317.414 2.407 0 40 DEAB CN1CCN(c2c(N)cc(Cl)c(N)c2Br)CC1 45891337 XLTDZGVAIXQXAI-UHFFFAOYSA-N 319.634 2.019 0 40 DEAB O=C(/C=C/c1ccc(Cl)cc1)N1CCOC[C@H]1c1ncon1 95981447 VSJOKZBXRQUSME-YIALFULDSA-N 319.748 2.336 0 40 DEAB COC(C)(C)CNC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1 95977516 QLBDQPZQWFAIDD-GFCCVEGCSA-N 318.776 2.237 0 40 DEAB CCN(CC1CCN(c2ccccn2)CC1)[C@@H]1C[C@H](C)OC1=O 95978741 ZLKIQEMXZLIVSS-GOEBONIOSA-N 317.433 2.324 0 40 DEAB O=C(Nc1cnc(C2CC2)nc1)NC1CCN(C2CC2)CC1 89764579 CPXHVYOQXIQUBI-UHFFFAOYSA-N 301.394 2.102 0 40 DEAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cccc2c1OCO2 89949045 SGDARMLJDCPRIZ-HIFRSBDPSA-N 304.390 2.152 0 40 DEAB COc1cc(C)c(S(=O)(=O)NCc2ccccn2)c(C)c1 29259210 NOBRKUIMXZOXCG-UHFFFAOYSA-N 306.387 2.186 0 40 DEAB CC[C@@](C)(NC(=O)c1cc(=O)c(OC)c[nH]1)c1nc(C)cs1 1548653697 JTKYASDSGZZKRM-OAHLLOKOSA-N 321.402 2.204 0 40 DEAB CCc1ccccc1O[C@@H](C)C(=O)NCCCn1ccnc1 20050285 PGIXMLCNKXAIEB-AWEZNQCLSA-N 301.390 2.419 0 40 DEAB Cc1nn(C[C@@H](C)C(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1Cl 32648265 YJYHBWCGIWENIS-MXWKQRLJSA-N 313.829 2.425 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)Cc1cc2ccccc2s1 514839264 JCVOVEUVGCBSFT-LLVKDONJSA-N 300.387 2.240 0 40 DEAB O[C@@H]1[C@@H](Nc2ncnc3c2ncn3C2CC2)CCCC1(F)F 517017070 SFLINJYPWOMAIG-GXSJLCMTSA-N 309.320 2.122 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@H](N)C[C@H]1C 521394646 SQCGNJBWTGJDHC-IUODEOHRSA-N 306.454 2.037 0 40 DEAB C[C@@H]1CCC[C@@H](OCC(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530075427 IRCCWBIACGERNF-NFAWXSAZSA-N 319.405 2.441 0 40 DEAB COC(=O)c1cccc(CNc2ccc(F)c(C(N)=O)c2)c1 79017573 IAAHGWVTQASQBW-UHFFFAOYSA-N 302.305 2.323 0 40 DEAB O=C(c1ccccc1F)N1CC(=O)N2CCc3ccccc3[C@@H]2C1 36070934 BYNWNSPFVZKHAP-KRWDZBQOSA-N 324.355 2.408 0 40 DEAB COC(=O)c1cc(N)ccc1Sc1nc(C(F)(F)F)n[nH]1 78406708 ZVLJWGDHIIJBCB-UHFFFAOYSA-N 318.280 2.344 0 40 DEAB O=C(NCCc1cccs1)C1CN(C(=O)c2cccs2)C1 62022615 MTZCAHRJRGWZTA-UHFFFAOYSA-N 320.439 2.241 0 40 DEAB Cc1nc(CSCCn2nc3ccccn3c2=O)cs1 78555825 IQDLJLUXHOADTI-UHFFFAOYSA-N 306.416 2.194 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cnccn2)C1 72386170 HFFOIGNDVNSOFT-CYBMUJFWSA-N 300.362 2.030 0 40 DEAB O=C(C1CC1)N1CCN(Cc2ccc(-c3ccccn3)nc2)CC1 564879672 YRGWDDXWXIOSTO-UHFFFAOYSA-N 322.412 2.198 0 40 DEAB C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCCOC2)CC1 195564943 BUPGEOSNFDFYBV-KBPBESRZSA-N 308.447 2.380 0 40 DEAB O=C(O)C[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1 191008408 TTWMAZRKBGLSQY-OAHLLOKOSA-N 315.325 2.262 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cccc(OC)c2)C1 40539191 MOOLJYDEBKMZCN-CYBMUJFWSA-N 306.362 2.046 0 40 DEAB O=C(O)c1ccc(-n2cc(-c3cccc(C(=O)O)c3)nn2)cc1 81103500 SRENYKTWILASKK-UHFFFAOYSA-N 309.281 2.331 0 40 DEAB CCc1nc(C)c([C@H](C)NCC2CCS(=O)(=O)CC2)s1 90882208 VOKDMGVQPSKNQE-JTQLQIEISA-N 316.492 2.489 0 40 DEAB Cc1ccccc1[C@H](CN1CCOCC1)NC[C@H]1CCCO1 195560578 MMMAMPJRWUJNIL-AEFFLSMTSA-N 304.434 2.137 0 40 DEAB CCOC[C@@H]1CN(C(=O)Cc2ccsc2)Cc2nccn2C1 96187813 GFKNJWFNALDSNB-AWEZNQCLSA-N 319.430 2.182 0 40 DEAB COCc1nsc(NC(=O)c2ccc(Br)o2)n1 96502299 ZRZFSXRYRVLSBD-UHFFFAOYSA-N 318.152 2.292 0 40 DEAB Cc1ccc(C2(CNC(=O)c3ccnn3C)CCOCC2)cc1 96182499 FIVSEDAOQWCSLG-UHFFFAOYSA-N 313.401 2.207 0 40 DEAB C[C@@H](OCc1ccccc1)C(=O)Nc1ccnc(N(C)C)n1 96425303 HRDFQVSOKLVJLN-GFCCVEGCSA-N 300.362 2.086 0 40 DEAB Cc1cnc(NC(=O)N2CCN(CCOC(C)C)CC2)s1 96444567 VQVVNHDWGGMLMJ-UHFFFAOYSA-N 312.439 2.026 0 40 DEAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@@H]1CCCO1 96432929 NFAOZBXUGBTPAE-INIZCTEOSA-N 317.433 2.326 0 40 DEAB CN(CCc1cccs1)C(=O)Nc1nnc2ccccn12 96434685 DXCAXKRQIDXXPE-UHFFFAOYSA-N 301.375 2.497 0 40 DEAB Cc1noc(-c2cccnc2N2CC[C@@H](Oc3cccnc3)C2)n1 96474618 PIKWFVGSXPFIDJ-CQSZACIVSA-N 323.356 2.493 0 40 DEAB COC[C@H]1CN(CCOCc2ccccc2)Cc2cncn2C1 96216734 GFJODYRFQOVOBB-KRWDZBQOSA-N 315.417 2.178 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCCN(C2CCCCC2)C1 95448748 ZNYBWBYKRPGUCO-SQWLQELKSA-N 309.454 2.260 0 40 DEAB O=C(CCc1ccccc1F)N1CCOC[C@@H]1c1ccn[nH]1 257275412 NPHJULYCJAANKU-OAHLLOKOSA-N 303.337 2.082 0 40 DEAB CC(C)c1cc(C(=O)N2CCO[C@@H](c3ccncc3)C2)on1 257301642 RZFGPYOQDJUEJO-OAHLLOKOSA-N 301.346 2.407 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN2Cc2cccc(OCCO)c2)n1 257304607 SMJGBJBSNWLMDS-KRWDZBQOSA-N 315.417 2.437 0 40 DEAB COc1ccc(OCC(=O)N2CCC[C@@H]2c2nc(C)c[nH]2)cc1 257289522 PYZQWMBWTQJNGV-OAHLLOKOSA-N 315.373 2.469 0 40 DEAB O=C(O)c1nn(-c2ccccc2F)nc1N1CCCCCC1 256048039 QHEGFQOCIMNAKK-UHFFFAOYSA-N 304.325 2.485 0 40 DEAB Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](N2CCCC2)[C@@H]1O 257323449 WKFHUJCUZHVQDR-MGPQQGTHSA-N 308.447 2.164 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)c3cn4c(C)cccc4n3)C2)n1 257291079 QFNNDVQMYMUFPW-CQSZACIVSA-N 321.384 2.371 0 40 DEAB O=S(=O)(Nc1ccccc1-n1cncn1)c1cccc(F)c1 28020367 AVMDRAAPAZDXPL-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB Cc1cnc([C@H](NC(=O)NCCN(C)C2CC2)C2CC2)s1 74200501 DTZSCEMXHIJKTJ-CYBMUJFWSA-N 308.451 2.296 0 40 DEAB CCn1cnnc1[C@@H]1CCCN(c2nc(OC)ncc2Cl)C1 91626932 XAMQPAKUARBBEN-SNVBAGLBSA-N 322.800 2.134 0 40 DEAB CCOc1cc(CNC[C@H](C)O)cc(Br)c1OC 8253616 NKCORMAUJWSUBH-VIFPVBQESA-N 318.211 2.327 0 40 DEAB O=C(NCCc1c[nH]cn1)c1c(F)c(F)c(F)c(F)c1F 5613459 SLQBKEJPAFXHNZ-UHFFFAOYSA-N 305.206 2.078 0 40 DEAB COc1ccccc1C(=O)NC(=S)NCc1ccccc1 12403204 FAVVHLAMTZSUFZ-UHFFFAOYSA-N 300.383 2.500 0 40 DEAB COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)O)c(CO)c1 13375623 ULPVIBVOKQAXJB-UHFFFAOYSA-N 320.297 2.398 0 40 DEAB biogenic,in-vitro Cc1nccn1C[C@H](C)C(=O)NCCN(C)C1CCCCC1 19287763 MLKYBVPMBBEFIK-AWEZNQCLSA-N 306.454 2.208 0 40 DEAB O=C(O)C1(C[C@@H]2CC(c3ccccc3F)=NO2)CCNCC1 19347993 RWUMVFAZMQCIIT-NSHDSACASA-N 306.337 2.163 0 40 DEAB Cc1nc2c(c(=O)[nH]1)CCN(Cc1cc(C)sc1C)CC2 19567985 YKTHASASWLOQJS-UHFFFAOYSA-N 303.431 2.357 0 40 DEAB Cc1ccc(C(C)(C)C(=O)N2CC[C@H](C(=O)N(C)C)C2)cc1 19747941 YYWHALBMGVOEGN-AWEZNQCLSA-N 302.418 2.209 0 40 DEAB CN(C)C(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1NC(=O)OCc1ccccc1 102233228 DDBSNDMTCKPSDO-CAOSSQGBSA-N 314.385 2.192 0 40 DEAB COc1ccc(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)cc1OC 525855 AEFPCFUCFQBXDQ-PBWFPOADSA-N 305.374 2.486 0 40 DEAB biogenic,in-vitro O=C([C@@H]1CCOC1)N1CC[C@@H](c2noc(-c3ccccc3)n2)C1 238824275 DJAUXVYDACYQHL-ZIAGYGMSSA-N 313.357 2.089 0 40 DEAB O=C(c1cnccn1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1888844149 QGHIAPFKUZTJRX-RYUDHWBXSA-N 317.780 2.335 0 40 DEAB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCOCC1 23695572 VIBUUIOIPBYYPU-SNVBAGLBSA-N 302.296 2.365 0 40 DEAB O=C(c1ccnc(F)c1)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224808 WTSZFZPXZZVLRJ-ZDUSSCGKSA-N 321.421 2.017 0 40 DEAB CCOc1ccc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 10255637 JCYNCQKGQOHINQ-INIZCTEOSA-N 310.353 2.142 0 40 DEAB Cc1noc(C)c1CC(=O)NCCn1cc(-c2ccoc2)cn1 575614747 FASAMEIWRUGGEV-UHFFFAOYSA-N 314.345 2.107 0 40 DEAB Cc1cc(C)cc(OCCC(=O)NCCCN2CCCC2=O)c1 40086488 RLLAPDPFVXYRKN-UHFFFAOYSA-N 318.417 2.201 0 40 DEAB CCN(CC)CCNC(=O)c1ccc2c(c1)NC(=O)CCS2 50081478 HTVAJNMZJZBNLC-UHFFFAOYSA-N 321.446 2.193 0 40 DEAB O=S(=O)(NCCCOCC1CC1)c1ccccc1Cl 31074346 WUVHDUCLGNTCGU-UHFFFAOYSA-N 303.811 2.435 0 40 DEAB O=C(NCCN1CCc2ccccc2C1)c1cc(C2CC2)[nH]n1 31339978 PCEWAOKLGMYLLX-UHFFFAOYSA-N 310.401 2.075 0 40 DEAB O=C1O[C@@H](C(=O)NCCc2ccsc2)Cc2ccccc21 40509535 KJMTZJBOJQVELH-CQSZACIVSA-N 301.367 2.189 0 40 DEAB CCOC(=O)CN(CCOC)Cc1ccc(F)c2cccnc12 40556031 ICCNNRJFUWUTRP-UHFFFAOYSA-N 320.364 2.385 0 40 DEAB O=C1[C@H]2N=NN(Cc3ccccc3F)[C@@H]2C(=O)N1c1ccccc1 101167604 PRAVLKKYGBQKRR-GJZGRUSLSA-N 324.315 2.319 0 40 DEAB O=C(CCCc1nc(-c2cccs2)no1)NC[C@@H]1CCCO1 32478300 UIZIBGAQTVWJGH-NSHDSACASA-N 321.402 2.416 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(Cl)cc1 32736734 PNNUCNXYLXSSEP-NSHDSACASA-N 324.808 2.334 0 40 DEAB O=C(c1ccccc1)N1CCN(c2cc(Cl)ncn2)CC1 551565 QWRMAIXKBKMPKA-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB COC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2 340227 DXGVXPRQBVQIDT-UHFFFAOYSA-N 303.343 2.066 0 40 DEAB Cc1occc1-c1nnc(SCC(=O)Nc2nncs2)o1 8970619 DEYIGFKPVFUHCK-UHFFFAOYSA-N 323.359 2.220 0 40 DEAB CCN(C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(Cl)s1 71185145 XPJCHBXHWCKTNI-QMMMGPOBSA-N 318.851 2.395 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCc2noc(C)n2)C12CCCCC2 79003108 MSDQLDRBODKPHP-STQMWFEESA-N 322.409 2.305 0 40 DEAB CCNc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1 3204419 FTNXIWLKBXEDIU-UHFFFAOYSA-N 320.193 2.186 0 40 DEAB CSCC[C@H]1NC(=O)N(Cc2cc(F)ccc2F)C1=O 54173221 QGBLXMARJBXNHT-LLVKDONJSA-N 300.330 2.138 0 40 DEAB CN(C)C1=NC(c2ccccc2)=NP(N(C)C)(N(C)C)=N1 4144815 WPEIWQZPBLCEOB-UHFFFAOYSA-N 306.354 2.434 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)CSCC(=O)O)c1 4167356 WCTKFHQUCXHEKP-UHFFFAOYSA-N 313.375 2.240 0 40 DEAB C[S@](=O)c1ccc(C(=O)NCC(C)(C)N2CCCCC2)cc1 42475999 XREOLFVZGLDZQK-JOCHJYFZSA-N 322.474 2.418 0 40 DEAB COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 7304355 NUCIPTFCYHONSS-UHFFFAOYSA-N 307.371 2.053 0 40 DEAB COCCCN1CCC(C(=O)NCCc2ccccc2F)CC1 47935916 GDRSFTJBJAFSKK-UHFFFAOYSA-N 322.424 2.233 0 40 DEAB CCS(=O)(=O)CCN(C)C(=O)Nc1cc(F)cc(Cl)c1 89258140 KWHTXGFWVNECIJ-UHFFFAOYSA-N 322.789 2.378 0 40 DEAB CN(C)c1ccc(NC(=O)CN(C)c2ccc(Cl)cn2)nc1 95385788 DZFVTYXZZUGSCV-UHFFFAOYSA-N 319.796 2.271 0 40 DEAB CC(C)(CNC(=O)c1cc2ccccc2o1)N1CCOCC1 25777446 QMUZTYKAJPZQQT-UHFFFAOYSA-N 302.374 2.273 0 40 DEAB Cc1ccc(CNC(=O)CCNC(=O)OCC(F)(F)F)s1 57216321 DLNIKCVYHALLCL-UHFFFAOYSA-N 324.324 2.351 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CC(=O)NC(C)(C)C)n2)cc1C 57427517 SESJRXBKHOETNA-UHFFFAOYSA-N 313.401 2.442 0 40 DEAB CN(C[C@H](O)COc1cccc2[nH]ccc12)[C@H]1CCSC1 108363529 JRMSGXNSHUCWAL-STQMWFEESA-N 306.431 2.345 0 40 DEAB COc1ccc(NC(=O)C(=O)Nc2ccccc2OC)cc1 9908877 DFLSNXZKZLTIIA-UHFFFAOYSA-N 300.314 2.281 0 40 DEAB Cc1ccc2oc(C(=O)NCCCN3CCN(C)CC3)cc2c1 58067170 XODZCGQXMBIHFC-UHFFFAOYSA-N 315.417 2.109 0 40 DEAB COC(=O)[C@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 27561784 CNPDFUNXDVOLFH-CYBMUJFWSA-N 319.336 2.403 0 40 DEAB COc1cccc(C(=O)NCCCCn2ccnc2)c1OC 58143469 RIKABYLVSGSXEQ-UHFFFAOYSA-N 303.362 2.111 0 40 DEAB O=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccccc3F)cc21 58168301 BTPWVNAFHJQGAI-UHFFFAOYSA-N 315.300 2.390 0 40 DEAB CCc1cccc(C)c1NC(=O)CN1CCCC[C@@H]1CC(N)=O 58146784 YFCVHVGEZYVPNH-OAHLLOKOSA-N 317.433 2.226 0 40 DEAB Cc1c(C(=O)N2CCO[C@@H](C)C2)cnn1-c1ccccc1F 44896894 VCUWWMLQONNJAB-NSHDSACASA-N 303.337 2.181 0 40 DEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)CCc2ccccc2O)C1 58218252 KGVBPSODPDLPPJ-OAHLLOKOSA-N 318.417 2.088 0 40 DEAB NC(=O)CN(Cc1nc(-c2ccc(F)cc2)no1)C1CCCC1 44944010 UJDQKQRRNHCCCG-UHFFFAOYSA-N 318.352 2.106 0 40 DEAB O=C(CCc1ccncc1)NC[C@@H]1COC2(CCCCC2)O1 95987079 VCTSHTUAGXGNMZ-OAHLLOKOSA-N 304.390 2.206 0 40 DEAB Cc1nc(O)c2c(n1)C[C@H]1CC[C@H](C2)N1C(=O)[C@@H]1CC12CCC2 100219940 MEYJDUPBPXBMBS-BZPMIXESSA-N 313.401 2.139 0 40 DEAB COC(=O)CCCCCCNC(=O)NCc1csc(C)n1 45344176 QUUBIPWIAIOBMW-UHFFFAOYSA-N 313.423 2.374 0 40 DEAB CC(=O)N1CSC[C@H]1C(=O)Nc1nc2ccc(C)cc2s1 48354206 BXZNXWCJKGHCLK-NSHDSACASA-N 321.427 2.465 0 40 DEAB O=C(CC(F)(F)F)Nc1cccc(C(=O)N2CCOCC2)c1 48300539 CRIIKQWAJGVFEG-UHFFFAOYSA-N 316.279 2.050 0 40 DEAB CC(C)c1noc(COC(=O)c2ccc3c(c2)CCC(=O)N3)n1 29144322 ITIITHVBGVTVRL-UHFFFAOYSA-N 315.329 2.435 0 40 DEAB Cn1cc(NC(=O)c2ccc(Cl)cc2Cl)c(C(N)=O)n1 2797573 ZTUINCYSTLMYBG-UHFFFAOYSA-N 313.144 2.078 0 40 DEAB CCN1C[C@@H](C(=O)NCc2ccc(COC(C)C)cc2)CC1=O 49149910 GEVWYDMEYFBFKY-INIZCTEOSA-N 318.417 2.096 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC(CC(N)=O)CC2)c(C)c1 49393563 XRTVOSTZTVMIFV-AATRIKPKSA-N 300.402 2.431 0 40 DEAB COc1ccc(C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4197507 XKAKQQOHKFSFDM-PKIAMQTDSA-N 301.342 2.465 0 40 DEAB COC(=O)C(C)(C)N(C)S(=O)(=O)c1cccc(Cl)c1F 65494933 XNMILQVIRHYAQQ-UHFFFAOYSA-N 323.773 2.051 0 40 DEAB COc1ccc(N(C)C(=O)c2ccc([S@](C)=O)cc2)cn1 65517756 BOELZNYBYHOSCE-OAQYLSRUSA-N 304.371 2.104 0 40 DEAB O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NC2CC2)c1 14111034 KGCVWQYVKIIHKG-UHFFFAOYSA-N 316.382 2.380 0 40 DEAB CSc1nc(C)c(CCC(=O)NC2CCC(O)CC2)c(C)n1 14121460 RINCDBKBWCZLRW-UHFFFAOYSA-N 323.462 2.168 0 40 DEAB COc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)c(OC)c1C 409031098 IUEMWBUBGVNSHH-FLIBITNWSA-N 306.387 2.042 0 40 DEAB N=C1NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1 4575052 CFAGUFSZRAZDMF-MRVPVSSYSA-N 318.185 2.488 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COn2nnc3ccc(Cl)cc32)C1 14352111 REIPPTBTYMHEEO-PHIMTYICSA-N 322.796 2.018 0 40 DEAB O[C@@H](COCc1cccs1)Cn1cc(-n2cccc2)cn1 95438861 JNDTVFSSSXHLGP-CQSZACIVSA-N 303.387 2.313 0 40 DEAB O[C@H](CNC[C@H]1OCCc2ccccc21)COc1ccccc1 4769855 DOMDGVSFKLBTOO-VQIMIIECSA-N 313.397 2.330 0 40 DEAB Cc1ccc(NCCNC(=O)c2scnc2C(C)(C)C)nn1 96446281 TVDUUGGILYUNKP-UHFFFAOYSA-N 319.434 2.381 0 40 DEAB CCCc1nc([C@@H](NC(=O)CCOC)c2ccccc2)no1 96412089 WMWRYNKXXKLSJV-HNNXBMFYSA-N 303.362 2.264 0 40 DEAB C[C@H]1CN(CC2CCN(Cc3cccnc3)CC2)C[C@@H](C)O1 69489529 DYDOXXJWBNPZGB-IYBDPMFKSA-N 303.450 2.403 0 40 DEAB Cn1c([C@H]2CCCN2C(=O)Cc2ccon2)nc2ccccc21 71916713 SIRLJRUATHKWKS-OAHLLOKOSA-N 310.357 2.468 0 40 DEAB CCN(CCNC(=O)c1cc(=O)c2ccccc2o1)C1CC1 69562337 CGBWYLAYTCIYSS-UHFFFAOYSA-N 300.358 2.007 0 40 DEAB Cc1nc(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccc12 69654157 FALWXGIQHRYACH-OAHLLOKOSA-N 322.416 2.442 0 40 DEAB Cn1cc([C@@H]2C[C@@H]2C(=O)OCc2cccc3c2OCCO3)cn1 69872770 ISKAVWOVDDLSGD-KBPBESRZSA-N 314.341 2.038 0 40 DEAB COC(=O)c1ccccc1NC(=O)Cc1ccccc1C(=O)O 70666508 QGCGEEILHVNKSG-UHFFFAOYSA-N 313.309 2.353 0 40 DEAB biogenic CC(C)n1ccnc1SCn1nnc2ccccc2c1=O 8720066 ZVWDWTFZKOCOLF-UHFFFAOYSA-N 301.375 2.319 0 40 DEAB Cc1ncn(C[C@H](O)c2ccccc2Br)c(=O)c1C 97082231 PQPFMJKBNLBHFF-ZDUSSCGKSA-N 323.190 2.356 0 40 DEAB O=C(Nc1ccccc1)c1ccc(NC[C@@H](O)c2ccco2)nn1 72291226 HCXXBQDDKITOFW-CQSZACIVSA-N 324.340 2.467 0 40 DEAB CCCc1nc(C)c(C(=O)N2CCC[C@@H](n3cncn3)C2)s1 72272143 HZCCNWCLIVJSAD-GFCCVEGCSA-N 319.434 2.473 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)NC[C@]2(O)CCSC2)s1 89656525 KAQFRLILNIBAIK-IINYFYTJSA-N 314.476 2.155 0 40 DEAB O=C(NC[C@@]1(O)CCSC1)N[C@@H](c1ccc(F)cc1)C1CC1 89782821 AQDSSDUIXLHCPH-ZBFHGGJFSA-N 324.421 2.444 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(c1ncnc3sccc13)CC2 89986563 STRHEEQXERJQMR-OLZOCXBDSA-N 319.430 2.448 0 40 DEAB Cc1noc(C)c1CCNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 171721718 MRYVCLIPVLHFMO-LRDDRELGSA-N 316.357 2.179 0 40 DEAB COC(=O)CC1CCN(C(=O)c2nc[nH]c2C(C)(C)C)CC1 521396437 XPEKJTCCUDVNFC-UHFFFAOYSA-N 307.394 2.123 0 40 DEAB O=C(Nc1cnns1)[C@H]1CCCN1Cc1ccc(F)cc1 189596375 KVJOTEKPFNZZNX-GFCCVEGCSA-N 306.366 2.280 0 40 DEAB CCOC(=O)CSc1nnc(COc2ccccc2F)o1 409384799 DGTBOMQFFTWJDG-UHFFFAOYSA-N 312.322 2.443 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)[C@@H]1CC=CCC1 521396407 VCTOHIGPOYGTAT-YIYPIFLZSA-N 306.406 2.467 0 40 DEAB CC1(C)[C@H](c2ccccc2)C[C@H]1NCC(=O)N1CCOCC1 123702771 ZKJQFWSJSQYDHQ-JKSUJKDBSA-N 302.418 2.017 0 40 DEAB O=C(Nc1ccc(Br)cn1)[C@H]1CC[C@@H](C(=O)O)C1 71405196 ICCVCQBJZHBQOZ-JGVFFNPUSA-N 313.151 2.284 0 40 DEAB CC(=O)N1CCC(Cc2cncc(Nc3ccccn3)n2)CC1 72355013 PLVFCXLCOJQMNP-UHFFFAOYSA-N 311.389 2.416 0 40 DEAB O=C1C[C@@H](CNCc2cnc3ccc(Cl)cn23)CN1C1CC1 567172517 QNWGTJNEFFOZDO-NSHDSACASA-N 318.808 2.088 0 40 DEAB COc1cc(CCC(=O)Nc2cccc(-c3nc[nH]n3)c2)on1 79479928 OKUOMZNGZYOPFV-UHFFFAOYSA-N 313.317 2.040 0 40 DEAB Cc1oncc1C(=O)N[C@H](c1cccnc1)C1CCOCC1 225622174 WFTOIKIRSQUAIM-HNNXBMFYSA-N 301.346 2.276 0 40 DEAB Cc1cccc(CC(=O)N2CC[C@@H](Oc3ccc(C)nn3)C2)c1 225423344 PFWJNSTZJHNKCA-MRXNPFEDSA-N 311.385 2.316 0 40 DEAB CN([C@H]1CCOC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 195579937 FGMUPODAGBOXPQ-NSHDSACASA-N 323.336 2.201 0 40 DEAB CN(C)C(=O)c1ccc(C(=O)Oc2ccc3[nH]ncc3c2)cc1 88817209 NWRUFPBZCVELDH-UHFFFAOYSA-N 309.325 2.484 0 40 DEAB CN1CCC[C@@H](C(=O)NCc2ccc(-c3ccncc3)cc2)C1=O 573196206 FWDNARUBKVDYJM-KRWDZBQOSA-N 323.396 2.233 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cnn2ccccc12 77193767 QZJXMYJCTOLRAD-FNORWQNLSA-N 321.336 2.393 0 40 DEAB COc1cccc(C[C@@H](NC(=O)Cc2ccon2)C2CC2)c1 95440612 HRWXPZYTCJHANX-MRXNPFEDSA-N 300.358 2.363 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(Cc4nccn4C)C3)CC2=O)cc1 96238482 GGELFERJYYIWCV-LJQANCHMSA-N 324.428 2.358 0 40 DEAB O=C1C[C@]2(CCN(c3nncs3)C2)CN1c1ccccc1 96238361 GPXSDSHUYKNDBR-HNNXBMFYSA-N 300.387 2.172 0 40 DEAB Cc1cc(Br)c(O)c(NC(=O)Cc2ccn[nH]2)c1 96496663 DFLGJKDGMSRKQW-UHFFFAOYSA-N 310.151 2.367 0 40 DEAB O=C(c1cnccn1)N1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1 96182338 QRUVBECXEGCGKG-IYBDPMFKSA-N 314.433 2.061 0 40 DEAB COC[C@@H]1c2nnn(CC3CC3)c2CCN1Cc1ccsc1 96045340 VBNHSBRDIMSUHI-OAHLLOKOSA-N 318.446 2.495 0 40 DEAB COc1ccccc1C[C@H](NC(=O)N1CCC[C@@H]1CO)C(C)C 96448400 WETSDKCMYFXTDX-CVEARBPZSA-N 320.433 2.429 0 40 DEAB COC(=O)[C@H]1CCCCN1C(=O)CCc1ccc(F)cc1F 95433579 NTMXLTUPEQYHSS-CQSZACIVSA-N 311.328 2.452 0 40 DEAB Cn1ccnc1CN1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238421 PBPFLLIKKPLMSF-SFHVURJKSA-N 310.401 2.049 0 40 DEAB O=C1CC2(CCN(C(=O)c3ccno3)CC2)c2ccccc2N1 96080211 QRJYWISMVLXQER-UHFFFAOYSA-N 311.341 2.191 0 40 DEAB CNc1cnc(C[C@@H]2CCCN(Cc3cncn3C)CC2)cn1 257208213 BLEJRFXCUHLBPM-CQSZACIVSA-N 314.437 2.097 0 40 DEAB CN1CCC[C@@H]2N(C(=O)CN3CCCCCC3)CCC[C@@]21C 257247841 JAUQMXYLONJXFB-WMZOPIPTSA-N 307.482 2.338 0 40 DEAB O=C(c1ccncn1)N1Cc2nccn2C[C@H]1c1ccccc1 257252120 JTQBTDKMYVEYIM-HNNXBMFYSA-N 305.341 2.070 0 40 DEAB Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2cccs2)[C@H]1O 257310679 UGCIIDCXNXUZCG-IIAWOOMASA-N 319.430 2.066 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1c1ccncn1 257272164 NBHIHZUNJCWFEY-INIZCTEOSA-N 321.384 2.498 0 40 DEAB COCCN1CCC[C@@H](c2cc(-c3ccnn3C)nc(C)n2)C1 257339702 ZCVLQWFAPYLGRN-CQSZACIVSA-N 315.421 2.011 0 40 DEAB CO[C@H]1CCCN(C(=O)c2cnc[nH]2)[C@H]1Cc1ccccc1F 585274650 LUYJAIUYLDNAJT-HOTGVXAUSA-N 317.364 2.411 0 40 DEAB CCCN1CCc2oc(C(=O)N3CCC(F)(F)CC3)nc2C1 585112758 VCGSULLTJSXTPJ-UHFFFAOYSA-N 313.348 2.314 0 40 DEAB C[C@@H]([C@@H](C)NCC(=O)NCCC1=CCCCC1)n1cccn1 70003961 IAIWUVIMEAHIIX-CABCVRRESA-N 304.438 2.429 0 40 DEAB CNC[C@@H]1CCN(C(=O)Cc2cccc(Br)c2)C1 71142770 MEHWTLFHOBYGBL-LBPRGKRZSA-N 311.223 2.060 0 40 DEAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NC1=NCCS1 36724892 UFBBNOYPLVTIGV-UHFFFAOYSA-N 302.399 2.357 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccc(-n3cccn3)cc2)C[C@H](C)O1 46901736 BJBRHCLWQFIPQX-KBPBESRZSA-N 314.389 2.191 0 40 DEAB O=C(Nc1nccs1)N1CCC(c2nnc3n2CCC3)CC1 52797615 MDXPBCDKTRUORA-UHFFFAOYSA-N 318.406 2.092 0 40 DEAB O=C(NCCC1=CCOCC1)[C@@H]1CCCN(CC(F)(F)F)C1 95436351 FWVMFPHMRWJJBT-CYBMUJFWSA-N 320.355 2.114 0 40 DEAB CC[C@@H]1Oc2nc3ccccc3cc2CN(CCOC)C1=O 12115620 UTUGYCXUZYMKQC-HNNXBMFYSA-N 300.358 2.381 0 40 DEAB CCn1ccnc1N1CCN(C(=O)Cc2cccc(C)c2)CC1 12444613 LMQGFFHFKRDJAM-UHFFFAOYSA-N 312.417 2.103 0 40 DEAB CC[C@H](C(=O)N1CCN(c2nccn2C)CC1)c1ccccc1 13693552 DIUQBCRIFWPKDA-INIZCTEOSA-N 312.417 2.263 0 40 DEAB Cc1ncc(CN2C[C@H]3ON=C(c4ccccc4C)[C@@H]3C2)cn1 19236973 XCGODBKYGKTDDD-IAGOWNOFSA-N 308.385 2.328 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)Nc1nnc(CCOC)s1 19524140 OAPLDFSYBCEPSC-UHFFFAOYSA-N 323.422 2.319 0 40 DEAB Cc1cccc([C@@H]2CC(=O)c3cnc4nc(N)[nH]c(=O)c4c3C2)c1 19973949 LWHWCKIWRKETOH-NSHDSACASA-N 320.352 2.121 0 40 DEAB COC(=O)c1coc(Cn2ccnc2[C@@H](O)c2ccccc2)c1 154743774 YCCYMZXIEOWSPO-HNNXBMFYSA-N 312.325 2.393 0 40 DEAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)NC1CCCCC1 15882734 CPRABNVLDBYDOZ-UHFFFAOYSA-N 321.446 2.190 0 40 DEAB Cc1cc(C(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)co1 575349377 MXBKPYZXICWCNT-MRXNPFEDSA-N 312.369 2.161 0 40 DEAB Cc1ccc(CN(C)C(=O)CCS(=O)(=O)c2ccccc2)o1 14200811 WYRIBDMPAOTTLR-UHFFFAOYSA-N 321.398 2.410 0 40 DEAB CC(C)(C)c1nnc(N2CCC[C@H](NC(=O)C3CC3)C2)s1 2086881992 RKSPJCABULRKCJ-NSHDSACASA-N 308.451 2.331 0 40 DEAB COC[C@](C)(CNC(=O)c1ccccc1Br)OC 575612698 NURLCTONZAODPU-ZDUSSCGKSA-N 316.195 2.230 0 40 DEAB COc1ccccc1C(=O)Nc1ccc(NCCCO)nc1 20380960 DXPSXJYNPVTBSV-UHFFFAOYSA-N 301.346 2.137 0 40 DEAB NC(=O)CC1CCN(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)CC1 102390317 DJAHECGSDINYBI-KKUMJFAQSA-N 307.438 2.110 0 40 DEAB Cc1ccc([C@H](C)N(C)Cc2nc3c(cnn3C)c(=O)[nH]2)s1 52830705 KXUZGFMAEYMWFC-JTQLQIEISA-N 317.418 2.220 0 40 DEAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1N1CCOCC1 570301 WLTHRBZZRKXMTL-UHFFFAOYSA-N 321.446 2.382 0 40 DEAB CC(=O)N1CCCN(C(=O)c2cc3ccccc3cc2O)CC1 53355378 QECMLVMWGBRRFD-UHFFFAOYSA-N 312.369 2.240 0 40 DEAB O=C1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccco3)nc2N1 95729 ROFBIBKBYTZKJR-NSHDSACASA-N 323.312 2.055 0 40 DEAB O=C(NC[C@H]1CCOC1)N(Cc1cccs1)C[C@@H]1CCCO1 47067312 DPKNHKSWRCEFFG-KGLIPLIRSA-N 324.446 2.475 0 40 DEAB COC(=O)[C@@H](C)Oc1cc(Br)c(C=O)cc1OC 12394198 QKCIXECUWOOTOG-SSDOTTSWSA-N 317.135 2.211 0 40 DEAB O=C(NCCNC(=O)c1c[nH]c2ccccc12)c1cccs1 12390520 SCAYXAXTBRQRBO-UHFFFAOYSA-N 313.382 2.389 0 40 DEAB CNC(=O)c1cccc(NC(=O)[C@@H](C2CC2)N2CCCC2)c1C 97115915 ADAIAMPSOGGLHT-MRXNPFEDSA-N 315.417 2.168 0 40 DEAB CC(C)(C)c1n[nH]c([C@H]2CN(CCc3ccncc3)CCO2)n1 78893372 QSIFRFRSUUTLDL-CQSZACIVSA-N 315.421 2.113 0 40 DEAB O=C1CC[C@H](C(=O)NCCc2nc(C3CCCCC3)cs2)N1 78917851 SMDHETWTKGUHLQ-GFCCVEGCSA-N 321.446 2.128 0 40 DEAB Brc1ccc(CNCCCN2CCOCC2)cc1 6322085 PCINFDFVSAFAJW-UHFFFAOYSA-N 313.239 2.261 0 40 DEAB Cc1oc2ncn(C)c(=O)c2c1C(=O)NC1CCCCCC1 6590036 DOBCPFPCWYWBOS-UHFFFAOYSA-N 303.362 2.288 0 40 DEAB COc1cc(OC)c(OC)cc1CNn1c(C)n[nH]c1=S 7601976 UPOPKMAMDABTKL-UHFFFAOYSA-N 310.379 2.019 0 40 DEAB C[C@H]1CCCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)C1 23735973 POGAEAHWZOXTCR-NSHDSACASA-N 322.792 2.324 0 40 DEAB Cc1noc(-c2cccnc2N2CCC[C@H](C3OCCO3)C2)n1 95403171 CQSSGNGCDXEQQA-LBPRGKRZSA-N 316.361 2.029 0 40 DEAB COC(=O)c1cc(Nc2ccc(OC)cc2)c(=O)n2c1CCC2 26897261 JEPZRGVALVFJRK-UHFFFAOYSA-N 314.341 2.333 0 40 DEAB Cc1nc(N2CCN(C(=O)NC3CC=CC3)CC2)sc1C 95436322 YDCLPRWREWWQHB-UHFFFAOYSA-N 306.435 2.310 0 40 DEAB O=C1CN(C(=O)c2cc(=O)[nH]c3ccccc23)c2ccccc2N1 57390737 KTODSLXJXWKBST-UHFFFAOYSA-N 319.320 2.127 0 40 DEAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CC[C@H](CNC)C2)cc1 71145120 KAYGWBDPXASPQL-ZIAGYGMSSA-N 310.463 2.430 0 40 DEAB COc1cccc(S(=O)(=O)Cc2noc(CC(C)C)n2)c1 44947654 NMSMAXLADCWSFT-UHFFFAOYSA-N 310.375 2.251 0 40 DEAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)[C@H]1CCCO1 27876332 ZRJSSGJGUWVDQB-WDEREUQCSA-N 321.402 2.414 0 40 DEAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc2c(c1)OCO2 3312344 QUIRDWCWLNCFAJ-GQCTYLIASA-N 315.281 2.203 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCn2c1nc1ccccc12 29375494 DMGPDOQIZXHIBN-UHFFFAOYSA-N 307.309 2.425 0 40 DEAB CCc1ccc(S(=O)(=O)NCCN2CCC[C@@H](C)C2)cc1 46035157 NXACFSZWKNQLNM-CQSZACIVSA-N 310.463 2.259 0 40 DEAB Cn1ncc2c(NC[C@H]3CCN(c4ccccc4)C3)ncnc21 29624729 RMJZDXDTJSPCIR-CYBMUJFWSA-N 308.389 2.302 0 40 DEAB COCCN1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O 409137748 XMWINEWTKFEPAV-NTUHNPAUSA-N 321.354 2.406 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)c2nonc12)c1ccccc1 13325328 ZKMNJSFAPKFSRU-UHFFFAOYSA-N 324.340 2.312 0 40 DEAB Cc1sc2ncc(C(=O)Nc3cccnc3)c(=O)n2c1C 71288597 HXKMXJVAKVCZHH-UHFFFAOYSA-N 300.343 2.020 0 40 DEAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 5059127 OGMORJZWMGMBFU-VXGBXAGGSA-N 303.314 2.063 0 40 DEAB C/C(=C\Cc1c(O)c(C)c2c(c1O)C(=O)OC2)CCC(=O)O 13759728 MHSRNZSBNXFMLF-FPYGCLRLSA-N 306.314 2.430 0 40 DEAB biogenic,world O=C(NCC1CCCCC1)N[C@@H]1CCCc2c1cnn2CCO 65613280 ZKYOVFBYGTVZGE-OAHLLOKOSA-N 320.437 2.132 0 40 DEAB CN1CCC[C@H](NC(=O)Nc2nc(-c3ccccc3)ns2)C1 65818842 WAJSUPHLKKOMGC-LBPRGKRZSA-N 317.418 2.421 0 40 DEAB Cc1ccc([C@@H](NC(=O)CN2CCn3ccnc3C2)C2CC2)cc1 97201219 FNLFYFJONPGTLE-LJQANCHMSA-N 324.428 2.275 0 40 DEAB Cn1c(CN2CCOCC2)nnc1SCc1ccc(F)cc1 19799033 MLJRKEQPXXDLIP-UHFFFAOYSA-N 322.409 2.079 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)CCS(=O)(=O)Cc2ccccc2)C1 4735714 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Cc1nn(C)c(C)c1[C@H](C)NC(=O)Cc1cn2ccccc2n1 69442870 VOQBOXQQDMOTPR-NSHDSACASA-N 311.389 2.105 0 40 DEAB CC(C)(C)c1cn2nc(N3CCc4cncnc4C3)sc2n1 71859447 NNSISQZKPZMPBQ-UHFFFAOYSA-N 314.418 2.441 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CCn2c(=O)oc3ccccc32)C1 17244240 ZIHNRUZZCPVVSC-STQMWFEESA-N 302.374 2.489 0 40 DEAB C[C@H](NC(=O)NCCc1ccnn1C)c1ccc(F)c(F)c1 96503019 IWCIESMBMHGZOK-JTQLQIEISA-N 308.332 2.301 0 40 DEAB COC(=O)N1CCC[C@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C1 69629420 QEJOHZJCSARMPC-FZMZJTMJSA-N 323.368 2.417 0 40 DEAB CNC(=O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 69740575 NHLILUQEWFNAAI-CQSZACIVSA-N 313.401 2.085 0 40 DEAB Cc1oc(-c2ccsc2)nc1CN[C@@H]1CCc2ncnn2C1 69773666 RQMFFABPISTCTQ-GFCCVEGCSA-N 315.402 2.408 0 40 DEAB CN(C(=O)[C@@H]1C[C@H]1c1ccco1)c1ccccc1S(C)(=O)=O 83869785 ALEYOEWSKIXWMI-VXGBXAGGSA-N 319.382 2.450 0 40 DEAB COC(=O)c1cccc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1 69897476 RUXRJHWNYUMOKE-INIZCTEOSA-N 316.401 2.174 0 40 DEAB CC(C)(C)CC(C)(C)NS(=O)(=O)c1ccc(C(N)=O)cc1 8734125 IGQLKCMLWXWWMT-UHFFFAOYSA-N 312.435 2.279 0 40 DEAB CCCN(CC1CC1)C[C@H](O)COc1ccc(C(=O)OC)cc1 9863804 UOZMCRBOZGDPQA-INIZCTEOSA-N 321.417 2.335 0 40 DEAB COc1ccc(F)cc1CN1CCn2c(nnc2C2CC2)C1 72268366 UKZQYEMAXJKKBE-UHFFFAOYSA-N 302.353 2.319 0 40 DEAB COc1ccc(C(=O)NCCCc2nc[nH]n2)c2ccccc12 72292998 GYDBHNAASGSWFA-UHFFFAOYSA-N 310.357 2.329 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)CNC(=O)CCC1CCCC1 72282666 NQUOQYKGSGRKNM-AWEZNQCLSA-N 317.433 2.478 0 40 DEAB CSCC[C@H](C)NC(=O)N1CCC(O)(C(F)(F)F)CC1 95985224 KVCLGZJPLYATFW-VIFPVBQESA-N 314.373 2.227 0 40 DEAB C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1(C)CCCCC1 95942015 NOEYOCYLTMXMRY-LSDHHAIUSA-N 314.495 2.455 0 40 DEAB CC[C@H](c1ccncc1)N(CC)C(=O)[C@H]1CCN(C)C(=O)C1 75143958 XUKJPZYIAZEIKY-LSDHHAIUSA-N 303.406 2.250 0 40 DEAB Cc1ccc(CCNC(=O)N[C@H](C)C[C@@H](O)c2ccco2)cn1 89652220 REBZXZJIXFDGIJ-UKRRQHHQSA-N 317.389 2.337 0 40 DEAB NC(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 75260701 BWZXCYGWPCYYBY-OMCISZLKSA-N 307.693 2.300 0 40 DEAB COc1ccc2cc([C@H](C)N3CCO[C@H](C(N)=O)C3)ccc2c1 76089558 MJVZPFGAVBXNGX-SJCJKPOMSA-N 314.385 2.096 0 40 DEAB O=C(N[C@H]1COC[C@@H]1O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 1548900469 CXAAQJUWOZFYMV-ATGSNQNLSA-N 324.808 2.035 0 40 DEAB CN(C)C(=O)c1cccc(CN2CC(=O)Nc3ccccc3C2)c1 522010868 GNHSZSSACMEABH-UHFFFAOYSA-N 323.396 2.343 0 40 DEAB CCN(CC)CCNC(=O)c1ccc(Cn2nc(C)cc2C)o1 32502481 USADYRMRVUVJDE-UHFFFAOYSA-N 318.421 2.213 0 40 DEAB CC(C)OCCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 74390432 MTWBTHVKLLTVQT-UHFFFAOYSA-N 315.417 2.351 0 40 DEAB CCn1cc(CNC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)cn1 189606972 QSDWGVPNWIPFNP-CHWSQXEVSA-N 305.344 2.476 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N(C)Cc2ccco2)ccc1C 74966277 CHCRYVPKWMKRCF-UHFFFAOYSA-N 323.370 2.195 0 40 DEAB Cc1ccc(NC(=O)Cn2c(=O)c(C)nc3ccccc32)nc1 72405741 BJYGSYMBLOFZKC-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB CCCNC(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 36694990 FWOBVWXWICKGJR-UHFFFAOYSA-N 323.437 2.040 0 40 DEAB C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(F)cc2cccnc12 135629425 BRSWXLORTWORQW-UZJPJQLHSA-N 308.378 2.213 0 40 DEAB O=C(OCc1ccccc1)N1CCC[C@H]1CN(CCO)C1CC1 79391738 GKQYBACIPUQSGB-KRWDZBQOSA-N 318.417 2.244 0 40 DEAB Fc1ccc(Cn2cc(Nc3ncnc4[nH]ncc34)cn2)cc1 41121094 LCPSCZHXQWMYGX-UHFFFAOYSA-N 309.308 2.480 0 40 DEAB Cc1ccc(C(=O)OC[C@@H]2CCC(=O)N2)cc1Br 80120328 YCNWXXURZQEQMK-JTQLQIEISA-N 312.163 2.193 0 40 DEAB Cc1ncc(C(=O)NCc2nc3cccnc3[nH]2)c(C(C)C)n1 194227255 UXZUXBLETJMETF-UHFFFAOYSA-N 310.361 2.110 0 40 DEAB CCc1nccn1S(=O)(=O)c1ccc(Cl)c(OC)c1 48044590 WWXQYCYXJNWGAZ-UHFFFAOYSA-N 300.767 2.345 0 40 DEAB CSc1ccccc1NC(=O)c1cc(N2CCOCC2)on1 224080276 RHBDZPMIGHYQAQ-UHFFFAOYSA-N 319.386 2.485 0 40 DEAB Cc1ccc(CN2CC[C@H]3CO[C@H](CN4CCCC4=O)[C@H]3C2)o1 96056242 MUYRYBXZMWVNRW-BHYGNILZSA-N 318.417 2.047 0 40 DEAB O=C1COC2(CCN(CC3CC3)CC2)CN1c1ccccc1 96049236 SMHIAXQFNIAXDM-UHFFFAOYSA-N 300.402 2.294 0 40 DEAB O=C(c1ccncc1)N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1 96245976 DKYCADLSVZBIRB-KBPBESRZSA-N 313.382 2.163 0 40 DEAB COC[C@H]1CN(C(=O)NCc2oc3ccccc3c2C)CCO1 96440332 UFMHHBYIDOMTGB-CYBMUJFWSA-N 318.373 2.298 0 40 DEAB C[C@](Br)([C@H](O)c1ccccc1F)S(C)(=O)=O 96521265 STONOBAPVSAMKJ-NXEZZACHSA-N 311.172 2.015 0 40 DEAB C[C@H](NC(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCCCC1 96407246 UPVJWFYWPGVHRP-FXUDXRNXSA-N 324.465 2.487 0 40 DEAB C1CC(COC[C@H]2CC[C@@H]3[C@@H](CCN3CC3CC3)O2)CCO1 96056429 BYOSKJSOQGRECX-KZNAEPCWSA-N 309.450 2.462 0 40 DEAB CCc1ccc(CN2CCC3(CC2)OCC(=O)N(C)[C@@H]3C)o1 96201503 NUSBBEJMOQTPHP-CYBMUJFWSA-N 306.406 2.054 0 40 DEAB COc1cccc(CNc2cc(C(N)=O)ccc2CN(C)C)c1 96482920 QXLPMCXVYCFOFE-UHFFFAOYSA-N 313.401 2.468 0 40 DEAB COC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccc(F)cc3)[C@H]2C1 247815436 AZNHRNQINFWGIR-BPUTZDHNSA-N 307.365 2.021 0 40 DEAB CCCc1cc(NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C)n[nH]1 252486447 KBMWXDQQUWJHFQ-BNOWGMLFSA-N 318.421 2.338 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 257258555 KUNSQCKWUAFADF-AWEZNQCLSA-N 322.372 2.276 0 40 DEAB CN1C(=O)N(Cc2cccnc2)[C@H]2CC[C@@H](c3cncnc3)[C@H]21 257320546 VXHWRSFHQJQAKS-HRCADAONSA-N 309.373 2.054 0 40 DEAB COc1ccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)cc1 256045972 CANYINMTWOIQDU-UHFFFAOYSA-N 316.361 2.355 0 40 DEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(Cc3cc[nH]n3)CC[C@H]21 257208519 BMMREKZKQJKNNP-GUDVDZBRSA-N 324.428 2.246 0 40 DEAB CN(C)CC(=O)N1C[C@H]2[C@@H](Oc3cccc(F)c3)CC[C@H]2C1 257333972 YDYQPUHKAMKNJM-MAZHCROVSA-N 306.381 2.003 0 40 DEAB O=C(O)C[C@H]1CCCN1C(=O)c1cccnc1C(F)(F)F 262861035 FDKMNXRJERKBBC-MRVPVSSYSA-N 302.252 2.180 0 40 DEAB CO[C@]1(COc2cccc(F)c2)CCN(Cc2cc[nH]n2)C1 585274348 JGPVZWCIRFBGHI-MRXNPFEDSA-N 305.353 2.219 0 40 DEAB CCn1cc(CN2CCC3(CC2)OCC[C@H]3CCOC)cn1 585105500 YDSDGFKEVABEMH-MRXNPFEDSA-N 307.438 2.311 0 40 DEAB CO[C@H]1CN(C(=O)/C=C/CN(C)C)CC[C@@H]1Cc1ccccc1 585289077 FHHJYBSMMOJIQL-WGDYAQENSA-N 316.445 2.210 0 40 DEAB Cc1ccc2c(c1)CC[C@@H]2NC(=O)c1ccnc(-n2cncn2)c1 55661851 IQJIVFTZYXYRRB-INIZCTEOSA-N 319.368 2.388 0 40 DEAB O=C(C1CCCCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436729 SEFLBUGXCDWECL-OAHLLOKOSA-N 306.406 2.038 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)c2ccc(S(C)(=O)=O)cc2)o1 40462221 YNBSIXXKPKAXEZ-LLVKDONJSA-N 307.371 2.483 0 40 DEAB O=C(NCCC[C@H]1CCCN1)c1n[nH]c2ccc(Cl)cc12 518531926 HUUPAURXIBENAR-LLVKDONJSA-N 306.797 2.478 0 40 DEAB C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc(Br)cc1O 81796325 QTVKAFRXUWTTJO-RKDXNWHRSA-N 316.195 2.292 0 40 DEAB CSCC[C@H](O)CNC(=O)Cc1c(F)cccc1Cl 1775967580 XBPOSUAYBHZAKM-VIFPVBQESA-N 305.802 2.252 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)Oc1ccc2c(c1)OCO2 5577129 SERMCKQSHGJITJ-UHFFFAOYSA-N 314.293 2.335 0 40 DEAB CC(C)NC(=O)C1CCN(c2nc3ccccc3n2C)CC1 12116318 VLPJMEHIITWSGC-UHFFFAOYSA-N 300.406 2.314 0 40 DEAB COc1cc(-c2cnc(N)nc2-c2cccs2)nc(OC)n1 19550380 AWBPOZXTHYUKGZ-UHFFFAOYSA-N 315.358 2.262 0 40 DEAB COc1ccc2c(c1)OC[C@]1(O)c3ccc(OC)cc3O[C@@H]21 14820413 VVPGAJNPGZZNBM-IRXDYDNUSA-N 300.310 2.418 0 40 DEAB endogenous,in-man CCOC(=O)c1ccc(NC(=O)Cc2c(C)nn(C)c2C)cc1 10509965 RUBQSPYDUXIKIY-UHFFFAOYSA-N 315.373 2.395 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N3CCC(CF)CC3)nn2)n1 1888844297 RNEFZUCUVLEIBZ-UHFFFAOYSA-N 317.368 2.101 0 40 DEAB Cn1cc(Br)c(C(=O)N2CCc3ccccc3C2)n1 303559 HIHGMWCRUNHTMH-UHFFFAOYSA-N 320.190 2.381 0 40 DEAB Nc1cc(N)nc(SCc2nc(-c3cccs3)no2)n1 8488065 QLJOGDMPAMTEOD-UHFFFAOYSA-N 306.376 2.045 0 40 DEAB CCc1ccc(C(=O)N2CCc3c(CN(C)C)cncc3C2)cn1 1565551484 GEFDCPBEKJPVAQ-UHFFFAOYSA-N 324.428 2.299 0 40 DEAB O=C(COc1ccc(Cl)cc1)Nc1nnc(S)s1 6863353 SCMXJIHYISOPRS-UHFFFAOYSA-N 301.780 2.498 0 40 DEAB c1coc(-c2ccc(N3CCN(Cc4cocn4)CC3)nn2)c1 1775978017 MOAZBSCKTGBQRU-UHFFFAOYSA-N 311.345 2.047 0 40 DEAB COc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1OC 145864 FYVLLWNRDBCKPK-UHFFFAOYSA-N 321.373 2.310 0 40 DEAB Cc1cccn2c(=O)cc(CN3CCOc4ccccc43)nc12 40511277 ZNVXXBKTCPXPOH-UHFFFAOYSA-N 307.353 2.402 0 40 DEAB CCOc1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC 101336448 QMGWBISZNYEEAH-KUDNYVPYSA-N 313.353 2.405 0 40 DEAB O=C(NC1CCCCCC1)c1ccc(F)cc1-n1cnnn1 20730401 BYTZXFWVAOXWRQ-UHFFFAOYSA-N 303.341 2.254 0 40 DEAB CC[C@H](NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1)C(C)C 101789068 SQQAPHFWGNDZPE-LBPRGKRZSA-N 319.430 2.387 0 40 DEAB C[C@H]1C[C@H](OC(=O)CCc2nc3ccccc3s2)C(=O)O1 32736366 BTQAXBROXWBDKE-ONGXEEELSA-N 305.355 2.476 0 40 DEAB COc1ccc(O)c(C(=O)NCC2(N(C)C)CCCCC2)c1 32903686 IBRHFHNZKDNSHF-UHFFFAOYSA-N 306.406 2.395 0 40 DEAB O=C(O)[C@H](NC[C@H]1CCCO1)c1cc(Br)cs1 41678023 IJZVBCVKIOLBRT-PSASIEDQSA-N 320.208 2.405 0 40 DEAB in-vitro Cc1cccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)n1 195658 PIMWDIBOABVKLA-UHFFFAOYSA-N 309.325 2.200 0 40 DEAB CC[C@@H]1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O 218936 OHZVRTJXAUNXNN-AWEZNQCLSA-N 314.341 2.100 0 40 DEAB CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1ccc2c(c1)CCC2 61181333 OCYHWGLGPNDFOH-NSHDSACASA-N 311.403 2.049 0 40 DEAB COc1ccc([C@@H]2CC(=O)Nc3nc(N)sc32)cc1OC 12371267 UWWAEENHWBMAAA-QMMMGPOBSA-N 305.359 2.217 0 40 DEAB CN1C[C@H](NC(=O)c2cccc(Cl)c2Cl)CCC1=O 78841463 AIXLANKSIOQWRY-MRVPVSSYSA-N 301.173 2.344 0 40 DEAB COC(=O)c1cc(F)c(F)cc1NC(=O)Cc1cc(C)on1 78874405 IJJIFKCRXPCONO-UHFFFAOYSA-N 310.256 2.229 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCC(F)(F)F 78868967 ZBMZDIWAUVDDAM-BDAKNGLRSA-N 310.316 2.358 0 40 DEAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCC(=O)N(C)C)C1 78951851 LVGHUHFQOMZARN-SWLSCSKDSA-N 321.396 2.397 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)N2CCC[C@@H](CC(N)=O)C2)s1 78973788 RDIGCVZOKDHUTA-YPMHNXCESA-N 323.462 2.285 0 40 DEAB C=C=CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 2051207 XRNCTMRLXZQGQP-HNNXBMFYSA-N 323.414 2.326 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)N[C@H](C)Cn1cccn1)C2 42368434 BTXFQJCEQQRBBG-DOMZBBRYSA-N 301.415 2.413 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)c2cnc(C)cn2)c1 23099592 CTAMXGRLQTVROB-NSHDSACASA-N 301.346 2.293 0 40 DEAB Cn1cccc1C(=O)NCCNC(=O)CCC1CCCCC1 23003327 AKZXAFNEWUPKOD-UHFFFAOYSA-N 305.422 2.232 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)c1cc2c(F)cccc2s1 42477318 NZGOCQXVFWYUDI-NSHDSACASA-N 306.362 2.439 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)[C@H](O)c2ccccc2)cc1 6923560 CRZOLKWUJOHXED-CJNGLKHVSA-N 305.399 2.395 0 40 DEAB CC(C)C(=O)N[C@H](C)CCN1CCN(c2ccccc2)CC1 42599587 HITLJUALJQLKJJ-MRXNPFEDSA-N 303.450 2.359 0 40 DEAB O=C(O)c1ccc(F)c(NS(=O)(=O)c2ccccc2F)c1 24432868 YVRGFHUIFAOLBA-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB O=C(CN1[C@@H]2CC[C@@H]1CC(O)(c1ccco1)C2)N1CCCCC1 100127735 SHSUDKWAMFHXPR-HUUCEWRRSA-N 318.417 2.107 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)NCCc1ccccc1 100505746 FXAYKETVPJKOOZ-KWRZAIAESA-N 311.381 2.114 0 40 DEAB O=C(c1ccccc1F)N1CCN(c2ccccc2O)CC1 3246657 UPCLOYILAOQBEH-UHFFFAOYSA-N 300.333 2.494 0 40 DEAB Cn1cc(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)cn1 55944964 QBFXUHYQLVLOKV-CABCVRRESA-N 303.337 2.209 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 107509488 BOYGRGNCXMIIPZ-NOLJZWGESA-N 315.417 2.498 0 40 DEAB O=C(Nc1nc2ccccc2[nH]1)c1c[nH]c(C(=O)N2CCCC2)c1 48166959 NYCIESXWCIGXRD-UHFFFAOYSA-N 323.356 2.379 0 40 DEAB Cc1nccc(CNC(=O)NC[C@H]2CCOc3ccccc32)n1 108883650 ZPVOCVNSYAYVKK-CYBMUJFWSA-N 312.373 2.151 0 40 DEAB OC[C@H]1CCCN1c1cc(NCc2ccc(F)cc2)ncn1 75128452 ZGBOZPQFQNCVJH-CQSZACIVSA-N 302.353 2.189 0 40 DEAB CC(C)(C)C(=O)NCCC(=O)Nc1cnc(C(C)(C)C)nc1 58228846 LGWAQIPSJVPROH-UHFFFAOYSA-N 306.410 2.265 0 40 DEAB CCOc1ccccc1-c1cc(C(=O)NC2=NCCS2)n[nH]1 44903234 CCRYPHJSLXGVNH-UHFFFAOYSA-N 316.386 2.308 0 40 DEAB Cc1nc(C(=O)N[C@H](C)[C@@H]2CCCO2)nn1-c1ccc(F)cc1 44912021 CYTKMEBDYGQYOE-YGRLFVJLSA-N 318.352 2.012 0 40 DEAB O=C(Cc1cccc(F)c1F)NCCC(=O)Nc1ccncc1 89768149 BZBXOKOUNDLLBP-UHFFFAOYSA-N 319.311 2.047 0 40 DEAB CCOC[C@@H](C)NC(=O)c1sc(-c2ncccn2)nc1C 58407697 WKGBYYNVAGWXHU-SECBINFHSA-N 306.391 2.063 0 40 DEAB O=C(CC[C@@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 45839032 WDKBTMZVTLUZTE-VIFPVBQESA-N 304.268 2.291 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)NC1CCCCC1 95461074 ZIAAOGCFODKABB-CQSZACIVSA-N 306.410 2.442 0 40 DEAB C[C@H]1CN(c2ncnc3c2cnn3C)C[C@@H](c2ccccc2)O1 63254977 AGRLSQLOVYJPTK-WFASDCNBSA-N 309.373 2.330 0 40 DEAB Cc1ccccc1[C@H](O)CNS(=O)(=O)Cc1ccccc1F 95433109 GQLMOTSLTMCSDU-MRXNPFEDSA-N 323.389 2.287 0 40 DEAB CCOC(=O)NC(=O)COC(=O)c1cc2c(C)cc(C)cc2[nH]1 39536103 OYGOBFYSKBGRIM-UHFFFAOYSA-N 318.329 2.214 0 40 DEAB Cc1nnc2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cn12 65199217 UPYZFUSJDVLRQQ-UHFFFAOYSA-N 324.312 2.117 0 40 DEAB COc1c(CN[C@H](C)C(=O)N2CCCCC2)c(C(C)C)nn1C 65479720 ZGMRXUWHQOBHOS-CYBMUJFWSA-N 322.453 2.043 0 40 DEAB CC[C@@](C)(NC(=O)c1ccc(N2CCC(C)=N2)cc1)C(=O)OC 65578926 NRVUKVVNGDFJJT-QGZVFWFLSA-N 317.389 2.344 0 40 DEAB NC(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1 14830393 JFRMFQQHYOPLON-CQSZACIVSA-N 310.309 2.026 0 40 DEAB COc1ccc([C@@H](C)NC(=O)c2cccc(=O)n2C)cc1F 89904689 DDAQSOPRLWMOIG-SNVBAGLBSA-N 304.321 2.024 0 40 DEAB Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2C)cn1 4985591 VRAWAORUJYXTAZ-UHFFFAOYSA-N 311.385 2.248 0 40 DEAB CCc1nnc2n1C[C@@H](CNc1cnc3ccccc3n1)CC2 71859574 VGNKGRHTXPBRNQ-GFCCVEGCSA-N 308.389 2.458 0 40 DEAB CCCN1CCCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 71853894 UEFRQTXLOUYFSG-UHFFFAOYSA-N 313.401 2.086 0 40 DEAB Cc1c[nH]cc1C(=O)N1CCN(CCOc2ccccc2)CC1 71808689 XCGGJDPWNSPVSV-UHFFFAOYSA-N 313.401 2.160 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)CSc2nnnn2CC)cc1 16460697 GOZQSAKQJWEUPD-LLVKDONJSA-N 319.434 2.225 0 40 DEAB CCOCCNC(=O)NCc1ccc(Br)cc1F 71897624 GHZLFVGKAZDTGJ-UHFFFAOYSA-N 319.174 2.424 0 40 DEAB Cc1nc(N2CCC(C(N)=O)CC2)c2c3c(sc2n1)CCC3 8148865 KETIIJZXNPUHSU-UHFFFAOYSA-N 316.430 2.190 0 40 DEAB COc1cc2nc(-c3cnn(C)c3)cc(C(=O)O)c2cc1OC 69153738 WDQIWHQONYEEFN-UHFFFAOYSA-N 313.313 2.351 0 40 DEAB Cc1nc(NC(=O)CC2CCCCC2)sc1S(N)(=O)=O 69367570 CPHCRWDBCIXMIS-UHFFFAOYSA-N 317.436 2.008 0 40 DEAB CCC(C)(C)NC(=O)COC(=O)c1cccc(NC(C)=O)c1 8372031 JBWULCXEJGFVQM-UHFFFAOYSA-N 306.362 2.107 0 40 DEAB O=C(COCC(=O)Nc1ccc(F)cc1)NCc1cccs1 9668370 IYAWBLVALKSFAT-UHFFFAOYSA-N 322.361 2.159 0 40 DEAB O=C(NCc1cccnc1)[C@H]1CCCN1C(=O)Nc1ccccc1 69974937 QGMGLQRPBTZUQE-MRXNPFEDSA-N 324.384 2.394 0 40 DEAB Cc1cccc2c(=O)n(CC(=O)OCc3ccccc3)cnc12 18397383 KAWODDYWOMAGLM-UHFFFAOYSA-N 308.337 2.448 0 40 DEAB COCCOCC(=O)NCCCO[C@H]1CCCc2ccccc21 70874606 UWXJWBPRTJIVAR-KRWDZBQOSA-N 321.417 2.250 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C)cc1O 8851219 NVOWXYYFRQLRIZ-UHFFFAOYSA-N 313.353 2.482 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N1CCN(C)c2ccncc21 84093849 RLDAHNZJDOMWIQ-UHFFFAOYSA-N 321.377 2.174 0 40 DEAB C[C@@H](N)[C@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 97020532 MOQSMSPTBHPHDB-NOZJJQNGSA-N 306.303 2.393 0 40 DEAB Cc1ccccc1-c1cc(NC(=O)c2nccnc2N)n(C)n1 74286416 QBWHTNANZGTIEI-UHFFFAOYSA-N 308.345 2.020 0 40 DEAB Cc1noc(-c2ccccc2C(=O)OCc2noc(C)n2)n1 95961435 PRYOUNSISKQMQY-UHFFFAOYSA-N 300.274 2.093 0 40 DEAB Cc1sc(CNS(N)(=O)=O)nc1-c1ccc(Cl)cc1 89548314 WRVCERADBFZLRI-UHFFFAOYSA-N 317.823 2.065 0 40 DEAB COc1ccc(C(=O)N2CCc3cc(F)ccc3[C@H]2C)nn1 89941503 NXKIPMWGSOXTNL-SNVBAGLBSA-N 301.321 2.384 0 40 DEAB C[C@H](Oc1ccc(/C=C/c2cc(C(=O)O)ncn2)cc1)C(=O)O 556779472 VCDNKGGTGNWNKA-FWYAXHSGSA-N 314.297 2.197 0 40 DEAB CCN(CC)C(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1 408721963 NJOSTIWMPYAIFW-UHFFFAOYSA-N 323.352 2.364 0 40 DEAB COC(=O)c1sc(NC(=O)CCn2cc(C)cn2)cc1C 78048462 GEXGMNMYTSDFCV-UHFFFAOYSA-N 307.375 2.377 0 40 DEAB COCC[C@H]1CO[C@H]2CN(C(=O)c3cc(F)cc(F)c3)C[C@@H]12 306136811 QDZAJBBIGZRCRM-LKTVYLICSA-N 311.328 2.088 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)OC 6224202 MBCOXNBVPVMNRB-IUODEOHRSA-N 322.405 2.125 0 40 DEAB biogenic C[C@H](c1ccccn1)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 76980849 MHAGFMMWLNMGBY-UKRRQHHQSA-N 302.422 2.268 0 40 DEAB CC(C)C(=O)N1CCN(c2ccc3nc(N)sc3c2)CC1 31894474 OUSIYYKPJUXHNZ-UHFFFAOYSA-N 304.419 2.183 0 40 DEAB O=C(NCc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 34916080 UPDGTEWAWOAXSX-CQSZACIVSA-N 312.344 2.495 0 40 DEAB COCCCn1cnnc1SCc1nc2ccccc2n1C 78552120 QDKLWIRYPFQUKG-UHFFFAOYSA-N 317.418 2.494 0 40 DEAB Cn1ccnc1CN1CCOC[C@H]1c1nc(C(C)(C)C)c[nH]1 72322154 PWCPJPRMLLMNEN-LBPRGKRZSA-N 303.410 2.014 0 40 DEAB biogenic,in-vitro Cc1nnc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccccc2)s1 36359413 CFKZSXOTIITSTE-YPMHNXCESA-N 316.386 2.005 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cn(C)nc1C 72336936 BPXQWOGYQQAEQB-GOEBONIOSA-N 322.416 2.341 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958317 HCSQHDHIBRCQIA-LLVKDONJSA-N 306.337 2.254 0 40 DEAB CCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O 40114105 BOOSLTILJBWMBM-QGZVFWFLSA-N 317.389 2.298 0 40 DEAB CC(C)(C)OC(=O)N1CC(Nc2cnn(CC(F)F)c2)C1 195573163 DUBOKQQJBRWRGX-UHFFFAOYSA-N 302.325 2.179 0 40 DEAB Cn1nnnc1N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 531843447 IPMSEAVNYQCDOF-SECBINFHSA-N 314.176 2.175 0 40 DEAB CCc1cnccc1CNC(=O)N1CCC[C@@H](CC(=O)O)C1 574543870 HSIVSSVZMPXNBW-LBPRGKRZSA-N 305.378 2.040 0 40 DEAB O=C(Cc1noc2ccccc12)NC[C@H](C(=O)O)c1ccccc1 195529846 XCQJIWODGSCHLJ-AWEZNQCLSA-N 324.336 2.355 0 40 DEAB COCCCNC(=O)CSc1ncccc1Br 96411966 RUUQUPXWYKIRFU-UHFFFAOYSA-N 319.224 2.089 0 40 DEAB O=C1CCCN1C[C@H](NC[C@H]1CCCOC1)c1ccccc1 97230636 NDNDPYLPTZCMGM-WBVHZDCISA-N 302.418 2.366 0 40 DEAB Cc1cccn2cc(CC(=O)N3CC[C@H](O)CC34CCC4)nc12 578755952 NQHPZSSHNDCPTB-HNNXBMFYSA-N 313.401 2.091 0 40 DEAB COc1cccc(CN2CCCN(C3CCOCC3)CC2)c1 96415706 COFGVLLIMVHXAF-UHFFFAOYSA-N 304.434 2.382 0 40 DEAB CCS[C@H]1CCC[C@H](NS(=O)(=O)c2cnn(CC)c2)C1 96452727 SUDMIEYHFJHOAI-RYUDHWBXSA-N 317.480 2.246 0 40 DEAB O=C(Nc1ccccc1)[C@H]1C[C@@H]2CN(Cc3cccnc3)C[C@H]1O2 96253389 JWQLPRDNAJTXJL-FGTMMUONSA-N 323.396 2.310 0 40 DEAB Cn1ccnc1CNC(=O)Nc1ccc(F)cc1OC(F)F 96435453 PHJROQBNVPXSJD-UHFFFAOYSA-N 314.267 2.482 0 40 DEAB O=C1CC2(CCCC2)C(=O)N1Cc1ncn(-c2ccccc2)n1 96490191 KABDILTZNAVVST-UHFFFAOYSA-N 310.357 2.087 0 40 DEAB COC[C@](C)(NC(=O)c1cccc(N(C)C)c1)C(F)(F)F 96443219 UTZMUPOLJDMXND-ZDUSSCGKSA-N 304.312 2.450 0 40 DEAB C[C@@H](CNC(=O)N1CCCC2(C1)OCCO2)Cc1cccs1 95453733 KZGDTULIBCQBHM-CYBMUJFWSA-N 324.446 2.475 0 40 DEAB Cn1cc(N2CC[C@@H](NC(=O)CCCC3CCCC3)C2)cn1 96431117 QBEDKABROQFDRW-OAHLLOKOSA-N 304.438 2.476 0 40 DEAB CC(=O)N1CCO[C@@H]2CCN(Cc3ccc(C)s3)CC[C@H]21 96249498 SUJBPLQMHSELMF-HZPDHXFCSA-N 308.447 2.268 0 40 DEAB Cc1ccc(CN2C[C@@H]3C[C@H](CC(=O)NC4CC4)O[C@@H]3C2)s1 96215367 PGWWKKMURCTZFV-JGGQBBKZSA-N 320.458 2.315 0 40 DEAB Fc1cccnc1OC[C@H]1CCOC12CN(Cc1ccco1)C2 247538586 RJPUBEQHGLDFKL-CYBMUJFWSA-N 318.348 2.484 0 40 DEAB Fc1cncc(CN2CCCN(Cc3cncc(F)c3)CC2)c1 253419650 FBJVRFPQLWSNOK-UHFFFAOYSA-N 318.371 2.463 0 40 DEAB O=C(C1CCCCC1)N1CCOC[C@H](Cc2cnccn2)C1 257289473 PYTQEAZDALHFNX-CQSZACIVSA-N 303.406 2.074 0 40 DEAB CCn1cnc2c(N3CCN(c4ccccc4)CC3)ncnc21 299621258 OTEUDQJQHHKPIP-UHFFFAOYSA-N 308.389 2.173 0 40 DEAB Cc1nccnc1CC[C@H]1COCCN1C(=O)c1ccsc1 257251344 JQJMTJZAXLUXIA-AWEZNQCLSA-N 317.414 2.320 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3cnn(C)c3)CC2)cn1 257205731 BAJGJDFVRJIIID-AWEZNQCLSA-N 314.437 2.097 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H](C)OC[C@@H]1CCCO1 69528760 SGLYDYQNDGCAIX-TWMKSMIVSA-N 324.465 2.046 0 40 DEAB O=C(c1cc2cccc(F)c2[nH]1)N1CCOC[C@@H]1c1ccn[nH]1 257236512 HCNHHZPBPWZPIQ-CQSZACIVSA-N 314.320 2.244 0 40 DEAB O=C(O)COc1ccccc1CN1CCC[C@@H]1c1ccncn1 257258000 KRZQKWXOOYFYBS-OAHLLOKOSA-N 313.357 2.277 0 40 DEAB COc1cccc(CCC(=O)N2CCC[C@H]2CC(=O)O)c1F 262901847 ITWIIMAYLBVYBC-LBPRGKRZSA-N 309.337 2.233 0 40 DEAB Cc1ccccc1C(=O)N1C[C@@H]2CCCO[C@@H]2[C@H](N(C)C)C1 585108381 CNRFHIQLBDZSJF-UAGQMJEPSA-N 302.418 2.176 0 40 DEAB Cc1ccc(OC[C@@]2(O)CCN(c3nc(C)cc(C)n3)C2)cc1 585275412 BNSYUAAJHFWQMR-GOSISDBHSA-N 313.401 2.422 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3nnc(C(C)C)o3)C2)n1 69820194 XCQZKCNQCLMANO-AWEZNQCLSA-N 318.425 2.314 0 40 DEAB O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@@H]1Cn1cccn1 71865066 QLQMHLOQPORXEU-WBVHZDCISA-N 311.385 2.268 0 40 DEAB O=C(Nc1ccccc1F)N1CCN(C[C@H]2CCCO2)CC1 57338491 KPUKGEODHAICAA-CYBMUJFWSA-N 307.369 2.154 0 40 DEAB CCNC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O 73035394 JPNGGQFVZRLGTC-NSHDSACASA-N 315.295 2.130 0 40 DEAB CN(CC1CCC1)C(=O)N[C@H](Cn1cncn1)c1ccccc1 96405613 HGKVSAGQOOFLFD-MRXNPFEDSA-N 313.405 2.461 0 40 DEAB O=C(Nc1ccccn1)N1CC[C@H](OCCN2CCCCC2)C1 89883854 FXAYFCXDZYBLOR-HNNXBMFYSA-N 318.421 2.190 0 40 DEAB Cc1nc(CNS(=O)(=O)c2ccc(F)c(F)c2F)cs1 42114343 XMSJLYZAYPEUMA-UHFFFAOYSA-N 322.333 2.347 0 40 DEAB CSc1cccc(NC(=O)Cc2c(C)nc(C)[nH]c2=O)c1 19937456 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310.353 2.351 0 40 DEAB CC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1cc(C)on1 28621858 UVZYBGCFPHDCND-AWEZNQCLSA-N 303.362 2.499 0 40 DEAB Cn1cc(C2CCN(Cc3nnc(-c4ccco4)o3)CC2)cn1 97202765 SZZDEBOSMYFJDG-UHFFFAOYSA-N 313.361 2.443 0 40 DEAB COC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 9113933 IQLBGRJDZQJRKA-UHFFFAOYSA-N 316.382 2.392 0 40 DEAB CC(C)(O)CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 97372261 RPXCXJOBRPQYCQ-UHFFFAOYSA-N 315.204 2.435 0 40 DEAB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2)cn1N 4251825 OJXCVJPJZVHULT-UHFFFAOYSA-N 304.419 2.271 0 40 DEAB N=C1NC(=O)[C@H](CC(=O)Nc2cc(Cl)cc(Cl)c2)S1 6223300 LZFCOGJLCWKGRO-QMMMGPOBSA-N 318.185 2.488 0 40 DEAB CN(CCCNc1ccccc1)C(=O)NC1CCC(O)CC1 65528906 YTHHTIZZHWWHNQ-UHFFFAOYSA-N 305.422 2.434 0 40 DEAB CNC(=O)[C@@H]1CN(C(=O)/C=C/c2ccccc2)c2ccccc2O1 14199851 HEYQGSDAHTYUJM-FLVLSHQESA-N 322.364 2.240 0 40 DEAB COC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2C)CN1 19735869 FGKUOGOMLYRVOK-QWRGUYRKSA-N 314.179 2.040 0 40 DEAB CN(C(=O)c1n[nH]c(=O)c2ccccc12)c1ccc2c(c1)CCO2 95415974 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Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 257202469 ALYUVIDSYIAKSR-LLVKDONJSA-N 311.432 2.348 0 40 DEAB CCCCN(CC)C(=O)/C=C/c1ccc(OCC(N)=O)cc1 52933321 MPUUBGIKDJROAX-DHZHZOJOSA-N 304.390 2.213 0 40 DEAB Cc1ccccc1C1(O)CCN(CC(=O)NCC(C)C)CC1 75923599 OBDYVDQFTBDNIS-UHFFFAOYSA-N 304.434 2.051 0 40 DEAB O=[S@@](CCN1CCC[C@H](c2cc[nH]n2)C1)c1ccccc1 78757415 YZIVBMJFFSFBQQ-LHSJRXKWSA-N 303.431 2.397 0 40 DEAB O=C(CCN1CCO[C@@H]([C@@H]2CCCO2)C1)Nc1cccc(F)c1 89099539 SSOWYENEQPUJEM-JKSUJKDBSA-N 322.380 2.034 0 40 DEAB COc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1-n1cnnn1 97081145 ATXRFNGZOVQSNU-VXGBXAGGSA-N 315.377 2.074 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccon1 97047057 HOESGAOONKMURZ-SECBINFHSA-N 309.728 2.476 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 12895456 PMCPSETUZFFITH-CYBMUJFWSA-N 300.358 2.424 0 40 DEAB biogenic CC(=O)N1CCC[C@H](c2[nH]c3cccnc3c2CN(C)C)C1 19016943 ZAFAKAATFQCINM-ZDUSSCGKSA-N 300.406 2.350 0 40 DEAB Cc1cnc(-c2nnc(CNC(=O)/C=C/c3ccccc3)o2)cn1 19239252 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CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OC(C)C 4853533 BSPYAPYTVFUNQL-UHFFFAOYSA-N 320.320 2.336 0 40 DEAB CC(C)(Br)C(=O)NCCC(=O)Nc1ccccc1 8733006 OBEBAIJLHMHGCM-UHFFFAOYSA-N 313.195 2.305 0 40 DEAB O=C(NCc1ccc(F)cc1)NC[C@H](O)Cc1ccccc1 70639446 IDDMDWMPBMJQJD-MRXNPFEDSA-N 302.349 2.229 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1 5709397 IQYLHGKUJSHJEC-UHFFFAOYSA-N 300.314 2.073 0 40 DEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2nccs2)c1C 40267077 YGDOFAZNORYSPG-UHFFFAOYSA-N 306.376 2.049 0 40 DEAB COCC(=O)N[C@H](C(=O)N1[C@H]2CC[C@H]1c1ccccc12)C(C)C 101248455 FAXZCAKGMQDJLT-ZOBUZTSGSA-N 316.401 2.192 0 40 DEAB Cn1cnc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 21637003 QLSFJQSEMJDOAH-UHFFFAOYSA-N 305.281 2.240 0 40 DEAB Nc1nccnc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 22241578 GKKWUOICZYDCHS-UHFFFAOYSA-N 323.356 2.220 0 40 DEAB Cc1c([C@@H](C)NC(=O)N2CCN(C3CCCC3)CC2)cnn1C 47005941 UBKDKUMGKGBXFI-CYBMUJFWSA-N 319.453 2.059 0 40 DEAB C[C@@H]1CCC[C@@H](OCC(=O)NCc2ccccc2OCCO)C1 79067036 SWYAKMLTQQJSRF-GDBMZVCRSA-N 321.417 2.269 0 40 DEAB O=C(c1cncc(Br)c1)N1CCO[C@H]2CCC[C@@H]21 42291032 YXDBHIHSFKDQNC-RYUDHWBXSA-N 311.179 2.238 0 40 DEAB Cc1cc(C(=O)NC[C@@H](CC(C)C)N2CCOCC2)c(C)o1 22970201 FAYDXTGVWOPQOT-OAHLLOKOSA-N 308.422 2.373 0 40 DEAB NC(=O)c1cccnc1NC[C@@H](c1ccco1)N1CCCCC1 22977034 KKASGDYCLADPOE-AWEZNQCLSA-N 314.389 2.413 0 40 DEAB Cn1cc(CC(=O)NC2CCC(C(=O)O)CC2)c2ccccc21 97018583 IVDHVOVCDTUOIW-UHFFFAOYSA-N 314.385 2.480 0 40 DEAB C[C@H](CCCNC(=O)c1ccco1)CNC(=O)c1ccco1 6795409 GEVLZTMYVZLPCC-GFCCVEGCSA-N 304.346 2.449 0 40 DEAB COc1ccccc1COC(=O)c1ccc(-n2cnnn2)cc1 7250673 JIBMSBJAGPGXNE-UHFFFAOYSA-N 310.313 2.028 0 40 DEAB COC(=O)c1ccoc1COC(=O)c1ccc(OC)cc1OC 24039089 DEAZKWFGUVRMKC-UHFFFAOYSA-N 320.297 2.440 0 40 DEAB COc1cccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 8221533 IVXIGEWUMNIHSN-ZDUSSCGKSA-N 312.369 2.189 0 40 DEAB O=C(NC[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)c1ccco1 8982644 YDJXZRNHUBJQQN-NSHDSACASA-N 302.305 2.202 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)c1 100179309 NQIVTCUMWSFSLH-DACLVMHWSA-N 311.337 2.112 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 95442372 DIHQOAMSRUWXHB-JKSUJKDBSA-N 321.373 2.071 0 40 DEAB CC(=O)c1ccc(C(=O)N2CCC[C@H](c3nncn3C)C2)s1 48262268 XOZWWLMWQHHSPT-NSHDSACASA-N 318.402 2.099 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(Br)cc2O)CCO1 44490252 CBJQHWDZIJWDIL-QMMMGPOBSA-N 300.152 2.016 0 40 DEAB O=C(CCN1C(=O)CCC1=O)Nc1cc(Cl)cc(Cl)c1 21586856 XCPPBIGDMIWTGM-UHFFFAOYSA-N 315.156 2.471 0 40 DEAB CNS(=O)(=O)CCCN[C@H](c1ccc(F)cc1)C(C)C 95350604 MZEWUAGVYMRDAY-AWEZNQCLSA-N 302.415 2.052 0 40 DEAB CC[C@H](c1ccncc1)N(CC)C(=O)N[C@H](C)c1nncn1C 95399970 IFAPJTPZEIELSL-TZMCWYRMSA-N 316.409 2.454 0 40 DEAB Cc1ccc(NC(=O)CN(C)Cc2nnc(C3CC3)n2C)cc1 58368875 HESHBUONPKIUPX-UHFFFAOYSA-N 313.405 2.071 0 40 DEAB O=C(NOCc1ccccc1)c1ccc(N2CCOCC2)cc1 58430507 KAMFILHOBJNRKQ-UHFFFAOYSA-N 312.369 2.385 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100179716 HONQEFYUORJRCP-KPLDXPABSA-N 307.349 2.447 0 40 DEAB C[C@H]1C[C@@H](OC(=O)C2=Cc3cc(Cl)ccc3OC2)C(=O)O1 36396502 OWBFIQPKNYIVEH-ISVAXAHUSA-N 308.717 2.363 0 40 DEAB CCNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 48383504 LBYMQSOSDADMJZ-KBPBESRZSA-N 316.357 2.042 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccccc1 25042878 ZNETXSWVXOTSOG-UKRRQHHQSA-N 324.446 2.002 0 40 DEAB CONC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 110693662 QQNFJUXJFAWURL-VXGBXAGGSA-N 301.749 2.085 0 40 DEAB C[C@H](NC(=O)CO[C@@H]1CCC[C@@H](C)C1)C(=O)NC1CCCC1 95396094 DXRGHRFKKMVSFP-VNHYZAJKSA-N 310.438 2.145 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(-n2cccn2)c1 48550424 AWEXTPOEMBTDPU-ZDUSSCGKSA-N 310.361 2.279 0 40 DEAB COc1ccc(OCCOC(=O)c2ccc(O)cc2O)cc1 3531519 PRMVHLQGFGLIFJ-UHFFFAOYSA-N 304.298 2.342 0 40 DEAB CC[C@H](C)c1csc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)n1 84726961 UFEHAMZOPFDOOK-VHSXEESVSA-N 310.423 2.399 0 40 DEAB O=C1Cc2cc(NS(=O)(=O)c3cc(F)cc(F)c3)ccc2N1 49506681 JPRHOIWDYULDAN-UHFFFAOYSA-N 324.308 2.260 0 40 DEAB O=S1(=O)CCN2C(c3ccccc3Cl)=CSC2=N1 4276598 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COc1cc(CC(=O)OCc2cc(C)on2)cc(OC)c1OC 7755273 IADHYJFMTPKWMO-UHFFFAOYSA-N 321.329 2.295 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N2CCc3ccccc32)nc1 71892334 GSQNXAHGBJKMGV-UHFFFAOYSA-N 324.384 2.491 0 40 DEAB CC(C)c1nc2ccc(NCC(=O)N3CCNC3=O)cc2s1 71833183 FHLCBPBFYYMHPT-UHFFFAOYSA-N 318.402 2.383 0 40 DEAB Cc1nn(C)c(NS(=O)(=O)c2cccc3cccnc23)c1C 71913819 XMCJPELOSHAXGC-UHFFFAOYSA-N 316.386 2.386 0 40 DEAB CC(=O)NCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 8402643 FDJLTNCMZUOWSY-UHFFFAOYSA-N 324.446 2.149 0 40 DEAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nn2cc(C)nc2s1 69667056 DRYVXXNZHZLBMN-QWHCGFSZSA-N 319.434 2.079 0 40 DEAB CCN(C(=O)[C@H]1CCCc2ccccc21)[C@H](C)CS(C)(=O)=O 69740809 WIGGUQQKDVHQAH-CJNGLKHVSA-N 323.458 2.388 0 40 DEAB Cc1ccc(-c2n[nH]cc2CNc2ccc(OCCO)nc2)o1 95436181 VLCGBJVDMLHGFF-UHFFFAOYSA-N 314.345 2.356 0 40 DEAB CC(C)N1CC[C@H](NC(=O)CO)[C@H]1c1ccc(Cl)c(F)c1 110709953 LAENHQULVLWBOP-DZGCQCFKSA-N 314.788 2.111 0 40 DEAB Cc1noc(C)c1C(=O)NCc1ccccc1Cn1ccnc1 95946857 HIHVWGLCUWGVMV-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB CCOc1ccccc1S(=O)(=O)NC(=O)c1cc(C)oc1C 95984719 VJNGVKYQQKXXPI-UHFFFAOYSA-N 323.370 2.414 0 40 DEAB Cc1cc(=O)c(C(=O)N2C[C@@H](C)O[C@H](c3ccccc3)C2)c[nH]1 89568411 MWQSXGZJIDPKDQ-DYVFJYSZSA-N 312.369 2.286 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1F 75110561 NIPYOIWEYTUUDB-RYUDHWBXSA-N 312.410 2.038 0 40 DEAB CCn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2cc(C)ccc21 408713420 YDROCXOAMOVZMA-CYBMUJFWSA-N 314.385 2.239 0 40 DEAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)C(F)(F)F 408537324 ZYHPMJLVLUFAKN-UHFFFAOYSA-N 314.267 2.370 0 40 DEAB CN(C[C@H]1CCCN(CC(=O)O)C1)C(=O)OCc1ccccc1 79413699 CVEMVUCVAHLONE-OAHLLOKOSA-N 320.389 2.052 0 40 DEAB CCN(CC(=O)O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391553 RPDGEZHFRZOVPX-HNNXBMFYSA-N 320.389 2.194 0 40 DEAB CCN(Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 79415794 DXIGMKZFXBROMY-SJORKVTESA-N 303.450 2.093 0 40 DEAB CC(=O)N1CCC[C@@H](c2nc(C)cc(Nc3nncs3)n2)C1 72359975 URGUVVYVTYUBOV-LLVKDONJSA-N 318.406 2.106 0 40 DEAB Cc1nsc(N2CCN(C(=O)CC3=CCCCC3)CC2)n1 74021400 OLVMEXJXXWDMND-UHFFFAOYSA-N 306.435 2.386 0 40 DEAB O=C1S/C(=C/c2ccccc2)C(=O)N1CN1CCOCC1 32252615 KFYDLVGGZHAWDB-JLHYYAGUSA-N 304.371 2.013 0 40 DEAB COC(=O)c1ccc(CCNC(=O)c2ccn(C(C)C)n2)cc1 79038828 VKCYNSUUPGWHPD-UHFFFAOYSA-N 315.373 2.223 0 40 DEAB O=S(=O)(c1ccccc1)[C@@H]1[C@H](CO)[C@H]1c1cccc(F)c1 218569386 KYVOZJXDVMYRLH-BZUAXINKSA-N 306.358 2.374 0 40 DEAB O=C(CN1CCO[C@@H]2CCC[C@@H]21)NCc1ccc(Cl)s1 79354338 FLNKHQVCPABJPQ-NWDGAFQWSA-N 314.838 2.271 0 40 DEAB CC(C)Cc1noc([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2)n1 41122657 LKNLBLWAKFPDMR-CHWSQXEVSA-N 307.394 2.153 0 40 DEAB Cc1nccn1CCCCN1CCOC[C@H]1c1cccn1C 132012473 IVOBDYOJOJQKIS-KRWDZBQOSA-N 302.422 2.384 0 40 DEAB CSCC[C@@H](C(=O)NCCCn1ccnc1)n1cccc1 575443944 APHOMDKFOPFGGA-AWEZNQCLSA-N 306.435 2.185 0 40 DEAB Cc1cccc2nc(CN[C@@H]3CC(C)(C)OC3(C)C)cc(=O)n12 132649558 LASWVWUZVQYMKR-CQSZACIVSA-N 315.417 2.439 0 40 DEAB O=c1ccc(F)cn1Cc1ccn(-c2c(F)cccc2F)n1 190750250 XPEQORXSGWLENC-UHFFFAOYSA-N 305.259 2.500 0 40 DEAB Cc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 222378385 ZYWHXLZVMCTBKH-QQURXWMSSA-N 308.381 2.418 0 40 DEAB Cn1nc(C(F)(F)F)cc1NC(=O)N[C@]12C[C@@H]1COC2(C)C 529130912 QOOZGIHRTKMTBO-JMCQJSRRSA-N 318.299 2.128 0 40 DEAB CCOC(=O)c1sc(NC(=O)c2n[nH]c3c2CCC3)nc1C 88287066 FIRUHBPQUUKKGI-UHFFFAOYSA-N 320.374 2.092 0 40 DEAB CC(C)Cc1ccc(CS(=O)(=O)[C@H](C)c2nnnn2C)cc1 195577224 PILPYNNYCQLDJO-GFCCVEGCSA-N 322.434 2.085 0 40 DEAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C 195558634 OMWABDPAVXOMKW-XQLPTFJDSA-N 310.438 2.301 0 40 DEAB O=C(c1ccccc1)N1C[C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C1 96246145 PHSWNUKETDUKQZ-KSZLIROESA-N 314.429 2.260 0 40 DEAB COc1cc(F)ccc1N(C)S(=O)(=O)N1CCC[C@H](C)C1 96426121 HSEMDVKIMZGKSS-NSHDSACASA-N 316.398 2.247 0 40 DEAB CC(C)c1nc2cc(NC(=O)N[C@H]3CC(=O)N(C)C3)ccc2o1 96410700 KUFYDABQBONRKJ-NSHDSACASA-N 316.361 2.303 0 40 DEAB Cc1csc([C@H]2CN(Cc3cccc(C(N)=O)c3)CCO2)n1 97199627 LDMLJBVDMWWMHT-CQSZACIVSA-N 317.414 2.124 0 40 DEAB O=C(Cn1cccn1)Nc1cccc(CN[C@@H]2CCSC2)c1 96476669 JPHGVTUCOBLREJ-OAHLLOKOSA-N 316.430 2.117 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@H]1NCCc1ccc2c(c1)CCO2 96491657 UNWWRLYPZQYZPA-NVXWUHKLSA-N 323.458 2.109 0 40 DEAB Cn1cncc1CN1CC[C@]2(C[C@H](Nc3ccccc3)CO2)C1 96218813 VUUQRELFKPBGIM-WMZOPIPTSA-N 312.417 2.266 0 40 DEAB Cn1cccc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2c1ccsc1 96055736 SJPVIWFLDMRFJH-GXTWGEPZSA-N 315.398 2.107 0 40 DEAB O=C(C[C@H]1C[C@H]2CN(C3CCC3)C[C@H]2O1)NCc1cccs1 96208432 GWVCDAMJIYLDGM-JGGQBBKZSA-N 320.458 2.396 0 40 DEAB CCCCc1nc(CNc2ccc(-n3cnnn3)c(C)c2)no1 96427411 DVGIDRMXIALXAW-UHFFFAOYSA-N 313.365 2.308 0 40 DEAB C[C@](O)(CNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccs1 96437297 CLXVHDYRJZKLON-CJNGLKHVSA-N 321.373 2.215 0 40 DEAB COCCN(C)c1ccc(CN2CC[C@@H]3OCCC[C@@H]3C2)cn1 248809626 CIUOTKMFCOEOGG-SJORKVTESA-N 319.449 2.165 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)[C@@H]1C 240551670 GVHHFPVSXWTCPN-RYPNDVFKSA-N 320.433 2.103 0 40 DEAB CC(C)C(=O)N1Cc2cccn2C[C@@H](OCc2ccncc2)C1 248175418 VKYRSFQQEOAHFW-QGZVFWFLSA-N 313.401 2.467 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)no1 257292888 QNJFLLKRQJHQJR-GFCCVEGCSA-N 311.345 2.274 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)CCc2ccccc2F)n1 257252154 JTSWVCJMLFXJGI-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB CC(C)N1CCC(Cc2cc(N3C[C@H](C)OC3=O)ncn2)CC1 257284558 PDDBHPQMZHFIIE-ZDUSSCGKSA-N 318.421 2.485 0 40 DEAB O=S(=O)(c1cccnc1)N1CCC[C@H]1CCc1ccncc1 257332568 XXXBAEACVJIJMK-HNNXBMFYSA-N 317.414 2.263 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)n1 257272987 NEUWSJVDJVGCER-CYBMUJFWSA-N 318.446 2.360 0 40 DEAB CC(C)n1nc(C2CC2)cc1CNCCCN1CCOCC1 256052674 OGRFHAVJEQESIJ-UHFFFAOYSA-N 306.454 2.153 0 40 DEAB Nc1cccc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 257224558 FCHIOROQGIVQCU-KRWDZBQOSA-N 323.396 2.366 0 40 DEAB O=C(/C=C/c1ccco1)NCC1CCN(C2CCOCC2)CC1 252549641 RLVNYEABHRGPFY-ONEGZZNKSA-N 318.417 2.300 0 40 DEAB CCO[C@@H]1C[C@](NC(=O)c2ccoc2CC)(C(=O)O)C1(C)C 263538564 PTDIAHWNDRBTPO-WBMJQRKESA-N 309.362 2.230 0 40 DEAB O=S(=O)(C1CC1)N(CCc1ccccn1)Cc1cccnc1 390835634 SXEYEQRQYWOPQQ-UHFFFAOYSA-N 317.414 2.014 0 40 DEAB CCCOc1ncccc1CNC(=O)c1cccnc1S 63821125 RUJGSYKPMHQJPJ-UHFFFAOYSA-N 303.387 2.484 0 40 DEAB COc1ncncc1NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1C=C[C@H]2CC1 296675475 RRMFAACTKGIQBZ-CYDGBPFRSA-N 300.362 2.161 0 40 DEAB CCOC(=O)CN(C(=O)[C@H]1CSCCS1)C(C)(C)C 390835763 XVEYWJSEJKTGDA-SNVBAGLBSA-N 305.465 2.025 0 40 DEAB CC(C)[C@H](C)N(CC(=O)N1CC(=O)Nc2ccccc21)C1CC1 26670818 IAIJGAIKWKYEDY-ZDUSSCGKSA-N 315.417 2.481 0 40 DEAB COc1ccc(F)cc1CN1CCC[C@@H](Cn2cncn2)C1 69870827 VPUPKCCGBXZREQ-CYBMUJFWSA-N 304.369 2.338 0 40 DEAB O=C(NC[C@H]1CCCO[C@H]1c1ccccc1)c1ccc(=O)[nH]c1 72273166 DVMPRLMPPDYSJK-PBHICJAKSA-N 312.369 2.273 0 40 DEAB CNC(=O)COc1c(Br)cccc1Br 49373584 MKFIWAREWNEYJK-UHFFFAOYSA-N 322.984 2.336 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)c1cccc(F)c1 52782230 WHCDESSOTIPBCY-SECBINFHSA-N 311.382 2.216 0 40 DEAB COc1cnc(OC2CCN(Cc3ccc(C)o3)CC2)nc1 1203300363 JAFDPQRCBKPWMX-UHFFFAOYSA-N 303.362 2.430 0 40 DEAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccccn3)cn2)cc1 13806755 KDQPQIKQTUNAHU-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)NCCC1=CCCC1)CC2 164665247 IEQPFDLYIIXIKS-CVEARBPZSA-N 322.449 2.448 0 40 DEAB O=C(O)CC[C@H](NC(=O)c1c(Cl)cccc1Cl)C(=O)O 8628530 DGMFARLQEAXXKN-QMMMGPOBSA-N 320.128 2.041 0 40 DEAB in-vivo CN(Cc1ccnn1C)C(=O)c1cccc(Br)c1 28219692 JZJSUSYRZMINRW-UHFFFAOYSA-N 308.179 2.455 0 40 DEAB COc1cccc(CN2C[C@H]3CN(c4ncccn4)C[C@@H]3C2)c1 1203818806 JYGOQGPGHVGMQE-HOTGVXAUSA-N 310.401 2.053 0 40 DEAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(CC(=O)NC2CCCC2)C1 2087064907 YBQSTTHZGYLNJH-OAHLLOKOSA-N 323.481 2.014 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)Cc1cn2ccsc2n1 30797378 ZMWRMIGJTJZILF-NSHDSACASA-N 300.387 2.343 0 40 DEAB O=C(NCc1cccs1)[C@@H]1CCCN(c2cnccn2)C1 40497546 FZTDBXXPGKWINB-GFCCVEGCSA-N 302.403 2.071 0 40 DEAB COC(=O)Cc1csc(NC(=O)COc2ccccc2F)n1 31764114 GEIUKVOGSXECIG-UHFFFAOYSA-N 324.333 2.015 0 40 DEAB CCCCOC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccccc1 40980415 BBAUFSKHVRPYLV-CQSZACIVSA-N 313.361 2.305 0 40 DEAB C[C@H](Nc1ccc(OC2CCCC2)cc1)C(=O)N1CCNC1=O 32771736 LTNQTNNKLDFWGI-LBPRGKRZSA-N 317.389 2.360 0 40 DEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1snnc1C 41105016 YAGSKSMWLMYVOC-UHFFFAOYSA-N 318.402 2.174 0 40 DEAB Cc1noc(C)c1COC(=O)c1cccc(NS(C)(=O)=O)c1 32950699 ANBYMXOUQFCDKC-UHFFFAOYSA-N 324.358 2.020 0 40 DEAB O=C(C[C@H]1C=CCC1)NCCCS(=O)(=O)Cc1ccccc1 41653803 ZZZUWCPZGDCUGG-HNNXBMFYSA-N 321.442 2.464 0 40 DEAB CNC(=O)CN(C)C(=O)c1ccc2noc(-c3ccccc3)c2c1 61496790 BQSFTRZJNADNDY-UHFFFAOYSA-N 323.352 2.313 0 40 DEAB Cc1cc([C@H]2CCCN(CC(=O)N(C)Cc3ccco3)C2)n[nH]1 78901229 LKDCOWRDXLXOCD-AWEZNQCLSA-N 316.405 2.149 0 40 DEAB Cc1nn(C(=O)c2c(Br)cnn2C)c(C)c1Cl 2747367 FXCVZUZYTODHOQ-UHFFFAOYSA-N 317.574 2.338 0 40 DEAB COc1ccc(Nc2nnc(S[C@H](C)C(N)=O)s2)cc1 3500467 YAOOQDCBNXBNNC-SSDOTTSWSA-N 310.404 2.256 0 40 DEAB COc1ccc(Cl)cc1NS(=O)(=O)c1c(C)n[nH]c1C 3566113 YDAGZHBVTGBYKX-UHFFFAOYSA-N 315.782 2.489 0 40 DEAB O=C(C[C@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc(Cl)c1 4740139 NHLPBNKUCAMFFZ-BFHYXJOUSA-N 321.808 2.068 0 40 DEAB CSc1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1 23635731 SBJHVANJCZUGQG-CQSZACIVSA-N 308.428 2.336 0 40 DEAB Cc1cc(Nc2ccccc2C(=O)O)nc(N2CCOCC2)n1 8702983 XDHVAAXRDPUYIN-UHFFFAOYSA-N 314.345 2.063 0 40 DEAB COCCN1C(=S)N[C@H](c2ccccc2)C(C(=O)OC)=C1C 8983036 CISFLRRVTODPON-CQSZACIVSA-N 320.414 2.011 0 40 DEAB CCC(=O)Nc1nc2ccc(NC(=S)NC(C)=O)cc2s1 59294359 DWNLGLQWSWKCNS-UHFFFAOYSA-N 322.415 2.478 0 40 DEAB CCc1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cnn1-c1ccccn1 48072825 RNNBFGKHFBVOLY-CHWSQXEVSA-N 314.389 2.079 0 40 DEAB Cc1cccc(C(=O)OCC(=O)N2C[C@@H](C)C[C@H](C)C2)c1O 3253896 CSHGWIZYYHIDEZ-RYUDHWBXSA-N 305.374 2.362 0 40 DEAB Cc1ccc(NC(=O)N2CCOCC2)c(OC[C@@H]2CCCO2)c1 56515320 WZPQRLFARSBHSQ-AWEZNQCLSA-N 320.389 2.417 0 40 DEAB CCC[C@H](C)C(=O)OCC(=O)NCc1ccc(OC)c(OC)c1 3256072 BBBDBTIKIOOMQI-LBPRGKRZSA-N 323.389 2.299 0 40 DEAB Cc1c(S(=O)(=O)c2ccccc2)c(N)n(CCN(C)C)c1C 1654688 UBZNRZZDKFWRFR-UHFFFAOYSA-N 321.446 2.082 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1C 12621127 AMQFSVREPWRWJE-HUUCEWRRSA-N 312.369 2.193 0 40 DEAB C[C@@H](CNC(=O)CCOCc1ccccc1)Cn1cccn1 58216440 OAAXGBAATRIQPF-HNNXBMFYSA-N 301.390 2.242 0 40 DEAB O=C(NCCCOc1ccc(F)cc1)NCc1ccccn1 58216777 ORVFDOXTAMNQGZ-UHFFFAOYSA-N 303.337 2.489 0 40 DEAB Cc1ccc(CN(CCN(C)C)C(=O)Nc2nncs2)o1 44973399 KTHVDDHAXVMSLK-UHFFFAOYSA-N 309.395 2.035 0 40 DEAB CCc1cc(C(=O)N(CC)[C@H]2CCS(=O)(=O)C2)sc1C 58308870 UXRJBWMFCYXHNF-LBPRGKRZSA-N 315.460 2.268 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)cc1 107226460 BLLLVAZJEIVAGU-AEFFLSMTSA-N 310.401 2.322 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c(C)c1 36297590 FNPYSLCVXXGSRT-OAHLLOKOSA-N 304.415 2.282 0 40 DEAB in-vitro CC1=CC[C@@H]2C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 106709496 JNODLZWVYHTQEH-QWHCGFSZSA-N 318.760 2.326 0 40 DEAB CC(C)NC(=O)c1cn(C)nc1-c1ccc2c(c1)OCCCO2 28645971 LOHNQCYGEVMIRJ-UHFFFAOYSA-N 315.373 2.387 0 40 DEAB C[C@H](NC(=O)N[C@H](C)Cc1ccc(Cl)cc1)c1nncn1C 45608970 YNUGDXBJDKKOQI-MNOVXSKESA-N 321.812 2.460 0 40 DEAB CCOC(=O)CNC(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 2663420 VUDTZTZHLRIMTC-UHFFFAOYSA-N 324.724 2.075 0 40 DEAB CCCNC(=O)c1c(NC(=O)c2ccc(C)cc2)cnn1C 2796044 GJEHFVUQWMDJQP-UHFFFAOYSA-N 300.362 2.121 0 40 DEAB Cc1cc(NC(=S)NC(=O)c2ccco2)cc(C(=O)O)c1O 20152416 ZQBCPRCSILOPFR-UHFFFAOYSA-N 320.326 2.119 0 40 DEAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 3548029 IXBOMYLRXCNGFP-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)c1cccc(C)c1 3621796 PDRBRVAMVPVXNW-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB Cc1nnc(-c2ccccc2NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)o1 71285510 ZPNIIJWHFZXZBC-NEPJUHHUSA-N 315.329 2.340 0 40 DEAB C[C@@H](N)[C@H]1CCCCN1C(=O)c1cc(Br)cn1C 63192907 PZBLPJYGQKHBRK-MWLCHTKSSA-N 314.227 2.130 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1nc2ccccc2s1 95361067 BETHBAWHUQYYFT-ZJUUUORDSA-N 318.402 2.414 0 40 DEAB NC(=O)[C@@H](OC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 14075951 NSBGWFJTIGWXGO-KRWDZBQOSA-N 308.337 2.480 0 40 DEAB COc1cccnc1NC(=O)c1ccc(N2CCOC2=O)cc1 65552228 HYLFDEGAGXJKDI-UHFFFAOYSA-N 313.313 2.299 0 40 DEAB CC(C)(C(=O)N1CCC[C@@H](n2cccn2)C1)n1cc(Cl)cn1 65625520 DUSUGGWFXWNLMW-CYBMUJFWSA-N 321.812 2.332 0 40 DEAB c1ccc(-n2nnnc2SCn2nnc3ccccc32)cc1 4813602 JAXZRJVOGNKSPP-UHFFFAOYSA-N 309.358 2.157 0 40 DEAB CCCN(CC1CC1)C(=O)COC(=O)c1n[nH]c2ccccc12 5826821 IYVLXOHLUSEHDG-UHFFFAOYSA-N 315.373 2.368 0 40 DEAB C[C@H](SCc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)O 6941350 UIAYEARLFBCDER-ZETCQYMHSA-N 309.303 2.351 0 40 DEAB O=C(O)c1nnn(-c2cc(F)cc(F)c2)c1-c1ccncc1 67323699 LHHJIISYFDLBSB-UHFFFAOYSA-N 302.240 2.306 0 40 DEAB in-vitro O=C(Nc1cnc(C2CC2)nc1)N1CC[C@H](CN2CCCC2)C1 96491431 CKUWLLJEVZFIHD-CYBMUJFWSA-N 315.421 2.304 0 40 DEAB CC[C@@H](C)c1csc(NC(=O)N[C@H]2CCC(=O)N(C)C2)n1 84726965 UFEHAMZOPFDOOK-ZJUUUORDSA-N 310.423 2.399 0 40 DEAB CC(C)(C)NC(=O)CSCc1nc2ccsc2c(=O)[nH]1 9514699 NFLUAKGZPCWWIG-UHFFFAOYSA-N 311.432 2.133 0 40 DEAB CC(=O)N1CSC[C@@H]1C(=O)N1CCc2cc(F)ccc2[C@@H]1C 84718169 JWTVAQNXYPTICV-ZUZCIYMTSA-N 322.405 2.193 0 40 DEAB CS(=O)(=O)Nc1cc(F)ccc1NC(=O)C1CCCC1 91160928 GWBJGEWWTQNBAF-UHFFFAOYSA-N 300.355 2.326 0 40 DEAB Cc1cnn(C2CN(Cc3nnc(Cc4ccccc4)o3)C2)c1 71876851 PDJYBIMHTXOJCF-UHFFFAOYSA-N 309.373 2.222 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C1CCCCC1 71818172 HUUANIGGYKJHEQ-HIFRSBDPSA-N 313.463 2.383 0 40 DEAB Cc1ncc2c(n1)CN(Cc1nnc(Cc3ccccc3)o1)CC2 69451520 LKUKFVPBTUMKRS-UHFFFAOYSA-N 321.384 2.317 0 40 DEAB CCCC(=O)N(C)CC(=O)Nc1ccc(Br)cn1 69583205 KROSYEASHKGQGD-UHFFFAOYSA-N 314.183 2.041 0 40 DEAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)nc2c1 69810808 FXDWDMOAHQHOPX-CQSZACIVSA-N 309.373 2.144 0 40 DEAB c1ccc(-n2ccc(CN3CCC[C@H](Cn4cncn4)C3)n2)cc1 69849454 HLMXJMVLEUFFKS-INIZCTEOSA-N 322.416 2.376 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCc1ccccn1 69928387 VZJMTMLZRSFWNT-IRXDYDNUSA-N 301.434 2.490 0 40 DEAB CCN1CCCC[C@H]1CNc1ccc2nnc(C3CC3)n2n1 95408837 QNQNLGYQHGUBIM-ZDUSSCGKSA-N 300.410 2.288 0 40 DEAB COc1ccc(OC)c(CCC(=O)N2CCCC[C@@H]2C(=O)O)c1 95424220 ASVMJTVUXXIIOI-CQSZACIVSA-N 321.373 2.102 0 40 DEAB CO[C@H](C)C(=O)NCCNc1cccc(Br)c1 97048680 XDRRAVQVSHXEQZ-SECBINFHSA-N 301.184 2.012 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)COCCc2ccccc2)no1 72299027 QMCKCCVYAJXRMD-HNNXBMFYSA-N 315.373 2.301 0 40 DEAB CCCc1c(C(=O)N[C@@H](C)CCN(C)C)[nH]c(C)c1C(=O)OC 72281873 NBYSJCHSICHIBP-NSHDSACASA-N 323.437 2.132 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CC[C@](O)(C(F)(F)F)C1 72294405 JPZQDNZBEBYRFR-CQSZACIVSA-N 312.291 2.236 0 40 DEAB CC(C)Cn1cnc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)c1 72312878 WVBZLPPMJJCGHU-UHFFFAOYSA-N 319.390 2.216 0 40 DEAB CNC(=O)[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=S)oc3c2)C1 74366072 JRPYECYEJZVNQD-SNVBAGLBSA-N 319.386 2.089 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1cc(F)ccc1Br 89938369 NGIUIECJEHLVRW-SECBINFHSA-N 315.186 2.364 0 40 DEAB Cc1n[nH]c([C@H]2CN(C(=O)c3cc(C)sc3C)CCO2)n1 76044880 ZCKXZBBRKMCDJF-GFCCVEGCSA-N 306.391 2.005 0 40 DEAB COc1ccc(CCC(=O)NCCCN2CCCC2)cc1OC 22524111 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DEAB CNC(=O)Cc1noc(C[C@@H]2CCCc3cc(OC)ccc32)n1 89386230 NBWZPKRZWMGVCB-LBPRGKRZSA-N 315.373 2.029 0 40 DEAB C[C@H](NC(=O)[C@H]1CCC(=O)N1)c1ccc(-c2cccnc2)cc1 75092004 NROLDKOEQKITCI-BLLLJJGKSA-N 309.369 2.204 0 40 DEAB O=C1C[C@]2(CCSC2)C(=O)N1Cc1cnc(Cl)s1 89739094 CAVKPEYXXWNDCX-NSHDSACASA-N 302.808 2.179 0 40 DEAB CC1(C)CN(C(=O)Nc2ccc3c(c2)CCCO3)CC[S@@]1=O 89919630 UJTDWAJXVSQQGO-JOCHJYFZSA-N 322.430 2.386 0 40 DEAB CCO[C@@H]1C[C@@H](OC(=O)[C@@H]2CCN(C)C(=O)C2)C1(CC)CC 89948086 RWVFOIOPWNSSQY-MGPQQGTHSA-N 311.422 2.382 0 40 DEAB O=C(O)c1ccccc1-c1ccc([C@@H]2NC[C@H](C(=O)O)S2)o1 408975330 AIZABBNEXDLDDS-CHWSQXEVSA-N 319.338 2.433 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2cccc(C)c2)cc1 72333890 VXZUAIDRMHMJBW-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)[C@H]1CCS(=O)(=O)C1 39527366 NNSBZPQMAPQSRQ-JQWIXIFHSA-N 313.444 2.019 0 40 DEAB CS[C@H]1CC[C@@H](N(C)Cc2cc(=O)n3ccccc3n2)C1 72794520 PWGFNXILOHDUAY-KGLIPLIRSA-N 303.431 2.410 0 40 DEAB CC(C)N(CCN)C1CCN(C(=O)OCc2ccccc2)CC1 79391832 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c1ccc(O[C@@H]2CO[C@@]3(CCN(Cc4nccs4)C3)C2)nc1 96107651 JWYZBQRGIRWSSE-BBRMVZONSA-N 317.414 2.351 0 40 DEAB O=C1C[C@@]2(CCN(C(=O)Nc3ccnnc3)C2)Oc2ccccc21 578334078 USTYMZFLTAXNQO-QGZVFWFLSA-N 324.340 2.118 0 40 DEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@@H]1c2ccccc2C[C@@H]1O 96449492 AYEIGOLBNLWEME-CMKODMSKSA-N 323.392 2.465 0 40 DEAB c1ccc(CN2CCCn3nnc(COCC4CC4)c3C2)nc1 96058846 SPEKGJGTWKZHBH-UHFFFAOYSA-N 313.405 2.006 0 40 DEAB COC(=O)c1ccc2c(c1)ncn2CCNC(=O)OC(C)(C)C 95215907 RFVDDOHHDHKXIA-UHFFFAOYSA-N 319.361 2.348 0 40 DEAB COC(=O)c1sccc1CN1CCN(c2ccncc2)CC1 96473698 RSYOCOXKOMKKDU-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB CCc1ccc([C@@H]2COCCN2c2cc(Cl)nc(N)n2)o1 96453867 FWEIELHFFKUQFN-JTQLQIEISA-N 308.769 2.446 0 40 DEAB CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 97953600 NWEYDZJOTSJOBT-BZSNNMDCSA-N 316.445 2.233 0 40 DEAB CSC[C@H](C)NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 96436836 NCJACHOHAAWELJ-HOCLYGCPSA-N 322.474 2.145 0 40 DEAB C[C@H](CCOc1ccccc1)C(=O)N1CC[S@](=O)[C@H](C)[C@H]1C 248158830 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COc1ccc(CCCCNC(=O)N2CCC[C@@H](O)C2)cc1 84906803 VMBOAJJNYGULEF-OAHLLOKOSA-N 306.406 2.184 0 40 DEAB O=C(O)c1c(C(F)(F)F)nc(C(F)(F)F)c(C(=O)O)c1O 91252445 FXFHHRCPBHTTJX-UHFFFAOYSA-N 319.113 2.221 0 40 DEAB O=C(NC[C@@H]1CCCC[C@@H]1O)c1cccc(-c2nnco2)c1 95996856 YTVDDWXITSKLSE-KBPBESRZSA-N 301.346 2.018 0 40 DEAB O=c1nc(NCc2ccco2)[nH]nc1Cc1ccc(F)cc1 16806899 UJYGNXLVDWXCHB-UHFFFAOYSA-N 300.293 2.100 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccnc3ncnn23)cc1 19209577 UOFMLZNFLVUEET-OAHLLOKOSA-N 321.384 2.339 0 40 DEAB Cc1onc(C(=O)N[C@H](C)c2ccccn2)c1Cn1cccn1 19658281 QZSYMMYKEKIPMJ-LLVKDONJSA-N 311.345 2.114 0 40 DEAB O=c1c2ccccc2nnn1Cc1cn2cc(Cl)ccc2n1 5187021 YCVYZVYJLNXUBT-UHFFFAOYSA-N 311.732 2.141 0 40 DEAB Cc1nsc(N2CC[C@@H](COc3ccc(C4CC4)nn3)C2)n1 1888843534 PAACOYDACUYFNL-LLVKDONJSA-N 317.418 2.419 0 40 DEAB CCC[C@@H](C)NC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 21931562 BAIRJWOGHAHWJA-OLZOCXBDSA-N 317.389 2.149 0 40 DEAB Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)no1 11613068 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CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)C1CCC1 12183367 IYBXNJZROPLUII-OAHLLOKOSA-N 303.406 2.062 0 40 DEAB COc1ccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1OC 14121067 JLDPFWXGGBRSDY-XQQFMLRXSA-N 322.405 2.140 0 40 DEAB COc1ccc(OC)c(Nc2c3c(nc4ncnn24)CCC3)c1 15786679 XBRZGRPGENQEGH-UHFFFAOYSA-N 311.345 2.374 0 40 DEAB O=C(Cn1ncn(-n2cccc2)c1=S)Nc1ccc(F)cc1 16806952 YWRJTAXIBFJPHP-UHFFFAOYSA-N 317.349 2.305 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1cccc(F)c1Br 169181468 URLCDXIIWIEZBG-ZANVPECISA-N 302.187 2.491 0 40 DEAB Cc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)o1 9836106 FQADNMLYSXOGEH-UHFFFAOYSA-N 314.370 2.373 0 40 DEAB CC1CCN(C[C@H]2CCCN(C(=O)Nc3cnn(C)c3)C2)CC1 103233525 JILIAONTWYFMLL-OAHLLOKOSA-N 319.453 2.396 0 40 DEAB CCc1noc(C)c1C(=O)O[C@@H](C(N)=O)c1ccc(F)cc1 10320129 LXULOCZAPGGXLS-CYBMUJFWSA-N 306.293 2.068 0 40 DEAB COc1ccccc1N1CCN(c2nc3cccnc3n2C)CC1 1888899208 JEDFPFQTWFTFNZ-UHFFFAOYSA-N 323.400 2.304 0 40 DEAB COC(=O)[C@@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)cc1 85413443 ZIDSDMVIJGGWPC-UKRRQHHQSA-N 316.309 2.023 0 40 DEAB COc1ccc(CN2CCN(Cc3coc(C)n3)C[C@H]2C)cn1 2086918817 NMXHTGGYXMXJNL-CYBMUJFWSA-N 316.405 2.093 0 40 DEAB O=c1oc2ccccc2cc1S(=O)(=O)N1CCCCCC1 15862214 ZGHMPABKPYFSOE-UHFFFAOYSA-N 307.371 2.358 0 40 DEAB Cc1ccccc1CCC(=O)NCCCc1cnc2ncnn2c1 225643548 DYIMFUICVYZZOK-UHFFFAOYSA-N 323.400 2.114 0 40 DEAB O=C(CN1CCN(c2ccccc2F)C1=O)Nc1nccs1 49026167 SRRBMSBTCPHNJJ-UHFFFAOYSA-N 320.349 2.163 0 40 DEAB Cc1ccc(S(=O)(=O)NCC(=O)Oc2ccccc2C)cc1 17050902 BPYQNHXHLLRDFR-UHFFFAOYSA-N 319.382 2.187 0 40 DEAB Cn1cc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)cn1 25308457 PBHISWIXPKQTNW-ZDUSSCGKSA-N 301.346 2.230 0 40 DEAB COCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50081852 JXFSSUQVYXOAEJ-BETUJISGSA-N 307.394 2.068 0 40 DEAB C[C@@H](NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1 20292769 UGBYCFJSTVKIHO-GFCCVEGCSA-N 300.333 2.433 0 40 DEAB CC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 178460 IUVQGIMVQBHNRD-UHFFFAOYSA-N 309.369 2.368 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1cc2c(cc1F)CCC(=O)N2 32047485 QOVFHAIPLSYDHS-UHFFFAOYSA-N 317.320 2.496 0 40 DEAB O=C(O)CNC(=O)Cc1csc(-c2ccccc2Cl)n1 20727075 MARDHCNJOZECDZ-UHFFFAOYSA-N 310.762 2.207 0 40 DEAB CC1(CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)COC1 102320133 PBYWDXZNZNNRJW-LALPHHSUSA-N 301.452 2.157 0 40 DEAB COc1cc2nc(CN3CCCC[C@H]3C)[nH]c(=O)c2cc1OC 21848399 BIQNUTBUFXWOHA-LLVKDONJSA-N 317.389 2.315 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCc3ccc(O)cc3C2)n1 52866834 NODVHEMIKGTYRC-UHFFFAOYSA-N 315.373 2.416 0 40 DEAB COc1cccc([C@@H](C)CC(=O)NC(C)(C)C(=O)N(C)C)c1 84542794 WHVQJIYACGMRBG-LBPRGKRZSA-N 306.406 2.172 0 40 DEAB CCCn1nnnc1NC(=O)COc1cccc2ccccc12 569550 JBBBJNWBCQACDJ-UHFFFAOYSA-N 311.345 2.254 0 40 DEAB CCn1ncc2c1CCC[C@@H]2NCc1ccc(C(=O)NC)cc1 72298394 KRHXPXDVGAZKHH-INIZCTEOSA-N 312.417 2.430 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 71185217 SFERJSQHVUWVSV-MFKMUULPSA-N 324.783 2.420 0 40 DEAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](CO)CC(C)C 78601207 HYLXLNVWNOQQJJ-AWEZNQCLSA-N 321.421 2.225 0 40 DEAB O=C(Cc1csc(-n2cccc2)n1)NCCc1ccccn1 79501480 ZVOLZMQLXDLKCV-UHFFFAOYSA-N 312.398 2.230 0 40 DEAB COC1CCN(C(=O)CC[C@@H]2Cc3ccccc3NC2=O)CC1 55208542 QUDOBVTXGZSNGE-CQSZACIVSA-N 316.401 2.215 0 40 DEAB Cc1cc(C)nc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c1 97143013 CMWHYGMLVWNTNL-INIZCTEOSA-N 324.384 2.403 0 40 DEAB O=C(NCc1nncn1-c1ccccc1)Nc1ccncc1F 97135836 IBKKUYBDXKRHEL-UHFFFAOYSA-N 312.308 2.123 0 40 DEAB CC[C@H](C(=O)N[C@@H](C)[C@H](C)Oc1ccccc1)N1CCCC1=O 108090074 NIPCIGVSIRKVME-OFQRWUPVSA-N 318.417 2.360 0 40 DEAB C[C@@H]1c2ccsc2CCN1CC(=O)NC(=O)NC1CCCC1 57389709 OOKAWLHTUNAPPR-LLVKDONJSA-N 321.446 2.436 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N2CCN(c3ccccc3)CC2)no1 57352468 NRXCRIFHPDKHRI-AWEZNQCLSA-N 314.389 2.132 0 40 DEAB COC(=O)[C@@H]1CCC[C@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 108391630 WSCSMSUBZCGVKP-CABCVRRESA-N 316.401 2.141 0 40 DEAB C[C@H](c1ccccc1)N1C(=O)C(=O)N(C[C@H]2CCCCO2)C1=O 27291146 IDFDALDNHVJCRF-TZMCWYRMSA-N 316.357 2.108 0 40 DEAB CC1CCN(S(=O)(=O)CCn2cnc3ccccc32)CC1 10237760 LKFSURDIPIXNKC-UHFFFAOYSA-N 307.419 2.098 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(-n3cccn3)cc2)c1 44977764 LMXRWHCUIJAKND-UHFFFAOYSA-N 308.341 2.333 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)C[C@H]1CCOc2ccccc21 95424203 DDFIFMZSRIRIMM-TZMCWYRMSA-N 303.358 2.409 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1cc(F)cc2[nH]cnc12 95429925 WOHFHMNYEVXSJA-GDBMZVCRSA-N 311.316 2.090 0 40 DEAB O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCCC2(C1)OCCO2 95443530 YZCLNSDJLYRGKV-STQMWFEESA-N 323.339 2.434 0 40 DEAB Cc1ccc(N(CC(=O)NC2CCCCC2)S(C)(=O)=O)cc1 3304597 LPBIYGIEYFCAAF-UHFFFAOYSA-N 324.446 2.210 0 40 DEAB O[C@H](CNC[C@H]1Cc2ccccc2O1)c1ccc2c(c1)OCO2 48346016 XNHIJQSOYQUIGC-HUUCEWRRSA-N 313.353 2.042 0 40 DEAB CN(Cc1ccc(Cl)cc1Cl)c1ccc2nnnn2n1 12882249 ZMJHHUQIWWKERN-UHFFFAOYSA-N 309.160 2.463 0 40 DEAB Cc1cccc(NC(=O)[C@H](C)N2CCC(C(=O)N(C)C)CC2)c1 12851847 IYYYJUORLCNUSJ-AWEZNQCLSA-N 317.433 2.122 0 40 DEAB CC(C)C[C@@H](C)OCCC(=O)N[C@@H](C)c1nnc2n1CCC2 95410105 DSNVURBDYQHKTG-OLZOCXBDSA-N 308.426 2.243 0 40 DEAB NC(=O)NC1CCN(Cc2c(F)cccc2N2CCCC2)CC1 93051919 VVSICKFWXDQKRA-UHFFFAOYSA-N 320.412 2.059 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)Nc1ccc(F)c(F)c1)CS2 12931521 ITRAWXKGTWKPBT-RISCZKNCSA-N 312.341 2.357 0 40 DEAB Cn1c2ccc(F)cc2c2ncn(Cc3ccccn3)c(=O)c21 13207023 ZQOZCNMURANAKM-UHFFFAOYSA-N 308.316 2.471 0 40 DEAB CCn1ncc2c(C(=O)N[C@H](C)CO)cc(-c3ccccc3)nc21 97204488 BCBKFBPRPQECCM-GFCCVEGCSA-N 324.384 2.229 0 40 DEAB COc1ccc2c(=O)c(C(=O)N3CCCSCC3)c[nH]c2c1 63760783 DWJAFZCTARJEDG-UHFFFAOYSA-N 318.398 2.116 0 40 DEAB CC[C@H]1CCCCN1C(=O)Cn1nnc(-c2cccc(F)c2)n1 5088951 VOCDYNPZLOKPRM-AWEZNQCLSA-N 317.368 2.270 0 40 DEAB C[C@@H](OC(=O)c1ccccc1Br)C(=O)NC1CC1 5059199 MEQZHLFVKBKEIJ-MRVPVSSYSA-N 312.163 2.273 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](NC(C)=O)C(C)C 39983217 HSMNYKCFNWIEIY-BLLLJJGKSA-N 306.406 2.342 0 40 DEAB Cc1nccn1C[C@H](C)CNC(=O)NC[C@]1(C)CCCS1 95412449 VHGFWFVFUXRVBV-DOMZBBRYSA-N 310.467 2.413 0 40 DEAB O=C(c1cnccn1)N1CCN(c2cccc(Cl)c2)CC1 5394792 LQVNVZMNDLMADV-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB COc1ccccc1C(=O)N1CCN(C(=O)c2ccccc2)CC1 5421970 MXBRUXRRPQEYGY-UHFFFAOYSA-N 324.380 2.293 0 40 DEAB COc1ccc(CNC(=O)c2cn(C)c(=O)c3ccccc23)cc1 6724557 VMEYJUUOJLTZCD-UHFFFAOYSA-N 322.364 2.477 0 40 DEAB biogenic O=C1CCCCCCCCC(=O)OCCOCCOCCO1 4863091 ISIFSGVPPMCMGU-UHFFFAOYSA-N 316.394 2.240 0 40 DEAB CCOc1ncccc1C(=O)OCC(=O)N1[C@H](C)CCC[C@H]1C 4978730 GTMYEOQPMFQZIO-CHWSQXEVSA-N 320.389 2.427 0 40 DEAB COC(=O)c1occc1CN1CCC[C@H](Cc2nccn2C)C1 90004029 ZFFHOGOPQPXCQT-CYBMUJFWSA-N 317.389 2.254 0 40 DEAB COc1ccc(C(=O)Nc2ccn(C)n2)cc1Br 15566145 RTWUXUBIDMXQOJ-UHFFFAOYSA-N 310.151 2.444 0 40 DEAB O=S(=O)(c1ccccc1F)N1CCC(Cn2ccnc2)CC1 90470307 IPOUTDHZAYHRBJ-UHFFFAOYSA-N 323.393 2.123 0 40 DEAB CCCN(CCO)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 68046021 LINPGTIMZINRHF-BBRMVZONSA-N 315.841 2.483 0 40 DEAB CCCn1c(S[C@H](C)C(=O)c2ccc(F)cc2)n[nH]c1=O 7532041 PUZZZXYLZKRJKW-SECBINFHSA-N 309.366 2.484 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)NCCCn2ccnc2)cc1C 8017535 XTLHASYNFXWAFH-HNNXBMFYSA-N 301.390 2.474 0 40 DEAB CCOC[C@H](C(=O)OC)N(C)C(=O)C[C@H](C)c1ccccc1 84801154 UHICROQBKXOOKJ-DZGCQCFKSA-N 307.390 2.217 0 40 DEAB Cc1cc(C)c(C)c(OCCC(=O)NCC(C)(C)C(N)=O)c1 71884554 JHPCVGOGRIZVRB-UHFFFAOYSA-N 306.406 2.008 0 40 DEAB C[C@@H]1CC(=O)NCCN1c1ncnc2sc3c(c12)CCCC3 71889388 QYOUWXCBAZMVCK-SNVBAGLBSA-N 316.430 2.285 0 40 DEAB Cc1nc(CC(=O)NCc2ccnc(OCC3CC3)c2)cs1 71889658 LIKQSLOKHLMKTD-UHFFFAOYSA-N 317.414 2.494 0 40 DEAB Cc1nnc(CSc2nnc(Cc3cccs3)n2C)o1 8752453 YBLBAJOSYRDCNI-UHFFFAOYSA-N 307.404 2.451 0 40 DEAB O=C(CSc1ccccc1F)NC[C@H]1CC(=O)N(C2CC2)C1 97079981 GFBZACUUYUOAMR-LLVKDONJSA-N 322.405 2.045 0 40 DEAB O=C(NCc1ccco1)Nc1ccccc1CN1CCNC1=O 97049331 GZUHTDNGLVEEAV-UHFFFAOYSA-N 314.345 2.127 0 40 DEAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H](n3cncn3)C2)c(C)o1 72235082 AERQPKKWZQTKAC-OCCSQVGLSA-N 302.378 2.455 0 40 DEAB CCn1cc(C(=O)N[C@H](C)COC)c(=O)c2cc(C)ccc21 22234748 GDOWSBDGPOFQDB-GFCCVEGCSA-N 302.374 2.095 0 40 DEAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CSCC(N)=O)o1 76068531 XSFQQHDBWJBPGX-JQWIXIFHSA-N 310.419 2.106 0 40 DEAB CCCc1n[nH]c([C@H]2CN(C(=O)c3cc(C)oc3C)CCO2)n1 76045801 YHMAMYASVNRDAU-CYBMUJFWSA-N 318.377 2.181 0 40 DEAB CS[C@@H]1CCCC[C@H]1NC(=O)NCCCc1nc(C)no1 76018888 HNHYARVCQFOJSN-VXGBXAGGSA-N 312.439 2.284 0 40 DEAB Cc1cccc(CN2CCN(c3nccn4ccnc34)CC2)c1 306123111 AEOBMRLNXSJCJY-UHFFFAOYSA-N 307.401 2.360 0 40 DEAB C[C@@H](C(=O)Nc1cc(C2CC2)[nH]n1)n1ccc2ccccc2c1=O 554516080 MHXBMJKNQVKFIW-NSHDSACASA-N 322.368 2.802 0 40 DEAB CN1CCC(N2CCOC[C@H]2c2nc(C(C)(C)C)c[nH]2)CC1 72322143 UIAGCHPBLAHSKS-AWEZNQCLSA-N 306.454 2.175 0 40 DEAB biogenic,in-vitro CN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@H]1NCC(=O)O 79413738 BBCAOOTWYZVDKY-HUUCEWRRSA-N 320.389 2.240 0 40 DEAB C[C@H]1C[C@H](Nc2ccc(CCN3CCSCC3)cc2)C(=O)O1 79030215 WQIAJSZZQNOLAM-BBRMVZONSA-N 320.458 2.394 0 40 DEAB O=C(O)CCc1cncc([C@@H]2CN(c3ccccc3)CCO2)n1 72382782 NOBYBWZATWOELR-INIZCTEOSA-N 313.357 2.072 0 40 DEAB CS[C@H]1CCC[C@H]1N(C)Cc1cc(=O)n2ccccc2n1 72896572 GFXDCBVUZZIACZ-KGLIPLIRSA-N 303.431 2.410 0 40 DEAB Cc1cnc2cc(C(=O)NC3C[C@@H]4CCC[C@H](C3)N4C)ccn12 563385672 RLOLAKOKCORJST-MQVJKMGUSA-N 312.417 2.388 0 40 DEAB CCc1nnc(N2CC[C@@H](OCc3c(C)noc3C)C2)n1CC 569141712 QOTVSGDEXULHKE-CYBMUJFWSA-N 319.409 2.261 0 40 DEAB Cc1ccc(F)c(-c2cc(NC(=O)CCn3cncn3)[nH]n2)c1 190100011 UPWSRZSFKGSKEW-UHFFFAOYSA-N 314.324 2.145 0 40 DEAB Cn1nc2c(c1CNC(=O)NCc1ccc(F)cc1)CCC2 225818779 CXWLCEZPVFKPQW-UHFFFAOYSA-N 302.353 2.047 0 40 DEAB Cc1ccc(Cl)cc1N1CCN(c2cc(=O)n(C)cn2)CC1 571940184 UJNLOQVXNUWOHT-UHFFFAOYSA-N 318.808 2.069 0 40 DEAB CCn1ncc(CNC(=O)Nc2ccc(Cl)cc2COC)n1 529125670 YVKYJMOLWOILNL-UHFFFAOYSA-N 323.784 2.420 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)[C@H](C)n1nc(C)cc1C 88268795 AJCNHTAUCWLCBP-KKUMJFAQSA-N 321.421 2.299 0 40 DEAB O=C(Cc1ccoc1)N1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 331573060 RDXWZRXGIIKLQN-DOMZBBRYSA-N 307.296 2.435 0 40 DEAB COc1ccc(Cc2noc(-c3cnc(C)cn3)n2)cc1OC 96405299 MOWPHSOPPVXIKF-UHFFFAOYSA-N 312.329 2.443 0 40 DEAB C1CC(N2CC[C@H]3[C@H](Cc4nnc(C5CC5)o4)OC[C@H]3C2)C1 96208476 UVKJMDZZNYQBAG-YUELXQCFSA-N 303.406 2.379 0 40 DEAB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2ccno2)C1 96443495 BNYTVDJLCKXUBR-NSHDSACASA-N 319.327 2.297 0 40 DEAB O=S(=O)(c1cccnc1)N1CCc2c(Cl)cccc2C1 96417523 NJLBNFFHNPNRDV-UHFFFAOYSA-N 308.790 2.482 0 40 DEAB O=C(N1CCCC1)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1 96238415 CGRIYCQOTQEZDR-SFHVURJKSA-N 313.401 2.331 0 40 DEAB CC(C)C[C@@](C)(NC(=O)c1cccc(F)c1Cl)C(N)=O 96431026 LCSVNYFKKFIGHN-CQSZACIVSA-N 300.761 2.499 0 40 DEAB COc1nn(C)c2c1CCCN(C(=O)c1cccc(F)c1)C2 96254458 SDCCFRJVRHAORE-UHFFFAOYSA-N 303.337 2.156 0 40 DEAB CCN1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478270 KDXHXIQYXJAXSM-FAJBIJEISA-N 324.509 2.216 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)Cc3c(C)nn(C)c3C)CC[C@@]2(C)C1 257309613 UBQCTKDMBFSBNR-KYJSFNMBSA-N 319.449 2.386 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H](c2ccncn2)C1 257236135 HAXVBTRPLXOYCR-CYBMUJFWSA-N 311.341 2.225 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575402824 CLXUFWPQZYFDQB-ZDUSSCGKSA-N 320.364 2.160 0 40 DEAB Cc1ccccc1OC[C@]1(O)COCCN(C2CCCC2)C1 585277817 YDUGWMUEWWWTNW-GOSISDBHSA-N 305.418 2.380 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cnc[nH]2)C1 585274901 RCQQBFFWOARYJU-KRWDZBQOSA-N 301.390 2.388 0 40 DEAB CCCn1nnnc1CSc1nnc(NC(C)(C)C)s1 32841170 AUCMUDYJBIJNPZ-UHFFFAOYSA-N 313.456 2.437 0 40 DEAB O=C(NCC1(OCCO)CCCC1)c1cc2ccccc2o1 888107075 XRICOWUJJJXCJL-UHFFFAOYSA-N 303.358 2.484 0 40 DEAB COc1ccccc1NC(=O)c1ccc(N2CCNC2=O)cc1 54304166 UGKXJXRICVXUKF-UHFFFAOYSA-N 311.341 2.477 0 40 DEAB Cc1ncc(CN(C)C[C@H](O)COc2ccc(F)cc2)s1 51408122 DDEKTYPOKWJTSS-ZDUSSCGKSA-N 310.394 2.462 0 40 DEAB CC(C)C(=O)NC1CCN(C(=O)c2c(F)cccc2F)CC1 57570595 UDFSFWMSRYFBFK-UHFFFAOYSA-N 310.344 2.342 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)C2(c3cccs3)CCCC2)CC1 85436794 JBBPKIGVEJMASV-CQSZACIVSA-N 322.474 2.085 0 40 DEAB O=C(CCCNC(=O)N1CCC[C@H]1C1CCC1)Nc1cn[nH]c1 95398207 RXLHWFCDJKIFNR-AWEZNQCLSA-N 319.409 2.103 0 40 DEAB Cc1nc(CN2CCN(C(=O)CCc3ccco3)CC2)cs1 42360235 NXMGHOKVXGSPKI-UHFFFAOYSA-N 319.430 2.322 0 40 DEAB CC1CCN(C(=O)Cn2c(=O)n(C(C)C)c3ncccc32)CC1 12117526 WNWZBWRTPIZIQQ-UHFFFAOYSA-N 316.405 2.037 0 40 DEAB O=c1nc(-c2cccnc2)[nH]c2c1CCN(Cc1cccs1)C2 19340113 SIEPSJCJSVHDFH-UHFFFAOYSA-N 324.409 2.452 0 40 DEAB CCN1CCO[C@@H](c2c(C(=O)NC)sc3ncccc23)C1 19702908 FQUBPLGPXFUVHH-LLVKDONJSA-N 305.403 2.049 0 40 DEAB O=C(CNC(=O)c1ccco1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 9691331 LSQZGIVMDBGTLO-BFHYXJOUSA-N 304.390 2.485 0 40 DEAB CC[C@@](CNC(=O)NC1CCOCC1)(OC)c1ccccc1 225558707 FYAIHXKZDSVCLR-KRWDZBQOSA-N 306.406 2.417 0 40 DEAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(O)cc2)c1 2616260 KSQBXKVSOVOJAJ-UHFFFAOYSA-N 316.309 2.449 0 40 DEAB O=C1CCC(C(=O)OCc2ccc(Cl)cc2Cl)=NN1 4348886 SSKNFCAYVYKDKY-UHFFFAOYSA-N 301.129 2.303 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@H](C)N(c3nc4ccc(F)cc4o3)[C@@H]2C1 1888847421 CKFVCPFXLVKIOX-OLUVUFQESA-N 303.337 2.412 0 40 DEAB COc1cc(N2CCC[C@@H](COc3ccncc3)C2)ncn1 1889103087 COPFJOFXADJLGL-CYBMUJFWSA-N 300.362 2.176 0 40 DEAB Cc1cc(C)cc(C(=O)OCn2nnc3ccccc3c2=O)c1 428849 GJNIRWXCWAXBQX-UHFFFAOYSA-N 309.325 2.223 0 40 DEAB COc1cccc(C(=O)Nc2c(C)nc3sccn3c2=O)c1 8902621 ULQJXDUMPOJEPN-UHFFFAOYSA-N 315.354 2.325 0 40 DEAB CCCCC(=O)Nc1cc(C2CC2)nn1-c1nc(C)cc(=O)[nH]1 12122957 NOJUMDLMCMUHKB-UHFFFAOYSA-N 315.377 2.270 0 40 DEAB CCCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13696925 PMLJEDMTJPONIY-UHFFFAOYSA-N 308.403 2.137 0 40 DEAB Cn1cnnc1CN1CC(n2c(C3CC3)nc3ccccc32)C1 1775973018 CITRQXAIDKVSSA-UHFFFAOYSA-N 308.389 2.099 0 40 DEAB Cc1ccc2n1CCN(C(=O)Cn1nnc3ccccc31)[C@@H]2C 78350733 XYQHUBFCTUQYMW-CYBMUJFWSA-N 309.373 2.145 0 40 DEAB Cc1ccccc1-c1nc(Cn2nc(C)c(CCO)c2C)no1 97115028 XVAYTZZTDPKZOH-UHFFFAOYSA-N 312.373 2.441 0 40 DEAB COc1cc(CNC(=O)c2cnccn2)ccc1OC(F)F 10441088 AWQAQWFOFFTXGM-UHFFFAOYSA-N 309.272 2.017 0 40 DEAB COc1ccccc1CNC(=O)NCCCn1nc(C)cc1C 30988050 PHOXVUAXXAFCIB-UHFFFAOYSA-N 316.405 2.398 0 40 DEAB O=S(=O)(NCc1ccccn1)c1ccc(F)cc1Cl 40494349 HJAXRONGKYEHLH-UHFFFAOYSA-N 300.742 2.353 0 40 DEAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 40481400 SQGLTKOYIGEYMT-SGMGOOAPSA-N 314.385 2.137 0 40 DEAB C[C@@H](c1nc(C2CC2)no1)N1CCN(CC(F)(F)F)CC1 51159464 MTBSWHRYDICOJO-VIFPVBQESA-N 304.316 2.188 0 40 DEAB CC1(C)NC(=O)N(C[C@H](O)c2cccc(C(F)(F)F)c2)C1=O 51259133 FWFZQPGZQGBZOK-JTQLQIEISA-N 316.279 2.069 0 40 DEAB Cc1nc(C(=O)NC[C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c(=O)[nH]c1C 101875464 RCUOILGOLOYOJA-OAGGEKHMSA-N 323.396 2.093 0 40 DEAB C[C@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 33050346 DQYQYPKEYKFZFB-LBPRGKRZSA-N 319.792 2.446 0 40 DEAB CC[C@@H](C)C(=O)NCc1nnc2ccc(C(F)(F)F)cn12 22415534 HLLQVKCGNSEWOD-MRVPVSSYSA-N 300.284 2.410 0 40 DEAB CN(Cc1cc2ccccc2n(C)c1=O)C(=S)NC1CC1 12390222 JTQDLJNAYKSICY-UHFFFAOYSA-N 301.415 2.007 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cn1 47223761 ISGGPOOMHYYCAF-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB Cc1nc2n(c1C)CCN([C@@H](C)C(=O)N1CCc3ccccc31)C2 97201415 MAMJDJVZGRFRIT-HNNXBMFYSA-N 324.428 2.293 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCN2CCCC[C@@H]12 47498266 YRIOMNMHOWBFND-MNOVXSKESA-N 307.423 2.164 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(C3CC3)on2)n1 61656547 RTKWUDCRXBLQCK-JTQLQIEISA-N 302.378 2.431 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)Nc1cccc2cnccc12 53980070 KRJAADYQRSMXJJ-NSHDSACASA-N 300.362 2.271 0 40 DEAB CN(CCCC(=O)O)C(=O)/C=C/c1c(Cl)nc2ccccn12 78824851 ULPTZJPRLDAZQS-BQYQJAHWSA-N 321.764 2.324 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)c3c(C)nn4cccnc34)C2)n[nH]1 78902261 SGFVOASMWQGRBS-ZDUSSCGKSA-N 324.388 2.089 0 40 DEAB O=C(NCCCN1CCCC1)c1cccc(N2CCCC2=O)c1 3055611 DJJZXCFGYUQBPP-UHFFFAOYSA-N 315.417 2.029 0 40 DEAB COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1 4004181 JBYXFSKFYVSZAQ-UHFFFAOYSA-N 301.371 2.263 0 40 DEAB aggregator Cc1ccc(CN(Cc2nc3c(cnn3C)c(=O)[nH]2)C2CC2)cc1 54418180 GYWYGWKLIGMXKM-UHFFFAOYSA-N 323.400 2.130 0 40 DEAB CN(C)c1ccc(-c2nnc(SCCC(=O)O)n2C)cc1 4921866 OFUDWTPUVGYMQD-UHFFFAOYSA-N 306.391 2.115 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)Nc2cc(F)ccc2F)c1 7405091 GYCSKNJTGVXVOR-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1nncn1C 42994700 CPMPLHQHRARTJQ-SNVBAGLBSA-N 307.785 2.071 0 40 DEAB CC(C)CNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 7798329 FZUWFRYGUOCSTE-UHFFFAOYSA-N 315.402 2.370 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1cc(Cl)c2c(c1)OCCO2 24475306 NLENMCJZXYJKAA-UHFFFAOYSA-N 321.764 2.117 0 40 DEAB CCOc1cccc(N2CCN(Cc3c(C)noc3C)CC2)n1 106873885 GASUKIYLDRSWHW-UHFFFAOYSA-N 316.405 2.407 0 40 DEAB O=C1C[C@@H](SCCO)C(=O)N1c1cccc(C(F)(F)F)c1 8560094 OSNRPSXDTZSXCS-SNVBAGLBSA-N 319.304 2.063 0 40 DEAB O=C(Nc1ccccc1F)N1CCN(C[C@@H]2CCCO2)CC1 57338487 KPUKGEODHAICAA-ZDUSSCGKSA-N 307.369 2.154 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C/C=C/[C@@H]2[C@H]2CC[C@@H]21 104146332 ZYBYLKWJSVYPOI-LRZNGLFXSA-N 307.353 2.049 0 40 DEAB O=C(C[C@@H]1C(=O)OC[C@@H]2CCCCN21)Nc1cccc(Cl)c1 58160211 DHQZLYXYTVGLLU-UONOGXRCSA-N 322.792 2.449 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@H](c1cccc(C)c1)CC2=O 20800633 IEQYULJHSGIHLQ-LBPRGKRZSA-N 311.337 2.383 0 40 DEAB O=C(O)[C@H]1CCN(Cc2ccc(Br)cc2F)C1 62134414 UGLMLWNIXKSXAZ-VIFPVBQESA-N 302.143 2.495 0 40 DEAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cnc(C(C)(C)C)s1 58342737 IBHITOAYWDCRII-JTQLQIEISA-N 311.451 2.331 0 40 DEAB CCOC(=O)[C@@](NC(=O)CC)(Nc1ccccc1)C(F)(F)F 2257471 BGYZGYSWCLYBCS-ZDUSSCGKSA-N 318.295 2.446 0 40 DEAB COCCNc1nc(Nc2ccc(F)cc2)nc2nccnc12 36366185 MNNVKRNKNSXTDX-UHFFFAOYSA-N 314.324 2.361 0 40 DEAB NC(=O)COc1cccc(NC(=O)c2cc3ccccc3[nH]2)c1 45889428 QSQUWYJMSILGEE-UHFFFAOYSA-N 309.325 2.284 0 40 DEAB O=S(=O)(NCCCN1CCCC1)c1ccc(F)cc1Cl 48313406 WMWSZEOFDFNWDA-UHFFFAOYSA-N 320.817 2.243 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)NCCN2CCCCCC2)cc1 24682780 RLMGWJCVHNNWDZ-UHFFFAOYSA-N 324.446 2.044 0 40 DEAB CC(=O)c1ccc(NC(=O)c2nc3nc(C)cc(C)n3n2)cc1 3430640 NTDJKVNPACHJQL-UHFFFAOYSA-N 309.329 2.196 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)N1CCCc2ccccc21 9047337 RWWFRWOVNATEBL-ZDUSSCGKSA-N 322.430 2.444 0 40 DEAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)C3CC3)CC2)c1 13015870 IRBRUFXLWWEMAC-UHFFFAOYSA-N 314.385 2.476 0 40 DEAB Cc1cc(C)n(CCCNCc2c[nH]nc2-c2cccnc2)n1 65458861 LWXSEGHEGACXRN-UHFFFAOYSA-N 310.405 2.465 0 40 DEAB CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1OC 4482395 DEKGENPPLZDYEL-AWEZNQCLSA-N 304.346 2.276 0 40 DEAB COc1cc(C(=O)NCCc2nnc3ccccn23)ccc1C 14136057 SRGXXSOWMIZWLB-UHFFFAOYSA-N 310.357 2.019 0 40 DEAB Cn1cccc1C(=O)N(CCC(=O)O)Cc1cccc(F)c1F 97018152 CYAYOSJGLZBEIG-UHFFFAOYSA-N 322.311 2.420 0 40 DEAB O=C(c1ccon1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 97048562 HGGZKWQJOFYKTM-UHFFFAOYSA-N 314.267 2.367 0 40 DEAB CC[C@](C)(CC(=O)O)CC(=O)Nc1ccccc1C(=O)NC 6847386 OQGJRCLAPSDTFZ-INIZCTEOSA-N 306.362 2.266 0 40 DEAB CCOC(=O)CC1(N(C)C(=O)c2cc(C)n[nH]2)CCCCC1 72295743 BWQBZQXSEBGNBH-UHFFFAOYSA-N 307.394 2.446 0 40 DEAB Cc1ccccc1-n1nccc1NS(=O)(=O)c1cccnc1 72283243 HRTCUPRVFCLXOI-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB CC[C@@H](C)c1cc(C(=O)N[C@H](Cc2ccccc2)C(N)=O)on1 72295299 RJJMBRAHQZOXKF-BXUZGUMPSA-N 315.373 2.015 0 40 DEAB Nc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n[nH]1 7785504 MHNIYNGNBBFBEJ-UHFFFAOYSA-N 308.754 2.383 0 40 DEAB Cc1occc1C(=O)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 21677416 CHNJFODNKKWZIQ-OAHLLOKOSA-N 314.341 2.084 0 40 DEAB C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1sccc1C(N)=O 7828815 GAAAIHBBWYTABF-ZJUUUORDSA-N 322.386 2.074 0 40 DEAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)NCC(F)(F)F)C1 96420465 LWVQMXAGFBFUHA-LLVKDONJSA-N 323.359 2.133 0 40 DEAB CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 96422448 GCXTVIJIIYLBOW-OLZOCXBDSA-N 315.460 2.105 0 40 DEAB CCOc1ccccc1N1CCN(Cc2cn(C)nc2C)CC1 96489435 ICWMMXWVOHLFMX-UHFFFAOYSA-N 314.433 2.449 0 40 DEAB C[C@H](O)[C@@H]1CCN(C(=O)NCCC2Cc3ccccc3C2)C1 97108071 WINUPDJTPYHIKS-SUMWQHHRSA-N 302.418 2.204 0 40 DEAB Cn1cnnc1CCNC(=O)c1ccccc1Cc1ccccc1 69348725 HQMKYSUXBAQPEJ-UHFFFAOYSA-N 320.396 2.378 0 40 DEAB Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CC2)cn1 69528572 JPBQPGPPEHOJHP-KRWDZBQOSA-N 323.396 2.010 0 40 DEAB O=C(Cn1cncn1)Nc1ccc(Cl)cc1-n1cccc1 69559410 XJPHNBIDSRIPLP-UHFFFAOYSA-N 301.737 2.361 0 40 DEAB CC(C)c1cc(NC(=O)c2cc3c([nH]c2=O)CCCC3)[nH]n1 71890354 GEVXOTYQVQFHIW-UHFFFAOYSA-N 300.362 2.353 0 40 DEAB C[C@@H](Cc1ccccc1F)NC(=O)N(C)CCn1cccn1 71897654 WNXYWBUDAGYSNE-ZDUSSCGKSA-N 304.369 2.295 0 40 DEAB O=C1N=C(O)C[C@@H]1N(C(=O)Cc1ccc(Cl)cc1)C1CC1 69872552 GCVMEACZVYJHAH-LBPRGKRZSA-N 306.749 2.129 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)c1 71865931 CBTMQBMLCNLLPT-CYBMUJFWSA-N 313.405 2.098 0 40 DEAB CC(C)Cn1ccnc(N2CCC[C@H](N3CCCC3)CC2)c1=O 94163628 JLYKZZQXDSAJGQ-INIZCTEOSA-N 318.465 2.354 0 40 DEAB O=C(NCc1cc(Cl)cc2c1OCC2)N1CCC[C@@H](CO)C1 97114792 MSIYWWHYNTWOSE-LLVKDONJSA-N 324.808 2.189 0 40 DEAB Cc1cccc(C(=O)O[C@H](C)C(=O)NCc2ccccc2)c1N 8720681 RHIZEZKYSMVUTA-CYBMUJFWSA-N 312.369 2.439 0 40 DEAB CO[C@H]1CCCC[C@@H]1NC(=O)N(CCO)Cc1ccccc1 83897676 HCIIPRCCEQXHCB-HOTGVXAUSA-N 306.406 2.148 0 40 DEAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1CCC(=O)N1CCOCC1 71914929 QBXPOMIWPRXXHL-GDBMZVCRSA-N 320.408 2.252 0 40 DEAB Cc1ccc([C@H](CNC(=O)Nc2c[nH]nc2C)N(C)C)cc1 71922252 YRINQMNXRLSREN-HNNXBMFYSA-N 301.394 2.451 0 40 DEAB Cc1nccn1C[C@H]1CCCN1S(=O)(=O)Cc1ccccc1 72300206 INQDUSIZKNEUBJ-MRXNPFEDSA-N 319.430 2.186 0 40 DEAB Cn1cc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)cn1 84317343 ISMOIQLDAXRQJY-QGZVFWFLSA-N 313.401 2.284 0 40 DEAB COc1ccsc1S(=O)(=O)N[C@@H](C)Cc1ccco1 95415207 FWYNKVKRGYQKNL-VIFPVBQESA-N 301.389 2.259 0 40 DEAB Cc1cc(CC(=O)N(C)Cc2ncc(-c3ccccc3)[nH]2)[nH]n1 95418753 RGIXRSGNDRZORF-UHFFFAOYSA-N 309.373 2.309 0 40 DEAB Cc1c[nH]cc(C(=O)N(Cc2cccc(O)c2)CC2CC2)c1=O 95465232 KWBNXDWPVTVDFE-UHFFFAOYSA-N 312.369 2.441 0 40 DEAB CCO[C@@H](C)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O 88242380 IPIJIGLAIBZJNC-LBPRGKRZSA-N 318.348 2.399 0 40 DEAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)N1CCC(CO)CC1 88620141 ZUZMSFCGWGUBHT-APWZRJJASA-N 314.429 2.304 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc2c(c1)CC(C)(C)O2 95948560 KBWLDHFLDASSKX-AWEZNQCLSA-N 316.357 2.201 0 40 DEAB Cn1ncnc1NC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984873 DLSUIBYLQYGCGY-NWDGAFQWSA-N 321.768 2.120 0 40 DEAB CCCc1ccc(C(=O)N2CCOC[C@@H]2c2ncon2)cc1 95981353 ZTXQDGPJEHUFCM-CQSZACIVSA-N 301.346 2.236 0 40 DEAB CCn1cnc(S(=O)(=O)Nc2cccc(-c3cnco3)c2)c1 75093703 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CO[C@@]1(C)C[C@H](NC(=O)NCCCn2ccnc2C)C1(C)C 73776479 UQKSSMGXKXGBBX-BBRMVZONSA-N 308.426 2.084 0 40 DEAB Cc1c(CNC(=O)c2nnsc2-c2ccccc2)cnn1C 72239950 RIDQVAFUOTVGOK-UHFFFAOYSA-N 313.386 2.177 0 40 DEAB COC(=O)[C@@](C)(CNC(=O)c1ccoc1C)c1ccccc1 188559177 IBGKZOWYTREPSD-KRWDZBQOSA-N 301.342 2.449 0 40 DEAB CN(CCO)C1CCC(NC(=O)OCc2ccccc2)CC1 79391658 QNKSAUBJVRVBBX-UHFFFAOYSA-N 306.406 2.148 0 40 DEAB CC1CCN(C(=O)CN2C[C@@H](C)C(=O)Nc3ccccc32)CC1 31903330 AVEYSXNPDWVKBI-CQSZACIVSA-N 315.417 2.340 0 40 DEAB CCCn1nnnc1CN1CCO[C@H](c2ccc(C)cc2C)C1 75786235 YTTPAODUARWEPM-INIZCTEOSA-N 315.421 2.273 0 40 DEAB Cc1cc(C)c(C)c(OCCC(=O)NCc2cnn(C)c2)c1 78655955 PWTUTPNPCPLVTK-UHFFFAOYSA-N 301.390 2.431 0 40 DEAB O=C(NCc1nnc2n1CCCC2)c1ccc2ccccc2n1 41141107 JBOVBXYGAKERSW-UHFFFAOYSA-N 307.357 2.093 0 40 DEAB O=C(NCc1ccco1)c1ccnc(O[C@@H]2CCSC2)c1 225719540 KWMBWNKNHXFVJJ-CYBMUJFWSA-N 304.371 2.489 0 40 DEAB O=C(NCCCn1cccn1)c1cn(-c2ccc(F)cc2)cn1 227115203 LGNWZUJLULJHLS-UHFFFAOYSA-N 313.336 2.028 0 40 DEAB 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Cc1ccc(OCCC(=O)NCCc2nccn2C)cc1C 65542797 FXOHFCACSZNJFN-UHFFFAOYSA-N 301.390 2.165 0 40 DEAB Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccc2c(c1)OCO2 14210957 CLVZCEKJWMCDFV-MRVPVSSYSA-N 324.358 2.060 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(CN3CCCC[C@H]3C)nc2c1 6506309 RSIDOTKRARIPLY-LLVKDONJSA-N 315.373 2.084 0 40 DEAB Cc1ccc(C)n1-c1nonc1N1C(=O)c2ccccc2C1=O 4745581 LCMMZZAIBPEVPE-UHFFFAOYSA-N 308.297 2.278 0 40 DEAB COCc1nnc2sc(-c3ccc(OC)c(OC)c3)nn12 6756982 MKPUTSGWSYBYOW-UHFFFAOYSA-N 306.347 2.016 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc21)c1n[nH]c2ccccc12 4824837 FTTSOENJYRPHFP-UHFFFAOYSA-N 321.336 2.309 0 40 DEAB COC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)nc(C(C)C)n1 71799419 NKKSIXWPCJRQKM-LLVKDONJSA-N 306.366 2.078 0 40 DEAB CC1=C(C(=O)N[C@H]2CCN(C(C)C)C2=O)Cc2ccccc2O1 96444729 PWNJPBSKGCBWIK-HNNXBMFYSA-N 314.385 2.021 0 40 DEAB O=C([C@@H]1Cc2ccccc2O1)N1CCC(Nc2cccnc2)CC1 68338672 MLLWPTSKOCAVKC-SFHVURJKSA-N 323.396 2.488 0 40 DEAB Cc1ccc2nc(CN3C[C@H](C)OC(C)(C)C3)cc(=O)n2c1 68477944 PMOMVAJEEKVALM-ZDUSSCGKSA-N 301.390 2.002 0 40 DEAB Cc1cccc(Oc2ccc(NC(=O)Cn3cnnn3)cc2)c1 7757960 WJMPNRDDBAXNRJ-UHFFFAOYSA-N 309.329 2.413 0 40 DEAB CC(C)=CC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 71883096 OKOKDFJQCIUXSB-UHFFFAOYSA-N 319.386 2.181 0 40 DEAB C[C@H](CC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 71841481 MKIDKXRTYYNXBB-BXUZGUMPSA-N 306.381 2.022 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC2CCCC2)no1 8081434 YVGFUHZZWXXARW-SNVBAGLBSA-N 311.407 2.102 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)Nc1nccs1 71876690 FJAKGJHBLSINPG-GFCCVEGCSA-N 319.434 2.269 0 40 DEAB CC[C@@](C)(NC(=O)c1cc(-c2ccccc2)on1)C(=O)OC 69384311 BLLUTFHSKMVDAB-MRXNPFEDSA-N 302.330 2.413 0 40 DEAB COC(=O)[C@H](C)NC(=O)C1(c2ccc(OC)cc2)CCCC1 69326247 HRIANVUFNQOAEU-LBPRGKRZSA-N 305.374 2.185 0 40 DEAB C[C@@H]1C[C@@H](Nc2ccc3nnc(C(F)(F)F)n3n2)CCO1 95455672 HIZFJXAECQVCJW-SFYZADRCSA-N 301.272 2.123 0 40 DEAB Cc1ccc(-n2ccnc2)c(C(=O)N2CCN(CC3CC3)CC2)c1 71905716 NHNASZPYCCACPA-UHFFFAOYSA-N 324.428 2.349 0 40 DEAB COc1ccc(CN[C@H](C)C(=O)N2CCCC[C@@H]2C)cc1O 71924573 WGRWMMZTUQWHHR-QWHCGFSZSA-N 306.406 2.280 0 40 DEAB CCc1noc(CCCC(=O)N2CCC[C@@H](n3ccnc3)C2)n1 69654769 SEVCJSNKASVYFG-CYBMUJFWSA-N 317.393 2.015 0 40 DEAB COC(=O)[C@@](C)(NC(=O)c1cc(C)no1)c1cc(F)ccc1F 69737518 PMUSQUJXIUQOLV-HNNXBMFYSA-N 324.283 2.079 0 40 DEAB CC(C)CCC(=O)NC(=S)Nc1ccc(O)c(C(=O)O)c1 20151344 WPCQDVNBOGFTMG-UHFFFAOYSA-N 310.375 2.340 0 40 DEAB c1ccc(-c2nc(CN3CCC[C@H](Cn4cncn4)C3)no2)cc1 69919940 UBZMBBFDDKWJNU-AWEZNQCLSA-N 324.388 2.240 0 40 DEAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2c(c1)nnn2C 95417727 JJOSHHRWHQXLFH-PXAZEXFGSA-N 324.384 2.210 0 40 DEAB CC(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)nc1C 95448343 VLFJLAVJDDVWFR-UHFFFAOYSA-N 308.341 2.399 0 40 DEAB O=C(Nc1ccc(O)cc1F)[C@@H]1CCCN(C(=O)C2CC2)C1 97080052 CTSOWFACLOQUOB-LLVKDONJSA-N 306.337 2.118 0 40 DEAB Cc1csc([C@@H]2CCCN(C(=O)CCn3ccnc3)C2)n1 72298969 QPEVUVWUQDSABT-CYBMUJFWSA-N 304.419 2.444 0 40 DEAB Cc1nc([C@@H]2CN(c3ccnc(-c4ccccc4)n3)CCO2)no1 95947912 DTXKRBBAYAGLSU-AWEZNQCLSA-N 323.356 2.413 0 40 DEAB CCS[C@H]1CCC[C@H]1NC(=O)COc1c(C)nn(C)c1C 89275118 PNQOYKYVDFUULC-OLZOCXBDSA-N 311.451 2.206 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCCOC 408998590 BKDFIRRTXPPZTM-HIFRSBDPSA-N 322.405 2.090 0 40 DEAB CC(C)N(C[C@@H]1C[C@@H]1C)C(=O)c1ccc(CS(C)(=O)=O)o1 75147717 CPEPPDPILQFPJU-RYUDHWBXSA-N 313.419 2.331 0 40 DEAB Cc1cc(C)c(CNS(=O)(=O)CC2CCOCC2)c(C)c1 76061912 JIIRSCIKTDCHIU-UHFFFAOYSA-N 311.447 2.458 0 40 DEAB Cc1ccccc1CSCC(=O)NCCCN1CCOCC1 408575582 OAFLIVFFQDTEST-UHFFFAOYSA-N 322.474 2.067 0 40 DEAB COc1cc(OC)c([C@H](CN)N2CCC[C@H](C)C2)c(OC)c1 62712645 HURJVMTZXCIYKX-JSGCOSHPSA-N 308.422 2.444 0 40 DEAB O=C(O)C1(c2ccc(Br)cc2)CC2(C1)OCCO2 77011442 FJCAREVMNSGSFN-UHFFFAOYSA-N 313.147 2.308 0 40 DEAB COc1ccc([C@@H]2CC(=O)Oc3c2oc(C)cc3=O)c(OC)c1 1547139473 QQSHGVZVXFYVBC-LBPRGKRZSA-N 316.309 2.406 0 40 DEAB biogenic Cc1cc(NC(=O)Nc2cccc(CCC(=O)O)c2)nnc1C 417760693 YBCJHDAMPARIEN-UHFFFAOYSA-N 314.345 2.755 0 40 DEAB O=S(=O)(Nc1cccnc1-n1cccn1)c1cccs1 78556736 RYIVNLFZMIRXHU-UHFFFAOYSA-N 306.372 2.130 0 40 DEAB COc1ccc(CCN2CCN[C@@H]3CCCC[C@H]32)cc1OC 218829461 PCDYWXSLJODRRH-HZPDHXFCSA-N 304.434 2.463 0 40 DEAB CC(C)(C)c1ncc(NC(=O)N2C[C@@H]3[C@@H](C2)[C@H]2C=C[C@H]3O2)cn1 560405699 KTOYHAFRZZBUJG-AAVRWANBSA-N 314.389 2.191 0 40 DEAB CS[C@H](CNC(=O)[C@H]1CCC(=O)N1)c1cccc(Cl)c1 78917407 SCXOTMOEGIJXRB-VXGBXAGGSA-N 312.822 2.139 0 40 DEAB O=C(CSCc1ccc(F)cc1)NCCCn1ccnc1 216309085 KLHZAXRFAUODEL-UHFFFAOYSA-N 307.394 2.462 0 40 DEAB Cc1cc(S(C)(=O)=O)ccc1NC(=O)/C=C/c1cccnc1 74630139 HGSRIYSXFLQVPV-VMPITWQZSA-N 316.382 2.445 0 40 DEAB CCS(=O)(=O)[C@H]1[C@H](C(N)=S)[C@@H]1c1cccc(Cl)c1 218573759 OBDOWLZLEZLOMA-HBNTYKKESA-N 303.836 2.143 0 40 DEAB Cc1ccn2c(CN3CCN(Cc4ccncc4)CC3)cnc2c1 184714940 HWRBXOJDLXGOOY-UHFFFAOYSA-N 321.428 2.356 0 40 DEAB CN1CC(=O)N(C(=O)/C=C/c2ccccc2)c2ccccc2C1=O 40385942 NEWBEKSRGFMMBV-VAWYXSNFSA-N 320.348 2.345 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)Cc2c[nH]c3ccccc23)n1 224187024 DQKHQCYBMSLPQD-UHFFFAOYSA-N 323.400 2.191 0 40 DEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCC[C@@H](C)c2ccccc21 194077436 UEXPNDBYLSXRJQ-OLZOCXBDSA-N 324.446 2.197 0 40 DEAB O=C(c1cccnc1C1CC1)N1CCN(c2ccccc2)C(=O)C1 329810192 MLXKPYKICOHPFL-UHFFFAOYSA-N 321.380 2.448 0 40 DEAB Cc1cccc(CN2C[C@H]3O[C@H](C[C@@H]3C(=O)N3CCCC3)C2)c1 96253188 OTAJAFQPSRNQSS-FGTMMUONSA-N 314.429 2.207 0 40 DEAB COc1cccc(OC)c1-c1ccc(C[C@H](N)C(=O)O)cc1 142563855 JFZRFLNIXSWGJP-ZDUSSCGKSA-N 301.342 2.325 0 40 DEAB CCN1C[C@@H]2[C@@H](OC)CCN(C(=O)c3ccc(C)cc3)[C@@H]2C1 96109396 OZXDYNSVININMC-BBWFWOEESA-N 302.418 2.176 0 40 DEAB c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2nccs2)c1 96041682 YAFBDWBAJGUQPS-SQWLQELKSA-N 317.414 2.349 0 40 DEAB CN(Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H]2CCCN2)CC1 96499766 IHCMFRXCKNHPIP-MSOLQXFVSA-N 315.461 2.252 0 40 DEAB CC/C=C(/C)C(=O)NC1CCN(c2cc(CC)ncn2)CC1 96450794 KYTIAJVXOJXMTA-MLPAPPSSSA-N 302.422 2.480 0 40 DEAB C[C@@H](Oc1ccc(OCc2noc3c2CCCC3)cc1)C(N)=O 96429021 BHTNWEXBRCSUIR-LLVKDONJSA-N 316.357 2.385 0 40 DEAB CCN(C(=O)c1coc(C)n1)[C@@H]1CCOC2(CCN(C)CC2)C1 257331473 XSZVGBZJZLNELR-CQSZACIVSA-N 321.421 2.089 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cccc3ncccc23)n1 257209937 BSMLZGBSJRTBNH-MRXNPFEDSA-N 322.368 2.480 0 40 DEAB Cc1cc(C)nc(N2CCC[C@H](c3ccc4c(N)n[nH]c4n3)C2)n1 257226503 FKWOLJZBSQIJIL-LBPRGKRZSA-N 323.404 2.331 0 40 DEAB CCN1CCC[C@H]1CNC(=O)CCc1cccc(OC)c1F 252483432 FBNVARZQIDFMNS-AWEZNQCLSA-N 308.397 2.367 0 40 DEAB O=C(NCCc1ccccc1)NC[C@]1(O)CCc2ccccc2C1 85560549 RUPDUGSAYJXEAP-FQEVSTJZSA-N 324.424 2.448 0 40 DEAB COc1ccc(C(=O)OCc2csc(NC(C)=O)n2)c(O)c1 26530690 NCQCYWGDGXCDDE-UHFFFAOYSA-N 322.342 2.173 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)[C@@H](C)Sc2nncs2)cc1 69413707 PEXRHSKFZSQJOR-PWSUYJOCSA-N 323.443 2.177 0 40 DEAB C[C@H](NC(=O)NC[C@H](O)C1CC1)c1cccc(-n2ccnc2)c1 74876378 KSDHWYAXCQAUQY-LRDDRELGSA-N 314.389 2.003 0 40 DEAB CC(C)c1ccc(OCC(=O)N[C@@H]2CC(=O)N(C3CC3)C2)cc1 75161387 NXDAWYWYVIWSIJ-CQSZACIVSA-N 316.401 2.068 0 40 DEAB Cn1cc(N2CCC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cn1 98014202 RZBWCZLUWJKVPC-AWEZNQCLSA-N 317.368 2.350 0 40 DEAB C#CCOc1ccc(/C=C2/SC(=S)NC2=O)cc1OC 5743958 GETYYUJYBRNRGD-XYOKQWHBSA-N 305.380 2.196 0 40 DEAB O=S(=O)(CCCOc1ccc(F)cc1)NCc1ccncc1 12440818 RKIXDWCVCTXFTB-UHFFFAOYSA-N 324.377 2.109 0 40 DEAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C=O)CC1 14398582 VJIUSXHJBAGKRS-CQSZACIVSA-N 318.417 2.052 0 40 DEAB Cc1csc(C(=O)NCC2(OCCO)CCSCC2)c1 828765483 VKRQNTGHPYWXEU-UHFFFAOYSA-N 315.460 2.061 0 40 DEAB CN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)O)cc1 13069369 PHBSADFGTMMJNH-UHFFFAOYSA-N 311.384 2.267 0 40 DEAB Cc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)O)cc1C 4280126 JIKYVPDHYQXCNO-HNNXBMFYSA-N 316.357 2.468 0 40 DEAB NC(=O)Cc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 13715648 IUYDIXMQKAUQJJ-UHFFFAOYSA-N 322.320 2.073 0 40 DEAB C[C@@](O)(CNC(=O)Nc1ccc2c(c1)OCO2)c1ccco1 75156357 IGECCIZOQIVBSF-OAHLLOKOSA-N 304.302 2.038 0 40 DEAB CSc1nc2sc3c(c2c2nnc(C)n12)CCN(C)C3 20057766 IPNCXMFKKUQXHF-UHFFFAOYSA-N 305.432 2.357 0 40 DEAB O=C(Nc1nncs1)C1CCN(C(=O)c2ccsc2)CC1 30611563 IHYMTGRKUCWWQJ-UHFFFAOYSA-N 322.415 2.091 0 40 DEAB Cc1csc(N(C)C(=O)C2CCN(c3ncccn3)CC2)n1 40553623 WTQAJBHIIHHZAU-UHFFFAOYSA-N 317.418 2.121 0 40 DEAB c1ccc(OCCN2CCC(CN3CCOCC3)CC2)cc1 51958596 KAYLDSFFTNBJGN-UHFFFAOYSA-N 304.434 2.110 0 40 DEAB Cc1ccc(C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cn1 21064907 UFNQYNWXWFUFNZ-KBPBESRZSA-N 305.422 2.008 0 40 DEAB Cc1nc(-c2cccs2)sc1C(=O)N1CC[C@@H](C(N)=O)C1 41128460 ZZZWIRDMJQXDIV-SECBINFHSA-N 321.427 2.127 0 40 DEAB CN(CC(=O)N1CCCCC1)Cc1cnn(-c2ccccc2)c1 52685863 GBFYGTNIWZYHMH-UHFFFAOYSA-N 312.417 2.317 0 40 DEAB CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 33045272 PTJNRHKOOZLWFF-MGPQQGTHSA-N 309.454 2.498 0 40 DEAB NC(=O)C1(NC(=O)c2ccc3c(c2)CCCC3)CCCCC1 77398121 YRKQEDLUMLLDCV-UHFFFAOYSA-N 300.402 2.483 0 40 DEAB COc1ccccc1CCNC(=O)CCc1nc2ncccc2[nH]1 79474382 UUMMAJYCBPDMCC-UHFFFAOYSA-N 324.384 2.258 0 40 DEAB COc1ccc(OC)c(NC(=O)CCc2cc(OC)no2)c1 79488284 XGQJMHWKBOIRFX-UHFFFAOYSA-N 306.318 2.272 0 40 DEAB Cc1n[nH]c(S/C(=C\c2ccc(C(=O)O)cc2)C(=O)O)n1 6588245 MHPOHFGFNHUORR-POHAHGRESA-N 305.315 2.029 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)Cc3cn4ccccc4n3)cc12 24465063 TWLRCGORRXXFKC-UHFFFAOYSA-N 320.356 2.106 0 40 DEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2c1OCCO2 55151429 PPDFIIFXPDURIG-MNOVXSKESA-N 303.314 2.063 0 40 DEAB CC(C)[C@@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 8133721 GVZUCWZUGVAYGI-SNVBAGLBSA-N 323.397 2.054 0 40 DEAB C[C@@H](NC(=O)c1ccc[nH]c1=S)C(=O)NCc1ccccc1 55343989 MDWSBTUVMQDNMA-LLVKDONJSA-N 315.398 2.179 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1[C@H](C)c1nnc(C)o1 106668298 KOPACDWDSNSUKT-KWCYVHTRSA-N 306.410 2.304 0 40 DEAB O=C1CCC(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21 3210297 OATZSTHAVJCZLA-ZDUSSCGKSA-N 322.364 2.304 0 40 DEAB COc1ccccc1CNC(=O)CSc1nc(C2CC2)n[nH]1 12698501 HXHAUBGUMCQKRF-UHFFFAOYSA-N 318.402 2.099 0 40 DEAB CN1N=C(c2ccc(N3CCCC3=O)cc2)C[C@@H]1c1cnn(C)c1 58265253 UEMJPLJQEHLJDQ-QGZVFWFLSA-N 323.400 2.328 0 40 DEAB COc1ccc2c(CN3C[C@@H](C)OC[C@H]3C)cc(=O)oc2c1 44910595 NYZGINVWZWJUAC-VXGBXAGGSA-N 303.358 2.411 0 40 DEAB COc1ccc(NC(=O)N[C@H]2CCCc3c2cnn3C)cn1 44950906 WQAVKRXCPIXCEO-LBPRGKRZSA-N 301.350 2.023 0 40 DEAB CN(C)c1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cn1 58325809 BJBNSLKTNPAEOY-UHFFFAOYSA-N 321.384 2.263 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(Cc1ccc3c(c1)CCO3)C2 108534949 ICWKIBFULSGUCC-VQIMIIECSA-N 314.429 2.360 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72282760 SHJDJLOJPJQFNL-JTQLQIEISA-N 305.407 2.236 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1ccncc1 100141225 ZKOYZCDSUUEVRG-ZFWWWQNUSA-N 319.368 2.335 0 40 DEAB Cn1cccc1CNCc1nnc2n1CCC[C@H]2C(F)(F)F 95402040 MOKGGUQFYZJGJH-LLVKDONJSA-N 313.327 2.346 0 40 DEAB CN(Cc1ccco1)C(=O)NCCC(=O)N1CCCCCC1 60278302 MDMGTRHAVPRMID-UHFFFAOYSA-N 307.394 2.214 0 40 DEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccccc2)C1=O 3610440 AFDGKUBJBLDFEN-GOSISDBHSA-N 308.337 2.337 0 40 DEAB C[C@H](OC[C@H](O)CN1CCC[C@@H](O)C1)c1ccc(Cl)cc1 13145872 CUXCKSIMWNVHKG-APHBMKBZSA-N 313.825 2.235 0 40 DEAB Cc1ocnc1C(=O)Nc1n[nH]c(Cc2ccc(F)cc2)n1 96004811 QMMYHBJUWXOZGX-UHFFFAOYSA-N 301.281 2.083 0 40 DEAB c1cncc(-c2n[nH]cc2CNCc2cn3ccsc3n2)c1 65457384 VJPXYXBLEJBZED-UHFFFAOYSA-N 310.386 2.471 0 40 DEAB Cc1cc(C)c(CNC(=O)NCCc2nc(C)no2)c(C)c1 65621831 HBTUQOVUECIKIF-UHFFFAOYSA-N 302.378 2.345 0 40 DEAB Cc1ccccc1OCCOC(=O)c1ccccc1-n1cnnn1 14244428 OQRIXDCMZUJZKI-UHFFFAOYSA-N 324.340 2.207 0 40 DEAB Cn1ccnc1S[C@@H](C(=O)N1CCOCC1)c1ccccc1 6649764 VPVZOXTVXGDNTE-CQSZACIVSA-N 317.414 2.112 0 40 DEAB O=C(Cc1ccsc1)OCN1C(=O)c2ccccc2C1=O 5657817 BYOPGGVWPVWODX-UHFFFAOYSA-N 301.323 2.088 0 40 DEAB O=C(/C=C/c1cccc(F)c1)Oc1ccc(-n2cnnn2)cc1 5632002 FWPHGRABWBRPSM-RUDMXATFSA-N 310.288 2.420 0 40 DEAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)on1 6738093 YQJIUWJWQGXSEG-UHFFFAOYSA-N 305.359 2.275 0 40 DEAB CC(C)n1nccc1NC(=O)CSc1nncn1C1CC1 14897608 WHTVKJCNHCKLPB-UHFFFAOYSA-N 306.395 2.121 0 40 DEAB COC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 5714352 PXCYFXRTDQJMRL-ZDUSSCGKSA-N 309.362 2.304 0 40 DEAB CN[C@]1(c2nnnn2-c2c(C)cccc2C)CCOC(C)(C)C1 4836899 QSCGGSJEIOJUPT-QGZVFWFLSA-N 315.421 2.283 0 40 DEAB COCCN1CC[C@H](CNC(=O)CCc2cccc(Cl)c2)C1 68493492 PDULNCSHUULKBJ-OAHLLOKOSA-N 324.852 2.357 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@H](C[S@@](C)=O)c1ccccc1 96445522 ACDBKRZOHUBAJX-PEBXRYMYSA-N 319.430 2.061 0 40 DEAB C[C@@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccn1 7979429 HWTVYWVFOWWESR-GFCCVEGCSA-N 322.368 2.128 0 40 DEAB in-vitro C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 8193435 NACUPGFKGSPSKT-RISCZKNCSA-N 322.430 2.428 0 40 DEAB Cc1cc(C(=O)COC(=O)[C@@](C)(O)c2cccc(F)c2)c(C)[nH]1 70019035 QFKUPIKXIHALGG-KRWDZBQOSA-N 319.332 2.404 0 40 DEAB Cc1ncc2c(n1)CN(Cc1nnc(-c3occc3C)o1)CC2 69420463 UNKORMZJQRAJJI-UHFFFAOYSA-N 311.345 2.295 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@H]1COc2ccccc2C1 69455127 FHMFRGLMFZBGAE-ZACQAIPSSA-N 314.429 2.323 0 40 DEAB C[C@H](CNC(=O)[C@@H](C)NC(N)=O)c1c(Cl)cccc1Cl 71854188 OWIYMUQRXKIGBA-HTQZYQBOSA-N 318.204 2.270 0 40 DEAB COCc1cc(C(=O)NCc2nc3ccccc3s2)no1 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DEAB CCN1CCOC[C@@H]1C(=O)NCC1(Cc2ccccc2)CCC1 95453144 PCEABLAZXOQAPP-QGZVFWFLSA-N 316.445 2.236 0 40 DEAB O=C(Nc1cnc(C2CC2)nc1)N1CCc2ccccc2[C@H]1CO 95429822 XQCPFNFOTDOYHZ-MRXNPFEDSA-N 324.384 2.478 0 40 DEAB O=C(c1cnsn1)N(CCCO)[C@H]1CCc2ccccc21 95465373 QMJPQCLYBWWNIV-AWEZNQCLSA-N 303.387 2.050 0 40 DEAB CC1(C)CN=C(N2CCN(c3ncc(Cl)cn3)CC2)S1 95412165 DDOFAIWITDOMQD-UHFFFAOYSA-N 311.842 2.133 0 40 DEAB CSC[C@H]1CCN(S(=O)(=O)c2cncc(Cl)c2)C1 95437301 PERVAOXVBFXNOB-VIFPVBQESA-N 306.840 2.109 0 40 DEAB Cn1c(CO)cnc1S[C@H](C(=O)NC1CC1)c1ccccc1 76092699 RKHCXHSTFSJLBQ-AWEZNQCLSA-N 317.414 2.024 0 40 DEAB Cc1ccccc1NC(=O)CCn1ncc2ncccc2c1=O 76082375 SIVRQYFVTKYAEP-UHFFFAOYSA-N 308.341 2.129 0 40 DEAB O=C(COc1ccccc1F)Nc1ccc(O)c(C(=O)O)c1 20144605 CWYHPXJDIBOKJQ-UHFFFAOYSA-N 305.261 2.247 0 40 DEAB O=C(Nc1ccsc1C(=O)NC1CCCC1)c1cnccn1 67335459 VPEVSDYLUJRYSE-UHFFFAOYSA-N 316.386 2.463 0 40 DEAB CCCn1nc(C)cc1NS(=O)(=O)c1ccc(OC)cc1 32610662 DRFBQPFNVLNCCB-UHFFFAOYSA-N 309.391 2.411 0 40 DEAB O=c1c2cc3c(cc2ncn1Cc1ccccc1F)OCCO3 32647276 PFKPDMYHAFOKJW-UHFFFAOYSA-N 312.300 2.355 0 40 DEAB CCOc1ccc([C@@H](CN2CCOCC2)C(C)=O)cc1OC 31842243 BVBJMTIQNKBMFX-HNNXBMFYSA-N 307.390 2.099 0 40 DEAB Cc1nc(CNC(=O)[C@H]2COc3ccccc3O2)sc1C 72242631 HYBXNESFTOCVQN-CYBMUJFWSA-N 304.371 2.216 0 40 DEAB CCN(CCO)C1CCN(C(=O)OCc2ccccc2)CC1 79391682 ZYAQOJBAFFTSHK-UHFFFAOYSA-N 306.406 2.102 0 40 DEAB COC[C@@H](O)COc1cc(Br)ccc1C(C)=O 180781585 DZSAMJCUKVMUQX-SNVBAGLBSA-N 303.152 2.038 0 40 DEAB O=C(CCNc1ncccn1)NC12CC3CC(CC(C3)C1)C2 32925980 MGZAPOFFSFNVRI-UHFFFAOYSA-N 300.406 2.364 0 40 DEAB CN1N=C(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CCC1=O 79691842 SYUYRKJNWJUWHU-UHFFFAOYSA-N 312.329 2.252 0 40 DEAB O=C(O)CNC(=O)/C=C/c1ccc(OCc2ccccc2)cc1 40867918 DBLRQXLCFJHOJQ-DHZHZOJOSA-N 311.337 2.480 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccccn2)C[C@@H](c2ccsc2)O1 328890505 RRKFIMPBZXSPJL-AAEUAGOBSA-N 324.427 2.294 0 40 DEAB Cc1cc(C(=O)NCC2CCN(c3ccccn3)CC2)no1 43975352 NIAFCZJNOVLWDQ-UHFFFAOYSA-N 300.362 2.024 0 40 DEAB CC[C@@](C)(CC(=O)O)NC(=O)c1cc(Br)c[nH]1 195551133 WUOLSJPUSNMMQL-NSHDSACASA-N 303.156 2.150 0 40 DEAB CO[C@@H](C)CS(=O)(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 195230242 SWVNOVCPYXGDJT-UWVGGRQHSA-N 320.480 2.456 0 40 DEAB CC(C)N1CCC2(CC1)C(=O)Nc1ccc(C(=O)N(C)C)cc12 96241433 CTLVQCKCRWSDRC-UHFFFAOYSA-N 315.417 2.083 0 40 DEAB Cn1nnnc1SC[C@@H](O)c1ccc(Cl)cc1Cl 96485392 BQQFZJUASXXULF-SECBINFHSA-N 305.190 2.343 0 40 DEAB CC1CCN(S(=O)(=O)Nc2cccc3c(O)nccc23)CC1 333376136 DXARUXHTPNEHPI-UHFFFAOYSA-N 321.402 2.329 0 40 DEAB Cn1cc(CN2CCC[C@@]3(CCN(c4ccccc4)C3=O)C2)cn1 96224481 KWAKZBZYOMNHSV-LJQANCHMSA-N 324.428 2.439 0 40 DEAB O=C(c1cocn1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96106053 MSEABNHLJBIXON-AWEZNQCLSA-N 320.389 2.113 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CCO[C@@H]2CCN(C3CCC3)C[C@@H]21 97953873 LRZIFHVFELYEEX-BRWVUGGUSA-N 315.417 2.300 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)NCC[S@](C)=O 96433737 YNFXJTSZLUFCMW-LJQANCHMSA-N 304.799 2.157 0 40 DEAB COCCN1CCC2(CC1)C[C@@H](CC(N)=O)c1ccc(F)cc12 96100179 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DEAB CC(=O)N(C)c1nc(CN[C@H](C)[C@@H](C)n2cccn2)cs1 69948568 UWYYSNGBIBXJLK-GHMZBOCLSA-N 307.423 2.062 0 40 DEAB O=C(NC[C@H]1CCC[C@H]1O)c1cc(=O)c2cc(Cl)ccc2o1 80973389 CBGUQNKXDQPKLS-BXKDBHETSA-N 321.760 2.337 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1ccc(Br)s1 89938610 JSPZONMAXWPSTG-QMMMGPOBSA-N 303.225 2.287 0 40 DEAB Cc1c(Br)cccc1C(=O)NCCn1cnnc1C 96445307 NFTFYSYOOBNHFP-UHFFFAOYSA-N 323.194 2.087 0 40 DEAB C[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)OCc1ccccc1 118881183 UJWAJHXBZISLFR-SUMWQHHRSA-N 300.358 2.232 0 40 DEAB COCC(=O)N[C@H](Cc1ccccc1)c1nn(C)c2ncccc12 12236056 KHDFFQRPNZBERF-OAHLLOKOSA-N 324.384 2.015 0 40 DEAB CCCCc1nn2c(=O)cc(COC(=O)C(C)C)nc2s1 15734071 DVLCUJYYFLCWQJ-UHFFFAOYSA-N 309.391 2.193 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)O 20480853 OQVNJVSIPVUOLL-GMSGAONNSA-N 315.167 2.073 0 40 DEAB NC(=O)c1ccc(C(=O)OCCOc2ccccc2F)cc1 23045139 JYJIHXXSTILINC-UHFFFAOYSA-N 303.289 2.160 0 40 DEAB C[C@]1(C(=O)N2C[C@H]3CCN(CC4CC4)C(=O)[C@H]3C2)CC=CCC1 1565550496 ASHHWJHZRVCKIK-GJYPPUQNSA-N 316.445 2.450 0 40 DEAB COc1cnc(O[C@H]2CCN(c3cnc4ccccc4n3)C2)nc1 2086889527 OGSNPWNEKHUIEX-LBPRGKRZSA-N 323.356 2.086 0 40 DEAB O=C(NCc1nccnc1-c1ccsc1)NC1CCOCC1 575618322 GXUBJQBTGHDBDS-UHFFFAOYSA-N 318.402 2.183 0 40 DEAB COC(=O)[C@H](C(F)(F)F)C(F)(F)SC(C(C)=O)C(C)=O 100116011 UHBCHPAABXCBQC-SSDOTTSWSA-N 322.251 2.211 0 40 DEAB Cc1cc(CN(C)S(=O)(=O)c2cccc(Cl)c2)no1 31657107 AJFAGTMCJSMJKR-UHFFFAOYSA-N 300.767 2.457 0 40 DEAB NC(=O)C1CCN(C(=O)/C=C/c2c(F)cccc2Cl)CC1 20901852 MMPAKMOPLSIUFN-SNAWJCMRSA-N 310.756 2.216 0 40 DEAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2N1CCCC1 32603926 JUINYAXHAOBLRR-AWEZNQCLSA-N 303.406 2.125 0 40 DEAB CNC(=O)CN(C)C(=O)c1sc2cccc(F)c2c1COC 52987910 NOWZQTKFUXHQAV-UHFFFAOYSA-N 324.377 2.005 0 40 DEAB Cc1cc(CN2CCN(CCOc3ccccc3)CC2)on1 53399690 NOAMQTBXUUNKTB-UHFFFAOYSA-N 301.390 2.180 0 40 DEAB O=C1C[C@@H](C(=O)N2CCC[C@H]2c2ccsc2)CN1C1CC1 46914379 QEKXDAHFGIAZQR-OCCSQVGLSA-N 304.415 2.423 0 40 DEAB 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SBINBIIFKRWPRA-NSHDSACASA-N 313.313 2.035 0 40 DEAB CCCSc1nc(C)c(I)c(=O)[nH]1 10013951 ORNYQFFOYTVGQK-UHFFFAOYSA-N 310.160 2.185 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc21)c1ccnc(Cl)c1 27442653 AJRMKQMAFQITAT-UHFFFAOYSA-N 316.744 2.481 0 40 DEAB CCCCC(=O)Nc1ccc(S(=O)(=O)NC(=O)CC)cc1 2070848 SRPYLVUJOSGOCD-UHFFFAOYSA-N 312.391 2.030 0 40 DEAB Cn1ccnc1CNC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 89761445 OGNAOODLPSWGBT-CYBMUJFWSA-N 302.353 2.258 0 40 DEAB COc1ccc(CN(C)C(=O)[C@H](C)n2ccnc2)c(OC)c1 44842634 HGWQNSLZFXIKIZ-LBPRGKRZSA-N 303.362 2.120 0 40 DEAB O=S(=O)(CCn1cnc2ccccc21)NC1CCCCC1 10237156 LVMCWJKZJNYOKS-UHFFFAOYSA-N 307.419 2.288 0 40 DEAB CCOC(=O)[C@@]1(O)CC(CC)=NN1C(=O)c1cccc(Cl)c1 59488942 ALWWFCAOHPBMNV-HNNXBMFYSA-N 324.764 2.204 0 40 DEAB COCC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 58215991 BHARQZRIZSCVNH-UHFFFAOYSA-N 305.353 2.253 0 40 DEAB CCOc1ccc(C(=O)N(C)Cc2nnc3ccccn23)cc1 58227570 KCWZBVKPIXDDSN-UHFFFAOYSA-N 310.357 2.400 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCOC1 110710408 RRUDBVJBGNYWNW-WDEREUQCSA-N 312.772 2.211 0 40 DEAB CC[C@](C)(NC(=O)Cn1c(C2CC2)nc2ccccc21)C(=O)O 89941978 WGTWAMLSMQSVHB-KRWDZBQOSA-N 315.373 2.283 0 40 DEAB C[C@@H](C(=O)N1CCC([C@H](O)c2ccccc2)CC1)n1cccn1 75580716 VMYBQBOZWHFKMT-WMLDXEAASA-N 313.401 2.416 0 40 DEAB Cc1ccc(NC(=O)Cn2cnnn2)c(SC(F)(F)F)c1 75581998 GCVNCAGFYVOBOI-UHFFFAOYSA-N 317.296 2.232 0 40 DEAB CCc1noc(CN(C)C(=O)c2cc(OC)c(C)c(OC)c2)n1 60370475 VKFPMDQUUBICBC-UHFFFAOYSA-N 319.361 2.230 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN1CC=C(c2ccccc2)CC1 2658124 RELXKDCKEXENFG-UHFFFAOYSA-N 315.417 2.400 0 40 DEAB CCOC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 4157371 OHYOZKDGSDBNPY-JLUCKKNBSA-N 313.353 2.399 0 40 DEAB CNC(=O)Cc1cc(O)nc(SCc2cccc(Cl)c2)n1 23138214 ZPVXXIRPLYPPLW-UHFFFAOYSA-N 323.805 2.416 0 40 DEAB Cc1ccc(NC(=O)CCNc2nc(N)c3ccccc3n2)nc1 95449332 LKHBOVQBIYBNEK-UHFFFAOYSA-N 322.372 2.356 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1CCOc1ccccc1F 14014968 QISGTCLKCWCJHK-INIZCTEOSA-N 314.360 2.117 0 40 DEAB COC(=O)N1CCC(NCc2cc(OC)cc(OC)c2)CC1 67254963 PRUGUGOMNFCBDS-UHFFFAOYSA-N 308.378 2.024 0 40 DEAB COc1cccc(-c2cc(C(=O)OCCn3cccn3)[nH]n2)c1 95423465 KUYAPMLNNXWOBA-UHFFFAOYSA-N 312.329 2.139 0 40 DEAB NC(=O)c1ccsc1NC(=O)CN1CCC[C@H]2CCCC[C@@H]21 7587623 BAEFTPSDUJJLBA-YPMHNXCESA-N 321.446 2.440 0 40 DEAB CCOC1CCN(C(=O)NCC[S@](=O)c2ccccc2)CC1 96408931 MGIWGUVFKHANOD-JOCHJYFZSA-N 324.446 2.005 0 40 DEAB CN1CCc2c(sc3ncn4nc(-c5ccncc5)nc4c23)C1 19995809 MRSHGJJNGDSZQM-UHFFFAOYSA-N 322.397 2.389 0 40 DEAB COC(=O)[C@@H](C)N1CCC(C(=O)c2cc(F)ccc2F)CC1 69462398 IBXGMSLBQSJPNH-SNVBAGLBSA-N 311.328 2.421 0 40 DEAB C[C@@H](Cc1c(F)cccc1F)NC(=O)NCCc1cnn(C)c1 69416697 CNIXMFZPFPMDKV-NSHDSACASA-N 322.359 2.171 0 40 DEAB COc1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1 71926414 BRRMCSHCIPEMJW-HNNXBMFYSA-N 300.358 2.420 0 40 DEAB Cc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)co1 71910218 QWASTKORXWLTGG-UHFFFAOYSA-N 324.427 2.388 0 40 DEAB CCC(CC)S(=O)(=O)NCc1ccc(-n2cccn2)cc1 69899838 XFTSUGMSYVDEAV-UHFFFAOYSA-N 307.419 2.480 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1ccc2c(c1)CCO2 69808207 CSGRMXNNTWCNST-SJORKVTESA-N 314.429 2.249 0 40 DEAB Cc1ccc(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)cc1 18244891 LISIAKWDOSONKK-UHFFFAOYSA-N 322.320 2.271 0 40 DEAB C[C@@H](N[C@@H](CO)c1ccccc1)C(=O)N(C)C1CCCCC1 97081898 POFLZGYXHNJQSV-PBHICJAKSA-N 304.434 2.489 0 40 DEAB CCc1csc([C@@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 72282240 QFJRVCRJYKWYLS-NWDGAFQWSA-N 319.434 2.264 0 40 DEAB CCC(CC)[C@@H](O)CNC(=O)Nc1cnn(CC(F)(F)F)c1 72294258 QEXCURNYLOISTQ-NSHDSACASA-N 322.331 2.364 0 40 DEAB Cc1ccc(NC(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc1Cl 98072294 ZSKCFKKNFAXGJG-ZDUSSCGKSA-N 316.810 2.347 0 40 DEAB COC(=O)[C@H](NC(=O)/C=C/c1cccnc1)c1ccc(C)cc1 74016072 GBNQMGCXVHHZLX-PYUISTEWSA-N 310.353 2.434 0 40 DEAB CS(=O)(=O)CC1(CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 95975395 PZDIHXMFLYZFDP-ZIAGYGMSSA-N 313.463 2.383 0 40 DEAB CCCCN(C)C(=O)Nc1ccccc1CN1CCNC1=O 95939227 ZVROLVPCGSDCIO-UHFFFAOYSA-N 304.394 2.476 0 40 DEAB N[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 95971693 XNISMYMCKNLGNV-KRWDZBQOSA-N 319.424 2.382 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C=C2CCC2)cc1 129284202 DCGNTCOTIPYQLW-CYBMUJFWSA-N 307.415 2.384 0 40 DEAB CC(=O)Nc1nc([C@@H]2CCCN(Cc3ncc[nH]3)C2)cs1 72368022 QLQZVVVNOKBDJD-LLVKDONJSA-N 305.407 2.204 0 40 DEAB COc1nc(C)cc(C)c1CNC(=O)CC1(O)CCCCC1 73309281 DQNUSRPOQGIDES-UHFFFAOYSA-N 306.406 2.409 0 40 DEAB CC(C)(C)[C@@H](O)CCNC(=O)CCc1ccc2c(c1)OCO2 72243168 ZKMSLSVRYNATLJ-HNNXBMFYSA-N 307.390 2.261 0 40 DEAB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@](C)(C(=O)O)C1 71979468 VASWYUSOVOEJIO-AWEZNQCLSA-N 310.737 2.313 0 40 DEAB Cc1cccc(N2CCN(C(=O)CC3(O)CCCC3)[C@H](C)C2)n1 73727000 ISGCTVDNWBNPKT-OAHLLOKOSA-N 317.433 2.122 0 40 DEAB c1ccc(Cc2nnc([C@H]3CCN(c4ncccn4)C3)o2)cc1 49171296 QOGLTJWMFYJPRY-AWEZNQCLSA-N 307.357 2.444 0 40 DEAB biogenic,in-vitro c1ccc(C[C@@H]2CC[C@H](N[C@H]3CCc4nnnn4CC3)C2)cc1 564809798 VSIWETCMMYLZDW-ULQDDVLXSA-N 311.433 2.379 0 40 DEAB CCN(CC(=O)Nc1cccc(OC)c1)c1ccnc(C)n1 84482570 RDEUIDPMJSSGQG-UHFFFAOYSA-N 300.362 2.259 0 40 DEAB Cn1nc(C(=O)NCc2ccco2)cc1NC(=O)c1ccccc1 40761719 OMZDHGQKWWCSAO-UHFFFAOYSA-N 324.340 2.195 0 40 DEAB Cn1cccc(NC(=O)N2CCc3c(F)cc(F)cc3C2)c1=O 89756704 LBYLHAOUXXAMKI-UHFFFAOYSA-N 319.311 2.254 0 40 DEAB COCCCNC(=S)Nc1ncc(C)cc1Br 223888040 JIKHNMFLCGTHBX-UHFFFAOYSA-N 318.240 2.475 0 40 DEAB COCCOc1ccc(NC(=O)NCCn2cccc2)cc1 84302142 AXVXZRBHNBBVDS-UHFFFAOYSA-N 303.362 2.335 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CC1)CN(Cc1cccnc1)C2 96060245 ONWWIRPYBPNHGA-MRXNPFEDSA-N 312.417 2.341 0 40 DEAB CCOc1cc(N[C@H]2CCN(C(=O)C3CCCC3)C2)ncn1 97096877 MRRJZDAYBXERRI-ZDUSSCGKSA-N 304.394 2.078 0 40 DEAB Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C)CC(=O)O 97228863 GAIXRNZMNUNJEK-VIFPVBQESA-N 321.764 2.427 0 40 DEAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)Cc3cccnc3)C2)C1 96222185 OAWXNECMEAIZNS-FUHWJXTLSA-N 318.417 2.058 0 40 DEAB COC[C@@H]1CN(CC2CC2)Cc2cnn(CC3CCOCC3)c21 96068356 DIQAQOSMRVIJAI-KRWDZBQOSA-N 319.449 2.265 0 40 DEAB CC(C)OCc1ncn2c1CN(C(=O)c1ccccn1)CCC2 96085036 FRWXAADGVJOAPL-UHFFFAOYSA-N 314.389 2.249 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)CCc2nc(C)no2)C12CCCC2 96432528 WLQSHEOKHKQOQC-QWHCGFSZSA-N 307.394 2.165 0 40 DEAB c1ccc(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)nc1 96187182 JFXFJJPXTPSPLY-RYRKJORJSA-N 311.385 2.287 0 40 DEAB Cc1cccc([C@@H]2C[C@H]2C(=O)NC[C@H](O)COCC2CC2)c1 95407018 SHMQUTYHNBPHSD-YESZJQIVSA-N 303.402 2.002 0 40 DEAB CC(C)COCCCNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@@H]2C1 245338762 OKRZQJMDPILEAQ-BBWFWOEESA-N 323.481 2.175 0 40 DEAB CC(C)(O)[C@@H]1CCCN1C(=O)N[C@H]1CCCC[C@H]1n1cccn1 248615964 LWZWHBCABUUYCD-ZNMIVQPWSA-N 320.437 2.312 0 40 DEAB Cc1cncc([C@@H]2CCCN2C(=O)Cc2csc(C)n2)n1 257343757 ZUGYALWEXBGYOW-AWEZNQCLSA-N 302.403 2.456 0 40 DEAB O=C(NCCn1ccc(-c2ccncc2)n1)c1cc(C2CC2)on1 96098809 YXLRMFXCEADAJY-UHFFFAOYSA-N 323.356 2.241 0 40 DEAB C[C@H]1OCC[C@@H]1N(CCO)Cc1ccccc1Br 390834014 QHSWUJAUKXLVKG-RISCZKNCSA-N 314.223 2.421 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2cc[nH]n2)C1 585273876 FKVQZIAMFWGSPG-MRXNPFEDSA-N 305.353 2.219 0 40 DEAB CCc1nc(CNC(=O)c2cscc2C(F)(F)F)n[nH]1 585114194 RWTBPFZFACNTFY-UHFFFAOYSA-N 304.297 2.377 0 40 DEAB CN[C@H]1CCCN(C(=O)c2ccc(Br)cc2F)C1 53202636 DOGYXNPMAKQCNX-JTQLQIEISA-N 315.186 2.412 0 40 DEAB Cc1cc(C[C@H](C)N[C@H](C)CC(=O)N2CCCCCC2)n[nH]1 90528151 ZRWOQHGIVKWCFI-UONOGXRCSA-N 306.454 2.420 0 40 DEAB CCS(=O)(=O)NC[C@H]1CCCC[C@@H]1OCC(F)(F)F 77395457 XYOZYRIDDHAFDI-ZJUUUORDSA-N 303.346 2.063 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(Br)cc2F)CCN1 88058956 KQVWSNQAJAXWFB-MRVPVSSYSA-N 301.159 2.022 0 40 DEAB Cc1nnc(CCCN2CCC[C@@H]2CNC(=O)OC(C)(C)C)o1 89736314 NWQSEQWKNCPSPC-CYBMUJFWSA-N 324.425 2.300 0 40 DEAB CSCCN(C)S(=O)(=O)c1c(C)nn(CC(C)C)c1C 96009960 DCQOURYJYYMYTN-UHFFFAOYSA-N 319.496 2.139 0 40 DEAB Cc1noc(C)c1CN(C)CC(=O)N1CCc2sccc2C1 42133081 YVBQAUYKAZMLSN-UHFFFAOYSA-N 319.430 2.370 0 40 DEAB CNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCCCC2 5302387 CMAMMCJXBKGJKN-UHFFFAOYSA-N 324.402 2.020 0 40 DEAB COc1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1OC 16848294 IBUHIUFCEFYNGS-UHFFFAOYSA-N 301.346 2.178 0 40 DEAB Cc1csc([C@@H](Cc2cccs2)NC(=O)CN(C)C)n1 19240043 UGFWDVYOYZAFCM-GFCCVEGCSA-N 309.460 2.475 0 40 DEAB N[C@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 19402921 UGALPEZPBKJABS-CQSZACIVSA-N 310.332 2.214 0 40 DEAB CC(C)c1nc2ccc(NC(=O)CCn3cnnn3)cc2s1 19453845 BFDYIQURZQYVQN-UHFFFAOYSA-N 316.390 2.435 0 40 DEAB CO[C@]1(COc2cccc(F)c2)CCN(Cc2cn(C)cn2)C1 643914415 QZALIUGEGQGECW-QGZVFWFLSA-N 319.380 2.229 0 40 DEAB O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCC(F)(F)CC1 252492142 MEDFSHAOOYJQKG-LBPRGKRZSA-N 312.316 2.121 0 40 DEAB CC(C)[C@@H](NC(=O)c1cnn(CCF)c1)C1(CO)CCCC1 577506965 MDQUFLDVNTXDQA-CQSZACIVSA-N 311.401 2.160 0 40 DEAB Cc1ccc(OC[C@H]2CCN(c3nc(C4CC4)ns3)C2)nn1 1888843485 CDAIMAZQCSZYGK-NSHDSACASA-N 317.418 2.419 0 40 DEAB CN(Cc1ccccc1Br)C(=O)c1nccnc1N 30550618 FLPICAVLZFSISI-UHFFFAOYSA-N 321.178 2.094 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)OCCN2C(=O)NC(C)(C)C2=O)C1(C)C 30747294 GHKFOQGCCMWNSG-VXGBXAGGSA-N 322.405 2.098 0 40 DEAB COC[C@@H](C)NC(=O)c1cccc(OCc2cscn2)c1 40474276 VJYVWLIYWLULQJ-LLVKDONJSA-N 306.387 2.487 0 40 DEAB CC[C@@H](C(=O)Nc1nc(CC(N)=O)cs1)c1ccccc1 21040465 GWWXBRLVKWTDFD-GFCCVEGCSA-N 303.387 2.303 0 40 DEAB CC(C)S(=O)(=O)c1ccccc1C(=O)NCC(F)(F)F 32979339 QDFUVRUSSWTBNH-UHFFFAOYSA-N 309.309 2.161 0 40 DEAB CCOc1ccccc1-c1noc(CN2CCC[C@@H](O)C2)n1 22383523 HTLNPVMSZHRXEI-GFCCVEGCSA-N 303.362 2.092 0 40 DEAB Cc1nn(C)c2nc(C3CC3)cc(-c3nnc(S)n3C)c12 12394389 PPJSMGLGDHIZPA-UHFFFAOYSA-N 300.391 2.238 0 40 DEAB CCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Cl 8921312 LDMYUUGCYHNPBB-GFCCVEGCSA-N 316.810 2.093 0 40 DEAB CCOCCOc1c(Cl)cccc1NCC1(CO)COC1 79094739 RSJGXKSOBAPLMU-UHFFFAOYSA-N 315.797 2.176 0 40 DEAB CC(C)c1cc(C(=O)NCCN2CCc3sccc3C2)n[nH]1 54220408 QFZZDJZTYFSVPV-UHFFFAOYSA-N 318.446 2.383 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCN(Cc2ccco2)CC1 54481479 YXSZWZFIDTWQAJ-UHFFFAOYSA-N 307.781 2.230 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCCO2 4907749 XYMYKVNTRJRNLZ-AAEUAGOBSA-N 318.373 2.091 0 40 DEAB CCCNC(=O)NC(=O)CSc1nc2ccc(C)cc2[nH]1 6505374 FMMMTNOKVAOPQG-UHFFFAOYSA-N 306.391 2.199 0 40 DEAB COc1ccc(Cc2nn(CN3CCOCC3)c(=S)o2)cc1 23995849 VJWXVFXYGXCQIN-UHFFFAOYSA-N 321.402 2.095 0 40 DEAB COC(=O)c1sc2[nH]c(-c3cccc(C)n3)nc(=O)c2c1C 54753710 RHJQGPPUVWKWKC-UHFFFAOYSA-N 315.354 2.450 0 40 DEAB Cc1nnc(-c2cnn(C)c2N)n1Cc1cccc(Cl)c1 1384167 KNNCPQQTJKCNDE-UHFFFAOYSA-N 302.769 2.271 0 40 DEAB CC(C)N(Cc1ccccn1)C(=O)c1ccnc(-n2cncn2)c1 56097791 DTONFSWDHFYGDV-UHFFFAOYSA-N 322.372 2.108 0 40 DEAB O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1ccco1 25514544 RQZDXANBAOIMKD-LBPRGKRZSA-N 306.387 2.144 0 40 DEAB CCCn1nc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1=O 107309457 JZTMKUWNIDZHGZ-ZOBORPQBSA-N 303.406 2.208 0 40 DEAB CNc1cc(N2CCC[C@H]2CN[C@H](C)c2cccnc2)ncn1 95351538 ZTJFVDHKBCYVFM-HIFRSBDPSA-N 312.421 2.233 0 40 DEAB CSCCC(=O)Nc1cc2c(cc1C(=O)O)OCCCO2 9550365 IKRRILPGNDFMDJ-UHFFFAOYSA-N 311.359 2.238 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(Cl)ccn1 100619142 IECYGRFBGDRNKP-UZUWAKDBSA-N 300.745 2.293 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN2C[C@H](C(N)=O)CC[C@H]2C)cc1 108368263 DEXSYIVQVAQZQK-UKRRQHHQSA-N 312.417 2.471 0 40 DEAB CN(c1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 100626880 ZLZOAZPLHYXCBU-KYOSRNDESA-N 322.430 2.001 0 40 DEAB Cc1nnc(SCC(=O)Nc2ccon2)n1-c1ccccc1 10100497 GWSMNIHYASNXIW-UHFFFAOYSA-N 315.358 2.295 0 40 DEAB COc1ccccc1[C@@H](NC(=O)c1cc[nH]n1)c1ccccn1 89849340 LUTGPNFKHGWCIK-MRXNPFEDSA-N 308.341 2.333 0 40 DEAB Cc1cnc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cn1 58218095 OWWNBYXFXZVCKJ-UHFFFAOYSA-N 316.792 2.401 0 40 DEAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N1CCCC1 3333850 MPSZWIFLFSLGDD-UHFFFAOYSA-N 314.341 2.429 0 40 DEAB CC(C)(C)NC(=S)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 54921993 RGFZJABSYIVKIT-UHFFFAOYSA-N 313.339 2.093 0 40 DEAB Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)n1 28195008 KTLQTIRMHBZPGX-UHFFFAOYSA-N 320.352 2.497 0 40 DEAB COC(=O)CCNC(=O)c1csc(-c2ccccc2OC)n1 58792872 AGHQTHVSDBBLTB-UHFFFAOYSA-N 320.370 2.112 0 40 DEAB CN(C)C1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S1 28757077 AIUZJTVBMQZPEF-SNVBAGLBSA-N 311.794 2.228 0 40 DEAB Cc1nnc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)s1 46469614 WYWCUDMBECJPCM-JTQLQIEISA-N 308.411 2.279 0 40 DEAB COC[C@H](C)NC[C@H](O)COc1cc(Cl)ccc1Cl 2639632 RXUYMXCFIDSZAZ-ONGXEEELSA-N 308.205 2.358 0 40 DEAB C[C@H]1c2ccsc2CCN1Cn1nc2ccccn2c1=O 12914117 SMXOCRKWBIOOEK-NSHDSACASA-N 300.387 2.134 0 40 DEAB CN(C[C@H](O)CO)C(=O)Nc1sc2ccccc2c1Cl 95455764 BTVUIXABAAKMNB-QMMMGPOBSA-N 314.794 2.372 0 40 DEAB CC[C@@H]1CCCCN1C(=O)Cn1nnc(-c2cccc(F)c2)n1 5088950 VOCDYNPZLOKPRM-CQSZACIVSA-N 317.368 2.270 0 40 DEAB CCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 5292771 AXHKSDMVPAEMRL-UHFFFAOYSA-N 317.389 2.172 0 40 DEAB O=C(Cn1nnc2ccccc21)NCc1cc2ccccc2[nH]1 65478222 NTSKUKTUPYZSGZ-UHFFFAOYSA-N 305.341 2.229 0 40 DEAB O=C(NCCc1coc(-c2ccccc2)n1)NC[C@@H]1CCCO1 65518665 FXORTMVIMQVWGI-HNNXBMFYSA-N 315.373 2.362 0 40 DEAB COc1ccc(-n2cnnn2)c(NC(=O)c2cccc(F)c2)c1 6468191 GBPUPUVYXRSLNK-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB CC(C)N(C(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)C(C)C 4515159 AKBWYKICVSJEEJ-CXAGYDPISA-N 323.437 2.133 0 40 DEAB O=C(CCNC(=O)c1ccccc1)Nc1nc2c(s1)CCC2 9483209 BPQVCHDCEZQOHB-UHFFFAOYSA-N 315.398 2.390 0 40 DEAB Cc1nc(-c2cccc(NC(=O)N[C@H](C)[C@H]3CCCO3)c2)n[nH]1 71799585 ZRMRESKEWUPKPA-QMTHXVAHSA-N 315.377 2.469 0 40 DEAB CC(=O)c1c(F)cccc1N1CCN(c2ncccn2)CC1 15111257 MRJLMNBVFDSJDL-UHFFFAOYSA-N 300.337 2.145 0 40 DEAB O=C(c1ccccc1-n1cnnn1)N1CCC2(CCCCC2)C1 95401723 PICIZWZOIYYQSR-UHFFFAOYSA-N 311.389 2.459 0 40 DEAB C[C@H]1c2ccc(F)cc2CCN1C(=O)CNC(=O)c1ccco1 95429608 ZQTLDLPHMLOVEL-NSHDSACASA-N 316.332 2.294 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1 7058946 DPKBBCSWQDIEGG-NSHDSACASA-N 319.386 2.080 0 40 DEAB CCOc1cccc(C(=O)NCCC(=O)Nc2ccncc2)c1 71892642 YYLIHQGLKLNSKI-UHFFFAOYSA-N 313.357 2.239 0 40 DEAB CC(C)(C)c1cnc(CN(CC(N)=O)Cc2ccccc2)o1 71900604 BLAPZZKBRPALMS-UHFFFAOYSA-N 301.390 2.460 0 40 DEAB Cc1cc(NC(=O)C(C)(C)S(C)(=O)=O)ccc1N1CCCC1 71903358 ASLZLADYFLFSML-UHFFFAOYSA-N 324.446 2.357 0 40 DEAB CN(Cc1nc[nH]n1)C(=O)COc1ccc(Cl)c(Cl)c1 71914699 VELQGUFEULOPSW-UHFFFAOYSA-N 315.160 2.149 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2sccc2Br)C1 70165467 LKVLIMWBDKPCOT-ZETCQYMHSA-N 318.192 2.447 0 40 DEAB Cc1cccc(CCNC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 69485114 LXIKAQXZRUMPSB-UHFFFAOYSA-N 324.380 2.175 0 40 DEAB COc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cn1 8513845 PHFOFBQXBUSYQI-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)NCCCN(C)C)cc2)n1 69738866 AVAWGGRKYILREF-UHFFFAOYSA-N 314.433 2.230 0 40 DEAB CCOc1ccc(N[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 9885346 AWVCMXFLVSEMCX-SNVBAGLBSA-N 302.382 2.092 0 40 DEAB CCc1nnc2n1C[C@@H](CNc1ncnc3ccccc13)CC2 72276448 JNUAYQGWMIQDKN-GFCCVEGCSA-N 308.389 2.458 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1ccc3c(c1)CC(C)(C)O3)CC2 72274445 JNDVJNISBWBONX-HNNXBMFYSA-N 312.417 2.405 0 40 DEAB C[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)[C@@H]1CCCO1 72270117 ANUSMNGBZXHFBM-HZMBPMFUSA-N 314.332 2.210 0 40 DEAB C[C@H](Cn1cccn1)OC(=O)c1ccc(N2CCCC2)nc1 97141535 OJSJMBGUHCOFCM-CYBMUJFWSA-N 300.362 2.124 0 40 DEAB Cc1ccc(C(=O)NC[C@H]2CCN(C)c3ccccc32)c(=O)[nH]1 75120860 VZBZMGDAIAULRX-CYBMUJFWSA-N 311.385 2.037 0 40 DEAB CCn1nc(C)c2c1cnn2CCNC(=O)c1cccs1 72240929 NGXYLBNAWDXVND-UHFFFAOYSA-N 303.391 2.053 0 40 DEAB CCN1CCCC[C@H]1CNC(=O)N[C@H](C)Cn1nc(C)cc1C 110585407 JZIBAORNXFOYJW-ZBFHGGJFSA-N 321.469 2.062 0 40 DEAB COc1ccc(CCC(=O)NCCCn2ccnc2)cc1OC 20490312 RSRABMMKUHMGJG-UHFFFAOYSA-N 317.389 2.039 0 40 DEAB CC1CCN(CCNC(=O)c2cc(-c3ccco3)[nH]n2)CC1 65574991 PEZOLKUTEBLVFV-UHFFFAOYSA-N 302.378 2.131 0 40 DEAB CCOc1ccccc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409123757 HUONQHHJYXIXLI-YRNVUSSQSA-N 307.327 2.206 0 40 DEAB C[C@]1(CNCCn2cc(Br)cn2)CCCCO1 1560820854 HPYDIUUCQGNRPB-GFCCVEGCSA-N 302.216 2.194 0 40 DEAB COc1nn(C)cc1C(=O)Nc1cnn(-c2ccccc2)c1C 1536213837 VRQJSDSNFOHYEW-UHFFFAOYSA-N 311.345 2.175 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCCN([C@@H](C(=O)O)c2ccco2)C1 215747926 PQGTXKSAXBQQSL-WCQYABFASA-N 324.377 2.394 0 40 DEAB O=C(NCCCc1c[nH]c2ccccc12)NC[C@H]1CCOC1 78663550 ZMORKGJBBXWPRP-CYBMUJFWSA-N 301.390 2.436 0 40 DEAB Cc1cc(C)c(NC(=O)C(=O)NCC[C@@H](O)C(C)(C)C)c(C)c1 75157830 QXACZJPIWFZQGF-CQSZACIVSA-N 320.433 2.464 0 40 DEAB Cc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 222378514 ZYWHXLZVMCTBKH-QYPXNLQLSA-N 308.381 2.418 0 40 DEAB CCc1noc([C@H]2CCCCN2C(=O)c2cnn(CC)c2)n1 41122728 FEQXWMQWHHAWHN-GFCCVEGCSA-N 303.366 2.216 0 40 DEAB Cn1cc([C@@](C)(O)CN[C@@H](c2ccccc2)c2ccccn2)cn1 195553608 ZPNXABFKWVOQJZ-OALUTQOASA-N 322.412 2.402 0 40 DEAB COc1cc(I)c(OC)c(C(=O)O)c1 225280451 CIXLTWZXSOJHBA-UHFFFAOYSA-N 308.071 2.007 0 40 DEAB CC[C@H](C)c1noc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 41122081 URAFEIXZFHDQSD-AAEUAGOBSA-N 307.394 2.468 0 40 DEAB CCOc1ccccc1C(=O)Nc1nn2c(C)nnc2s1 41076409 IURHPWDDSAIWRE-UHFFFAOYSA-N 303.347 2.145 0 40 DEAB C[C@H](Nc1ccnc2c(F)cccc12)C(=O)N1CCOCC1 195578549 SPWNESUCRFBRKO-NSHDSACASA-N 303.337 2.033 0 40 DEAB CC[C@H](C)[C@H](CO)NC(=O)c1ccc2c(ccn2CCOC)c1 575444461 DCJLBGYSZODLKL-BBRMVZONSA-N 318.417 2.425 0 40 DEAB CS[C@@H]1CCCC[C@H]1NC(=O)CCCCCNC(C)=O 96416550 HBNAOCRYACHPLU-ZIAGYGMSSA-N 300.468 2.473 0 40 DEAB C[C@@H](NC(=O)Nc1ccc(C(C)(C)C)nn1)c1cnn(C)c1 96476191 HVVJHMQTGRTRTF-SNVBAGLBSA-N 302.382 2.390 0 40 DEAB CCn1nccc1NS(=O)(=O)c1ccc2c(c1)CCCC2=O 578963027 UZTHSZSNYFOZQW-UHFFFAOYSA-N 319.386 2.223 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)NCCSC1CCOCC1 238852528 JPMPLOZQWDXSBR-CYBMUJFWSA-N 309.431 2.482 0 40 DEAB CCO[C@@H]1C[C@H](NCC2(N(C)C)CCOCC2)C12CCCC2 96493395 BLZHLCFVNYYDPX-JKSUJKDBSA-N 310.482 2.425 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](NC(=O)c3ccco3)C2)c1 96450077 RVDFBDIBDYUMEA-GFCCVEGCSA-N 316.357 2.306 0 40 DEAB COC(=O)CNC(=O)c1ccc(COc2ccc(Cl)cc2)o1 141410036 GIDJPVNYTJLDHB-UHFFFAOYSA-N 323.732 2.415 0 40 DEAB CSC[C@@H](C)N(C)S(=O)(=O)c1cc(F)c(F)c(F)c1 96428091 JGHSKQUCISZKTP-SSDOTTSWSA-N 313.366 2.476 0 40 DEAB O=C(c1cscn1)N1C[C@H]2CN(Cc3cccc(F)c3)[C@H]2C1 96244910 GPKUCBVVBZYUCC-DOMZBBRYSA-N 317.389 2.239 0 40 DEAB CN1CCOC[C@@]2(CCCN(C(=O)c3cccc(F)c3)C2)C1 96228731 PAPPWRWDENJMCM-KRWDZBQOSA-N 306.381 2.010 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COc1ccccc1 245204566 DKAGUDWLMJDDMO-IMJJTQAJSA-N 317.385 2.398 0 40 DEAB O=c1oc2ccccc2n1[C@H]1CCCN(C[C@H]2CCOC2)C1 247797997 DLCHUJATCCOBPN-KGLIPLIRSA-N 302.374 2.268 0 40 DEAB O=C(N1CCC(CO)CC1)C1(Cc2ccccc2)CCOCC1 257332888 XZFHAGZBFGILTC-UHFFFAOYSA-N 317.429 2.257 0 40 DEAB COc1ccc(-c2noc([C@H](C)O)c2C(=O)N2CCC2)cc1 253408716 YRVSVRAXAXRUDZ-JTQLQIEISA-N 302.330 2.249 0 40 DEAB biogenic,in-vitro COC[C@H]1CN(Cc2ccc(Cl)cc2)CCN(C(C)=O)C1 257246348 ITRJSHIPSKFXLH-HNNXBMFYSA-N 310.825 2.267 0 40 DEAB O=C(c1ccnc(N2CCCC2)c1)N1CC[C@@H](c2ccn[nH]2)C1 257256172 KKJGDRWUTSJKTO-CQSZACIVSA-N 311.389 2.035 0 40 DEAB c1cc2n(n1)[C@@H](CCN1CCCCC1)CN(C1CCOCC1)C2 253588468 DPUXDYPNKSFAIF-SFHVURJKSA-N 318.465 2.295 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257288856 PVZJZQYLOXQLKU-OAHLLOKOSA-N 322.372 2.372 0 40 DEAB CNC(=O)C[C@@H]1CN(Cc2cccc(Cl)c2)Cc2ccnn21 585112969 XFIAHOFDWDWWAJ-OAHLLOKOSA-N 318.808 2.230 0 40 DEAB OC[C@@]1(Cc2ccccc2F)CN(Cc2cccnc2)CCO1 585275294 CKQQUMHPOWBEDF-GOSISDBHSA-N 316.376 2.027 0 40 DEAB Cc1nc(CN2CCC(COc3ncnc(C)c3C)CC2)no1 1776001294 JZAVSENXSADLGA-UHFFFAOYSA-N 317.393 2.076 0 40 DEAB CN(C(=O)Nc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O 75139342 VUIKABUFZWMAQE-OAHLLOKOSA-N 310.357 2.351 0 40 DEAB O=c1[nH]c(=O)n(CCOc2ccc(F)cc2Cl)cc1Cl 93904299 ALXQZCRSFYHFNL-UHFFFAOYSA-N 319.119 2.062 0 40 DEAB O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@@]1(O)CCSC1 82967705 SWYYQXNFXUJGBQ-ZDUSSCGKSA-N 319.348 2.232 0 40 DEAB C[C@H](NC(=O)c1ccccc1-n1cnnn1)[C@H]1C[C@H]2CC[C@H]1C2 104103949 KHOWAXQNJUYCMM-PWNZVWSESA-N 311.389 2.217 0 40 DEAB Cc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1 154154 GDABTFLMRDGWOL-UHFFFAOYSA-N 305.359 2.286 0 40 DEAB O=C(c1cccnc1O)N1CCCN(Cc2cccs2)CC1 40514243 ZZIHCLZAQFPRMF-UHFFFAOYSA-N 317.414 2.197 0 40 DEAB CCSc1nnc(CCNC(=O)NC2CCCCC2)n1C 5001745 YFKAMDZPFHPPAY-UHFFFAOYSA-N 311.455 2.102 0 40 DEAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 5175453 ALIIIWWOFFCEST-VZAMPYOESA-N 311.337 2.209 0 40 DEAB CC(=O)c1c[nH]c(C(=O)OCc2nc(N)c3ccccc3n2)c1 18381813 FXVBYYVZYGRZEL-UHFFFAOYSA-N 310.313 2.100 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@H](c2cnccn2)C1 19350198 OZTSFVZCLOXRPZ-ZDUSSCGKSA-N 315.348 2.401 0 40 DEAB Cc1nc2scc(C3CC3)n2c1CNC[C@]1(C)CCC(=O)N1 571762015 WWBLIAKKXFDGCZ-INIZCTEOSA-N 318.446 2.340 0 40 DEAB COC(=O)c1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1 33359065 VREOHBULJZYTSR-UHFFFAOYSA-N 316.338 2.060 0 40 DEAB in-vitro CC1CCN(CCC(=O)NC(=O)NCc2ccccc2)CC1 11235523 KZTIJGPLSIGBGL-UHFFFAOYSA-N 303.406 2.134 0 40 DEAB O=C(C1CCC1)N1CCC(COc2ccc3nccn3n2)CC1 1888847445 FYDWSGCGTWWLDI-UHFFFAOYSA-N 314.389 2.147 0 40 DEAB COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 6486037 UJLLRYPWMMCEOA-UHFFFAOYSA-N 317.794 2.301 0 40 DEAB O=C(N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1)C1(F)CCC1 1565546567 HGQSCOZKALJOSS-ZBFHGGJFSA-N 319.380 2.146 0 40 DEAB CC(C)N1CCC(CNC(=O)c2ccc3c(c2)OCO3)CC1 23127910 DBOUYKVZAOOEBJ-UHFFFAOYSA-N 304.390 2.266 0 40 DEAB Cc1nc(C)c(CN2CCN(Cc3cnn(C)c3)[C@@H](C)C2)s1 2298029954 IRNMNXUKMSGDNX-LBPRGKRZSA-N 319.478 2.200 0 40 DEAB Cn1ncc2c(N3CCN(CC4CCCCC4)CC3)ncnc21 40488140 VYKDPHFOLXDRPF-UHFFFAOYSA-N 314.437 2.066 0 40 DEAB Cc1cccc(CS(=O)(=O)[C@H](C)C(=O)Nc2cc(C)on2)c1 40496776 HQRYUTUACHFWQF-GFCCVEGCSA-N 322.386 2.233 0 40 DEAB CCN(C(=O)Cn1nnc(-c2cccc(Cl)c2)n1)C1CC1 32327327 NFVVOVGTIFLVRW-UHFFFAOYSA-N 305.769 2.004 0 40 DEAB COc1cc(-c2nn3c(C)nnc3s2)cc(OC)c1OC 385105 ZNZQJIJASNZFKY-UHFFFAOYSA-N 306.347 2.187 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ncccc1O 32721935 NTAOOHQZELWHIT-UHFFFAOYSA-N 300.314 2.180 0 40 DEAB COc1ccccc1CNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1CC2 102353408 UBLKZTYOVDUFHT-APYUEPQZSA-N 315.369 2.224 0 40 DEAB COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1NC(=O)CCc1ccsc1 102747926 ZAJIUVPLTJPNDS-VIRABCJISA-N 307.415 2.385 0 40 DEAB O=C(C[C@@H]1C=CCC1)NCCS(=O)(=O)Cc1ccccc1 41655898 WCDJWNKMNHARJY-CQSZACIVSA-N 307.415 2.074 0 40 DEAB CCc1n[nH]c(S[C@@H](C)C(=O)NCc2ccc(F)cc2)n1 22284507 SVPQKTIYVSOLQN-VIFPVBQESA-N 308.382 2.303 0 40 DEAB O=C(NCC(=O)N1CCCC1)c1cc(C2CC2)nc2ccccc12 41866878 NXBKDPJVCWWVJC-UHFFFAOYSA-N 323.396 2.464 0 40 DEAB O=C(NCCOc1ccc2c(c1)OCO2)c1cc(C2CC2)on1 61722310 ZJIOIEPHQSGRSZ-UHFFFAOYSA-N 316.313 2.090 0 40 DEAB CN(C)C[C@@H]1CCCN1c1cc(-c2ccccc2)nc2ncnn12 79096120 ATYRULJCVFQAEB-HNNXBMFYSA-N 322.416 2.322 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCO[C@H]2CCCC[C@H]21 79314374 ZOEOICXHOBEAER-CVEARBPZSA-N 312.369 2.312 0 40 DEAB CCc1ccc2nc(NC(=O)N3CC[C@@H](C(N)=O)C3)sc2c1 47793855 BIOXMVGBVRYHQD-SNVBAGLBSA-N 318.402 2.198 0 40 DEAB COCC(=O)Nc1nc(-c2cc(OC)ccc2OC)cs1 22845611 DIKAIGNCNLVWHY-UHFFFAOYSA-N 308.359 2.412 0 40 DEAB O=C(NCCCn1cccn1)N[C@@H]1CCOc2ccccc21 47867310 FYZACVIYMJJBPC-CQSZACIVSA-N 300.362 2.096 0 40 DEAB CC(C)Oc1nccnc1NC1CCN(c2ncccn2)CC1 97049894 OAEVCYXPOZCXDJ-UHFFFAOYSA-N 314.393 2.135 0 40 DEAB COc1ccccc1[C@@H](CNC(=O)c1c(C)noc1C)N(C)C 23794341 DTURRMCGTPJQOQ-CQSZACIVSA-N 317.389 2.333 0 40 DEAB CCOC(=O)N1CCC(N[C@H](C)[C@@H](O)c2ccc(F)cc2)CC1 97036847 LIYNXKGJRAPLJU-MLGOLLRUSA-N 324.396 2.458 0 40 DEAB Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 8570768 PCDCIJHLTCJDRU-XNTDXEJSSA-N 322.320 2.367 0 40 DEAB CCOc1ccc(CNC[C@H]2CN(C3CC3)CCO2)cc1OC 106379872 UAGFZFXMWTZGDU-INIZCTEOSA-N 320.433 2.047 0 40 DEAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1C(=O)N(c3ccccn3)C(=O)[C@@H]21 102984144 LLBBWARKCUMGMJ-ZCPGHIKRSA-N 318.332 2.041 0 40 DEAB Cc1ccccc1-c1nc(C(=O)N2CCS(=O)CC2)cs1 108272114 SEBXNJJIFZDDPE-UHFFFAOYSA-N 320.439 2.323 0 40 DEAB COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)N[C@H](C)CCC(C)C 108392459 BPMFWYUZDBFRNQ-MCIONIFRSA-N 319.467 2.462 0 40 DEAB COCCOCCC(=O)NCc1cc(-c2ccc(C)cc2)no1 58162300 PCDSVHGBSOWIPD-UHFFFAOYSA-N 318.373 2.319 0 40 DEAB CC(C)CCNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 58404352 WNCDPIKRFQPWST-WFASDCNBSA-N 301.452 2.347 0 40 DEAB CC[C@H]1CCCCN1C(=O)N[C@@H](CCSC)C(=O)OC 2427527 AUKPPWQMRAQPGL-RYUDHWBXSA-N 302.440 2.255 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)C)cc1NCc1c(C)noc1C 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0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H](c2ccsc2)N(C)C)n1C 48260487 RYIRHFOYGXHRRS-HNNXBMFYSA-N 320.462 2.497 0 40 DEAB O=C(NCCCCCO)C(=O)Nc1ccc(Cl)cc1Cl 170329000 UVVKZYHIUKZSIS-UHFFFAOYSA-N 319.188 2.211 0 40 DEAB COc1c(C)cnc(CN(C)C(=O)c2cc(C)nn2C)c1C 58957625 ZZTQRSAOYILPOA-UHFFFAOYSA-N 302.378 2.021 0 40 DEAB Cc1ccc(CN(C)C(=O)CCNC(=O)c2cccs2)o1 36674657 HRMPHIXACKVQMR-UHFFFAOYSA-N 306.387 2.428 0 40 DEAB Cc1ccccc1NCN1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100395151 ZYWHXLZVMCTBKH-WQXBFISLSA-N 308.381 2.418 0 40 DEAB O=C1CCC(=O)N1c1nn(Cc2ccc(F)cc2)cc1Cl 2732431 IKCBZGTYJSLISF-UHFFFAOYSA-N 307.712 2.377 0 40 DEAB CCC(=O)N[C@H](CCSC)C(=O)Nc1ncc(C)s1 48609319 KDAMZFPWOUPDAI-SECBINFHSA-N 301.437 2.038 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)O 4082249 GYHAWRDFSMFCKS-DGCLKSJQSA-N 323.370 2.137 0 40 DEAB biogenic C[C@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@@H](C)O1 97140998 WOTBSWQJOIOOPG-SMDDFHAHSA-N 310.419 2.206 0 40 DEAB 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VYEGYOXRLVTHHB-MRXNPFEDSA-N 319.382 2.172 0 40 DEAB Cc1ccc(C(=O)NC2CCN(CCc3ccncc3)CC2)o1 51097836 PACDAOWKDVHQJH-UHFFFAOYSA-N 313.401 2.420 0 40 DEAB Cc1nnc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)s1 40526503 AVZSQJKLYKCWTH-SNVBAGLBSA-N 312.782 2.355 0 40 DEAB CS(=O)(=O)Cc1noc(CN2[C@H]3CC[C@H]2c2ccccc23)n1 101369687 TXYIFHTXNBAHRD-STQMWFEESA-N 319.386 2.006 0 40 DEAB COc1cc(CNS(=O)(=O)c2cc(C)ccc2F)ccn1 32412889 XLUPZUOYZKHNMG-UHFFFAOYSA-N 310.350 2.016 0 40 DEAB COC(=O)c1sccc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102362469 GPPOSTGGXNZMDD-UUTMEEIUSA-N 323.370 2.220 0 40 DEAB CCCN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 52584858 JWFDOSMBPXPFHY-UHFFFAOYSA-N 308.422 2.240 0 40 DEAB O=C(NC[C@H](O)c1ccccc1)c1cncn1-c1ccccc1 52819475 ZMCOCKVLRUMQBS-KRWDZBQOSA-N 307.353 2.336 0 40 DEAB CCc1ccc(OCc2nnc(SCC(N)=O)n2CC)cc1 419159 MCSBNSXVRUKCJY-UHFFFAOYSA-N 320.418 2.017 0 40 DEAB CN(Cc1nc[nH]n1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 78006831 QKPBQKPONFUOAX-UHFFFAOYSA-N 308.769 2.274 0 40 DEAB COCc1csc(NC(=O)NCCN2CCC(C)CC2)n1 78938277 XGSLBQVAGNVYBY-UHFFFAOYSA-N 312.439 2.143 0 40 DEAB C1CCC(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)C1 24052776 YCPHBWOVQHTAOP-UHFFFAOYSA-N 302.426 2.427 0 40 DEAB CCOc1cc(CNC(C)(C)C)cc(Cl)c1OCC(N)=O 8253741 SCSXAOGYXCFHNC-UHFFFAOYSA-N 314.813 2.491 0 40 DEAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CNCCO2)n1 72343420 GIIJFVOKZHIBEA-CQSZACIVSA-N 302.353 2.010 0 40 DEAB CCCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1ccncc1 57421262 WVSMNCCZDOFAPU-UKRRQHHQSA-N 303.406 2.440 0 40 DEAB Cc1ccc(C2=CCN(C(=O)[C@H]3CCN(C)C(=O)C3)CC2)cc1 44337462 WQQKVOJDMQJXQC-KRWDZBQOSA-N 312.413 2.479 0 40 DEAB CCn1c(=O)n(Cc2nnc(SC)s2)c2ccccc21 58114394 QZHMSXADUZWMQP-UHFFFAOYSA-N 306.416 2.445 0 40 DEAB CC(=O)N1CCC(NC(=O)CCc2ccc(Cl)cc2)CC1 48231085 QPKOUDHFAOEMLM-UHFFFAOYSA-N 308.809 2.400 0 40 DEAB COc1cccc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)c1 48274435 NQEAFBDFDFBQTQ-UHFFFAOYSA-N 310.357 2.467 0 40 DEAB CCOC(=O)NCCC(=O)Nc1nc(-c2ccccc2)ns1 58407114 HUIVDFYOUVQGRP-UHFFFAOYSA-N 320.374 2.280 0 40 DEAB Cc1nc(CN2CC[C@H]3[C@H]2CC(=O)N3c2cccnc2)cs1 107251806 VNKAFTOJVMKQEW-LSDHHAIUSA-N 314.414 2.226 0 40 DEAB CCn1nccc1CNC(=O)[C@H]1CCCN1Cc1ccccc1 28236505 SULOTRRGZIKAFR-QGZVFWFLSA-N 312.417 2.184 0 40 DEAB Cc1cc(C)n2nc(CC(=O)N(C3CC3)[C@@H](C)C(C)C)nc2n1 59251637 QTANAQGRQNJTKP-ZDUSSCGKSA-N 315.421 2.319 0 40 DEAB C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)c1cc[nH]c1 92988825 BRRKLGSGXHLLEK-NWDGAFQWSA-N 307.394 2.485 0 40 DEAB CCCCOc1nc(N)c2nc(OC)n([C@@H]3CCCCO3)c2n1 59865783 PREBKSFTAAUDLM-JTQLQIEISA-N 321.381 2.295 0 40 DEAB Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1cccnc1)C2=O 29519245 PWNCIZYHWRUBRF-LLVKDONJSA-N 309.325 2.013 0 40 DEAB COc1cc([C@H]2CNCc3cc(O)c(OC)cc32)ccc1O 24717562 DBYFOBQHECKLQR-CYBMUJFWSA-N 301.342 2.350 0 40 DEAB COc1ccc(CNC(=O)COC(=O)c2ccccc2C)cc1 3488065 DDJSUKNRWAKXEO-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB Cc1c(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)nn1C 2765803 YUJNENNTPHYYAM-UHFFFAOYSA-N 307.737 2.041 0 40 DEAB Cc1nc(NC(=O)Cn2nnc(-c3ccccc3)n2)sc1C 2788425 MBEMFGDXBBSNKT-UHFFFAOYSA-N 314.374 2.052 0 40 DEAB COc1ccc2c(C)c(CC(=O)NC3CC3)c(=O)oc2c1C 4086267 NSYLHVTYBDKJRY-UHFFFAOYSA-N 301.342 2.240 0 40 DEAB biogenic Cc1cc(C)cc(NCCC(=O)NCCNc2cnccn2)c1 64865107 OIDJCZMSZATETI-UHFFFAOYSA-N 313.405 2.124 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)[nH]n1 170680029 DYEVUOUVFDPRJN-NSHDSACASA-N 301.394 2.450 0 40 DEAB O=C(NCC(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 14249986 GPHINYCOOBHUKZ-UHFFFAOYSA-N 300.280 2.058 0 40 DEAB CCn1c([C@H](C)NC(=O)c2ccc(OC)cc2)n[nH]c1=S 4739074 UECHHMSVDSXARC-VIFPVBQESA-N 306.391 2.460 0 40 DEAB CCC[C@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1 66404915 IAYOFVSLZWVJHF-WBVHZDCISA-N 303.450 2.280 0 40 DEAB Cc1cc(OC[C@@H](O)CN(C)CCO)c(C(C)C)cc1Cl 6938883 FCJQUICJQYGJKP-ZDUSSCGKSA-N 315.841 2.436 0 40 DEAB C[C@@](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)O)C1CC1 97036229 ABLSDRFLBJHAHS-INIZCTEOSA-N 317.320 2.199 0 40 DEAB CC(C)n1nnnc1-c1ccc(NC(=O)[C@@H]2CCCO2)cc1F 97084784 OXLUORKNQLYMIB-ZDUSSCGKSA-N 319.340 2.178 0 40 DEAB CCOC(=O)C1CCN(CC(=O)N[C@H](C)c2cccs2)CC1 7663556 JNBRDFBXMWCEJK-GFCCVEGCSA-N 324.446 2.200 0 40 DEAB O=C(c1ccccc1Cl)N1CCN([C@@H]2CCC[C@@H]2O)CC1 72235825 MHRNGESLAWLLOA-CABCVRRESA-N 308.809 2.011 0 40 DEAB C[C@H]1CCCN(C(=O)COCC(=O)N2CCC[C@@H](C)CC2)CC1 68784509 MOXYRBZFHBXSNH-IYBDPMFKSA-N 324.465 2.300 0 40 DEAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2O)cc1OC 8209512 GPOQAEJTDMXKKB-QGZVFWFLSA-N 317.385 2.278 0 40 DEAB Cn1ccnc1SCc1nc(-c2ccc3c(c2)OCO3)no1 69375701 HMPDUFZNLPTKHR-UHFFFAOYSA-N 316.342 2.491 0 40 DEAB O=c1[nH]c2c(cnn2-c2ccccc2)c(=O)n1C1CCCCC1 20799782 AIXCYFULCFYQLV-UHFFFAOYSA-N 310.357 2.381 0 40 DEAB CC(C)c1nc([C@@H]2CCCN2C(=O)CCn2ccnc2)no1 72299439 CUMDXKXDVJSZPK-LBPRGKRZSA-N 303.366 2.143 0 40 DEAB O=C(CN1CCc2cncnc2C1)N[C@@H](c1ccccc1)C1CC1 69490093 ZMFKEHXNMCXFBF-IBGZPJMESA-N 322.412 2.102 0 40 DEAB O=C(CN1C(=O)C2(CCCC2)N=C1O)NCCC1=CCCCC1 8577583 XZWMZMUPFGXKAD-UHFFFAOYSA-N 319.405 2.062 0 40 DEAB CC(=O)Cc1nsc(N(C)C(=O)/C=C/c2ccc(C)o2)n1 71893512 VJPQBVSOPGIIRQ-VOTSOKGWSA-N 305.359 2.247 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)Nc2nc(C)cs2)c1 69841510 OBRIAGLJEZRAED-NWDGAFQWSA-N 307.423 2.134 0 40 DEAB COc1ccc(N2C(=O)C[C@H](NCc3ccccc3)C2=O)cc1 18284786 KCEGQKSEICFHFM-INIZCTEOSA-N 310.353 2.117 0 40 DEAB CC(=O)c1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 8780258 TUHHXIONDLIBSX-UHFFFAOYSA-N 300.337 2.145 0 40 DEAB CC1(CCNC(=O)NC[C@@H]2C[C@@H]2c2ccccc2)OCCO1 97115794 OLBZRULZAQWUQT-LSDHHAIUSA-N 304.390 2.242 0 40 DEAB NC(=O)[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(F)cc1 97146955 ZUQLMMCUAGVLJX-GFCCVEGCSA-N 314.307 2.294 0 40 DEAB CCCN(CC(=O)OCC)C(=O)[C@H](C)Oc1ccc(OC)cc1 84755142 LJYFVXYHAWUTBW-ZDUSSCGKSA-N 323.389 2.264 0 40 DEAB Cc1cccnc1CNC(=O)NC[C@@H]1CC(=O)Nc2ccccc21 95408166 QITMDDUDYKCAQC-ZDUSSCGKSA-N 324.384 2.315 0 40 DEAB Cc1cc(CC(=O)NCC2(c3ccc(F)cc3F)CC2)n[nH]1 95446382 QFGBTXBPTWEROU-UHFFFAOYSA-N 305.328 2.387 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)o1 73688709 YKZMJZSZNSGQEM-UWVGGRQHSA-N 318.295 2.176 0 40 DEAB Cc1ccc(NC2CCN(CCN3CCOCC3)CC2)cc1F 95990512 KMWLCPDFGVYYKV-UHFFFAOYSA-N 321.440 2.343 0 40 DEAB C[C@@H](NC[C@@H]1CCOC1)c1cc(F)ccc1N1CCN(C)CC1 95966294 IPCUIUVGQKRVHP-CABCVRRESA-N 321.440 2.265 0 40 DEAB COC[C@@H](O)CCNC(=O)N[C@@H]1c2ccccc2CCC1(C)C 95980446 IRHRDMMZFBOKIB-GOEBONIOSA-N 320.433 2.397 0 40 DEAB CCc1ncnc(N[C@@H]2CS(=O)(=O)c3ccccc32)c1F 95939875 RTKJFTDRNULHGR-LLVKDONJSA-N 307.350 2.119 0 40 DEAB CC(C)SCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 74458162 CKYTVZAODVXPKG-CYBMUJFWSA-N 319.492 2.086 0 40 DEAB CCOC(=O)c1sc2ncnc(NCCC(=O)OC)c2c1C 9952937 QIEFJUILJCGZOD-UHFFFAOYSA-N 323.374 2.151 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nc(C2CC2)no1 75133600 YGDJPZPMWNXDDD-KBPBESRZSA-N 318.421 2.312 0 40 DEAB O=C(NCc1csc(Br)c1)NCc1cc[nH]n1 89765100 RYQPEWBHMCDJSL-UHFFFAOYSA-N 315.196 2.233 0 40 DEAB CN(C[C@H](O)COc1cccc2[nH]ccc12)[C@@H]1CCSC1 89935568 JRMSGXNSHUCWAL-OLZOCXBDSA-N 306.431 2.345 0 40 DEAB CO[C@@H]1CCC[C@@H](OC(=O)c2cnn(C)c2-n2cccc2)C1 75582927 BLMLLUJFWSNBEH-CHWSQXEVSA-N 303.362 2.325 0 40 DEAB CCCCn1nnnc1CN1CCC[C@H]1c1noc(C2CC2)n1 76047475 CPKPYYLGOMNCQX-LBPRGKRZSA-N 317.397 2.071 0 40 DEAB N[C@H]1CC12CC(NC(=O)N1CCC(CC(F)(F)F)CC1)C2 1551583119 SGDZPRUDZTUNEK-AKJDGMEZSA-N 305.344 2.240 0 40 DEAB CCOCCCNC(=O)c1cn(CC)c2ccccc2c1=O 408713331 TVIQRVPHBNUECX-UHFFFAOYSA-N 302.374 2.178 0 40 DEAB CCn1nccc1CN(C)C(=O)c1cc(C)nc2onc(C)c12 36613657 ACDWGKJMEHDOJR-UHFFFAOYSA-N 313.361 2.328 0 40 DEAB COC(=O)C1CCN(C(=O)CSc2ccc(OC)cc2)CC1 38753738 IIUIEZGLPPUISX-UHFFFAOYSA-N 323.414 2.199 0 40 DEAB Cn1cc([C@@H]2CCCCN2C(=O)c2ccc3cncn3c2)cn1 556480031 ZDMLVZQLNHGKMX-INIZCTEOSA-N 309.373 2.435 0 40 DEAB COC[C@H]1CN(CCCc2ccccc2)CCN(C(C)=O)C1 72354484 PXBOEUCGURZMJC-SFHVURJKSA-N 304.434 2.046 0 40 DEAB COc1cccc(C(=O)N2CCC(C(=O)NC(C)(C)C)CC2)c1 32379396 WDWBYHNKLLGSKF-UHFFFAOYSA-N 318.417 2.462 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCCC[C@H]1NC(=O)CN 79409332 WLGVPGAFQHBHQX-OLZOCXBDSA-N 313.442 2.018 0 40 DEAB COC(=O)Cn1ncc2c3oc(C)cc3n(C(C)C)c2c1=O 72335359 MSWXMMQUKWATHY-UHFFFAOYSA-N 303.318 2.007 0 40 DEAB Cc1ccc2[nH]c([C@H]3CCCN(c4nccn(C)c4=O)C3)nc2c1 182566860 WIDRLLNIHJWXNQ-ZDUSSCGKSA-N 323.400 2.349 0 40 DEAB COc1ccc2nnc(C(=O)NCc3cccs3)nc2c1 46088261 WYFKMBLCRMSAJL-UHFFFAOYSA-N 300.343 2.025 0 40 DEAB COCCn1c2ccccc2n2c(=O)n(CC=C(C)C)nc12 72389539 VVSYRQDROQMGCR-UHFFFAOYSA-N 300.362 2.063 0 40 DEAB COc1cc(C)c(C)cc1S(=O)(=O)N1C[C@H](C)O[C@H](C)C1 41097042 PNACYMKISBXRNI-BETUJISGSA-N 313.419 2.110 0 40 DEAB CCc1cc(=O)n(Cc2cc(C(=O)OC)ccc2Cl)cn1 195557183 LBRYLUYXYBBEFK-UHFFFAOYSA-N 306.749 2.294 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 223017905 VAPBPPVLYFEMRV-LSDHHAIUSA-N 316.430 2.039 0 40 DEAB O=C1CNC(=O)N1CCSCc1ccc(F)c(Cl)c1 190017305 ZTCMTVRJBJOUBG-UHFFFAOYSA-N 302.758 2.264 0 40 DEAB Cc1cnc(CCNC(=O)N2CCC[C@H]2[C@@H]2CCCO2)s1 225458815 JVCKJXBLQKZSJG-STQMWFEESA-N 309.435 2.347 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1cccc(F)c1 69666971 FTIYZTMFHQFEDR-KSZLIROESA-N 320.408 2.334 0 40 DEAB Cc1cc(NCCS(=O)(=O)Cc2ccccc2)nc(C)n1 48261248 CGKSHWYXJYQPDX-UHFFFAOYSA-N 305.403 2.120 0 40 DEAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NC[C@H]1CCCO1 199421073 OOXUUUMSBIHBHB-HUUCEWRRSA-N 312.454 2.394 0 40 DEAB CC(C)N1CCOC[C@]2(CN(Cc3ccc(F)cc3)CCO2)C1 96049729 GRZLBLUZBKNOER-SFHVURJKSA-N 322.424 2.137 0 40 DEAB Cc1ccc(C)c(NC(=O)CS[C@@H]2NN[C@@H]3C=CC=CN23)c1 96305915 GJARQDXHDWSJGW-GOEBONIOSA-N 316.430 2.078 0 40 DEAB CCC(=O)N1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1 96241599 PXBCRQFTNSMCPT-UHFFFAOYSA-N 312.413 2.442 0 40 DEAB CCN1C[C@H]2[C@@H](C1)N(CCOCc1ccccc1)CC[C@H]2OC 96110975 RSWQVSRWSHZJGU-IPMKNSEASA-N 318.461 2.244 0 40 DEAB Cc1cnccc1NC(=O)NC1(C(=O)NCC2CC2)CCCC1 96501337 WNILGHFPNHPJSA-UHFFFAOYSA-N 316.405 2.351 0 40 DEAB Cc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)no1 96425064 MTSODGZGICCVAA-UONOGXRCSA-N 314.341 2.174 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccco3)C2)c1 96450076 RVDFBDIBDYUMEA-LBPRGKRZSA-N 316.357 2.306 0 40 DEAB O=C(N[C@@H](CO)Cc1ccccc1)[C@@H]1OCCc2ccccc21 96487694 ZLKGGTJJHPWQTL-SJLPKXTDSA-N 311.381 2.020 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)C(=O)c2c(C)nn(C)c2C)s1 96413922 NEUNPBKYCDYBDJ-SECBINFHSA-N 319.430 2.337 0 40 DEAB C[C@@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)NC1CC1 96447859 NNGYQJRASXSFHD-CYBMUJFWSA-N 315.417 2.278 0 40 DEAB CC(C)N1C[C@@H]2C[C@H](CC(=O)NCc3cccs3)O[C@@H]2C1 96208424 BOCOSXISEAOOSS-GZBFAFLISA-N 308.447 2.252 0 40 DEAB CCn1ncc2c1[C@H](COC)CN(C(=O)c1ccoc1C)C2 96060161 WRVQPFGMVAMZBH-ZDUSSCGKSA-N 303.362 2.190 0 40 DEAB Cc1nnc(NC(=O)c2ccc(=O)n(-c3ccccc3)c2)s1 96192015 DUYPSMFFPUUYRW-UHFFFAOYSA-N 312.354 2.250 0 40 DEAB Cc1ccc(N2CC[C@H](NC(=O)Nc3nccs3)C2=O)cc1 96433648 JEJZVLBVSORXNS-LBPRGKRZSA-N 316.386 2.379 0 40 DEAB Cc1nc2c(cc1C(=O)O)CCN(C(=O)c1ccsc1)CC2 96189561 ZZDQZHIMDRIBQV-UHFFFAOYSA-N 316.382 2.391 0 40 DEAB Cc1nc(N2CC[C@]3(CN(C)C(=O)O3)C2)c2sccc2n1 91997909 MCACXRPVZHYQAN-AWEZNQCLSA-N 304.375 2.031 0 40 DEAB CNc1cc(C)nc([C@@H]2CN(C(=O)c3ccccn3)CCO2)c1 257223658 DYIZOPLTPRRUIE-INIZCTEOSA-N 312.373 2.040 0 40 DEAB COC(=O)[C@H]1CCc2nnc([C@@H](C)Oc3ccccc3F)n2C1 601044838 RWWYOKLEXZFBSH-MNOVXSKESA-N 319.336 2.293 0 40 DEAB COc1ccc(C[C@@H]2COCCN(Cc3cncn3C)C2)cc1 257238485 HLEGPXJBXDWHNL-INIZCTEOSA-N 315.417 2.120 0 40 DEAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccccc1Cl 257207715 BIXMYVOVRWREOY-INIZCTEOSA-N 316.792 2.107 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@H]1c1ccncn1 257329009 XHZZZDHELAVLSD-AWEZNQCLSA-N 311.341 2.225 0 40 DEAB O=C(NCC[C@@H](O)c1ccc2c(c1)OCO2)[C@@H]1CC=CCC1 85560970 RFOKUEAAJFTKFP-TZMCWYRMSA-N 303.358 2.311 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)CCOc3ccccc3)CCO2)n1 257222524 DTPIPGFXRCHNJY-OAHLLOKOSA-N 315.373 2.087 0 40 DEAB O=C(NCCN=c1cc[nH]cc1)[C@@H]1CC[C@H]1c1ccc(F)cc1 530262708 XTUCPZGVHJMGRE-DLBZAZTESA-N 313.376 2.365 0 40 DEAB Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)c2c(C)noc2C)C1 585182117 HCNYWIMIPMVBHM-ZDUSSCGKSA-N 302.378 2.418 0 40 DEAB C[C@H](CC(=O)N[C@@H]1C(=O)NCC1(C)C)Cc1cccc(F)c1 585140964 NHHAFVWRCRKQOW-XHDPSFHLSA-N 306.381 2.035 0 40 DEAB Cc1nc(CN2C[C@H]3CN(C(=O)C4CC(F)C4)C[C@@H]3C2)cs1 585107622 ZLVHONYVWYDWAV-QPPOZKHWSA-N 323.437 2.090 0 40 DEAB CC(C)N1CCOC[C@@]2(CC(=O)N(Cc3ccccc3)C2)C1 585103502 CXNJMAXORRAGNF-SFHVURJKSA-N 302.418 2.146 0 40 DEAB CC[C@@H](O)CCCNC(=O)Nc1cccc(-c2nnco2)c1 72303911 RNSPDLREGVIELJ-CYBMUJFWSA-N 304.350 2.409 0 40 DEAB CN(C)Cc1c(C(=O)N[C@@H]2CCCOC2)oc2ccccc12 74585533 GBHTYTZIBDQRGX-GFCCVEGCSA-N 302.374 2.403 0 40 DEAB CCOC(=O)CN(CCOC)C(=O)CCCc1ccccc1 58365242 LQBRNGFLYZCLMQ-UHFFFAOYSA-N 307.390 2.047 0 40 DEAB COc1cccc([C@@H](CO)NCc2ccc([S@](C)=O)cc2)c1 85328974 UHECILDGPLPKEY-VGOFRKELSA-N 319.426 2.256 0 40 DEAB N[C@@H]1CCC[C@@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 85357802 NCLFDRWXJXSAIO-GXTWGEPZSA-N 307.825 2.116 0 40 DEAB OCCOCCNc1cnc2cc(Cl)c(Cl)cc2n1 97238141 DKPVSYWAFDCKLF-UHFFFAOYSA-N 302.161 2.357 0 40 DEAB O=C([C@@H]1OCCc2ccccc21)N(CCO)Cc1ccccc1 90164041 HZSKKRIKOGTWKG-GOSISDBHSA-N 311.381 2.322 0 40 DEAB Cc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1 1204226877 OYZLMHIBETYPSF-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB CCCN1C(=O)/C(=C/c2cc(OC)c(OC)cc2C)NC1=S 202794 DQIDLZYQKJCCTD-WQLSENKSSA-N 320.414 2.480 0 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Cc1cccc(NC(=O)CN2C(=O)CCOc3ccccc32)n1 21894366 HNBAFABLDZJYTC-UHFFFAOYSA-N 311.341 2.144 0 40 DEAB CCc1nnc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cn12 65199191 UWEBALGUIXKNBC-UHFFFAOYSA-N 320.349 2.232 0 40 DEAB CC(=O)NC[C@H]1C[C@@H](C)N(C(=O)c2cccc3ncccc23)C1 1010228886 HVPYXUBMNXHCAB-TZMCWYRMSA-N 311.385 2.222 0 40 DEAB O=C(c1ccco1)N1[C@H]2CC[C@@H]1CC(O)(c1cccnc1F)C2 72337328 BFOUXZPPWYHMMT-GTKHYJCHSA-N 316.332 2.469 0 40 DEAB Cc1cnc(C(C)(C)NC(=O)c2ccc3oc(O)nc3c2)[nH]1 568281285 FWGWVRWVVYONHV-UHFFFAOYSA-N 300.318 2.230 0 40 DEAB c1cc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)ccn1 72355437 BTYSSYTUIZLRBG-INIZCTEOSA-N 320.400 2.437 0 40 DEAB O=C(CSC/C=C/c1ccccc1)N[C@H]1CCCCNC1=O 78555571 QHMYEZSVRIAUKE-PPYMECGQSA-N 318.442 2.218 0 40 DEAB C[C@](O)(CNC(=O)COc1ccc(F)cc1)c1ccccc1 70639564 IZYIUBQCAJIHEL-KRWDZBQOSA-N 303.333 2.228 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccccc1F 224197421 RLJWRYCPEATHQN-UHFFFAOYSA-N 300.337 2.146 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)C2)cc1 575183936 OVFRDORJXCOSJG-XHSDSOJGSA-N 301.386 2.497 0 40 DEAB c1ccc(-c2nccc(N3CCC[C@H]3Cn3cncn3)n2)cc1 69601661 GSMREOYDTWOWFH-HNNXBMFYSA-N 306.373 2.404 0 40 DEAB CCc1ncsc1NC(=O)[C@H]1CC(c2cccnc2)=NO1 195579876 MZGPYHQWPWMEHN-GFCCVEGCSA-N 302.359 2.232 0 40 DEAB COc1ccc(CC(=O)Nc2cnc(N3CCCC3)nc2)cc1 224247076 SANCPKWFPGHHIC-UHFFFAOYSA-N 312.373 2.267 0 40 DEAB O=C(O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 225604188 DAGAISYKHRRWLQ-FXUDXRNXSA-N 309.321 2.433 0 40 DEAB CC[C@H](NC(=O)NCc1cc(F)cc(OC)c1)c1noc(C)n1 94039347 GVCDFWZLQLBDLN-ZDUSSCGKSA-N 322.340 2.476 0 40 DEAB O=C1C[C@]2(CCN(c3nncs3)C2)CN1c1ccc(F)cc1 96238731 SYLLABADUAIWAC-HNNXBMFYSA-N 318.377 2.311 0 40 DEAB O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)N1CCCCC1 96419229 YOGPARMBXPJFIP-UHFFFAOYSA-N 317.357 2.238 0 40 DEAB O=C(NC1CC1)[C@H](Cc1ccccc1)N[C@H]1CCCSC1 97371060 BKWQCMDLZOTEQZ-HOTGVXAUSA-N 304.459 2.362 0 40 DEAB Cc1ccc(NS(=O)(=O)c2c[nH]c3ncccc23)cc1O 96427083 VSEMGMQBRWMDPZ-UHFFFAOYSA-N 303.343 2.378 0 40 DEAB CCOC(=O)c1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1 98210981 BPYHAHUNNXMBSI-UHFFFAOYSA-N 322.361 2.327 0 40 DEAB O=C1NC2(CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccncc1 96061408 QCBANZZMCDXXRH-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB CN(Cc1cscn1)C(=O)c1cccc(OCC(F)F)n1 95444824 NGSUPFUMYAHDNY-UHFFFAOYSA-N 313.329 2.454 0 40 DEAB CC(C)CN1CCN(C)C(=O)C12CCN(Cc1ccco1)CC2 96230254 NICWHVGYXFLFGN-UHFFFAOYSA-N 319.449 2.044 0 40 DEAB C[C@](Br)([C@H](O)c1cccc(F)c1)S(C)(=O)=O 96521272 WTLIDXXSLBUDNV-NXEZZACHSA-N 311.172 2.015 0 40 DEAB CCn1cc(-c2cncc([C@H]3CCCN(CCOC)C3)n2)cn1 257246970 IWTZJJLFTHQKKJ-AWEZNQCLSA-N 315.421 2.186 0 40 DEAB CN1C(=O)CCC[C@@H]2[C@H]1CCCN2C(=O)Cc1ccc(F)cc1 257204718 AVZMETHURCXWFW-HZPDHXFCSA-N 318.392 2.370 0 40 DEAB Cc1cn(C)c([C@H]2CCCN2S(=O)(=O)c2cccs2)n1 257230073 GARIGGIYUHMIQD-LLVKDONJSA-N 311.432 2.316 0 40 DEAB Cc1cc(C)n(CC(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)N3)n1 257239477 HPKDGHYAJQGQGQ-CUSZFKRNSA-N 316.449 2.022 0 40 DEAB CSc1cccc(F)c1C(=O)NC[C@H]1CN(C2CC2)CCO1 252492347 MJOPCXVSCBHVOH-LBPRGKRZSA-N 324.421 2.141 0 40 DEAB O=C(COc1ccccc1Cl)N1CCOC[C@H]1c1ccn[nH]1 257202682 AMWFZUUELKHJNM-ZDUSSCGKSA-N 321.764 2.042 0 40 DEAB C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)O)c1ccc(OC(F)(F)F)cc1 263574781 NYOSVYHEBBQKLJ-SWPVVBRQSA-N 317.263 2.483 0 40 DEAB Cc1cc2cc(CNC(=O)c3cnn4c3OCCC4)ccc2[nH]1 90627134 PRKUNZLONJIUJU-UHFFFAOYSA-N 310.357 2.385 0 40 DEAB Cc1ccc(C)c(CC(=O)N[C@H](C)C(=O)NC2CCCC2)c1 69457590 JRZMGWLKBBZYMA-CQSZACIVSA-N 302.418 2.409 0 40 DEAB Cc1csc(CNC(=O)C2CCN(CC(F)(F)F)CC2)n1 47297340 CTUQNVGXRNNWIV-UHFFFAOYSA-N 321.368 2.342 0 40 DEAB NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 48088453 HTPZZPMWNBHOGF-QMMMGPOBSA-N 301.173 2.331 0 40 DEAB O[C@@H](CN1CCN(c2nccs2)CC1)c1cccc(F)c1 51287756 WAMURUFCHFJJOZ-AWEZNQCLSA-N 307.394 2.138 0 40 DEAB CCn1cc(S(=O)(=O)N(C)c2ccc3ccccc3n2)cn1 76020622 KBWARJKWRAEGTJ-UHFFFAOYSA-N 316.386 2.276 0 40 DEAB CN(Cc1cc(Br)cn1C)C(=O)Cc1cccnc1 89754995 PHAQIWBSRHVWRX-UHFFFAOYSA-N 322.206 2.384 0 40 DEAB O=C(c1ccco1)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 89834995 PTRGJZBODSWKNQ-DOTOQJQBSA-N 312.369 2.005 0 40 DEAB CC(C)[C@H]1COc2ccccc2CCCCN(C)CC(=O)N1 643583365 AOGMMKPSHYROSF-MRXNPFEDSA-N 304.434 2.474 0 40 DEAB Cc1cc(C(=O)N2CCC(Oc3ccsc3)CC2)n(C)n1 575619752 PIACIQQXPDTUJR-UHFFFAOYSA-N 305.403 2.474 0 40 DEAB C[C@@H](NC(=O)COc1nnc2ccccn12)c1ccc(F)cc1 15572213 LEYGNXFLYAWUKF-LLVKDONJSA-N 314.320 2.125 0 40 DEAB CN1CCCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 3306180 NJBTVKVEVLOOST-UHFFFAOYSA-N 323.245 2.320 0 40 DEAB CN1C[C@H]2CN(Cc3ccccc3Cl)CC[C@@H]2OCC1=O 2037983771 FHGIEAFRIZILJJ-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB Cc1ccc(N2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccccc2)nn1 1565552628 QIIXLUMTKTXDHQ-HOTGVXAUSA-N 308.385 2.165 0 40 DEAB Cc1nnc(SCC(=O)NC2CCCCC2)n1-n1cccc1 9737738 WJXCPJOZORDRDZ-UHFFFAOYSA-N 319.434 2.240 0 40 DEAB Cc1nc(N2CC(COc3cccnc3)C2)c2ccncc2n1 2298071693 WOKDTCVIJVBXLM-UHFFFAOYSA-N 307.357 2.243 0 40 DEAB CCCCN1C[C@@H](C(=O)N2CCc3ccccc3C2)CC1=O 8270223 JODMFOAJBCXXMB-INIZCTEOSA-N 300.402 2.220 0 40 DEAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCS(=O)(=O)C1 40498557 QHPRCSXMTBJKOK-UPJWGTAASA-N 301.452 2.142 0 40 DEAB C[C@@H]1CCc2sc(C(=O)NCc3nnc4n3CCC4)cc2C1 40480490 FBKSRXJBZXDXIT-SNVBAGLBSA-N 316.430 2.341 0 40 DEAB COc1cccc(CO[C@H](C)C(=O)Nc2cc(C)nn2C)c1 40525087 YSHSWNXLVMGOET-GFCCVEGCSA-N 303.362 2.281 0 40 DEAB Cc1cc(NC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)no1 32870393 RALUXTMRMRBFIJ-UHFFFAOYSA-N 310.354 2.068 0 40 DEAB CNC(=O)[C@@H]1CCCCN1C(=O)COc1c(C)cc(C)cc1C 33210750 RTLVEYRLOQLYBV-HNNXBMFYSA-N 318.417 2.118 0 40 DEAB COCCOc1cccc(C(=O)NCCN2CCCC[C@@H]2C)c1 53030827 AWPPXWYEVKPNMD-HNNXBMFYSA-N 320.433 2.316 0 40 DEAB COc1ccccc1C(=O)OCCn1cnc2ccccc2c1=O 22468121 APXPMJBQQPEHJA-UHFFFAOYSA-N 324.336 2.262 0 40 DEAB biogenic Cc1ccccc1-n1nc2c(c1NC(=O)C1CC1)C[S@](=O)C2 212324 OVHNWRVFTUEJNJ-JOCHJYFZSA-N 315.398 2.292 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)c3cnc4[nH]nc(C)c4c3)C2)c1 71185428 YZAVYXNLJKTMKV-AWEZNQCLSA-N 324.388 2.249 0 40 DEAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@@H]1CCCN1c1nccs1 78760312 VVJPDBKJVJVGHV-LBPRGKRZSA-N 313.386 2.049 0 40 DEAB O=C(Nc1ccc2scnc2c1)[C@@H]1CC(=O)N(CC2CC2)C1 78726046 SDIDKKMDEFQZIB-LLVKDONJSA-N 315.398 2.493 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)c3ncoc3C(C)C)c12 79015422 AFFVWTOTMGHQQX-UHFFFAOYSA-N 302.338 2.223 0 40 DEAB Cc1cnn(CCCNC(=O)c2ccnc(Br)c2)c1 79097069 XFDXWMXSQXYDII-UHFFFAOYSA-N 323.194 2.169 0 40 DEAB CC[C@@H](C)NC(=O)[C@H](CCSC)NC(=O)c1ccccc1 3451385 OKDQZPGPMQUWCA-OCCSQVGLSA-N 308.447 2.453 0 40 DEAB CC(C)OCCCNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125216 FRTLWVZUZRVYIY-UHFFFAOYSA-N 304.346 2.180 0 40 DEAB CN(C)c1c(F)cc(NC(=O)/C=C/c2cnn(C)c2)cc1F 54350489 KKYDUTQPTAPGHW-SNAWJCMRSA-N 306.316 2.416 0 40 DEAB O=C(CSCc1nc2ccccc2s1)N1CCOCC1 42629214 XMHWCHLZDLUUEE-UHFFFAOYSA-N 308.428 2.388 0 40 DEAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C 6471670 TZPHEDFUPCDXOW-UHFFFAOYSA-N 301.408 2.097 0 40 DEAB Cc1cccc(CS(=O)(=O)NCCC2CCN(C)CC2)c1 173088872 GXABBXJYXCNPQR-UHFFFAOYSA-N 310.463 2.146 0 40 DEAB O=C(Nc1ccc(I)cn1)C(F)(F)F 57316762 OUEPCSIMAAVCFK-UHFFFAOYSA-N 316.020 2.187 0 40 DEAB CCc1nc(NC(=O)CCNC(=O)c2ccoc2)sc1C 44702047 FNVULKWAOKTFNE-UHFFFAOYSA-N 307.375 2.366 0 40 DEAB C[C@H](NCc1ccc2c(c1)OCO2)C(=O)N1CCc2ccccc21 58161319 XRCICDCEAPASEN-ZDUSSCGKSA-N 324.380 2.483 0 40 DEAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@@H](C(=O)O)C1 62117841 GKHXDNFCTKEOTQ-WDEREUQCSA-N 311.765 2.349 0 40 DEAB O=C(O)[C@@H]1CCN(Cc2cc(Br)ccc2F)C1 62134377 WKIBBKWASAAEBR-MRVPVSSYSA-N 302.143 2.495 0 40 DEAB COc1ccccc1-c1cc(NC(=O)c2ccc(=O)[nH]c2)[nH]n1 58289261 IVSUQCSLUUINNP-UHFFFAOYSA-N 310.313 2.026 0 40 DEAB Cc1cccc(C)c1OC[C@H](O)CNc1ccc2nccnc2n1 58290233 BEDVBWAKWJBXDV-CQSZACIVSA-N 324.384 2.493 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)COc1ccc(F)cc1 58421766 RZFFZMYBPXYSGS-GFCCVEGCSA-N 320.412 2.491 0 40 DEAB COC(=O)C1=C(C)Nc2nc(SC)nn2[C@H]1c1ccc(C)o1 11027239 RTHUDQBQNBHGFJ-NSHDSACASA-N 320.374 2.363 0 40 DEAB c1ccc2oc(NC[C@@]3(N4CCOCC4)CCSC3)nc2c1 29626092 JIOZYUKLUIWPHN-INIZCTEOSA-N 319.430 2.448 0 40 DEAB CN(CC(=O)N1CCCC1)C(=O)CCOc1ccc(Cl)cc1 46742418 UPPXDTBOBNNPFO-UHFFFAOYSA-N 324.808 2.190 0 40 DEAB CCOC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O 5009932 HSDGMAKBVIMVJT-UHFFFAOYSA-N 315.354 2.083 0 40 DEAB CN1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CC1 66146218 YQZQOGXZLMKUKR-UHFFFAOYSA-N 319.405 2.261 0 40 DEAB CC(C)OC(=O)CCNC(=O)c1cnc(-c2ccccc2)nc1 66896168 ZEDXZFGRDQLGHS-UHFFFAOYSA-N 313.357 2.215 0 40 DEAB C[C@H]1CCc2c(sc3ncnc(Sc4nnnn4C)c23)C1 7785176 OZQLVEJWPYPALE-ZETCQYMHSA-N 318.431 2.491 0 40 DEAB COC(=O)[C@H]1CN(C(=O)c2cccs2)c2ccccc2O1 16806528 GZKPEBMQCIPZGK-GFCCVEGCSA-N 303.339 2.329 0 40 DEAB O=C(CCN1CCSC1=O)Nc1ccc2c(c1)OCCCO2 8231417 OYNZECGGHLXRBB-UHFFFAOYSA-N 322.386 2.345 0 40 DEAB O=C(c1cc2c(F)cccc2[nH]1)N1CCN(CC2CC2)CC1 71829925 AHJMGFMSDUOSAC-UHFFFAOYSA-N 301.365 2.475 0 40 DEAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CC(=O)N(C)C1 69348999 CBSVCZGGPGWZMH-NXEZZACHSA-N 312.822 2.168 0 40 DEAB Cc1cc2n(n1)C[C@H](CNC[C@@H](c1ccsc1)N(C)C)CN2 69348586 IFMMXAOBZOUPNE-HIFRSBDPSA-N 319.478 2.187 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)c1 71866856 BOVOCSSHTXTJNY-DOTOQJQBSA-N 311.385 2.186 0 40 DEAB CCCc1nccn1C[C@@H](O)COc1ccc(NC(C)=O)cc1 95438674 RFNHFBLVBQXMQM-OAHLLOKOSA-N 317.389 2.234 0 40 DEAB CC(C)(C)c1n[nH]cc1CNC[C@@H]1CCCN1c1cccnn1 71877230 QALBIVKBDWALDT-AWEZNQCLSA-N 314.437 2.256 0 40 DEAB O=C(NCc1ccccc1Cl)N(CCO)Cc1cccnc1 69570139 WXXVCCWVIVKRII-UHFFFAOYSA-N 319.792 2.439 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@H]1CC(N)=O 69566657 KDPYPGWVLWEPQI-AAEUAGOBSA-N 324.808 2.364 0 40 DEAB Cc1nn(C)c(=O)c(C(=O)N2C[C@H](C)Cc3ccccc32)c1C 71857437 PRUDNCFXRCPIFW-LLVKDONJSA-N 311.385 2.236 0 40 DEAB O=C(COCCc1ccccc1)N1CCC[C@H](n2ccnc2)C1 69662854 ZBKJIXYCECHLQE-KRWDZBQOSA-N 313.401 2.306 0 40 DEAB O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc[nH]n1 71896670 QSSFNMLLJOPZNS-NSHDSACASA-N 320.343 2.082 0 40 DEAB CC[C@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1ccc(C)cc1 73496822 PJEWLJDEHSKDBM-JKSUJKDBSA-N 316.405 2.212 0 40 DEAB CCNS(=O)(=O)[C@@H]1CCN(Cc2c(C)oc3ccccc23)C1 97051713 MCOICCQRGCOYKB-CYBMUJFWSA-N 322.430 2.255 0 40 DEAB CC(C)n1cc(CNCc2ccc(Cn3cncn3)cc2)cn1 97001867 MRVGUFBMTUMQTC-UHFFFAOYSA-N 310.405 2.394 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2cc3cc(C)ccc3o2)CC1 97032774 IJOWQYPQTKHRRI-KRWDZBQOSA-N 317.385 2.487 0 40 DEAB Cc1cnn(C2CCN(C(=O)NCCc3ccccn3)CC2)c1 84265036 HLYGVWJOYIPUOI-UHFFFAOYSA-N 313.405 2.176 0 40 DEAB NS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 97159676 DHDQCPCBJBBOED-NSHDSACASA-N 302.808 2.284 0 40 DEAB Cc1ccc(Cc2n[nH]c(CC(=O)n3nc(C)cc3C)n2)cc1 72332555 DQKOMWYHHWZEKV-UHFFFAOYSA-N 309.373 2.400 0 40 DEAB COc1ncccc1NC(=O)N[C@H]1CCC[C@@H]1n1ccnc1 72305811 NQMCDDPIHPMDGD-AAEUAGOBSA-N 301.350 2.202 0 40 DEAB Cc1nnc2n1C[C@@H](NC(=O)C(C)(C)c1cccc(F)c1)CC2 95960429 DVYZXNWMVNULMU-AWEZNQCLSA-N 316.380 2.134 0 40 DEAB CN(Cc1ccn(C)n1)c1cnn(C(C)(C)C)c(=O)c1Cl 1548520145 IIJRVAZDZALYGO-UHFFFAOYSA-N 309.801 2.022 0 40 DEAB CCS(=O)(=O)N1c2ccc(C(=O)N3CCCC3)cc2C[C@@H]1C 20449166 NTAIYDRJHRSZQE-LBPRGKRZSA-N 322.430 2.023 0 40 DEAB Cn1c(O)nc2cc(C(=O)N3CC[C@@H](c4ccncc4)C3)ccc21 520251401 BTLIFEUNUDBPPG-CQSZACIVSA-N 322.368 2.304 0 40 DEAB Fc1cnc(N2Cc3ccnn3[C@H](CCOCC3CC3)C2)nc1 306126850 FHEHATYAJNWFNU-OAHLLOKOSA-N 317.368 2.190 0 40 DEAB CCOC(=O)N[C@@H](CC(=O)NCCCOC)c1ccccc1 408998302 LGGIKUJYEMKBIZ-AWEZNQCLSA-N 308.378 2.017 0 40 DEAB O=C1N(c2ccc(F)cc2)Cc2nc(=O)n(Cc3ccccc3)n21 32069671 VYWKWJBLEJVJBA-UHFFFAOYSA-N 324.315 2.221 0 40 DEAB O=C(O)c1ncc(-c2cccc(Br)c2)nc1C(=O)O 35572196 KLBAHSNTSXLUIH-UHFFFAOYSA-N 323.102 2.303 0 40 DEAB CCn1nc(-c2nn3c(-c4ccncc4)nnc3s2)cc1C 36354027 RPUVMBUNIUMGOG-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB CNC(=O)c1cccc(C(=O)OCCc2scnc2C)c1 76851116 BKGQXDCHOQLKKN-UHFFFAOYSA-N 304.371 2.211 0 40 DEAB COc1ccc2nc(N3CCC[C@H]3C(=O)NC3CC3)ccc2c1 134898033 GVPQSZPGPYUQRY-INIZCTEOSA-N 311.385 2.491 0 40 DEAB COc1ccc(S(=O)(=O)N(C)CC[C@@H]2CCCCO2)cc1 62193339 KTFVWVFNQABMAV-AWEZNQCLSA-N 313.419 2.275 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(Cl)c(N(C)S(C)(=O)=O)c1 225972491 UVAGQQBBCOJMEC-SECBINFHSA-N 318.826 2.264 0 40 DEAB Cc1ccc(CCNC(=O)COc2ccc3c(c2)OCO3)o1 223240133 AMEXNNIYFRIGDF-UHFFFAOYSA-N 303.314 2.054 0 40 DEAB CC(=O)N1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 49170872 BBJQWKUFOCGQPM-ZDUSSCGKSA-N 300.362 2.138 0 40 DEAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC[C@H](N[C@@H]2C=C[C@H](CO)C2)CC1 195558620 SQDGKJAGHQPGLN-SOUVJXGZSA-N 310.438 2.303 0 40 DEAB O=C1CCCN1CC(=O)N(Cc1ccsc1)c1cccnc1 193500748 DXTWFAHHCNIQRW-UHFFFAOYSA-N 315.398 2.299 0 40 DEAB COC[C@H](C)NC(=S)Nc1ccc(Br)cn1 225194963 YVGNMZKAYSNZMQ-ZETCQYMHSA-N 304.213 2.165 0 40 DEAB CN(C)c1nccc(CN[C@H]2CCOc3ccc(F)cc32)n1 195550719 RMWBKCZNYASVRO-AWEZNQCLSA-N 302.353 2.295 0 40 DEAB Cc1cc(NC(=O)NCc2ncnn2C)ccc1N1CCCC1 96433908 FDEHRMKFEIIPMW-UHFFFAOYSA-N 314.393 2.045 0 40 DEAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2nnc(C)s2)C1 330644048 FZFVWJSWYZWVOY-WCQYABFASA-N 310.467 2.363 0 40 DEAB C[C@H](CO)NC(=O)[C@H](C)Cc1ccc(Br)cc1 97230333 UFKHBLXKALOOLQ-NXEZZACHSA-N 300.196 2.125 0 40 DEAB O=S(=O)(NCCCc1ccc(O)cc1)N1CCCCCC1 95433156 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40 DEAB O=C(c1ccncc1)N1CC[C@@H](O)[C@H](Cc2cccc(F)c2)C1 585275117 XFUNNRNNYCVNSM-NVXWUHKLSA-N 314.360 2.286 0 40 DEAB CC1(C)CCN(C(=O)N[C@@H]2CC[S@](=O)C2)CC(C)(C)C1 685938907 AGUKYKSAQLYCFQ-ODXCJYRJSA-N 300.468 2.365 0 40 DEAB Cc1ccc2cccc(C(=O)N3CC[C@H]([C@H](F)C(=O)O)C3)c2n1 1548600679 QWQMKVWENIMJSN-JSGCOSHPSA-N 316.332 2.428 0 40 DEAB COCCCNC(=O)Nc1ccc(C(=O)NCC(C)C)cc1 47729460 NJKKMWMLQPOGJP-UHFFFAOYSA-N 307.394 2.230 0 40 DEAB CCC[C@@]1(C)NC(=O)N(C[C@H](O)c2ccccc2Cl)C1=O 51373833 PBYZTHLQKBEKBZ-SWLSCSKDSA-N 310.781 2.484 0 40 DEAB Cc1cccc(S(=O)(=O)NC2(c3noc(C)n3)CCCC2)c1 56054951 RTUAXAKSBUKKIN-UHFFFAOYSA-N 321.402 2.434 0 40 DEAB CC(C)CCNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 5636974 FDXKEMRZPKFRAA-UHFFFAOYSA-N 324.446 2.247 0 40 DEAB O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCC1 12521351 ZEMLBGJJCQGKFX-UHFFFAOYSA-N 316.382 2.333 0 40 DEAB Cc1cnc(N2CCC(COc3ccc4nccn4n3)CC2)nc1 1888869493 GRLRDTJOYLWUOL-UHFFFAOYSA-N 324.388 2.123 0 40 DEAB O=C(NCCc1ccccc1F)[C@H]1CC(=O)N(C2CCCC2)C1 23643410 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DEAB C[C@H](CNC(=O)c1ccnc(SC(C)(C)C)c1)[S@](C)=O 97233814 JGPUMJYHRCYLMQ-CFMSYZGJSA-N 314.476 2.469 0 40 DEAB O=S(=O)(NC[C@@H]1COC2(CCCCC2)O1)c1ccccc1 4941248 WEFAOSVMQWWYJX-CYBMUJFWSA-N 311.403 2.041 0 40 DEAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 15602046 AKIMGIUTQFCVEQ-UHFFFAOYSA-N 310.309 2.472 0 40 DEAB Cc1cccc(=O)n1CCCCN[C@H]1CCN2CCC[C@@H]2C1 96484336 MJHQVDUIAVCTIA-DLBZAZTESA-N 303.450 2.153 0 40 DEAB CCOC(=O)CCc1ccc(NC(=O)CN(C)C2CC2)cc1 96417855 LAWRSNDWDXZTAD-UHFFFAOYSA-N 304.390 2.215 0 40 DEAB COc1cccc(F)c1[C@@H](C)NC(=O)N1CCC(CO)CC1 80471217 ABZYYAQDTPGDON-LLVKDONJSA-N 310.369 2.309 0 40 DEAB COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 7598675 JCVLWDTZVKPVMZ-UHFFFAOYSA-N 313.309 2.497 0 40 DEAB O=C(NC[C@H](O)c1ccccc1)c1nc(-c2ccccc2)no1 9576010 XGQIXLQQGRTNQC-AWEZNQCLSA-N 309.325 2.200 0 40 DEAB CCSc1ccc(C(=O)N2CCN(CC3CC3)CC2)cn1 68756498 RBZKCWZFROILEL-UHFFFAOYSA-N 305.447 2.361 0 40 DEAB O[C@@H](COc1ccc2ccccc2c1)CN1CC(n2cccn2)C1 71877119 CHMCZHJNAHVTFR-GOSISDBHSA-N 323.396 2.333 0 40 DEAB Cc1nn(CCO)c(C)c1CN[C@H]1CCc2c(F)cccc21 71837168 FEBHPWBYMZUZPY-KRWDZBQOSA-N 303.381 2.408 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOCC(F)(F)F 71880525 PYONVGDAGYNYTG-STQMWFEESA-N 308.344 2.041 0 40 DEAB C[C@@]1(c2ccccc2)NC(=O)N(CC2(O)CCCCC2)C1=O 71824989 HRVDRRPGHOZFHM-INIZCTEOSA-N 302.374 2.149 0 40 DEAB Cc1cc(C)n(C[C@H]2CN([C@@H](C)c3cccnc3)CCO2)n1 69377669 LGPTZOVMOJHXOE-DOTOQJQBSA-N 300.406 2.357 0 40 DEAB O=C(NC[C@H](O)COc1ccc(F)c(F)c1)[C@H]1CC=CCC1 71856923 CGZCJVBYWRQEFV-RYUDHWBXSA-N 311.328 2.177 0 40 DEAB c1ccc(Cn2ccnc2CN2CCC[C@@H]2Cn2cncn2)cc1 69699846 NNIMEHSMYQESTG-QGZVFWFLSA-N 322.416 2.188 0 40 DEAB CCc1nc(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)cs1 83830331 FAUATVHWJQUYLQ-ABAIWWIYSA-N 306.435 2.306 0 40 DEAB Cc1cccn2cc(CN3CCCC[C@@H]3Cn3cncn3)nc12 69709351 MHDVKAPZCXJPTL-MRXNPFEDSA-N 310.405 2.289 0 40 DEAB CCOCCN1CCN(c2ncnc3ccsc23)C[C@@H]1C 69706706 APNAFQBAXOIPSL-LBPRGKRZSA-N 306.435 2.238 0 40 DEAB CN1CCCN(S(=O)(=O)c2cccnc2)c2ccc(F)cc21 71921603 IKEJRQIJMQXLHT-UHFFFAOYSA-N 321.377 2.256 0 40 DEAB CC(=O)Nc1nc(CN2CCC[C@@H]2Cn2cc(C)cn2)cs1 69950704 IHFZAOSUPIOTBD-CQSZACIVSA-N 319.434 2.271 0 40 DEAB NC(=O)N1CCCN(C(=O)/C=C/c2cc3ccccc3o2)CC1 69968746 ZIHONBPXAGFEIL-VOTSOKGWSA-N 313.357 2.059 0 40 DEAB O=C1NCc2ccc(NCc3ncn(-c4ccccc4)n3)cc21 92215577 GMZFEQYAEQPYMG-UHFFFAOYSA-N 305.341 2.123 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Cc1coc2cc(OC)ccc12)C(N)=O 70698510 UCTICIVQQFELBF-QFYYESIMSA-N 318.373 2.000 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)CCC(C)C)CC2)c(O)c1 95365074 XSYABOTYBWRUQE-UHFFFAOYSA-N 318.417 2.421 0 40 DEAB CC(C)(CN[C@@H]1CCC[C@H]1S(C)(=O)=O)CC1CCOCC1 97033390 MVFUTTXTDKQTHE-HUUCEWRRSA-N 317.495 2.385 0 40 DEAB C[C@@](COc1ccccc1)(NC(=O)c1ccc(F)cc1)C(=O)O 95424643 UVCRAOALDQNVGE-KRWDZBQOSA-N 317.316 2.478 0 40 DEAB CCc1cc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)n(C)n1 95416954 UYVNHLRUHBSNFM-AWEZNQCLSA-N 315.377 2.063 0 40 DEAB CCC(=O)Nc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 73987495 FWBWPENDWYMVEG-CVEARBPZSA-N 315.417 2.344 0 40 DEAB C[C@H](CC1CCOCC1)Nc1ccc(N2CCN(C)CC2)nc1 95991530 DNWBSLOPIOZLLO-OAHLLOKOSA-N 318.465 2.451 0 40 DEAB COCCn1c(SCC(F)F)nnc1-c1ccncc1 95951098 FIWGZQYXCXYVFB-UHFFFAOYSA-N 300.334 2.344 0 40 DEAB Cn1cc(C[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cn1 95962860 MPLNCCXTEAGLJR-ZDUSSCGKSA-N 317.776 2.191 0 40 DEAB O=C([C@@H]1COCCO1)N1CCCCC[C@@H]1Cc1cccs1 89799991 WEHOCAUBONSVTH-HIFRSBDPSA-N 309.431 2.477 0 40 DEAB O=C1CN(Cc2nnc(-c3cccs3)o2)[C@H]2CCCC[C@@H]2N1 89800090 LZBFFWZWFQZONA-QWRGUYRKSA-N 318.402 2.041 0 40 DEAB O=C(NCc1nncn1C1CC1)c1ccccc1OCC1CC1 89811890 FSECFKCONGEVLS-UHFFFAOYSA-N 312.373 2.332 0 40 DEAB Cc1nc([C@@H]2CCCN2Cc2nccn2CC(F)(F)F)no1 75582693 IVCQIZZWOLDELJ-JTQLQIEISA-N 315.299 2.474 0 40 DEAB CCN(CC)CCCNCC(=O)Nc1ccc2c(c1)CCC2 25393030 TVHHNFFWBDXLLH-UHFFFAOYSA-N 303.450 2.435 0 40 DEAB O=C(c1cc(S(=O)(=O)Nc2ccccc2)c[nH]1)N1CCCC1 26527191 PNJDCCIBRJBVRW-UHFFFAOYSA-N 319.386 2.052 0 40 DEAB COc1ccc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 120641587 AFPPGAIGGKEGTR-LBPRGKRZSA-N 320.414 2.345 0 40 DEAB Cc1ccc(-n2nnc(CO)c2-c2ccc3c(c2)OCO3)cc1 62248033 ORYQGGUVZXTMNA-UHFFFAOYSA-N 309.325 2.464 0 40 DEAB Cc1cc2c(cnc3ncnn32)c(=O)n1-c1ccccc1Cl 38783917 LFFRGSSVUCQPCI-UHFFFAOYSA-N 311.732 2.390 0 40 DEAB Cc1ccc2oc(N3CCC[C@H](N4CCNC4=O)C3)nc2c1 523704475 XRTWWDLPBXUIOO-LBPRGKRZSA-N 300.362 2.130 0 40 DEAB CC(=O)N1CCN(c2ccc(C(=O)c3ccccc3)c(C)n2)CC1 72224775 WNEJSLYXTQHSMI-UHFFFAOYSA-N 323.396 2.290 0 40 DEAB CCc1cccc(CN[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)c1 567278613 BPTPOYRUIXEOOC-AEFFLSMTSA-N 312.417 2.092 0 40 DEAB C[C@@H](COc1ccc(F)cc1)NC(=O)N1CC[C@@H](CN(C)C)C1 129678320 NTINXDJBAPXIJE-KBPBESRZSA-N 323.412 2.186 0 40 DEAB Cn1c(N2CCSCC2)nc2sc3c(c2c1=O)CCCC3 41393845 HITMZZYFHBSVOZ-UHFFFAOYSA-N 321.471 2.427 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)C[C@H]2C=CCC2)CC1 69655916 NLWNVGOTBUGSKF-INIZCTEOSA-N 316.449 2.294 0 40 DEAB CCOC(=O)CCC(=O)c1ccc(CN2CCOCC2)cc1 43210875 IADRPDFWARPUQU-UHFFFAOYSA-N 305.374 2.045 0 40 DEAB Cn1nc(CNC(=O)Nc2cccs2)c2ccccc2c1=O 75148955 KORGSQPACPPTCL-UHFFFAOYSA-N 314.370 2.317 0 40 DEAB C[C@]1(C(=O)NCc2cccc(F)c2)Oc2ccccc2NC1=O 40776394 CTWXUCZZHXAQPF-QGZVFWFLSA-N 314.316 2.232 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H]2c2ccc(O)nn2)cc1F 530074003 XCXOSNLCSFTIQX-ZDUSSCGKSA-N 317.320 2.307 0 40 DEAB COc1ccc(-c2nc(NC(C)=O)sc2CC(=O)O)cc1 41535906 XNYQPXQLTKZVLQ-UHFFFAOYSA-N 306.343 2.404 0 40 DEAB COC(=O)COc1ccccc1[C@H]1CC(O)=Nc2c1cnn2C 49544512 CPDIWDQOAYJMLV-LLVKDONJSA-N 315.329 2.096 0 40 DEAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NC[C@@H]1CCCO1 199421043 OOXUUUMSBIHBHB-CABCVRRESA-N 312.454 2.394 0 40 DEAB O=C(Nc1cnc(N2CCOCC2)nc1)Nc1cccc(F)c1 224264653 VEMZTPSRLCHBLA-UHFFFAOYSA-N 317.324 2.096 0 40 DEAB COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c(OC)c1 95748980 RLFDKQZQLPTHDQ-GFCCVEGCSA-N 311.334 2.354 0 40 DEAB COCc1ccccc1C(=O)NC[C@@H](O)c1ccccc1F 96445856 BPZPZPPGMGLVNH-MRXNPFEDSA-N 303.333 2.436 0 40 DEAB CC(C)(C)C(=O)N[C@@H]1CCCN(CC(=O)N2CCCCCC2)C1 332374433 WJVMQXSMBZMYPH-OAHLLOKOSA-N 323.481 2.016 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC(O[C@H]3CCOC3)CC2)o1 96450882 PGVPDTSQYQOEDH-APHBUQMISA-N 305.374 2.398 0 40 DEAB CC(C)c1n[nH]c(NC(=O)CCc2nc(-c3ccoc3)no2)n1 96416983 DXRHYSBBIFXOBJ-UHFFFAOYSA-N 316.321 2.142 0 40 DEAB CN(C)C[C@H]1CC[C@]2(COCCN(Cc3ccsc3)C2)O1 96052280 NOVMIMVTLUHJPV-CVEARBPZSA-N 310.463 2.060 0 40 DEAB Cc1nnc2ccc(N3CCC[C@@H]3COc3ccccc3)nn12 92654211 UKAJZTPQDVYUBG-CQSZACIVSA-N 309.373 2.481 0 40 DEAB Cc1nnc(N2CC3(C[C@@H](Oc4cccnc4)CCO3)C2)s1 248050049 WTSVMYKLIVBEOU-LBPRGKRZSA-N 318.402 2.058 0 40 DEAB O=C(NCCCc1cnc2ncnn2c1)c1ccccc1Cl 253393987 ALFXUQQHQZOQRY-UHFFFAOYSA-N 315.764 2.140 0 40 DEAB CCN(C)C(=O)[C@@H]1CC(=O)N(CCOC)[C@H]1c1ccccc1C 257332396 XXDFTXRSOOOWCK-WBVHZDCISA-N 318.417 2.009 0 40 DEAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2[nH]cnc2C)nc1 257282948 OWAKBJQIRZLRTF-KRWDZBQOSA-N 313.405 2.086 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 257217616 CZTHQQHESVUNGS-NSHDSACASA-N 301.394 2.368 0 40 DEAB CCOCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50080678 LALSIODNJIEQHP-ZIAGYGMSSA-N 321.421 2.458 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NCc1ccc2c(c1)OCO2 42302055 RZJFVIOSEFVTBS-UHFFFAOYSA-N 317.345 2.362 0 40 DEAB Brc1cncc(N2CCC[C@@H](C3OCCO3)C2)c1 95403170 PUHWGNWREYPSOV-SNVBAGLBSA-N 313.195 2.433 0 40 DEAB c1cc(-c2cnc(NC[C@H]3COCCO3)nc2C2CC2)ccn1 12143960 ZCRYIMNCJZVAJS-AWEZNQCLSA-N 312.373 2.243 0 40 DEAB O=C(c1ccco1)N1CCC[C@H]1c1nc(-c2ccncc2)n[nH]1 13266367 GJMZWVMZAFSHKV-LBPRGKRZSA-N 309.329 2.437 0 40 DEAB O=C(NC[C@H]1CCCO1)Nc1c[nH]c2cc(Cl)ccc2c1=O 13565959 PDPMIQMTOKZQDU-SNVBAGLBSA-N 321.764 2.482 0 40 DEAB Cn1ccc2c(N3CCN(CCc4ccccc4)CC3)ncnc21 1889175211 ZDDLCUYRZNOWEW-UHFFFAOYSA-N 321.428 2.333 0 40 DEAB COc1ccc(N[C@H](C)C(=O)Nc2cc(C)no2)c(OC)c1 22814030 MTMBZHLNGGMQTH-SNVBAGLBSA-N 305.334 2.439 0 40 DEAB CC1(C)C[C@H]1C(=O)N1C[C@H]2CCN(c3ncccn3)CC[C@H]2C1 2056223803 BXSMWHLMUDHXLC-ZNMIVQPWSA-N 314.433 2.198 0 40 DEAB C[C@]1(C(=O)N2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)CC=CCC1 1565545953 SJBRCHTXJYEHSQ-LNLFQRSKSA-N 318.461 2.445 0 40 DEAB CCC(CC)CN1CCC[C@@](C(=O)N(C)C)(n2cccn2)C1 2055772479 MTGRYJYLHVSBLD-QGZVFWFLSA-N 306.454 2.199 0 40 DEAB COc1nn(C)cc1C(=O)NCc1ccc(-c2ccoc2)o1 575610446 MYSBUJMFLJLOFA-UHFFFAOYSA-N 301.302 2.212 0 40 DEAB CC(C)c1noc(CN2CCC[C@@H](NC(=O)C(C)(C)C)C2)n1 358363186 GGWCEYWXLNGMDY-GFCCVEGCSA-N 308.426 2.320 0 40 DEAB Nc1c(-c2nc(-c3ccncc3)no2)nnn1-c1cccc(F)c1 4316738 LTUBNEXFLUNMRT-UHFFFAOYSA-N 323.291 2.101 0 40 DEAB COCCn1c(C)cc(C(=O)CSc2nccn2C)c1C 20405215 YRYICSVNMKYJCK-UHFFFAOYSA-N 307.419 2.460 0 40 DEAB Cc1cc(C)cc(CN2C(=O)C[C@H](Cc3cnn(C)c3)C2=O)c1 101404001 GRZXBHIAUNMQQT-INIZCTEOSA-N 311.385 2.155 0 40 DEAB CS[C@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1N 21300202 FPRGALQPEHLMNK-HNNXBMFYSA-N 300.383 2.389 0 40 DEAB in-vitro COc1ccc(CCN(C)C(=O)c2cccn2C)cc1OC 32720251 BKZNAWQVJDHFME-UHFFFAOYSA-N 302.374 2.357 0 40 DEAB CCN1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1 32837476 QBEICLNMCZOOHT-UHFFFAOYSA-N 324.428 2.269 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102837895 VNWXHMFOBBEDBR-NZPIUUIZSA-N 311.451 2.140 0 40 DEAB Cc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)NC2CC2)cc1 8929864 ZBLBQPXRQFFSSC-LBPRGKRZSA-N 303.358 2.168 0 40 DEAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@@H]1c1ccncc1 53794945 HMGDIBJCJCURLW-OAHLLOKOSA-N 320.356 2.035 0 40 DEAB C[C@H]1CN(C(=O)c2cccnc2N2CCCCC2)C[C@@H](C)O1 42181964 SZLRDQMJZJPQAM-OKILXGFUSA-N 303.406 2.321 0 40 DEAB Cn1cc(CCCN2CCC[C@@H](c3noc(C4CC4)n3)C2)cn1 78890817 SRUXDXKEIVOBHU-OAHLLOKOSA-N 315.421 2.493 0 40 DEAB CONC(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 53836306 FVWQWPXFTKNYIE-UHFFFAOYSA-N 311.403 2.068 0 40 DEAB O=c1c2sccc2ncn1C[C@@H](O)COc1ccc(F)cc1 22966415 YMGHMWSCXFRCLT-LLVKDONJSA-N 320.345 2.037 0 40 DEAB O=C(CSc1nc(-c2cccs2)n[nH]1)NCC(F)(F)F 2636903 VGYDKTGRMNLTPP-UHFFFAOYSA-N 322.337 2.304 0 40 DEAB CCN(CC)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 7769100 ULKUVGPYEHNHHI-SMDDNHRTSA-N 310.419 2.312 0 40 DEAB CCCn1ccnc1SCC(=O)Nc1sccc1C(N)=O 12582034 CYTRIXOIRNJHBB-UHFFFAOYSA-N 324.431 2.184 0 40 DEAB COc1ccc(CC(=O)OCC(=O)N2CCC[C@@H](C)C2)cc1 8036737 OVVZUFXTZZZGRF-CYBMUJFWSA-N 305.374 2.039 0 40 DEAB O=C(COC(=O)COc1ccccc1F)NCc1cccs1 3247275 KIHIMSNZGCIACM-UHFFFAOYSA-N 323.345 2.126 0 40 DEAB CN1CCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1 24365290 DYZSVAZHPHBXGA-UHFFFAOYSA-N 310.829 2.099 0 40 DEAB O=C(O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3296679 LEPVNFQTWXVSFW-UHFFFAOYSA-N 310.400 2.181 0 40 DEAB C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)O)c1ccccc1Cl 35303094 ODFFOKWWENGGHO-GXFFZTMASA-N 310.781 2.066 0 40 DEAB O=C(/C=C/c1ccccc1)N[C@H]1CCCN(c2cccnn2)C1 84515174 YRJGKRVMDUQUDB-OFAQMXQXSA-N 308.385 2.275 0 40 DEAB CC(C)c1ccc(O)c(C(=O)N(C)CC(=O)N2CCCC2)c1 58279043 IXRYIJUZMURTCI-UHFFFAOYSA-N 304.390 2.210 0 40 DEAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc2c(c1)OCCCO2 48238018 FFENOFINLPQBNB-LLVKDONJSA-N 314.341 2.027 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccnc(-n2ccnc2)c1 58357794 DIQYFYHPLXSIPW-NSHDSACASA-N 324.388 2.109 0 40 DEAB Cc1ccc(-c2nc(CCNC(=O)c3ccc[nH]c3=O)co2)cc1 58432358 ZEJRQNBSWNOHLK-UHFFFAOYSA-N 323.352 2.311 0 40 DEAB CN1C(=O)C(C)(C)c2cc(NC(=O)CCCC(=O)O)ccc21 57280473 DLVGNGSLPUKTNX-UHFFFAOYSA-N 304.346 2.134 0 40 DEAB CCCc1c(C(=O)/N=c2/sccn2C)[nH]c(C)c1C(=O)OC 59369933 CVJXGJJGNVIHPI-BMRADRMJSA-N 321.402 2.203 0 40 DEAB CC(C)Cn1nnnc1SCC(=O)N[C@H]1CCCC[C@H]1C 29593946 AGYGWQKHYPWSNR-NEPJUHHUSA-N 311.455 2.116 0 40 DEAB CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1 57355467 BBNDXOHKXOPFEZ-DOTOQJQBSA-N 318.417 2.139 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2ccc(O)cc2)cc1N(C)C 95432889 VVQXQFQXHCVUDN-UHFFFAOYSA-N 320.414 2.245 0 40 DEAB Cc1ccc(SCCNC(=O)CCn2cncn2)cc1C 48353875 YODRYZZQYPTMHX-UHFFFAOYSA-N 304.419 2.194 0 40 DEAB C[C@H](OCC1CC1)C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 95424129 MQMSWWQDJRVAKG-IINYFYTJSA-N 309.337 2.273 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 20110264 GYPRBLMCYYFSGH-LBPRGKRZSA-N 310.419 2.280 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@H]1O)c1ccccc1-n1cccn1 95447885 LKPFBJIKSZBRDO-QZTJIDSGSA-N 319.364 2.260 0 40 DEAB O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCCC1 3493431 SPPDQPNRNRKMME-UHFFFAOYSA-N 323.809 2.030 0 40 DEAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1cccc(F)c1 3436671 HCUSLZQHQRZBBE-UHFFFAOYSA-N 317.272 2.350 0 40 DEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cccnc1S 24662800 OYACSCRCNXTAPF-LLVKDONJSA-N 316.382 2.282 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)C(=O)O 65415688 HUTJFPBVMJHQIE-UHFFFAOYSA-N 302.330 2.172 0 40 DEAB COc1ccccc1[C@@H](O)CNCc1c(C)nn(C)c1Cl 65464433 ZYUZZFAJYGVKAC-ZDUSSCGKSA-N 309.797 2.214 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@@H]2C[C@H]2c2ccccc2)c(=O)[nH]1 65553388 VRWOTNPSNFLEFC-GOEBONIOSA-N 311.385 2.347 0 40 DEAB Cc1cc(=O)[nH]c2nnc(-c3ccc(Br)cc3)n12 6556549 ACEXFRCTIMNTHQ-UHFFFAOYSA-N 305.135 2.156 0 40 DEAB O=C(Nc1ccccc1)N(O)C[C@H](O)COc1ccccc1 4677603 HTKVYBZQCRNWIT-AWEZNQCLSA-N 302.330 2.350 0 40 DEAB CNC(=O)[C@H](NC(=O)c1ccccc1)c1ccc(F)c(F)c1 71417475 ZQOLGNOWVNCJDI-CQSZACIVSA-N 304.296 2.182 0 40 DEAB O=C1CSC2=NCN(c3ccc(C(F)(F)F)cc3)CN12 6662874 FIDQVSIQONRECL-UHFFFAOYSA-N 301.293 2.372 0 40 DEAB CC(C)c1cc(C(=O)O[C@@H](C)C(N)=O)c2cnn(C(C)C)c2n1 14600686 ZYFYXLAANOZQCD-JTQLQIEISA-N 318.377 2.166 0 40 DEAB Cc1nc2n(n1)[C@H](C(=O)Nc1cc(Cl)ccc1C)CC(=O)N2 4731496 ADEJUMFIEFUJDC-NSHDSACASA-N 319.752 2.070 0 40 DEAB O[C@@H](CNC[C@@H]1OCCc2ccccc21)COc1ccccc1 4769863 DOMDGVSFKLBTOO-LPHOPBHVSA-N 313.397 2.330 0 40 DEAB O=C(Cc1ccc(F)cc1)OCN1C(=O)c2ccccc2C1=O 5633718 MKGNVURPJZQTTC-UHFFFAOYSA-N 313.284 2.165 0 40 DEAB COC(=O)c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1 5879556 UWXSVNJIFHASGZ-UHFFFAOYSA-N 300.266 2.421 0 40 DEAB COc1c(C)cnc(CN2CCN(C(=O)C(C)(C)C)CC2)c1C 67226701 ORGVANAMUWOBHF-UHFFFAOYSA-N 319.449 2.397 0 40 DEAB COc1ccc(CCC(=O)OCC(=O)N[C@@H](C)C(C)C)cc1 7201373 LECYQIXJGYTUFP-ZDUSSCGKSA-N 307.390 2.332 0 40 DEAB COc1ccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cc1OC 7616132 YRNZWOUDAACXRP-KDOFPFPSSA-N 319.401 2.471 0 40 DEAB biogenic CO[C@@H](CNC(=O)NC1CCN(C2CCCC2)CC1)C(C)C 96452382 ATNQRTYIOXYUTJ-INIZCTEOSA-N 311.470 2.364 0 40 DEAB Cc1ccc(C[C@@H](CNC(=O)CC[C@H]2CCCO2)C(=O)O)cc1 95970686 ISVVVNYXJWPBJE-JKSUJKDBSA-N 319.401 2.314 0 40 DEAB COC(=O)CCSc1nnc(-c2ccc(OC)cc2OC)o1 8252005 KUCDZPJRKGBZNU-UHFFFAOYSA-N 324.358 2.409 0 40 DEAB COc1ccc(NC(=O)NCCNC(=O)OC(C)(C)C)cc1 9576292 LHWDVNDNCZJVPP-UHFFFAOYSA-N 309.366 2.341 0 40 DEAB COc1cc(CNCc2ccc(CO)c(F)c2)cc2c1OCO2 71825345 LSQTXQASEPWDNV-UHFFFAOYSA-N 319.332 2.345 0 40 DEAB Cc1ccoc1C(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1 69558965 FDCIZDGYRJYRPG-OAHLLOKOSA-N 312.369 2.208 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccc(Cn2cccn2)cc1 69622296 SWOUQEFDWFVJOR-AWEZNQCLSA-N 324.388 2.338 0 40 DEAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1c[nH]c2ncccc12 71822640 HSNGLJXRTAKAGI-CQSZACIVSA-N 308.341 2.059 0 40 DEAB NC(=O)CC1CCN(C(=O)/C=C/c2cc(F)ccc2F)CC1 71823413 OGCOMLDWFSDPTC-DAFODLJHSA-N 308.328 2.092 0 40 DEAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cn4cccnc4n3)C2)n1 69894893 VZFVIEJCBOIUJQ-AWEZNQCLSA-N 324.388 2.020 0 40 DEAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2n[nH]c3ccccc23)C1 69901669 PQRRPWSWGPZNOU-AWEZNQCLSA-N 323.400 2.474 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)c1nc(C)c(C)n1C1CC1 95955544 PISNVCAFEQZKDH-UHFFFAOYSA-N 309.391 2.414 0 40 DEAB CNC(=O)c1cc(OC)ccc1NC(=O)Cc1cccs1 71924326 UZEJFRUYVQWLIK-UHFFFAOYSA-N 304.371 2.298 0 40 DEAB CC(C)CNC(=O)[C@H](C)Sc1nc(-c2ccccn2)n[nH]1 71910018 DNKJELBLUDEAPD-JTQLQIEISA-N 305.407 2.120 0 40 DEAB O=C(Cc1ccccc1F)NCCc1cccc(C(=O)O)c1 95953337 UGUSOMUOXGBZBM-UHFFFAOYSA-N 301.317 2.425 0 40 DEAB C[C@H](CNC(=O)N[C@H](C)[C@@H](C)CO)c1ccc(F)c(F)c1 74387151 QZVYKJKXBVCIDB-OUAUKWLOSA-N 300.349 2.384 0 40 DEAB NC(=O)N1CC[C@@H](NC(=O)c2ccc(-c3cccs3)s2)C1 97084858 WLUOAPHXUYYQDB-SECBINFHSA-N 321.427 2.359 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 72234039 JMAFAIFFAWIIPA-HNNXBMFYSA-N 324.388 2.286 0 40 DEAB CNc1snc(C)c1C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72282761 SHJDJLOJPJQFNL-SNVBAGLBSA-N 305.407 2.236 0 40 DEAB O=C(CCCn1ccnc1)Nc1nc(-c2ccccc2F)n[nH]1 72294958 WJAPQKOUMLJHSL-UHFFFAOYSA-N 314.324 2.226 0 40 DEAB O=C(c1ccnc(OC2CCCCC2)c1)N1CCC[C@@H]1CO 89343592 YGGCMEUOLFCERX-CQSZACIVSA-N 304.390 2.390 0 40 DEAB CCc1ccc(NC(=O)N2CCOC[C@H]2C[C@H](C)O)cc1F 97161764 JNEXRDLQUKGION-SMDDNHRTSA-N 310.369 2.392 0 40 DEAB CC(C)COc1cncc(N2CCC[C@@H](N3CCCC3=O)C2)n1 86183321 IATMJNPNKJWQJJ-CQSZACIVSA-N 318.421 2.103 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@H](C)Cc2ccco2)c(=O)[nH]1 75111188 FYVLWGPIUPOOMK-GFCCVEGCSA-N 303.362 2.015 0 40 DEAB COc1cc(CN2CC[C@@H](NC(=O)C(C)(C)C)C2)cc(OC)c1 89621287 KYOQHTSQXODFAZ-CQSZACIVSA-N 320.433 2.440 0 40 DEAB O=C(CCc1ccc(F)cc1)Nc1c[nH]nc1[C@@H]1CCNC1 1549743056 FMXHEJWBLABKRG-GFCCVEGCSA-N 302.353 2.197 0 40 DEAB O=C(c1cnccn1)N1CCC(Oc2ccccc2F)CC1 72351053 FFHSMMQEJJJGPE-UHFFFAOYSA-N 301.321 2.299 0 40 DEAB CCOc1ccc2c(c1)CN(c1ncnc3c1CN(C)CC3)CC2 65474254 QNCNXVNGGIUGTO-UHFFFAOYSA-N 324.428 2.426 0 40 DEAB CCCc1nc(SC)[nH]c(=O)c1I 217586917 LCWGIZCBRYLGRE-UHFFFAOYSA-N 310.160 2.049 0 40 DEAB COc1ccccc1CN1CCN(C(=O)CC(F)(F)F)CC1 69627459 HCKGLKVRNOYQKB-UHFFFAOYSA-N 316.323 2.292 0 40 DEAB CN(C(=O)c1ccccc1NS(C)(=O)=O)C1CCCCC1 30855640 FXXUMJYEEYDUFS-UHFFFAOYSA-N 310.419 2.463 0 40 DEAB O=C1NC2(CCN(Cc3ccncc3)CC2)Oc2ccccc21 72347624 AYWNYSGPHPSVML-UHFFFAOYSA-N 309.369 2.196 0 40 DEAB CC(C)CNc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217415647 VXNIPTWGPOCWTF-UHFFFAOYSA-N 314.407 2.139 0 40 DEAB CCOc1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1 72402366 ZMLZWNCFGWBMIQ-UHFFFAOYSA-N 315.377 2.370 0 40 DEAB Cc1cccc(C)c1CCNC(=O)N1CCC[C@H](OCCO)C1 189410087 DZULIXDRCMGRGK-INIZCTEOSA-N 320.433 2.029 0 40 DEAB C[C@H](c1cnccn1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 189333855 FRGQZSGJEQVWQW-CHWSQXEVSA-N 306.410 2.479 0 40 DEAB c1ccc(COC[C@@H]2CCN(c3ncnc4[nH]cnc34)C2)cc1 78464876 BJDRCVZOAAOWGJ-CQSZACIVSA-N 309.373 2.396 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc(C(=O)O)cc2)C1 89223669 QJBKEMOLZCNEGH-LBPRGKRZSA-N 306.362 2.488 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(C(=O)O)cc1 225458836 ZZRVSBNTMOLOLK-JTQLQIEISA-N 315.373 2.096 0 40 DEAB COc1cc(C)c(S(=O)(=O)NCCCOC(C)C)c(C)c1 225777544 NUKUICANYZQCKL-UHFFFAOYSA-N 315.435 2.405 0 40 DEAB CN(C)C(=O)C(C)(C)NC(=O)c1ccc2ccc(Cl)cc2n1 84108951 LVPSZPRYRTWBML-UHFFFAOYSA-N 319.792 2.485 0 40 DEAB CC(=O)Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 226629110 MDTWGIKGLITWIA-FFRIZKCHSA-N 323.348 2.169 0 40 DEAB CCOC(=O)c1ccc(N2CCN(C)CC2)c(-n2cccc2)c1 226245674 DIHVCGYOXFMVOG-UHFFFAOYSA-N 313.401 2.406 0 40 DEAB CCN(CC)CCNC(=O)[C@@]1(C)CC(c2cccs2)=NO1 226749779 BHABPXHWJLQQTR-OAHLLOKOSA-N 309.435 2.089 0 40 DEAB C[C@]1(C(=O)NCc2ccncc2)Sc2ccccc2NC1=O 40773748 TWJHJCSGMNZZQB-MRXNPFEDSA-N 313.382 2.201 0 40 DEAB Cc1ccc([C@H](CNCc2cccnc2)N2CCOCC2)o1 135946408 DHRPBKRAEVSLOL-INIZCTEOSA-N 301.390 2.146 0 40 DEAB Cc1csc(NC(=O)CNC(=O)c2c[nH]c3ccccc23)n1 49027817 ZDFQOISYECDVRH-UHFFFAOYSA-N 314.370 2.301 0 40 DEAB Cc1ccccc1CS(=O)(=O)NCCOc1ccccc1 224166413 OVNGGFHACCSCSM-UHFFFAOYSA-N 305.399 2.493 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)CCS(=O)(=O)c1ccccc1 42381861 HDEDEBUBEYVTQX-CYBMUJFWSA-N 321.398 2.191 0 40 DEAB COC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 83688257 BJEHWJIESOFKGW-UHFFFAOYSA-N 305.783 2.203 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225686106 XEXRKMOTKJOYHZ-SECBINFHSA-N 314.432 2.160 0 40 DEAB CO[C@H](C)CS(=O)(=O)Nc1cccc(C(C)(C)C)c1O 193343795 FCJRGYRZOOWQSG-SNVBAGLBSA-N 301.408 2.466 0 40 DEAB CC(C)CNC(=O)[C@@H]1C[C@]12C(=O)N(CC1CC1)c1ccccc12 96080029 JUVYRQBYSNSLCA-HNAYVOBHSA-N 312.413 2.473 0 40 DEAB CCOC(=O)c1ccc(NC(=O)CCNc2ncccn2)cc1 95480820 PGCAUHFWASXMBJ-UHFFFAOYSA-N 314.345 2.094 0 40 DEAB CCOc1cc([C@@H](N)c2n[nH]c([C@@H]3CCCO3)n2)ccc1OC 95534451 WVMNLMRAVUTSAL-GXTWGEPZSA-N 318.377 2.112 0 40 DEAB COc1cccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)c1 96425519 ODAXIPMPSSNQIV-NSHDSACASA-N 301.390 2.407 0 40 DEAB O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2c1ccccn1 96038561 ORBFLQCFFQCZBZ-QWHCGFSZSA-N 300.387 2.032 0 40 DEAB Cc1ccc(CN2CCO[C@H]3CN(Cc4ccncc4)C[C@H]32)o1 96248792 WQRFMJXIVDAOJJ-MSOLQXFVSA-N 313.401 2.068 0 40 DEAB Fc1cccnc1OC[C@H]1CCOC12CN(Cc1ccoc1)C2 247517287 KFRGQQQTEFWEEJ-CQSZACIVSA-N 318.348 2.484 0 40 DEAB COc1ccc(C(=O)N2CCOC[C@@H](CCN(C)C)[C@@H]2C)cc1 248124944 OGARCHGVVSHGII-GOEBONIOSA-N 320.433 2.124 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](CN)c2ccccc2)C1 255976067 HFBDLIGBWDZLIQ-HUUCEWRRSA-N 305.422 2.285 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCCn3nc(C)cc3C)C2)n1 257258885 KVXBEOXPVVKNKF-OAHLLOKOSA-N 315.421 2.328 0 40 DEAB CC(C)[C@@H]1CCCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 251333361 OTDUXCJDBQDGML-WOSRLPQWSA-N 310.463 2.478 0 40 DEAB CNc1cc(C)nc([C@]2(C)CCCN2Cc2cnn(C)c2)n1 257329282 XJELKAAIXWIOOE-INIZCTEOSA-N 300.410 2.071 0 40 DEAB CO[C@@H](C)C(=O)Nc1ccc(OCC(=O)O)c2ccccc12 262534443 TWQRJANJQWWVGD-JTQLQIEISA-N 303.314 2.277 0 40 DEAB COc1cc(N[C@H]2CCCN([C@@H](C)C(=O)O)C2)cc(OC)c1 262816762 ZKCUFRKGJVPXFR-RYUDHWBXSA-N 308.378 2.053 0 40 DEAB COC[C@@H]1CCn2nccc2CN1C(=O)c1ccccc1F 585098434 YFHLPMDKHBDZJP-ZDUSSCGKSA-N 303.337 2.083 0 40 DEAB CCCN1CCCN(C(=O)COc2ccccc2OC)CC1 69779454 BBCBQVIOBSUOJF-UHFFFAOYSA-N 306.406 2.018 0 40 DEAB NC(=O)[C@@H](NC(=O)NCc1ccc2c(c1)CCC2)c1ccccc1 61632550 ZROINXIEQVRENK-KRWDZBQOSA-N 323.396 2.201 0 40 DEAB O=C(N[C@H]1CC(=O)N(C2CC2)C1)c1ccccc1C(F)(F)F 75161357 WQBKEFBOOLVSES-VIFPVBQESA-N 312.291 2.199 0 40 DEAB CC[C@H](CCc1ccccc1)NS(=O)(=O)C[C@@H]1CCCCN1 1573699057 JFAPCUFIZMOTPU-SJORKVTESA-N 324.490 2.459 0 40 DEAB CNS(=O)(=O)CCCN1C[C@@H](C)C[C@H]1c1cccc(F)c1 76089596 PLJONMZHZSNIIQ-WFASDCNBSA-N 314.426 2.148 0 40 DEAB O=C1CSc2ccc(C(=O)OCCCn3cccn3)cc2N1 78715137 KTYZMWWRHZVEOH-UHFFFAOYSA-N 317.370 2.174 0 40 DEAB CC(=O)N1CC[C@H](NCc2cc(F)ccc2Br)C1 90189126 LPVCFQZEQMQIPF-LBPRGKRZSA-N 315.186 2.299 0 40 DEAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1Cl 89091777 RNISNQVUYMSVOP-GZMMTYOYSA-N 323.245 2.399 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OC)nc2)c1C 12551702 XJABEWSFUQBABT-UHFFFAOYSA-N 317.345 2.464 0 40 DEAB CCCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)O 16756520 WOUBFCVOQGJKPM-LLVKDONJSA-N 323.773 2.401 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(CN2CCOCC2)cc1 19809846 FFZYPUYWTIIDEL-JQHSSLGASA-N 314.429 2.437 0 40 DEAB O=C(O)[C@@H]1CN([C@@H]2C[C@@H]2F)c2c(cc(F)c(F)c2Cl)C1=O 169725172 OVOOIZQRRLHKRY-GKROBHDKSA-N 319.666 2.432 0 40 DEAB C[C@@H](CN[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[S@](C)=O 167472323 BHHOWADKIVUGPW-OYMPBJRDSA-N 318.483 2.133 0 40 DEAB CC(C)(C)c1ccc(OC[C@@H]2CCN(c3ccncn3)C2)nn1 1888843219 GIYWQKBFJQQQKP-CYBMUJFWSA-N 313.405 2.469 0 40 DEAB COc1cccc(C(=O)N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)c1 1888863811 WZHYBAVKWFBVPS-HUUCEWRRSA-N 300.402 2.252 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)c1cc2c(nn1)CCC2 1888906253 YDYUXEJYZLARKX-UHFFFAOYSA-N 306.369 2.419 0 40 DEAB O=S(=O)(N[C@H]1CCCN(C/C=C/c2ccccc2)C1)C1CC1 1889138786 WYMRHYDLNPRKEX-YCOJEUHLSA-N 320.458 2.246 0 40 DEAB CS[C@@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 252511272 ZVUUQDMSRZAQBY-CYBMUJFWSA-N 313.444 2.405 0 40 DEAB COc1ccc(OC)c2sc(NC(=O)c3ccnn3C)nc12 11695082 FMMJLQACYGWVMA-UHFFFAOYSA-N 318.358 2.299 0 40 DEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCC(C)(C)N(C)C 73092185 UDZTWWIDORTLHU-UHFFFAOYSA-N 317.437 2.391 0 40 DEAB CC(C)c1nn(C)cc1CNCc1ccccc1Cn1cncn1 40153237 RMCPGXZYQWWRCX-UHFFFAOYSA-N 324.432 2.473 0 40 DEAB O=C(O)C1=C[C@@H](c2ccc(-c3ccccc3)cc2)n2nnnc2N1 101675745 AGEGMBHGYHPHDP-HNNXBMFYSA-N 319.324 2.324 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cn2)cc1 32517558 LXRZMEUGNXJPJX-UHFFFAOYSA-N 310.762 2.391 0 40 DEAB O=C(Nc1ccc(F)cc1F)[C@H]1CC[C@@H](C(F)(F)F)NC1=O 32652534 YJMVNPZIVXZDMU-XCBNKYQSSA-N 322.233 2.360 0 40 DEAB CC1CCC(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 102636823 CYLMDSGAIYGLNI-ZMYVRHLSSA-N 320.433 2.247 0 40 DEAB Cc1noc(C)c1CCC(=O)NC[C@H]1Cc2ccccc2O1 33112784 YXCHWLKQFPSGBF-CQSZACIVSA-N 300.358 2.344 0 40 DEAB O=C(c1cnn(-c2ccccc2)n1)N(Cc1ccccn1)C1CC1 52952899 PCIUZUDGEAVRGD-UHFFFAOYSA-N 319.368 2.467 0 40 DEAB CCCC1=NN(C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)C1 139346 BXGDOXYYYQYOHY-LBPRGKRZSA-N 301.268 2.335 0 40 DEAB O=C(CNC(=O)c1csc(NC2CC2)n1)Nc1ccccc1 78869482 JNIKINYQTNISGA-UHFFFAOYSA-N 316.386 2.086 0 40 DEAB Cc1c(-c2nnc3sc(Cc4ccccc4)nn23)cnn1C 79495365 QLIKIDHMGKZEBU-UHFFFAOYSA-N 310.386 2.486 0 40 DEAB COC(=O)c1ccc(NC(=O)CCNCc2ccco2)cc1 2701326 YDGIQGLPTIEQKV-UHFFFAOYSA-N 302.330 2.185 0 40 DEAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(F)cccc1F 7552174 QNGXTVJDXDXAJX-LBPRGKRZSA-N 312.341 2.273 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)c1cccs1)c1ccsc1 8895944 WVVJWFOGGXBGKD-NSHDSACASA-N 316.473 2.391 0 40 DEAB CC1(C)[C@@H](C(=O)NCCc2c[nH]c3ccccc23)[C@H]1C(=O)O 62001815 LNZHJJDGUYRQQP-KGLIPLIRSA-N 300.358 2.183 0 40 DEAB biogenic Cc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n(C)n1 43432678 HPUDTRONQZWMGO-LLVKDONJSA-N 316.361 2.382 0 40 DEAB Nc1nccnc1C(=O)OCc1ccc(OC(F)(F)F)cc1 25217795 PBXQZIFQDDMEGB-UHFFFAOYSA-N 313.235 2.314 0 40 DEAB Cc1ccc(CNS(=O)(=O)NCc2ccc(C)cc2)cc1 1403223 OXAKSKRODNNPQO-UHFFFAOYSA-N 304.415 2.428 0 40 DEAB O=C([C@@H]1COc2ccccc2C1)N1CCC[C@H](c2ccn[nH]2)C1 72282754 YPKZQRMRXZVVIZ-GJZGRUSLSA-N 311.385 2.367 0 40 DEAB COc1ccsc1C(=O)N1CCC[C@@H](n2nc(C)nc2C)C1 72268095 BCERUICHYJDFLK-GFCCVEGCSA-N 320.418 2.442 0 40 DEAB C[C@H](NCc1cccc(S(=O)(=O)N(C)C)c1)c1ccccn1 48230605 ZNGSUYUCPGOOSR-ZDUSSCGKSA-N 319.430 2.183 0 40 DEAB COCCOCC(=O)N[C@H](C)c1ccc(OC(F)F)cc1 44619164 RNGZLSJZXWCKLT-SNVBAGLBSA-N 303.305 2.128 0 40 DEAB CSc1nnnn1-c1cccc(NC(=O)c2ccncc2)c1 58226589 XXKKAPLOQJGVLL-UHFFFAOYSA-N 312.358 2.032 0 40 DEAB CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2ccccc2c1O 58245451 YSESMJAQSHJXIZ-OAHLLOKOSA-N 312.369 2.286 0 40 DEAB Cc1nc(COc2ccccc2C(=O)N2CCSCC2)no1 44955042 ZGRVMHUHGWGATA-UHFFFAOYSA-N 319.386 2.146 0 40 DEAB CS(=O)(=O)c1ccc(NCc2nc3c(s2)CCC3)cn1 97115590 LTDKBAMICYWSEM-UHFFFAOYSA-N 309.416 2.042 0 40 DEAB Cc1sc2ncnc(NC[C@@H]3CCS(=O)(=O)C3)c2c1C 37982183 WIYQULFRYQPJES-JTQLQIEISA-N 311.432 2.155 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CC[C@H](Cc2cnn(C)c2)C1 72309427 LMQVLCJRXGUNNF-VXGBXAGGSA-N 301.394 2.306 0 40 DEAB CNc1snc(C)c1C(=O)NC[C@H]1Cc2ccccc2O1 65428562 XEGFILFEVHNXHK-LLVKDONJSA-N 303.387 2.227 0 40 DEAB O=C(NCc1cccnc1-n1ccnc1)[C@@H]1C[C@@H]1c1ccco1 84358302 CFSYPEOAVXGLDB-UONOGXRCSA-N 308.341 2.280 0 40 DEAB O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1F 6315577 QBSGKORMMJYCQY-UHFFFAOYSA-N 309.318 2.398 0 40 DEAB c1ccc(Cn2ncc3c(NC[C@@H]4CCCO4)ncnc32)cc1 5347576 OSQURGFVRYPBDE-AWEZNQCLSA-N 309.373 2.466 0 40 DEAB O=C(NC1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccc[nH]1 65613895 YBFADJFKRAJXJF-UHFFFAOYSA-N 315.348 2.188 0 40 DEAB COc1ccc(CC(=O)Nc2nc(C)cc(C)n2)cc1OC 5680671 FLWKPULCAASRHW-UHFFFAOYSA-N 301.346 2.292 0 40 DEAB biogenic CCn1c(CCNC(=O)c2cc3ccccc3[nH]2)n[nH]c1=S 67078025 LEIPOVWBLRDYPY-UHFFFAOYSA-N 315.402 2.414 0 40 DEAB Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 15198125 BOYYPPZFFCRGPG-VIFPVBQESA-N 322.386 2.186 0 40 DEAB Cn1cc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)cn1 83455956 SRZMGVFQVYQFNJ-INIZCTEOSA-N 308.426 2.203 0 40 DEAB CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@@H](C)c1ccncc1 84597527 URUURPTULLELIN-STQMWFEESA-N 306.410 2.087 0 40 DEAB C[C@H](Oc1ccc(OCc2nccn2C(F)F)cc1)C(N)=O 81080269 QJNGVEVAPUJIAK-VIFPVBQESA-N 311.288 2.110 0 40 DEAB COc1ccccc1CC(=O)Nc1cccc(S(C)(=O)=O)c1 7944148 XJQYMFBSNWEZHJ-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB COc1cccc(-n2c(=O)c3c(c4c(N)ncnc42)CCCC3)c1 9423248 KXBVFZZUTIXYNO-UHFFFAOYSA-N 322.368 2.250 0 40 DEAB COC(=O)Cn1ccc(NC(=O)Nc2cccc(Cl)c2)n1 69217401 XLQVGFWSLDDRCT-UHFFFAOYSA-N 308.725 2.354 0 40 DEAB Cc1noc([C@H](C)N2CCN(c3ncnc4ccccc34)CC2)n1 69385970 LETYDLVTZQNRCK-LBPRGKRZSA-N 324.388 2.204 0 40 DEAB Cc1noc([C@@H](C)N2CCN(Cc3cccc(F)c3)CC2)n1 69414683 IRNDHBLICYDPOM-GFCCVEGCSA-N 304.369 2.396 0 40 DEAB Cc1cc(NC(=O)N(C)C[C@H](O)COCc2ccccc2)on1 69533289 GQXVSQQYPCKJAB-AWEZNQCLSA-N 319.361 2.024 0 40 DEAB Cc1cccn2cc(CC(=O)N3CCC[C@@H](n4cccn4)C3)nc12 69708307 TWNWGYASFAPQTK-MRXNPFEDSA-N 323.400 2.245 0 40 DEAB Cn1cc([C@H]2C[C@@H]2C(=O)OCc2cccc3c2OCCO3)cn1 69872773 ISKAVWOVDDLSGD-KGLIPLIRSA-N 314.341 2.038 0 40 DEAB COc1cccc(SCC(=O)NC[C@H]2CCCN(C)C2)c1 71888545 RQQSUVJYIHTIJF-CYBMUJFWSA-N 308.447 2.245 0 40 DEAB O/C(=N\CCNc1ncnc2ccsc12)c1ncccc1O 71893780 BFEQUSJZPVGJQS-UHFFFAOYSA-N 315.358 2.209 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)OCC(=O)c1ccc[nH]1 18384352 ORSIRSAOZBKDGP-UHFFFAOYSA-N 317.389 2.453 0 40 DEAB Cc1cccc(OCCCC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 71829836 VUOADURXUMCUAT-HUUCEWRRSA-N 318.417 2.266 0 40 DEAB CC[C@@H](CCO)CNC(=O)c1cnn(-c2ccc(F)cc2)c1C 84733263 DEUYEZVOWSSCGX-ZDUSSCGKSA-N 319.380 2.458 0 40 DEAB Cc1cc(S(=O)(=O)N(C)CC2(O)CCCC2)ccc1F 95978055 VWNGDXGEEQQZJW-UHFFFAOYSA-N 301.383 2.060 0 40 DEAB O=C(NCc1ccc(-n2ccnc2)nc1)NC(C1CC1)C1CC1 95948734 UEQRKJBUZKXBAR-UHFFFAOYSA-N 311.389 2.255 0 40 DEAB Cc1c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)cnn1C 95969785 FKTVIFWOAZNZRI-GFCCVEGCSA-N 315.373 2.092 0 40 DEAB O=C(c1cc(F)c(F)cc1F)N1CCC(n2ccnn2)CC1 95979314 KPTCIHHBMSZLPF-UHFFFAOYSA-N 310.279 2.173 0 40 DEAB Cc1ccc(C(=O)N(C)CCOc2ccccc2Cl)c(=O)[nH]1 75118223 CDGHBWAFLWAROD-UHFFFAOYSA-N 320.776 2.488 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cccnc2O1 89941267 IDIHYZTZSWPAON-JTQLQIEISA-N 308.334 2.197 0 40 DEAB COCCCN(C/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 75612751 NXVRYXZEKMIIOB-MPNRVQBSSA-N 323.458 2.225 0 40 DEAB OCc1ccnc(C(F)(F)F)c1I 307102468 AEZDMKCMYSHQDH-UHFFFAOYSA-N 303.021 2.197 0 40 DEAB Cc1c([C@@H](C)NC(=O)[C@H]2CCC(=O)N2)oc2ccc(F)cc12 69848843 NXMKXBNDBPDFBY-BXKDBHETSA-N 304.321 2.336 0 40 DEAB O=C(c1cnn2c1OCCC2)N1CCN(C2CC2)c2ccccc21 556750608 PVPIRIIKHZLCMI-UHFFFAOYSA-N 324.384 2.295 0 40 DEAB CCOc1ccc(Nc2nc3c(C)nn(C)c3c(=O)n2C)cc1 32651480 LZTPZZPSOAHUMD-UHFFFAOYSA-N 313.361 2.118 0 40 DEAB CSc1ccc(C(=O)N2CC(Nc3ccncn3)C2)cc1 670624996 BRDHLMMOFHVJSG-UHFFFAOYSA-N 300.387 2.135 0 40 DEAB Cc1ccc(C(=O)N(CC(=O)O)n2c(C)cc(C=O)c2C)cc1 34776614 RPHZOIOSLYAORU-UHFFFAOYSA-N 314.341 2.089 0 40 DEAB COc1ccc([C@@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218099168 DRJFCBRDSOLEIA-BBWFWOEESA-N 318.394 2.243 0 40 DEAB CCOC(=O)C1=NN(c2ccc(C(C)C)cc2)[C@@H](C(=O)O)C1 71979366 UWKDJXOZANSMGT-CQSZACIVSA-N 304.346 2.392 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217427420 JJAMFGQHRVCMKE-SECBINFHSA-N 312.391 2.036 0 40 DEAB Cc1nonc1C(=O)NCc1csc(-c2ccccc2)n1 72265235 SZILNVKOYYLTBL-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 44884395 IWGAOMIMCXKELC-QMMMGPOBSA-N 304.799 2.240 0 40 DEAB Cc1cc(NC(=O)N[C@@H]2CCc3ncnn3C2)c2ncccc2c1 133361614 ROMHKROVNPNOQD-CYBMUJFWSA-N 322.372 2.271 0 40 DEAB O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 222360214 ZBZQEVZNRMYSMZ-FEBGTGIISA-N 315.413 2.450 0 40 DEAB C[C@H]1CN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)C[C@@H](C)O1 222278798 DUVYWRFDLJVUQZ-IIYDPXPESA-N 302.374 2.206 0 40 DEAB O=C(CCn1ncc2c(Cl)cccc21)NC[C@@H]1CCCO1 40759403 MXFFQTOCBKPKRQ-NSHDSACASA-N 307.781 2.375 0 40 DEAB C[C@]1(C(=O)N2CCSCC2)Sc2ccccc2NC1=O 40773882 JCBGDJPONZTFBR-AWEZNQCLSA-N 308.428 2.065 0 40 DEAB CCN1CCN(Cc2nc(-c3ccc(C)c(F)c3)no2)CC1 48288473 BHQKHLIAVBLCOI-UHFFFAOYSA-N 304.369 2.322 0 40 DEAB O=C(NCc1ccnc(N2CCCCC2)n1)c1cccs1 224207360 KWTRHOUZXGEOKH-UHFFFAOYSA-N 302.403 2.458 0 40 DEAB Cc1ncsc1CNC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 332149035 RTGRCHBQIFNHCZ-IINYFYTJSA-N 304.371 2.296 0 40 DEAB COc1ncccc1CN1CCC2(CC1)CN(CC(C)C)C2=O 96202820 RUFREBMCSLZGPR-UHFFFAOYSA-N 317.433 2.171 0 40 DEAB CCN(CC)[C@H]1CCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)C1 96439331 BHKGLOWGNHMNOH-ZBFHGGJFSA-N 321.469 2.014 0 40 DEAB Cc1ccc(C(=O)N2CCn3c(CN(C)C(C)C)cnc3C2)o1 96061788 MZQKXRBCTXBEJH-UHFFFAOYSA-N 316.405 2.281 0 40 DEAB Cc1c[nH]/c(=N/C(=O)c2cnc(OCC3CC3)c(Cl)c2)[nH]1 96502602 PGAAUZLZVGBMFX-UHFFFAOYSA-N 306.753 2.230 0 40 DEAB Cc1cccc(-n2cc(C(=O)N3CCCSCC3)nn2)c1 96402758 WEKALDOQHPHBJY-UHFFFAOYSA-N 302.403 2.155 0 40 DEAB CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C3CCCC3)C2)O1 96208431 NJMFXMAAKBTFFQ-NVXWUHKLSA-N 309.454 2.214 0 40 DEAB CC(C)[C@@H](CO)NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 97378792 XAUPCQMMWTUZBX-BZUAXINKSA-N 306.406 2.223 0 40 DEAB O=C(c1c(F)cccc1F)N1CCC2(CC1)OCCC[C@H]2O 257219913 DIUVTXGXUSSWBA-CYBMUJFWSA-N 311.328 2.111 0 40 DEAB CNc1nccnc1C[C@@H]1CCCN(Cc2cscn2)C1 257285531 PHPLTUMEWMEYLD-LBPRGKRZSA-N 303.435 2.430 0 40 DEAB CNC(=O)CN1CCC[C@@H](Cc2ccnc3ccncc23)CC1 257247084 IXIZMDYGLOTTFV-CQSZACIVSA-N 312.417 2.020 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccc(C)n2)C[C@H]1c1ccccc1 257261096 LFRSXNYNQPSJII-SFHVURJKSA-N 323.396 2.436 0 40 DEAB Cc1csc(C(=O)N2CCO[C@@H](c3ccnc(C)n3)C2)c1 257320626 VXPNKNPNCHCYEM-CYBMUJFWSA-N 303.387 2.369 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N1CCN(C)[C@@H](c2ccccc2)C1 257283797 OZWRFBGIXAMCKC-QGZVFWFLSA-N 312.417 2.084 0 40 DEAB COCC[C@H]1CN(C(=O)c2cc(C)no2)Cc2cccn2C1 585095257 KRFGPJSWDDQVFD-CYBMUJFWSA-N 303.362 2.093 0 40 DEAB Cc1ccc(OCc2nnc3n2CCN(C(C)C)[C@@H](C)C3)cn1 585098027 QRMAIKAWCGDYFI-AWEZNQCLSA-N 315.421 2.216 0 40 DEAB c1cc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)ccn1 585102671 FRMDKXADZMADOL-KRWDZBQOSA-N 302.418 2.489 0 40 DEAB O=C1CC[C@@]2(CCCN(CC3CC3)CC2)N1C[C@H]1CCCO1 585099891 URGDEMQLYCJNFD-SJLPKXTDSA-N 306.450 2.423 0 40 DEAB CCn1cncc1CN1CC[C@](O)(COc2cccc(F)c2)C1 585278542 TZZOPZBZIUSBKD-QGZVFWFLSA-N 319.380 2.058 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCN(Cc2c(C)cnn2C)C1 585277755 OWMBHRLOLYVFRO-SFHVURJKSA-N 315.417 2.053 0 40 DEAB Cc1cnn([C@H](C)[C@H](C)NCC(=O)Nc2ccc(Cl)cn2)c1 69894868 MZYBLAZOSNDODG-NWDGAFQWSA-N 321.812 2.418 0 40 DEAB Cc1cccc2nc(CNS(=O)(=O)c3cccs3)cn12 68944256 MWVGEJDKFVULAV-UHFFFAOYSA-N 307.400 2.183 0 40 DEAB Cc1ccc(N(C)C(=O)C2CCN(C(=O)N(C)C)CC2)cc1 72070057 VEUSZTAXHBLKLW-UHFFFAOYSA-N 303.406 2.351 0 40 DEAB O=S(=O)(NCc1ccsc1)c1cnn(-c2ccccc2)c1 58280062 MBRXHPZICSOZSJ-UHFFFAOYSA-N 319.411 2.412 0 40 DEAB C[C@@H](CO)NC(=O)NCCCO[C@H]1CCCc2ccccc21 73221241 WVEPKKTYMSJPEF-BBRMVZONSA-N 306.406 2.151 0 40 DEAB Cc1cc(C)n(-c2ccccc2NS(=O)(=O)c2cn[nH]c2)n1 57117481 XBUYCMDAMIRJAZ-UHFFFAOYSA-N 317.374 2.013 0 40 DEAB CC(=O)Nc1cccc(CNC(=O)NCc2ncc(C)s2)c1 76085477 IZWTVBVJEZKAFR-UHFFFAOYSA-N 318.402 2.409 0 40 DEAB COc1cc(C)ccc1OCCC(=O)NCc1c(C)n[nH]c1C 89623575 ZLUVWPAGVGBJFF-UHFFFAOYSA-N 317.389 2.429 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H]3CO)cc2)n1 153827834 VXTZAVVLPWKTJQ-QGZVFWFLSA-N 313.401 2.145 0 40 DEAB CC(=O)c1cccc(OCC(=O)NC(=O)NC2CCCC2)c1 6606457 VFACLVDCLNKEMO-UHFFFAOYSA-N 304.346 2.036 0 40 DEAB CCC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2)n2ncnc2N1 4694677 QUHRDMAPNVUSJI-CYBMUJFWSA-N 302.309 2.269 0 40 DEAB Cc1ccccc1OCC(=O)N[C@H]1CC(=O)N(c2ccccc2)C1 5193369 OPJCVXIAFWHNHM-HNNXBMFYSA-N 324.380 2.296 0 40 DEAB CCOC(=O)c1csc(NC(=O)c2ccc3c(c2)OCO3)n1 9175755 ODYCTOYXYSQWDM-UHFFFAOYSA-N 320.326 2.301 0 40 DEAB C=CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 35160154 ZLEMLUZUDFSHBB-UHFFFAOYSA-N 308.403 2.294 0 40 DEAB CN(C)c1cccc(C(=O)NCc2ccnc(-n3cccn3)c2)c1 40512332 LBMBURPGHCIYIK-UHFFFAOYSA-N 321.384 2.263 0 40 DEAB COc1ccc(S(=O)(=O)Nc2cccc3[nH]ncc23)cc1 40555793 KVIJKIINUFPSSK-UHFFFAOYSA-N 303.343 2.372 0 40 DEAB O=c1oc(-c2cccs2)nn1C[C@@H](O)c1cccc(F)c1 51291056 CSKHUKOTJVZQJL-LLVKDONJSA-N 306.318 2.438 0 40 DEAB CN1CCCC[C@@H]1CN1CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 101401789 HNNASAHHWJHEPQ-IKGGRYGDSA-N 319.493 2.051 0 40 DEAB Cc1cnc(C(=O)N2CCCN(Cc3cccs3)CC2)cn1 32914661 QOWURYHAOYKGJC-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB CN1CCN(CCCNC(=O)C2CCC2)[C@@H](c2ccccc2)C1 33135269 CGNYIONDJISFNZ-GOSISDBHSA-N 315.461 2.282 0 40 DEAB CCn1nc2c(c(C(F)F)cc(=O)n2CCC(=O)OC)c1C 12398145 ZRDCFXKLCMEWBY-UHFFFAOYSA-N 313.304 2.027 0 40 DEAB COc1ccc2nc(-n3cc(C)c(=O)c(C)c3C(=O)O)[nH]c2c1 77294135 CDVIAIZPAAQCEE-UHFFFAOYSA-N 313.313 2.037 0 40 DEAB in-vitro Cc1ccc(-c2nnn(CC(=O)N(C)C3CCCCC3)n2)cc1 419575 BWWLEHREDBABKK-UHFFFAOYSA-N 313.405 2.440 0 40 DEAB CCONC(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 78239927 YGYUBNOHRRFKPT-GNFNDJEDSA-N 320.433 2.262 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)c1c(C)nc(C(C)(C)C)[nH]c1=O 78985186 XKKUZEXCLRMEKZ-LBPRGKRZSA-N 321.421 2.017 0 40 DEAB Cc1nn(C)c(C(=O)N(C)Cc2c(C)nn(C)c2C)c1Cl 2776783 HUUUCNUVERITDE-UHFFFAOYSA-N 309.801 2.004 0 40 DEAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1nc[nH]n1 23141274 NKNMEVQYUBLLLV-UHFFFAOYSA-N 317.330 2.272 0 40 DEAB NC(=O)[C@H](NCCCn1cnc2ccccc21)c1ccccc1 54609182 VXWTZOXJDYCEEG-QGZVFWFLSA-N 308.385 2.243 0 40 DEAB Cc1cc([C@@H](C)NC(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c(C)o1 97058150 JMROTWWJAKZEGD-YPMHNXCESA-N 319.405 2.268 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=O)N[C@H](C)c1ccncc1 72271045 URRVTDSCCSVXTE-GFCCVEGCSA-N 306.410 2.089 0 40 DEAB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)CCC2=O)c1 8475677 VRKQAKBZGXVRID-UHFFFAOYSA-N 311.341 2.142 0 40 DEAB Cc1cc(CN(C)C(=O)c2nn(-c3ccccc3)nc2C)no1 25137503 DDXMDCRBJPVGRG-UHFFFAOYSA-N 311.345 2.144 0 40 DEAB O=C(COC(=O)c1ccccc1O)NCCCc1ccccc1 3247227 MEDGTTTZBXFJLV-UHFFFAOYSA-N 313.353 2.298 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNS(=O)(=O)Cc2ccccc2)n1 56071796 JUGJWWVKEUFXPS-ZDUSSCGKSA-N 321.446 2.256 0 40 DEAB C[C@H](Cc1c(F)cccc1F)NC(=O)NC1CCC(O)CC1 57451591 DYRPZZMHXKNSHG-VOMCLLRMSA-N 312.360 2.499 0 40 DEAB CN1CC[C@@H](C(=O)N(C)[C@@H]2CCCc3ccccc32)CC1=O 44377451 QKWQBKQDNFOVDE-GDBMZVCRSA-N 300.402 2.391 0 40 DEAB Nc1nc2nc3c(c(-c4ccccc4)c2c(=O)[nH]1)C(=O)CCC3 20673600 KTZDTYLLTKJUEZ-UHFFFAOYSA-N 306.325 2.086 0 40 DEAB O=C1CN(Cc2ccccc2)[C@H](c2cccc3c2OCCCO3)N1 95395817 RDFIDWJWACOJEJ-LJQANCHMSA-N 324.380 2.479 0 40 DEAB C[C@H](NC(=O)Cc1cccs1)c1ccc2[nH]c(=O)[nH]c2c1 58267434 WLFXRMCRXUXTDD-VIFPVBQESA-N 301.371 2.338 0 40 DEAB COc1ccc(NC(=O)N(C)Cc2ccc3c(c2)OCO3)cn1 44950888 BPFQIJOFJUUCLK-UHFFFAOYSA-N 315.329 2.483 0 40 DEAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CS2)[C@@H]1CCCO1 27850304 FOGJFDIOBBWFLL-SKDRFNHKSA-N 306.387 2.028 0 40 DEAB O=C(NCCCn1cncn1)N1CCC[C@@H]1Cc1ccccc1 45646941 DBRTXVFHMGUAEF-MRXNPFEDSA-N 313.405 2.085 0 40 DEAB CC(=O)NCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 36759002 ZECZMZIJXKGOBK-UHFFFAOYSA-N 308.809 2.404 0 40 DEAB CCOc1cc(C(=O)N2CCC[C@H](n3cncn3)C2)ccc1C 72282064 VJKIMNFBUXMBDH-HNNXBMFYSA-N 314.389 2.463 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(Br)cc1 2626505 NILSDAVGEQTQIG-VIFPVBQESA-N 313.195 2.094 0 40 DEAB Cc1cc(C)n2nc(C(=O)NCc3ccc(Cl)cc3)nc2n1 3428331 GWYWSRPAWYJOIC-UHFFFAOYSA-N 315.764 2.325 0 40 DEAB CC(=O)N(C)c1nc(CN2CCC[C@@H](c3ccn[nH]3)C2)cs1 84671296 LLRYWVLCTZRCCK-GFCCVEGCSA-N 319.434 2.229 0 40 DEAB COc1ccc(/C=C/C(=O)NCCCn2ccnc2)cc1OC 13207694 MKMHONMCPOOHMB-FNORWQNLSA-N 315.373 2.120 0 40 DEAB CN(CCOC[C@H]1CCCO1)Cc1nc2ccccc2n1C 83243048 NPKOPSTYQSSTMZ-CQSZACIVSA-N 303.406 2.201 0 40 DEAB Cc1n[nH]c2c1[C@H](c1ccc(C(=O)O)cc1)SCC(=O)N2 21525133 AXXQHKNPESQZIY-LBPRGKRZSA-N 303.343 2.191 0 40 DEAB CCc1ccc(CN(C)C(=O)CSc2nnc(N)s2)cc1 14123136 WTMIJVVCVOZNFB-UHFFFAOYSA-N 322.459 2.433 0 40 DEAB Cc1ccc(C)n1-c1nnc(N2CCC[C@@H](C(=O)O)C2)s1 6750931 YJNSMIPYOKXYPX-LLVKDONJSA-N 306.391 2.247 0 40 DEAB Cn1c(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)n[nH]c1=S 66625368 QNJGCDFEDJFUDT-QWRGUYRKSA-N 306.366 2.037 0 40 DEAB O=C(CNC(=O)c1ccc(OCc2ccccc2)cc1)NC1CC1 6989964 MESGMJQRDHINDC-UHFFFAOYSA-N 324.380 2.274 0 40 DEAB Cc1cc(SCC(=O)Nc2cccc(F)c2)n2ncnc2n1 19854288 RCKAOAYYEJOFKG-UHFFFAOYSA-N 317.349 2.303 0 40 DEAB COc1ccc(NC(=O)NCCC2CCN(C)CC2)c(C)n1 96471160 UDNSSYAVANEZEV-UHFFFAOYSA-N 306.410 2.252 0 40 DEAB COc1cc(-c2ccccc2)ccc1[C@H]1NC(=O)[C@H]2COCCN12 97080236 OKSIFJDGDXHTII-AEFFLSMTSA-N 324.380 2.191 0 40 DEAB CCCN(C)C[C@@H]1CCN(C(=O)c2cnc3[nH]nc(C)c3c2)C1 81364585 YUZDYAFKNFQLGS-ZDUSSCGKSA-N 315.421 2.070 0 40 DEAB O=C([C@H](O)c1ccccc1)N1CC[C@@H](CN2CCCCC2)C1 81462219 LXASHGWFGXZARH-DOTOQJQBSA-N 302.418 2.054 0 40 DEAB Cc1cc(OCC(=O)N2CCC(C(=O)O)CC2)ccc1Cl 8026929 VIVDLEZWDNOVPA-UHFFFAOYSA-N 311.765 2.350 0 40 DEAB Cc1cccc2c(=O)n(CC(=O)N3CCC[C@H]3C(C)C)cnc12 71830006 GECGQEGEHUFWNH-HNNXBMFYSA-N 313.401 2.352 0 40 DEAB COc1cccc(C(N)=O)c1OCC(=O)Nc1ccccc1C 8394817 UVOLEJRJXVTVEC-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB Cc1ccc2c(CC(=O)NCCc3nncn3C)coc2c1C 71847029 FJDQOYOAPDYPPS-UHFFFAOYSA-N 312.373 2.080 0 40 DEAB Cc1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)cn1 71857624 RTWOIHTXMWDYNV-UHFFFAOYSA-N 323.274 2.062 0 40 DEAB O=c1nc(NC[C@H]2CCCO2)[nH]nc1Cc1ccc(Cl)cc1 17044899 VMHJKWOWJLSXOH-GFCCVEGCSA-N 320.780 2.000 0 40 DEAB Cc1[nH]nc(C(N)=O)c1NC(=O)c1cc2c(s1)CCCC2 71888281 YTRLVVPKRVFUKN-UHFFFAOYSA-N 304.375 2.010 0 40 DEAB CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(C(=O)OC)n1 69415755 OIFIZQYERJEGLZ-CYBMUJFWSA-N 321.421 2.109 0 40 DEAB CN(C)c1ncccc1CNC(=O)NCc1cc(F)ccc1F 69595777 WNUBSNFINHGQOH-UHFFFAOYSA-N 320.343 2.425 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)Sc2n[nH]c(=O)n2C2CC2)cc1 8503712 RWLPMHZEDLYRGS-SNVBAGLBSA-N 318.402 2.334 0 40 DEAB O=C(N[C@@H]1CCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)nc1 70522870 WGOLYBUDRFBARZ-DTWKUNHWSA-N 302.252 2.084 0 40 DEAB CCc1ccc([C@@H]2[C@@H](C(C)=O)C(=O)C[C@@](C)(O)[C@@H]2C(C)=O)cc1 20081543 KRBJNKWHYJLNPB-WJFTUGDTSA-N 316.397 2.467 0 40 DEAB Cc1ncsc1C(=O)NC[C@H](O)Cc1ccc(F)cc1F 97376620 OVPWGIQNLSJTOG-LLVKDONJSA-N 312.341 2.063 0 40 DEAB Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccco2)nc(O)n1 95441435 SAWAWVFZKJNIOO-UHFFFAOYSA-N 324.340 2.321 0 40 DEAB CC[C@@H](NC(=O)[C@@H]1CCCN1)c1nc(C(F)(F)F)cs1 72511901 QBPOZBYNJROAQB-SFYZADRCSA-N 307.341 2.481 0 40 DEAB Cc1c(C(=O)N2CCSCC2)c(=O)oc2cc(F)ccc12 95414670 HVGWTHQFJBSKDP-UHFFFAOYSA-N 307.346 2.430 0 40 DEAB CCOc1ccc(NC(=O)NC[C@@H]2COC(C)(C)O2)cc1F 84810506 HXBDXFULWSZCMP-LLVKDONJSA-N 312.341 2.497 0 40 DEAB COc1cccc([C@H](CO)NCc2ccc([S@@](C)=O)cc2)c1 85328982 UHECILDGPLPKEY-JTSKRJEESA-N 319.426 2.256 0 40 DEAB C(CN[C@@H]1CC[C@@H]2SCCS[C@H]21)COC[C@@H]1CCOC1 95985044 OGZXILHHUGCFJD-XGUBFFRZSA-N 317.520 2.399 0 40 DEAB CC(C)(C)c1ccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)nn1 95975309 HVUGQAFUKMUMTD-LLVKDONJSA-N 314.393 2.176 0 40 DEAB COCc1nc2n(n1)CCC[C@H]2Nc1nc(C2CC2)ns1 89420444 WWRKEPQZFYNXEY-SECBINFHSA-N 306.395 2.100 0 40 DEAB Cc1cnc(CNC(=O)NCCc2cn3c(n2)CCCC3)s1 76084764 JWQFBHAPKLEKGG-UHFFFAOYSA-N 319.434 2.026 0 40 DEAB CC(=O)NCC1CCN(C[C@H](O)c2cc(C)ccc2C)CC1 76082318 QHGMFAJYPZPJBQ-SFHVURJKSA-N 304.434 2.185 0 40 DEAB NC(=O)c1cn(Cc2nc(-c3ccco3)no2)c2ccccc12 556309853 XYOGVZNMBFZMQK-UHFFFAOYSA-N 308.297 2.432 0 40 DEAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCCN2C(C)C)c[nH]1 75503296 KTRUJCKDIJLWSM-AWEZNQCLSA-N 307.394 2.393 0 40 DEAB CC[C@@]1(C)CN(C(=O)Nc2ccc(-n3nccn3)cc2)CCO1 189767561 NXJLWWUBUCIEGI-INIZCTEOSA-N 315.377 2.300 0 40 DEAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1cncnc1 72346529 VHXAISAGVATETG-UHFFFAOYSA-N 311.341 2.405 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(N)nc2)cc1 72212371 STGIZCLJRDVWEI-OAHLLOKOSA-N 317.414 2.498 0 40 DEAB Cn1nccc1C(=O)NCCCn1ncc2c(Cl)cccc21 71196071 KQZWZHFZJGVSJV-UHFFFAOYSA-N 317.780 2.243 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cncn1C 72336970 KGFAVEDGRVSZFJ-DOMZBBRYSA-N 308.389 2.033 0 40 DEAB Fc1ccc(N2CCN(c3cc(-n4ccnc4)ncn3)CC2)cc1 607058645 XASAVQPSVVJAOO-UHFFFAOYSA-N 324.363 2.128 0 40 DEAB COC(=O)c1cccc(NC(=S)NCCCN(C)C)c1C 44663095 PWSPZWSLXLJVKW-UHFFFAOYSA-N 309.435 2.020 0 40 DEAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)[nH]1 223635436 XSGLORNRPHOFQZ-GJZGRUSLSA-N 316.430 2.073 0 40 DEAB CC(C)(C)OC(=O)NCC[C@@]1(C(=O)O)OCCc2ccccc21 225750479 HXLFCXBGMXJRGK-QGZVFWFLSA-N 321.373 2.454 0 40 DEAB Cc1ccc(-n2nnc(C(N)=O)c2-c2ccc3c(c2)OCO3)cc1 82237883 UEQVFVMOQRBVMF-UHFFFAOYSA-N 322.324 2.070 0 40 DEAB COc1ncnc(N)c1CNCc1csc(C(C)(C)C)n1 85308746 YETVMRHPSJOXHW-UHFFFAOYSA-N 307.423 2.111 0 40 DEAB Cc1ncsc1CN(C)C[C@H]1CCN(CCn2cccn2)C1 195258061 LGRXBCLWBOACCM-OAHLLOKOSA-N 319.478 2.102 0 40 DEAB CN(c1cccc(NC(=O)c2cccc(F)c2)c1)S(C)(=O)=O 224955523 KAWWGUFJMAAZRP-UHFFFAOYSA-N 322.361 2.474 0 40 DEAB O=C(CNc1ncnc2ccccc12)Nc1ccc2c(c1)OCO2 41504278 VHLPJPUUCYZTPQ-UHFFFAOYSA-N 322.324 2.409 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)c2ccccc2S1 88546885 FFRKOOZGWSBGIS-SNVBAGLBSA-N 309.416 2.110 0 40 DEAB Cc1ccccc1-n1ncc(C(=O)N[C@H](C)CC(=O)O)c1C 97228674 QCWGOMMKFQOUSG-LLVKDONJSA-N 301.346 2.082 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)c1ccon1 95449243 GUPOTSLAYOOCKM-VIFPVBQESA-N 309.728 2.476 0 40 DEAB C[C@@H]1CN(CC(=O)Nc2ccncc2)[C@H](c2ccccc2)CO1 96443593 INTKZBBYDXLRPW-PBHICJAKSA-N 311.385 2.482 0 40 DEAB CC(C)NC(=O)CCNC(=O)NCC(C)(C)c1cccc(F)c1 96411421 XIGKNNUFNFBJBH-UHFFFAOYSA-N 323.412 2.317 0 40 DEAB COc1ccc2oc(CN[C@H](C)CN3CCOC3=O)cc2c1 95448675 YZTHLDAFXXIHOS-LLVKDONJSA-N 304.346 2.372 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2cccc3ncccc23)c[nH]1 95474233 WBRFHNYBWSDETP-UHFFFAOYSA-N 309.325 2.249 0 40 DEAB Cc1ccc([C@@H]2CCCCCN2C[C@H](O)CN2CCOCC2)o1 96415756 WWNXSDQFHXHFJB-SJORKVTESA-N 322.449 2.198 0 40 DEAB CN(C)C[C@H]1CN(C(=O)CC2=CCCCC2)Cc2ccnn21 248137267 RXZZXYPXGRKMPH-INIZCTEOSA-N 302.422 2.219 0 40 DEAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cncc(-c3cn[nH]c3)n2)C1 257337003 YQYLMQZBNXJLKW-LBPRGKRZSA-N 313.405 2.304 0 40 DEAB O=C(CCCn1cc(COc2ccccc2)nn1)N1CCCC1 252478100 ADMHSBDCIHBKGB-UHFFFAOYSA-N 314.389 2.260 0 40 DEAB NC(=O)c1cccc(C(=O)NCC2(c3ccccc3)CCC2)n1 541938970 FXMJYYACIICGPT-UHFFFAOYSA-N 309.369 2.032 0 40 DEAB Cc1cn(C)c([C@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 257271367 MXZUQKHIBFZKRY-CQSZACIVSA-N 319.430 2.241 0 40 DEAB CCCCn1cc(CN2C[C@H](OC)[C@]3(CCCO3)C2)c(C)n1 257261208 LGEJRTFCGSNPJM-IRXDYDNUSA-N 307.438 2.371 0 40 DEAB C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O 261637963 DPPMAGNINDKTAE-AZHAFVHUSA-N 321.348 2.305 0 40 DEAB CN(C)CC(=O)Nc1ccc(NC(=O)/C=C/c2cccnc2)cc1 76091529 JTNRIICQTCNBMY-BJMVGYQFSA-N 324.384 2.234 0 40 DEAB CCS[C@H]1CCC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 75093927 QFMHVXDBZJMFTL-OLZOCXBDSA-N 323.462 2.191 0 40 DEAB CCn1cc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)cn1 75613086 QKSRDCPAVZUJIV-ZDUSSCGKSA-N 324.425 2.182 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1ccccn1 12154839 RXKUTPWADUDXEN-SWLSCSKDSA-N 319.368 2.335 0 40 DEAB CCc1nccn1C[C@@H](C)C(=O)N[C@H](C)CN1CCCCCC1 19523583 UFQKDAYYYGGMRY-HZPDHXFCSA-N 320.481 2.462 0 40 DEAB Cc1ncncc1C(=O)N1CCC([C@@H]2CCCCN2C)CC1 19746993 PXERLRFWFPWHFW-INIZCTEOSA-N 302.422 2.122 0 40 DEAB CCCCn1nc(C(=O)Nc2ccc3c(c2)OCO3)ccc1=O 11781551 MGGQEZLWPVBZMI-UHFFFAOYSA-N 315.329 2.024 0 40 DEAB COCCCN1CCC[C@@]2(CCCN(C(=O)c3cnco3)C2)C1 2056223557 RVGPOSQNSNZDFB-QGZVFWFLSA-N 321.421 2.029 0 40 DEAB CCN1C(=O)CC[C@]12CCCN(c1nc(C)cc(C)n1)CC2 1614946049 WPMJMHAEAJWAKJ-KRWDZBQOSA-N 302.422 2.465 0 40 DEAB C=COCCNC(=O)C(=O)Nc1ccc(OCCCCC)cc1 4412572 YPIXZKIZNPQNQX-UHFFFAOYSA-N 320.389 2.470 0 40 DEAB Cc1cc(Cn2cc(Cl)c(=O)[nH]c2=O)c2ccccc2n1 81274129 QMXJIAYPUXTPTL-UHFFFAOYSA-N 301.733 2.095 0 40 DEAB C[C@H](OCc1ccccc1)C(=O)Nc1n[nH]c(C(F)(F)F)n1 30604507 ZTFIWWILJFKZFA-QMMMGPOBSA-N 314.267 2.367 0 40 DEAB O=C(Nc1nncs1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 21213744 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CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC 4482394 DEKGENPPLZDYEL-CQSZACIVSA-N 304.346 2.276 0 40 DEAB COCC(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 13716692 OGFMEBSPPBELRG-UHFFFAOYSA-N 318.398 2.192 0 40 DEAB CCn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21 5686887 PLRMQBCZTPSWAM-UHFFFAOYSA-N 323.352 2.052 0 40 DEAB CCN1CCN(CCCNC(=O)Nc2cccc(C)c2)CC1 31097420 DCHZUKPIJXOECS-UHFFFAOYSA-N 304.438 2.144 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3CCC(=O)NC3)C2)cc1 50767929 OCYPWEHCBSCKJK-IRXDYDNUSA-N 314.429 2.302 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 40463032 HZAKRIKDONLKMS-ZKXNXJMVSA-N 314.307 2.359 0 40 DEAB O=C(O)/C=C/C(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 526158 BWBGMZWSRKOJRE-QRGHLMKCSA-N 300.270 2.191 0 40 DEAB COC[C@H](C)C(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 97048626 NHBONJXNHVUZSM-JTQLQIEISA-N 319.327 2.348 0 40 DEAB CC1CCN(C[C@H](C)OC(=O)[C@H]2COc3ccccc3O2)CC1 808192 RUYJYMWKKRHAKJ-WMLDXEAASA-N 319.401 2.490 0 40 DEAB CC[C@H](CO)NC(=O)NCc1ccc(N2CCCCCC2)nc1 47600028 QMVTVQMSUIREPJ-OAHLLOKOSA-N 320.437 2.032 0 40 DEAB O=C(O)[C@H](c1ccc(O)cc1)[C@@H](C(=O)O)c1ccc(O)cc1 1668812 NIMYOZMXBOTEAX-OKILXGFUSA-N 302.282 2.134 0 40 DEAB CN(C)C(=O)[C@H](c1ccccc1)[P@](=O)(O)c1ccccc1 1717459 NMPNJLWUXHFYNI-HNNXBMFYSA-N 303.298 2.412 0 40 DEAB COCCCNC(=O)[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 2713493 QTAJVXSIMNFEDY-CYBMUJFWSA-N 320.433 2.255 0 40 DEAB CCCCn1nnnc1COc1ccc(NC(=O)C2CC2)cc1 54245829 IYIAXDLEUXGLOJ-UHFFFAOYSA-N 315.377 2.401 0 40 DEAB CCCc1cc(C(=O)Nc2cccc(C(=O)NCC)c2)[nH]n1 12579467 YYVNTCITFATSGF-UHFFFAOYSA-N 300.362 2.364 0 40 DEAB Cc1cc(Br)ccc1CS(=O)(=O)C[C@H](C)CO 97046620 FKSQVXGDRKLMRW-SECBINFHSA-N 321.236 2.301 0 40 DEAB Cc1ccsc1/C=c1\s/c(=C/C(=O)C(C)(C)C)[nH]c1=O 105738857 QXLHVWWHQLMLMW-JKNYEHFOSA-N 307.440 2.031 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(OC(C)C)c1 56156989 ZMALDYGMPLGECW-CHWSQXEVSA-N 321.421 2.359 0 40 DEAB Cc1occc1C(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 56513127 KMVUQMVZFIGWGE-KRWDZBQOSA-N 314.385 2.079 0 40 DEAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)n1C 12534870 CTONIXMECXLLHS-SNVBAGLBSA-N 319.434 2.309 0 40 DEAB CCCn1cc(NC(=O)c2cccc(C(=O)OC)c2)ccc1=O 57144609 YSOCNEATSCXBRJ-UHFFFAOYSA-N 314.341 2.297 0 40 DEAB Cc1cc(N[C@H](C)CN2CCCC2=O)nc(-c2ccncc2)n1 57827742 XHEVYNSJDQFDEB-CYBMUJFWSA-N 311.389 2.270 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)CC3CCOCC3)C2)no1 72287073 SXDIPLLRUBRIGC-ZDUSSCGKSA-N 307.394 2.155 0 40 DEAB CCOc1ccc(CCC(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1 58265693 RPAHWFBCUSXNNL-ZDUSSCGKSA-N 320.433 2.437 0 40 DEAB Cc1c(CNC(=O)NCCNC(=O)C(C)C)oc2ccccc12 72286300 GPKRBXGBAQVWCJ-UHFFFAOYSA-N 317.389 2.313 0 40 DEAB O=C(NCCN1C(=O)CSC1=O)Nc1cccc(Cl)c1 12684807 BINVKJUYUPNZGV-UHFFFAOYSA-N 313.766 2.157 0 40 DEAB COc1ccccc1[C@@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1 28083345 RLGODUQASAZRGJ-CHWSQXEVSA-N 312.435 2.323 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Sc2nnnn2C2CCCC2)on1 11010634 HCUKUPVROLPQFK-SECBINFHSA-N 322.394 2.204 0 40 DEAB C[C@@H](Cn1cccn1)OC(=O)c1ccc(N2CCCC2)nc1 97141533 OJSJMBGUHCOFCM-ZDUSSCGKSA-N 300.362 2.124 0 40 DEAB Cc1nn(C)c2c1[C@H](c1ccc(C(=O)O)cc1)SCC(=O)N2 49545262 WJRSZTMXSZAXMT-ZDUSSCGKSA-N 317.370 2.201 0 40 DEAB c1cc(CN2CCO[C@@H](c3nccs3)C2)c2c(c1)OCCO2 97200095 LECWUMUGQDWPPJ-CQSZACIVSA-N 318.398 2.488 0 40 DEAB CC(C)CC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 13731044 FYBIRPXWUDBVGL-UHFFFAOYSA-N 313.401 2.498 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 5120146 OAVFAJTVWANEAU-LBPRGKRZSA-N 318.398 2.456 0 40 DEAB Cc1nc2n(c1C)CCN([C@H](C(=O)NC1CC1)c1ccccc1)C2 65473451 SKTAWNQEKCTFAQ-SFHVURJKSA-N 324.428 2.335 0 40 DEAB O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCCC1 14075960 SXEFNXARJMWRGO-UHFFFAOYSA-N 311.765 2.275 0 40 DEAB CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)NCC1CCC1 65551145 RJBDQWCYGKNSQV-UHFFFAOYSA-N 316.810 2.241 0 40 DEAB NC(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1F 65565060 ZVIIAZNCDDFNAH-CQSZACIVSA-N 319.311 2.183 0 40 DEAB CNC(=O)NC(=O)COc1ccc(Oc2ccccc2)cc1 6551638 VIHWKPJFMXPSAO-UHFFFAOYSA-N 300.314 2.313 0 40 DEAB Cc1c(C)n(-c2ccccc2)c2ncn(CCN(C)C)c(=N)c12 6662087 FJHQJSPBYGSFFK-UHFFFAOYSA-N 309.417 2.485 0 40 DEAB CCn1nc(C)c(CNC(=O)NCCc2ccc(C)nc2)c1C 71897783 LTEJZCGMTBZJAY-UHFFFAOYSA-N 315.421 2.265 0 40 DEAB CN(C(=O)Cn1cnc2ccsc2c1=O)C1CCCCC1 16331286 LZHGOORCHPSMSF-UHFFFAOYSA-N 305.403 2.249 0 40 DEAB COc1ccccc1CC(C)(C)NC(=O)CCc1cnn(C)c1 71847671 RIRBOAPEJLJFNZ-UHFFFAOYSA-N 315.417 2.499 0 40 DEAB CC(C)S(=O)(=O)c1ccc(CC(=O)N(C)CC(F)F)cc1 96500495 KRWSHYJDTIVVLT-UHFFFAOYSA-N 319.373 2.135 0 40 DEAB O=C(CCc1ccc(Cl)s1)NC[C@H](O)C1CCOCC1 71915012 SBUCIDMZGOUKBZ-LBPRGKRZSA-N 317.838 2.238 0 40 DEAB CC(C)n1c(S[C@@H](C)C(=O)N2CCCC2)nnc1N(C)C 69562601 CITQSVBLLPOLQK-NSHDSACASA-N 311.455 2.028 0 40 DEAB CCC(CC)(CNC(=O)c1ccc(OC)cc1OC)C(=O)O 95432841 QQRKZUFDYMCRQF-UHFFFAOYSA-N 309.362 2.325 0 40 DEAB COC(=O)c1ccc(Cn2nc(-c3cccs3)oc2=O)cc1 8876439 XNVHNXQDOZFNPG-UHFFFAOYSA-N 316.338 2.400 0 40 DEAB Cc1cc(NC(=O)[C@@H](CC(C)C)N2CCCCC2=O)nnc1C 87297364 OTZZXQJPKBBXFD-CQSZACIVSA-N 318.421 2.459 0 40 DEAB O=C(NC[C@@H]1CCCC[C@@H]1O)c1c[nH]nc1-c1ccccc1F 87387242 BCYNKQLCZGYSSX-NHYWBVRUSA-N 317.364 2.497 0 40 DEAB c1cc(N2CCCC2)nc(N2CCC(CN3CCCC3)CC2)n1 95961953 QLLQJINNPJZCBP-UHFFFAOYSA-N 315.465 2.389 0 40 DEAB O[C@@]1(CN[C@@H](Cc2ccncc2)C(F)(F)F)CCSC1 95968899 PKSGOSMYMVRSSZ-NWDGAFQWSA-N 306.353 2.013 0 40 DEAB CC(=O)Nc1cccc(CN2CCN(c3ccncc3)CC2)c1 89265557 PDJANTUIIHSZME-UHFFFAOYSA-N 310.401 2.362 0 40 DEAB Cc1nn(C)c(C)c1C[C@@H](C)C(=O)Nc1ccc2[nH]nnc2c1 89505756 LHYSNJNSGGSPHN-SECBINFHSA-N 312.377 2.126 0 40 DEAB Cc1cc(N[C@H]2CCN(C3CC3)C2=O)nc(-c2ccccn2)n1 89600705 BVRUAPVFXADLLY-AWEZNQCLSA-N 309.373 2.022 0 40 DEAB CC(=O)N1CC[C@H](C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)C1 89802153 IPXJKVPZCQFJNK-HOCLYGCPSA-N 315.417 2.338 0 40 DEAB Cc1cc(C(=O)NCC(=O)Nc2cccc3[nH]cnc23)c(C)o1 76083618 CCLKWQWTHSIJJJ-UHFFFAOYSA-N 312.329 2.141 0 40 DEAB O=C(NC1CCN(CC2=CCCCC2)CC1)c1cccc(O)n1 1002536154 XSYKQYURMSKXHU-UHFFFAOYSA-N 315.417 2.482 0 40 DEAB O=C(C1CCC1)N1CC2(C1)OCC[C@H]2COCc1ccncc1 306129866 IPEZRGHJIRQEEA-INIZCTEOSA-N 316.401 2.016 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCC2)nn1 75172537 FWLZDLWNONMGFF-UHFFFAOYSA-N 312.329 2.058 0 40 DEAB CC(=O)N[C@H](C)C(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 79044260 XYGVKPJVNYVFDW-SNVBAGLBSA-N 315.377 2.058 0 40 DEAB C[C@@H](C(=O)N1CCCSCC1)N1CCc2ccccc2C1 78926970 WPHFQNMCVXKVPG-AWEZNQCLSA-N 304.459 2.399 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)/C=C/c1ccc(F)cc1 79052254 RHKUHCQJHRKDON-RMKNXTFCSA-N 313.394 2.168 0 40 DEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCC2)c2ccc(F)cc21 36364992 CWWZIHFKLQMWLL-HNNXBMFYSA-N 320.320 2.087 0 40 DEAB COC[C@H](O)CN1CCN([C@H](C)c2ccc(Cl)cc2)CC1 75863411 MMAYZFQMOKUUGN-CZUORRHYSA-N 312.841 2.026 0 40 DEAB Cc1cc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)no1 77613587 GDWZRGAQOXPHBV-GFCCVEGCSA-N 314.263 2.465 0 40 DEAB COP(=O)(OC)c1nc(/C=C/c2ccccc2)oc1NN 34633382 ZDQKMPYDUPWIPQ-CMDGGOBGSA-N 309.262 2.242 0 40 DEAB CCNC(=S)Nc1cc(C(=O)O)ccc1Br 216928625 FKCWQHJBCUUEQA-UHFFFAOYSA-N 303.181 2.454 0 40 DEAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Nc1nnc[nH]1 72414444 JELQWTUSHVEWKO-UHFFFAOYSA-N 307.162 2.221 0 40 DEAB CCC(=O)NC(=S)Nc1ccc(N)cc1Br 226237989 IKVDQPZWLWJCEE-UHFFFAOYSA-N 302.197 2.254 0 40 DEAB CC(C)OCCCNC(=O)Nc1ccc(S(C)(=O)=O)cc1 40526567 LYWJCPZZQZLUTE-UHFFFAOYSA-N 314.407 2.027 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccccc1 43920196 BVKQROOXNDXZMB-NSHDSACASA-N 307.346 2.326 0 40 DEAB CC1(C)CCc2c(OCc3nnc4n3CCOC4)cccc2O1 571013213 ADLRFZXFXFCXKA-UHFFFAOYSA-N 315.373 2.491 0 40 DEAB O=C(NCCSc1ncn[nH]1)c1cccc(C(F)(F)F)c1 222963576 SXUSXIOJSSDMHR-UHFFFAOYSA-N 316.308 2.346 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@@H](C)n1nc(C)cc1C 195537728 AJCNHTAUCWLCBP-RBSFLKMASA-N 321.421 2.299 0 40 DEAB CC(=O)N(C)c1ccc(S(=O)(=O)NCc2ccccc2)cc1 96658834 PQFDGDQDRJXJEU-UHFFFAOYSA-N 318.398 2.148 0 40 DEAB O=C([C@H]1C[C@@H]2CN(Cc3ccc(F)cc3)C[C@H]1O2)N1CCCC1 96253165 JHVWUGYGTZUCFO-IXDOHACOSA-N 318.392 2.037 0 40 DEAB O=S(=O)(Nc1nncn1Cc1ccccc1)c1cccs1 96410845 PSPNMTRYPDKMCA-UHFFFAOYSA-N 320.399 2.189 0 40 DEAB Cc1ccccc1NC(=O)N1C[C@@H]2CN(CC3CC3)C[C@H](C1)O2 96252597 HYOCBHICHLEADN-IYBDPMFKSA-N 315.417 2.322 0 40 DEAB CCOC[C@H]1CN(C(=O)c2cccs2)Cc2cnn(C)c21 96060091 ZMGFDPPNAPIIQX-GFCCVEGCSA-N 305.403 2.258 0 40 DEAB CCc1noc(CN2CC[C@@H](CNc3cccc(C)n3)C2)n1 97200924 JOMWVOKCUOUTQH-ZDUSSCGKSA-N 301.394 2.269 0 40 DEAB O=C(NC1CC1)N1CC[C@H](OCC2CC2)[C@@H]1Cc1cccnc1 96200564 YABVJHHLGVUGKS-IRXDYDNUSA-N 315.417 2.366 0 40 DEAB Cc1nnsc1C(=O)NCCn1ccc(-c2cccs2)n1 96103807 ZBMNRHINCBNUAR-UHFFFAOYSA-N 319.415 2.202 0 40 DEAB CC(C)CN1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 96077196 HUKJRSACPGCYRR-UHFFFAOYSA-N 315.461 2.109 0 40 DEAB N=C1O[C@@H]2CSC[C@H]2N1C(=O)Cc1c(F)cccc1Cl 257333249 YAVJKYITSFGJSS-GHMZBOCLSA-N 314.769 2.299 0 40 DEAB CNC(=O)c1ccc(C)c(NC(=O)CC(C)(C)CC(=O)O)c1 27056624 PMZYSFSZTRABAD-UHFFFAOYSA-N 306.362 2.184 0 40 DEAB CCN(CC)S(=O)(=O)NCc1ccc2[nH]c(C)c(C)c2c1 65011740 GRVUTQFONUZHEI-UHFFFAOYSA-N 309.435 2.461 0 40 DEAB Cn1cnnc1CNC(=O)Nc1ccc(Cl)c(Cl)c1 28988884 WPIWPVIJWHXUKK-UHFFFAOYSA-N 300.149 2.444 0 40 DEAB Cc1nscc1C(=O)N1CCC(c2cc(C(=O)O)on2)CC1 1548598464 ZSHLGVVEPBEWRY-UHFFFAOYSA-N 321.358 2.158 0 40 DEAB Cc1nsc(N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)n1 1776008280 BOWWFEWUNAYPOW-GJZGRUSLSA-N 300.431 2.415 0 40 DEAB Cc1ncnc(N2CCN(c3nc4ccccc4o3)CC2)c1F 1776008421 DPZVXKCPJVZDKZ-UHFFFAOYSA-N 313.336 2.392 0 40 DEAB Cc1ccc(OC[C@H](O)CN2CCC[C@H](N3CCCC3)C2)cc1 59386602 ADFCPVAAJCASAK-ZWKOTPCHSA-N 318.461 2.295 0 40 DEAB O=C(Nc1ccccn1)N1CCC[C@@H](c2nncn2C2CC2)C1 91627340 XFIDETZVMFHPAX-GFCCVEGCSA-N 312.377 2.420 0 40 DEAB COC(=O)C1=C(C)NC(=S)N[C@H]1/C=C/c1ccccc1OC 572265 PSTJCYSTALZVGX-BCPZQOPPSA-N 318.398 2.002 0 40 DEAB Cc1ccc2cccc(NS(=O)(=O)c3cn(C)nc3C)c2n1 12117114 NSTBYXAYPXHTRX-UHFFFAOYSA-N 316.386 2.386 0 40 DEAB Cc1ccn(CCNC(=O)Cn2c3c(c4ccccc42)CCC3)n1 12148532 QLNQUZFKHSZYNQ-UHFFFAOYSA-N 322.412 2.451 0 40 DEAB O=c1oc2ccccc2n1[C@@H]1CCCN(CCN2CCCC2)C1 19376626 NGGNYGZRYIDYCM-OAHLLOKOSA-N 315.417 2.327 0 40 DEAB CCN(C)[C@@H]1CN(C(=O)c2cnn(C)c2)C2(CCCCC2)C1 19704848 AGFGZXGZVWZYJX-HNNXBMFYSA-N 304.438 2.289 0 40 DEAB Cc1cc(Br)cc(C(=O)OCCCC(N)=O)c1 156054902 RPKNETHDHDZBPN-UHFFFAOYSA-N 300.152 2.180 0 40 DEAB Cc1sc(C(=O)O)cc1CN1CCC[C@H](n2cncn2)C1 569251178 JQJZDRHFOGKVFV-LBPRGKRZSA-N 306.391 2.183 0 40 DEAB O=C1NCCC[C@H]1N1CCC(COc2ccncc2Cl)CC1 1848728262 GGAOXVBOFJKVAE-CQSZACIVSA-N 323.824 2.104 0 40 DEAB CCOCc1cncc2c1CCN(C(=O)CCc1ccc[nH]1)C2 1565552408 RZJAILYMKYPUEK-UHFFFAOYSA-N 313.401 2.464 0 40 DEAB COc1ccc(NC(=O)c2cnc3ccc(C)cn3c2=O)cc1 9830067 FRTNFKQRMNAOEM-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB Cc1cc(NC(=O)C(=O)NCc2cccnc2)c2ccccc2n1 10327174 DKMSQGKMMOOSIH-UHFFFAOYSA-N 320.352 2.193 0 40 DEAB COCCN1CCC[C@]12CCCN(C(=O)c1cc[nH]c1)CC2 2055845208 GWWULLHNGWVNJE-KRWDZBQOSA-N 305.422 2.122 0 40 DEAB c1ccc2c(N3CC[C@H](COc4cnccn4)C3)ncnc2c1 2298222292 MJUZFXGLFYOJKJ-ZDUSSCGKSA-N 307.357 2.325 0 40 DEAB CCC[C@H](C)N(C)CC(=O)NC(=O)NCCc1cccs1 30270060 MJNLLGLSARAEGE-LBPRGKRZSA-N 311.451 2.237 0 40 DEAB CCN(CC(C)C)C(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 31377319 FBLWAOFHQGCFDZ-UHFFFAOYSA-N 324.446 2.127 0 40 DEAB COc1ccc(N[C@@H]2CCCCNC2=O)cc1OC(F)F 40490284 PSBVCABYYPTZDF-SNVBAGLBSA-N 300.305 2.377 0 40 DEAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)o1 40511321 HJQKBIPHELGEBF-NSHDSACASA-N 322.386 2.035 0 40 DEAB Cc1ccc(N2C[C@H](C(=O)OCc3cc(C)no3)CC2=O)cc1 32391626 RMKOSXWPLGRTRI-CYBMUJFWSA-N 314.341 2.388 0 40 DEAB CC1(C)NC(=O)N(CCN(Cc2cccc(F)c2)C2CC2)C1=O 52161769 HFINVLIUSFRMPP-UHFFFAOYSA-N 319.380 2.121 0 40 DEAB Nn1c(SCc2cccc(F)c2)nnc1-c1ccncc1 526915 GTAFHHZGFFJQEZ-UHFFFAOYSA-N 301.350 2.485 0 40 DEAB CC(C)(O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 70940329 KSGCQCQLZFTHSY-UHFFFAOYSA-N 314.788 2.008 0 40 DEAB O=C(N[C@H]1CCc2c(O)cccc21)c1ccc(N2CCCC2)nn1 78646455 YDBJDMYHUPYHQS-AWEZNQCLSA-N 324.384 2.200 0 40 DEAB COC(=O)[C@@H](C)NCc1ccc(OC)c(Br)c1 42223450 WUOOCILDGICNLC-MRVPVSSYSA-N 302.168 2.109 0 40 DEAB CCOc1ccc(NC(=O)COC(=O)c2ccccn2)cc1 807350 HLIRCZDGDXFGKA-UHFFFAOYSA-N 300.314 2.276 0 40 DEAB Nc1ncccc1C(=O)OCC(=O)Nc1ccccc1Cl 24601480 VFYXCCBFWRKCAM-UHFFFAOYSA-N 305.721 2.113 0 40 DEAB CCNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2N(C)C)C1 84790989 GZNPBNIOFFPTQO-ZDUSSCGKSA-N 318.421 2.133 0 40 DEAB COc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1 84714888 PQCJAFHPGVNZHI-DYVFJYSZSA-N 302.418 2.432 0 40 DEAB O=C(NCc1nnc2ccccn12)N1CCC[C@@H]1c1ccccn1 56557856 OOCVDEDEYFNLMG-CQSZACIVSA-N 322.372 2.171 0 40 DEAB O=C(NCCc1ccccc1)NCc1cccnc1-n1ccnc1 26388591 BSRBOPRSDUQCTH-UHFFFAOYSA-N 321.384 2.309 0 40 DEAB COC(=O)c1cc(F)c(F)cc1NCc1cccc(C(N)=O)c1 95410982 PTHGPJOFWYVINN-UHFFFAOYSA-N 320.295 2.462 0 40 DEAB O=C(NCCc1cccs1)[C@H]1CC(=O)N(Cc2ccco2)C1 27389688 OIPPVXUHHTVZTP-LBPRGKRZSA-N 318.398 2.049 0 40 DEAB CCN1C[C@@H](CN(C)Cc2nnc(C)o2)Oc2ccccc21 48260934 MYMTVLWWSZMUJQ-CYBMUJFWSA-N 302.378 2.097 0 40 DEAB C[C@@H](Sc1nc2ncccn2n1)C(=O)N1CCCCCC1 10078228 WKSCQYBRQIGIHT-LLVKDONJSA-N 305.407 2.008 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 44869026 DGQDSAMNJAYMBZ-CQSZACIVSA-N 319.357 2.018 0 40 DEAB CC(C)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCc2ccccc2C1 58281555 MGSOMCFDFFIAIO-IRXDYDNUSA-N 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YPOJXJCIPUYPQY-UHFFFAOYSA-N 322.459 2.488 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCc1cccnc1-c1cccnc1 238885840 PZMPWQATYCKPCO-UHFFFAOYSA-N 321.384 2.424 0 40 DEAB O=C1C[C@@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]21 100038909 LLBBWARKCUMGMJ-VJUNAUMWSA-N 318.332 2.041 0 40 DEAB CCOc1ccc(-n2ccn3c(C(F)(F)F)nnc3c2=O)cc1 2087000768 YEBCEKULKAEISH-UHFFFAOYSA-N 324.262 2.298 0 40 DEAB COCCN1C[C@@H]2[C@H](CCN2C(=O)c2cc(C)cc(C)c2)C1 1565542008 AMTCEUCMVYYSJS-NVXWUHKLSA-N 302.418 2.096 0 40 DEAB O=c1cc(NCc2ccco2)[nH]c(=O)n1-c1ccc(Cl)cc1 252499 ZFNYBCIUHFWVEX-UHFFFAOYSA-N 317.732 2.384 0 40 DEAB Cc1nn(Cc2ccccn2)c(=O)c2c1cnn2-c1ccccc1 12228053 FMDUQAMIJNWULN-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB CNS(=O)(=O)Cc1ccccc1CNCc1ccc(F)cc1 40059768 CPVBODLLORSYKV-UHFFFAOYSA-N 322.405 2.165 0 40 DEAB C[C@H](OC(=O)c1cccc2c1O[C@@H](C)[C@H]2C)C(=O)NC1CC1 32829380 TYOCYSHXICTDDP-VWYCJHECSA-N 303.358 2.395 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)NC[C@H]3CCOC3)n2)cc1 41371926 PNHQOHGAYXHVJO-CYBMUJFWSA-N 315.373 2.130 0 40 DEAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCO[C@H]2CCC[C@H]21 53382947 CHOMLOVTDJSWGU-SJORKVTESA-N 311.385 2.195 0 40 DEAB CN(C(=O)CCN1C(=O)c2ccccc2C1=O)C1CCCCC1 63685 AWJSUSSSVGZCGJ-UHFFFAOYSA-N 314.385 2.464 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)Cc1cccc(Cl)c1 47001805 VYTXUOKDFVKSHW-NHYWBVRUSA-N 308.809 2.398 0 40 DEAB O=C(NCc1ccccc1)N[C@@H]1OC(=O)C(Cl)=C1Cl 365902 QHZVMKJIDSFRHU-SNVBAGLBSA-N 301.129 2.058 0 40 DEAB COc1ccc(CNC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1OC 53752182 YRPMQVSHJREHMK-KBPBESRZSA-N 320.389 2.167 0 40 DEAB CCN(CCN1C(=O)NC(C)(C)C1=O)Cc1ccccc1Cl 42157432 LMKFCJBEKGPOFJ-UHFFFAOYSA-N 323.824 2.492 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cscn1 78828427 NCRNUCOLUUYCGG-CYBMUJFWSA-N 301.415 2.490 0 40 DEAB CC(C)c1ocnc1C(=O)NCCc1ccc(C(=O)O)cc1 78814659 QHEUZZKRCDMRLP-UHFFFAOYSA-N 302.330 2.469 0 40 DEAB Cc1ccc(C)c([C@@H](C)NC(=O)NC[C@H](O)c2cnn(C)c2)c1 78939766 OCOHQEZOZHOTMA-CJNGLKHVSA-N 316.405 2.131 0 40 DEAB Cc1cc2occ(CC(=O)N3CCNC(=O)C3)c2cc1C(C)C 23418798 CNQXDSXTSBQGJW-UHFFFAOYSA-N 314.385 2.366 0 40 DEAB CCCNC(=O)CSc1nnc(C)n1-c1ccc(F)cc1 6629625 TXNFXSPWGPBUHX-UHFFFAOYSA-N 308.382 2.333 0 40 DEAB CC(=O)NCCNC(=O)N[C@H](c1cccs1)C1CCCC1 47822911 HUIZCTXNEVJINP-AWEZNQCLSA-N 309.435 2.415 0 40 DEAB CC(=O)Nc1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1F 24459102 RLLLWSUBRAJNLF-UHFFFAOYSA-N 313.292 2.308 0 40 DEAB CC[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1noc(C)n1 72309278 DBIFOBLPOXWWJK-ZDUSSCGKSA-N 302.334 2.218 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(Cc3nc(CC(C)C)no3)[C@H]2C1 95438018 ZVKHKHCQRRNFLC-HZSPNIEDSA-N 309.410 2.036 0 40 DEAB Cc1nn(C)c(C)c1CCNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 106747739 OACMVDMBVGZEAU-KCQAQPDRSA-N 306.479 2.232 0 40 DEAB CN(Cc1sccc1Br)[C@H]1CCS(=O)(=O)C1 43503112 JZQISMNWAKUORK-QMMMGPOBSA-N 324.265 2.130 0 40 DEAB NC(=O)[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 26224407 ZPVZXMSWZURCKS-KRWDZBQOSA-N 309.369 2.452 0 40 DEAB CCOC(=O)[C@H]1CCCN(c2ncc(Br)cn2)C1 35324731 SBXDIRPDDDHGOY-VIFPVBQESA-N 314.183 2.019 0 40 DEAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3F)ccc21 58190600 YPHXNYYQESEVBK-UHFFFAOYSA-N 317.295 2.408 0 40 DEAB COCCNC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1 48100608 YRDCIXNUIKKIJY-ZDUSSCGKSA-N 319.405 2.469 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)c1ccc2cc[nH]c2c1 58292809 VSFWCJVOLMWEEJ-UHFFFAOYSA-N 303.362 2.422 0 40 DEAB O=C(c1n[nH]c2c1CCC2)N(Cc1ccco1)C[C@H]1CCCO1 95429528 RDUVNJKRCNCSFE-CYBMUJFWSA-N 315.373 2.313 0 40 DEAB c1cn2cnnc2c(N2CCC[C@@H](CN3CCCCCC3)C2)n1 95408827 KGGSYBIXVBXQDV-HNNXBMFYSA-N 314.437 2.217 0 40 DEAB O=S(=O)(Cc1nc(C2CC2)no1)c1cc(F)ccc1F 44947458 WCHXYTOTYIHYTI-UHFFFAOYSA-N 300.286 2.199 0 40 DEAB Cc1ccc(Cn2cccc(NC(=O)[C@@H]3CCCO3)c2=O)cc1 95436466 NGWTYVPOVNTMSM-INIZCTEOSA-N 312.369 2.323 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccon2)c(F)cc1F 95461649 ZTJGFBMPTAYCNQ-QMMMGPOBSA-N 302.302 2.301 0 40 DEAB O=C(c1cccc(F)c1)N1CCC(CN2CCOCC2)CC1 36103388 SXAXSAMEXRGNPH-UHFFFAOYSA-N 306.381 2.010 0 40 DEAB C[C@H](NC(=O)CCCn1c(=O)oc2ccccc21)[C@@H]1CCCO1 27859062 QOTVDPNAFCGHIP-JSGCOSHPSA-N 318.373 2.058 0 40 DEAB COCCNC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C 58443300 WMYPFXMXMHFNRH-UHFFFAOYSA-N 310.350 2.028 0 40 DEAB CC(=O)CC(=O)CSc1nc2ccccc2c2nc(C)nn12 100072407 FJSSLJJPSXXCEE-UHFFFAOYSA-N 314.370 2.226 0 40 DEAB O=C(NCc1cn2ccccc2n1)c1cc(=O)[nH]c2ccccc12 28833838 LJMIZWBWFWBCPO-UHFFFAOYSA-N 318.336 2.106 0 40 DEAB CC(C)[C@H](CNC(=O)c1ccc(Cl)s1)N1CCOCC1 48324494 WUBDLPCIKWUYKZ-NSHDSACASA-N 316.854 2.488 0 40 DEAB O=S(=O)(C[C@H]1CCCCO1)c1ccc2c(c1)OCCCO2 177518285 GZHGYSRJOZIHEY-GFCCVEGCSA-N 312.387 2.191 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)Cn1c(=O)n(C)c2ccccc21 12919854 ONNRVRDUPIFWSW-QWHCGFSZSA-N 301.390 2.035 0 40 DEAB CSc1nc(NC[C@@H](C)O)c2c3c(sc2n1)CN(C)CC3 20358159 KOZJCYCTYURWJP-MRVPVSSYSA-N 324.475 2.194 0 40 DEAB COc1cc([C@@H]2CNCc3cc(O)c(OC)cc32)ccc1O 24717559 DBYFOBQHECKLQR-ZDUSSCGKSA-N 301.342 2.350 0 40 DEAB O=C(COC(=O)[C@H]1C[C@@H]1c1ccco1)Nc1ccc(O)cc1 84432310 ZRLFGLLNKDNJSE-STQMWFEESA-N 301.298 2.271 0 40 DEAB CCOC(=O)c1cn(CC(=O)Nc2cccc(Cl)c2C)nn1 5026072 TVCURANEQJNIPI-UHFFFAOYSA-N 322.752 2.055 0 40 DEAB CC(C)c1ccccc1OCC(=O)Nc1ncc(C(N)=O)s1 14140323 DWUFDZVWNSQBQV-UHFFFAOYSA-N 319.386 2.383 0 40 DEAB Cc1nc(-c2cccc(NC(=O)Cn3cnc(C#N)n3)c2)cs1 14143959 WTXFJEGGTMRYIP-UHFFFAOYSA-N 324.369 2.220 0 40 DEAB Cc1ccc(C(=O)NCC(=O)NCc2ccccc2F)s1 6509518 PSUHIELBQSGFSH-UHFFFAOYSA-N 306.362 2.242 0 40 DEAB Cc1nc(NC(=O)Cn2c(=O)n(C)c3ccccc32)sc1C 14806595 KDMVBVWSSWTOIP-UHFFFAOYSA-N 316.386 2.052 0 40 DEAB CC(=O)N1CC(Nc2ccc(OC(F)(F)F)cc2)=CC1=O 96336081 OCINPTWXAIUVQY-UHFFFAOYSA-N 300.236 2.270 0 40 DEAB C[C@@H](CC(=O)c1ccccc1)NS(=O)(=O)N1CCC[C@@H](C)C1 84697561 PVMJDLPCZOQIHZ-KGLIPLIRSA-N 324.446 2.214 0 40 DEAB Cc1cc(N)nc(SCC(=O)Nc2cc(F)ccc2F)n1 7048420 QCXCKKAPWKYGPL-UHFFFAOYSA-N 310.329 2.376 0 40 DEAB O=C1CC[C@H](C(=O)N[C@@H](COc2ccccc2)c2ccccc2)N1 71886482 YWNZYQSUEYVLMI-SJORKVTESA-N 324.380 2.202 0 40 DEAB C[C@@H](NC(=O)CN1CSCC1=O)C12CC3CC(CC(C3)C1)C2 7265253 KNIUSFQSPAUTMM-SFCYXTAJSA-N 322.474 2.240 0 40 DEAB c1ccc([C@@H](Cn2ccnc2)Nc2ncnc3c2CCNC3)cc1 67872864 YBQQXOARRUKMDC-QGZVFWFLSA-N 320.400 2.172 0 40 DEAB Cc1nc(CN(C)Cc2nc([C@@H](C)OCC(C)C)no2)no1 80645064 MITGCNPZHKHPMX-SNVBAGLBSA-N 309.370 2.127 0 40 DEAB Cc1ccc(C(=O)N2CCCC[C@H]2CNC(N)=O)cc1Cl 71847496 PNHGKDJTHLJKQI-LBPRGKRZSA-N 309.797 2.311 0 40 DEAB CO[C@@H](C)C(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 71896680 JXTQMYWGGVFECP-NWDGAFQWSA-N 312.360 2.080 0 40 DEAB O=S(=O)(Oc1ccc(-n2cccn2)cc1)c1cccnc1 71915779 CVJIJXXOWCQPKX-UHFFFAOYSA-N 301.327 2.035 0 40 DEAB Cc1nnc([C@H](NC(=O)Nc2ccccn2)c2ccccc2)n1C 69219724 MNERISARNYUSGS-OAHLLOKOSA-N 322.372 2.430 0 40 DEAB COc1cccc(N2C[C@H](C(=O)N3CCC(C)CC3)CC2=O)c1 8247568 OVMGPSDDYYMIDG-CQSZACIVSA-N 316.401 2.307 0 40 DEAB Cc1cc(C(=O)N(C)CC(N)=O)sc1-c1ccc(F)cc1 69518801 LMVVLOCRXBLYAO-UHFFFAOYSA-N 306.362 2.420 0 40 DEAB c1nc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)cs1 69536540 YUKXMIFCGVPUNR-LBPRGKRZSA-N 319.434 2.158 0 40 DEAB O=C1NCCN1C1CCN(c2ccnc(-c3ccccc3)n2)CC1 69511366 QLNRHRUQKNKKOO-UHFFFAOYSA-N 323.400 2.138 0 40 DEAB Cc1ccccc1C1(CNC(=O)CN(C)c2cnccn2)CC1 69536177 BURXSRJNWNWQJT-UHFFFAOYSA-N 310.401 2.069 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCCc3ccccc32)C1 69520612 ROWARTGGLSLVOU-GOEBONIOSA-N 315.417 2.361 0 40 DEAB Cc1nn(C)c2ncc(CNCCc3cn4c(n3)CCCC4)cc12 97880494 FELCAXRSDNDSCN-UHFFFAOYSA-N 324.432 2.142 0 40 DEAB CC(C)OC[C@@H](O)CN(C)CCOc1cccc(Cl)c1 96967991 RACJWOLYXFXWFL-AWEZNQCLSA-N 301.814 2.437 0 40 DEAB CN(C(=O)/C=C/c1ccc(C(N)=O)cc1)C1Cc2ccccc2C1 95406159 RECHTYJVWLBQAR-DHZHZOJOSA-N 320.392 2.425 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccncc1Cl 97010703 HEUVUSIICSYDDM-UHFFFAOYSA-N 318.760 2.479 0 40 DEAB Cc1ccc(CCNC(=O)NCCCc2nc(C)no2)cc1 72286641 RHCYHCGMWVNHPI-UHFFFAOYSA-N 302.378 2.161 0 40 DEAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1nccn2ccnc12 98020547 BTGVBZAAQWCIRS-CYBMUJFWSA-N 314.389 2.341 0 40 DEAB Cn1cc([C@]2(C)CN(C(=O)Nc3ccccc3F)CCO2)cn1 98019389 XXTCVCUHPMLWNP-INIZCTEOSA-N 318.352 2.339 0 40 DEAB CN(C)CCN(Cc1ccco1)C(=O)[C@@H]1COc2ccccc21 88229988 AEMGABBRBIESCJ-MRXNPFEDSA-N 314.385 2.346 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C 95954045 JCZXCFAHPTXOKO-AWEZNQCLSA-N 305.353 2.463 0 40 DEAB Cc1cc(C(=O)NC[C@@H](C)CO)c(C)cc1Br 95982695 FFUXGBDZMSVHPY-MRVPVSSYSA-N 300.196 2.424 0 40 DEAB CCC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nnn[nH]1 89949615 LLOREZDGPADJPP-JTQLQIEISA-N 315.711 2.403 0 40 DEAB COCCn1cc(C(=O)N2CCN(C)C[C@H]2C)c2ccccc21 89938750 XYFOWAJWVLHPEH-CQSZACIVSA-N 315.417 2.064 0 40 DEAB CC[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CC2)C1)c1cccs1 89947947 UMPIRJMXXVGCNL-CMPLNLGQSA-N 307.419 2.262 0 40 DEAB CC[C@@](C)(NC(=O)Cn1c(C2CC2)nc2ccccc21)C(=O)O 89941979 WGTWAMLSMQSVHB-QGZVFWFLSA-N 315.373 2.283 0 40 DEAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1cccc(F)c1 76057037 MHCRWNOFJBASTJ-XUJVJEKNSA-N 314.426 2.146 0 40 DEAB CC1=NN(C(=O)[C@@H](O)c2ccccc2)[C@](O)(c2ccccc2)C1 408563644 QVZRZQIWRVJTRG-FUHWJXTLSA-N 310.353 2.174 0 40 DEAB O=C(Cc1ccc(Br)cc1)NCCn1cccn1 32610935 VITHTHHNICFMKM-UHFFFAOYSA-N 308.179 2.005 0 40 DEAB COc1ccc(C(=O)NCCn2cccc2)cc1-n1cccn1 524733538 UYLDAGBFGOUJJX-UHFFFAOYSA-N 310.357 2.112 0 40 DEAB Cc1cccc([C@H]2CCCN(S(=O)(=O)c3cccnc3)C2)n1 72364432 JMQHBZHOINVYTM-AWEZNQCLSA-N 317.414 2.353 0 40 DEAB CCCNC(=O)[C@@H](C)Sc1nccn1Cc1ccccn1 79037973 PGOJSYDPOIZJGT-GFCCVEGCSA-N 304.419 2.333 0 40 DEAB O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1CCCS1(=O)=O 78411004 QKMZDXDUXKHCIV-NSHDSACASA-N 321.320 2.285 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 39976095 VYKQYLWZZKWARO-YGRLFVJLSA-N 310.344 2.390 0 40 DEAB COCCn1ccc2cc(NC(=O)N[C@@H](C)[C@H](C)CO)ccc21 77702219 OCFVBINAFHOUGL-OLZOCXBDSA-N 319.405 2.426 0 40 DEAB CCOc1cc(/C=C/C(=O)NC[C@@H]2CCCO2)ccc1OC 41778874 YLTCBXRNUZQYKQ-KGXGESDWSA-N 305.374 2.402 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CC[C@@H](Oc2cccnn2)C1 225408957 FBVWXEAIMDOJME-CYBMUJFWSA-N 308.341 2.251 0 40 DEAB COc1ccc(-c2noc(C(=O)NC3CC3)c2[C@H](C)O)cc1 225430795 NSVLNHNMSLWBFO-VIFPVBQESA-N 302.330 2.296 0 40 DEAB biogenic,in-vitro O=S(=O)(/C=C/c1ccccc1)NCC[C@H](O)c1ccco1 77111570 SDLPFJIPUQMALN-TZIYXEQSSA-N 307.371 2.293 0 40 DEAB COCCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C 222732366 FDVNDPDXABYOQX-CABCVRRESA-N 316.430 2.132 0 40 DEAB CCN1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 96260582 VRNXMGMXEJHVFW-UHFFFAOYSA-N 316.449 2.026 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@H]1C[C@H]1c1ccc(Cl)cc1 96404706 MQTLVAWSUHAXBJ-STQMWFEESA-N 316.792 2.298 0 40 DEAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(c1ncccn1)CC2 96199648 AWWFTAXLCSWTQC-INIZCTEOSA-N 322.412 2.462 0 40 DEAB C[C@@H](Cc1ccc(Br)cc1)C(=O)NC[C@@H](C)CO 96487451 KLSJZSYDWZWUBK-MNOVXSKESA-N 314.223 2.372 0 40 DEAB CCCCNC(=O)c1nnn(Cc2ccc(C)cc2)c1OC 96183349 MXYFHNROLTXJIB-UHFFFAOYSA-N 302.378 2.173 0 40 DEAB COC[C@H]1CN(Cc2ccccn2)Cc2ncn(CC3CC3)c21 96060275 IFVNRZIUJYGKED-OAHLLOKOSA-N 312.417 2.434 0 40 DEAB Cc1ccccc1[C@H](NC(=O)Cn1nnnc1C(C)C)C1CC1 96445000 IBNZKVKSTIMWBJ-MRXNPFEDSA-N 313.405 2.372 0 40 DEAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)CCn1cncn1 96412750 VMNUXBRLBOFVSX-NHYWBVRUSA-N 322.796 2.214 0 40 DEAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)c2cccs2)N1CC1CC1 96056556 HZGYFMXAIZJRGK-CHWSQXEVSA-N 304.415 2.364 0 40 DEAB O=C(c1cccnn1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257302167 SBTSHNMULBYGQG-LXZKKBNFSA-N 309.369 2.406 0 40 DEAB Cn1cccc1C(=O)N1CC[C@@H](c2noc(-c3ccco3)n2)C1 253473592 WPWXTWTYVFTGSK-LLVKDONJSA-N 312.329 2.298 0 40 DEAB c1cncc(O[C@H]2CSC3(C2)CN(CC2CCOCC2)C3)c1 253477032 CNDSGABQNOFNKD-MRXNPFEDSA-N 320.458 2.447 0 40 DEAB CNc1cc(C)nc([C@@H]2CN(Cc3c[nH]nc3C)CCO2)c1 257258734 KVHGVJKKLAIOLF-INIZCTEOSA-N 301.394 2.037 0 40 DEAB O=C(O)[C@@H]1C[C@H](O)[C@@H](Nc2ncnc3c2oc2ccccc23)C1 662895907 JGFBVYHVYXXUJY-LSJOCFKGSA-N 313.313 2.012 0 40 DEAB Cc1ccc2cc(C(=O)N3CC[C@@]4(CCCO4)C(=O)C3)[nH]c2c1 585288444 ASWNWZSFZNNMPP-SFHVURJKSA-N 312.369 2.441 0 40 DEAB c1ccc(OC[C@@H]2CN(Cc3cccnc3)Cc3ccnn32)nc1 585111691 FVDHDPHDPWMJHH-KRWDZBQOSA-N 321.384 2.309 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cnc(C(C)(C)C)s1 67029463 XMESBXLFXCBHCT-SNVBAGLBSA-N 309.391 2.242 0 40 DEAB CN(C)C(=O)c1cccc(NC(=O)NCCCOCC2CC2)c1 43992156 NTVSTLTZGNGBDI-UHFFFAOYSA-N 319.405 2.327 0 40 DEAB C[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)cn2)C[C@H](C)O1 47585604 WOPBLNNIXKQJFD-STQMWFEESA-N 312.373 2.343 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)C(=O)NCc2ccccc2)s1 55343822 FRWSKIXPZPMRPF-LBPRGKRZSA-N 302.399 2.491 0 40 DEAB CCCC[C@H](CC)C(=O)N(C)CCN(C)C(=O)c1cocn1 1532901876 VRSAWXVJFXDJAN-ZDUSSCGKSA-N 309.410 2.421 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)N1CCc2ccccc2C1 40526643 PFTHMYXSECYVNT-UHFFFAOYSA-N 320.356 2.253 0 40 DEAB Cc1nc(C[S@@](=O)Cc2nsc(N(C)C)n2)sc1C 97237079 OUAKFQKUKSPGEU-LJQANCHMSA-N 316.477 2.126 0 40 DEAB CC(C)[S@](=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCO2)cc1 106872381 DXWDSKKQIXNGHQ-QURLWZIUSA-N 309.431 2.500 0 40 DEAB O=C(c1ccc(Cl)s1)N1CC(OC[C@@H]2CCOC2)C1 1565522029 NWJZYSPRJBLAEF-SECBINFHSA-N 301.795 2.279 0 40 DEAB CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3ccccc3C)ccc21 12623763 AXGNGZSJPFKVAF-UHFFFAOYSA-N 323.352 2.270 0 40 DEAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 18209260 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CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 13893595 NUKVTKVDDZWCBT-VZAMPYOESA-N 311.337 2.314 0 40 DEAB O=C(NCCc1cccs1)C(=O)Nc1ccc(Cl)cn1 38720301 NIYWDGHFFGASOE-UHFFFAOYSA-N 309.778 2.094 0 40 DEAB CCC(CC)Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O 40477501 AWXDLKPJUDBNQQ-UHFFFAOYSA-N 319.448 2.094 0 40 DEAB O=C(NC1CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1)c1ccoc1 101406749 USUWYKDDIJXRAN-HUUCEWRRSA-N 316.401 2.437 0 40 DEAB Cc1cccc([C@H](CC(=O)Nc2ncc(C)s2)NC(N)=O)c1 32796469 OHVNSILEWWQTCY-LBPRGKRZSA-N 318.402 2.498 0 40 DEAB CCn1c(O)nc(=O)c2cnc(-c3ccc(Cl)cc3)nc21 21729427 FULRHAVVDIHJGM-UHFFFAOYSA-N 302.721 2.232 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)NC[C@@H]1Cc2ccccc2O1 33117168 CHTWJPXSVFFOCH-NSHDSACASA-N 305.765 2.115 0 40 DEAB Cc1ccc(OCC(=O)NCCCn2nc(C)cc2C)cc1 22412792 DDYLMHMLFYDHLK-UHFFFAOYSA-N 301.390 2.394 0 40 DEAB O=C(NCC(F)(F)F)N1CCC[C@@H]1c1nnc2ccccn12 46915211 NZRXNKPEUMVSBT-SECBINFHSA-N 313.283 2.138 0 40 DEAB O=C1[C@@H]2N=NN(c3ccccc3)[C@H]2C(=O)N1Cc1ccccc1 2890013 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CCOC(=O)CN(C(=O)c1cc(C)nn1C)c1ccc(F)cc1 58251028 RHVDVMRNIWTXLO-UHFFFAOYSA-N 319.336 2.078 0 40 DEAB CCN(CC)c1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)cn1 58209238 LPQPSCAGXUTYOP-LBPRGKRZSA-N 315.421 2.461 0 40 DEAB CC(=O)Nc1nc(C(=O)Nc2cc(C(C)(C)C)nn2C)cs1 44918489 DRBYKPDXTXSJTA-UHFFFAOYSA-N 321.406 2.385 0 40 DEAB Cn1nc(-c2cccs2)cc1C(=O)NCC1CCOCC1 72405814 MTHFLGDZAPKMCI-UHFFFAOYSA-N 305.403 2.305 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC[C@@H]1CNc2ccnn2C1 58357823 ATYXUILTVHSJCF-VXGBXAGGSA-N 304.369 2.423 0 40 DEAB CCOc1ncccc1CNS(=O)(=O)c1ccc(F)cc1 28041807 ABMREHGHMAGPCF-UHFFFAOYSA-N 310.350 2.098 0 40 DEAB CCNC(=O)c1cccc(NC(=O)[C@@H](C)OCC(F)(F)F)c1 36391834 NAGCPMPKKOTOIU-SECBINFHSA-N 318.295 2.342 0 40 DEAB Cc1cc(NC(=O)CCN(C)CCOc2ccccc2)no1 28634378 NMLYKGGAXPHNDV-UHFFFAOYSA-N 303.362 2.322 0 40 DEAB O=C1CC[C@@H](C(=O)N2CCC[C@@H]2C[C@@H]2C[C@@H]3CC[C@@H]2C3)CN1 102767499 CUDHLFWVYWBVLG-DGXTUMSLSA-N 304.434 2.330 0 40 DEAB O=S(=O)(NCCN1CCCCCC1)c1ccc2c(c1)CCC2 36829460 GFXNGLXJYLYCMH-UHFFFAOYSA-N 322.474 2.330 0 40 DEAB C[C@@H]1c2ccsc2CCN1Cn1nc2ccccn2c1=O 12914123 SMXOCRKWBIOOEK-LLVKDONJSA-N 300.387 2.134 0 40 DEAB CCN(CC)S(=O)(=O)N[C@H](C)c1cc(F)ccc1OC 48671695 USQULIGHTKDTLU-SNVBAGLBSA-N 304.387 2.072 0 40 DEAB O=C(COc1ccccc1F)NCc1ccc(C(=O)O)cc1 13092026 GAGUDRZDVBNRFR-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB CN1C(=O)[C@H](C(=O)O)[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 13517664 JUWAKUBFCACRJR-HVOFVXBASA-N 301.342 2.222 0 40 DEAB COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 9258898 OXSZGBZSXAHQKM-UHFFFAOYSA-N 309.321 2.312 0 40 DEAB O=C(NCc1nc([C@H]2CCCCCN2)no1)NC1CCCCC1 96001555 OZYDNTVHCZZODA-CYBMUJFWSA-N 321.425 2.406 0 40 DEAB CCc1nsc(N2CCC[C@H]2CC(=O)c2cnn(C)c2)n1 97047863 LJORHCUPTVFVBP-NSHDSACASA-N 305.407 2.076 0 40 DEAB Cc1nn(C(F)F)c(C)c1CC(=O)NO[C@@H]1CCCCO1 65498004 ITLVUTZNIFWXBS-GFCCVEGCSA-N 303.309 2.012 0 40 DEAB C[C@@H](Sc1nccn1C)C(=O)N1CCc2ccccc2C1 5359122 LKHJHLMJJSOHQS-GFCCVEGCSA-N 301.415 2.486 0 40 DEAB Cc1nnc(NC(=O)NC[C@H]2CCc3ccccc3N2)s1 65606605 FPUBYRRQZWYAGL-LLVKDONJSA-N 303.391 2.395 0 40 DEAB O=C1[C@H]2CCCN2C(=O)N1CCOCc1ccc(Cl)cc1 97232375 TUGUROQPYXORPA-CYBMUJFWSA-N 308.765 2.283 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)NCc1nccc2ccccc12 14386385 XRQICSNVFIYYRC-GFCCVEGCSA-N 323.352 2.263 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)Nc1c(F)cccc1F 6647329 ZXHZQNOAXFCVNB-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2cccnc2)cc1 6780990 GQLALWXRNCEAEI-UHFFFAOYSA-N 314.370 2.167 0 40 DEAB Cc1cc(C)n(Cc2cccc(NC(=O)CCn3cncn3)c2)n1 66426074 RSZKMMXSMRIYJY-UHFFFAOYSA-N 324.388 2.169 0 40 DEAB Nc1cc(N)nc(SCc2cc(Cl)cc3c2OCOC3)n1 6831842 FNKJCPBYWGVLGD-UHFFFAOYSA-N 324.793 2.453 0 40 DEAB COc1ccc(Br)cc1S(=O)(=O)NCC(C)C 7375537 YMPQOJYUGHMZHX-UHFFFAOYSA-N 322.224 2.392 0 40 DEAB CCCn1ncc(I)c1C(=O)OCC 408717072 VMNUBULJUUWZID-UHFFFAOYSA-N 308.119 2.074 0 40 DEAB O=C(Nc1ccccc1F)[C@@H]1CCCN(c2ncccn2)C1 9577391 WNVVQRWXJNLSIM-GFCCVEGCSA-N 300.337 2.471 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(F)cc1 71886227 ZQDRXMAIJYCYGM-DAXOMENPSA-N 318.392 2.479 0 40 DEAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nc(CC(C)C)no1 71880439 WUWVGBSSIKMOAQ-CABCVRRESA-N 320.437 2.243 0 40 DEAB COCc1nc(C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)cs1 71869921 RGCOEHGWRIKLDK-GFCCVEGCSA-N 320.418 2.099 0 40 DEAB Cc1ccc(OCCn2c(=N)n(CCO)c3ccccc32)cc1 19973658 AAFWSFYOGAVKMM-UHFFFAOYSA-N 311.385 2.302 0 40 DEAB CC(=O)Nc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccccc21 69383113 DQURZJDDDUSOKF-GOSISDBHSA-N 324.336 2.058 0 40 DEAB CNc1cc(N2CCC[C@H]2CNCc2cccs2)ncn1 72254083 LAEBYSWIALJBKZ-LBPRGKRZSA-N 303.435 2.338 0 40 DEAB CCc1c(C(=O)NC[C@@H](O)C2CC2)cnn1-c1ccc(F)cc1 83817572 VEXMVPCSUIHKRX-MRXNPFEDSA-N 317.364 2.075 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2C)C1(C)C 71915917 YZYLBHDICGGYGQ-HUUCEWRRSA-N 318.417 2.045 0 40 DEAB C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 70172418 UBEAIKWUGVIAML-ZJUUUORDSA-N 312.211 2.044 0 40 DEAB COCCCN1CCC(NC(=O)/C=C/c2csc(C)n2)CC1 69452747 HTDNNMFPZCYBNS-SNAWJCMRSA-N 323.462 2.082 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc(C)ccc2O)nc1 69514744 DHYXCHNZOSQKIH-UHFFFAOYSA-N 313.357 2.115 0 40 DEAB O=C(CCCOCc1ccccc1)N[C@@H]1CCc2nccn2C1 72278543 AVLQGLIEXNIBBC-MRXNPFEDSA-N 313.401 2.311 0 40 DEAB CC(C)n1cc(CN2CCCN(C(=O)c3ccoc3)CC2)cn1 69652041 LISOKNKKMKLWKB-UHFFFAOYSA-N 316.405 2.405 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 18056585 NUUVQLQBTIPSJH-ZIAGYGMSSA-N 314.385 2.417 0 40 DEAB Cc1nc(CNC(=O)Nc2ccc(-c3nnc(C)o3)cc2)no1 84281362 DJTXBJHCGSXOGE-UHFFFAOYSA-N 314.305 2.058 0 40 DEAB CCCn1cc(CN(C)Cc2nc3ccsc3c(=O)[nH]2)cn1 97162310 HFTGMHWARQPNTF-UHFFFAOYSA-N 317.418 2.223 0 40 DEAB CC(=O)N(C)c1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1 84671295 LLRYWVLCTZRCCK-LBPRGKRZSA-N 319.434 2.229 0 40 DEAB COc1ccc2oc(CNC[C@H]3CN4CCC[C@@H]4CO3)cc2c1 95448656 LMXCSVHOAPXFTI-PBHICJAKSA-N 316.401 2.394 0 40 DEAB O=C(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)C1=CCCC1 89769767 DPLBEIXPRMPXJZ-UHFFFAOYSA-N 324.377 2.315 0 40 DEAB O=C(NCCCNC(=O)C1CCC1)Nc1cc(F)cc(F)c1 89764406 VIRHUGQSYNXYAY-UHFFFAOYSA-N 311.332 2.393 0 40 DEAB O=S(=O)(c1cccc2ncccc12)N1CCCC[C@H]1CCO 89807739 XTEAIYCMRHIIRR-ZDUSSCGKSA-N 320.414 2.160 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)N(C)CCCn2ccnc2)C12CCC2 89985734 SMBHMJSQNSVZLJ-GJZGRUSLSA-N 320.437 2.262 0 40 DEAB CCNC(=O)N1CCN(Cc2nc(-c3ccco3)oc2C)CC1 89977452 ASULRJLJNGLLDZ-UHFFFAOYSA-N 318.377 2.090 0 40 DEAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1ccc2c(c1)OCO2 62001531 HIVLLLMSCJPNTB-WMZOPIPTSA-N 308.337 2.340 0 40 DEAB biogenic Cc1ccccc1[C@@H]1CCN(C(=O)Cn2cncn2)CCS1 219288629 OBUNXDFTLYPKFV-HNNXBMFYSA-N 316.430 2.293 0 40 DEAB C[C@@H](NC(=O)CN[C@](C)(CO)C1CCCCC1)c1ccco1 77656248 WBIBFGOIIQSOQG-CXAGYDPISA-N 308.422 2.378 0 40 DEAB CC1=C(C(=O)NC(C)(C)C)C[C@H](C(=O)NC(C)(C)C)[C@@H](C)N1 31852470 FJYFISLNIKEFCS-PWSUYJOCSA-N 309.454 2.088 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)COc2ccccc2)C1 78879499 VRHRZWUQIOLSOT-CYBMUJFWSA-N 320.389 2.191 0 40 DEAB CCCNS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 72846928 OGLHLLJOTXUYDT-UHFFFAOYSA-N 313.423 2.152 0 40 DEAB Cn1c(CN2CCCCCC2)cc(=O)c(O)c1CN1CCCC1 79480583 FJUQBIAIBHOLBK-UHFFFAOYSA-N 319.449 2.063 0 40 DEAB COc1ccc([C@@H]2[C@H](N)C(=O)N2Cc2ccc(F)cc2)cc1 72228182 FVBINQHIDRCJON-JKSUJKDBSA-N 300.333 2.245 0 40 DEAB O=C(NCC[C@@H]1CCOC1)c1c(F)cccc1-n1cccn1 567330768 NUDCDXBAIAXIHC-GFCCVEGCSA-N 303.337 2.168 0 40 DEAB CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)Cn1nc(C)cc1C 78925088 JZIBAORNXFOYJW-GOEBONIOSA-N 321.469 2.062 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccn1 222745904 LYUWMUPOYJWBFB-CQSZACIVSA-N 311.385 2.135 0 40 DEAB Cc1cc(CNC(=O)C[C@H](CC(=O)O)c2cccs2)n(C)n1 226750953 HRZBIYVNMQXVDB-LLVKDONJSA-N 321.402 2.055 0 40 DEAB C[C@@](O)(CNC(=O)NCCCc1ccccc1)c1ccco1 75156355 MMVLSLFDRAUWLM-QGZVFWFLSA-N 302.374 2.419 0 40 DEAB Cc1n[nH]c(=O)c(C(=O)NC[C@H](C)Sc2ccccc2)c1C 81111164 HVDDXRDRPNVABT-JTQLQIEISA-N 317.414 2.297 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N(C)CCCCN(C)C)c1 85295802 AXURWMCJUWIWMG-UHFFFAOYSA-N 302.415 2.096 0 40 DEAB O=C(c1cc2ccccn2c1)N1CCC[C@H](Oc2cccnn2)C1 225456384 OUXHBBVOSPWHSN-INIZCTEOSA-N 322.368 2.413 0 40 DEAB CC(C)NC(=O)N1CCc2onc(COc3cccnc3)c2C1 96260104 SGDKJVVRNBMQIU-UHFFFAOYSA-N 316.361 2.125 0 40 DEAB CS(=O)(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261344 QNNLXJQKCYTNSS-JKSUJKDBSA-N 309.431 2.058 0 40 DEAB c1cncc(N2CCO[C@@H]3CCN(Cc4ccc[nH]4)CC[C@@H]32)c1 96249425 AODWECBXTYRADR-ZWKOTPCHSA-N 312.417 2.280 0 40 DEAB CC(=O)N1CC[C@@H]2OCCC[C@]2(COCc2ccccn2)C1 96040259 NUXFRALSEXWTFP-DLBZAZTESA-N 304.390 2.016 0 40 DEAB CS(=O)(=O)[C@](Cl)(Br)[C@H](O)c1ccccc1 96519690 WKXKQLBNIHUGGO-BDAKNGLRSA-N 313.600 2.052 0 40 DEAB O=C(NCC1(O)CCC1)N[C@H](c1ccccc1)[C@H]1CCCO1 96416072 VHSACLBYUIZHMH-HUUCEWRRSA-N 304.390 2.121 0 40 DEAB CCc1cnc(CCNS(=O)(=O)c2cccs2)s1 96428650 CHUXFNLURWDKJA-UHFFFAOYSA-N 302.446 2.288 0 40 DEAB COC[C@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)C1CC1 96494040 BAIAEQCPIMDYEQ-SJORKVTESA-N 318.417 2.065 0 40 DEAB CN(Cc1nc(N)c2ccccc2n1)[C@H]1CCCc2c1cnn2C 97370295 URMNDDNLFNVEBF-HNNXBMFYSA-N 322.416 2.455 0 40 DEAB C[C@H]1CC[C@@H](C)N1C(=O)c1cc2c(s1)CCS(=O)(=O)C2 95417053 YDSDNABCZNOWJF-AOOOYVTPSA-N 313.444 2.232 0 40 DEAB CCOC[C@H]1CCS(=O)(=O)C12CN(Cc1ccc(C)cc1)C2 248081870 IYEURFTZALNPDV-MRXNPFEDSA-N 323.458 2.021 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 26295194 UIWHYEDCNJMTEY-GHMZBOCLSA-N 321.343 2.014 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)C2CCC(F)(F)CC2)n1 257304460 SLTWKCPUMJKTPP-LBPRGKRZSA-N 313.348 2.444 0 40 DEAB CC(=O)N1CCC(c2cccc(N3C(=O)OC[C@H]3C)n2)CC1 257327547 XBUKMVIYORVVDH-LLVKDONJSA-N 303.362 2.153 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2cnccn2)s1 257282072 OSFZSWSEIKYTGW-CYBMUJFWSA-N 302.403 2.456 0 40 DEAB CC1(C)NC(=O)N(CCSc2ccc(F)cc2F)C1=O 28014659 VFZWYDONLAVCHN-UHFFFAOYSA-N 300.330 2.387 0 40 DEAB CC(C)c1nnc(NC(=O)NCc2nc(C3CC3)no2)s1 65458258 XELCHCYUNBHREV-UHFFFAOYSA-N 308.367 2.244 0 40 DEAB CC(C)=CC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1 69699658 NJCNRUQWTJFDKW-UHFFFAOYSA-N 300.402 2.175 0 40 DEAB O=C1COc2cc(C(=O)NCCc3ccsc3)ccc2N1 44913520 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CCOc1ccc(CC(=O)N[C@@H](Cn2ccnn2)C(C)C)cc1 575617371 VYYUTQQYQFQWJA-INIZCTEOSA-N 316.405 2.060 0 40 DEAB O=C(NCCn1nc(C2CC2)ccc1=O)c1ccc2[nH]ccc2c1 575620255 PABACNJKQGQZRX-UHFFFAOYSA-N 322.368 2.032 0 40 DEAB COc1ccc(NC(=O)[C@H]2C(=O)NC[C@H]2C(C)(C)C)c(C)c1 585149514 CATKESRFYIFXBX-TZMCWYRMSA-N 304.390 2.350 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCc2cccc(Cl)c2)CC1=O 32816206 CBPPUKCLCDHBEH-ZDUSSCGKSA-N 308.809 2.256 0 40 DEAB Cc1c(C(=O)OCc2nc(-c3cccs3)no2)cnn1C 21614674 PIJLIUHGNFFROE-UHFFFAOYSA-N 304.331 2.197 0 40 DEAB O=C(COCC1CC1)Nc1ccc(OCC(F)(F)F)nc1 32931168 JIYKXSWLNBGJAG-UHFFFAOYSA-N 304.268 2.388 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)NCCCOCC1CC1 32930916 YOGHGEQBRSLQQA-UHFFFAOYSA-N 313.401 2.348 0 40 DEAB Cn1ccs/c1=N\C(=O)c1ccccc1OC[C@@H]1CCCO1 21843259 SPLPVCRSFBQGBO-ICDILTBESA-N 318.398 2.386 0 40 DEAB CC(=O)N1CCCN(C(=O)Cn2c(C)cc3ccccc32)CC1 53356511 ROUWTSSYTLXDIJ-UHFFFAOYSA-N 313.401 2.031 0 40 DEAB CC(C)(C)NC[C@@H](O)COc1ccccc1OC[C@@H]1CCCO1 101 AKLNLVOZXMQGSI-CABCVRRESA-N 323.433 2.372 0 40 DEAB in-man O=C(NCCc1cn2c(n1)CCCC2)NC(C1CC1)C1CC1 78368674 YVCUIMIRCBQPSZ-UHFFFAOYSA-N 302.422 2.250 0 40 DEAB CCOC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 6595041 IXQPJVYLBZLZSZ-VIFPVBQESA-N 305.783 2.058 0 40 DEAB O=C(NCc1cc(Br)cs1)NC[C@@H]1CCCO1 42867685 AZXICQVPVZYFFK-VIFPVBQESA-N 319.224 2.489 0 40 DEAB CC(C)(C)OC(=O)N[C@]1(CO)CCN(Cc2ccccc2)C1 48056615 YAJSWXXRXAAIHN-QGZVFWFLSA-N 306.406 2.148 0 40 DEAB in-vitro O=C(COC(=O)/C=C/c1ccccc1Cl)NC[C@@H]1CCCO1 3288535 AJCQBBHYQSRAGT-GWJCSSMESA-N 323.776 2.192 0 40 DEAB Cc1cc(CNC(=O)c2ccc(Br)cc2O)no1 44728032 NYHJNOCECOPACL-UHFFFAOYSA-N 311.135 2.381 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cn(C)nc1C 100141023 BPXQWOGYQQAEQB-HOCLYGCPSA-N 322.416 2.341 0 40 DEAB O=C(NCc1ccc(F)cc1)c1cn(Cc2ccccc2)nn1 44895622 PQPRHLRDQNDLHV-UHFFFAOYSA-N 310.332 2.396 0 40 DEAB C=Cc1cccc2c1O[C@]1(C)NC(=S)N[C@@H]2[C@@H]1C(=O)OCC 100870325 PUVKVEHSIJXBBP-WQGACYEGSA-N 318.398 2.136 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)cc1F 58282607 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40 DEAB COc1cc(OC)c2[nH]c(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2c1 40493433 DLISNUNDRXGLEB-QWRGUYRKSA-N 318.373 2.435 0 40 DEAB Cc1ccc(C)c(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102636658 NUUVQLQBTIPSJH-OKILXGFUSA-N 314.385 2.417 0 40 DEAB CN1CCCN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)CC1 32963981 XNNGDGCEGNKRFR-KRWDZBQOSA-N 318.417 2.022 0 40 DEAB Cc1cnc(C(=O)N(C)Cc2ccc(Br)o2)cn1 41395901 XXCNHLVZPIIIMG-UHFFFAOYSA-N 310.151 2.413 0 40 DEAB O=C(CSC(F)(F)F)Nc1ccc(-n2cccn2)nc1 33165674 ZJJWHZMPWQHVTG-UHFFFAOYSA-N 302.281 2.459 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3ccncc3)ccc21 22260458 GUUHNBLTGMLPOF-UHFFFAOYSA-N 308.341 2.372 0 40 DEAB COc1ccc(NCN2C(=O)[C@@H]3CC[C@H](C)C[C@H]3C2=O)cc1 103699104 QNCZBNZAUAVPQB-NILFDRSVSA-N 302.374 2.486 0 40 DEAB COc1cc(C(=O)n2ncc(C(C)=O)c2C)cc(OC)c1OC 150849 SXAOFLOUBVJRGK-UHFFFAOYSA-N 318.329 2.108 0 40 DEAB CCOCC(=O)Nc1ccn(Cc2cccc3cccnc23)n1 61314076 SAVIXKHVQXMTEO-UHFFFAOYSA-N 310.357 2.455 0 40 DEAB CCOc1ccc(C(=O)NC[C@H](O)c2ccc(F)cc2)cn1 97490170 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71873026 MPWPKBMTVPHBDE-UHFFFAOYSA-N 308.353 2.376 0 40 DEAB CS(=O)(=O)c1ccc(CNC(=O)NCCC2=CCCC2)cc1 95435242 LQDMHXGSMYSMNO-UHFFFAOYSA-N 322.430 2.390 0 40 DEAB N=C1Nc2nc3ccccc3n2[C@@H](c2ccc3c(c2)OCCO3)N1 18053400 JGYRSIHGVJTIHC-HNNXBMFYSA-N 321.340 2.304 0 40 DEAB CCc1nc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)OC)c[nH]1 83817298 SRZQTVBOBZMIRL-IAQYHMDHSA-N 315.373 2.252 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)C[C@H]2C=CCC2)c1 69896270 CFVKRFGFGMCSHW-AWEZNQCLSA-N 302.374 2.496 0 40 DEAB C[C@H]1CCC[C@H](OCC(=O)NCCC(=O)N2CCCCCC2)C1 71903042 AQTMFKJCQJECMW-HOTGVXAUSA-N 324.465 2.491 0 40 DEAB COc1ccc(-c2nc(Cn3c(=O)oc4cccnc43)no2)cc1 83952326 TZYGTZLNORJJDJ-UHFFFAOYSA-N 324.296 2.096 0 40 DEAB Cc1ncn(C[C@@H](O)c2ccc(Br)cc2)c(=O)c1C 97082226 NXOKCVLNGLGCNF-CYBMUJFWSA-N 323.190 2.356 0 40 DEAB CC[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1C[C@@H](C)O 72279760 HMLHAQFNJFKBLS-ZIAGYGMSSA-N 309.454 2.249 0 40 DEAB Cc1ccnc(NC[C@H](c2cccs2)N2CCOCC2)n1 72290326 PGRAVKFSLVKLFT-CYBMUJFWSA-N 304.419 2.332 0 40 DEAB Cc1cccc(Cl)c1NC(=O)N(C)CC(C)(CO)CO 97161882 DJPMSJJTFGTREJ-UHFFFAOYSA-N 300.786 2.103 0 40 DEAB Cn1ncnc1CNC(=O)NC1(Cc2ccccc2)CCCC1 97114669 WVQSOBDJWITHHO-UHFFFAOYSA-N 313.405 2.170 0 40 DEAB CCCN1CCCC[C@@H]1C(=O)NCCc1csc(N(C)C)n1 89959051 AUSRWYORTXKDEA-CQSZACIVSA-N 324.494 2.132 0 40 DEAB C[C@@H](CNC(=O)CCOc1ccc(F)cc1Cl)[S@@](C)=O 89900679 LCGHIZBVEMBYOA-LXGOIASLSA-N 321.801 2.131 0 40 DEAB CC(=O)Nc1nc(COC(=O)COc2ccccc2)cs1 24905093 GQJYPGSSSMOCOO-UHFFFAOYSA-N 306.343 2.224 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306142121 WQGQMASJZSYRJG-HNNXBMFYSA-N 318.417 2.406 0 40 DEAB COc1ccc(CCCNC(=O)C2CCN(C)CC2)cc1OC 73082063 CYPYQOMLYQLOBO-UHFFFAOYSA-N 320.433 2.094 0 40 DEAB CC(C)(C)OC(=O)N1CC=C(C2(C(=O)O)CCOCC2)CC1 1535631124 JCMHGQVYCSAXEU-UHFFFAOYSA-N 311.378 2.435 0 40 DEAB O=C(NCCOc1ccc(F)c(F)c1)c1ccc2[nH]nnc2c1 78610135 FJOGQHNOAMZTEC-UHFFFAOYSA-N 318.283 2.045 0 40 DEAB CCc1nc(CNC(=O)NCc2ccnc(OC)c2)cs1 78663398 DWRIFZYGEXBGBP-UHFFFAOYSA-N 306.391 2.109 0 40 DEAB COC[C@@H](C)n1ccc(NC(=O)N[C@@H](C)c2ccccn2)n1 189930377 SRJONSMXACOHAI-NEPJUHHUSA-N 303.366 2.368 0 40 DEAB Cc1ccn(CC(=O)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 71195885 OVPQRWPKHFFLRH-CQSZACIVSA-N 315.421 2.337 0 40 DEAB Cc1cccc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c1 72389564 GIMJRSJGAFTJLN-UHFFFAOYSA-N 324.428 2.237 0 40 DEAB COc1ncccc1C(=O)Nc1ccccc1-c1nncn1C 79351916 KZLPOHYQFHFQOR-UHFFFAOYSA-N 309.329 2.138 0 40 DEAB CC(=O)c1ccc(N2CCN(Cc3c(C)noc3C)CC2)nc1 180999516 FWDWVAWMRYWXBW-UHFFFAOYSA-N 314.389 2.211 0 40 DEAB COc1ccc(CN2C(=O)[C@H](N)[C@@H]2c2ccc(C)o2)cc1OC 72227071 HTYDLQHASXTDHG-CVEARBPZSA-N 316.357 2.016 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC(Nc3cccnn3)CC2)s1 69655422 QUTGVVWQBLPOAE-UHFFFAOYSA-N 317.418 2.267 0 40 DEAB COc1cccc(Cc2nc(CC(=O)Nc3ccccc3)no2)n1 192700140 BWGDEWJSLUQRRY-UHFFFAOYSA-N 324.340 2.245 0 40 DEAB O=C(Cc1cccnc1)NCc1ccc(-c2cccnc2)nc1 225765830 WWMDKXLQAJVMGK-UHFFFAOYSA-N 304.353 2.398 0 40 DEAB CCS[C@H]1CCCC[C@@H]1NCC(=O)Nc1cc(C)nn1C 195571222 XVKSNAOYBLIJQB-STQMWFEESA-N 310.467 2.321 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NCC2=CCCCC2)c1 225101304 CFWCBPOGNOCKNI-UHFFFAOYSA-N 309.387 2.252 0 40 DEAB CCCN1CCC[C@@H]1C(=O)NC[C@](C)(O)c1cc(C)oc1C 81818485 CGOFNMXLHUOTKZ-WBVHZDCISA-N 308.422 2.095 0 40 DEAB CCN(c1ccccc1)S(=O)(=O)NC(=O)CCC(F)(F)F 195580307 LYTNNCGNNHCQER-UHFFFAOYSA-N 324.324 2.216 0 40 DEAB CCCc1nc(C[S@@](=O)Cc2cn3cccc(C)c3n2)no1 83952766 ILEVLDHKCRPYKT-JOCHJYFZSA-N 318.402 2.427 0 40 DEAB CC(C)C(=O)N1CCCC[C@]12CC(=O)N(c1cccnc1)C2 96071727 IRUCTPQBNLOHNA-QGZVFWFLSA-N 301.390 2.226 0 40 DEAB CC(C)(C)CNC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 194270197 WSWHDEOPGGNIQL-UHFFFAOYSA-N 324.446 2.175 0 40 DEAB C[C@@H](c1ccsc1)N1CCN(CC(=O)NC(C)(C)C)CC1 97378919 NBSBVNWKRBKLPG-ZDUSSCGKSA-N 309.479 2.341 0 40 DEAB CN(Cc1cc(=O)c(O)co1)Cc1nc2c(s1)CCCC2 96447120 JRXHYVFNZNSTQF-UHFFFAOYSA-N 306.387 2.313 0 40 DEAB CCc1nsc(N2CCN(C(=O)/C=C/c3ccco3)CC2)n1 96432229 PAAWVZMLQZQPEN-AATRIKPKSA-N 318.402 2.056 0 40 DEAB COC[C@H](O)CN(C)C(=O)c1cccc(-c2csc(C)n2)c1 96461607 KOMRAZOLDVDFRQ-CQSZACIVSA-N 320.414 2.198 0 40 DEAB Cc1cc(NC(=O)C(=O)NC2CC=CC2)n(Cc2ccccc2)n1 95440894 JASOKCWPNBYTKW-UHFFFAOYSA-N 324.384 2.013 0 40 DEAB CCn1cc2c(n1)[C@@H](COC)CN(C(=O)c1cccs1)C2 96198064 XHVMCRNPTOIZIF-GFCCVEGCSA-N 305.403 2.351 0 40 DEAB C1CC(N2CCC3(CC2)CO[C@@H](COCC2CC2)C3)CCO1 96106023 VANFZJZIHDTNJH-QGZVFWFLSA-N 309.450 2.463 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Cl)c[nH]1)CC2 96420943 YQTOQEHVMWUFOU-OLZOCXBDSA-N 312.797 2.060 0 40 DEAB Cc1cccc([C@H](O)[C@@](C)(Br)S(C)(=O)=O)c1 96521294 DPAZTQXOWNZCHM-QWRGUYRKSA-N 307.209 2.184 0 40 DEAB O=c1cccc2n1C[C@H]1C[C@@H]2CN(C[C@@H](O)c2ccccc2)C1 95753384 WIVHHJZQKWCBGX-YXJHDRRASA-N 310.397 2.001 0 40 DEAB biogenic O=C(Nc1n[nH]c([C@H]2CCCO2)n1)c1cc(-c2ccccc2)[nH]n1 95479258 SNIUVDFMJYOZIM-CYBMUJFWSA-N 324.344 2.299 0 40 DEAB Cc1nc(O)cc([C@@H]2COCCN2Cc2cccc(F)c2F)n1 257278639 ODAGGBFXRYFLRD-AWEZNQCLSA-N 321.327 2.342 0 40 DEAB CC[C@@H](N(C)C)N1CCc2nc(-c3ccccc3)nc(N)c2C1 255190095 UZAKITFKNHTWCE-INIZCTEOSA-N 311.433 2.382 0 40 DEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1C(=O)c1cnco1 257208331 BLSKSWCSYMBAKU-ZDUSSCGKSA-N 324.340 2.277 0 40 DEAB O=C(c1ccncc1)N1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 257257812 KREMZHHUSDLVHO-CYBMUJFWSA-N 320.356 2.239 0 40 DEAB O=C(O)[C@H]1CC[C@H](C(=O)NCc2nc3cc(F)ccc3[nH]2)CC1 262723711 RCYHOQSEOXXYDM-MGCOHNPYSA-N 319.336 2.209 0 40 DEAB COc1cc(CN2CCC(C(=O)NC3CC3)CC2)cc(OC)c1 371412822 JVPAIGWCPNOJEK-UHFFFAOYSA-N 318.417 2.194 0 40 DEAB Cc1cc(C)c2c(c1)N(C(=O)c1cnc(C3CC3)nc1N)CCO2 585142342 UAGBYNSRXIRYGU-UHFFFAOYSA-N 324.384 2.592 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@]3(CCN(C)C3=O)C2)cc1 585101044 ZDSQBJSFSSHWRG-GOSISDBHSA-N 300.402 2.008 0 40 DEAB CN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)c1cccs1)C2 585102819 IQYARDVJXJFGSW-MLGOLLRUSA-N 306.431 2.469 0 40 DEAB CO[C@]1(CCC(N)=O)CCCN(C(=O)c2ccc(F)c(C)c2)C1 585278899 WQDBMWHBDLZUDQ-KRWDZBQOSA-N 322.380 2.021 0 40 DEAB CO[C@@]1(COc2cccc(C)c2)CCN(Cc2ncc[nH]2)C1 585275150 YLACCJPIVWGTRI-KRWDZBQOSA-N 301.390 2.388 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C2 69455115 ILCHHDOXHSXKIO-UONOGXRCSA-N 314.364 2.126 0 40 DEAB O=C1NCCCC[C@H]1NCc1ccc(F)c(Br)c1 36977181 XSUAWPUTAVUYMQ-GFCCVEGCSA-N 315.186 2.347 0 40 DEAB Cc1nc(CCNC(=O)NCCN2CCCC[C@H]2C)cs1 44967722 QKELASBISZPUKK-GFCCVEGCSA-N 310.467 2.168 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)COCCOc1ccccc1 52640456 UEYLNEUJAUUBDN-UHFFFAOYSA-N 318.373 2.345 0 40 DEAB COC(=O)CCNC(=O)c1cccnc1SC1CCCC1 54813499 DBWZSSZCLJGXPV-UHFFFAOYSA-N 308.403 2.409 0 40 DEAB CCC[C@H](NC(=O)c1ccccc1Br)c1nnn[nH]1 75107658 LNRWEANYVHFXDC-JTQLQIEISA-N 324.182 2.233 0 40 DEAB COc1ccc(OC(C)C)c(NC(=O)NCC(C)(C)C(N)=O)c1 75134217 AWUMQORIEALBDA-UHFFFAOYSA-N 323.393 2.115 0 40 DEAB Cc1c(C(=O)N2CCN(CCO)CC2)oc2ccc(Cl)cc12 78463126 NYINYAJNIPKLDX-UHFFFAOYSA-N 322.792 2.145 0 40 DEAB CC(C)(O)CN(Cc1ccccc1)C(=O)Nc1cccnn1 95987456 GRXMPSGQMQDICF-UHFFFAOYSA-N 300.362 2.282 0 40 DEAB Cc1ccc(SCCNC(=O)CN2CCCCC2=O)cc1 97262772 HVOSHMUSZZCJSD-UHFFFAOYSA-N 306.431 2.216 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C(=O)O)C2CC2)cc1F 571977378 GCRLVHMEQNXABM-AMIZOPFISA-N 310.325 2.058 0 40 DEAB C[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C 97232718 XWNZPZRUUCUJQV-KOLCDFICSA-N 315.211 2.163 0 40 DEAB Cc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)NC2CC2)s1 5151382 AYZJNZZDQKIBQW-SNVBAGLBSA-N 309.387 2.230 0 40 DEAB CC(=O)[C@H](C)n1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 148678 KBIHTQAPONLKSA-VIFPVBQESA-N 322.386 2.482 0 40 DEAB COc1cnc(N2CCN(c3ccccc3Cl)CC2)nc1 1889119603 WFWCQMSHGNGNSY-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB Cn1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)n1 13667553 JMBKBUHKEIIBGT-UHFFFAOYSA-N 303.709 2.376 0 40 DEAB COc1cccc(-c2cc(=O)n3nc(C(F)(F)F)nc3[nH]2)c1 101139249 YEHURBGELGQETR-UHFFFAOYSA-N 310.235 2.112 0 40 DEAB O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccc(Cl)cc2)[C@H]2C=C[C@H]1C2 102206570 ZBOPIVKFAMBBNH-IMIFBBOLSA-N 305.761 2.479 0 40 DEAB Cc1noc(C)c1CCC(=O)NCCc1ccc2c(c1)OCO2 32741209 QDNHKTRQLBIGAS-UHFFFAOYSA-N 316.357 2.312 0 40 DEAB COc1ccc(OCCN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 102697968 GLMOAHFBQCRUIB-HUUCEWRRSA-N 301.342 2.025 0 40 DEAB CCOC(=O)N[C@@H](C(=O)NCc1cccc(OC)c1)C(C)C 32911685 VGWUYPUAVUKSRY-CQSZACIVSA-N 308.378 2.082 0 40 DEAB COC(=O)[C@H](NC(=O)c1scnc1C)c1ccc(C)cc1 78950779 BDMQPZWCGFWYMB-GFCCVEGCSA-N 304.371 2.404 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCC[C@H](C)C1)C(=O)[C@@H](C)O2 1362166 QPZYKTBEARCNSM-UONOGXRCSA-N 316.401 2.367 0 40 DEAB O=C(COC(=O)c1ccccc1F)Nc1ccc2c(c1)OCO2 808277 GDSYNZDCRNXEDB-UHFFFAOYSA-N 317.272 2.350 0 40 DEAB CCOC(=O)C(=O)Nc1c(F)cc(F)cc1Br 1626694 BMFQIELNWMKVIA-UHFFFAOYSA-N 308.078 2.229 0 40 DEAB Cc1cccc(N2C(=S)S[C@@H]3CS(=O)(=O)C[C@]32C)c1 2449598 RADSEPSSXPMLEC-DGCLKSJQSA-N 313.469 2.389 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 72235361 AEOAHGIVHHYVGJ-ZDUSSCGKSA-N 315.377 2.238 0 40 DEAB O=C(CSc1ncccn1)NC(=O)Nc1ccccc1F 10860911 CKQGQDGEQGAESF-UHFFFAOYSA-N 306.322 2.056 0 40 DEAB COC(=O)/C=C1/SCC(=O)N1CC(=O)c1cc(C)ccc1C 105969593 NBVIAISTODYVDG-VIZOYTHASA-N 319.382 2.076 0 40 DEAB Cn1ccnc1[C@H](NC(=O)CN1CCCCC1)c1ccccc1 12507116 PWUPIOCSBIPETR-QGZVFWFLSA-N 312.417 2.112 0 40 DEAB Cc1cc(C(=O)N2CCN(CC3CC3)CC2)c2c(C)noc2n1 55672747 MWRMQQWHDPIIPJ-UHFFFAOYSA-N 314.389 2.007 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 110515983 HUJYLSHMKQOJDV-AVGNSLFASA-N 311.495 2.286 0 40 DEAB COc1ccc(NC(=O)NC[C@@H](c2ccco2)N(C)C)cn1 48018571 YEKKLCLYEAATOV-LBPRGKRZSA-N 304.350 2.108 0 40 DEAB COCCN(CCOC)CC(=O)Nc1ccc2ccccc2c1 26227723 FJONAHTUZVEOGH-UHFFFAOYSA-N 316.401 2.373 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2cc3c(s2)CCC3)CC1 57027204 WKWLJULXBSECGS-UHFFFAOYSA-N 308.403 2.151 0 40 DEAB COc1ncccc1CNC(=O)N[C@@H]1CCOc2ccccc21 26384028 HYUHKKBTGNREFQ-CQSZACIVSA-N 313.357 2.413 0 40 DEAB Cc1csc(CN2CCN(C(=O)Cc3ccccc3)CC2)n1 21687262 ZMZSFCWCFQUBNB-UHFFFAOYSA-N 315.442 2.338 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Nc1cccnc1N1CCCC1 48171397 ZQTDJJCENYAHLH-CYBMUJFWSA-N 314.393 2.089 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)N[C@H]1CCCC[C@@H]1O 84647389 SWUXGHXQALFLGY-DRZSPHRISA-N 310.369 2.498 0 40 DEAB CCCNC(=O)CNc1nc(C)nc2sc3c(c12)CCC3 10032175 ZDHRUBDQUXRTTG-UHFFFAOYSA-N 304.419 2.427 0 40 DEAB Cc1nc(CCNC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)cs1 48273289 WARBTCBPDAZDDM-ZUZCIYMTSA-N 318.398 2.339 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1cc(C)on1)C[C@@H]2O 48236303 AZMSDUUCPFYBJE-ZDUSSCGKSA-N 304.346 2.049 0 40 DEAB O=C(NCCc1ccccn1)NC[C@H]1COc2ccccc2C1 44947232 JGAIXENEQPWSSW-AWEZNQCLSA-N 311.385 2.175 0 40 DEAB CCN(CC)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 44967258 HENDKPIAPFXYAZ-CQSZACIVSA-N 309.410 2.013 0 40 DEAB C[C@@H](CNC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)N(C)C 58365082 LVHCEUJXVSPXEZ-HOCLYGCPSA-N 321.440 2.104 0 40 DEAB CC(C)N1CCC(NC(=O)C(=O)c2ccc3c(c2)CCC3)CC1 58379361 UXJIVBXGMPVWIR-UHFFFAOYSA-N 314.429 2.347 0 40 DEAB Cc1cc([C@@H](C)NC(=O)c2ccnc(-n3cncn3)c2)c(C)o1 58404510 UNJZDZPGBJPUJY-LLVKDONJSA-N 311.345 2.363 0 40 DEAB COCCCNC(=O)Nc1cc(C(=O)OC)ccc1OC(C)C 58443285 KYZMLHPQZLCAFR-UHFFFAOYSA-N 324.377 2.418 0 40 DEAB O=C(c1ccc(Cl)cc1)N1C(=O)c2ccccc2S1(=O)=O 27525991 FJGUAVKOEVSQEX-UHFFFAOYSA-N 321.741 2.325 0 40 DEAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCCO1 29958949 GGGHVBMEXYACRP-WFASDCNBSA-N 302.374 2.111 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=S)NCc1cccs1 84240699 LQKYNLUOCUTLNQ-UHFFFAOYSA-N 315.464 2.237 0 40 DEAB CC(C)N(C)CC(=O)NCC1CCN(Cc2ccccc2)CC1 63583445 DTMZTGRNMNVSBV-UHFFFAOYSA-N 317.477 2.355 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1nc2ccccc2s1 4392384 HVSJUOBUAFFKKF-SECBINFHSA-N 310.400 2.060 0 40 DEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCOC[C@@H]2C)n1 65499974 VJPAECZTDKIRNC-ZDUSSCGKSA-N 315.373 2.050 0 40 DEAB CCc1nnc2n1C[C@@H](Nc1nccc(C(F)(F)F)n1)CC2 97199281 LPDSMFZGEZNUIZ-QMMMGPOBSA-N 312.299 2.076 0 40 DEAB NC(=O)CN(C(=O)CCc1c(F)cccc1F)C1CCCC1 65515810 RWSOCXIAZGMFBG-UHFFFAOYSA-N 310.344 2.154 0 40 DEAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(=O)n(C)c2)c1 65537533 VGXCBPVETJKKEU-MRXNPFEDSA-N 312.369 2.371 0 40 DEAB Cc1noc(C)c1CN1C(=O)N[C@](C)(c2ccccc2F)C1=O 65537842 AERZBQKFFQGAJH-MRXNPFEDSA-N 317.320 2.398 0 40 DEAB COc1ccccc1CN1CCC[C@H](CNCCN(C)C)C1 19735522 OZPAOOQAVTXKOP-MRXNPFEDSA-N 305.466 2.058 0 40 DEAB in-vitro O=C(Nc1n[nH]c(CCC2CCCC2)n1)c1[nH]nc2c1CCC2 95477909 IZZAGWJXGWHQRT-UHFFFAOYSA-N 314.393 2.392 0 40 DEAB CC(C)Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)[nH]n1 71796753 UDKHTINGQPKFLE-OAHLLOKOSA-N 301.394 2.319 0 40 DEAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@@H]1CCC[C@@H]1CO 96434705 RUMQNVMFIWRJEB-DGCLKSJQSA-N 318.352 2.294 0 40 DEAB CCCn1nnnc1CN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 71893645 CUFRJSIHDZOSOT-KEYYUXOJSA-N 315.421 2.434 0 40 DEAB COCCn1ccc2cc(NC(=O)N3CCC[C@@H](O)C3)ccc21 71803395 HJEXSYVIXLYWHO-OAHLLOKOSA-N 317.389 2.276 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCN(CC3CCOCC3)CC2)c1 71903155 IQGAFERSZSMQCO-UHFFFAOYSA-N 316.445 2.488 0 40 DEAB Cn1ncc2c1CCC[C@H]2NS(=O)(=O)Cc1ccccc1F 69328186 IAOCNLPXPQFJKG-CQSZACIVSA-N 323.393 2.056 0 40 DEAB O=C(NCCC(=O)N1CCCCC1)NCC1(C2CC2)CCC1 95434311 CNHBCQQFRCBJEG-UHFFFAOYSA-N 307.438 2.269 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)[C@@H]1CN 70177382 UJEVTHCZDHFVNZ-DTWKUNHWSA-N 308.856 2.149 0 40 DEAB O=C(CCn1ccnn1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69537202 VRSJEASVHFIVFS-YPMHNXCESA-N 324.306 2.359 0 40 DEAB CC[C@@H](C)NC(=O)COC(=O)c1cc(Cl)c2c(c1)OCO2 8546811 UUEBTXGIAOAEEH-MRVPVSSYSA-N 313.737 2.140 0 40 DEAB CCN(Cc1c(F)cccc1F)C(=O)c1ccc(=O)n(C)c1 69778222 IYECQEYLKUJDOL-UHFFFAOYSA-N 306.312 2.326 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)c1ncccc1O 69738091 SWSOASPQQNVVFX-UHFFFAOYSA-N 311.135 2.415 0 40 DEAB O=C(Cc1ccccc1F)NC[C@H](Cc1ccccc1)C(=O)O 97018638 ITFTYGFLFLMEES-HNNXBMFYSA-N 315.344 2.428 0 40 DEAB COc1ccc([C@@H](CO)N(C)C(=O)Cc2cccs2)cc1 97046424 QTEPZPAFHSRNJB-OAHLLOKOSA-N 305.399 2.491 0 40 DEAB O=C(NCCc1cc(F)c(F)c(F)c1)N1CCC[C@@H](CO)C1 97058606 DLRZZRHEKNYGFE-LLVKDONJSA-N 316.323 2.060 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(c1cnc3ccccc3n1)CC2 95400786 NXDILPQVSSWZPI-CVEARBPZSA-N 313.401 2.386 0 40 DEAB CC[C@@H](NC(=O)NC[C@@H](O)c1cnn(C)c1)c1ccc(C)cc1 73496824 PJEWLJDEHSKDBM-HZPDHXFCSA-N 316.405 2.212 0 40 DEAB CC(C)[C@@H](C(=O)NC/C=C/c1ccccc1)N1CCCC1=O 95958845 JQPJBPBYRIHXCC-BHMZLHOFSA-N 300.402 2.463 0 40 DEAB O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cscn1 95992890 JNBLXEZSLARPRJ-UHFFFAOYSA-N 303.322 2.243 0 40 DEAB COc1ccc(Br)c(CC(=O)NCc2ncc[nH]2)c1 89432595 NSEORZXTABTKOT-UHFFFAOYSA-N 324.178 2.040 0 40 DEAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@H]3CC=CC[C@H]3C2)C1 89598086 QWPSKXLNZVLJHH-OWCLPIDISA-N 302.418 2.060 0 40 DEAB CC(=O)N1CSC[C@@H]1C(=O)N1CCc2ccc(F)cc2[C@H]1C 89941491 NJABACYXNUVUFL-MEBBXXQBSA-N 322.405 2.193 0 40 DEAB CCCC(=O)NCC(=O)N[C@@H]1C[C@@H](OCC)C12CCCCC2 76042219 UHNOAOHNWJITHU-ZIAGYGMSSA-N 310.438 2.147 0 40 DEAB CC(C)N(C[C@H]1CCCN(Cc2ccccc2)C1)C(=O)[C@H](C)N 79404534 PYZNTYXCXWJKQO-WMZOPIPTSA-N 317.477 2.483 0 40 DEAB CCS(=O)(=O)[C@@H]1[C@H](C(N)=S)[C@@H]1c1ccc(Cl)cc1 218576304 ZAJGTHKBHUDZNN-AXFHLTTASA-N 303.836 2.143 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)CN 79424367 SLSLEVBACFIQHJ-KRWDZBQOSA-N 303.450 2.237 0 40 DEAB CCn1nc(C)c(NC(=O)c2nnc3ccc(C)cc3n2)c1C 46088601 FEJAUUQNWWRCKC-UHFFFAOYSA-N 310.361 2.419 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](CN(CC(=O)O)C2CC2)C1 79392422 GQCKPNSFSNCUHU-GFCCVEGCSA-N 312.410 2.183 0 40 DEAB CC(C)OC(=O)Cn1nc(-c2cccnc2)nc1-c1cccnc1 40174377 VOPHRWAYXNPNRB-UHFFFAOYSA-N 323.356 2.354 0 40 DEAB CCCCOc1ccc2cc(S(=O)(=O)NCCO)ccc2c1 41105585 ZZSDQUWFLRBHES-UHFFFAOYSA-N 323.414 2.289 0 40 DEAB CN(C)c1noc([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 194434782 GLUZESUQNFFMOL-SNVBAGLBSA-N 306.391 2.217 0 40 DEAB COc1ccc(-c2noc(C(=O)N3CCC3)c2[C@H](C)O)cc1 225429379 UFXCCEKNGPQFJS-JTQLQIEISA-N 302.330 2.249 0 40 DEAB biogenic,in-vitro Cc1csc(C2(NCC(=O)NCC(F)(F)F)CCCC2)n1 81608074 SMKBMZHBNBOLSN-UHFFFAOYSA-N 321.368 2.489 0 40 DEAB C[C@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1ccc(Cl)s1 135499149 FYHLBEBYJXRMQE-PSASIEDQSA-N 309.840 2.341 0 40 DEAB C[C@@H](O)CNc1nc2ccccc2n1CCO[C@@H]1CCCCO1 225663724 HLPPFEPJJAARLO-CZUORRHYSA-N 319.405 2.372 0 40 DEAB Cc1ccn(C)c(=O)c1NC(=O)NC[C@](C)(O)C1CCCCC1 192318983 HUEMNICHLQUYPS-KRWDZBQOSA-N 321.421 2.147 0 40 DEAB CS(=O)(=O)Nc1cccc2c1CCCN2Cc1ccccn1 96424152 YTCCEALJMGEICD-UHFFFAOYSA-N 317.414 2.406 0 40 DEAB COc1ccc(/C(C)=C/C(=O)N2CCCC[C@H]2CC(N)=O)cc1 96454249 BYZPLTFGTNDJDN-FQNOHDAGSA-N 316.401 2.355 0 40 DEAB O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@H]1Cc1ccccc1 96200353 IAJCWEDYHQQVTJ-IRXDYDNUSA-N 317.410 2.053 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](Nc3ccnc(C)n3)C2)c1 96449455 MXBSNZSBRLKZMH-ZDUSSCGKSA-N 314.389 2.493 0 40 DEAB CS(=O)(=O)c1nccn1Cc1csc(-c2ccoc2)n1 96447814 BLLTYMRARWTUBY-UHFFFAOYSA-N 309.372 2.051 0 40 DEAB CCO[C@H]1CC[C@H]2[C@@H]1OCCN2C(=O)c1ccc(F)c(OC)c1 96041324 VGKLIPMCPPSGCF-DZKIICNBSA-N 323.364 2.243 0 40 DEAB C[C@@H](NCC1(O)CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 95422362 DLFZQANKOPRKOD-AEFFLSMTSA-N 318.461 2.171 0 40 DEAB CNC(=O)N[C@H]1CC2(CCN(C(C)=O)CC2)c2ccc(C)cc21 96241804 XPGBSJGHYXTVKY-INIZCTEOSA-N 315.417 2.249 0 40 DEAB CN(C(=O)c1cc(F)c(Cl)cc1F)C1(C(N)=O)CCCC1 97233089 VZNDNMJIWWZHPR-UHFFFAOYSA-N 316.735 2.488 0 40 DEAB COCCS[C@@H](C(N)=O)c1cccc(Br)c1 95448544 PJDZTOLOVYDJDH-SNVBAGLBSA-N 304.209 2.355 0 40 DEAB CCN1CCN(c2ccc(Nc3cc(NC)ncn3)cc2)CC1 95917553 DYLFXITZFJHFFJ-UHFFFAOYSA-N 312.421 2.404 0 40 DEAB CC[C@@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)C1 245338790 ONZAQKNPCYRFRR-SYQHCUMBSA-N 316.467 2.172 0 40 DEAB CCOC(=O)[C@@H]1CN(N2CCCC2)c2cc(F)c(F)cc2C1=O 255189490 QESBKAMKJZHTEZ-LLVKDONJSA-N 324.327 2.158 0 40 DEAB Cc1cc(F)ccc1CC(=O)N1CCC2(CC1)OCCC[C@@H]2O 257298132 RKIBJLYOLGLSKP-INIZCTEOSA-N 321.392 2.209 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)c1ccccc1S(C)(=O)=O 41820610 INZBVMMEIZXKSV-LBPRGKRZSA-N 321.398 2.434 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)C1 257344768 ZYPJMURBTCNHKL-NSHDSACASA-N 309.366 2.035 0 40 DEAB CC(C)C(=O)N[C@H]1CCN(CCCc2ccccc2)CC[C@@H]1O 257214211 CLBFAUUVSDXZBM-ROUUACIJSA-N 318.461 2.217 0 40 DEAB Cc1nccn1-c1ncc(NC(=O)[C@@H](C)Oc2ccccc2)cn1 85555560 HPRBMJZSKJWIJU-GFCCVEGCSA-N 323.356 2.377 0 40 DEAB CCOC(=O)CC(C)(C)N(C)S(=O)(=O)c1cccs1 390835532 PRVKQPBYYPZYCH-UHFFFAOYSA-N 305.421 2.100 0 40 DEAB Cc1ccc(NC(=O)CN(C)Cc2nc(C3CC3)nn2C)cc1 579832227 QSHQCWUNLICKDS-UHFFFAOYSA-N 313.405 2.071 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cccnc1-c1cnn(C)c1 575607759 JNAIBCKMEMZXRA-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB COC(=O)C(=O)c1c[nH]c2c(F)ccc(Br)c12 669369638 DGWAVIHRBBIVFM-UHFFFAOYSA-N 300.083 2.425 0 40 DEAB CNC(=O)C1CCN([C@H](C(=O)OC)c2ccccc2Cl)CC1 43610303 GFAQVZBESFLYFW-AWEZNQCLSA-N 324.808 2.012 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3ccncc3)C2)nc1 1775996046 SDHJZSINCDABSZ-CQSZACIVSA-N 312.373 2.111 0 40 DEAB CC1CCN(S(=O)(=O)N(Cc2ccccn2)C2CC2)CC1 48344043 PXUDVHROIFVSJV-UHFFFAOYSA-N 309.435 2.023 0 40 DEAB COc1ccccc1OCCN(C)C(=O)Nc1nncs1 56527977 XYTAGTUQKDEDMO-UHFFFAOYSA-N 308.363 2.089 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)Cc2ccn(C(C)C)n2)no1 76051359 OMSCPRMMYGWHJG-ZDUSSCGKSA-N 303.366 2.062 0 40 DEAB C[C@H](NC(=O)[C@H]1CCOc2ccccc21)c1nnc2ccccn12 76773467 NHPFJBUYPCLBBG-JSGCOSHPSA-N 322.368 2.473 0 40 DEAB Cc1nc(C2(NC(=O)c3cc(C4CC4)[nH]n3)CCCC2)no1 89718168 BOQLPKVIKXPHAN-UHFFFAOYSA-N 301.350 2.178 0 40 DEAB O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1cccc2ccccc12 95441176 BAPWNNZDNUTWMQ-ZFWWWQNUSA-N 305.399 2.279 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2csc(C(C)C)n2)CC1 95972749 JQLKMNCZMXKAGM-CYBMUJFWSA-N 312.435 2.012 0 40 DEAB CC(C)S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 9173551 MLNRYGFGZHDPTF-UHFFFAOYSA-N 312.391 2.194 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2ccccc2O)c1 5785180 HOFUCAWUDQRJLK-UHFFFAOYSA-N 301.298 2.196 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)c1ncnc(C)c1C 1888875874 ZLONAIPDTYYBQQ-UHFFFAOYSA-N 314.345 2.313 0 40 DEAB O=C(O)[C@@H]1CS[C@H](c2cc(F)ccc2Br)N1 76439 UAVIBZFBXKULRR-DTWKUNHWSA-N 306.156 2.376 0 40 DEAB O=C(NC1CC1)C1(Nc2nccs2)CCN(CC2CC2)CC1 2055746128 OPAZKECOJPHOQX-UHFFFAOYSA-N 320.462 2.078 0 40 DEAB Clc1cnc(NCCN2CCN(c3ccccc3)CC2)nc1 530643836 DPHXAAKHQPVEIT-UHFFFAOYSA-N 317.824 2.364 0 40 DEAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1ccncc1 30820073 NZKGNOFQOQBTPH-UHFFFAOYSA-N 306.329 2.322 0 40 DEAB C[C@@H](NC(=O)CCOc1ccc(F)cc1)c1nnc2n1CCC2 40522788 YHINGUXFZVNTBY-LLVKDONJSA-N 318.352 2.010 0 40 DEAB CCc1c(C(=O)NN2C(=O)[C@H]3CCCC[C@H]3C2=O)csc1C 101747691 NNCXVCNBBBLORB-TXEJJXNPSA-N 320.414 2.439 0 40 DEAB O=C(O[C@@H]1CCOC1=O)c1cnn(Cc2ccccc2Cl)c1 32850591 DVXHGADJISWDPT-CYBMUJFWSA-N 320.732 2.057 0 40 DEAB CC(C)c1noc(CCCC(=O)NCCc2ccccn2)n1 41688009 QHPCGSVRHLRPKM-UHFFFAOYSA-N 302.378 2.270 0 40 DEAB CCCc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)[nH]n1 53454828 PSLHBXCQVJAVQM-UHFFFAOYSA-N 303.366 2.073 0 40 DEAB C[C@H](Sc1ccc(Br)cc1)C(=O)NCCCO 97477930 OEOQEXSRGGTADV-VIFPVBQESA-N 318.236 2.428 0 40 DEAB C[C@@H](O)CNC(=O)c1ccc2nc(-n3cccc3)sc2c1 12409425 PTDSGUJYYTXPPT-SNVBAGLBSA-N 301.371 2.198 0 40 DEAB Cn1c(CNc2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O 78346759 DZBYDHIPCVEMTO-UHFFFAOYSA-N 321.380 2.363 0 40 DEAB CS[C@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 79003060 IFFVPUYOBAJMHH-SSDOTTSWSA-N 307.824 2.434 0 40 DEAB CCCCOc1ccc(C(=O)OCC(=O)NC(=O)OCC)cc1 3465078 DBFGYDVRABJCBM-UHFFFAOYSA-N 323.345 2.295 0 40 DEAB COC(=O)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6453251 DBKOQWZWFBEQSX-MKHNBGRSSA-N 323.370 2.220 0 40 DEAB CCN(CC)C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C 24546800 ISUJLBNKTGWNKY-UHFFFAOYSA-N 315.421 2.307 0 40 DEAB CCc1nnc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1C 106185823 RVVXIMZXKSDDDY-CYDGBPFRSA-N 322.478 2.411 0 40 DEAB Cc1[nH]c2c(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)cccc2c1C 24800920 JGPQBNSHMHIKBO-GFCCVEGCSA-N 320.414 2.044 0 40 DEAB O=C(CCn1cncn1)N[C@@H]1CCCC[C@H]1Oc1ccccc1 95396736 OFNBVUISECRLPW-HZPDHXFCSA-N 314.389 2.175 0 40 DEAB CCN(CCCNC(=O)[C@@H](NC(C)=O)C(C)C)c1ccccc1 9157646 XPPGCQBLFJSLPV-KRWDZBQOSA-N 319.449 2.180 0 40 DEAB CN1CCOc2ccc(NC(=O)c3cccs3)cc2C1=O 9828063 YYCNSWRCKSRDSQ-UHFFFAOYSA-N 302.355 2.465 0 40 DEAB CCc1cccc2c1N(S(=O)(=O)c1c(C)nn(C)c1C)CC2 58197315 WTFNOFGTIGHEPM-UHFFFAOYSA-N 319.430 2.351 0 40 DEAB COc1ccc(NC(=O)C2=C(C)C(C)(C)OC2=O)cc1OC 58226525 XJKPBARGRMCHPH-UHFFFAOYSA-N 305.330 2.294 0 40 DEAB CC[C@@H](c1ccccc1)[C@H]1CCCN1CCC(=O)NC(N)=O 58209693 JUAAMOIEKHZJIT-LSDHHAIUSA-N 303.406 2.230 0 40 DEAB CC(C)N1CCC(N(C)CC(=O)NCc2ccccc2F)CC1 58368112 OFMDNAAHMUYWJN-UHFFFAOYSA-N 321.440 2.247 0 40 DEAB CCc1nnsc1C(=O)NCc1noc(-c2ccccc2)n1 58325686 JTZAVVNXJORDEI-UHFFFAOYSA-N 315.358 2.081 0 40 DEAB Cc1cc(NC(=O)NC[C@H](O)COc2c(C)cccc2C)on1 58332978 CPLJRIVVNJKGPJ-ZDUSSCGKSA-N 319.361 2.161 0 40 DEAB O=C(NCc1cc[nH]n1)NCc1cc(Br)cs1 48235004 BLBJJDOOZRHUES-UHFFFAOYSA-N 315.196 2.233 0 40 DEAB COCCNC(=O)c1csc(COc2ccc(F)cc2)n1 12791347 MRHZQZFZYOFXQN-UHFFFAOYSA-N 310.350 2.237 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)O)c1cc(Cl)ccn1 36819524 YMKHAGMPMNIMOG-CYBMUJFWSA-N 304.733 2.161 0 40 DEAB COc1ccc(C=O)cc1OCC(=O)NCc1cccs1 3390962 SZPJSCMQNOHYTQ-UHFFFAOYSA-N 305.355 2.264 0 40 DEAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H]1CCOC1 48333451 RQXLQQSDVKKOQF-NSHDSACASA-N 303.387 2.280 0 40 DEAB Cc1ccc(C(=O)NCc2n[nH]c(=S)n2C(C)C)c(O)c1 66639284 GUUALEPJYLFPSN-UHFFFAOYSA-N 306.391 2.466 0 40 DEAB O=C(Cc1n[nH]c(=O)c2ccccc12)N1CCc2ccccc2C1 3438521 DTRQLULCKBNRBF-UHFFFAOYSA-N 319.364 2.051 0 40 DEAB CC[C@@H](C)[C@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1 6168231 JJXNHQHFZWUQCA-MFKMUULPSA-N 311.813 2.082 0 40 DEAB O=C(COC(=O)CSc1ccc2c(c1)CCC2)NC1CC1 5267245 FOUSIOAPFNINRE-UHFFFAOYSA-N 305.399 2.089 0 40 DEAB C[C@@H]1CCCN(C(=O)COc2ccc(-c3nnco3)cc2)C1 5209344 XRQHNYRECNKOTJ-GFCCVEGCSA-N 301.346 2.374 0 40 DEAB COc1ccc(Cl)cc1C(=O)N[C@@H]1CCc2nccn2C1 65487800 SJOSVKCUKQOFKL-LLVKDONJSA-N 305.765 2.290 0 40 DEAB Cc1cc(NC(=O)NCC2(N3CCOCC3)CCCCC2)no1 65412583 CKGBRMAUXAMCEV-UHFFFAOYSA-N 322.409 2.140 0 40 DEAB COCCOc1ccc(NC(=O)N[C@H](C)c2cccnc2)cn1 65415377 GJGQZQMBGBOHAU-GFCCVEGCSA-N 316.361 2.385 0 40 DEAB COc1c(CNCc2cn3cc(Cl)ccc3n2)c(C)nn1C 65554538 IHXTUGKIDCABAU-UHFFFAOYSA-N 319.796 2.328 0 40 DEAB Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2C)cc1 14153181 IQXHSTVNYOQBSH-UHFFFAOYSA-N 318.398 2.220 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 6905360 JSTYCRITINMBFJ-UHFFFAOYSA-N 324.446 2.276 0 40 DEAB CC(=O)N1CCCN(C(=O)CCCSC(C)(C)C)CC1 95435845 KDYIQYDELOCNNG-UHFFFAOYSA-N 300.468 2.379 0 40 DEAB COC[C@H](O)CNC(C)(C)Cc1ccc(Br)cc1 95431950 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C[C@H](NC(=O)NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCCO1 89894326 NPTPICFHFYUPKI-KKUMJFAQSA-N 321.421 2.283 0 40 DEAB O=C(CCCc1ccc2[nH]c(=O)[nH]c2c1)NC(C1CC1)C1CC1 89800422 FDCNJQAXJMIYKX-UHFFFAOYSA-N 313.401 2.484 0 40 DEAB CCCCn1cc(I)c(C(=O)OCC)n1 408716050 IJGJXOQVELNIFG-UHFFFAOYSA-N 322.146 2.465 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 306127221 FSDCFEBRYUVWTO-IIAWOOMASA-N 316.401 2.124 0 40 DEAB Cn1cnc(S(=O)(=O)N2CCC[C@H]2c2cccc(F)c2)c1 69114107 RAFRNPNTWBMZLS-ZDUSSCGKSA-N 309.366 2.085 0 40 DEAB Cc1ccncc1N1CCN(c2cc(NC3CC3)ncn2)CC1 519751889 XDTZIEIEFQZPDW-UHFFFAOYSA-N 310.405 2.081 0 40 DEAB Cc1ccc(-c2cc(CNC(=O)c3cccn(C)c3=O)no2)cc1 38752819 TVUSNDRSVAQCBK-UHFFFAOYSA-N 323.352 2.279 0 40 DEAB O=C(CC[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1cccnc1 32101215 RFHLHCQFMJIYNR-AWEZNQCLSA-N 324.340 2.201 0 40 DEAB CNC(=O)CCc1cc([C@@H]2CCCN(C(C)C)C2)nc(C)n1 72366384 RLQCRMADURDZQD-CQSZACIVSA-N 304.438 2.051 0 40 DEAB CC(C)CNC(=O)CSc1nccn1Cc1ccccn1 79038031 WVVBTQGVGULCMU-UHFFFAOYSA-N 304.419 2.191 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)NCC[C@H](O)c1ccco1 72243142 KPQJSZDNUGARCV-ZDUSSCGKSA-N 317.341 2.181 0 40 DEAB Cc1cc(C)c(C(=O)NCCCc2ccc(O)cc2)c(=O)[nH]1 81418962 KQABIGDHELGNDY-UHFFFAOYSA-N 300.358 2.060 0 40 DEAB COc1cc(NC(=O)c2cc(O)c(OC)cn2)cc(OC)c1 49550625 LQWWVXLVOOGULT-UHFFFAOYSA-N 304.302 2.065 0 40 DEAB O=S(=O)(NCc1cccc(F)c1)c1ccc2c(c1)OCCO2 43785652 PMGBATXLVJKDMX-UHFFFAOYSA-N 323.345 2.075 0 40 DEAB CC1(C)[C@H](NC(=O)c2c[nH]nc2-c2ccccn2)[C@H]2CCO[C@H]21 574947417 BMNDUAPFNWFMPE-VCTAVGKDSA-N 312.373 2.015 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(C(=O)N3CCc4ccccc43)[C@@H]2C1 193481593 ZVWZJNAWOISEHW-DJIMGWMZSA-N 316.401 2.437 0 40 DEAB CCc1cnc(CN(C)C(=O)N[C@@H]2CCN(CC3CC3)C2)s1 83231662 IXQPZZRQPHAHBT-CYBMUJFWSA-N 322.478 2.331 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2cc(C)cc(C)c2)c1=O 225966990 HEQWXIAKCXGSII-UHFFFAOYSA-N 314.341 2.229 0 40 DEAB Cc1cccc(NC(=O)C[C@H](C)NC[C@]2(O)CCSC2)c1 531738339 KJIXJNYQSKPLTF-XJKSGUPXSA-N 308.447 2.170 0 40 DEAB 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DEAB C[C@@H]1CN(C(C)(C)CNC(=O)COc2ccccc2)C[C@@H](C)O1 21055500 GPHNDXLEVHNSQR-HUUCEWRRSA-N 320.433 2.069 0 40 DEAB C[C@H](C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)n1ccnc1 52360680 ODFBRSVCYOATLI-IUODEOHRSA-N 303.337 2.183 0 40 DEAB COC(=O)c1cc(CNC(=O)Nc2cc(C)on2)ccc1OC 32841340 XDZMADFCEDYBAL-UHFFFAOYSA-N 319.317 2.100 0 40 DEAB CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 101887 UDRWDJAGOFNMBH-UHFFFAOYSA-N 320.374 2.016 0 40 DEAB COc1cccc2c1OC[C@@H](NC(=O)NCc1ccccc1)C2 78481388 WSCMQPPQZLFDHK-HNNXBMFYSA-N 312.369 2.498 0 40 DEAB COc1ccc([C@H](CNCc2cccnc2)N(C)C)cc1OC 22924281 LXDVGHVTFKNJIO-INIZCTEOSA-N 315.417 2.491 0 40 DEAB CCCNS(=O)(=O)c1ccccc1C(=O)NC1CCCCC1 1588714 KBAHDRRYMPNBHM-UHFFFAOYSA-N 324.446 2.437 0 40 DEAB COc1ccc(CC(=O)C(=O)O)cc1OCc1ccccc1 1767539 GMFXKTPSYBSNQM-UHFFFAOYSA-N 300.310 2.470 0 40 DEAB CS(=O)(=O)C1(C(=O)Nc2cccnc2Cl)CCCC1 78991871 ACRDTZNUQOUIBH-UHFFFAOYSA-N 302.783 2.031 0 40 DEAB CCCOc1cc(C)ccc1NC(=O)N[C@H](C)C(=O)NCC 47766020 BHERXVSBPVQQPV-GFCCVEGCSA-N 307.394 2.430 0 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SHUJOHRKDDRMNQ-UHFFFAOYSA-N 320.370 2.034 0 40 DEAB C[C@H](NC(=O)COc1ccccc1C(N)=O)c1cccs1 9247995 HQCGGPFTAZQSQT-JTQLQIEISA-N 304.371 2.103 0 40 DEAB CCOC(=O)c1cnn(C)c1NC(=O)/C=C/c1cccc(F)c1 10422574 MIUHXOBRJKYVTM-BQYQJAHWSA-N 317.320 2.388 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)C(C)(C)C)cc2n1 12337011 WLMXDELPLPXPRL-LBPRGKRZSA-N 302.378 2.453 0 40 DEAB CCCC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1O 13008059 URFDRWALKRYUGS-UHFFFAOYSA-N 314.407 2.161 0 40 DEAB COC(=O)C1CCN(C(=O)CSc2ccc(C)cc2)CC1 13608297 SKQKEVKTTKNATM-UHFFFAOYSA-N 307.415 2.499 0 40 DEAB COc1ccc(NC(=O)COCC(=O)Nc2ccccc2)cc1 13844751 BQJCVYKZWTWAHP-UHFFFAOYSA-N 314.341 2.289 0 40 DEAB NC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 14171341 RPGIJKCJQKVEOA-AWEZNQCLSA-N 316.744 2.381 0 40 DEAB O=c1n(Cc2ccccc2C(F)(F)F)nnn1-c1ccccc1 14245898 DICOLHOHRZYVIE-UHFFFAOYSA-N 320.274 2.496 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)Nc3nncs3)n2)cc1 15670009 VMUDPKIRALVZGN-UHFFFAOYSA-N 315.358 2.468 0 40 DEAB COc1ccc(OC)c(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)c1 17005791 XADZPTMUXGYNSI-JTQLQIEISA-N 309.362 2.164 0 40 DEAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)NC(C)C)CC1=O 17300442 DMYJTLPIAFEMHF-JTQLQIEISA-N 310.781 2.226 0 40 DEAB C[C@@H](NC(=O)c1ccc(O)nc1)c1ccc(-n2ccnc2)cc1 18048300 DOMKIJOIBIVLKG-GFCCVEGCSA-N 308.341 2.464 0 40 DEAB C[C@@H]1CCc2nn(CC(=O)Nc3cccc(F)c3)c(=O)cc2C1 21110509 ZFCHHAXCJHYQQG-LLVKDONJSA-N 315.348 2.146 0 40 DEAB CN1CCC(CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 22999720 LLSLKIJXNXAKME-UHFFFAOYSA-N 320.817 2.099 0 40 DEAB O=C(c1ccoc1)N1CCN(Cc2ccc3c(c2)CCO3)CC1 24137472 KTCGNWLMRQGJGW-UHFFFAOYSA-N 312.369 2.173 0 40 DEAB COCc1ccccc1CNC1=NS(=O)(=O)c2ccccc21 24740921 WWKAXRQAOBWVKN-UHFFFAOYSA-N 316.382 2.072 0 40 DEAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(-n2cnnn2)cc1 24760402 PZQIGLSNXMGXRW-ZDUSSCGKSA-N 307.357 2.496 0 40 DEAB O=C(OCCCc1ccccc1)c1ccc(-n2cnnn2)cc1 25404362 NJNUWMCDOAVGGX-UHFFFAOYSA-N 308.341 2.452 0 40 DEAB COC(=O)c1ccc2c(O)nc(CN3CCCCCC3)nc2c1 25539276 SOVMZPIRZQLPQJ-UHFFFAOYSA-N 315.373 2.498 0 40 DEAB O=C(CCN1CCN(c2cccc(Cl)c2)CC1)NC1CC1 26897909 QZBMVULMZPVNHP-UHFFFAOYSA-N 307.825 2.131 0 40 DEAB COC(=O)c1ccc(CN(C)C(=O)Nc2cc(C)on2)cc1 31661336 HDSMGBIZGBJDGO-UHFFFAOYSA-N 303.318 2.434 0 40 DEAB O=C(NC1CCCCCCC1)[C@@H](c1ccccc1)n1cnnn1 32095606 DJAXZGGKQAQGIE-MRXNPFEDSA-N 313.405 2.492 0 40 DEAB Cc1ccc(C(=O)N[C@H](C(=O)NC[C@H]2CCCO2)C(C)C)cc1 32975827 OEGCQYWZXAHBDG-CVEARBPZSA-N 318.417 2.045 0 40 DEAB CCOC(=O)c1cc(=O)[nH]c2c1c(C)nn2-c1ccccc1F 35655579 YADVXJXOTXJNOB-UHFFFAOYSA-N 315.304 2.338 0 40 DEAB CCONC(=O)[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 40017409 XJBHVGKPZMGMJS-SECBINFHSA-N 316.279 2.126 0 40 DEAB O=C(NCCN1CCOCC1)c1ccc(SC(F)F)cc1 40489168 SDYOXGOEBBTPOO-UHFFFAOYSA-N 316.373 2.063 0 40 DEAB Cc1cccc2c(=O)n(CCC(=O)N(C)[C@@H](C)C3CC3)cnc12 40490155 MVHLHDGDKKMPRE-ZDUSSCGKSA-N 313.401 2.352 0 40 DEAB O=C(NCC1CCCC1)c1cccc(N2CCCS2(=O)=O)c1 40509780 LCGGSWITZLEAHF-UHFFFAOYSA-N 322.430 2.147 0 40 DEAB Cn1cnnc1[C@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 40520079 DQKMUQJIAHFUNZ-VIFPVBQESA-N 312.299 2.008 0 40 DEAB CC(C)c1nc(CN2CCN(c3ccccc3)CC2)cc(=O)[nH]1 41648838 YBTIJFZGLKFYOJ-UHFFFAOYSA-N 312.417 2.216 0 40 DEAB Cc1nc2ccccc2c(=O)n1C[C@H](O)c1ccc2c(c1)OCO2 48303049 NORBLJOYOZTAFQ-HNNXBMFYSA-N 324.336 2.167 0 40 DEAB COC(=O)c1ccc(F)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 48383587 XDPGXURONKARCL-WDEREUQCSA-N 321.304 2.218 0 40 DEAB O=C(NC[C@@H]1COCCO1)Nc1cccc(-c2nccs2)c1 56776453 CKTHQBCQPCQLPR-CYBMUJFWSA-N 319.386 2.347 0 40 DEAB CCCN(CCc1ccccn1)C(=O)CCc1cnn(C)c1 61434448 CSVRWAMIYJYMHH-UHFFFAOYSA-N 300.406 2.229 0 40 DEAB Cc1ccc(CN2CCCC[C@H]2C(=O)N2CCOCC2)cc1 67230186 FYBGLQHLOHVVDZ-KRWDZBQOSA-N 302.418 2.208 0 40 DEAB O=C(NCc1cccs1)c1cn(Cc2ccc(F)cc2)nn1 67264124 HPAUCWXOAWAQRQ-UHFFFAOYSA-N 316.361 2.457 0 40 DEAB CN1CCO[C@H](CNCc2ccc(OC(F)(F)F)cc2)C1 69351425 PXFHRKMDJHCHHF-CYBMUJFWSA-N 304.312 2.005 0 40 DEAB Cc1cc(C)n(C2CN(CC[S@@](=O)c3ccccc3)C2)n1 69538003 UKXPHNMTHFXYJQ-NRFANRHFSA-N 303.431 2.164 0 40 DEAB Cc1noc(C)c1CNC[C@@H]1CCc2nnc(C(C)C)n2C1 69588744 APMMNKBXSDOIBW-ZDUSSCGKSA-N 303.410 2.359 0 40 DEAB Cc1cccc(OCCC(=O)N2CCn3c(C)nnc3C2)c1C 69615272 IKLXCSPEQWLIFK-UHFFFAOYSA-N 314.389 2.015 0 40 DEAB CC(C)C(=O)NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 69703200 HXALXSFNCRNGGQ-UHFFFAOYSA-N 313.272 2.305 0 40 DEAB O=C(Cc1ccccc1Cl)N1CCC[C@H](n2cncn2)C1 71847084 LCJRSGKJMMWIPC-ZDUSSCGKSA-N 304.781 2.338 0 40 DEAB Cn1nc([C@@H]2CCCN(C(=O)C3CCCC3)C2)c2nccnc21 72393906 BNRACCBQPNZXRX-CYBMUJFWSA-N 313.405 2.260 0 40 DEAB O=C(Nc1nccs1)c1nnn(-c2ccc(Cl)cc2)n1 75163655 RLFUHKATRUYOGK-UHFFFAOYSA-N 306.738 2.025 0 40 DEAB CN(C[C@@H](c1cccs1)N1CCOCC1)C[C@H]1CCCO1 75603731 NVIGZZYRBSCWAG-CABCVRRESA-N 310.463 2.232 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2COc3ccccc3C2)no1 76043051 SZIYKEVMWBMQCV-KGLIPLIRSA-N 313.357 2.293 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)n[nH]1 76059868 XUULXHKCNPCHRZ-CQSZACIVSA-N 301.394 2.101 0 40 DEAB CN(C)c1ncccc1NC(=O)Cn1cc(-c2ccccc2)nn1 83854165 QIMKXLXXIYSVEC-UHFFFAOYSA-N 322.372 2.045 0 40 DEAB CS(=O)(=O)CCC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 83984579 YFQRXKYXTOZEDN-WBVHZDCISA-N 321.442 2.349 0 40 DEAB O=C1NC2(CCOCC2)C(=O)N1CCCc1ccc(Cl)cc1 88520194 JYMKSNVGNQJVNK-UHFFFAOYSA-N 322.792 2.374 0 40 DEAB COc1ccc(OCCN(C)c2ccccc2)c(C(N)=O)c1 89346371 QZHYQHFJMAWSEP-UHFFFAOYSA-N 300.358 2.309 0 40 DEAB CCS(=O)(=O)CC(=O)N1c2ccccc2CC[C@@H]1C(C)C 89828350 FYXHSDFRZJKLRX-CQSZACIVSA-N 309.431 2.425 0 40 DEAB COc1ncnc(N(C)C)c1NC(=O)[C@H](C)c1ccsc1 89913465 HUIVRPPYQVAIGZ-SECBINFHSA-N 306.391 2.355 0 40 DEAB Cc1cccnc1COc1ccc(S(=O)(=O)N(C)C)cc1 92855851 JNEHPFCOZYYVHN-UHFFFAOYSA-N 306.387 2.219 0 40 DEAB O=C(NC1(c2ccccc2)CC1)[C@H]1CCCN(C(=O)C2CC2)C1 95397006 DMVRAOAUAOEBCE-HNNXBMFYSA-N 312.413 2.441 0 40 DEAB O=C(NC[C@@H]1OCCc2sccc21)N1CC[C@@]2(CCOC2)C1 95410609 GYLVJBPYMONTGG-XJKSGUPXSA-N 322.430 2.184 0 40 DEAB O=C(c1cnn(CCN2CCCCC2)c1)N1C[C@H]2CCC[C@H]2C1 95410763 VSILUGHFGOPLJV-IYBDPMFKSA-N 316.449 2.241 0 40 DEAB CCCc1nn([C@H]2CCN(c3c(F)cccc3F)C2=O)c(=O)o1 95416463 AVEUIMCDSSGQDQ-NSHDSACASA-N 323.299 2.045 0 40 DEAB Cc1cncc(C(=O)N(CCN(C)C)Cc2cccc(O)c2)c1 95445871 QKGCYQLRGXADJR-UHFFFAOYSA-N 313.401 2.300 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(C(C)(C)O)s2)cc1 95464813 NYOZFBIPXQSZNJ-SNVBAGLBSA-N 321.402 2.480 0 40 DEAB CCOC(=O)c1cc(NC(=O)COc2ccccc2Cl)[nH]n1 95465003 BBIYNFDXYRNBKS-UHFFFAOYSA-N 323.736 2.257 0 40 DEAB COc1cncc(/C=C/C(=O)N[C@H](C)c2c(C)nn(C)c2C)c1 95468382 JNYNLAZVKDVACO-XUIVZRPNSA-N 314.389 2.331 0 40 DEAB Cc1nccn1-c1ccc(NC(=O)c2ccc[nH]c2=O)cc1F 95955094 PEJABMIMXTXSSF-UHFFFAOYSA-N 312.304 2.260 0 40 DEAB Cc1cccc(OC[C@@H](O)CN2CCC[C@H](c3ncc[nH]3)C2)c1 95972694 SMZPHJMOQPFCLU-HOTGVXAUSA-N 315.417 2.337 0 40 DEAB CC(=O)Nc1cccc(CN2CCN(Cc3ccncc3)CC2)c1 95977224 NAKJEVOQPAUSLI-UHFFFAOYSA-N 324.428 2.358 0 40 DEAB CC(C)N(C)C[C@H]1CC[C@@]2(COCCN(Cc3ccco3)C2)O1 96052302 ZMLABWUUYFWIMN-QZTJIDSGSA-N 322.449 2.370 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96094127 RRAJQHQFHATRPL-YOEHRIQHSA-N 311.385 2.386 0 40 DEAB Cc1nc(CN2CCC3(C2)CN(C(=O)c2ccc[nH]2)C3)cs1 96202543 ZLVXCPFSPIUWDA-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB CCCn1nc(C(=O)N2CCC3(CCCC3)CC2)ccc1=O 96414630 SZPXBJGEOKFAAZ-UHFFFAOYSA-N 303.406 2.450 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)N[C@H](C)CN2CCCC2=O)s1 96415551 XETWEFIJABMMCZ-NWDGAFQWSA-N 323.462 2.298 0 40 DEAB COc1cccc(CNc2ccc(OC)c(-n3cnnn3)c2)c1 96427570 ZNXJZAJAOSWKCV-UHFFFAOYSA-N 311.345 2.292 0 40 DEAB Cc1occc1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 96432140 GBEOPZVTYKXBKD-DJIMGWMZSA-N 324.380 2.475 0 40 DEAB O=C(N[C@H]1CCN(CCCc2ccccc2)C1=O)c1ccncc1 96455958 VROPDOMHIFDFIE-KRWDZBQOSA-N 323.396 2.045 0 40 DEAB CCS[C@H]1CCCC[C@H]1NS(=O)(=O)Cc1ccon1 96456157 XAZCIVSFDMHFPM-NEPJUHHUSA-N 304.437 2.158 0 40 DEAB Cc1cccc(C(=O)Nc2cccc(C(=O)N(C)C)n2)c1F 97015024 MJVOTCWCPMBUIS-UHFFFAOYSA-N 301.321 2.483 0 40 DEAB CC(C)c1cc(C(=O)N[C@@H](C(=O)O)c2ccccc2)n(C)n1 97017989 IIMTVPVSUQJZGE-CQSZACIVSA-N 301.346 2.099 0 40 DEAB CCc1cnccc1C(=O)OCc1cc(=O)n2cc(C)ccc2n1 97080353 GYFOODSBWCDKDK-UHFFFAOYSA-N 323.352 2.317 0 40 DEAB NC(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H]1C[C@@H]1c1cccnc1 97101459 TVYWFSDDSDKCLK-HZPDHXFCSA-N 321.380 2.263 0 40 DEAB O=C(NC1CCN(C(=O)C2=CCCCC2)CC1)c1cccnc1 97103898 JWOBSRQEZFDFIQ-UHFFFAOYSA-N 313.401 2.303 0 40 DEAB Cn1c(N2CCC[C@H]2C(=O)NCc2ccco2)nc2ccccc21 97104419 CUCFRPTZTJYVNL-INIZCTEOSA-N 324.384 2.452 0 40 DEAB O=C(CN1CCCCC1=O)NCCCn1ccc2ccccc21 97288133 VOJWBLYOVCGMKT-UHFFFAOYSA-N 313.401 2.160 0 40 DEAB CCOC(=O)[C@H]1CS[C@@H](c2ccc(Br)o2)N1 98072866 KOHGGTSJYHJBKZ-MUWHJKNJSA-N 306.181 2.309 0 40 DEAB Cn1ccs/c1=N\C(=O)COc1cccc2c1OC(C)(C)C2 103196301 XVXFGIDMQUBBSQ-ICFOKQHNSA-N 318.398 2.306 0 40 DEAB C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)Nc2nc3ncccn3n2)C1 110597404 MJHBWQRLDHUUDJ-IJLUTSLNSA-N 303.366 2.047 0 40 DEAB CCOC(=O)COc1c(C)cc(Br)nc1[N+](=O)[O-] 117188014 FJOKFCLOJJGZOT-UHFFFAOYSA-N 319.111 2.003 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1O 118241286 BZTXNBTZLOOGHU-HUUCEWRRSA-N 306.406 2.147 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)N2CC[C@H](CN(C)C)C2)c1 129708301 PMPXRLIJLQZSBO-MRXNPFEDSA-N 319.449 2.275 0 40 DEAB O=C(NCCn1ccc2ccccc21)[C@@H]1CCc2[nH]cnc2C1 225511833 HXQDTRSMCJRLKI-CQSZACIVSA-N 308.385 2.286 0 40 DEAB c1cncc(N2CCO[C@H]3CCN(Cc4ccc[nH]4)CC[C@H]32)c1 247876460 AODWECBXTYRADR-MSOLQXFVSA-N 312.417 2.280 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@@H]2C[C@H]3CC[C@H]2C3)cc1 254504692 YXLNLAMPLZWYKF-IHRRRGAJSA-N 322.430 2.419 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(-n3cccn3)nc2)n1 257258556 KUNSQCKWUAFADF-CQSZACIVSA-N 322.372 2.276 0 40 DEAB C[C@@]1(c2cc[nH]n2)CCCN(S(=O)(=O)c2ccccc2)C1 257263300 LPEFVTWJOWMYSK-OAHLLOKOSA-N 305.403 2.152 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 257320331 VWHDEECTVUJCER-CQSZACIVSA-N 321.384 2.151 0 40 DEAB O=C(O)CCC1CCN(C(=O)c2cnn3ccccc23)CC1 318361669 ZBVNMXNIWOBMKW-UHFFFAOYSA-N 301.346 2.051 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC(CF)C2)C1 390827008 RZOCQZDPDACZIY-LBPRGKRZSA-N 300.374 2.061 0 40 DEAB NNc1nc2ccccc2c(=O)n1Cc1ccccc1Cl 408712682 HPEWRANQTMPZNR-UHFFFAOYSA-N 300.749 2.384 0 40 DEAB O=C(CCc1cncs1)N[C@@H]1COc2ccc(F)cc2C1 560749378 AOLHGWZYGSLOAP-LBPRGKRZSA-N 306.362 2.335 0 40 DEAB CCc1ccc(C(=O)N2CC[C@@H]3OCCC[C@]3(COC)C2)cn1 1565545276 CMNLPVHXZVGCKG-FUHWJXTLSA-N 318.417 2.302 0 40 DEAB COCc1cnc2n1CCN(C(=O)c1csc(C)n1)[C@H]2C 1565554009 IWLADWCRPUZRRQ-VIFPVBQESA-N 306.391 2.011 0 40 DEAB O=C(c1cccc(F)c1)N1CCC(Oc2ncc(F)cn2)CC1 1775973593 OTPAAXHYQXJYEF-UHFFFAOYSA-N 319.311 2.438 0 40 DEAB CC(C)NC(=O)c1noc2c1C[C@@H](NCc1ccccc1)CC2 2055739160 MOINTBSVMNGHMX-AWEZNQCLSA-N 313.401 2.460 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 83051 RXJNXCXDFOJRHB-BKUVIOGVSA-N 309.243 2.148 0 40 DEAB COC[C@@H](C)NC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 79569127 MFLGOIAOANSBAY-RISCZKNCSA-N 312.797 2.458 0 40 DEAB C=Cc1cccc2c1O[C@]1(C)NC(=S)N[C@H]2[C@@H]1C(=O)OCC 6655923 PUVKVEHSIJXBBP-HSMVNMDESA-N 318.398 2.136 0 40 DEAB Cn1c(=O)c(C(=O)C[C@H](N)c2ccco2)c(O)c2ccccc21 104827651 HLNWHVAGYJGIHI-NSHDSACASA-N 312.325 2.110 0 40 DEAB CCC(CC)N(CCOC)C(=O)c1ccc(NC(N)=O)cc1 43271838 HNTNYKUCSAASQK-UHFFFAOYSA-N 307.394 2.454 0 40 DEAB O=C(CSc1ccncc1)NCc1ccc2c(c1)OCO2 12528471 SRGKXSPFWHHJHX-UHFFFAOYSA-N 302.355 2.219 0 40 DEAB c1cnc(OC[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2ccco2)nc1 107747231 OVDXPQXHVQTEKD-IMJJTQAJSA-N 315.373 2.128 0 40 DEAB Cc1occc1C(=O)N1CCC2(CC1)C[C@@H](N(C)C)CCO2 108534464 SFSAPDPFZABWKJ-AWEZNQCLSA-N 306.406 2.303 0 40 DEAB CCCc1noc([C@@H](C)N2CCC[C@H](C(=O)NCC3CC3)C2)n1 47978832 BTASTCZWWXUQOS-OCCSQVGLSA-N 320.437 2.321 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CCN(C(=O)C2CC2)CC1 25163825 AUAHUCZIWNSOQO-UHFFFAOYSA-N 322.792 2.043 0 40 DEAB CCOC(=O)Cc1csc2[nH]c(=O)c3c(C)c(C)sc3[n+]12 102850269 UGYILUKUQNGSDA-UHFFFAOYSA-O 323.419 2.112 0 40 DEAB N#C/C(C(=O)NCc1ccccc1)=C1\C(=O)Nc2ccccc21 1409213 FSQBLLYNQWNUJB-JQIJEIRASA-N 303.321 2.232 0 40 DEAB CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 3219275 XSUNHFXOEAMLBL-UHFFFAOYSA-N 319.357 2.354 0 40 DEAB O=C(Cc1csc(-c2ccccn2)n1)NCc1cccnc1 25705942 CLZRTCHXCVLNCH-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB O=C(CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 53185001 ILMNUQFYIARLST-ZBFHGGJFSA-N 308.381 2.150 0 40 DEAB biogenic C[C@H]1CN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)CCO1 57446301 MKZYTROEDUZNTI-NSHDSACASA-N 305.765 2.387 0 40 DEAB NC(=O)CN(Cc1ccsc1)Cc1ccc2c(c1)OCCO2 48276065 FOSMOULVYRVJOI-UHFFFAOYSA-N 318.398 2.007 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NCCc1c[nH]c2ccccc12 10042775 WWMHEEILANSZKZ-UHFFFAOYSA-N 310.401 2.420 0 40 DEAB O=C1C(=O)N(Cc2ccccc2)C(=S)N1Cc1ccccc1 2123042 UVKZSGGKWSWVAK-UHFFFAOYSA-N 310.378 2.343 0 40 DEAB C[C@@H](CCc1ccccc1)CC(=O)NCCN1CCN(C)CC1 58300718 OURGTTXMARCXLO-KRWDZBQOSA-N 317.477 2.009 0 40 DEAB Cc1csc(SCC(=O)NC(=O)NCc2ccco2)n1 3302300 QUPKKOJCOVVQDI-UHFFFAOYSA-N 311.388 2.163 0 40 DEAB COc1cc(CNC(=O)C2CC2)ccc1OC[C@@H]1CCCO1 36395945 NVPAQXOMCFENAG-AWEZNQCLSA-N 305.374 2.279 0 40 DEAB COC[C@@H](C)N[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 28622001 NSTSZPKXQFXAJC-IAQYHMDHSA-N 303.362 2.287 0 40 DEAB COc1cc(CN(C)C(=O)[C@H]2CCCO2)ccc1OC(F)F 48343507 VAOJWXXUQPCBPP-GFCCVEGCSA-N 315.316 2.434 0 40 DEAB Cc1ccc([C@@]2(C)NC(=O)N(C[C@@H](O)c3ccccc3)C2=O)cc1 11377354 MJUDWDYDLJZEMB-VQIMIIECSA-N 324.380 2.496 0 40 DEAB COc1ccc(CCNC(=O)c2ccccc2O)cc1OC 11639217 OQOJZCFTMFIEKB-UHFFFAOYSA-N 301.342 2.382 0 40 DEAB O=C(NOCc1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 46319764 FEGOHKPTVKCZTI-HNNXBMFYSA-N 310.353 2.288 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c(C)c1 13141857 MQKVIUPDYTWHTI-KBPBESRZSA-N 312.369 2.193 0 40 DEAB COc1ccc2c(c1)c1ncn(Cc3cccnc3)c(=O)c1n2C 13207170 ISZMQPFSAIIRRL-UHFFFAOYSA-N 320.352 2.340 0 40 DEAB COCCCCCS(=O)(=O)c1ncccc1Br 95426036 JCCMGQUGTOZJOE-UHFFFAOYSA-N 322.224 2.435 0 40 DEAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CCS(=O)(=O)C1 14181784 QKNHGXDALTXRMF-NSHDSACASA-N 322.411 2.183 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2ncc(C)s2)c1 409205720 SPVVFSNURCKIIS-UHFFFAOYSA-N 306.343 2.256 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975706 WLWPFKGLXCHJCS-ZDUSSCGKSA-N 302.374 2.475 0 40 DEAB O=C(O)[C@@H]1CCN(Cc2cc(F)cc(Br)c2)C1 93996322 TVPZCRUGJUZGBG-SECBINFHSA-N 302.143 2.495 0 40 DEAB O=C(NC1CCCCCC1)[C@H]1CC(=O)N(Cc2ccco2)C1 7264519 ZIQXZSDEDKZBTN-ZDUSSCGKSA-N 304.390 2.467 0 40 DEAB O=c1cc(Cn2ccnc2-c2ccccn2)nc2sccn12 71888744 POWOGGMAMUTIFD-UHFFFAOYSA-N 309.354 2.063 0 40 DEAB CC(C)n1cnnc1SCC(=O)Nc1ccc2cn[nH]c2c1 68099388 JTQWECBSRIFJBV-UHFFFAOYSA-N 316.390 2.466 0 40 DEAB Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)n1 71821306 KGNGQTACKUCTST-LBPRGKRZSA-N 324.384 2.160 0 40 DEAB CC[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@@H]1CCCO1 90857547 MSSCMYBIZDMZRI-RCBQFDQVSA-N 301.394 2.271 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1cccc(F)c1 69369882 AFEGHSYPEPLVRM-QWHCGFSZSA-N 321.396 2.414 0 40 DEAB C[C@H](C(=O)NC1CC1)N1CCC[C@H](CN2CCCCCC2)C1 69520278 GFSQRHSKCKORIG-HZPDHXFCSA-N 307.482 2.242 0 40 DEAB CC(C)N(C)CCNC(=O)NCc1ccccc1-n1cccn1 69601874 YFPNDLMYSSVPNT-UHFFFAOYSA-N 315.421 2.012 0 40 DEAB CCCC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 69652709 VIJRTUDXADMXMS-UHFFFAOYSA-N 324.446 2.278 0 40 DEAB CNC(=O)Cc1ccc(NS(=O)(=O)[C@@H](C)CC(C)C)cc1 69844543 FTMVXMCSFOCTIN-LBPRGKRZSA-N 312.435 2.151 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cs1 69814998 GHBAXJXQSVGISA-UONOGXRCSA-N 307.463 2.333 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C[C@H](O)c1ccc(F)cc1 69875342 MCMFPPSTLUDIQF-KURKYZTESA-N 320.408 2.334 0 40 DEAB Cc1cnn(CCNC[C@@H](O)COc2c(C)ccc(C)c2C)c1 69979252 XEWVNTXKBGLQCN-QGZVFWFLSA-N 317.433 2.146 0 40 DEAB O=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)o1 94554748 RDRRMSZIDDADPK-UHFFFAOYSA-N 321.763 2.171 0 40 DEAB O=C1CCCCN1CSc1nnnn1CCc1cccs1 97080540 OQWBXRKXOBUVFN-UHFFFAOYSA-N 323.447 2.039 0 40 DEAB CCO[C@H]1C[C@H]1C(=O)N(Cc1ccncc1)Cc1cccnc1 72281816 QMJNCGWNKYBKCN-SJORKVTESA-N 311.385 2.430 0 40 DEAB Cc1cnc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)cn1 97198748 BJOFUONLZOIFGB-LBPRGKRZSA-N 313.405 2.024 0 40 DEAB CC(C)c1nc(CC(=O)N[C@@H]2CCc3nccn3C2)cs1 97197896 IESYBGZGJAUAJP-LLVKDONJSA-N 304.419 2.137 0 40 DEAB O=C(N[C@H](CCO)C1CC1)c1c(F)cccc1Br 84339005 KGHHUNRIHVORLW-LLVKDONJSA-N 316.170 2.479 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)N[C@H](C)c2ccc(F)c(F)c2)C1 95947179 XTTRVUIIDMQZIV-MFKMUULPSA-N 310.344 2.401 0 40 DEAB CC(C)n1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)O)n1 95969902 KBLMBNVRXTVRHS-HNNXBMFYSA-N 313.357 2.116 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)c2csc(-c3ccco3)n2)C1 95950661 JBRZTKCLDUJLDL-LLVKDONJSA-N 319.386 2.144 0 40 DEAB COc1c(C(=O)N[C@H](C)CC(=O)c2cccs2)c(C)nn1C 95979590 HDLWMVKVZQPMRL-SECBINFHSA-N 321.402 2.190 0 40 DEAB C[C@H](NC1CCC(O)CC1)[C@H](c1ccccc1)N1CCOCC1 89598523 OCLXIWYYVLSODH-GWFLUQINSA-N 318.461 2.342 0 40 DEAB N[C@@H](C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1 75126114 RHECJAKPBZUWCI-LLVKDONJSA-N 311.263 2.032 0 40 DEAB CCSc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCC3)cn1 68757991 YTVVLLPFLJVNNK-JTQLQIEISA-N 317.418 2.222 0 40 DEAB C[C@@H]1CCC[C@@H](O[C@H](C)C(=O)NCCNC(=O)C2CCCC2)C1 110597427 BRZKPIUSQYAFTP-IIAWOOMASA-N 324.465 2.393 0 40 DEAB Cc1ccc(-c2c3c(nc4nc(N)[nH]c(=O)c24)CCCC3=O)cc1 20673603 HEYFFGNSVWDRGA-UHFFFAOYSA-N 320.352 2.395 0 40 DEAB CCSc1ccc(C(=O)N[C@H](C)c2nnc3n2CCC3)cn1 68757994 YTVVLLPFLJVNNK-SNVBAGLBSA-N 317.418 2.222 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)CCc1ccsc1 79051765 DVFKSDZKSIPPPT-UHFFFAOYSA-N 303.449 2.010 0 40 DEAB CC[C@H](CN[C@H]1CCCS(=O)(=O)C1)Oc1ccccc1C 183319395 ZOYMJQWQNYESBO-LSDHHAIUSA-N 311.447 2.319 0 40 DEAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)cnc2ccnn12 38829566 KAPZWLDFISAXPC-UHFFFAOYSA-N 321.384 2.000 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)c1c[nH]nc1-c1ccccc1 79028377 KAFQTNPBEMYNSK-QFIPXVFZSA-N 319.430 2.354 0 40 DEAB Cc1cccc(OCc2cn(CC(=O)NC3CCCC3)nn2)c1 227160907 GJKSZZCUSFATKQ-UHFFFAOYSA-N 314.389 2.224 0 40 DEAB COc1cnc(O[C@H]2CCN(Cc3ccccc3F)C2)nc1 1203359840 KLAQKTOOFRUBRB-ZDUSSCGKSA-N 303.337 2.278 0 40 DEAB Cc1cc(NC(=O)C2CCN(c3cnccn3)CC2)sn1 96449162 LBKPCEXBIAJZLN-UHFFFAOYSA-N 303.391 2.097 0 40 DEAB CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042883 CXDBKAZXAPHONQ-SOUVJXGZSA-N 308.447 2.252 0 40 DEAB C[S@](=O)CCNC(=O)NCCc1cc(Cl)cc(Cl)c1 96408794 FCGONXYQQHKLAW-LJQANCHMSA-N 323.245 2.214 0 40 DEAB Fc1cnc(N2CC3(CCN(Cc4ccsc4)C3)C2)nc1 96202757 LOMTUISFKBBESY-UHFFFAOYSA-N 304.394 2.390 0 40 DEAB C[C@H](Sc1nnc(CCc2ccccc2)o1)C(=O)N(C)C 96430411 LFCFLCSVQNXJCH-NSHDSACASA-N 305.403 2.424 0 40 DEAB CS[C@@H](CNC(=O)c1cnn(C)c1N)c1cccc(Cl)c1 97375971 DDOMKHUMMSMABS-LBPRGKRZSA-N 324.837 2.490 0 40 DEAB CCC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 96251857 SZNPGJQWYZFNHC-WMZOPIPTSA-N 300.402 2.188 0 40 DEAB CCc1nn(C)cc1CNC(=O)N(C)C[C@@H](C)c1nccs1 96502289 RFQGPZCNMQEGKM-LLVKDONJSA-N 321.450 2.384 0 40 DEAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1nccs1)CC2 96197768 LLQRGXNNQJOQBX-AWEZNQCLSA-N 318.446 2.403 0 40 DEAB C[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)[C@@H]1c1cccc(F)c1 96446637 NIPKZUCVZHTLTB-ABAIWWIYSA-N 323.393 2.331 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(c4ncccn4)C[C@H]3C2)s1 96053991 MVHKNHOVDSLGRA-OKILXGFUSA-N 300.431 2.415 0 40 DEAB O=C(N[C@H]1CCn2nccc2C1)c1cc(-c2cccs2)on1 245060661 PTWCWYPOIZXNJC-JTQLQIEISA-N 314.370 2.344 0 40 DEAB CC(C)[C@@H]1COC(=O)N1c1cncc(C2CCN(C)CC2)n1 257325818 WUOFMKVPQJSFRT-AWEZNQCLSA-N 304.394 2.267 0 40 DEAB CN1CCCN(Cc2cnc([C@@]3(C)CCCCO3)nc2)CC1 257314490 UXFSGUGFTHWDPD-QGZVFWFLSA-N 304.438 2.030 0 40 DEAB NC(=O)CCOc1ccccc1N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 253369643 GAXXIIMQWXRKEW-JCURWCKSSA-N 316.401 2.310 0 40 DEAB CCC[C@@H](C)NC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 31735895 GMLMDAZZSICNHM-MNOVXSKESA-N 305.357 2.345 0 40 DEAB CCOC(=O)CCCNC(=O)CN(CC)c1ccccc1C 70945345 IJUISEGMZQQFGH-UHFFFAOYSA-N 306.406 2.281 0 40 DEAB CN(C)C(=O)CNc1cc(Cl)ccc1C(=O)N1CCCCC1 57794416 MWIRUGMXWTZBEN-UHFFFAOYSA-N 323.824 2.466 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 76089297 NQPMPVDFCUENSF-OLZOCXBDSA-N 313.419 2.404 0 40 DEAB CNC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@@H]1C=CCC1 41870833 SDDOEEANMOLUST-LLVKDONJSA-N 318.373 2.358 0 40 DEAB CCC[C@@H](CC(=O)OC)NC(=O)CCOCc1ccccc1 95458829 BEJBCJDDXYNDBM-HNNXBMFYSA-N 307.390 2.441 0 40 DEAB COC(=O)[C@H]1CN(C(=O)c2ccco2)C[C@@H]1c1ccc(F)cc1 12157297 DJVCVUCXLLPYLP-KGLIPLIRSA-N 317.316 2.448 0 40 DEAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](C(N)=O)C2)c(C)c1 12577216 XNEVRVWAWZVDNB-LSDHHAIUSA-N 317.433 2.136 0 40 DEAB COC(=O)COc1ccccc1[C@H]1NC(=O)c2ccccc2N1 15932355 BUVKCYNMUYYORQ-MRXNPFEDSA-N 312.325 2.093 0 40 DEAB COc1ncccc1C(=O)NC[C@H]1CCCN1c1ccccc1 206784834 OHGNIBOSRHPLLM-OAHLLOKOSA-N 311.385 2.489 0 40 DEAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)NC1CCOCC1 225557468 MOVZGXIJZFACNM-CQSZACIVSA-N 318.373 2.335 0 40 DEAB O=C(NCCn1ccn2nccc12)C12CC3CC(CC(C3)C1)C2 206743608 GOGUDVWGZJIRER-UHFFFAOYSA-N 312.417 2.468 0 40 DEAB CCCC(=O)NC(=S)Nc1cc(/C=C/C(=O)O)ccc1OC 226356856 BNWDHBDTLZIKEM-SOFGYWHQSA-N 322.386 2.406 0 40 DEAB O=C(O)[C@@H](NC(=O)[C@H]1CC12CCOCC2)c1ccc(Cl)cc1 540665098 VGJRDYRXCMMAKN-OLZOCXBDSA-N 323.776 2.399 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1nc2cccnc2n1C 1889168616 MEXQPYVNSYJKAM-UHFFFAOYSA-N 310.357 2.376 0 40 DEAB Cc1cc(C)n([C@@H](CNC(=O)c2ccno2)c2ccco2)n1 585367385 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Cc1ccc(/C=C/C(=O)N2CCN(C(=O)C3CCCC3)CC2)o1 29323326 TWSLRKACRADMNE-CMDGGOBGSA-N 316.401 2.462 0 40 DEAB CCCn1nc(C(=O)NCc2ccccc2Cl)ccc1=O 11781973 KPOVJMBDHNDFIE-UHFFFAOYSA-N 305.765 2.237 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN(Cc2ccsc2)CC1 48342944 LGQFVNMWLREYLA-UHFFFAOYSA-N 316.430 2.307 0 40 DEAB NC(=O)CCN(C(=O)c1cnc2ccccc2n1)c1ccccc1 12852502 VACZLHGSXLGXMZ-UHFFFAOYSA-N 320.352 2.152 0 40 DEAB OC[C@@]1(NCc2cnn(-c3ccccc3)n2)CCc2ccccc21 95429785 RDYAVCYVGZJQHN-IBGZPJMESA-N 320.396 2.191 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC 13598565 GBKXHMVMHOPRRJ-HZMBPMFUSA-N 322.361 2.167 0 40 DEAB c1ccc(NC[C@@H]2CO[C@@H]3CN(Cc4cccnc4)C[C@@H]32)nc1 306137724 RECDCIVPPPOLRI-BRWVUGGUSA-N 310.401 2.036 0 40 DEAB Cc1ccc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)nc1 65487569 RFTWAQMIKGZVQI-MRXNPFEDSA-N 312.417 2.023 0 40 DEAB Cc1nc2n(c1C)CCN(CC(=O)Nc1cc(C(C)C)no1)C2 65475015 IJUCMJZDOJWFKU-UHFFFAOYSA-N 317.393 2.066 0 40 DEAB CCOC1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 65462765 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DEAB CCN(C(=O)N1CCCN(C(=O)c2ccncc2)CC1)C(C)C 97141724 AHUOFCZLXMZZRN-UHFFFAOYSA-N 318.421 2.080 0 40 DEAB COC(=O)c1ccsc1N1CC[C@@H](Sc2ncc[nH]2)C1=O 75077328 WJVBNPHMHNUITH-SECBINFHSA-N 323.399 2.155 0 40 DEAB Cc1cn2nc(N3CCN(c4nccs4)[C@H](C)C3)sc2n1 89702178 PTCCHWFFIDFGON-SNVBAGLBSA-N 320.447 2.271 0 40 DEAB CC(=O)c1c(N[C@H](Cc2ccccc2)C(=O)O)oc(C)cc1=O 27525894 KASBSPCCNIEAAV-CYBMUJFWSA-N 315.325 2.259 0 40 DEAB COc1ccc(OCC(=O)Nn2c(C)cc(C=O)c2C)cc1 408568745 WOYUJOPTUVQZCJ-UHFFFAOYSA-N 302.330 2.075 0 40 DEAB CC(C)c1nsc(N2CCC(n3cc(C(=O)O)cn3)CC2)n1 521632615 TVXKVBRPMUZQTP-UHFFFAOYSA-N 321.406 2.398 0 40 DEAB CC(C)c1cc(NC(=O)CN2CCC[C@@H](c3ccn[nH]3)C2)on1 72270663 IRMREDYQXWEKLY-GFCCVEGCSA-N 317.393 2.339 0 40 DEAB COc1cccc(C(=O)N[C@@H]2CCCN(C)C2)c1OC(F)F 79065139 OMKQCODRWHGYMA-SNVBAGLBSA-N 314.332 2.121 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C(=O)O)C2)cc1 71405189 XAZIOURHZYSVNS-NEPJUHHUSA-N 305.330 2.303 0 40 DEAB C[C@H]1CCC[C@@H](OC(=O)c2cn(Cc3ccccn3)nn2)C1 76878904 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306.797 2.424 0 40 DEAB CC(C)c1nn(C)cc1NC(=O)[C@H](C)OC[C@H]1CCCCO1 280261139 PPBKDGWWHAUTHM-QWHCGFSZSA-N 309.410 2.456 0 40 DEAB Cc1nc(N(C)C)nc(C)c1NS(=O)(=O)c1cccc(F)c1 96098611 RPGSXVWIUPSAEU-UHFFFAOYSA-N 324.381 2.099 0 40 DEAB CCCn1nnnc1CN1CCO[C@@H](c2ccccc2Cl)C1 69841749 WWQDCQHOJNFRRV-CQSZACIVSA-N 321.812 2.310 0 40 DEAB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)C1CC1 29804623 FFDLGIIKSNXSJH-HNNXBMFYSA-N 308.809 2.240 0 40 DEAB COCCn1c(SCC(=O)Nc2cc(C)on2)nc(C)c1C 32893985 FRPNKMVGBVNKLR-UHFFFAOYSA-N 324.406 2.174 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@H]1CCc1ccccc1)C(=O)N(C)C 56875762 OEIBSRQTVRNZPT-ZBFHGGJFSA-N 317.433 2.270 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)N(C)Cc1ccc2c(c1)OCCO2 40460764 SIPPVSDAIVRNQJ-ZDUSSCGKSA-N 318.417 2.337 0 40 DEAB CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)N(C)CC(N)=O)c1 76093884 HLAXYUDBFAEYPN-JTQLQIEISA-N 311.813 2.354 0 40 DEAB Cc1nc(N)nc2c1cc(-c1cn[nH]c1)c(=O)n2C1CCCC1 84687562 VMGMCPMGGFUNMP-UHFFFAOYSA-N 310.361 2.187 0 40 DEAB in-vitro CC(=O)N1CCN([C@H]2CN(CCC3CCCC3)C[C@@H]2C)CC1 84714509 AFSPOYJAGZQRRW-YJBOKZPZSA-N 307.482 2.051 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)OC)cc1 5703270 RQOYEJXKNGQZCV-VNKDHWASSA-N 303.314 2.087 0 40 DEAB COc1ccc(NC(=O)[C@@H]2C=CCN2C(=O)c2ccco2)cc1 12182563 QHFSJJQMIAARTA-AWEZNQCLSA-N 312.325 2.308 0 40 DEAB O=C(Cc1ccc(OC(F)(F)F)cc1)N1C[C@H]2C[C@H]1CO2 365018391 LPUJAXUXXABSFS-CMPLNLGQSA-N 301.264 2.127 0 40 DEAB CCN1CCC[C@H]1CNS(=O)(=O)c1ccccc1Cl 6558598 ABKYQQJWEXSYAL-NSHDSACASA-N 302.827 2.103 0 40 DEAB Cc1cc(F)cnc1C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 1889139151 LPNOYCNHIDLOGP-UHFFFAOYSA-N 322.365 2.248 0 40 DEAB O=C(CCc1ccc[nH]1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1565551810 VXKJCPVGDUBQRH-FUHWJXTLSA-N 324.428 2.075 0 40 DEAB Cc1ccc2ncc(C(=O)NCc3ccc(F)cc3)c(=O)n2c1 9830051 QSQBHUBBUKQDTH-UHFFFAOYSA-N 311.316 2.072 0 40 DEAB CN1C(=O)CCc2cc(NS(=O)(=O)c3ccccc3)ccc21 16916652 BFOLWTIZVUXKAT-UHFFFAOYSA-N 316.382 2.396 0 40 DEAB CS(=O)(=O)c1ccc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cc1 2298045829 VPJKVSFNNSQUSZ-KBPBESRZSA-N 320.458 2.011 0 40 DEAB O=C1N[C@](O)(c2ccc(Br)cc2)c2ccccc21 30822823 UGZLJHACIHQVSG-AWEZNQCLSA-N 304.143 2.386 0 40 DEAB O=C1c2ccccc2C(=O)N1COc1ccc2ccc(=O)oc2c1 31640131 CDVPZUSMKGODAP-UHFFFAOYSA-N 321.288 2.426 0 40 DEAB O=C(Nc1nccs1)C1=NN(Cc2ccccc2)C(=O)CC1 40543498 WJZXUQNDMQZRTC-UHFFFAOYSA-N 314.370 2.260 0 40 DEAB CCN(C)C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 101783017 FTRJYVPKLPXDDO-UHFFFAOYSA-N 307.369 2.092 0 40 DEAB COc1ccc2ccccc2c1[S@](=O)N1CCN(C)CC1 52530372 JZSOUIBBTHZPPB-OAQYLSRUSA-N 304.415 2.118 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c[nH]nc1-c1ccccc1 22018763 GXAGLRCQEKNYOT-UHFFFAOYSA-N 319.324 2.499 0 40 DEAB O=C(N[C@H]1CCCc2ccccc21)c1ccnc(-n2cncn2)c1 53758701 SLPYDTJOTXPYAD-INIZCTEOSA-N 319.368 2.470 0 40 DEAB CC(C)(C)C(=O)COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 816323 KFTAWZHFKRFFMI-LBPRGKRZSA-N 303.358 2.198 0 40 DEAB CN1CCN(CCCNC(=O)c2ccc3ccccc3c2)CC1 22782011 KGMUCXYKEKLAPD-UHFFFAOYSA-N 311.429 2.207 0 40 DEAB COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(C)cc1 1476093 CQOFPVUNMHWTQT-INIZCTEOSA-N 313.353 2.215 0 40 DEAB Cc1cccc(C(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)c1C 79094153 OTNKHFABZRBRRM-LBPRGKRZSA-N 309.431 2.341 0 40 DEAB Cc1ccc2c(CC(=O)NCCNC(=O)C(C)C)coc2c1C 23326012 KDPFJEWOTWEURB-UHFFFAOYSA-N 316.401 2.481 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)n1C 23951097 KALPSTNJQAPHBL-ZDUSSCGKSA-N 309.373 2.405 0 40 DEAB CCOC(=O)N[C@@H](CC(=O)NC[C@H]1CCCO1)c1ccccc1 6843716 PBLUWWZSXNNJMQ-CABCVRRESA-N 320.389 2.159 0 40 DEAB O=C(COC(=O)c1ccc2c(c1)OCCO2)NC1CCCCC1 3250202 DTUODAIRZMBAPX-UHFFFAOYSA-N 319.357 2.064 0 40 DEAB CCC(=O)Nc1cccc(NC(=O)c2cccc(C(N)=O)c2)c1 43729721 GQVSVVPILOWFHC-UHFFFAOYSA-N 311.341 2.386 0 40 DEAB C[C@@H]1CC[C@@H]2C(=O)N([C@H](CC(=O)O)c3ccco3)C(=O)[C@@H]2C1 102999928 WWVINSFHAZLOQY-WRWGMCAJSA-N 305.330 2.217 0 40 DEAB O=C(CN1CCc2sccc2C1)NC(=O)Nc1ccccc1 57399416 JNHGWWLEMWXLSH-UHFFFAOYSA-N 315.398 2.455 0 40 DEAB Cc1csc(CNC(=O)NCCc2ccc3c(c2)OCO3)n1 48170959 DUNBUCNJQUAVGO-UHFFFAOYSA-N 319.386 2.222 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)CCC(=O)N3)on1 27019329 CXRPUUHXWMFJMR-JTQLQIEISA-N 314.345 2.307 0 40 DEAB Cc1noc(C)c1Cc1ccc(C(=O)NC[C@H]2CCCO2)o1 28244351 IUFBAKPULAVGCC-CYBMUJFWSA-N 304.346 2.384 0 40 DEAB O=C(Nc1ccc(OCc2ccccc2)nc1)c1ccc(O)nn1 58295735 VPOVKUHNLUSMDP-UHFFFAOYSA-N 322.324 2.409 0 40 DEAB O=C(Nc1cn[nH]c1)[C@H](c1ccccc1)N1CCSCC1 58228005 NIHREULHSSGMFV-AWEZNQCLSA-N 302.403 2.138 0 40 DEAB CCONC(=O)c1cc(OC)c(Br)c(OC)c1 12757389 PGDBNSYZCBAIRJ-UHFFFAOYSA-N 304.140 2.148 0 40 DEAB CCCNC(=O)CSc1nc2ccsc2c(=O)n1CC 27820955 NKFZSJLHQYLPNN-UHFFFAOYSA-N 311.432 2.096 0 40 DEAB O=C(Nc1cn[nH]c1)[C@H]1CCCN(Cc2cccc(F)c2)C1 58355942 VRAPGYOYNCIXCR-ZDUSSCGKSA-N 302.353 2.400 0 40 DEAB C[C@@H](NC(=O)CN1CCN(c2ccccc2Cl)CC1)C1CC1 58380942 GPPMFDCSROJSCW-CYBMUJFWSA-N 321.852 2.377 0 40 DEAB Cc1ccn2cc(CNC(=O)c3ccc4c(c3)OCO4)nc2c1 58364667 VTKOFEYVTZQAOI-UHFFFAOYSA-N 309.325 2.301 0 40 DEAB Cc1nc(-n2cccc2)sc1C(=O)N1CCC(C(=O)O)CC1 36354218 FDDGRPJFPVGKDQ-UHFFFAOYSA-N 319.386 2.179 0 40 DEAB CC(=O)N1CCN([C@H](C)C(=O)Nc2ccc(C(C)C)cc2)CC1 36380038 OJKDFLDTHYKUKL-CQSZACIVSA-N 317.433 2.301 0 40 DEAB CC(C)C(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccccn2)C1 46144949 KLLSPZOGBVUQJE-KBPBESRZSA-N 303.406 2.153 0 40 DEAB O=C(Nc1ccccc1O)c1ccc(CN2C(=O)CCC2=O)cc1 12992878 VDVZOQXBJMYLOY-UHFFFAOYSA-N 324.336 2.294 0 40 DEAB CCn1cncc1S(=O)(=O)Oc1ccc(CCC(C)=O)cc1 72313138 RSARFVGEVKGJHM-UHFFFAOYSA-N 322.386 2.192 0 40 DEAB C[C@@H]1C[C@H]1CNC(=O)N1CCC(c2nnc3ccccn23)CC1 65412488 IBUHVCGNXVDRNX-OCCSQVGLSA-N 313.405 2.274 0 40 DEAB Cc1n[nH]cc1CNC[C@@H](C)N1CCN(c2ccccc2)CC1 65463794 RSHVYYZWGFIBNC-OAHLLOKOSA-N 313.449 2.018 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)CCc1c[nH]c3ccccc13)CC2 65463345 WODUPSFEKQJRGX-CQSZACIVSA-N 323.400 2.132 0 40 DEAB NC(=O)C[C@H]1CCCCN1C(=O)c1csc(-c2ccco2)n1 65607130 BYBZLAYQDNXDQD-SNVBAGLBSA-N 319.386 2.273 0 40 DEAB COC(=O)[C@@H]1C[C@@H](O)[C@H](N2CCC(c3ccc(F)cc3)CC2)C1 83423127 JDLGCUAPLDHNLA-USXIJHARSA-N 321.392 2.318 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)s1 28226022 XXUBQXCDRBIWGH-VHSXEESVSA-N 322.386 2.015 0 40 DEAB CCNC(=O)CCN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 66844929 CDOLPPOSTZVANZ-AWEZNQCLSA-N 314.788 2.379 0 40 DEAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCOCC2)cc1 19897901 HVJMHXXEKCYOPA-MRXNPFEDSA-N 314.385 2.391 0 40 DEAB COCc1c(C(=O)O)nnn1-c1ccccc1C(F)(F)F 67323682 MBNQYMHHTIPSHV-UHFFFAOYSA-N 301.224 2.131 0 40 DEAB in-vitro Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1c1cccn1C 7856411 DRXXEFQRXKRPSW-OAHLLOKOSA-N 315.421 2.151 0 40 DEAB Fc1ccccc1OCCN1CCCC[C@H]1Cn1cncn1 71876168 OYWCUFAUBMBBPD-AWEZNQCLSA-N 304.369 2.351 0 40 DEAB Cc1cc(N[C@@H]2CCc3nc(C)nn3C2)nc(-c2ccncc2)n1 71874917 RZWYRQHVWPLSOS-CQSZACIVSA-N 321.388 2.174 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1 71840993 MDMBCGUGZRFZPQ-LLVKDONJSA-N 314.311 2.094 0 40 DEAB O=C1CC[C@@]2(C(=O)N[C@@H]3CCCc4ccccc43)SCCN12 8262939 MFZMNDYWKNBHFI-PBHICJAKSA-N 316.426 2.246 0 40 DEAB C[C@@H](Cc1ccsc1)NC(=O)NCC(=O)Nc1cccnc1 69383190 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O=C1[C@H](N2CCC[C@H](c3ccn[nH]3)C2)CCN1c1ccccc1 72274836 ZOKDBHGUJSGGNP-WMLDXEAASA-N 310.401 2.395 0 40 DEAB CC(C)N1C[C@H](C(=O)N2CCCC[C@H]2c2nccs2)CC1=O 72285975 VLZMAWYHHFQRMU-OLZOCXBDSA-N 321.446 2.454 0 40 DEAB C[C@H](NC(=O)NCCC1(C)OCCO1)c1ccc(F)cc1F 97136578 CQWOATHKIBMBKP-JTQLQIEISA-N 314.332 2.478 0 40 DEAB Cn1cnc(-c2ccc(NC(=O)Cc3cccc(O)c3)cc2)n1 97109251 POSSFWPWUHOINM-UHFFFAOYSA-N 308.341 2.369 0 40 DEAB CC(C)n1nccc1NC(=O)N[C@@H](CO)Cc1ccccc1 97164081 JZVZDNZOIJZSDV-CQSZACIVSA-N 302.378 2.189 0 40 DEAB CCCC[C@@H](N)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 95996286 IYHYLFRRTIHXHO-HZPDHXFCSA-N 306.406 2.113 0 40 DEAB CN(C(=O)CN1CCCC[C@H]1c1cn[nH]c1)c1nccs1 89365691 PAKZUDFGJBRVGP-LBPRGKRZSA-N 305.407 2.056 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2occc2C)c(OC)c1 9908761 DLMUZIFQMJVBLK-UHFFFAOYSA-N 319.313 2.401 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NC[C@](C)(O)c2ccco2)C1 89661877 RTYQEGOOHRHHTM-WBMJQRKESA-N 310.394 2.086 0 40 DEAB COCCOc1cccc(CN[C@H]2CCN(C(C)=O)C[C@@H]2C)c1 89937578 OPCJWAXKBYOCDQ-KSSFIOAISA-N 320.433 2.058 0 40 DEAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)c2ccc(C)n2C)c1 76041636 XPDJLFGWABZBAL-UHFFFAOYSA-N 321.402 2.266 0 40 DEAB CC(=O)N1CCC(C(=O)NCC2CCC2)(c2ccccc2)CC1 26145463 YXUNRBPPRKPMQN-UHFFFAOYSA-N 314.429 2.483 0 40 DEAB Fc1ccccc1-c1cc(N2CCCNCC2)n2nccc2n1 72431969 YNUCLPKPTCWAIM-UHFFFAOYSA-N 311.364 2.335 0 40 DEAB CCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227706 BPIQIQZHNQQPPO-ZWKOTPCHSA-N 324.380 2.435 0 40 DEAB CCN(Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)N 79415481 PSCBSRNHNTXOPI-DOTOQJQBSA-N 303.450 2.237 0 40 DEAB C[C@H](Cn1cccn1)OC(=O)c1cncc(Br)c1 83793784 LEIRBSVRIFXYEL-SECBINFHSA-N 310.151 2.286 0 40 DEAB NC(=O)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2Cl)C1 45953420 YWFPOJJAXWLEOE-ZCFIWIBFSA-N 306.671 2.197 0 40 DEAB Fc1ccc(Cn2cc(CNc3nc4ncccn4n3)cn2)cc1 195034940 GMOPAPGTFIGRJK-UHFFFAOYSA-N 323.335 2.120 0 40 DEAB CCOC(=O)N1CC[C@@H](NCc2ccc(Br)o2)C1 191613786 XOTJWKQQZAHCMC-SECBINFHSA-N 317.183 2.363 0 40 DEAB O=C1CCCN1CCNC(=S)Nc1ccc(F)c(Cl)c1 225811990 IIGZTOBOPCWZDI-UHFFFAOYSA-N 315.801 2.388 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)COC[C@H]1CCCNC1 195549498 JWXNNJOSHKTTDF-STQMWFEESA-N 324.396 2.028 0 40 DEAB C[C@H](C(=O)N=c1[nH]cc[nH]1)c1ccc(C[C@H]2CCCC2=O)cc1 95480482 NKJFRLNQHZLKBK-SWLSCSKDSA-N 311.385 2.486 0 40 DEAB Cn1ccnc1[C@H]1CCN(C(=O)N[C@@H](C2CC2)C(F)(F)F)C1 332827091 LBTWSEZMUDXPIM-QWRGUYRKSA-N 316.327 2.260 0 40 DEAB CCN(C)c1ncnc2c1CCN(C(=O)c1ccsc1)CC2 96058803 PEYGNVRHYSIRKH-UHFFFAOYSA-N 316.430 2.235 0 40 DEAB Cc1cccn(CC(=O)N(CC(C)C)CC(F)(F)F)c1=O 96475711 GWBCYIFOJJIYHE-UHFFFAOYSA-N 304.312 2.204 0 40 DEAB CCc1cnc(N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)nc1 96220751 JSPBPUWITRXNKK-MRXNPFEDSA-N 316.449 2.263 0 40 DEAB O=C(C1=CCCC1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042146 DCIMZRSLEKWOJF-YESZJQIVSA-N 314.385 2.329 0 40 DEAB CC(C)CN1C[C@H]2CC[C@@]3(N=C(c4ccccc4)NC3=O)[C@H]2C1 96100444 YCSQKRNLTVNKCE-JTDSTZFVSA-N 311.429 2.300 0 40 DEAB c1nnc([C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1C1CC1 91629119 RSGPWRIPEJVWCZ-LBPRGKRZSA-N 314.393 2.253 0 40 DEAB COC[C@H]1CN(C(=O)N[C@@H](C)Cc2ccc(C)s2)CCO1 96440659 RVPQATZQJAJXHY-WCQYABFASA-N 312.435 2.044 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)NC(C)C)C3(CCOCC3)C2)o1 96052098 MJFLEWRJRYWZOI-INIZCTEOSA-N 320.433 2.341 0 40 DEAB O=C(NCc1c(F)cccc1OC(F)F)[C@@H]1CCCOC1 96443910 WWZHBSSQGBAPOX-SECBINFHSA-N 303.280 2.470 0 40 DEAB O=C(/C=C/c1ccncc1)NC[C@]1(O)CCCc2ccccc21 96427029 KHBQHYJUCXLJBO-IHHMQQGQSA-N 308.381 2.435 0 40 DEAB C[C@@H](Cc1ccc(Br)cc1)C(=O)N[C@H](C)CO 97230332 UFKHBLXKALOOLQ-VHSXEESVSA-N 300.196 2.125 0 40 DEAB CCc1nc(C)c([C@@H](C)NCC2CCS(=O)(=O)CC2)s1 90882207 VOKDMGVQPSKNQE-SNVBAGLBSA-N 316.492 2.489 0 40 DEAB CCOc1ccc([C@@H]2Cn3nnc(C(=O)O)c3CO2)cc1Cl 98212707 VIVZFZWFDRIQKD-LBPRGKRZSA-N 323.736 2.300 0 40 DEAB CCSC[C@@H](C)N(C)C(=O)C1CCN(c2cnccn2)CC1 96443246 VFWTVWYKPJVYJH-CYBMUJFWSA-N 322.478 2.293 0 40 DEAB CN([C@@H]1[C@@H]2CCO[C@H]2C1(C)C)S(=O)(=O)c1cccs1 245339268 ROWPCBZKWBEWOS-MVWJERBFSA-N 301.433 2.182 0 40 DEAB CO[C@H]1C[C@@H]2CN(C(=O)CCCn3nc(C)cc3C)C[C@@H]2C1 257294027 QSDFIRIEGXNISN-ZSHCYNCHSA-N 305.422 2.164 0 40 DEAB COc1cc(N2CCN(Cc3ccc(F)c(F)c3)CC2)ncn1 184063795 GMHQYIXSPQCJFX-UHFFFAOYSA-N 320.343 2.086 0 40 DEAB CCn1nc(C)c(CN2CCO[C@@H](c3nc(C)c[nH]3)C2)c1C 257206256 BCPVOVXSYDPVOT-OAHLLOKOSA-N 303.410 2.125 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@@H](c2ccncn2)C1 257288354 PTWQLFMKWHZHAY-CQSZACIVSA-N 317.414 2.353 0 40 DEAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3nccs3)CCO2)n1 257286194 PKRSRNJJYJOJSQ-HNNXBMFYSA-N 318.446 2.486 0 40 DEAB COc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c1 298088509 GNOSKZRYWWLROY-IUODEOHRSA-N 304.390 2.006 0 40 DEAB CCC1CCC(NC(=O)C(=O)NCCc2ccccc2)CC1 298126480 WOHOUJGTMOFLHP-UHFFFAOYSA-N 302.418 2.430 0 40 DEAB CCCC(=O)N1CC2(C[C@H](OCc3cncc(C)c3)CCO2)C1 575405965 VWCFZFLHJSNRHS-MRXNPFEDSA-N 318.417 2.467 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)Cc1ccccc1 67730831 SCUUVNUAGONGBT-CYBMUJFWSA-N 306.431 2.045 0 40 DEAB CN1CCO[C@H](CNCc2cnc(-c3ccccc3)s2)C1 69894939 WNKKNZBNSTXCNK-CQSZACIVSA-N 303.431 2.230 0 40 DEAB Cc1ccc(C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cn1 48957796 ZCYUDCSARMZSRL-QGZVFWFLSA-N 323.396 2.484 0 40 DEAB CC(=O)N1CCN([C@H]2CN(CC3CCCCC3)C[C@H]2C)CC1 76055145 QTGBOJYAULTUPS-QAPCUYQASA-N 307.482 2.051 0 40 DEAB CC(C)(C)OC(=O)N1CCC(Br)(C(=O)O)CC1 59298582 VNILBVOEUDJGJN-UHFFFAOYSA-N 308.172 2.236 0 40 DEAB in-vitro O=C(COc1c(F)cc(F)cc1Br)NC1CC1 97085734 RERTUBAFZJKTDD-UHFFFAOYSA-N 306.106 2.385 0 40 DEAB O=C(c1cc(Br)c[nH]1)N1CCCC[C@@H]1c1nc[nH]n1 95989296 IHVHOIVINHMBAZ-SNVBAGLBSA-N 324.182 2.263 0 40 DEAB Cc1cc(C(=O)Nc2nnc(Cc3cccs3)o2)n(C)n1 11694682 LWDYWSJHMFYOHM-UHFFFAOYSA-N 303.347 2.016 0 40 DEAB O=C(NN1C(=O)CS[C@H]1c1ccc(F)cc1)c1ccncc1 5767539 BMNDDIJSZISEMY-HNNXBMFYSA-N 317.345 2.140 0 40 DEAB O=C(NCc1ccccc1Cl)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 13465642 CJKQKRPASNUABV-OAACRXHESA-N 305.761 2.479 0 40 DEAB OCCSc1nc2ccccc2c2nc(-c3cccnc3)nn12 13640154 ASYMXQWUOJKMMD-UHFFFAOYSA-N 323.381 2.424 0 40 DEAB Cc1nc(C)c(CC(=O)N[C@@H]2CCCc3ccccc32)c(=O)[nH]1 19937538 OYMKBEVDMLUXDT-MRXNPFEDSA-N 311.385 2.123 0 40 DEAB O=C(CN1CCOC1=O)N1CCS[C@@H](c2ccccc2)CC1 208042776 SAODMEDLPALRGF-CQSZACIVSA-N 320.414 2.145 0 40 DEAB COC(=O)c1sc(N2CCOCC2)nc1-c1ccccc1 16189902 NMJDAMOFXGORQX-UHFFFAOYSA-N 304.371 2.433 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)N[C@H]3CCCC[C@H]3C)n2)cc1 419576 VEWRONBKSIZEFA-HIFRSBDPSA-N 313.405 2.343 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccccn2)CC1 24060538 AUOSRZZDLBOOEX-GJZGRUSLSA-N 302.422 2.492 0 40 DEAB COC(=O)[C@H]1Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccnc1 85412854 GALGQQWIIAWVFA-BBRMVZONSA-N 323.304 2.254 0 40 DEAB O=C(NCCc1ccsc1)C(=O)NCc1ccc(Cl)cc1 13724257 LENGFIGIEOPEFH-UHFFFAOYSA-N 322.817 2.377 0 40 DEAB Cc1cc2ncc(NC(=O)c3cnc4ccccc4n3)cn2n1 206736898 ZHMLBVFKOUVQLD-UHFFFAOYSA-N 304.313 2.233 0 40 DEAB COC[C@@](C)(CNC(=O)CSc1ccc(F)cc1)OC 618255617 UITQNLLEKBYNHC-CQSZACIVSA-N 301.383 2.086 0 40 DEAB Cc1cc(C(=O)N2CCCC[C@@H]2c2cc(C(N)=O)[nH]n2)c(C)o1 225554723 OBWDKFLBNJCKTK-CQSZACIVSA-N 316.361 2.086 0 40 DEAB Cc1ccsc1CCC(=O)N1CC(Nc2ncccn2)C1 238924792 UNVDIFOWHFGICO-UHFFFAOYSA-N 302.403 2.102 0 40 DEAB COc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)O)cc1OC 2424779 CCZRIRFQPUWXIS-LBPRGKRZSA-N 324.377 2.002 0 40 DEAB COc1cccc([C@@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)c1 96223363 DIZGVJQQLKMOIG-ZDUSSCGKSA-N 322.320 2.144 0 40 DEAB Cc1ccc(CNCc2ccccc2S(=O)(=O)N(C)C)o1 30658179 GENSAFXSUCMXLP-UHFFFAOYSA-N 308.403 2.128 0 40 DEAB NC[C@@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl 20182627 XABCOSBEIBZXQA-JTQLQIEISA-N 303.189 2.322 0 40 DEAB CNc1snc(C)c1C(=O)NCCCN1CCCCCC1=O 40489289 IMBSELNLBZNHRS-UHFFFAOYSA-N 324.450 2.016 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 40540569 UJUXAMPOLQCOCU-RYUDHWBXSA-N 314.393 2.481 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cn2)n1 32633722 NUMDJCIFDZCIBU-ZIAGYGMSSA-N 314.389 2.134 0 40 DEAB Cc1ccc(C(N)=O)c(O[C@@H](C)C(=O)N2CCCCCC2)c1 32869465 SSZVSJPAHRKTJZ-ZDUSSCGKSA-N 304.390 2.264 0 40 DEAB CCCn1nc(C(=O)N2CCc3sccc3[C@@H]2C)ccc1=O 21638680 UHBNUPJFHVXSHU-NSHDSACASA-N 317.414 2.474 0 40 DEAB O=C1CCc2cc(S(=O)(=O)NC3CCCCC3)ccc2N1 423387 IWSLSYOTLKRVKN-UHFFFAOYSA-N 308.403 2.182 0 40 DEAB CC(C)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 22323740 BGYZLZRCBBLKKU-UHFFFAOYSA-N 320.418 2.098 0 40 DEAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3 294953 NMVXEGOCAPIDRN-UHFFFAOYSA-N 324.427 2.139 0 40 DEAB NC(=O)Nc1ccc(C(=O)OCc2nnsc2Cl)cc1 22637847 RFBBRGLUSYOFCS-UHFFFAOYSA-N 312.738 2.039 0 40 DEAB Cc1nn(C)cc1CNC(=O)c1cccc(Br)c1 484189 CEOMXLRSFSEVCS-UHFFFAOYSA-N 308.179 2.421 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)c3cc(Cl)c[nH]3)CCO2)n1 78889653 RBUDTTPPAKXZIV-NSHDSACASA-N 323.784 2.123 0 40 DEAB Fc1cc(Cl)cnc1N1CCC(CN2CCOCC2)CC1 79296139 BMXIXVBAKCWVDM-UHFFFAOYSA-N 313.804 2.423 0 40 DEAB O=C1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CCN1 72274240 DKEXVENWNAMIBF-KRWDZBQOSA-N 315.417 2.449 0 40 DEAB CN(C(=O)Nc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 4566208 MHEHPKHUGKUPCY-CYBMUJFWSA-N 318.398 2.491 0 40 DEAB CCOC(=O)[C@](NC(=O)c1ccc(F)cc1)(OC)C(F)(F)F 4802410 NKVPAYBMJIIRRG-LBPRGKRZSA-N 323.242 2.024 0 40 DEAB O=C(CSc1nnnn1C1CCCC1)NCc1ccccc1 4968024 AYJOCUBZFVMPDH-UHFFFAOYSA-N 317.418 2.197 0 40 DEAB COCCCNC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 42901147 YYZYMSCBNIZREY-AWEZNQCLSA-N 320.389 2.341 0 40 DEAB CC(=O)c1sc(NC(=O)CSc2cc(C)ncn2)nc1C 1286593 WEFXOQUWXSQCRC-UHFFFAOYSA-N 322.415 2.483 0 40 DEAB C[C@H](NC(=O)COc1ccc(C(N)=O)cc1)c1cccs1 24785506 OMKHGNWFGJLDRL-JTQLQIEISA-N 304.371 2.103 0 40 DEAB CCN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)[C@@H](C)COC 55263136 RACWCKFTVVMAQZ-LBPRGKRZSA-N 319.405 2.468 0 40 DEAB O=C(NCC(=O)N1CCC[C@@H]1c1ccccn1)c1ccccc1 55514154 GWWINCXTPLFOFP-MRXNPFEDSA-N 309.369 2.175 0 40 DEAB CCN1CCC(CNC(=O)[C@H]2Oc3ccccc3O[C@H]2C)CC1 57000702 VCVRFIIMJKWZNI-GUYCJALGSA-N 318.417 2.063 0 40 DEAB C[C@@H](OC(=O)c1ccccc1O)C(=O)NCc1ccc(F)cc1 9513007 XCTXPDBKNCQKAM-LLVKDONJSA-N 317.316 2.393 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 62118896 PRRDRKRODDUVQX-MRVPVSSYSA-N 302.157 2.469 0 40 DEAB CC1=C(C(=O)N(C)C)[C@H](c2ccccc2)NC(=S)N1C1CC1 52549264 BRAFDDAMYNUGFO-HNNXBMFYSA-N 315.442 2.442 0 40 DEAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cnccn3)n2)C1 12789912 JRNMFFWPYWNLBK-LLVKDONJSA-N 317.418 2.417 0 40 DEAB O=C(NCCCn1cccn1)[C@H]1COc2ccc(Cl)cc2C1 44911043 KTBIUEDREPWYTI-CYBMUJFWSA-N 319.792 2.294 0 40 DEAB Cc1nccc(CNC(=O)[C@@H]2CCCN2Cc2ccccc2)n1 58304778 QAJBYFMJHJBDFN-KRWDZBQOSA-N 310.401 2.066 0 40 DEAB CCCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3316713 TZJINSIBZKBKJQ-UHFFFAOYSA-N 309.337 2.248 0 40 DEAB Cn1c2ccc(F)cc2c2ncn(C[C@H]3CCCO3)c(=O)c21 2445341 DBAIGGCECCWZSG-LLVKDONJSA-N 301.321 2.206 0 40 DEAB Cc1nc(C)n(C[C@H]2CN(C/C=C/c3ccccc3)CCO2)n1 72267568 WHEUJJAPSSVTTE-AHKGRUIUSA-N 312.417 2.309 0 40 DEAB Cn1cc(/C=C/C(=O)Nc2cnn(Cc3ccccc3)c2)cn1 2769142 DERXNPIVWYQIQY-BQYQJAHWSA-N 307.357 2.317 0 40 DEAB CCCCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 12911055 VIKCARDBJGAKHC-UHFFFAOYSA-N 324.446 2.308 0 40 DEAB Cn1ccc(CSc2nnc(N3CCCC3)s2)cc1=O 48874131 DSXZNFQUGRIZLG-UHFFFAOYSA-N 308.432 2.129 0 40 DEAB CNS(=O)(=O)c1ccc(NCCC(C)(C)C)cc1OC 97103970 PPQZWBDIPKBTDX-UHFFFAOYSA-N 300.424 2.451 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)N1CCO[C@H](CCc2ccccc2)C1 97110398 SSBSKHMKPQWPKY-USXIJHARSA-N 318.417 2.207 0 40 DEAB COc1ccc(CCNC(=O)Cn2cnc3ccccc32)cc1 5198907 XBYIGYIIWAUTJA-UHFFFAOYSA-N 309.369 2.404 0 40 DEAB CC[C@H](C(=O)N1CCC(Oc2ccc(C)cn2)CC1)N(C)C 96009264 FHZULARCHIFRPS-OAHLLOKOSA-N 305.422 2.100 0 40 DEAB Cc1ccnc(NCc2ccccc2CN2CCC[C@@H]2CO)n1 96005714 ZUUABAIHPVBLJA-QGZVFWFLSA-N 312.417 2.354 0 40 DEAB Cc1cccn2cc(CC(=O)N[C@@H]3CCCc4c3cnn4C)nc12 65604679 ZQBRODNQBPRCAQ-OAHLLOKOSA-N 323.400 2.113 0 40 DEAB CCCCn1nnnc1COc1ccc2ccc(=O)oc2c1 6846375 SFPYNLPIKGDONI-UHFFFAOYSA-N 300.318 2.159 0 40 DEAB O=C(Nc1ccc(NS(=O)(=O)c2ccccc2)cn1)C1CC1 67004828 CUFUFEZSHMZNKX-UHFFFAOYSA-N 317.370 2.231 0 40 DEAB Cc1noc(C)c1CC(=O)N(C)C[C@@H]1COc2ccccc2O1 9834051 IJPAONCWUKANCG-CYBMUJFWSA-N 316.357 2.132 0 40 DEAB COc1cccc(SCC(=O)N2CCCC[C@@H]2CC(N)=O)c1 71799384 JPCNHUDLUREYJQ-GFCCVEGCSA-N 322.430 2.044 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)Nc3cccnc3)C2)no1 69219365 IFTMNAPGHPIQIN-LLVKDONJSA-N 301.350 2.439 0 40 DEAB C[C@@H](O)CN1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 71871083 HIMOYRGDRMGPRB-LLVKDONJSA-N 322.405 2.179 0 40 DEAB C[C@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)CC(C)(C)O1 71831177 ACRBNPYNZZJKFI-NSHDSACASA-N 300.358 2.168 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)NCc2cn3cccc(C)c3n2)n1 71896313 HCUGKXBRZPMDAL-AWEZNQCLSA-N 311.389 2.333 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)Cc2ccccc2C)nc1 69433199 QBSQPVZVPCSLIK-UHFFFAOYSA-N 311.385 2.386 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@H]1Cn1cccn1 71866570 WRHVTFZRZUSDBN-HNNXBMFYSA-N 323.400 2.232 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCOC2)cc1OC 71834652 LYOQHKXQPVSHFH-KGLIPLIRSA-N 305.374 2.404 0 40 DEAB CN(CC(=O)NC(=O)NCc1ccccc1)C1CCCCC1 8485254 NYZJHJQOSIJICW-UHFFFAOYSA-N 303.406 2.277 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1cc(F)ccc1F 71823466 SXHLOFOGXFLDKX-MTQLJNDNSA-N 308.328 2.090 0 40 DEAB CCN1CCCN(C(=O)CCC(=O)c2ccc(F)cc2F)CC1 69666806 CUKLAUAZDVDSEM-UHFFFAOYSA-N 324.371 2.482 0 40 DEAB CN(C)CCN(C)C(=O)Nc1cnn(-c2ccccc2F)c1 83851013 SJWTVAGDTXLMMT-UHFFFAOYSA-N 305.357 2.037 0 40 DEAB O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC1 8746734 JDPRAHDWDRNEEJ-UHFFFAOYSA-N 322.411 2.395 0 40 DEAB CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)Nc2cccnc2)C1 71909535 KANZSGIIVIKJLR-STQMWFEESA-N 304.394 2.287 0 40 DEAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1cc(Cl)c[nH]1 97035962 KASIEQAIFIESRJ-NSHDSACASA-N 306.749 2.341 0 40 DEAB O=C(O)c1cnn([C@H]2CCCN(C(=O)Cc3ccsc3)C2)c1 97231280 PAMMPOWDNXGSLA-ZDUSSCGKSA-N 319.386 2.049 0 40 DEAB CCCN(CCC)C(=O)CN[C@H](C(=O)OCC)[C@@H](C)CC 95466653 OERNTCWNAJFUPG-ZFWWWQNUSA-N 300.443 2.202 0 40 DEAB CCc1nn(C)cc1CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95995174 JDZSZPDDLLENSD-CYBMUJFWSA-N 308.426 2.128 0 40 DEAB CCS[C@H]1CC[C@]1(O)CNC(=O)c1cccnc1Cl 75093470 JKGHJAPBFQRVSH-GWCFXTLKSA-N 300.811 2.111 0 40 DEAB O=C(CCn1cnc2ccccc21)NC[C@@H](O)c1ccsc1 89878681 RSPRAOPGXDIETA-OAHLLOKOSA-N 315.398 2.338 0 40 DEAB C[C@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[S@](C)=O 89900721 PPLGOGRUNNUGHI-NTCNTBNZSA-N 308.230 2.419 0 40 DEAB O=C(NCCCOCC1CCOCC1)NC[C@H]1CC=CCC1 76019969 NHRWCYIUWZIWEF-HNNXBMFYSA-N 310.438 2.475 0 40 DEAB C[C@H](NC(=O)CNc1ccc(Cl)c(C(N)=O)c1)c1ccco1 25700681 NVVGWHTVWHRNDR-VIFPVBQESA-N 321.764 2.321 0 40 DEAB CC(C)n1ncc2cc(NC(=O)[C@H]3CCn4cncc4C3)cnc21 533089697 FDOWCAWDPHHCAX-LBPRGKRZSA-N 324.388 2.410 0 40 DEAB CCOc1cc2c(cc1CN1C[C@@H]3CCCN3C[C@@H]1C)OCO2 72324577 AQHBQPOCPHUUKS-ZFWWWQNUSA-N 318.417 2.483 0 40 DEAB O=S(=O)(NC[C@H](O)C1CCCCC1)c1c(F)cccc1F 70636729 IUTHSCROTRBLST-ZDUSSCGKSA-N 319.373 2.184 0 40 DEAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC[C@H]2CCNC2)C1=O 566063164 GAGAMHWTARERQR-BDJLRTHQSA-N 321.808 2.107 0 40 DEAB C[C@@H]1CCC[C@@](CNC(=O)N2CCOC(C)(C)C2)(N(C)C)C1 131783082 BTWQPFCLROULFB-RHSMWYFYSA-N 311.470 2.317 0 40 DEAB Cc1cc(N2CCC(NCc3ccc4nc[nH]c4c3)CC2)n[nH]1 526126375 DWRNLRPVBPKXJM-UHFFFAOYSA-N 310.405 2.353 0 40 DEAB C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cc(F)cc2cccnc12 135629402 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308.447 2.004 0 40 DEAB c1coc(CN2CCO[C@@]3(CCCN(c4nncs4)C3)C2)c1 96074898 MHKMWFWGTUKPDS-HNNXBMFYSA-N 320.418 2.003 0 40 DEAB COc1ncccc1CN1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96161480 WAZHNMAZJLVBLN-HDICACEKSA-N 324.428 2.049 0 40 DEAB CCc1nc(N2CCc3c(O)ncnc3C2)c2ccsc2n1 579757976 QSWATALJHNJNBO-UHFFFAOYSA-N 313.386 2.312 0 40 DEAB O=C1C[C@]2(CCCCN2C(=O)c2ccncc2)CN1CC1CC1 96071703 HTKUPHLFZJPUJU-GOSISDBHSA-N 313.401 2.089 0 40 DEAB COc1ncc(Cl)c(NCCc2n[nH]c(-c3ccco3)n2)n1 95415900 QKIULYJGHPCZGS-UHFFFAOYSA-N 320.740 2.171 0 40 DEAB CS(=O)(=O)CC1(CNc2cccc(C(F)(F)F)n2)CC1 96483064 XXALDKSPXFTEHS-UHFFFAOYSA-N 308.325 2.337 0 40 DEAB CC(C)(NCC(=O)NC(=O)NC1CC1)c1cccc(Cl)c1 96491935 MJJHVOUQJHDGTQ-UHFFFAOYSA-N 309.797 2.153 0 40 DEAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc3cc[nH]c3c1)CC2 97198588 WZDGBBXWNGOWEY-ZDUSSCGKSA-N 309.373 2.067 0 40 DEAB CC(C)(C)c1nc(CNc2ccc(F)cc2OCCO)no1 96427471 SBRARBDHWCZTNI-UHFFFAOYSA-N 309.341 2.489 0 40 DEAB CN(C)CCn1ccc(NC(=O)N2CCc3ccccc3C2)n1 96424057 PJXDALKLQMJATA-UHFFFAOYSA-N 313.405 2.035 0 40 DEAB CCC(CC)(CNc1nc(N)c2ccccc2n1)S(C)(=O)=O 96486669 RLXGSGGXFLODEL-UHFFFAOYSA-N 322.434 2.227 0 40 DEAB CNC(=O)[C@@H](NCCc1ccc2c(c1)CCO2)c1ccccc1 96443290 WOVOEZZKMTVZIL-SFHVURJKSA-N 310.397 2.241 0 40 DEAB CN(C)Cc1cncc([C@H]2CCCN2Cc2ncccc2F)n1 257220125 DJPXJYMMOADQME-QGZVFWFLSA-N 315.396 2.409 0 40 DEAB CC(C)c1ccc(OCCC(=O)N2CCC[C@@H](C(N)=O)C2)cc1 63703098 ZYRGIQZZPFJKTN-OAHLLOKOSA-N 318.417 2.303 0 40 DEAB O=C(Cn1cccn1)N1CCCC[C@H]2N[C@@H](c3ccccc3)C[C@@H]21 257318678 VOYZMPGQGWLVMJ-KURKYZTESA-N 324.428 2.367 0 40 DEAB COc1cccc(F)c1CN1CCO[C@@H](c2cnccn2)C1 257255192 KGMXTLRXEJXXPK-MRXNPFEDSA-N 303.337 2.198 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@H](Cc2nccs2)C1 257311857 ULHPACLBACRXRM-GFCCVEGCSA-N 302.403 2.336 0 40 DEAB O=C(c1ccc(F)cc1)N1CCC[C@@H](Oc2ncccn2)C1 575605505 QJZZGOIHUVHUFH-CQSZACIVSA-N 301.321 2.299 0 40 DEAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1cn(C)c3ccccc13)C2 575402498 BOXPSVVTWSQTKL-CYBMUJFWSA-N 314.385 2.198 0 40 DEAB 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DEAB C[C@H]1Oc2ccccc2N(CC(=O)NC2CCCCC2)C1=O 15951987 ICJPBJYMDTXXTK-GFCCVEGCSA-N 302.374 2.249 0 40 DEAB CC(C)COC(=O)[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC(C)C 19203251 BOJVLUPCUOHWSK-JKSUJKDBSA-N 321.417 2.496 0 40 DEAB Cc1nccn1C[C@@H](C)C(=O)NCCN(C)C1CCCCC1 19287764 MLKYBVPMBBEFIK-CQSZACIVSA-N 306.454 2.208 0 40 DEAB COc1ccc(S(=O)(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1OC 169355948 XHLFNVPBYCNQPZ-XQQFMLRXSA-N 323.414 2.194 0 40 DEAB O=C(N[C@H]1CCCCNC1=O)c1cccc(C(F)(F)F)c1 3801443 FYRIJDZRGMARMV-NSHDSACASA-N 300.280 2.104 0 40 DEAB CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H]1CC=CCC1 81967253 NQKIUVYSJXSJJZ-DLBZAZTESA-N 303.402 2.379 0 40 DEAB CC1CC(C(=O)N2CCc3ncnc(NC4CC4)c3CC2)C1 1565547991 ZSLHYMPALPLZSZ-UHFFFAOYSA-N 300.406 2.024 0 40 DEAB O=C(NCCc1cncnc1)c1ccccc1Br 244986279 JNTITLUOXNJTSR-UHFFFAOYSA-N 306.163 2.212 0 40 DEAB CC[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CCO1 30855313 SYVKWNSDCPMRCN-NSHDSACASA-N 311.765 2.362 0 40 DEAB O=C(O)[C@H]1CC(=O)N(Cc2cccs2)[C@@H]1c1cccnc1 40449020 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NC(=O)[C@@H]1CN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2O1 104667711 YAKQNHUHLQGFLF-QCQGSNGOSA-N 314.385 2.092 0 40 DEAB COc1ccc(CC(=O)NCc2ccc(C)n2C)cc1OC 23574715 PEAZZFMXNHUMEI-UHFFFAOYSA-N 302.374 2.210 0 40 DEAB CCCCc1ccc(NC(=O)C(=O)NCCCCCO)cc1 6652826 ZGSZGXSLDCAWFS-UHFFFAOYSA-N 306.406 2.247 0 40 DEAB CSc1nnc(-c2cccn(Cc3ccccc3)c2=O)n1C 1389399 MYXYDJOATOQKQI-UHFFFAOYSA-N 312.398 2.414 0 40 DEAB CCn1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)cn1 72299473 NXXPEATUEPVMHI-GFCCVEGCSA-N 301.350 2.141 0 40 DEAB Cc1c([C@@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)cnn1C 25001685 AFOSTVMCILQPFA-SNVBAGLBSA-N 310.357 2.061 0 40 DEAB NC(=O)c1cccc(CNC(=O)Cc2c(F)cccc2Cl)c1 25333109 RKCDXCWWKPSROT-UHFFFAOYSA-N 320.751 2.437 0 40 DEAB Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc(C(C)C)cc1)CC(=O)N2 9319155 UYJXXFAXRZGTGN-CYBMUJFWSA-N 313.361 2.232 0 40 DEAB CN1CCN(C[C@@H](O)COc2ccccc2)Cc2ccccc21 107350366 FDSMGBLMOLAPQM-QGZVFWFLSA-N 312.413 2.378 0 40 DEAB O=C(NCCNC(=O)[C@@H]1C[C@@H]2CC[C@@H]1C2)[C@H]1C[C@H]2CC[C@H]1C2 100621558 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316.382 2.342 0 40 DEAB C[C@](O)(CNC(=O)Cc1noc2ccccc12)c1ccsc1 80892231 QLQPYJAMCFRZPE-INIZCTEOSA-N 316.382 2.456 0 40 DEAB COC(=O)[C@H]1CCC[C@H]1NCc1ccc(Br)o1 225396873 DFXWYUQMONTODO-VHSXEESVSA-N 302.168 2.473 0 40 DEAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCC(N)=O)cc1 225729598 MZNGMOPLMOKWIL-INIZCTEOSA-N 308.378 2.085 0 40 DEAB CCOc1ccccc1[C@H](CC)NC(=O)NCC[S@](C)=O 96408840 JZQCNVNGJUJKHC-YEJXKQKISA-N 312.435 2.214 0 40 DEAB CCc1nnc2n1C[C@@H](NC(=O)c1cccc3cccnc13)CC2 97199058 MDAGOQJUCCAGEF-ZDUSSCGKSA-N 321.384 2.134 0 40 DEAB Cn1c(Cc2cccs2)nnc1SC[C@H](O)C(F)(F)F 97377979 AYKILCGWCUPOQA-QMMMGPOBSA-N 323.365 2.483 0 40 DEAB Cc1nnc([C@H](C)OC(=O)c2ccc(-n3cncn3)c(C)c2)o1 96442080 CLRIYESMDWGIMG-JTQLQIEISA-N 313.317 2.185 0 40 DEAB CCN1CCN(CCCCNC(=O)N2CCC[C@@H](C)[C@@H]2C)CC1 96439223 IRVXUKZXCCEHAQ-SJORKVTESA-N 324.513 2.234 0 40 DEAB C[C@@H](CN(C)C)S(=O)(=O)c1ccc(Br)cc1 96515877 NSFWBEIRQCRGIL-VIFPVBQESA-N 306.225 2.173 0 40 DEAB Cc1cnn(CC(=O)N2CCC[C@H](c3ncc(C)s3)C2)c1 257240496 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O=C1N[C@H](CCc2ccccc2)C(=O)N1C[C@@H](O)c1ccccc1 58248849 KSNOPHGNSUIFSR-IAGOWNOFSA-N 324.380 2.273 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)c1 3326930 GBZDRKWTCYAPAW-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB Cc1ccccc1C(=O)N1CCC(CN2CCOCC2)CC1 36103377 OFRMQPWTJJCQLR-UHFFFAOYSA-N 302.418 2.179 0 40 DEAB COCCCNC(=O)CN(C)Cc1ccc(F)cc1Cl 48374016 UKGOUQIMKFRBKT-UHFFFAOYSA-N 302.777 2.064 0 40 DEAB O=C(c1ccc2c(c1)CCCC2)N1CCN(c2cnccn2)CC1 11086808 HLKFXCGEOVDXOG-UHFFFAOYSA-N 322.412 2.318 0 40 DEAB CN(C)CCOc1cccc(CNC(=O)Nc2nccs2)c1 45814623 CYHUHANKEDXHJI-UHFFFAOYSA-N 320.418 2.405 0 40 DEAB Cn1ncc2c(N3CCC(c4ccc(O)cc4)CC3)ncnc21 29531006 IUQWPDVGWJIKJA-UHFFFAOYSA-N 309.373 2.453 0 40 DEAB CC(C)c1c(/C(O)=N/S(C)(=O)=O)cnn1Cc1ccccc1 48487125 DDTUCRQVZFFYPV-UHFFFAOYSA-N 321.402 2.319 0 40 DEAB CCOCc1ccc(CNC(=O)COCC(F)(F)F)cc1 60501876 JRNXXFYVCBZDKH-UHFFFAOYSA-N 305.296 2.418 0 40 DEAB O=C(Cn1nnc2ccccc2c1=O)Nc1cccc(Cl)c1 3579153 FDPYEAUKDSQJBP-UHFFFAOYSA-N 314.732 2.084 0 40 DEAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCCOC)cc1 4113579 FTEDBWMDHOWHPE-HNNXBMFYSA-N 318.373 2.067 0 40 DEAB O=C(CNC(=O)C1CC1)NCC1(c2cccs2)CCCC1 13803343 CJEHWUZTQOBUQN-UHFFFAOYSA-N 306.431 2.202 0 40 DEAB C[C@@H](OC(=O)[C@H]1CC=CCC1)C(=O)Nc1ccc(C(N)=O)cc1 6291361 HDSAVWJMBQJSKD-YPMHNXCESA-N 316.357 2.012 0 40 DEAB COc1ccccc1CN1CCC[C@@H](CNCCN(C)C)C1 19735521 OZPAOOQAVTXKOP-INIZCTEOSA-N 305.466 2.058 0 40 DEAB in-vitro O=C(CSc1nncn1Cc1ccco1)NC1CCCCC1 14075735 SYSLSADBHAAZTM-UHFFFAOYSA-N 320.418 2.460 0 40 DEAB CCCCN1C(=O)C[C@H](c2ccc(OC)c(OC)c2)NC1=O 65548888 SWRWYZTXZHVDDN-GFCCVEGCSA-N 306.362 2.487 0 40 DEAB OC[C@H]1CCCN1C[C@@H](O)COc1ccc2ccccc2c1 65550041 HJUQFNZHSDORNE-IAGOWNOFSA-N 301.386 2.036 0 40 DEAB O=C(NCc1ccccc1F)NC[C@@H]1COc2ccccc2O1 14165714 STKLLDHCMFSIES-CYBMUJFWSA-N 316.332 2.465 0 40 DEAB C[C@H]1C(=O)N(Cc2ccc(C(N)=O)cc2)C(=O)N1c1ccccc1 14171630 OFUCYBHZSNTMMI-LBPRGKRZSA-N 323.352 2.143 0 40 DEAB Cn1ncc2c(NC[C@@H](c3ccco3)N3CCCC3)ncnc21 14215731 SPFNMSYCBNDMES-ZDUSSCGKSA-N 312.377 2.205 0 40 DEAB Cc1ccccc1NC(=O)Cn1nnc(-c2ccccc2F)n1 6661205 AULQAJQFJUVCLY-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB COc1ccccc1C(=O)Cn1cnc2sccc2c1=O 7495062 NLNVMFZVBCVVOS-UHFFFAOYSA-N 300.339 2.350 0 40 DEAB O=C(COC(=O)c1cc2ccccc2s1)NC[C@H]1CCCO1 7412647 JZFVIXRAVSXDKR-GFCCVEGCSA-N 319.382 2.353 0 40 DEAB COC(=O)N1CC[C@H](NC(=O)C(C)(C)c2ccccc2F)C1 96426634 DVOHTTUPTOTFKG-NSHDSACASA-N 308.353 2.060 0 40 DEAB S=C(NCc1ccco1)NC1=NN(c2ccccc2)CC1 7622842 FFYJLAACFQVZKL-UHFFFAOYSA-N 300.387 2.468 0 40 DEAB C[C@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1sccc1C(N)=O 7828818 GAAAIHBBWYTABF-VHSXEESVSA-N 322.386 2.074 0 40 DEAB COc1ccc(CCN(C)C(=O)c2cnc(C)cn2)cc1OC 8315295 TZFZNLGPVPDHKS-UHFFFAOYSA-N 315.373 2.117 0 40 DEAB C[C@@H](C(=O)Nc1ccc(-c2ccccc2)cn1)S(C)(=O)=O 69462634 PSBDDCNCAVLKCK-NSHDSACASA-N 304.371 2.120 0 40 DEAB Cc1nnc2n1CCN([C@@H](C)c1nc(-c3cccs3)no1)C2 69461591 NLTJKAFTELPHAQ-VIFPVBQESA-N 316.390 2.275 0 40 DEAB Cc1ccc([C@H](O)CNCc2cnc(N3CCCC3)nc2)cc1 71819644 SGBQAYKSGCHGQA-QGZVFWFLSA-N 312.417 2.208 0 40 DEAB Cc1cc(N2CCN(C(=O)CCc3ccccc3)CC2)nc(C)n1 71832791 NWYKRROUMJMWMQ-UHFFFAOYSA-N 324.428 2.375 0 40 DEAB COc1cc(C(=O)N(C)Cc2nnc3ccccn23)ccc1C 69527700 UXMXUSPSHZFURS-UHFFFAOYSA-N 310.357 2.319 0 40 DEAB O=C(c1sccc1C1CC1)N1CCC(N2CCNC2=O)CC1 71836465 ATKAPDXBQIFYQL-UHFFFAOYSA-N 319.430 2.255 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1Cc1ccc(-n2cccn2)cc1 69626075 QOACZUHRXZWEAT-SFHVURJKSA-N 318.380 2.289 0 40 DEAB Cc1cc(S(=O)(=O)N(C)CCc2ccncc2)ccc1F 69706287 GSTFDORGGNKCJK-UHFFFAOYSA-N 308.378 2.392 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69951505 MAPGRIASBAPKIN-ZWKOTPCHSA-N 314.429 2.221 0 40 DEAB CC(C)N(CC(F)(F)F)C(=O)CN1CCO[C@@H]2CCCC[C@@H]21 70693928 FVVQACVWZMAHRA-QWHCGFSZSA-N 322.371 2.429 0 40 DEAB CCc1ncncc1C(=O)OCc1cc2ccccc2[nH]c1=O 71904828 VWIPWZORJNXPTO-UHFFFAOYSA-N 309.325 2.238 0 40 DEAB Cc1cc(C(=O)N(CCO)C2CC2)c(C)n1-c1nccs1 84081467 WRGQTSNWMJFQHL-UHFFFAOYSA-N 305.403 2.148 0 40 DEAB CCc1csc([C@H]2CCCN(C(=O)CCn3ccnn3)C2)n1 72282183 FUYAXHQUVOZOBD-LBPRGKRZSA-N 319.434 2.093 0 40 DEAB CN(C(=O)COC(=O)c1ccc(C=O)cc1)C1CCCCC1 72330021 SAUDRZXDDVAQCA-UHFFFAOYSA-N 303.358 2.447 0 40 DEAB COC(=O)[C@H](C)[C@H](NC(=O)c1cnc(C)cn1)c1ccccc1 72310556 YEKDKXQXIIHISC-DOMZBBRYSA-N 313.357 2.065 0 40 DEAB C[C@@H](C(=O)N1CCC[C@H](c2ccn[nH]2)C1)N1CCCCCC1 72300273 QCZCSETZUUFKJX-GJZGRUSLSA-N 304.438 2.380 0 40 DEAB COC[C@@](C)(CCO)NC(=O)c1ccc2nc(C)ccc2c1 95994496 XIZREYZTOCUVGF-QGZVFWFLSA-N 302.374 2.061 0 40 DEAB COC(=O)NCC(=O)Nc1ccc(Cl)c(Br)c1 95964784 JMNYCISLFJTLGN-UHFFFAOYSA-N 321.558 2.397 0 40 DEAB CNC(=O)NC(=O)CN[C@@H](C)c1cccc(Cl)c1Cl 95985263 PCPTUJUQWOCCQM-ZETCQYMHSA-N 304.177 2.100 0 40 DEAB CC(=O)N1CCOC[C@H]1c1c(C)nn(Cc2ccccc2)c1C 95998475 CRWMYRDDVUEFCW-KRWDZBQOSA-N 313.401 2.468 0 40 DEAB Cc1cc(NS(=O)(=O)N(C)C)nn1-c1cccc(Cl)c1 95990439 OXFMPIGRHIZJMB-UHFFFAOYSA-N 314.798 2.052 0 40 DEAB COc1ccccc1CCNC(=O)N1CCN2CCCC[C@H]2C1 89473631 AEIYIBRPTATAQG-INIZCTEOSA-N 317.433 2.117 0 40 DEAB O=C(NCc1ccc(=O)[nH]c1)[C@@H]1C[C@@]12CCCc1ccccc12 89858212 OFBMCNBTSHBKGQ-QFBILLFUSA-N 308.381 2.285 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)/C=C/c1cnn(-c2ccccc2)c1 89937785 CNFKQGZKSXLETD-XVJNWHFHSA-N 310.401 2.048 0 40 DEAB Cc1cc(C)n2cc(CN3CCC[C@@H]3c3noc(C)n3)nc2n1 75573148 RWRSOBSIKHENAC-CQSZACIVSA-N 312.377 2.375 0 40 DEAB Cc1nc(CN(C)[C@@H]2CCN(CCc3cccs3)C2)no1 76047330 SPDUCIBGVPFHHA-CYBMUJFWSA-N 306.435 2.188 0 40 DEAB CC(C)[C@@H](O)CNC(=O)Nc1cnn(Cc2ccccc2)c1 76092533 NXUVKDGUTGGITA-HNNXBMFYSA-N 302.378 2.070 0 40 DEAB COCCCNC(=O)c1ccc(Cn2nc(C)cc2C)cc1 61341961 GJRRTKATQFVAHT-UHFFFAOYSA-N 301.390 2.315 0 40 DEAB O=C(O)C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)COC3)C1 517534667 HMLGSHJPVQFJKK-ZDUSSCGKSA-N 318.373 2.113 0 40 DEAB CC(C)Oc1cnccc1C(=O)N(C)[C@@H]1CCN(C(C)C)C1 1033295553 MDOIYUZNXMNNRM-CQSZACIVSA-N 305.422 2.424 0 40 DEAB O=C(Cc1cccc(Cl)c1)N1CCN(Cc2ccno2)CC1 72774625 KNYIXGJJJLTQEZ-UHFFFAOYSA-N 319.792 2.215 0 40 DEAB COc1cccc(CN2CCC[C@@]3(CNCC(F)(F)C3)C2=O)c1 1565504858 VHCDNZPUTPEWSP-MRXNPFEDSA-N 324.371 2.433 0 40 DEAB CN(C(=O)CN1CCC[C@H]1C[C@H](O)c1ccccc1)C1CC1 76108060 KNLZAKPDHVNUHH-IRXDYDNUSA-N 302.418 2.195 0 40 DEAB CCCn1nc(C)cc1NS(=O)(=O)c1cnn(C(C)C)c1 72239170 JDORMNICACLMQB-UHFFFAOYSA-N 311.411 2.180 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)c1cncc(Cl)c1N 72210748 SONFSOHCLKZROU-UHFFFAOYSA-N 311.794 2.138 0 40 DEAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1cccc(C(F)(F)F)c1 72324795 CWRPDHISSPOZMD-KCPJHIHWSA-N 314.351 2.345 0 40 DEAB C[C@H](c1ccc(F)cc1F)N1CCN(c2nccnc2N)CC1 78440775 LWRFJMNAWDVJAP-LLVKDONJSA-N 319.359 2.220 0 40 DEAB O=C(NCc1ccccc1)C(F)(F)C(=O)NCc1ccccc1 40546404 SQFGMYBOVVBUCD-UHFFFAOYSA-N 318.323 2.255 0 40 DEAB CC(C)Oc1ccccc1CS(=O)(=O)Cc1ccnn1C 225571484 NXXCABKCPITUDQ-UHFFFAOYSA-N 308.403 2.322 0 40 DEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)Cc2ccccc2)c1 193519718 PKDRAVFLHMPRNO-UHFFFAOYSA-N 318.398 2.084 0 40 DEAB COC[C@H]1CC[C@H]2[C@H](CCN2C(=O)CCc2ccccc2)O1 96186628 ORMIRNNCOVMHHN-IKGGRYGDSA-N 303.402 2.414 0 40 DEAB COc1ccc([C@H](NC(=O)N2CC[C@H](O)C2)C(F)(F)F)cc1 97100265 XDCQTKGZVWRFCW-JQWIXIFHSA-N 318.295 2.075 0 40 DEAB Cc1nccn1CCCCNC(=O)N[C@H](C)c1ccccn1 96437606 GPZDFHMWXPDKEZ-CYBMUJFWSA-N 301.394 2.427 0 40 DEAB C[C@@H](CO)NC(=O)[C@H](C)Cc1ccc(Br)cc1 97230331 UFKHBLXKALOOLQ-ZJUUUORDSA-N 300.196 2.125 0 40 DEAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)c1cccnc1)C2 96056832 IAEBFOASLJOOKJ-NVXWUHKLSA-N 304.390 2.129 0 40 DEAB CC(C)Oc1cccc([C@H](O)CNC(=O)[C@@H](C)n2ccnc2)c1 96408964 QVZXXIGEEFQLKM-CZUORRHYSA-N 317.389 2.081 0 40 DEAB c1cncc(CO[C@H]2C[C@H]3CN(Cc4ccco4)CCN3C2)c1 96055022 ADWRFSHBGVCHRA-WMZOPIPTSA-N 313.401 2.150 0 40 DEAB Cc1ccc(CNC(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)cn1 96446772 BCXGBKWYVZNQOW-UHFFFAOYSA-N 314.389 2.009 0 40 DEAB c1cnc(NCc2n[nH]c3c2CCN(CC2CCCC2)C3)nc1 96084124 JAZYSHNHOOZYND-UHFFFAOYSA-N 312.421 2.360 0 40 DEAB CN1C(=O)c2ccccc2O[C@H]2CN(Cc3ccccc3)C[C@H]21 514290165 TVRCWWFBFOQCKV-AEFFLSMTSA-N 308.381 2.404 0 40 DEAB biogenic,in-vitro CCS(=O)(=O)N1CC[C@@]2(CCN(Cc3ccccc3C)C2)C1 96203105 VSLGAWHSCNYZMO-QGZVFWFLSA-N 322.474 2.243 0 40 DEAB Cc1nc(N(C)C)ncc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 247998924 BIUFLQJPWDSTDY-VZZFWQQMSA-N 302.422 2.406 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2cnccn2)CC1 257262991 LNXBARNOXGRVKG-UHFFFAOYSA-N 313.405 2.155 0 40 DEAB CCn1c(O)nnc1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 390828661 SQWBFLCSHLBLIW-LLVKDONJSA-N 310.398 2.193 0 40 DEAB Cn1cc([C@H]2CN(C(=O)[C@H]3CCCO3)Cc3ccccc32)cn1 575609271 TYIUDSJYQCAACT-IAGOWNOFSA-N 311.385 2.073 0 40 DEAB Cc1ncc(-c2cncc([C@H]3CCCN3S(C)(=O)=O)n2)s1 585261130 HGXURSIALDOQAX-GFCCVEGCSA-N 324.431 2.005 0 40 DEAB O=C(c1nccc2ccccc12)N1CC[C@]2(CCCO2)C(=O)C1 585288645 GNBARLSYXSTANS-GOSISDBHSA-N 310.353 2.199 0 40 DEAB CCOCCN1CCN(CCOc2ccccc2)C[C@H]1CC 70015796 RNNGBYYKQWBCEJ-QGZVFWFLSA-N 306.450 2.498 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H](n2nc(C)nc2C)C1 72235266 NBVRIUSHKYNEHU-ZDUSSCGKSA-N 317.393 2.231 0 40 DEAB CCn1cc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)cn1 43644964 ZDLBQZQBUCRQKC-ZDUSSCGKSA-N 310.304 2.036 0 40 DEAB CCCCOc1nc(N)c2nc(OC)n([C@H]3CCCCO3)c2n1 59865785 PREBKSFTAAUDLM-SNVBAGLBSA-N 321.381 2.295 0 40 DEAB Cc1nc(C)c(CC(=O)Oc2cc(Cl)ccc2C)c(=O)[nH]1 76090980 XOASUPZJNSYDNJ-UHFFFAOYSA-N 306.749 2.497 0 40 DEAB O=C(O)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2Cl)CCO1 91292704 UJRCXMZAPDKZDF-SECBINFHSA-N 318.156 2.309 0 40 DEAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2O)c1 5785162 VJEXJYZMZDQBNA-UHFFFAOYSA-N 313.309 2.390 0 40 DEAB Cc1cc2oc(C(=O)N[C@@H]3CCCOC3)cc(=O)c2cc1C 12194444 APNDALNCDFAPMV-GFCCVEGCSA-N 301.342 2.319 0 40 DEAB COc1cc(CSc2nccc(=O)[nH]2)cc(OC)c1OC 16195250 DFXAWNRCCDDEKK-UHFFFAOYSA-N 308.359 2.088 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccco2)c1 16807979 DEUVHPXSJHNYFU-JTQLQIEISA-N 300.314 2.239 0 40 DEAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccccc3F)C2)cc(=O)o1 206963063 KTCKEFQRJJMHNH-GFCCVEGCSA-N 317.316 2.381 0 40 DEAB COc1ccc(C(=O)NN=C/C(Cl)=C(\Cl)C(=O)O)cc1 257352813 NOXOZPQWEXGSLE-WJGNWRFNSA-N 317.128 2.185 0 40 DEAB Cc1cc(C)n2nc(C(=O)Nc3ccc(F)cc3F)nc2n1 3372569 MLLVEHUHOSJZPD-UHFFFAOYSA-N 303.272 2.272 0 40 DEAB Cc1cnc([C@@H]2CCCN(C(=O)Cc3c(C)n[nH]c3C)C2)[nH]1 1848441962 MPXGJPQZMXYUOO-CYBMUJFWSA-N 301.394 2.007 0 40 DEAB COc1cccc(NC(=O)N(C)C2CN(c3ccccn3)C2)c1 1888876051 HSMXYQRXJKTOSA-UHFFFAOYSA-N 312.373 2.443 0 40 DEAB O=C(N1C[C@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1)C1(F)CC1 1565548468 COOKQZGPHGLWTM-ZIAGYGMSSA-N 306.356 2.218 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)c1 2710795 PHDRPUCBONLQPS-RYUDHWBXSA-N 320.414 2.121 0 40 DEAB Cc1cccc(OCCN2C(=O)N[C@](C)(c3ccco3)C2=O)c1 30343140 XFNAAYAILATKQT-QGZVFWFLSA-N 314.341 2.434 0 40 DEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(F)cc1 66707 SYGXUNUEQYTUJG-ZDUSSCGKSA-N 302.309 2.269 0 40 DEAB COc1cccc2sc(NC(=O)[C@H](NC(C)=O)C(C)C)nc12 40461302 MUMANOUIKJLWPL-GFCCVEGCSA-N 321.402 2.404 0 40 DEAB CC(C)CCNC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1 31735874 JPWMDOCZNIJZKV-NSHDSACASA-N 305.357 2.203 0 40 DEAB O=C(Cc1csc(-c2cccnc2)n1)NC[C@@H]1CCCO1 31868180 JGEMWAODCAAGCQ-ZDUSSCGKSA-N 303.387 2.043 0 40 DEAB CC(C)CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40512009 LGFAXNZMTHSSHU-LLVKDONJSA-N 316.423 2.084 0 40 DEAB C[C@H](NC(=O)CCc1ccco1)c1ccc2c(c1)NC(=O)CO2 40510859 VOEHSNQBLADYBM-NSHDSACASA-N 314.341 2.421 0 40 DEAB COc1ccc([C@@H](C)NS(=O)(=O)c2cccnc2)cc1F 40554971 ZWASMGXORDOPHE-SNVBAGLBSA-N 310.350 2.269 0 40 DEAB CO[C@@H]1CN[C@H](C(=O)N(C)Cc2cccc(Cl)c2Cl)C1 40634560 JECSNQBFTYERDV-JQWIXIFHSA-N 317.216 2.329 0 40 DEAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 32904276 AFCMVKPRLHUKCE-JTQLQIEISA-N 305.378 2.134 0 40 DEAB Cc1cccc(C(=O)NCCCCN2CCN(C)CC2)c1C 41362336 NBXVGZWGJFJJRX-UHFFFAOYSA-N 303.450 2.061 0 40 DEAB COC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C=O 103016108 DWSPEZRLJILEJX-UHFFFAOYSA-N 314.293 2.447 0 40 DEAB CC[C@@H](CNC(=O)c1cn(C)nc1C(F)(F)F)N1CCCC1 53025036 PMOCOBXBMCDJDH-JTQLQIEISA-N 318.343 2.043 0 40 DEAB O=C(COC(=O)C1(O)CCCCC1)NCCC1=CCCCC1 22226263 MUEHYIUAMJDFOZ-UHFFFAOYSA-N 309.406 2.232 0 40 DEAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ccc(F)cc1Cl 22719336 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NC1CCC(S(=O)(=O)c2ccc(Br)cc2)CC1 55143911 XDTVTYWXWGHRRX-UHFFFAOYSA-N 318.236 2.493 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)OCO2 12616157 RDXJXNPLOSWYRO-TXEJJXNPSA-N 319.357 2.362 0 40 DEAB CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 84743112 FYGPKFTTYUVHCF-GOEBONIOSA-N 303.406 2.298 0 40 DEAB O=C1[C@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1C1CCCCC1 101184749 IQFMCSUERRNACD-HIFRSBDPSA-N 316.332 2.246 0 40 DEAB C[C@H]1CCCCN1C(=O)COc1ccc2c(c1)CCC(=O)N2 44836209 MYTOJZFLUQAUKJ-LBPRGKRZSA-N 302.374 2.351 0 40 DEAB C[C@@H]1CCN(C(=O)CN2CCC[C@H](O)C2)c2ccccc2S1 44867492 ULTRYUGMBRTMPF-KGLIPLIRSA-N 320.458 2.361 0 40 DEAB Cc1c(C(=O)N2CCOC[C@H]2C)cnn1-c1ccccc1F 44912309 SPCZQLGXLPGLMC-LLVKDONJSA-N 303.337 2.181 0 40 DEAB COc1cccnc1NC(=O)CCn1c(=O)oc2ccccc21 58432540 NRQPNMZTMUNGOG-UHFFFAOYSA-N 313.313 2.027 0 40 DEAB Cc1nc(C)c(C(=O)NCCCN2CCCCCC2=O)s1 48344892 XGEMWYMMLKJEKD-UHFFFAOYSA-N 309.435 2.282 0 40 DEAB CN(C)c1cc(CNC(=O)Cc2c[nH]c3ccccc23)ccn1 48333765 MYOKEBYHSYIIGA-UHFFFAOYSA-N 308.385 2.488 0 40 DEAB O=S(=O)(NC[C@@H]1CCOC1)c1ccccc1C(F)(F)F 45743305 GZOBVRVDBIBDAB-VIFPVBQESA-N 309.309 2.020 0 40 DEAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccn1 2656941 AOSQLVUBXDEHRK-UHFFFAOYSA-N 319.434 2.367 0 40 DEAB COc1ccc(NC(=O)COC(=O)COc2ccccc2)cc1 2652845 WWYLEEZIBZMWAM-UHFFFAOYSA-N 315.325 2.256 0 40 DEAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc(C(N)=O)cc1 3503736 AEBLNAFQCIWHHU-JTQLQIEISA-N 302.305 2.331 0 40 DEAB c1cncc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 48680920 SZFIOZWJXKFDMB-UHFFFAOYSA-N 308.341 2.490 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)NC2CCCCC2)ccc1C 408604990 MIPFURDIUPDICR-UHFFFAOYSA-N 324.446 2.356 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N(C)CCc1cnccn1 95457805 FTLAIXCISYCZRZ-UHFFFAOYSA-N 321.384 2.285 0 40 DEAB C[C@H](CO)CS[C@@H](C(N)=O)c1cccc(Br)c1 95448539 KHXGPVIRABHUNE-LDYMZIIASA-N 318.236 2.337 0 40 DEAB COc1ccc(S(=O)(=O)Oc2ccc(C(=O)O)cc2)cc1 13341805 CFOCFGGNQSAPMA-UHFFFAOYSA-N 308.311 2.161 0 40 DEAB NC(=O)CC1CCN(C(=O)CCc2ccccc2Cl)CC1 49393209 BPXSRIFRRSKBPA-UHFFFAOYSA-N 308.809 2.387 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cscc1C)CC2 95407996 YJYMEQQFOGJHQH-ZIAGYGMSSA-N 309.431 2.449 0 40 DEAB CCOC[C@@H]1CCN(C(=O)NC[C@H](C)c2c(C)noc2C)C1 95434966 JWNVUCWQRGPSSA-SMDDNHRTSA-N 309.410 2.463 0 40 DEAB CCC(=O)Nc1ccc(C(=O)CSc2nncn2C)cc1 5118735 NCOQDFQZFHPXHT-UHFFFAOYSA-N 304.375 2.139 0 40 DEAB CCOC[C@@H]1CCN(C(=O)NC[C@@H](C)c2c(C)noc2C)C1 95434964 JWNVUCWQRGPSSA-BXUZGUMPSA-N 309.410 2.463 0 40 DEAB CCC(=O)N[C@H]1CCCN(C(=O)Nc2cccc(OC)c2)C1 65475193 OZPLQRUMFVYGDG-ZDUSSCGKSA-N 305.378 2.218 0 40 DEAB Cc1ccnc(NC[C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)c1 65487578 ZSMVISZLWCNVIV-MRXNPFEDSA-N 312.417 2.023 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccoc2)c1C 14020209 SWIUELAOSORZIM-JTQLQIEISA-N 319.313 2.439 0 40 DEAB Cc1ccnc(NC(=O)CCNC(=O)NC2CCCCC2)c1 14848616 AKBONEDMXKXRKE-UHFFFAOYSA-N 304.394 2.351 0 40 DEAB COc1ccc(CN(CCN)[C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 22579147 UAAWLEXGHZWUTA-RVKKMQEKSA-N 305.466 2.185 0 40 DEAB Cn1nc(C(=O)Nc2ccc(-c3nccs3)cc2)ccc1=O 9494211 NSEPFZPZLAUNFL-UHFFFAOYSA-N 312.354 2.156 0 40 DEAB Nc1nc(N)nc(CSCc2ccc(C(F)(F)F)cc2)n1 15495139 PNVPZPWBNYIFMD-UHFFFAOYSA-N 315.324 2.488 0 40 DEAB CCOc1ccc(NC(=O)N[C@@H]2CCc3nnc(C)n3C2)cc1 95998835 JVTFNFHMHPGICS-CYBMUJFWSA-N 315.377 2.122 0 40 DEAB C[C@H](O)CN(C)C(=O)N[C@@H]1CCCC[C@@H]1Oc1ccccc1 96490377 YMBIHLNJYHGEKD-IMJJTQAJSA-N 306.406 2.399 0 40 DEAB CC1CCC(NC(=O)[C@@H](C)Sc2ncc(CO)n2C)CC1 96455734 AXJWXWXXIDFJHF-MOENNCHZSA-N 311.451 2.088 0 40 DEAB C[C@@H](CN(C)C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1 85792486 PHAFBIXQFWRGFT-HOTGVXAUSA-N 324.490 2.394 0 40 DEAB CCS[C@@H]1CCCCN(CC2CCS(=O)(=O)CC2)C1 89275180 AMMDBBNRGYZRIE-CQSZACIVSA-N 305.509 2.419 0 40 DEAB COc1cccc(CC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)c1 80718495 SVVNLLUOHUJIDN-MQVJKMGUSA-N 302.418 2.369 0 40 DEAB CN(C)[C@@H](CNCCn1c(=O)oc2ccccc21)c1ccco1 69157780 DGPWHHSXAWSVTQ-AWEZNQCLSA-N 315.373 2.080 0 40 DEAB CCn1nc(C)c(NC(=O)Nc2ccn(CCOC)n2)c1C 83836723 FDYHSROGMYUBCR-UHFFFAOYSA-N 306.370 2.007 0 40 DEAB Cc1cccc(C2(NCCCN3C(=O)CNC3=O)CCCC2)c1 71905283 GEVOLTAERQIIBG-UHFFFAOYSA-N 315.417 2.296 0 40 DEAB CNc1snc(C)c1C(=O)NCCc1ccc(OC)cc1 16969870 KUERQNBBBMPQCJ-UHFFFAOYSA-N 305.403 2.474 0 40 DEAB CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCCc1ccco1 69584185 VFWOEZPTTHDBPP-ZDUSSCGKSA-N 324.446 2.276 0 40 DEAB CN(C)CCNc1ncnc2c1cnn2-c1cccc(Cl)c1 8583028 YBRDVTCYCHHQPU-UHFFFAOYSA-N 316.796 2.442 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccco1)C2 69738907 UALUDPAPQKIHPC-VXGBXAGGSA-N 300.362 2.140 0 40 DEAB Cc1cc(=O)c(C(=O)N2Cc3cc(F)ccc3C[C@@H]2C)c[nH]1 73885799 HUACQGPLFFQEJH-NSHDSACASA-N 300.333 2.409 0 40 DEAB CC(C)[C@H](NC(=O)N(C)C1CCOCC1)c1nc(C2CC2)no1 74874054 YWACCNAMACAERS-ZDUSSCGKSA-N 322.409 2.465 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCCN2[C@@H](C)c2nnc(C)o2)n1 69879811 KALJHJGAWPTJOS-IINYFYTJSA-N 304.398 2.202 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)cs1 69815008 GHBAXJXQSVGISA-KGLIPLIRSA-N 307.463 2.333 0 40 DEAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CNC(=O)Cc1ccccc1 69970595 MEPUHLGRJHIRJL-VBKZILBWSA-N 322.408 2.395 0 40 DEAB C[C@H](O)CNCc1cn(-c2ccccc2)nc1-c1cccnc1 8718756 ZNLNJJKKGZWARC-AWEZNQCLSA-N 308.385 2.405 0 40 DEAB CC[C@H]1CCCCN1C(=O)CN(CCO)Cc1ccccc1 70927109 CNWHHMISDOMWTG-KRWDZBQOSA-N 304.434 2.272 0 40 DEAB COc1ccc(C(=O)N[C@H](CC(=O)O)c2cccs2)cn1 72277024 DMZIFFUBWLQTIC-SNVBAGLBSA-N 306.343 2.098 0 40 DEAB Cc1ccc(OCc2nnc(C)n2C)c(C(=O)NCC(C)C)c1 97114846 NBXHRSCHIHDXPT-UHFFFAOYSA-N 316.405 2.397 0 40 DEAB COc1ccc(-c2nn3c(-c4cnn(C)c4)nnc3s2)cc1 72406432 HTEYCYIXUZTOLR-UHFFFAOYSA-N 312.358 2.262 0 40 DEAB NC(=O)C1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 9949952 UHNVHVPVEDSFFM-UHFFFAOYSA-N 306.362 2.378 0 40 DEAB CCOc1ccccc1CN(C)[C@H](C)C(=O)Nc1ncccn1 75612716 XYXWNBTWEVPWHJ-CYBMUJFWSA-N 314.389 2.334 0 40 DEAB C[C@H](CNC(=O)NC[C@@H]1CCCOC1)Oc1ccccc1F 175747883 AMFJEAKLIPIWGK-OLZOCXBDSA-N 310.369 2.319 0 40 DEAB COc1cc(N[C@@H]2CCN(c3ccccc3Cl)C2=O)nn1C 548140064 SZVOXQBPMROIRZ-LLVKDONJSA-N 320.780 2.300 0 40 DEAB Cc1ccsc1CNC(=O)c1ccc2c(c1)OCC(=O)N2 25720534 GCZKPJMVCGEBJW-UHFFFAOYSA-N 302.355 2.317 0 40 DEAB CC(C)[C@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)O 35685900 JCBOAIIOZIKMLM-AWEZNQCLSA-N 307.371 2.227 0 40 DEAB CC[C@]1(C)CN(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CCO1 188149858 XPXUYSLMSUIKBW-SJKOYZFVSA-N 322.453 2.178 0 40 DEAB Cn1cccc1CN1CCc2nc(-c3ccncc3)nc(O)c2C1 72339814 LEHQXGBUXWBJMA-UHFFFAOYSA-N 321.384 2.141 0 40 DEAB Fc1ccc(-c2nnc3sc(Cn4cccn4)nn23)cc1 40287797 CZTOZXMMOUULRK-UHFFFAOYSA-N 300.322 2.237 0 40 DEAB Cc1cccc(CNC(=O)CCN2C(=O)c3ccccc3C2=O)c1 44439232 OMLYXZPQOJVQEX-UHFFFAOYSA-N 322.364 2.298 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@@H]1CCCCC[C@@H]1C(=O)OC 88269802 UCWJABLHLLZMIZ-QWHCGFSZSA-N 307.394 2.063 0 40 DEAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N1CCN(C)CC1 224853030 RLKZVZUNGDUGBD-AWEZNQCLSA-N 302.418 2.107 0 40 DEAB Cc1cccc(S(=O)(=O)Nc2c(C)nc(N(C)C)nc2C)c1 224294927 VQGPSDYNOZFIAB-UHFFFAOYSA-N 320.418 2.269 0 40 DEAB CC(=O)c1ccc(CCNC(=O)c2c(C)nn(C)c2C)s1 225672880 WIJWZWNRPWRDSQ-UHFFFAOYSA-N 305.403 2.274 0 40 DEAB O=C(NC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)O1 96187267 FVTSSBWMGISGMP-BRWVUGGUSA-N 318.392 2.226 0 40 DEAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3ccco3)CC(=O)N2C)cc1 96181300 YKKJAJKSEVQYJJ-RDJZCZTQSA-N 312.369 2.424 0 40 DEAB Cc1cccc2nc(CN(C)[C@H]3CCC[C@@H]3S(C)(=O)=O)cn12 96460099 GYYGNCLXMYQWFC-GJZGRUSLSA-N 321.446 2.040 0 40 DEAB CCC(=O)N1CC[C@H]2OCCC[C@]2(COc2ccccn2)C1 96040444 VETLYKFUVQIOFM-RHSMWYFYSA-N 304.390 2.268 0 40 DEAB COc1ccc(CNC[C@H]2COCc3nc4ccccc4n32)cn1 96112715 AIQGTMBVOFGPNA-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro O=C1N(CC2CC2)CCC12CCN(CC1CCOCC1)CC2 96046886 QWRCCFCLTVVBQI-UHFFFAOYSA-N 306.450 2.138 0 40 DEAB CCn1ncc2c1CN(C(=O)Cc1cccs1)C[C@@H]2COC 96044583 OHTIGMXTVUEGDA-GFCCVEGCSA-N 319.430 2.279 0 40 DEAB COc1cc(N2CCC[C@]3(CCN(CC(C)C)C3)C2)ncn1 96046937 XDGXWQHSIFQLQK-QGZVFWFLSA-N 304.438 2.434 0 40 DEAB CC(C)c1cc(C(=O)Nc2ccon2)nc(N2CCCC2)n1 96101269 DSLBBSIEKPTIGG-UHFFFAOYSA-N 301.350 2.441 0 40 DEAB C[C@@]1(C(=O)NC[C@@H]2CCCO2)CC(c2ccccc2F)=NO1 96192670 FFDSHNARILGTPM-ZBEGNZNMSA-N 306.337 2.004 0 40 DEAB CC(C)CN1CCC2(CCN(C(=O)c3ccco3)CC2)C1=O 96046774 NPQQXGKGADTZNN-UHFFFAOYSA-N 304.390 2.390 0 40 DEAB Cc1cccc(C(=O)N[C@H]2CC(=O)N(CC(F)(F)F)C2)c1C 96414052 NPOGVNQDCLFXFY-NSHDSACASA-N 314.307 2.196 0 40 DEAB COC[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C 248010475 DSHGVWCZWOSZBT-LBPRGKRZSA-N 303.362 2.016 0 40 DEAB c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)c1 253479037 OIKWPODUUSYQHE-BZSNNMDCSA-N 304.434 2.394 0 40 DEAB O=C(C[C@@H]1CCOc2ccccc21)N[C@@H]1CCc2nccn2C1 72287269 WWVJWOWCSHRGRQ-UONOGXRCSA-N 311.385 2.271 0 40 DEAB C[C@H](Sc1nnc(N)s1)C(=O)NCCc1cccs1 57779221 JNZLCAWEVJUVLH-ZETCQYMHSA-N 314.461 2.021 0 40 DEAB CCCc1nsc(NC(=O)C2CCN(C(=O)C3CC3)CC2)n1 58325054 YAHXVWZHJLZKGD-UHFFFAOYSA-N 322.434 2.078 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(F)cc1 5466440 QLWCVZBTUGBBMU-UHFFFAOYSA-N 301.317 2.456 0 40 DEAB CCOCCCNc1c(C(C)=O)nnn1-c1ccc(F)cc1 12115201 FFFHIAVFZXIUCF-UHFFFAOYSA-N 306.341 2.448 0 40 DEAB Cc1ccccc1C1=NO[C@@H](C[C@@]2(C(=O)O)CCCNC2)C1 12157332 VSIJIVUQOAHODA-DYVFJYSZSA-N 302.374 2.333 0 40 DEAB O=C(NCCCc1ccccc1)C1CCN(c2ncccn2)CC1 13655280 PDYLAMVGLHDAQC-UHFFFAOYSA-N 324.428 2.442 0 40 DEAB CC(C)c1nn2c(=O)cc(COC(=O)C(C)(C)C)nc2s1 15733980 OZURDPJGGXQYIM-UHFFFAOYSA-N 309.391 2.364 0 40 DEAB COc1ccc(CN(CCN)[C@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 19358906 UAAWLEXGHZWUTA-RKVPGOIHSA-N 305.466 2.185 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169356248 NUKVTKVDDZWCBT-CZPYZCIJSA-N 311.337 2.314 0 40 DEAB O=C(Cn1ccc2ccccc21)N1CC(OCC(F)(F)F)C1 390831518 SHNSLIKSAVARRG-UHFFFAOYSA-N 312.291 2.431 0 40 DEAB Cc1cc(N2CC(Cn3cc(Br)cn3)C2)nc(C)n1 1888854054 DVNHHOVOKHLIBB-UHFFFAOYSA-N 322.210 2.189 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CC[C@@H](Oc2ccccn2)C1 238905354 RUPKDHLIJKPRRV-OAHLLOKOSA-N 300.333 2.443 0 40 DEAB O=C(NCCOc1ccccc1)C(=O)Nc1ccc(Cl)cc1 3094722 NRGIEKPFKMTRLV-UHFFFAOYSA-N 318.760 2.474 0 40 DEAB C[C@@H](Cc1cccs1)NC(=O)C(=O)NCc1ccc(F)cc1 38566147 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Cc1ncc(CN(C)C2=NS(=O)(=O)c3ccccc32)s1 76845086 MMNIRAGBMFNNJN-UHFFFAOYSA-N 307.400 2.032 0 40 DEAB CCN(CC)C(=O)CN(C)C(=O)CCCOc1cccc(C)c1 61507752 FHNTUYYPVOLXEU-UHFFFAOYSA-N 320.433 2.481 0 40 DEAB CCOC(=O)[C@H]1CCN(C(=O)c2ccccc2)[C@@H](CC)C1=O 1662207 IUBQRHZMUBZXRZ-KBPBESRZSA-N 303.358 2.060 0 40 DEAB C[C@@H](Sc1nnnn1C)C(=O)N1CCC[C@@H]1c1cccs1 22785012 BPSXMSWLAKMURL-NXEZZACHSA-N 323.447 2.116 0 40 DEAB CCN1CCN(C(=O)c2ccc(N3CCCCC3)cc2)CC1 7505054 RBIPBANQELKCAG-UHFFFAOYSA-N 301.434 2.455 0 40 DEAB O=C(O)c1ccc(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)cc1 12564530 LLBYTLGUYITGSH-CQSZACIVSA-N 310.309 2.129 0 40 DEAB CC(C)=CC(=O)N1CSC[C@H]1C(=O)NCc1ccccc1 24671979 MAOQNFDFACWRQI-AWEZNQCLSA-N 304.415 2.171 0 40 DEAB O=C(NC1CCN(c2ncccn2)CC1)N1CCc2ccccc21 43229129 AORZHGRULPLRGY-UHFFFAOYSA-N 323.400 2.218 0 40 DEAB COc1ccc(OCC(=O)NCc2nc3ccccc3[nH]2)cc1 1429951 AUYBOASOBMITRJ-UHFFFAOYSA-N 311.341 2.267 0 40 DEAB Cc1ccc(C(=O)Nc2ncccc2C)cc1NS(C)(=O)=O 43523024 GCXZXJJHJCPBDD-UHFFFAOYSA-N 319.386 2.322 0 40 DEAB O=C(COc1ccc(F)cc1Br)Nc1cn[nH]c1 35237411 SDZJDLQDEHHXET-UHFFFAOYSA-N 314.114 2.329 0 40 DEAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1CCC(=O)N1CCOCC1 71914930 QBXPOMIWPRXXHL-GOEBONIOSA-N 320.408 2.252 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN2C[C@@H](C(N)=O)CC[C@H]2C)cc1 108368260 DEXSYIVQVAQZQK-HIFRSBDPSA-N 312.417 2.471 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cscn1 57992152 LFANQRWEYQGBBO-CYBMUJFWSA-N 321.402 2.149 0 40 DEAB CN(Cc1nc2ccccc2[nH]1)S(=O)(=O)c1ccccc1 28037597 DZAOMKYXJHBKOG-UHFFFAOYSA-N 301.371 2.384 0 40 DEAB Cc1cc(C)cc(NC(=O)NCCCN2CCN(C)CC2)c1 58161931 JJRQWQKIBWCDOZ-UHFFFAOYSA-N 304.438 2.062 0 40 DEAB COc1ccccc1[C@H](C)NS(=O)(=O)N1CCCCCC1 12799201 JUIFETXPOXPYPX-ZDUSSCGKSA-N 312.435 2.467 0 40 DEAB CCc1nnc(NC(=O)CCCn2c(C)csc2=O)s1 8924291 IIIGYFCINUWPOR-UHFFFAOYSA-N 312.420 2.051 0 40 DEAB Cc1cccc(NC(=O)CCNC(=O)Cc2ccc(F)cc2)n1 58283115 VYEHCVUMRADWNL-UHFFFAOYSA-N 315.348 2.217 0 40 DEAB Cc1cc(C(=O)NCCNc2nc3ccccc3s2)n(C)n1 58298647 ZTWNTANLWCZLPP-UHFFFAOYSA-N 315.402 2.180 0 40 DEAB CCC[C@H](NC(=O)Nc1cnn(CC(N)=O)c1)c1ccccc1 44972932 PUXNMPUIAYBZEL-AWEZNQCLSA-N 315.377 2.031 0 40 DEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H]1c1ccc(Cl)cc1 95401968 QEAHVPRKJUWRPQ-YPMHNXCESA-N 313.806 2.048 0 40 DEAB COc1c(CNC[C@H](c2ccsc2)N(C)C)c(C)nn1C 58343030 IROLCVCACFYECJ-CQSZACIVSA-N 308.451 2.191 0 40 DEAB CS(=O)(=O)Nc1cccc(CNC(=O)c2ccsc2)c1 10548519 FBSZRMSIQYSGLP-UHFFFAOYSA-N 310.400 2.050 0 40 DEAB CNc1nnc(SCCS(=O)(=O)c2ccccc2)s1 11541472 LWISJYOMXXMAMA-UHFFFAOYSA-N 315.445 2.146 0 40 DEAB CCc1nc(CNC(=O)c2cccc(Br)c2)no1 108014177 JGEXZLSLHIGQMB-UHFFFAOYSA-N 310.151 2.325 0 40 DEAB C[C@@H]1CN(C(=O)c2ccco2)[C@H](C)CN1C(=O)c1ccco1 2744880 OBPVUYKOLOBOLB-VXGBXAGGSA-N 302.330 2.248 0 40 DEAB C[C@H](C(=O)Nc1ccc2c(c1)OCO2)n1nnc2ccccc21 12937081 AYFCEPFCFSLILP-SNVBAGLBSA-N 310.313 2.360 0 40 DEAB COCCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OC)=C1C 13005657 FLVQUNNOMGYXIW-OAHLLOKOSA-N 318.373 2.155 0 40 DEAB COc1ccc(OC)c(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c1 5025696 VZAKONMJUSEQOD-GHXNOFRVSA-N 321.358 2.348 0 40 DEAB COc1cccc(CNC(=O)COC(=O)c2ccc(F)cc2)c1 6119736 UXEJJJHKCJHILQ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB C[C@H](OC(=O)c1cc2ccccc2s1)C(=O)N1CCOCC1 14121711 RCKYBPXFXDLVGE-NSHDSACASA-N 319.382 2.305 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)NCc1ccc(OC)cc1OC)C(=O)O 6440131 LUFXZELGPZHWKQ-QMTHXVAHSA-N 324.377 2.002 0 40 DEAB Cc1nc(C)c(CNC[C@H]2CCO[C@H]2c2cnn(C)c2)s1 84062495 YANQFUQRWPRJHI-IUODEOHRSA-N 306.435 2.361 0 40 DEAB COc1ccc(Cl)cc1NCC(=O)N[C@@H](C)[C@H]1CCCO1 65623988 CRDBGWFCULAZOW-GXFFZTMASA-N 312.797 2.444 0 40 DEAB Cn1c(S[C@H]2CCCCNC2=O)nnc1-c1ccccc1 14244357 KOLUOKDLVQKFNP-LBPRGKRZSA-N 302.403 2.243 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)NC(C)(C)C)c1C 7130822 KFAVPDQGUYGHKQ-LLVKDONJSA-N 308.378 2.294 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N(C)c1ccccc1 7389492 PMGHQSCWQNOCOU-UHFFFAOYSA-N 307.353 2.368 0 40 DEAB Cc1nnc(SCC(=O)NCc2ccccc2F)n1C1CC1 7533849 NGGLHYXUNVUALR-UHFFFAOYSA-N 320.393 2.469 0 40 DEAB Cc1ccc(N2C(=O)N(Cc3nnc(C)o3)C(=O)[C@@H]2C)cc1 7778120 BIUCOEJIMLYJBE-JTQLQIEISA-N 300.318 2.044 0 40 DEAB CCc1noc(CN2CCC[C@@H]2C(=O)OCc2ccccc2)n1 68855981 NUJCQANAJSVYSR-CQSZACIVSA-N 315.373 2.340 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 70039661 CPBPGFQMECHRJC-CYBMUJFWSA-N 302.378 2.355 0 40 DEAB CCCN(C(=O)CN1CCc2c(ncn2C)C1)C1=CCCCC1 70018137 YKWGIHPHBFTORP-UHFFFAOYSA-N 316.449 2.475 0 40 DEAB COCCn1nc(C(=O)N(C)C2CCCCCCC2)ccc1=O 69348142 YFYCWBAKNGCCAY-UHFFFAOYSA-N 321.421 2.075 0 40 DEAB CN(CCOc1cccc(Cl)c1)Cc1nnnn1C1CC1 69438405 HGHUSIVTXNIZMF-UHFFFAOYSA-N 307.785 2.172 0 40 DEAB Cc1cccc(NC(=O)CN(C)C(=O)c2cc(Cl)ccn2)n1 69537221 VHZFFMUXJQLGSW-UHFFFAOYSA-N 318.764 2.149 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@@H](C(=O)NC(C)C)c2ccccc2)c1 69624868 ZUYHFJZFQUKTGI-NVXWUHKLSA-N 314.433 2.436 0 40 DEAB C[C@H](C(=O)NCc1cccc(COC(C)(C)C)c1)n1cncn1 69663955 IQZGRVMOJQSOHK-CYBMUJFWSA-N 316.405 2.471 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 69664859 UKPPWCQFUNBRBE-SJORKVTESA-N 302.418 2.323 0 40 DEAB Cc1cccn2cc(CC(=O)NCCN3CCC[C@@H](C)C3)nc12 69814922 FQMSNBSJVRUWHM-CQSZACIVSA-N 314.433 2.033 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)SCc1cc(F)ccc1OC 71862850 LOZNLFNRXYFWHI-VIFPVBQESA-N 314.382 2.302 0 40 DEAB COC(C)(C)C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 97084799 ABXHRMSVQLYDCB-UHFFFAOYSA-N 321.356 2.424 0 40 DEAB CN(CCN1CCCC1=O)c1ccnc(Cc2ccccc2)n1 97049920 NTLGTVFQMDRZQS-UHFFFAOYSA-N 310.401 2.126 0 40 DEAB CCOCc1cccc(CNC(=O)c2nccn3ccnc23)c1 95404123 USDQCCYOBMPBFR-UHFFFAOYSA-N 310.357 2.196 0 40 DEAB COc1cccc(/C=C/CCN2CCS(=O)(=O)C[C@@H]2C)c1 95408331 JCTZTXJPVXKROH-ZRFDWSJLSA-N 309.431 2.217 0 40 DEAB CC[C@@H](C)n1cnc(S(=O)(=O)Nc2n[nH]cc2SC)c1 95466386 KADWDZGGYKHCNM-MRVPVSSYSA-N 315.424 2.100 0 40 DEAB O=C(c1ccc(O)nn1)N1CCN(CC2CC2)c2ccccc21 73304656 BAPCDTUPRLNCEZ-UHFFFAOYSA-N 310.357 2.059 0 40 DEAB Cn1ncnc1NC(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984874 DLSUIBYLQYGCGY-NEPJUHHUSA-N 321.768 2.120 0 40 DEAB COC(=O)[C@H](O)C1CCN(CC(C)(C)c2ccccc2)CC1 95986824 SVXDCHBEYKKYJO-MRXNPFEDSA-N 305.418 2.210 0 40 DEAB O=c1cc(CN(CCc2ccccc2)[C@H]2CCOC2)occ1O 89830616 KFWFAHRKPXWCAP-HNNXBMFYSA-N 315.369 2.179 0 40 DEAB Cc1nn(C(C)C)cc1CN[C@@H]1CCN(CC(F)(F)F)C1 545212676 UKXRTOSAJZWBQO-CYBMUJFWSA-N 304.360 2.499 0 40 DEAB Cc1cc(CNC(=O)c2ccc(Cl)cc2)nc(N(C)C)n1 189989769 ICUVOOGMBQHGMW-UHFFFAOYSA-N 304.781 2.434 0 40 DEAB O=c1c2cc3c(cc2ncn1Cc1ccc(F)cc1)OCCO3 32647351 JMZSXTAONCDLBA-UHFFFAOYSA-N 312.300 2.355 0 40 DEAB CCn1nc(C)cc1-c1nc(CC(=O)NC2CCCCC2)no1 78773405 KBYMHJLWBMIOGP-UHFFFAOYSA-N 317.393 2.253 0 40 DEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)C1CC=CC1)[C@@H]3C2 183800753 LASVVSCNXZIJIC-IOASZLSFSA-N 309.431 2.320 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1NCCO 79411006 SPNCDUKKHPBKJA-CVEARBPZSA-N 306.406 2.148 0 40 DEAB CN1CCC[C@@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 72382861 DXIXJWRADYSPAP-AWEZNQCLSA-N 316.449 2.423 0 40 DEAB CNc1ccc([C@H]2CN(Cc3cccnc3NC)CCO2)nc1 72388120 PLJRDABPXQMMFI-MRXNPFEDSA-N 313.405 2.134 0 40 DEAB C[C@H]1CS(=O)(=O)CCN1CCCc1ccc(Cl)cc1 77318620 XNJYCRLLBCDVSC-LBPRGKRZSA-N 301.839 2.392 0 40 DEAB OCCN1CCO[C@H](COc2cc(Cl)ccc2Cl)C1 217495515 QVMUTQCVZLVTOZ-NSHDSACASA-N 306.189 2.065 0 40 DEAB CCOC(=O)C[C@@H](c1cccc(O)c1)c1c(O)cc(C)[nH]c1=O 72326160 YKJXWYJDQVADMO-ZDUSSCGKSA-N 317.341 2.180 0 40 DEAB biogenic CC(=O)Nc1nc(CN2CCC(c3cc[nH]n3)CC2)cs1 71851862 QMWNMEYSBBCWAT-UHFFFAOYSA-N 305.407 2.204 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1c(C)oc(C)c1Br 74051685 WCPSUJNSOPKXJK-ZCFIWIBFSA-N 318.167 2.340 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1 45452851 MUAAMOLCIFXDHN-GFCCVEGCSA-N 316.357 2.172 0 40 DEAB CCS[C@H]1CCCC[C@H]1NCC(=O)Nc1cc(C)nn1C 195571226 XVKSNAOYBLIJQB-OLZOCXBDSA-N 310.467 2.321 0 40 DEAB O=C([C@@H](O)c1ccccc1)N1CCC(n2cc(Cl)cn2)CC1 225568113 OXBHJYQSQAQCHS-HNNXBMFYSA-N 319.792 2.434 0 40 DEAB Brc1cc(CNCCn2cccn2)cc2c1OCO2 48449660 XGPXSFOTYIUEPL-UHFFFAOYSA-N 324.178 2.164 0 40 DEAB COC[C@@H](C)CC(=O)N1CCC(CN)(c2ccccc2)CC1 1578953964 CFCLURJUUZXMLT-HNNXBMFYSA-N 304.434 2.178 0 40 DEAB Cc1ccsc1[C@H](O)CNC(=O)c1c(C)nc2ccccn12 77172077 AISYIVCNDBXENI-GFCCVEGCSA-N 315.398 2.476 0 40 DEAB Cc1ncc(C(=O)N2CCCCC[C@@H]2c2ncon2)c(C)n1 195577310 KSHJKFSVGNPYMQ-CYBMUJFWSA-N 301.350 2.234 0 40 DEAB O=C(COc1ccc2ccccc2c1)NCCc1cncnc1 225589165 OZYFXLXWNBUUKE-UHFFFAOYSA-N 307.353 2.368 0 40 DEAB COc1ccc(CN2CCN3C[C@H](OCC4CC4)C[C@@H]3C2)cc1 96054996 GASPNUSGLRSTIH-IEBWSBKVSA-N 316.445 2.380 0 40 DEAB CC(=O)N1C[C@H](C)CN(C(=O)[C@@H]2CCCOC2)c2ccccc21 96432623 DAQAVCCBCUHCNP-DZGCQCFKSA-N 316.401 2.449 0 40 DEAB COC(=O)C(C)(C)[C@H]1CCCN([C@H](C(N)=O)c2ccccc2)C1 93297909 AVWATIYMJLEOGU-GJZGRUSLSA-N 318.417 2.124 0 40 DEAB C[C@@H](CNC(=O)N[C@H](C)Cn1cncn1)Sc1ccccc1 96439840 FVXQCPZROILSRR-OLZOCXBDSA-N 319.434 2.147 0 40 DEAB C/C(=C\C(=O)NS(C)(=O)=O)c1cccc(C(F)(F)F)c1 98015878 VXOXBHBPYMDDER-SOFGYWHQSA-N 307.293 2.185 0 40 DEAB COc1nn(C)c2c1CCCN(C(=O)CCc1ccccc1)C2 96254464 NPYDGIRZIRDTSH-UHFFFAOYSA-N 313.401 2.336 0 40 DEAB CSC[C@@H](C)NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 96436834 NCJACHOHAAWELJ-GDBMZVCRSA-N 322.474 2.145 0 40 DEAB CCc1cc(NC(=O)N[C@H](C)CCc2cccn2C)n(C)n1 96434943 ZNEMMTLMCKBSAS-GFCCVEGCSA-N 303.410 2.464 0 40 DEAB CCS(=O)(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 97103168 SXRDWIFDHMWUHR-BETUJISGSA-N 312.435 2.057 0 40 DEAB CC(=O)NCCCNC(=O)N1C[C@@H](C)C[C@@H]1c1cccc(F)c1 96437583 STLJQEAKMGNISS-BLLLJJGKSA-N 321.396 2.444 0 40 DEAB C/C(=C\C(=O)NS(C)(=O)=O)c1ccccc1C(F)(F)F 98015877 PHUHGEOTYHLZBS-BQYQJAHWSA-N 307.293 2.185 0 40 DEAB Cc1ccc(O)c(CN(C)CC(=O)Nc2cc(F)cc(F)c2)n1 93012495 XLLRVMVBQZMOGA-UHFFFAOYSA-N 321.327 2.444 0 40 DEAB CCOc1ncccc1C(=O)N1CC[C@H](c2nccc(C)n2)C1 257216134 CTFXCXIVEDSHND-ZDUSSCGKSA-N 312.373 2.208 0 40 DEAB Cc1c[nH]c([C@H]2CN(Cc3ccc4c(c3)OCCO4)CCO2)n1 257200058 ABWBCKWXHRVPQO-MRXNPFEDSA-N 315.373 2.063 0 40 DEAB COc1cccc([C@@H](O)CNc2cc(N3CCCC3)ncn2)c1 277327486 DUTYZAMBHCTWSA-HNNXBMFYSA-N 314.389 2.231 0 40 DEAB O=C(NCc1ccc(-c2ccoc2)nc1)NC[C@H]1CCCO1 390832266 YHAAMRGLCMODSP-CQSZACIVSA-N 301.346 2.320 0 40 DEAB CO[C@H]1CSC2(C1)CN(C(=O)c1ccc3c(c1)COC3)C2 575406641 ZMNQNADRFSRSRM-CQSZACIVSA-N 305.399 2.063 0 40 DEAB CCn1cc(CN2CC[C@](O)(COc3ccccc3C)C2)cn1 585278588 UJFATRCRWXIXSI-GOSISDBHSA-N 315.417 2.227 0 40 DEAB CC[C@H](C)N1C[C@]2(CCCN(Cc3cnc(Cl)cn3)C2)C1=O 585099297 CCQMDKBCFPDWRX-BLLLJJGKSA-N 322.840 2.353 0 40 DEAB Cc1nnsc1CN[C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585290015 YZKOQDPOCPOLMK-SQWLQELKSA-N 319.430 2.297 0 40 DEAB CO[C@H]1CCCN(C(C)=O)[C@H]1CCC(=O)N(C)C1CCCC1 585281090 SURMIDITQUIGCY-HOTGVXAUSA-N 310.438 2.194 0 40 DEAB CNc1snc(C)c1C(=O)NCCCN1CCC(C)CC1 28071040 PPDUXCNCHXPALW-UHFFFAOYSA-N 310.467 2.345 0 40 DEAB CCC(=O)N1CSC[C@H]1C(=O)Nc1cc(C)nn1C(C)(C)C 69440930 KJSRDHFJMFHCPM-NSHDSACASA-N 324.450 2.197 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@H]1Cn1nc(C)cc1C 70005214 YKXZUPFCSLUBFU-AWEZNQCLSA-N 314.389 2.208 0 40 DEAB CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1 71905695 HPKVYNJBLFPJRG-INIZCTEOSA-N 324.425 2.089 0 40 DEAB CNC(=O)c1ccc(CNC(=O)c2cccc3c2ccn3C)cc1 58406455 CIERGOWHQPFUKN-UHFFFAOYSA-N 321.380 2.468 0 40 DEAB CN(C)CCN(C)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 89314255 ZHAXOPFNCKLCIM-YJBOKZPZSA-N 301.434 2.094 0 40 DEAB O=C(NCC1CCC1)N1CCCN(C(=O)c2cccs2)CC1 89799914 WZFGNGCRXQNUMG-UHFFFAOYSA-N 321.446 2.406 0 40 DEAB CC(C)(C)c1nnc(COC(=O)c2ccc(OCC3CCCCC3)cc2)o1 97374550 LIZOLBVWYFQYJE-QMMMGPOBSA-N 372.465 4.683 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N1CC(n2cnc3ccccc32)C1 1775973631 LPQQWIXHYVHINF-UHFFFAOYSA-N 309.373 2.084 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1Cl 5091725 XXVQYRVODRVUJS-DVZHBHJUSA-N 303.745 2.481 0 40 DEAB Cc1cc(-c2nnc3sc(COc4ccccc4)nn23)[nH]n1 5458337 VKGIUIUOZNSELF-UHFFFAOYSA-N 312.358 2.463 0 40 DEAB Cc1ccc(C2=NO[C@H](C[C@@]3(C(=O)O)CCCNC3)C2)cc1 12157345 PTBWTHAKAKKNIL-YOEHRIQHSA-N 302.374 2.333 0 40 DEAB COc1ccc(NC(=O)NCc2nc(-c3cccnc3)n[nH]2)cc1 13565298 RPBYRUGJEYOKCB-UHFFFAOYSA-N 324.344 2.197 0 40 DEAB CCC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580463 OQQSTZSLTVDQQE-GFCCVEGCSA-N 324.446 2.317 0 40 DEAB CC[C@H](C)NC(=O)[C@H](CC)N(c1ccccc1)S(C)(=O)=O 13710936 CRQPNHAUWWTZFO-JSGCOSHPSA-N 312.435 2.146 0 40 DEAB C[C@H]1CN(c2nc(Cc3ccccc3F)cc(=O)[nH]2)C[C@@H](C)O1 19575666 LOGBCHNELSMPCW-TXEJJXNPSA-N 317.364 2.113 0 40 DEAB COC(=O)c1ccccc1NC(=O)c1cc(N)ccc1N(C)C 226324099 CKBKKVMWDGJGAZ-UHFFFAOYSA-N 313.357 2.374 0 40 DEAB O=C(NCc1nc(-c2cccnc2)n[nH]1)C1(c2ccccc2)CC1 12114715 APPUBOFUBWGJRS-UHFFFAOYSA-N 319.368 2.215 0 40 DEAB COc1ccccc1OCC(=O)NCC1CCN(C(C)C)CC1 23127912 BDWQUTLHFKKMPS-UHFFFAOYSA-N 320.433 2.311 0 40 DEAB O=C(NC1CC1)[C@H]1CN(Cc2cccc3ccccc23)CCO1 1889211686 UXECNKDISJUPJD-GOSISDBHSA-N 310.397 2.319 0 40 DEAB C[C@H]1CN(CC(=O)Nc2ccccc2Br)CCO1 24014565 BIBMZVMFVBCXSN-JTQLQIEISA-N 313.195 2.108 0 40 DEAB CCCS(=O)(=O)N1CCN=C1SCc1ccccc1F 2711733 XBIJCWUXEGRPAL-UHFFFAOYSA-N 316.423 2.470 0 40 DEAB CCN(CC)C(=O)NC[C@H]1CC(=O)N(c2ccc(F)cc2)C1 9040113 XJTPWJGKQXHWOJ-GFCCVEGCSA-N 307.369 2.230 0 40 DEAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1Cc2cccnc2C1 585393998 VBLPCXMSKJMPGA-LLVKDONJSA-N 312.325 2.120 0 40 DEAB CS(=O)(=O)N1CCC(N[C@H]2CCCCc3ccccc32)CC1 96402313 KCVNFVBKTFDRHU-KRWDZBQOSA-N 322.474 2.468 0 40 DEAB CCOC[C@@H]1CCCN(C(=O)NCCCn2cc(C)cn2)C1 73057991 AFEALWXHDUDKHW-OAHLLOKOSA-N 308.426 2.040 0 40 DEAB COCCCNC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50081770 XBDJXRBGJPYYKT-ZIAGYGMSSA-N 321.421 2.458 0 40 DEAB CC(=O)Nc1nc(C(=O)N2CCC[C@H]2c2ccncc2)cs1 30577942 AOUSUKYIECTKPB-ZDUSSCGKSA-N 316.386 2.474 0 40 DEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(C2CC2)[nH]n1 30685729 ZRPDUQNKZNJYIZ-GFCCVEGCSA-N 313.357 2.199 0 40 DEAB Cc1nc(COc2ccccc2C(=O)NC[C@H]2C[C@H]2C)no1 40523809 AIYUMFRQIAHJIN-ZYHUDNBSSA-N 301.346 2.343 0 40 DEAB CC[C@H](C)Nc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 363243 IFJONHLXYNDRNC-NSHDSACASA-N 308.430 2.129 0 40 DEAB O=C(NCCCn1cncn1)c1cc2c(s1)CCCCC2 41862154 BCDDKMVUYDVWLX-UHFFFAOYSA-N 304.419 2.429 0 40 DEAB COc1cccc(-c2cc3nc(S)n(N)c(=O)c3s2)c1 103672614 VTIBGLYLQREESJ-UHFFFAOYSA-N 305.384 2.136 0 40 DEAB O=C(O)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1O 41718 ANQRLZBYXQDGFS-UHFFFAOYSA-N 301.254 2.041 0 40 DEAB CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)NCCc2ccco2)C1 78286440 QTKYVNZEQZOGPH-VUCVNMQBSA-N 312.435 2.201 0 40 DEAB CCc1nc2ccccc2c(=O)n1CC(=O)NCc1ccccc1 415944 AAKGTMXOHFLDRC-UHFFFAOYSA-N 321.380 2.275 0 40 DEAB CC[C@@H](C)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 783059 XVRZXWBWXZFCJX-CYBMUJFWSA-N 306.406 2.260 0 40 DEAB CCC12CN3CC(CC)(CN(C1)C3[C@@H]1CCOC(C)(C)C1)C2O 19331458 CJWKUPIDTJTICU-RBJRWOKMSA-N 322.493 2.316 0 40 DEAB biogenic C[C@H](CNc1ncccc1S(N)(=O)=O)Cc1cccs1 78378034 YTODVENZXNQUCF-JTQLQIEISA-N 311.432 2.081 0 40 DEAB COc1cc(NC(=O)NCc2cccnc2)cc(OC)c1OC 12418782 BUSQVWIYBQWAJC-UHFFFAOYSA-N 317.345 2.429 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(-n2ccnc2)cc1 61718794 JJLRVBFICWTFLD-UHFFFAOYSA-N 318.358 2.278 0 40 DEAB O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(Cc1ccccc1)C1CC1 1640681 CFCSBBISFREYTC-PKOBYXMFSA-N 315.413 2.008 0 40 DEAB Cc1c(C)[n+]([O-])c(-c2ccc(Br)cc2)c(C)[n+]1[O-] 1883762 NBGIWHRQDTYBDM-UHFFFAOYSA-N 309.163 2.308 0 40 DEAB c1ccc2c(COC3CN(CCn4cncn4)C3)cccc2c1 79472668 GVRWVAUPUPHXSZ-UHFFFAOYSA-N 308.385 2.332 0 40 DEAB C[C@H](C(=O)N1CCCCCC1)N1CCN(c2nccs2)CC1 54635265 OYNCVMPZHKAGEW-CQSZACIVSA-N 322.478 2.056 0 40 DEAB COc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cn1 6252502 QJWASXCMZBXCFA-UHFFFAOYSA-N 319.748 2.112 0 40 DEAB COc1ccc([C@@H](CNc2cc(Cl)nc(N)n2)N(C)C)cc1 24056396 UZKOTJNWTPVAJV-GFCCVEGCSA-N 321.812 2.436 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)c(C)s1 6679985 PCIMGVJDECVAKR-UHFFFAOYSA-N 310.400 2.217 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1cccc(Cl)c1 6730303 XVVWNLCXRSGHSB-WVWOOGAGSA-N 305.761 2.479 0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)C1 105707589 PTOPLXPIDFKVHK-LUKYLMHMSA-N 308.466 2.286 0 40 DEAB CC(=O)NCc1ccc(C(=O)COC(=O)[C@@H]2CC=CCC2)s1 24849896 XCUFSPMNEKVWBR-GFCCVEGCSA-N 321.398 2.466 0 40 DEAB CCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)o1 24916954 XQBCEMZAYOBHDE-UHFFFAOYSA-N 301.346 2.326 0 40 DEAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cncc(O)c2)c1 95395185 ROWIDPCTXDVFPQ-UHFFFAOYSA-N 313.357 2.115 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccco1)C[C@H]1CCCO1 108356242 NRIKEQPJCFLNCF-DTZQCDIJSA-N 320.389 2.290 0 40 DEAB CC[C@H](C)N(C)CCN[C@H](C)CS(=O)(=O)c1ccccc1 108393821 OZRNELDDQGXAPV-CABCVRRESA-N 312.479 2.169 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)NCc3ccn(C)c3)CCO2)o1 95437645 UEFNVLPACNVSAL-HNNXBMFYSA-N 303.362 2.210 0 40 DEAB CC1=C(C)C(=O)N[C@H](Nc2nc(C)c3cc(C)cc(C)c3n2)N1 25329944 HDVOUWFMXBPLKM-QGZVFWFLSA-N 311.389 2.264 0 40 DEAB Cc1ccc([C@@H]2CCCN2C(=O)CN2CSCC2=O)cc1C 58134526 QIRANQXHPZVYAV-HNNXBMFYSA-N 318.442 2.500 0 40 DEAB Cc1cc(NC(=O)NCc2cccnc2OC(C)C)n(C)n1 44945003 JXXDIOKNRIMRMT-UHFFFAOYSA-N 303.366 2.232 0 40 DEAB CC(C)CCC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 72242267 ZYFMALREOFLAGL-OAHLLOKOSA-N 324.446 2.034 0 40 DEAB CCO[C@@H](C)c1noc(CN2CCC[C@H](c3ccnn3C)C2)n1 72290815 LZHYOKLVBFJHHJ-STQMWFEESA-N 319.409 2.280 0 40 DEAB Cc1cccc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)c1 58379907 SWWVPIKSIRSHMG-UHFFFAOYSA-N 314.307 2.232 0 40 DEAB Cc1cc(C)cc(OCC(=O)OCC(=O)NCc2ccco2)c1 3319975 MTGZTMRPCOVGMW-UHFFFAOYSA-N 317.341 2.135 0 40 DEAB O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(F)cc1F 3334192 HWBPNJXQXKKMMX-UHFFFAOYSA-N 315.279 2.383 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cccc4cn[nH]c34)C2)n1 72235363 FJYPYKPGDXEYHN-AWEZNQCLSA-N 324.388 2.249 0 40 DEAB O=C(Nc1cccnc1)C(=O)N[C@H]1C[C@H]1c1cccc(Cl)c1 72294322 BZTYJBFLLLYVHT-KBPBESRZSA-N 315.760 2.346 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)NCCc1ccccc1F 2413250 CUPKQCQOSCLTER-AWEZNQCLSA-N 310.369 2.255 0 40 DEAB CC[C@]1(C)NC(=O)N([C@@H](C)C(=O)Nc2ccc(C)cc2)C1=O 13074393 WAGZMQHSXXRBNF-ZBEGNZNMSA-N 303.362 2.043 0 40 DEAB O=S1(=O)CC[C@@H](NC(=S)Nc2ccc3ccccc3c2)C1 5033541 GCCNVCPDRHLNBJ-CQSZACIVSA-N 320.439 2.313 0 40 DEAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc2c(c1)OCCO2 5101157 DJDNDYVBTWZIKA-MRVPVSSYSA-N 323.399 2.429 0 40 DEAB CCCNc1cccc(F)c1NS(=O)(=O)c1cn[nH]c1C 97233313 SPIDPALVDOUQGI-UHFFFAOYSA-N 312.370 2.480 0 40 DEAB COC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1 65474860 FVFCMMPQJAIVTL-UHFFFAOYSA-N 313.309 2.269 0 40 DEAB CCOc1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 6533211 MTVIKDHWXDFURZ-UHFFFAOYSA-N 304.375 2.015 0 40 DEAB CN(C)S(=O)(=O)c1cccc(Cn2cnc3ccccc32)c1 14737636 SDBMLJVGGXKLDY-UHFFFAOYSA-N 315.398 2.335 0 40 DEAB NC(=O)c1ccccc1NCC(=O)Nc1cc(F)ccc1F 14810581 IGISPWAGHJSESN-UHFFFAOYSA-N 305.284 2.114 0 40 DEAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccccn1 96257580 OBKRCAOTMIRHNR-BCMYLCSRSA-N 305.403 2.278 0 40 DEAB CNC(=O)CN1CCC(c2c[nH]c3ccc(OC)cc23)CC1 67459615 QDGVLDXLESFEMD-UHFFFAOYSA-N 301.390 2.102 0 40 DEAB COC(=O)CCSc1nnc(-c2cc(OC)cc(OC)c2)o1 7206727 ZEWWVJOTCJMDFX-UHFFFAOYSA-N 324.358 2.409 0 40 DEAB CCOCCC(=O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96497144 QTSVHDGONUYCGE-UHFFFAOYSA-N 319.327 2.492 0 40 DEAB O=C(CCCNC(=O)C1CC1)NCCc1cc2ccccc2o1 96417062 XEYVFYUIQPJNPQ-UHFFFAOYSA-N 314.385 2.398 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@@H]2CCCCc3ccccc32)CC1 70014329 OJBYSPCYNMNWBH-MRXNPFEDSA-N 315.417 2.361 0 40 DEAB Cc1cc(C)n(C[C@H]2CN(Cc3cnc(C)s3)CCO2)n1 69376325 ZIKVRWKSBVDDJI-CQSZACIVSA-N 306.435 2.166 0 40 DEAB CCCOc1ccc([C@@H]2CC(=O)Nc3nc(C)[nH]c(=O)c32)cc1 17028558 DQXNRRUZALTSCK-ZDUSSCGKSA-N 313.357 2.341 0 40 DEAB O=[S@@](CCN1CCc2c(ncn2C2CC2)C1)c1ccccc1 69438008 APLOBIJREMBZCH-JOCHJYFZSA-N 315.442 2.384 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)s1 69489066 CHALMTNIIBKTNZ-JTQLQIEISA-N 306.774 2.458 0 40 DEAB Nc1nccnc1C(=O)NCC1(Sc2ccccc2)CC1 71890892 RAOMKLNEDBHDDD-UHFFFAOYSA-N 300.387 2.114 0 40 DEAB CCOc1ncccc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 69528960 XQHMXZNDSZHAAR-HUUCEWRRSA-N 303.406 2.179 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCC[C@H](n2ccnc2)C1 69660164 QQKUYQKUTYQAKV-LBPRGKRZSA-N 311.345 2.344 0 40 DEAB CCc1c(C(=O)OC[C@H]2C[C@@H]2C)cnn1-c1ccc(OC)nn1 83817579 ZWXDIKRCPLYYSM-WDEREUQCSA-N 316.361 2.046 0 40 DEAB CS(=O)(=O)NCC1(c2cccc(Br)c2)CC1 71909113 YNBGYJZSHCWWGX-UHFFFAOYSA-N 304.209 2.030 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@@H]1C(=O)NC1CC1)c1ccsc1 95436972 QBETXMKQYKWEGP-BXUZGUMPSA-N 321.446 2.304 0 40 DEAB Cc1ccc(NC(=O)NC(C)(C)C)cc1S(=O)(=O)N(C)C 9751027 CEAROBQOESQFKY-UHFFFAOYSA-N 313.423 2.165 0 40 DEAB CCC[C@H]1SCCN1C(=O)c1cnc2ccccn2c1=O 89950098 KNKSOGWVTQPHIK-CYBMUJFWSA-N 303.387 2.010 0 40 DEAB C[C@H]1CCCCN1C(=O)Cn1c(C(F)(F)F)csc1=O 76092679 BYLDLURARVSBQY-QMMMGPOBSA-N 308.325 2.330 0 40 DEAB CCOC(=O)c1cc2c(=O)n(-c3ccccc3N)ccc2nc1C 32298711 CICPNJCYPDMCBQ-UHFFFAOYSA-N 323.352 2.453 0 40 DEAB CCc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCO3)cc1 72227597 LHMNTBQOUZIOAF-SJORKVTESA-N 310.353 2.393 0 40 DEAB Cn1c(C2CC2)nc2cc(NC[C@@H](O)Cn3cccn3)ccc21 566128847 MSSGIRUGQIBZFS-CQSZACIVSA-N 311.389 2.120 0 40 DEAB OC1(c2csc(CN3CCC3)n2)CCN(CC2CC2)CC1 225421946 IXJBNQKZMGKXFX-UHFFFAOYSA-N 307.463 2.042 0 40 DEAB biogenic,in-vitro O=C1c2cnc(N3CCCCC3)nc2CN1Cc1cccnc1 41123085 RBSVCBNLOSZTGH-UHFFFAOYSA-N 309.373 2.018 0 40 DEAB COC(=O)c1cc(NC(=O)[C@](C)(OC)C2CC2)ccc1OC 225811632 BLSSQCYRMIOLGI-MRXNPFEDSA-N 307.346 2.235 0 40 DEAB COCCNC(=S)Nc1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 223886034 GOHDJOVAZYTDRG-CHWSQXEVSA-N 322.478 2.497 0 40 DEAB COC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21 40175595 JFKDJEXVPYPROZ-UHFFFAOYSA-N 310.147 2.245 0 40 DEAB CSCc1ccccc1NC(=O)N[C@H]1CCc2ncnn2C1 97104121 PQCQSDITZWEMPB-LBPRGKRZSA-N 317.418 2.278 0 40 DEAB Cc1[nH]cc(C(=O)N(C)CC2CCC2)c(=O)c1Br 96500635 JOCJCWJUQXIITL-UHFFFAOYSA-N 313.195 2.318 0 40 DEAB COC(=O)CCCN(C)C1CCN(C(=O)c2ccccc2)CC1 96409568 ZMWQPDJHLCGWQW-UHFFFAOYSA-N 318.417 2.176 0 40 DEAB CN(C[C@H]1CCCO1)C1CCN(CCc2ccccn2)CC1 95408731 QMROSXJOEXAYAM-GOSISDBHSA-N 303.450 2.199 0 40 DEAB CSc1nc(C(=O)OCCCn2cccn2)c2ccccn12 96442046 QOELZHAYVDTVLI-UHFFFAOYSA-N 316.386 2.500 0 40 DEAB Cc1noc([C@@H]2CCO[C@@H]3CCN(C(=O)c4ccco4)C[C@@H]32)n1 96066367 PQZAOPJPUYNKFQ-JHJVBQTASA-N 317.345 2.006 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1cc(C)c(F)cc1Cl)C(N)=O 96469291 BSZRELCVDUEHEJ-JVXZTZIISA-N 300.761 2.417 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)N3CCCC3)C[C@H]3OCC[C@H]32)o1 96057606 OYZXYZDCAPHPJP-USXIJHARSA-N 318.417 2.190 0 40 DEAB COC[C@@H]1C(=O)NCC12CCN(Cc1cc(C)ccc1C)CC2 96208626 MNMWOCCKEQXMIO-QGZVFWFLSA-N 316.445 2.278 0 40 DEAB O=C(c1cccnc1)N1CCC[C@H]1c1nccnc1-c1ncc[nH]1 257221286 DOHLSSBAIFBEBG-ZDUSSCGKSA-N 320.356 2.239 0 40 DEAB CCN1C(=O)CC[C@@H]2N(Cc3cnn(C)c3)CCCC[C@@]21C 257294517 QUNNNDYLOMGSDI-RDJZCZTQSA-N 304.438 2.176 0 40 DEAB Cc1cccc(C(=O)N(C)[C@@H]2CC[C@@H](N3CCCC3)[C@@H]2O)c1 257217338 CYNQLSGGDNHOBC-BRWVUGGUSA-N 302.418 2.055 0 40 DEAB CN1CCC(Cc2ccccc2)(C(=O)NCc2ccnnc2)CC1 257291334 QGNJTYWYVCZDCS-UHFFFAOYSA-N 324.428 2.048 0 40 DEAB CC(C)(C)C(=O)N1CC[C@@H](Cc2cnc(-c3cn[nH]c3)cn2)C1 257213479 CHSYKXUMEJBKHN-LBPRGKRZSA-N 313.405 2.304 0 40 DEAB CN1CCCN(C(=O)COC[C@H]2CCCO2)c2cc(F)ccc21 72293342 HMRQFKSSAWWHNQ-CQSZACIVSA-N 322.380 2.194 0 40 DEAB Cc1cnc(OC[C@@H]2CCCN(C(=O)c3cnoc3C)C2)nc1 1776001275 JFWWCVDXZRDLSE-CYBMUJFWSA-N 316.361 2.013 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCCN([C@H]2CCSC2)CC1 1565522659 WXKFBIKKJHRHQP-INIZCTEOSA-N 322.449 2.408 0 40 DEAB CN(CCCNc1ccccc1)C(=O)c1nccn2ccnc12 95404195 ZTXCTMJRWNLONN-UHFFFAOYSA-N 309.373 2.304 0 40 DEAB CN(C)C(=O)[C@H](Cc1ccccc1)Nc1ccc2nccnc2n1 95975483 GNALKPWUHNZBTP-HNNXBMFYSA-N 321.384 2.136 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NC2CCCC2)c1 13098167 WKCXDCLRZSKOBS-UHFFFAOYSA-N 324.446 2.031 0 40 DEAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1=COCCO1 14708082 JVSKACJWNVVNKR-UHFFFAOYSA-N 324.764 2.003 0 40 DEAB Cc1cc([C@@H]2CCCCCN2S(=O)(=O)N2CCCC2)no1 19119489 DVRIFMLOZYJQIY-AWEZNQCLSA-N 313.423 2.241 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19462839 XFQQQQYTIVZRAC-RISCZKNCSA-N 311.385 2.285 0 40 DEAB COC(=O)CN1C(=O)S/C(=C/C=C\c2ccccc2)C1=O 205764523 OWICUWOFEHTCQL-JWAJRPJHSA-N 303.339 2.452 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)NCc1ccc(F)cc1 35898180 USXPMSXORIYBAA-OSRDXIQISA-N 303.333 2.355 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(Cc3cncn3C)C2)c1 643913533 ATHAOLUNDVOJFF-SFHVURJKSA-N 315.417 2.134 0 40 DEAB CNC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 6053835 PCOMOZFNQLODPV-UHFFFAOYSA-N 310.309 2.398 0 40 DEAB CCOc1cc2c(cc1CSc1nnnn1C)O[C@@H](C)C2 9051700 NYWOLTWNSQZEDC-VIFPVBQESA-N 306.391 2.225 0 40 DEAB COc1ccccc1CNC(=O)c1nccc(C(F)(F)F)n1 1888860267 JPEDUSJOGSNUAF-UHFFFAOYSA-N 311.263 2.434 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)NCc1n[nH]c(=O)c2ccccc12 5313270 YKTAYPDGHCSJJA-LBPRGKRZSA-N 323.352 2.007 0 40 DEAB O=C1Cc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2N1 10063805 IEAGISLJJSEKFY-UHFFFAOYSA-N 324.308 2.260 0 40 DEAB O=S(=O)(NCCCn1cccn1)c1cccc(Cl)c1F 32433444 WESJUMOJUOJNCU-UHFFFAOYSA-N 317.773 2.044 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1 102066341 PDGZTZWXZMAORN-DDHJSBNISA-N 313.353 2.399 0 40 DEAB O=c1oc(-c2cccs2)nn1C[C@H](O)c1ccc(F)cc1 32754994 DUBODVMREFBEQN-NSHDSACASA-N 306.318 2.438 0 40 DEAB CC(C)(NC(=O)NCc1cccc(Br)c1)C(=O)O 22176242 XEMBSINYRNZZLY-UHFFFAOYSA-N 315.167 2.112 0 40 DEAB NC(=O)Nc1cccc(NC(=O)CSCc2cccnc2)c1 53236886 GWTIKDNMJUGKFN-UHFFFAOYSA-N 316.386 2.444 0 40 DEAB O=C(CN1C(=O)CSc2ccccc21)NCc1ccccc1 218708 DOUZCAYVBLSATI-UHFFFAOYSA-N 312.394 2.442 0 40 DEAB CNC1=NC(=O)C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)S1 550090 LCBOWEGJRJOUBY-SECBINFHSA-N 315.757 2.025 0 40 DEAB Oc1ccccc1N1CCN(C(=S)NC2CCCC2)CC1 1459885 YNMGMVLAKOQHPU-UHFFFAOYSA-N 305.447 2.331 0 40 DEAB CCOC(=O)[C@](NC(C)=O)(Nc1ccccc1C)C(F)(F)F 2274779 KLEMMJZSETXMDX-ZDUSSCGKSA-N 318.295 2.365 0 40 DEAB CCOC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 2620242 KERBXAUNRILFGN-LLVKDONJSA-N 317.432 2.020 0 40 DEAB O=C(COC(=O)c1ccccn1)Nc1ccc(OC(F)F)cc1 3507494 YLNZWDPVRYNTPM-UHFFFAOYSA-N 322.267 2.479 0 40 DEAB Cc1ccccc1OCC(=O)Nc1cnn(CCCC(=O)O)c1 4769943 WSVLBVSYJSPHDH-UHFFFAOYSA-N 317.345 2.074 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@H](c2ccc(Cl)cc2Cl)N1 5728841 LGYVQDIUZSVOPB-MNOVXSKESA-N 312.156 2.405 0 40 DEAB CCCOc1cccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC)c1 5978863 GLUMGULRRZTZID-AWEZNQCLSA-N 320.414 2.441 0 40 DEAB CC(=O)NCCNC(=O)c1c(-c2ccccc2Cl)noc1C 6948524 QPRIGUZEZURFOZ-UHFFFAOYSA-N 321.764 2.169 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cnn(-c3ccccc3)c2)c(=O)[nH]1 7118699 ZRWPCLUISWSLAW-UHFFFAOYSA-N 322.368 2.107 0 40 DEAB CNC(=O)c1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 9458607 IWIIOKKIJXEZPW-UHFFFAOYSA-N 314.341 2.316 0 40 DEAB O=C(NCCCNc1cc(=O)oc2ccccc12)c1cccnc1 9576742 ZQMSQRQZSQANGZ-UHFFFAOYSA-N 323.352 2.420 0 40 DEAB Cc1ccc2ncc(C(=O)N3CCc4ccccc43)c(=O)n2c1 9830092 NDDTXLFXZLTLDY-UHFFFAOYSA-N 305.337 2.206 0 40 DEAB CC(=O)N1c2ccccc2CO[C@@]12C(=O)N(C)c1ccccc12 10157761 AXIUANWBJOHZHY-SFHVURJKSA-N 308.337 2.399 0 40 DEAB CCCc1nc2[nH]c(-c3ccc(OC)c(OC)c3)cc(=O)n2n1 10338637 JRXVEQWIOKEVHX-UHFFFAOYSA-N 314.345 2.054 0 40 DEAB Cc1nonc1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12116093 BIKONTBZVHNPES-CQSZACIVSA-N 311.345 2.161 0 40 DEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)C(C)C)C1 19085432 XUFLCTMCWLGXIO-HOCLYGCPSA-N 303.406 2.153 0 40 DEAB O=C1NC[C@]2(CCCN(Cc3cccnc3)C2)Oc2ccccc21 19374807 QXLMFVUVGUXOPU-IBGZPJMESA-N 323.396 2.239 0 40 DEAB CCC(C)(C)n1nnnc1CN1CCN(C2CCCCC2)CC1 19499754 KHMMBCPSRJPNLA-UHFFFAOYSA-N 320.485 2.269 0 40 DEAB O=C(O)[C@@]12CC=CC[C@@H]1[C@@H](O)C[C@@]2(Cc1ccccc1)C(=O)O 19909031 KIORNFNPEAGWAZ-IDCJVQTKSA-N 316.353 2.102 0 40 DEAB CCN1CCN(C[C@H](O)COc2ccc(C(C)C)cc2)CC1 22590099 GCCMKYCLVSYMRI-KRWDZBQOSA-N 306.450 2.187 0 40 DEAB O=C(CCc1ccsc1)N1CCN(C[C@H]2CCCO2)CC1 23624081 FCXDIWOVRPITLA-OAHLLOKOSA-N 308.447 2.004 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)c1ccncc1)c1ccc(F)cc1 23776090 KOWJYQPQGUFFTE-HNNXBMFYSA-N 310.332 2.474 0 40 DEAB CC1(C)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 24245260 KTWCFCBTNIHYJA-UHFFFAOYSA-N 302.252 2.416 0 40 DEAB Cc1cc(C)c(CNC(=O)CCc2cccc(F)c2)c(=O)[nH]1 24618310 KAKYHQFTIIYWFS-UHFFFAOYSA-N 302.349 2.380 0 40 DEAB COc1ncccc1C(=O)NC[C@@H](c1ccsc1)N(C)C 25332373 PGESAEGFZXHTJQ-ZDUSSCGKSA-N 305.403 2.184 0 40 DEAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)OCCCO3)no1 31658855 BYWYZENGMZBHAY-UHFFFAOYSA-N 302.330 2.417 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 32744864 WUZUCOWLDUAZKC-JMSVASOKSA-N 314.385 2.366 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc2ccsc2c1=O 32843091 AEYPODZTNDKMHS-WDEREUQCSA-N 305.403 2.153 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2ccccc2)C1 38536663 HFBDLIGBWDZLIQ-CABCVRRESA-N 305.422 2.285 0 40 DEAB COC(=O)c1cc(Br)ccc1CN1CCOCC1 39951716 MYYZMWUKKMRQNL-UHFFFAOYSA-N 314.179 2.068 0 40 DEAB Nc1ccc(-c2cnc3c(Br)cnn3c2N)cc1 40835955 LXQULVNWIZYFAO-UHFFFAOYSA-N 304.151 2.323 0 40 DEAB NC(=O)c1cccc2c1CCCN2Cc1nc(-c2ccco2)no1 41624117 QBCXJYUGRUUUTM-UHFFFAOYSA-N 324.340 2.381 0 40 DEAB CCOc1ccc(-c2noc(CN3CCC[C@H](O)C3)n2)cc1 44871579 BPDAURTZOAXUBF-ZDUSSCGKSA-N 303.362 2.092 0 40 DEAB COc1ccccc1CNC(=O)c1cn(Cc2ccccc2)nn1 44895616 AUILTAQKKAYYHR-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB O=C(Nc1ccc(CCN2CCOCC2)cc1)c1ccco1 56039336 AITFBQVYISMFMQ-UHFFFAOYSA-N 300.358 2.407 0 40 DEAB CCCNC(=O)CNC(=O)/C=C/c1cc(Cl)ccc1OC 56195194 SRJCJSDYSGLRKE-QPJJXVBHSA-N 310.781 2.004 0 40 DEAB Cc1occc1CN(C)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 56252287 ONKRGDCSBGRTLQ-DOMZBBRYSA-N 308.403 2.000 0 40 DEAB c1cnc(N2CCN(Cc3cc(-c4ccco4)on3)CC2)nc1 57425779 ISLIGAFVARZPBX-UHFFFAOYSA-N 311.345 2.047 0 40 DEAB Cc1cc(NC(=O)CNC(C)(C)c2ccc3c(c2)OCO3)on1 58281789 HRZHRSVHTMLURZ-UHFFFAOYSA-N 317.345 2.175 0 40 DEAB O[C@H]1Cc2ccccc2[C@H]1NCc1c[nH]nc1-c1cccnc1 60062147 GJOHYRNEMYTLJM-FUHWJXTLSA-N 306.369 2.220 0 40 DEAB C[C@H]1CCCC[C@@H]1OCCN1CCN(Cc2nccn2C)CC1 65623873 ZWTRVTTVPPGWDK-IRXDYDNUSA-N 320.481 2.133 0 40 DEAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2cccnc2)cc1C 67283993 STQIEYCILXLVEO-UHFFFAOYSA-N 322.372 2.490 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cn2ccsc2n1 69538692 KKZKFZSBAJKTLT-KGLIPLIRSA-N 318.446 2.024 0 40 DEAB C[C@H]1CCCC[C@H]1OCCN(C)CC1CCN(CCO)CC1 69927461 WOPYBFLICZHGQA-FUHWJXTLSA-N 312.498 2.218 0 40 DEAB CC[C@@H]1CN(CCc2ccc(OC)cc2)CCN1CCOC 69950667 VRWFJEKIIQTJPW-QGZVFWFLSA-N 306.450 2.280 0 40 DEAB CC(C)(C)n1nnnc1SCCOC[C@@H]1CCCCO1 71921916 VQWNXNNOTSWRGV-NSHDSACASA-N 300.428 2.106 0 40 DEAB COC(=O)CNc1cccc(C(=O)N2CCc3ccccc32)c1 72051842 YRRUUVJCEXMBPV-UHFFFAOYSA-N 310.353 2.474 0 40 DEAB c1ccc(-c2ncc(CNC[C@@H]3CCc4nncn4C3)cn2)cc1 72252920 YFVLKALYNHNWTF-AWEZNQCLSA-N 320.400 2.087 0 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302.399 2.443 0 40 DEAB O=C(NCc1ccccc1OCCO)c1ccc2[nH]ccc2c1 89813977 FFIDOLYOTKKLMM-UHFFFAOYSA-N 310.353 2.469 0 40 DEAB CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCS[C@@H](C)[C@@H]1C 89920039 CBRKOVPKVWIKBA-MKBNYLNASA-N 318.442 2.317 0 40 DEAB CC(=O)N1CC[C@@H](NCc2cccc3c2OCCCO3)[C@@H](C)C1 89937603 IRMACDRYYWIIHA-XJKSGUPXSA-N 318.417 2.194 0 40 DEAB CCC(=O)c1cccc(S(=O)(=O)NCc2ncc(C)o2)c1 89941812 MUUINMCVWVHZEH-UHFFFAOYSA-N 308.359 2.054 0 40 DEAB CCO[C@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2COC[C@@H]21 306142670 XGAPCIOQCUNIHI-IMJJTQAJSA-N 300.358 2.044 0 40 DEAB CC(C)CNC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 72849867 YGZXGSRLBDDYTM-UHFFFAOYSA-N 317.433 2.353 0 40 DEAB N[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCCN1 71186603 ZURJXUMOPDWDAQ-RTBURBONSA-N 322.408 2.421 0 40 DEAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1cccc(Cl)c1 72227582 ATMOSSONZDADHU-LSDHHAIUSA-N 316.744 2.484 0 40 DEAB O=C(NC1CC1)c1cnn2c(-c3ccc4c(c3)OCO4)ccnc12 35835988 KUUIWDOZGUFSAH-UHFFFAOYSA-N 322.324 2.017 0 40 DEAB CCc1nsc(N2CCCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 75391281 HNIBCAXONNOYST-CYBMUJFWSA-N 320.462 2.496 0 40 DEAB Cc1nn(CCNC(=O)c2cc(C3CC3)[nH]n2)c(C)c1Cl 36613978 HHCAXJUKOKZZQI-UHFFFAOYSA-N 307.785 2.184 0 40 DEAB CCCC[C@@H](CC)CNC(=O)C(=O)NCCCOC(C)C 32109771 NUPYZGGCXRRCCM-CQSZACIVSA-N 300.443 2.250 0 40 DEAB COC(=O)[C@H]1CC[C@H](c2nc(-c3ccc(F)c(F)c3)no2)O1 189153700 YQJHINJWZSEHQT-GHMZBOCLSA-N 310.256 2.408 0 40 DEAB COc1ccc([C@H](C)NC(=O)NC[C@H]2CC[C@H](O)C2)cc1F 189838761 TZFOWIJYPVWQNP-GVXVVHGQSA-N 310.369 2.356 0 40 DEAB CN(Cc1cccs1)C(=O)c1cc(NC(=O)C2CC2)n(C)n1 46089111 QXWSCGVYWRZGEY-UHFFFAOYSA-N 318.402 2.102 0 40 DEAB Cn1cc([C@](C)(O)CNC(=O)/C=C/c2cccc(Cl)c2)cn1 80892602 SKZADSVQLHXQHQ-FYCOFBDGSA-N 319.792 2.111 0 40 DEAB CCC[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CCc2nnnn2CC1 571336441 IDOKUXQLJJSCDP-QLFBSQMISA-N 319.453 2.348 0 40 DEAB CCc1ccc2oc(=O)cc(CN3CCN(CC)CC3)c2c1 19371320 MXRUVZVEEAJRIH-UHFFFAOYSA-N 300.402 2.493 0 40 DEAB biogenic COC(=O)c1c(SCCSC(C)(C)C)nc(=O)[nH]c1C 225777067 PNHTWPXJJBMRTM-UHFFFAOYSA-N 316.448 2.489 0 40 DEAB COc1cc(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)ccn1 329331211 ZKPXQDXSDUYKGX-LJQANCHMSA-N 322.364 2.233 0 40 DEAB Cc1onc(CN2CCO[C@@H](c3ccccc3)C2)c1C(=O)O 575874563 CWVYCMZUGKEBSW-CQSZACIVSA-N 302.330 2.255 0 40 DEAB CCCOc1cc(CNC(=O)c2ccn3ccnc3c2)ccn1 95450643 BNHPBDNKYTTZEU-UHFFFAOYSA-N 310.357 2.448 0 40 DEAB Cc1noc([C@H]2COC[C@H]3CN(Cc4scnc4C)C[C@H]32)n1 97953530 VUEQVVOASNQDMX-UPJWGTAASA-N 320.418 2.005 0 40 DEAB COC[C@H]1CN(C(=O)C2=CCCC2)Cc2cnn(CC3CC3)c21 96198386 HUMKUNJJRWJXES-MRXNPFEDSA-N 315.417 2.476 0 40 DEAB Cc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@@H]3C2)cc1 96042696 OPYWWESFLLSLCI-GVDBMIGSSA-N 302.418 2.063 0 40 DEAB CCO[C@@H]1CCN(C(=O)Cc2ccccc2F)[C@H]2CCO[C@@H]21 96219621 HOVKADQCPQIFNZ-UXLLHSPISA-N 307.365 2.163 0 40 DEAB Cc1nnc2c(N(C)CCOc3cccc(F)c3)nccn12 96444357 MNTXMLGKQNBXBX-UHFFFAOYSA-N 301.325 2.087 0 40 DEAB Cc1cc(-c2nn[nH]n2)cc(C)c1CN1CCC[C@H]1C(C)(C)O 1591846975 OBHIBTYFEHUPSA-HNNXBMFYSA-N 315.421 2.219 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2CCN2C(=O)CCC2=O)c1 96441494 SIQLXFSKJGPPGM-INIZCTEOSA-N 315.417 2.039 0 40 DEAB Cn1cc(CN2C[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)cn1 96110648 VKKQHANJDGATJF-CALCHBBNSA-N 314.408 2.123 0 40 DEAB COCc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)C[C@@H](C)N2 95471706 JLYGKSOIITZKIE-ZWNOBZJWSA-N 318.377 2.235 0 40 DEAB O[C@]1(CNC2CCN(c3ccccn3)CC2)CCc2ccccc21 90795919 KCZSSNKGKAVXOY-FQEVSTJZSA-N 323.440 2.474 0 40 DEAB Cc1ccc(CC(=O)N2CC[C@@H]3[C@@H](CCCC(=O)N3C)C2)s1 257278975 OELMMLQAYUADRK-DZGCQCFKSA-N 320.458 2.458 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H](c3ccn[nH]3)C2)c2c(C)noc2n1 257342079 ZMZRAIYVJICGCJ-LLVKDONJSA-N 311.345 2.192 0 40 DEAB COCC(=O)N1CCC2(CC1)C[C@H](Cc1ccccc1F)CO2 257295486 QYMDEOLZNVLWMY-AWEZNQCLSA-N 321.392 2.412 0 40 DEAB Cc1ccnc([C@@H]2CN(Cc3nc4ccccc4n3C)CCO2)n1 257204846 AWNOBSCJSTYNAW-INIZCTEOSA-N 323.400 2.245 0 40 DEAB CN(C)c1ccc([C@@H](O)CNC(=O)c2cc(C3CC3)on2)cc1 90611826 LCMBGXXVWFXCFF-HNNXBMFYSA-N 315.373 2.081 0 40 DEAB O=C(NCCn1ccnc1-c1ncccn1)Nc1cccs1 96103926 OOOHAUWARLLKPU-UHFFFAOYSA-N 314.374 2.223 0 40 DEAB Cc1ncc2n1C[C@@H](C(=O)NCC1(O)CCC(C)(C)CC1)CC2 585142546 YCEORNANKMJVEJ-AWEZNQCLSA-N 319.449 2.201 0 40 DEAB CC1CC(C(=O)N2CC[C@@]3(CN(C)C[C@H]3COCC3CC3)C2)C1 585103404 VPRNLTFASAVLCB-HJRFIPHPSA-N 320.477 2.239 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCN(Cc2c(C)n[nH]c2C)C1 585275484 CQKQVESLXCOAHP-SFHVURJKSA-N 315.417 2.351 0 40 DEAB O=C(NC1(c2c(F)cccc2F)CCCC1)[C@@H]1COCCO1 585142087 OMLRMGHAZXHCKF-ZDUSSCGKSA-N 311.328 2.266 0 40 DEAB OC[C@@H]1[C@H](O)[C@@H](c2ccc(Cl)cc2)CN1Cc1nccs1 585292397 IURISLCZUYCICG-UMVBOHGHSA-N 324.833 2.118 0 40 DEAB Cc1cccnc1OCC1CCN(Cc2cnn(C)c2)CC1 1776009087 UYJRAYKANAJURI-UHFFFAOYSA-N 300.406 2.415 0 40 DEAB Cc1cc(CN(C)C(=O)N[C@H](C)Cc2ccc(O)cc2)no1 56770465 KBOMRLMWHCVUBU-LLVKDONJSA-N 303.362 2.461 0 40 DEAB CNC(=O)C1CCC(NC(=O)c2ccc(C)cc2OC)CC1 547721902 SIEHHDDPLTYHCM-UHFFFAOYSA-N 304.390 2.038 0 40 DEAB O=S(=O)(NC[C@@H](O)c1ccc(-c2ccco2)s1)C1CC1 1775967783 DBJWOOHQHVAKJT-SNVBAGLBSA-N 313.400 2.123 0 40 DEAB Cc1cccnc1NC(=O)CCN1C(=O)c2ccccc2C1=O 5588656 LYUWBXYNHZIYNP-UHFFFAOYSA-N 309.325 2.015 0 40 DEAB C[C@H]1CN(C(=O)CCNC(=O)c2ccc(Cl)cc2)C[C@H](C)O1 13009801 CGXYKQSYHFMFAB-RYUDHWBXSA-N 324.808 2.096 0 40 DEAB O=C(NCCc1ccccc1)c1c(O)c2ccccc2[nH]c1=O 13126925 CRJBVUCXSLZFQS-UHFFFAOYSA-N 308.337 2.206 0 40 DEAB COc1ccc([C@H]2[C@@H](N)[C@@H](c3ccccc3)Nc3ncnn32)cc1 169619927 QAKWCDKFQTULHZ-BBWFWOEESA-N 321.384 2.370 0 40 DEAB CCC[C@@H](NC(N)=O)C(=O)N[C@H]1CC(C)(C)c2ccccc21 158256324 XBGCCRGJWDYJBH-KGLIPLIRSA-N 303.406 2.362 0 40 DEAB COc1cc(OC)cc(C(=O)NCCC2CCN(C)CC2)c1 156345153 DZSSWMCPMKWHBI-UHFFFAOYSA-N 306.406 2.166 0 40 DEAB CCOC(=O)CN1Cc2c(ccc(Cl)c2Cl)N=C1N 20167663 PLLYNUUCBINGLY-UHFFFAOYSA-N 302.161 2.318 0 40 DEAB in-vitro Cc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(O)nc2)cc1 13258076 ZFAVKWUVHBLMKO-ZDUSSCGKSA-N 300.314 2.041 0 40 DEAB CSc1nc(C)cc(N2CCC[C@H](NC(=O)C3CC3)C2)n1 1889073540 WPMNSPSPLVVECG-LBPRGKRZSA-N 306.435 2.002 0 40 DEAB CC(=O)NCCc1ccc(C(=O)CSc2ncccn2)s1 16747436 WKHOGCRBGHSHQB-UHFFFAOYSA-N 321.427 2.192 0 40 DEAB Cc1nc(NC(=O)CCn2cncn2)sc1-c1ccccn1 23502924 RDCQMUWXORXVDJ-UHFFFAOYSA-N 314.374 2.134 0 40 DEAB COc1ccc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)[nH]c2c1 24492544 RGXQBUTVKGZWFF-UHFFFAOYSA-N 323.352 2.457 0 40 DEAB CSCC[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)O 5180339 CLQDHXXPSPZFDJ-NSHDSACASA-N 316.810 2.346 0 40 DEAB O=S1(=O)C=C[C@@H]2ON=C(c3ccc(C(F)(F)F)cc3)[C@@H]21 1121312 VNWBXUZFBMPLCO-GXSJLCMTSA-N 303.261 2.119 0 40 DEAB Cc1cccc(S(=O)(=O)NCc2cn3ccsc3n2)c1 4956627 KEWJIFTUPUUHTM-UHFFFAOYSA-N 307.400 2.183 0 40 DEAB Cn1nccc1C(=O)Nc1nc2cc3c(cc2s1)OCO3 12444239 YGCDWQQUTNJLBR-UHFFFAOYSA-N 302.315 2.011 0 40 DEAB C[C@H]1CCc2c(C(=O)N[C@@H]3CCCCNC3=O)csc2C1 40092221 VAYFXELHBRMLLK-GXFFZTMASA-N 306.431 2.271 0 40 DEAB O=C1CCc2cc(C(=O)COC(=O)C3CCC3)c(F)cc2N1 50936731 WIXIAQUAXHIFHB-UHFFFAOYSA-N 305.305 2.236 0 40 DEAB COc1ccc(C)cc1NC(=O)CNC(=O)c1ccc(C)nc1 32754017 GSWODLRDMBQJMA-UHFFFAOYSA-N 313.357 2.076 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCSCc2ccccc2)CC1=O 32816314 DPGSLYLGFXVADG-HNNXBMFYSA-N 320.458 2.293 0 40 DEAB COc1ccc2cc(C(=O)O[C@@H]3C[C@H](C)OC3=O)c(C)nc2c1 32850629 ZCHRVZPXOGCVOJ-BJOHPYRUSA-N 315.325 2.413 0 40 DEAB O=C(CCSc1nc2ncccn2n1)Nc1cccc(F)c1 32871309 OXSQZQKABRZADF-UHFFFAOYSA-N 317.349 2.384 0 40 DEAB Cc1cc(C)cc(C2(C(=O)NCCNc3cnccn3)CC2)c1 52579031 RHTMXCTVIPDFCT-UHFFFAOYSA-N 310.401 2.353 0 40 DEAB O=C(CSc1nnnn1C1CC1)N1CCC[C@H]2CCCC[C@@H]21 21732508 ZUTZMXSSJMDPLS-YPMHNXCESA-N 321.450 2.281 0 40 DEAB O=C([C@H]1COCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 32921329 KOETWCJPOGLOPG-QGZVFWFLSA-N 312.369 2.199 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)Nc3c[nH]ccc3=O)cc2)n1 52964596 SZWFEGZSJDLECQ-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB CCOC(=O)c1c(NC(=O)c2cnccn2)sc2c1CCC2 31814 WTHRIHYCHSIZLP-UHFFFAOYSA-N 317.370 2.456 0 40 DEAB CC(C)n1cc2c(C(F)(F)F)cc(=O)n(CCC(=O)O)c2n1 12397937 YAHUOXMBYNGVET-UHFFFAOYSA-N 317.267 2.272 0 40 DEAB COc1ncccc1CNC1CCN(CC(F)(F)F)CC1 37650169 OHRLLDAJFJDZAP-UHFFFAOYSA-N 303.328 2.207 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@@H](C)O2 1362159 KFZWKWWNYJMDMP-CYBMUJFWSA-N 302.374 2.121 0 40 DEAB O=C(NCCC(=O)N1CCCc2ccccc21)c1ccccc1O 53857260 VICZULKNGRTRAR-UHFFFAOYSA-N 324.380 2.492 0 40 DEAB O=c1oc(-c2cccc(I)c2)ns1 1849967 YWHKQBVLTQGZPV-UHFFFAOYSA-N 305.096 2.368 0 40 DEAB COc1cc(CNCc2ccnc(N(C)C)c2)cc2c1OCO2 42227204 DXAKGANJMQKOFK-UHFFFAOYSA-N 315.373 2.175 0 40 DEAB CCOCCCNC(=O)C(=O)Nc1cccc2ccccc12 6844492 VFZSBGIMFRRHNR-UHFFFAOYSA-N 300.358 2.321 0 40 DEAB COc1cccc2c(C)cc(N(C[C@H](C)O)C[C@H](C)O)nc12 23634419 OFLYDQLEEMCXRF-STQMWFEESA-N 304.390 2.120 0 40 DEAB O=C(COc1ccccc1)NCc1nc(-c2cccs2)no1 24576983 MRCNWSYDKSYIOW-UHFFFAOYSA-N 315.354 2.493 0 40 DEAB C[C@H](CNC(=O)Nc1nncs1)N1CCc2ccccc21 43127587 RVOWXLAPNJZZNL-SNVBAGLBSA-N 303.391 2.111 0 40 DEAB O=C(Nc1cccc(N2CCOCC2)c1)[C@H]1Cc2ccccc2O1 84581749 KWJOBGBVFUMUBD-GOSISDBHSA-N 324.380 2.465 0 40 DEAB C[C@H](Oc1ccc(Cl)cc1C(N)=O)C(=O)NC1CCCC1 8328591 COYGQMQYHYAXBT-VIFPVBQESA-N 310.781 2.265 0 40 DEAB CCCc1nc(C)c(C(=O)NCCNC(=O)c2ccoc2)s1 55397243 ALKJJIZDJQESDS-UHFFFAOYSA-N 321.402 2.157 0 40 DEAB CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1csc(COC)n1 106868372 KGOLBBDUTMVUGF-ZIAGYGMSSA-N 323.462 2.378 0 40 DEAB O=S(=O)(NC1CC1)c1ccc(CNc2cccc(F)n2)cc1 57139085 JWPMGLVJHVMLGF-UHFFFAOYSA-N 321.377 2.274 0 40 DEAB O=C(CSc1nnc2n1CCCCC2)c1ccc(O)cc1O 57759664 JMMHFEALMCOJHZ-UHFFFAOYSA-N 319.386 2.391 0 40 DEAB COCCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1cccc(C)c1C 57982493 JTDDWZVOWSATFB-GDBMZVCRSA-N 305.374 2.314 0 40 DEAB O=C(c1ccn(COc2ccccc2Cl)n1)n1ccnc1 28234514 GZUWOPGNIVSWMG-UHFFFAOYSA-N 302.721 2.458 0 40 DEAB O=C(Nc1nncs1)N(Cc1ccncc1)C[C@@H]1CCCO1 58082655 MAXSAFSPVFIXSJ-LBPRGKRZSA-N 319.390 2.146 0 40 DEAB Cc1cc(C(=O)CNC(=O)NCCc2cccs2)c(C)[nH]1 58175653 MFRNAFNHOVQMDP-UHFFFAOYSA-N 305.403 2.418 0 40 DEAB CN1CCCN(CCCNC(=O)Nc2cccc(Cl)c2)CC1 58202282 AWQFTDWXFATWGQ-UHFFFAOYSA-N 324.856 2.489 0 40 DEAB Cc1noc(C(C)C)c1C(=O)NCc1ccnc(N(C)C)c1 44915840 DHNVXYCRLGZNOC-UHFFFAOYSA-N 302.378 2.497 0 40 DEAB 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308.359 2.155 0 40 DEAB O=c1c2ccccc2cnn1CN1CCO[C@H](c2ccccc2)C1 29893426 KFHXOBRFIWUCBT-SFHVURJKSA-N 321.380 2.428 0 40 DEAB O=C(NCCN1CCCCCC1)c1cc(-c2ccco2)[nH]n1 65411565 ARQLZUQYWXKZOA-UHFFFAOYSA-N 302.378 2.276 0 40 DEAB CC(C)OCCCNC(=O)[C@]1(N(C)C)CCc2ccccc21 65591398 XDWGRFHHTQCWFZ-SFHVURJKSA-N 304.434 2.321 0 40 DEAB CN1CCO[C@H](CNCc2ccc(Br)cc2F)C1 65624394 URTFUVVJPODRJL-GFCCVEGCSA-N 317.202 2.008 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)c2n[nH]c3ccccc23)cc1 4823292 NABNSIUKFVJBQH-UHFFFAOYSA-N 323.352 2.345 0 40 DEAB CCOC(=O)c1c(C)oc2nc(CN3CCCCC3)nc(N)c12 7357983 DXDUUOXXUMZAIG-UHFFFAOYSA-N 318.377 2.276 0 40 DEAB Cc1cc(C[C@H](C)N[C@@H](C)CC(=O)N2CCCCCC2)n[nH]1 90528141 ZRWOQHGIVKWCFI-KBPBESRZSA-N 306.454 2.420 0 40 DEAB O=C([C@H]1Cc2ccccc2O1)N1CCC(Nc2cccnc2)CC1 68338671 MLLWPTSKOCAVKC-GOSISDBHSA-N 323.396 2.488 0 40 DEAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1N[C@@H]1CCCN(c2ccccn2)C1 96493521 CAZSVLHAQZIACV-SRABZTEZSA-N 301.434 2.454 0 40 DEAB CN(C)c1cc(CNC(=O)[C@@H]2CCCOC2)c2ccccc2n1 96441238 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CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)NC(=S)N1 574637 DZLRLWVHIUXYNA-AWEZNQCLSA-N 320.414 2.384 0 40 DEAB O=C(CN1CCC(C(=O)c2cc(F)ccc2F)CC1)NC1CC1 47797163 NRAQXRWLHPPKQE-UHFFFAOYSA-N 322.355 2.138 0 40 DEAB C[C@](O)(CNS(=O)(=O)Cc1ccccc1)c1cccs1 77183464 LRTXYYDWRQYBLG-AWEZNQCLSA-N 311.428 2.075 0 40 DEAB CCOc1ccccc1C(=O)NCC1CCN(CCOC)CC1 23014110 UYMAKFDITGDVLB-UHFFFAOYSA-N 320.433 2.174 0 40 DEAB CN(CCc1ccccn1)c1ccc2nnc(C(F)(F)F)n2n1 12563533 UOIUWLWOBXAFPX-UHFFFAOYSA-N 322.294 2.217 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(C=O)cc1 3386105 YPAZQSLJIXJETN-IUODEOHRSA-N 303.358 2.351 0 40 DEAB COCc1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 42792522 AVZKGWOELJNXGV-UHFFFAOYSA-N 321.354 2.332 0 40 DEAB CC[C@@H](C)NC(=O)COC(=O)c1ccc2nc(C)c(C)nc2c1 6848137 HOEGVBRBMYDICP-SNVBAGLBSA-N 315.373 2.318 0 40 DEAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7399816 IWDGDLIVJUILCO-CQSZACIVSA-N 312.344 2.495 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCO2 8222074 RELFCIUXRFGQHO-ZYHUDNBSSA-N 304.346 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322.405 2.081 0 40 DEAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)Nc1ccccc1F 7046729 UHYWEDHIGCQSRF-UHFFFAOYSA-N 318.348 2.474 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(CC1(O)CCC(C)CC1)CC2 96424720 OCVZJWYMCWGSGR-JCCCHCCOSA-N 311.466 2.180 0 40 DEAB c1ccc(-c2cnc(CN3CCN(c4ncccn4)CC3)o2)cc1 7445723 XDNCJFCYRVUXBP-UHFFFAOYSA-N 321.384 2.454 0 40 DEAB O=C1c2ccccc2S(=O)(=O)NN1Cc1ccc(Cl)cc1 7778981 LTFYFEUWOCGZGE-UHFFFAOYSA-N 322.773 2.189 0 40 DEAB O=C(N[C@H]1CCS(=O)(=O)C1)c1sccc1-c1ccccc1 71807260 FTZXFDUHYQOUCK-LBPRGKRZSA-N 321.423 2.332 0 40 DEAB C[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)n1cnc2ccccc21 71866482 NEEWITSINJKBMH-GJZGRUSLSA-N 323.400 2.485 0 40 DEAB CSc1cc2c(cc1NC(=O)N1CCOCC1)OCCO2 71853999 JFXARYKXNHBEKK-UHFFFAOYSA-N 310.375 2.044 0 40 DEAB Cc1ccc([C@H](O)CN2CCCC[C@@H]2Cn2cncn2)cc1C 71876422 KPEOOBZBZPVHPN-QZTJIDSGSA-N 314.433 2.483 0 40 DEAB CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1c1cccnc1 71885772 YPKDONFLSZKUDZ-ZWKOTPCHSA-N 324.428 2.171 0 40 DEAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C)on2)cc1F 8176812 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2.377 0 40 DEAB O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@@H]2N1Cc1ccccn1 306144903 ZRXGLSYBIKUZQH-MSOLQXFVSA-N 322.412 2.174 0 40 DEAB Brc1ccc(-n2nnnc2/C=C/N2CCCC2)cc1 55116698 QAMYROOBWWETBI-JXMROGBWSA-N 320.194 2.491 0 40 DEAB CC(=O)N[C@]1(c2nc(C)cs2)CCN(Cc2cccn2C)C1 548345813 PZCWYMMIEHALOQ-MRXNPFEDSA-N 318.446 2.027 0 40 DEAB NC(=O)[C@@H]1CCN(c2cc(SCc3ccccc3)ncn2)C1 521396770 BJCGCMBLTLRYDD-CYBMUJFWSA-N 314.414 2.081 0 40 DEAB CC1CCN(C(=O)CN2C[C@H](C)C(=O)Nc3ccccc32)CC1 31903331 AVEYSXNPDWVKBI-AWEZNQCLSA-N 315.417 2.340 0 40 DEAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CO)n2)s1 72375450 DOOALFKKMLOWIX-GFCCVEGCSA-N 318.402 2.246 0 40 DEAB CCOc1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1 74987177 XKRIVIYTASMZNV-UHFFFAOYSA-N 310.375 2.169 0 40 DEAB CNC(=O)c1cccc(CNC(=O)CO[C@H]2CCCC[C@H]2C)c1 79038917 RQSGDUKCOWOPPY-CJNGLKHVSA-N 318.417 2.258 0 40 DEAB CN(C)c1noc(COc2nc(-c3ccccc3Cl)no2)n1 184549512 GTARMCJTMIXWGW-UHFFFAOYSA-N 321.724 2.418 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H]1CCCC[C@H]1O 77939100 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COC(=O)CCN(Cc1cccc(Br)c1)C(C)=O 190162427 NFJUUVVXJBOJIE-UHFFFAOYSA-N 314.179 2.361 0 40 DEAB Cn1ncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1Cl 96182598 WYBRXYBHRVCXRD-UHFFFAOYSA-N 318.808 2.032 0 40 DEAB CCS(=O)(=O)[C@H](CO)C(=O)c1ccc(-c2ccccc2)cc1 96518795 ZKFQKJKCWHILCB-MRXNPFEDSA-N 318.394 2.332 0 40 DEAB O=C(CNc1ccc(O[C@H]2CCOC2)cc1)NCc1ccco1 96417389 BZKIJKUDXACTQW-INIZCTEOSA-N 316.357 2.176 0 40 DEAB CCn1cc(S(=O)(=O)N2C[C@@H](C)Oc3cc(C)ccc32)cn1 96450999 BETRXNOLGUPNNS-GFCCVEGCSA-N 321.402 2.188 0 40 DEAB Fc1ccc(/C=C/CN2CCN(C[C@H]3CCOC3)CC2)cc1 93817820 INTUOHAYBWDOOS-WZHGYECESA-N 304.409 2.493 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)NC[C@H](N)c2ccccc2)c1 95432060 YMUQIDDIBUAHAP-HNNXBMFYSA-N 308.378 2.112 0 40 DEAB O=C(NCc1ccco1)[C@@H]1C[C@]12CCN(C(=O)C1CCCC1)C2 96227200 SLRNZFBVDZNKRK-YJBOKZPZSA-N 316.401 2.325 0 40 DEAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)C1CCOCC1 96413361 LDHLDTWRZJOIGF-OAHLLOKOSA-N 311.809 2.176 0 40 DEAB CCOCCC(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1 96409284 DMDFDULKWMDLAP-CQSZACIVSA-N 306.406 2.207 0 40 DEAB CC(C)c1nnc2n1C[C@@H](N[C@H](C)c1nc(C3CC3)no1)CC2 97199479 WPRNDZHHNORUDJ-PWSUYJOCSA-N 316.409 2.328 0 40 DEAB Cc1cccc2nc(CN(C)[C@@H]3CCC[C@H]3S(C)(=O)=O)cn12 248098395 GYYGNCLXMYQWFC-HUUCEWRRSA-N 321.446 2.040 0 40 DEAB COCCOCCC(=O)NCC(C)(C)c1ccccc1OC 62928987 FMWRIFJPYAXIHI-UHFFFAOYSA-N 309.406 2.142 0 40 DEAB COc1ccc([C@@H](C)NC(=O)NCc2cc(C)nn2C)cc1F 252485628 HAPSWYPTAKVIRQ-LLVKDONJSA-N 320.368 2.437 0 40 DEAB O=C(CN1CCC[C@@H]1CCc1ccncc1)N1CCCCC1 257230272 GBNJQGNUUQAAKE-QGZVFWFLSA-N 301.434 2.491 0 40 DEAB O=C(NCCCc1nnc2n1CCCCC2)[C@H]1Cc2ccccc21 607907909 WUKVWESJQWLCOP-INIZCTEOSA-N 324.428 2.393 0 40 DEAB CCc1noc(CCC(=O)N2CCCC[C@H]2c2ccn[nH]2)n1 257329637 XKUUMWIHOHJCCM-LBPRGKRZSA-N 303.366 2.042 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1 69664863 UKPPWCQFUNBRBE-IRXDYDNUSA-N 302.418 2.323 0 40 DEAB CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2cncnc2)C1 585273946 GVTQDORGBOJKAI-KRWDZBQOSA-N 317.364 2.286 0 40 DEAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nnc(C2CC2)n1C 585113348 RGZCTOSGNQKCPP-UHFFFAOYSA-N 324.335 2.082 0 40 DEAB O=C(c1ccncc1)N1CC[C@H](Cc2cccc(F)c2)[C@@H](O)C1 585279551 ODLAYHJHBFGZFN-WBVHZDCISA-N 314.360 2.286 0 40 DEAB CN(CCC(=O)N(C)C)CCc1ccc(Br)cc1 69529175 OBISJKBJHKRZNJ-UHFFFAOYSA-N 313.239 2.402 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)on1 53401122 FYXCTAQZGLOHHC-AWEZNQCLSA-N 302.378 2.240 0 40 DEAB O=C(NCc1cc[nH]n1)c1ccn(-c2ccccc2Cl)n1 50578177 DJOOJVAOEAXDOE-UHFFFAOYSA-N 301.737 2.179 0 40 DEAB COC(=O)c1ccc(Cc2nc3ccsc3c(=O)[nH]2)cc1 54753913 NNTXDZFISUKGEL-UHFFFAOYSA-N 300.339 2.362 0 40 DEAB C[C@H](CCc1ccccc1)N1CCC[C@H](CNS(C)(=O)=O)C1 55902738 SDUDYHSDRJIMAP-NVXWUHKLSA-N 324.490 2.269 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@@H](C)CCc2ccco2)c(=O)[nH]1 75111103 FWILIXILMCHLDO-LBPRGKRZSA-N 317.389 2.405 0 40 DEAB COc1ccc2cc([C@@H](C)N3CCO[C@H](C(N)=O)C3)ccc2c1 76089559 MJVZPFGAVBXNGX-PXAZEXFGSA-N 314.385 2.096 0 40 DEAB O=C(C[C@H]1CCCO1)Nc1cccn(Cc2ccccc2)c1=O 88268172 KKRDWCKJUCRXEK-OAHLLOKOSA-N 312.369 2.404 0 40 DEAB CC(C)c1ncc(CN2CC[C@@H]3NC(=O)CCCC[C@H]32)cn1 19713236 MPYKFROKNKOBTN-LSDHHAIUSA-N 302.422 2.233 0 40 DEAB CCSc1nnc(SCC(=O)NC[C@@H]2CCCO2)s1 5567317 BWPSQXMAYWAYRA-QMMMGPOBSA-N 319.477 2.037 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3cccnc3)cc2n1 12154037 IGYRIJDECVLCND-AWEZNQCLSA-N 323.356 2.116 0 40 DEAB O=C(Nc1ccc(F)cc1)c1ccc(F)cc1-n1cnnn1 12409932 RYIQOITWOUYNLD-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB O=C1CCC[C@]2(CN(C(=O)C3CC3)C[C@H]2c2ccccc2F)N1 19368165 KKZGDSHKAAWXOC-KBXCAEBGSA-N 316.376 2.200 0 40 DEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](NC(=O)C(F)(F)F)C2 169804854 OSEBHMPQLPAGFK-XHNCKOQMSA-N 308.300 2.205 0 40 DEAB O=C(NCCc1cncnc1)NC12CC3CC(CC(C3)C1)C2 225590333 WHLVQLJBYVJBBR-UHFFFAOYSA-N 300.406 2.287 0 40 DEAB COCCCNC(=S)NC1CCN(Cc2ccccc2)CC1 6594592 JSVPZLKWNPCWJJ-UHFFFAOYSA-N 321.490 2.152 0 40 DEAB O=C([C@@H]1CN(Cc2cccc(F)c2)CCO1)N1CCCCC1 1888843840 HKVOBDDETCORDM-INIZCTEOSA-N 306.381 2.039 0 40 DEAB CC[C@]1(C)Cc2c(sc3nc(NN)n(C)c(=O)c23)CS1 1252998 VDCQXBVOETXZKI-CYBMUJFWSA-N 310.448 2.239 0 40 DEAB Cc1ccc(N(C(=O)C2CC2)[C@@H]2C=CS(=O)(=O)C2)cc1C 4165425 ABXHDAWEABUKAB-OAHLLOKOSA-N 305.399 2.357 0 40 DEAB CCOc1ccc(CC(=O)N[C@H](Cn2ccnn2)C(C)C)cc1 575617503 VYYUTQQYQFQWJA-MRXNPFEDSA-N 316.405 2.060 0 40 DEAB c1ccn2c(C3CN(c4nc5cnccc5s4)C3)nnc2c1 2298230472 JHXOUWXXIGRFSH-UHFFFAOYSA-N 308.370 2.338 0 40 DEAB O=S(=O)(NCc1ccccn1)c1cccc(Cl)c1F 32401476 NWCQWFFQIDQEHT-UHFFFAOYSA-N 300.742 2.353 0 40 DEAB COc1ncccc1C(=O)NC[C@@H](C)N1CCc2ccccc21 32817326 KNMHKWYWMDVEDI-CYBMUJFWSA-N 311.385 2.271 0 40 DEAB CCCc1n[nH]c(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 53683916 ZTIBJTVSKCRXMO-NWDGAFQWSA-N 324.450 2.019 0 40 DEAB O=C(O)C(=O)Nc1ccc(Br)cc1C(F)(F)F 37518989 VDDIGBZRXATBOE-UHFFFAOYSA-N 312.041 2.491 0 40 DEAB in-vitro CCOc1ccccc1CNC(=O)NCCCn1cccn1 54605576 KLKMWZOXODZXHX-UHFFFAOYSA-N 302.378 2.171 0 40 DEAB CC1=NO[C@@H](c2ccccc2Cl)[C@H]1C(=O)N1CCOCC1 4942473 PDRXQUVRGPKWEP-KBPBESRZSA-N 308.765 2.262 0 40 DEAB C[C@H](NC(=O)NCCc1ccccn1)c1ccc2c(c1)CC(=O)N2 42962944 WFRRIYOHIKXMEJ-LBPRGKRZSA-N 324.384 2.179 0 40 DEAB CCCCn1nnnc1CN1CCC[C@@H]1c1noc(C(C)C)n1 75581747 NOEBIOPWPZKKMW-GFCCVEGCSA-N 319.413 2.317 0 40 DEAB Cc1noc2ncnc(N3CCN(c4ccc(F)cc4)CC3)c12 1394308 VKKPQMRROMPTNB-UHFFFAOYSA-N 313.336 2.392 0 40 DEAB Cc1cc(OCC(N)=O)ccc1NC(=O)N1CCCCCC1 56710841 DUDZPRAMTHRBTO-UHFFFAOYSA-N 305.378 2.267 0 40 DEAB C[C@@H](NC(=O)N1CC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCCC2 43861235 OGGPDXUTZWCSPQ-MLGOLLRUSA-N 315.417 2.143 0 40 DEAB CCC(=O)Nc1cccc(C(=O)N[C@H]2CCN(C3CC3)C2)c1 57554476 ZNNPBNUZXQTJSS-AWEZNQCLSA-N 301.390 2.002 0 40 DEAB O=C(Cc1ccccc1)NCCOc1ccc(-c2ccco2)nn1 9853110 SCLNABVGAODYCQ-UHFFFAOYSA-N 323.352 2.474 0 40 DEAB C[C@@H](NC(=O)Cn1ccccc1=O)c1ccc(OC(F)F)cc1 44618714 VMUNGZNKARYBBM-LLVKDONJSA-N 322.311 2.327 0 40 DEAB COc1ccc(-c2noc(CN3C[C@H](C)OC[C@@H]3C)n2)cc1 27644016 OIZGXDGIYAPFLM-RYUDHWBXSA-N 303.362 2.354 0 40 DEAB CC(=O)N1CCC(NC(=O)c2sccc2-n2cccc2)CC1 44906880 XERTVSHHYBJNOD-UHFFFAOYSA-N 317.414 2.280 0 40 DEAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1F 2124150 NEUWINGIAXVWQM-UHFFFAOYSA-N 306.268 2.343 0 40 DEAB COC[C@H]1CN(C(=O)N[C@@H](C)Cc2ccc(C)cc2C)CCO1 76086143 XDHIYSROOAZEEZ-DOTOQJQBSA-N 320.433 2.291 0 40 DEAB Cc1ccc(O)c(S(=O)(=O)N2CCOc3ccccc32)c1 58368370 RKKDUEZHIJYXDS-UHFFFAOYSA-N 305.355 2.288 0 40 DEAB C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)c1ccncc1 58332336 WPSXNEMNWKEHBV-CYBMUJFWSA-N 313.357 2.185 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)c(O)c1 58433089 TZBAXHLDQHUWPK-ZDUSSCGKSA-N 302.374 2.288 0 40 DEAB COc1ccc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)cc1OC 100375525 AEFPCFUCFQBXDQ-CHWSQXEVSA-N 305.374 2.486 0 40 DEAB in-vitro CN(C)C(=O)c1nnc2sc(-c3cccc(Cl)c3)nn12 57354708 CNURTVPWFAQKPY-UHFFFAOYSA-N 307.766 2.208 0 40 DEAB CC(C)(C)OC(=O)N[C@](C)(C(=O)NCC(F)(F)F)C1CC1 95430389 SJDQTICFQNMBLJ-LBPRGKRZSA-N 310.316 2.358 0 40 DEAB CCOC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 2620241 KERBXAUNRILFGN-NSHDSACASA-N 317.432 2.020 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@H]1C[C@@H]1C)c1ccc(OC)c(OC)c1 24486498 ANIRVZCXDGTGRS-DRZSPHRISA-N 321.373 2.080 0 40 DEAB CC[C@@H](NC(=O)/C=C/c1ccc(C(N)=O)cc1)C1CCOCC1 95406209 UJQVOPSKVKTKEL-CDVVCGDMSA-N 316.401 2.120 0 40 DEAB COc1ccc(NC(=O)N[C@H]2CN(c3ccccc3)C2=O)cc1 96012641 VVKNIFBKEDVLMA-HNNXBMFYSA-N 311.341 2.232 0 40 DEAB C[C@@H]1CN(c2ccc(NC(=O)Nc3ccn(C)n3)cc2)CCO1 96013209 MXZGAUJYPFFHHG-GFCCVEGCSA-N 315.377 2.289 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1cc(F)cc2[nH]cnc12 95429926 WOHFHMNYEVXSJA-HOCLYGCPSA-N 311.316 2.090 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)c1cc2c(s1)CCC2 65415439 XIOMFTCKJGVTJU-UHFFFAOYSA-N 302.403 2.047 0 40 DEAB O=C(NCCN1CCOCC1)Nc1ccccc1C(F)(F)F 65593028 XJKYKIXLVPPCSH-UHFFFAOYSA-N 317.311 2.159 0 40 DEAB COc1ccc(-n2cnnn2)c(NC(=O)c2ccc(F)cc2)c1 6468145 HRRISQILGLMGJU-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB CC[C@@H](C)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 65612228 ONPWVIVCBPDQMB-CQSZACIVSA-N 302.418 2.254 0 40 DEAB Cc1ccc(Cl)cc1N1CC[C@H](CNC2=NCCCN2)C1 66246342 ZXAMXYAXMKHGDI-CYBMUJFWSA-N 306.841 2.414 0 40 DEAB COc1ccccc1/C(C)=C/C(=O)N[C@H](C)c1nncn1C 66615559 MWEZNWCNNMYIPT-LMMOQWNQSA-N 300.362 2.104 0 40 DEAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 118930906 FRPCYGNWEDESDG-YIHNILMISA-N 322.445 2.045 0 40 DEAB Cc1n[nH]cc1CNC(=O)[C@H]1COc2ccc(Cl)cc2C1 68238605 GXVQUSWHFKKBAF-LLVKDONJSA-N 305.765 2.239 0 40 DEAB CN(C(=O)NCC1(CN2CCOCC2)CCCCC1)C1CC1 83752437 CUTSYWAZLZDUHZ-UHFFFAOYSA-N 309.454 2.073 0 40 DEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1ccccc1 16025246 CHSACAQIGBZOKP-ATVHPVEESA-N 319.368 2.296 0 40 DEAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)NC(C)(C)C 16448760 BXPVYTFTLUORNZ-LLVKDONJSA-N 319.434 2.117 0 40 DEAB CN1CCN(Cc2nc3ccccc3c(=O)[nH]2)Cc2ccccc21 69090427 JQHCBSIFFWOUFI-UHFFFAOYSA-N 320.396 2.375 0 40 DEAB Cc1cnn(C[C@H]2CCCN2[C@H](C(N)=O)c2ccc(F)cc2)c1 70017316 PUZQOJYMBKNZAX-CVEARBPZSA-N 316.380 2.022 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@H](C)Cc2ccccc21 69387740 ZLXKGSIUSIWTIK-LLVKDONJSA-N 319.430 2.424 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C1CCCCC1 71818175 HUUANIGGYKJHEQ-UKRRQHHQSA-N 313.463 2.383 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)c3cccnc3N(C)C)C2)c1 69454684 ODJVPFAZNQGEPN-CQSZACIVSA-N 313.405 2.130 0 40 DEAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCC[C@@H](C)[C@@H]1C 69431690 XPORAAVKRUWUQU-JKIFEVAISA-N 320.481 2.479 0 40 DEAB C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCC[C@@H](C(F)(F)F)C1 83888606 SCOYIRCLWZQCJC-MWLCHTKSSA-N 318.295 2.199 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COc2ccc(Cl)cc2C(N)=O)C1 8403354 RALGILVOQDHDKN-QWRGUYRKSA-N 324.808 2.322 0 40 DEAB COCCOc1cccc(NC(=O)N(C)C[C@H]2CCCO2)c1 69571353 IKROVVPIYRCACN-OAHLLOKOSA-N 308.378 2.355 0 40 DEAB C[C@@H]1CN(Cc2cccnc2)CCN1C[C@H](O)c1ccccc1 69872619 ADAXCTHVPNQCMM-APWZRJJASA-N 311.429 2.321 0 40 DEAB CC(=O)NC[C@@H]1CN(c2cc(C(C)C)nc(C(C)C)n2)CCO1 97022371 RIGVOJAVLGCAIP-CQSZACIVSA-N 320.437 2.065 0 40 DEAB COc1cccc(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1 72305965 UPPJDEPPQNMJGW-LBPRGKRZSA-N 304.268 2.226 0 40 DEAB COc1ccc(C(=O)NCc2ccccc2CN(C)C)c(O)c1 9917007 YBIMIZXVZTUNKH-UHFFFAOYSA-N 314.385 2.392 0 40 DEAB CN1C[C@H](NC(=O)c2cccc(OC3CCCC3)c2)CCC1=O 75143135 XMFYQKKDICCNOU-CQSZACIVSA-N 316.401 2.359 0 40 DEAB OCCOCCSc1nc(O)c2ccc(Cl)cc2n1 75148425 XTMGRTCQDWPUJY-UHFFFAOYSA-N 300.767 2.090 0 40 DEAB CNC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408620831 MKXDUHXXFXEKQM-UHFFFAOYSA-N 308.432 2.373 0 40 DEAB O=C(NC/C=C/C1CC1)N1CCOC[C@@H]1CC1CCOCC1 1521208453 IGJIWTZNKXAUPH-PYKQWIPUSA-N 308.422 2.180 0 40 DEAB COc1ccc(CN2CCOC[C@H]2CC(=O)c2ccco2)cn1 121116870 AHTLFJFOEWKNFY-CQSZACIVSA-N 316.357 2.157 0 40 DEAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)O[C@@H]1CCOC1 78612336 ZRTZMLBTKYXNQW-SBJJXXPASA-N 301.342 2.159 0 40 DEAB Cc1ccc(CNC(=O)N(C)Cc2nccn2C(F)F)nc1 570275129 AHHTXZRADWNEGO-UHFFFAOYSA-N 309.320 2.323 0 40 DEAB Cn1ccnc1[C@H]1CCN(C[C@H](O)Cc2cccc(Cl)c2)C1 565155183 CIAJXOXGLDIREB-GOEBONIOSA-N 319.836 2.466 0 40 DEAB CCOC(=O)c1cc(C)nn(Cc2ccccc2Cl)c1=O 225961976 JQOVUHQDWVGIGG-UHFFFAOYSA-N 306.749 2.430 0 40 DEAB C[C@H](C(=O)NC1CCCCC1)N1CCN(C(=O)C(C)(C)C)CC1 130555185 CQAATBMMVLAFFV-CQSZACIVSA-N 323.481 2.014 0 40 DEAB O=C(c1cc2ccccn2c1)N1CCN(CC(F)(F)F)CC1 72834892 BPVVFERIKBXEGO-UHFFFAOYSA-N 311.307 2.259 0 40 DEAB Cc1ccc(C)c(-n2ncc(C(=O)N3CCC[C@H]3CO)c2C)c1 133431831 MMKIUTJUXNPHOI-HNNXBMFYSA-N 313.401 2.394 0 40 DEAB O=C(c1cc(-c2ccco2)on1)N1CCC2(CC1)OCCCO2 75156627 ZGMNBFVHGKXJSP-UHFFFAOYSA-N 318.329 2.304 0 40 DEAB COc1ccccc1NC(=O)c1cc(NC(=O)C(C)C)n(C)n1 46089025 HORXKKFCOXWMMI-UHFFFAOYSA-N 316.361 2.276 0 40 DEAB CC1(C)Oc2cc(S(=O)(=O)NC3CCCC3)ccc2NC1=O 46088693 LVQPSGYDZAGUQA-UHFFFAOYSA-N 324.402 2.017 0 40 DEAB C[C@@H](CN1CC[C@@H](NS(C)(=O)=O)C1)c1cccc(Cl)c1 195573003 DZQCEGIOOTZOLN-SMDDNHRTSA-N 316.854 2.067 0 40 DEAB C[C@H](C(=O)N(C)C)S(=O)(=O)N(C)c1cccc2ccccc12 193847973 YFYWQFWFMRIDKZ-GFCCVEGCSA-N 320.414 2.083 0 40 DEAB C[C@@H]1OCC[C@H]1S(=O)(=O)NCCc1c(F)cccc1Cl 195574539 GGZBGUYDVMYRGH-TVQRCGJNSA-N 321.801 2.118 0 40 DEAB O=S(=O)(Cc1ccc(CO)cc1)C[C@H](O)C1CCCCC1 195578228 KXIYIHFRWLVHHB-INIZCTEOSA-N 312.431 2.035 0 40 DEAB Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3Cc2ccco2)n1 96054033 RKFGLKLTYGNMKN-IRXDYDNUSA-N 311.385 2.358 0 40 DEAB C[C@@H](Sc1nnc(CCc2ccccc2)o1)C(=O)N(C)C 96430412 LFCFLCSVQNXJCH-LLVKDONJSA-N 305.403 2.424 0 40 DEAB Cc1ccc(CN2C[C@@H]3CN(C(=O)c4cscn4)C[C@H]3C2)o1 96245498 XCABEXJAPJJINF-CHWSQXEVSA-N 317.414 2.249 0 40 DEAB CCc1nc(Cl)c(C)c(NCC(=O)NCc2ccco2)n1 96444915 RIZLTBFGBQYYFK-UHFFFAOYSA-N 308.769 2.322 0 40 DEAB COCCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2)C1 96046504 GFRWLQZWFKRBOI-GOSISDBHSA-N 320.408 2.287 0 40 DEAB O=C(Cc1ccc(-n2cnnn2)cc1)Nc1cccc2[nH]ccc12 96116987 WTFYZDBGVBRTLK-UHFFFAOYSA-N 318.340 2.325 0 40 DEAB Cc1nn2cccnc2c1C(=O)OCCn1ncc2ccccc21 96413655 SUDOOYFILJEQRP-UHFFFAOYSA-N 321.340 2.244 0 40 DEAB CN1C(=O)C[C@H](NCc2ncc[nH]2)[C@H]1c1ccc(Cl)cc1 92849537 SQCYJJALRZWHHS-SWLSCSKDSA-N 304.781 2.125 0 40 DEAB Cc1ncccc1C(=O)N[C@H]1CC[C@H](Oc2ncccn2)CC1 244933291 CKROTDKJVZJJPO-HDJSIYSDSA-N 312.373 2.300 0 40 DEAB 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Cc1noc(C)c1CCC(=O)NCCc1nc2ccccc2[nH]1 22315946 ZZCPTPWDPPTODA-UHFFFAOYSA-N 312.373 2.459 0 40 DEAB CC[C@@H]1N(C(=O)c2cc[nH]c2)CCC[C@]12CCC(=O)N2CC 1565549971 LOVHQQNMTMAJBP-YOEHRIQHSA-N 303.406 2.410 0 40 DEAB O=C(COc1ccccc1F)NC[C@@H]1COC2(CCCCC2)O1 38827684 GQWWBYZHRSVGTA-CYBMUJFWSA-N 323.364 2.397 0 40 DEAB Cc1ccccc1NC(=O)Cn1c(C)nc2c(c1=O)CCCC2 49404656 REXNJYRUZSCJFJ-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB CNC(=O)[C@]1(Cc2ccccc2-c2ccsc2)CNCCO1 72389357 UBKWOASPBOMKBN-KRWDZBQOSA-N 316.426 2.062 0 40 DEAB CCOC(=O)Cc1cc(=O)n2nc(-c3ccc(C)cc3)cc2[nH]1 101375090 HFHIKQSIVZHZHI-UHFFFAOYSA-N 311.341 2.104 0 40 DEAB CNC(=O)c1ccccc1NCC(=O)N1CCCCCCC1 50275929 FSJHDAORSCRNOL-UHFFFAOYSA-N 303.406 2.251 0 40 DEAB COc1ccc(OC)c([C@H](O)CNC(=O)c2cccs2)c1 31338777 UGNJZFAYJLSIEQ-GFCCVEGCSA-N 307.371 2.229 0 40 DEAB CN(Cc1cccnc1)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40487819 XSSFQGZHTYWRDQ-AWEZNQCLSA-N 313.332 2.305 0 40 DEAB CCCC(C)(C)NC(=O)/C=C/c1ccc(OCC(N)=O)cc1 50808724 RGBYAZJNXADELU-JXMROGBWSA-N 304.390 2.259 0 40 DEAB COc1ccc(OC)c2c1CN(Cc1cc(C)no1)C[C@@H]2O 40540298 QCGYLVIMCAGLOL-ZDUSSCGKSA-N 304.346 2.049 0 40 DEAB CC(=O)c1ccc(C(=O)NCc2ccnc(N(C)C)c2)s1 40512563 RRLLJHRERHTTFI-UHFFFAOYSA-N 303.387 2.342 0 40 DEAB Clc1snnc1CN(C[C@@H]1CCCO1)C[C@@H]1CCCO1 40540250 FJMLTPQKISFCPE-QWRGUYRKSA-N 317.842 2.352 0 40 DEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)Nc1cnc2ccccc2c1 21136500 YQKWSKXZMUPVOB-QMTHXVAHSA-N 300.362 2.256 0 40 DEAB CC(C)c1cc(C(=O)NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cs1 102306876 YDOMIVDNRBAWCZ-TXEJJXNPSA-N 318.398 2.468 0 40 DEAB C[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)C1 33012185 UTMDSCPOQWEALN-AWEZNQCLSA-N 323.462 2.493 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)CCCc2nc(C)no2)on1 53402341 AUZBBVHKJIPVHK-GFCCVEGCSA-N 304.350 2.361 0 40 DEAB CC(C)(C)OC[C@@H](O)CN1CCN(Cc2cccs2)CC1 53420089 TYWZBUOMIGINPA-AWEZNQCLSA-N 312.479 2.042 0 40 DEAB O=C(Cc1c(F)cccc1F)NCCC(=O)Nc1ccncc1 84339111 KCEUIAXXQZVSHS-UHFFFAOYSA-N 319.311 2.047 0 40 DEAB CCCc1cc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)O)sc1C 37455057 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C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CCO1 43136479 XZOFFMQPXFDDCG-HUUCEWRRSA-N 321.421 2.237 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cccc(Cn2ccnc2)c1 24749238 ZBCUCSBHWPUDCC-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB Cc1nnc2n1C[C@H](CNCCO[C@@H]1CCCC[C@H]1C)CC2 106929473 HSTFBVINJUWMGD-VNQPRFMTSA-N 306.454 2.334 0 40 DEAB Cc1ccc2c(c1)OCCN2S(=O)(=O)N(C)[C@H](C)C1CC1 107143639 DCLRVNUPECQHKL-GFCCVEGCSA-N 310.419 2.169 0 40 DEAB Cc1ccccc1OCC(=O)NC(=S)NNc1ccccc1 9140691 NOINWZSGXQKANG-UHFFFAOYSA-N 315.398 2.392 0 40 DEAB O=C(c1ccc(Br)o1)N1CCO[C@@H]2CCC[C@H]21 44377041 ZZNALHFXUBNOEQ-RKDXNWHRSA-N 300.152 2.436 0 40 DEAB CCOc1ccccc1C(=O)OCC(=O)NCc1ccco1 3235681 LVFVBIFGLXZLAF-UHFFFAOYSA-N 303.314 2.152 0 40 DEAB Cc1cc(C)n(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 44889404 WRVIQBDIEMPALQ-ZDUSSCGKSA-N 315.373 2.149 0 40 DEAB CC(C)(C)c1ncc(C(=O)NCc2ccc(C(N)=O)cc2)s1 58406511 QQWIESZFLHYWRG-UHFFFAOYSA-N 317.414 2.470 0 40 DEAB O=S(=O)(Nc1ccc2c[nH]nc2c1)c1c[nH]c2ncccc12 57115895 BTMAUVFFUNOALH-UHFFFAOYSA-N 313.342 2.240 0 40 DEAB C[C@@H](O)CNCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 3338916 YFKIARHCYKNUKV-SSDOTTSWSA-N 310.703 2.268 0 40 DEAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCCN(c3cnccn3)C2)o1 29780359 BXFAWYBWRDFFOI-UONOGXRCSA-N 314.389 2.472 0 40 DEAB Cc1cc(OCC(=O)OCC(=O)NC(C)(C)C)ccc1Cl 3487447 VYNRJPUTALRVDW-UHFFFAOYSA-N 313.781 2.485 0 40 DEAB COc1ccccc1N1C[C@H](C(=O)NC2CCCCC2)CC1=O 3437223 UCTFHLHDXHQAMA-CYBMUJFWSA-N 316.401 2.497 0 40 DEAB COC(=O)c1ccccc1NC(=O)CSc1nncs1 3413490 WDDKOIUTZMBKBL-UHFFFAOYSA-N 309.372 2.056 0 40 DEAB COc1ccc(C2(C)N3CC4(C)CN2CC(C)(C3)C4=O)cc1 19331545 HVLSMKFAQRAKPZ-UHFFFAOYSA-N 300.402 2.094 0 40 DEAB biogenic O=c1cc(NCc2cnn(-c3ccccc3)c2)nc2ccccn12 12902737 MUGYPPIYSAAVBN-UHFFFAOYSA-N 317.352 2.492 0 40 DEAB Cc1nc(CNCc2ccc(-n3cncn3)c(F)c2)cs1 95353036 QBHWIQZNZACEGG-UHFFFAOYSA-N 303.366 2.461 0 40 DEAB COc1cc(NC(=S)NC2CCN(C)CC2)cc(OC)c1 13775626 OCIRKSWYVUJWCS-UHFFFAOYSA-N 309.435 2.084 0 40 DEAB COc1ccc(Cl)cc1NC(=O)C[C@@H]1CCS(=O)(=O)C1 4392725 DTUAJFXAIWGJHZ-VIFPVBQESA-N 317.794 2.112 0 40 DEAB CN(CC(=O)Nc1ccccc1)C[C@@H]1COc2ccccc2O1 14085871 WNMCHUJUFVRTHL-OAHLLOKOSA-N 312.369 2.397 0 40 DEAB Cc1ccccc1C1(CNC(=O)[C@@H](C)S(=O)(=O)C(C)C)CC1 65587566 WVSIACSLTVUMFO-CQSZACIVSA-N 323.458 2.355 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N2CCN(C)c3ccccc3C2)on1 65513133 DDFKJHOQEURYPV-CYBMUJFWSA-N 314.389 2.262 0 40 DEAB CCN(CC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3 14136732 SUSSJEXHADXMMO-UHFFFAOYSA-N 319.430 2.274 0 40 DEAB CCOc1ccc(NC(=S)Nn2c(C)nnc2S)cc1 4614616 HUGLLVNBYBGPNE-UHFFFAOYSA-N 309.420 2.214 0 40 DEAB COc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C 9386791 QFECGCCXOAPPHI-UHFFFAOYSA-N 321.406 2.168 0 40 DEAB COc1ccc(CCOC(=O)CNC(=O)c2ccccc2)cc1 5716626 VXUBXFXFGPZMEW-UHFFFAOYSA-N 313.353 2.211 0 40 DEAB O=C(CN(Cc1ccccc1)c1ccccc1)N1CC[C@H](O)C1 95441307 BWYGYXGJPLFOJX-SFHVURJKSA-N 310.397 2.286 0 40 DEAB CCCCn1c(SCc2nnc(-c3ccco3)o2)n[nH]c1=O 7344862 BNKRJXFDZDOYJR-UHFFFAOYSA-N 321.362 2.307 0 40 DEAB C[C@H]1Oc2ccc(NC(=O)CCc3cccnc3)cc2NC1=O 7314312 JZCCJOCBCALLMJ-LLVKDONJSA-N 311.341 2.372 0 40 DEAB COC[C@@](C)(NC(=O)c1ccc(C(N)=O)cc1)c1ccccc1 96456598 XUHIUYVBHUIXLP-GOSISDBHSA-N 312.369 2.077 0 40 DEAB Cc1cc(CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)no1 7835646 FRPWVTGOUDEUHC-HNNXBMFYSA-N 317.370 2.328 0 40 DEAB CCC(=O)N[C@H]1CCCN(C(=O)Nc2ccc(F)cc2OC)C1 71850137 QWNKLNLNJZCLLE-LBPRGKRZSA-N 323.368 2.357 0 40 DEAB CCc1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)o1 71826706 LHONUUBWYQPLPV-LBPRGKRZSA-N 318.348 2.055 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)c1 70006071 BTBISCYBYOGSIL-ZDUSSCGKSA-N 309.373 2.373 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)N)C1 70173704 VYRWZECCUWOBFJ-VXGBXAGGSA-N 316.854 2.396 0 40 DEAB O=C(N[C@H]1CCCNC1=O)N[C@@H](c1ccccc1)C1CCCC1 69743310 MEBGPMSYJOYXLB-HOTGVXAUSA-N 315.417 2.496 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69709206 SGZBHGLAEMCAQV-JKSUJKDBSA-N 305.422 2.309 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1CCCc3ccccc31)C2 69740912 QGBOFGFUSKSHFV-HNNXBMFYSA-N 310.401 2.303 0 40 DEAB 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CC[C@@H](NC(=O)c1c(C)nn2c(C)cc(C)nc12)[C@@H]1CCCO1 95975198 QGDFUNQQDZHCOR-KGLIPLIRSA-N 316.405 2.342 0 40 DEAB OC1(CN(Cc2ccncc2)CC2(O)CCCC2)CCCC1 95972554 PPUTZJSBYKWRAK-UHFFFAOYSA-N 304.434 2.494 0 40 DEAB O=C(NC[C@H]1CCCS1)N1CCc2ccccc2[C@@H]1CO 95966622 ZGVFENGXSIBCSB-HIFRSBDPSA-N 306.431 2.183 0 40 DEAB C[C@H](CNC(=O)NCC1C2CC3CC(C2)CC1C3)[S@](C)=O 95978255 GKOMCEZLWOGINP-OQZSQDECSA-N 312.479 2.125 0 40 DEAB O=C1c2cccn2[C@@H]2CN(Cc3ccccn3)C[C@@H]2N1CC1CC1 306123715 AUNRHZVOJGXALJ-MSOLQXFVSA-N 322.412 2.174 0 40 DEAB Cn1cc(-c2noc(-c3cccc(OCC(F)F)n3)n2)cn1 89645180 KJIKLPPTRQULQE-UHFFFAOYSA-N 307.260 2.176 0 40 DEAB O=C1C[C@@]2(CCSC2)C(=O)N1Cc1ccn(C2CCCC2)n1 89884708 SDIGBWSXBAWGJZ-MRXNPFEDSA-N 319.430 2.380 0 40 DEAB CN(C)C(=O)CO[C@H]1CCC2(CCNCC2)c2ccccc21 306140591 UYJXMRQFZIFASK-INIZCTEOSA-N 302.418 2.248 0 40 DEAB CCc1cc(N2CCC[C@@H](C(N)=O)C2)nnc1-c1ccccc1 521398411 FQNPHIJFWDJSCI-OAHLLOKOSA-N 310.401 2.408 0 40 DEAB O=C(NCc1cc(Cl)ccc1OC(F)F)[C@@H]1CCCN1 72512990 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COCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1C 227151178 WFJAYBMEAWGGDE-UHFFFAOYSA-N 317.389 2.101 0 40 DEAB CN1CCC(N)(C(=O)NC(c2ccccc2)c2ccccc2)CC1 91690025 OABWTZWDEQWEBI-UHFFFAOYSA-N 323.440 2.315 0 40 DEAB O=C(NCC1CC1)[C@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1 96057459 DQXAIRXHUSQZRP-BZUAXINKSA-N 320.458 2.396 0 40 DEAB Cc1cc(C)n(C[C@H](C)Nc2ccc3nnc(C4CC4)n3n2)n1 95403116 VIZNZTSOKPVWCZ-NSHDSACASA-N 311.393 2.316 0 40 DEAB O=C(NCCc1cccc2cccnc12)C1(O)CCSCC1 96486937 TWBMEBNRHRTVGR-UHFFFAOYSA-N 316.426 2.152 0 40 DEAB O=C(c1ncccn1)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109249 HJJZRTMYMXKOCX-KDOFPFPSSA-N 324.384 2.193 0 40 DEAB CN1CCCC[C@H]1CCSc1nnnn1CC(F)(F)F 330032603 PQSMVHITSUUFEI-VIFPVBQESA-N 309.361 2.202 0 40 DEAB CS[C@@H]1CC[C@H](NC(=O)NCCc2cn3c(n2)CCCC3)C1 96437742 PMEJVWJEBYMZFZ-GXTWGEPZSA-N 322.478 2.345 0 40 DEAB C[C@@]12C[C@@H]3C(=O)Nc4ccccc4C(=O)N3[C@@H]1CCCCC2=O 95951555 UTSUXVGYVAKXNL-HBUWYVDXSA-N 312.369 2.371 0 40 DEAB c1cnc(N[C@H]2COC3(CCN(Cc4ccoc4)CC3)C2)nc1 96221551 ARTQYLXAAIWYFO-OAHLLOKOSA-N 314.389 2.305 0 40 DEAB CC(=O)Nc1cccc2c1CCN([C@@H](C)C(=O)N(C)C(C)C)C2 96447037 NNHGHMLMASCKJV-ZDUSSCGKSA-N 317.433 2.258 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)OC[C@H]2CCCc3ccccc32)C1 96404090 KMQSEUFDGPSOCG-LSDHHAIUSA-N 316.401 2.440 0 40 DEAB CN(C)C(=O)COCC[C@@H]1CN(C2CCCC2)Cc2cccn21 248031994 UCEHEXXSBAGHDW-QGZVFWFLSA-N 319.449 2.282 0 40 DEAB CCOc1cccc(C(=O)N2CC3(C[C@@H](OC)CCO3)C2)c1 247951978 MLUFIOYEFOPQCS-HNNXBMFYSA-N 305.374 2.105 0 40 DEAB CCN[C@@H]1CCOC2(CCN(C(=O)c3scnc3C)CC2)C1 257255666 KIJXCTOJQPLFIO-CYBMUJFWSA-N 323.462 2.215 0 40 DEAB CC(=O)N1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257254340 KCRDVQMGKLFJST-HNNXBMFYSA-N 304.321 2.324 0 40 DEAB Cc1ccc(C(=O)N2CCO[C@@H](CCc3ccncn3)C2)s1 257329842 XLTHDIXWONNKTP-AWEZNQCLSA-N 317.414 2.320 0 40 DEAB CCn1nc(C)c(CN2CC[C@@]3(CCCO3)[C@@H](OC)C2)c1C 257210952 BWWBYGZWKXFANV-IRXDYDNUSA-N 307.438 2.290 0 40 DEAB OCCN(Cc1ccccc1)Cc1ccnc([C@H]2CCCO2)n1 257297923 RJIPYTKLSVWHBY-QGZVFWFLSA-N 313.401 2.323 0 40 DEAB Cc1nc2ccc(C(=O)N3CCO[C@@H](c4ccncc4)C3)cc2[nH]1 257282817 OVKIIKBCRSKNAY-QGZVFWFLSA-N 322.368 2.480 0 40 DEAB COc1cccc(C[C@H]2CN(C(=O)c3ccncc3)CCO2)c1 257299801 RRQIMZPKGAWJBH-KRWDZBQOSA-N 312.369 2.174 0 40 DEAB C[C@](O)(C1CCN(C(=O)c2ccncc2F)CC1)C(F)(F)F 545250140 ZPGYSAYZALAFET-ZDUSSCGKSA-N 320.286 2.386 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2)o1 257221763 DQKTZDJGAZUHID-CQSZACIVSA-N 306.387 2.362 0 40 DEAB COc1ccc(C[C@@H]2CC3(CCN(CCO)CC3)CO2)cc1 257262163 LKJPAYMIXXITTP-QGZVFWFLSA-N 305.418 2.101 0 40 DEAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@@H](CO)C2)o1 257244767 IMRMUEKQCSBKNF-GFCCVEGCSA-N 301.342 2.459 0 40 DEAB N/C(=C\c1nnc(S)n1-c1ccccc1)N1CCCCC1 100715933 CUFPBTCKNBTGOR-ACCUITESSA-N 301.419 2.299 0 40 DEAB O=C(C1CCC1)N1CC2(CC[C@H](CN3CCCCC3)CO2)C1 575406365 NQDFIEKGZRDVKC-OAHLLOKOSA-N 306.450 2.280 0 40 DEAB COc1ccccc1[C@H]1CCCN1CCC(=O)N1CCOCC1 69084945 TUPDOWVTHRFYHF-MRXNPFEDSA-N 318.417 2.081 0 40 DEAB COCCN1CCN(CCCc2nc3ccccc3o2)CC1 71817184 NHBPLIDAIDXELD-UHFFFAOYSA-N 303.406 2.024 0 40 DEAB CN(C)[C@@H](CNc1ncnc2c1cnn2C)c1ccc(F)cc1 52486088 MUBAJJBUANVHQZ-AWEZNQCLSA-N 314.368 2.217 0 40 DEAB Cc1cc(OCc2ncc(C(=O)O)c(=O)[nH]2)cc(C)c1Cl 58038248 KENJDVXEDZWKSD-UHFFFAOYSA-N 308.721 2.317 0 40 DEAB CC(C)CNC(=O)NC(=O)COc1ccc2c(c1)CCCC2=O 58294208 SOLPEPXWFXMPMV-UHFFFAOYSA-N 318.373 2.066 0 40 DEAB C[C@H](N(C)C(=O)CCn1ncc(=O)c2ccccc21)C1(C)CC1 75108219 QQXMMVHMTHVLTC-ZDUSSCGKSA-N 313.401 2.434 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@H]2C(=O)[C@H]3CCCC[C@H]32)cc1 13996946 KBBYFBBNPXYOHV-QLFBSQMISA-N 307.415 2.373 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC 19936839 FVYKVYFUAWNGRN-SNVBAGLBSA-N 312.391 2.081 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC[C@H](Oc3cccnn3)C2)s1 225453757 JNAULBGVEVXBOO-LBPRGKRZSA-N 318.402 2.234 0 40 DEAB C[C@]1(c2ccccc2)CN(C(=O)c2cnn3cccnc23)CCO1 532359659 JRZVXAIFLUOLLI-GOSISDBHSA-N 322.368 2.117 0 40 DEAB O=C(COC(=O)c1cccc2ccccc12)NC[C@H]1CCCO1 3320472 OJGPOOZUVHATRS-CQSZACIVSA-N 313.353 2.292 0 40 DEAB CCc1c(C)nc(C)nc1N1CCN(Cc2cc(C)no2)CC1 1888860083 ZDCQSVWTRLZZJH-UHFFFAOYSA-N 315.421 2.274 0 40 DEAB Cc1nnc(N2CC(Nc3ncnc4sccc34)C2)s1 1889136340 VTHIAYFFNHGFEV-UHFFFAOYSA-N 304.404 2.152 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1Br 2738697 WOPVHNPLEYXXMT-SCZZXKLOSA-N 300.200 2.491 0 40 DEAB Cc1cccnc1C(=O)N1CC2(C[C@H](N3CCCC3)CS2)C1 2056224198 GJGKLIBAOCDKAB-AWEZNQCLSA-N 317.458 2.186 0 40 DEAB Cc1ccc(-c2cc(=O)n(CC(=O)Nc3ccncc3)cn2)cc1 13806759 BPTBSQFBSAEMHJ-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)n2nnnc2N1 15080056 VBDOCXDPYQOWPO-ZDUSSCGKSA-N 317.324 2.053 0 40 DEAB O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3n2)cc1 38410628 SVQQGBISJVVTSC-UHFFFAOYSA-N 321.336 2.284 0 40 DEAB O=c1c2ccccc2n(-c2ccccc2)c(=O)n1Cc1ccon1 41107737 ZJFMOJJLLPYLLA-UHFFFAOYSA-N 319.320 2.189 0 40 DEAB O=C(N[C@@H]1CCc2ccccc21)c1cnc2ccccn2c1=O 40488612 HSSFSFYCZOBRPW-OAHLLOKOSA-N 305.337 2.112 0 40 DEAB CC1(C)Cc2c(sc3nc4[nH][nH]c(=S)n4c(=O)c23)CO1 346275 RARHKHBRYZGGAS-UHFFFAOYSA-N 308.388 2.146 0 40 DEAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccccn2)c1 32901946 ZJUSEOHGVQKAEG-UHFFFAOYSA-N 324.384 2.423 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102839203 ZIVSMMZWULXRQI-FQUUOJAGSA-N 301.342 2.150 0 40 DEAB Cc1nc(CC(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)cs1 22841755 XPKWMPJHSMOPOH-ZWNOBZJWSA-N 310.419 2.232 0 40 DEAB C[C@@H](NC(=O)Nc1nnc(-c2ccccn2)s1)[C@@H]1CCCO1 47790946 IRZWJHJOJHGPII-KOLCDFICSA-N 319.390 2.289 0 40 DEAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)NC(C)C)cc1 1379475 PMDVJMKEJHVMTO-AWEZNQCLSA-N 305.378 2.216 0 40 DEAB COc1cc(Br)ccc1C(=O)NCCCN(C)C 79333113 GEGFMDKNZUADHJ-UHFFFAOYSA-N 315.211 2.139 0 40 DEAB CCCC[n+]1c(C)n(CC)c2ccc(S(=O)(=O)N(C)C)cc21 3127926 QXYZMJZUUCZLND-UHFFFAOYSA-N 324.470 2.308 0 40 DEAB C[C@H](CN(C)C(=O)c1csc(Br)c1)C(=O)O 42695161 FPQUWJIZVNEQRD-ZCFIWIBFSA-N 306.181 2.303 0 40 DEAB COc1ccc(CNCC[C@@]2(O)C[C@@H](C)N(C)C[C@H]2C)cc1 4785349 YPTJQGIRFIIISJ-IIDMSEBBSA-N 306.450 2.266 0 40 DEAB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)nc1 6966985 KZXJTQFNLDONRO-RIYZIHGNSA-N 310.357 2.320 0 40 DEAB Cc1cccc(C(=O)OCC(=O)N(C)Cc2ccsc2)c1N 7121919 UBCNYQBGJBNKKX-UHFFFAOYSA-N 318.398 2.454 0 40 DEAB Cc1cc(NC(=O)CSCCO)ccc1Br 7198252 KOTMFFHMVVFECY-UHFFFAOYSA-N 304.209 2.422 0 40 DEAB C[C@H](NC(=O)c1cnc2ccccn2c1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106508747 JVHZUDZYCVGDQE-XUXIUFHCSA-N 311.385 2.249 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)c1 12532551 FDOTZNDMNOQXDF-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB Cc1ccnc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 12517019 GOIKWURWUCEWOH-HNNXBMFYSA-N 309.369 2.377 0 40 DEAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cnnn1 55927209 CRKCNFVDWSOPLX-UHFFFAOYSA-N 314.176 2.029 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 107585748 ZGBQNZSPQRNCPZ-RVSPLBMKSA-N 314.433 2.234 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3ON=C(c4ccc(F)cc4)[C@@H]3C2=O)cc1 103536409 XIDKLXTXDWKNPW-HOCLYGCPSA-N 324.311 2.427 0 40 DEAB CCCCN(C)S(=O)(=O)N(C)c1ccc(F)cc1OC 95399690 GBINVOSITYOZMF-UHFFFAOYSA-N 304.387 2.247 0 40 DEAB CCOC(=O)CSCc1cc(=O)n2cc(Cl)ccc2n1 58282853 JRCYMGIVQVVWEQ-UHFFFAOYSA-N 312.778 2.144 0 40 DEAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc2c(c1)NC(=O)CO2 44913944 LPXFSGSAAUSPEO-SSDOTTSWSA-N 319.752 2.216 0 40 DEAB COCc1nnc(NC(=O)COc2ccccc2Cl)s1 28228185 OZDLIZZPQKVRRF-UHFFFAOYSA-N 313.766 2.355 0 40 DEAB Cc1csc(NC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 3382592 NTTCAWVBJZEFQX-JTQLQIEISA-N 305.359 2.032 0 40 DEAB CCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C 2317024 BTEICAMCFLMAMT-VIFPVBQESA-N 310.423 2.114 0 40 DEAB CC1=NN(c2ccc(C(=O)Nc3ccc(=O)n(C)c3)cc2)CC1 48364620 ZMIAZXQODZKQDD-UHFFFAOYSA-N 310.357 2.224 0 40 DEAB CN(C)CCOc1cccc(CNC(=O)Nc2cccnc2)c1 45814674 CQKNPMFMRUBLBH-UHFFFAOYSA-N 314.389 2.344 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@H]2CCCC[C@@H]21 46493896 WIIMDQSUILXDSM-HOTGVXAUSA-N 305.422 2.140 0 40 DEAB CCOc1cc2c(cc1NC(=O)COCCOC)O[C@@H](C)C2 37132947 JSHIICHOQOOTMN-NSHDSACASA-N 309.362 2.010 0 40 DEAB C[C@H]1CCc2sc(C(=O)N[C@@H](C)CN3CCOCC3)cc2C1 46886251 ZDLYQWJIHIWZQR-STQMWFEESA-N 322.474 2.323 0 40 DEAB CC(=O)c1ccc(OCC(=O)N[C@H]2CCN3CCCC[C@H]23)cc1 46997962 YNBUTMPBUJLDIQ-DLBZAZTESA-N 316.401 2.011 0 40 DEAB C[C@H](Cc1ccccc1Cl)NC(=O)[C@@H]1CCN(C)C(=O)C1 46931636 OYKWNOKPHRKZEO-DGCLKSJQSA-N 308.809 2.256 0 40 DEAB Cc1ccc(C)c(C(=O)OCn2nnc3ccccc3c2=O)c1 3519821 SPVKLULCFNRYMP-UHFFFAOYSA-N 309.325 2.223 0 40 DEAB O=[S@@](Cc1ccc(Oc2ccccc2)cc1)C[C@H](O)CO 12960322 CVKUHFHPMZEPJA-SPLOXXLWSA-N 306.383 2.081 0 40 DEAB COc1c2c(cc3c1[C@H](C[C@@H](O)C(C)C)N(C)CC3)OCO2 4081563 YOXGNJRAWXKDHZ-QWHCGFSZSA-N 307.390 2.360 0 40 DEAB biogenic CC(C)CCNC(=O)c1cc2c([nH]c1=O)CC(C)(C)CC2=O 49545012 IUKXZXGKNDHQRH-UHFFFAOYSA-N 304.390 2.306 0 40 DEAB Cc1cc(NC(=O)Cc2ccccc2O)ccc1OCCO 96008211 LHWUWMNRSFYJRT-UHFFFAOYSA-N 301.342 2.253 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)NCC(C)(C)N(C)C 65622298 NVLFETZBYBQEBW-UHFFFAOYSA-N 305.378 2.242 0 40 DEAB COc1ccc(C(=O)N2[C@@H](C)CCC[C@H]2C)cc1-n1cnnn1 97081143 ATXRFNGZOVQSNU-TXEJJXNPSA-N 315.377 2.074 0 40 DEAB CC(C)[C@H](NC(=O)CCc1cn(C)c2ccccc12)C(=O)O 97035333 QUIIQOYYTKLZFB-INIZCTEOSA-N 302.374 2.336 0 40 DEAB CC(C)[C@@H](N)CCN(C)C(=O)c1coc(Br)c1 97019697 RYWWNIKECVJXTF-JTQLQIEISA-N 303.200 2.488 0 40 DEAB C[C@H]1Oc2ccccc2N(CCC(=O)Nc2nccs2)C1=O 9364638 NEMGIAKFZHJMQT-SNVBAGLBSA-N 317.370 2.286 0 40 DEAB CCOC(=O)[C@@](NC(=O)c1ccc(F)cc1)(OC)C(F)(F)F 4802400 NKVPAYBMJIIRRG-GFCCVEGCSA-N 323.242 2.024 0 40 DEAB C[C@]1(C(=O)CSc2nc(-c3ccccc3)n[nH]2)CCC(=O)O1 5912423 GZWVJQVGBVWDKC-OAHLLOKOSA-N 317.370 2.229 0 40 DEAB COC(=O)CCCCCNC(=O)c1cc2c(C)nn(C)c2s1 15544372 WJDNOYVCSUHYKF-UHFFFAOYSA-N 323.418 2.406 0 40 DEAB CC(C)[C@@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 7804181 ZGBAKFFFLPYTGV-GFCCVEGCSA-N 302.374 2.224 0 40 DEAB O=C(C[C@H]1OCCc2ccccc21)N[C@H]1CCc2nccn2C1 72285412 PIGAYLNOSOEOMZ-GOEBONIOSA-N 311.385 2.018 0 40 DEAB Cc1csc(=O)n1CCC(=O)N1CCc2ccccc2C1 16493202 ALMWIVMVPOMPPZ-UHFFFAOYSA-N 302.399 2.193 0 40 DEAB COc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1 8240423 GZKFFHOATVZVOH-UHFFFAOYSA-N 309.325 2.044 0 40 DEAB CC(C)Cn1cc(C(=O)N2CCNC(=O)CC2)c2ccccc21 71839488 PYSBCQGWYVVEKJ-UHFFFAOYSA-N 313.401 2.259 0 40 DEAB O=C(NCC1CC1)[C@@H]1CSCN1C(=O)CCc1ccsc1 69415514 QLPIRGMPUBWGNV-ZDUSSCGKSA-N 324.471 2.108 0 40 DEAB CC[C@H](CNC(=O)COc1nnc2ccccn12)c1ccccc1 71800040 ZGPLLWNXMXUMLS-CQSZACIVSA-N 324.384 2.418 0 40 DEAB C[C@@H](NC(=O)NCCc1ccnn1C)c1ccc(F)c(F)c1 96503020 IWCIESMBMHGZOK-SNVBAGLBSA-N 308.332 2.301 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccccc1F 69739179 CDQCAZDGCMSHDW-KSZLIROESA-N 320.408 2.334 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c2c(C)n[nH]c2n1 69742191 KSQKRBGIVYDNEX-ZDUSSCGKSA-N 324.388 2.076 0 40 DEAB Cc1ccc(CNC(=O)CN2CCC[C@H](c3ccn[nH]3)C2)s1 72270722 GDZRBATUZLPEHQ-ZDUSSCGKSA-N 318.446 2.275 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c(C)c1C 18154032 DROKIYIEIHVQEJ-PHIMTYICSA-N 313.419 2.110 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCCC[C@H]1Cn1cccn1 69971400 DYWUEKGJOSFXHO-HNNXBMFYSA-N 317.364 2.482 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](NCc3cccnc3)C2)c1 83920106 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217556367 LDJYHYZAJYNBQD-SNVBAGLBSA-N 314.407 2.284 0 40 DEAB CNC(=O)[C@H]1CCC[C@@H]1Nc1nc(Cl)nc(Cl)c1F 521398395 CPIRASNIZUCDIB-WDSKDSINSA-N 307.156 2.249 0 40 DEAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1CCC(=O)N1 79000940 HWYJHIFMAIARFS-QGZVFWFLSA-N 323.396 2.197 0 40 DEAB CCCNC(=O)CCCC(=O)Nc1ccc(-c2nc[nH]n2)cc1 79001751 CRSXNVJVQQYDSR-UHFFFAOYSA-N 315.377 2.107 0 40 DEAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 36719511 JBDHLLJUMXDGRW-BPNCWPANSA-N 321.446 2.215 0 40 DEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccn(C)c1=O 74020447 JYOSMDFRMWIKEN-SNVBAGLBSA-N 306.749 2.445 0 40 DEAB CN(C(=O)CN1CCC[C@@H]1C[C@H](O)c1ccccc1)C1CC1 76108058 KNLZAKPDHVNUHH-SJORKVTESA-N 302.418 2.195 0 40 DEAB Cc1nnc(-c2ccc(CNC(=O)OC(C)(C)C)cc2)nn1 221136350 ZKCNBDFBCVJXDK-UHFFFAOYSA-N 301.350 2.267 0 40 DEAB O=C(CCc1cccnc1)N[C@@H]1CCCN(c2ccccn2)C1 131252625 CHJKKLDMSMNRGW-MRXNPFEDSA-N 310.401 2.194 0 40 DEAB CC(C)=CCOc1cccc(C(=O)N(C)[C@H]2CCN(C)C2=O)c1 96425281 WEQTYMXRUYRWRO-INIZCTEOSA-N 316.401 2.334 0 40 DEAB COc1ccc(C[S@@](=O)CCC(=O)NC(C)(C)C)cc1F 96403196 MYXVIAXDHWLDLT-OAQYLSRUSA-N 315.410 2.388 0 40 DEAB CC1=CCN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)CC1 578875220 KYBLDUUNRUCCDS-CYBMUJFWSA-N 302.374 2.042 0 40 DEAB Cc1ccc(C(=O)N2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)o1 96053628 FDFMYEKBXMCFEJ-HIFRSBDPSA-N 310.353 2.323 0 40 DEAB C[C@](O)(CNC(=O)CC[C@H]1CCOC1)c1ccccc1Cl 97379008 JVZVEAXQFMVSHF-LRDDRELGSA-N 311.809 2.480 0 40 DEAB O=C1COC2(CCN(Cc3ccsc3)CC2)CN1CC1CC1 96062158 NINBGYHRODAUCQ-UHFFFAOYSA-N 320.458 2.352 0 40 DEAB O=C(c1cscn1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107474 RRUALKCTTRKKJO-BBRMVZONSA-N 322.430 2.333 0 40 DEAB COCC[C@@H](NC(=O)c1nccnc1N)c1ccc(Cl)cc1 96471035 LYCBCRJHBBYWPA-GFCCVEGCSA-N 320.780 2.220 0 40 DEAB CC[C@](C)(CC(=O)O)NC(=O)c1coc(Br)c1 97228689 MFQLUEFRCOSZEG-LLVKDONJSA-N 304.140 2.415 0 40 DEAB O=C(NCCc1ccc2c(c1)CCO2)NCCc1cscn1 96480672 NNEVAIROAXSLIF-UHFFFAOYSA-N 317.414 2.162 0 40 DEAB O=C(N[C@@H]1CCn2nccc2C1)c1cc(-c2cccs2)on1 245060662 PTWCWYPOIZXNJC-SNVBAGLBSA-N 314.370 2.344 0 40 DEAB NC(=O)[C@@H](NCc1ccc(N2CCCC2=O)cc1)c1ccccc1 26224635 QTHGZKWCJFDEMM-SFHVURJKSA-N 323.396 2.130 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2cnc(-c3nccn3C)cn2)ncn1 257261569 LHXLYHQLVRAXJS-OAHLLOKOSA-N 321.388 2.317 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2C 252511322 ZYKBKQBOPOVFFS-GFCCVEGCSA-N 324.446 2.453 0 40 DEAB Nc1nc(C2CCNCC2)ccc1C(=O)NCc1ccccc1 257264835 LWEOLHYNKKPVPQ-UHFFFAOYSA-N 310.401 2.061 0 40 DEAB Cc1ccc(S(=O)(=O)N2Cc3cncnc3C2)cc1Cl 96366459 BTKWINWXNIFXDX-UHFFFAOYSA-N 309.778 2.143 0 40 DEAB Cc1cnc(C(=O)N2[C@H]3CC[C@H]2CC(Oc2cccnc2)C3)cn1 390830965 OQFJFNVJGUUGQO-KBPBESRZSA-N 324.384 2.395 0 40 DEAB Cc1ccc2nc(O)c(CNC[C@H](O)COC(C)C)cc2c1 585291812 DMMOKMDVKFPMSX-HNNXBMFYSA-N 304.390 2.124 0 40 DEAB CCOCC(=O)N1CCC[C@]2(CCN2Cc2cnc(C)s2)C1 585102043 OPCIKPQTYILYIR-INIZCTEOSA-N 323.462 2.055 0 40 DEAB Brc1ccc(Sc2ccc3nnnn3n2)cc1 58492692 AGWDXBLCYRTCMM-UHFFFAOYSA-N 308.164 2.433 0 40 DEAB O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1c[nH]cn1 89768472 NBIOVWPXEIQDIB-UHFFFAOYSA-N 309.244 2.368 0 40 DEAB CC(C)(C)[C@H](CCO)NS(=O)(=O)c1cccc(Cl)c1 95432877 FKFAQIVEDQELPD-LBPRGKRZSA-N 305.827 2.415 0 40 DEAB O=C(c1ccccc1F)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 12032119 WUKSHEBWAYSRQU-QWHCGFSZSA-N 312.344 2.247 0 40 DEAB COc1ccc2cc(C(=O)NCCn3ccnc3C)n(C)c2c1 12143778 NNZMUDODBDGAFZ-UHFFFAOYSA-N 312.373 2.122 0 40 DEAB C[C@H]1CN(C(=O)COC(=O)c2ccc(Cl)s2)C[C@@H](C)O1 13068217 XDOAYXFYEOHIOZ-DTORHVGOSA-N 317.794 2.194 0 40 DEAB O=C(COC(=O)c1ccc(CO)cc1)NCCC1=CCCCC1 3418734 SOFMWNJICYJVTG-UHFFFAOYSA-N 317.385 2.342 0 40 DEAB c1ccc(-n2ncc3c2ncn2nc([C@@H]4CCCO4)nc32)cc1 538579 SYNVWOTWEDGQLP-ZDUSSCGKSA-N 306.329 2.315 0 40 DEAB CCn1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)n1 11738195 IMZFTIWMRPVIPM-UHFFFAOYSA-N 313.317 2.214 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NC[C@@H](c1ccsc1)N1CCC1 225594400 NWVWLBPXKZPSQX-AWEZNQCLSA-N 318.446 2.275 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 43584765 XIHNEHWTBWQXJD-CYBMUJFWSA-N 311.403 2.261 0 40 DEAB CCCCOC[C@@H](O)CN1CCN(c2ccc(C)cc2)CC1 19908756 KFZPNMNTHXPFJN-SFHVURJKSA-N 306.450 2.295 0 40 DEAB COc1ncccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C 30307385 GXIJDLSDTJCBQT-UHFFFAOYSA-N 301.346 2.168 0 40 DEAB CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 30521832 HOIZOXLQNJHAQD-VXGBXAGGSA-N 316.357 2.042 0 40 DEAB COc1cc(CN[C@H](C)Cn2cccn2)cc(OC)c1OC 30904355 MDGBIGDIXXFTEN-GFCCVEGCSA-N 305.378 2.087 0 40 DEAB COc1ncccc1C(=O)NCc1ccc(N2CCCC2)nc1 31316851 MHNPBAACQJXCRH-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB CCCc1noc([C@@H](C)Sc2nnnn2C[C@H]2CCCO2)n1 40496571 NUITXHOZAKNTDE-NXEZZACHSA-N 324.410 2.041 0 40 DEAB COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1cc(C)no1 40498749 PZOHSEPETJSVOW-UHFFFAOYSA-N 323.370 2.309 0 40 DEAB CC(=O)N1CCN(C(=O)c2nc(-c3cccs3)oc2C)CC1 40529527 FDKKQULTPBFXEE-UHFFFAOYSA-N 319.386 2.016 0 40 DEAB Cc1cccc(C)c1OC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40512004 QYJYULZHWPIAOD-UHFFFAOYSA-N 323.370 2.366 0 40 DEAB CCCN(CCC)C(=O)Nc1cccc(OCC(=O)NC)c1 40527050 NRIXCVNDZIGOOC-UHFFFAOYSA-N 307.394 2.465 0 40 DEAB COc1ccnc(N2CCC[C@@H]2c2nnc3n2CCCCC3)n1 32779213 UJAYXRPUZSBHKT-GFCCVEGCSA-N 314.393 2.145 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)o1 33118527 PJRFSVWOFBNNPC-SNVBAGLBSA-N 300.314 2.410 0 40 DEAB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)OC 421573 PKVKOTXARGDPAD-UHFFFAOYSA-N 324.381 2.314 0 40 DEAB N[C@@H](CCCCC[P@@](=O)(O)CCc1ccccc1)C(=O)O 2139900 HXFOQPAMWAWQNR-AWEZNQCLSA-N 313.334 2.472 0 40 DEAB biogenic CC[C@@H](NS(=O)(=O)c1cn(C)nc1C)c1ccc(C)cc1 2804462 MWHSMILBEQEUSJ-CQSZACIVSA-N 307.419 2.467 0 40 DEAB Cc1sc2ncnc(-n3[nH]c(=O)c4ccccc4c3=O)c2c1C 3141833 WFGRUHHZTHHQKE-UHFFFAOYSA-N 324.365 2.301 0 40 DEAB O=C(COC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2 3398305 ZZFZHYWHNZPYKZ-UHFFFAOYSA-N 313.309 2.253 0 40 DEAB CC(=O)c1ccccc1NC(=O)COc1ccccc1C(N)=O 4341265 OTJJTCGDPQNMOZ-UHFFFAOYSA-N 312.325 2.006 0 40 DEAB Cc1ccc(C)c(Cc2c(C)nc(N3CCOCC3)[nH]c2=O)c1 4626488 FOEPBXCTKSOFOQ-UHFFFAOYSA-N 313.401 2.123 0 40 DEAB Cc1ccccc1-n1c(=O)[nH]c(O)c(Cc2ccccc2)c1=O 4705545 MYYYCLVSQQELMV-UHFFFAOYSA-N 308.337 2.131 0 40 DEAB C[C@@H](OC(=O)c1cc(F)c(F)cc1Cl)C(=O)NC1CC1 5830782 KNELSHLEIOVGOT-ZCFIWIBFSA-N 303.692 2.442 0 40 DEAB O=C(OCn1nnc2ccccc2c1=O)c1ccc(Cl)s1 6650606 ATPJDYSKPCLILJ-UHFFFAOYSA-N 321.745 2.321 0 40 DEAB O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 6698267 ZBZQEVZNRMYSMZ-FVQNPYPUSA-N 315.413 2.450 0 40 DEAB CCN(CC)CCN1C(=O)C(=O)c2c(Cl)ccc(OC)c21 6760312 SVMUBJBOGKNWAR-UHFFFAOYSA-N 310.781 2.220 0 40 DEAB CSc1ccc(CN(C)C(=O)CSc2nncn2C)cc1 7077038 LUOBCLNBGWXFGG-UHFFFAOYSA-N 322.459 2.288 0 40 DEAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1OC 7305418 DTOPUOWROFXMDW-UHFFFAOYSA-N 311.359 2.118 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCCCCC1 8130975 GHJVRWXWHNYAHM-UHFFFAOYSA-N 324.446 2.262 0 40 DEAB CCn1ccnc1SCC(=O)NCc1ccc(OC)cc1 8707782 ZAVGSSIKGGFHDR-UHFFFAOYSA-N 305.403 2.320 0 40 DEAB O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 9154830 QOXMVTXAAFBOJX-CYBMUJFWSA-N 322.430 2.050 0 40 DEAB O=C(NCCCc1ccccc1)C(=O)NCc1cccs1 10326555 GTRIFRQSODBZST-UHFFFAOYSA-N 302.399 2.113 0 40 DEAB COc1ccccc1CNS(=O)(=O)c1cc(F)cc(F)c1 10492448 VKQHYQGWLIZAPJ-UHFFFAOYSA-N 313.325 2.452 0 40 DEAB Cc1ccccc1COC(=O)c1csc(S(N)(=O)=O)c1 11646181 JQRNGXRZDADJKR-UHFFFAOYSA-N 311.384 2.061 0 40 DEAB Cc1ccccc1C1=NO[C@@H](C[C@]2(C(=O)O)CCCNC2)C1 12157337 VSIJIVUQOAHODA-CXAGYDPISA-N 302.374 2.333 0 40 DEAB COc1cccc(OC)c1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 12170281 APTCTONTNWIXCI-QLFBSQMISA-N 323.433 2.421 0 40 DEAB O=c1n(Cc2cccc3cccnc23)nnn1-c1ccccc1 12921641 WTEJAWHHEKTZHR-UHFFFAOYSA-N 303.325 2.026 0 40 DEAB O=C(COc1ccccc1F)NCCc1ccc2c(c1)OCO2 14199004 PNRVYZQYOVZAJU-UHFFFAOYSA-N 317.316 2.292 0 40 DEAB COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C)c1 14201246 KLHYDYWQJOTZIV-ZBEGNZNMSA-N 322.405 2.042 0 40 DEAB COC(=O)c1cccc(NC(=O)[C@H](NC(C)=O)C2CCCC2)c1 16469716 ZZZTZWYCUIQOJT-OAHLLOKOSA-N 318.373 2.107 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)CC2)c1 20219019 HTHZQXAUSRUCKQ-UHFFFAOYSA-N 311.385 2.175 0 40 DEAB COc1ccc(Cn2ncc3cc(C(=O)O)cnc32)c(OC)c1 20283645 CBCVYCCUGFAPAF-UHFFFAOYSA-N 313.313 2.195 0 40 DEAB CN1CCN(c2ccc(NC(=O)CCc3ccccc3)cn2)CC1 20374095 GHXSXRZFUBRTRJ-UHFFFAOYSA-N 324.428 2.405 0 40 DEAB COC[C@@H](C)NC(=O)c1cnc(SC)n1-c1ccc(F)cc1 22625027 UFIPPIQSPUPRKZ-SNVBAGLBSA-N 323.393 2.498 0 40 DEAB CS(=O)(=O)c1ccc(F)c(NC(=O)CCc2ccco2)c1 24594252 ZZUXEDZQZPNOFJ-UHFFFAOYSA-N 311.334 2.394 0 40 DEAB CNC(=O)CNC(=O)c1ccccc1Nc1ccc(F)cc1 25193509 HHZMVDCUBUUHSN-UHFFFAOYSA-N 301.321 2.045 0 40 DEAB CCn1c(-c2cccs2)nn(CN2CCOCC2)c1=S 25561844 TVFHNOSSLNXEPL-UHFFFAOYSA-N 310.448 2.452 0 40 DEAB Cc1cc(C(=O)NC[C@H]2CCCO2)c2cnn(C(C)C)c2n1 27396828 HDQUYGQRZYHZHN-GFCCVEGCSA-N 302.378 2.229 0 40 DEAB Cc1ccnc(SCC(=O)Nc2cccc3nonc23)n1 32578507 SZDGYCCXOBPMFG-UHFFFAOYSA-N 301.331 2.052 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1 32815999 DTLSUZOENIKUJH-LBPRGKRZSA-N 314.307 2.022 0 40 DEAB Cc1cc2nnc(SCC(=O)c3ccccc3F)n2c(N)n1 35315151 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C[C@H](CCc1ccco1)NC(=O)c1cccc2c1OCC(=O)N2 69769299 XADYTZBSVMFFTR-LLVKDONJSA-N 314.341 2.362 0 40 DEAB C[C@H](N)[C@@H]1CCCN(C(=O)c2cncc(Br)c2)C1 70173154 XSJGOVNXORKRRQ-VHSXEESVSA-N 312.211 2.044 0 40 DEAB O=C(O)[C@@H]1CCCN(Cc2nc(-c3ccc(F)cc3)no2)C1 70458310 HDCQJYGJEUIPQF-LLVKDONJSA-N 305.309 2.172 0 40 DEAB Cc1cc(S(=O)(=O)NC2CCCC2)cc2c1NC(=O)C2(C)C 71195993 FCVLSSWIKDXXAQ-UHFFFAOYSA-N 322.430 2.446 0 40 DEAB Cc1ccc([C@H]2C[C@@H]2NC(=O)N2CCC(C(N)=O)CC2)cc1C 71837324 CRFGQXFKJRRSCP-CVEARBPZSA-N 315.417 2.066 0 40 DEAB Cc1cc(C[S@@](=O)[C@H](C)C(=O)N(C)c2ccccc2)on1 71859064 GERHUIVXQHVOFN-GTJPDFRWSA-N 306.387 2.283 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)CCn1cccn1 71897631 NMYQXSIGSWLIME-CABCVRRESA-N 308.426 2.120 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NCc1ccc(F)c(C)c1 72276864 CPQAFDJZYCZBHR-NWDGAFQWSA-N 309.385 2.237 0 40 DEAB Cc1nccn1-c1ccc(CNC(=O)c2ncccn2)cc1F 72289320 AKSHXUAXYFYQHK-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CC[C@H](C)c1cc(C(=O)N[C@@H]2CCc3nc(C)cn3C2)on1 72295320 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CNC[C@H]1CCN(C(=O)c2cccc(Br)c2C)C1 88442011 ZNYDEPCRUCPYHF-LLVKDONJSA-N 311.223 2.439 0 40 DEAB NC(=O)[C@@H]1CCC[C@H]1Nc1nccc(OCc2ccccc2)n1 89601157 DQTLCEHGFHYVMD-ZIAGYGMSSA-N 312.373 2.122 0 40 DEAB C[C@H]1[C@H](C(=O)O)CCN1C(=O)c1ccc(Br)cc1 92917843 QLAZGSOAICPVJU-GZMMTYOYSA-N 312.163 2.384 0 40 DEAB C[C@H](C[C@@H](O)c1ccco1)NS(=O)(=O)Cc1ccccc1 95459914 RPDZCTJPLDCGDH-TZMCWYRMSA-N 309.387 2.211 0 40 DEAB CC(C)(Nc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCC(=O)O 95970554 POYYCQKHWGAZDL-UHFFFAOYSA-N 323.349 2.156 0 40 DEAB Cc1cnc(NC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)s1 95980142 GYEXECWVOKNUFW-LLVKDONJSA-N 321.406 2.397 0 40 DEAB Cc1ccccc1[C@H](NCC(=O)N1CCNC1=O)C(C)(C)C 95985505 RXVPCNLDMLTRIY-HNNXBMFYSA-N 303.406 2.224 0 40 DEAB O=S(=O)(Nc1cccnc1Nc1ccccc1)c1c[nH]cn1 96001673 KFQSSUWJZJPKRZ-UHFFFAOYSA-N 315.358 2.349 0 40 DEAB CCn1cnnc1[C@H]1CCCN(C(=O)Nc2ccnc(C)c2)C1 96008010 NPAPLKXXEDBCOY-ZDUSSCGKSA-N 314.393 2.413 0 40 DEAB Cc1ccc(N2CCC3(CC2)CCN(c2ncccn2)CC3)nn1 96047354 BRKWZPUTHILPFP-UHFFFAOYSA-N 324.432 2.462 0 40 DEAB COCCN1C(=O)CC[C@@H]2[C@H]1CCN2Cc1ccc(F)cc1 96056491 MAERRVCYJHYXOL-HZPDHXFCSA-N 306.381 2.037 0 40 DEAB c1ccc(CN2CCOC[C@]3(CCN(c4ccccn4)C3)C2)nc1 96062474 PGBYEVAWZHANCO-LJQANCHMSA-N 324.428 2.206 0 40 DEAB Cn1cccc1C(=O)N1CCO[C@@H]2C[C@@H](COCC3CC3)C[C@@H]21 96082794 TYPPIKXLJSXIRH-BHYGNILZSA-N 318.417 2.071 0 40 DEAB CO[C@@H]1CCN(C(=O)c2ncccn2)C[C@@H]1Cc1ccccc1 96110196 VPOPJDIDKFBZHI-JKSUJKDBSA-N 311.385 2.196 0 40 DEAB COC[C@@]12CCO[C@@H]1CCN(C(=O)Cc1cccc(F)c1)C2 96110321 RBYUMSCPZFNISN-WBVHZDCISA-N 307.365 2.022 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1 96192069 FOPHVFZFFCPPJJ-GFCCVEGCSA-N 300.358 2.374 0 40 DEAB CC(=O)N1CCCC[C@]12CCCN(C(=O)c1ccccn1)C2 96217605 HLBTYBPVTOEHFZ-QGZVFWFLSA-N 301.390 2.089 0 40 DEAB Cc1cncc(C(=O)N2CC[C@@H](OCC3CC3)[C@H]3OCC[C@@H]32)c1 96219204 FZZTTZYRTFEJPY-BBWFWOEESA-N 316.401 2.189 0 40 DEAB COc1nn(C)c2c1CCCN(C(=O)c1cc(C)oc1C)C2 96254459 HOHCJFRJVNNZKZ-UHFFFAOYSA-N 303.362 2.227 0 40 DEAB C[C@@H](OC(=O)c1cc(N2CCNC2=O)ccc1F)C(F)(F)F 96443065 VXODCNDCQDPUAK-SSDOTTSWSA-N 320.242 2.463 0 40 DEAB CCc1nncn1CCNc1ncc(Br)cc1C 96466634 DJJNSKAEWFOZKA-UHFFFAOYSA-N 310.199 2.419 0 40 DEAB COCc1nn(Cc2nc(-c3cccs3)oc2C)c(=O)o1 96469828 ZEGAAQZIUYLQDH-UHFFFAOYSA-N 307.331 2.056 0 40 DEAB COc1ccc([C@H](C)[C@H](C)NC[C@](C)(O)c2cnn(C)c2)cc1 96478301 RQZPVTXIGZYQMM-GLJUWKHASA-N 317.433 2.418 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C(=O)O)C1 97039463 HHUOOCRNZUXKPQ-OLZOCXBDSA-N 313.357 2.164 0 40 DEAB Cc1oc(-c2cccs2)nc1CNc1nn(C)cc1C(N)=O 97048092 WDOLUCAMGHEJSA-UHFFFAOYSA-N 317.374 2.156 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1ccc(-c2cnco2)cc1 97197942 RIKHXTNCXXOWIS-CQSZACIVSA-N 308.341 2.283 0 40 DEAB Cc1ccccc1OC[C@H](O)CN1CCC(c2cn[nH]c2)CC1 97202796 DMBWHYCSYZCVML-QGZVFWFLSA-N 315.417 2.337 0 40 DEAB C[C@H](N)C(=O)N[C@H]1CC[C@H](N(Cc2ccccc2)C2CC2)CC1 100177575 WWKWDFDVFDZMQR-BHYGNILZSA-N 315.461 2.426 0 40 DEAB CNC(=O)c1nc[nH]c1/N=c1\scc(C)n1-c1ccccc1 100479198 VSTIUEKQSVXAMV-CYVLTUHYSA-N 313.386 2.162 0 40 DEAB O=C(NCCc1ccccc1)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)C1CC1 100752726 USLHVYVSMVDGNJ-ULQDDVLXSA-N 312.413 2.135 0 40 DEAB O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=CC=C[C@@H]2[C@H]2CC[C@@H]21 104146330 ZYBYLKWJSVYPOI-CAOSSQGBSA-N 307.353 2.049 0 40 DEAB CCCCNC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 193058212 RCSFQCYNIBHPRE-UHFFFAOYSA-N 302.418 2.384 0 40 DEAB O=C(CCn1cnc2ccccc2c1=O)N1[C@H]2C=CC[C@H]1CC2 208023347 TWIFQRRLYHPDAE-KBPBESRZSA-N 309.369 2.106 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1C[C@](C)(N)CN1C(=O)OC(C)(C)C 219770945 VPWWDJUNZAPQTG-BONVTDFDSA-N 300.399 2.055 0 40 DEAB CCC(C)(C)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225681307 CDGOZXHBWJGVKA-UHFFFAOYSA-N 314.432 2.067 0 40 DEAB O=C(COc1cccc(F)c1)N1CCC[C@H](c2ccn[nH]2)C1 257210376 BUJAISDEPHUESS-LBPRGKRZSA-N 303.337 2.334 0 40 DEAB Cc1csc(C(=O)N[C@@H]2CCC[C@@H](n3ccnc3)[C@@H]2O)c1 257229512 FYJMKZGMPTXLHR-YRGRVCCFSA-N 305.403 2.138 0 40 DEAB CNC(=O)c1cccc([C@H]2CN(C3CCCC3)CCN2C)c1 257271453 MYKAHYLZBDJYCB-QGZVFWFLSA-N 301.434 2.277 0 40 DEAB O=C(c1c(F)ccc(O)c1F)N1CCN(Cc2ccco2)CC1 289100592 MAUZTBSKUCCPHN-UHFFFAOYSA-N 322.311 2.221 0 40 DEAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1ccc(F)cc1C)C2 306145021 ZVIIFCSOXFKIRM-AWEZNQCLSA-N 320.408 2.317 0 40 DEAB Cc1ncsc1CNC(=O)[C@H]1Oc2ccccc2O[C@H]1C 332149032 RTGRCHBQIFNHCZ-HZMBPMFUSA-N 304.371 2.296 0 40 DEAB O=C(NCc1ccco1)[C@H]1[C@H]2CC[C@@H](C2)N1Cc1nccs1 503846268 JLGJSIXQZWVWPQ-SLEUVZQESA-N 317.414 2.405 0 40 DEAB CCOC[C@H]1CN(C(=O)Nc2sc(CC)nc2C)CCO1 529073349 CVWNZTMKOZJHSK-LLVKDONJSA-N 313.423 2.283 0 40 DEAB Cc1cncc(CNS(=O)(=O)C[C@H]2CCCC2(F)F)c1 579436617 QAMKZMJHDOUCKV-GFCCVEGCSA-N 304.362 2.245 0 40 DEAB CCOCCc1cnc2n1CCN(Cc1cc(C)[nH]n1)[C@H]2C 585097008 DNOCJWKQZUTSBI-ZDUSSCGKSA-N 303.410 2.070 0 40 DEAB O=C(Cc1cccs1)N1CCC(Oc2nncs2)CC1 675008180 GTBJLLBHLXAAFE-UHFFFAOYSA-N 309.416 2.212 0 40 DEAB Cc1cc(N2CCC[C@@H](NC(=O)C3CC3)C2)nc(C2CC2)n1 1058097226 SCVKGRBYSWOJKA-CQSZACIVSA-N 300.406 2.157 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@]3(C[C@H](N4CCCC4)CCO3)C2)o1 1565551138 ATHBJGSWELFLMO-CRAIPNDOSA-N 318.417 2.448 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(F)(F)F)CC[C@@H]21 1772715243 GKVHTCBLYVTKIK-IUCAKERBSA-N 308.300 2.017 0 40 DEAB CC=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnc2ccccc2c1=O 1775996136 WYDYHHYJIWLNID-GASCZTMLSA-N 323.396 2.496 0 40 DEAB Cc1cc(N2CCN(CC(F)(F)F)CC2)n2nc(C)cc2n1 1888853959 HSYZZENYUDVSQN-UHFFFAOYSA-N 313.327 2.030 0 40 DEAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 240230 KYKOAOQGKSCMNK-UONOGXRCSA-N 309.369 2.500 0 40 DEAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)n2N)cc1 244817 ZIBDJMMHSBOWNC-UHFFFAOYSA-N 306.391 2.133 0 40 DEAB CC(=O)Nc1cccc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)c1 47226766 AFEYZNKQSFRSFQ-HZPDHXFCSA-N 301.390 2.002 0 40 DEAB CCONC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 22875415 MTJKRPFNZVBPJL-CMDGGOBGSA-N 302.374 2.006 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)C(C)C 72403018 RGNNPNGGDIWQSC-HNNXBMFYSA-N 315.373 2.015 0 40 DEAB 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O=C(O)CCC(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21 12337489 ZVNYDABXYUYXJX-CYBMUJFWSA-N 319.357 2.040 0 40 DEAB CCC[C@@H]1NC(=O)N(CCOc2ccc(OCC)cc2)C1=O 14736870 PIYOMAGBSIKUIB-AWEZNQCLSA-N 306.362 2.185 0 40 DEAB CCC(=O)NC(=S)Nc1cc(OC)c(C(=O)O)cc1Cl 226354260 JVWYCUSVDMOZOO-UHFFFAOYSA-N 316.766 2.270 0 40 DEAB COCCCNC(=O)c1ccc(-c2ccc(OC)c(N)c2)o1 226350099 NEJXKULXMLCKTD-UHFFFAOYSA-N 304.346 2.304 0 40 DEAB Cc1nnc2ccc(C(=O)Nc3nc4c(s3)CCCC4)nn12 1888870187 UGNMFBJBOVKTEM-UHFFFAOYSA-N 314.374 2.020 0 40 DEAB c1nc(N[C@H]2CCN(C3CCOCC3)C2)c2sccc2n1 1889077157 DZHQSLQPXHRJFK-NSHDSACASA-N 304.419 2.357 0 40 DEAB CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)O)s1 108137205 KTBDJYXXEXGURE-CMPLNLGQSA-N 303.449 2.235 0 40 DEAB Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1Cl 21812566 RMAGZBJNKMCHEU-UHFFFAOYSA-N 314.750 2.476 0 40 DEAB O=C(CC1CCCCC1)OCn1nnc2ccccc2c1=O 428850 JGDYBGKZVWWMSL-UHFFFAOYSA-N 301.346 2.263 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@@H]1C(=O)NCc1ccccc1Cl 585149561 GZWPSWDTJHEMNS-AAEUAGOBSA-N 308.809 2.365 0 40 DEAB COCCCN1Cc2cc(Br)ccc2OCC1=O 65184455 CWJQTCADOQKURI-UHFFFAOYSA-N 314.179 2.207 0 40 DEAB C[C@@H](Sc1ncccc1C(=O)O)C(=O)NCc1ccco1 20303799 OPUVIMGDYNPQLP-SECBINFHSA-N 306.343 2.170 0 40 DEAB CC(=O)c1c[nH]c(C(=O)NC[C@@H](c2cccs2)N(C)C)c1 40487730 VRHJBVANYNNMSN-ZDUSSCGKSA-N 305.403 2.312 0 40 DEAB C[C@H]1CN(C(=O)Cc2csc(-c3ccncc3)n2)C[C@@H](C)O1 31864931 UFQKLACWEFTDLY-TXEJJXNPSA-N 317.414 2.383 0 40 DEAB CCOC(=O)c1c(C)nn2c(=O)cc(CSCC(C)C)[nH]c12 101034011 MVTYDZVJLGHPBV-UHFFFAOYSA-N 323.418 2.397 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)NCc1cccnc1N(C)C 32438027 IDFHIHMFGCOEAT-UHFFFAOYSA-N 323.393 2.074 0 40 DEAB COC(CNc1ncnc2ccc(Br)cc12)OC 32541006 JCDJWKNIECKYQJ-UHFFFAOYSA-N 312.167 2.423 0 40 DEAB COc1ccc(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1F 52796274 DQWNGYLSEPOCLZ-INIZCTEOSA-N 318.304 2.395 0 40 DEAB O=C(NCc1nnc2n1CCCC2)N1CC[C@H]1c1ccccc1 47150512 OXABVMAVVVXQSA-AWEZNQCLSA-N 311.389 2.271 0 40 DEAB Cc1noc(COCC(=O)N2CCCC[C@H]2c2nccs2)n1 72285936 DIHYROILJKLTIS-NSHDSACASA-N 322.390 2.105 0 40 DEAB Cn1nnnc1SCC(=O)Nc1c(Cl)cccc1Cl 480111 UHMJFXCMQPTOIE-UHFFFAOYSA-N 318.189 2.248 0 40 DEAB O=C(COC(=O)c1cccc2cn[nH]c12)NC1CCCCC1 72280773 VMUYFZWQGUSFBN-UHFFFAOYSA-N 301.346 2.169 0 40 DEAB CC(C)NC(=O)CSc1nnc(Cc2ccccc2)n1C 1355722 WHUPXRADJMICBS-UHFFFAOYSA-N 304.419 2.023 0 40 DEAB COc1ccc(-c2csc(CNC(=O)CNC(C)=O)c2)cc1 78974736 WUXGPPUJXVPUNV-UHFFFAOYSA-N 318.398 2.176 0 40 DEAB COc1ccc([C@H]2SCC(=O)N2c2nncs2)c(OC)c1 1611107 XBAWRZXNWZOHJB-GFCCVEGCSA-N 323.399 2.334 0 40 DEAB COc1ccc(F)cc1C[S@](=O)CC(=O)NC1CCCC1 79324504 GPYDCGQJCPTMEQ-OAQYLSRUSA-N 313.394 2.142 0 40 DEAB CC[C@@H](C)OC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 958846 GGVKHLAJLJBABR-SECBINFHSA-N 321.402 2.074 0 40 DEAB Cc1nnc(SCC(=O)Nc2ccccc2)n1-n1cccc1 4518389 DDVVJBPTWIGFNU-UHFFFAOYSA-N 313.386 2.430 0 40 DEAB O=C(CNC(=O)c1ccc2ccccc2n1)NC1CCCCC1 84595097 YHJGLSIJWRRHBV-UHFFFAOYSA-N 311.385 2.414 0 40 DEAB Cc1cc(C)c2nc(SCC(=O)NC(N)=O)cc(C)c2c1 12543035 UPOVUCSUMLOFLA-UHFFFAOYSA-N 303.387 2.447 0 40 DEAB CCOc1cc(C=O)ccc1OCC(=O)Nc1nnc(C)s1 10498499 ZWOXQHMBUDXMES-UHFFFAOYSA-N 321.358 2.075 0 40 DEAB Cn1nc(C(=O)N2CCC[C@@H]2CCc2ccccc2)ccc1=O 55484516 HGMHYIPNISOFHL-OAHLLOKOSA-N 311.385 2.018 0 40 DEAB O=S(=O)([C@H]1CCOC1)N1CCC[C@H]1CCc1ccccc1 108082407 FSBOOGCLIRLBKS-HOTGVXAUSA-N 309.431 2.202 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1ccncc1 100141229 ZKOYZCDSUUEVRG-UKRRQHHQSA-N 319.368 2.335 0 40 DEAB Cc1ccc(NC(=O)COCC(=O)N2CCCCCC2)cc1 12631126 UGYFJDMFEPOTBG-UHFFFAOYSA-N 304.390 2.353 0 40 DEAB O=C(CCCc1nc(-c2ccccc2)no1)NC[C@@H]1CCOC1 48286546 ANNWPURFXSSTPB-ZDUSSCGKSA-N 315.373 2.212 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Br)ccc2F)CCN1 88058939 WHKUMTBLHKMPDK-QMMMGPOBSA-N 301.159 2.022 0 40 DEAB CC[C@@](C)(NC(=O)c1ccn(-c2cccc(F)c2)n1)C(=O)OC 58279074 BBMGMTUZHARGTQ-MRXNPFEDSA-N 319.336 2.083 0 40 DEAB CC(C)=CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 58290471 LMHMZQOKLQLUQB-UHFFFAOYSA-N 303.362 2.061 0 40 DEAB CCC(CC)C(=O)NCC1(N2CCN(C)CC2)CCCCC1 27741798 HRMJKXQBTZASSG-UHFFFAOYSA-N 309.498 2.489 0 40 DEAB CCN(CC)c1ccc(CNC(=O)N2CCSCC2)cn1 44968576 TXHRQRBGHHMDLW-UHFFFAOYSA-N 308.451 2.186 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2ccccn2)n1 44946367 IGMGRUHCFKWZNO-GFCCVEGCSA-N 301.394 2.030 0 40 DEAB O=C(NCc1cccnc1)c1ccn(COc2ccccc2)n1 27971764 NGPLKMBPJLOMAB-UHFFFAOYSA-N 308.341 2.245 0 40 DEAB C[C@H](NC(=O)c1cc(C2CC2)nc2c1cnn2C)c1ccn(C)n1 36616170 JAUVFVPVUVGPCI-JTQLQIEISA-N 324.388 2.070 0 40 DEAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1ccccc1F 101027463 SORHXVZVGAHAFI-CQSZACIVSA-N 300.289 2.353 0 40 DEAB Cc1cc(CN2CCN(C(=O)Cc3ccc(F)cc3)CC2)no1 48345386 BKGZEXLDKMTMQH-UHFFFAOYSA-N 317.364 2.009 0 40 DEAB CCN(CC)C(=O)[C@@H]1C(=O)N(C)[C@]2(C)C[C@@H]1c1ccccc1O2 100632503 RRVBXHVFYDCHHE-XUWXXGDYSA-N 316.401 2.226 0 40 DEAB CN(C)c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 29656993 BHIHAEWODNEMFE-UHFFFAOYSA-N 316.430 2.172 0 40 DEAB COC(=O)c1ccccc1NC(=O)Cc1c(C)nn(C)c1C 12852040 BBEYMQQOQJDNBP-UHFFFAOYSA-N 301.346 2.005 0 40 DEAB O=c1onc(-c2ncccn2)n1Cc1cccc(C(F)(F)F)c1 60330832 DDABGAHIRODELW-UHFFFAOYSA-N 322.246 2.360 0 40 DEAB C[C@@H](NC(=O)CC1CCCC1)C(=O)NN1Cc2ccccc2C1 95444090 LOZGCDXPRPQAEA-CYBMUJFWSA-N 315.417 2.118 0 40 DEAB Cc1c(C(=O)NCc2nccc(N)n2)cccc1-c1ccccn1 95438644 FMZVXNJSBLJSOA-UHFFFAOYSA-N 319.368 2.359 0 40 DEAB COc1ccccc1CNC(=O)c1cccc(S(C)(=O)=O)c1 3614854 IELOCKHBJXURLV-UHFFFAOYSA-N 319.382 2.029 0 40 DEAB COCCN(C)CC(=O)Nc1cc(C)c(Cl)cc1OC 49236855 RPKPODDTBZYBSP-UHFFFAOYSA-N 300.786 2.174 0 40 DEAB CCCCN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O 4040821 QRXFYQWKXHDFCF-INIZCTEOSA-N 311.385 2.064 0 40 DEAB biogenic C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(N)=O 6080708 FLVXVIMXAFGLIK-SCSAIBSYSA-N 324.715 2.367 0 40 DEAB COc1cccc(C(=O)NCC(=O)OCc2cccc(F)c2)c1 6104756 NFIRWPXQKXGUDI-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB CCCCn1nnc(NC(=O)COc2ccc(CC)cc2)n1 6204344 BMDQORGQJDRDHB-UHFFFAOYSA-N 303.366 2.053 0 40 DEAB Cc1csc([C@H]2CN(Cc3ccc(C(N)=O)cc3)CCO2)n1 65463323 SHYRBHPABORXJD-CQSZACIVSA-N 317.414 2.124 0 40 DEAB CCCN(C[C@@H]1COc2ccccc2O1)C(=O)[C@H]1CCOC1 65591054 MSOHSNUHCGIBFG-UONOGXRCSA-N 305.374 2.102 0 40 DEAB Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](C)c1c(C)noc1C 97229922 SFUFPMZZEXTKRK-SNVBAGLBSA-N 318.377 2.224 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Cn1cncn1)c1nc2ccccc2[nH]1 65615216 MQCYNPPUWUZWRP-NHYWBVRUSA-N 312.377 2.058 0 40 DEAB O=C1C[C@@H](NCCc2cccs2)C(=O)N1c1ccccc1 4689936 HNPRGEQPGGYUDV-CQSZACIVSA-N 300.383 2.212 0 40 DEAB COC(=O)CN(Cc1ccccc1C)C(=O)CC[C@@H]1CCCO1 66291939 DEQKNUIVFGKKJK-INIZCTEOSA-N 319.401 2.456 0 40 DEAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)c1ccc(F)c(F)c1 4894143 BEUPCXPQDJPHBK-LURJTMIESA-N 310.329 2.283 0 40 DEAB COc1ccc(-c2noc(C(=O)NCc3cccnc3)n2)cc1 15082077 PAUYDOJSDIIAFQ-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB COc1ccc(CC(=O)NCCOc2ccccc2OC)cc1 6998799 IUQTVHVNMMUJAE-UHFFFAOYSA-N 315.369 2.442 0 40 DEAB O=C1C[C@@]2(CCN=N2)C(=O)N1c1ccc(Br)cc1 4901465 ZNQKQKZCPOIANR-LBPRGKRZSA-N 308.135 2.307 0 40 DEAB Cc1ccc(OC[C@H](O)CN2CCN(C)CC2)c(C(C)(C)C)c1 27531034 NYPWXAGXIWSVQW-MRXNPFEDSA-N 320.477 2.280 0 40 DEAB O=C(Cc1ccc(N2CCCC2=O)cc1)OCc1cccnc1 15581752 HRXNDDQETURDFF-UHFFFAOYSA-N 310.353 2.494 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)no1 67887767 IMIWUFLOQGXCEH-LLVKDONJSA-N 304.350 2.257 0 40 DEAB C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(N)=O 7434204 BKYCQYHRYJYOSQ-VIFPVBQESA-N 308.334 2.064 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cc(F)ccc2NS(C)(=O)=O)C1 67952834 JQVUUGKFXFCZKL-SNVBAGLBSA-N 314.382 2.069 0 40 DEAB CCOc1ccc(NC(=N)Nc2nc3c(c(=O)[nH]2)CCC3)cc1 9422915 QCHOFDFLQNYKLQ-UHFFFAOYSA-N 313.361 2.116 0 40 DEAB CC[C@@H](N[C@@H](C)c1ccc(F)c(OC)c1)C(=O)N1CCOCC1 96489395 VSIYMPVMCRHOTA-SWLSCSKDSA-N 324.396 2.122 0 40 DEAB C[C@H](NCc1nnc(C2CC2)o1)c1cn(-c2ccccc2)nn1 97374658 NSZUHRFEGXWOSS-NSHDSACASA-N 310.361 2.379 0 40 DEAB CN(Cc1nnsc1Cl)C[C@H]1CCCN1c1cccnn1 71859986 AYMHDXAMTCBIMX-SNVBAGLBSA-N 324.841 2.082 0 40 DEAB O=C(OCc1nc2ccccc2o1)c1ccc(-n2cnnn2)cc1 8330710 ZCBDGRXXMUXADN-UHFFFAOYSA-N 321.296 2.161 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)/C=C/c3cnn(C)c3)c2c1 17066412 DUDWRFUZQXNUFS-ZZXKWVIFSA-N 324.384 2.282 0 40 DEAB O=C(CSc1nc2sccc2c(=O)[nH]1)NC1CCCC1 8456517 CLAISFOCCPPCAG-UHFFFAOYSA-N 309.416 2.136 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)N[C@@H]2CCN(c3ccccc3)C2)n1 71882809 GHMDUSMGLTVMLA-HZPDHXFCSA-N 312.417 2.456 0 40 DEAB O=C(c1c[nH]c2ccccc2c1=O)N1CCO[C@H]2CCCC[C@@H]21 71834681 DIBWGRYEPZPOTH-HOTGVXAUSA-N 312.369 2.312 0 40 DEAB CCNC(=O)NC(=O)CN(Cc1ccco1)c1ccccc1 69654425 VKIFXPJNSSPXRU-UHFFFAOYSA-N 301.346 2.132 0 40 DEAB C[C@@H]1CO[C@H](CO)CN1Cc1c[nH]nc1-c1cccc(Cl)c1 92042164 NIBYLIHFMLXFNJ-ABAIWWIYSA-N 321.808 2.312 0 40 DEAB Cc1c(C(=O)N(C)C)sc2[nH]c(-c3ccccn3)nc(=O)c12 8670606 MWIVJVULMMOSSP-UHFFFAOYSA-N 314.370 2.057 0 40 DEAB CCc1nnc2n1C[C@@H](CNCC1=Cc3ccccc3OC1)CC2 69849111 SKHPDYLZBBLIJI-CQSZACIVSA-N 324.428 2.469 0 40 DEAB CCC[C@H](C)CS(=O)(=O)NCCc1cn2c(n1)CCCC2 71904685 GJRNDXZXTGAXTH-ZDUSSCGKSA-N 313.467 2.118 0 40 DEAB CC(C)COC[C@@H](C)Nc1cnn(C)c(=O)c1Br 71903118 RNNFCSQJBPBCIQ-SECBINFHSA-N 318.215 2.016 0 40 DEAB O[C@H](COc1cccc2[nH]ccc12)CN1CC[C@]2(CCOC2)C1 84490445 CTINUQDOEPQRCV-KSSFIOAISA-N 316.401 2.020 0 40 DEAB COc1cc(CC(=O)Nc2ccccn2)cc(OC)c1OC 9835514 KIFGICNAJFTEDZ-UHFFFAOYSA-N 302.330 2.289 0 40 DEAB CCCc1nc2ncnn2c(O)c1NC(=O)c1cccc(C)c1 9879956 XYTGSRNJXLQSCJ-UHFFFAOYSA-N 311.345 2.343 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 95962133 ZAVYWJKILKFIMV-ZIAGYGMSSA-N 321.808 2.465 0 40 DEAB FC(F)(F)c1nsc(N2CCC[C@@H](n3ccnn3)CC2)n1 1548463975 CLOBJXJOCWYRHB-MRVPVSSYSA-N 318.328 2.380 0 40 DEAB CN1CCN(c2ncc(CNc3ccc4c(c3)CCC4)cn2)CC1 89382816 KWTGVFHLKSUKID-UHFFFAOYSA-N 323.444 2.329 0 40 DEAB COc1ccc(CCNCc2c(N)ncnc2OC)c(Cl)c1 89432704 WXTCVQWUBPHSNM-UHFFFAOYSA-N 322.796 2.062 0 40 DEAB Cc1csc(C2(NC(=O)Cn3cncn3)CCCCCC2)n1 75120791 GKKUZUNISPLFQD-UHFFFAOYSA-N 319.434 2.409 0 40 DEAB Cc1ccc(NC(=O)C[C@@H]2CCCO2)c(OCCN(C)C)c1 75143154 FKWAOAJCKDBNNU-AWEZNQCLSA-N 306.406 2.443 0 40 DEAB COc1ccc(CCCN(C)C(=O)c2ccc(C)[nH]c2=O)cc1 75121835 NRLSHWNVLXUGQR-UHFFFAOYSA-N 314.385 2.397 0 40 DEAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)[C@@H](O)c1cc(Cl)cc(Cl)c1 110699368 UHPCLJCMQNOSNQ-XQHKEYJVSA-N 316.184 2.463 0 40 DEAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccncc2)CC1 67800495 AGCGUKHTRDUHFT-UHFFFAOYSA-N 305.378 2.211 0 40 DEAB CCOC(=O)N1CCN(C(=O)Cc2ccc(C)c(C)c2)CC1 26114360 FICXSFAGFDHODG-UHFFFAOYSA-N 304.390 2.147 0 40 DEAB CCN1CCc2ncnc(N3CCNc4ccccc4C3)c2C1 65513583 UKDRPJRVCZWMER-UHFFFAOYSA-N 309.417 2.287 0 40 DEAB Cc1cc(O)c(C2=Nc3ncnn3[C@H](c3ccccc3)C2)c(=O)o1 36621712 SMEXQYLPVKDRTE-ZDUSSCGKSA-N 322.324 2.359 0 40 DEAB O=C(CCCn1cnnn1)N[C@H]1CCCc2c1[nH]c1ccccc21 524733323 HYHOWAYRKQZNQD-HNNXBMFYSA-N 324.388 2.128 0 40 DEAB CCOCCCNS(=O)(=O)c1ccc(OCC)c(C)c1 30289594 AQNKTZBQLJRPPX-UHFFFAOYSA-N 301.408 2.099 0 40 DEAB COC(=O)c1ccoc1CN(CCC(N)=O)c1ccc(F)cc1 77279845 GLJXEMDFYRLAJT-UHFFFAOYSA-N 320.320 2.087 0 40 DEAB C[C@@H](NC(=O)/C=C/c1cncc(F)c1)C(=O)N1CCCC[C@H]1C 79050598 BEWSZUQIQWXTDD-AMRKSYTLSA-N 319.380 2.140 0 40 DEAB CCOc1ccc(C(=O)OC)cc1I 39951757 WOQIEYLCMSOXPO-UHFFFAOYSA-N 306.099 2.477 0 40 DEAB CCc1ncc(NC(=O)N2CCC[C@@]2(CO)CC(C)C)cn1 189796131 NBOHOMOYVDBZJK-INIZCTEOSA-N 306.410 2.444 0 40 DEAB C[C@H]1COC2(CCN(C(=O)c3cc4ccccn4c3)CC2)O1 73855972 SMFZTYSOWQTWJA-ZDUSSCGKSA-N 300.358 2.307 0 40 DEAB O=C(Cc1ccccc1)N1CC[C@H](Nc2ncnc3c2CCC3)C1 1059114479 VZFARRSQALVNEC-HNNXBMFYSA-N 322.412 2.221 0 40 DEAB C[S@](=O)c1nncn1Cc1cc(-c2ccc(Cl)cc2)no1 78995920 UERMIDFEDAGMNX-OAQYLSRUSA-N 322.777 2.372 0 40 DEAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 42646741 ALTPBJFAZGTEDC-UHFFFAOYSA-N 322.405 2.344 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NCc2cccc(C)c2)c1 44388560 IAMVBWJUAYITNH-UHFFFAOYSA-N 319.382 2.260 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C2CC2)[nH]n1 88362405 CXXWSPCPMFJTKT-NEPJUHHUSA-N 305.378 2.139 0 40 DEAB CC[C@H]1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574884631 UMNQWYZCGQHDNV-STQMWFEESA-N 304.390 2.121 0 40 DEAB CSc1ccccc1C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 194365474 VMUFPEKFAITYPJ-CHWSQXEVSA-N 304.415 2.292 0 40 DEAB Cc1nn(-c2ccccc2)cc1NC(=O)N1CC[C@H]([C@H](C)O)C1 96502452 HCMQYESGUMKUPY-KBPBESRZSA-N 314.389 2.415 0 40 DEAB CC(=O)N1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96224675 LJVYTTKDEDGMOX-QGZVFWFLSA-N 304.365 2.187 0 40 DEAB O=C(NC[C@H](CCO)c1ccccc1)[C@@H]1COc2ccccc21 96461763 LZPVKAQZFUVDQH-DOTOQJQBSA-N 311.381 2.445 0 40 DEAB CC(=O)N1CCC2(CCN(C(=O)CCc3ccccc3)CC2)C1 96268659 QDHDBBIXPBEOSI-UHFFFAOYSA-N 314.429 2.480 0 40 DEAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3cnn(C)c3)C[C@@H]12 96058417 KIKDBKSXYHFZDL-MOPGFXCFSA-N 310.445 2.268 0 40 DEAB O=C(CC1CC1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187927 CHBDOCCVUSGRGW-HNNXBMFYSA-N 303.406 2.068 0 40 DEAB CC(C)C(=O)N[C@@H]1CCCN(CCC(=O)c2ccccc2)C1 96495485 VQBLRVCVDZUVHA-MRXNPFEDSA-N 302.418 2.496 0 40 DEAB CCOCc1ncn2c1CN(C(=O)c1cc(C)oc1C)CC2 96260150 PIJZDTWABAOVLS-UHFFFAOYSA-N 303.362 2.285 0 40 DEAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccccn3)O2)n1 96057520 YYJFOJXHMLBHEB-RBSFLKMASA-N 300.362 2.268 0 40 DEAB COC(=O)CN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 96447106 UUZYESCQWVJQGZ-GFCCVEGCSA-N 303.280 2.252 0 40 DEAB 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CCN1CCc2cc(C(=O)N(C)C)c(NCC(C)C)nc2CC1 96260517 CHBDRWHNNNWYDM-UHFFFAOYSA-N 318.465 2.272 0 40 DEAB O=C(C[C@@H]1OCCc2ccccc21)N[C@H]1c2ccccc2C[C@@H]1O 96449494 AYEIGOLBNLWEME-BJLQDIEVSA-N 323.392 2.465 0 40 DEAB Cc1nc(Cn2nc(-c3ccco3)oc2=O)nc2ccccc12 96455699 RRFFXWIXUBZFKU-UHFFFAOYSA-N 308.297 2.396 0 40 DEAB CCN(CC)C[C@@H]1CCN(C(=O)c2cc(C(C)C)[nH]c(=O)c2)C1 96492277 GEMHMJYJUWOAQS-AWEZNQCLSA-N 319.449 2.302 0 40 DEAB O=C(CCN1CCN(c2ccccc2)CC1)Nc1cccnc1 96427100 WLMQXNKCJKIZCO-UHFFFAOYSA-N 310.401 2.232 0 40 DEAB CCOc1ccc(S(=O)(=O)N(CC(F)F)C(C)C)cn1 96500818 NPBHCALJQYBNPL-UHFFFAOYSA-N 308.350 2.145 0 40 DEAB c1cncc(CN2C[C@@H]3COC[C@]3(COCC3CCC3)C2)c1 96205870 NYYYDULJDUSPFK-QZTJIDSGSA-N 302.418 2.347 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)C2(Sc3ccccc3)CCCC2)C1 96408442 HFVGQPWCZGQBHB-CYBMUJFWSA-N 318.442 2.425 0 40 DEAB COCCN1CCC2(CCCN(Cc3ccccn3)C2)CC1 96071789 OLMSGMUHZCDRAR-UHFFFAOYSA-N 303.450 2.406 0 40 DEAB C[C@@H](C(=O)Nc1ccnc2ccnn12)N1CCc2ccccc2C1 96412491 OBOXFFFEVSZEFG-ZDUSSCGKSA-N 321.384 2.115 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCCN(C2CCCCC2)C1 252487618 ZNYBWBYKRPGUCO-DZKIICNBSA-N 309.454 2.260 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1cc2ccccc2[nH]1 257280379 OKPQFWNMMYJMMU-HNNXBMFYSA-N 310.357 2.413 0 40 DEAB Cn1cncc1CN1CCOC[C@H](Cc2cccc(F)c2)C1 257344061 ZVPXUSYOOGNRSL-OAHLLOKOSA-N 303.381 2.250 0 40 DEAB CCCc1nnsc1C(=O)Nc1ccc(-n2ccnc2)nc1 85472638 JUVODGXOAARJFI-UHFFFAOYSA-N 314.374 2.324 0 40 DEAB CCCn1cc(CNCc2cc(C(F)(F)F)nn2C)cn1 256049999 CFDLRWYNQXPLEC-UHFFFAOYSA-N 301.316 2.335 0 40 DEAB Cc1nccnc1CC[C@@H]1COCCN1C(=O)c1ccsc1 257251345 JQJMTJZAXLUXIA-CQSZACIVSA-N 317.414 2.320 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)Cc2c(C)nc3ccccn23)C1 257246947 IWRPTDAAJLMOHK-AWEZNQCLSA-N 323.400 2.233 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)O)c1ccc(OC(F)(F)F)cc1 263574782 NYOSVYHEBBQKLJ-WHGOUJPWSA-N 317.263 2.483 0 40 DEAB Clc1ccc2ncc(-c3cccc([C@H]4CNCCO4)n3)n2n1 585262855 MFFIOXYKTHVTKY-CYBMUJFWSA-N 315.764 2.106 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(O)cc1 58418356 SDPYRFVGWNCGPL-LLVKDONJSA-N 308.378 2.264 0 40 DEAB CC(=O)Nc1ccc(O)c(C(=O)NCCc2ccc(O)cc2)c1 55319533 ZJVFKMZQHKBNDB-UHFFFAOYSA-N 314.341 2.029 0 40 DEAB Cc1nc(-c2ccc(OCC(=O)N3CCCCC3)cc2)no1 40464723 VALRBOYHUQOXHC-UHFFFAOYSA-N 301.346 2.436 0 40 DEAB Cc1cc(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)[nH]n1 57276388 LLWSLYMDHYOBLW-LBPRGKRZSA-N 302.353 2.114 0 40 DEAB O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCCO2 60948701 BFUFIGCOXXXFQB-UHFFFAOYSA-N 312.372 2.105 0 40 DEAB Cc1cccc(CN(CCn2cncn2)Cc2cccc(C)n2)n1 85904834 HZXVDXISCSLJLZ-UHFFFAOYSA-N 322.416 2.387 0 40 DEAB COCCC(=O)N1[C@H](COc2ccc(OC)cc2)[C@H]2CC[C@@H]1C2 12085388 UNQARWIBHTUWRD-JJRVBVJISA-N 319.401 2.490 0 40 DEAB COc1ccc(-n2nnnc2-c2cn[nH]c2C(F)(F)F)cc1 16226408 SKJXAZAORNRJDN-UHFFFAOYSA-N 310.239 2.080 0 40 DEAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCCn3ccnc3)c2C1 19082440 UHJXITGJPHNXLS-LBPRGKRZSA-N 316.405 2.452 0 40 DEAB COc1ccc2c(c1)OC[C@@]1(O)c3ccc(OC)cc3O[C@H]21 14820417 VVPGAJNPGZZNBM-IAGOWNOFSA-N 300.310 2.418 0 40 DEAB endogenous,in-man O=S(=O)(c1ccc2c(Cl)cccc2c1)N1CCNCC1 15043034 JKGVEVXQBGLTDS-UHFFFAOYSA-N 310.806 2.087 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 585149570 HOMRTEMKKKWHIB-MNOVXSKESA-N 320.355 2.196 0 40 DEAB CCOC(=O)Cc1csc(SCC(=O)NC(C)(C)C)n1 5014562 GMYHLEWLNFJLFK-UHFFFAOYSA-N 316.448 2.256 0 40 DEAB CCOc1ccc2oc(C(=O)N(CC(N)=O)C(C)C)c(C)c2c1 6551202 IELZCYCYUFUEMF-UHFFFAOYSA-N 318.373 2.476 0 40 DEAB CCOC(=O)N1CCN(c2ccc(Br)cn2)CC1 12538443 YDDWBNIEKKDQIV-UHFFFAOYSA-N 314.183 2.123 0 40 DEAB Fc1cnc(N2CC[C@H](COc3ccc(C4CC4)nn3)C2)nc1 1888844152 QQJSOCWFPGRYKP-NSHDSACASA-N 315.352 2.188 0 40 DEAB CN(C[C@H]1COCCO1)c1nc2c(F)cc(F)cc2s1 1888866828 AVZRQLXLFIJKFY-VIFPVBQESA-N 300.330 2.426 0 40 DEAB Cc1ccnc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889078551 YEBYNPSMGMXGLE-UHFFFAOYSA-N 318.812 2.334 0 40 DEAB Cc1cnccc1O[C@@H]1CCN(c2nc3cccnc3n2C)C1 1889136263 YKVJFGDEECDGBO-CYBMUJFWSA-N 309.373 2.329 0 40 DEAB CC[C@H]1CCCCN1C(=O)c1cccc(NS(C)(=O)=O)c1 23982749 NDLVERQFYVNCMO-AWEZNQCLSA-N 310.419 2.463 0 40 DEAB CO[C@@H]1CCN(C(=O)[C@H]2CC[C@H](C)CC2)[C@H]1Cc1cnn(C)c1 2055729652 JWKJPBKRYJDDHW-QSPRXWTASA-N 319.449 2.405 0 40 DEAB CSCC[C@@H](O)CNC(=O)c1ccc(Br)cc1 1775967005 BFAIPSPPODKQEQ-LLVKDONJSA-N 318.236 2.293 0 40 DEAB Cc1ccc2ncn(CC(=O)N[C@@H]3CCCC[C@@H]3C)c(=O)c2c1 40117036 DHNKNMDGFFMILB-DZGCQCFKSA-N 313.401 2.400 0 40 DEAB CC[C@](C)(CNC(=O)c1ccc(C(C)=O)s1)N1CCOCC1 31927550 LOMVZBIETQMPPC-MRXNPFEDSA-N 324.446 2.181 0 40 DEAB CCN(CC(=O)Nc1nncs1)Cc1ccc(OC)cc1 53087428 GNBFZFKRLKMKMV-UHFFFAOYSA-N 306.391 2.007 0 40 DEAB CCN1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 22029706 ADIHPZVJMQLHEO-UHFFFAOYSA-N 315.339 2.281 0 40 DEAB CC(=O)N1CCCN(C(=O)c2cc(Cl)c(Cl)n2C)CC1 41787979 CXHYEXXYJWVTEA-UHFFFAOYSA-N 318.204 2.026 0 40 DEAB Cc1nnc2sc(COc3ccc(Cl)cc3)nn2c1=O 23891 ZCSICLBUYIFQJV-UHFFFAOYSA-N 308.750 2.087 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)NCc1ccnc(C)n1 78940279 UEPCACLLDIVYBR-JTQLQIEISA-N 318.352 2.493 0 40 DEAB COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](C)C(=O)O)c1 2559991 DQYVXSMGPCFHSK-VIFPVBQESA-N 311.334 2.138 0 40 DEAB CCn1cc(-c2nn3c(-c4ccncc4)nnc3s2)c(C)n1 61719339 MWNQTICMDOSQIX-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB Cc1nnc(CSc2nnnn2-c2c(C)cccc2C)o1 24091161 MMNWYXACIDHTPX-UHFFFAOYSA-N 302.363 2.263 0 40 DEAB O=Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 7928688 FLNNVDYAXIKLRY-AWEZNQCLSA-N 309.321 2.458 0 40 DEAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cccnc1S 24770516 GOOUQXWMYFQKDB-GFCCVEGCSA-N 308.790 2.487 0 40 DEAB CCOC(=O)c1cc(NC(=O)Cc2c[nH]c3ccccc23)[nH]n1 95992916 UYGKHXBNZKUDJV-UHFFFAOYSA-N 312.329 2.249 0 40 DEAB O=C(NC1CC1)[C@@H](NC[C@H]1CCCn2ccnc21)c1ccccc1 84519369 PKWDMPYYTJIQRQ-WBVHZDCISA-N 324.428 2.370 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 107991197 MCWVISRVZDGKFF-WHOFXGATSA-N 322.430 2.367 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CCCN(C[C@H]3CCOC3)C2)nc1 108095499 CLPBCURHUPKUCS-CABCVRRESA-N 303.406 2.077 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3CC[C@@H]2C3)cc1 101518742 NUTITIYKYJGJGB-FKGLVLAHSA-N 316.357 2.330 0 40 DEAB O=C(OCC(=O)N1CCCC1)c1cnc(Cl)c(Cl)c1 3255276 XOOASAWKRBPDRX-UHFFFAOYSA-N 303.145 2.168 0 40 DEAB O=C(Cc1ccccc1)NCCNC(=O)c1ccc2cc[nH]c2c1 58224587 SEFGJRSOOWHMPZ-UHFFFAOYSA-N 321.380 2.257 0 40 DEAB CCc1ccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)o1 44977697 IMBYBAHEASXSPO-UHFFFAOYSA-N 321.398 2.187 0 40 DEAB C[C@H]1C[C@H](C)CN(S(=O)(=O)CCn2cnc3ccccc32)C1 24700622 UNDZRHDIACBILJ-KBPBESRZSA-N 321.446 2.344 0 40 DEAB COCCCN(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 58412344 KVSVDOUXFVJXPL-UHFFFAOYSA-N 307.375 2.106 0 40 DEAB O=c1n(CCOc2ccccc2Cl)nnn1-c1ccccc1 12793906 WMGRJCIWZBKWMK-UHFFFAOYSA-N 316.748 2.161 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NC[C@H](C)c2ccsc2)C1 110648778 LGXJXSJWDIMNAT-RYUDHWBXSA-N 302.465 2.418 0 40 DEAB CCCCNC(=O)COC(=O)/C=C/c1ccc(OC)c(OC)c1 3377806 AMFFMDUQKWGGEI-VQHVLOKHSA-N 321.373 2.177 0 40 DEAB COc1ccc(-c2cc(C(=O)NCc3ccccn3)n[nH]2)cc1 51315912 ZPNJEAZMIUIYEY-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB CCN1CCN(c2ccc(NC(=O)c3ccccn3)cc2)CC1 11946088 SHZAZOJYDVNCJC-UHFFFAOYSA-N 310.401 2.476 0 40 DEAB COc1ccc(O)c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1 2616094 IVLUHQWKMDBVTN-UHFFFAOYSA-N 313.313 2.004 0 40 DEAB CCOC(=O)c1cccnc1NC[C@H](O)c1ccccc1OC 48314346 BDYGKUCVFRDJHZ-AWEZNQCLSA-N 316.357 2.412 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)Nc1c(F)cccc1F 2650515 MVOWYKLZSUPVQE-UHFFFAOYSA-N 310.256 2.365 0 40 DEAB CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C)(C)C)c1 3552450 VASGHKLLYJECNL-UHFFFAOYSA-N 312.435 2.245 0 40 DEAB C[C@H]1CN(C(=O)COC(=O)c2cccc(Cl)c2)C[C@H](C)O1 3530450 PMMWKSCNGYEXKN-QWRGUYRKSA-N 311.765 2.133 0 40 DEAB Cn1cc(CNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 48908524 UJTYDQMUBWTDAE-UHFFFAOYSA-N 320.201 2.205 0 40 DEAB COCCS(=O)(=O)[C@@H](C)c1nc(-c2ccccc2C)no1 72915204 HWDJSWTTYAHVJN-NSHDSACASA-N 310.375 2.167 0 40 DEAB Cc1ccc(O)c(CN2CCC(OC[C@H]3CCOC3)CC2)n1 96011625 QOMOUCCLBDSIAD-AWEZNQCLSA-N 306.406 2.113 0 40 DEAB Cc1nc2ccc(NCN3C(=O)NC(C)(C)C3=O)cc2s1 4124714 YVYVTKTVPKDNLT-UHFFFAOYSA-N 304.375 2.305 0 40 DEAB CC(C)(C)C(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4285111 LSHCUSUSIWHWEY-SFHVURJKSA-N 314.385 2.385 0 40 DEAB CN(C[C@@H]1CCCN1c1ncnc2c1cnn2C)c1ccccc1 65434024 JPVDVNPWSGILQU-HNNXBMFYSA-N 322.416 2.469 0 40 DEAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c1 95457668 DFNZTCSELZEQPB-WBVHZDCISA-N 318.373 2.349 0 40 DEAB O=C(/C=C/c1ccccc1Cl)OCCOCCn1cncn1 65605345 KWTBTGLLLFINPI-AATRIKPKSA-N 321.764 2.205 0 40 DEAB CC(C)[C@H](C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1)N1CCCC1=O 65622882 YBWMSHSIFADUCB-BFYDXBDKSA-N 318.392 2.445 0 40 DEAB O=C1CN(C(=O)c2cccc3c2OCCO3)c2ccccc2N1 67032136 YDBNEVODLRLDSJ-UHFFFAOYSA-N 310.309 2.057 0 40 DEAB Cn1cc([C@H]2CCCN2CCS(=O)(=O)c2ccccc2)cn1 71797154 OLHFWMQWEHGULR-MRXNPFEDSA-N 319.430 2.031 0 40 DEAB Cc1nc(CN(C)c2cn[nH]c(=O)c2Cl)nc2ccccc12 80977030 MIDYSLSQTRQFLF-UHFFFAOYSA-N 315.764 2.311 0 40 DEAB O=C(Cc1ccc(Cl)cc1Cl)N1CCS(=O)CC1 71847006 FZPAWNTTZRBVOL-UHFFFAOYSA-N 306.214 2.127 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)N2CCC[C@@H](C)C2)nc1 71892337 SHQOXZNWQIMNRM-CYBMUJFWSA-N 304.394 2.160 0 40 DEAB CCOc1ncccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 71875032 ZUONEYRASWKHNO-CYBMUJFWSA-N 304.394 2.182 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCn3ncnc32)o1 71839413 WULQVTIEWNIULX-DGCLKSJQSA-N 300.362 2.364 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCc1ccccn1 83884501 YNUBKBVCDRPCGJ-CABCVRRESA-N 304.390 2.252 0 40 DEAB CCNC(=O)[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 69530366 USFWVMWGEAZAII-INIZCTEOSA-N 312.417 2.220 0 40 DEAB C[C@@H]1CN(CC2CCN(C[C@@H]3CCCCO3)CC2)C[C@@H](C)O1 69508337 JTZHWVMENWCQJE-NUJGCVRESA-N 310.482 2.377 0 40 DEAB C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC(=O)N1 69558986 LYMQPZBPYVDYKJ-SWLSCSKDSA-N 318.417 2.146 0 40 DEAB NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 69813033 IHFNODLCWKIBDS-MRVPVSSYSA-N 301.799 2.065 0 40 DEAB CCCNC(=O)NC(=O)CNc1c(F)cccc1N1CCCC1 69812144 RVFOCUZEOWAJJA-UHFFFAOYSA-N 322.384 2.074 0 40 DEAB O=C([C@H]1CCc2ccccc21)N1CCCN(c2cccnn2)CC1 69947742 NSPUBIZYYTWWQM-KRWDZBQOSA-N 322.412 2.245 0 40 DEAB Cc1nc2ncnn2c(NCc2ccnc(NC3CC3)c2)c1C 95467566 SMGDYIILGXWKMD-UHFFFAOYSA-N 309.377 2.323 0 40 DEAB CCc1ccc(-n2nc(C(=O)N3CC[C@H](N)C3)c3c2CCC3)cc1 97019550 MRCFSIWLVBMAOQ-AWEZNQCLSA-N 324.428 2.097 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)c2nccnc2N)n1 72285173 RZKJFNCBAZQYSZ-JTQLQIEISA-N 303.391 2.191 0 40 DEAB CCN(C)[C@@H](C(=O)N[C@@H]1CCc2nccn2C1)c1ccccc1 72255112 KREBRVUSFIZFIY-NVXWUHKLSA-N 312.417 2.007 0 40 DEAB COc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCc3nccn3C2)cc1 72280625 OEAVRZZYRAMDGA-VNQPRFMTSA-N 311.385 2.126 0 40 DEAB CNC(=O)COc1cccc(OCc2ccc(Cl)cn2)c1 97148496 QZVLTIRRROOYME-UHFFFAOYSA-N 306.749 2.439 0 40 DEAB Cc1ncc(S(=O)(=O)N2c3ccccc3SC[C@H]2C)[nH]1 97103917 IETJTAUYKHKIHF-SECBINFHSA-N 309.416 2.408 0 40 DEAB CCOc1ncnc2c1CN(c1ncnc3sccc13)CC2 97201883 ANNPQWVKWMXPJW-UHFFFAOYSA-N 313.386 2.443 0 40 DEAB CC(C)n1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)O)n1 95969901 KBLMBNVRXTVRHS-OAHLLOKOSA-N 313.357 2.116 0 40 DEAB COc1cccc([C@@H]2CCCN2CC(=O)NC[C@@H]2CCCO2)c1 9903108 ZGKUSDKLEDMLLR-IRXDYDNUSA-N 318.417 2.127 0 40 DEAB CCc1n[nH]c(NC(=O)c2cscn2)c1Br 75092717 UKYFWZZLOXEGQG-UHFFFAOYSA-N 301.169 2.443 0 40 DEAB CCN(C)Cc1cccc(CNC(=O)c2ccc(C)[nH]c2=O)c1 75125518 LOQIQSHNSJROKP-UHFFFAOYSA-N 313.401 2.065 0 40 DEAB O=C(NCCc1nnc2n1CCC2)N1CCC2(CCCCC2)C1 86430338 PHLYWFCRUROKKN-UHFFFAOYSA-N 317.437 2.133 0 40 DEAB C[C@@H]1CC(=O)N(Cc2ccn(-c3c(F)cccc3F)n2)C1=O 89739662 KQZJPBVVGWGGJJ-SECBINFHSA-N 305.284 2.046 0 40 DEAB CC(=O)NCCCSCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 89962655 PEMNGAJAVPZDLS-GJZGRUSLSA-N 312.479 2.427 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2Cc2ccccc2)n(C)n1 25359824 ROGXIGVJPZPKHD-MRXNPFEDSA-N 312.417 2.374 0 40 DEAB CC(C)c1nnc(N2CCN(C(=O)c3cccs3)CC2)o1 62186380 NWQUNKOJABIBMH-UHFFFAOYSA-N 306.391 2.217 0 40 DEAB Cc1ccccc1[C@@H](O)CNC(=O)N[C@@H](C)c1cn(C)nc1C 79028323 WVFOLRYCHAGREI-LRDDRELGSA-N 316.405 2.131 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32639785 KISPSSNMMSTCHC-UONOGXRCSA-N 324.471 2.398 0 40 DEAB Cc1ccc(F)c(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)c1 79094166 APTPEIIPMOHKCX-LLVKDONJSA-N 313.394 2.172 0 40 DEAB CCOC[C@H]1CCCN(C(=O)N[C@H](C)Cn2nc(C)cc2C)C1 73042855 WCPLLFKHNZVVPC-ZBFHGGJFSA-N 322.453 2.347 0 40 DEAB Cc1c(S(=O)(=O)Nc2cccc3cccnc23)cnn1C 35670922 FGZKSWPEBYVBQK-UHFFFAOYSA-N 302.359 2.078 0 40 DEAB CCC(=O)[C@H]1CCCCN1S(=O)(=O)c1sc(C)nc1C 185943631 AGUCCDXUAKELRD-LLVKDONJSA-N 316.448 2.282 0 40 DEAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cn1 72330268 IZYBUCCBRZIYTF-UHFFFAOYSA-N 306.268 2.464 0 40 DEAB CCOC1(C)CN(C(=O)Cc2cc3ccccc3nc2O)C1 562554942 MRVUYCXSGWWGJP-UHFFFAOYSA-N 300.358 2.120 0 40 DEAB CCc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc3c(c2)OCO3)cc1 72228023 FLOAKBIKOPLGQZ-IRXDYDNUSA-N 310.353 2.393 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)NCCN2CCC(C)CC2)c1 45745017 XQEFYFWONWLKIV-UHFFFAOYSA-N 314.426 2.144 0 40 DEAB Cc1ncc(C(=O)N2CCCCC[C@H]2c2ncon2)c(C)n1 195577312 KSHJKFSVGNPYMQ-ZDUSSCGKSA-N 301.350 2.234 0 40 DEAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1cnccn1 77116290 GHPVELCSUUJUFU-KRWDZBQOSA-N 307.353 2.483 0 40 DEAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(CCN2CCOC2=O)C1 96414980 SCJITRNFHMJZGB-CQSZACIVSA-N 320.364 2.173 0 40 DEAB Cn1ccc2c(C(=O)NCc3nnc4ccccn34)cccc21 95480457 PRDNFVMEOWPKPN-UHFFFAOYSA-N 305.341 2.151 0 40 DEAB CC(=O)N1CCC[C@]2(CN(Cc3ccc(C)s3)CCO2)C1 96049106 MVQXIOZBPGOXFZ-INIZCTEOSA-N 308.447 2.270 0 40 DEAB O=C(c1ccccc1)N1C[C@H](OCC2CC2)[C@H]2OCCC[C@H]21 96187064 QTURWZKQFDQJGU-IKGGRYGDSA-N 301.386 2.485 0 40 DEAB Cc1cc(C(=O)NC[C@H](CO)Cc2ccccn2)ccc1F 96454737 FIKDFRCEWLCORX-CYBMUJFWSA-N 302.349 2.110 0 40 DEAB CCS(=O)(=O)C(Cl)(Cl)[C@H](O)c1ccc(OC)cc1 96519684 BOHCFIGPMXWWPK-SNVBAGLBSA-N 313.202 2.295 0 40 DEAB O=C(O)CSC(=S)Nc1ccccc1N1CCOCC1 98086248 UHERRIMNXIKSGV-UHFFFAOYSA-N 312.416 2.038 0 40 DEAB c1cnc(N2CCC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1 96223653 SFTPCRNUUBVWFO-RDJZCZTQSA-N 312.373 2.079 0 40 DEAB C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1nc[nH]n1 95447741 HUWHRBDIAXOZNU-MRVPVSSYSA-N 319.415 2.211 0 40 DEAB Cc1cc(C)cc(NC(=O)CNS(=O)(=O)c2ccccc2)c1 244227277 WDJMFCGRKWAMCL-UHFFFAOYSA-N 318.398 2.220 0 40 DEAB c1cc2n(n1)[C@@H](CCOCC1CC1)CN(C1CCOCC1)C2 253588442 COKHGNUFRPHCGL-KRWDZBQOSA-N 305.422 2.236 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C)C1 53202969 MDUTWFJLOAMLPN-GFCCVEGCSA-N 302.827 2.021 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@H](c3ccnc(O)n3)C2)no1 257277065 NWHOKKQHVUKSMD-NSHDSACASA-N 316.361 2.143 0 40 DEAB O=S(=O)(c1cccnc1)N1CCC[C@@H]1CCc1ccncc1 257332569 XXXBAEACVJIJMK-OAHLLOKOSA-N 317.414 2.263 0 40 DEAB CNC(=O)c1sc2nccnc2c1[C@H]1CCN(CC2CC2)C1 585182358 DWDFGXWYMKEWCT-NSHDSACASA-N 316.430 2.250 0 40 DEAB CN1CC[C@]12CCCN(C(=O)c1ccnc(C(F)(F)F)c1)C2 585102063 PSJQKQBOQHNPNS-AWEZNQCLSA-N 313.323 2.411 0 40 DEAB c1ccc(-n2ccc(CN3CCC[C@H]3Cn3cncn3)n2)cc1 69582993 AJJRLUPCFGWACR-KRWDZBQOSA-N 308.389 2.128 0 40 DEAB Cc1cc2n(CC(=O)Nc3ccccc3C)c(C)cc(=O)n2n1 32901971 UOXWSRPTKFTRGP-UHFFFAOYSA-N 310.357 2.060 0 40 DEAB COc1ccccc1CNC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 53756173 OMLMFAJCQCUIFP-DOTOQJQBSA-N 312.369 2.153 0 40 DEAB CCc1c(C(=O)N2CCC3(CC2)OCCO3)[nH]c(C)c1C(C)=O 52361278 MBUQBCHPRPFLCP-UHFFFAOYSA-N 320.389 2.067 0 40 DEAB CSCC[C@](C)(O)CNC(=O)c1cc2ccccc2oc1=O 75157492 LRSJQWCNQNXEMH-INIZCTEOSA-N 321.398 2.027 0 40 DEAB biogenic COC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@H]2[C@H]2OC(=O)[C@@H](C)[C@H]12 6183821 WBFTYXFEVUSNHU-AUSFTTLPSA-N 320.341 2.181 0 40 DEAB Cc1nc(CN2CCO[C@@](CO)(Cc3ccccc3)C2)cs1 1615190501 DYKTZMWXGALICT-KRWDZBQOSA-N 318.442 2.258 0 40 DEAB CO[C@@H]1[C@H](COC(=O)C2CCCCC2)O[C@@H]2OC(C)(C)O[C@@H]21 16929260 LVMXTLVYAUOSRO-KYEXWDHISA-N 314.378 2.001 0 40 DEAB CC(C)NC(=O)Cn1cnc2c(sc3cccc(F)c32)c1=O 17113468 YYQJHCXWHVUPIV-UHFFFAOYSA-N 319.361 2.275 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)o1 19748468 VHTBBFUMDLAPHO-UHFFFAOYSA-N 319.405 2.156 0 40 DEAB CC(C)n1c([C@@H](C)N[C@H]2CCN(C)C2=O)nc2ccccc21 162368317 SRIAIURXZLIFFG-OCCSQVGLSA-N 300.406 2.499 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(F)cc1Br 169192586 IMVLMFRBXRCINK-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB O=C(/C=C/c1ccccc1)Nc1nc2c(s1)C(=O)NCCC2 211128897 BIROARKCRCRYFO-CMDGGOBGSA-N 313.382 2.471 0 40 DEAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1ccncc1F 618256981 NNVHEUDXTUMAHI-LBPRGKRZSA-N 305.378 2.287 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC(F)F 123226 YZBMVRDDQRKSKO-LLVKDONJSA-N 312.272 2.089 0 40 DEAB COCCN(CCOC)Cc1nnc(-c2ccc(C)cc2)o1 20573465 QLKKLIFZBHFXRP-UHFFFAOYSA-N 305.378 2.140 0 40 DEAB CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)NC1=S 202699 FKVPJURMJZEGHN-XFXZXTDPSA-N 320.414 2.480 0 40 DEAB CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)O 41127918 WQKHDOJQZDOQQC-KRWDZBQOSA-N 316.357 2.096 0 40 DEAB O=C(CCN1CCSC1=O)OCc1nc2ccccc2o1 32824299 WEKRZLYYHNGFST-UHFFFAOYSA-N 306.343 2.430 0 40 DEAB CCc1ccccc1NC(=O)C[C@H](NCc1ccco1)C(=O)O 202807 PIMLOCNBTPIYIJ-HNNXBMFYSA-N 316.357 2.414 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2cccc(OC)c2OC)CC1 496398 NXMYZPUFJZIEQZ-UHFFFAOYSA-N 321.373 2.119 0 40 DEAB COC(=O)[C@@H]1C[C@@H](C(=O)OC)c2nc3cc(C)c(C)cc3nc21 1618402 LRZOWGDVCRTBKL-GHMZBOCLSA-N 314.341 2.164 0 40 DEAB C[C@]1(c2ccc(Br)cc2)OC[C@H](COC(N)=O)O1 2008608 QSUUSSJYBHNMHY-JQWIXIFHSA-N 316.151 2.133 0 40 DEAB Cc1cc(C)c2c3c(sc2n1)C(=O)N1CCC[C@H]1C(=O)N3 8974892 MEJYGWZFPURXED-VIFPVBQESA-N 301.371 2.470 0 40 DEAB CCCNC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 4888696 BTVTXQYOWOCECW-UHFFFAOYSA-N 319.474 2.474 0 40 DEAB NC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 48088553 DBTGCPZFLLODOE-QMMMGPOBSA-N 301.173 2.331 0 40 DEAB CC[C@H]1CN(C(=O)NCCc2nccn2C(F)F)C[C@H](C)O1 84735508 GWQCQWTXBPJVSC-QWRGUYRKSA-N 316.352 2.030 0 40 DEAB Cn1cc([C@H]2CCCN2C[C@@H](O)COCc2ccccc2)cn1 106768209 MWRFLXMSGCLCJH-QZTJIDSGSA-N 315.417 2.135 0 40 DEAB COC(=O)C[C@@H]1CN(c2nc3ccccc3cc2C)CCO1 95426311 QZZMRRSRTKXXIR-CQSZACIVSA-N 300.358 2.312 0 40 DEAB CN(C1CCCCC1)S(=O)(=O)NC[C@H]1Cc2ccccc2O1 26865351 SZAGLMKHJQHXTN-OAHLLOKOSA-N 324.446 2.089 0 40 DEAB O=C(Cc1ccsc1)N1CCCN(C(=O)c2ccoc2)CC1 56234741 GAWIWODKOZDDBG-UHFFFAOYSA-N 318.398 2.258 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1CCC(C(N)=O)CC1 57938051 FBXAURVYAMWBAW-GFCCVEGCSA-N 313.401 2.245 0 40 DEAB Cc1noc(CN2CCN(Cc3ccc(Cl)s3)CC2)n1 48286777 SZNFQICBUMNTDG-UHFFFAOYSA-N 312.826 2.411 0 40 DEAB COc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cn1 10165454 ADVUQFSRIXJVBN-UHFFFAOYSA-N 300.314 2.390 0 40 DEAB O=C(CCn1cccn1)NCC(=O)c1cccc2ccccc12 95446650 VOBJTNQUOHZBOB-UHFFFAOYSA-N 307.353 2.426 0 40 DEAB O=C(NCC(=O)N1CCc2sccc2C1)c1ccc(F)cc1 10886052 RSHFNSWHKFGDSG-UHFFFAOYSA-N 318.373 2.202 0 40 DEAB COCCN1CC[C@@H]2OCCC[C@@]2(COCc2cccnc2)C1 107712322 IDIYRJKYAQCZTE-ROUUACIJSA-N 320.433 2.116 0 40 DEAB CN1C[C@H](C(=O)N[C@H](c2ccccc2)c2cccs2)CC1=O 46165915 IHEHCDSLMDONKS-CZUORRHYSA-N 314.410 2.432 0 40 DEAB CCO[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC3)C1 60066218 VOAWZGPXBIMMND-OAHLLOKOSA-N 309.431 2.365 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1cc(F)ccc1F 2787594 TWVDGEPJTJTNGW-UHFFFAOYSA-N 315.283 2.257 0 40 DEAB CNC(=O)c1ccc(NC(=O)Cc2cccnc2)c(Cl)c1 95447354 CVYZCSLHZGFGDQ-UHFFFAOYSA-N 303.749 2.276 0 40 DEAB CCN1CCC(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 95437669 QIKRVBKPCNWHMZ-OAGGEKHMSA-N 321.465 2.118 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)O)C2)cc1 71405192 XAZIOURHZYSVNS-NWDGAFQWSA-N 305.330 2.303 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)Cn2ccnc2)on1 65409014 IPAMBIFIANFCDM-OLZOCXBDSA-N 303.366 2.115 0 40 DEAB COc1ccc(C)cc1CN1CCc2ncnc(N(C)C)c2C1 65462955 SUNGMILPNOHKAF-UHFFFAOYSA-N 312.417 2.418 0 40 DEAB O[C@@H](CN1CCC(Cn2cccn2)CC1)c1cccc(F)c1 65589545 DBFFHZLHORNKBR-KRWDZBQOSA-N 303.381 2.468 0 40 DEAB CC1CCN(CCCNS(=O)(=O)c2cccc(F)c2)CC1 14188764 IZLPZKNRWNDPIE-UHFFFAOYSA-N 314.426 2.226 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)Nc1nc(C)cs1 6416211 BKTLZYHGISEGNW-UHFFFAOYSA-N 318.401 2.100 0 40 DEAB CC(=O)N(C)CC(=O)NCC1(c2c(F)cccc2F)CCCC1 65625131 DLSXULAWTQDVPG-UHFFFAOYSA-N 324.371 2.371 0 40 DEAB CC(C)c1ccc(S(=O)(=O)NCCCN2CCCC2=O)cc1 5522951 LXODLFOBWGFNFF-UHFFFAOYSA-N 324.446 2.101 0 40 DEAB Cn1c(CN[C@@H]2CCCN(c3ncccn3)C2)nc2ccccc21 66973241 DFYVZXHGZOPYSC-CQSZACIVSA-N 322.416 2.122 0 40 DEAB Cc1ccc([C@@H](CNC(=O)[C@@H](C)n2ccnc2)N(C)C)cc1 67266992 QPVVNSMHCSKXLX-GDBMZVCRSA-N 300.406 2.172 0 40 DEAB O=C1O[C@@H](C(=O)Nc2nc3c(s2)CCC3)Cc2ccccc21 15636910 HRIWPSIOMLQXCY-GFCCVEGCSA-N 314.366 2.352 0 40 DEAB COc1ccc(CN(CCO)C(=O)[C@@H]2CC=CCC2)c(OC)c1 71898223 YBBBDLPBRPYZGU-CQSZACIVSA-N 319.401 2.381 0 40 DEAB CCN(CC)c1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)c(O)c1 90688314 KWXRFOIZXVNTMV-OAHLLOKOSA-N 319.449 2.405 0 40 DEAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)NCC2CCCCC2)no1 71859245 KGXXLVTWHVNTJB-LAJNKCICSA-N 312.435 2.317 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)C1 71821068 INIWKOBQZAMAGR-WBVHZDCISA-N 324.380 2.141 0 40 DEAB CO[C@@H](C)C(=O)NCC1CCN(Cc2ccccc2F)CC1 71885784 MEZVAWDDIIMWOF-ZDUSSCGKSA-N 308.397 2.189 0 40 DEAB CCOc1ccc(CCNC(=O)[C@H]2CCCO2)cc1OCC 7779641 QZYSHBJDGZSMLG-OAHLLOKOSA-N 307.390 2.322 0 40 DEAB Cc1noc([C@H](C)OC(=O)[C@H]2CC(=O)N(C)c3ccccc32)n1 71898402 TYQNYNVHVDHLRG-CABZTGNLSA-N 315.329 2.133 0 40 DEAB COCCN(C)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 71883790 MPODMDMCFPKDDR-UHFFFAOYSA-N 324.381 2.378 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C2CCC2)o1 83895834 ZXSDHARSXFQLHH-LLVKDONJSA-N 313.375 2.019 0 40 DEAB COC[C@@H](C)S(=O)(=O)N[C@H](C)CCc1ccc(F)c(F)c1 71910770 BVRUYEBGLRAHKX-GHMZBOCLSA-N 321.389 2.240 0 40 DEAB C[C@@]1(c2ccco2)NC(=O)N(Cc2nc3ccccc3o2)C1=O 69302143 KQFKGIHUNKUKOF-INIZCTEOSA-N 311.297 2.388 0 40 DEAB CCCC(=O)N1CCC[C@H]1C(=O)NCCc1cc(F)cc(F)c1 69349504 JRNDZLZWEKEGDI-HNNXBMFYSA-N 324.371 2.415 0 40 DEAB Cc1noc([C@H](C)NC(=O)NCC2(N(C)C)CCCCC2)n1 69490105 TUAXHEFIZFWXEL-NSHDSACASA-N 309.414 2.003 0 40 DEAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1nnc(C(F)(F)F)[nH]1 69515556 ZZGWTDUJTUJDMW-DUXPYHPUSA-N 324.262 2.410 0 40 DEAB COC(=O)N1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)CC1 69537826 ZJFRPDRJNGUZIV-JKSUJKDBSA-N 316.401 2.446 0 40 DEAB Cc1cnn(C[C@@H](C)N[C@H](C)c2nc(=O)c3ccccc3[nH]2)c1 69571204 GSNPPOFKOXMBBS-CHWSQXEVSA-N 311.389 2.167 0 40 DEAB Cc1nc(NC(=O)c2ccc(CS(C)(=O)=O)o2)sc1C 69569471 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CC(C)N(C(=O)[C@H](C)Oc1ccc(-n2cnnn2)cc1)C(C)C 15393221 OICRJUXNWJLPCD-ZDUSSCGKSA-N 317.393 2.075 0 40 DEAB CCN(C(=O)C1=NN(C)C(=O)CC1)c1nc2ccccc2s1 23042191 MUQMEEYPLUGYJJ-UHFFFAOYSA-N 316.386 2.257 0 40 DEAB Cc1c(Cl)cccc1NC(=O)C(=O)NCc1ccccn1 4535472 MWKHOUXLBYYUJU-UHFFFAOYSA-N 303.749 2.298 0 40 DEAB Cn1cc(-c2ncccc2CNC(=O)/C=C/c2ccco2)cn1 575619573 WMCMVSNVUMTDND-VOTSOKGWSA-N 308.341 2.405 0 40 DEAB CC[C@H](C(=O)N1CCN(c2cnsn2)CC1)c1ccccc1 585148691 BOBYCDONCJANNU-AWEZNQCLSA-N 316.430 2.381 0 40 DEAB O=C(NCc1cc(C2CC2)ncn1)c1ccc2nsnc2c1 585360724 PYQSBJTWSCQHRS-UHFFFAOYSA-N 311.370 2.289 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)Sc2nnc(N)s2)C1 103412886 NLHPBIWXVFRKQC-YIZRAAEISA-N 300.453 2.105 0 40 DEAB C[C@H]1CN(c2ccc(C(=O)NCc3ccco3)cn2)C[C@@H](C)O1 30017923 KSXLUQDEVLWNJT-BETUJISGSA-N 315.373 2.218 0 40 DEAB CCOC(=O)N1CCC[C@H](C(=O)Nc2nc3c(s2)CCC3)C1 30865612 HVPSPCBZRMGITK-JTQLQIEISA-N 323.418 2.439 0 40 DEAB COc1cccc(CNC2CC2)c1OCC(=O)NC(C)(C)C 20467933 VNXVHWBIFDRFQS-UHFFFAOYSA-N 306.406 2.241 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)CCc2cccs2)C1 40522956 MDYLRHXFOVASLS-LBPRGKRZSA-N 304.419 2.215 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 100920844 PKVQQARSPCWFPN-SLEUVZQESA-N 320.414 2.088 0 40 DEAB Cc1cc(C(=O)/N=c2\ccccn2Cc2ccccc2)n(C)n1 102080120 YIHCYPUUXSIXLO-HTXNQAPBSA-N 306.369 2.319 0 40 DEAB COc1cc(Cl)c(/C=C2\NC(=S)N(C)C2=O)cc1OC 368378 RFYYPMYETFCXKK-WTKPLQERSA-N 312.778 2.045 0 40 DEAB CC(C)(C)c1ccc(/C=C/C(=O)N2CC[C@@H](C(N)=O)C2)cc1 41132078 FFOYMIDRYMRHMQ-VIIAAUOXSA-N 300.402 2.331 0 40 DEAB COc1cc(C(=O)N2C[C@H](C)C(=O)C[C@@H]2C)cc(OC)c1OC 501163 UAYQPVIWWHEFLV-QWRGUYRKSA-N 321.373 2.152 0 40 DEAB CCNC(=S)NNc1ncnc2sc3c(c12)CCCC3 419890 FQGUQAQFDWPYPI-UHFFFAOYSA-N 307.448 2.381 0 40 DEAB CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1 12359101 XXSYJWAGVUPLGD-LLVKDONJSA-N 317.382 2.240 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N(C)CCc2ccccn2)cc1 47214002 YRTFNKXOVUJVTD-UHFFFAOYSA-N 318.398 2.147 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)Cn2nnnc2C(C)(C)C)cc1C 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CC(=O)c1ccc(NC(=O)N(C)Cc2nnc3n2CCC3)cc1 73889433 LFIQPXAVCSHTSK-UHFFFAOYSA-N 313.361 2.091 0 40 DEAB CCn1c(CN(C)c2cn[nH]c(=O)c2Cl)nc2ccccc21 58264215 LEQBWFCUBGFYKD-UHFFFAOYSA-N 317.780 2.429 0 40 DEAB COc1cccc(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1 58309182 OLHYTJTZSJMGLL-IRXDYDNUSA-N 319.401 2.495 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](N(C)CC(F)F)C2=O)c1 78993234 UDBDJAAFIRXEEB-CYBMUJFWSA-N 314.332 2.006 0 40 DEAB CC(C)c1nc(CN2CCN(c3nccs3)[C@@H](C)C2)no1 95351856 RSNPOMDDUBOWEO-NSHDSACASA-N 307.423 2.360 0 40 DEAB Cn1nccc1CNC1CCN(CCc2ccc(F)cc2)CC1 95420175 YNRIVTRGERQVIW-UHFFFAOYSA-N 316.424 2.356 0 40 DEAB CCN1OC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)CC1=O 1549161287 GIUKDGQYBURSIQ-UHFFFAOYSA-N 321.352 2.376 0 40 DEAB Cc1ccc2[nH]c3nc(SCC(=O)NC(C)C)nnc3c2c1 5751012 MFXJENXKQBXACS-UHFFFAOYSA-N 315.402 2.431 0 40 DEAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1 5251556 SFMMRRUWNWKMJA-UHFFFAOYSA-N 311.385 2.316 0 40 DEAB COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cn1 12542688 YXCFMBTYGMALMH-UHFFFAOYSA-N 315.354 2.387 0 40 DEAB CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 12815882 DKIIDRCRYHZLHS-OAHLLOKOSA-N 315.373 2.271 0 40 DEAB Cc1ccccc1NC(=O)C[C@H]1CSc2nccc(=O)n21 14031107 DPSPTODIMQXCME-NSHDSACASA-N 301.371 2.227 0 40 DEAB CCN1CCN(c2nc(O)cc(Cc3ccccc3F)n2)CC1 19528244 YMOADURPBIVGIR-UHFFFAOYSA-N 316.380 2.054 0 40 DEAB COc1c(C)cccc1C(=O)N1CC[C@@H]2NC(=O)CCCC[C@H]21 19713299 LLTBOZBHSNFBGS-LSDHHAIUSA-N 316.401 2.277 0 40 DEAB CCN(C)S(=O)(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 249087567 NMLNXLMCECIFKF-LLVKDONJSA-N 318.389 2.341 0 40 DEAB c1cnc2nc3c(cc2c1)CN(Cc1nnc(C2CC2)o1)CC3 2087040361 YXSLZNRHAYVGIT-UHFFFAOYSA-N 307.357 2.449 0 40 DEAB COc1ccc(Cl)cc1NC(=O)N1CC(n2nccn2)C1 1775967394 PYKSNCCHXBVBPK-UHFFFAOYSA-N 307.741 2.029 0 40 DEAB Cc1nnc(N2CCC[C@H](NC(=O)C3CC3)C2)c2ccccc12 2086854439 BLIGQNXYZRXNGB-AWEZNQCLSA-N 310.401 2.433 0 40 DEAB Cc1csc(C(=O)N[C@@H]2CCc3nc(N(C)C)ncc3C2)c1 618257467 XDLRTMPTQALSNW-GFCCVEGCSA-N 316.430 2.200 0 40 DEAB O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1CC=CCC1 40009631 DIHFHBGTZWQQHQ-INIZCTEOSA-N 306.450 2.494 0 40 DEAB CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)o1)c1ccccc1 40086800 MBNFXURGWWABPK-UHFFFAOYSA-N 322.386 2.197 0 40 DEAB Cc1nn2c(=O)cc(CN3CCCc4ccccc43)nc2s1 40549384 YQFRTROSFLNQAC-UHFFFAOYSA-N 312.398 2.412 0 40 DEAB O=C(O)c1cccc(Cn2c(S)nnc2[C@@H]2CCCO2)c1 20735279 KXRKANZNSMFIDU-NSHDSACASA-N 305.359 2.165 0 40 DEAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N1CCNC(=O)C1 32817806 JDVXYVAQTUYSKK-AWEZNQCLSA-N 324.380 2.079 0 40 DEAB CCCNC(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21 53142577 HFVDJZFKJRCCDW-UHFFFAOYSA-N 321.808 2.327 0 40 DEAB CC(=O)Nc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C)ccc1F 76830509 SQEIIZAPTXPAQR-RNCFNFMXSA-N 314.382 2.251 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2nnc3n2CCCCC3)nc(N)n1 54055987 UEGASLFKIWSSIZ-GFCCVEGCSA-N 313.409 2.027 0 40 DEAB CN1CCN(C(=O)C/C=C/c2ccc(F)cc2)C(C)(C)C1=O 79070957 BQYJRMGNXMYGGI-SNAWJCMRSA-N 304.365 2.308 0 40 DEAB CC(C)[C@@]12C[C@H](COCc3ccccc3)OC1=NC(=O)NC2=O 1563714 NMUBLEHIFUIDAZ-CXAGYDPISA-N 316.357 2.283 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@@H]1c1cccc(F)c1 61718957 JYEDBOYQUWNPAY-AAEUAGOBSA-N 319.361 2.440 0 40 DEAB CC(C)[C@]1(C)NC(=O)N(CC(=O)NC2CCCCCCC2)C1=O 54228013 CNZGBDZOBKPTGU-KRWDZBQOSA-N 323.437 2.182 0 40 DEAB O=C(NC1CC2(CCN(Cc3cccnc3)C2)C1)c1ccncc1 108528849 GIVZUBYXRYOFQJ-UHFFFAOYSA-N 322.412 2.261 0 40 DEAB CCOC(=O)c1cc2cc(C(=O)Nc3nncs3)ccc2[nH]1 24760638 ZCWZOTFAPZJNTG-UHFFFAOYSA-N 316.342 2.448 0 40 DEAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1c1ccccn1 55514937 KKAGDDPUYONUTN-OAHLLOKOSA-N 307.357 2.190 0 40 DEAB O=S(=O)(NCCc1ccccn1)c1ccc2c(c1)CCC2 25427718 YLIRWYMBSKULQL-UHFFFAOYSA-N 302.399 2.091 0 40 DEAB Cc1nccc(CNC(=O)NCCOc2ccc(Cl)cc2)n1 56474845 CVXBDDYFOLXQMS-UHFFFAOYSA-N 320.780 2.317 0 40 DEAB COC(=O)C(=O)CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 100003618 FPFKQOSCTONVNT-UHFFFAOYSA-N 321.329 2.349 0 40 DEAB Cc1ccnc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)c1 20722279 OEFCYZIJKNSRQU-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB CCCCN(CCO)C(=O)Nc1cccc(-c2nnco2)c1 44087317 GKPQHUCUIGYIPF-UHFFFAOYSA-N 304.350 2.363 0 40 DEAB O=C1C[C@H](c2ccccc2)N(C(=O)CC(F)(F)F)CCN1 57348483 MEZSSGDBIHPTHA-LLVKDONJSA-N 300.280 2.029 0 40 DEAB CNC(=O)C1CCN(C(=O)C2(c3cccc(Cl)c3)CC2)CC1 44610985 SCLYJYQYMPJBIV-UHFFFAOYSA-N 320.820 2.356 0 40 DEAB Cn1ncc2c(=O)n(Cc3ccc(SC(F)F)cc3)cnc21 58180208 PIOOKSPEWMCYKK-UHFFFAOYSA-N 322.340 2.493 0 40 DEAB O=C(CN(C[C@@H]1CCOC1)C1CC1)N1CCc2sccc2C1 44937964 OSNXDINXCZDCHE-ZDUSSCGKSA-N 320.458 2.134 0 40 DEAB O=C(Nc1cccc(C(=O)NCc2ccccn2)c1)NC1CC1 48214858 MQKZNQJZWAGZSZ-UHFFFAOYSA-N 310.357 2.296 0 40 DEAB CCN1CC[C@]2(CCCN(C(=O)c3cnccc3C)CC2)C1=O 108530381 DNWPUPGBWQOMDQ-SFHVURJKSA-N 315.417 2.255 0 40 DEAB CCc1nc(CN(C)CC(=O)Nc2ccc(O)cc2)cs1 58310731 YTQUSOBNCPHKSN-UHFFFAOYSA-N 305.403 2.482 0 40 DEAB CCOC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccsc3)[C@@H]2C1 107804299 LWSSQWMXPYPDBK-ZNMIVQPWSA-N 309.431 2.333 0 40 DEAB O=C(NCc1ccc(OC[C@H]2CCCO2)cc1)Nc1cn[nH]c1 45790506 FUBYXOFOVMWTQR-OAHLLOKOSA-N 316.361 2.289 0 40 DEAB O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)Nc1ccc(Cl)cc1 103066219 ZXXGOPZHCDRFBS-BETUJISGSA-N 318.760 2.230 0 40 DEAB COc1cccc(CNC(=O)c2ccc(Cn3cncn3)cc2)c1 11647156 NDPXADBPHFCZBB-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB biogenic COc1ccc(S(=O)(=O)N(C)Cc2csc(C)n2)cc1 48302571 WCAPXCOBGDMLOS-UHFFFAOYSA-N 312.416 2.281 0 40 DEAB CCN1C[C@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1=O 46119769 PRFPZKGNSWQKIY-SECBINFHSA-N 316.279 2.392 0 40 DEAB COC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1C 12850876 YYQBHCDPOPVSIZ-OLZOCXBDSA-N 317.341 2.387 0 40 DEAB CN(Cc1c(F)cccc1Br)Cc1ncnn1C 93177969 PWKOGRRBYBXYBV-UHFFFAOYSA-N 313.174 2.349 0 40 DEAB O=C(N[C@@H](O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 6241746 CUWHMKYZAAHTSB-HNNXBMFYSA-N 307.708 2.410 0 40 DEAB Cc1ccccc1OCCCN1C(=O)N[C@@]2(CCSC2)C1=O 65552694 FERHOUCXYUXGNE-MRXNPFEDSA-N 320.414 2.191 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(c1nc(C)nc3[nH]ccc13)CC2 95409114 XLCBNJOMMBQKLO-ZIAGYGMSSA-N 316.405 2.023 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CC[C@H]2CCCO2)n1 71870169 GJKODDKRUHWOGA-JKSUJKDBSA-N 305.422 2.450 0 40 DEAB O=C(NC1CCSCC1)c1ccc(N2CCOCC2)c(F)c1 71882745 NTZMNXGMPMTVFW-UHFFFAOYSA-N 324.421 2.288 0 40 DEAB O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1cccc(F)c1 71876385 DOKLGYYDYBRYGY-CVEARBPZSA-N 304.369 2.005 0 40 DEAB CCC(CC)CNC(=O)N1CCC(CN2CCOCC2)CC1 71856715 RDXMYVMWMKZJAL-UHFFFAOYSA-N 311.470 2.176 0 40 DEAB O=C(CCCc1cccs1)N1CCN(c2ncccn2)CC1 7983186 RNFUBBGXDQDMBG-UHFFFAOYSA-N 316.430 2.210 0 40 DEAB O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](n2cccn2)C1 69351649 OLKDNSHIBVZEPR-HIFRSBDPSA-N 324.384 2.173 0 40 DEAB COc1cccc(CN2CCO[C@@H](Cn3nc(C)cc3C)C2)c1 69378929 AQBBZTXULYLSPX-GOSISDBHSA-N 315.417 2.410 0 40 DEAB COCCN(C)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 69571276 XTUTVHVOOBYTPG-UHFFFAOYSA-N 321.352 2.311 0 40 DEAB COCCc1noc([C@@H]2CC(c3cc(F)ccc3F)=NO2)n1 83911955 LIVQYRGEMYDOAB-LBPRGKRZSA-N 309.272 2.402 0 40 DEAB Cn1ccnc1COc1ccc(CSc2c[nH]nn2)cc1 97012111 GAQXCDQFYXGBJT-UHFFFAOYSA-N 301.375 2.410 0 40 DEAB CC(C)(CO)NCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 97086545 FDPXLPOSLDNNTG-UHFFFAOYSA-N 315.204 2.435 0 40 DEAB CC1(C)CN(C(=O)c2ccnc3ccccc23)CC[S@@]1=O 88293269 VEJITSORIHGXFO-OAQYLSRUSA-N 302.399 2.218 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)CNC(=O)CCC(C)C)C12CCC2 72295810 MGSMBTCNGWRNGP-KGLIPLIRSA-N 310.438 2.003 0 40 DEAB Cc1ccc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc23)n1C 72292301 XAXNIHJLPIKEIO-UHFFFAOYSA-N 313.332 2.244 0 40 DEAB Cc1cccc(S(=O)(=O)NC[C@H]2CCCN(C)C2)c1Cl 95986742 IOXJQUZWHZUKJO-GFCCVEGCSA-N 316.854 2.269 0 40 DEAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)CC(=O)N(C)C)cc1 72301612 GOOZBFKKILHHKO-CQSZACIVSA-N 317.433 2.478 0 40 DEAB O=C(N[C@H](CO)Cc1ccccc1)c1cc(F)c(F)cc1F 95981001 LDERNNMIJQTSPC-NSHDSACASA-N 309.287 2.437 0 40 DEAB C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)C2(c3ccccc3)CC2)CC1 89920399 WXQACJZUZZUGQJ-GOEBONIOSA-N 312.413 2.045 0 40 DEAB CCOc1ccc(OCC)c(S(=O)(=O)NCC(C)C)c1 36638892 JQOKHIRDSOTSEW-UHFFFAOYSA-N 301.408 2.418 0 40 DEAB CCOc1ccccc1CNC(=O)N1CC[C@@H](C)[C@@H](C(=O)O)C1 566181139 GRYFFQHPCRWNFQ-OCCSQVGLSA-N 320.389 2.338 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)c1cn(C)nc1C 79028325 WVFOLRYCHAGREI-MLGOLLRUSA-N 316.405 2.131 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H](n2ccnc2)C1 69657119 HSHNMHJOQOVWHM-CYBMUJFWSA-N 307.357 2.304 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccccc2C)C1 40160941 WEVGLCGESVXGCS-AWEZNQCLSA-N 305.374 2.176 0 40 DEAB CC[C@H]1c2ccccc2CCN1CCC(=O)N1CCOCC1 79311841 JKPLWDNNLPJTJD-KRWDZBQOSA-N 302.418 2.245 0 40 DEAB CCN1CCO[C@H](C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1 81237825 AFGXNTVBCPVJMD-KRWDZBQOSA-N 317.433 2.254 0 40 DEAB O=C(CCN1CCC[C@@H]1CO)Nc1cccc(C(F)(F)F)c1 83169452 KGLZZIJALGVAEQ-CYBMUJFWSA-N 316.323 2.491 0 40 DEAB CSc1nn(Cc2cccc(C(=O)OC(C)(C)C)c2)c(=O)[nH]1 195502632 RAQGCMLDKGGELZ-UHFFFAOYSA-N 321.402 2.297 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 222991771 DKRXKFDEBZPWOV-UONOGXRCSA-N 303.387 2.294 0 40 DEAB COc1ccc(CN2CC[C@H]3[C@H]2CCN3c2nncs2)cc1 96083019 ABOGRQLPAVDAOH-CABCVRRESA-N 316.430 2.400 0 40 DEAB CN(C)c1ccccc1CN1CCC[C@@H](N2CCCC2=O)C1 96441425 XSQGXSYUILHSRH-MRXNPFEDSA-N 301.434 2.339 0 40 DEAB Cc1ccc(S(=O)(=O)CC(=O)N(C)CC(F)(F)F)cc1C 96451857 BEFXWIIYDRRHDD-UHFFFAOYSA-N 323.336 2.098 0 40 DEAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)nc1 96058052 HYXDJXDRRHOURM-LZLYRXPVSA-N 318.417 2.119 0 40 DEAB CC(C)[C@H](C(=O)Nc1cnn(C)c1)N1Cc2ccccc2C1=O 95478621 AEXVNMXFDOOVIS-OAHLLOKOSA-N 312.373 2.039 0 40 DEAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CC[C@@H](N2CCCC2)C1 249410862 XVYYPEIDDFIVQM-GDBMZVCRSA-N 322.474 2.321 0 40 DEAB Cn1nc(-c2cccnc2)cc1CNC(=O)/C=C/c1ccco1 240122339 VWHKCKCJRRNIFB-UHFFFAOYSA-N 308.341 2.405 0 40 DEAB COc1cc(C)cc(NC(=O)N2CCC[C@@H](C(N)=O)C2)c1C 252492962 MYJPCXITRPCYNY-GFCCVEGCSA-N 305.378 2.041 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 257256723 KMPHMIQHPAPOKI-GFCCVEGCSA-N 313.348 2.444 0 40 DEAB CCCn1ccnc1CN1CCCC[C@H]1c1ccnc(N)n1 257299705 RRDJGQIYDARMKE-AWEZNQCLSA-N 300.410 2.393 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CN(C(=O)CC3CC3)CCO2)n1 257257907 KROZEFGQKFWUGN-MRXNPFEDSA-N 303.406 2.156 0 40 DEAB O=C(O)CC1CCN(C(=O)Cc2ccc3c(c2)CCCO3)CC1 257240080 HRZACQIKFAOFGC-UHFFFAOYSA-N 317.385 2.267 0 40 DEAB Cc1nccnc1CC[C@@H]1COCCN1Cc1nccs1 257254999 KFRSEIDWRRTJMZ-CYBMUJFWSA-N 304.419 2.075 0 40 DEAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3cccc(O)n3)C2)c1 257237822 HIIDEEZVXHBVAD-LBPRGKRZSA-N 312.373 2.162 0 40 DEAB CC(C)N1CCC(c2cnc(N3C(=O)OC[C@@H]3C)cn2)CC1 257336449 YOLVNPPEPPFCAL-LBPRGKRZSA-N 304.394 2.410 0 40 DEAB O=C(c1ccc(O)nn1)N(Cc1ccccc1)c1ccccn1 585176248 AVOSROYKGMGAFX-UHFFFAOYSA-N 306.325 2.424 0 40 DEAB O=C(NCCNC(=O)C1CCCC1)c1ccc(O)c(Cl)c1 58224583 GKXAGTOSWUPZBB-UHFFFAOYSA-N 310.781 2.082 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@@H]2CCc2ccccc2)CC1=O 55487199 KSBHMDRYJKGAGC-DLBZAZTESA-N 314.429 2.479 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CC1 56977394 SBLHNKNUGQYOLQ-CYBMUJFWSA-N 306.793 2.157 0 40 DEAB COCCNCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 92495566 ZHOVYSZKLZYMGO-UHFFFAOYSA-N 300.786 2.302 0 40 DEAB CCSc1nc2cc3c(cc2n1CC(=O)O)OCCCO3 5333278 CSNJKZUKRSVLJU-UHFFFAOYSA-N 308.359 2.394 0 40 DEAB COc1ccc(C(=O)NCC(=O)OCc2ccccc2)cc1F 17638862 KXSSUPQUOKMCIZ-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB CN(Cc1nnc(C2CC2)n1C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 107507536 MORAWUOBIWCEQQ-FPMFFAJLSA-N 302.422 2.477 0 40 DEAB CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2cnn(C)c2)C1 643913792 HIASAXZCVDKRBC-KRWDZBQOSA-N 319.380 2.229 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N(C)C1CCNCC1 36300075 WGEKVUSAFBXFNH-UHFFFAOYSA-N 302.827 2.021 0 40 DEAB O=C(C1CCC1)N1CCN(c2ccc(Br)cn2)CC1 36390541 ATBIKKUYEYTWRB-UHFFFAOYSA-N 324.222 2.293 0 40 DEAB CC1CC(C(=O)N2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)C1 1565552240 WZTBDYBBZNLRBV-ZKTGADCQSA-N 316.401 2.265 0 40 DEAB O=C(Nc1ccon1)c1cccn(Cc2ccc(F)cc2)c1=O 5269060 LZRVAHLIFGSWAV-UHFFFAOYSA-N 313.288 2.276 0 40 DEAB Cn1nc2c(c1NC(=O)c1cc3ccccc3oc1=O)CCC2 16848307 YIGODBDRLJPBCB-UHFFFAOYSA-N 309.325 2.268 0 40 DEAB COc1ccc(CCC(=O)NC[C@@](C)(O)Cc2ccco2)cc1 206614571 OTOYTODNOROEBQ-SFHVURJKSA-N 317.385 2.331 0 40 DEAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 20169317 GRDSFLZGWBWTBZ-CYBMUJFWSA-N 308.397 2.189 0 40 DEAB O=C1COc2cc(NC(=O)c3ccncc3)c(Cl)cc2N1 40510882 KJGPWMWHOHPBQP-UHFFFAOYSA-N 303.705 2.318 0 40 DEAB CC1CCC2(CC1)NC(=O)N(Cc1noc(C(C)(C)C)n1)C2=O 40538683 XVTJNCVTVOHXND-UHFFFAOYSA-N 320.393 2.368 0 40 DEAB CCOC(=O)CSc1nncc2ccc(OC)c(OC)c12 534571 PZBCTBVXCAHUIK-UHFFFAOYSA-N 308.359 2.302 0 40 DEAB Cc1cccc(N2CCN(c3nc4c(c(=O)[nH]3)CCCC4)CC2)c1 41603304 SINFPBMXPFRALK-UHFFFAOYSA-N 324.428 2.284 0 40 DEAB COc1ccc(-c2nnc(CN3CCC(OC)CC3)o2)cc1 53898114 FUUIQTUJUUARDV-UHFFFAOYSA-N 303.362 2.356 0 40 DEAB CC(C)NC(=O)[C@@H](C)N1c2cccc3cccc(c23)S1(=O)=O 582424 KLQRYTZNVDCMLR-LLVKDONJSA-N 318.398 2.262 0 40 DEAB C[S@](=O)CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 78765239 YLZIEVISUXADCY-JOCHJYFZSA-N 313.378 2.006 0 40 DEAB CC1=NN(C(=O)Nc2ccc(Cl)cc2)C(=O)[C@H]2CCC(=O)N12 1624539 SGLDBTHVOVYPMN-LLVKDONJSA-N 320.736 2.039 0 40 DEAB CCNCCNC(=O)c1ccc(Br)cc1Cl 54263048 HERDUMNACACNST-UHFFFAOYSA-N 305.603 2.442 0 40 DEAB CCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 4698629 BMGXRKOBFBIXCR-CYBMUJFWSA-N 306.387 2.051 0 40 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2.084 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 40554302 BSRWZHLYQMQZMB-JKSUJKDBSA-N 323.414 2.221 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2cc(Cl)ccc2F)[nH]n1 51357257 KXKCZLMTMDUZFA-UHFFFAOYSA-N 311.700 2.306 0 40 DEAB O=C(CN1C(=O)CSc2ccccc21)NC(C1CC1)C1CC1 22385425 MEFBMNUQGMPMOI-UHFFFAOYSA-N 316.426 2.430 0 40 DEAB COc1ccc(NC(=O)C[C@@H](C)NCCN2CCCC2)cc1 22790328 LAOHVZJDOZRPER-CQSZACIVSA-N 305.422 2.098 0 40 DEAB O=C(O)C[C@H](c1ccc(OCc2ccccc2)cc1)n1cnnn1 12376532 QVCHQAJCIJKGSP-MRXNPFEDSA-N 324.340 2.316 0 40 DEAB O=C(NCc1cnn(-c2ccccc2)c1)[C@H]1Cc2ccccc2O1 22993477 ZWOSUBDZHYJDCH-GOSISDBHSA-N 319.364 2.492 0 40 DEAB CO[C@@]1(O)C(=O)c2ccccc2O[C@]1(OC)c1ccc(C)cc1 1674561 NTWNRZOZJNNQKF-ZWKOTPCHSA-N 314.337 2.405 0 40 DEAB CN1C(=O)c2ccc(NC(=O)Cc3ccsc3)cc2C1=O 24020445 DCFQTZQRQQZTJU-UHFFFAOYSA-N 300.339 2.155 0 40 DEAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H](c2nccs2)C1 109052831 LKJWNIFQIDPOQW-NSHDSACASA-N 313.386 2.434 0 40 DEAB COC(=O)COc1cccc(NC(=O)/C=C/c2cccnc2)c1 24952702 SYFIEHNEDZYYLI-BQYQJAHWSA-N 312.325 2.285 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)C1 3280959 QGFTYOUFGPBUIS-SECBINFHSA-N 317.794 2.459 0 40 DEAB O=C(NCCc1nc(-c2ccccc2)n[nH]1)c1cc(Cl)c[nH]1 97143674 XKHDDKYWHWYGHU-UHFFFAOYSA-N 315.764 2.426 0 40 DEAB CCOc1ccccc1-c1noc(CN2CCC(O)CC2)n1 10036391 WDGKSFXNSDLATH-UHFFFAOYSA-N 303.362 2.092 0 40 DEAB O=C(c1ccc(Cl)s1)N1CCN([C@@H]2CCC[C@H]2O)CC1 84445181 PZNIHVFTMQRAIE-GHMZBOCLSA-N 314.838 2.073 0 40 DEAB COc1ccccc1CNC(=O)c1ccc(-n2ccnc2)nc1 44896678 XPOFVNILYMMJDM-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C 58282095 HUZBJAXPEVFZSG-AWEZNQCLSA-N 318.446 2.442 0 40 DEAB O=C(NCCc1ccsc1)NCc1nnc2n1CCCCC2 44914725 IQDUTZJGWRHFBH-UHFFFAOYSA-N 319.434 2.108 0 40 DEAB CCc1ccc(C(=O)N2CCN(Cc3c(C)noc3C)CC2)o1 44942833 HPSHJCBCUCEPKW-UHFFFAOYSA-N 317.389 2.405 0 40 DEAB CCOc1cccc2c1OCC(C(=O)NC[C@@H]1CCOC1)=C2 44939947 QCTOXEVIIBZBPH-LBPRGKRZSA-N 303.358 2.014 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(-n2cccn2)cc1)[C@H]1CCCO1 44970533 AXDNWRJULVNETI-CZUORRHYSA-N 314.389 2.239 0 40 DEAB O=c1c2cccnc2ncn1C[C@@H](O)c1ccc(Cl)cc1 12787592 RSVMKXQFZYUNST-CYBMUJFWSA-N 301.733 2.179 0 40 DEAB COc1ncccc1CNS(=O)(=O)c1cccc(Cl)c1 28041452 VUQXNGMAVWPJPY-UHFFFAOYSA-N 312.778 2.222 0 40 DEAB CC1(C)NC(=O)N(CCSc2nc3ccccc3o2)C1=O 28008442 RYQMFPOAYAIABC-UHFFFAOYSA-N 305.359 2.250 0 40 DEAB COc1c(CNC[C@@H]2CCN(c3ccccc3)C2)c(C)nn1C 58421070 MZBDMRNRNVAPQU-HNNXBMFYSA-N 314.433 2.353 0 40 DEAB Cn1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1 58457226 VRGXDQAEMUWOCM-UHFFFAOYSA-N 305.281 2.240 0 40 DEAB Cc1csc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)n1 10554007 ABINOIKTXDAWIV-UHFFFAOYSA-N 314.370 2.259 0 40 DEAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)N(CC4CC4)C3)ccc2o1 36397375 AFGZYCCFFFVIKW-LBPRGKRZSA-N 313.357 2.333 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)CCc1nc(-c2ccsc2)no1 45448573 DBWHSCHEMABEFG-WDEREUQCSA-N 321.402 2.367 0 40 DEAB CC(C)N(C)c1ccc(NC(=O)C2=NN(C)C(=O)CC2)cc1F 46226061 RMWVSACGUGBNCR-UHFFFAOYSA-N 320.368 2.217 0 40 DEAB C[C@]12CCC(=O)N1[C@H](C(=O)Nc1cc(F)ccc1F)CS2 12942929 MCLJQKKWDAFDNI-FZMZJTMJSA-N 312.341 2.357 0 40 DEAB O=C1[C@H]2Cc3ccccc3CN2C(=O)CN1Cc1ccc(F)cc1 4037281 AKALKJDMXCVYDE-QGZVFWFLSA-N 324.355 2.121 0 40 DEAB biogenic O=C(CC1CCCC1)NCc1ccccc1CN1CC[C@@H](O)C1 96006295 HYMHJAMCIVAMMU-GOSISDBHSA-N 316.445 2.450 0 40 DEAB C[C@H](NCCOc1ccccc1F)C(=O)NCc1ccccc1 6587204 ISIXNWJBNPOVEZ-AWEZNQCLSA-N 316.376 2.499 0 40 DEAB CO[C@@]1(C)C[C@@H](N(C)C(=O)NCc2cnn(C)c2C)C1(C)C 179356950 AUQFVYZCZRHZIF-CJNGLKHVSA-N 308.426 2.074 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@H]2CCOc1cccnc1 306127220 FSDCFEBRYUVWTO-FMKPAKJESA-N 316.401 2.124 0 40 DEAB OC[C@@H]1CN(c2cnc3cc(Cl)c(Cl)cc3n2)CCO1 97238213 HCXYJHMVCHOGIH-QMMMGPOBSA-N 314.172 2.134 0 40 DEAB CC(C)CCN1CC2=C(C1=O)[C@@H](c1ccc(F)cc1)NC(=O)N2 9317240 YFMDNHRLYARUPW-OAHLLOKOSA-N 317.364 2.322 0 40 DEAB C[C@H](CNC(=O)c1cccc(Br)c1)n1cncn1 4988365 WTLDDMIYOWBPLV-SECBINFHSA-N 309.167 2.032 0 40 DEAB NC(=O)[C@H](NC(=O)c1ccc(C(F)(F)F)nc1)c1ccccc1 71794490 JCOKLFULNWVCQY-GFCCVEGCSA-N 323.274 2.057 0 40 DEAB C[C@H]1CCCN(C(=O)CCN2C(=O)COc3ccccc32)C1 16642208 GMYTZOGNGPVJOC-ZDUSSCGKSA-N 302.374 2.061 0 40 DEAB C[C@@H]1CCN(C(=O)c2ccc(O)cc2O)C[C@H]1n1ccnc1 97059796 RMIGOHKHFOKPKX-BXUZGUMPSA-N 301.346 2.018 0 40 DEAB COC(=O)N1CC[C@H](NCc2ccn(Cc3ccccc3)c2)C1 97022822 PMJLDGUKDAHCQC-KRWDZBQOSA-N 313.401 2.467 0 40 DEAB CC(C)N1C(=O)CN(CN(C)Cc2ccc(Cl)cc2)C1=O 69453088 QJSLIYLMJSEQJX-UHFFFAOYSA-N 309.797 2.402 0 40 DEAB Cc1ccccc1C1(CNC(=O)CCNC(=O)[C@H]2C[C@H]2C)CC1 69417877 JYIKBBCWFJHWHG-CABCVRRESA-N 314.429 2.305 0 40 DEAB C/C(=C\C(=O)NC[C@H]1CCS(=O)(=O)C1)CCc1ccccc1 69459023 BDMMWQNPGJLDJY-WSYSLRRZSA-N 321.442 2.116 0 40 DEAB CNS(=O)(=O)c1cccc(CNCc2cccc(F)c2)c1 66988933 TWQSSLVDDBQENO-UHFFFAOYSA-N 308.378 2.024 0 40 DEAB CN(CC(=O)N1CCC(N2CCCC2)CC1)Cc1ccccc1 69532928 RQIXUQOLNIBEKO-UHFFFAOYSA-N 315.461 2.205 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cccn2C)CCO1 92018655 YJEYRGZMDRMQBP-ZFWWWQNUSA-N 323.437 2.139 0 40 DEAB Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)S(C)(=O)=O)o1 72291594 ABFXWKLFOFKZNU-OLZOCXBDSA-N 313.419 2.465 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2nn(-c3ccccc3)nc2C)C1 71825562 UGYISYLSCDFBKO-HNNXBMFYSA-N 314.389 2.217 0 40 DEAB COc1ccc(Cl)cc1C[S@](=O)CC(=O)NCC1CC1 71859121 HKMCICPRYCSEOX-HXUWFJFHSA-N 315.822 2.124 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)NCCCC(C)(C)CO 83815651 SLJRMJRSZLKMOR-UHFFFAOYSA-N 321.417 2.355 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccccc1-n1cccn1 95447887 LKPFBJIKSZBRDO-MSOLQXFVSA-N 319.364 2.260 0 40 DEAB CCN(Cc1cccs1)[C@@H]1CCN(c2cnn(C)c2)C1=O 95442078 UFPCVAMCHMZNCN-CQSZACIVSA-N 304.419 2.109 0 40 DEAB COc1cccc(N2CCN(C(=O)c3c[nH]c(C)n3)C[C@@H]2C)c1 95431495 LNKHFBIVBVLYLR-LBPRGKRZSA-N 314.389 2.078 0 40 DEAB COc1ccsc1C(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 95980318 CXDKSNMTXQKEFN-NSHDSACASA-N 321.402 2.310 0 40 DEAB CC(C)c1nnc2n1C[C@@H](NC(=O)NC1CCCCC1)CC2 95998949 DZMRUPZEWCUIDK-ZDUSSCGKSA-N 305.426 2.348 0 40 DEAB COc1cccc(OCC(=O)Nc2cnccc2-n2cccn2)c1 95956695 LEXZERLBTMHPRN-UHFFFAOYSA-N 324.340 2.293 0 40 DEAB CC1CCN(C[C@H](O)CNC(=O)N2[C@@H](C)CCC[C@H]2C)CC1 95984153 ZIOPXOPTKGXAEK-OWCLPIDISA-N 311.470 2.052 0 40 DEAB CCn1cnnc1[C@H]1CCCN(Cc2ccc(C(=O)OC)o2)C1 89310062 MSICICSKFQEBTQ-LBPRGKRZSA-N 318.377 2.057 0 40 DEAB Cc1c(C(=O)N2CCCC[C@@H]2CCO)oc2c1C(=O)CCC2 89568161 LBIVRJAJAXKJQT-GFCCVEGCSA-N 305.374 2.484 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CCO1 75119220 JEJCKUURLMEXOU-CQSZACIVSA-N 312.369 2.293 0 40 DEAB O=C1N[C@@]2(CCOC2)C(=O)N1Cc1cc(Cl)ccc1Cl 89768352 PJMLHKVEZYCODB-CYBMUJFWSA-N 315.156 2.204 0 40 DEAB CC(C)(C)c1n[nH]c([C@H]2CN(CCc3ccccn3)CCO2)n1 76049986 RBQDWMVANWEJLK-CQSZACIVSA-N 315.421 2.113 0 40 DEAB O=S(=O)(c1cccs1)N(CCO)c1ccc(F)cc1F 122255410 NMWBWUZCXULPTQ-UHFFFAOYSA-N 319.354 2.214 0 40 DEAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1CCOCC(=O)O 517382304 VKTINKABZOJSOQ-SMDDNHRTSA-N 313.781 2.203 0 40 DEAB C[C@H]1CN(C(=O)Cc2csc(-c3cccnc3)n2)C[C@H](C)O1 31865059 RCSYPTCFSOBTKW-RYUDHWBXSA-N 317.414 2.383 0 40 DEAB CC[C@@]1(C)CN(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)CCO1 188149882 XPXUYSLMSUIKBW-PXAZEXFGSA-N 322.453 2.178 0 40 DEAB O=C(c1ccccn1)N1CC[C@@H](Oc2cnc3ccccc3n2)C1 675007709 JPJBQYILHCZQDW-CYBMUJFWSA-N 320.352 2.318 0 40 DEAB C[C@H](c1cccnc1)N(C(=O)COC[C@@H]1CCCO1)C1CC1 79092921 HULYSMSXUWPSJN-CJNGLKHVSA-N 304.390 2.329 0 40 DEAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@H]1c1ccc(Cl)cc1 72241325 MDCOSDOFUNDICP-LSDHHAIUSA-N 324.808 2.155 0 40 DEAB COC(=O)c1cc(Br)cc(O[C@H]2CCOC2)c1 575444433 HHOZFMKGGBUPLC-JTQLQIEISA-N 301.136 2.403 0 40 DEAB N[C@H](Cc1ccccn1)C(=O)NCc1ccccc1C(F)(F)F 1580410121 ZHXWLVMPWPNRRB-CQSZACIVSA-N 323.318 2.287 0 40 DEAB CC(C)Oc1cc(C(=O)NCCC(=O)N(C)C)cc2occc12 223296035 BGYLPRQGUQCYNH-UHFFFAOYSA-N 318.373 2.428 0 40 DEAB CC1(C)[C@@H](NC(=O)NCCCOCc2ccco2)[C@H]2CCO[C@@H]21 96421451 DXWXUUNQMUMNBY-ILXRZTDVSA-N 322.405 2.299 0 40 DEAB C[C@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C[C@@H](C)O1 96192517 LTTBCGVBZCGEBS-JKDFXYPNSA-N 320.364 2.345 0 40 DEAB Cc1sc(NC(=O)Cn2ccn3ccnc3c2=O)c(C)c1C 96428913 YVUPJCIXXSIHFQ-UHFFFAOYSA-N 316.386 2.121 0 40 DEAB CC[C@@H]([C@H](O)c1ccc(Br)cc1)S(C)(=O)=O 96519452 LBWIDWAIHTXLTK-WDEREUQCSA-N 307.209 2.306 0 40 DEAB CC[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)N1CCCC1=O 96436477 PDVTYUHBBBWGDY-HNNXBMFYSA-N 315.417 2.409 0 40 DEAB CCN1CC[C@]2(c3ccccc3)CCN(C(=O)N(C)C)C[C@H]12 96083410 ILBFFHGIWYITEZ-FUHWJXTLSA-N 301.434 2.406 0 40 DEAB COC[C@H]1CN(Cc2ccc(F)c(F)c2)Cc2ncn(C)c21 96044785 IDKKNROAWMHTNW-GFCCVEGCSA-N 307.344 2.444 0 40 DEAB Cc1cc(-n2cncn2)ccc1C(=O)OC[C@@H]1CCCCO1 96441920 UATZDIZWCBLOEZ-AWEZNQCLSA-N 301.346 2.302 0 40 DEAB Cn1cc(NC(=O)N2CC[C@H](COCc3ccccc3)C2)cn1 96433869 UZGJPYVPZKFUGD-HNNXBMFYSA-N 314.389 2.491 0 40 DEAB O=C(NCCOc1ncc(Cl)cc1Cl)c1cnsn1 96475287 WCVXZMSBONJHSH-UHFFFAOYSA-N 319.173 2.049 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)CCCn3cccn3)CC[C@@]2(C)C1 257305677 SQZZVNIPDCGVLC-INMHGKMJSA-N 305.422 2.469 0 40 DEAB Cc1cc2nccc(C3CCN(C(=O)c4cnco4)CC3)n2n1 257332933 XZJQUPWIOWEEAC-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB C[C@@]12CCC(=O)N1[C@H](C(=O)N1CCc3sccc3C1)CS2 26708666 GMIXHORLHNUMMI-XHDPSFHLSA-N 322.455 2.087 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccc3c(c2)OCCO3)n1 257256229 KKNWZRQGBBUJNW-AWEZNQCLSA-N 315.373 2.063 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2ccnc(O)n2)C1 257202881 ANUKXNBFUNOCKZ-CYBMUJFWSA-N 315.348 2.270 0 40 DEAB Cn1cncc1[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 1554000132 JHYYJPZUEKXHRD-ZDUSSCGKSA-N 321.384 2.383 0 40 DEAB Cc1ccc([C@H](CNCc2cccc(O)c2)N2CCOCC2)o1 58150811 KQTLXONVAJPAJV-KRWDZBQOSA-N 316.401 2.457 0 40 DEAB COc1ccc2c(c1)CCN2C(=O)c1cnc2[nH]nc(C)c2c1 58905081 XTPMLZIQGRMAOA-UHFFFAOYSA-N 308.341 2.478 0 40 DEAB O=C(Cc1ccc(C(F)(F)F)cc1)NC[C@]1(O)CCSC1 82967702 SWYYQXNFXUJGBQ-CYBMUJFWSA-N 319.348 2.232 0 40 DEAB CN(C(=O)c1ccc2[nH]ccc2c1)[C@H]1CCC[C@H]1S(C)(=O)=O 85295023 DKTRSAXTIQHKMJ-LSDHHAIUSA-N 320.414 2.206 0 40 DEAB CC(=O)Nc1ccc(SCC(=O)Nc2cccc(F)c2)nn1 11738721 FPNXJMAMRPBWKC-UHFFFAOYSA-N 320.349 2.305 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NC[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2C[C@@H]2C)C1 17031402 UTWQKXGNLFEXNL-UGYDUONOSA-N 306.450 2.337 0 40 DEAB COc1cc(F)cc(NC(=O)N(C)[C@H](C)C[S@](C)=O)c1 162836092 GUIDGGUNXUPYLB-GSDQLPOLSA-N 302.371 2.065 0 40 DEAB COCCN1CCC(CNC(=O)Cc2ccc(Cl)cc2)CC1 23127920 KJSTVCBHPVNGRB-UHFFFAOYSA-N 324.852 2.357 0 40 DEAB O=C(NCc1nnc2n1CC[C@H](C(F)(F)F)C2)C1CCCC1 575616852 NONJIPAGAISYOT-JTQLQIEISA-N 316.327 2.209 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1O 225597663 OAGBMTNBYROSIO-CHWSQXEVSA-N 301.383 2.058 0 40 DEAB CCN1CCC2(CCN(C(=O)Cc3ccccc3)CC2)CC1=O 1565543170 BHSHEZITQSJLRX-UHFFFAOYSA-N 314.429 2.480 0 40 DEAB CC(C)(C)c1noc(CCCC(=O)NCCc2ccccn2)n1 31223716 OIGVQULMUFWRDK-UHFFFAOYSA-N 316.405 2.444 0 40 DEAB CC[C@@](C)(CNC(=O)c1c(C)noc1C(C)C)N1CCOCC1 31925170 NZKKSESTYLGDLJ-KRWDZBQOSA-N 323.437 2.337 0 40 DEAB Cc1[nH]c2nc(NCc3ccc(F)cc3)nn2c(=O)c1Cl 101302357 LWPOJQICWGBNAP-UHFFFAOYSA-N 307.716 2.131 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)C1 41130231 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CC(=O)C[C@@H](OC(C)=O)C1=CC[C@@H]2[C@H](C[C@@H]1C)OC(=O)[C@H]2C 4983271 XXKCCBFCBFYRGB-JRWXTEBISA-N 308.374 2.431 0 40 DEAB C[C@@H](CCNC(=O)c1cc2ccccc2cc1O)[S@@](C)=O 95971379 STWBXCQPENPJJC-MQJDWESPSA-N 305.399 2.432 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)N(C)[C@H](C)C2CC2)C[C@@H](C)O1 106098133 SARIVWSUMBTOAW-HZSPNIEDSA-N 311.470 2.314 0 40 DEAB CN(Cc1ccccn1)[C@H]1CCC[C@@H]2CN([C@H]3CCOC3)C[C@@H]21 107197463 WMXBXBUVRYSJLP-BVBHFADKSA-N 315.461 2.403 0 40 DEAB COc1ccc(OCC(=O)N[C@H]2CCCc3c2cnn3C)cc1 24996806 PYRUQGIXEMNWIZ-HNNXBMFYSA-N 315.373 2.001 0 40 DEAB COc1ncccc1NS(=O)(=O)c1ccc(F)c(F)c1F 55618029 MBCGOQITCJPGSQ-UHFFFAOYSA-N 318.276 2.308 0 40 DEAB COc1cccc(-c2cc(C(=O)NCc3ccccn3)n[nH]2)c1 57413818 NLJLYZAACDNFEC-UHFFFAOYSA-N 308.341 2.410 0 40 DEAB Cc1noc([C@@H]2CCCN(C(=O)c3noc4c3CCCC4)C2)n1 56131259 METUFZXVLIGPJI-LLVKDONJSA-N 316.361 2.265 0 40 DEAB C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)O 3215680 CAUYTKZINNWPQI-LBPRGKRZSA-N 315.325 2.447 0 40 DEAB 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320.437 2.355 0 40 DEAB CSc1ncccc1C(=O)NC[C@H]1COc2ccccc2O1 28881171 YYGUYAMHWJNTFW-NSHDSACASA-N 316.382 2.373 0 40 DEAB CCN1CCO[C@@H](CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 2440353 XAJCQUXJPUFQNY-ZDUSSCGKSA-N 310.781 2.224 0 40 DEAB Cc1cc(CCCC(=O)N[C@@H]2CCC[C@H]2C(N)=O)c(C)s1 84614237 IOLYHOLEVAYDMU-ZIAGYGMSSA-N 308.447 2.458 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)N1CCN(C2CCCC2)CC1 45770495 OMXKEMWXZJPTHS-UHFFFAOYSA-N 310.829 2.082 0 40 DEAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1N[C@@H](C)c1nc(C)no1 84736194 LXZYRGKRKJKJQH-SUHUHFCYSA-N 306.410 2.066 0 40 DEAB CNC(=O)NC(=O)[C@H](C)SC1=Nc2ccccc2CS1 8943587 MZYITNNVKIXFJO-QMMMGPOBSA-N 309.416 2.498 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 29917677 HEPKIDCDHILSQC-UHFFFAOYSA-N 306.325 2.224 0 40 DEAB CS(=O)(=O)c1nccn1CCSc1ccc(F)cc1 95988652 JOEXLYNLCDGGQE-UHFFFAOYSA-N 300.380 2.218 0 40 DEAB C[C@H]1CCc2sc(C(=O)N[C@H](C)CN3CCOCC3)cc2C1 46886255 ZDLYQWJIHIWZQR-QWHCGFSZSA-N 322.474 2.323 0 40 DEAB CCOC(=O)CS[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12261250 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CC(C)N(C(=O)[C@H](C)N)C1CCN(Cc2ccccc2)CC1 79404517 LLOLPYONTFPIQM-HNNXBMFYSA-N 303.450 2.235 0 40 DEAB C[C@H](c1ccc(C(F)(F)F)cc1)N1CCN(CCO)CC1 69658935 PDOZYCPQUJFKRH-GFCCVEGCSA-N 302.340 2.376 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)N(C1CCCC1)C1CC1)CS2 71872341 OLVNFRMNVYVUAW-CJNGLKHVSA-N 308.447 2.374 0 40 DEAB O=C(NCC(F)(F)F)[C@H]1CCCN(CCc2ccncc2)C1 75928692 YURJIMCTRRHGFY-ZDUSSCGKSA-N 315.339 2.015 0 40 DEAB CCCCCCNC(=O)c1c(O)n2cc(C)ccc2nc1=O 226821827 SIFLZWLBLPYNAB-UHFFFAOYSA-N 303.362 2.019 0 40 DEAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](CC)C(=O)NC 223458236 SGLSVGZQOPZEBS-HNNXBMFYSA-N 306.406 2.349 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CNc1ccc(F)cc1 226390598 MEJIITADDXGLNA-FGZZBPHYSA-N 312.344 2.248 0 40 DEAB Cc1ccc(-c2nc(CN3C(=O)OC[C@@H]3CO)c(C)o2)cc1 95519913 WXMWJELQJHONBS-ZDUSSCGKSA-N 302.330 2.272 0 40 DEAB C[C@@H](C(=O)NCc1ccc(C(=O)O)cc1)N1Cc2ccccc2C1 580206210 VOYJEOXHPXGZJJ-ZDUSSCGKSA-N 324.380 2.405 0 40 DEAB CCN1CCC[C@H]1CNC(=O)Cn1ccc2c(OC)cccc21 95473923 OQTDZXJYOMNMHT-AWEZNQCLSA-N 315.417 2.250 0 40 DEAB COc1c(CNC(=O)NCc2ccc(C)s2)c(C)nn1C 97377845 HTKNTIMVQVLZEV-UHFFFAOYSA-N 308.407 2.106 0 40 DEAB CCO[C@@H]1CSC2(C1)CN(C(=O)c1cc(C3CC3)on1)C2 248378262 JAJMGDICHVRGDD-NSHDSACASA-N 308.403 2.289 0 40 DEAB O=C1CCC[C@]2(CN(C3CCOCC3)C[C@H]2c2ccccc2)N1 257228832 FVLHZJVBRKBIEN-PKOBYXMFSA-N 314.429 2.304 0 40 DEAB CCn1nc(C(=O)N2CCC[C@H](c3[nH]ncc3C)C2)cc1C 257338828 YZCBQWOFXYXRGN-ZDUSSCGKSA-N 301.394 2.263 0 40 DEAB CCCn1nccc1-c1cncc([C@H]2CCCN(C(C)=O)C2)n1 257213806 CJDYTGVOLBFZFJ-AWEZNQCLSA-N 313.405 2.476 0 40 DEAB C[C@]1(O)CN(Cc2cnccn2)CC[C@@H]1Oc1cccc(F)c1 257312070 UMJJGZWMOMRZGS-IRXDYDNUSA-N 317.364 2.020 0 40 DEAB COC[C@@]1(C(=O)O)CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 263097974 TXINIOSWCGPTGS-RCAFFNEUSA-N 321.348 2.179 0 40 DEAB CCc1ncnc(O[C@@H]2CCN(C(=O)c3ccoc3)C2)c1F 390827549 HNUABJAMBYHING-LLVKDONJSA-N 305.309 2.065 0 40 DEAB c1ccc(OC[C@H]2CN(Cc3ccncc3)Cc3ccnn32)nc1 585111785 HDZOZRDGOZLZLJ-QGZVFWFLSA-N 321.384 2.309 0 40 DEAB C[C@@H](NC(=O)Nc1ccccn1)c1ccc2c(c1)NC(=O)CO2 46975635 FKONNCPZSSPYAS-SNVBAGLBSA-N 312.329 2.295 0 40 DEAB CCNC(=O)N1CC[C@@H](N[C@@H](C)c2sc(CC)nc2C)C1 90409917 GQYDGXYFEXMGRJ-CMPLNLGQSA-N 310.467 2.468 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC[C@H](Cn2cncn2)C1 97048139 AXRAFUMLONGWSW-KFWWJZLASA-N 305.426 2.373 0 40 DEAB Cc1cccc(NC(=O)COc2ccccc2OCCO)c1 97336194 STWUUPNDACKVGR-UHFFFAOYSA-N 301.342 2.384 0 40 DEAB CC(=O)Nc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 16321572 FZKZRTHCADANCP-RYUDHWBXSA-N 302.330 2.251 0 40 DEAB COc1cc(/C=C2/NC(=O)NC2=O)ccc1OCCC(C)C 5380468 XNKGCKMJBBISQE-XYOKQWHBSA-N 304.346 2.300 0 40 DEAB Cc1cccc(N2CCC(C(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)n1 157043171 WYLDCIUFSSNIEW-GJZGRUSLSA-N 317.433 2.242 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2cnn(C)c2)C1 643913793 HIASAXZCVDKRBC-QGZVFWFLSA-N 319.380 2.229 0 40 DEAB CCOC(=O)[C@@H](CC)Sc1ccc(NC(=O)C2CC2)nn1 11738043 DMNABCPCUSVFAT-SNVBAGLBSA-N 309.391 2.259 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)OCC2CCCCC2)c1 6028614 SSIRCCLQTCAAPR-UHFFFAOYSA-N 311.403 2.332 0 40 DEAB Cc1cccc2nc(C(=O)NC[C@H](c3ccco3)N(C)C)cn12 41903371 MJOAVVPPKTZAAV-CQSZACIVSA-N 312.373 2.268 0 40 DEAB CCO[C@]1(C(F)(F)F)NC(=O)N(c2cccc(F)c2)C1=O 4653808 OSYRWLICMNIDAC-LLVKDONJSA-N 306.215 2.177 0 40 DEAB CCC(CC)CN[C@H]1CCc2onc(CN3CC[C@@H](O)C3)c2C1 2055732421 KNSDMXHSTCBRIJ-LSDHHAIUSA-N 321.465 2.124 0 40 DEAB COc1ccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)cc1 20488703 BGXGVQBJDTYSJI-UHFFFAOYSA-N 322.364 2.115 0 40 DEAB Cn1cc(-c2ccc(CNC(=O)Cc3ccsc3)cn2)cn1 575615485 FLVZOZQYFUUMNF-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB O=C(NC[C@H](O)c1cccs1)c1cc(-c2ccco2)on1 75155979 GEKVAQCGTHVTTL-JTQLQIEISA-N 304.327 2.460 0 40 DEAB COCC(=O)N[C@H](C(=O)N1CCC[C@]2(CC=CCC2)C1)C(C)C 96420839 FQQWILYWVBEPQK-FUHWJXTLSA-N 322.449 2.123 0 40 DEAB NS(=O)(=O)c1ccc(CNc2nc3ccccc3o2)cc1 30558463 QEXJBIARRRSPLL-UHFFFAOYSA-N 303.343 2.087 0 40 DEAB O=C(Cc1csc(-c2ccccn2)n1)NCC(F)(F)F 40473739 OALBLNAPRNAHTA-UHFFFAOYSA-N 301.293 2.426 0 40 DEAB CC[C@@H](C)c1ccccc1OCC(=O)NCc1nncn1C 40512117 MOAXQBZYWVEMLA-GFCCVEGCSA-N 302.378 2.024 0 40 DEAB C[C@H](C(=O)Nc1nccs1)S(=O)(=O)c1ccc(F)cc1 40554123 OXDPSXPBZUJFHE-MRVPVSSYSA-N 314.363 2.083 0 40 DEAB O=C1NCCN1C1CCN(Cc2nc3ccccc3s2)CC1 40555618 HGOQFYNPPLBPMU-UHFFFAOYSA-N 316.430 2.286 0 40 DEAB Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc12 40553873 INUPNIYGZPUKPT-LSDHHAIUSA-N 314.389 2.060 0 40 DEAB Cc1ccccc1OCC(=O)NCc1ccc(-n2cncn2)cc1 32935133 HCBNNVDUMPGZFD-UHFFFAOYSA-N 322.368 2.271 0 40 DEAB CCc1nc2ccccc2n1CC(=O)Nc1nnc(C)s1 22558344 MZQGXNNJYPAIOH-UHFFFAOYSA-N 301.375 2.397 0 40 DEAB Cc1noc(C)c1CNC(=O)c1nc(-c2ccc(F)cc2)no1 12408695 RWJNKBBTXYIZDF-UHFFFAOYSA-N 316.292 2.411 0 40 DEAB COc1cc(CN[C@@H]2CCCc3c2cnn3C)cc2c1OCO2 42229433 LYNWPCJCDGELPE-CYBMUJFWSA-N 315.373 2.325 0 40 DEAB Cc1ccc(CN(C(=O)CN2CCO[C@@H]3CCC[C@@H]32)C2CC2)o1 79354423 TXLJRCWCFMHGPB-DLBZAZTESA-N 318.417 2.332 0 40 DEAB COc1ccc(F)cc1C(=O)NCC(=O)OCc1ccccc1 23447004 PPBWUXYTRDLXLG-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB C[C@H](CN(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)O 42702395 XNBISLFYARGWKU-LLVKDONJSA-N 307.371 2.181 0 40 DEAB COC(=O)c1occc1COC(=O)c1ccc2cn[nH]c2c1 25790945 DBDQZOKIYNYNBX-UHFFFAOYSA-N 300.270 2.300 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCC(=O)N1CCCC1)C2 107313304 MIGVZWUVFLHSTE-DCGLDWPTSA-N 307.438 2.123 0 40 DEAB Cc1cc(C)c2c(CC(=O)NCCN3CCOCC3)coc2c1 27232853 ANAJGFOCLGRMGU-UHFFFAOYSA-N 316.401 2.041 0 40 DEAB C[C@@H](C(=O)NCc1cccs1)N1CCC(c2cc[nH]n2)CC1 58208880 FKQBMAAERAKQGL-LBPRGKRZSA-N 318.446 2.356 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccnc(N3CCCC3)c2)C[C@H](C)O1 44914635 IEHIZFLOKVWMCD-KBPBESRZSA-N 318.421 2.001 0 40 DEAB CC(C)NC(=O)Nc1cccc(C(=O)NO[C@H]2CCCCO2)c1 58330522 TYILEVJFYMWOJP-AWEZNQCLSA-N 321.377 2.405 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 100159446 IVAWDFYOOSCURA-KPLDXPABSA-N 308.381 2.418 0 40 DEAB C[C@@H](CNS(=O)(=O)c1ccccc1)N(C)c1ccccc1 45745493 HQKPWYLKETYSIZ-AWEZNQCLSA-N 304.415 2.490 0 40 DEAB COc1cc(CNC(=O)c2cccc(OC)c2OC)ccn1 29196018 TUAQOJBJYQISIN-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB CC(C)CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 10324572 MIOZLRANOYTEQG-GFCCVEGCSA-N 324.446 2.173 0 40 DEAB COc1ccccc1NC(=O)CSc1nnc2ccccn12 2618245 GTFUEHUEZFWGFB-UHFFFAOYSA-N 314.370 2.469 0 40 DEAB C[C@H](NCCc1cnn(C)c1)c1cccc(N2CCOC2=O)c1 95420635 LIRFIIGGNGCLCO-ZDUSSCGKSA-N 314.389 2.270 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)N2Cc3ccccc3C2)c1 3903612 PMISBRGEZDFBQM-UHFFFAOYSA-N 303.339 2.089 0 40 DEAB Cc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1 4282381 QGJPSKVEPWIBTQ-LCYFTJDESA-N 309.350 2.267 0 40 DEAB CC(=O)c1ccccc1NC(=O)CCNCC1CCOCC1 65396507 BAMIOWUQUXAACJ-UHFFFAOYSA-N 304.390 2.234 0 40 DEAB CCOc1ccc2[nH]c3c(N4CCN(C)CC4)ncnc3c2c1 5215919 HYZSIVASUDZCND-UHFFFAOYSA-N 311.389 2.262 0 40 DEAB Cc1nc(-c2ccccc2)sc1C(=O)NC(C)(C)C(N)=O 65422618 UBCVBULOHIQAOA-UHFFFAOYSA-N 303.387 2.112 0 40 DEAB O=C(CNC(=O)c1cc(-c2cccc(Cl)c2)no1)NC1CC1 65623920 IFGDNVZEQAHMAO-UHFFFAOYSA-N 319.748 2.003 0 40 DEAB Cc1cc(C=O)c(C)n1NC(=O)COc1cccc(N(C)C)c1 408566573 HTBVWOFFYZSMSC-UHFFFAOYSA-N 315.373 2.133 0 40 DEAB Cc1cc(C(=O)N2CCCC[C@H]2C)ccc1NC(=O)NCCO 66967401 PTLKVBCIBIKIKM-CYBMUJFWSA-N 319.405 2.123 0 40 DEAB O=C(NC1CCC(C(=O)O)CC1)C1=Cc2ccccc2OC1 95425225 OIHJKRJZRZMDQN-UHFFFAOYSA-N 301.342 2.222 0 40 DEAB COC(=O)C1(c2ccccc2)CCN(C(=O)NC2CC2)CC1 67012065 CMAUGWQGYOGMIN-UHFFFAOYSA-N 302.374 2.065 0 40 DEAB O=C(CSC1=NCCS1)NC(=O)Nc1ccccc1F 8329291 KGORPGKGORBBCS-UHFFFAOYSA-N 313.379 2.310 0 40 DEAB Cc1noc([C@H](C)N2CCN([C@@H](C)c3cccnc3)CC2)n1 69433487 XSAVRBABSRFSFT-STQMWFEESA-N 301.394 2.213 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(-n2ccnc2)cc1 69493049 BUMYSNXAXMBMSY-UHFFFAOYSA-N 324.432 2.270 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)Nc2cccn(C)c2=O)C12CCCC2 96435173 XCPVJNFHWNXROD-KGLIPLIRSA-N 319.405 2.245 0 40 DEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1ccncc1 17584175 HPXZRVJMYVUWEL-UHFFFAOYSA-N 308.341 2.280 0 40 DEAB CCc1nc(CN[C@H]2CCCN(c3cccnn3)C2)cs1 69737539 ZNBGPMCWMGPQNO-LBPRGKRZSA-N 303.435 2.254 0 40 DEAB C[C@H](O)CN1CCC(CN(C)c2ncnc3ccccc23)CC1 69901434 UMKXJXMFKAFPDI-AWEZNQCLSA-N 314.433 2.159 0 40 DEAB CCOc1ccc(Nc2ccc3nnnn3n2)cc1OCC 8726074 MBMIEAQHQHRNRK-UHFFFAOYSA-N 300.322 2.060 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCO[C@@H]2CCCC[C@H]21 71821220 YEMDEKUBADUQMP-HUUCEWRRSA-N 312.373 2.051 0 40 DEAB NC(=O)CCCNC(=O)Nc1cccnc1Oc1ccccc1 71853385 GFOFJMVSJDBOIM-UHFFFAOYSA-N 314.345 2.261 0 40 DEAB C[C@H](c1nc(C2CC2)no1)N1CCCC[C@@H]1Cn1cncn1 71876405 NMBICOCNXNKKKV-DGCLKSJQSA-N 302.382 2.154 0 40 DEAB CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 98097714 NMLVNSNOQCKODU-OCCSQVGLSA-N 308.447 2.442 0 40 DEAB CN(C)c1cccc(CNC(=O)CN2CCCCCCC2=O)c1 83855369 KCCSAFHPFLNREY-UHFFFAOYSA-N 317.433 2.162 0 40 DEAB O=C(COC[C@@H]1CCCO1)N[C@@H]1CCC[C@H]1Oc1ccccc1 71903225 IYIRXFUJBIMWRG-GVDBMIGSSA-N 319.401 2.298 0 40 DEAB CC[C@H](OC1CCCC1)C(=O)NC[C@@H](O)Cc1ccccc1 71904803 NXGRGEYWIWCYGP-RDJZCZTQSA-N 305.418 2.444 0 40 DEAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccn1 9836092 KYFIDAUDLUWSSW-ZDUSSCGKSA-N 312.373 2.471 0 40 DEAB CC(=O)N[C@@H](CC(=O)Nc1ncccc1O)c1cccs1 96936872 WWOLYUHRDVXYDJ-JTQLQIEISA-N 305.359 2.055 0 40 DEAB CC1(C)OC[C@@H](COC(=O)c2ccc(Br)o2)O1 97035208 IXWQJEWTNARCCZ-SSDOTTSWSA-N 305.124 2.350 0 40 DEAB COc1cccc2[nH]cc(CCNC(=O)N3CCSCC3)c12 97049744 NVZYTCGPCRYJME-UHFFFAOYSA-N 319.430 2.477 0 40 DEAB CC(=O)N1CSC[C@H]1C(=O)Nc1nc2c(C)cccc2s1 72277259 IRDOGCJRGQOCJD-JTQLQIEISA-N 321.427 2.465 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)N2CCC[C@H](C)C2)c1 72274337 PKZRIMCDIMGYIA-ZDUSSCGKSA-N 319.405 2.465 0 40 DEAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)COCC1CC1 72234207 ODZSFPUNELNSOG-LBPRGKRZSA-N 311.813 2.472 0 40 DEAB CN(CCOc1cccc(CC(N)=O)c1)Cc1ccc(F)cc1 97164972 QLGAWXCGROKPQL-UHFFFAOYSA-N 316.376 2.364 0 40 DEAB CC[C@@H](c1ccccc1)N1CCC(C(=O)NCCCO)CC1 72313443 HMRXGLOOYVYGPT-KRWDZBQOSA-N 304.434 2.348 0 40 DEAB O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)C1CCOCC1 87502092 PBITWUUJXYHNQM-LBPRGKRZSA-N 310.344 2.086 0 40 DEAB CN(Cc1nccs1)C(=O)c1ccc2nnc(C(F)F)n2c1 95965881 DEGIBKKVDYTQTJ-UHFFFAOYSA-N 323.328 2.396 0 40 DEAB O=S(=O)(C(F)F)N1CCC(CNC[C@@H]2CC=CCC2)CC1 95973161 MPINJACSSUTOIG-GFCCVEGCSA-N 322.421 2.197 0 40 DEAB Cc1c2c(c(O)c3c1O[C@](C)(CCC(=O)O)CC3)C(=O)OC2 67665241 OFLAUAULXGFGII-INIZCTEOSA-N 306.314 2.320 0 40 DEAB in-vitro COc1ccc(S[C@H](C)C(=O)N2CCOCC2)cc1OC 20106651 AMYRQWDBSXXGFE-LLVKDONJSA-N 311.403 2.043 0 40 DEAB O=C(CCc1ccco1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 519855 JXACSEVZWOADEB-KGLIPLIRSA-N 312.369 2.020 0 40 DEAB biogenic Cc1ccc(-c2nc(C(=O)N3CC(C)(C(N)=O)C3)cs2)cc1 517374104 CQHJREWFRULJIU-UHFFFAOYSA-N 315.398 2.066 0 40 DEAB c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)ccn1 125574302 DBMVOIJMPJIXNI-AWEZNQCLSA-N 300.362 2.448 0 40 DEAB COc1ccc(C2(CN)CCC3(CC2)OCCO3)cc1OC 35630122 XGRNPYRPHNTPJG-UHFFFAOYSA-N 307.390 2.217 0 40 DEAB C[C@@H]1CN(C)C[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)O1 527538936 QDFRSURDMSSGPH-ZWNOBZJWSA-N 316.323 2.041 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)cc1 22279218 KYZVBBPZWNIDAR-LLVKDONJSA-N 319.386 2.080 0 40 DEAB CCN(C[C@@H]1CCCCN1CCO)C(=O)OCc1ccccc1 79411057 LFFVDBXMNPABBO-KRWDZBQOSA-N 320.433 2.492 0 40 DEAB CCCC(=O)Nc1ccc(N2C[C@H](C(=O)OCC)CC2=O)cc1 45953849 RCBFFXAZDSLTIN-GFCCVEGCSA-N 318.373 2.341 0 40 DEAB O=C1O[C@H](N2CCN(Cc3ccccn3)CC2)c2ccccc21 49546332 ZXYARPKIPIVKIK-KRWDZBQOSA-N 309.369 2.068 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)CCOc1cccc(Cl)c1 40090243 IEPXJFCCLCDVSA-LLVKDONJSA-N 312.797 2.140 0 40 DEAB CCOC(=O)C(C(=O)OCC)C(=O)c1cc(F)c(F)cc1F 196438240 WGSSWPHASPIORT-UHFFFAOYSA-N 318.247 2.029 0 40 DEAB CC(C)OCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F 42645959 IYGIJZOMPMXARG-UHFFFAOYSA-N 316.760 2.349 0 40 DEAB COC(=O)[C@@H](C)CN(C(=O)c1n[nH]c2c1CCCCC2)C1CC1 190588712 IFCJJCZISWAIEU-NSHDSACASA-N 319.405 2.092 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1ccc(Cl)cc1C(N)=O 63640216 RCBNNEJHQPLJBM-UHFFFAOYSA-N 312.753 2.268 0 40 DEAB O=C(Nc1cnns1)N1CCO[C@@H](c2ccccc2F)C1 192367223 DZFKAUGDHLJIDD-LLVKDONJSA-N 308.338 2.283 0 40 DEAB C[C@](O)(CNC(=O)CC[C@@H]1CCOC1)c1ccccc1Cl 97379006 JVZVEAXQFMVSHF-WBMJQRKESA-N 311.809 2.480 0 40 DEAB CC[C@@H]1N(C(=O)c2cccc(C)n2)CCC[C@]12CCC(=O)N2C 96052430 DDWJQRBQIPZFGT-YJBOKZPZSA-N 315.417 2.396 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)[C@H]1C[C@@H]1c1ccco1 96446850 ATZTVIKHFCHNNE-KBPBESRZSA-N 305.374 2.433 0 40 DEAB CC(=O)N[C@H](C)C(=O)N(Cc1ccc(O)cc1)Cc1ccco1 96476234 IDKJLUONJGXPJK-GFCCVEGCSA-N 316.357 2.039 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@@H]2CCC(=O)N3c2cnn(C)c2)cc1 96186484 XJASBCVDUUXGRL-ROUUACIJSA-N 324.428 2.498 0 40 DEAB CCN1C[C@H](COC)[C@]2(CCN(Cc3cccc(C)n3)C2)C1 96219362 VDFBRPWJUZCKEE-SJLPKXTDSA-N 303.450 2.180 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)C3CCC3)CCN2C(C)=O)cc1 257241356 HXTWALCIURYQCH-KRWDZBQOSA-N 316.401 2.227 0 40 DEAB COC(=O)c1c[nH]c(S[C@H](C(=O)OC)c2ccsc2)n1 252489315 JOBWXWFAZRIPJV-VIFPVBQESA-N 312.372 2.264 0 40 DEAB CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](C(=O)O)c1ccc(F)cc1 649250250 WQYVZPVIUSAWTD-ZNMIVQPWSA-N 323.364 2.171 0 40 DEAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cnc(O)s1 585142059 NVNARIITGKPYCE-MRVPVSSYSA-N 316.379 2.370 0 40 DEAB CC1(C)NC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O 51259135 FWFZQPGZQGBZOK-SNVBAGLBSA-N 316.279 2.069 0 40 DEAB Cc1ccc(Cl)cc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 20010501 XUNUFJUVFOMCJQ-UHFFFAOYSA-N 314.750 2.476 0 40 DEAB Cc1nnsc1C(=O)N1CCC(c2nnc(C3CC3)o2)CC1 38518772 HKXQPLZLAYNHNG-UHFFFAOYSA-N 319.390 2.127 0 40 DEAB CCc1cccc(C)c1NC(=O)CN1CC[S@@](=O)[C@H](C)[C@@H]1C 75142784 BNGWGYIPVBFIDM-VVYDWRJNSA-N 322.474 2.337 0 40 DEAB O=S(=O)(N[C@H]1CCC[C@H](O)C1)c1ccc2c(c1)CCCC2 75156934 ULWBTGSQUUMYRL-GJZGRUSLSA-N 309.431 2.147 0 40 DEAB COc1ccc([C@H](CO)N(C)C(=O)N[C@@H]2C=CCCC2)cc1 95978909 PCQFVZRBTFDMJN-ZBFHGGJFSA-N 304.390 2.479 0 40 DEAB CCN(Cc1nc(-c2cccs2)oc1C)S(C)(=O)=O 96429031 YYHNXROCDJCTGL-UHFFFAOYSA-N 300.405 2.493 0 40 DEAB CSCC[C@@H](O)CNC(=O)c1cc(Br)cs1 1775967198 HQNYOKWRICQNDO-MRVPVSSYSA-N 324.265 2.354 0 40 DEAB COc1ccccc1[C@@]1(O)CCCN(C(=O)[C@@]2(C)CCCO2)C1 12290440 QYGINBXXTOHLLW-QZTJIDSGSA-N 319.401 2.074 0 40 DEAB O=C(C1CC1)N1CCC(c2nc(O)cc(-c3ccccn3)n2)CC1 13267939 MUCIMDSRYDNWHH-UHFFFAOYSA-N 324.384 2.360 0 40 DEAB O=C(C[C@H]1SCCNC1=O)Nc1ccccc1C(F)(F)F 17054511 OWUWUWYJKSZZCF-SNVBAGLBSA-N 318.320 2.266 0 40 DEAB COC[C@@H]1CN(C)CC12CCN(Cc1ccc(OC)cc1)CC2 169789862 XMBMUHAHJLPLKQ-KRWDZBQOSA-N 318.461 2.485 0 40 DEAB CCc1c(C)nc(SCC(=O)NC2CCCCC2)[nH]c1=O 4218086 SSVOKNDZBJKXNL-UHFFFAOYSA-N 309.435 2.182 0 40 DEAB CN(Cc1nnc(C2CC2)n1C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 107507531 MORAWUOBIWCEQQ-UBHSHLNASA-N 302.422 2.477 0 40 DEAB Cn1cccc1C(=O)N1CC[C@H](c2noc(C(F)(F)F)n2)C1 238889342 QLGCRHPTFMIUBL-QMMMGPOBSA-N 314.267 2.057 0 40 DEAB O=C(N[C@H]1CCCN(c2ccc(Br)cn2)C1)C1CC1 1888849370 CJGIWZGHLNRKPK-LBPRGKRZSA-N 324.222 2.339 0 40 DEAB CCOc1ccc(C(=O)N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)cn1 1888854337 ZLZGOLJHGAESHW-HUUCEWRRSA-N 315.417 2.037 0 40 DEAB O=C(NC1CN(c2ccccn2)C1)c1ccc(F)cc1Cl 1888856757 CPPCIMIDQMSIAL-UHFFFAOYSA-N 305.740 2.493 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CC[C@H](Oc2ccccn2)C1 238973656 ZQKCBFJJEKQGAL-ZDUSSCGKSA-N 320.352 2.318 0 40 DEAB COCCN1C[C@@H]2CCN(C(=O)c3cc(C)cc(C)c3)[C@@H]2C1 1076497504 AMTCEUCMVYYSJS-DOTOQJQBSA-N 302.418 2.096 0 40 DEAB CCO[C@H]1CCN(C(=O)c2csnn2)[C@H]1Cc1ccccc1 1565553082 JQKKXZIRUAZNES-GJZGRUSLSA-N 317.414 2.400 0 40 DEAB CCOc1ccc(CC(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1 10255731 QQXUOVYZNDQBAG-KRWDZBQOSA-N 324.380 2.071 0 40 DEAB CC(C)CCN1CCN(c2cncc(-c3cnn(C)c3)n2)CC1 2298183986 YHOVQOJQTCIMRN-UHFFFAOYSA-N 314.437 2.045 0 40 DEAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1cccs1 21017963 LNKOSJUUJWHVGE-AWEZNQCLSA-N 301.367 2.329 0 40 DEAB CC(=O)N1CCC(NC(=O)CCOc2ccccc2Cl)CC1 40079638 QDKBZTAYZBRUMS-UHFFFAOYSA-N 324.808 2.236 0 40 DEAB CN(C)c1ccc(-c2noc(C(=O)NC3CCCC3)n2)cc1 20723548 JXHNVRYCVNTANQ-UHFFFAOYSA-N 300.362 2.475 0 40 DEAB CN(Cc1ccsc1)C(=O)c1ccccc1S(C)(=O)=O 32741279 KXROYBOOIZYTDZ-UHFFFAOYSA-N 309.412 2.424 0 40 DEAB O=C(N[C@@H]1CCCc2ccccc21)c1ccnc(-n2cncn2)c1 53758704 SLPYDTJOTXPYAD-MRXNPFEDSA-N 319.368 2.470 0 40 DEAB Cc1noc(C)c1CN(C)CCN1C(=O)c2ccccc2C1=O 42132685 XRDDLODPUJYCNE-UHFFFAOYSA-N 313.357 2.019 0 40 DEAB CC1CCN([C@@H](C)CNC(=O)N[C@H](CO)c2ccccc2)CC1 97048267 RDIHDAORBRFFKF-DOTOQJQBSA-N 319.449 2.140 0 40 DEAB CCOC(=O)C[C@@H](C(=O)OCC)P(=O)(OCC)OCC 1708974 CMZSNMJYRFOFKY-JTQLQIEISA-N 310.283 2.137 0 40 DEAB NC(=O)NOCC(=O)Nc1ccc(Oc2ccccc2)cc1 79065134 NZRRGRGELNGQPB-UHFFFAOYSA-N 301.302 2.017 0 40 DEAB O=C(N[C@@H]1CCc2c(F)cccc21)c1ccnc(-n2cncn2)c1 55693036 OTIKGTVTLUEYCK-OAHLLOKOSA-N 323.331 2.219 0 40 DEAB CNC(=O)NC(C)(C)C(=O)NCCOc1ccc(C(C)C)cc1 56009611 CLEWAAMPSJEKTL-UHFFFAOYSA-N 321.421 2.013 0 40 DEAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN(c2ncccn2)C1 21177774 WSJXMBKBSDHTHA-LBPRGKRZSA-N 300.337 2.471 0 40 DEAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NC1CCCCC1 12685202 NRJRFRNGIFUCEP-PBWFPOADSA-N 321.417 2.374 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 72235209 YPHZQTQPQXMMSY-INIZCTEOSA-N 316.380 2.440 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCc1ccc(-n3ccnc3)cc1)CN2 58299948 TVMDSIFGGFPVKA-INIZCTEOSA-N 322.416 2.209 0 40 DEAB CCc1noc(CN2CCCN(Cc3cccs3)CC2)n1 44917987 YKDGGMZAZTTXCL-UHFFFAOYSA-N 306.435 2.401 0 40 DEAB COc1ccc(N2C(=O)C(=O)N(c3ccccc3)C2=S)cc1 2122832 GVHTZAUPASMORN-UHFFFAOYSA-N 312.350 2.360 0 40 DEAB CCN1C(=O)N[C@H](c2ccc(F)c(F)c2)[C@H]2C(=O)CCC[C@@]21O 28466344 DBINCBPSBBSQJM-IIAWOOMASA-N 324.327 2.109 0 40 DEAB COC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 48383550 FDXXLDBOZDLWIV-CHWSQXEVSA-N 318.329 2.470 0 40 DEAB Cc1nc(CCNC(=O)N(C)Cc2c(C)noc2C)cs1 45489124 MBRZOCAQAPUJNF-UHFFFAOYSA-N 308.407 2.440 0 40 DEAB O=C(NCCNC(=O)C1(c2ccccc2)CC1)c1ccccc1 12983649 WHUFEQJVMMZGCP-UHFFFAOYSA-N 308.381 2.264 0 40 DEAB COCCO[C@@H]1CCN(C(=O)Cc2csc(C(C)C)n2)C1 97103231 UYDOIXORAPTFSI-CYBMUJFWSA-N 312.435 2.073 0 40 DEAB COc1c2c(cc3c1[C@H](Nc1ccncc1)N(C)CC3)OCO2 4090478 HUQDBZGOUSLPHP-QGZVFWFLSA-N 313.357 2.418 0 40 DEAB biogenic Cc1ccc(C(=O)Nc2cccnc2N2CCN(C)CC2)cc1 6029754 DQGXVXOHHPSUHY-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB C/C(=C\C(=O)NCCN1CCOCC1)CCc1ccccc1 65593711 DGKFUYZFKSDTBT-FOCLMDBBSA-N 302.418 2.014 0 40 DEAB O=C1CCN(C(=O)c2cccc(Oc3ccccc3)c2)CCN1 65903388 FGTJKKNBHRVLDQ-UHFFFAOYSA-N 310.353 2.441 0 40 DEAB O=C(CCc1ccc(O)cc1)NCc1cccc(-c2nc[nH]n2)c1 97236991 OPMDXEBNPLWQOG-UHFFFAOYSA-N 322.368 2.426 0 40 DEAB COc1cccc(C(=O)OCC(=O)NCc2ccc(C)cc2)c1 6841070 BAFMPFKWIAEFHL-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)S(C)(=O)=O 9431080 PDKSTBOTNYZQDS-UHFFFAOYSA-N 308.403 2.008 0 40 DEAB O=C(Nc1nc(-c2ccccc2F)cs1)C(=O)NC1CC1 80207844 LZJOXVKCTUBYQV-UHFFFAOYSA-N 305.334 2.166 0 40 DEAB CCc1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)s1 7348095 PQJPXMKLMYAHSM-GFCCVEGCSA-N 318.402 2.307 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)/C=C/c2csc(C)n2)C1 68016790 SRGXTZKYIKJZBS-NNNHXZLVSA-N 323.418 2.202 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1CCc2ccccc21 16472136 SMBHZKJDMWGIDQ-OAHLLOKOSA-N 319.364 2.200 0 40 DEAB Cc1cccc2nc(CNS(=O)(=O)c3ccc(F)cc3)cn12 68944055 LOQJWFQZAZPKFP-UHFFFAOYSA-N 319.361 2.260 0 40 DEAB Cc1sc2ncnc(N(C)CC(=O)N3CCCC3)c2c1C 16738245 IVKKNWNFSMMJQQ-UHFFFAOYSA-N 304.419 2.367 0 40 DEAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@H](C(N)=O)C(C)C 70014549 BRUODMDOCXYPPR-WBMJQRKESA-N 306.406 2.205 0 40 DEAB C[C@@H](Cn1cccn1)N[C@@H](C(=O)N1CCCC1)c1ccccc1 69370514 ACWSFOJVNLJRCC-DOTOQJQBSA-N 312.417 2.225 0 40 DEAB Cn1cnnc1C1CCN(C(=O)c2cccc3cccnc23)CC1 69328517 GLMKTTJHUWVLGO-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB Cc1ccc(OC[C@H](C)NC(=O)c2cnn3cccnc23)cc1 69352155 ANYWJIGZEOLUAD-ZDUSSCGKSA-N 310.357 2.235 0 40 DEAB NC(=O)c1ccccc1NC(=O)CSc1ccc(N)cc1 17030688 INBCHMQZPWITQW-UHFFFAOYSA-N 301.371 2.099 0 40 DEAB CN(C)c1nc2sc(C(=O)N[C@@H]3C=C[C@H](CO)C3)cc2s1 176024940 UDOGMAUDJHLTNG-DTWKUNHWSA-N 323.443 2.091 0 40 DEAB O=S(=O)(N[C@H]1CCN(CC2CC2)C1)c1ccccc1Cl 69619507 JGNDZQKUDAWVFW-LBPRGKRZSA-N 314.838 2.103 0 40 DEAB CNC(=O)c1ccc(CN2CCC(=O)Nc3ccccc32)cc1 72518807 HXWCWQYMKCGIJY-UHFFFAOYSA-N 309.369 2.395 0 40 DEAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1noc(C(C)C)n1 69848548 UHWPUVXARQYPSN-KGLIPLIRSA-N 306.410 2.168 0 40 DEAB COc1ccc(-c2nc(CNC(=O)c3occc3C)n[nH]2)cc1 69893756 OPQUABKZMAOAAC-UHFFFAOYSA-N 312.329 2.312 0 40 DEAB CCCNC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)on1 25391952 XKPCUKPJCUEWNV-UHFFFAOYSA-N 321.764 2.251 0 40 DEAB CC[C@@H](C(=O)Nc1cc(C2CC2)nc(C)n1)N1CCCC1=O 95991398 WCBLUUBBONREOS-ZDUSSCGKSA-N 302.378 2.002 0 40 DEAB CCCCCS(=O)(=O)NCc1ccnc(N2CCCC2)c1 95993335 ZNJHOAWBPJEVCS-UHFFFAOYSA-N 311.451 2.291 0 40 DEAB C[C@H](CCNC(=O)c1cc2ccccc2cc1O)[S@@](C)=O 95971380 STWBXCQPENPJJC-FIKIJFGZSA-N 305.399 2.432 0 40 DEAB Cc1cccc(F)c1NS(=O)(=O)c1ncn(C)c1Cl 95995713 FFEHNUZJJWTIAH-UHFFFAOYSA-N 303.746 2.322 0 40 DEAB CCN1CCN(C(=O)N[C@H](C)c2c(F)cccc2OC)CC1 74740931 ZVJJTBHWAGVITJ-GFCCVEGCSA-N 309.385 2.242 0 40 DEAB C[C@H](CNc1ccc(-c2nccn2C)nn1)Oc1cccnc1 67446982 YEDZMDRTGZDPTF-GFCCVEGCSA-N 310.361 2.152 0 40 DEAB CS[C@@H](C)C(=O)NC(C)(C)C(=O)NCC1CCCCC1 89448457 YLCRCXRNMSWHMX-NSHDSACASA-N 300.468 2.329 0 40 DEAB C[C@H](NCCc1cccc(C(N)=O)c1)c1ccc2c(c1)OCO2 89546715 OJXWKDUBNHMTGL-LBPRGKRZSA-N 312.369 2.408 0 40 DEAB CCc1nc(CNC[C@H]2CCCN2c2cccnn2)cs1 75128885 QWHOQOTWRZXVCS-CYBMUJFWSA-N 303.435 2.254 0 40 DEAB CCO[C@H](C(=O)NCc1c(C)cc(C)[nH]c1=O)c1ccccc1 75123613 VJMVDAFLABYYLA-INIZCTEOSA-N 314.385 2.386 0 40 DEAB CC(C)[C@@H]1CN(C(=O)NCc2cccnc2N(C)C)CCS1 76085361 MTYMYUCXJNDQJF-AWEZNQCLSA-N 322.478 2.431 0 40 DEAB Cc1cc(C)n(CC(=O)Nc2ccc3c(c2)CCCC(=O)N3)n1 171252641 RGMXHKXRFCKIBD-UHFFFAOYSA-N 312.373 2.413 0 40 DEAB C[C@@H](NC(N)=O)C(=O)N(Cc1ccccc1)C1CCCCC1 68450499 CXXAMWQXHMIEJK-CYBMUJFWSA-N 303.406 2.405 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2C(=O)N1CCC=C(F)C1 521396325 MPAGDVQUHLSEGU-KGYLQXTDSA-N 310.369 2.328 0 40 DEAB COc1cccc2ncn(Cc3cnc4ccccn34)c(=O)c12 32553420 KCJKFIHWBJEPRG-UHFFFAOYSA-N 306.325 2.101 0 40 DEAB COC(=O)N1CCC[C@@H](NC(=O)N[C@@H](C)c2ccc(F)cc2)C1 69629415 QEJOHZJCSARMPC-SMDDNHRTSA-N 323.368 2.417 0 40 DEAB CCn1cnnc1[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 565938374 RYHHWBHVJAKDAW-GFCCVEGCSA-N 313.409 2.046 0 40 DEAB CNc1cc([C@@H]2CN(Cc3csc(C)n3)CCO2)nc(C)n1 72387831 IJLSAEKQJCVKPQ-AWEZNQCLSA-N 319.434 2.165 0 40 DEAB Cc1nnc(COc2ccc(NC(=O)CN(C)C(C)C)cc2)o1 79310338 FPQHQXFDWVQTAI-UHFFFAOYSA-N 318.377 2.236 0 40 DEAB CCOC(=O)C1CCN(C(=O)[C@@H](C)Oc2ccc(F)cc2)CC1 45051648 BXSSAQKOBLMIDT-GFCCVEGCSA-N 323.364 2.395 0 40 DEAB COc1ccc(OC)c(CNC(=O)[C@H]2Cc3ccccc3O2)c1 26376604 SZBMAGOOKSKDJC-QGZVFWFLSA-N 313.353 2.324 0 40 DEAB CN(C)c1ncc(NC(=O)CCc2ccccc2)c(N(C)C)n1 224349461 VUFFGVAMWWCTSZ-UHFFFAOYSA-N 313.405 2.180 0 40 DEAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C(=O)NC(C)C 225680940 NGMFTEPXUPJVCG-ZDUSSCGKSA-N 306.406 2.347 0 40 DEAB Cc1ncccc1CCNC(=O)[C@@H]1NCC[C@H]2CCCC[C@H]21 1579880645 RBMXDRIGDAQUJI-BRWVUGGUSA-N 301.434 2.217 0 40 DEAB CCN(CC)C(=O)[C@@H](C(=O)c1ccccc1)n1ccccc1=O 199418632 VELTWZWKODLKHG-MRXNPFEDSA-N 312.369 2.141 0 40 DEAB CCOC(=O)CCN(C)C(=O)c1ccc2c(c1)nc(Cl)n2C 222546529 FNNYWGNPXUVUMT-UHFFFAOYSA-N 323.780 2.252 0 40 DEAB C[C@@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)c1cccs1 80915070 OTKDKWLWZQGIKQ-ZIAGYGMSSA-N 308.447 2.175 0 40 DEAB O=C1NC2(CCN(Cc3cccnc3)CC2)C[C@H]1c1ccncc1 96061407 DHSYCSPPDVLRML-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB C[C@]1(C(=O)N2CCOCC2)CC(c2ccccc2Cl)=NO1 96192586 FEZLZNLHAXQXEV-OAHLLOKOSA-N 308.765 2.082 0 40 DEAB CC(C)[C@@H]1CN(C(=O)Nc2ccnn2-c2ccccn2)CCO1 578958939 NZLILDZXBAFCHD-ZDUSSCGKSA-N 315.377 2.156 0 40 DEAB COCC[C@@H]1CO[C@]2(CCCN(C(=O)Cc3ccncc3)C2)C1 96222098 QRYGFMPGHZFOLB-FUHWJXTLSA-N 318.417 2.058 0 40 DEAB COCCN1CCC2(CCN(Cc3cccs3)CC2)C1=O 96046790 ONFYDSVWJLYUAB-UHFFFAOYSA-N 308.447 2.209 0 40 DEAB O=C(C[C@H]1C[C@H]2CN(Cc3ccsc3)C[C@H]2O1)NCC1CC1 96215619 SWPVSFBZMDESDH-ARFHVFGLSA-N 320.458 2.254 0 40 DEAB Cc1cccc(CN2C[C@@H]3C[C@H]2C(=O)N(C)c2ccccc2O3)n1 96111920 NPKSZXOMUCGXLP-RDJZCZTQSA-N 323.396 2.388 0 40 DEAB biogenic,in-vitro Cc1ccc(CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cc1 96336178 WSTNWYYJMREKKU-UHFFFAOYSA-N 324.306 2.190 0 40 DEAB Cn1cnn(-c2ccc(NCCc3cccs3)cc2)c1=O 97233505 NRDDOICJJCUWAA-UHFFFAOYSA-N 300.387 2.287 0 40 DEAB O=S(=O)(NCCc1c[nH]c2cc(F)ccc12)c1cccnc1 96453002 XROOSRDGYXGKAQ-UHFFFAOYSA-N 319.361 2.223 0 40 DEAB COc1ncnc2c1CN(CCOc1ccccc1F)CC2 97202601 XXQKSAUHYLVNPA-UHFFFAOYSA-N 303.337 2.061 0 40 DEAB CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ncc(C)s2)C1 257254662 KEDRUTPVVQOCKW-GFCCVEGCSA-N 317.480 2.218 0 40 DEAB CSc1cccc(F)c1C(=O)N1CC(c2nc(C)no2)C1 252507992 WZPUHAYUIZOZDP-UHFFFAOYSA-N 307.350 2.479 0 40 DEAB O=C([C@@H](O)c1ccccc1)N1CCC(Oc2ccncc2)CC1 390827950 MJEWALSOVYSXKS-KRWDZBQOSA-N 312.369 2.185 0 40 DEAB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cc2ccco2)C1 575422290 UOTZVLUMPRSDNT-HNNXBMFYSA-N 305.399 2.469 0 40 DEAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)N(C)C)C3)n1 585105083 OZYNXOYEECNQEH-CQSZACIVSA-N 321.446 2.148 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)[nH]c2ccc(F)cc12 585263065 ZQZWDOSAQOXIBH-IIAWOOMASA-N 320.364 2.010 0 40 DEAB CN1C(=O)CC[C@@H](C(=O)NCc2ccc[nH]2)[C@H]1c1ccccc1 74121702 QATNDCKCSRHNRO-NVXWUHKLSA-N 311.385 2.241 0 40 DEAB C[C@@H](CCc1cccn1C)NC(=O)N[C@@H]1CCN(CC2CC2)C1 76088501 ALAYQVRTZKSEKU-GOEBONIOSA-N 318.465 2.130 0 40 DEAB COc1ccccc1NC(=O)COc1cccc(C(=O)O)c1 13080007 QJIJNMSWEUDFOB-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB CCCCNC(=S)N1C[C@H](C(=O)N(C)C)Oc2ccccc21 15155097 UGHNAZBMPHBQNZ-CQSZACIVSA-N 321.446 2.017 0 40 DEAB Cc1csc([C@H](Cc2cccs2)NC(=O)CN(C)C)n1 19240042 UGFWDVYOYZAFCM-LBPRGKRZSA-N 309.460 2.475 0 40 DEAB OCCN(Cc1cccnc1)Cc1cncn1Cc1ccccc1 19372914 ZTXNJBBWBWGRID-UHFFFAOYSA-N 322.412 2.321 0 40 DEAB CN1CCC[C@H]1c1ncc2c(n1)CCN(C(=O)c1ccccc1)C2 19588818 TUJHVHOAQJJIDB-KRWDZBQOSA-N 322.412 2.442 0 40 DEAB Cc1nc(C)c(C(=O)N2CCC(CC(=O)NCC3CC3)CC2)o1 19748475 QBYVBMZRJDYISX-UHFFFAOYSA-N 319.405 2.060 0 40 DEAB O=C1[C@H]2CC=C(Cl)C[C@H]2C(=O)N1CCCN1CCCCC1 19851210 MCJUKPTXPPKVLZ-UONOGXRCSA-N 310.825 2.380 0 40 DEAB CC(C)c1noc(CN2CCC(COc3cnccn3)CC2)n1 1849640266 CTIUYQHKWQRFTK-UHFFFAOYSA-N 317.393 2.274 0 40 DEAB O=C(c1ccccn1)N1CCC(O)(COc2ccccc2)CC1 2037905590 MPLVVRRXAGZHHI-UHFFFAOYSA-N 312.369 2.128 0 40 DEAB Cc1cc(CN2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)no1 2086934298 UDKJDTRTUPWXMC-CHWSQXEVSA-N 302.353 2.085 0 40 DEAB COc1ccc(C(=O)NC[C@@H]2COC3(CCCC3)O2)cc1OC 10220523 RLXAYZPZLJREQC-CYBMUJFWSA-N 321.373 2.119 0 40 DEAB CC[C@@H](C)NC(=O)CCCCCn1nnc2ccccc2c1=O 19809036 SIUQUIYDDJILIS-CYBMUJFWSA-N 316.405 2.267 0 40 DEAB O=C(Cc1cccs1)NC1CCN(C(=O)c2ccco2)CC1 32904651 DAYBVXBCNZNENS-UHFFFAOYSA-N 318.398 2.305 0 40 DEAB O=C(NCc1ccoc1)N1CCN(Cc2ccsc2)CC1 47088776 QNLJUPBUPXOLBT-UHFFFAOYSA-N 305.403 2.369 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 47464206 VACDBLWTSFNHPD-UHFFFAOYSA-N 300.280 2.010 0 40 DEAB Cc1cccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1 484718 VGWDIRFNZKTCJE-INIZCTEOSA-N 313.353 2.186 0 40 DEAB CC(C)NC(=O)C[C@H](C)NC(=O)N1CCC[C@H](C(F)(F)F)C1 78947025 ZQAKPGUKUQDIQN-QWRGUYRKSA-N 323.359 2.274 0 40 DEAB Cn1cc(CCC(=O)N[C@@H]2CCC[C@@H]2Oc2ccccc2)cn1 79033002 DOTQLHTVWKZESX-SJORKVTESA-N 313.401 2.469 0 40 DEAB Cn1c(Cl)cnc1CN1CCCN(C(=O)c2ccoc2)CC1 55059953 MPLGMBFEJLVTKZ-UHFFFAOYSA-N 322.796 2.015 0 40 DEAB O=S(=O)(CCn1nnc2ccccc21)NC1CCCCCC1 24701007 LLTWDJBMIFAKMB-UHFFFAOYSA-N 322.434 2.074 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)c(C)c1 24929761 BREKHLQUASZHND-VOTSOKGWSA-N 322.412 2.455 0 40 DEAB CC1CCN(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)CC1 109015617 XKAUGPYAVXYYIB-CBBWQLFWSA-N 300.468 2.377 0 40 DEAB Cc1ccc(-n2nnnc2NC[C@H](O)c2cccc(F)c2)cc1 58291299 DVKOJVKWOIVDJR-HNNXBMFYSA-N 313.336 2.255 0 40 DEAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1ccccn1 44949243 OLGHBKCNRNBZIS-TZMCWYRMSA-N 302.378 2.338 0 40 DEAB CCS(=O)(=O)c1ccccc1NC(=O)c1cccc(C)n1 44912883 WHVPYXCPCDBGCA-UHFFFAOYSA-N 304.371 2.436 0 40 DEAB NC(=O)[C@H](NCC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1 58370679 ASVVDNBUZYRCPE-QGZVFWFLSA-N 324.380 2.263 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)c2ccc(F)cc2F)c1 58492782 PWQUJAGZSDIABN-UHFFFAOYSA-N 315.283 2.408 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)C1(O)CCCCC1 48232332 FVPNRJVBOAMKRU-CYBMUJFWSA-N 317.385 2.203 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCCCn2ccnc2C)C12CCC2 95405296 PVCQLDUWCUVFBN-GJZGRUSLSA-N 320.437 2.229 0 40 DEAB CC(C)(C)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(=O)O 95424710 XRMWGTGIDQHEGU-CQSZACIVSA-N 315.373 2.161 0 40 DEAB CS(=O)(=O)Nc1ccc(NC(=O)CCc2ccco2)cc1 11363116 RETZGTNFXMBIAW-UHFFFAOYSA-N 308.359 2.222 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccc(C=O)cc2)cc1 3302067 QXDCVWFCKIQTLM-UHFFFAOYSA-N 313.309 2.303 0 40 DEAB COc1ccc(C)cc1NC(=O)CSc1cccc[n+]1[O-] 3361391 VQNJEAXYYLATOA-UHFFFAOYSA-N 304.371 2.368 0 40 DEAB O=C(CC1(O)CCCCC1)NC[C@]1(O)CCc2ccccc21 95434782 QVMKFSRLUHUYKO-GOSISDBHSA-N 303.402 2.022 0 40 DEAB O=C(NN1CCCNC1=O)c1ccc(SC(F)(F)F)cc1 95467328 YUOWSPLJUDABMO-UHFFFAOYSA-N 319.308 2.359 0 40 DEAB Cc1ccccc1[C@@H](C)NC(=O)c1cccc(S(N)(=O)=O)c1 12853685 WRAULSQMNUGEJC-GFCCVEGCSA-N 318.398 2.133 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(=O)n(C)c1 48961774 LDBZTKMOILOBCU-UHFFFAOYSA-N 312.778 2.148 0 40 DEAB Cc1c(CC(=O)NCc2cccnc2)c(=O)oc2cc(O)ccc12 4000267 JDATWGBNPXPWRT-UHFFFAOYSA-N 324.336 2.061 0 40 DEAB biogenic CCOCC(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1 97084793 YGAXBXYFODCBQX-UHFFFAOYSA-N 307.329 2.035 0 40 DEAB Cn1c(Oc2cccc(Cl)c2Cl)cc(=O)n(C)c1=O 6219149 BPEPGSWJXMBBKD-UHFFFAOYSA-N 301.129 2.183 0 40 DEAB CC[C@@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 22273256 VPSMZKKYTZRUAW-SNVBAGLBSA-N 318.826 2.021 0 40 DEAB COc1ccc(-c2noc(CCC(=O)NC(C)C)n2)cc1OC 4384102 SUWOCIPEATUEQD-UHFFFAOYSA-N 319.361 2.211 0 40 DEAB O=C(c1ccc(Br)cc1F)N1CCCNCC1 19515321 PRBDYYDVTLUPHM-UHFFFAOYSA-N 301.159 2.024 0 40 DEAB CCc1ccc(OCC(=O)N2CCC[C@@H](n3cncn3)C2)cc1 72272247 WUJBENKFEVHYTL-OAHLLOKOSA-N 314.389 2.083 0 40 DEAB O=C(Nc1cc(CCc2ccccc2)n[nH]1)c1ccc(=O)[nH]c1 72293590 UFNMMSRFWHEWMC-UHFFFAOYSA-N 308.341 2.136 0 40 DEAB COc1ccc(S(=O)(=O)NCc2cscn2)c(C)c1F 96008588 XAUXCEMZWNAXTK-UHFFFAOYSA-N 316.379 2.078 0 40 DEAB Cc1ccccc1OC[C@@H](O)CN1CCN(CC(C)C)CC1 65550919 CMJWDRHIYXWVPM-KRWDZBQOSA-N 306.450 2.008 0 40 DEAB CC1(C)NC(=O)N(CC(=O)Nc2ccc(C(C)(C)C)cc2)C1=O 4516780 JSKCXTGZEDACPF-UHFFFAOYSA-N 317.389 2.253 0 40 DEAB COC(=O)COc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1 20244057 RXJVRGFGENBYEO-INIZCTEOSA-N 312.325 2.093 0 40 DEAB O=C([C@@H]1CCCN1c1nc2ccccc2o1)N1CCSCC1 66818241 QSJMIAAZRVVFFH-ZDUSSCGKSA-N 317.414 2.372 0 40 DEAB COC(=O)c1ccc(Cn2nnc(-c3ccccc3C)n2)cc1 4956838 JYQCHPYAHUYOEH-UHFFFAOYSA-N 308.341 2.483 0 40 DEAB C[C@H](CSC(C)(C)C)N[C@H]1CCN(c2cnn(C)c2)C1=O 90017075 SPIVAJAKDUYUPD-YPMHNXCESA-N 310.467 2.035 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)NC2CCCCCCC2)c1 9452668 QVOPZKKLCWGTGH-UHFFFAOYSA-N 324.446 2.437 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 7968753 MEOPMTGNPSWFDO-XJKSGUPXSA-N 318.398 2.282 0 40 DEAB O=C(O)C1CCN(C(=O)CSc2nc3ccccc3o2)CC1 16545275 DRCGQTZFNLPCEH-UHFFFAOYSA-N 320.370 2.243 0 40 DEAB Cc1ccccc1C(C)(C)CNC(=O)[C@H]1CCCN(C(N)=O)C1 69486817 BZXNVUIEXCXAES-AWEZNQCLSA-N 317.433 2.180 0 40 DEAB COc1cccc(CS[C@H](C)C(=O)NC(=O)NC2CC2)c1 69485629 QLKGSTYRGDUTGT-SNVBAGLBSA-N 308.403 2.305 0 40 DEAB CC(=O)Nc1ccc(O[C@H](C)C(=O)NCC(F)(F)F)cc1 8429348 UUCLWFVJJHKPJV-MRVPVSSYSA-N 304.268 2.091 0 40 DEAB CCC[C@H]1C[C@H]1NC(=O)N1CCCN(c2nc(C)ns2)CC1 96440984 XJJLUVNZLPMREH-QWHCGFSZSA-N 323.466 2.257 0 40 DEAB C[C@]1(c2ccsc2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 69582413 PERAWHAMGPYKCR-XJKSGUPXSA-N 316.382 2.249 0 40 DEAB O=C(NCCCCNc1ccccn1)c1ccc2c(c1)OCO2 69666512 AYYLOYQXJCLYSZ-UHFFFAOYSA-N 313.357 2.432 0 40 DEAB C[C@@H](Cn1cccn1)N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 69952163 SLEVCEFHLYCABM-UONOGXRCSA-N 318.396 2.047 0 40 DEAB CC(=O)Nc1ccc(N[C@H]2CC(=O)N(CCC(C)C)C2=O)cc1 8780551 HQLMOZOIQWPBOO-HNNXBMFYSA-N 317.389 2.231 0 40 DEAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nnc(N)s2)cc1 8733922 ZOKXNFDSGHYBBV-SECBINFHSA-N 308.432 2.226 0 40 DEAB CSc1cncc(N2CC[C@H](OCCN3CCCCC3)C2)n1 97162959 UHAIEYAGMUGBDD-AWEZNQCLSA-N 322.478 2.280 0 40 DEAB C[C@H](CO)CNC(=O)CCc1cc(F)ccc1Br 97107275 BDMUVXPHOUBZEW-VIFPVBQESA-N 318.186 2.265 0 40 DEAB CSCCNC(=O)N1CCN([C@H](C)c2ccsc2)CC1 97142504 UPVIGLYIDZEUSP-GFCCVEGCSA-N 313.492 2.499 0 40 DEAB O=C(C[C@H]1CCc2ccccc2C1)NCCc1nnc2n1CCC2 71899397 ABYGXXWFOLNDFB-AWEZNQCLSA-N 324.428 2.078 0 40 DEAB C[C@H](O)CN1CCN(CCOc2ccc3ccccc3c2)CC1 71877445 AABDGCOZDYVTDG-INIZCTEOSA-N 314.429 2.217 0 40 DEAB Cc1cccc(S(=O)(=O)Nc2ccc(-n3ccnc3)nc2)c1 71859399 VTMQAOSMIILTLT-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB Cc1ccc2nc(CN(C)C[C@H]3CCCCO3)cc(=O)n2c1 71821823 HBDHAGQLFJHLOE-OAHLLOKOSA-N 301.390 2.004 0 40 DEAB CN(Cc1cnn(C)c1)[C@H]1CCN(c2cccc(Cl)c2)C1=O 84318443 DBTFZUJVVTXMLF-HNNXBMFYSA-N 318.808 2.311 0 40 DEAB COc1ccc2c(c1)CN(S(=O)(=O)c1c(C)noc1C)CC2 95954890 TYZQVQRHNZZRHC-UHFFFAOYSA-N 322.386 2.047 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 95962132 ZAVYWJKILKFIMV-KGLIPLIRSA-N 321.808 2.465 0 40 DEAB CCc1ncnc(N2CCOC[C@H]2c2c(C)nn(C)c2C)c1F 95983465 XIKJEKBNOVAXLU-ZDUSSCGKSA-N 319.384 2.106 0 40 DEAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1cccnc1Cl 75093471 JKGHJAPBFQRVSH-ZWNOBZJWSA-N 300.811 2.111 0 40 DEAB COc1ccc(CN2C(=O)[C@H](C)NC2=S)c(C(F)(F)F)c1 65593956 HMFCXCJPQNYBRV-ZETCQYMHSA-N 318.320 2.319 0 40 DEAB Cc1ccc(C(=O)N2CCN(c3nccs3)CC2)c(O)c1 20545329 VVGZZUMBJFNGNL-UHFFFAOYSA-N 303.387 2.120 0 40 DEAB O=C(O)c1c(I)cnc(Cl)c1F 1535641108 COXWICAAMAQUIR-UHFFFAOYSA-N 301.442 2.177 0 40 DEAB CN[C@H](CC(C)C)C(=O)O[C@@H](C)C(=O)OCc1ccccc1 219548069 FXIJZOQWQFFENP-DZGCQCFKSA-N 307.390 2.296 0 40 DEAB O=C(O)c1ccc(OCCNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 542517952 OSFTXSMDXXPANH-CORIIIEPSA-N 301.342 2.092 0 40 DEAB COC(=O)c1cc(OC)ccc1OC(=O)c1csc(C)n1 78442919 XNAWGUIIZIQOJS-UHFFFAOYSA-N 307.327 2.466 0 40 DEAB O=C1CCC(=O)N1CCC(=O)N1CCCCC[C@H]1c1ccco1 76511173 AEZVXKXIJIGVPK-ZDUSSCGKSA-N 318.373 2.262 0 40 DEAB Cc1cc(S(=O)(=O)Nc2nnc[nH]2)c(Cl)cc1Cl 72414445 NZCRJFFOHRIEHJ-UHFFFAOYSA-N 307.162 2.221 0 40 DEAB Cc1nc(C)c(CCNC(=O)c2ccnc(N(C)C)c2)s1 78713287 ABHCUHUBHMOQFY-UHFFFAOYSA-N 304.419 2.193 0 40 DEAB CSc1ccc(OCCN2CCC[C@@H](NC(C)=O)C2)cc1 75640031 GMXIOOAMSMBVPA-CQSZACIVSA-N 308.447 2.388 0 40 DEAB O=S(=O)(NC[C@H]1CCCNC1)c1c(Cl)cccc1Cl 44502224 QMZSSSXTBMTYIO-VIFPVBQESA-N 323.245 2.271 0 40 DEAB O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCc2ccccc21 225708209 FGLYAPSCVGOUKR-HNNXBMFYSA-N 310.353 2.452 0 40 DEAB CCCOCc1cc(C(=O)N2CCN(C)CC2)ccc1OCC 224709078 CFZJIJSAOGMYKW-UHFFFAOYSA-N 320.433 2.400 0 40 DEAB CN(C(=O)CN1CCC[C@@H]1C[C@@H](O)c1ccccc1)C1CC1 195531563 KNLZAKPDHVNUHH-IAGOWNOFSA-N 302.418 2.195 0 40 DEAB Cc1oncc1C(=O)NCC1CCN(c2cccnc2)CC1 225655401 ROXOSJMUVDWQMJ-UHFFFAOYSA-N 300.362 2.024 0 40 DEAB C[C@H]1CN(C)c2ccccc2CN1C(=O)CNC(=O)C(C)(C)C 83003749 UZEWQYVVCDPAOM-ZDUSSCGKSA-N 317.433 2.016 0 40 DEAB Nc1ccc(N2CCN(c3ccccc3F)CC2)c(C(=O)O)c1 225323685 KEZBIYILFHAQKT-UHFFFAOYSA-N 315.348 2.433 0 40 DEAB CN(C)c1nccc(CNC(=O)Nc2ccc(F)cc2F)n1 224238577 GEDNXXKGGVSRKZ-UHFFFAOYSA-N 307.304 2.143 0 40 DEAB O=C(CN1C(=O)CCCc2ccccc21)Nc1nccs1 227168548 FNKBCIZMRVLNCF-UHFFFAOYSA-N 301.371 2.451 0 40 DEAB CSC[C@H](O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 225708571 KLRAAIKKKUNGEB-SNVBAGLBSA-N 318.324 2.083 0 40 DEAB COCCCNC(=O)CN1C(=O)C(C)(C)c2cc(Cl)ccc21 96181605 BGZNKXDQEDUOQS-UHFFFAOYSA-N 324.808 2.117 0 40 DEAB C[C@H](NC1CCOCC1)c1ccc(OCC(=O)NC2CC2)cc1 95420492 RWVDXSFQSWCGCB-ZDUSSCGKSA-N 318.417 2.174 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)c1cc(C)c(F)cc1Cl)C(N)=O 96469283 BSZRELCVDUEHEJ-KRTXAFLBSA-N 300.761 2.417 0 40 DEAB CCC(=O)N1CC[C@]2(c3ccccc3)CCN(C(C)=O)[C@H]2C1 96251856 SZNPGJQWYZFNHC-FUHWJXTLSA-N 300.402 2.188 0 40 DEAB Cc1ccc(CN2CCc3c(C(=O)N(C)C)nn(C)c3C2)s1 96187464 YGTCULLIJKXUPM-UHFFFAOYSA-N 318.446 2.050 0 40 DEAB CCOCC(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 97232409 JLGGYWFDJVJECW-SNVBAGLBSA-N 300.761 2.211 0 40 DEAB C[C@H](CNC(=O)Cc1cnn(C)c1)Oc1ccc(Cl)cc1 96431987 LAJAVUTWVDDLPV-LLVKDONJSA-N 307.781 2.200 0 40 DEAB CCO[C@H](C)c1noc(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)n1 245339284 RSMKCOFYRHXWJC-AGIUHOORSA-N 322.409 2.499 0 40 DEAB O=C(CNC(=O)C1CC1)Nc1nc2cc(F)c(F)cc2s1 64345766 NQFNFTCTDUQMOG-UHFFFAOYSA-N 311.313 2.039 0 40 DEAB CC(C)(C)C(=O)N1CC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 257338598 YYDAGEIQBQTFSI-GFCCVEGCSA-N 313.405 2.304 0 40 DEAB COc1ccc(F)cc1C(=O)N1CC[C@H](c2nc(C)c[nH]2)C1 257254382 KCUWTBQCDRMOND-NSHDSACASA-N 303.337 2.496 0 40 DEAB CCCn1nccc1CNCc1cnn(CC(F)(F)F)c1 256051835 KRNIHXCAOHGWJY-UHFFFAOYSA-N 301.316 2.342 0 40 DEAB Cc1cc(CCC(=O)NCCOCCn2ccnc2)ccc1F 575621035 XLLXIENNZQGBIH-UHFFFAOYSA-N 319.380 2.096 0 40 DEAB Cc1ncc2n1C[C@H](C(=O)NCC1(O)CCC(C)(C)CC1)CC2 585142547 YCEORNANKMJVEJ-CQSZACIVSA-N 319.449 2.201 0 40 DEAB Cc1ncc(CNC(=O)CNC(=O)c2cccc(Cl)c2)s1 71847404 RLCYDWQIRLWMNJ-UHFFFAOYSA-N 323.805 2.151 0 40 DEAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1CC(=O)OC(C)(C)C 58430279 RKAWYKWBBRPMJS-WCQYABFASA-N 304.390 2.196 0 40 DEAB CC(=O)c1cccc(OCCCC(=O)Nc2ccn(C)n2)c1 58641093 KUMWPGUGQKNBNG-UHFFFAOYSA-N 301.346 2.420 0 40 DEAB COc1cc(CNCc2ccc(N(C)C)nc2)cc2c1OCO2 42227535 HAJLVLFMJRHZHZ-UHFFFAOYSA-N 315.373 2.175 0 40 DEAB O=C(Cc1cn2c(n1)CCCC2)Nc1cc(C(F)(F)F)[nH]n1 1548453697 GHMMUNORIQSEAG-UHFFFAOYSA-N 313.283 2.143 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 17994406 QLDBIMFBXSTJIF-BKUVIOGVSA-N 309.243 2.148 0 40 DEAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-n2cnnn2)cc1 5457226 UTLZMHZTTUSITM-XCVCLJGOSA-N 309.304 2.453 0 40 DEAB COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)cc1C 5559635 YSOOIMBFCZSENB-OAHLLOKOSA-N 318.373 2.121 0 40 DEAB COCCn1cnc2c(Nc3ccc(F)cc3F)ncnc21 1888913235 DHTFNDZQIHHYCV-UHFFFAOYSA-N 305.288 2.495 0 40 DEAB CC(C)N1C[C@@]2(CCN(Cc3ccccc3F)C2)COCC1=O 2037980989 PLYDERIAURFHKF-SFHVURJKSA-N 320.408 2.285 0 40 DEAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)NCCO)sc2n1 4575122 ZUFWYIWVRKAQHV-UHFFFAOYSA-N 315.398 2.426 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sccc1C(N)=O 38549400 TXGLGHUNYTYOQM-QPUJVOFHSA-N 318.354 2.014 0 40 DEAB CN(C)CC(C)(C)CNc1ccc2nnc(C(F)(F)F)n2n1 40480028 XIBNRWFAYXXFQI-UHFFFAOYSA-N 316.331 2.143 0 40 DEAB O=C(O)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C[C@@]23C=C[C@H]1O3 100634866 QPIMZZREQHWMAF-OLMMMNRUSA-N 321.332 2.211 0 40 DEAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1noc(C(C)(C)C)n1)C2=O 40538687 WMCUHQYZTZHUPN-QFYYESIMSA-N 320.393 2.368 0 40 DEAB CCOCCO[C@@H](C)C(=O)NCc1ncc(-c2ccccc2)[nH]1 51410624 OWQRUJSCGRUCLW-ZDUSSCGKSA-N 317.389 2.135 0 40 DEAB O=C(CCCNC(=O)C1CC1)NCCSc1ccccc1 32712246 RFBCKTLXYJJDMI-UHFFFAOYSA-N 306.431 2.201 0 40 DEAB Cc1nnc(S[C@H]2CCCCNC2=O)n1-c1ccccc1 32871709 BTHAAWOQAHNQIX-ZDUSSCGKSA-N 302.403 2.337 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102739149 HMVBGVLEDNNDAR-JDPPGYRCSA-N 317.433 2.100 0 40 DEAB C[C@@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@@H](C)O1 544613 VVAOCWGSSLOYEU-CHWSQXEVSA-N 309.373 2.429 0 40 DEAB O=S(=O)(O)c1cc(Br)ccc1Br 2564294 GUCJTGYQCHDCLD-UHFFFAOYSA-N 315.970 2.458 0 40 DEAB NC(=O)[C@@H](NCCCn1cnc2ccccc21)c1ccccc1 54609179 VXWTZOXJDYCEEG-KRWDZBQOSA-N 308.385 2.243 0 40 DEAB Cc1ccccc1CNC(=O)[C@H]1CCC(=O)N1Cc1ccco1 72239576 ZYPNZQLCDBPHGQ-MRXNPFEDSA-N 312.369 2.395 0 40 DEAB Cn1ncc2c(NCCO)nc(Nc3cccc(Cl)c3)nc21 4374971 BYXMHZHQKLWJQG-UHFFFAOYSA-N 318.768 2.165 0 40 DEAB CCn1cc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C)n1 6636793 IJVYRDWVDMMOCE-WXHSDQCUSA-N 307.394 2.280 0 40 DEAB Cn1c(=O)c2sccc2n(Cc2ccccc2Cl)c1=O 6679710 UBAZCQZGDOPJBQ-UHFFFAOYSA-N 306.774 2.463 0 40 DEAB C[C@@H](C(=O)NCc1ccccc1)N(C)Cc1nccn1C(F)F 72765783 NTPYZCZWIBDHFN-LBPRGKRZSA-N 322.359 2.415 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)N(C)c2ccc(F)c(F)c2)C1 72297044 TZTOXGRIXXBSPX-JTQLQIEISA-N 304.362 2.378 0 40 DEAB CCc1cccc(CC)c1NC(=O)C[C@H]1SC(N)=NC1=O 8653015 ZKUBGIMXJKINIO-LLVKDONJSA-N 305.403 2.097 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)c1 100179755 VFQUGKLWSURPCK-SJJUBHFPSA-N 323.348 2.031 0 40 DEAB O=C(N[C@H]1CCc2cc(F)ccc21)c1ccnc(-n2cncn2)c1 55658500 IMSLRDGEQNMFCA-HNNXBMFYSA-N 323.331 2.219 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COCC(=O)N2C[C@@H](C)C[C@@H](C)C2)C1 72245363 OUHNCZYRNPGRBY-YHUYYLMFSA-N 324.465 2.012 0 40 DEAB O=C(O[C@@H]1CCOC1=O)c1ccc(OCc2cscn2)cc1 12517676 MUSAKJZCZCKKAO-CYBMUJFWSA-N 319.338 2.194 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 62001813 LNZHJJDGUYRQQP-ZIAGYGMSSA-N 300.358 2.183 0 40 DEAB biogenic COc1ccc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1F 9389395 VJCBLXRRAXFEMW-UHFFFAOYSA-N 319.332 2.336 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NC[C@@H]1COCCO1 57080525 JBLIEZDQRXDDCB-OCCSQVGLSA-N 322.405 2.316 0 40 DEAB O=C(NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 108141139 RPRPBFOMTATLBP-JKSUJKDBSA-N 316.426 2.113 0 40 DEAB O=C(Nc1cccnc1)[C@H]1CN(C2CCCC2)C[C@H]2OCC[C@H]21 107715165 GXVILDCGOJGVTK-YESZJQIVSA-N 315.417 2.300 0 40 DEAB CC1=C(Cn2nnc(C(=O)O)c2C)N[C@H](c2ccc(C)cc2)O1 101410772 FNTPSSPYJPRBMG-HNNXBMFYSA-N 314.345 2.143 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nn1cnc2ccccc21 27044078 AJMZGIDWOQGHQN-ZBEGNZNMSA-N 309.325 2.335 0 40 DEAB CCn1cc(CNC(=O)CCn2ncc3ccccc32)c(C)n1 57279564 ZUJJANYPFCVQQQ-UHFFFAOYSA-N 311.389 2.268 0 40 DEAB COc1ccc(CNC(=O)Nc2cccnc2OC)cc1O 44953464 YZAAFCZKUJHRKH-UHFFFAOYSA-N 303.318 2.126 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)s1 44954552 QGZJZGKVQBFBFO-GFCCVEGCSA-N 318.398 2.314 0 40 DEAB COc1ccc(OC)c([C@@H](O)CN(C)Cc2cc(C)on2)c1 48263480 FISPVGJGDQTORW-HNNXBMFYSA-N 306.362 2.166 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(F)c(F)cc1Cl 58304601 IVGQCRLTFGAUSR-YUMQZZPRSA-N 316.735 2.344 0 40 DEAB COC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58358028 VFXLOAIFJBRIRP-UKRRQHHQSA-N 308.397 2.189 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)N(C)Cc1nc2ccccc2[nH]1 28037446 PCVMACMPGDVSEF-LBPRGKRZSA-N 322.434 2.114 0 40 DEAB O=C(N[C@H]1CCS(=O)(=O)c2ccccc21)[C@H]1CC=CCC1 11005101 MSPWTOQLFNLMSR-JSGCOSHPSA-N 305.399 2.378 0 40 DEAB O=C(NCc1cc[nH]n1)Nc1ccc(N2CCCCC2)nc1 48342335 PVUGPQOKDBUXGM-UHFFFAOYSA-N 300.366 2.117 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100184477 OBGUHHIBCDQXFQ-ZHFDPBBPSA-N 323.348 2.031 0 40 DEAB COCc1cc(/C=C2\N=C(S)N(C3CC3)C2=O)ccc1OC 2788927 HZSVQWXCDXMLHV-JYRVWZFOSA-N 318.398 2.473 0 40 DEAB Cc1csc(SCC(=O)NC(=O)NCCC(C)C)n1 3413747 HSXCUYWNADUPKL-UHFFFAOYSA-N 301.437 2.416 0 40 DEAB Cn1c(C(=O)N2CC[C@](C)(C(=O)O)C2)cc(Cl)c1Cl 62913967 MKBHERWZRNMAAV-LBPRGKRZSA-N 305.161 2.269 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)c(Cl)c1 9112069 ARDSXXIRVDOWKZ-GFCCVEGCSA-N 316.810 2.011 0 40 DEAB COc1cccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1 13942674 WAOBEIQJUZPGIL-ZPHPHTNESA-N 310.309 2.478 0 40 DEAB CC(C)(C)c1cc(NC(=O)CSc2cccc[n+]2[O-])on1 5281619 UMELCGCNYUMRTN-UHFFFAOYSA-N 307.375 2.336 0 40 DEAB O=C(Nc1ccc2nccnc2c1)[C@@H]1COc2ccccc2O1 5347216 KWMIGNZHPIOUIO-INIZCTEOSA-N 307.309 2.408 0 40 DEAB Cc1cc(NC(=O)C(=O)NCC(C)(C)c2ccccc2C)no1 65622819 GPNLCUXKQFNRSY-UHFFFAOYSA-N 315.373 2.324 0 40 DEAB O=C(Nc1nc(-c2ccccc2)ns1)N1CCC(CO)CC1 65798464 NKWRLDBDLDLXEB-UHFFFAOYSA-N 318.402 2.441 0 40 DEAB COc1c(Cl)cc(C(N)=O)cc1I 26508593 FDIABDSMHDRISK-UHFFFAOYSA-N 311.506 2.052 0 40 DEAB COc1ccc(CN(C)c2ncnc3c2cnn3C)cc1OC 14214271 SDZUDTHPONHZJN-UHFFFAOYSA-N 313.361 2.017 0 40 DEAB Cn1nc(C(=O)Nc2nc(-c3ccccc3)cs2)ccc1=O 9337180 PWGCKKUAZMNDMH-UHFFFAOYSA-N 312.354 2.156 0 40 DEAB COc1ccc(CN(Cc2ccco2)S(=O)(=O)N(C)C)cc1 6669950 XTSLYRUFNHKYCV-UHFFFAOYSA-N 324.402 2.097 0 40 DEAB Cc1cc(OC[C@H](O)CN(C)CCO)c(C(C)C)cc1Cl 6938881 FCJQUICJQYGJKP-CYBMUJFWSA-N 315.841 2.436 0 40 DEAB O=C(CN1CCC(CN2CCCC2)CC1)NC(C1CC1)C1CC1 71797102 ZXPUZZBVZHDJIX-UHFFFAOYSA-N 319.493 2.099 0 40 DEAB C[C@H](NC(=O)CSc1nnc(N)s1)c1cccs1 7535316 POLXQPOQQVBQER-LURJTMIESA-N 300.434 2.151 0 40 DEAB Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CC[C@@H](OCC(C)C)C1 96468374 KUMKHBMEGCKWGH-CYBMUJFWSA-N 321.421 2.089 0 40 DEAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccn1 7734572 SOLASBIFMMJXCK-UHFFFAOYSA-N 322.368 2.369 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCc2ccccc2F)cc1 7889042 CQSVACOJYAIEOF-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB O=C(NCCc1ccccc1)N1CCCC[C@@H]1C1OCCO1 69222005 OLBHXMRKEZLOIL-OAHLLOKOSA-N 304.390 2.166 0 40 DEAB Cc1cc(C)n(C2CN(C[C@@H](O)c3cc(F)ccc3F)C2)n1 71880753 ZAQAWHJGEXCRHI-MRXNPFEDSA-N 307.344 2.368 0 40 DEAB NC(=O)NC(=O)CCSc1ccccc1Br 71843732 NQOJMNVBOOKIGI-UHFFFAOYSA-N 303.181 2.126 0 40 DEAB Cc1cc(C[S@](=O)[C@H](C)C(=O)NCC2CCCCC2)no1 71859247 KGXXLVTWHVNTJB-XUSGNXJCSA-N 312.435 2.317 0 40 DEAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 69742049 UJIVCPSSDHEKAU-AWEZNQCLSA-N 313.357 2.398 0 40 DEAB Cc1nc(C)n(C[C@@H](O)CO[C@@H]2CCCc3ccccc32)n1 92197523 JCFDQZMLSIYLTH-NVXWUHKLSA-N 301.390 2.350 0 40 DEAB Nc1ccc(CN2CCN(c3cc(F)ccc3F)CC2)cn1 97095760 CRBPJHREEMJVEM-UHFFFAOYSA-N 304.344 2.264 0 40 DEAB Cc1cccc(-n2nnnc2S[C@H](C)C(=O)N2CCCC2)c1 8707193 DLPABWZPINBZRV-GFCCVEGCSA-N 317.418 2.074 0 40 DEAB COc1ccc([C@@H]2C[C@H](C)N(c3nc(N)nc4[nH]cnc34)C2)cc1 97115347 WKYBQQZNBPQLSY-CMPLNLGQSA-N 324.388 2.326 0 40 DEAB O=c1ccnc2sc(N3CC[C@@H]3c3ccccc3F)nn12 72313859 WZIOYHBCUXTTGR-LLVKDONJSA-N 302.334 2.242 0 40 DEAB Cc1ccc(CN(CCO)C(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1 97370734 MUEWYQXYIOOGRX-HUUCEWRRSA-N 320.433 2.455 0 40 DEAB Nc1nc(N2CCC(OCc3ccccc3)CC2)c2nc[nH]c2n1 95363926 KCSYUKVGTXPTCY-UHFFFAOYSA-N 324.388 2.121 0 40 DEAB CC1CCN(c2ccc(C(=O)N[C@@](C)(CO)C3CC3)cn2)CC1 84699984 UFQKEKWSENRQLY-SFHVURJKSA-N 317.433 2.209 0 40 DEAB Cc1ccc(C)c(C(=O)N[C@@H]2CCN(C(=O)c3ccccn3)C2)c1 95429894 VZJSEPQQTGIJPY-OAHLLOKOSA-N 323.396 2.343 0 40 DEAB O=S(=O)(NC[C@H]1CCC[C@@H]1O)c1cccc2ccccc12 95441177 BAPWNNZDNUTWMQ-HIFRSBDPSA-N 305.399 2.279 0 40 DEAB CC(C)(C)c1ncc(NC(=O)N2CC[S@](=O)C(C)(C)C2)cn1 95418117 LEGJQUIEXFGLCJ-JOCHJYFZSA-N 324.450 2.149 0 40 DEAB Cn1cc(N2CCC[C@H](NC(=O)Nc3cccc(F)c3)C2)cn1 98014208 HMLNKSXATUIFIY-AWEZNQCLSA-N 317.368 2.350 0 40 DEAB CNC(=O)[C@@H](C)NC(=O)c1ccc(OC2CCCCC2)cc1 95964155 XMRYNXXTCYNHIB-GFCCVEGCSA-N 304.390 2.262 0 40 DEAB CCS[C@@H]1CC[C@]1(O)CNC(=O)Cc1noc2ccccc12 75093465 ZOZBWKLWFPGIBZ-ZBFHGGJFSA-N 320.414 2.133 0 40 DEAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)NCC1(O)CCSCC1 75121257 RZNSDVFXMDXSTB-CABCVRRESA-N 305.443 2.473 0 40 DEAB CO[C@H]1C[C@H](N(C)c2ncnc3c2nnn3C(C)C)C12CCC2 1550625861 RSCSECGXPIAMFY-RYUDHWBXSA-N 316.409 2.196 0 40 DEAB NC(=O)c1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 30946004 KKZNGCCHYODABF-UHFFFAOYSA-N 320.352 2.283 0 40 DEAB O=C(C[C@H]1CC2(CCNCC2)Oc2ccccc21)NC1CC1 306137884 RJCWDPVCBKGTBA-ZDUSSCGKSA-N 300.402 2.344 0 40 DEAB N[C@H](Cc1c[nH]cn1)c1nc2cc(Br)ccc2[nH]1 37441195 FFWOIROWJNNAJP-SECBINFHSA-N 306.167 2.291 0 40 DEAB CNC(=O)c1ccc(N[C@H](C)[C@@H](O)c2ccc(Cl)cc2)nn1 74769007 KNLFKBHKAZNOKQ-YMTOWFKASA-N 320.780 2.024 0 40 DEAB COc1cc(CNC(=O)C[C@H]2OCCc3ccccc32)ccn1 79356670 IJIRBBIBIOAVDA-MRXNPFEDSA-N 312.369 2.411 0 40 DEAB CCc1nccn1-c1cccc([C@@H]2CCCN2C(=O)COC)n1 72378905 OOGITGADTHYWBT-AWEZNQCLSA-N 314.389 2.140 0 40 DEAB COCCS(=O)(=O)Cc1ccc(OCC(F)(F)F)cc1 77601586 BWISVEABVBHZAH-UHFFFAOYSA-N 312.309 2.189 0 40 DEAB C[C@H](O)CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 30768765 FANUFVJFADXNSO-YFKPBYRVSA-N 318.609 2.306 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cc2cc(F)ccc2n1C)C(C)C 72404897 ZISOPEDWKXPCLS-AWEZNQCLSA-N 306.337 2.245 0 40 DEAB CC(C)c1nc2ccc(NC(=O)c3ccc4nnnn4c3)cc2[nH]1 79475895 SCISALRVLUJCPQ-UHFFFAOYSA-N 321.344 2.376 0 40 DEAB O=C1CCCc2c1cc(C(=O)O)c(=O)n2-c1ccc(F)cc1 49452921 YHVILACXPAMVGO-UHFFFAOYSA-N 301.273 2.194 0 40 DEAB CCC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NCC 217411485 DYQMBUFOTZQSBR-SNVBAGLBSA-N 314.407 2.284 0 40 DEAB O=C(Cc1ccc(-c2nn3cnnc3s2)cc1)N1CCCC1 41126892 PJGFRRBIKOOVLC-UHFFFAOYSA-N 313.386 2.018 0 40 DEAB c1ccc2c(c1)NCCC[C@H]2NC[C@@H]1COC2(CCOCC2)O1 193107912 ILYASXAJKXQGRL-RHSMWYFYSA-N 318.417 2.445 0 40 DEAB COC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1 224676940 LDHWTLJYYQKIJD-UHFFFAOYSA-N 305.355 2.298 0 40 DEAB CCOC(=O)c1cc2cnn(-c3ccc(F)cc3)c2[nH]c1=O 225810668 UYAYPXQEQYGFHC-UHFFFAOYSA-N 301.277 2.030 0 40 DEAB CCC[C@@H](C)NC(=O)c1cccc(N(C)S(=O)(=O)CC)c1 225968516 KNQPLBSDESMZDW-GFCCVEGCSA-N 312.435 2.391 0 40 DEAB O=[S@](Cc1ccc(-n2cccn2)cc1)c1n[nH]c(C2CC2)n1 195562655 UHVOSJPTXKFVFT-JOCHJYFZSA-N 313.386 2.176 0 40 DEAB COc1ccc(CC(=O)Nc2c(C)nc(OC)nc2C)cc1 224338585 FITFHYYCIUFSEK-UHFFFAOYSA-N 301.346 2.292 0 40 DEAB CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCC(F)F)cc1 225459521 FAAMFXDZZZKHMR-VIFPVBQESA-N 320.361 2.106 0 40 DEAB COC(=O)c1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 149723600 HHAKPHFNFZFCDR-UHFFFAOYSA-N 302.721 2.443 0 40 DEAB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)c1cccnc1)COC3 96112428 UNNUVGNWFFQUCV-AWEZNQCLSA-N 322.368 2.241 0 40 DEAB biogenic,in-vitro O=C(COc1ccccc1F)Nc1cnn([C@H]2CCOC2)c1 96123079 IKLQKHXEDBLCFV-LBPRGKRZSA-N 305.309 2.001 0 40 DEAB c1csc(CN2CCC3(CC2)CC(N2CCCC2)=NO3)n1 96240291 CYVBIYCUUOEAFU-UHFFFAOYSA-N 306.435 2.307 0 40 DEAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)s1 257228679 FUVCBOXXMNCNCI-GFCCVEGCSA-N 317.414 2.170 0 40 DEAB Cc1cccc2nc(C(=O)N3CC[C@@]4(C)C[C@H](O)CC[C@@H]34)cn12 257301727 RZQOUKJXYQTTDJ-SIIHOXLZSA-N 313.401 2.408 0 40 DEAB CCOC(=O)c1cc(CN2CCCCC2)c2ccccn2c1=O 255190269 WATZDALTIZGDBI-UHFFFAOYSA-N 314.385 2.462 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)CCc2nccs2)c2ccccc21 262861942 ZOQRONLLMDASPU-LLVKDONJSA-N 302.355 2.291 0 40 DEAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1ccc2nsnc2c1 96123149 WTLZIVHQXGTQBJ-NSHDSACASA-N 315.358 2.102 0 40 DEAB CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 102709072 DASBYGHZHPNTTL-MJVIPROJSA-N 306.387 2.209 0 40 DEAB CC(C)CCNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439015 MXDLREFSCBDNIT-UHFFFAOYSA-N 324.446 2.393 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)c2ccccc2F)c2ccccc2O1 13434764 LIWNEQWKXAEQMH-AWEZNQCLSA-N 301.273 2.318 0 40 DEAB CC[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)CC 13583947 AQBNJKWGCBSTOC-GFCCVEGCSA-N 324.446 2.317 0 40 DEAB O=C1N[C@@H](c2cccs2)N2C(=O)N[C@H](c3cccs3)N12 17004189 LTJCUQVZDYZPDX-AOOOYVTPSA-N 306.372 2.472 0 40 DEAB Cc1cc(O[C@@H]2CCN(C(=O)c3ccsc3)C2)cc(=O)o1 206962949 PYNVBHSUNWHJTN-GFCCVEGCSA-N 305.355 2.303 0 40 DEAB CC(C)NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6087227 YXPONTDRYUXAAS-UHFFFAOYSA-N 314.172 2.228 0 40 DEAB CC1=NN(c2cccc(Br)c2)C(=O)[C@@H]1CC(=O)O 35778613 BVFFCOHQCJERCM-SNVBAGLBSA-N 311.135 2.263 0 40 DEAB in-vitro CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 6430182 VLDMVZUAFYMDBC-UHFFFAOYSA-N 318.826 2.072 0 40 DEAB Cc1nc(C(=O)Nc2nnc(C)s2)cc(C(F)(F)F)n1 1888844264 MXSXPFJVLFAAMK-UHFFFAOYSA-N 303.269 2.216 0 40 DEAB CN1CCCC[C@]2(CN(Cc3cc(F)ccc3F)CCO2)C1=O 2037983627 ATAMHUCVEISSJB-KRWDZBQOSA-N 324.371 2.178 0 40 DEAB O=C(C1CC(F)(F)C1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1075671255 AGXLSAGTQXMQIU-DZGCQCFKSA-N 321.371 2.160 0 40 DEAB Cc1nc2ccccn2c(=O)c1NC(=O)Cc1ccc(F)cc1 16975773 DPPXJPBEFIYGTF-UHFFFAOYSA-N 311.316 2.323 0 40 DEAB COc1cnccc1C(=O)N1CCCC2(CCN(C)CC2)C1 2055785294 ADBPLEGXQWCEEA-UHFFFAOYSA-N 303.406 2.038 0 40 DEAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)[C@@H]1CCOC1 575611329 UTENDKHFFQQDOZ-PWSUYJOCSA-N 307.371 2.194 0 40 DEAB Cn1cnnc1C1CCN(C(=O)CCc2cccs2)CC1 30858007 ZUBNCBZBSXROCQ-UHFFFAOYSA-N 304.419 2.215 0 40 DEAB COCc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C=C(C)N2 100857885 GXLGOIHTGOJYHE-LBPRGKRZSA-N 316.361 2.360 0 40 DEAB Cc1ccc2ncn(CC(=O)N(C(C)C)C(C)C)c(=O)c2c1 40538866 XVIPGSHMHIDOIL-UHFFFAOYSA-N 301.390 2.350 0 40 DEAB Cc1ncsc1C(=O)NCCc1ccc2c(c1)OCCO2 40529060 MJNOFHSNXCWKNF-UHFFFAOYSA-N 304.371 2.195 0 40 DEAB C[C@H](Nc1c(NCc2ccccn2)c(=O)c1=O)c1ccccc1 101698922 SFNZWHCHWRPYHE-LBPRGKRZSA-N 307.353 2.463 0 40 DEAB Cc1cc2ncn(CC(=O)Nc3ccc(C(N)=O)cc3)c2cc1C 32958150 SMPWUANWFZRYPO-UHFFFAOYSA-N 322.368 2.391 0 40 DEAB CCCCCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 32906452 DQVQNSGBXCQMQB-UHFFFAOYSA-N 318.417 2.356 0 40 DEAB Cc1ccc(C(=O)NCC(=O)Nc2ccnn2C(C)C)cc1 22290154 IHXQZYLGODHVMK-UHFFFAOYSA-N 300.362 2.141 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccsc1 22536759 PQLFYSSCUUENMZ-UHFFFAOYSA-N 301.367 2.490 0 40 DEAB CCOc1ccc(Cl)c(C(=O)N2C[C@H](C)[C@H](N(C)C)C2)n1 78896502 QIMYWNATLFJALR-CMPLNLGQSA-N 311.813 2.156 0 40 DEAB CC(C)CN(C(=O)CNC(=O)Cc1cccc(F)c1)C1CC1 78806305 CJGORZNPIXMUHE-UHFFFAOYSA-N 306.381 2.131 0 40 DEAB Cc1c(C(=O)Nc2nc[nH]n2)cnn1-c1ccc(Cl)cc1 23140986 RHBVHRFGILUUGJ-UHFFFAOYSA-N 302.725 2.205 0 40 DEAB CC(C)N(Cc1ccccn1)C(=O)Cn1nnc2ccccc21 54300444 GTBPSVNLKCOIIH-UHFFFAOYSA-N 309.373 2.264 0 40 DEAB Cc1nn(C)cc1CN(C)C(=O)[C@@H](C)n1ncc(Cl)c1C 2777712 XSQPSVLPIZTJRA-LLVKDONJSA-N 309.801 2.106 0 40 DEAB O=C(O)c1ccccc1OC[C@@H](O)Cn1cnc2ccccc21 4905100 VJNQOOSCWTVZNK-LBPRGKRZSA-N 312.325 2.174 0 40 DEAB Cc1ccc(-n2nnc(C(=O)N3CCCC3)c2N)cc1Cl 4984786 HECKITYMHVJMPJ-UHFFFAOYSA-N 305.769 2.047 0 40 DEAB Cn1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)n1 24473361 PMZPHMAIBKQDCP-JTQLQIEISA-N 318.764 2.065 0 40 DEAB CCOc1ccc(OC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 43006177 TVOJUYFMEPQZHA-XJKSGUPXSA-N 321.398 2.445 0 40 DEAB Cc1cccc(CN2CCN(C(=O)Nc3nncs3)CC2)c1 43137013 DTGPFTSEFUUZSF-UHFFFAOYSA-N 317.418 2.196 0 40 DEAB O=C(c1ccoc1)N1CCN(c2ncnc3ccsc23)CC1 26715883 TVPOEWVAVIRQKL-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB CCNc1cc2c(nn1)CCN(C(=O)[C@H]1C[C@@H]1c1ccco1)C2 75129166 GGEWSCAFIAPLSP-STQMWFEESA-N 312.373 2.190 0 40 DEAB C[C@@H]1NC(=O)N(C[C@@H](c2cccc(Cl)c2)N2CCCC2)C1=O 48278842 GOILWCPFVKQDID-FZMZJTMJSA-N 321.808 2.417 0 40 DEAB NC(=O)[C@@H](NC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccccc1 10268528 PZLFLWXAGOPMJE-INIZCTEOSA-N 320.352 2.033 0 40 DEAB O=C(Cc1ccc(Cl)cc1)NCCCCN1CCOCC1 48286766 SVYLPWBOBOXPBK-UHFFFAOYSA-N 310.825 2.111 0 40 DEAB Cc1ncc2c(n1)CCN(Cc1nc(Cc3ccccc3)no1)C2 44937782 GVKCRHRIKSXIOL-UHFFFAOYSA-N 321.384 2.317 0 40 DEAB CCn1c(C)nnc1SCC(=O)NCc1ccccc1OC 58332730 FCPZRYJTOUMMDR-UHFFFAOYSA-N 320.418 2.024 0 40 DEAB COCCC1(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CCC1 89755444 UHUZTAFMRBRHBQ-CQSZACIVSA-N 305.422 2.018 0 40 DEAB O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc(C2CC2)on1 89764805 FDGCHMUWTCNOMI-UHFFFAOYSA-N 317.389 2.121 0 40 DEAB CC(=O)c1c(SCC(=O)Nc2ccccc2)nc(=O)[nH]c1C 10913993 HSTLDCVLGXAOAL-UHFFFAOYSA-N 317.370 2.012 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 58902648 KYAAPAACKFCXIL-NSHDSACASA-N 316.382 2.098 0 40 DEAB Cc1ccc(N2C(=O)C[C@H](SC3=NCCS3)C2=O)cc1 59431864 KKKIIXOFSCHQIX-NSHDSACASA-N 306.412 2.463 0 40 DEAB CC(C)C(=O)N1CCCN(Cc2ccccc2N(C)C)CC1 75712151 DSAYHMGQSAUBNO-UHFFFAOYSA-N 303.450 2.443 0 40 DEAB O=C1CN(Cc2nnc(-c3cccs3)o2)[C@H]2CCCC[C@H]2N1 89800091 LZBFFWZWFQZONA-MNOVXSKESA-N 318.402 2.041 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)N[C@@H]2CCCC[C@H]2C)c1 13084274 BGMOYRKTMXRTJN-BXUZGUMPSA-N 321.373 2.467 0 40 DEAB COc1ccccc1CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 13737119 GKRNGMBBPQXUCW-ZIAGYGMSSA-N 303.358 2.021 0 40 DEAB CCn1cnnc1CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 65423365 FYFKXMDZIMDDAK-WCQYABFASA-N 302.378 2.263 0 40 DEAB CCc1ccc([C@@H](C)NC(=O)COn2nnc3ccccc32)cc1 5404439 OBYUURUSKYZNIM-CYBMUJFWSA-N 324.384 2.300 0 40 DEAB O=S(=O)(NCCNCc1ccco1)c1cccc(Cl)c1 65978243 VSDFRAJMHBNNKU-UHFFFAOYSA-N 314.794 2.001 0 40 DEAB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1C1CC1 5962212 SODXIPITZYJQGQ-UHFFFAOYSA-N 314.341 2.113 0 40 DEAB C[C@H](CNC(=O)CCc1cnn(C)c1)Oc1ccc(F)cc1 96431498 KSFDHKYOKPVNIV-GFCCVEGCSA-N 305.353 2.076 0 40 DEAB O=C([C@@H]1CCCOC1)N1CCN(c2cc(F)ccc2F)CC1 96456101 WZPBRJMMONNOFV-GFCCVEGCSA-N 310.344 2.040 0 40 DEAB O=C1O[C@@H](C(=O)NCCc2ccccc2F)Cc2ccccc21 7988229 ZKJRWQMSKZMDFI-MRXNPFEDSA-N 313.328 2.266 0 40 DEAB COc1ccc(S[C@@H](C)C(=O)N2CCOCC2)cc1OC 20106649 AMYRQWDBSXXGFE-NSHDSACASA-N 311.403 2.043 0 40 DEAB C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)N(C)Cc1ccccc1 8142098 ZTMCKNNXLILEDB-GFCCVEGCSA-N 324.384 2.315 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCCCCn2ccnc2)C12CCC2 84800794 KGSMIVOKMFVOPF-CABCVRRESA-N 320.437 2.310 0 40 DEAB O=C(Nc1ccc(Cn2cccn2)cc1)N1CCC(CO)CC1 69187132 VREUGJPODIHYSA-UHFFFAOYSA-N 314.389 2.168 0 40 DEAB Cc1nc2c(c(=O)[nH]1)[C@H](c1c(F)cccc1Cl)CC(=O)N2 17028663 RZEZTGNNLRKNJC-ZETCQYMHSA-N 307.712 2.345 0 40 DEAB CC(C)(CNC(=O)c1cnn[nH]1)c1cccc(Br)c1 69510417 ATESXGIHIIHGEH-UHFFFAOYSA-N 323.194 2.275 0 40 DEAB CCc1noc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)n1 71817231 GZDGAAAZYLONFO-UHFFFAOYSA-N 314.267 2.133 0 40 DEAB CCCC(=O)N1CCCC[C@H]1C(=O)N=c1[nH]c2ccccc2[nH]1 71999860 PNORSTYFYAATJQ-AWEZNQCLSA-N 314.389 2.105 0 40 DEAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC2 8718437 HVHOCMHYLVBZQT-UHFFFAOYSA-N 305.403 2.326 0 40 DEAB Cc1ccc(-n2c(SCCO)nnc2N2CCCC2)cc1 8728427 KFKQAVBKSFJOPW-UHFFFAOYSA-N 304.419 2.260 0 40 DEAB CNS(=O)(=O)CCCN1C[C@H](C)C[C@H]1c1cccc(F)c1 76089594 PLJONMZHZSNIIQ-DOMZBBRYSA-N 314.426 2.148 0 40 DEAB COc1ncccc1C(=O)Nc1nnc(-c2ccc(C)s2)[nH]1 72285286 YAGZZCSUYGNKQW-UHFFFAOYSA-N 315.358 2.498 0 40 DEAB CCOC(=O)c1cccnc1N1CCC(n2cccn2)CC1 97140668 QNMAQUCLTSMXIL-UHFFFAOYSA-N 300.362 2.296 0 40 DEAB Cc1cc(Br)ccc1CC(=O)NC[C@@H](C)CCO 95995270 VYTMNQHLRIYDFE-JTQLQIEISA-N 314.223 2.435 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)NCCCC(=O)OC(C)C)c1C 95943243 WMUADXYJVGATMW-UHFFFAOYSA-N 308.378 2.296 0 40 DEAB CCC1(CO)CCN(C(=O)Nc2ccc(C)nc2N(C)C)CC1 95978367 HNZRMRVPTBNIEW-UHFFFAOYSA-N 320.437 2.472 0 40 DEAB COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2)c1 63146369 REAMVOGLFSLYBV-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB Cc1cccc(N2CCN(Cc3nnnn3C(C)C)CC2)c1C 35290665 GOQJEXUFSFXXQV-UHFFFAOYSA-N 314.437 2.193 0 40 DEAB C[C@@H]1CN(C)C[C@H](c2nc(COc3ccccc3F)no2)O1 527542913 IEBOWSBZIQBUGD-ZWNOBZJWSA-N 307.325 2.179 0 40 DEAB CS(=O)(=O)CCC(=O)Nc1cccc(N2CCCCCC2)c1 76372495 ARZKAJYSKIJZGC-UHFFFAOYSA-N 324.446 2.440 0 40 DEAB CCN(CC)c1nc(C)cc(C(=O)Nc2ccn(CC)n2)n1 71195380 AELRLMSSWPVGEB-UHFFFAOYSA-N 302.382 2.100 0 40 DEAB COc1ccccc1[C@H](NC(=O)[C@@H](C)SC)c1nccn1C 42855611 WVBBCVZACIOOTI-RISCZKNCSA-N 319.430 2.386 0 40 DEAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccnc1N(C)C 42848948 RAXHHFTXGPRUHT-UHFFFAOYSA-N 313.357 2.149 0 40 DEAB CSc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 39989315 NGRIMQNXSQNXPM-SECBINFHSA-N 309.372 2.039 0 40 DEAB O=c1c2c(nc(N3CCOCC3)n1C1CCCCC1)CCC2 32604026 LCHNBLVJGRUCDG-UHFFFAOYSA-N 303.406 2.074 0 40 DEAB CCCNc1ccc(C(=O)O)cc1S(=O)(=O)NCC(C)C 217422286 GHXHTLUUVFSSGN-UHFFFAOYSA-N 314.407 2.141 0 40 DEAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccon2)C1=O 76423374 CHNBNEMDNMMMDT-MRXNPFEDSA-N 311.297 2.388 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(CC3(O)CCCCC3)C2)n1 69697888 FSJBBQGRSNIDCW-INIZCTEOSA-N 306.454 2.302 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccco1)c1ccncc1 72238366 XWOGFUMVHHRPBT-WFASDCNBSA-N 313.357 2.043 0 40 DEAB CN(CCCc1ccccc1)CC(=O)NC(=O)NC(C)(C)C 40105860 QMWYKEAIKPGMFH-UHFFFAOYSA-N 305.422 2.175 0 40 DEAB C[C@@H]1CN(CCS(=O)(=O)c2ccc(Cl)cc2)[C@H](C)CO1 45784787 IBVZXKSENKSYBK-VXGBXAGGSA-N 317.838 2.223 0 40 DEAB CC(C)C(=O)N1CCN(C(=O)c2nc3ccccc3s2)CC1 226753043 DKLRHBGRMSJNLD-UHFFFAOYSA-N 317.414 2.237 0 40 DEAB CCCN(CCc1ccccn1)C(=O)NC1CCC(O)CC1 69737731 SPJPWJGURVYSCB-UHFFFAOYSA-N 305.422 2.349 0 40 DEAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC[C@@H]1CCCO1 222749625 JOBMMGWRAGQBBX-ZBFHGGJFSA-N 318.417 2.109 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](C)[C@H]2C(=O)OC(C)(C)C)ncn1 573558702 TUFFONOJQNPREC-RISCZKNCSA-N 319.405 2.367 0 40 DEAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)N(C)C)CC1)O2 225817220 YRRIOEKVEQADGI-UHFFFAOYSA-N 302.374 2.476 0 40 DEAB O=C(Cc1cccs1)N1CCC[C@H](Oc2cnccn2)C1 225470173 QOOMQJRWFSCLKG-LBPRGKRZSA-N 303.387 2.151 0 40 DEAB O=C(NCCc1nc(C2CC2)cs1)N1CC[C@]2(CCOC2)C1 95410619 NLPVSRJFWWNJNC-INIZCTEOSA-N 321.446 2.385 0 40 DEAB CC(C)COC[C@H](C)NC(=O)NC[C@](C)(O)c1cccs1 96417707 AMMOZZHQEMNCMD-WFASDCNBSA-N 314.451 2.316 0 40 DEAB O=C(c1cc2cc(F)ccc2o1)N1CC[C@@H](N2CCCC2=O)C1 579185860 WOAJCMUNAKMANF-CYBMUJFWSA-N 316.332 2.409 0 40 DEAB C[C@@H](C(=O)NC1CCN(c2cccc(F)c2)CC1)n1cccn1 96413873 NGFYBVFDTIMOHK-ZDUSSCGKSA-N 316.380 2.368 0 40 DEAB CC[C@H](C)Oc1cc(C(=O)N(C)C[C@@H]2CCN(C)C2)ccn1 96495031 DRGAGJKNOGQFOO-UONOGXRCSA-N 305.422 2.283 0 40 DEAB O=C1C[C@H](c2ccncc2)C2(CCN(Cc3cccnc3)CC2)N1 96061551 SVZYFELSPCFHAS-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)c1cc(C(N)=O)cs1 96426699 OCPNBSKYMPITDH-QMMMGPOBSA-N 322.361 2.486 0 40 DEAB CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)C(C)C)CC2 96146979 PLZASFQKSNEVNE-UHFFFAOYSA-N 323.462 2.112 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)CN1CCCOC1=O 96460729 SOBUDSJVLXQOAG-UHFFFAOYSA-N 314.744 2.280 0 40 DEAB COc1ccc(N2CCC(C(=O)Nc3ccccc3)CC2)nn1 95477749 NPXAIJWDQWVXLW-UHFFFAOYSA-N 312.373 2.340 0 40 DEAB CC1(C)C[C@@H](NCc2cccnc2N2CCOCC2)C(C)(C)O1 96476570 WNVJWXRLWMJNGV-OAHLLOKOSA-N 319.449 2.354 0 40 DEAB C[C@@H](C(=O)N1CCCC1)n1cc(COc2ccccc2)nn1 257173422 MOKNKGRQOMMCHG-ZDUSSCGKSA-N 300.362 2.041 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1 26543575 DMJDQDVFTSLMOS-UHFFFAOYSA-N 319.338 2.121 0 40 DEAB Cc1cc(C)cc(CN(C)C[C@@H]2CCN(S(C)(=O)=O)C2)c1 252500613 SZEAFGODZOWXHM-HNNXBMFYSA-N 310.463 2.017 0 40 DEAB Cc1cc(C(=O)NCC[C@@H](O)c2ccc3c(c2)OCO3)c(C)o1 85560660 UVMRLNHHDOYJAO-CQSZACIVSA-N 317.341 2.479 0 40 DEAB Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)O)c1 263030957 QVLAYBWOZIQFHT-MKBNYLNASA-N 321.348 2.225 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(-n3cnnc3)cc2)CCC1(F)F 291068784 YMHQDHAIDAZQTE-NSHDSACASA-N 306.316 2.385 0 40 DEAB CN(CC(=O)N1CCC[C@H]1c1cnn(C)c1)Cc1ccccc1 71796579 ZIJSPXVVJDVGHW-KRWDZBQOSA-N 312.417 2.216 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2cnc(C)s2)c(C)nn1C 72234443 NPFFCMLBYOVFMQ-NSHDSACASA-N 320.418 2.479 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(Br)cc2O)CCO1 44490250 CBJQHWDZIJWDIL-MRVPVSSYSA-N 300.152 2.016 0 40 DEAB C[C@H]1CC[C@@H](CCC(=O)Nc2cccc(-c3nnn[nH]3)c2)O1 75189494 RLUJJSXGAQCXRL-GWCFXTLKSA-N 301.350 2.153 0 40 DEAB CC[C@H](NC(=O)c1ccc(F)c(Br)c1)C(=O)OC 84279553 ZLXDSKABMSLFER-JTQLQIEISA-N 318.142 2.270 0 40 DEAB Cc1occc1-c1nc(N2CCOCC2)ncc1-c1cnccn1 12739230 HIRVOLILOHIYCF-UHFFFAOYSA-N 323.356 2.339 0 40 DEAB Cc1ccccc1NC(=O)C[C@@H]1CSc2nccc(=O)n21 14031105 DPSPTODIMQXCME-LLVKDONJSA-N 301.371 2.227 0 40 DEAB Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1 16362937 WJSKJTFYQDHXCH-UHFFFAOYSA-N 318.398 2.254 0 40 DEAB CCOC(=O)C1CCN(C(=O)NCCc2ccccc2)CC1 17115820 MXHPGLOLKJHRJH-UHFFFAOYSA-N 304.390 2.214 0 40 DEAB Cc1cnccc1CCNC(=O)N1CC[C@H](OCC(C)C)C1 164056407 AYLWRZQRLASKNC-INIZCTEOSA-N 305.422 2.389 0 40 DEAB COC(=O)CCCC(=O)N1C[C@H](C)CN(C)c2ccccc21 157604348 YJRAWUIPWKTXCD-CYBMUJFWSA-N 304.390 2.449 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)sc1C 101939794 FFSFLTYXMYCXSB-MNXVOIDGSA-N 315.460 2.050 0 40 DEAB Cc1noc(C)c1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 5181969 ZEEQJUHFQJMTAG-JTQLQIEISA-N 313.313 2.446 0 40 DEAB CC(C)NC(=O)CNC(=O)c1csc(-c2ccsc2)n1 7116349 YBHRQSNWKGZWFY-UHFFFAOYSA-N 309.416 2.126 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)Cc1ccc(-n2cccc2)cc1 24482422 QJHMOHXEECNKJQ-UHFFFAOYSA-N 308.385 2.412 0 40 DEAB COC(C)(C)C(=O)N1CCC[C@](COc2ccccc2)(OC)C1 2037905641 USJXYXXFAFLYJN-SFHVURJKSA-N 321.417 2.498 0 40 DEAB COC(=O)[C@](O)(c1cc(C)c2cccnc2c1O)C(F)(F)F 2503788 UABGJLNNECVHNJ-CYBMUJFWSA-N 315.247 2.172 0 40 DEAB CC(C)c1nccc(N2CCN(Cc3cnn(C)c3)[C@H](C)C2)n1 2298031354 LXZVFXIZZRDYBL-CQSZACIVSA-N 314.437 2.044 0 40 DEAB CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(Cl)cc1C 11566184 NLFCSPCNCHLHQL-MRVPVSSYSA-N 312.218 2.351 0 40 DEAB O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)OCCO2 5392774 NPZKLUFFWJNLAH-UHFFFAOYSA-N 305.355 2.400 0 40 DEAB COC(=O)/C=C(\C(=O)OC)N1N=C(C)C[C@H]1c1ccccc1 100219279 LQLSMMBPRMJIJI-LFGHMXSPSA-N 302.330 2.039 0 40 DEAB O=C(O)c1ccc(Cl)c(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 101154419 OOAQNSGOQMNMLB-GYBADROVSA-N 317.728 2.350 0 40 DEAB COc1cccc(CN(C)Cc2ccn(C)c(=O)c2)c1OC 51475203 GWWKWMLMEZFQJP-UHFFFAOYSA-N 302.374 2.035 0 40 DEAB CC1CCC(NC(=O)CSc2nc([C@@H]3CCCO3)n[nH]2)CC1 32883937 YRPWOPPEGWASRS-MCIGGMRASA-N 324.450 2.443 0 40 DEAB CCOc1cc(C(=O)O)cc(I)c1OC 479877 ABXXMWQVGJATSP-UHFFFAOYSA-N 322.098 2.397 0 40 DEAB C[C@H]1[C@@H](OC(=O)CCSc2nnnn2C)C[C@H]2C[C@H]1C2(C)C 103756976 GPMOFERKGSPPJA-KKOKHZNYSA-N 324.450 2.306 0 40 DEAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1cccc[n+]1[O-] 47297882 BSZILJRSBVTARI-KRWDZBQOSA-N 305.337 2.234 0 40 DEAB Cc1cccc(O[C@H](C)CNC(=O)CCc2nc(C)no2)c1 78877662 STJDGWKUMUBDTE-GFCCVEGCSA-N 303.362 2.203 0 40 DEAB COc1cccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 23078581 XGKTZZRWWVRUPY-IUODEOHRSA-N 306.387 2.088 0 40 DEAB CC(C)N1C(=O)[C@](O)([C@H]2COC(C)(C)CC2=O)c2ccccc21 970738 PHAVBHADAXXCAF-SCLBCKFNSA-N 317.385 2.013 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[C@H]2CC[C@@H]1C2 4030796 XNCHKOACOVXTQK-LOWVWBTDSA-N 308.403 2.017 0 40 DEAB COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(C)n1C 23751858 OSICQFJGKKIGIJ-UHFFFAOYSA-N 318.373 2.289 0 40 DEAB CCOC(=O)C[C@H](c1ccccc1)c1c(O)cc(C)[nH]c1=O 72326165 AYIUBQVKFCGSDQ-CYBMUJFWSA-N 301.342 2.474 0 40 DEAB biogenic Cc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)OCO3)n(C)n1 43432600 IIBLFPAYIJCULF-SNVBAGLBSA-N 302.334 2.340 0 40 DEAB CCOc1ccccc1C(=O)NC1CCN(C(=O)C(C)C)CC1 25247410 ZEFCLUFLOLTWGE-UHFFFAOYSA-N 318.417 2.462 0 40 DEAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N2CCCN=C2S1 1424601 AYGACNBPUBQQSD-NSHDSACASA-N 323.805 2.372 0 40 DEAB CN(C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nncs1 48050351 WGZQLACOKCVJDG-UHFFFAOYSA-N 323.397 2.273 0 40 DEAB COc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 9689793 LJQJUMFUIHNNFW-UHFFFAOYSA-N 309.325 2.113 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](C(N)=O)C1 57913996 XKNLJODPTUSRKU-OAHLLOKOSA-N 323.396 2.395 0 40 DEAB Cc1ccc(CN(CC(=O)N2CCO[C@H](C)C2)C2CC2)cc1 58015418 UNLKPMBSGMXPRI-OAHLLOKOSA-N 302.418 2.207 0 40 DEAB COC(=O)C[C@H](C(=O)OC)c1ccc(Br)cc1 57351445 ZLHNNMQIYVSBBL-JTQLQIEISA-N 301.136 2.269 0 40 DEAB OCCN1CCN(Cc2ncc(-c3cccc(Cl)c3)o2)CC1 58140739 UKICYALBOOXVOI-UHFFFAOYSA-N 321.808 2.105 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NC1=NCCS1 44872214 YPNQNDHTPXMJMB-CQSZACIVSA-N 315.398 2.170 0 40 DEAB Cc1nc(COc2ccccc2)sc1C(=O)NCCN(C)C 36107964 NEZWTWPUTBKMPO-UHFFFAOYSA-N 319.430 2.322 0 40 DEAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cnc3ccccc3c1)CCO2 107720084 APYQUHYKMLWAKU-BRWVUGGUSA-N 312.369 2.253 0 40 DEAB Cc1cc(OC[C@@H](O)CNC[C@H](C)O)c(C(C)C)cc1Cl 2624426 MJTYNDUNVLZFHV-STQMWFEESA-N 315.841 2.482 0 40 DEAB Cc1c(Br)c(C(=O)N2CCC[C@H](C)C2)nn1C 2777768 KLSYMPPDXALFCJ-QMMMGPOBSA-N 300.200 2.363 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)CCOc2ccccc2Cl)C1 62913158 SEOXZRWSLOSNFO-OAHLLOKOSA-N 311.765 2.432 0 40 DEAB CCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 13149987 YHPXMBKVJJLKEP-UHFFFAOYSA-N 310.419 2.001 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H]1NCCOc1ccccc1Cl 97033439 GMPAUUZTFBWKCY-JSGCOSHPSA-N 317.838 2.274 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1ccc(OCC2CC2)cc1 65477406 VIUZFTWUFOOMEJ-HNNXBMFYSA-N 311.385 2.417 0 40 DEAB COCCCNS(=O)(=O)c1ccc(Br)c(C)c1 6314817 XXUOAQSDEDWLGD-UHFFFAOYSA-N 322.224 2.072 0 40 DEAB CCc1ncc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)s1 65530153 ZPUHQMYDINQHKP-JTQLQIEISA-N 306.391 2.417 0 40 DEAB O[C@H](COc1ccc(F)cc1)CN1CCC[C@H](N2CCCC2)C1 65587282 PBSDXEBTTZJRJE-IRXDYDNUSA-N 322.424 2.126 0 40 DEAB COc1ccc2oc(C(=O)NCCCn3cncn3)c(C)c2c1 65575736 IOBISYGLUCBTSG-UHFFFAOYSA-N 314.345 2.161 0 40 DEAB O=C1N(Cc2ccco2)C(c2ccccc2)=N[C@@]1(O)C(F)(F)F 5325433 YGTWRRKWNOSKCK-AWEZNQCLSA-N 324.258 2.320 0 40 DEAB Cc1ccccc1CN1CCN(c2cn[nH]c(=O)c2Cl)CC1 14119956 ZTZKANUALSPPOD-UHFFFAOYSA-N 318.808 2.054 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1nnnn1C 5445687 AHVAMHQJUQSCIK-IJLUTSLNSA-N 312.439 2.306 0 40 DEAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)NC[C@@H]1CCCO1 408530222 JDGNVBHVSRMTDG-FDMDGMSGSA-N 309.369 2.452 0 40 DEAB O=C([C@H]1CSc2ccccc21)N1CCC[C@@H](n2cncn2)C1 72287885 SAWUVWIBMYRAFH-OCCSQVGLSA-N 314.414 2.331 0 40 DEAB CC(=O)Nc1ccc(CCNC(=O)NCc2nccs2)cc1 72271046 KLVXHSUYEBBACQ-UHFFFAOYSA-N 318.402 2.143 0 40 DEAB COc1ccc(N2C[C@@H](C(=O)O[C@H](C)C3CC3)CC2=O)cc1 66547160 CZVRPMSPOHMCOX-YPMHNXCESA-N 303.358 2.390 0 40 DEAB COc1ncccc1CN1CCn2c(-c3ccncc3)cnc2C1 306130713 JNORTDVIQJKKAY-UHFFFAOYSA-N 321.384 2.365 0 40 DEAB COC(=O)c1cccc(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)n1 67106519 ZUYRSEUBFAQGCI-DOMZBBRYSA-N 314.316 2.293 0 40 DEAB COC(=O)N1CCC(NCc2ccc(OC)cc2OC)CC1 67254820 MZAVWBLATNGWJD-UHFFFAOYSA-N 308.378 2.024 0 40 DEAB O=c1cc(CSC2=N[C@@H]3CCCC[C@@H]3N2)nc2sccn12 15456772 LGEQWOAUPKEQHP-PHIMTYICSA-N 320.443 2.260 0 40 DEAB Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(C(N)=O)CC2)c(C)c1 7388539 UNSKAFRLNFWGTH-AWEZNQCLSA-N 317.433 2.136 0 40 DEAB Cc1cc(C)n(CC(=O)Nc2cnn(Cc3ccccc3)c2)n1 28574103 JZSKOTKVXRAMNW-UHFFFAOYSA-N 309.373 2.383 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 8014666 ZZBKJYNGDOZNOM-VIFPVBQESA-N 301.302 2.263 0 40 DEAB O=C(Cn1ccnn1)Nc1ccc(COc2ccccc2)cc1 91166543 WLBQTEYUAKROMM-UHFFFAOYSA-N 308.341 2.496 0 40 DEAB O=C(Nc1ncccn1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8263160 RFNUVHSKLDCYHK-JTQLQIEISA-N 316.748 2.122 0 40 DEAB CCN(C(=O)CN1CCC[C@@H]1Cn1cncn1)C1=CCCCC1 71875135 XRAPQQYORHGPLH-MRXNPFEDSA-N 317.437 2.049 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2CC(=O)Nc2cccnc2)c1 71875392 BNXQPTBKBSVTNF-MRXNPFEDSA-N 313.405 2.080 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCN(Cc2ccccn2)CC1 71835170 ZSVAZYPOXRALCI-HZPDHXFCSA-N 311.385 2.123 0 40 DEAB O=C(CNC(=O)N1CC[C@H](c2ccccc2)C1)N1CCCCC1 71844072 UOJSEOFETFDJPQ-INIZCTEOSA-N 315.417 2.198 0 40 DEAB CN(CC(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl)c1cnccn1 69534134 HEUBCJMMQWCCIH-TZMCWYRMSA-N 316.792 2.239 0 40 DEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@H]1Cc1ccccc1 69538100 XZVZHFZPZDXMDN-CVEARBPZSA-N 321.442 2.045 0 40 DEAB CCN1CCN(C2CCN(Cc3nc(C)c(C)o3)CC2)C1=O 69512889 LRXQGGFVCQOINX-UHFFFAOYSA-N 306.410 2.013 0 40 DEAB O=C(NCCCN1CCOC1=O)c1cccc(-n2cccc2)c1 69569223 NZAIZRAEDMAXAE-UHFFFAOYSA-N 313.357 2.049 0 40 DEAB Cc1nccc(CNC(=O)NC[C@H]2C[C@@]23CCc2ccccc23)n1 84290744 OOLNXYWMSKBLRP-BEFAXECRSA-N 322.412 2.488 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)CN(CC(C)C)CC(F)(F)F 71900551 YLSXCEXIVYGMRN-UHFFFAOYSA-N 320.359 2.496 0 40 DEAB COc1ccc(CN(Cc2nccs2)S(C)(=O)=O)cc1 92334295 FKZPHWFHYLHKJC-UHFFFAOYSA-N 312.416 2.114 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)N(C)CC(=O)Nc1cccc(F)c1 8747847 DOYRZVWALYINNM-LBPRGKRZSA-N 321.396 2.143 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(-c2ccccc2)on1 97197920 ZSQPDSNQVFULKU-CYBMUJFWSA-N 308.341 2.283 0 40 DEAB COc1ccccc1CN1CCC[C@H]1C(=O)N1CCSCC1 92673129 INDIOSRPKRFGEA-HNNXBMFYSA-N 320.458 2.235 0 40 DEAB Cc1nc2ccccc2cc1C(=O)N[C@H]1CCc2nccn2C1 97197399 OBQCZXGVECDMCM-AWEZNQCLSA-N 306.369 2.485 0 40 DEAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(C)C[C@H]1CCOC1 95408164 KBFUGVCWKUWTCV-HIFRSBDPSA-N 304.390 2.415 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)Nc1ccccc1OC(C)C)C(N)=O 95942621 LEQYHDUTJVMPCP-BXUZGUMPSA-N 307.394 2.495 0 40 DEAB CCN1CCO[C@@H](C(=O)Nc2cc(C(C)C)c(O)cc2C)C1 95972502 KJSANIAWDWILBX-MRXNPFEDSA-N 306.406 2.483 0 40 DEAB Cc1ccc(C[C@@H](CNC(=O)c2cscn2)C(=O)O)cc1 95970692 JLDNMIVBNJSIQU-LBPRGKRZSA-N 304.371 2.125 0 40 DEAB CC(C)N1CCCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 89885196 DIESRBIUAAZKND-MRXNPFEDSA-N 302.418 2.495 0 40 DEAB CCCc1nnc(N[C@H]2CCCn3nc(COC)nc32)s1 89960591 NCDQSJCEJLVONL-VIFPVBQESA-N 308.411 2.176 0 40 DEAB CC(=O)c1cccc(NC(=O)N2CCC[C@]3(CCNC3)C2)c1 521983037 CFLXWJVXWGKBGS-QGZVFWFLSA-N 301.390 2.497 0 40 DEAB CC1CCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)CC1 71516521 DTFXFTXBPSMLKQ-UHFFFAOYSA-N 302.296 2.126 0 40 DEAB C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 79415689 UMGDQPUHAYHDGC-WBAXXEDZSA-N 315.461 2.426 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)NC[C@@H]2CCOC2)c1 78550198 ZATDATKUYWEFCX-ZDUSSCGKSA-N 300.362 2.339 0 40 DEAB CCSc1ncc(CN2CCC3(CCCNC3=O)CC2)cn1 72393694 FPOXDYPVFBIRSH-UHFFFAOYSA-N 320.462 2.081 0 40 DEAB CC(=O)N1CCC(c2csc(Nc3ncccn3)n2)CC1 72363481 NOWWZJDUWCHGBV-UHFFFAOYSA-N 303.391 2.403 0 40 DEAB CNc1cc([C@@H]2CCN2C(=O)COc2ccccc2)nc(C)n1 72387625 VPLGHWLSCQNOTI-HNNXBMFYSA-N 312.373 2.179 0 40 DEAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc[n+]2[O-])cc1 46085494 ZQTXYTDXGSBNIY-UHFFFAOYSA-N 300.314 2.138 0 40 DEAB O=C(NCc1cccs1)N1CCC[C@H](Oc2cnccn2)C1 225476175 PWOWLOLWDIKSOO-LBPRGKRZSA-N 318.402 2.291 0 40 DEAB Ic1ccccc1OC[C@@H]1CCNC1 42773638 DQRGLNXUZPPRPC-SECBINFHSA-N 303.143 2.280 0 40 DEAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)[C@H]1CCCN1C(=O)OC(C)(C)C 195558636 OMWABDPAVXOMKW-LXTVHRRPSA-N 310.438 2.301 0 40 DEAB NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2ncccc12 195544587 CKEYSRDNGGDIRU-GXTWGEPZSA-N 319.430 2.031 0 40 DEAB CN1CCN(c2ccc(N)cc2NC(=O)Cc2ccccc2)CC1 226258455 PJTPKUWAMQLKET-UHFFFAOYSA-N 324.428 2.202 0 40 DEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 227161617 XVWAPRNGKOUCDD-UWVGGRQHSA-N 324.402 2.096 0 40 DEAB C[C@@H]1CCCCN1c1ncc2c(n1)CN(Cc1cccnc1)C2=O 46087077 PNMBRTLEIZLRLH-CYBMUJFWSA-N 323.400 2.406 0 40 DEAB COCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 48490130 XOYVRXARJQVRGF-UHFFFAOYSA-N 305.161 2.085 0 40 DEAB O=C(Cn1cnc2ccccc21)Nc1cnc(N2CCCC2)nc1 224248366 ODLGSBYLGLWZET-UHFFFAOYSA-N 322.372 2.065 0 40 DEAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)s1 223562789 PJWXOWFFFVPYEQ-KGLIPLIRSA-N 319.455 2.416 0 40 DEAB O=C1C[C@H](Cc2ccccc2)C(=O)N1CCN1CCCCC1 194443171 FHVZFCZHKSXPES-INIZCTEOSA-N 300.402 2.090 0 40 DEAB CC(C)NC(=O)[C@H]1C[C@@H]2CCN(CCc3ccccc3)C[C@@H]2O1 96043140 NWEYDZJOTSJOBT-KSZLIROESA-N 316.445 2.233 0 40 DEAB Cc1nsc(NC(=O)[C@H]2CCCN2Cc2ccccc2)n1 96441072 YLDJJSTWUPAOBF-CYBMUJFWSA-N 302.403 2.450 0 40 DEAB Fc1cnc(N2CCO[C@H]3CN(CC4CCCCC4)C[C@H]32)nc1 96248863 VYNYFEXQXHBWHW-CVEARBPZSA-N 320.412 2.085 0 40 DEAB CN(C(=O)C[C@H]1CCCO1)[C@H]1CCCN(c2ccccc2)C1=O 96406504 USSFRCHEMPJLNS-CVEARBPZSA-N 316.401 2.210 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(Cc1ccc3c(c1)OCO3)C2 96064980 IHXWMLCYEYRLKV-MSOLQXFVSA-N 319.401 2.433 0 40 DEAB C[C@@H]1N(CC2CC2)C(=O)COC12CCN(Cc1ccoc1)CC2 96201559 JJBMVPQEBXAUCA-AWEZNQCLSA-N 318.417 2.272 0 40 DEAB CC(C)n1ccnc1CN(C)Cc1nc2ccsc2c(=O)[nH]1 97095269 CLXOZSPROZQASO-UHFFFAOYSA-N 317.418 2.394 0 40 DEAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)Cc1ccc(C)cc1)C2 248132794 NSWLQYHDRWCZPP-KRWDZBQOSA-N 316.445 2.107 0 40 DEAB C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H]1CCc2cc(Cl)ccc21 248612979 YCPAEGMSRLNQTH-HERUPUMHSA-N 315.822 2.424 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@@H](Cc2[nH]ncc2C)C1 257275800 NQXYZKFJUDYAQO-ZDUSSCGKSA-N 314.389 2.217 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)Cc3sc(C)nc3C)C2)n1 257237808 HIGJTKHJSXDMBC-ZDUSSCGKSA-N 316.430 2.417 0 40 DEAB Cc1ncoc1C(=O)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257255217 KGPPJGTZYFRDKS-GFCCVEGCSA-N 311.345 2.274 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2)n1 257333472 YBSHFIQPQSBHGA-LLVKDONJSA-N 300.362 2.215 0 40 DEAB Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCCNCC1 257198008 PXNCJHZCEJRQAF-SNVBAGLBSA-N 301.312 2.281 0 40 DEAB Cn1ccnc1-c1cncc([C@@H]2CCCN(c3ncccn3)C2)n1 257204336 AUBHYVTVXXJYHM-CYBMUJFWSA-N 321.388 2.051 0 40 DEAB CC(=O)N1CCC2(CC1)C[C@H](N(C(C)=O)c1ccccc1)CO2 257237335 HGAQWSGHAODIMN-KRWDZBQOSA-N 316.401 2.210 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)/C=C/c2ccncc2)n1 257222084 DRVDTIQIMXAUJH-MBVDDHJVSA-N 309.373 2.290 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CN(Cc3cc(C)on3)CCO2)n1 257271468 MYLQCMHHQDIATQ-QGZVFWFLSA-N 316.405 2.326 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2ccncn2)n1 257301265 RXRZSOZBCDFNTE-ZDUSSCGKSA-N 315.377 2.279 0 40 DEAB C[C@@H](C(=O)O)C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 263073212 GXOZBUURHRMIOQ-SNVBAGLBSA-N 323.776 2.482 0 40 DEAB CCOC(=O)[C@H]1C[C@H]2CC(=O)C[C@@H](C1)N2C(=O)OC(C)(C)C 261507619 KHUPXDHFHJDBPZ-CNDDSTCGSA-N 311.378 2.297 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@@]2(O)CCc3ccccc3C2)c1 90611446 ZQQDYABZEDOXBU-HXUWFJFHSA-N 324.424 2.402 0 40 DEAB O=C(c1ccccn1)N1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 585182419 RLWIFVFWTLXUEN-CYBMUJFWSA-N 320.356 2.239 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)NCCSc2ccccc2)C1 27959095 NTXCCDSIWFMLLH-CYBMUJFWSA-N 314.476 2.345 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)cn1 33119956 ORTBKJDEOQQIOC-NSHDSACASA-N 311.341 2.212 0 40 DEAB Cc1ccc(C(=O)N(C)c2ccccc2S(=O)(=O)N(C)C)o1 70838573 WVUMBBPSNZGETH-UHFFFAOYSA-N 322.386 2.115 0 40 DEAB O=C(NCCCN1CCCC1=O)Nc1cccc2cnccc12 58344469 HFJVBQHVULOTQR-UHFFFAOYSA-N 312.373 2.369 0 40 DEAB COc1ccccc1CC(=O)NCCN1C[C@@H](C)C[C@H](C)C1 40107567 MZTMEGQZFUGFMJ-GJZGRUSLSA-N 304.434 2.332 0 40 DEAB CN(CC(=O)N1CCc2ccccc21)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 75145354 YYYZOHWXAGBMDX-OLMNPRSZSA-N 314.429 2.321 0 40 DEAB O[C@H](CNCc1cccs1)CN1CCc2ccccc2C1 75777466 CORGGULURQUENN-MRXNPFEDSA-N 302.443 2.257 0 40 DEAB CC(C)OCCS(=O)(=O)N[C@@H](C)c1ccc(F)c(F)c1 76092933 JBLHCXJUZIDGIL-JTQLQIEISA-N 307.362 2.370 0 40 DEAB CCCc1noc([C@H](C)N[C@@H]2CCN(C(C)=O)C[C@@H]2CC)n1 89960492 DHGZNGYFJVVWAV-FPMFFAJLSA-N 308.426 2.320 0 40 DEAB COc1ccc(-n2nnc(C)c2C(=O)Nc2cccnc2)cc1 19554698 GICZZDJNNQNCRO-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)NCc1ccccc1 102387550 LEGDVMXLPVDLSV-MRXNPFEDSA-N 307.353 2.342 0 40 DEAB CC(=O)NCCNC(=O)CSc1ccc2ccccc2c1 6560891 DORFCXUDSCWRFG-UHFFFAOYSA-N 302.399 2.184 0 40 DEAB Cn1c(=O)n(Cc2cccc(Cl)c2)c(=O)c2ccccc21 1888976930 LCZAWFLDADRARH-UHFFFAOYSA-N 300.745 2.402 0 40 DEAB O=C(C1CCC1)N1CCC[C@@](O)(COc2ccc(F)cc2)C1 2037913050 MVFCYWSLAKFXNV-KRWDZBQOSA-N 307.365 2.358 0 40 DEAB Cc1c(C(=O)C(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc2n1C 18180936 MNEMCZDPCAEQOS-TXEJJXNPSA-N 314.385 2.305 0 40 DEAB O=C(NCCc1ccc(-c2ccco2)s1)N1CCNC1=O 2086896689 NZSKMMFCBCEZSX-UHFFFAOYSA-N 305.359 2.285 0 40 DEAB COc1ccc(C(=O)c2cn(CC(=O)O)c3cnccc23)cc1 19553280 KKZSTFSBVWAHLL-UHFFFAOYSA-N 310.309 2.361 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc3c(c2)OCO3)o1 49026967 WPTAOPUMPNVLMC-LLVKDONJSA-N 304.302 2.172 0 40 DEAB Cc1nc(C)c(Cl)c(NS(=O)(=O)c2ccc(N)cc2)n1 2090 JQBLWVSZNZIWFC-UHFFFAOYSA-N 312.782 2.130 0 40 DEAB in-man NS(=O)(=O)Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1 40217473 PTWMXLIIAWETTQ-UHFFFAOYSA-N 324.789 2.381 0 40 DEAB CC(=O)Nc1nc(C(=O)NCCc2cccc(F)c2)cs1 31782205 SYGKZVMIJSJVGM-UHFFFAOYSA-N 307.350 2.213 0 40 DEAB COCCN(C(=O)c1cnc2c(cnn2C(C)C)c1)C1CC1 40542438 AXSMZKHJAWVKAD-UHFFFAOYSA-N 302.378 2.263 0 40 DEAB COc1ccccc1CNc1c(NCc2ccco2)c(=O)c1=O 101690519 WHKVWZNZISWHPZ-UHFFFAOYSA-N 312.325 2.108 0 40 DEAB COc1ccccc1C1(CNc2ccc3nnnn3n2)CCCC1 53580186 UFUKNLHINZKAMW-UHFFFAOYSA-N 324.388 2.452 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1ccncc1 78880275 AVHDQNJCRGGLDN-NVXWUHKLSA-N 300.406 2.299 0 40 DEAB C[S@@](=O)C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccc1 78997679 GAIHPYHTDSOGAK-ZHRRBRCNSA-N 317.410 2.171 0 40 DEAB COc1ccc2c(c1)N(C)/C(=C1/OC(=S)N(C)C1=O)S2 3156607 KVJZOASDJAIDLS-BENRWUELSA-N 308.384 2.180 0 40 DEAB COCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O 4999997 QLNHJFVLTMDPAF-UHFFFAOYSA-N 324.380 2.248 0 40 DEAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1ccc2ccccc2n1 12508838 UDTXIXLCZMGYCK-UHFFFAOYSA-N 323.352 2.468 0 40 DEAB C[C@H](NC(=O)c1ccc[nH]c1=S)C(=O)NCc1ccccc1 55343986 MDWSBTUVMQDNMA-NSHDSACASA-N 315.398 2.179 0 40 DEAB Cc1noc([C@@H](C)N[C@H](C)c2ccc3c(c2)NC(=O)CO3)n1 27034932 HGCNCVFGZULNAO-RKDXNWHRSA-N 302.334 2.121 0 40 DEAB Cc1nnc(NC(=O)NCCCc2nc(C(C)C)no2)s1 58053629 SPNAXKMDCGZWMK-UHFFFAOYSA-N 310.383 2.107 0 40 DEAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccnc1)C2O 19322815 FWCHTEPUDNXTJZ-UHFFFAOYSA-N 315.461 2.371 0 40 DEAB biogenic Fc1ccc(Nc2nc(N3CCOCC3)nc3[nH]ncc23)cc1 23135917 ALXXXCXQNDTUNV-UHFFFAOYSA-N 314.324 2.072 0 40 DEAB C[C@@H]1CN(C(=O)NCc2ccnc(N3CCCCC3)c2)CCO1 44967649 SBGKGMVMMKLFKY-CQSZACIVSA-N 318.421 2.002 0 40 DEAB O=C(NCCc1ccccn1)Nc1cccnc1N1CCCC1 44952079 YMBCCQVFEGTZKH-UHFFFAOYSA-N 311.389 2.441 0 40 DEAB COc1ccccc1[C@@H](NC(=O)N1CCCC1)c1nccn1C 44909127 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CC1=C(C)C[C@H]2C(=O)N(NC(=O)c3csc(C)c3)C(=O)[C@@H]2C1 102306874 UQAJZGXXGXJMID-CHWSQXEVSA-N 318.398 2.433 0 40 DEAB COC(=O)[C@H]1CSc2[nH]c(=O)sc2[C@H]1c1ccccc1 8578983 JRPDWMDOCJKOFA-UWVGGRQHSA-N 307.396 2.463 0 40 DEAB O=C(Cc1ccc2ccccc2c1)NC[C@H]1CN2CCC[C@H]2CO1 106577533 BLNKRMQBTDWLTD-OALUTQOASA-N 324.424 2.362 0 40 DEAB Cc1ccc(NCC(=O)NC(=O)NCc2ccco2)cc1F 12598726 JCDCNANFMASWJO-UHFFFAOYSA-N 305.309 2.165 0 40 DEAB CN1CCCN(C(=O)COC[C@@H]2CCCO2)c2cc(F)ccc21 72293341 HMRQFKSSAWWHNQ-AWEZNQCLSA-N 322.380 2.194 0 40 DEAB O=C(CNc1ccccc1Cl)N1CCC2(CC1)OCCO2 58370818 IHELHQWWSWIQMB-UHFFFAOYSA-N 310.781 2.117 0 40 DEAB Cc1nc2ccccc2n1CCCNC[C@H]1CNc2ccnn2C1 58315971 VGOLAJUHIJCOMU-HNNXBMFYSA-N 324.432 2.263 0 40 DEAB Cc1cnn(CCNCC(=O)N2CCC[C@H]2c2ccsc2)c1 72253142 IKFYAAOHWOFHGM-HNNXBMFYSA-N 318.446 2.206 0 40 DEAB COC[C@@H](C)N[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 28622005 NSTSZPKXQFXAJC-ABAIWWIYSA-N 303.362 2.287 0 40 DEAB C=Cn1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 10119682 YNKULUZNSVJFHZ-UHFFFAOYSA-N 307.741 2.061 0 40 DEAB CC[C@H](C(=O)NC1CCS(=O)(=O)CC1)c1ccc(F)cc1 97141855 UVZAYJZVMIUNOW-AWEZNQCLSA-N 313.394 2.013 0 40 DEAB Cc1cc(S(=O)(=O)N(CC(=O)O)CC(C)C)c(C)s1 59880918 XDIFYKDCSMHQAL-UHFFFAOYSA-N 305.421 2.096 0 40 DEAB O=C1CCCc2cc(S(=O)(=O)NCc3ccco3)ccc2N1 9096173 DCMDXFRQKUYFMS-UHFFFAOYSA-N 320.370 2.033 0 40 DEAB CC[C@H](C)NC(=O)CN1CCN(c2cccc(Cl)c2)CC1 13061344 KFDKFKDROOHGNG-ZDUSSCGKSA-N 309.841 2.377 0 40 DEAB Cc1cc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)on1 9155967 MGIIOFKGRSRWJU-QGZVFWFLSA-N 311.341 2.267 0 40 DEAB CC(C)(O)C(C)(C)NC(=O)Nc1nnc(C(F)(F)F)s1 96004102 GJUWDAVLWXLISA-UHFFFAOYSA-N 312.317 2.228 0 40 DEAB CC[C@H](C)[C@H](NC(=O)NCc1ccccc1OC)C(=O)OC 13776906 TYKHLKOSAOIXGT-FZMZJTMJSA-N 308.378 2.082 0 40 DEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)NCc1ccccc1 5189617 QIKWKPRJGUTLNO-UHFFFAOYSA-N 321.373 2.306 0 40 DEAB C[C@@H](C(N)=O)N1CCO[C@H](c2nc(-c3ccccc3)cs2)C1 65462419 FUDXXXGCXUDHDY-FZMZJTMJSA-N 317.414 2.057 0 40 DEAB CCCc1noc(CCC(=O)NC[C@H]2Cc3ccccc3O2)n1 65401501 HWXHFSAWSGBQFM-CYBMUJFWSA-N 315.373 2.075 0 40 DEAB c1ccc(NCc2cccc(OCCN3CCOCC3)c2)nc1 19777995 OSAJFOBUQPNYHB-UHFFFAOYSA-N 313.401 2.405 0 40 DEAB COc1cccc(NC(=O)c2cnc3sccn3c2=O)c1 6451030 OPKGCJNCHQTSRX-UHFFFAOYSA-N 301.327 2.017 0 40 DEAB CSCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9471036 IWWULCZEUOJSEF-UHFFFAOYSA-N 313.854 2.393 0 40 DEAB NC(=O)c1ccc(OC(=O)c2cncc(Br)c2)cc1 15574326 ZNWFNVWGFKLORC-UHFFFAOYSA-N 321.130 2.162 0 40 DEAB CN(C(=O)Cc1cccs1)[C@H]1CCCC[C@H]1S(C)(=O)=O 96422451 GCXTVIJIIYLBOW-QWHCGFSZSA-N 315.460 2.105 0 40 DEAB O=C(C[C@H]1Sc2ccccc2NC1=O)NCc1ccncc1 7989311 QWHCSQQIWPLHTK-CQSZACIVSA-N 313.382 2.201 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)Cc2ccsc2)c1 8271316 QDEJHLDKVWDMRA-UHFFFAOYSA-N 324.427 2.180 0 40 DEAB O=C(CCOCC(F)(F)F)N1CCC[C@@H](n2cccn2)C1 69431795 PEICECVQWMZMKB-LLVKDONJSA-N 305.300 2.016 0 40 DEAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2n[nH]c(C)n2)n1 69493608 UXNQHEKAGLQMHC-HNNXBMFYSA-N 307.357 2.336 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)CCn3nc(C)cc3C)C2)c1 69487615 BWUAQRIADHEGDH-INIZCTEOSA-N 315.421 2.259 0 40 DEAB COCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 71876839 ZWTFPVZYQTWXMN-UHFFFAOYSA-N 305.374 2.032 0 40 DEAB COc1ccc2nc(N3C[C@H]4OCCN(C)[C@@H]4C3)c(C)cc2c1 91622794 SNQMFKWYMUYNLH-IAGOWNOFSA-N 313.401 2.071 0 40 DEAB NC(=O)[C@@H]1CCCN(C(=O)CCCc2ccc(Cl)cc2)C1 69516853 CYNMLJSNQVNJRK-CYBMUJFWSA-N 308.809 2.387 0 40 DEAB O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)N1CCOCC1 69629114 OVPNRUFPGLAPNF-QGZVFWFLSA-N 306.381 2.115 0 40 DEAB CCc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)CCCC3)C2 69655262 RTLSDJCOJULLGY-UHFFFAOYSA-N 324.428 2.304 0 40 DEAB COc1cccc(C[S@@](=O)Cc2nsc(N(C)C)n2)c1 97080204 JWKLNCOYDGIPKE-FQEVSTJZSA-N 311.432 2.062 0 40 DEAB O=C1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 95451124 QTKXYSNXPREGMM-UHFFFAOYSA-N 320.433 2.043 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)N(CCC(F)(F)F)C1CCC1 95431519 BWGIYQFHXWSBOE-VIFPVBQESA-N 309.332 2.028 0 40 DEAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc[n+]([O-])c1 95954366 FXBDGBKXXHBJEF-HZPDHXFCSA-N 316.332 2.109 0 40 DEAB COC(=O)[C@@H](NC(=O)c1oc(C)nc1C)c1ccc(F)c(F)c1 89364545 ZPEUWABVGVJLAR-LBPRGKRZSA-N 324.283 2.214 0 40 DEAB C[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)O 89496997 IVYVBINVGPHGBP-SECBINFHSA-N 300.314 2.422 0 40 DEAB CCNC(=O)c1cccc(Oc2cc(C)nc(COC)n2)c1 75048089 CDVSCEUFCSUECY-UHFFFAOYSA-N 301.346 2.473 0 40 DEAB c1ccc(-c2cn(Cc3nc(-c4ccncc4)no3)nn2)cc1 89851241 MHNLBQIMRINTTD-UHFFFAOYSA-N 304.313 2.438 0 40 DEAB C[C@H]1CN(CC(=O)NCC(F)(F)F)C[C@H](c2ccsc2)O1 89937012 INQACWDXQHFBFM-GXSJLCMTSA-N 322.352 2.188 0 40 DEAB CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(O)c2)ccc1F 89962784 FGIKZMPXJDHDER-UHFFFAOYSA-N 324.333 2.291 0 40 DEAB C[C@H]1CCCCN1C(=O)NCCc1ccc(S(C)(=O)=O)cc1 76088628 GMOMYLQIBPGSJA-ZDUSSCGKSA-N 324.446 2.217 0 40 DEAB COC[C@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63890477 UAHHBDRHZYHDAB-LBPRGKRZSA-N 318.373 2.434 0 40 DEAB c1cc2n(n1)[C@H](CCOCC1CC1)CN(CC1CCOCC1)C2 306134556 NRPRUDHCJXLNNU-GOSISDBHSA-N 319.449 2.483 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccccc1F 36006936 UAJNIUOMKRDNNA-YVSFHVDLSA-N 306.333 2.044 0 40 DEAB O=C(Cc1ccn(-c2ccccc2)n1)N1CCCO[C@@H](CF)C1 519630159 IQPFSQAFOVQWJL-INIZCTEOSA-N 317.364 2.002 0 40 DEAB CSc1cc2c(cc1NC(=O)NC[C@@H]1CCOC1)OCCO2 78394959 YRJGEGBUMJDUPU-JTQLQIEISA-N 324.402 2.338 0 40 DEAB CSc1ccc(OCCN2CCC[C@H](NC(C)=O)C2)cc1 75640033 GMXIOOAMSMBVPA-AWEZNQCLSA-N 308.447 2.388 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 79394284 NMPUBZIIOZLDBX-SJORKVTESA-N 303.450 2.093 0 40 DEAB C[C@H](SCC(=O)N[C@H]1CCCCNC1=O)c1cccc(F)c1 78555783 MMORUSAJLXTKBP-FZMZJTMJSA-N 324.421 2.405 0 40 DEAB CC[C@@H](C)n1cc(I)c(C(=O)OC)n1 72339405 BVGYJIXYCDDSHJ-ZCFIWIBFSA-N 308.119 2.245 0 40 DEAB Cc1nccc(N2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)n1 72355606 OUPUQJDXFKDHAK-AWEZNQCLSA-N 321.388 2.145 0 40 DEAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCOC 222906332 JLAIERRNUOJZMI-ZDUSSCGKSA-N 324.396 2.106 0 40 DEAB O=C(NCCc1cccc(F)c1F)N[C@H]1CC12CCOCC2 570526739 CAJUGOGNCSNTMG-ZDUSSCGKSA-N 310.344 2.376 0 40 DEAB C[C@H](Oc1ccccn1)C(=O)N1CCC(c2ccncn2)CC1 572099462 QXZUIABEWCZDGV-ZDUSSCGKSA-N 312.373 2.045 0 40 DEAB COCCN1C(=O)N[C@@H](c2cccc(C)c2)C(C(=O)OC)=C1C 40161577 OOFXBPMGGHQEON-HNNXBMFYSA-N 318.373 2.155 0 40 DEAB NC(=O)[C@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)nc1 195562115 YPOJENVNYYGTRV-JKSUJKDBSA-N 316.449 2.206 0 40 DEAB Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3c2cncnc2)s1 96245939 WPCXFMKTDBKAJT-GJZGRUSLSA-N 314.414 2.226 0 40 DEAB O=C(c1ccoc1)N1CCn2cc(CN3CCCCC3)nc2C1 96197261 PBICHDRAGMCYJC-UHFFFAOYSA-N 314.389 2.118 0 40 DEAB CC1(C)CC[C@H](NC(=O)N2CCO[C@@H](CO)C2)c2ccccc21 96456347 PXRYIVCJGYDMJD-CJNGLKHVSA-N 318.417 2.202 0 40 DEAB CCO[C@H]1CN(C(=O)c2cccc(OC)c2)[C@@H]2CCCO[C@H]12 96187017 AVYQBLDDQMPIBG-PMPSAXMXSA-N 305.374 2.104 0 40 DEAB O=C(NCCc1ccccc1)Nc1cnn([C@@H]2CCOC2)c1 96123216 JOZHQCSVBNZJFX-OAHLLOKOSA-N 300.362 2.209 0 40 DEAB Cc1cccc(C(=O)N2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)n1 96061738 GHUTYCSFPPRNQB-MSOLQXFVSA-N 324.428 2.172 0 40 DEAB C[C@@H]1CC[C@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)C[C@H]1C 249064856 IIOJJNSUBMWQAM-FMKPAKJESA-N 321.465 2.465 0 40 DEAB COCCN1C[C@H](COC)C2(CCN(C3CCCC3)CC2)C1 247835699 JCJZRVVYGJCJQO-MRXNPFEDSA-N 310.482 2.236 0 40 DEAB Cc1cccc(N2CCC[C@@H](NC(=O)c3cscn3)C2)n1 257306965 SWSVQNDKOJPEFR-GFCCVEGCSA-N 302.403 2.245 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)n1 257280687 OLYKOQJRPGLTFP-INIZCTEOSA-N 311.385 2.421 0 40 DEAB COCCN1CCC2(CC1)C[C@H](N(C)c1ccccc1)CO2 257310414 UEZOOMGTNQSXRN-KRWDZBQOSA-N 304.434 2.393 0 40 DEAB COCC[C@](C)(O)CNC(=O)NC12CC3CC(CC(C3)C1)C2 388929368 BPECZGDWUFWWQQ-AIWVUANBSA-N 310.438 2.042 0 40 DEAB CNC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O 17130391 VLVBGXIDLGFOCR-UHFFFAOYSA-N 313.382 2.179 0 40 DEAB O=C(O)CN(C1CCC1)S(=O)(=O)c1sccc1Cl 653495208 ZMNSBXORKGSMOD-UHFFFAOYSA-N 309.796 2.029 0 40 DEAB Cc1ccc(OCC2CCN(c3nccn4nccc34)CC2)nn1 1775985860 DAFJPXLMBIIWDU-UHFFFAOYSA-N 324.388 2.123 0 40 DEAB CC(C)(O)CSCCNC(=O)N1CC[C@H]2CCCC[C@@H]21 74761351 GJIPZFNPCDNVQH-OLZOCXBDSA-N 300.468 2.465 0 40 DEAB CCN(CC)[C@H]1CCN(C(=O)NCc2cc(C(C)C)no2)C1 76088430 MHRYFYRCFBVFIE-ZDUSSCGKSA-N 308.426 2.424 0 40 DEAB CN(C(=O)NCc1ccncc1)[C@@H]1CCN(c2ccccc2)C1=O 76065811 HBHBNQXSAMCYTD-MRXNPFEDSA-N 324.384 2.029 0 40 DEAB Cn1c(=O)n(Cc2cccc(OC(F)F)c2)c2cnccc21 78876202 LLSULJWIHVDBHQ-UHFFFAOYSA-N 305.284 2.385 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1c2ccccc2C[C@@H]1O 97271148 GZSOEVJDBPDUAO-PKOBYXMFSA-N 306.365 2.485 0 40 DEAB O=C(Cc1ccccc1Cl)N1CCC[C@@H]1Cn1nccn1 675007857 VWYDHZJEOYLDKD-CYBMUJFWSA-N 304.781 2.165 0 40 DEAB Cc1cc2c(s1)c1cnn(CC(=O)OC(C)C)c(=O)c1n2C 12113553 ZIXUJQAFEDLBEL-UHFFFAOYSA-N 319.386 2.210 0 40 DEAB Cn1nccc1C(=O)C1CCN(C(=O)c2cccc(F)c2)CC1 12337202 KWXSDIDPUFQIIF-UHFFFAOYSA-N 315.348 2.294 0 40 DEAB CC(C)(C)C(=O)N1CC[C@H](c2nc(-c3ccccn3)no2)C1 19081056 ABPYTFDTFZZWMW-NSHDSACASA-N 300.362 2.494 0 40 DEAB CCC[C@@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 4763467 BRMDRPWZGZCLQF-SNVBAGLBSA-N 307.785 2.298 0 40 DEAB C/C=C1/CN2[C@H]3C[C@@]45C(=O)[C@H]3[C@H]1C[C@H]2[C@H]4N(C)c1c(O)cccc15 248092643 VVLPFXAEVKKWTK-UYVIKESOSA-N 322.408 2.070 0 40 DEAB biogenic Cc1c(C(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc2n1C 4062430 MNEMCZDPCAEQOS-RYUDHWBXSA-N 314.385 2.305 0 40 DEAB COC[C@@H]1CN(C(=O)c2cccc(Cl)c2)Cc2cn(C)nc21 2055751099 IBSBCRYLLUSYBP-ZDUSSCGKSA-N 319.792 2.460 0 40 DEAB Nn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1 26770306 GMUZVOGNIPNXSH-UHFFFAOYSA-N 300.343 2.227 0 40 DEAB COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@@H]1O5 100787829 FQXXSQDCDRQNQE-UPRAQXHNSA-N 311.381 2.425 0 40 DEAB biogenic CS(=O)(=O)NCc1ccc(C(=O)c2ccsc2)s1 211084734 ONNAIGSHJBMPBN-UHFFFAOYSA-N 301.414 2.090 0 40 DEAB CC(=O)OC(C)(C)C(=O)NCC[C@@H](O)c1cccc(Cl)c1 225610715 XHTOSVSHJUPGRP-CYBMUJFWSA-N 313.781 2.221 0 40 DEAB c1ccc2c(N3CC[C@@H](COc4cnccn4)C3)ncnc2c1 2298222291 MJUZFXGLFYOJKJ-CYBMUJFWSA-N 307.357 2.325 0 40 DEAB Cc1cnc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)cn1 31774825 VAJCHWZRTIFBFM-LBPRGKRZSA-N 313.357 2.437 0 40 DEAB C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 40510137 IBQNNTRODGHWQU-YUMQZZPRSA-N 307.824 2.013 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 100920847 PKVQQARSPCWFPN-HUBLWGQQSA-N 320.414 2.088 0 40 DEAB CCn1ccc(-c2cc(C(=O)O)n3nc(C)c(Cl)c3n2)n1 20617289 YVJYFHWHQLBMGD-UHFFFAOYSA-N 305.725 2.273 0 40 DEAB N[C@H]1CCCN(C(=O)c2ccc(F)cc2Br)C1 41028273 XKECEDHUERCZGV-VIFPVBQESA-N 301.159 2.152 0 40 DEAB CC(C)Sc1nnc(CN2CCCC2=O)n1-c1ccccn1 21481246 CVGKHGUYHJVUHI-UHFFFAOYSA-N 317.418 2.285 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)c1cccc(F)c1 52782229 WHCDESSOTIPBCY-VIFPVBQESA-N 311.382 2.216 0 40 DEAB Cn1ncc2c(O)nc(CN3CCC[C@@H]3C3CCCC3)nc21 52863808 BRDWNKNQUOHWPE-CYBMUJFWSA-N 301.394 2.224 0 40 DEAB Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc2ccc(F)cc12 53062306 UIFXUGQMNLGOGW-SECBINFHSA-N 306.362 2.296 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)O)ccc1=O 41670503 LKQQUEUPRZRSEQ-UHFFFAOYSA-N 320.732 2.147 0 40 DEAB Cc1cc(CNS(=O)(=O)N2CCCCCC2)ccc1F 22413262 PQOLYWNOGXDHAU-UHFFFAOYSA-N 300.399 2.345 0 40 DEAB O=C(NCCC1=CCCCC1)c1cc(F)ccc1-n1cnnn1 12323147 OGSVPNNPNFYYCZ-UHFFFAOYSA-N 315.352 2.422 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)c(C(=O)O)c1)c1ccco1 785063 UITBXSOPJCWFBB-UHFFFAOYSA-N 316.313 2.067 0 40 DEAB CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1 794566 HTAZJTJZPZSWBM-UHFFFAOYSA-N 307.331 2.092 0 40 DEAB CC(C)C(=O)Nc1ccc(C(=O)N[C@@H]2CCSC2=O)cc1 815459 WKPMYDWYOCEELG-GFCCVEGCSA-N 306.387 2.043 0 40 DEAB CC(C)N(CC(C)(C)O)C(=O)Nc1ccc2c(c1)OCCO2 84597244 MXMXTDFACQMUNK-UHFFFAOYSA-N 308.378 2.471 0 40 DEAB COc1ccc([C@H](NC(=O)c2cccnc2)c2nccn2C)cc1 24024923 XVXAKVSKTFQLBM-INIZCTEOSA-N 322.368 2.343 0 40 DEAB S=C(NCCN1CCOCC1)N1CCC[C@H]1c1ccccc1 55030019 YDJIDAKHFANFOD-INIZCTEOSA-N 319.474 2.030 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H](O)c2ccccc2)cc1 6923545 CRZOLKWUJOHXED-XJKSGUPXSA-N 305.399 2.395 0 40 DEAB O=C1[C@@H](Nc2ncccn2)CCN1c1ccccc1OC(F)F 95397835 BVSGYQXFUDBXNO-JTQLQIEISA-N 320.299 2.295 0 40 DEAB COc1ccc(CNC(=O)c2n[nH]c3c2CCCC3)c(OC)c1 51319446 UZLHLVZJASSSDL-UHFFFAOYSA-N 315.373 2.236 0 40 DEAB O=C(NC[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](N2CCCC2=O)C1 106911010 ILNQHRBTBWBIHI-JONQDZQNSA-N 319.449 2.219 0 40 DEAB CCOC1CCN(C(=O)c2cc(=O)c3ccccc3[nH]2)CC1 56134681 AKZIPCGRTBHOMA-UHFFFAOYSA-N 300.358 2.169 0 40 DEAB CCn1cc(NC(=O)NCc2ccnc(N3CCCC3)c2)cn1 43645417 ICIOJZJVOKUOLP-UHFFFAOYSA-N 314.393 2.220 0 40 DEAB CC(C)CNC(=O)Nc1ccc(-c2nnnn2C2CC2)cc1 44016771 ICTACQUVVNGOMC-UHFFFAOYSA-N 300.366 2.453 0 40 DEAB O=C(NCc1nnnn1-c1ccc(F)cc1)Nc1ccccc1 9616445 WVRDVOFUSFYOJA-UHFFFAOYSA-N 312.308 2.123 0 40 DEAB CC(C)CNC(=O)Cc1csc(NC(=O)c2ccco2)n1 9659366 UBFXFINJWXJVMH-UHFFFAOYSA-N 307.375 2.303 0 40 DEAB CCCn1ccc2cc(NC(=O)CN3CCCNC3=O)ccc21 84760650 GLCDOTWUGKHQKX-UHFFFAOYSA-N 314.389 2.405 0 40 DEAB O=C(CCCOc1ccccc1)NCCc1nnc2ccccn12 52852402 MAVYSEVTFFSOPZ-UHFFFAOYSA-N 324.384 2.247 0 40 DEAB COC(=O)[C@@]12CCC[C@@H]1CN(Cc1ccc(NC(C)=O)cc1)C2 108496723 MGJUZQJCBQWIJW-CRAIPNDOSA-N 316.401 2.420 0 40 DEAB CC[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCOCC1 44945451 RVPBRBROMOZULV-QWHCGFSZSA-N 311.451 2.219 0 40 DEAB C[C@@H](OC[C@@H](O)CNC(=O)Nc1nccs1)c1ccccc1 44970424 GJFMXKJKUARBQJ-YPMHNXCESA-N 321.402 2.403 0 40 DEAB c1ccc(Cn2nnnc2COc2ccc3c(c2)OCO3)cc1 48264747 MUYMGGOMVAJOMB-UHFFFAOYSA-N 310.313 2.029 0 40 DEAB O=C(c1ccccc1F)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2123186 WUKSHEBWAYSRQU-OLZOCXBDSA-N 312.344 2.247 0 40 DEAB biogenic COc1ccc(C(N)=O)cc1NC(=O)N(C)CC1CCCC1 58424586 OIMLFFLQIWWBFP-UHFFFAOYSA-N 305.378 2.448 0 40 DEAB O=C(Cc1cnc(-n2cccc2)s1)NCCc1ccco1 20728066 ZHXASHSJKJVWPJ-UHFFFAOYSA-N 301.371 2.428 0 40 DEAB CC(C)N1CCO[C@H](c2noc(/C=C/c3cccnc3)n2)C1 95999238 VJZCOKNPUCFACD-GJBLVYBDSA-N 300.362 2.417 0 40 DEAB Cc1nc([C@H]2CN(CCOC3CCCCCC3)CCO2)no1 95960979 ZJACJWBYYREREB-OAHLLOKOSA-N 309.410 2.491 0 40 DEAB Cc1ccccc1-c1noc(CCC(=O)NC[C@H]2CCCO2)n1 2390479 CTLQRLFWHIDUFH-CYBMUJFWSA-N 315.373 2.273 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1 100521513 IWICKOBLUJZCTL-JTAWPXLSSA-N 313.353 2.403 0 40 DEAB O=S(=O)(NC[C@H]1CCN(c2ccccc2)C1)c1ccccc1 45743852 UAVJCUPXYAFWCN-OAHLLOKOSA-N 316.426 2.491 0 40 DEAB Cc1cnc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)s1 29775610 PYRSSYCNNZPAMF-NSHDSACASA-N 307.375 2.438 0 40 DEAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)c1ccc2c(c1)OCO2 48303050 NORBLJOYOZTAFQ-OAHLLOKOSA-N 324.336 2.167 0 40 DEAB COc1ccccc1N1CCN(C(=O)c2scnc2C)CC1 46572115 LJNRBQKYYCWHTF-UHFFFAOYSA-N 317.414 2.423 0 40 DEAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCCc1cccs1 12896841 KZJKNJYKUROTLR-CQSZACIVSA-N 316.382 2.197 0 40 DEAB CNC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12917316 FGJBWLMHKKQNLI-UHFFFAOYSA-N 323.414 2.297 0 40 DEAB Cc1nn(C)cc1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCC1 71281240 OOBSMQCTTSPGSU-LLVKDONJSA-N 315.377 2.457 0 40 DEAB O=C(c1c(F)cccc1Br)N1CCCOCC1 95407891 WUUSGYMRTSOBJE-UHFFFAOYSA-N 302.143 2.451 0 40 DEAB Cc1c(NC(=O)c2cscn2)c(=O)n(-c2ccccc2)n1C 63450597 KEAZSVRHPGDJCS-UHFFFAOYSA-N 314.370 2.193 0 40 DEAB COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCS(=O)(=O)C1 49394867 YGCNPRGLUKSGPH-SNVBAGLBSA-N 324.229 2.279 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)Cn1ccc2ccc(F)cc21 95472596 AREKDMPLZWKITQ-OAHLLOKOSA-N 303.381 2.381 0 40 DEAB CC(C)(NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 65403232 HTXKMMYZCMSGJW-CQSZACIVSA-N 300.402 2.296 0 40 DEAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)NCCC1=CCCCC1 6533307 XRPAVSVALQCSOL-SNVBAGLBSA-N 321.450 2.128 0 40 DEAB O=C(OCc1nc(-c2ccccc2Cl)no1)C1=COCCO1 6989660 XKFNWLGLFWASEP-UHFFFAOYSA-N 322.704 2.321 0 40 DEAB CCc1ccc(OCC(=O)Nc2ccc(-n3cnnn3)cc2)cc1 15646526 MUHCCMMZDSBOJT-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB CCN(Cc1cc(=O)n2nc(C)sc2n1)c1ccccc1 15731810 MAVHHQOKQQPPKJ-UHFFFAOYSA-N 300.387 2.486 0 40 DEAB in-vitro Cc1cnn(CC(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)c1 71843975 XLTOIYFXXGWYBA-CYBMUJFWSA-N 321.764 2.177 0 40 DEAB CC(C)c1noc([C@H](C)N2CCN(C[C@H]3CCCO3)CC2)n1 69351082 SOSRZRLZADNLCQ-UONOGXRCSA-N 308.426 2.051 0 40 DEAB CCO[C@@H](CC)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 69420299 SFBPVXFVIXASHP-HOCLYGCPSA-N 320.433 2.453 0 40 DEAB CN(C)S(=O)(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 69627666 LHVVUBOGNUTUIQ-OAHLLOKOSA-N 323.393 2.048 0 40 DEAB c1csc(CN2Cc3cncn3[C@@H](CN3CCCCC3)C2)n1 306123207 AHGBYSSFCYHZAQ-HNNXBMFYSA-N 317.462 2.382 0 40 DEAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ncc(Cl)n1C 69842856 HQTPUFYOBGDQHN-PWSUYJOCSA-N 318.808 2.441 0 40 DEAB Cc1c(O)cccc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97095161 GBLZCRGIKWHTEO-UHFFFAOYSA-N 312.373 2.434 0 40 DEAB C[C@@H](CCC(=O)O)NC(=O)Cc1ccccc1Br 97039204 ZGPAGHXXRGUAHE-VIFPVBQESA-N 314.179 2.361 0 40 DEAB Cc1conc1NS(=O)(=O)c1ccc(OCC(F)F)cc1 97085657 IWKVNQIROIFWQX-UHFFFAOYSA-N 318.301 2.428 0 40 DEAB CC(C)c1nc(C(=O)N2CCC[C@H](n3cncn3)C2)cs1 72235072 XSXVPGXOXIJSGA-NSHDSACASA-N 305.407 2.335 0 40 DEAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1c(C)nn(C)c1Cl 72268845 VEJAKVSKFSXGRP-CABCVRRESA-N 324.856 2.357 0 40 DEAB CC1=CCC[C@@H](C)[C@H]1CNCC1(S(C)(=O)=O)CCOCC1 97164263 INTXZVSYNPFNOA-CABCVRRESA-N 315.479 2.162 0 40 DEAB CC(C)CC[C@@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1 75093774 QFBLGZRZKBNQNX-CYBMUJFWSA-N 306.406 2.495 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1cnc2ccccc2n1 89532563 RWYVVEPIIVTTHH-UHFFFAOYSA-N 304.331 2.035 0 40 DEAB CC(C)(C)n1cc(CNC[C@H]2CCCN2c2cccnn2)cn1 75132753 FEQVWXVBNPVVSS-OAHLLOKOSA-N 314.437 2.187 0 40 DEAB Cc1cccc2c(CCNC(=O)NCc3nccn3C)c[nH]c12 76088477 QNZIXORHAFVTRA-UHFFFAOYSA-N 311.389 2.252 0 40 DEAB CN(C)CC[C@@H]1CN(C(=O)C2=CCCCC2)Cc2ccnn21 306127442 FYRYMCANYZNXQY-MRXNPFEDSA-N 302.422 2.219 0 40 DEAB CS(=O)(=O)Nc1ccc(CN(CCO)c2ccccc2)cc1 85822964 ZWVSXNRDILAGGU-UHFFFAOYSA-N 320.414 2.057 0 40 DEAB CCN(CC1CCN(CC(=O)O)CC1)C(=O)OC(C)(C)C 79410610 YRFWSSXOCBFGCV-UHFFFAOYSA-N 300.399 2.040 0 40 DEAB CC(C)(C)NC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1 38554778 XWFONCKUZFXRAZ-UHFFFAOYSA-N 301.394 2.193 0 40 DEAB COc1ccc(-c2noc([C@@H]3C[C@H](N(C)C)CN3C)n2)cc1 35424521 GSGQDEXTEZCKTR-JSGCOSHPSA-N 302.378 2.052 0 40 DEAB biogenic,in-vitro O=C(Cn1cccn1)N[C@H](CN1CCCCC1)c1ccccc1 36752333 WDAMDHWUZOZIDS-QGZVFWFLSA-N 312.417 2.227 0 40 DEAB C[C@@](O)(CNC(=O)c1ccsc1)c1ccc2c(c1)OCO2 75155418 FNBXWLQRJVGWQE-OAHLLOKOSA-N 305.355 2.114 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N[C@H](C)[C@H](O)c1ccc(F)c(F)c1 225543486 XHJBNBXPAZRFOX-HWPZZCPQSA-N 323.343 2.086 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)nc2)on1 80910575 LGSRSVPNFJDEGQ-SNVBAGLBSA-N 308.769 2.490 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCC3)cc2)C1 45958218 FYESRUPJFWKSJX-CYBMUJFWSA-N 302.374 2.203 0 40 DEAB CCCc1noc([C@H]2CCCCN2C(=O)c2cnn(C)c2)n1 40714494 YVUSJQZNDVTVHH-GFCCVEGCSA-N 303.366 2.123 0 40 DEAB COc1cccc(C(=O)NCc2ccnc(N3CCCC3)n2)c1 224197064 LJAIYYLNDDXKPO-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(OC)cc1 40039272 VVIOPULUJOTQLA-WFASDCNBSA-N 323.389 2.166 0 40 DEAB Cc1cc(CNC(=O)Nc2cccc(F)c2)nc(N(C)C)n1 190046784 MQGHBLYNTBTLNM-UHFFFAOYSA-N 303.341 2.312 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)NC[C@@H](O)C(C)C 96420201 JNRARGVUPCJJFX-CQSZACIVSA-N 302.378 2.319 0 40 DEAB CS[C@H](CO)[C@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 95445688 YHVCGNYPDPHZHT-JTEQPJATSA-N 316.426 2.477 0 40 DEAB Cc1cnc(N2CCCn3cnc(Cn4cccc4)c3C2)nc1 96259464 FBUKFIHJLBILMB-UHFFFAOYSA-N 308.389 2.242 0 40 DEAB Cc1cccc(CN2CC[C@]3(CCN(c4ncccn4)C3)C2=O)c1 96159600 KAZRMDQPQAODEQ-LJQANCHMSA-N 322.412 2.414 0 40 DEAB CN(C)c1ccncc1CN[C@@H]1CCN(C(=O)OC(C)(C)C)C1 96502944 UJMOQZUWIFDGCK-CQSZACIVSA-N 320.437 2.247 0 40 DEAB CCNC(=O)CNC(=O)Nc1cc(-c2nc(C)co2)ccc1C 96471085 PWAQFHJEUODDEF-UHFFFAOYSA-N 316.361 2.216 0 40 DEAB COC(=O)[C@H]1CCCN1Cc1cn(-c2ccc(Cl)cc2)nn1 96461013 CWSZTWDRSFLPBE-CQSZACIVSA-N 320.780 2.058 0 40 DEAB Cc1ccccc1O[C@H](C)CNC(=O)CNC(=O)C(C)(C)C 96426871 GZBTYHBMVVIKRZ-CYBMUJFWSA-N 306.406 2.041 0 40 DEAB O=S(=O)(CCc1ccccc1)NC[C@@H](O)c1ccccc1F 96428158 IZOICEBMXPUJGX-MRXNPFEDSA-N 323.389 2.021 0 40 DEAB COc1cccc([C@H](N)c2nc(COc3ccccc3)n[nH]2)c1 95533506 SDOGEXNGNDYGEC-INIZCTEOSA-N 310.357 2.440 0 40 DEAB Cc1noc(C)c1-c1ccc([C@H]2CCCN(C(=O)CN)C2)nc1 257206904 BFJZOXQPVNWNFW-AWEZNQCLSA-N 314.389 2.018 0 40 DEAB Cc1ccsc1C(=O)N[C@@H]1CC[C@@H](n2ccnc2C)[C@@H]1O 257207714 BIXLJFCYCCJFST-JHJVBQTASA-N 305.403 2.056 0 40 DEAB CO[C@H]1CCN(C(=O)Cc2ccc(F)cc2C)C[C@@]12CCCO2 257317062 VIEQCBOTFJHWJS-WMZOPIPTSA-N 321.392 2.473 0 40 DEAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1c1cnccn1 257313847 UUJKPCXUTSNJNA-HNNXBMFYSA-N 320.356 2.035 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@]2(C)c2nccc(C)n2)on1 257320927 VZISQNROLSETON-INIZCTEOSA-N 300.362 2.487 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(C)(c2nccs2)CC1 257283743 OZRXRDZHTVQJJX-ZDUSSCGKSA-N 321.446 2.034 0 40 DEAB COc1ccc(CN2CC(F)(F)C[C@@]3(CCNC3=O)C2)cc1 585093333 PQOVJAFPVYRTOH-HNNXBMFYSA-N 310.344 2.043 0 40 DEAB CCCc1cc(NC(=O)NN2Cc3ccccc3C2=O)n(C)n1 585140908 MQXMZBFKBHMIED-UHFFFAOYSA-N 313.361 2.065 0 40 DEAB O=C(N[C@H](Cc1ccccc1)CN1CCCCC1)[C@@H]1CCOC1 65501259 WTCRKOAUNSHNON-QZTJIDSGSA-N 316.445 2.236 0 40 DEAB O[C@@H](CN1CCC(Cn2cccn2)CC1)c1ccccc1F 69393669 LFUTYQGMWQZUCE-KRWDZBQOSA-N 303.381 2.468 0 40 DEAB Cc1cc(C(=O)COC(=O)[C@](C)(O)c2cccc(F)c2)c(C)[nH]1 70019033 QFKUPIKXIHALGG-QGZVFWFLSA-N 319.332 2.404 0 40 DEAB C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc2c(c1)CCO2 48234369 SNBLHLUYZPSZGV-LLVKDONJSA-N 307.371 2.124 0 40 DEAB Cc1noc(C2CCN(C(=O)c3c(C)nn(C)c3Cl)CC2)n1 54674461 VZRLVNSFWKRQKI-UHFFFAOYSA-N 323.784 2.093 0 40 DEAB CC(C)C(=O)Nc1cccc(F)c1C(=O)NC1CCC(O)CC1 72794189 WGJWPTCDRKWKDB-UHFFFAOYSA-N 322.380 2.454 0 40 DEAB Cc1cc(CN2CCN(c3nc(C)nc(C)c3C)CC2)on1 301432167 HIPMGRHZRJTBRX-UHFFFAOYSA-N 301.394 2.020 0 40 DEAB O=C(C[C@H]1C(=O)N=C2Nc3ccccc3N21)Nc1ccccc1F 13725219 AYWVTKWQIUUWHZ-AWEZNQCLSA-N 324.315 2.351 0 40 DEAB CCCc1cc(=O)[nH]c(SCc2ccc(C(N)=O)cc2)n1 16752806 WLSIMJINGKHCTB-UHFFFAOYSA-N 303.387 2.114 0 40 DEAB O=C(NCC1CCN(C2CCCC2)CC1)NC1CCOCC1 225550996 PBNXWRJQQGAKQD-UHFFFAOYSA-N 309.454 2.119 0 40 DEAB O=C(CSc1ccccn1)NC(=O)NCc1ccccc1 5622280 FWZHDPUKMNUECC-UHFFFAOYSA-N 301.371 2.200 0 40 DEAB O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccs1 24622999 GPYBIADBWZWMFT-UHFFFAOYSA-N 316.304 2.245 0 40 DEAB O=S(=O)(NC[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 25427243 GRZNQVBRZKRNNX-SNVBAGLBSA-N 309.309 2.163 0 40 DEAB CN1C(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2C1=O 567744 YTECEYOSAKTIEQ-UHFFFAOYSA-N 316.263 2.443 0 40 DEAB Cc1cccc(NC(=O)C[C@H](NCCCOC(C)C)C(=O)O)c1 4939485 PYTMADDKGXYZJJ-HNNXBMFYSA-N 322.405 2.182 0 40 DEAB COc1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2F)cc1 5251144 FIUWAVDGQWTXKG-UHFFFAOYSA-N 320.295 2.228 0 40 DEAB COc1ccccc1C1(C(=O)NC[C@]2(O)C=CCCC2)CC1 618257429 WDWWYNHFMKMCCN-KRWDZBQOSA-N 301.386 2.314 0 40 DEAB O[C@H]1CCN(C2CCN(c3cc(C(F)(F)F)ccn3)CC2)C1 664598347 TVRSSYHMBOEKNX-ZDUSSCGKSA-N 315.339 2.136 0 40 DEAB O=S(=O)(NCC[C@H](O)C1CC1)c1cccc2ccccc12 77108018 HNUTZCNLUVHVNC-HNNXBMFYSA-N 305.399 2.279 0 40 DEAB Cc1[nH]c2nc(NCc3c(F)cccc3Cl)nn2c(=O)c1C 101261629 IEJHOFNZTCYLKG-UHFFFAOYSA-N 321.743 2.439 0 40 DEAB NC[C@H]1CCCCN1C(=O)Cc1cccc(Br)c1 50041940 MZYLEFYVLFIQOK-CYBMUJFWSA-N 311.223 2.331 0 40 DEAB Cc1ccc2ncn(CC(=O)N[C@H]3CCCC[C@H]3C)c(=O)c2c1 40117042 DHNKNMDGFFMILB-HIFRSBDPSA-N 313.401 2.400 0 40 DEAB COc1cccc(OCC(=O)Nc2ccc(N(C)C)nc2)c1 20375596 CVXBUSZTBNRSQX-UHFFFAOYSA-N 301.346 2.174 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)no1 31732114 MXMBPIUPBRVRSG-VIFPVBQESA-N 316.317 2.197 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCCN(c3ncccn3)C2)C1 32795398 YCWUDPDXOFROQA-RBSFLKMASA-N 302.422 2.198 0 40 DEAB O=C(c1cccc(N2CCNC2=O)c1)N1CCc2ccccc2C1 32926676 BNSOQQWMTORWOH-UHFFFAOYSA-N 321.380 2.415 0 40 DEAB CCNC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O 508111 RSCCFTWPPWCRIO-UHFFFAOYSA-N 308.341 2.337 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ccc(=N)[nH]c2)CC12CC2 1857794652 GZWMNGCVTWIVIU-UHFFFAOYSA-N 304.394 2.084 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N2CCC[C@H](O)C2)no1 77678741 AITVIFDQPPSTSC-NSHDSACASA-N 302.334 2.034 0 40 DEAB CCCNC[C@H](O)COc1ccc2c3c(c(=O)oc2c1)CCC3 1590603 MDRIKKUAZCPOBY-LBPRGKRZSA-N 317.385 2.021 0 40 DEAB O=C(OCC[C@@H]1CCCCO1)c1cccc(-n2ccnc2)n1 97166116 JQPJKNKUODCUAX-ZDUSSCGKSA-N 301.346 2.383 0 40 DEAB CC/N=c1/scc(-c2ccc3c(c2)NC(=O)CO3)n1CC 105777075 MQKYXUSJXANQJX-FOCLMDBBSA-N 303.387 2.488 0 40 DEAB COc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1 4907737 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COc1ccc(NC(=O)COC(=O)c2cnc(C)s2)cc1 58003732 RTHBYJOAUNABMO-UHFFFAOYSA-N 306.343 2.256 0 40 DEAB C[C@@H]1CN(c2ccc(CNCc3cccc(O)c3)cn2)CCO1 58195539 YFNJMXUFWQSSOP-CQSZACIVSA-N 313.401 2.302 0 40 DEAB O=C(NCCCOC[C@@H]1CCCO1)c1cc(-c2ccco2)on1 55147346 ODEFEYKCBRYBMT-LBPRGKRZSA-N 320.345 2.250 0 40 DEAB COc1ccccc1C[C@H]1CCCN1C(=O)c1csnn1 58984431 BIAGBJVWTXPJEK-GFCCVEGCSA-N 303.387 2.394 0 40 DEAB O=S(=O)(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1 40614270 HAWLOZUQFCZLPQ-OAHLLOKOSA-N 320.414 2.395 0 40 DEAB CC(C)Oc1ccc(NC(=O)C[C@@H]2CNCCO2)cc1Cl 91300260 USHDHPAFLAAJOX-GFCCVEGCSA-N 312.797 2.444 0 40 DEAB Cc1cccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2)c1 1202321088 REBJLJUEHHEWLZ-HNNXBMFYSA-N 303.406 2.370 0 40 DEAB CS(=O)(=O)N[C@H]1CCN(Cc2cc(Cl)ccc2Cl)C1 96424425 FDCXQHSEEIRZSG-NSHDSACASA-N 323.245 2.117 0 40 DEAB CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)cn1 1548447987 AROUPEFTTFRQHW-UHFFFAOYSA-N 313.283 2.152 0 40 DEAB CC(C)Sc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 5016859 JKFKXYKULMJUDD-UHFFFAOYSA-N 311.455 2.419 0 40 DEAB COc1ccc(N(C(=O)C(C)(C)C)[C@H]2C=CS(=O)(=O)C2)cc1 5071421 ILLHGRQJOOIEBY-ZDUSSCGKSA-N 323.414 2.385 0 40 DEAB C=C1C2=C(Nc3nnnn3[C@@H]2c2ccccc2)C(=O)N1CCCC 15080036 TXHHEVWYYAPCDF-OAHLLOKOSA-N 322.372 2.098 0 40 DEAB O=C(CNC(=O)c1ccccc1)N[C@H]1CCOc2ccccc21 28665262 PHYZQXLPPDNKPS-HNNXBMFYSA-N 310.353 2.056 0 40 DEAB COCc1cn(C2C[C@@H]3CC[C@H](C2)N3CC(F)(F)F)nn1 1888834370 VICZYZVNJKFTNP-FOSCPWQOSA-N 304.316 2.155 0 40 DEAB COc1ccc(NC(=O)c2cc(C(F)(F)F)nc(C)n2)cn1 1888850307 BGRSRRMZDRBJPM-UHFFFAOYSA-N 312.251 2.460 0 40 DEAB COC(=O)CCCn1ccc(NC(=O)c2ccc(F)cc2)n1 4786686 IKKMDQAVAOUBCR-UHFFFAOYSA-N 305.309 2.228 0 40 DEAB C[C@H]1C(=O)NCCN1C(=O)CCCSc1ccc(F)cc1 12443704 BEIZSVDYEXUUBW-NSHDSACASA-N 310.394 2.045 0 40 DEAB O=C(Cn1cnc2ccccc21)NC[C@@H]1Cc2ccccc2CO1 225784266 OWMOORUHOCXRLB-INIZCTEOSA-N 321.380 2.294 0 40 DEAB CCCCC[C@H](C)NC(=O)c1ccc(S(=O)(=O)N(C)C)o1 40512008 JCQVJLHILAWUII-NSHDSACASA-N 316.423 2.229 0 40 DEAB COc1cc(C(=O)N(C)OC)cc(OC)c1Br 32768373 XRYOXWLGETWHJV-UHFFFAOYSA-N 304.140 2.100 0 40 DEAB C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1ccnc1 52360678 ODFBRSVCYOATLI-DOMZBBRYSA-N 303.337 2.183 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 53203077 WOTJORYBKAWDPS-SECBINFHSA-N 323.245 2.366 0 40 DEAB Cn1cc(-c2nc(Cn3nnc(-c4ccccc4)n3)cs2)cn1 47171159 HELNVEDMWLICKH-UHFFFAOYSA-N 323.385 2.245 0 40 DEAB CC(C)[C@@H](CNC(=O)Nc1ccccc1F)N1CCN(C)CC1 22932047 UWQKCGMUYPBJGE-MRXNPFEDSA-N 322.428 2.219 0 40 DEAB CNC(=O)[C@H](NC(=O)CS[C@H](C)C(C)C)c1ccccc1 79077574 BUOPYUXYDLUMJX-IUODEOHRSA-N 308.447 2.368 0 40 DEAB CNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 1391128 VUUAHAUGSVIGDV-UHFFFAOYSA-N 310.275 2.275 0 40 DEAB COc1ccc([C@H](C)NC(=O)NCCn2ccnc2)cc1F 43312090 TZKORIDYNCULPZ-NSHDSACASA-N 306.341 2.091 0 40 DEAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1ccc2c(c1)OCCO2 62001556 AAOCWUAGGVVIAJ-MJGOQNOKSA-N 322.364 2.382 0 40 DEAB biogenic Cc1n[nH]c([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CCCCC3)CCO2)n1 107140155 NKNZBELXYWYBME-ZNMIVQPWSA-N 318.421 2.229 0 40 DEAB Cc1noc([C@H](C)N[C@@H](C)c2ccc3c(c2)NC(=O)CO3)n1 27034929 HGCNCVFGZULNAO-IUCAKERBSA-N 302.334 2.121 0 40 DEAB CCc1cccc2c(C(=O)N(CC)[C@@H]3CC(O)=NC3=O)c[nH]c12 95396462 NYVYTPWLKLMRLX-CYBMUJFWSA-N 313.357 2.448 0 40 DEAB CCOc1ccccc1/C=C/C(=O)NC1CCN(C(C)=O)CC1 44870883 VBRYZVIDWYCXML-CMDGGOBGSA-N 316.401 2.226 0 40 DEAB COc1ccc(CN(C)CC(=O)Nc2nccs2)cc1OC 44888952 FUPURBUDJMIJQJ-UHFFFAOYSA-N 321.402 2.231 0 40 DEAB O=C(NCCCn1cccn1)[C@@H]1COc2ccc(Cl)cc2C1 44911047 KTBIUEDREPWYTI-ZDUSSCGKSA-N 319.792 2.294 0 40 DEAB CC(C)(C)c1ncc(C(=O)Nc2nc(CC(N)=O)cs2)s1 58406509 UWBNUMBTXBRAJL-UHFFFAOYSA-N 324.431 2.177 0 40 DEAB O=C(COCCc1ccccc1)N[C@@H]1CCC[C@H]1n1ccnc1 58683107 KUJPBAAEUZXUIJ-IAGOWNOFSA-N 313.401 2.352 0 40 DEAB COC(=O)CCNC(=O)C1(c2ccc(OC)cc2)CCCC1 58792859 MVXYHYDYDHAZDP-UHFFFAOYSA-N 305.374 2.186 0 40 DEAB C[C@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)[C@H](C)CO1 45447870 NXIKCMXBCCISEP-OLZOCXBDSA-N 315.373 2.305 0 40 DEAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cnn2cccnc12 47009772 WFCCIIVPPQRTED-JSGCOSHPSA-N 302.378 2.054 0 40 DEAB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Cl)nc1 3537794 MKPHKPZAEBYCAR-UHFFFAOYSA-N 321.745 2.161 0 40 DEAB O=C1C[C@H](C(=O)OCC(=O)c2ccc[nH]2)c2ccc(F)cc2N1 12937193 IUTVNJHHFUHYFV-NSHDSACASA-N 316.288 2.006 0 40 DEAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)O 13363126 QBIOSHJUVTXKEF-UHFFFAOYSA-N 315.347 2.411 0 40 DEAB CN(Cc1ccsc1)C(=O)COC(=O)c1ccccc1O 19312406 OUDURKRBTVPGQR-UHFFFAOYSA-N 305.355 2.269 0 40 DEAB CCc1c(C(=O)N2CCC[C@H](N(C)C)C2)cnn1C(C)(C)C 65494602 DWDRPTWUHLFGOX-ZDUSSCGKSA-N 306.454 2.367 0 40 DEAB COc1cccc(OC)c1C(=O)O[C@H](C)C(=O)NC1CCCC1 5537872 FPHQTLPPPHNMNC-LLVKDONJSA-N 321.373 2.308 0 40 DEAB Cc1cc(C(=O)NN2C(=O)NC3(CCC(C)CC3)C2=O)c(C)o1 14701147 AHQUTWDDLNKZOI-UHFFFAOYSA-N 319.361 2.042 0 40 DEAB COc1cc(=O)[nH]c(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1 4999450 UREJBVZVYRBJCC-JTQLQIEISA-N 319.386 2.206 0 40 DEAB Cc1nn(C)c(C)c1CNCCCCN1C[C@@H](C)O[C@H](C)C1 67452813 RYPJHTFLCBCDNL-ZIAGYGMSSA-N 308.470 2.016 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1Br 90230859 SQSSRFQETLVTEF-UHFFFAOYSA-N 316.180 2.281 0 40 DEAB COc1cc(C)ccc1OCCC(=O)N(C)C1CCN(C)CC1 68467591 KZELSXPDTRSDPN-UHFFFAOYSA-N 320.433 2.325 0 40 DEAB CS(=O)(=O)N1CCc2cc(C(=O)N3CCCCCC3)ccc21 7912599 QNTRBLGSXAPTPJ-UHFFFAOYSA-N 322.430 2.025 0 40 DEAB COc1ccc([C@@H](NC(=O)Nc2ncnn2C)C2CC2)cc1 91182667 YVPPLTRZNMTJQI-ZDUSSCGKSA-N 301.350 2.097 0 40 DEAB Cc1noc(CCNC(=O)N[C@H]2CCCOc3ccccc32)n1 71792654 MOIUBMWNILYYLV-ZDUSSCGKSA-N 316.361 2.134 0 40 DEAB NC(=O)c1ccc(COC(=O)c2cc(O)nc3ccccc23)cc1 16753803 BMQILTQIWOTSKB-UHFFFAOYSA-N 322.320 2.396 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Nc1ccnn1Cc1ccccc1 69349705 MSRCIZMICFYTTB-CQSZACIVSA-N 324.388 2.338 0 40 DEAB O=S(=O)(c1cccnc1)N(CC1CCC1)CC(F)(F)F 96454076 MCKHXNLZSZJSNK-UHFFFAOYSA-N 308.325 2.435 0 40 DEAB COc1ccc(C)cc1CSCc1nc(N)nc(N(C)C)n1 69509497 ARFJWSQQYNYQPL-UHFFFAOYSA-N 319.434 2.270 0 40 DEAB Cc1nn(CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c(C)c1Cl 69571432 WLCLFKBCXVPOBR-KBPBESRZSA-N 324.856 2.239 0 40 DEAB Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H](N(C)C)C2)c(N(C)C)c1 91764514 IXWXRVHVWPKXBS-HZPDHXFCSA-N 318.465 2.343 0 40 DEAB COc1ccc(NC(=O)[C@H]2CCN(C)C2)cc1OC(F)F 69652796 RJEPGFIEPNTTAE-VIFPVBQESA-N 300.305 2.187 0 40 DEAB O=C(O)[C@H]1CC(=O)N(CCc2cccnc2)[C@@H]1c1cccs1 69843366 OOVOQSCXSIBQAS-WFASDCNBSA-N 316.382 2.360 0 40 DEAB COc1ccsc1C(=O)NCCC(=O)Nc1cccc(C)n1 69809684 VVPGUSFOYDAZTR-UHFFFAOYSA-N 319.386 2.219 0 40 DEAB O=C(C1=Cc2ccccc2OC1)N1CCC[C@@H]1Cn1cccn1 69951954 YRXVATCNEZQGOY-MRXNPFEDSA-N 309.369 2.350 0 40 DEAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCc1cscn1 71896358 ZQLHQGHDLJCULT-UHFFFAOYSA-N 313.423 2.105 0 40 DEAB CC1(C)OC[C@H](COC(=O)c2ccc(Br)o2)O1 97035206 IXWQJEWTNARCCZ-ZETCQYMHSA-N 305.124 2.350 0 40 DEAB COC(=O)c1ccc(C)c(NCc2ccc(C(=O)N(C)C)[nH]2)c1 97048910 SQHKZLYYMFTFHO-UHFFFAOYSA-N 315.373 2.424 0 40 DEAB COc1cccc([C@@H](O)CN2CCC[C@H](c3ccn[nH]3)C2)c1 72286213 RHDQOQJLXFMTMS-YOEHRIQHSA-N 301.390 2.331 0 40 DEAB Cc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1 72270098 QWCHNMWYYKRPTK-MRXNPFEDSA-N 310.401 2.468 0 40 DEAB O=C(NCC(F)F)c1ccccc1I 72305426 NETILKFZRYUDCK-UHFFFAOYSA-N 311.069 2.286 0 40 DEAB NS(=O)(=O)N[C@@H](c1ccccc1)c1cc2ccccc2o1 74039556 GHGPTADQVFQEMY-HNNXBMFYSA-N 302.355 2.315 0 40 DEAB Cc1nc([C@H](NC(=O)C2=CCCCO2)c2ccccc2F)no1 74678224 WIMUGYSZWWKRLK-CQSZACIVSA-N 317.320 2.417 0 40 DEAB CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C(=O)O 89279685 GALIWSGCDJHYRH-NVBFEUDRSA-N 321.373 2.272 0 40 DEAB C[C@@H](NC(=O)NCC(C)(C)O)c1nc(C2CCCCC2)no1 74909559 QWONQMRYICTTPR-SNVBAGLBSA-N 310.398 2.248 0 40 DEAB O=C(NCc1nc[nH]n1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 75136902 PGTMZJPPJPBSHH-QWRGUYRKSA-N 310.279 2.243 0 40 DEAB CC[C@@H](c1ccncc1)N(CC)C(=O)[C@@H]1CCN(C)C(=O)C1 75143949 XUKJPZYIAZEIKY-CABCVRRESA-N 303.406 2.250 0 40 DEAB CC(C)[C@H]1CN(C(=O)NC[C@H](C)Cn2cccn2)CCS1 76085591 GFXVKXLJKFPLPM-UONOGXRCSA-N 310.467 2.302 0 40 DEAB O=C(NCCOc1ccc(Cl)cc1)NC[C@@H]1CC[C@@H](O)C1 189785974 OOCDZPHIKNMPOU-DGCLKSJQSA-N 312.797 2.179 0 40 DEAB C[C@H](NC(=O)NCc1cn(C)cn1)c1nccn1-c1ccccc1 1564871669 WEIUHMKIMKBMKS-ZDUSSCGKSA-N 324.388 2.166 0 40 DEAB COc1ccc(-c2cc(CNC(=O)c3cnccn3)no2)cc1 38753617 HVRGFVFBRVCMGO-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB COc1ccc(NC(=O)[C@H]2CCC(=O)N2Cc2ccco2)cc1 72239588 NHGAVGYRLCJJDS-OAHLLOKOSA-N 314.341 2.418 0 40 DEAB CC[C@H]1CN(c2nc(C(=O)O)co2)CCN1Cc1ccccc1 563204592 FLOOCTRYMQEUFD-AWEZNQCLSA-N 315.373 2.474 0 40 DEAB CCOc1ccc(NC(=O)Cn2c(C)nc(CC)cc2=O)cc1 49404630 DNIQVVMCZLGYQZ-UHFFFAOYSA-N 315.373 2.152 0 40 DEAB Ic1ccc(COC[C@H]2CCNC2)cc1 42773922 FRDZEUKJVXEXBD-NSHDSACASA-N 317.170 2.417 0 40 DEAB COc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1C(N)=O 225959629 XIVYCXWUSKVTQG-UHFFFAOYSA-N 310.353 2.464 0 40 DEAB CCN(CC)C(=O)Cc1ccccc1-c1nn2cnnc2s1 41126844 ADJPJEBNBHEZFM-UHFFFAOYSA-N 315.402 2.264 0 40 DEAB CC1(C)C[C@@H](C(=O)N2CCC(c3nnc(O)o3)CC2)C(C)(C)O1 529275033 YUUVOHVLHXBVQQ-NSHDSACASA-N 323.393 2.075 0 40 DEAB COCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)ccc1OC 224399596 PQCLWDXRZFMJPF-UHFFFAOYSA-N 314.341 2.193 0 40 DEAB Cc1nnsc1C(=O)NCc1cccnc1-c1ccco1 225659482 GKVCYEOVLZFOOF-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB CC(C)(CN[C@@H]1CCc2cccnc2CC1)C1(O)CCOCC1 333797089 XKRNQMJMHFMMKA-MRXNPFEDSA-N 318.461 2.486 0 40 DEAB O=C(NCCC1CCCC1)N[C@@H]1CCN(CC(F)(F)F)C1=O 96405634 ZVIRYHWWYIDMFR-LLVKDONJSA-N 321.343 2.029 0 40 DEAB C[C@@H](CNC(=O)NC[C@@H]1CCOC1)Oc1cccc(Cl)c1 96439428 DJJWBMJUXGZTMH-RYUDHWBXSA-N 312.797 2.443 0 40 DEAB COC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccoc1C 96484471 YKLUDPGAIADJDV-CQSZACIVSA-N 305.305 2.241 0 40 DEAB C[C@@H](NCC[C@H]1CCCN1C)C1(N2CCOCC2)CCCC1 97101754 KXKQVNNSHDEDTM-IAGOWNOFSA-N 309.498 2.094 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)NC[C@@H](O)C(C)C)no1 96420128 WBCFTNVUEVAOEY-CYBMUJFWSA-N 304.350 2.183 0 40 DEAB CO[C@H]1CCN(C(=O)c2ccnnc2)C[C@@H]1Cc1ccccc1 96207148 OPPKKZDFGMFTSW-IRXDYDNUSA-N 311.385 2.196 0 40 DEAB C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1cccc(CO)c1 97231041 PKTZSDFROHCWKR-BXUZGUMPSA-N 302.340 2.466 0 40 DEAB Cc1nnc([C@H]2CO[C@@H]3CN(C(=O)c4sccc4C)C[C@@H]32)o1 96216826 LFYIYMYHSWVMTB-GRYCIOLGSA-N 319.386 2.003 0 40 DEAB CC[C@@]1(C)Oc2ccc(NC(=O)Cc3cnn(C)c3)cc2O1 97104339 QNKPGURLWSVXRP-INIZCTEOSA-N 301.346 2.499 0 40 DEAB CC(C)N1CCCC[C@@H]1C(=O)NCC[C@H](O)c1ccccc1 96449131 WJRIWKRRJLTMCG-SJORKVTESA-N 304.434 2.489 0 40 DEAB Cc1c(NCc2ccccn2)cccc1C(=O)N1CCOCC1 98172678 QUUWNUSEEHTDEM-UHFFFAOYSA-N 311.385 2.475 0 40 DEAB Cc1cc(CC2CCN(CC(=O)N3CCCC3)CC2)ccn1 257310147 UDVUBPHMHYJHFD-UHFFFAOYSA-N 301.434 2.267 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)CCn2nccc2C)ccn1 257344785 ZYQXVHUMTJQPKB-OAHLLOKOSA-N 313.405 2.382 0 40 DEAB O=C(CCCCCO)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O 725445595 FEZGLJUGCJTQPM-ZDUSSCGKSA-N 313.781 2.005 0 40 DEAB FC(F)(F)Cn1nnnc1-c1ccc(Br)cn1 685938297 POLDMAFZFQWEFA-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB CCN1CCN(CC(=O)N[C@H](c2cccs2)C(C)C)CC1 29596874 ZZQUZIOUHQNTNY-INIZCTEOSA-N 309.479 2.199 0 40 DEAB Cc1c([C@@H](C)NC(=O)Nc2nnc(C3CC3)s2)cnn1C 43359253 NKJWFNZLXCRPEQ-SSDOTTSWSA-N 306.395 2.340 0 40 DEAB CC(C)c1nc(CS(=O)(=O)c2ncccc2Cl)no1 49101559 OHFLJSWDGDXPEW-UHFFFAOYSA-N 301.755 2.215 0 40 DEAB CCc1nnsc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 95400078 PIBNTLDXENWRRW-VIFPVBQESA-N 316.386 2.336 0 40 DEAB CN(CCN[C@@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O 96493136 VLAWXSHDMKZQRF-CQSZACIVSA-N 316.854 2.272 0 40 DEAB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1C 555248 MXFLCCHIKYQVFM-ZROIWOOFSA-N 315.373 2.046 0 40 DEAB COc1cccc(OC)c1CN(CCO)Cc1cccnc1 13569574 WURIDNRRAIMKSY-UHFFFAOYSA-N 302.374 2.093 0 40 DEAB COc1cc(C=O)ccc1OCC(=O)N1C[C@H](C)C[C@@H](C)C1 13608953 OAVCUEHHWYCZBW-CHWSQXEVSA-N 305.374 2.391 0 40 DEAB Cc1nc(O)c2c(n1)CN(Cc1cccn1-c1cccnc1)CC2 19576631 DHOZGNYXWARYAR-UHFFFAOYSA-N 321.384 2.235 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@@](C)(O)Cc2ccco2)c1 206613734 BNNRUEQZYPWTTR-KRWDZBQOSA-N 302.374 2.069 0 40 DEAB O=C(CCNc1ccnc(Cc2ccccc2)n1)N1CCCC1 165128312 SNFCYUHIPODXST-UHFFFAOYSA-N 310.401 2.492 0 40 DEAB CCc1noc(C)c1C(=O)N1CCO[C@H](c2ccncc2)C1 1848352150 MPQODDDIKFOBLA-AWEZNQCLSA-N 301.346 2.154 0 40 DEAB COc1cccc(CC(=O)N2CCO[C@H](c3ccncc3)C2)c1 1848352168 YNASKHNEFJYTAG-KRWDZBQOSA-N 312.369 2.233 0 40 DEAB CN(C[C@@H]1CCCO1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 102897568 TZXHAEWLQKQJCH-ZDUSSCGKSA-N 303.337 2.467 0 40 DEAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(C(N)=O)cc1 6123657 KVVXYJFMAJFMQA-SNVBAGLBSA-N 302.305 2.331 0 40 DEAB CCn1c(S)nnc1-c1c(Br)c(C)nn1C 8339821 LHDCLMLYBRQHGE-UHFFFAOYSA-N 302.201 2.058 0 40 DEAB O=S(=O)(c1cccc(Cl)c1)N1CC(Oc2cccnc2)C1 238835915 GROZMBMWMUQNHV-UHFFFAOYSA-N 324.789 2.187 0 40 DEAB COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@H]2C[C@H]1[C@H]3Sc1ccccc1 15080696 RXCQJOLPGSZLQC-XADZXUCXSA-N 304.367 2.128 0 40 DEAB Cc1cccc(C(=O)N[C@H]2CCc3onc(CN(C)C)c3C2)c1 2055734719 NZTMPYGTHAKFSM-AWEZNQCLSA-N 313.401 2.332 0 40 DEAB CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3ccsc3)C[C@@H]2C1 2055772527 QUSAKBTYSDJOCR-CHWSQXEVSA-N 306.431 2.325 0 40 DEAB O=c1ccncn1CC1CCN(Cc2cc(F)cc(F)c2)CC1 585636156 DSCSLZCXIKFUML-UHFFFAOYSA-N 319.355 2.434 0 40 DEAB CC(C)OC(=O)CCNS(=O)(=O)C1=Cc2ccccc2CC1 40005763 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COC(=O)C1CCN([C@H](C(=O)O)c2c[nH]c3ccccc23)CC1 12391587 OWINUAQUMSSKTL-HNNXBMFYSA-N 316.357 2.179 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccco2)o1 79588248 WTQSDPAVGWWDME-VXGBXAGGSA-N 303.314 2.469 0 40 DEAB O=C1NCCCC[C@H]1Sc1ccc(C(=O)N2CCCC2)cn1 42733114 JTGGONHYKHZOMR-CYBMUJFWSA-N 319.430 2.078 0 40 DEAB CCN(CC)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 6435801 LSCVTZDTWUJEHP-UHFFFAOYSA-N 310.463 2.186 0 40 DEAB C[C@H](NCC(C)(C)CN(C)C)C(=O)NCCc1ccc(F)cc1 7015259 IGYUBPDFDWHIHY-AWEZNQCLSA-N 323.456 2.050 0 40 DEAB COc1nc(NC(=O)c2ccc(-c3cccs3)nc2C)n[nH]1 97048543 BQPLAQMGFPSVDI-UHFFFAOYSA-N 315.358 2.498 0 40 DEAB Cc1nnc(NC(=O)NC[C@H]2COc3ccccc3C2)s1 43408798 MBKOFUNGNKWAFT-JTQLQIEISA-N 304.375 2.219 0 40 DEAB C[C@H](CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 25515966 DOWXTJTUCAJQJD-OAHLLOKOSA-N 304.434 2.407 0 40 DEAB COc1cccc(NC(=O)COC(=O)Cc2ccsc2)c1 3219229 NLHCBWXJTZVRHB-UHFFFAOYSA-N 305.355 2.481 0 40 DEAB CCc1noc(C)c1C(=O)N[C@H](CC(=O)O)c1ccccc1 72279417 OZDPZWQWTCYKKD-CYBMUJFWSA-N 302.330 2.491 0 40 DEAB O=C1NCCCC[C@@H]1N1CCN(c2ccccc2Cl)CC1 57363706 VSMVVNOHEFHIBH-HNNXBMFYSA-N 307.825 2.131 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1nnc(C2CC2)o1 72268680 QZFPSIWXMCVZSM-ZIAGYGMSSA-N 318.421 2.312 0 40 DEAB Cc1cnn(CCNCC(=O)N[C@H](C)c2ccc(C)c(C)c2)c1 72253049 QGFYJPWLHFLJJD-MRXNPFEDSA-N 314.433 2.275 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@H]1CN1CCCC1 58328800 XCKVFXQSGQBQMV-AWEZNQCLSA-N 310.401 2.330 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 10681670 FDUPMTAYHVKLOI-MRVPVSSYSA-N 310.202 2.403 0 40 DEAB O=C(COC(=O)COc1ccccc1)Nc1cccc(F)c1 3388518 KPRPFUVPPLUXGT-UHFFFAOYSA-N 303.289 2.386 0 40 DEAB NC(=O)c1cnc(NC[C@@H]2Cc3ccccc3O2)c(Cl)c1 48363092 CAPCQGHRSHVLRA-NSHDSACASA-N 303.749 2.250 0 40 DEAB COC(=O)CCS[C@@H](C)C(=O)Nc1ccc(N(C)C)cc1 11475438 SZQXKAZOOSGZQC-NSHDSACASA-N 310.419 2.376 0 40 DEAB O=C(Cc1nc2ccccc2[nH]1)NCc1ccc2c(c1)OCO2 2655601 ZJSXJAZFCPPJFJ-UHFFFAOYSA-N 309.325 2.151 0 40 DEAB COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2O)c1 2616674 SKZRNNPSQXIGOG-UHFFFAOYSA-N 316.309 2.449 0 40 DEAB COC(=O)[C@@](C)(O)CNc1ncc(C(F)(F)F)cc1Cl 97146530 IUEWHYOJRZRCQU-JTQLQIEISA-N 312.675 2.090 0 40 DEAB COC(=O)c1cccc(NC(=O)COc2ccc(OC)cc2)c1 13596161 YDBFJCJFGRGSSK-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB CC(C)(C)c1n[nH]cc1CNC[C@@H]([C@H]1CCOC1)N1CCCC1 65463013 XCGPKGTUWZPQKT-HOCLYGCPSA-N 320.481 2.298 0 40 DEAB Cn1cnc(S(=O)(=O)N2CCCc3cccc(Cl)c32)c1 65565223 WIOWGYUUELQUAU-UHFFFAOYSA-N 311.794 2.215 0 40 DEAB COc1ccc(F)cc1CN1C(=O)N[C@](C)(c2ccco2)C1=O 65553958 GMCZBMHHNJZBEB-MRXNPFEDSA-N 318.304 2.395 0 40 DEAB Cc1nccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)n1 65516404 MDUHBLHUZGKZSY-SNVBAGLBSA-N 310.357 2.161 0 40 DEAB CCOc1ccc(C(=O)C[C@H](NCc2ccco2)C(=O)O)cc1 5336393 FXMUGMFCEHYVAF-HNNXBMFYSA-N 317.341 2.494 0 40 DEAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc3c(c2)CCC(=O)N3)cn1 66044794 ZXHHWFKJIXZNGP-ZIAGYGMSSA-N 310.357 2.047 0 40 DEAB CCOC(=O)[C@@H](C[C@@H]1CC(c2ccc(OC)cc2)=NO1)C(C)=O 6658053 XOIIZUSFRFCVKQ-CABCVRRESA-N 319.357 2.347 0 40 DEAB 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O=C(/C=C/c1ccccc1Cl)N[C@@H]1CC(=O)N(C2CC2)C1 75158411 GCYAKDQZPYQIRF-FZKGZDJFSA-N 304.777 2.233 0 40 DEAB CC(C)c1ncc(C2=NO[C@](C)(C(=O)N3CCCCC3)C2)cn1 226082421 ZEMYMOVANSHWPF-KRWDZBQOSA-N 316.405 2.496 0 40 DEAB C[C@@H](NC(=O)c1cc(N2CCOCC2)on1)c1ccc(F)cc1 224082296 MBVMXOXUYOPPBL-LLVKDONJSA-N 319.336 2.141 0 40 DEAB CCCNC(=O)C1CCN(C(=O)c2cccc(OC)c2)CC1 42711948 AWGMAHHVYGJCSC-UHFFFAOYSA-N 304.390 2.074 0 40 DEAB Cc1nc2ccccc2nc1CS(=O)(=O)C[C@@H]1CCCO1 89556216 VVWLYMIUMDJSEP-LBPRGKRZSA-N 306.387 2.032 0 40 DEAB C[C@H]1Cc2ccccc2N1CCNC(=O)c1[nH]nc2c1CCCC2 195724256 HOYGGHQFCJUQCJ-ZDUSSCGKSA-N 324.428 2.470 0 40 DEAB C[C@]1(C(=O)NC[C@H]2CCCO2)CC(c2ccc(F)cc2)=NO1 226749332 JSBISCFZICCOLV-CZUORRHYSA-N 306.337 2.004 0 40 DEAB CSc1nc(CC(=O)O)cc(NCCc2ccccc2)n1 225010274 FKKNZEIIZFIXHJ-UHFFFAOYSA-N 303.387 2.480 0 40 DEAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1nccs1)C2 96086899 MXMXHADAYCSWHJ-CQSZACIVSA-N 318.446 2.403 0 40 DEAB CCn1c(C)nnc1CS(=O)(=O)[C@@H]1CCc2c(F)cccc21 95459470 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CC[C@@H](C)NC(=O)C1CCN(C(=O)Cc2ccccc2)CC1 244542090 ZZEKENKIKKJPBZ-CQSZACIVSA-N 302.418 2.382 0 40 DEAB CCc1nnsc1C(=O)N1CCO[C@H](c2ccnc(C)c2)C1 257223118 DVXYKAIUBNCZPP-ZDUSSCGKSA-N 318.402 2.018 0 40 DEAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1cc2ccccc2o1 257215155 COYFGEHBCILTHS-SFHVURJKSA-N 322.368 2.199 0 40 DEAB Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257203395 APVFEPBQBQYWCE-CQSZACIVSA-N 302.378 2.240 0 40 DEAB NC(=O)NC[C@H]1CCCCN1C(=O)CCc1cccc(Cl)c1 69819236 IHYXCOONDQQUMG-CQSZACIVSA-N 323.824 2.322 0 40 DEAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)Cn2cc(Cl)cn2)C1 257292548 QMBBNPHJAAZCKS-GFCCVEGCSA-N 321.812 2.049 0 40 DEAB CC[C@@H](C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)COC)[C@H]2C1 585109688 IQHYNNAEGFBQGR-BLBBIFAFSA-N 302.418 2.318 0 40 DEAB COCC1CCN(C(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 71900307 WKJZTKKXSHBWME-OAHLLOKOSA-N 324.465 2.156 0 40 DEAB CCCOc1cccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1 40516353 CYJIHVMJQRVYDE-LBPRGKRZSA-N 311.403 2.239 0 40 DEAB CN1C[C@@H](C(=O)NC2CCC2)[C@@H]2COc3ccc(F)cc3[C@@H]21 1772595937 UFTAFRNDJIIBPK-YCPHGPKFSA-N 304.365 2.106 0 40 DEAB C[C@H]1CN(CC(=O)N[C@H]2CCCc3ccccc32)C[C@@H](C)O1 12620881 XJDNEVGPHXOOIN-VBQJREDUSA-N 302.418 2.289 0 40 DEAB CNC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 13249195 NYJGAZWEKPYFBT-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB CC[C@@H](C(=O)NC(C)(C)C)N(c1ccccc1)S(C)(=O)=O 13710940 UVZZDCJIEOXAKG-ZDUSSCGKSA-N 312.435 2.146 0 40 DEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3C(C)C)n2)cc1 15674712 WRHVAGVJOSWAPJ-OCCSQVGLSA-N 303.362 2.261 0 40 DEAB biogenic,in-vitro Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1Cc1ccsc1 19286379 MLAIKGLLMAIEMZ-OLZOCXBDSA-N 301.415 2.272 0 40 DEAB O=C(c1ccccn1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19399935 NMZOMPVLLQONAX-CYBMUJFWSA-N 307.313 2.114 0 40 DEAB Cc1ncc(C(=O)N2CCN(c3ccccc3F)CC2)c(C)n1 19937092 YRTLFSRLAQURMA-UHFFFAOYSA-N 314.364 2.195 0 40 DEAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)oc2ccccc12 643550372 WTCLLFNTTBANAU-UMVBOHGHSA-N 303.358 2.088 0 40 DEAB CC(C)CNC(=O)C[C@@H]1CSc2nc(C(C)C)cc(=O)n21 11613539 YVBUPKZLCIHREI-LLVKDONJSA-N 309.435 2.176 0 40 DEAB COc1ccc(Nc2c3c(nc4ncnn24)CCC3)c(OC)c1 1326793 QONHDNGRDNPOMI-UHFFFAOYSA-N 311.345 2.374 0 40 DEAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1 3521396 TZAQIUNGQLGDAR-LLVKDONJSA-N 318.373 2.249 0 40 DEAB C[C@H]1CCCCN1C(=O)c1ccc(CN2C(=O)CCC2=O)cc1 23296470 PMAMMJHOBLMCTJ-ZDUSSCGKSA-N 314.385 2.350 0 40 DEAB CN(CCOc1ccccc1)Cc1nc2sccc2c(=O)[nH]1 24600917 HHYZCVPMQSLBPG-UHFFFAOYSA-N 315.398 2.495 0 40 DEAB O=C(c1cc[nH]c1)N1CCc2ncnc(-c3ccoc3)c2CC1 1565554878 ITDIVLAQYWQUOV-UHFFFAOYSA-N 308.341 2.306 0 40 DEAB CCOc1ccc(C(=O)NC2=C(C(=O)OC)SCC2)cc1 4072232 VMXRGNJLXKCBOX-UHFFFAOYSA-N 307.371 2.337 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cs1 31260252 FRWUZZLKRQYCQY-UHFFFAOYSA-N 324.837 2.391 0 40 DEAB CCCCCNC(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1 31735854 PXNCARQWWUODDM-LLVKDONJSA-N 305.357 2.347 0 40 DEAB Cc1ccccc1CC(=O)NCc1ccnc(-n2cccn2)c1 40510773 DNOUVKJUBKRZIK-UHFFFAOYSA-N 306.369 2.435 0 40 DEAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1cn[nH]c1 40512181 UCNVJQPFRKHZJJ-UHFFFAOYSA-N 307.737 2.406 0 40 DEAB Cc1[nH]c2ccc(C(=O)NCCCN3CCOCC3)cc2c1C 20583741 YNLXRZQFDQLWGY-UHFFFAOYSA-N 315.417 2.237 0 40 DEAB Cc1ccc(NC[C@H](O)CN2C(=O)c3ccccc3C2=O)cc1 384477 WHBVXCPETPNWGY-AWEZNQCLSA-N 310.353 2.064 0 40 DEAB CC(C)CNC(=O)[C@@H](C)SCc1nnnn1-c1ccccc1 32772120 WHXDAEYLVOVYPO-GFCCVEGCSA-N 319.434 2.056 0 40 DEAB CC1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 41451691 GRSNZCUFZNUOCL-UHFFFAOYSA-N 324.402 2.064 0 40 DEAB Cc1cccc(N2N=C(C(=O)NCc3ccccn3)CCC2=O)c1 544958 KGUZOQQUJLXTJB-UHFFFAOYSA-N 322.368 2.189 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)c1c(F)cccc1Cl 41835415 YTZLYCIJGXRWRN-UHFFFAOYSA-N 300.761 2.466 0 40 DEAB CCS(=O)(=O)Nc1ccn(Cc2ccc(F)cc2Cl)n1 2804611 MZULPQXUCHASDE-UHFFFAOYSA-N 317.773 2.486 0 40 DEAB O=C(O)C1CCN([C@@H](C(=O)O)c2c[nH]c3ccccc23)CC1 12391111 OCGVAZKVCDXTDU-CQSZACIVSA-N 302.330 2.090 0 40 DEAB Cc1nccn1C[C@H](C)CNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95996304 KCTJCCQVCRRALP-OCCSQVGLSA-N 322.453 2.473 0 40 DEAB Cn1nc(C(=O)Nc2nc3ccccc3[nH]2)c2ccccc2c1=O 12475752 SJZLTFZFTPYYDQ-UHFFFAOYSA-N 319.324 2.062 0 40 DEAB COc1ccc([C@@H]2COc3cc(O)cc(O)c3C2=O)c(OC)c1 899851 LMLDNMHDNFCNCW-LBPRGKRZSA-N 316.309 2.474 0 40 DEAB endogenous,in-man C[C@H](Oc1cccc(F)c1)C(=O)NC[C@H](O)Cc1ccccc1 78757594 VKKXBERPLVBBPC-XJKSGUPXSA-N 317.360 2.313 0 40 DEAB COc1ccc(CNC(=O)[C@@H](OC(C)=O)c2ccccn2)cc1 1345051 RPBQTXSJNDXFAJ-INIZCTEOSA-N 314.341 2.011 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)NCCc1cccnc1 23874938 XURHIXJSVZQOON-UHFFFAOYSA-N 312.369 2.194 0 40 DEAB CC(=O)Nc1ccc(OCC(=O)NCc2ccccc2F)cc1 24034534 HRKYAWATUNFMAV-UHFFFAOYSA-N 316.332 2.479 0 40 DEAB COn1c(-n2nc(C)cc2CC(C)C)nc2ccccc2c1=O 1274325 ARICAYAOFYOOPF-UHFFFAOYSA-N 312.373 2.148 0 40 DEAB CCCCCNC(=O)C(=O)NCCc1c[nH]c2ccccc12 10017649 WRJKXTIIHRVRID-UHFFFAOYSA-N 301.390 2.133 0 40 DEAB CC(=O)N(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1 55355822 AEIMPHPZHQCRBD-UHFFFAOYSA-N 312.369 2.099 0 40 DEAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)[C@H](C)n1cccn1 106668620 FNCIOKIICZUBDG-GRDNDAEWSA-N 312.417 2.442 0 40 DEAB COC(=O)[C@@]12CCC[C@H]1CN(Cc1ccccc1NC(C)=O)C2 108467350 XRQHUJURCNKUSC-MAUKXSAKSA-N 316.401 2.420 0 40 DEAB COC[C@@H](C)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 22624428 LWJXCVHJXARKKO-LLVKDONJSA-N 312.797 2.001 0 40 DEAB Cc1cc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)no1 58230060 JTTUKEJDGJXWSE-UHFFFAOYSA-N 314.267 2.239 0 40 DEAB O=C1CCCc2[nH]c(=O)c(C(=O)OCc3ccc(F)cc3)cc21 58295182 PNNDEIDNSJEWMP-UHFFFAOYSA-N 315.300 2.390 0 40 DEAB COc1ccc(CCC(=O)N[C@H](C)c2nnc3n2CCC3)cc1 44934427 WHYXJHTWPYWGGQ-GFCCVEGCSA-N 314.389 2.043 0 40 DEAB Cc1nc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)sc1C 58368309 FSAATUCVBOXDCE-ZANVPECISA-N 311.432 2.152 0 40 DEAB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1CC1 58227380 HJMIVUWISLIPDR-UHFFFAOYSA-N 323.292 2.337 0 40 DEAB O=C(Cc1c(F)cccc1Cl)Nc1nn2cnnc2s1 3354183 UFLWAROVVPRXDQ-UHFFFAOYSA-N 311.729 2.160 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(C=O)cc2)C1 3322053 JIBGGEJINPJOPP-STQMWFEESA-N 303.358 2.160 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cc1cccc(F)c1 95980311 BWERDKFZFOGGOA-OAHLLOKOSA-N 317.364 2.308 0 40 DEAB CCOCCCNS(=O)(=O)c1cccc2cc(C)cnc12 29238437 NYWDDWUTZKRRCI-UHFFFAOYSA-N 308.403 2.248 0 40 DEAB Cc1csc(CNC(=O)c2cc(Br)c[nH]2)n1 37979852 JOBBYWMDKYGCAZ-UHFFFAOYSA-N 300.181 2.472 0 40 DEAB COc1ncccc1NC(=O)NCCCN1CCCC[C@H]1C 48309699 UXZXTXAMAZPFOY-CYBMUJFWSA-N 306.410 2.476 0 40 DEAB O=C(COC(=O)CCc1nc2ccccc2s1)NC1CC1 2637672 FFBWYRYVPMSSRD-UHFFFAOYSA-N 304.371 2.051 0 40 DEAB C[C@H]1CN(C[C@H](O)Cn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 95974705 NIHLRDJQLMTERH-DAYGRLMNSA-N 315.417 2.020 0 40 DEAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NC1CCCCC1 3423950 BQQYCYRVINRTPT-UHFFFAOYSA-N 319.796 2.442 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc3c(c2)OCO3)C1 3437022 ITWWQRHEVRHYCE-RYUDHWBXSA-N 319.357 2.077 0 40 DEAB COCCN1CCCN(C(=O)c2csc3c2CCCC3)CC1 48426668 ULEDNJXQWHOUQI-UHFFFAOYSA-N 322.474 2.421 0 40 DEAB CCCCNC(=O)CSc1nnc2[nH]c3ccccc3n12 3599122 SKIYEFBMEWUAMM-UHFFFAOYSA-N 303.391 2.219 0 40 DEAB CC(C)(C)OC(=O)N1CCOCCN1C(=O)OC(C)(C)C 38875218 IOJNWYJYJHXUNU-UHFFFAOYSA-N 302.371 2.406 0 40 DEAB O=S(=O)(c1ccccc1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 4133707 YGRLWPDLQHFGFO-ZMSDIMECSA-N 320.458 2.182 0 40 DEAB N#Cc1cc(Cl)nc(NNC(=O)c2noc3c2CCCC3)c1 93544837 WPHFMTAQZLDOHE-UHFFFAOYSA-N 317.736 2.230 0 40 DEAB COc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCC2)c(F)c1 6113908 JHBDQDJOJCIHNJ-JTQLQIEISA-N 309.337 2.438 0 40 DEAB Cc1cnc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)s1 14109007 VDRHFKVDWGXHOP-UHFFFAOYSA-N 317.292 2.271 0 40 DEAB O=S(=O)(NC1CCN(C2CC2)CC1)c1cccc(Cl)c1 14102426 BCBLQACNGHKBIB-UHFFFAOYSA-N 314.838 2.245 0 40 DEAB Cc1ccccc1NC(=O)C[C@@H]1SC(N2CCCC2)=NC1=O 14244879 UPIDWHNAOXZJCB-ZDUSSCGKSA-N 317.414 2.417 0 40 DEAB COc1cccc(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c1O 95404458 IWESGFLHVRAVBO-KRWDZBQOSA-N 319.357 2.248 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Oc1ccc2ccc(=O)oc2c1 25649757 IAIZIZWJSFHPQI-UHFFFAOYSA-N 321.310 2.166 0 40 DEAB Cn1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 96491243 LOYJJAKPPAIRBT-ZIAGYGMSSA-N 305.765 2.334 0 40 DEAB CC1CCC(CN(C)C(=O)CC2(CS(C)(=O)=O)CC2)CC1 96446339 LDGUTUZUKLJCMM-UHFFFAOYSA-N 315.479 2.486 0 40 DEAB CC(C)OCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 68016460 BOHMCPNMXJKSSV-UHFFFAOYSA-N 308.359 2.431 0 40 DEAB COC(=O)CCCNC(=O)c1oc2ccc(OC)cc2c1C 7594960 WMDCYFHHCJPTSE-UHFFFAOYSA-N 305.330 2.433 0 40 DEAB C[C@H](SCc1nnnn1C1CC1)C(=O)NC1CCCCC1 71818650 HYJPKIIAJQGAJD-JTQLQIEISA-N 309.439 2.079 0 40 DEAB C[C@@H](OC(=O)CCC(=O)c1ccccc1)C(=O)NC(C)(C)C 16774543 PZFPTVTZXWATGC-GFCCVEGCSA-N 305.374 2.496 0 40 DEAB Cc1ccc(/C=C/C(=O)OCC(=O)NC(=O)c2ccccc2)o1 8327717 VLGZLNHVWXCFOP-MDZDMXLPSA-N 313.309 2.101 0 40 DEAB C[C@@H](C(=O)NC(C)(C)C)N1CCN(c2ccc(F)cc2)CC1 8307736 FSEWQXUPHCMOGX-ZDUSSCGKSA-N 307.413 2.251 0 40 DEAB CCn1ccc(CNC(=S)Nc2ccc(OC)cc2OC)n1 17055363 DMULTXMDOMKEDX-UHFFFAOYSA-N 320.418 2.407 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C[C@H](O)c1ccc(F)cc1 69875337 MCMFPPSTLUDIQF-KSZLIROESA-N 320.408 2.334 0 40 DEAB O=C(CSc1nc([C@H]2CCCO2)n[nH]1)NCc1ccccc1 8993785 ZVYQDMOOMCYUFE-GFCCVEGCSA-N 318.402 2.065 0 40 DEAB C[C@@H](N)[C@@H]1CN(Cc2ccc(Br)s2)CCO1 97019936 LSCDMPGQGDDUGD-SCZZXKLOSA-N 305.241 2.059 0 40 DEAB CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(F)ccc1Cl 97002805 SXTUHGNHDSCXOC-LLVKDONJSA-N 320.817 2.242 0 40 DEAB CS[C@H]1CCC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 72287108 MHPQSOPOMMAVMU-MNOVXSKESA-N 305.403 2.260 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCOCC(F)(F)F 72268696 WORGLUQZWPHXGU-CHWSQXEVSA-N 322.371 2.431 0 40 DEAB C[C@H](CC(=O)Nc1cccc(CO)c1)NC(=O)C1CCCC1 95977689 JBLDMQRXILUTBY-GFCCVEGCSA-N 304.390 2.202 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)Cc1noc3ccccc13)C2 97198444 NXJKEWDEVFBBJG-GFCCVEGCSA-N 310.357 2.006 0 40 DEAB CNC(=O)c1cccc(NC(=O)[C@H](C2CC2)N2CCCC2)c1C 97115916 ADAIAMPSOGGLHT-INIZCTEOSA-N 315.417 2.168 0 40 DEAB O[C@H](COc1ccc(F)cc1)CN1CCC(c2cn[nH]c2)CC1 97202704 CKGIUNZOMIGTHM-INIZCTEOSA-N 319.380 2.168 0 40 DEAB Cc1cc(C)c(CNC(=O)NCCc2ccsc2)c(=O)[nH]1 75111185 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408717800 USMYWJVDVLTYIF-UHFFFAOYSA-N 322.146 2.320 0 40 DEAB CN1C(=O)C[C@H](C(=O)NCC2CCC2)[C@H]1c1ccc(F)cc1 72259865 LQDGTQXCWNHFMQ-GOEBONIOSA-N 304.365 2.261 0 40 DEAB CC(C)(C(=O)NCC1(O)CCSCC1)c1ccc(F)cc1 75259654 FWHNOYDWEVIPIB-UHFFFAOYSA-N 311.422 2.478 0 40 DEAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32639782 KISPSSNMMSTCHC-KGLIPLIRSA-N 324.471 2.398 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@@H]1c1ccc(F)cc1 72242223 MPFCEZKDSGBJFR-YPMHNXCESA-N 319.361 2.440 0 40 DEAB Cc1cnc(C)c(N2CCC(C(=O)N[C@H](C)C(C)C)CC2)n1 195563771 UAWVTLZQUBQIIG-CYBMUJFWSA-N 304.438 2.471 0 40 DEAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCOc1ccc(F)cc1)C2 225516254 HWWKSPMEEXXZBD-GFCCVEGCSA-N 317.364 2.157 0 40 DEAB CCO[C@@H]1C[C@@](O)(CNC(=O)[C@@H](C)c2ccccc2)C1(C)C 225613218 JWPCKQCXJPZROE-JCKWVBRZSA-N 305.418 2.472 0 40 DEAB C[C@@H](CCc1ccc(F)c(F)c1)N[C@@H]1CCCS(=O)(=O)C1 195549880 PTYOBJMEODWSRL-WCQYABFASA-N 317.401 2.453 0 40 DEAB COCC[C@H]1CO[C@]2(CCCN(C(=O)c3cnoc3C)C2)C1 96073413 KXXMBJIGGOTUHM-CZUORRHYSA-N 308.378 2.031 0 40 DEAB CC(C)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)[C@H]1CCOC1 96433528 UGOCILJASRRKRF-LSDHHAIUSA-N 315.410 2.101 0 40 DEAB C[S@@](=O)c1nncn1CCOc1cc(Cl)cc(Cl)c1 96422228 KSZMNSSYAGZVAQ-IBGZPJMESA-N 320.201 2.401 0 40 DEAB O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1ccccn1 96184574 NNLAABSLCZLTIV-CABCVRRESA-N 314.414 2.027 0 40 DEAB COC[C@@H]1CC2(CCN(Cc3scnc3C)CC2)CN1C 96207701 MXNGEHPSBUSTCQ-AWEZNQCLSA-N 309.479 2.384 0 40 DEAB CC(C)[C@H](C(=O)Nc1ccc([S@](C)=O)cc1)N1CCCC1=O 96426997 HPVHRCWSJNNTKM-IVZQSRNASA-N 322.430 2.010 0 40 DEAB CC(=O)Nc1ccc2c(c1)nc1n2[C@@H](CNC(C)C)COC1 96112767 CCQVIARCVXQBQL-ZDUSSCGKSA-N 302.378 2.064 0 40 DEAB biogenic,in-vitro COCC[C@H]1CO[C@]2(CCN(C(=O)c3cccc(O)c3)C2)C1 96072114 LZTCDMOAWXECDR-CXAGYDPISA-N 305.374 2.050 0 40 DEAB C[C@@H]1CN(C[C@H]2CCOC2)C[C@]12CCN(c1ccsc1)C2=O 96201791 MRJZJSCXZHBSEF-CKEIUWERSA-N 320.458 2.459 0 40 DEAB COC[C@H]1CN(C)C[C@@]12CCN(Cc1ccccc1OC)C2 96220300 GMDDLPOGNOPVNQ-SJLPKXTDSA-N 304.434 2.095 0 40 DEAB Cc1ccc(CN2C[C@@H]3C[C@@H](Cc4nnc(C)o4)O[C@@H]3C2)o1 96209599 IGYKECXTAIGWRK-AEGPPILISA-N 303.362 2.111 0 40 DEAB COCCN(C)C(=O)NC[C@H]1CCCc2cc(OC)ccc21 96503224 PNYCWEKUBIADFV-CQSZACIVSA-N 306.406 2.403 0 40 DEAB Nc1nccnc1C(=O)N[C@H](c1cc(F)ccc1F)C1CC1 96432693 KRVBBNCLRNPENW-LBPRGKRZSA-N 304.300 2.218 0 40 DEAB Cc1cc(N)cc([C@H]2CN(CC3(O)CCCCC3)CCO2)n1 257239668 HQHQJAMDMWUVDG-MRXNPFEDSA-N 305.422 2.041 0 40 DEAB CC(=O)c1ccc(N2C[C@@H]3CCCC[C@H]3C2)c(S(N)(=O)=O)c1 252497408 QGSKRYOPVKKLLQ-KBPBESRZSA-N 322.430 2.163 0 40 DEAB O=C(Cc1ccc(F)cc1)NCCn1ccc(-c2ccccn2)n1 96098860 QPKKWGDFRWWQCE-UHFFFAOYSA-N 324.359 2.443 0 40 DEAB COc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC(C)C 298762049 YYYWMZDSKKMJFY-AWEZNQCLSA-N 320.414 2.440 0 40 DEAB CC(C)C(=O)N1CC2(C[C@@H](OCc3ccccn3)CCO2)C1 575403661 JAAKFXIJTAIIHT-HNNXBMFYSA-N 304.390 2.014 0 40 DEAB Cc1cccc(C[C@H]2CCN(C(=O)c3ncoc3C)C[C@H]2O)c1 585280189 ZRRFRRRMLOLWFW-HZPDHXFCSA-N 314.385 2.357 0 40 DEAB Cc1noc(CS(=O)(=O)c2ccccc2Br)n1 47639807 WSCHTGKKFOHQFD-UHFFFAOYSA-N 317.164 2.114 0 40 DEAB O[C@H](COc1ccc(F)cc1)CN1CCC(N2CCCC2)CC1 51924685 VTEQUOQXCATGIS-KRWDZBQOSA-N 322.424 2.126 0 40 DEAB c1cncc(-c2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)c1 51996734 LNWQPJZRYVJBRW-KBPBESRZSA-N 300.362 2.275 0 40 DEAB C[C@H](CC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 72295031 ZKXTVMQVOKPUCL-SJKOYZFVSA-N 319.380 2.077 0 40 DEAB Cn1c(C(=O)O)ccc1[C@H]1COCCN1C(=O)OC(C)(C)C 1535545200 IDBTVZCGCWATDQ-GFCCVEGCSA-N 310.350 2.032 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)[C@H](OC)c3ccccc3)c12 75094268 CZYQHROIQCCNMN-CYBMUJFWSA-N 313.361 2.185 0 40 DEAB O=C(CC1CCCC1)N1CCN(C[C@@H](O)c2ccco2)CC1 85436735 IVBYRHSZQZFHKK-OAHLLOKOSA-N 306.406 2.038 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 106661371 FMQBPUALWPDSQX-JKSUJKDBSA-N 302.418 2.323 0 40 DEAB CCc1nc(Cl)c(C)c(N[C@H](C)CS(=O)(=O)CC)n1 96449403 CRLLGOPYGOHDJG-MRVPVSSYSA-N 305.831 2.236 0 40 DEAB Cc1cc(C)cc(N2CCN(c3nccnc3C(=O)O)CC2)c1 1506425044 BVGPAGDGNRULMB-UHFFFAOYSA-N 312.373 2.118 0 40 DEAB CCC(CC)n1c(O)nc2ncc(Cl)c(-c3nn[nH]n3)c21 118583229 LZQYZTTXHOVYAG-UHFFFAOYSA-N 307.745 2.332 0 40 DEAB CO[C@H](CCSC)CNS(=O)(=O)c1ccccc1Cl 1775967229 JMQVXYMBNUWIRZ-SNVBAGLBSA-N 323.867 2.386 0 40 DEAB CC(=O)N1c2ccc([C@H](O)CN3CCSCC3)cc2C[C@H]1C 12146821 HAFCIMVXAGBSSN-SJKOYZFVSA-N 320.458 2.066 0 40 DEAB CC(=O)N1c2ccc(NC(=O)[C@]3(C)CCCO3)cc2C[C@@H]1C 12204487 VGCXJZCRHUKGIH-GTNSWQLSSA-N 302.374 2.492 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1nccn1C 12221545 PSJULNGGCUTXCE-GXTWGEPZSA-N 308.389 2.033 0 40 DEAB c1cnc(N2CCN(Cc3nc4ccccc4s3)CC2)nc1 14159450 SJMOLZKBSLWVGI-UHFFFAOYSA-N 311.414 2.409 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 17054179 KRGANEBWHQKIFL-RTXFEEFZSA-N 317.341 2.260 0 40 DEAB CN(C1CCNCC1)S(=O)(=O)c1ccccc1C(F)(F)F 36300040 RCJIMXMEWSFQGF-UHFFFAOYSA-N 322.352 2.078 0 40 DEAB CCC[C@H](C)NC(=O)CSc1nnnn1-c1ccccc1 3575607 PICAVXQLVUTMHX-NSHDSACASA-N 305.407 2.059 0 40 DEAB CC(C)N1C(=O)OC[C@H]2CCN(C(=O)c3ccccn3)CC[C@@H]21 2037984444 BNROZCBRQMPLRH-HIFRSBDPSA-N 317.389 2.163 0 40 DEAB COCCN1CC[C@@H]2CN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 1565541801 FTUJERURKWKPOD-WBVHZDCISA-N 302.418 2.096 0 40 DEAB Cc1cccc(NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)n1 4272564 RFFOBCPEUSBYAB-CYBMUJFWSA-N 310.357 2.317 0 40 DEAB CN1CCN([C@@H](CNC(=O)c2ccco2)c2ccsc2)CC1 22765537 NSKHPMDYFZUGEZ-AWEZNQCLSA-N 319.430 2.060 0 40 DEAB COC(=O)CS[C@@H]1CCN(C(=O)Cc2cccc(C)c2)C1 206696303 SRSXZBOCTXKIGD-CQSZACIVSA-N 307.415 2.045 0 40 DEAB COC(=O)N1CCC(CNC(=O)Cc2cccc(C)c2)CC1 43982106 IZVNCYQIBUHAEO-UHFFFAOYSA-N 304.390 2.132 0 40 DEAB CSc1nc(C)cc(N2CCC(NC(=O)C3CC3)CC2)n1 2298174061 DVYRSZULCSOVHI-UHFFFAOYSA-N 306.435 2.002 0 40 DEAB CN(C)c1ccc(N[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 101163550 RTRLRNFOBMVWIP-KRWDZBQOSA-N 323.396 2.492 0 40 DEAB Cc1ccccc1CNC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 40086527 XAAPSHVFCBJKJC-VXGBXAGGSA-N 314.307 2.068 0 40 DEAB N[C@@H]1CCN(C(=O)c2cc3cccc(Br)c3o2)C1 50228199 DMYPHXKJESCGPS-SECBINFHSA-N 309.163 2.369 0 40 DEAB COc1ccc(NC(=O)NC[C@@H](O)COc2ccccc2)cc1 31088420 QZPAPZNSZGMUQM-CQSZACIVSA-N 316.357 2.257 0 40 DEAB CCNC(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)NCc1ccc(F)cc1 100752684 NTTIHRHENAQZLK-AEGPPILISA-N 319.380 2.024 0 40 DEAB COCc1ccccc1C(=O)NCc1nnc2n1CCCCC2 40508492 WMJXRLKQFRMJFY-UHFFFAOYSA-N 314.389 2.081 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(c2nccc(C(F)(F)F)n2)C1 40520077 DQKMUQJIAHFUNZ-SECBINFHSA-N 312.299 2.008 0 40 DEAB Cn1cnnc1SCC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2 101409627 MNWHBBSDZAWREW-ABAIWWIYSA-N 308.451 2.334 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-n2cncn2)cc1 32727539 NBTDDRPJYMALLV-UHFFFAOYSA-N 322.324 2.291 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1)NC(=O)CO2 32731537 XZONFOOPSYVHDO-LLVKDONJSA-N 314.341 2.362 0 40 DEAB CCOC(=O)N[C@@H](C(=O)NCc1ccccc1OC)C(C)C 32911671 FSGXOPNWXRNZLG-CQSZACIVSA-N 308.378 2.082 0 40 DEAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(=O)O)cc1 41543124 SCTVOGFHFIZDFX-UHFFFAOYSA-N 309.318 2.349 0 40 DEAB COCCOCCCC(=O)Nc1cccc(-n2cccn2)c1 53508397 QUSLBCDVYLCYQG-UHFFFAOYSA-N 303.362 2.254 0 40 DEAB COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 219864 ITUYDFBLNGUZMN-CQSZACIVSA-N 316.401 2.103 0 40 DEAB CC(=O)c1ccc(NC(=O)CSc2nnc(C)n2C)cc1 421366 VJZVMJBBHUGAMX-UHFFFAOYSA-N 304.375 2.057 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1ccccn1 71185194 GGCHHTRSTYRRGR-SNVBAGLBSA-N 309.391 2.330 0 40 DEAB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 12420297 WZCYBAPHQGWHEL-GDNBJRDFSA-N 308.362 2.466 0 40 DEAB O=C(CN1CCCCCC1=O)Nc1cccc(-c2ccn[nH]2)c1 78595528 BPXRGQCRFOCJPL-UHFFFAOYSA-N 312.373 2.418 0 40 DEAB COC(=O)c1ccc2c(O)nc3c(-c4ccccc4)nnn3c2c1 2693651 JUPYJHSQLPZBNR-UHFFFAOYSA-N 320.308 2.437 0 40 DEAB CCSc1nnc(CNC(=O)c2ccc(OC)cc2)n1CC 4087414 VWGSRNSTIPSALZ-UHFFFAOYSA-N 320.418 2.349 0 40 DEAB CCCn1nnnc1SCC(=O)c1ccc(NC(C)=O)cc1 4400111 RTPGZPXZJQPQAG-UHFFFAOYSA-N 319.390 2.017 0 40 DEAB COc1cccc([C@@H]2CCCN2C(=O)NCc2cnn(C)c2)c1 54808047 KFJKDCWNJZWBBL-INIZCTEOSA-N 314.389 2.475 0 40 DEAB O=c1c2sccc2ncn1C[C@H](O)COCc1cccs1 25237649 RTDNPKKRWOMXDS-JTQLQIEISA-N 322.411 2.097 0 40 DEAB O=c1c2nnsc2ncn1Cc1ccccc1Br 1417109 BEFRGDGSWMUANP-UHFFFAOYSA-N 323.175 2.059 0 40 DEAB Cc1n[nH]c(=O)c(C(=O)N2CCC[C@@H]3C[C@H](C)CC[C@@H]32)c1C 107493540 BWAIYGXOSFVOQF-HONMWMINSA-N 303.406 2.428 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC[C@H]2Cc2ccccc2)CC1=O 44370309 XVJLJLIIFSTABA-CVEARBPZSA-N 300.402 2.089 0 40 DEAB CCc1ccc(NC(=O)[C@H](Cc2ccncc2)c2nnn[nH]2)cc1 57523592 LDLYVWOAANETME-OAHLLOKOSA-N 322.372 2.122 0 40 DEAB O=C(/C=C/c1ccc(Br)o1)NC1=NCCS1 3252153 MSXRFHUAGYQBHU-DUXPYHPUSA-N 301.165 2.274 0 40 DEAB CCC(CC)[C@H](CCNC(=O)CCCNC(=O)C1CC1)OC 84727340 WEIPENYVFSXJGO-HNNXBMFYSA-N 312.454 2.250 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2CCCO2)CC1 100809479 LZMGBAYLZIPNHD-XQQFMLRXSA-N 312.410 2.118 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(OC)ccc2OC)C1 44999885 DAGGDCXERBZUBF-GFCCVEGCSA-N 321.373 2.119 0 40 DEAB Cc1ccc(-c2nnc(CCC(=O)N3CCOC[C@@H]3C)o2)cc1 44912501 WHLFQWSXPZGHTJ-ZDUSSCGKSA-N 315.373 2.225 0 40 DEAB C[C@H]1COCCN1C(=O)NCc1ccc(OC2CCCC2)nc1 44968767 QCPNGPZAXCKWJH-ZDUSSCGKSA-N 319.405 2.333 0 40 DEAB Cc1cc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)n(C)n1 44911144 QCXHBVLEYUVDNF-ZDUSSCGKSA-N 312.373 2.258 0 40 DEAB COc1cc(C(=O)NCCc2ccccn2)cc(OC)c1C 12632217 FHIIUTNJDQTVEH-UHFFFAOYSA-N 300.358 2.380 0 40 DEAB O=C(O)c1cc(S(=O)(=O)N(CC2CC2)c2ccccc2)c[nH]1 84461187 TWMYNHWJFRHDSX-UHFFFAOYSA-N 320.370 2.318 0 40 DEAB Cc1cc(CNC(=O)CNC(=O)C2CC2)c2[nH]c(C)c(C)c2c1 58341757 LXCBVLLEYUBBBU-UHFFFAOYSA-N 313.401 2.236 0 40 DEAB CNc1snc(C)c1C(=O)NCc1ccc(CN(C)C)cc1 28022765 FMIHONRNAJPAFL-UHFFFAOYSA-N 318.446 2.485 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)NC[C@@H]1CCOC1 48265321 WXBXCIVDIGHVDY-ZDUSSCGKSA-N 319.405 2.239 0 40 DEAB O=C(CCn1nc(-c2cccs2)oc1=O)NC1CCCCC1 12793853 GNQHFUIWJYRGDW-UHFFFAOYSA-N 321.402 2.404 0 40 DEAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1 11177344 NZUMLFNABGYRAO-HNNXBMFYSA-N 324.336 2.437 0 40 DEAB CC(C)CN1C[C@H](C(=O)N[C@@H]2CCc3ccccc32)CC1=O 45889136 ZKDODEVVEWNLRC-GDBMZVCRSA-N 300.402 2.295 0 40 DEAB C[C@@H](CNC(=S)Nc1ccc2c(c1)OCCO2)N1CCCC1 46110857 WKELHGBPQVVVLZ-LBPRGKRZSA-N 321.446 2.229 0 40 DEAB CCN1C[C@@H](C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1=O 46119771 PRFPZKGNSWQKIY-VIFPVBQESA-N 316.279 2.392 0 40 DEAB CCn1ncc(-c2nn3c(-c4ccccn4)nnc3s2)c1C 71279681 YDOFVHHAIZGXON-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB C[C@H](O)CNCCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 38246111 RAFNFWJWBDXRDD-UONOGXRCSA-N 318.417 2.060 0 40 DEAB CN(C(=O)Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 13008272 MJWVMVOZTHMPBP-OAHLLOKOSA-N 317.410 2.028 0 40 DEAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)cc1OC 13167006 ANQPBZXIOBWVGX-GQCTYLIASA-N 319.357 2.040 0 40 DEAB COC(=O)c1cccc(NC(=O)NCCCn2ccnc2C)c1 65588026 QJTJOQFIKRFRNN-UHFFFAOYSA-N 316.361 2.190 0 40 DEAB CCOc1ccc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 409036923 BZXVWVFUSNVFJM-FLIBITNWSA-N 306.387 2.124 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)cc1F 71796954 HNEVAYZUOUIQMD-OAHLLOKOSA-N 317.364 2.474 0 40 DEAB COc1c(C)cc(S(=O)(=O)NCc2cccnc2)c(C)c1C 4932239 OWCXLHGLWHJAQO-UHFFFAOYSA-N 320.414 2.494 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=S)NCC(C)(C)N1CCOCC1 15348805 GXZAXMDENYFWGV-KGLIPLIRSA-N 313.511 2.140 0 40 DEAB COc1cc(OC)cc([C@H]2N=C(N)Nc3nc4ccccc4n32)c1 7127171 VDRFXMQMPFISJH-HNNXBMFYSA-N 323.356 2.341 0 40 DEAB COCCN1CC[C@H](CNC(=O)C[C@H](C)c2ccc(F)cc2)C1 68491993 WKSAVDXVOWLNIJ-LSDHHAIUSA-N 322.424 2.404 0 40 DEAB COc1ccc([C@H]2CC(=O)Oc3cc(C)[nH]c(=O)c32)c(OC)c1 85879725 FNTFSXOJAXAXLZ-GFCCVEGCSA-N 315.325 2.142 0 40 DEAB biogenic O=C1N[C@@H](CCc2ccccc2)C(=O)N1Cc1cscn1 69157791 YXYWTVLAOMRTBX-ZDUSSCGKSA-N 301.371 2.196 0 40 DEAB COc1ccc(C)c2c1N(C[C@@H](O)Cn1cccn1)CCC2 70021435 ULEBMFHXLYDXBU-CQSZACIVSA-N 301.390 2.014 0 40 DEAB CS(=O)(=O)c1ccccc1N1CC[C@@H](Oc2ccncc2)C1 83989981 RLESAKFIDYOBIU-CQSZACIVSA-N 318.398 2.143 0 40 DEAB CC(C)c1nc(CN2CCO[C@H](Cn3cccn3)C2)cs1 69392613 CJKHALWEZFYRML-AWEZNQCLSA-N 306.435 2.364 0 40 DEAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)C1Cc2ccccc2C1 69484338 OYCCRQOOVDWVAS-DYVFJYSZSA-N 303.402 2.196 0 40 DEAB CCNC(=O)c1cccc(NC(=O)NC2CCSCC2)c1 69535176 VACQETHUQYNPMB-UHFFFAOYSA-N 307.419 2.453 0 40 DEAB Cc1nc(C)c([C@@H](C)NC(=O)CCNc2ncccn2)s1 84062217 PYQCAPACMXULQN-SNVBAGLBSA-N 305.407 2.229 0 40 DEAB C[C@@H]1CO[C@H](CO)CN1Cc1cc(C(F)(F)F)ccc1F 92042208 QBPXLSRUMKHOHI-SKDRFNHKSA-N 307.287 2.426 0 40 DEAB CC(C)(C)OC(=O)Cn1nc(C2CC2)cc(C(F)(F)F)c1=O 84199747 FYTMUCDWASKEGT-UHFFFAOYSA-N 318.295 2.481 0 40 DEAB NC(=O)c1cnc(NC(=O)Cc2c(F)cccc2Cl)s1 8775891 UVSYLJGPRFBRKQ-UHFFFAOYSA-N 313.741 2.216 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)c1ccccc1)c1ccsc1 8896165 LSRAEEGDZKTQMO-CQSZACIVSA-N 310.444 2.329 0 40 DEAB O=C(Nc1onc2c1CCCC2)[C@@H]1COc2ccccc2O1 8976613 WJVKYRXOHPGZOV-AWEZNQCLSA-N 300.314 2.332 0 40 DEAB C[C@H](CCc1ccco1)Nc1cc(N2CCC[C@@H]2CO)ncn1 72276008 CEDZSLHVNQLXFZ-ZIAGYGMSSA-N 316.405 2.464 0 40 DEAB c1ccc([C@H](NCCc2nnc3ccccn23)c2ncc[nH]2)cc1 97103759 BIQHEJILNISVMM-KRWDZBQOSA-N 318.384 2.374 0 40 DEAB Cn1ccnc1C(=O)NCCc1nc2ccccc2n1C(F)F 75103842 NPRHGQRNIMDNRU-UHFFFAOYSA-N 319.315 2.137 0 40 DEAB COC(=O)[C@@H](C)N(C(=O)c1ccc(-n2cccc2)nc1)C1CC1 75108547 AZEFFLWAJYSCLD-GFCCVEGCSA-N 313.357 2.038 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1ccc(C)nc1C)CC2 89986444 FYJBTESDVHDDKV-JKSUJKDBSA-N 318.417 2.091 0 40 DEAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc(-n2ccnn2)cc1 89968587 UTCAZLMRTHVKLK-HZPDHXFCSA-N 323.356 2.414 0 40 DEAB CC[C@@H](C(=O)N[C@H]1CSc2ccccc21)N1CCCC1=O 89941874 NUNSXANRFIXGRO-STQMWFEESA-N 304.415 2.351 0 40 DEAB CC[C@H](NC(=O)Nc1cccc(-n2ccnn2)c1)[C@H]1CCCO1 89942842 LVHICQNPWWITST-LSDHHAIUSA-N 315.377 2.346 0 40 DEAB COc1nc(C(=O)N2CCC[C@@H](OC)C2)cc2ccccc12 76244176 HDXCPEFADRKWLF-CYBMUJFWSA-N 300.358 2.494 0 40 DEAB CC(C)(C)OC(=O)N1CCNC[C@H]1c1ccc2c(c1)OCO2 22115973 MFINXMPWYQMSFS-LBPRGKRZSA-N 306.362 2.297 0 40 DEAB Cc1cc(CN(C)C(=O)[C@H](C)n2c(=O)oc3ccccc32)no1 25138126 LLVLZPZFGFAWEM-NSHDSACASA-N 315.329 2.111 0 40 DEAB CC(C)N(CCNC(=O)c1ccc(-n2ccnc2)nc1)C(C)C 25239300 KWWLDUOLDCNYHL-UHFFFAOYSA-N 315.421 2.116 0 40 DEAB CC(C)(C)NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20457846 GOFBRCFKMXMTNH-UHFFFAOYSA-N 304.799 2.240 0 40 DEAB CCc1ccc(Nc2n[nH]nc2C(=O)N2CCSCC2)cc1 67284169 WPKHYXXIQZCSOU-UHFFFAOYSA-N 317.418 2.300 0 40 DEAB Cc1n[nH]c2ncc(NC(=O)[C@@H](C)OC[C@H]3CCCCO3)cc12 174385159 ZULBJZOKKRGALJ-DGCLKSJQSA-N 318.377 2.179 0 40 DEAB Cc1cnc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)cn1 21346082 JCYGJGVZKPWTGG-RTXFEEFZSA-N 305.378 2.025 0 40 DEAB O=c1c2ccccc2c(O)nn1CC[C@@H]1Nc2ccccc2CO1 409196527 OTWUOBCNINQICL-MRXNPFEDSA-N 323.352 2.461 0 40 DEAB Cc1ccn(C)c1C(=O)N1CSC[C@@H]1C(=O)NCCC(C)C 189690970 MJVPANPTCBZYBN-CYBMUJFWSA-N 323.462 2.011 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C 408616703 APOAUYVUNPXOHB-UHFFFAOYSA-N 310.419 2.374 0 40 DEAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCCO1 77647570 KLJGHXQWEKMNHK-MNOVXSKESA-N 304.173 2.322 0 40 DEAB COc1nc(C(=O)NO[C@H]2CCCCO2)cc2ccccc12 72059773 NHJFVXPNLBCMBC-AWEZNQCLSA-N 302.330 2.431 0 40 DEAB CCN1CCN(C(=O)/C=C/c2c(F)cccc2F)CCC1=O 14956928 QMZIASHSWMFUFH-VOTSOKGWSA-N 308.328 2.059 0 40 DEAB CC(C)COCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 78999011 MPLUIBFMOSPKQQ-CVEARBPZSA-N 324.465 2.204 0 40 DEAB CCN(CC(=O)O)[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79392387 BWQNWBDCOFASJV-RYUDHWBXSA-N 300.399 2.229 0 40 DEAB CC[C@@H](C)c1noc(C2CCN(C(=O)[C@@H]3CCCO3)CC2)n1 41122078 URAFEIXZFHDQSD-YPMHNXCESA-N 307.394 2.468 0 40 DEAB O=C(Cc1csc(Nc2ncccn2)n1)NCc1ccco1 44227666 IOKABHMFYPGFPA-UHFFFAOYSA-N 315.358 2.129 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N(CC2CC2)C(C)C)c1 40091350 IVXXEZLVIWQFJI-UHFFFAOYSA-N 311.403 2.282 0 40 DEAB Cc1noc(C2CN(C(=O)c3cnn(-c4ccccc4)c3C)C2)n1 49482319 QPWJDFJVXYDCSJ-UHFFFAOYSA-N 323.356 2.112 0 40 DEAB COc1cc(N)ccc1NC(=S)NC(=O)c1ccccc1 226238441 ZNAWDBOMBITQCW-UHFFFAOYSA-N 301.371 2.404 0 40 DEAB CCN1CCC[C@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 41124087 ZLKMAIPQEUTPRD-LJQANCHMSA-N 313.445 2.373 0 40 DEAB O=C(c1ccco1)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386362 SZHWKRCVRRXEJS-CQSZACIVSA-N 324.336 2.461 0 40 DEAB Cn1cc(CCNC(=O)N2CCc3c(F)ccc(F)c3C2)cn1 96460158 JPEFLGYKLHOZNZ-UHFFFAOYSA-N 320.343 2.009 0 40 DEAB CCOc1cccnc1C(=O)NCCc1nc2ccccc2n1C 96451282 NLUSUWDMSMXFLH-UHFFFAOYSA-N 324.384 2.340 0 40 DEAB CC(C)NC(=O)[C@H]1CN(Cc2ccsc2)Cc2ccnn2C1 96188760 VPBHZQRHHCYFDN-AWEZNQCLSA-N 318.446 2.101 0 40 DEAB O=C(CC1CC1)N[C@@H]1CN(Cc2ccoc2)C[C@@H]2CCCO[C@@H]21 97953468 RYSHRKFZTCEWAX-JZXOWHBKSA-N 318.417 2.175 0 40 DEAB c1cnc(N2C[C@H]3CCC[C@@H](CNc4cnccn4)[C@H]3C2)nc1 96081950 RCZPKGJAMCPBEM-RRFJBIMHSA-N 310.405 2.231 0 40 DEAB COc1cccc([C@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)c1 96223365 DIZGVJQQLKMOIG-CYBMUJFWSA-N 322.320 2.144 0 40 DEAB COC[C@H]1CN(C(=O)c2ccco2)Cc2ncn(CC3CC3)c21 96060279 XTWSSRPKKPCEPE-CYBMUJFWSA-N 315.373 2.272 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(C(=O)Cc1ccc(F)cc1)C2 96039087 IZKDDNFCDPIQJS-FUHWJXTLSA-N 321.392 2.412 0 40 DEAB CCc1ccc([C@H](COC)NC(=O)c2ccc(C(N)=O)cc2)o1 96423861 KDKQQVYKHGJVMV-AWEZNQCLSA-N 316.357 2.058 0 40 DEAB O=C(OCC(=O)N1CCc2ccccc2C1)[C@@H]1Cc2ccccc21 95401622 JTCMPTBGFAGLQH-GOSISDBHSA-N 321.376 2.454 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)c1ccc2c(c1)CCCC2 96442160 XJVURQLPMOBEER-OAHLLOKOSA-N 302.374 2.265 0 40 DEAB FC1(F)CCN(CC2CC2)C[C@]12CCN(c1cnccn1)C2 96239746 IUXJCHQGQNBZPV-HNNXBMFYSA-N 308.376 2.424 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccncc3)C2)s1 257213553 CIBDZBZUXFNKQI-CQSZACIVSA-N 317.414 2.298 0 40 DEAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1ccn2nccc2n1 257304812 SNFRUIMOLDXPQU-ZDUSSCGKSA-N 311.345 2.393 0 40 DEAB CN(C)Cc1cnc([C@H]2CCN(C(=O)c3cccc(F)c3)C2)[nH]1 257225514 FGNYJXDBAKTVCA-ZDUSSCGKSA-N 316.380 2.240 0 40 DEAB CC(=O)N1CCCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 64555870 HEEPEWRBNGTRDF-UHFFFAOYSA-N 316.380 2.066 0 40 DEAB C[C@@H]1OCC[C@H]1N(CCO)Cc1ccccc1Br 390834015 QHSWUJAUKXLVKG-SMDDNHRTSA-N 314.223 2.421 0 40 DEAB O=C(NCCCc1nc[nH]n1)Nc1cccc(-n2cccc2)c1 390835451 OALUDFNCQRFPJB-UHFFFAOYSA-N 310.361 2.350 0 40 DEAB CC(C)NC(=O)CNC(=O)c1cc(-c2cccc(Cl)c2)no1 65614761 SERXUZIQJDOTNT-UHFFFAOYSA-N 321.764 2.249 0 40 DEAB Cc1ccc(-c2cc(C(=O)N3CCn4c(C)nnc4C3)on2)cc1 69490163 PXNBVIWLGWNRJS-UHFFFAOYSA-N 323.356 2.206 0 40 DEAB Cc1ccc(C)c(CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 76125725 JUSXOVWEMKRWGQ-MRXNPFEDSA-N 321.442 2.024 0 40 DEAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccncc1 97299726 MTVNUAIADAKJQE-HQAMWZJRSA-N 305.403 2.278 0 40 DEAB CN(C)Cc1cccc(NC(=O)c2n[nH]cc2Br)c1 78926590 UANJLXRFQLDFBM-UHFFFAOYSA-N 323.194 2.486 0 40 DEAB C[C@H](O)C[C@@H](C)CNC(=O)c1ccc(Br)cc1O 81796330 QTVKAFRXUWTTJO-BDAKNGLRSA-N 316.195 2.292 0 40 DEAB CC[C@@H](CO)N1CCN(Cc2nc(Cl)ccc2Cl)CC1 96012966 APQCBNLRFQWCPD-NSHDSACASA-N 318.248 2.277 0 40 DEAB Cn1ccnc1C1(O)CCN(C(=O)Nc2cccc(F)c2)CC1 12144593 NUHGNTYJPDVAAL-UHFFFAOYSA-N 318.352 2.075 0 40 DEAB COc1cccc(CC(=O)N[C@@H](C)Cn2nnc3ccccc32)c1 12145022 OYEGHARZBCMFFM-ZDUSSCGKSA-N 324.384 2.187 0 40 DEAB CCN1CCN(C(=S)c2cc(OC)c(OC)c(OC)c2)CC1 13547116 KGZURQBPMYNYOV-UHFFFAOYSA-N 324.446 2.025 0 40 DEAB CN(C(=O)CSc1ncnc2nc[nH]c12)C1CCCCC1 16186660 OKHUBSHSAZLSMD-UHFFFAOYSA-N 305.407 2.236 0 40 DEAB CCCC[C@@H](c1nnnn1C(C)(C)CC)N1CCN(C)CC1 19502104 ZQUUFVMBKQKKHT-AWEZNQCLSA-N 308.474 2.297 0 40 DEAB CC(=O)N1CC[C@H](c2ncc(C(=O)Nc3ccccc3)c(C)n2)C1 19766035 FXKWMCZQBLUPSC-AWEZNQCLSA-N 324.384 2.373 0 40 DEAB CCc1ncc(NC(=O)c2cn(-c3ccc(F)cc3)nn2)cn1 155421271 PSJYGJZQVQCHFQ-UHFFFAOYSA-N 312.308 2.011 0 40 DEAB Cc1cc(C)c(C)c(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c1 16994372 RIFUKZDWMMEXHW-UXLLHSPISA-N 307.434 2.461 0 40 DEAB O=C(NCc1nnc2ccccn12)c1ccc(Br)o1 18124111 XGLSZZZIFRZRIU-UHFFFAOYSA-N 321.134 2.015 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1n[nH]c2ccccc12 16596289 CTAWYNMIENVWBE-HNNXBMFYSA-N 323.352 2.077 0 40 DEAB c1ccc(-c2nc(NCCc3ccncc3)c3nn[nH]c3n2)cc1 1857788552 FPSOPLCIQZTTCL-UHFFFAOYSA-N 317.356 2.465 0 40 DEAB CCN1CCO[C@H]2CCN(C(=O)c3cc(C)cc(C)c3)C[C@@H]21 1074390425 NTWGBJBXGMJCSK-IRXDYDNUSA-N 302.418 2.239 0 40 DEAB COC(=O)c1c(NC(=O)c2cn(C)nc2OC)sc(C)c1C 36686004 GAAHKBKBCQRNHT-UHFFFAOYSA-N 323.374 2.146 0 40 DEAB COC[C@H](C)NC(=O)C1CCN(Cc2ccc(C)cc2)CC1 20169449 YZPCZEAVKVKKSW-HNNXBMFYSA-N 304.434 2.358 0 40 DEAB CCOc1ncccc1NC(=O)N1CCC(CN(C)C)CC1 40554860 VXTLYOWWVBLLKP-UHFFFAOYSA-N 306.410 2.286 0 40 DEAB Cc1ccccc1CC(=O)Nc1ccc(N2CCNC(=O)C2)cc1 32912850 LDRPNUIAOJZBEN-UHFFFAOYSA-N 323.396 2.112 0 40 DEAB O=C1CCc2cc(C(=O)NC[C@H]3Cc4ccccc4O3)ccc2N1 33117003 GGVKITYMGUXHIV-OAHLLOKOSA-N 322.364 2.305 0 40 DEAB Cc1csc(CNC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)n1 22181960 WHPQZSGUIXWJPJ-YGRLFVJLSA-N 304.371 2.296 0 40 DEAB COc1ccc(COC[C@H](O)CN2CCC[C@H](C)C2)cc1OC 103416516 DCEWLIMBAGLBFQ-GOEBONIOSA-N 323.433 2.313 0 40 DEAB CCN(Cc1cccc(F)c1)Cc1cc(=O)n2nccc2[nH]1 104096389 BKNKLXXYGNUEAL-UHFFFAOYSA-N 300.337 2.184 0 40 DEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(OC)cc1 65570 MQNZQNQZFWHKMR-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc3c(c2)OCO3)on1 22911416 BNSQIHACIHRFPG-LLVKDONJSA-N 317.345 2.171 0 40 DEAB Cc1cccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c1C 195767 KWXQPEAEKIMVBD-OAHLLOKOSA-N 316.357 2.468 0 40 DEAB CC(=O)NC1=NN(C(C)=O)[C@@]2(CCCc3ccccc32)S1 201321 JVSQRCLQBFZKDB-HNNXBMFYSA-N 303.387 2.178 0 40 DEAB CCN(CC)C(=O)c1cc2c(=O)n3ccccc3nc2s1 426841 VJUCWKIVLUGIJF-UHFFFAOYSA-N 301.371 2.391 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2[nH]c(C)c(C(C)=O)c2C)CC1 429462 SXLBWOLPBLQZCD-UHFFFAOYSA-N 320.389 2.249 0 40 DEAB O=C(NC(=S)N1CCOCC1)C12CCC3C[C@@H](C[C@@H](C3)C1)C2 12436498 UMSXWPSYLFTPBQ-GCGBMVOASA-N 322.474 2.326 0 40 DEAB COc1ccc2c(c1)OC[C@]1(O)c3ccc(OC)cc3O[C@H]21 899920 VVPGAJNPGZZNBM-SJORKVTESA-N 300.310 2.418 0 40 DEAB endogenous,in-man O=C(CCc1cccc(F)c1)N1CC[C@@](O)(C(F)(F)F)C1 78025749 CVVTWMCDXRHUOJ-ZDUSSCGKSA-N 305.271 2.284 0 40 DEAB C[C@@H](CNc1ncccc1S(N)(=O)=O)Cc1cccs1 78378038 YTODVENZXNQUCF-SNVBAGLBSA-N 311.432 2.081 0 40 DEAB CN(C[C@H]1CCOC1)C(=O)Nc1nnc(C(F)(F)F)s1 78469067 VSUNIGMJGVEBQS-ZCFIWIBFSA-N 310.301 2.057 0 40 DEAB Cc1occc1CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 78973514 XGISPMCQOWNUGC-CYBMUJFWSA-N 302.378 2.096 0 40 DEAB Cc1ccsc1CNC(=O)CCOc1ccc(C(N)=O)cc1 79013132 AHMMZANWRYHSNY-UHFFFAOYSA-N 318.398 2.241 0 40 DEAB CCOC(=O)c1ccc(NC2CCN(C(=O)OCC)CC2)nc1 24053878 IGKMVUWCMAXHON-UHFFFAOYSA-N 321.377 2.291 0 40 DEAB CCc1ccc2[nH]c3nc(SCC(=O)OC)nnc3c2c1 6519770 SUGYQGVJZJNJPI-UHFFFAOYSA-N 302.359 2.334 0 40 DEAB O=C(Nc1nncs1)N1CCCN(Cc2ccccc2)CC1 43130021 UCOJWZTZUMLABP-UHFFFAOYSA-N 317.418 2.278 0 40 DEAB Cc1cc(C(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C)s1 24980479 WBPANSRNTXNWHV-OAHLLOKOSA-N 306.387 2.268 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2C[C@H](C)SC(=S)N2)cc1 1409971 WUBBEHMCGUXYRH-GXSJLCMTSA-N 301.458 2.495 0 40 DEAB CCCNC(=O)COC(=O)Cc1nc(-c2cccs2)oc1C 51429205 VAKDTMJQSBVJNE-UHFFFAOYSA-N 322.386 2.323 0 40 DEAB CONC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 12528464 CJIHTXXCHPURJR-UHFFFAOYSA-N 303.284 2.098 0 40 DEAB CCCC(=O)Nc1cccc(CN2C(=O)[C@H](C)NC2=S)c1 55179050 KDWYODRDBUOICV-JTQLQIEISA-N 305.403 2.030 0 40 DEAB COC(=O)[C@H](c1cccnc1)N1CC[C@H](C)[C@H](n2ccnc2)C1 108487976 QBDWYDKEPRJOGC-IMJJTQAJSA-N 314.389 2.075 0 40 DEAB Cc1nc(C)c(Cn2cnc3c(cnn3C(C)(C)C)c2=O)s1 89559287 INKMTHOFCVFFIL-UHFFFAOYSA-N 317.418 2.470 0 40 DEAB CC(C)c1ccc(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1 58014256 KZWIVWBDGQJPKT-LBPRGKRZSA-N 310.419 2.366 0 40 DEAB O=C(CCCc1nnc2ccccn12)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101373086 JHEVZAVGRGFBBH-KKUMJFAQSA-N 310.401 2.380 0 40 DEAB CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 58218886 UGUYRKVJBMBWOK-OAHLLOKOSA-N 317.433 2.129 0 40 DEAB C[C@@H](CNC(=O)c1csc2c1CCCC2)N1CCOCC1 44912796 AKDAGXLLUPJISU-LBPRGKRZSA-N 308.447 2.077 0 40 DEAB CCOc1ccccc1NC(=O)COC(=O)c1ccccc1N 2124158 NZBASELUKXRYFY-UHFFFAOYSA-N 314.341 2.463 0 40 DEAB CC1(C)CC(=O)[C@H]2[C@@H](c3ccccc3F)n3nnnc3N[C@@H]2C1 106937118 LTKJRZLTFIEFSV-KWCYVHTRSA-N 315.352 2.201 0 40 DEAB CS[C@H](C)C(=O)NCCCc1cc(N)n(-c2ccccc2)n1 75121118 HUTZJPZLKSTCRT-GFCCVEGCSA-N 318.446 2.255 0 40 DEAB O=C(O)[C@H]1CCN(Cc2cc(F)ccc2Br)C1 62134348 VJFXBVDQCYXQIC-QMMMGPOBSA-N 302.143 2.495 0 40 DEAB CCn1cnnc1CNC(=O)c1c(C)nn(CC(C)C)c1Cl 48236329 QYXFHSCYUUPMOD-UHFFFAOYSA-N 324.816 2.042 0 40 DEAB CCc1cc(C(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)sc1C 58308869 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CCCN(CCc1ccccn1)C(=O)[C@@H](C)OCCOCC 65626151 WQTPAFDWHFSUGT-OAHLLOKOSA-N 308.422 2.304 0 40 DEAB COC(=O)N1CCC(NC(=O)/C=C(\C)c2ccccc2)CC1 96179966 WCAUUQZQPMXRIL-OUKQBFOZSA-N 302.374 2.437 0 40 DEAB Cc1ccc(NC(=O)Cn2ncc3ccccc3c2=O)cc1F 5453308 PRJHLQGBKWAKOJ-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB Cc1nnc(S[C@@H](C)C(=O)NC2CC2)n1Cc1ccccc1 6531815 IXUAMPFGVYWCNI-NSHDSACASA-N 316.430 2.394 0 40 DEAB O=C(Nc1nccs1)C1=NN(c2ccccc2)C(=O)CC1 5575195 WHTFRNJTVUWLQY-UHFFFAOYSA-N 300.343 2.265 0 40 DEAB CCCCOC(=O)CSc1nnnn1-c1ccc(OC)cc1 7007580 LKKVOWDVMBVNOE-UHFFFAOYSA-N 322.390 2.106 0 40 DEAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccc(=O)[nH]c1 15934868 YGXKEOJDDBWYBV-UHFFFAOYSA-N 317.433 2.294 0 40 DEAB Cn1cc(CNS(=O)(=O)c2ccccc2C(C)(C)C)cn1 96427784 RITJAKROXUHIKU-UHFFFAOYSA-N 307.419 2.196 0 40 DEAB C[C@H](NCC(=O)NCc1cccnc1)c1ccc(F)c(F)c1 96490727 AWICQVLUKDBGFH-NSHDSACASA-N 305.328 2.327 0 40 DEAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N(CCO)CC1CC1 89858006 TVNZDSUHSKVVOW-LPHOPBHVSA-N 314.429 2.304 0 40 DEAB C[C@H](CCNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1 69416765 KOULQEOZYBZQPC-ZIAGYGMSSA-N 309.431 2.121 0 40 DEAB CC(=O)N1CCCc2cc(NC(=O)NC[C@@H]3CCCO3)ccc21 69663665 OQLHTCVOWVDKMZ-HNNXBMFYSA-N 317.389 2.286 0 40 DEAB CN(Cc1cccs1)C(=O)CN1CCC[C@H]1Cn1cccn1 69776943 LHNHYUGKWVKTEO-AWEZNQCLSA-N 318.446 2.068 0 40 DEAB CC[C@@H]1CN(C[C@H](O)c2ccc(C)c(C)c2)CCN1CCOC 69810460 SUSXZTHZFYUHNP-MOPGFXCFSA-N 320.477 2.379 0 40 DEAB COCc1cc(Oc2ccc(-n3cccn3)cc2)n2ncnc2n1 71915169 MSHABCPRPNDBCK-UHFFFAOYSA-N 322.328 2.249 0 40 DEAB CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC4)ccc1c23 8715473 RLALLQKLHWCQHJ-UHFFFAOYSA-N 316.382 2.214 0 40 DEAB Cc1csc(Nc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)n1 72277513 VZFZIRZVZFTYPJ-GFCCVEGCSA-N 316.386 2.412 0 40 DEAB Cc1ccnc(-c2ccc(NC(=O)N3CCC[C@H](O)C3)cc2)n1 72286347 JKCUDBGRSRLFCV-HNNXBMFYSA-N 312.373 2.441 0 40 DEAB Cc1noc(CNC(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)n1 97142885 YVNFDBYXAVVYDU-KBPBESRZSA-N 316.361 2.098 0 40 DEAB FC(F)(F)c1cccnc1CN1CCCC2(C1)OCCO2 97139052 ZYJUPCXICODAOH-UHFFFAOYSA-N 302.296 2.439 0 40 DEAB O=C(CCCNC(=O)c1cnccn1)NC1CCCCCCC1 72404673 JGBPPJVHUCFVKM-UHFFFAOYSA-N 318.421 2.216 0 40 DEAB C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2cccnc2)cc1 75092002 NROLDKOEQKITCI-LRDDRELGSA-N 309.369 2.204 0 40 DEAB CC[C@H](C)CS(=O)(=O)NC[C@H](c1ccc(F)cc1)N(C)C 89942243 WFYFCMMTFUMPPL-SWLSCSKDSA-N 316.442 2.394 0 40 DEAB Brc1cncc(-c2nc([C@@H]3CCCNC3)no2)c1 62256943 RTMYWEGRNWQTOD-MRVPVSSYSA-N 309.167 2.361 0 40 DEAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCOCC1 38832730 GHHQPNYGOUICDQ-OAHLLOKOSA-N 322.836 2.411 0 40 DEAB COC(=O)c1ccc(C(=O)NC[C@@H](O)c2cc(C)oc2C)cc1 1565520202 ITTREKWUSCUQDY-OAHLLOKOSA-N 317.341 2.146 0 40 DEAB Cc1noc(C)c1CN1CCCN(C(=O)c2ccncc2)CC1 62615531 ZYSHYJVVVVEGTL-UHFFFAOYSA-N 314.389 2.035 0 40 DEAB CN(C)C(=O)CN1CCC(CNc2nc3ccccc3o2)CC1 521394494 ZBOLHCZCMYOUIF-UHFFFAOYSA-N 316.405 2.040 0 40 DEAB COC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)c1 72366058 IOVBCRIVGZSYMM-AWEZNQCLSA-N 320.389 2.355 0 40 DEAB CC(C)NC(=O)[C@@H]1CCCN(c2nc3ccccc3n2C)C1 72389597 YJJCDTJIZMCVJT-CYBMUJFWSA-N 300.406 2.314 0 40 DEAB CC(C)c1nc(NC(=O)[C@H](Cc2ccccc2)N(C)C)n(C)n1 79049604 OAABRYJJXRYFRB-AWEZNQCLSA-N 315.421 2.050 0 40 DEAB C[C@H]1CN(C(=O)c2c[nH]nc2-c2cccnc2)CC2(CCC2)O1 565028407 GFXAWWPEBFHWMT-LBPRGKRZSA-N 312.373 2.255 0 40 DEAB CC(=O)OC(C)(C)C(=O)NC[C@H](O)c1csc2ccccc12 225694914 FSYSOCUQBFLPNY-ZDUSSCGKSA-N 321.398 2.393 0 40 DEAB C[C@](O)(CNC(=O)NCCc1cccnc1)C1CCCCC1 190833433 FVIXTYHQVIZHKF-KRWDZBQOSA-N 305.422 2.255 0 40 DEAB COC(=O)C1(C(=O)N2CCC(c3nc(C)cs3)CC2)CC1 131483743 IIYCMYFBCLFZII-UHFFFAOYSA-N 308.403 2.111 0 40 DEAB COCCC(=O)N1CCN(Cc2cc(F)ccc2Cl)CC1 225600437 RRRUEFCWZIWCCX-UHFFFAOYSA-N 314.788 2.160 0 40 DEAB Cc1nc(SCCC(=O)OC(C)(C)C)c2cnn(C)c2n1 225646580 JEGHOYVMXBPCKX-UHFFFAOYSA-N 308.407 2.496 0 40 DEAB CNC(=O)Cc1noc(-c2sc(C)nc2-c2ccccc2)n1 193215071 COUDFKUPJSBTAX-UHFFFAOYSA-N 314.370 2.457 0 40 DEAB O=C(NCc1cccs1)N1CCC[C@@H](Oc2cccnn2)C1 225457697 ZNMANFBGXGJJHL-GFCCVEGCSA-N 318.402 2.291 0 40 DEAB CCC1(CNC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CCC1 84164887 HQIXNDVWTJMKHA-OLZOCXBDSA-N 316.467 2.222 0 40 DEAB O=S1(=O)CCC(CN[C@H]2CCCNc3ccccc32)CC1 193052087 BUONHOMYMXOCCC-INIZCTEOSA-N 308.447 2.348 0 40 DEAB CN(C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc3C2)C1 195570427 UNQDWFNBKNETHY-CVEARBPZSA-N 315.461 2.385 0 40 DEAB Cc1ccccc1O[C@@H](C)CNC(=O)CNC(=O)C(C)(C)C 96426870 GZBTYHBMVVIKRZ-ZDUSSCGKSA-N 306.406 2.041 0 40 DEAB Cc1nn(C)c(C)c1C[C@H](C)NS(=O)(=O)c1cccs1 96428408 CFJGILJTJPGNLH-VIFPVBQESA-N 313.448 2.008 0 40 DEAB CCc1nc2n(n1)CCC[C@H]2NC1CCN(CC(C)C)CC1 95423691 LNOKRIDPCLJFOS-OAHLLOKOSA-N 305.470 2.385 0 40 DEAB COC(=O)N1CC[C@H](NC(=O)c2cccc(C(F)(F)F)c2)C1 96426631 PWRBJRYANBDANL-NSHDSACASA-N 316.279 2.276 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cccnc2)[C@H](c2ccccc2)CO1 96433547 UMXOVDRFCHWHIQ-BBRMVZONSA-N 318.398 2.232 0 40 DEAB CCn1cc2c(n1)CN(Cc1scnc1C)C[C@@H]2COC 96068687 KNVVPIBOWBYBGL-GFCCVEGCSA-N 306.435 2.414 0 40 DEAB C[C@@H]1SCCN(C(=O)N[C@H](C)COCC(F)(F)F)[C@@H]1C 245312380 IXJHMCNIBJYQEY-BBBLOLIVSA-N 314.373 2.489 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)oc2ccc(F)cc12 257262466 LLMFBUMFZOTBBP-UMVBOHGHSA-N 321.348 2.275 0 40 DEAB Cn1cccc1C(=O)N1CCCC[C@@H]1c1ccn2ccnc2n1 257314467 UXDBOLRTHDNFLB-CQSZACIVSA-N 309.373 2.435 0 40 DEAB Cc1ncsc1C(=O)N[C@H](Cn1nccn1)c1ccccc1 253405493 SNKBRHQTLPHFER-CYBMUJFWSA-N 313.386 2.214 0 40 DEAB CNc1cncc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 257261983 LJNSQCIBQNQEMY-LFAOLKIESA-N 309.373 2.290 0 40 DEAB COc1cccc(CN(C)C(=O)Cn2nnc3ccccc32)c1 69754307 BTFFVBSQJRLVPA-UHFFFAOYSA-N 310.357 2.099 0 40 DEAB CCC(CC)N1C[C@@H](C(=O)NCc2cnc(C)s2)CC1=O 299671326 OXOKJSXYSDVMQL-NSHDSACASA-N 309.435 2.105 0 40 DEAB Cc1n[nH]c(C)c1CN1CC[C@@](O)(COc2cccc(F)c2)C1 585275404 BIYOCELXLXWBJV-KRWDZBQOSA-N 319.380 2.181 0 40 DEAB C[C@H]1CN(CCC(=O)Nc2ccnn2C2CCCC2)C[C@@H](C)O1 28842782 BIUAWPJPAVYQCW-OKILXGFUSA-N 320.437 2.436 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cnn(C)c2C2CC2)c1 70013767 GRQNABVRLFEEFT-AWEZNQCLSA-N 313.405 2.107 0 40 DEAB Cn1cncc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCC(=O)N2)C1 643912115 QUEYILHUGACDGN-PKOBYXMFSA-N 324.428 2.058 0 40 DEAB CCCCC(=O)NC[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 8925162 JWSGLXFTKNKRJK-CYBMUJFWSA-N 304.390 2.355 0 40 DEAB O[C@@H](CN1CCN(c2ccccn2)CC1)c1ccc(F)cc1 19402132 TWMLFADMKYHETN-INIZCTEOSA-N 301.365 2.076 0 40 DEAB Cc1cc(F)ccc1NC(=O)Cn1cnc2ccccc2c1=O 5617631 YLAXUFBVDLTKDX-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB Cc1ncnc(C(=O)NCc2cccnc2OC(C)C)c1C 1888853048 ZARHMNLAXOKKNZ-UHFFFAOYSA-N 300.362 2.206 0 40 DEAB O=C(c1cnccn1)N1CC[C@H](Oc2cccc3cccnc23)C1 245171747 XTFBTBBQQYSSLB-AWEZNQCLSA-N 320.352 2.318 0 40 DEAB O=C(N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1)C1(F)CC1 1565548463 COOKQZGPHGLWTM-KBPBESRZSA-N 306.356 2.218 0 40 DEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(CC2CC2)CC1 2055750568 FGWNSGANHKQDMI-UHFFFAOYSA-N 317.433 2.098 0 40 DEAB CO[C@@H](CCSC)CNC(=O)Nc1ccc2c(c1)OCO2 1775966979 ACLXRPUPVJESNG-NSHDSACASA-N 312.391 2.305 0 40 DEAB COc1cc(N2CCN(c3nc4ccccc4o3)CC2=O)ccn1 1775972982 AJJNMKZCPCJGES-UHFFFAOYSA-N 324.340 2.085 0 40 DEAB O=C(Cc1cccs1)NCc1cn(-c2ccsc2)nn1 575618260 KRCVIYVRADOYHZ-UHFFFAOYSA-N 304.400 2.249 0 40 DEAB CC(C)[C@@H](Cn1cncn1)NC(=O)Cn1ccc2ccccc21 575618109 ZRYFAXVFQMJNIT-OAHLLOKOSA-N 311.389 2.074 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1 40159702 RWQYKVWVVPHNHG-RDJZCZTQSA-N 314.429 2.479 0 40 DEAB CCOC(=O)Cc1cc(=O)n2nc(C)c(-c3ccccc3)c2[nH]1 100147630 PPHBJLNLLMLEHX-UHFFFAOYSA-N 311.341 2.104 0 40 DEAB O=S(=O)(Cc1cc(-c2ccccc2)on1)C[C@@H]1CCCO1 40498840 IMWPXABQXWKCJI-AWEZNQCLSA-N 307.371 2.435 0 40 DEAB O=C1C[C@@H](C(=O)NC[C@@H]2Cc3ccccc3O2)c2ccccc2N1 32006094 ZJDOBOQHTFGKIC-DZGCQCFKSA-N 322.364 2.232 0 40 DEAB O=C(O)c1ccc([C@H]2SC=C3Sc4nncn4N32)cc1 20733520 CCQQEWUPYFGEJS-SNVBAGLBSA-N 304.356 2.265 0 40 DEAB CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)Cc2ccco2)c1 32551244 IPTBYCWPISGPTO-UHFFFAOYSA-N 322.386 2.367 0 40 DEAB O=C(NCCCOC[C@@H]1CCCO1)[C@H]1Cc2ccccc2S1 32880040 HYNRSBURPWWUTH-GOEBONIOSA-N 321.442 2.405 0 40 DEAB Cc1cnc(C(=O)NCc2coc(-c3cccs3)n2)cn1 22378585 CKCAAMNQDMUDFG-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB CNC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 12333879 YWVNQEAYMNNGJR-UHFFFAOYSA-N 311.223 2.407 0 40 DEAB CC(C)CN1CCC(Nc2ncc(C(N)=O)cc2Cl)CC1 54056464 MWHOVAHDRGUIBA-UHFFFAOYSA-N 310.829 2.366 0 40 DEAB Cc1cccc(CN2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 23248019 PDGMVDGCSNBGOR-LJQANCHMSA-N 323.440 2.339 0 40 DEAB COCCn1nc(C)c(NC(=O)Cc2ccc(F)cc2)c1C 79663417 PUWPXWVCUJFNQH-UHFFFAOYSA-N 305.353 2.467 0 40 DEAB O=c1[nH]c(Cc2cnoc2)nc2cc(F)c(Br)cc12 97085278 MSECBEFGBCTJEM-UHFFFAOYSA-N 324.109 2.404 0 40 DEAB C[C@@H]1CCc2c(nc3ncnn3c2NCC[C@@H]2CCCN2C)C1 4516985 GQPWCKVLROAUMJ-OLZOCXBDSA-N 314.437 2.145 0 40 DEAB Cc1cc(C(=O)NCc2ccc(OC[C@H]3CCCO3)cc2)[nH]n1 54780398 DKMWGNQFIAAXGW-OAHLLOKOSA-N 315.373 2.206 0 40 DEAB CCn1ccc2cc(NC(=O)CN3CCCOC3=O)ccc21 84586184 GFDITFSOXLUKPC-UHFFFAOYSA-N 301.346 2.442 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)O[C@H]1CCCCC1=O 7620025 LYWDWMJGWBWBQJ-AWEZNQCLSA-N 303.314 2.040 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)Nc1cnn(C[C@@H]2CCCO2)c1 43271184 NLTJZGBXQDLKPO-CJNGLKHVSA-N 315.373 2.468 0 40 DEAB COc1ccc(-n2c(=O)c3[nH]c4ccccc4sc=3c2=O)cc1 105294286 QXCHIWHXKUVXSV-UHFFFAOYSA-N 324.361 2.474 0 40 DEAB COC[C@@H](O)CN(C)c1nc(-c2ccncc2)nc2ccccc12 59949367 UJXOPMKUHAYWPK-AWEZNQCLSA-N 324.384 2.135 0 40 DEAB Cc1c(C(=O)N2CCO[C@H](C(=O)O)C2)sc2ccccc12 43701101 QVXFFRKAFFUZGC-NSHDSACASA-N 305.355 2.135 0 40 DEAB O=C(NC(=S)N1CCN(c2ccccc2)CC1)c1ccco1 3257727 VMQSRQMKYPXHHZ-UHFFFAOYSA-N 315.398 2.117 0 40 DEAB Cc1ccc(C)c(OCCCCC(=O)NCC(=O)N(C)C)c1 58162899 DBKVXRAKSYJZCC-UHFFFAOYSA-N 306.406 2.057 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 44890156 JWFWZHYBGWXABI-KRWDZBQOSA-N 311.385 2.346 0 40 DEAB CN(C)[C@H](CNC(=O)c1cc(-c2ccco2)[nH]n1)c1ccco1 58209715 LTHHRCBWDPNZRX-CYBMUJFWSA-N 314.345 2.295 0 40 DEAB O=C(Nc1cnn(Cc2ccncc2)c1)c1cccnc1S 58264690 DOWKZLIENLBZJG-UHFFFAOYSA-N 311.370 2.262 0 40 DEAB CN1N=C(C(=O)Nc2cccc(-c3nccs3)c2)CCC1=O 58201989 MIOZOBFBRHCQLQ-UHFFFAOYSA-N 314.370 2.357 0 40 DEAB C[C@H]1COCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 44912428 PHPSQPWMFDJCNG-ZDUSSCGKSA-N 311.385 2.222 0 40 DEAB Cc1cc(NC(=O)CCSc2nnnn2C2CCCC2)no1 10572554 AOMWGJLXJYIYLR-UHFFFAOYSA-N 322.394 2.206 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)CCOc1ccccc1Cl 36394489 XXCCAHDGBGDKHZ-LLVKDONJSA-N 312.797 2.140 0 40 DEAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1-n1cnnn1 3388630 JPPGPLRBLVODKI-MRXNPFEDSA-N 319.368 2.470 0 40 DEAB CCOC(=O)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12 2313999 NKSFYXBEICKCPO-UHFFFAOYSA-N 324.720 2.110 0 40 DEAB Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)nc2)cc1 11126433 RHEYDHQXZZVTHF-UHFFFAOYSA-N 311.385 2.157 0 40 DEAB O=C1CSC2=NCN(c3cccc(Br)c3)CN12 2471514 WLBWCYKQEJDSDL-UHFFFAOYSA-N 312.192 2.116 0 40 DEAB Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1C 2616078 YBULYGGREZYSRJ-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc(F)cc1 3437092 HDSQEBBIPGTWOB-UHFFFAOYSA-N 317.272 2.350 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)c1 13170269 MJAQJNNDQVIJAG-OQHXTRMZSA-N 319.357 2.040 0 40 DEAB COC[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 39977593 DCASNCIMQFLGDH-YGRLFVJLSA-N 312.797 2.058 0 40 DEAB COC(=O)CNC(=O)C(C)(C)c1cccc(C(F)(F)F)c1 65624325 TZFJXSGBIALFGI-UHFFFAOYSA-N 303.280 2.272 0 40 DEAB CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21 6830292 DPUAOKOSGWIOEE-UHFFFAOYSA-N 309.325 2.374 0 40 DEAB O=C(CCNC(=O)c1ccc(F)cc1)NCc1ccccc1 20399281 DJTYZUQMGBMNBZ-UHFFFAOYSA-N 300.333 2.262 0 40 DEAB CC(C)c1ccc(/C=C/C(=O)NCCN2CCN(C)CC2)cc1 67511390 VJLGXASZCRDSGN-RMKNXTFCSA-N 315.461 2.187 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCOc1ccccc1 67621161 RJENVRFOCPRYGM-INIZCTEOSA-N 318.417 2.315 0 40 DEAB CCc1ccc(N2C[C@H](C(=O)NCc3ccccn3)CC2=O)cc1 7452282 HFUUNIVUFNQWQN-OAHLLOKOSA-N 323.396 2.313 0 40 DEAB Cn1cc([C@H]2CCCN2CC(=O)Nc2ccc(Cl)cn2)cn1 71797222 XXBRCNRYWHEFJF-CYBMUJFWSA-N 319.796 2.244 0 40 DEAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ncc[nH]3)n2)cc1 67898630 IQJXFFOPZZBBLS-HNNXBMFYSA-N 309.373 2.373 0 40 DEAB biogenic,in-vitro COC(=O)c1cccc(NC(=O)[C@@H](NC(C)=O)C2CCCC2)c1 16469715 ZZZTZWYCUIQOJT-HNNXBMFYSA-N 318.373 2.107 0 40 DEAB CC(=O)c1ccccc1C(=O)N1CCCN(c2ncccn2)CC1 81343783 IPKUHJAGDXGAQZ-UHFFFAOYSA-N 324.384 2.032 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)CN(C)C1=O 8071736 WIWFXLSJFNPWTF-UHFFFAOYSA-N 323.780 2.261 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2n[nH]c3c2CCC3)n1 71870204 XAQWCYWABJLNSB-CYBMUJFWSA-N 313.405 2.017 0 40 DEAB CN(C)C(=O)CNC(=O)c1ccc2noc(-c3ccccc3)c2c1 8359522 YIBODWPXKISUQF-UHFFFAOYSA-N 323.352 2.313 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1C1OCCO1 69451914 LKDYOJGFGIEMPP-MRXNPFEDSA-N 314.385 2.464 0 40 DEAB CCc1noc(CN(C)C(=O)NCCO[C@H]2CCCC[C@@H]2C)n1 69492683 MXLRYNAFQVGVET-STQMWFEESA-N 324.425 2.369 0 40 DEAB Cc1cccc(NC(=O)Nc2cnn(CC(=O)N(C)C)c2)c1C 71915044 UHSQLFHMRHRNEY-UHFFFAOYSA-N 315.377 2.232 0 40 DEAB Cc1occc1CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C 69812516 GPXDUGOYIITHDR-LBPRGKRZSA-N 310.419 2.152 0 40 DEAB Cc1nn2c(SCCc3cccc(F)c3F)nnc2nc1O 97085494 RGONEQDFMQPBTO-UHFFFAOYSA-N 323.328 2.146 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)COc3ccccc3)C2)n1 72235156 JKCGHNZYLSSTNC-OAHLLOKOSA-N 314.389 2.137 0 40 DEAB Cc1ccc(C)c(NC(=O)CSCCN2CCOCC2)c1 72261211 UNYGSDXSFYCBBF-UHFFFAOYSA-N 308.447 2.307 0 40 DEAB O=C(c1ccco1)N1CC2(CCNCC2)C[C@H]1COCC1CC1 306144927 ZSJRACYPZXXOAQ-HNNXBMFYSA-N 318.417 2.291 0 40 DEAB Cc1nc(CNC(=O)NC[C@@]2(C)CCCc3ccccc32)no1 95984019 CJEVACDGUSPCPK-QGZVFWFLSA-N 314.389 2.471 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1CCCN1c1ccc2nccnc2n1 95945000 UOLFQHBNIRQRGU-LBPRGKRZSA-N 300.362 2.335 0 40 DEAB CN(Cc1nccn1C)[C@@H](CO)c1cccc(Br)c1 95980922 ZNEBARJDCJAYFU-ZDUSSCGKSA-N 324.222 2.348 0 40 DEAB C[C@H]1CC[C@@H](C)N1C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 95997820 PEHBOXOSWPLFEG-GIFSMMMISA-N 320.414 2.090 0 40 DEAB CSc1cc(C(=O)Nc2nnn[nH]2)c(Cl)cc1Cl 89493825 ZXQFZWICNWSVRN-UHFFFAOYSA-N 304.162 2.481 0 40 DEAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)CC1(O)CCCC1 89905496 FAHXYRCMURWCTB-CABCVRRESA-N 304.434 2.489 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1cccn1Cc1cccs1 89938691 YOKORPNATXMBRU-CYBMUJFWSA-N 303.431 2.374 0 40 DEAB CC1CCN(c2cccc(NC(=O)NCC[S@@](C)=O)c2)CC1 76070156 HBNHERXLZJNACA-QFIPXVFZSA-N 323.462 2.423 0 40 DEAB Cc1[nH]ccc1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 175745703 FNTCKQIDBAWPIS-GFCCVEGCSA-N 307.394 2.452 0 40 DEAB Cc1ccc(C)n1CC(=O)NC[C@@H]1CCCN2CCCC[C@@H]12 504314503 XGCLXCXDGFNQRH-IRXDYDNUSA-N 303.450 2.486 0 40 DEAB biogenic Cc1c[nH]nc1[C@H]1CCN(S(=O)(=O)c2ccccc2F)C1 72384925 NZTBZDMKQGYOQI-NSHDSACASA-N 309.366 2.035 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)[C@@H]1CCOC1 76388564 ZCAVCVKHYBJBQU-NVXWUHKLSA-N 302.418 2.146 0 40 DEAB CCOCCCNC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 38856784 DQPKFOLBNNZKSH-QGZVFWFLSA-N 304.434 2.441 0 40 DEAB CC(C)CCN1C[C@H](C(=O)Nc2nnc(C(C)C)s2)CC1=O 36367028 ONLZBHLXFTWTPX-LLVKDONJSA-N 324.450 2.495 0 40 DEAB COCCC1(CNC(=O)c2cnn3ncccc23)CCCC1 562435872 OIXTZXMOXCEABK-UHFFFAOYSA-N 302.378 2.056 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](c3nn(C)c4nccnc34)C2)n1 72369160 FXCSVMZGWXXCEI-CYBMUJFWSA-N 323.404 2.154 0 40 DEAB Cc1cc(S(=O)(=O)NCCCc2cccnc2)ccc1F 49720874 NRNGOCHSNGBPCA-UHFFFAOYSA-N 308.378 2.440 0 40 DEAB CCN1CCC[C@@](O)(CN2CCc3[nH]c4ccccc4c3C2)C1 41124089 ZLKMAIPQEUTPRD-IBGZPJMESA-N 313.445 2.373 0 40 DEAB O=C(NC[C@@H]1CCCN(C(=O)c2cscn2)C1)c1ccco1 72324236 BNWCHQINAZAPCY-NSHDSACASA-N 319.386 2.018 0 40 DEAB C[C@](O)(CNC(=O)c1cc2ccccc2oc1=O)c1ccco1 75156228 SQYPIXOFZJMOTB-KRWDZBQOSA-N 313.309 2.024 0 40 DEAB O=C1Nc2ccccc2O[C@H]2C[C@@H]1N(Cc1nccs1)C2 225480386 HKLIHYVFHFDRLL-JQWIXIFHSA-N 301.371 2.117 0 40 DEAB biogenic,in-vitro CCN(CC)C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1 225584131 YXAXXLRAFBOJSY-ZDUSSCGKSA-N 306.410 2.063 0 40 DEAB CCCc1noc([C@H]2CCCCN2C(=O)c2ccnn2C)n1 41123322 QFYGHMTWYQTSOX-LLVKDONJSA-N 303.366 2.123 0 40 DEAB c1coc(CN2C[C@@H]3CN(Cc4ccoc4)CCO[C@@H]3C2)c1 96108187 UGWUEPUQOJCUCO-DOTOQJQBSA-N 302.374 2.205 0 40 DEAB COCC[C@H](C)NS(=O)(=O)c1ccc(-c2coc(C)n2)cc1 96409575 WOIOVRQWFSRVFJ-NSHDSACASA-N 324.402 2.353 0 40 DEAB COC[C@@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)C1CC1 96494043 BAIAEQCPIMDYEQ-DLBZAZTESA-N 318.417 2.065 0 40 DEAB c1cncc(O[C@H]2CN(CC3CCOCC3)[C@H]3CCCO[C@H]23)c1 96058089 YYNYXRCJEMAFBW-BZSNNMDCSA-N 318.417 2.119 0 40 DEAB CCOc1ccc([C@H](N)c2n[nH]c([C@H]3CCCO3)n2)cc1OC 95534308 QEHRKXJZKSVQSV-OCCSQVGLSA-N 318.377 2.112 0 40 DEAB Cc1ccc(O[C@H](C)CNC(=O)CCn2cc(C)cn2)cc1 96431403 IOIOIVOPGIGVFS-OAHLLOKOSA-N 301.390 2.474 0 40 DEAB c1ccc(CO[C@@H]2CO[C@@]3(CCN(C4CCOCC4)C3)C2)nc1 96107645 JMJWMXFESOIHPI-ROUUACIJSA-N 318.417 2.011 0 40 DEAB CCOC[C@@H]1c2c(cnn2C)CCN1Cc1scnc1C 96197753 SLJVLXXJBRWSIU-CYBMUJFWSA-N 306.435 2.321 0 40 DEAB C[C@@H](Cn1ncc2ccccc2c1=O)N[C@@H]1CCCSC1 97370906 BHCRBJTZUVZMFS-GXTWGEPZSA-N 303.431 2.270 0 40 DEAB CCCn1ccc2ccc(NC(=O)NCC(=O)N(C)C)cc21 96435096 GGSJSVHUIPPXRL-UHFFFAOYSA-N 302.378 2.261 0 40 DEAB CCCNC(=O)c1nnn(Cc2ccccc2Cl)c1OC 96183561 PIICTURQCUSYDY-UHFFFAOYSA-N 308.769 2.128 0 40 DEAB C[C@@H]1CCO[C@H]1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 96487347 BFRVZTWXLDRXBP-IAQYHMDHSA-N 303.337 2.053 0 40 DEAB CN(Cc1nccs1)C(=O)Nc1cnn(-c2ccccn2)c1 97212750 MOJMFTARJJXQDW-UHFFFAOYSA-N 314.374 2.388 0 40 DEAB CCN(C)[C@H]1C=CC2(CC1)CCN(C(=O)c1cnccn1)CC2 96240281 ACDPYVQDCUJRGR-HNNXBMFYSA-N 314.433 2.369 0 40 DEAB Cc1cncc([C@H]2CCCN2C(=O)Cc2c(C)nn(C)c2C)n1 257216671 CVPSHIMKABNKAL-MRXNPFEDSA-N 313.405 2.042 0 40 DEAB CO[C@H]1CN(C(=O)Cc2ccccc2F)CC[C@@]12CCCO2 257286758 PMXPESSBXVSOJQ-RDJZCZTQSA-N 307.365 2.165 0 40 DEAB Cc1ccc2nc(C(=O)N3CC[C@H](c4nc(C)c[nH]4)C3)cn2c1 257215096 CORHCPQCYASBJK-ZDUSSCGKSA-N 309.373 2.304 0 40 DEAB O=C(O)c1ccccc1-c1ccc(Cn2c(O)nccc2=O)cc1 257268983 MOBQZCQIBCWAOE-UHFFFAOYSA-N 322.320 2.362 0 40 DEAB CCCNC(=S)Nc1nc(OC)cc(N2CCC[C@H](C)C2)n1 260737764 OHGISMPZPDZZIB-NSHDSACASA-N 323.466 2.418 0 40 DEAB Cn1cc(C(=O)N(Cc2ccoc2)Cc2cccs2)nn1 96120652 FZHUXGWDMGHXFH-UHFFFAOYSA-N 302.359 2.312 0 40 DEAB CN(C)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 30499236 AIMYGTWOGUPWND-INIZCTEOSA-N 304.415 2.268 0 40 DEAB CC(=O)N(C)c1cccc(NC(=O)NCCCn2cccn2)c1 72591432 RUHSQJWXZIKNNJ-UHFFFAOYSA-N 315.377 2.078 0 40 DEAB O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1cnccn1 54590013 WLYNVGYPALAGIQ-UHFFFAOYSA-N 319.368 2.081 0 40 DEAB Cc1cccc(-c2ccc(C(=O)NCc3cnn(C)c3)c(=O)[nH]2)c1 75122500 OEVVIEIBDTYLPB-UHFFFAOYSA-N 322.368 2.014 0 40 DEAB O=c1oc(-c2nccc3ccccc23)nn1Cc1cccnc1 12117143 NLBHWYRTMDETNG-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB O=C(NCCc1ccc2c(c1)OCO2)c1ccc2[nH]cnc2c1 12531412 VJRMMNLALJLUBI-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB O=C(CNC(=O)OCc1ccccc1)NCCc1cccs1 13534181 UNJKDHFHQGIACM-UHFFFAOYSA-N 318.398 2.333 0 40 DEAB Cn1ccc(C(=O)N2CCC[C@H](c3cc4ncccc4[nH]3)C2)n1 19290923 UNFDOXDCKCRQHG-LBPRGKRZSA-N 309.373 2.316 0 40 DEAB OCC12CCCCNCCOc3ccccc3CN(CC1)CC2 643576556 RCIBKYHZNUDMBX-UHFFFAOYSA-N 318.461 2.413 0 40 DEAB CC(=O)N1CCCCCCCN(C(=O)CN)Cc2ccccc21 643587819 OTCRCEFAWJVWGO-UHFFFAOYSA-N 317.433 2.291 0 40 DEAB C[C@@H](Sc1nnnn1C1CC1)C(=O)N1CCc2ccccc21 14245444 LRMJCCRJXYZNNK-SNVBAGLBSA-N 315.402 2.078 0 40 DEAB CCOc1ncccc1CNC(=O)[C@@H]1COc2ccccc2C1 23101926 VQMNNATYPSGEGW-HNNXBMFYSA-N 312.369 2.348 0 40 DEAB COc1cc(NC(=O)N2CC[C@H](O)C2)ccc1Br 96446053 CJIWMBMGNVEVEX-VIFPVBQESA-N 315.167 2.056 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(C(=O)C4CC(C)C4)C[C@H]3O2)no1 1565548962 JVUVYCFDYKKXFW-CTOHCPPHSA-N 305.378 2.103 0 40 DEAB COC[C@]12CCCO[C@H]1CCN(C(=O)C1CC(F)(F)C1)C2 1565547071 MXSLZEZXBDJVNC-GXTWGEPZSA-N 303.349 2.076 0 40 DEAB O=C(NCc1ccsc1)[C@H]1CC(=O)N(c2ccccc2)C1 13698163 VNJFUVLGNLKTFR-ZDUSSCGKSA-N 300.383 2.417 0 40 DEAB CSCC[C@H](O)CNC(=O)c1cc(Br)cs1 1775967199 HQNYOKWRICQNDO-QMMMGPOBSA-N 324.265 2.354 0 40 DEAB COc1ccc(C[C@@](C)(O)CNC(=O)Cc2cccs2)cc1 75155514 YDHZXOISUZWVRK-QGZVFWFLSA-N 319.426 2.409 0 40 DEAB CCc1cccc(NC(=O)NCCN2C[C@@H](C)O[C@H](C)C2)c1 40098821 UIFGJQBUHJIWBQ-ZIAGYGMSSA-N 305.422 2.480 0 40 DEAB CC[C@@H](C(=O)NCCNC(=O)c1ccco1)c1ccccc1 31051845 UGSNRIXPIWVXPS-CQSZACIVSA-N 300.358 2.319 0 40 DEAB Cc1cc(C(=O)COc2cccc(S(C)(=O)=O)c2)c(C)[nH]1 40538776 ZLUDYFSSCOSIOX-UHFFFAOYSA-N 307.371 2.297 0 40 DEAB CN(Cc1ccc(Br)cc1)C[C@@H](O)Cn1cccn1 51558495 AQXVKTGGGPPHCC-CQSZACIVSA-N 324.222 2.139 0 40 DEAB O=C(NCc1nc(-c2ccccc2)cs1)c1ccc(O)nn1 52820379 WRWUWJJWAUPWFW-UHFFFAOYSA-N 312.354 2.236 0 40 DEAB COc1cccc(CN2CCN(Cc3cc(C)no3)CC2)c1 53456218 VDJXIUIXADSQRQ-UHFFFAOYSA-N 301.390 2.309 0 40 DEAB CN(CCCOc1ccc(F)cc1)c1ncnc2c1cnn2C 42110207 NCQAKKPDKVFIIO-UHFFFAOYSA-N 315.352 2.408 0 40 DEAB NC(=O)CC1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 53890680 VOMORKVBACUUDH-NEPJUHHUSA-N 320.355 2.469 0 40 DEAB CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NCc1cccnc1 248290 FJTDJNASEIJSFI-INIZCTEOSA-N 317.433 2.419 0 40 DEAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)no1 426285 KXHHLISDGJYAHN-UHFFFAOYSA-N 305.359 2.275 0 40 DEAB O=C(CCNC(=O)c1ccccc1Cl)NCc1ccco1 3018014 ZCKIACZSWWZRPZ-UHFFFAOYSA-N 306.749 2.369 0 40 DEAB CCc1n[nH]c(=O)c(CNC(=O)Nc2ccc(F)cc2)c1CC 79111410 ZZNPTBOVINKVDV-UHFFFAOYSA-N 318.352 2.356 0 40 DEAB COc1ccc(C(=O)O)c(I)c1OC 1621952 PWELJXSZVWUHIB-UHFFFAOYSA-N 308.071 2.007 0 40 DEAB COC(=O)c1ccoc1Cn1nc(-c2ccc(F)cc2)oc1=O 23492222 BXEFCKXBZYNUEH-UHFFFAOYSA-N 318.260 2.070 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C)c1 3328411 FOTAOENHODRMSS-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB CCCCn1c(COc2ccccc2)nnc1SCC(N)=O 4161318 LLKNOUUZEHEVSB-UHFFFAOYSA-N 320.418 2.235 0 40 DEAB CCCNC(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O 6879694 JFUTZSKYEXMSRW-YFHOEESVSA-N 310.400 2.311 0 40 DEAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1 6885182 KJZCTYMILYVDEM-UHFFFAOYSA-N 300.270 2.223 0 40 DEAB NC(=O)Cc1ccc(NC(=O)CCn2cnc3ccccc32)cc1 24488441 RSNDZPYNVJXFMM-UHFFFAOYSA-N 322.368 2.093 0 40 DEAB CCNC(=O)Nc1c(C(=O)OCC)cnn1-c1ccccc1 10153170 MAJVTJGZWASFOX-UHFFFAOYSA-N 302.334 2.190 0 40 DEAB O=C(CCc1nc2ccccc2s1)OCC(=O)N1CCCC1 3254557 RNGIPCBCZMEITP-UHFFFAOYSA-N 318.398 2.395 0 40 DEAB COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1Cc2ccccc2O1 25183791 BSGXSRXCBSMJJZ-QGZVFWFLSA-N 323.348 2.366 0 40 DEAB Cn1c(=O)n(CCC(=O)N2CCCCCC2)c2ccccc21 25385895 OUEQDIYOOBBXPR-UHFFFAOYSA-N 301.390 2.133 0 40 DEAB NC(=O)CCN(C(=O)/C=C/c1ccco1)c1ccc(F)cc1 12691022 AATDIOIGQAHTNL-BQYQJAHWSA-N 302.305 2.341 0 40 DEAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@H]1c1ccccn1 35170127 MKQWYMQHWDAREF-MRXNPFEDSA-N 324.340 2.256 0 40 DEAB COc1ccc(C[C@H]2COc3cc(O)cc(O)c3C2=O)cc1O 1663391 WIBOONWRYQFYQJ-JTQLQIEISA-N 316.309 2.246 0 40 DEAB endogenous,in-man CN1CC[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)CC1=O 44290726 WWVQCGZSSNZGER-KRWDZBQOSA-N 314.429 2.336 0 40 DEAB Cc1cc(=O)n(CC(=O)NC(C)C)c(-c2cccc(Cl)c2)n1 57526891 MNNXUWFPNLPABD-UHFFFAOYSA-N 319.792 2.397 0 40 DEAB CC(=O)N1c2ccccc2OC(=O)[C@H]1CC(=O)Nc1ccccc1 9926875 GRWNZGIMIYLLHC-OAHLLOKOSA-N 324.336 2.356 0 40 DEAB CC[C@](C)(NC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)OC 58282518 UUFLEXZROKQFTM-DOMZBBRYSA-N 311.765 2.101 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)N[C@H](C)Cn1cccn1 44969672 PIQRBNIRLURCGB-NEPJUHHUSA-N 320.368 2.480 0 40 DEAB CC(C)n1ncc2cc(C(=O)N[C@@H](C)[C@@H]3CCCO3)cnc21 27885437 XZIMMQWXNJGGGS-FZMZJTMJSA-N 302.378 2.310 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)COc1ccc(F)cc1 58421765 RZFFZMYBPXYSGS-LBPRGKRZSA-N 320.412 2.491 0 40 DEAB COC(=O)c1ccc(COC(=O)c2ccc3c(c2)OCCO3)o1 3459787 MJOKLFKIQZOCGL-UHFFFAOYSA-N 318.281 2.194 0 40 DEAB Cc1ccsc1CNC(=O)Cn1ncc(=O)c2ccccc21 45485562 AWLAYFOQZPCFQB-UHFFFAOYSA-N 313.382 2.083 0 40 DEAB CC(C)(C)c1ccc(OCCNC(=O)c2nccnc2N)cc1 11241722 LMSQWGMPZHMVMC-UHFFFAOYSA-N 314.389 2.165 0 40 DEAB O=C1N(Cc2cccnc2)c2ccc(F)cc2C12CCNCC2 109760120 FDTPJNNRPCPLFR-UHFFFAOYSA-N 311.360 2.389 0 40 DEAB COc1ccccc1OCC(=O)N1CCn2cccc2[C@H]1C 29379207 AYXICPKUKMFXMV-CYBMUJFWSA-N 300.358 2.479 0 40 DEAB O=C(O)Cc1ccc(OCC(=O)NCCc2cccs2)cc1 12979947 OSMIDNCALMJIHV-UHFFFAOYSA-N 319.382 2.113 0 40 DEAB CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 13171047 WNVXNXUVWSOBHV-DNGMOHDESA-N 303.358 2.422 0 40 DEAB CCC(N[C@@H](C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 4313043 VGVRPXDWSAJPOU-NSHDSACASA-N 315.373 2.052 0 40 DEAB COc1c(CNCc2ccccc2-n2cccn2)c(C)nn1C 65475861 IKEZMPFAAIMJPD-UHFFFAOYSA-N 311.389 2.213 0 40 DEAB CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2Br)CC1 65586405 LPOBDSBUMQVZID-OLZOCXBDSA-N 323.234 2.327 0 40 DEAB CCc1[nH]c(C(=O)OCC(=O)c2ccc[nH]2)c(C)c1C(=O)OC 14110314 PTMRTJJESYMTRH-UHFFFAOYSA-N 318.329 2.040 0 40 DEAB CCCn1ccnc1SCC(=O)NC(=O)NCCC(C)C 6589379 JWZXNWZIKMFKGK-UHFFFAOYSA-N 312.439 2.257 0 40 DEAB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccccc2)cc1 4942435 ANBOCESXDSOYAI-UHFFFAOYSA-N 318.398 2.302 0 40 DEAB COCc1nc2n(n1)C[C@@H](N[C@H](C)c1sccc1C)CC2 90396441 NUHXXUQYLXGGAL-NEPJUHHUSA-N 306.435 2.460 0 40 DEAB COc1ccc(CSc2nnnn2C)cc1Br 7495360 KINJTTAMKAENSR-UHFFFAOYSA-N 315.196 2.274 0 40 DEAB C[C@H](CCNC(=O)NC[C@]1(O)CCSC1)c1ccccc1 96447330 YUAZOHACNLNSHS-CZUORRHYSA-N 308.447 2.347 0 40 DEAB C1CCC(c2nc(CN3CCCC4(C3)OCCO4)no2)CC1 90562604 BKGGSUJTMXOYNM-UHFFFAOYSA-N 307.394 2.456 0 40 DEAB O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@@H]2CCC[C@@H]21 71826961 ZYZCZWBYBBUNDI-JKSUJKDBSA-N 315.348 2.405 0 40 DEAB Cn1c(NCCO)nc2scc(-c3cccs3)c2c1=O 69161099 SSZYDVIFAFUTLK-UHFFFAOYSA-N 307.400 2.128 0 40 DEAB CCNC(=O)CN(CC)c1ncnc2sc3c(c12)CCC3 8202389 YMORDFLVKAHBGP-UHFFFAOYSA-N 304.419 2.142 0 40 DEAB O=C(Cc1n[nH]c2ccccc12)N1CCC[C@H](n2cccn2)C1 69432945 MIYRIGFHMJPQST-ZDUSSCGKSA-N 309.373 2.166 0 40 DEAB CN(C)[C@@H]1CCC[C@H]1Nc1ccc2nnc(C(F)(F)F)n2n1 71922381 MJTOQOKVUNZWFM-RKDXNWHRSA-N 314.315 2.038 0 40 DEAB CCOC(=O)CN(CC(C)C)C(=O)CSCc1ccncc1 69516007 WQGQXIHKPBDJRA-UHFFFAOYSA-N 324.446 2.363 0 40 DEAB CCc1ccc([C@@H]2CCCN2CCC(=O)N2CCOCC2)o1 71910695 WKBHIGUZJZAIEX-HNNXBMFYSA-N 306.406 2.228 0 40 DEAB CCn1c(C)nnc1S[C@@H](Cc1ccccc1)C(=O)NC 97371749 HAQIJMUFJCQTJB-ZDUSSCGKSA-N 304.419 2.056 0 40 DEAB Cn1ncc2c(NCc3nc(C(F)(F)F)cs3)ncnc21 95434868 XLKNXPHWFHTLEX-UHFFFAOYSA-N 314.296 2.451 0 40 DEAB Cc1cc(C[S@@](=O)Cc2noc(-c3ccccc3)n2)on1 95428084 QCPZXRYJAAINOB-NRFANRHFSA-N 303.343 2.482 0 40 DEAB CC(=O)Nc1ccc(C)cc1OC[C@@H](O)CN1CCC(C)CC1 95974908 SJPLLAULUNJEIL-INIZCTEOSA-N 320.433 2.425 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)n(C)c(=O)n2C 74956660 UNSPIULUQZNCPF-LBPRGKRZSA-N 321.380 2.468 0 40 DEAB COCc1cc(NC(=O)c2c(F)c(F)cc(F)c2F)ncn1 89420315 DANBGTXJUXWAAC-UHFFFAOYSA-N 315.226 2.432 0 40 DEAB C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C[C@H](C)O1 75123333 PWYYBAYPFUCBBT-YUMQZZPRSA-N 319.283 2.035 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 306127223 FSDCFEBRYUVWTO-YCPHGPKFSA-N 316.401 2.124 0 40 DEAB Cn1ccnc1[C@@H]1N(C(=O)CC2(O)CCCCC2)CC1(C)C 514712005 USQWZTGSHPQABA-AWEZNQCLSA-N 305.422 2.415 0 40 DEAB CCn1nc(C)cc1-c1nn2c(-c3cccnc3)nnc2s1 32072012 OFUQXDVFWLUGKM-UHFFFAOYSA-N 311.374 2.440 0 40 DEAB Cc1nc(CC(=O)N2CCC(c3cnccn3)CC2)cs1 72385932 HIYQIXBPXYGANQ-UHFFFAOYSA-N 302.403 2.190 0 40 DEAB Cc1cccc(CC(=O)NCC[S@](=O)c2ccccc2)c1 78914725 GQPBGQFFCJSGAW-OAQYLSRUSA-N 301.411 2.462 0 40 DEAB CCOC(=O)c1cc(C(=O)OCC)n(Cc2ccccc2)n1 38259240 PTUYOKYXVZEOPS-UHFFFAOYSA-N 302.330 2.285 0 40 DEAB Brc1cnc(NCCCOC[C@H]2CCOC2)nc1 77229683 CTRPAZPPCTXASN-SNVBAGLBSA-N 316.199 2.094 0 40 DEAB O=C(CCCc1nnc2ccccn12)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 79494376 JHEVZAVGRGFBBH-ILXRZTDVSA-N 310.401 2.380 0 40 DEAB COCCCn1ccc(Nc2ncc(Br)cn2)n1 78334482 BRMRSFQWBRPDPB-UHFFFAOYSA-N 312.171 2.216 0 40 DEAB CC[C@@](NC(=O)c1c(Cl)cnn1C)(C(=O)O)c1ccccc1 566506401 URWIYYPXJZBNLX-HNNXBMFYSA-N 321.764 2.193 0 40 DEAB CCOCCCNC(=O)Cn1ccc(=O)c2ccc(Cl)cc21 225736449 FOXIXMPDRSDNER-UHFFFAOYSA-N 322.792 2.198 0 40 DEAB COc1ccc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc2c1OC 41475130 UTZQMBAICXBXMB-QWRGUYRKSA-N 303.362 2.261 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)C1CCS(=O)CC1 81833302 VRQRUESZRZDLEU-KFQBCUIXSA-N 305.443 2.468 0 40 DEAB Cc1nc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cs1 49508025 LXAKDGWZIMOLDT-UHFFFAOYSA-N 317.370 2.168 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 225676295 DQZFMEXFYVAOGQ-DGAVXFQQSA-N 301.342 2.205 0 40 DEAB Cc1ccc2cccc(NC(=O)N[C@H](C)Cn3cncn3)c2n1 96406196 IGIHZJIHPWZKEM-GFCCVEGCSA-N 310.361 2.345 0 40 DEAB Cn1ncc2c1[C@@H](COCC1CC1)N(Cc1ccccn1)CC2 96197775 AEXZVOVYIMSFRW-QGZVFWFLSA-N 312.417 2.341 0 40 DEAB Cc1nnc(N2CC[C@@]3(C[C@@H](N4CCCC4)CCO3)C2)s1 96217713 WFDUSSMSBLEDSP-DZGCQCFKSA-N 308.451 2.070 0 40 DEAB CS[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)CCC(C)C 96417115 RJLDLNXXJDMBNL-QWHCGFSZSA-N 300.468 2.329 0 40 DEAB CCOCC(=O)N[C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 96449243 KOWOERIAYASBEZ-LBPRGKRZSA-N 324.396 2.001 0 40 DEAB CCN1CCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1=O 96038445 DJFMLRMPLAGHNP-UHFFFAOYSA-N 304.365 2.300 0 40 DEAB CC(=O)N(C)CC(=O)NCC1(c2ccc(F)cc2Cl)CC1 96487467 MHCXQGXCGMSOGK-UHFFFAOYSA-N 312.772 2.105 0 40 DEAB O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cccnc1 96502844 ORCQUBQURHJPAK-UHFFFAOYSA-N 312.354 2.339 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)N[C@@H]1COc2ccccc21 96439584 BOIBIGQENHNDAP-CQSZACIVSA-N 314.389 2.472 0 40 DEAB CC[C@]1(C)Oc2ccc(NC(=O)Cc3ccn(C)n3)cc2O1 97104348 IXHFZVVNAQJQJB-MRXNPFEDSA-N 301.346 2.499 0 40 DEAB CN1C(=O)C2(CCN(C(=O)c3ccccn3)CC2)c2ccccc21 96052501 NJQAHUCUSQGLCL-UHFFFAOYSA-N 321.380 2.232 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1ccncn1 257258699 KVDATAXREZDUOP-OAHLLOKOSA-N 303.387 2.144 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3ccc4ccccc4n3)CCO2)n1 257242194 IBLXTRSQUSQUKX-INIZCTEOSA-N 322.368 2.480 0 40 DEAB Cc1cc([C@H]2CN(C(=O)CN3CCC(C)CC3)CCO2)ccn1 257225034 FENIQQKZTVSTGS-QGZVFWFLSA-N 317.433 2.022 0 40 DEAB FC(F)(F)c1sccc1CNCc1nnc2n1CCOC2 527701591 WIDJHBMJRVXNMS-UHFFFAOYSA-N 318.324 2.178 0 40 DEAB CCN1C(=O)C[C@@H](C(=O)NC2CCC2)[C@@H]1c1ccccc1OC 257301243 RXQJYFBONQELPS-PBHICJAKSA-N 316.401 2.273 0 40 DEAB CN1CCC(c2c(C(=O)N(C)C)sc3nccnc23)CC1 257293539 QPZDMQSBXVYZSQ-UHFFFAOYSA-N 304.419 2.202 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)CCc1ccccc1F 257201007 AFTXTFCCTWGZRL-HNNXBMFYSA-N 317.364 2.390 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@]2(O)CCc3ccccc3C2)c1 90611444 ZQQDYABZEDOXBU-FQEVSTJZSA-N 324.424 2.402 0 40 DEAB CCS(=O)(=O)NCC1CCN(Cc2ccc(C)cc2)CC1 69515501 IIVZHIVWAGUCDK-UHFFFAOYSA-N 310.463 2.146 0 40 DEAB CCc1cc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)[nH]n1 72281148 SDRWCSVLRGUTIT-UHFFFAOYSA-N 312.373 2.251 0 40 DEAB Cc1ccnc(N2CC(n3nc(-c4ccccc4)ccc3=O)C2)n1 1776001613 BODJQZXFGYKRQG-UHFFFAOYSA-N 319.368 2.070 0 40 DEAB O=C(CC1CCCC1)N1CC(c2nc(-c3ncccn3)no2)C1 49482871 SZQKNOWYJSSMDS-UHFFFAOYSA-N 313.361 2.033 0 40 DEAB C[C@@H]1CCCN(CCCNC(=O)c2cnn(C(C)(C)C)c2)C1 53154515 IEVCLFQFEVZGRH-CQSZACIVSA-N 306.454 2.490 0 40 DEAB C[C@@H](O)CC(C)(C)CNC(=O)Nc1cnn(CC(F)(F)F)c1 76070537 KBRLDHWWVADZHA-SECBINFHSA-N 322.331 2.364 0 40 DEAB CCOc1c(CNCC(=O)NC(C)(C)C)c(C)nn1CC(C)C 97159039 ZSKROGWGGLOYCC-UHFFFAOYSA-N 324.469 2.251 0 40 DEAB COc1ccccc1[C@H](NC(=O)c1ccccn1)c1nccn1C 12114904 GDRIXIASKRDXFK-INIZCTEOSA-N 322.368 2.343 0 40 DEAB CCc1nc2cccnc2n1CCNC(=O)Cc1cccs1 12115857 WZUNVTMHADTXDW-UHFFFAOYSA-N 314.414 2.414 0 40 DEAB O=C(CCNC(=O)NC1CCCCC1)NCCc1ccccc1 12925571 REFYGBYSOWZTFF-UHFFFAOYSA-N 317.433 2.367 0 40 DEAB CCS(=O)(=O)N1CCc2cc(C(=O)NC3CCCC3)ccc21 13610106 RPFMSZJNUSHCRE-UHFFFAOYSA-N 322.430 2.071 0 40 DEAB O=C(C[C@@H]1CSc2nccc(=O)n21)Nc1ccccc1F 14031131 GZBDQDLGPFDAKK-SECBINFHSA-N 305.334 2.058 0 40 DEAB CNc1ncccc1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2C 19713394 IYXVEBAYUDMMJF-CRAIPNDOSA-N 316.449 2.489 0 40 DEAB Cn1ccnc1[C@H](NC(=O)c1ccncc1)c1cccc(F)c1 18235851 IQTKMSMCTKOANP-OAHLLOKOSA-N 310.332 2.474 0 40 DEAB O=C1COc2ccccc2CCCCC2(CCNCC2)CN1 2037843401 CDAFXWBBLIKPTO-UHFFFAOYSA-N 302.418 2.278 0 40 DEAB CC(C)/C=C/C(=O)N1C[C@@H]2OCCN(CC3CCCC3)[C@H]2C1 2056223283 CTKFDOSELOYCMT-FNQZAJIHSA-N 306.450 2.300 0 40 DEAB COc1ncccc1C(=O)N1CC(n2c(C)nc3ccccc32)C1 1775974802 QPAOHWUWNPHAFE-UHFFFAOYSA-N 322.368 2.445 0 40 DEAB Cc1ccc(-n2ncc3c(C)nnc(SCC(N)=O)c32)cc1 38488198 HNMFMWADMRRMPT-UHFFFAOYSA-N 313.386 2.010 0 40 DEAB COc1ccccc1C(=O)NCCN1Cc2ccccc2C1=O 303439 SATUSIBILFJYJT-UHFFFAOYSA-N 310.353 2.081 0 40 DEAB CNc1nn2c(=O)cc(C)[nH]c2c1-c1nc(-c2ccccc2)no1 57354753 IMDYBJVJYZZZIY-UHFFFAOYSA-N 322.328 2.090 0 40 DEAB Cc1cc(CN(C)C(=O)c2ccc(N3CCCC3=O)cc2)no1 31658962 KVPZBBPYAFBMDE-UHFFFAOYSA-N 313.357 2.382 0 40 DEAB O=S(=O)(NCCCn1cccn1)C1=Cc2ccccc2CC1 40504560 YCPVJRNLKSSTHG-UHFFFAOYSA-N 317.414 2.180 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 40554301 BSRWZHLYQMQZMB-HOTGVXAUSA-N 323.414 2.221 0 40 DEAB Cn1cc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(C)c3n2)cn1 20615686 YBARFVYTXKRMJT-UHFFFAOYSA-N 323.328 2.329 0 40 DEAB CC1(C)C[C@@H](NCCNCc2ccc3c(c2)OCO3)CCO1 32123838 PIAIRWUOQZBEBC-AWEZNQCLSA-N 306.406 2.052 0 40 DEAB biogenic Cc1ncc(CN(C)CCN2C(=O)c3ccccc3C2=O)s1 52101203 FSHBZSLDHKVHTD-UHFFFAOYSA-N 315.398 2.180 0 40 DEAB O=C(Cc1ccc2c(c1)OCO2)OCc1ccc2c(c1)OCO2 52744554 FLKBULJKAYVEBN-UHFFFAOYSA-N 314.293 2.430 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 102839205 ZIVSMMZWULXRQI-XUXIUFHCSA-N 301.342 2.150 0 40 DEAB O=C(NC[C@@H]1CCOC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 42060048 RTQYJJCJFVFPEC-JTQLQIEISA-N 305.765 2.496 0 40 DEAB Cn1ccnc1SCC(=O)c1cc2c(cc1F)NC(=O)CC2 42128243 QSPZWAPFFSIHBP-UHFFFAOYSA-N 319.361 2.419 0 40 DEAB C[C@@H]1CCCCN1CCNC(=O)c1cc(F)cc2[nH]cnc12 53810267 VZDPKNHHIQEBFW-LLVKDONJSA-N 304.369 2.306 0 40 DEAB C[C@H](SC(=O)c1cccs1)C(=O)N[C@H]1CCSC1=O 4382 MKTVMEMIKNBVHI-YUMQZZPRSA-N 315.441 2.158 0 40 DEAB in-man COC(=O)c1ccc(COc2cccc(S(C)(=O)=O)c2)cc1 47363427 PRYHPNSSOIFXQV-UHFFFAOYSA-N 320.366 2.456 0 40 DEAB O=C(NC(=S)Nc1ccccc1O)c1ccc2c(c1)OCO2 568379 PJFCQUNIFGFYCR-UHFFFAOYSA-N 316.338 2.248 0 40 DEAB Cc1cc(C)n2c(SCC(=O)NC3CCCCC3)nnc2n1 1365237 QAISRLNVLFSXRD-UHFFFAOYSA-N 319.434 2.282 0 40 DEAB COC(=O)c1ccc(C)c(NCC(=O)N2CCC[C@@H](C)C2)c1 54531676 FVZFTRRGBVZDAQ-GFCCVEGCSA-N 304.390 2.452 0 40 DEAB C[C@@H](c1ccccc1)n1cc(C(=O)NCc2ccncc2)nn1 4083281 CZRAAWLDMZYKFO-ZDUSSCGKSA-N 307.357 2.212 0 40 DEAB O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)c1 4155519 VTOBAQSGVFJUTB-CRWXNKLISA-N 309.321 2.086 0 40 DEAB CCNC(=S)N1CCC(NC(=O)c2ccc(C)cc2)CC1 4888552 VVPJKGMXAOBTIT-UHFFFAOYSA-N 305.447 2.084 0 40 DEAB CCOc1ccc(NC(=O)NCCNC(=O)c2ccco2)cc1 43145133 XIFNVEFFJSTNKV-UHFFFAOYSA-N 317.345 2.230 0 40 DEAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2N)cc1 6296633 WGSPJVYSALFCJY-UHFFFAOYSA-N 312.325 2.267 0 40 DEAB O=C([C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1CCc1ccccc1 55486290 QHGKQEAWEGUMKV-JKSUJKDBSA-N 321.442 2.045 0 40 DEAB CCc1cnc(N2CC[C@H]3[C@@H]2CCC(=O)N3c2cccnc2)nc1 107205945 LXHZYHURIQSVKN-HOTGVXAUSA-N 323.400 2.208 0 40 DEAB COc1ccccc1S(=O)(=O)Nc1cccc2cn[nH]c12 43585902 JUMCBWLAJOYJJM-UHFFFAOYSA-N 303.343 2.372 0 40 DEAB COc1ccnc(N[C@@H](CC(=O)N(C)C)c2ccccc2)n1 57151760 CVFXMCJCBNARGJ-ZDUSSCGKSA-N 300.362 2.117 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 108486223 WCGMEJAIYJFJKF-OUAUKWLOSA-N 309.312 2.392 0 40 DEAB O=C(NCCc1cccs1)[C@@H]1CC(=O)N(Cc2ccco2)C1 27389683 OIPPVXUHHTVZTP-GFCCVEGCSA-N 318.398 2.049 0 40 DEAB O=C(CCCc1ccccc1)NCCCCN1CCOCC1 48284300 WAZCTCYIWOTCLT-UHFFFAOYSA-N 304.434 2.238 0 40 DEAB CN(C)[C@@H](CNC(=O)c1cc(-c2ccco2)[nH]n1)c1ccco1 58209714 LTHHRCBWDPNZRX-ZDUSSCGKSA-N 314.345 2.295 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cc(Cl)ccc1C 58265441 OQHXUBVUEQORPU-SNVBAGLBSA-N 315.826 2.377 0 40 DEAB COCCn1cc(NC(=O)N[C@H]2CCc3ccccc32)cn1 44967242 KRRZEENJOCYKDK-HNNXBMFYSA-N 300.362 2.339 0 40 DEAB C[C@H](NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)c1cccs1 44911761 SCZUCBSDNIZSJN-DTWKUNHWSA-N 320.336 2.336 0 40 DEAB O=C(c1cccc(F)c1)N1CCN(c2ccccc2O)CC1 3311171 YZQCGTLXRCGLGD-UHFFFAOYSA-N 300.333 2.494 0 40 DEAB O=C(NC1CCC(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 45417663 NOSVCSGTOOMNJO-PCKAHOCUSA-N 321.442 2.264 0 40 DEAB CCCCCN(Cc1ccc(F)cc1)C(=O)[C@H](C)NC(N)=O 45906669 BKDQGBYWEXLNIM-LBPRGKRZSA-N 309.385 2.401 0 40 DEAB C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)Cc1ccccc1 46107494 MXXSMFDKWNNVMH-CYBMUJFWSA-N 309.431 2.439 0 40 DEAB CCNC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1C 113942089 TZNJKUVWBOGBHQ-UHFFFAOYSA-N 324.446 2.309 0 40 DEAB COc1ccc([C@H](O)CNC(=O)C[C@H](C)n2cccc2)cc1 95350914 JCXRIMLONJLCBQ-XJKSGUPXSA-N 302.374 2.298 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 84721519 YWFWLDDRGJJNLV-ABAIWWIYSA-N 321.373 2.165 0 40 DEAB CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)O 6364541 UICILYMJVHXSFN-NSHDSACASA-N 323.773 2.257 0 40 DEAB O=c1c(=O)n(-c2cccc(F)c2)ccn1Cc1ccc(F)cc1 22722969 KXJKPQRHTSXHLN-UHFFFAOYSA-N 314.291 2.326 0 40 DEAB NC(=O)Nc1ccc(C(=O)NCCc2ccc(F)cc2)cc1 14283910 QNMCEWHXVTTWRH-UHFFFAOYSA-N 301.321 2.289 0 40 DEAB CCc1nnc(SCC(=O)Nc2cccc(C(C)=O)c2)n1C 9328401 HBVYZOHFJJTPNS-UHFFFAOYSA-N 318.402 2.311 0 40 DEAB Cc1cc(NC(=O)c2csnn2)n(-c2ccccc2F)n1 66664064 NPXXBWUFIUNBKO-UHFFFAOYSA-N 303.322 2.424 0 40 DEAB Cc1cc(C)c(CNC(=O)Cc2c[nH]c3ccccc23)c(=O)[nH]1 7117957 AHRZWZRJGFRVOL-UHFFFAOYSA-N 309.369 2.332 0 40 DEAB CCC[C@H]1SCCN1S(=O)(=O)c1c(C)nn(CC)c1C 96487436 QGWPWIDWPIRBKE-GFCCVEGCSA-N 317.480 2.384 0 40 DEAB CCc1nsc(N2CCN(C(=O)N[C@@H]3CCC[C@H]3C)CC2)n1 96439919 SSXYRXFVTGUNEC-VXGBXAGGSA-N 323.466 2.121 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1S(N)(=O)=O 7751302 LHORKEIWKOELHS-GFCCVEGCSA-N 318.398 2.133 0 40 DEAB O=C1N[C@H](CCc2ccccc2)C(=O)N1Cc1cscn1 69157790 YXYWTVLAOMRTBX-CYBMUJFWSA-N 301.371 2.196 0 40 DEAB Cc1ccc2c(CCNC(=O)CSc3ncn[nH]3)c[nH]c2c1 69443219 RBAVPOIBQWRNEJ-UHFFFAOYSA-N 315.402 2.045 0 40 DEAB Cc1csc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 69417109 DCTBSSCLQAMJDV-UHFFFAOYSA-N 322.367 2.359 0 40 DEAB C[C@@]1(C(=O)NCc2nc(-c3ccco3)n[nH]2)CC1(Cl)Cl 71858698 GVAYTYKDYSCDJC-NSHDSACASA-N 315.160 2.265 0 40 DEAB CC(C)NC(=O)[C@H](C)N1CCC[C@H](C(=O)N2CCCCCC2)C1 69593267 KVTVSKSNLCMRAN-HOTGVXAUSA-N 323.481 2.014 0 40 DEAB COc1ccc2cc(CN3CCN4C(=O)NC[C@@H]4C3)ccc2c1 91864143 GTPSBADMXHSJOR-MRXNPFEDSA-N 311.385 2.058 0 40 DEAB CCn1c(S[C@@H](C)c2ccncc2)nnc1N1CCOCC1 69771421 HAXDJOSKBQYUKD-LBPRGKRZSA-N 319.434 2.383 0 40 DEAB C[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC(C)(C)O1 69737800 ORDKPGKWDFXFBH-CQSZACIVSA-N 318.417 2.163 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)Oc2ccccc21 69774734 SKXRFRZBFAPEAH-SNVBAGLBSA-N 321.402 2.013 0 40 DEAB CCOC(=O)CCCCCN1CCC[C@@H](C(=O)NCC2CC2)C1 69968989 JOKNOAWWVNRVGT-MRXNPFEDSA-N 324.465 2.348 0 40 DEAB CCOc1ccccc1CCNC(=O)NC1(CO)CCCC1 95416152 SFJRUITVTNJVBG-UHFFFAOYSA-N 306.406 2.232 0 40 DEAB CC[S@@](=O)c1ccccc1C(=O)NCCC1=CCOCC1 95436346 CLDKKKXOIXWLEQ-NRFANRHFSA-N 307.415 2.281 0 40 DEAB Cc1nccn1-c1ccc([C@@H](C)Nc2ccc(C(N)=O)nn2)cc1 95429691 IFMLOIHMPASLGS-LLVKDONJSA-N 322.372 2.243 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)n[nH]1 84110351 LQDVUDATZYHYJA-WMLDXEAASA-N 311.385 2.428 0 40 DEAB CCc1cc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)[nH]n1 97017500 YPNAQIZPBOAXER-GFCCVEGCSA-N 305.309 2.057 0 40 DEAB CN(C)C(=O)[C@@H]1CC[C@@H](CN[C@@H]2CCSc3ccccc32)O1 95985161 FFKVEEQUKSSWAT-CFVMTHIKSA-N 320.458 2.449 0 40 DEAB C[C@H]1COCCN1C(=O)Nc1ccn(Cc2ccccc2)n1 95951298 GGGPLHFFWAEYHL-ZDUSSCGKSA-N 300.362 2.184 0 40 DEAB COC(=O)c1cc(CN[C@]2(CO)CCc3ccccc32)oc1C 95980393 OLVQXQRSOMMBSV-SFHVURJKSA-N 315.369 2.298 0 40 DEAB O=C(O)CCN(C(=O)c1ccc2[nH]ccc2c1)C1CCOCC1 95970184 YLTLPOOKMUDZQK-UHFFFAOYSA-N 316.357 2.264 0 40 DEAB CCNC(=O)c1ccc(N2CCC[C@@H](c3nccs3)C2)nn1 95994712 YTKQNAVIOFECCN-LLVKDONJSA-N 317.418 2.067 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)c2ccc(F)cc2N)cc1 9954418 QKPLHJAQDIMJQN-UHFFFAOYSA-N 316.332 2.190 0 40 DEAB 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IRQJUBRKOABKEB-MRXNPFEDSA-N 302.418 2.445 0 40 DEAB OCCN1CCC(CNCc2cccc(C(F)(F)F)c2)CC1 69370460 ICKSITAGBGAEAS-UHFFFAOYSA-N 316.367 2.499 0 40 DEAB c1cnc2nc(N3CCC(c4nncn4C4CC4)CC3)ccc2n1 91483561 XFNCEZJECUWQSA-UHFFFAOYSA-N 321.388 2.335 0 40 DEAB O=c1nc(-c2cc(Br)ccc2F)[nH]c2nccnc12 118100154 LHPQWJITDCJULL-UHFFFAOYSA-N 321.109 2.282 0 40 DEAB COc1ccc(C(C)=O)cc1CC(=O)N1CCC[C@@H]1C(C)(C)O 89291985 NNYHUSYEENSTNG-MRXNPFEDSA-N 319.401 2.202 0 40 DEAB CCn1cc(C(=O)NCc2ccncc2)c(=O)c2ccc(C)nc21 9646258 RVLRCSWHAAUWMC-UHFFFAOYSA-N 322.368 2.050 0 40 DEAB CC1(C)CC[C@@H](NC(=O)CSCC(N)=O)c2ccccc21 72047886 JADDHQPBVDFGDH-CYBMUJFWSA-N 306.431 2.134 0 40 DEAB Cc1cn2c(CN3CC(=O)N[C@@H]4CCCC[C@@H]43)c(C)nc2s1 92703421 JDLFTRHCRLNNHS-OLZOCXBDSA-N 318.446 2.256 0 40 DEAB NC(=O)OCCNC(=O)Cc1csc2ccc(Cl)cc12 97085107 PQKYJJQOOVXREY-UHFFFAOYSA-N 312.778 2.309 0 40 DEAB COCCNC(=O)NCCCO[C@@H]1CCCc2ccccc21 73998029 BBLZGRASSXWFLD-MRXNPFEDSA-N 306.406 2.416 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(C(C)C)s1 97164228 PCYCZBAFUJQDOI-UHFFFAOYSA-N 314.436 2.418 0 40 DEAB Cc1cc(C)n([C@H](C)C(=O)NC[C@@](C)(O)c2ccsc2)n1 72306600 GBCGLHFEWVAFSD-IUODEOHRSA-N 307.419 2.146 0 40 DEAB CS(=O)(=O)CCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12 89484304 BJBIRXAIANMSHC-CVEARBPZSA-N 317.410 2.104 0 40 DEAB NC(=O)[C@H]1CCC[C@H]1Nc1nccc(OCc2ccccc2)n1 89601155 DQTLCEHGFHYVMD-UONOGXRCSA-N 312.373 2.122 0 40 DEAB CCc1nnnn1-c1ccccc1NC(=O)c1cccnc1C 76040842 MKHRXVJHTRPWED-UHFFFAOYSA-N 308.345 2.180 0 40 DEAB COc1ccc(Br)cc1CC(=O)O[C@H]1CCOC1 76090338 YHMUIJJPKKEUGO-NSHDSACASA-N 315.163 2.332 0 40 DEAB O=C(c1ccnc2[nH]nnc12)N1CCC[C@@H](Nc2ccccc2)C1 555577331 ARTPUGVLFSWZDU-CYBMUJFWSA-N 322.372 2.070 0 40 DEAB CS(=O)(=O)NCc1cccc(-c2ccc3c(c2)CCOC3)c1 527588706 CBRVWSAKXZYBRT-UHFFFAOYSA-N 317.410 2.476 0 40 DEAB CS(=O)(=O)N1CCC[C@H]1c1cccc(Nc2nccs2)n1 72375184 BYTBRMGCRWWIIL-NSHDSACASA-N 324.431 2.378 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1cnn(-c2ccc(Cl)cc2)c1 35481159 DTLOZKLLXWVLAE-AWEZNQCLSA-N 305.765 2.435 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@](C)(O)c2ccsc2)cn1 77574961 BMIHPHOXAKWQBX-INIZCTEOSA-N 319.430 2.201 0 40 DEAB CCC[C@@H](C)N(C)CC(=O)Nc1cccc(S(C)(=O)=O)c1 32913840 RRCSEVUDLFSOOH-GFCCVEGCSA-N 312.435 2.149 0 40 DEAB Cc1ccc(F)c(OC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c1 78126044 HJWKDUWFVFWFHN-SECBINFHSA-N 319.254 2.450 0 40 DEAB O=S(=O)(C[C@H]1CCCCO1)Nc1cc(F)c(F)cc1F 76937357 DMHNPWWAPNQLMI-MRVPVSSYSA-N 309.309 2.415 0 40 DEAB COCCOc1cccc(C(=O)N2CCOC[C@H]2C2CCC2)c1 565018548 RQCDXOFLWMOHCO-KRWDZBQOSA-N 319.401 2.353 0 40 DEAB N[C@@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1ccccc1 195555088 MWEZGPPSRLNPPU-ZWKOTPCHSA-N 310.397 2.157 0 40 DEAB COCC1CCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)CC1 87355537 BBGUBHDJSKXSSU-MRXNPFEDSA-N 324.465 2.299 0 40 DEAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCOCC1 225771118 IVMPVCFBVHQKLX-UHFFFAOYSA-N 309.778 2.331 0 40 DEAB O=C(c1ccc(O)cc1)N1CCN(c2nccc3occc23)CC1 195576686 JVRDHYWPVAHROK-UHFFFAOYSA-N 323.352 2.496 0 40 DEAB COc1ccccc1O[C@@H](C)CNC(=O)c1n[nH]c2c1CCC2 96431657 JTGPNALBLHWNRK-NSHDSACASA-N 315.373 2.104 0 40 DEAB C[C@@H](c1cccs1)S(=O)(=O)Cc1nnc(C2CC2)n1C 90989410 DXNYWUDRWMYCKB-VIFPVBQESA-N 311.432 2.430 0 40 DEAB CCO[C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1Cc1ccccc1 96200406 OQVTWLLZECTOIY-ULQDDVLXSA-N 303.402 2.272 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)[C@@]3(C)CCCS3)CC2)o1 96476085 HQRPOMZBOGLCHS-MRXNPFEDSA-N 322.430 2.158 0 40 DEAB CNC(=O)c1cccnc1N1CC[C@H](c2ccc(OC)cc2)C1 96427348 YUAIWTTWDMGAKQ-AWEZNQCLSA-N 311.385 2.444 0 40 DEAB c1cc(CN2CCN(Cc3ccncc3)CC2)c2[nH]ncc2c1 97376984 YTEOERHMDOGUDV-UHFFFAOYSA-N 307.401 2.276 0 40 DEAB COc1cc(CN2CCN(Cc3ccno3)CC2)cc(OC)c1 96447993 PCHYCIKFNHOSOB-UHFFFAOYSA-N 317.389 2.010 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@H](Oc4ccccn4)CO3)C2)nc1 96107652 BOMNMWWQIUJSQY-WMZOPIPTSA-N 311.385 2.289 0 40 DEAB O=c1/c(=C/N(c2ccccc2)c2ccccc2)sc2ncnn12 256055729 QYEUCKGKYJAWMC-PTNGSMBKSA-N 320.377 2.446 0 40 DEAB O=C(NC[C@@H](O)c1ccc2c(c1)CCO2)c1c(F)cccc1F 85558988 WFFRRCJCBZFHCI-CQSZACIVSA-N 319.307 2.363 0 40 DEAB Cc1cc2cc(C(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)ccc2o1 257231741 GHZXTDSOTKSFKP-IIAWOOMASA-N 303.358 2.135 0 40 DEAB Cc1ccsc1CN1CCO[C@H](CCc2cc(O)ncn2)C1 257222838 DUVVIXOHODDFFF-CQSZACIVSA-N 319.430 2.386 0 40 DEAB CC[C@H](C)C[C@H](C)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 252581635 GQXOAVBOIPLTJW-DCAQKATOSA-N 323.359 2.274 0 40 DEAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCOC[C@@H]1c1ccn[nH]1 257274363 NKRSVYRCQDWHTH-OAHLLOKOSA-N 314.320 2.244 0 40 DEAB COc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC2CC2)n1 260720795 UKIUDZCGQXAPQB-SNVBAGLBSA-N 321.450 2.313 0 40 DEAB COC(=O)c1ccc(C(F)(F)F)nc1SCC(=O)N(C)C 390834030 QNFXUHMRNWQHRX-UHFFFAOYSA-N 322.308 2.067 0 40 DEAB O=C1CCCC(=O)N1CCNC(=O)[C@H]1CC[C@H](C2CCC2)CC1 585105612 ZYXGQUYUTKOWLZ-SHTZXODSSA-N 320.433 2.248 0 40 DEAB CNc1ncccc1CN1CCNC[C@@H]1c1ccc(OC)cc1 585182266 KMAUUNMPTCOJJD-QGZVFWFLSA-N 312.417 2.278 0 40 DEAB CCN1CCN([C@H]2CCC[C@@H](Oc3ccccc3C)[C@@H]2O)CC1 585289683 LWGILOFRVRZQBV-QXAKKESOSA-N 318.461 2.293 0 40 DEAB Cn1nc(-c2ccccn2)cc1CNC(=O)c1cc(C2CC2)on1 1775985977 MHSGVOVASUNBPL-UHFFFAOYSA-N 323.356 2.278 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)CCn1ccccc1=O 75138195 IDXVVMPCLOAFAD-UHFFFAOYSA-N 322.368 2.371 0 40 DEAB COc1cccc2c(C(=O)N3C[C@H]4CCC[C@@]4(N)C3)coc12 1579288476 QPPVLDHLYUANIY-PIGZYNQJSA-N 300.358 2.395 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)C(=O)c1ccc(C(C)(C)C)cc1 58145402 HPQAOQSOXZBVNK-LBPRGKRZSA-N 318.417 2.198 0 40 DEAB Cc1cnn(-c2ccc(C(=O)NO[C@@H]3CCCCO3)cc2)c1 58418773 SBVAPVNJAOYLBN-OAHLLOKOSA-N 301.346 2.369 0 40 DEAB O=C(NCc1cccnc1N1CCOCC1)Nc1ccsc1 79095691 WLHZHFKHLHRKBN-UHFFFAOYSA-N 318.402 2.301 0 40 DEAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc[n+]([O-])cc1 79070676 RKFYJLWCTNRXRL-INIZCTEOSA-N 311.385 2.191 0 40 DEAB O=C(NC[C@@H](Cc1cccc(F)c1)N1CCCCC1=O)C1CC1 85467541 XAOQOHHJQPBSRC-MRXNPFEDSA-N 318.392 2.276 0 40 DEAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCCC[C@@H]1CO 95444597 OZULDLWANTYPGJ-ZYOFXKKJSA-N 323.776 2.455 0 40 DEAB CCOc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)ccc1O 5906129 JFELRYODWLSPOC-GHXNOFRVSA-N 321.358 2.435 0 40 DEAB NC(=O)NCCCCC(=O)Nc1cccc(C(F)(F)F)c1 14121547 VNMRIXPRHMJLPM-UHFFFAOYSA-N 303.284 2.483 0 40 DEAB O=C(C1CCC1)N1CCC[C@@H]1Cn1nnc(-c2cccs2)n1 19344985 XYGQLSKDGTXONW-GFCCVEGCSA-N 317.418 2.193 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CCC2)c1C 6639025 BTZNVFMTFDBQQX-UHFFFAOYSA-N 307.346 2.334 0 40 DEAB CC(=O)c1ccc(NC(=O)CN2Cc3ccccc3C2=O)cc1 6875794 BQJGVORSFMMUOD-UHFFFAOYSA-N 308.337 2.484 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)N1CC(Cn2cc(Cl)cn2)C1 1848815451 YFOPOBHDYZCSRL-GFCCVEGCSA-N 319.792 2.462 0 40 DEAB Nc1cc(N)nc(SCc2nnc(-c3cccs3)o2)n1 5689758 GRIBACHNYJGCQH-UHFFFAOYSA-N 306.376 2.045 0 40 DEAB O=C(NC1CC1)C1CCN(c2nc3cnccc3s2)CC1 2087122345 LQNCTPVDNNNNEO-UHFFFAOYSA-N 302.403 2.186 0 40 DEAB COC[C@@](C)(CNC(=O)c1cc(Cl)ccc1OC)OC 575612613 NGRHZARCTGYXTA-CQSZACIVSA-N 301.770 2.130 0 40 DEAB C[C@H](OCc1ccccc1)C(=O)Nc1ccc(-n2cncn2)nc1 30897855 KSNUESCHQFIKPW-ZDUSSCGKSA-N 323.356 2.206 0 40 DEAB Nc1nc(Cl)cc(NCc2ccc(N3CCCC3)nc2)n1 40497818 ZQQUWAKAFLYCAN-UHFFFAOYSA-N 304.785 2.320 0 40 DEAB Cc1nc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)sc1C 40497549 TZCJSTBCCZZHRZ-LBPRGKRZSA-N 317.418 2.405 0 40 DEAB CC(C)c1noc([C@H](C)Sc2nnnn2C[C@@H]2CCCO2)n1 40496561 AJMWZQVYQJPUTP-UWVGGRQHSA-N 324.410 2.212 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)NC[C@H]1Cc2ccccc2O1 31731863 HDSDBYWAKBIBJS-HZPDHXFCSA-N 324.380 2.293 0 40 DEAB O=C(/C=C/c1ccccc1Cl)NCCCN1CCOCC1 20494450 MTWQXLKOOGBFKB-VOTSOKGWSA-N 308.809 2.192 0 40 DEAB CN1N=C(c2cccs2)[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21 101130213 OTKZEPUDALMARI-OCCSQVGLSA-N 317.414 2.084 0 40 DEAB Cn1ccc(NC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 32778135 QWCQOHAUFLAWBS-UHFFFAOYSA-N 308.382 2.006 0 40 DEAB CC(=O)c1ccc(C(=O)NC[C@H](O)COc2ccccc2)s1 41333989 GKFKAGNNBQCZBS-LBPRGKRZSA-N 319.382 2.120 0 40 DEAB O=C(NCc1nnc2n1CCCC2)N1CC[C@@H]1c1ccccc1 47150514 OXABVMAVVVXQSA-CQSZACIVSA-N 311.389 2.271 0 40 DEAB CC(=O)Nc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 269547 UXVDMWABBOXYQI-SFHVURJKSA-N 324.336 2.058 0 40 DEAB biogenic COc1ccc(CCNC(=O)c2nc(-c3ccncc3)no2)cc1 12390660 DCAHTXDHBHYTLB-UHFFFAOYSA-N 324.340 2.113 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CCn2nnc3ccccc32)cc1 419226 NRIXHMHXPDVJSS-UHFFFAOYSA-N 323.356 2.419 0 40 DEAB O=C(Cn1c(CO)nc2ccccc21)c1ccc2c(c1)CCO2 71140054 HYKSTDFJQXMSIC-UHFFFAOYSA-N 308.337 2.346 0 40 DEAB CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(Cl)c1C 6953185 GESQDCNOPKKQJN-LBPRGKRZSA-N 323.824 2.187 0 40 DEAB CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCOC1 106535229 RWDHNBWOWYEVCT-SJORKVTESA-N 317.433 2.081 0 40 DEAB COc1ccc(C)cc1NC(=O)CSc1nc(C)cc(=O)[nH]1 3242741 YGIFJOJZNYDCHH-UHFFFAOYSA-N 319.386 2.126 0 40 DEAB CCOC(=O)[C@H](C)Sc1nnc2n1CCN2c1ccccc1 9574076 FVPFMCDQGXKGQF-NSHDSACASA-N 318.402 2.474 0 40 DEAB CCN1CCN(C[C@@H](O)CO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101214068 PXUDSLJPHISHRI-ZMMAXQRCSA-N 324.509 2.216 0 40 DEAB O=C(Nc1cnn(Cc2cccnc2)c1)c1cccnc1S 58230176 AZWMVYPYNRVZHY-UHFFFAOYSA-N 311.370 2.262 0 40 DEAB Fc1ccc(F)c(CNCc2ccc(-n3cncn3)nc2)c1 58246749 OGQHGDSMUHKKPH-UHFFFAOYSA-N 301.300 2.230 0 40 DEAB CCOc1ccc2nc(NC(=O)[C@@H](C)n3cncn3)sc2c1 12790266 VVKOXCANJGIBBY-SECBINFHSA-N 317.374 2.486 0 40 DEAB Fc1ccc(F)c(-c2nnc3sc(Cn4cccn4)nn23)c1 44901080 GARMNCUJNZXFFI-UHFFFAOYSA-N 318.312 2.376 0 40 DEAB CCn1cc(C(=O)N(Cc2ccco2)C2CCN(C)CC2)cn1 74429029 KJTKSYCTSGALDC-UHFFFAOYSA-N 316.405 2.233 0 40 DEAB O=C(c1ncccc1O)N1CCCN(Cc2ccccc2)CC1 58355828 DXRSSPRBWRJDGB-UHFFFAOYSA-N 311.385 2.135 0 40 DEAB Cc1ccc([C@H](CNC[C@H]2CNc3ccnn3C2)N(C)C)cc1 58304918 REPRLXGMSDSSGS-RDJZCZTQSA-N 313.449 2.126 0 40 DEAB C[C@H]1C[C@H]1C(=O)NCCC(=O)NCC(C)(C)c1ccccc1F 58332793 GEOBHTGYAXNGEC-QWHCGFSZSA-N 320.408 2.382 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)NC(C)C)cc1OCC 3309452 ZHFSNWWPOHFURT-UHFFFAOYSA-N 309.362 2.165 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCN(CCC(C)C)CC1 58824893 QRFOLABWAJJTTQ-CQSZACIVSA-N 320.481 2.331 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 48324357 UNPNOPVFXOOREK-GFCCVEGCSA-N 316.430 2.385 0 40 DEAB Cc1cc(C)c(OC[C@@H](O)CN2C[C@H](C)O[C@H](C)C2)c(C)c1 27531009 BMTCIIHNBMUGSX-BBWFWOEESA-N 307.434 2.461 0 40 DEAB COc1ncccc1CNC(=O)N1CCC[C@@H]1c1cc(C)no1 45965577 VGKBLICEDPCQRN-CYBMUJFWSA-N 316.361 2.433 0 40 DEAB CCn1cc(C(=O)N[C@@H](C)COC)c(=O)c2cc(C)ccc21 22234745 GDOWSBDGPOFQDB-LBPRGKRZSA-N 302.374 2.095 0 40 DEAB Cc1nnnn1-c1ccc(C(=O)N2CCc3ccccc3C2)cc1 71287462 QVZVDQAPYFSJDR-UHFFFAOYSA-N 319.368 2.169 0 40 DEAB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(C)=O 20151231 SPZFNWRHGHWWLN-UHFFFAOYSA-N 320.370 2.280 0 40 DEAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)cc1O 95418180 CPWGDVOKJBAOFZ-ZDUSSCGKSA-N 302.374 2.288 0 40 DEAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1cccnc1 5244101 YVBVWGSPZCGIPO-GFCCVEGCSA-N 324.336 2.272 0 40 DEAB biogenic CC(C)OCCCNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 65475298 NTHIHRIIDMJQHE-AWEZNQCLSA-N 322.405 2.206 0 40 DEAB C[C@@H](Sc1nc(N)cc(N)n1)C(=O)c1ccc2c(c1)CCC2 6533220 FFPRTOHQYZZSDL-SECBINFHSA-N 314.414 2.493 0 40 DEAB COc1ccccc1C(=O)NCC(=O)N1CCc2ccccc21 15563626 XPIXLMUCZQTIQQ-UHFFFAOYSA-N 310.353 2.014 0 40 DEAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCNC(=O)CC2)c1 71839489 KYPQKIVJVCFPEN-AWEZNQCLSA-N 318.417 2.234 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCN2CCCC[C@@H]2C1 71839770 YCNNMAHIBPDCNO-GOSISDBHSA-N 324.428 2.112 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2ccccc2F)CC1 68487935 FCYICTQNPKMBBN-UHFFFAOYSA-N 302.353 2.457 0 40 DEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1Cn1cccn1 71866350 QUDOYEYTJBHYCP-CQSZACIVSA-N 322.368 2.029 0 40 DEAB Cc1ccc([C@@H](NC(=O)c2n[nH]c(=O)[nH]2)c2ccccc2)cc1C 71819844 CHQQSJHERMNZKL-HNNXBMFYSA-N 322.368 2.234 0 40 DEAB c1ccc2sc(N3CCO[C@H](Cn4cccn4)C3)nc2c1 69392049 SVKGCPPCBDJOEG-LBPRGKRZSA-N 300.387 2.398 0 40 DEAB CCNC(=O)CCCC(=O)NCCN(CC)c1cccc(C)c1 69491336 AULVLYFJRGQAJV-UHFFFAOYSA-N 319.449 2.244 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c2ccccc2n1 69489611 QVJOMEOMWFPJTH-QWHCGFSZSA-N 311.385 2.269 0 40 DEAB CCc1noc(CN(C)C(=O)NCCO[C@H]2CCCC[C@H]2C)n1 69492686 MXLRYNAFQVGVET-OLZOCXBDSA-N 324.425 2.369 0 40 DEAB Clc1ccccc1-n1ncc2c(N3CCOCC3)ncnc21 9627315 QOYONDPNKOPOIM-UHFFFAOYSA-N 315.764 2.306 0 40 DEAB C[C@H](On1nnc2ccccc21)C(=O)Nc1ccc2c(c1)CCC2 9690018 SEBCOYACMRCFFY-LBPRGKRZSA-N 322.368 2.376 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)Nc1cnc(C(C)(C)C)nc1 69570317 LMDXNNFBJOEJLY-NSHDSACASA-N 321.425 2.200 0 40 DEAB CC(C)(CNC(=O)N1CC[C@@H](C(N)=O)C1)c1ccccc1Cl 69631713 IJGIZCDXNHVFRC-LLVKDONJSA-N 323.824 2.134 0 40 DEAB CCOCCN1CCN(Cc2nc(-c3ccco3)oc2C)CC1 69656087 BJQWDNDGCLBKKI-UHFFFAOYSA-N 319.405 2.397 0 40 DEAB CC(C)n1nnnc1S[C@@H](C)C(=O)NCc1cccs1 8548100 DPISPELSJIUNNR-VIFPVBQESA-N 311.436 2.113 0 40 DEAB COc1ccnc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c1 83984314 PDNFAKOTQWOHLN-CYBMUJFWSA-N 314.345 2.328 0 40 DEAB Cc1occc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 18049837 RNEPRYIGOHZDAC-UHFFFAOYSA-N 312.247 2.374 0 40 DEAB CC(C)OCCN(C)C[C@@H](c1cccs1)N1CCOCC1 89887858 PDFCTEQFMIDYSQ-HNNXBMFYSA-N 312.479 2.478 0 40 DEAB C[C@H](NC(N)=O)C(=O)NCc1ccc(Oc2ccccc2)cc1 69817140 OUZHEEPZMBRBEV-LBPRGKRZSA-N 313.357 2.152 0 40 DEAB 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0 40 DEAB COc1ccc(Br)cc1[C@@H]1N[C@@H](C(=O)O)CS1 205149 XIIXYYUMGBJWCR-PSASIEDQSA-N 318.192 2.246 0 40 DEAB CCOC(=O)Cc1csc(S[C@@H]2CCCCNC2=O)n1 32871718 FSGCJUQMJVNKNV-SNVBAGLBSA-N 314.432 2.010 0 40 DEAB Cn1c(=O)n(CC(=O)NCCC2=CCCCC2)c2ccccc21 22322530 HNKVXAISCJMJGN-UHFFFAOYSA-N 313.401 2.347 0 40 DEAB O=C(CN1CCN(Cc2cccs2)CC1)NC1CCCCC1 22784156 VPYVJIGVHJLBNE-UHFFFAOYSA-N 321.490 2.315 0 40 DEAB COC(=O)c1cc2c(=O)n(-c3cccc(OC)c3)ccc2nc1C 12391025 RKTLOBYWUBXWAO-UHFFFAOYSA-N 324.336 2.489 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@](C)(O)CC 72304467 VHHKDASEOHRAAB-JCKWVBRZSA-N 320.433 2.108 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cnc2ccccc2n1 47490438 WQPKPLIWTCCLHR-GFCCVEGCSA-N 307.357 2.171 0 40 DEAB Cn1c(C(=O)NCCCn2cccn2)cc(Cl)c1Cl 47475961 WCBDOWXDQKTFPV-UHFFFAOYSA-N 301.177 2.349 0 40 DEAB Cc1nc(-c2cccc(C(=O)OCCCn3cccn3)c2)no1 78948275 RQGZMLBVGVVNLW-UHFFFAOYSA-N 312.329 2.489 0 40 DEAB CC[C@H](C)[C@]1(CC)C(=O)N=C(NCc2ccccc2)NC1=O 1664918 PIWCYWXMTSSFHX-LBPRGKRZSA-N 301.390 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Cc1cc2n(n1)C[C@H](CNCc1ccc([C@H](C)O)cc1)CN2 58291768 UNRJITIPAHRQKA-DZGCQCFKSA-N 300.406 2.076 0 40 DEAB CCOc1ccc(CCC(=O)N[C@H](C)C(=O)NC(C)(C)C)cc1 58265694 RPAHWFBCUSXNNL-CYBMUJFWSA-N 320.433 2.437 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 44977502 HAOROYKRDCWKDX-NSHDSACASA-N 313.336 2.231 0 40 DEAB CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)C(=O)O 89279688 GALIWSGCDJHYRH-WBIUFABUSA-N 321.373 2.272 0 40 DEAB CCn1c(C)cc(C(=O)NCC2CCN(CCOC)CC2)c1C 89300316 OGMFAEBRZNAELL-UHFFFAOYSA-N 321.465 2.213 0 40 DEAB COCCN(C)C[C@H]1CCCN1C(=O)NCc1ccccc1F 58344258 XOHWKOIIWUCNOW-OAHLLOKOSA-N 323.412 2.078 0 40 DEAB CC[C@@H](O)CN(CC(=O)NCc1ccco1)c1ccccc1 58331836 GVIVXKYJPMFNOE-OAHLLOKOSA-N 302.374 2.173 0 40 DEAB O=C(NCC(=O)N1CCc2ccccc21)NCc1ccccc1 12606636 SJCVIZQQUFUFDA-UHFFFAOYSA-N 309.369 2.075 0 40 DEAB CCCC[S@](=N)(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2583233 IIJKAKPMCGGPSE-CWKPULSASA-N 322.427 2.201 0 40 DEAB Cn1c(=O)c(C(=O)NCCc2ccccc2)c(O)c2ccccc21 100512523 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CCCN(C[C@H]1COc2ccccc2O1)C(=O)[C@H]1CCOC1 65591055 MSOHSNUHCGIBFG-KBPBESRZSA-N 305.374 2.102 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N[C@@H]2CCC[C@H]2CO)cn1 95412087 SXFNSGDUHMBXBH-WCQYABFASA-N 312.435 2.227 0 40 DEAB CS(=O)(=O)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 66500053 QOJWOULEWQMZKR-HNNXBMFYSA-N 306.383 2.138 0 40 DEAB CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 66608213 MUSQZSMIKKDTPG-VHSXEESVSA-N 302.362 2.284 0 40 DEAB CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@H](C)c1cccnc1 96440888 SNRGRKDYJXXGGW-CHWSQXEVSA-N 306.410 2.087 0 40 DEAB Cc1cccn2c(=O)cc(CN(C)C[C@H]3CCCCO3)nc12 71821819 IRICAPYBALWTPW-OAHLLOKOSA-N 301.390 2.004 0 40 DEAB C[C@H](CNc1nc2ccccc2c(=O)[nH]1)CC1(C)OCCO1 80702138 UDCYJDWINSTJIY-NSHDSACASA-N 303.362 2.124 0 40 DEAB Cc1cc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)no1 7820816 SRLZUZWZZLBTQX-QGZVFWFLSA-N 311.341 2.267 0 40 DEAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1CCOCC1 16642720 WMRTZESRWCWIGG-UHFFFAOYSA-N 323.755 2.446 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69489350 FAYXMHNIRYKKKP-QAETUUGQSA-N 324.465 2.046 0 40 DEAB CS(=O)(=O)NCC1CCN(Cc2ccccc2Cl)CC1 69532093 IWQONYQTOMDGCN-UHFFFAOYSA-N 316.854 2.101 0 40 DEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H]1Cn1cccn1 69771291 ISTXKCAHPXOUNA-ZDUSSCGKSA-N 323.352 2.294 0 40 DEAB COC(=O)N1CCC[C@H](NC(=O)NCc2ccccc2C)C1 69776058 HEBKXMDVRXQGBM-AWEZNQCLSA-N 305.378 2.025 0 40 DEAB COc1ccccc1S(=O)(=O)N[C@H]1CCOc2ccccc21 69822354 CSYVTCAAEKRSBG-ZDUSSCGKSA-N 319.382 2.497 0 40 DEAB COC(=O)c1ccc(C(=O)O[C@@H](C)CCn2cccn2)cc1 95997336 UQQDVHKGNBZNPB-LBPRGKRZSA-N 302.330 2.305 0 40 DEAB Cn1ccc(NC(=O)COc2cccc3c2OC(C)(C)C3)n1 18948821 ONTXPQLOYATDJA-UHFFFAOYSA-N 301.346 2.151 0 40 DEAB CCCCn1nccc1NC(=O)C(=O)N1C[C@H]2CC=CC[C@H]2C1 95972323 JHLQLTDNAREJQC-OKILXGFUSA-N 316.405 2.046 0 40 DEAB COc1ccc2c(c1)OC[C@@H](N[C@@H](C)CCn1cccn1)C2 95996922 DXRGWUANHMGYTQ-ZFWWWQNUSA-N 301.390 2.264 0 40 DEAB Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@@H](CO)c1ccccc1 97020983 UTCQUFXQIQAOEZ-NHYWBVRUSA-N 317.389 2.428 0 40 DEAB CCn1nccc1CNCc1ccc(N2CCOC2=O)cc1 97083988 MQPXUGXSZXRXNQ-UHFFFAOYSA-N 300.362 2.149 0 40 DEAB Cc1cccc(NC(=O)NCCN(C)C)c1Br 97162597 XYAYMSVCTZRBHK-UHFFFAOYSA-N 300.200 2.441 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)NC[C@@]2(O)CCSC2)c(C)c1 89612122 BLNNUXJCBYICRI-PBHICJAKSA-N 322.474 2.402 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)N2CCC(N3CCCCC3)CC2)no1 26439492 JCMLVLWPAFYRJQ-CQSZACIVSA-N 320.437 2.260 0 40 DEAB O=S(=O)(Nc1cn[nH]c1-c1ccccn1)c1ccccc1F 89814063 FRPZBHJFPAMADU-UHFFFAOYSA-N 318.333 2.412 0 40 DEAB Cc1n[nH]c([C@@H]2CN(C(=O)[C@H](C)c3cc(C)oc3C)CCO2)n1 76044863 JFILRJFQTBSRLL-YGRLFVJLSA-N 318.377 2.027 0 40 DEAB CCOc1ccc(/C=C/C(=O)NCCCC(=O)O)cc1OCC 62715032 UZKXFHYHJAWSPC-CSKARUKUSA-N 321.373 2.478 0 40 DEAB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2ccc(F)c(F)c2)n1O 524733372 MFWZQGRHHIOTAS-LLVKDONJSA-O 311.308 2.052 0 40 DEAB C[C@@H]1CCC[C@H](OCC(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530075431 IRCCWBIACGERNF-VNHYZAJKSA-N 319.405 2.441 0 40 DEAB Cc1cccc([C@H]2CCCCN2CCN2C(=O)CNC2=O)c1C 75999680 FKOMJDRDXAOVCL-MRXNPFEDSA-N 315.417 2.382 0 40 DEAB C[C@H](NC(=O)/C=C/c1cncc(F)c1)C(=O)N1CCCC[C@H]1C 79050612 BEWSZUQIQWXTDD-VWWYUBIBSA-N 319.380 2.140 0 40 DEAB CC(C)Sc1ccc(CC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)cc1 75162446 MEXXEZNTGGRWAB-TZMCWYRMSA-N 305.399 2.256 0 40 DEAB Cc1noc(C)c1C(=O)OC1CCN(C(=O)OC(C)C)CC1 79037257 OOUPBZGBBNIUSY-UHFFFAOYSA-N 310.350 2.458 0 40 DEAB CC1(C)C(NC(=O)c2cc(N3CCOCC3)ccn2)C1(C)C 562499790 QUCXVZKECOUKFL-UHFFFAOYSA-N 303.406 2.083 0 40 DEAB CCOC(=O)C1=NN(c2cc(C)cc(C)c2)[C@](C)(C(=O)O)C1 71979442 QBNCODBIXDMPAR-INIZCTEOSA-N 304.346 2.276 0 40 DEAB O=C(CCOc1ccccc1)NCc1nc(-c2ccccn2)no1 78914949 ZTSWYENWOPUXJF-UHFFFAOYSA-N 324.340 2.217 0 40 DEAB Cc1csc(NC(=O)CN(C)Cc2nccn2C(F)F)n1 72765928 CCUFZUNDGXSNIS-UHFFFAOYSA-N 315.349 2.114 0 40 DEAB Cc1noc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)n1 40714319 PJCUEYPMSSPQEZ-LBPRGKRZSA-N 315.329 2.474 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCN(CCO)C1 79411151 NYQJXGOHNLAGIF-KRWDZBQOSA-N 320.433 2.490 0 40 DEAB c1cncc(-c2nnc([C@H]3CCN(C4CCOCC4)C3)o2)c1 49169700 IFOHDEGRIPSOPL-ZDUSSCGKSA-N 300.362 2.100 0 40 DEAB biogenic,in-vitro CCOC(=O)CCC(=O)Nc1nnc(-c2cc(C)cs2)o1 75154660 MRUDCSXFPZPPHH-UHFFFAOYSA-N 309.347 2.388 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccn(C)c2c1 49543565 QQQBXMRSIRYAAB-AWEZNQCLSA-N 302.374 2.496 0 40 DEAB biogenic O=C(c1ccno1)N1CCC(c2nnc(-c3ccco3)o2)CC1 44098721 DQFWBDMISHFPRJ-UHFFFAOYSA-N 314.301 2.337 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 192531282 HNDBUXLBYKSLKI-BYNSBNAKSA-N 320.433 2.263 0 40 DEAB COC(=O)N1CCC([C@@H](C)NC[C@H](O)C2CCCCC2)CC1 225599392 FXDPOVRHLTXGTM-CJNGLKHVSA-N 312.454 2.384 0 40 DEAB COC(=O)[C@@H]1CC(=O)N(c2ccc(N3CCCCC3)c(F)c2)C1 45958312 KFWNUOXBBDYDGY-GFCCVEGCSA-N 320.364 2.342 0 40 DEAB CNC(=O)CCCC(=O)N1CC=C(c2c(F)cccc2F)CC1 225443302 UBUSASFPEQHLOT-UHFFFAOYSA-N 322.355 2.497 0 40 DEAB CCN1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 225781306 ZPFSJFCOWLGRTO-UHFFFAOYSA-N 320.393 2.122 0 40 DEAB CC1=NNC(=O)[C@H]1CCNC(=O)C[C@@H](C)Cc1cccc(F)c1 531055657 UDIPMXOWOINXDA-NHYWBVRUSA-N 319.380 2.023 0 40 DEAB CS[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)CCC(C)C 96417114 RJLDLNXXJDMBNL-CHWSQXEVSA-N 300.468 2.329 0 40 DEAB Cn1cc([C@H]2CO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)cn1 96073490 ILBZPVOEIKVZGR-CXAGYDPISA-N 315.373 2.192 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(Cc4cncn4C)C3)CC2=O)cc1 96238484 RHHJFAPJMTZUAV-LJQANCHMSA-N 324.428 2.358 0 40 DEAB CN(C)c1ccccc1CN1CCN(C[C@@H]2CCCO2)CC1 96441361 IQMOIBZEMNFVKA-KRWDZBQOSA-N 303.450 2.049 0 40 DEAB COC[C@@H]1CN(Cc2cccnc2)Cc2nn(CC3CC3)cc21 96060460 QOPQUSCOQBFQSM-INIZCTEOSA-N 312.417 2.434 0 40 DEAB Cn1cc(N2CC[C@]3(CCCN(Cc4ccco4)C3)C2=O)cn1 96048776 UXBHKTUFCMRIBR-KRWDZBQOSA-N 314.389 2.032 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@H]3CNCC[C@H]32)cc1F 257336794 YQBBJHXJLSLYKR-DZGCQCFKSA-N 306.381 2.439 0 40 DEAB CNC(=O)CN1CCC[C@H](Cc2ccnc3ccncc23)CC1 257247083 IXIZMDYGLOTTFV-AWEZNQCLSA-N 312.417 2.020 0 40 DEAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)Cc3cccnc3)C2)n1 257233548 GPRJRZZRKFHYQI-QGZVFWFLSA-N 324.428 2.455 0 40 DEAB Cn1cnc(CNC(=O)c2cncc(Cc3ccccc3F)c2)c1 257293728 QQXIWTPSPZBMMF-UHFFFAOYSA-N 324.359 2.475 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)on2)nc(C)n1 257260030 LBBICQUSSQXRRG-ZDUSSCGKSA-N 301.350 2.100 0 40 DEAB C[C@@H]1c2nc(C(=O)NCC3CC3)cn2CCN1CC1CCC1 253592592 XERAIDPHWLGVSD-GFCCVEGCSA-N 302.422 2.200 0 40 DEAB Clc1cnc2ncc(-c3cncc(C4CCNCC4)n3)n2c1 257233690 GQFXEQLCJIDNFE-UHFFFAOYSA-N 314.780 2.307 0 40 DEAB Cc1cc(N)nc([C@@]2(C)CCCN2C(=O)c2c(C)noc2C)n1 257293770 QRDLBLRRZKPLTP-MRXNPFEDSA-N 315.377 2.123 0 40 DEAB CC(C)C(=O)N1CC2(C[C@@H](OCc3ccncc3)CS2)C1 575402894 DSZJHVSDAIKNES-CQSZACIVSA-N 306.431 2.341 0 40 DEAB CCc1nnc(NC(=O)N(CCOC)c2ccccc2)s1 585141044 OMDPNBHNOFNGIR-UHFFFAOYSA-N 306.391 2.785 0 40 DEAB CN(CCOc1ccccc1)Cn1ncc2ccccc2c1=O 40479997 WFPMSOTXGQJMDN-UHFFFAOYSA-N 309.369 2.365 0 40 DEAB C[C@H](NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl)C(N)=O 56585870 JDUSSNZCMIRCTD-YFKPBYRVSA-N 300.145 2.078 0 40 DEAB CC(C)=CC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 57260410 CRHVBGZSSBZHQS-HNNXBMFYSA-N 301.390 2.041 0 40 DEAB O=C([C@H]1COCCO1)N(Cc1ccc(F)cc1)CC(F)(F)F 76041234 UFVLZWLTQOUYKQ-GFCCVEGCSA-N 321.270 2.132 0 40 DEAB CC(C)c1nc(C(=O)N2C[C@@H](N3CCOCC3)[C@H](C)C2)cs1 76053598 DWADPDYSPMANTA-TZMCWYRMSA-N 323.462 2.059 0 40 DEAB CC[S@](=O)c1ccccc1C(=O)N(C)Cc1cc(C)on1 89274718 PLWQGUZOOGEZSL-OAQYLSRUSA-N 306.387 2.383 0 40 DEAB C[C@H](CNc1cncc(Br)c1)CN1CCOCC1 78295348 XNAJSSCBONUHTC-LLVKDONJSA-N 314.227 2.224 0 40 DEAB Cc1csc2nc(COC(=O)c3ccccc3)cc(=O)n12 5128567 KUDILSYOWNCLQZ-UHFFFAOYSA-N 300.339 2.421 0 40 DEAB CCn1c(=O)n(CC(=O)N2[C@@H](C)CCC[C@H]2C)c2cccnc21 12117534 WQYWTWDHKVQMEW-BETUJISGSA-N 316.405 2.007 0 40 DEAB O=C(NN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccccc1Cl 207291390 XJSWXBVILJZLBI-VDUILEQBSA-N 318.760 2.016 0 40 DEAB CC(C)(C)OC(=O)N[C@H](CCO)C(=O)OCc1ccccc1 115221742 YQTGYJUMDNISEP-CYBMUJFWSA-N 309.362 2.006 0 40 DEAB COC[C@H](C)NC(=O)c1cccc(I)c1 5671557 FSMFLMHUTGCEQX-QMMMGPOBSA-N 319.142 2.056 0 40 DEAB O=C(c1ccccn1)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888850309 BMEITPPETVGMCW-CYBMUJFWSA-N 324.384 2.290 0 40 DEAB COc1ccc(CC(=O)Nc2c(C)nc3ccccn3c2=O)cc1 4376047 DFTFWVAHSJLQLW-UHFFFAOYSA-N 323.352 2.193 0 40 DEAB COc1cccc(-c2n[nH]c3c2[C@H](c2cccnc2)NC3=O)c1 4626580 AMOUYIZJBQLDMB-AWEZNQCLSA-N 306.325 2.313 0 40 DEAB CO[C@H](CNC(=O)C(=O)Nc1cc(F)ccc1F)c1ccco1 206867337 JWNDFOAKIHFDNE-CYBMUJFWSA-N 324.283 2.000 0 40 DEAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1cncc(F)c1 618256292 GAFHRGCMVIOTQX-AWEZNQCLSA-N 305.378 2.287 0 40 DEAB OC1(c2ccc(Cl)cc2)CCN(C[C@@H]2COCCO2)CC1 2298028260 BSMOSSCSBJRERV-OAHLLOKOSA-N 311.809 2.039 0 40 DEAB COc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2c(C)cccc21 71924235 GSPOCILHMWSCOX-GOSISDBHSA-N 311.337 2.416 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCC[C@@H](O)c1ccco1 77111613 HWMKODFXBGHYDP-GFCCVEGCSA-N 313.350 2.129 0 40 DEAB COC[C@@H](C)n1c(SCC(=O)O)nnc1-c1ccccc1 20591639 JALYBPZTCHCKCB-SNVBAGLBSA-N 307.375 2.329 0 40 DEAB in-vitro O=C(COc1ccc2ccccc2c1)NCc1nnc2n1CCC2 32876302 FUZUCEVBJWXVCX-UHFFFAOYSA-N 322.368 2.073 0 40 DEAB Cc1ocnc1C(=O)NC[C@H]1CCN(CCc2ccccc2)C1 103132248 WLVOGAWZZOSLOX-MRXNPFEDSA-N 313.401 2.277 0 40 DEAB COc1cccc(CNCc2ccc(N(C)C)nc2)c1OC 42227373 URQUBGNOEXOLCK-UHFFFAOYSA-N 301.390 2.455 0 40 DEAB COc1cccc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)c1 47170938 ILUFQSLSSPZWNA-UHFFFAOYSA-N 324.336 2.347 0 40 DEAB C[C@@H](NC(=O)CN1C(=O)COc2ccccc21)c1ccccc1 219655 QBMYUQVOCICIGI-CYBMUJFWSA-N 310.353 2.289 0 40 DEAB Cc1cc2ncn(CCC(=O)NC[C@H]3CCCO3)c2cc1C 412086 JGWHZVWKVJEVCT-CQSZACIVSA-N 301.390 2.338 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)Nc1ccc(C(C)=O)cc1 47320131 LHVWVALWYUHVFH-NSHDSACASA-N 305.378 2.316 0 40 DEAB COc1ccc(C(=O)NC2=NCCS2)cc1Br 569401 WDKLKMVTJSHDES-UHFFFAOYSA-N 315.192 2.290 0 40 DEAB COc1ccc([C@H]2CC(=O)Nc3nc(N)sc32)c(OC)c1 12420007 VKVWCWOYDLYKRW-SECBINFHSA-N 305.359 2.217 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)NCCc1nc2ccccc2[nH]1 78565852 RSDFKWQPMAJCDZ-UHFFFAOYSA-N 311.389 2.194 0 40 DEAB COc1cccc2c(NCCCCCO[N+](=O)[O-])cc[n+](C)c12 1572313 JTMDGNGORYPZAU-UHFFFAOYSA-O 320.369 2.463 0 40 DEAB COc1ccc(CNC(=O)Nc2c(C)n[nH]c2C)cc1OC 42998490 RITMTAYUMMYNNC-UHFFFAOYSA-N 304.350 2.365 0 40 DEAB Cc1ccc(C)c(OCCN2CCO[C@@H](Cn3cccn3)C2)c1 106193522 YQESXBMJPSDURZ-QGZVFWFLSA-N 315.417 2.280 0 40 DEAB Cc1nc(CC(=O)NCCc2nc3ccccc3[nH]2)cs1 7995572 PXXGKZXWQZGZDV-UHFFFAOYSA-N 300.387 2.229 0 40 DEAB CC(C)N(C(=O)OC(C)(C)C)[C@H]1CC[C@H](NC(=O)CN)CC1 100177861 ATIZSGOWKDTQIO-BETUJISGSA-N 313.442 2.018 0 40 DEAB COC(=O)c1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 9876365 HWKDHDWBUVOWEY-GFCCVEGCSA-N 321.446 2.101 0 40 DEAB COc1ccc(CN(C)C(=O)/C=C/c2cnn(C)c2)cc1F 44868447 FSMOPROVMPGIBS-FNORWQNLSA-N 303.337 2.240 0 40 DEAB Cc1cc(N2CCS(=O)(=O)[C@@H](C)C2)c2cc(F)ccc2n1 97378409 MKLGUBGRCYAVFL-NSHDSACASA-N 308.378 2.306 0 40 DEAB Cc1cccc(C(C)(C)CNC(=O)CN(C)c2cnccn2)c1 58304856 DFUGBLKGWFMSCA-UHFFFAOYSA-N 312.417 2.315 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)/C=C/c2cnn(C)c2)C1 58379189 YTDLXCNHLWQMEE-WLBISTCBSA-N 318.465 2.306 0 40 DEAB COc1ccccc1[C@H](C)NS(=O)(=O)N1CCC[C@H](C)C1 36397041 RLGODUQASAZRGJ-STQMWFEESA-N 312.435 2.323 0 40 DEAB COc1ccc(Cc2noc([C@@H](C)n3ccnc3)n2)cc1OC 95394454 LVNNQLKUIBUNRB-LLVKDONJSA-N 314.345 2.483 0 40 DEAB CCN(Cc1ccccc1C)C(=O)N[C@@H]1CCCCNC1=O 45668586 XLLQQPFTPWMYDU-OAHLLOKOSA-N 303.406 2.195 0 40 DEAB CCCCNS(=O)(=O)c1cc(OC)c(Cl)cc1OC 11566040 DSNUQPRRPPEETL-UHFFFAOYSA-N 307.799 2.436 0 40 DEAB Cc1cc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)no1 12863460 VSLVUMVXGNIRBK-NSHDSACASA-N 315.329 2.126 0 40 DEAB Cc1ccc2[nH]cc(C(=O)CN3CCC4(CC3)OCCO4)c2c1 59938733 ZTVDCGWHNGKXMY-UHFFFAOYSA-N 314.385 2.498 0 40 DEAB O=C(O)[C@@H]1CCCN1c1nc(C2CC2)cc(C(F)(F)F)n1 2554472 JRKYPQASRSOLIZ-VIFPVBQESA-N 301.268 2.426 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccn2)c1C 3587588 BLJYCVONMNBPNR-UHFFFAOYSA-N 300.314 2.269 0 40 DEAB CSc1ccc(NC(=O)COc2nnc3ccccn23)cc1 12929266 OVHBGLKKAXVYOJ-UHFFFAOYSA-N 314.370 2.469 0 40 DEAB Cc1ccccc1CNC(=O)CCc1c(C)nc2ncnn2c1C 12979820 MPYLFIXZACFLFK-UHFFFAOYSA-N 323.400 2.299 0 40 DEAB C[C@@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccccn1 5272292 XVSWOKMFALSUOY-GFCCVEGCSA-N 324.336 2.272 0 40 DEAB biogenic NC(=O)[C@H]1CCCN(Cc2ccccc2NC(=O)C2CCC2)C1 65585623 AYNGMIREKARFGT-HNNXBMFYSA-N 315.417 2.123 0 40 DEAB CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1 5312122 DJEXQIVEKQHMQT-UHFFFAOYSA-N 318.398 2.018 0 40 DEAB NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1 9319371 JXUAEPSSZKVZGY-UHFFFAOYSA-N 312.192 2.417 0 40 DEAB CCN(CC)CCCNc1ncnc2c1c(C)c(C)n2CCO 6660384 KAGAAEKSRCWLEA-UHFFFAOYSA-N 319.453 2.184 0 40 DEAB CCc1nnc(NC(=O)Cc2ccc3c(c2)OCCO3)s1 6790673 YRHRVGQSBOHOMR-UHFFFAOYSA-N 305.359 2.053 0 40 DEAB CC(C)n1c(=O)n(C)c(=O)c2sc3c(c21)COC(C)(C)C3 6760680 HWIWFHAVKCFXIY-UHFFFAOYSA-N 308.403 2.194 0 40 DEAB CN1C[C@@H](C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC1=O 66664628 JLCYYQZVVUGKNP-NSHDSACASA-N 320.437 2.352 0 40 DEAB Cc1cc(=O)oc2cc(OCC(=O)N[C@@H](C)C3CC3)ccc12 7951703 DHGZFRGHIBLDGM-NSHDSACASA-N 301.342 2.395 0 40 DEAB CCCc1cc(C(=O)N2CCO[C@H](CC(=O)O)C2)sc1C 91292740 CWLXQPLNCVBYIE-GFCCVEGCSA-N 311.403 2.325 0 40 DEAB CC(C)(C)n1cc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cn1 71837202 FNXINBWYJPXAMO-CQSZACIVSA-N 300.406 2.494 0 40 DEAB CCN(C(=O)CCN1C(=O)CCC1=O)c1cc(C)cc(C)c1 71868577 RAAGBBZSMXOHBV-UHFFFAOYSA-N 302.374 2.195 0 40 DEAB O=C(CN1CSCC1=O)N[C@@H]1CCCCc2ccccc21 69350768 PLUZJYLYOUPXRC-CQSZACIVSA-N 304.415 2.103 0 40 DEAB CCn1cnnc1C1CCN(C(=O)C[C@H](C)n2cccc2)CC1 69371263 WDTSAJDAIJHAPN-AWEZNQCLSA-N 315.421 2.457 0 40 DEAB CC(=O)N(C)CC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69457537 OURDHXQFWZKZLU-WCQYABFASA-N 314.307 2.156 0 40 DEAB Cc1ccc(S(=O)(=O)CCCn2c(C)csc2=O)cc1 91584459 ZRKAWAOLCBGWCA-UHFFFAOYSA-N 311.428 2.391 0 40 DEAB CC(C)NC(=O)N(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 71898351 OUVYONUVILEVIH-CYBMUJFWSA-N 309.797 2.495 0 40 DEAB CC(C)(C)c1nnc(CN2CCCC[C@@H]2Cn2cncn2)o1 71878733 UHHJXOYPYVXMOT-GFCCVEGCSA-N 304.398 2.013 0 40 DEAB C[C@H](NC(=O)Nc1ccc2c(c1)CCO2)C(=O)NC(C)(C)C 71850138 TUARVFMSXYRMPQ-JTQLQIEISA-N 305.378 2.046 0 40 DEAB COC(=O)c1cc(NC(=O)c2c(F)cc(F)cc2F)cn1C 95408066 QBUPJGFJYSSQKX-UHFFFAOYSA-N 312.247 2.481 0 40 DEAB CN(Cc1ccccn1)c1ccc(C(=O)NC2CCCC2)nn1 95412715 BZYQAYJIQUWRSV-UHFFFAOYSA-N 311.389 2.180 0 40 DEAB CN(C)S(=O)(=O)NC(c1cccs1)c1cccs1 97002437 YEXHCLJMTGLCLH-UHFFFAOYSA-N 302.446 2.295 0 40 DEAB O=C(Nc1ccc(O)cc1F)[C@H]1CCCN(C(=O)C2CC2)C1 97080053 CTSOWFACLOQUOB-NSHDSACASA-N 306.337 2.118 0 40 DEAB CCO[C@@H](C)C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 84800569 UTMDQBBLXFZTOU-NWDGAFQWSA-N 301.383 2.354 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)no1 72232026 HEHCTDQYQCMNKN-GFCCVEGCSA-N 315.329 2.127 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 17055814 QVJVNWQXZPWCIW-GFCCVEGCSA-N 324.446 2.173 0 40 DEAB COc1cc2c(cc1O)CCN(C(=O)CN1CCCCC1)[C@H]2C 4027656 DADSJLKUDGBBOX-ZDUSSCGKSA-N 318.417 2.332 0 40 DEAB biogenic O=C(NN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Cl)cc1 408657533 UMMCLDMBXDPGSF-YRRQLQLVSA-N 318.760 2.016 0 40 DEAB CCc1ccccc1NC(=O)C(=O)N(CC)C[C@H]1CCCO1 189963018 KDWVLDVSDWOAQV-CQSZACIVSA-N 304.390 2.215 0 40 DEAB CCOCCOc1ccc(S(=O)(=O)Nc2ccncc2)cc1 78554412 ONVJEWGUUHXPBG-UHFFFAOYSA-N 322.386 2.298 0 40 DEAB NC(=O)[C@H]1CCCN(Cc2cccc(CNc3ccccn3)c2)C1 78714224 HBKHEEPGOPDHEE-KRWDZBQOSA-N 324.428 2.391 0 40 DEAB C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1)S(C)(=O)=O 79040514 UJXUGOZKPUXPST-FVQBIDKESA-N 323.458 2.337 0 40 DEAB Cn1ccc(-c2cc(C(=O)N[C@@H]3CCO[C@@H](C4CC4)C3)n[nH]2)c1 553556338 JAGMMSYVZOTBNM-CZUORRHYSA-N 314.389 2.103 0 40 DEAB O=C(c1cccs1)N1CCC(c2n[nH]c3nccnc23)CC1 72393762 UJXHDMURNZBTCE-UHFFFAOYSA-N 313.386 2.434 0 40 DEAB O=C(OCc1cn2ccccc2n1)c1ccc(-n2ccnc2)nc1 186688384 AYXKNZHZYHJOAP-UHFFFAOYSA-N 319.324 2.272 0 40 DEAB O=C(c1c[nH]c(=O)[nH]1)N1CCS[C@@H](c2cccs2)CC1 219509055 RTQNZPPPRCHKIZ-LLVKDONJSA-N 309.416 2.085 0 40 DEAB CCS[C@@H]1CCCCN(C(=O)N[C@H](C)c2nncn2C)C1 78988925 SNPIAMDLMWJBDO-VXGBXAGGSA-N 311.455 2.193 0 40 DEAB CC(C)N1CCC(c2cncc(N3CCC[C@@H]3CO)n2)CC1 72365231 NLWORANIQSAUCQ-OAHLLOKOSA-N 304.438 2.026 0 40 DEAB O=C(O)c1coc(CN2CCO[C@@H](Cc3ccccc3)C2)c1 568098578 KDINZGJTPDPGRF-HNNXBMFYSA-N 301.342 2.421 0 40 DEAB COc1cc(C(=O)Nc2cc(CN(C)C)n[nH]2)cc2occc12 72258577 TYEXUALTUQYMTL-UHFFFAOYSA-N 314.345 2.478 0 40 DEAB Cc1nnc([C@H](C)N2CCn3c(nnc3-c3ccccc3)C2)o1 76183675 UUHWZZANIAQHDT-NSHDSACASA-N 310.361 2.213 0 40 DEAB CCOC[C@@H]1CCN(C(=O)Nc2cnn(CC(F)(F)F)c2)C1 81632020 NMWNRLJZQFKCOD-SNVBAGLBSA-N 320.315 2.336 0 40 DEAB Cn1c(C(F)(F)F)nn(Cc2c(F)cccc2Cl)c1=O 85470735 DFGQITYBXOHHGP-UHFFFAOYSA-N 309.650 2.441 0 40 DEAB COC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCCCCC1 225630357 HRORYNMASUCIED-UHFFFAOYSA-N 320.389 2.229 0 40 DEAB C[C@@H]1SCC[C@@H]1N[C@@H](CN1CCN(C)CC1)c1ccccc1 195573143 HMNLOTXZTWPMAH-SZMVWBNQSA-N 319.518 2.459 0 40 DEAB O=c1[nH]n(C2CCOCC2)c2c1[C@H](c1cccnc1)CC(O)=N2 95478001 MXSIMCOGHGJULT-LBPRGKRZSA-N 314.345 2.047 0 40 DEAB CCS(=O)(=O)[C@@H](C)[C@@H](O)c1ccc(Br)cc1 96519378 FJHHKLNCCAICEY-GZMMTYOYSA-N 307.209 2.306 0 40 DEAB CCN(CC)C(=O)CN1CCCN(C[C@H]2CC=CCC2)CC1 96489665 KOSJNCSMKQUULN-KRWDZBQOSA-N 307.482 2.219 0 40 DEAB Cc1nsc(N2CCN(c3nc4ccccc4o3)CC2)n1 266017771 PBBRIWXVCMTZCW-UHFFFAOYSA-N 301.375 2.314 0 40 DEAB Cc1cc(=O)c(C(=O)N2C[C@H](c3ccccc3)OC[C@H]2C)c[nH]1 95405553 SMSHGHLXUVWDNQ-CXAGYDPISA-N 312.369 2.286 0 40 DEAB CC(=O)NCc1ccc(C(=O)N2CCS[C@H](C)[C@@H]2C)cc1 96411112 RSOVPMUACKLVRT-NWDGAFQWSA-N 306.431 2.289 0 40 DEAB CCOC[C@H]1CN(C(=O)c2cc(C)[nH]c2C)Cc2ncn(C)c21 96044837 CJXBAXSFOBCVRJ-CYBMUJFWSA-N 316.405 2.141 0 40 DEAB Cc1ccc(C(=O)N2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)cn1 96042071 OHRWLWZXWSBKSL-YESZJQIVSA-N 316.401 2.189 0 40 DEAB Cn1c(CCNC(=O)c2n[nH]c3c2CCCC3)nc2ccccc21 96224330 AHWOMYVHVHQKAT-UHFFFAOYSA-N 323.400 2.148 0 40 DEAB CC(C)COC[C@@H]1CC[C@H]2[C@H](CCN2Cc2nccn2C)O1 96064592 XNJXUFVCBXKCFJ-JYJNAYRXSA-N 307.438 2.215 0 40 DEAB CC(C)Oc1cccc([C@H](O)CNC(=O)[C@H](C)n2ccnc2)c1 96408966 QVZXXIGEEFQLKM-XJKSGUPXSA-N 317.389 2.081 0 40 DEAB CO[C@H](CNC(=O)N1CCO[C@@H](C)C1)c1ccc(Cl)cc1 96440865 QTFZUPXRNRGSKT-SMDDNHRTSA-N 312.797 2.458 0 40 DEAB CC[C@@](Br)([C@@H](O)c1ccccc1)S(C)(=O)=O 96521457 JIOOKOYVHRJDGT-QWRGUYRKSA-N 307.209 2.266 0 40 DEAB CCCCOCCCNC(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 96421448 VFLZEEQVIJCYCA-GVDBMIGSSA-N 323.481 2.319 0 40 DEAB C[C@H](c1cccs1)S(=O)(=O)Cc1nnc(C2CC2)n1C 90989411 DXNYWUDRWMYCKB-SECBINFHSA-N 311.432 2.430 0 40 DEAB O=C(Nc1ncn[nH]1)c1cnn(-c2ccccc2)c1-n1cccc1 95478043 FRGMKKUVKLKVKQ-UHFFFAOYSA-N 319.328 2.033 0 40 DEAB COC(=O)[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc32)C[C@H]1C 248992033 YMVQUGMFAJDIKB-BPLDGKMQSA-N 316.401 2.167 0 40 DEAB CC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1ccccn1 247954456 SEIAKMOOYSDIQR-MRXNPFEDSA-N 318.417 2.406 0 40 DEAB CCc1ncnc(N2CCC[C@@H]2CN2C[C@H](C)O[C@@H](C)C2)c1F 253370559 SLOQPOMNVGOCFV-MELADBBJSA-N 322.428 2.256 0 40 DEAB Cc1cc(CC[C@@H]2CN(Cc3ccncc3C)CCO2)ncn1 257272383 NCFARPQGKWLPOW-GOSISDBHSA-N 312.417 2.322 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2cnccn2)C1 257342566 ZPGFVOJTNACQSH-LBPRGKRZSA-N 300.362 2.355 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H](c2nc(C)cn2C)C1 257216281 CTVVFQFKDWZMJO-LLVKDONJSA-N 319.434 2.162 0 40 DEAB CC(=O)N1CCN(C(=O)c2cccnc2)[C@@H](c2ccccc2)C1 257200843 AFCDTNYITDPXKO-QGZVFWFLSA-N 309.369 2.127 0 40 DEAB O=C(c1cnc(C2CC2)nc1)N1CCC[C@@H](c2ccncn2)C1 257321323 WBDFLHFBNJLSQN-CYBMUJFWSA-N 309.373 2.164 0 40 DEAB CC(C)(C)c1cc(=N[C@H](CO)c2ccsc2)nc(C(=O)O)[nH]1 579236094 VEDQTIKKTBCXEC-SNVBAGLBSA-N 321.402 2.101 0 40 DEAB CC(=O)N1CCC2(CC1)OCC[C@@H]2CCOc1ccccn1 585105202 QBQZTSWHZRKYJF-HNNXBMFYSA-N 304.390 2.268 0 40 DEAB OCC1CCN([C@H]2CCC[C@@H](Oc3cccc(F)c3)[C@@H]2O)CC1 585290048 QQWVPUPHMFDXRN-RCCFBDPRSA-N 323.408 2.191 0 40 DEAB O[C@]1(COc2ccc(Cl)cc2)COCCN(C2CCC2)C1 585280866 AZHYYWZVOFPJIA-INIZCTEOSA-N 311.809 2.335 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1C[C@@H]1c1ccc(F)cc1F 72281602 DZLIGCYFLRBNCF-MRVWCRGKSA-N 317.339 2.396 0 40 DEAB C[C@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1cccnc1 44868813 SECCUZYEPNVJQX-NSHDSACASA-N 304.371 2.056 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)NC3CCC(O)CC3)c12 84066716 OIGLOCZNUXQMBW-UHFFFAOYSA-N 315.373 2.442 0 40 DEAB COC(=O)CCCCCOc1ccc(OCC(=O)OC)cc1 114635735 XGSMZDJQTDEGAH-UHFFFAOYSA-N 310.346 2.351 0 40 DEAB CCOC(=O)C(CCC1=NC(C)(C)C[C@@H](C)O1)C(=O)OCC 5160914 CEFTXCTXSYAMSZ-LLVKDONJSA-N 313.394 2.495 0 40 DEAB CN(C)Cc1cc([C@H]2CCCN(C(=O)C3CCCC3)C2)nn1C 19709040 QPYMOMLWSVSSBY-HNNXBMFYSA-N 318.465 2.378 0 40 DEAB COc1c2ccoc2c(C[C@H](O)C(C)(C)O)c2oc(=O)ccc12 13311192 CRAONLIHLOSKGE-LBPRGKRZSA-N 318.325 2.222 0 40 DEAB biogenic,in-vitro C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cn(C)cn1 244947586 DNEMGGCWAZGEJQ-LLVKDONJSA-N 319.386 2.076 0 40 DEAB Cc1c(Cl)cccc1NC(=O)NCCn1ncccc1=O 23237028 FVJNGMTWZGWYSD-UHFFFAOYSA-N 306.753 2.027 0 40 DEAB Cn1ncc2c(NC[C@@H](O)c3ccc(Cl)cc3)ncnc21 30860267 PNQLSVYOYQOGOW-GFCCVEGCSA-N 303.753 2.162 0 40 DEAB COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@H]1c1ccccc1F 100548656 SPUJGWBQYLLEEL-ZDUSSCGKSA-N 322.361 2.050 0 40 DEAB COc1cccc(C(=O)COc2ccc(S(C)(=O)=O)cc2)c1 40460852 VGPBPSYLNAQECK-UHFFFAOYSA-N 320.366 2.360 0 40 DEAB CC(C)NC(=O)c1ccc2c(c1)nc1n2CCN(C(C)C)C1 20723147 GOVUIGDPMMJJIW-UHFFFAOYSA-N 300.406 2.399 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)NCCc2nnc3ccccn23)cc1 32819231 ZTVADYSAJYEIPO-CQSZACIVSA-N 324.384 2.164 0 40 DEAB CN(Cc1cccnc1)C(=O)Cc1ccc(-n2cccn2)cc1 32930856 NNBAQIWAGKLXIJ-UHFFFAOYSA-N 306.369 2.468 0 40 DEAB Cc1ccc(-c2cnn(CC(=O)Nc3ccccc3)c(=O)n2)cc1 33324571 XMSXTDDCZFXLFF-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB CCN(Cc1ccn(C)c(=O)c1)C[C@@H]1COc2ccccc2O1 42112783 DKNYAPFKBDVRRQ-OAHLLOKOSA-N 314.385 2.047 0 40 DEAB Nc1ncc(C(=O)Nc2cccc(F)c2)c(C(F)(F)F)n1 82755 QAIXBLYZSNYDJZ-UHFFFAOYSA-N 300.215 2.469 0 40 DEAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccncc1)C2O 19331083 LUJXNWXIZBATJL-UHFFFAOYSA-N 315.461 2.371 0 40 DEAB CCNC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 79101876 UUAMPYXXMIQLRI-CQSZACIVSA-N 305.422 2.206 0 40 DEAB Cc1ccc(/C=C/c2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)o1 23231898 ACENGNGXLSLTAR-QROSGCPLSA-N 306.391 2.445 0 40 DEAB O=C(NCCc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 3061083 NAXYQZJCJCBHHW-MRXNPFEDSA-N 308.381 2.398 0 40 DEAB CC(C)N(C(=O)Cn1nnc2ccccc2c1=O)c1ccccc1 3617966 OLTQASMGQISTHK-UHFFFAOYSA-N 322.368 2.233 0 40 DEAB COC(=O)c1cc(CN(C)C(=O)Cc2c(C)noc2C)oc1C 24281153 PBQSHSVNAGJGGT-UHFFFAOYSA-N 320.345 2.181 0 40 DEAB Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)sc2C)cc1 6679895 MVIMNONFJWCSPC-UHFFFAOYSA-N 310.400 2.265 0 40 DEAB C[C@@H](C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1)n1ccnc1 106135167 IRGAOAOQQCTCGN-VYDXJSESSA-N 312.417 2.396 0 40 DEAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cnsn1 55946730 QDCYMIVXZXNIFV-QWHCGFSZSA-N 307.350 2.327 0 40 DEAB COC(=O)c1cccc(C(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)n1 107338858 MMRPHEFYRUTRPN-AVGNSLFASA-N 302.374 2.424 0 40 DEAB CCN(CC)c1ccc(NC(=O)CSc2nncn2C)cc1 3225340 SFOKWCZAKQLMRW-UHFFFAOYSA-N 319.434 2.392 0 40 DEAB Cc1nc(N(C)C)sc1CCNC(=O)Cc1ccccc1O 95394502 KCNAEIJKHGVGQT-UHFFFAOYSA-N 319.430 2.125 0 40 DEAB O=C(NCCc1ccccc1F)C(=O)Nc1ccccc1F 9234969 PFWABIVYAHUENZ-UHFFFAOYSA-N 304.296 2.262 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@@H](Nc4ncccn4)CO3)C2)cc1 107226385 RDRFNLKMUOMENY-AEFFLSMTSA-N 310.401 2.322 0 40 DEAB N[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cc(F)ccc1Cl 97896631 HRHUSOXWEYQFBI-GHMZBOCLSA-N 306.790 2.027 0 40 DEAB COc1ccc(-n2ccc(C(=O)OCCc3cnccn3)n2)cc1 58177841 ZEDCKHPRHDTKBB-UHFFFAOYSA-N 324.340 2.070 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)N[C@H](C)Cn1cccn1 44969678 PIQRBNIRLURCGB-VXGBXAGGSA-N 320.368 2.480 0 40 DEAB Cc1c([C@H](C)NC(=O)NCCOc2ccccc2)cnn1C 44949526 GNWRMDMLXBORSR-LBPRGKRZSA-N 302.378 2.168 0 40 DEAB O=C(CS(=O)(=O)c1ccccc1Cl)NCc1ccco1 44946981 HBADCVPQXDCKAN-UHFFFAOYSA-N 313.762 2.023 0 40 DEAB Cc1ccc(CCC(=O)NCC(C)(C)N2CCOCC2)cc1 48252681 OJLLRNBOUYPELC-UHFFFAOYSA-N 304.434 2.155 0 40 DEAB Cc1ccc2c(c1)c1ncn(CCc3c[nH]cn3)c(=O)c1n2C 2133189 UJWYVGIUPAOLAV-UHFFFAOYSA-N 307.357 2.162 0 40 DEAB biogenic CCCc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 58413654 GACSVNMHFVFEFH-SJORKVTESA-N 302.418 2.232 0 40 DEAB COc1ccc(CNC(=O)CN[C@H](C)c2nccs2)cc1 95459210 RWUKUQJHNXSXCE-LLVKDONJSA-N 305.403 2.119 0 40 DEAB Cc1cc(C[S@](=O)Cc2noc(-c3ccccc3)n2)on1 95428085 QCPZXRYJAAINOB-OAQYLSRUSA-N 303.343 2.482 0 40 DEAB CCCc1nc(NC(=O)NCCc2nc[nH]n2)sc1CC 95418305 JIBIABZDEWTBAH-UHFFFAOYSA-N 308.411 2.140 0 40 DEAB CN1C[C@@H](C(=O)N[C@@H](c2ccccc2)c2cccs2)CC1=O 46165914 IHEHCDSLMDONKS-BBRMVZONSA-N 314.410 2.432 0 40 DEAB CCCCS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 60357910 UPRIZRWPIGNQMH-OAHLLOKOSA-N 324.446 2.011 0 40 DEAB CN(CCN1CCOCC1)C(=O)C1(Cc2ccccc2)CCC1 95411674 RFSRWWHNIJDZGW-UHFFFAOYSA-N 316.445 2.190 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)Cc1cccc(Cl)c1 47001807 VYTXUOKDFVKSHW-ABAIWWIYSA-N 308.809 2.398 0 40 DEAB O=C(Cn1nc(-c2ccco2)oc1=O)Nc1ccc(Cl)cc1 12937535 YBUUIBYYPPFYET-UHFFFAOYSA-N 319.704 2.388 0 40 DEAB CCc1cccc(C)c1NC(=O)CSc1nccc(=O)[nH]1 9143480 MLTZOHXRXJVPFZ-UHFFFAOYSA-N 303.387 2.372 0 40 DEAB CCc1ccc([C@H](O)CN2CCN(c3ccccn3)CC2)cc1 65255236 JUAOWLOHBKXMFM-GOSISDBHSA-N 311.429 2.500 0 40 DEAB CCN(CC)C(=O)[C@H](C)N(c1ccc(C)cc1)S(C)(=O)=O 4723978 ORMUMUIPUZABPK-ZDUSSCGKSA-N 312.435 2.018 0 40 DEAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N(CCO)C1CC1 88620003 UROADLMYHSOCIQ-KSSFIOAISA-N 300.402 2.057 0 40 DEAB C[C@@](NC(=O)c1ccncc1F)(C(N)=O)c1cccc(Cl)c1 89905198 WSIUKYCMZKCEFX-HNNXBMFYSA-N 321.739 2.005 0 40 DEAB Cc1ccoc1C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 9479443 LOBJCOVLHAUMON-UHFFFAOYSA-N 312.247 2.374 0 40 DEAB Cc1nc(CN(C)c2ccnc(N(C)C)n2)nc2ccccc12 95960964 HUHVRBVQTJUSIC-UHFFFAOYSA-N 308.389 2.431 0 40 DEAB CCNC(=O)N1CC[C@H](N[C@H](C)c2sc(CC)nc2C)C1 90409918 GQYDGXYFEXMGRJ-PWSUYJOCSA-N 310.467 2.468 0 40 DEAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc[nH]c2)CC1 68278556 RRQCQQQYFYSVQP-UHFFFAOYSA-N 311.385 2.358 0 40 DEAB CNC(=O)c1cccnc1NCc1ccc(Cn2ccnc2)cc1 80948918 OJPIQHZKTPAGMS-UHFFFAOYSA-N 321.384 2.298 0 40 DEAB C[C@H]1CCc2c(sc3ncnc(N(C)CC(=O)N(C)C)c23)C1 7981583 MCHJDOHHZJBKFM-JTQLQIEISA-N 318.446 2.341 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)c1 70003761 YRUUCMVURFWBAO-AWEZNQCLSA-N 309.373 2.373 0 40 DEAB Cc1cnn(C[C@H](C)NCCC(=O)N[C@H](C)c2ccccc2)c1 69571059 CVTANKVYRINNGA-JKSUJKDBSA-N 314.433 2.437 0 40 DEAB CCCCc1nc(CN2CCCC[C@H]2Cn2cncn2)no1 71876415 SNDMKKPWIRRXJD-ZDUSSCGKSA-N 304.398 2.058 0 40 DEAB CN(C)S(=O)(=O)N[C@H]1CCCc2cc(OC(F)F)ccc21 69650938 ANOCZFPIYDQUIQ-LBPRGKRZSA-N 320.361 2.061 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1C[C@@H]1c1ccccc1 69895440 PSZNBBRXHNLRIW-INMHGKMJSA-N 306.365 2.233 0 40 DEAB Cc1ccn(C)c(=O)c1NS(=O)(=O)C1CCC(C)(C)CC1 95994683 UNCMMQSCCONBSH-UHFFFAOYSA-N 312.435 2.404 0 40 DEAB CC1CCC(=CC(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)CC1 95998132 KXGUSVVDJIRRDB-UHFFFAOYSA-N 318.421 2.025 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc21 8937484 YGCHURCLULCQEE-UHFFFAOYSA-N 323.395 2.286 0 40 DEAB COC(=O)c1ccc(CN2C[C@@H](N)[C@H](c3ccc(F)cc3)C2)o1 97096742 QNYOISGPQFJVAS-LSDHHAIUSA-N 318.348 2.132 0 40 DEAB CSCCc1ccc(NC(=O)N[C@H](C)Cn2cncn2)cc1 72281308 WXUALWJUCRKALP-GFCCVEGCSA-N 319.434 2.394 0 40 DEAB CC(C)C[C@H](CN(C)C)NS(=O)(=O)CCc1ccccc1 97166160 PDEBDWHHPXEDRO-MRXNPFEDSA-N 312.479 2.125 0 40 DEAB CCCn1ccc2ccc(NC(=O)N[C@H]3CCN(C)C3=O)cc21 76070760 MPHYGLUYFZAUGX-AWEZNQCLSA-N 314.389 2.404 0 40 DEAB Cc1cccc([C@@H](C)CNC(=O)NC[C@]2(O)CCSC2)c1 89669095 PGFDLEAFJMKKRY-XJKSGUPXSA-N 308.447 2.266 0 40 DEAB Cc1cccnc1[C@H](NCC(=O)N1C[C@H](C)O[C@@H](C)C1)C(C)C 110621084 APALGGGJXPQKDZ-YQQAZPJKSA-N 319.449 2.313 0 40 DEAB O=C(NC[C@@]12CCC[C@@H]1OCC2)c1csc(NC2CC2)n1 1551034954 FMHRUQVQZMWPAL-WFASDCNBSA-N 307.419 2.406 0 40 DEAB CS(=O)(=O)N(CCCC(=O)NC1CCCC1)c1ccccc1 408627454 MPNFMGUKQISERF-UHFFFAOYSA-N 324.446 2.292 0 40 DEAB CCOc1ccc(NC(=O)NC[C@@H](C)O)cc1Br 189500896 UJCKMXWIBVELFP-MRVPVSSYSA-N 317.183 2.350 0 40 DEAB Cc1nn(-c2ccc(O)nn2)c2c1[C@@H](c1ccncc1)CC(O)=N2 31818941 COEPRHABCUNKAH-LLVKDONJSA-N 322.328 2.195 0 40 DEAB CCS(=O)(=O)NCCc1c(C)[nH]c2c(F)cc(F)cc12 32648507 ASODCMLSUYLIFZ-UHFFFAOYSA-N 302.346 2.236 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1Nc1ccc2nnnn2n1 36391586 WGFSSQXWMAWMDG-UHFFFAOYSA-N 306.333 2.065 0 40 DEAB O=C(O)Cn1cc([C@@H](C(=O)O)N2CCCCC2)c2ccccc21 36365886 LMBLOVKRZCCRKT-INIZCTEOSA-N 316.357 2.338 0 40 DEAB Cc1cc(C(=O)Nc2ncc(Br)s2)nn1C 27970974 QJTMFSLCCBPRBF-UHFFFAOYSA-N 301.169 2.200 0 40 DEAB CCOc1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1 79439015 PHOMXTFGFGXRHK-UHFFFAOYSA-N 322.409 2.369 0 40 DEAB CCN(C(=O)OCc1ccccc1)C1CCN(CCN)CC1 79411586 LLLLBJZPJLQWRZ-UHFFFAOYSA-N 305.422 2.068 0 40 DEAB Cc1csc(C(=O)N2CCCO2)c1I 189489468 DWBJUEAWQFNTFL-UHFFFAOYSA-N 323.155 2.439 0 40 DEAB Cc1cc(C(=O)N2CCCS2(=O)=O)cc(C)c1OC(F)F 78665046 SIWOCFZJVARPOY-UHFFFAOYSA-N 319.329 2.081 0 40 DEAB C[C@H](c1cccc(Br)c1)S(=O)(=O)CCCO 134532666 FKVUVJNNIUMKPI-SECBINFHSA-N 307.209 2.307 0 40 DEAB C[C@@H](c1cccnc1)N1CCN(C(=O)CC[C@@H]2CCCO2)CC1 79353323 ZWWHGPCRYXYJOJ-RDJZCZTQSA-N 317.433 2.246 0 40 DEAB CC[C@H](C)[C@H](CO)NC(=O)c1sc(-n2cccc2)nc1C 575443352 VGYZCEXOEPYVEU-JQWIXIFHSA-N 307.419 2.379 0 40 DEAB CC(C)CC[C@@H](C)NC(=O)N1CCS(=O)(=O)C(C)(C)C1 192609761 RTGURQHTWUZYJO-GFCCVEGCSA-N 304.456 2.030 0 40 DEAB Nc1nccnc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 81287367 XCCPJUWHSVUYLX-GFCCVEGCSA-N 314.414 2.313 0 40 DEAB Cc1nnc(NC(=O)c2cccnc2O[C@@H]2CCSC2)s1 225727408 LRQPMXLQIBAOMK-SECBINFHSA-N 322.415 2.378 0 40 DEAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NC1CCOCC1 225438310 ODKHCCOERULMIU-NSHDSACASA-N 316.357 2.304 0 40 DEAB biogenic,in-vitro CCC[C@@H](C)N1C[C@@H](C(=O)NCc2ccc(F)cc2)CC1=O 40156604 ZRFGWARZDYKLNW-OCCSQVGLSA-N 306.381 2.479 0 40 DEAB O=C(C[C@@H]1COCCN1CCN1CCCCC1)c1ccccc1 134195302 CPDOONAQKWHGNU-GOSISDBHSA-N 316.445 2.446 0 40 DEAB CC(C)n1c(N)nnc1S[C@H](C)C(=O)N1CCCCCC1 62801215 HHENDWLOFADNOB-LLVKDONJSA-N 311.455 2.324 0 40 DEAB COc1ccc(C(=O)N2CCc3ccc(F)cc3[C@@H]2C)nn1 95399284 RVVRGGTWMWUOOK-JTQLQIEISA-N 301.321 2.384 0 40 DEAB O=C(NCCO[C@H]1CCCCO1)Nc1ccsc1C(=O)O 95913036 WFEBOBZHCYLTEZ-JTQLQIEISA-N 314.363 2.111 0 40 DEAB O=C1C[C@H](c2ccncc2)C2(CCN(Cc3ccncc3)CC2)N1 96087452 NQAOKVTUIZAPPF-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB O=C(NC1CCC1)C1CCN(C2CCN(CC3CC3)CC2)CC1 96260825 LKANLVBPHRWCEY-UHFFFAOYSA-N 319.493 2.242 0 40 DEAB COC(=O)c1sccc1Cn1nnc(-c2cccs2)n1 96465901 UOIOFXQOPHBSSI-UHFFFAOYSA-N 306.372 2.298 0 40 DEAB CCn1c(CN[C@@H]2CCc3nnc(C)n3C2)nc2ccccc21 97199404 SFLFDBCUXMLMLM-CYBMUJFWSA-N 310.405 2.061 0 40 DEAB COc1ccccc1O[C@H](C)CNC(=O)c1n[nH]c2c1CCC2 96431658 JTGPNALBLHWNRK-LLVKDONJSA-N 315.373 2.104 0 40 DEAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3nncs3)C2)cc1 96192756 RFDPOGDWVFYHDW-AWEZNQCLSA-N 318.358 2.069 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](N)[C@H]2c2cccc(F)c2)cc1 242574947 NLISCQDDKOTVIM-PMPSAXMXSA-N 305.374 2.401 0 40 DEAB Cc1cc(C(=O)N2C[C@H]3OC[C@@H](CN(C)C)[C@H]3C2)sc1C 248023535 RWRNGQOTCQDZPY-MGPQQGTHSA-N 308.447 2.014 0 40 DEAB C[C@@H](NC(=O)CNc1ccc(Cl)c(C(N)=O)c1)c1ccco1 25700678 NVVGWHTVWHRNDR-SECBINFHSA-N 321.764 2.321 0 40 DEAB Cc1nc([C@H]2CCCCN2C(=O)CN(C)C)c2sccn12 257322444 WGAGYSVWRDUQMC-GFCCVEGCSA-N 306.435 2.319 0 40 DEAB CC[C@H]1CC[C@H](C(=O)NS(=O)(=O)CC(F)(F)F)CC1 252587035 VGTNJWZUGNNIAQ-KYZUINATSA-N 301.330 2.211 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC(Cc3ccncc3)CC2)n1 257218512 DDKDBVYZLKWSBT-UHFFFAOYSA-N 312.417 2.376 0 40 DEAB CO[C@@H]1CCCOC12CCN(C(=O)c1cccnc1C)CC2 257314326 UWKRQEVWYWUPEG-OAHLLOKOSA-N 304.390 2.190 0 40 DEAB CO[C@H]1CCN(C(=O)CCOc2ccccc2)C[C@@]12CCCO2 257226036 FIWFUZIMJXHIPN-WMZOPIPTSA-N 319.401 2.252 0 40 DEAB Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)C2CCOCC2)n1 257272581 NCYGNFBIBDXMSU-QGZVFWFLSA-N 303.406 2.358 0 40 DEAB C[C@@H]1OCC[C@@H]1N(CCO)Cc1ccccc1Br 390834013 QHSWUJAUKXLVKG-FZMZJTMJSA-N 314.223 2.421 0 40 DEAB Cc1cc(N2CCC[C@@](O)(COc3ccc(F)cc3)C2)ncn1 585274942 SAJLAPSLPTVEON-KRWDZBQOSA-N 317.364 2.334 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(Cc2cc[nH]n2)C1 585274347 JGPVZWCIRFBGHI-INIZCTEOSA-N 305.353 2.219 0 40 DEAB NC(=O)Cc1cccc(OCc2noc(-c3ccsc3)n2)c1 67099332 MZWLUYOAYVYMJS-UHFFFAOYSA-N 315.354 2.405 0 40 DEAB CCn1c([C@@H]2CCCN(C(=O)[C@@H](C)SC)C2)n[nH]c1=S 69485281 HYSSMGOFWLQMJC-NXEZZACHSA-N 314.480 2.418 0 40 DEAB O=C(O)[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(Cl)c(Cl)c2)N1 5818888 HQUDGNCRBVPFLW-GHMZBOCLSA-N 312.156 2.405 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@@H]2C)cc1 5693467 PSLJIMUYKCWVCQ-PKFCDNJMSA-N 304.346 2.171 0 40 DEAB CS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1 11611111 GQMGSHPVECPGMV-UHFFFAOYSA-N 322.361 2.127 0 40 DEAB COc1ccccc1-c1noc(CSc2nncn2C)n1 13128360 KQBZVFHYXDRZBW-UHFFFAOYSA-N 303.347 2.166 0 40 DEAB Cc1cccc(OCC(=O)NC[C@@H](c2ccco2)N(C)C)c1 15831460 JGTWEXNWMHBGML-HNNXBMFYSA-N 302.374 2.386 0 40 DEAB COc1ccc(CNC(=O)c2cnc(C)nc2C)cc1OC 19937157 LEWUJBOILPPIBI-UHFFFAOYSA-N 301.346 2.041 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@@H]1CC(=O)Nc2ccccc21 24992188 FEXQWEAPRYLZRH-DOMZBBRYSA-N 324.384 2.040 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)Sc1ccc(C(F)(F)F)cn1 21637179 RDMNLVGFRSGULA-ZCFIWIBFSA-N 307.297 2.037 0 40 DEAB O=C([C@@H]1CCOC1)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238920922 TVYDTJNYRUQWHF-WDEREUQCSA-N 319.386 2.151 0 40 DEAB O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1Cc1ccccc1 1565552534 YWFNXXPEELCLPH-ROUUACIJSA-N 307.397 2.457 0 40 DEAB 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316.342 2.446 0 40 DEAB CS(=O)(=O)NCCSc1ncc(-c2ccc(F)cc2)o1 78552862 CZKSPDWQJCATEA-UHFFFAOYSA-N 316.379 2.122 0 40 DEAB CS(=O)(=O)Oc1ccc(Br)c2cccnc12 1702835 GJQIOPDYFYIBRW-UHFFFAOYSA-N 302.149 2.336 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 42513253 KIEOGQJFTQMSGO-QMTHXVAHSA-N 305.765 2.045 0 40 DEAB COc1cccc(OC)c1OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1 6008109 APTCTONTNWIXCI-SOUVJXGZSA-N 323.433 2.421 0 40 DEAB CCN1CCC[C@H]1CNS(=O)(=O)c1c(C)cc(C)cc1C 6652543 YKRAABAPDCGJQT-HNNXBMFYSA-N 310.463 2.374 0 40 DEAB CCOC(=O)Cc1cc(O)n(-c2nc3ccccc3s2)n1 100288446 XKESSWLTFDFZBK-UHFFFAOYSA-N 303.343 2.293 0 40 DEAB Cc1ccc(C(=O)COC(=O)c2nc3nccc(C)n3n2)c(C)c1 8388809 IXIUDQRBKNWDHO-UHFFFAOYSA-N 324.340 2.089 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N(C)Cc3nccn3C)cc2)n1 12531807 JTGCKNBFWWAPHD-UHFFFAOYSA-N 323.400 2.495 0 40 DEAB CN1CC[C@@H](C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1=O 55545522 ZADAYKSSBPRNRY-MRVPVSSYSA-N 316.279 2.234 0 40 DEAB COc1ccccc1OCC(=O)OCC(=O)NC1CCCCC1 3244378 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324.340 2.264 0 40 DEAB C[C@@H]([C@@H](C)NCCCS(=O)(=O)c1ccccc1)n1cccn1 69951290 VFUHPACGHFQOEK-CABCVRRESA-N 321.446 2.286 0 40 DEAB OC[C@@H]1CCCN1Cc1ccccc1CNc1ncc(F)cn1 97081350 ARJOVEIWMSQNIV-INIZCTEOSA-N 316.380 2.185 0 40 DEAB C[C@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C1CCC1 97096546 RXRBCASRWZBRBW-AWEZNQCLSA-N 302.422 2.097 0 40 DEAB C[C@@H]1C(=O)NCCN1C(=O)NCc1cc2cc(F)ccc2s1 72270148 OWJWDJGCGGQUPC-SECBINFHSA-N 321.377 2.070 0 40 DEAB CC(C)n1cc(S(=O)(=O)N2CCCc3cccc(O)c32)cn1 95980521 VADBUHJMJJGLCD-UHFFFAOYSA-N 321.402 2.311 0 40 DEAB CC(C)CN(C(=O)CCS(=O)(=O)C1CCCC1)C1CC1 97367121 WXQSQTQBBBNRJC-UHFFFAOYSA-N 301.452 2.381 0 40 DEAB COc1ccc2c(c1)C[C@@H](NCCOC[C@H]1CCCO1)CC2 95973578 ZIODFZMKTBWMGZ-FUHWJXTLSA-N 305.418 2.338 0 40 DEAB CCNC(=O)N1CC[C@H](NC(=O)N2C[C@H](C)c3ccccc32)C1 89977432 AGYXUZXZRQDYGH-STQMWFEESA-N 316.405 2.124 0 40 DEAB CCOC(=O)CCN(Cc1ccccc1)[C@@H](C)C(=O)OCC 22058747 HLAPXDOWOOBGGE-AWEZNQCLSA-N 307.390 2.393 0 40 DEAB in-vitro COC(=O)[C@@H]1CN(C(=O)Cc2ccccc2)c2ccccc2O1 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324.327 2.301 0 40 DEAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCC(=O)NCc1ccccn1 103139013 IYLTVKSYFBUDOC-IJEWVQPXSA-N 317.433 2.419 0 40 DEAB CCCN1C(=O)[C@](O)(CC(=O)c2ccccn2)c2ccccc21 565355 FSVKJWQUFFVNNY-SFHVURJKSA-N 310.353 2.299 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2ccccn2)[C@@H]1c1cccc(F)c1 61720989 JKXUWGYKVZVOIT-CJNGLKHVSA-N 313.332 2.379 0 40 DEAB O=C(NCCNc1cnc2ccccc2n1)c1ccc(O)cc1 54060213 XVQOVXSXTZDHDY-UHFFFAOYSA-N 308.341 2.177 0 40 DEAB CC(C)C(=O)NC1CCN(C(=O)CO[C@H]2CCCC[C@@H]2C)CC1 79039191 WEUFUMWAINUYHS-HOCLYGCPSA-N 324.465 2.345 0 40 DEAB Cn1ncc(Cl)c1-c1nnc2sc(-c3ccncc3)nn12 79490374 PKNHTOMTTGWRMO-UHFFFAOYSA-N 317.765 2.302 0 40 DEAB CC(C)(C)OC(=O)NC1CN([C@H](C(=O)O)c2ccsc2)C1 2527356 XKMRRKNPQAVIDF-NSHDSACASA-N 312.391 2.083 0 40 DEAB Cc1cc(C)n(Cc2nnc(Nc3cn(C)nc3C)s2)n1 2797018 QJULMPSVNKHFJW-UHFFFAOYSA-N 303.395 2.185 0 40 DEAB CCn1nc(C(=O)N2CCC3(CCCCC3)CC2)ccc1=O 95394712 WQOWCQXXIQIGAJ-UHFFFAOYSA-N 303.406 2.450 0 40 DEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2cccc(Cl)c2)s1 105740101 TZYSTGDUJYRJAA-WNEGCBGQSA-N 321.829 2.314 0 40 DEAB CSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccccc1F 4944516 GBRHBBIDGMILHY-VIFPVBQESA-N 319.361 2.115 0 40 DEAB Cc1cccc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)n1 6968567 SMXLEFVSHLSTGC-KPKJPENVSA-N 320.370 2.378 0 40 DEAB C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCCCCC1 25408245 ACYVSMQHZMQFBA-CYBMUJFWSA-N 324.446 2.293 0 40 DEAB O=C1CCCN1[C@@H]1CN(CCc2ccccc2)[C@@H]2CCCO[C@@H]21 107204027 DUNOEMKAVNRYCY-LMMKCTJWSA-N 314.429 2.083 0 40 DEAB C[C@@H](C(=O)NCc1ccc(OC(F)(F)F)cc1)n1cncn1 27585208 YYSIIMBCCFRANG-VIFPVBQESA-N 314.267 2.054 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)NC[C@@H]1CCOC1 48265568 QBWTXCULRBCREB-LBPRGKRZSA-N 319.430 2.052 0 40 DEAB O=C(Nc1cccnc1)N1CCN(Cc2cccs2)CC1 44889877 QTSDXZJMAHETNH-UHFFFAOYSA-N 302.403 2.493 0 40 DEAB O=C(CCc1cccs1)NCCC(=O)Nc1ccccn1 44936528 BTMYNIFGXFJLQM-UHFFFAOYSA-N 303.387 2.221 0 40 DEAB Cc1cc(CN(C)C(=O)c2cccnc2N2CCCC2)no1 44916705 NDGWHAQOYJRKQH-UHFFFAOYSA-N 300.362 2.250 0 40 DEAB 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40 DEAB O=S(=O)(Cc1ccccc1)NCCOc1ccccc1F 9112291 KMPSWJOXFATYMW-UHFFFAOYSA-N 309.362 2.324 0 40 DEAB CC(C)C[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)O 5451712 WJDVUNRYIZBUMW-LBPRGKRZSA-N 316.361 2.065 0 40 DEAB COc1cc(C(=O)Nc2nccc(C)n2)cc(OC)c1OC 6504887 HWFYMFHVEICVHD-UHFFFAOYSA-N 303.318 2.063 0 40 DEAB O=S(=O)(NCC1CCCCC1)c1ccc2c(c1)OCCO2 6627639 QKOCAIMZVKCCSV-UHFFFAOYSA-N 311.403 2.316 0 40 DEAB C[C@@H](NC(=O)c1cnc2ccccn2c1=O)c1ccc(F)cc1 14898593 RLQZQOHTOQUBDL-LLVKDONJSA-N 311.316 2.325 0 40 DEAB COC[C@@H](O)CNC(=O)N[C@H](c1ccccc1C)C(C)(C)C 80201787 YANVJUFDNUHPLC-DZGCQCFKSA-N 308.422 2.389 0 40 DEAB CCCn1c(S[C@H](C)C(=O)N(C(C)C)C(C)C)n[nH]c1=O 7364990 QXTREHUBSLWCCU-LLVKDONJSA-N 314.455 2.107 0 40 DEAB COc1ccc(C(=O)OCC(=O)N2[C@H](C)CCC[C@H]2C)c(O)c1 7396916 JEQBRLDAASLWTL-VXGBXAGGSA-N 321.373 2.347 0 40 DEAB CCNC(=O)N1CC[C@@H](N[C@H](C)c2ccc(OC)c(F)c2)C1 90412186 QFXDLKAFJFWKMR-DGCLKSJQSA-N 309.385 2.289 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)OC(=O)c1cccs1 7550278 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95990685 GNJNCBRNHMNWOO-ULKWEWGCSA-N 317.393 2.166 0 40 DEAB CC(C)(C)c1ccc(C[C@@H]2SC[C@@H](C(=O)O)NC2=O)cc1 62712301 JTJPKLNWYNHNRI-STQMWFEESA-N 307.415 2.211 0 40 DEAB CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H]1CC=CCC1 521394037 VMVVTAMBYRVFPQ-HUUCEWRRSA-N 302.374 2.028 0 40 DEAB COc1cccc(C(=O)NCC2CCN(CC(F)F)CC2)c1 521394301 IETDQMVXNCVSKS-UHFFFAOYSA-N 312.360 2.402 0 40 DEAB O=C(CSc1nnc(-c2ccccn2)o1)Nc1nccs1 33595387 MXXLYSGECCQBIZ-UHFFFAOYSA-N 319.371 2.319 0 40 DEAB COC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1C 74966104 ZYZBJNMIHFMDRE-UHFFFAOYSA-N 311.403 2.202 0 40 DEAB O=C(OCc1ccccc1)N1CC[C@@H](CN(CCO)C2CC2)C1 79391740 IZQTWAMKAINWEL-INIZCTEOSA-N 318.417 2.102 0 40 DEAB O=C(c1cccs1)N1CCC[C@H](c2n[nH]c3nccnc23)C1 72393858 PLZMGPZLQBUPCT-JTQLQIEISA-N 313.386 2.434 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1cccc(SC)c1 32978807 OAZGFRFYEFXOGR-NSHDSACASA-N 313.448 2.137 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NC[C@H](C)O)cc1 186212218 WNOOPIIJSASNCD-IMJJTQAJSA-N 311.447 2.050 0 40 DEAB CC(=O)N1CCN(c2ccc([C@@H](N)c3ccccc3)c(C)n2)CC1 72224787 FBDOULYTEWWLEW-IBGZPJMESA-N 324.428 2.107 0 40 DEAB Cc1ccsc1[C@@H](O)CNC(=O)COc1ccccc1F 75155225 HYNLUJCIJVDDLT-LBPRGKRZSA-N 309.362 2.424 0 40 DEAB C[C@H](NC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccn1 43869430 FUSZARJGHSDXSV-NSHDSACASA-N 319.386 2.368 0 40 DEAB Cc1occc(=O)c1OCC(=O)NCc1ccccc1Cl 40287701 GWRUUKSZMGMPBF-UHFFFAOYSA-N 307.733 2.297 0 40 DEAB Cc1cccc(CNC(=O)N[C@H]2CCOC2)c1Br 225536811 RFJLNWGQQHFFSL-NSHDSACASA-N 313.195 2.346 0 40 DEAB CC(C)NC(=O)C1CCN(C(=O)c2cc(C(C)C)on2)CC1 223208877 JXCRJTWWSHIZQT-UHFFFAOYSA-N 307.394 2.175 0 40 DEAB Cc1cc2cc(C(=O)N[C@H](C)CS(C)(=O)=O)oc2cc1C 80283058 QCTXVSICRRDRJP-LLVKDONJSA-N 309.387 2.213 0 40 DEAB CC1=C(C(=O)O)[C@@H](c2ccc(Br)cc2)NC(=O)N1 44563718 PAFAARNMSRYHJT-SNVBAGLBSA-N 311.135 2.162 0 40 DEAB CC(C)Nc1ccnc([C@H]2COCCN2CC2CCOCC2)n1 96220519 HXYZHLLIGXYLNW-OAHLLOKOSA-N 320.437 2.097 0 40 DEAB CCC[C@@H]1SCCN1C(=O)c1nc2nc(C)cc(C)n2n1 96411652 GDPYFYMNOUFIIM-NSHDSACASA-N 305.407 2.056 0 40 DEAB Cn1cc(CN2CCC3(CC2)C[C@@H](c2cccnc2)CO3)cn1 96047775 QTCNDROZUHLWOC-QGZVFWFLSA-N 312.417 2.354 0 40 DEAB Fc1ccc(/C=C/CN2CCN(C[C@@H]3CCOC3)CC2)cc1 93817819 INTUOHAYBWDOOS-IMLGJKEDSA-N 304.409 2.493 0 40 DEAB O=C(Cc1cccnc1)N[C@H]1CCCN(C(=O)c2ccccc2)C1 96410074 LPNAMNZKHDYORX-KRWDZBQOSA-N 323.396 2.045 0 40 DEAB CCN1CCOC[C@]2(CCCN(C(=O)c3cccs3)C2)C1 96228880 WOHAEXZFLLQRCD-MRXNPFEDSA-N 308.447 2.323 0 40 DEAB O=C(O)c1nc(I)c(Cl)cc1F 95611713 LLKLYYPTTLSJJF-UHFFFAOYSA-N 301.442 2.177 0 40 DEAB CC(=O)N1CCO[C@@H]2CN(Cc3ccccc3Cl)C[C@@H]2C1 96108064 WYVNWEVDDLDMKJ-GDBMZVCRSA-N 308.809 2.019 0 40 DEAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1cccnc1)C2 96198018 FPMIDTLBMVIBRN-QGZVFWFLSA-N 312.417 2.341 0 40 DEAB COc1ccccc1CN1CC[C@@]2(C[C@H](N(C)C)CCO2)C1 96207942 UTOFNHYDBQAOJS-SJLPKXTDSA-N 304.434 2.380 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 257202235 ALACMGILTHGNEB-GFCCVEGCSA-N 317.393 2.173 0 40 DEAB NC(=O)c1nn(CC(F)F)cc1NCc1ccc(F)s1 256049883 BWRIFTGQKIILST-UHFFFAOYSA-N 304.297 2.060 0 40 DEAB CC(=O)N1CCN(C(=O)c2cc(C)on2)[C@@H](c2ccccc2)C1 257285826 PJAOVGZUPCDGDH-MRXNPFEDSA-N 313.357 2.029 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)c2ccc(F)cc2)cc1F 26077708 GWKLAIXQTZJMAK-UHFFFAOYSA-N 318.323 2.433 0 40 DEAB Cc1c[nH]c([C@H]2CCN(S(=O)(=O)c3ccccc3C)C2)n1 257293325 QOZZPVOWEVWFMQ-ZDUSSCGKSA-N 305.403 2.205 0 40 DEAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H](c2cnccn2)C1 257335740 YLPRCXDKEVHSPM-LBPRGKRZSA-N 307.357 2.373 0 40 DEAB Cc1cc(NC(=O)N2CCN(c3ncccc3F)CC2)ccn1 271080341 QQHJSYNNQHFGSU-UHFFFAOYSA-N 315.352 2.278 0 40 DEAB Cc1nc2ccccc2nc1S[C@@H](C(=O)NC(N)=O)C(C)C 29282311 OIUXGJKQTISLLV-GFCCVEGCSA-N 318.402 2.250 0 40 DEAB CC1(C)CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)C1 74168141 HMQDKUVHRBZFLA-UHFFFAOYSA-N 321.396 2.387 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)n1cccn1)CC2 40496974 XHBZHJKYYWXPPA-GFCCVEGCSA-N 315.373 2.046 0 40 DEAB CCOc1ccc(C(=O)NCCCN2CCCC2)cc1OC 61547872 PAOXPDGYZJBQOG-UHFFFAOYSA-N 306.406 2.310 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCO[C@@H]2CCCC[C@@H]21 79314372 ZOEOICXHOBEAER-JKSUJKDBSA-N 312.369 2.312 0 40 DEAB Cc1ccc(C[C@@H](NC(=O)Cn2cncn2)c2ccccn2)cc1 79360552 ILGRBGDJIOUDRO-QGZVFWFLSA-N 321.384 2.082 0 40 DEAB O=C(NCc1ccc(Cl)nc1)N[C@H]1c2ccccc2C[C@H]1O 79596651 WZELGBFWEQRHFF-HIFRSBDPSA-N 317.776 2.193 0 40 DEAB Nc1c(Br)ccc(I)c1N 98210880 LROZMKJICPCSGT-UHFFFAOYSA-N 312.936 2.218 0 40 DEAB CC[C@@H](C)NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O 12892971 JIVOQGRASFUYOC-SNVBAGLBSA-N 321.373 2.430 0 40 DEAB biogenic CCc1nnsc1C(=O)N1CCN(C)C[C@H]1c1ccccc1 19521874 NALVHZRZVVMSAM-AWEZNQCLSA-N 316.430 2.229 0 40 DEAB Cc1cccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1 19946428 DRMDOCJGFIIJEV-UHFFFAOYSA-N 318.398 2.400 0 40 DEAB O=C(NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)C1CCCC1 575616853 NONJIPAGAISYOT-SNVBAGLBSA-N 316.327 2.209 0 40 DEAB Cc1cncnc1N1CCN(Cc2ccc(F)cc2F)CC1 1848854032 XNQBCJBGZBPGMV-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB CC(C)(C)C(=O)Nc1nnc(Cc2ccc3c(c2)OCO3)o1 9701928 IHSVTDQJDAUPJC-UHFFFAOYSA-N 303.318 2.374 0 40 DEAB O[C@@H](CNc1ncnc2ncccc12)c1ccc2c(c1)CCO2 1775971758 UMGLSXMNNSHLCC-AWEZNQCLSA-N 308.341 2.105 0 40 DEAB C[C@@H](NC(=O)c1c(O)c2sccc2[nH]c1=O)c1ccncc1 49409583 FLSMVDDLUYXAMY-MRVPVSSYSA-N 315.354 2.181 0 40 DEAB COc1ccc(CC(=O)N2CC[C@H](OCC3CC3)C2)cc1OC 390831726 UJUJSWVDQILKCF-HNNXBMFYSA-N 319.401 2.274 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2ccc(CC)cc2)C1 40160901 LBGXSKGXBWTFAD-OAHLLOKOSA-N 319.401 2.430 0 40 DEAB CC(=O)c1ccc(OCc2ccc(S(=O)(=O)N(C)C)o2)cc1 40538630 RUGSIXUWBVUMHR-UHFFFAOYSA-N 323.370 2.312 0 40 DEAB CC[C@H](C)NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C 40510324 HTJHQMDCTPRCCA-JTQLQIEISA-N 318.421 2.441 0 40 DEAB COCCNC(=O)c1nnn(-c2ccc(C)cc2)c1C(C)C 40549669 OAQISNGGJXSFNH-UHFFFAOYSA-N 302.378 2.075 0 40 DEAB Cc1ccc2ncn(C[C@@H](O)COCc3ccccc3)c(=O)c2c1 51373993 VAJBCMTWSHLADF-MRXNPFEDSA-N 324.380 2.283 0 40 DEAB CCN(CC(=O)N(C)C)Cc1cc(Cl)c2c(c1)OCCO2 51790941 YNUCAZXPUIWRIL-UHFFFAOYSA-N 312.797 2.021 0 40 DEAB CCN(CC)C(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 102171755 DMWOEZFZNCQUFM-UHFFFAOYSA-N 305.403 2.187 0 40 DEAB Cn1c(S)nc2cc(C(=O)Nc3ccccc3)ccc2c1=O 102333502 LMJKOWPXSMZBJI-UHFFFAOYSA-N 311.366 2.475 0 40 DEAB Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)oc2ccc(Cl)cc12 41127787 XTYQUAYTCJFHHJ-VIFPVBQESA-N 306.749 2.342 0 40 DEAB CCCSCC(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 52748986 DIQGZIBTTYABDK-UHFFFAOYSA-N 317.414 2.424 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O 552005 DVUWWQQKSGUFCB-QGZVFWFLSA-N 322.364 2.367 0 40 DEAB C[C@@H](OC(=O)c1c(-n2cccc2)sc2c1CCCC2)C(N)=O 22218633 WKRFXXKILJRHHM-SNVBAGLBSA-N 318.398 2.448 0 40 DEAB CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](C)c2cccs2)C1 104257091 ZFGNLQHITOEFBO-OLZOCXBDSA-N 324.446 2.200 0 40 DEAB COc1ccc(-c2cc(CSc3nnnn3C)on2)cc1 9058103 IUEWSTSTIWTFJX-UHFFFAOYSA-N 303.347 2.166 0 40 DEAB CCN1CC[C@H](N(C)c2ncc(Br)cn2)[C@H](C)C1 78332784 XACZYYVGJUCUPY-PWSUYJOCSA-N 313.243 2.406 0 40 DEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccoc1 23055285 UGNGGXNJOWKNJK-INIZCTEOSA-N 318.348 2.222 0 40 DEAB O=C(Nc1n[nH]c(NC(=O)c2ccccc2)n1)c1ccccc1 1575156 RGBUMMFUOYYLKN-UHFFFAOYSA-N 307.313 2.309 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1cnn(C)c1)Cc1ccccc1 23197573 ILSYQCHLMBQCEM-KRWDZBQOSA-N 314.433 2.103 0 40 DEAB Cc1cccnc1NC(=O)CC1(Cn2cnnn2)CCCCC1 79479636 NCPUBFXVNBNCCB-UHFFFAOYSA-N 314.393 2.356 0 40 DEAB CC(C)OC(=O)[C@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 3903743 NBRKDTGLWWFFIZ-LDDOYCOJSA-N 319.401 2.053 0 40 DEAB COC(=O)C1=C(C)Nc2nnnn2[C@@H]1c1ccc2ccccc2c1 4502637 CMZCNUGCRKSQLL-OAHLLOKOSA-N 321.340 2.288 0 40 DEAB CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@H](C)c1ccncc1 84597529 URUURPTULLELIN-QWHCGFSZSA-N 306.410 2.087 0 40 DEAB O=C(Cc1ccccc1)OCc1cc(=O)n2ccsc2n1 6086495 BDMHDANQGOCJAQ-UHFFFAOYSA-N 300.339 2.042 0 40 DEAB O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccon1 97086321 MSGFYJVKXNXGKS-UHFFFAOYSA-N 321.764 2.413 0 40 DEAB CC1CCC(NC(=O)C2CCN(Cc3nccn3C)CC2)CC1 43268983 SULYTXUZHSORDG-UHFFFAOYSA-N 318.465 2.327 0 40 DEAB O=C(Nc1ccccc1Cl)N[C@@]1(C(=O)O)CCSC1 43511163 UMFATWRBEMOTMU-LBPRGKRZSA-N 300.767 2.422 0 40 DEAB O=C1NCCCC[C@H]1NCc1ccc(OC(F)(F)F)cc1 35224570 ZWRGBFKGPOMPOY-GFCCVEGCSA-N 302.296 2.344 0 40 DEAB C[C@H](NC(=O)CN1CCC[C@H](c2ccn[nH]2)C1)c1ccco1 72270630 BVOYULZEFFSBDF-STQMWFEESA-N 302.378 2.060 0 40 DEAB O=C([C@@H]1CCCN(c2ncccn2)C1)N1CCc2ccccc2C1 27605397 ISEGHECPFFEZMT-QGZVFWFLSA-N 322.412 2.278 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108374863 UUCDQAJEMLPILV-XJFOESAGSA-N 304.394 2.193 0 40 DEAB C[C@H](CO)Nc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 108475902 WGOJPNORTQHOOG-JHJVBQTASA-N 316.405 2.036 0 40 DEAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CC(=O)N(C4CC4)C3)sc2C1 25280339 PGQSXAJQWIHKRH-NXEZZACHSA-N 319.430 2.217 0 40 DEAB CN(CCO)C[C@@H](O)CN(c1ccccc1)c1ccccc1 1819745 SKYQKBKRQSMUEN-GOSISDBHSA-N 300.402 2.110 0 40 DEAB CCCCCCC(=O)NCC(=O)OCC(=O)c1ccccc1 1850079 QIKMFLOKWLHKST-UHFFFAOYSA-N 305.374 2.499 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 62118895 PRRDRKRODDUVQX-QMMMGPOBSA-N 302.157 2.469 0 40 DEAB COc1ccccc1CNC(=O)CN(C)Cc1ccc(C)o1 10141928 LITOMHCRDCEJSR-UHFFFAOYSA-N 302.374 2.345 0 40 DEAB CC(C)CCOCCOC(=O)c1ccc(N2CCNC2=O)cc1 58168614 JAFJJEYITILXGX-UHFFFAOYSA-N 320.389 2.436 0 40 DEAB CN1CCC[C@@H]1CNC(=O)c1ccc(C(=O)NC(C)(C)C)cc1 58213714 QIBBYMHHOAVQCL-OAHLLOKOSA-N 317.433 2.039 0 40 DEAB C[C@@H]1COCCN1C(=O)NC[C@@H](c1cccs1)N1CCCC1 44966576 SQGXCWGZYREOEF-KGLIPLIRSA-N 323.462 2.315 0 40 DEAB O=C(NCCc1ccsc1)[C@H]1CC(=O)N(Cc2ccco2)C1 44912119 IVNUVMSRVZLIAS-ZDUSSCGKSA-N 318.398 2.049 0 40 DEAB CCc1ccccc1NC(=O)CN(C)c1cc(Cl)nc(N)n1 45010140 NOZHMDFEYUFKND-UHFFFAOYSA-N 319.796 2.350 0 40 DEAB COC[C@H](C)N(C)C(=O)c1ccc2c(c1)NC(=O)CCS2 48345418 GPCOIHXZEPDHDB-JTQLQIEISA-N 308.403 2.228 0 40 DEAB COc1ccccc1C(=O)OCC(=O)NCc1ccc(F)cc1 3465994 PJYBKISFWJMWSE-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cc1ccc(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)cc1 12980134 NAKZBRYBFWJBKS-UHFFFAOYSA-N 308.337 2.486 0 40 DEAB C[C@H](OC(=O)c1ccc(Br)cc1)C(=O)NC1CC1 5061509 UOQVXTUYLKLSGV-QMMMGPOBSA-N 312.163 2.273 0 40 DEAB COc1ccccc1CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 13737117 GKRNGMBBPQXUCW-KBPBESRZSA-N 303.358 2.021 0 40 DEAB C[C@H]1CCc2c(C(=O)NCCCn3cncn3)csc2C1 65415402 QLYFSBOMXACHED-NSHDSACASA-N 304.419 2.285 0 40 DEAB NC(=O)N[C@@H](CC(=O)NCc1ccccc1)c1cccs1 14051189 LVEXXDNQAQFJNQ-LBPRGKRZSA-N 303.387 2.164 0 40 DEAB Cc1cc(N2C(O)=NS(=O)(=O)c3cccnc32)ccc1F 67172416 GIEAYMYTZSLPLH-UHFFFAOYSA-N 307.306 2.284 0 40 DEAB O=C(NCCc1ccc(O)cc1)c1ncccc1OCC(F)F 95351075 FOWAKQRPJLDSKZ-UHFFFAOYSA-N 322.311 2.404 0 40 DEAB CC(C)n1cc([C@H](C)N[C@H]2CC(=O)N(CC(F)(F)F)C2)cn1 90074222 FFMMXMYEHKCXLM-JQWIXIFHSA-N 318.343 2.278 0 40 DEAB C=CCNC(=S)N1CCN(Cc2ccc(OC)c(F)c2)CC1 15517520 BVCUUCBHHGOSEW-UHFFFAOYSA-N 323.437 2.012 0 40 DEAB COC(=O)c1cccc(COC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c1 71859332 GIPQSWZDWHYNNH-HUUCEWRRSA-N 314.341 2.054 0 40 DEAB C[C@H](OC(=O)C[C@@H]1C=CCC1)C(=O)Nc1ccc(C(N)=O)cc1 7937984 OIBRODMKASXVAO-NWDGAFQWSA-N 316.357 2.012 0 40 DEAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12 8100208 MXJZHRIYRLOXCQ-FZMZJTMJSA-N 300.358 2.026 0 40 DEAB CC(C)c1nc(C(=O)N2CCC(c3nncn3C)CC2)cs1 69377928 YLUFXSCBTHSYDN-UHFFFAOYSA-N 319.434 2.415 0 40 DEAB c1ccc(N2CC[C@H](CNC[C@@H]3CNc4ccnn4C3)C2)cc1 69490368 NVNAANUVDAYOEL-HZPDHXFCSA-N 311.433 2.041 0 40 DEAB O=S(=O)(Cc1cccc(F)c1)NCCCN1CCCCC1 69737850 OOYSXVOKKIAJKT-UHFFFAOYSA-N 314.426 2.121 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)NCC(=O)Nc1ccccn1 95427330 HPYHJTVSGZLSFW-UHFFFAOYSA-N 308.341 2.240 0 40 DEAB Cc1ccc2nc(CN3CCC4(CC3)OC[C@@H](C)O4)cn2c1 84088429 IYWXHBHCUVZFNN-CQSZACIVSA-N 301.390 2.370 0 40 DEAB O=C1C[C@H](Nc2cncc(Cl)n2)CN1Cc1ccccc1 69843358 MLEVQYZSAGGOCB-LBPRGKRZSA-N 302.765 2.343 0 40 DEAB COc1ccc(OC)c([C@H]2CC(O)=Nc3nc(C)[nH]c(=O)c32)c1 8972291 FASXLYPXFYFDSG-LLVKDONJSA-N 315.329 2.219 0 40 DEAB C[C@H](CCCO)NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 88590352 HMRSPHWDSYUEQJ-FVQBIDKESA-N 306.406 2.224 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)c1 95982996 FGUSTBQDBTUSPW-CQSZACIVSA-N 315.373 2.254 0 40 DEAB CCN1CCC[C@H](CNC(=O)N2CC[C@H](OCC(C)C)C2)C1 95965774 XUGUGRIVUIFKKW-CVEARBPZSA-N 311.470 2.175 0 40 DEAB CC(C)[C@]1(C)CC(=O)N(C[C@@H](O)c2ccc(F)c(F)c2)C1=O 95960062 PXYMBRVIKBRJHK-CJNGLKHVSA-N 311.328 2.419 0 40 DEAB COC(=O)C[C@@H]1CN(Cc2cc(C)nc3ccccc23)CCO1 89582991 RGSXTBMPWGXBQP-OAHLLOKOSA-N 314.385 2.307 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75122019 PSNJXGMYKNXLJP-CYBMUJFWSA-N 322.368 2.057 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)CNC(=O)CC1CCCC1 75126602 XUNHHPVAUBEWSW-ZDUSSCGKSA-N 303.406 2.088 0 40 DEAB Cc1cc(=O)n(C)cc1NS(=O)(=O)C[C@@H](C)c1ccccc1 89642870 FEJJGPZUOGTTMU-CYBMUJFWSA-N 320.414 2.239 0 40 DEAB C[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[S@](C)=O 89900720 PPLGOGRUNNUGHI-DCXZOGHSSA-N 308.230 2.419 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CCOC[C@H]3CCCO3)n2)s1 76065106 ABNGMNHNWFUCMZ-CYBMUJFWSA-N 320.414 2.476 0 40 DEAB Cc1noc(-c2ccc(C(=O)N(C3CC3)[C@H](C)C(=O)O)cc2)n1 1548454012 UDDPABJZKDQFSG-SECBINFHSA-N 315.329 2.123 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 17055870 YOENTGLLUANYOQ-NWDGAFQWSA-N 324.446 2.172 0 40 DEAB O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1CO 127048669 MXIATJHCHJVEHC-NEPJUHHUSA-N 304.173 2.010 0 40 DEAB C[C@@H](CC(=O)N(C)Cc1cnn(C)c1)C(=O)c1cccc(F)c1 72900703 JISSHAIOFJFCKT-LBPRGKRZSA-N 317.364 2.427 0 40 DEAB CCCCNc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)O 217570937 ZFTJYZHETGBRHR-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)c(C)c2)CC1 74959651 QSAQBXLHWKZHEG-UHFFFAOYSA-N 319.401 2.348 0 40 DEAB CCN(C[C@H]1CCCCN1CC(=O)O)C(=O)OC(C)(C)C 79410592 XECCIDXMRSIUSR-GFCCVEGCSA-N 300.399 2.183 0 40 DEAB Cc1ncccc1Oc1nccnc1[C@@H]1CCCN(CCO)C1 72383509 KILRUYWTLCNBDK-CQSZACIVSA-N 314.389 2.144 0 40 DEAB CN1C(=O)C[C@H](C(=O)NC2CCCC2)[C@H]1c1ccc(F)cc1 72242196 JCHKASTZUZRYNL-GOEBONIOSA-N 304.365 2.404 0 40 DEAB CCCNC(=O)[C@H](C)Sc1nccn1Cc1ccccn1 79037978 PGOJSYDPOIZJGT-LBPRGKRZSA-N 304.419 2.333 0 40 DEAB C[C@@H](COc1cccc(F)c1)OC(=O)c1ccc2nncn2c1 73533286 KKFGPHRCGHEXLT-NSHDSACASA-N 315.304 2.493 0 40 DEAB Cc1cccc2sc(NC(=O)[C@@H]3CSCCC(=O)N3)nc12 75171308 HVIFJYLBKFUNLB-VIFPVBQESA-N 321.427 2.165 0 40 DEAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3cnn(C)c3)CC2)n1 41122018 NBEFHAACYJSKLH-LLVKDONJSA-N 317.393 2.336 0 40 DEAB Cc1cc(CNC(=O)Nc2ccccc2F)nc(N(C)C)n1 191427486 FWODQKVHONMKJR-UHFFFAOYSA-N 303.341 2.312 0 40 DEAB COCCCNC(=S)Nc1nc(C)cc(N2CCCCC2)n1 225901933 FEOIWFXEONPNEU-UHFFFAOYSA-N 323.466 2.098 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 222262343 GIGSGDYORBGHQR-IKIFYQGPSA-N 323.348 2.169 0 40 DEAB COc1ccc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@H]23)cc1OC 228936775 VDCNCYYIFCBGAZ-XHDPSFHLSA-N 302.374 2.385 0 40 DEAB COc1ccc(C(=O)NCC2(N(C)C)CCCC2)cc1OC 46445283 QLXFMWSHMPMRSA-UHFFFAOYSA-N 306.406 2.308 0 40 DEAB COc1cc(NC(=O)c2cc(C)no2)ccc1N1CCOC1=O 63708498 NSOZZJKIVMNDDC-UHFFFAOYSA-N 317.301 2.201 0 40 DEAB COCCN1[C@H](C)CN(C[C@@H](OC)c2ccccc2)C[C@H]1C 225786038 VSOKUUINRNPAGE-JFIYKMOQSA-N 306.450 2.415 0 40 DEAB COC(=O)[C@H](CNC(=O)c1oc(C)nc1C)c1ccc(F)cc1 192757073 VPUPMSSFCWIQQS-CYBMUJFWSA-N 320.320 2.117 0 40 DEAB CCn1nnnc1-c1cccc(NC(=O)Nc2cc(C)n[nH]2)c1 192267941 NODNSPGHUOVRGC-UHFFFAOYSA-N 312.337 2.036 0 40 DEAB COC1CCN(CCNC(=O)N[C@@H]2CCC[C@@H](C3CC3)C2)CC1 80152786 GBZJXYOFXWSGBL-HZPDHXFCSA-N 323.481 2.365 0 40 DEAB CCc1noc(CN(C)C(=O)c2cc(F)c(F)c(O)c2F)n1 195561467 TYHPHEZXUYOXQH-UHFFFAOYSA-N 315.251 2.027 0 40 DEAB Cc1cnc(N2CCC3(CCN(CC4CC4)C3=O)CC2)nc1 96157812 YCIPNVPHNIAAMD-UHFFFAOYSA-N 300.406 2.014 0 40 DEAB CC(C)CNC(=O)[C@H]1C[C@]12C(=O)N(CC1CC1)c1ccccc12 96080030 JUVYRQBYSNSLCA-DNVCBOLYSA-N 312.413 2.473 0 40 DEAB CS(=O)(=O)c1n[nH]cc1-c1ccc(Br)cc1 96524717 MMESDJHTIOGDSY-UHFFFAOYSA-N 301.165 2.243 0 40 DEAB CN(CC(C)(C)O)C(=O)NCCc1ccc(F)cc1Cl 96462938 WAOFJBZGHWKZRC-UHFFFAOYSA-N 302.777 2.434 0 40 DEAB CCOc1ccccc1[C@H](CC)NC(=O)NCC[S@@](C)=O 96408842 JZQCNVNGJUJKHC-ZSEKCTLFSA-N 312.435 2.214 0 40 DEAB Cc1cccc(N2CCN(CCOC[C@@H]3CCCO3)[C@H](C)C2)n1 96421135 VSIAKRANLXHSTH-SJORKVTESA-N 319.449 2.096 0 40 DEAB O=C(NCC[S@@](=O)Cc1ccccc1)N[C@H]1C=CCCC1 96462961 NLHPZBGKLSKDTN-BTYIYWSLSA-N 306.431 2.343 0 40 DEAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2Cc2c[nH]cn2)n1 257340311 ZFLPOAVSRFCJEK-INIZCTEOSA-N 300.410 2.085 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCN(C)[C@@H](c3ccccc3)C2)n1 257235984 HAJHIMRJEFAEET-QGZVFWFLSA-N 312.417 2.015 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cccc4ncccc34)CCO2)n1 257275577 NPYHRTPASBIHJP-INIZCTEOSA-N 322.368 2.480 0 40 DEAB COc1ccc([C@H]2CCN(c3ncnc4c3cnn4C)C2)cc1 299621985 QSBBIZYGRLXZIG-ZDUSSCGKSA-N 309.373 2.366 0 40 DEAB CC(=O)N1CCC[C@H]2N(C(=O)c3ccccn3)CCC[C@@]21C 257281354 OOUPKOQZJWHDOL-WBVHZDCISA-N 301.390 2.087 0 40 DEAB Cc1cnn(CC(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)c1 257202327 ALHPTABLQPFTRN-OAHLLOKOSA-N 313.405 2.016 0 40 DEAB Cc1nccn1CCCC(=O)N1CCC[C@H](n2cccn2)C1 69347342 WACWQLGLIWAISJ-HNNXBMFYSA-N 301.394 2.032 0 40 DEAB CCc1noc([C@@H](C)N2CCN(C(=O)c3ccccc3)CC2)n1 69463945 XKUGAOIZSRVKIH-CYBMUJFWSA-N 314.389 2.151 0 40 DEAB COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1OC 58161428 YMXKYVOXYVRLBM-QWHCGFSZSA-N 301.346 2.180 0 40 DEAB CCN(CC)c1ccc(C(=O)N2CCC[C@H](NC(C)=O)C2)cc1 58282792 ICDXCFRDSUHEDS-INIZCTEOSA-N 317.433 2.274 0 40 DEAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H]1CN1CCCC1 58356003 YFRWPJMZGDHUFX-NVXWUHKLSA-N 300.402 2.077 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)C(=O)N(C)C 56875759 OEIBSRQTVRNZPT-GOEBONIOSA-N 317.433 2.270 0 40 DEAB CC(C)c1n[nH]c([C@@H]2CN(C(=O)CCc3ccco3)CCO2)n1 84630837 XUIUDLHUAJPDOK-ZDUSSCGKSA-N 318.377 2.054 0 40 DEAB CCN(CCO)C(=O)c1ccc(COc2ccccc2OC)o1 97367621 YQJMJXLADMEOSZ-UHFFFAOYSA-N 319.357 2.322 0 40 DEAB CCOCc1nnc(NC(=O)C(Cl)(Cl)Cl)s1 17031140 BUGLWQOYWBMCRH-UHFFFAOYSA-N 304.586 2.383 0 40 DEAB Cc1nc2ccccn2c1C(=O)N1CC2(CCN(C(C)C)C2)C1 1565554640 WOFULUQEVFTJHP-UHFFFAOYSA-N 312.417 2.199 0 40 DEAB COc1c2c(cc3c1[C@@H](Cc1cc(C)n[nH]1)N(C)CC3)OCO2 8973477 KIEVUGOFGKRRET-CYBMUJFWSA-N 315.373 2.227 0 40 DEAB biogenic COc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)c(OC)c1 10328350 HOHVLAFFWKVKMB-AWEZNQCLSA-N 318.373 2.330 0 40 DEAB C[C@@](O)(CNC(=O)c1ccc2nsnc2c1)c1cccs1 75155873 SFBMDKVDKCXHET-CQSZACIVSA-N 319.411 2.390 0 40 DEAB Cc1nc(CCNC(=O)NCc2ccc3c(c2)OCO3)cs1 31032255 JUCGAXGJUCJSHW-UHFFFAOYSA-N 319.386 2.222 0 40 DEAB CCOc1ncccc1NC(=O)[C@H]1COc2ccccc2O1 40513578 ZDBPJQIYPRLWLB-CQSZACIVSA-N 300.314 2.259 0 40 DEAB Cc1ccc(N2C(=O)/C(=C\NCCO)c3ccccc3C2=O)cc1 101189154 DIZXFNBWCZAHTA-ATVHPVEESA-N 322.364 2.105 0 40 DEAB NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2cccnc2)c1 32754658 BURUTMBMGMNTIR-UHFFFAOYSA-N 324.384 2.423 0 40 DEAB C[C@@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1ccnc1 52360677 ODFBRSVCYOATLI-WFASDCNBSA-N 303.337 2.183 0 40 DEAB CCOc1ccccc1CNC(=O)CN1CCCCCCC1=O 53167105 QITCMNKICQJRPI-UHFFFAOYSA-N 318.417 2.494 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1OC 53383631 ZPVWYEBOPMQKCX-KBPBESRZSA-N 305.374 2.026 0 40 DEAB C[C@H](NC(=O)CSc1nc([C@H]2CCCO2)n[nH]1)c1ccco1 22544412 XDYHKXBASQCONC-GXSJLCMTSA-N 322.390 2.219 0 40 DEAB CC1=CC[C@H]2C(=O)N(NC(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 349835 JNODLZWVYHTQEH-OLZOCXBDSA-N 318.760 2.326 0 40 DEAB Cc1cc(NC(=O)CNC(=O)Cc2cccc3ccccc23)[nH]n1 47555289 WXTXXKNLQCMKJM-UHFFFAOYSA-N 322.368 2.169 0 40 DEAB CCOC(=O)c1c(O)cc(=O)n(-c2ccc(OC)cc2)c1C 715598 KITGERKHVWHYBL-UHFFFAOYSA-N 303.314 2.037 0 40 DEAB C[C@H]1CN([C@@H](CNc2ncccn2)c2cccs2)CCO1 78802979 TWUAYEZQLWXYTK-STQMWFEESA-N 304.419 2.412 0 40 DEAB COc1ccc([C@H]2SCC(=O)N2c2nncs2)cc1F 1611383 KQLBTICHOIPHQU-LLVKDONJSA-N 311.363 2.464 0 40 DEAB Cc1cnc(NC(=O)CN2CCC(N3CCCCC3)CC2)s1 4451231 GKGVVFUPHUDLCV-UHFFFAOYSA-N 322.478 2.340 0 40 DEAB COc1ccc(CNC(=O)NCCNc2ccccn2)cc1 24690955 NPPGYEATMQHXOW-UHFFFAOYSA-N 300.362 2.002 0 40 DEAB CC[C@H](C)NC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OC 7457547 OKOHHZQBYOQLCJ-LBPRGKRZSA-N 315.373 2.078 0 40 DEAB Cc1nnc(S/C(=C\c2ccc(C(=O)O)cc2)C(=O)O)o1 7603711 CXMJJKWMCHNDQH-POHAHGRESA-N 306.299 2.294 0 40 DEAB CCN1C[C@H](C(=O)N[C@H](CSC)c2ccccc2)CC1=O 95398809 UMJFEQJIKLYEMA-ZIAGYGMSSA-N 306.431 2.075 0 40 DEAB CCN1C[C@@H](C(=O)N2CCC[C@@H]2c2cccc(F)c2)CC1=O 55864414 QIOQZUCYTFLSRQ-DZGCQCFKSA-N 304.365 2.358 0 40 DEAB O=C(NCc1ccncc1)C(=O)Nc1ccccc1C(F)(F)F 9859811 OOGZZENHIOXGLS-UHFFFAOYSA-N 323.274 2.355 0 40 DEAB CCOCCCNC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 44302432 LFGVFRUXKDDXEY-CYBMUJFWSA-N 324.446 2.143 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cnn(C)c1 108474467 XTJMYMKHHLVKSL-XJKSGUPXSA-N 313.405 2.062 0 40 DEAB CCOC(=O)[C@H](C)NC(=O)Cc1ccc(-n2cccc2)cc1 58061339 DYRUAGMUEAEIIQ-ZDUSSCGKSA-N 300.358 2.088 0 40 DEAB Cc1cc(CN(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)no1 48253511 VRNHKKVMAUXKQO-NHYWBVRUSA-N 302.330 2.170 0 40 DEAB N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 26505299 DJPAXUPAHIQLHK-ZJUUUORDSA-N 320.798 2.133 0 40 DEAB CCCN1CCN(Cc2nc(-c3ccccc3OC)no2)CC1 44871368 XKEPPYQTSOCCHA-UHFFFAOYSA-N 316.405 2.273 0 40 DEAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)C(=O)NCc1ccco1 58283174 BDNKLDRYRBGSLJ-LLVKDONJSA-N 319.361 2.134 0 40 DEAB O=C(OCc1ccoc1)c1ccc(CN2C(=O)CCC2=O)cc1 58282976 KYFYDSSIPRWYTN-UHFFFAOYSA-N 313.309 2.286 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCCC1)NC1CCC(O)CC1 44947065 JZFIQNMIMSDGSQ-YMAMQOFZSA-N 321.421 2.019 0 40 DEAB COc1ccc(C2=CCN(C[C@H](O)Cn3cccn3)CC2)cc1 44975456 NDKUKPCCENMFJD-KRWDZBQOSA-N 313.401 2.042 0 40 DEAB Cc1csc(CNC(=O)NC[C@@H](C)Cn2nc(C)cc2C)n1 44953053 RDDHFQHCBZQKPA-SNVBAGLBSA-N 321.450 2.400 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc2c(s1)CCC2 12700907 KTYSTEASXTZAEV-UHFFFAOYSA-N 311.370 2.465 0 40 DEAB CN(CCC(=O)NC(N)=O)Cc1ccccc1-c1ccccc1 58332827 UUGWNFFCFPIIRT-UHFFFAOYSA-N 311.385 2.370 0 40 DEAB Cc1ncc(CN2CCN(C3CCCC3)[C@H](CCO)C2)s1 36385562 JEEKWWQSNCXJFO-OAHLLOKOSA-N 309.479 2.263 0 40 DEAB Cn1ncc2c(=O)n(CCCOc3ccc(Cl)cc3)cnc21 12806218 GGRHRDQXPLADGG-UHFFFAOYSA-N 318.764 2.253 0 40 DEAB CC(C)COC[C@@H](O)CNC(=O)Nc1nc2ccccc2s1 45827056 PPNYDBIBZGFPAX-NSHDSACASA-N 323.418 2.451 0 40 DEAB Cc1ccc(CN(C)C(=O)[C@H]2CCCN(c3cnccn3)C2)o1 29753090 QIPRZCHYSWXUQE-AWEZNQCLSA-N 314.389 2.253 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2cc(C)no2)c1C 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CCC[C@@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC)c1 408610154 VAZHLTWAXYQRRG-GFCCVEGCSA-N 312.435 2.212 0 40 DEAB Cc1cc(C)c(NC(=O)C[C@H]2SC3=NCCN3C2=O)c(C)c1 36635295 DKILSXKTFISHLU-GFCCVEGCSA-N 317.414 2.254 0 40 DEAB Cc1cccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccco2)c1 72239580 RKQKHKDERBGTLK-MRXNPFEDSA-N 312.369 2.395 0 40 DEAB CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)O 38655435 WAXPQFZXYJZOLH-UHFFFAOYSA-N 305.334 2.146 0 40 DEAB Cc1cncc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 72385667 VZKBPMWCYSNHEG-CYBMUJFWSA-N 300.362 2.410 0 40 DEAB O=S(=O)(c1cccc(Cl)c1Cl)N1CCC[C@H](O)C1 35118866 JVSIWDNCNDFZLP-QMMMGPOBSA-N 310.202 2.139 0 40 DEAB CSc1nc(C)c(CCC(=O)N2CCC[C@@H](C)CC2)c(=O)[nH]1 62927443 MUHURGFOQXQMFO-LLVKDONJSA-N 323.462 2.381 0 40 DEAB Cc1cc(C)n(CCC(=O)N2CCCC[C@H]2c2nc(C)no2)n1 41123676 ZFDFEWGQZZTWDG-AWEZNQCLSA-N 317.393 2.335 0 40 DEAB Cc1nc(NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)sc1C 40804784 HBJLTOVKMBVHLW-HNNXBMFYSA-N 317.370 2.488 0 40 DEAB CCS(=O)(=O)c1ccccc1N[C@@H]1CCCC[C@H]1C(=O)NC 225521418 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0 40 DEAB Cn1ccc2ccc(NS(=O)(=O)c3c[nH]c(C(=O)O)c3)cc21 78001582 DSWLGDMVWZCWAG-UHFFFAOYSA-N 319.342 2.005 0 40 DEAB O=C1CC[C@@H](C(=O)NCCc2nc(C3CCCCC3)cs2)N1 78917848 SMDHETWTKGUHLQ-LBPRGKRZSA-N 321.446 2.128 0 40 DEAB COc1ccc(-c2nc(C(=O)Nc3nc[nH]n3)cs2)cc1 23141790 KSNQHTFYHRXPTQ-UHFFFAOYSA-N 301.331 2.189 0 40 DEAB CCOC(=O)N1[C@H]2c3ccccc3[C@@H]3[C@H]([C@H]21)N3C(=O)OCC 4990545 AHHWXIUFNYQOQQ-ZGVIHHLJSA-N 302.330 2.464 0 40 DEAB O=C(Cn1ccccc1=O)NCCc1ccc(C(F)(F)F)cc1 24049872 JPWGFCAHEXFNQR-UHFFFAOYSA-N 324.302 2.226 0 40 DEAB CCCOc1ccccc1[C@H]1NC(=S)NC(C)=C1C(=O)OC 6593536 MPOGNCPQDSTIFW-CQSZACIVSA-N 320.414 2.441 0 40 DEAB Cc1ccccc1OC[C@@H](C)NC(=O)NC1CCC(O)CC1 55087952 SZQVRXCCHPPVNW-WLYUNCDWSA-N 306.406 2.365 0 40 DEAB CC(C)N1CCN(C(=O)[C@@H]2CCCN(Cc3ccco3)C2)CC1 55133217 NRUUTUBAMUMRNS-MRXNPFEDSA-N 319.449 2.044 0 40 DEAB CC(=O)N1C[C@H](C(=O)Nc2cccc(C)n2)Oc2ccccc21 12554069 GYCHKZXFAMKZFB-OAHLLOKOSA-N 311.341 2.143 0 40 DEAB Cc1cc(NC(=O)CN(C)[C@H](C)c2sc(C)nc2C)n(C)n1 106936522 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C[C@H](C(=O)N1CCO[C@H](c2ccc(F)cc2)C1)n1cccn1 45074919 XDJVRKPCNJSDTE-DOMZBBRYSA-N 303.337 2.183 0 40 DEAB C[C@]12CC[C@H]3[C@@H](C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 118930905 FRPCYGNWEDESDG-LRIRSYNWSA-N 322.445 2.045 0 40 DEAB C[C@@H](NC(=O)CCn1c(=O)oc2ccccc21)c1ccccn1 28782526 UBUMMWJBPQWRJN-GFCCVEGCSA-N 311.341 2.257 0 40 DEAB CCN(C[C@H]1CCOC1)C(=O)C[C@@H](NC(C)=O)c1cccs1 48325710 WUTHVNKDYYWDBL-ZIAGYGMSSA-N 324.446 2.200 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccc2c(c1)CCC2 3452591 PRZIMNUOSHRBHQ-UHFFFAOYSA-N 319.368 2.468 0 40 DEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC[C@@H]1CCOC1 47067780 MYNCQQAUFPBHPP-AWEZNQCLSA-N 314.389 2.050 0 40 DEAB O=C(O)C[C@H]1CCCCN1S(=O)(=O)c1cccc(Cl)c1 38026976 VKMTZYPYQPFQOG-LLVKDONJSA-N 317.794 2.358 0 40 DEAB Nn1cc(-c2ccccc2)nc1SCCCN1CCCC1=O 63414035 QACXKBUOEZBZQZ-UHFFFAOYSA-N 316.430 2.369 0 40 DEAB NC(=O)c1ccnc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)c1 64337622 NEKVRZOMVDZHBW-ZDUSSCGKSA-N 321.384 2.441 0 40 DEAB O=C(Nc1cc(-c2ccccc2)on1)N[C@H]1CCc2ncnn2C1 97104130 GPFXWHTYHUNOOX-LBPRGKRZSA-N 324.344 2.070 0 40 DEAB O=C([C@H]1CCN1C(=O)c1ccccc1)N1CCc2ccccc21 97134176 CRGSIBMBTBWINA-QGZVFWFLSA-N 306.365 2.490 0 40 DEAB Cc1ccc(C(=O)N2CC(=O)c3ccccc3S2(=O)=O)cc1 5274923 RMIWWRIDAZKSLJ-UHFFFAOYSA-N 315.350 2.022 0 40 DEAB C[C@H](NCc1nc(C(C)(C)C)no1)c1nnc2ccccn12 97111388 FMSBNZOZJMUMNL-JTQLQIEISA-N 300.366 2.261 0 40 DEAB CC(=O)NCCC(=O)Nc1ccc(OC(F)F)c2ncccc12 65809544 CFHUMBOFKWPGKW-UHFFFAOYSA-N 323.299 2.301 0 40 DEAB CN(CCCNC(=O)[C@@H]1CCc2cn[nH]c2C1)c1ccccc1 72302720 VQEFHRQTGBSFTI-CQSZACIVSA-N 312.417 2.157 0 40 DEAB COc1ccc(CCNC2=CC(=O)N(c3ccccc3)C2=O)cc1 4621075 SUEOONZZHFNJKH-UHFFFAOYSA-N 322.364 2.285 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 4660837 BWGCGJXMTHGWJJ-UHFFFAOYSA-N 307.327 2.200 0 40 DEAB O=C(Cn1nnc2ccccc21)N[C@@H]1C[C@@H]1c1cccc(F)c1 67091877 CVCRSFSZLVPJFN-UKRRQHHQSA-N 310.332 2.243 0 40 DEAB Cc1ccc([C@@]2(C)NC(=O)N(CCc3ccncc3)C2=O)cc1 7034521 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C[C@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C(=O)NC(C)(C)C 69808745 GYHSCHUXUSJHJL-JTQLQIEISA-N 321.425 2.199 0 40 DEAB C[C@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 69876195 ZLQGTNPKUXNZSW-JTQLQIEISA-N 317.216 2.132 0 40 DEAB Cc1cc(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)on1 69847243 QMBBEWHBSXJQNK-QAPCUYQASA-N 315.417 2.223 0 40 DEAB Cc1ccc(OCC(=O)NCCCOC[C@H]2CCOC2)c(C)c1 71920702 HZJWEXURXWCYKU-MRXNPFEDSA-N 321.417 2.242 0 40 DEAB O=C(NCC[C@@H](O)C(F)(F)F)N[C@@H]1CCc2ccc(F)cc21 71914987 UXSJZPVWXSVGIK-VXGBXAGGSA-N 320.286 2.426 0 40 DEAB CSC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)O 97056871 DVSKLZMXQWFDPY-LBPRGKRZSA-N 310.419 2.123 0 40 DEAB O=C(OCCn1cc(Br)ccc1=O)c1ccoc1 95463486 HDGJJYUZYUJIGI-UHFFFAOYSA-N 312.119 2.061 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3COc4ccccc43)C2)no1 72281983 UTDHNRVLUASGSN-GXTWGEPZSA-N 313.357 2.260 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3cscn3)C2)n1 72235564 LFJBVCOYZAGVSV-CQSZACIVSA-N 319.434 2.148 0 40 DEAB Cc1cnc(CCNC(=O)NCCc2ccc(O)cc2)s1 73948454 FPMIODAFEGHIAV-UHFFFAOYSA-N 305.403 2.242 0 40 DEAB N[C@@H]1CCC[C@H]1C(=O)N1CCN(c2ccccc2Cl)CC1 85357799 NCLFDRWXJXSAIO-TZMCWYRMSA-N 307.825 2.116 0 40 DEAB C[C@@H](CCn1cncn1)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 95968045 OPDDOCKJICJAAH-UONOGXRCSA-N 323.441 2.046 0 40 DEAB O=c1[nH]ncc(NC[C@@H](O)c2ccc(Cl)c(F)c2)c1Cl 95977480 RAGKPWWVTPMFHK-SNVBAGLBSA-N 318.135 2.361 0 40 DEAB CN(C)C[C@H](NC(=O)Cn1ncc2ccccc21)c1ccccc1 89314189 YBZXRGONZBKONS-KRWDZBQOSA-N 322.412 2.455 0 40 DEAB Cc1nc(CNC(=O)N[C@@H](CO)c2ccccc2)sc1C 74919101 DXTKTIALCVFDBV-ZDUSSCGKSA-N 305.403 2.293 0 40 DEAB COc1cccc(-n2nnc(C(=O)Nc3cc(C)on3)c2C)c1 9970554 WIELZPADKUUKOH-UHFFFAOYSA-N 313.317 2.133 0 40 DEAB O=C(O)c1ccccc1OCCN1C(=O)c2ccccc2C1=O 75283530 TVBKUIOTZOJOFX-UHFFFAOYSA-N 311.293 2.060 0 40 DEAB CC(C)Oc1cccc([C@@H](O)CNC(=O)c2cccn2C)c1 89890885 MLOMPFDLPIJKOR-INIZCTEOSA-N 302.374 2.276 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCC2(CCOC)CC2)C12CCC2 89985747 GAXBIVCREVLDSD-UONOGXRCSA-N 310.438 2.450 0 40 DEAB CC[C@@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@@H]1N(C)C 89948569 CYZQQBPYDKVIDE-HIFRSBDPSA-N 304.438 2.321 0 40 DEAB O=C1NC(=O)[C@@H]2[C@@H](c3ccco3)N(c3ccc(Cl)cc3)O[C@@H]12 170620725 JOZFRLCLDICRRS-JHJVBQTASA-N 318.716 2.067 0 40 DEAB Cc1nn(-c2ccncc2)cc1CNC(C)(C)c1cnn(C)c1 546704628 HAJIEASPAQJPFG-UHFFFAOYSA-N 310.405 2.334 0 40 DEAB Cc1c(F)cccc1C(=O)NC[C@H]1CCO[C@@H]1c1cn[nH]c1 1549656523 GYXUYKDVQVZVCW-ABAIWWIYSA-N 303.337 2.365 0 40 DEAB CN(c1cccc(C#N)c1)S(=O)(=O)c1ccccc1C=O 60379041 QOZNFBPQHMHZSH-UHFFFAOYSA-N 300.339 2.196 0 40 DEAB CC(C)OCCCNC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 69418115 YJHHDLNVRUCYHD-ZDUSSCGKSA-N 322.380 2.110 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)NCC2CCCCC2)C1 524925901 XQTWYQUWZNEDDR-KGLIPLIRSA-N 316.467 2.222 0 40 DEAB COc1ccc([C@H]2[C@@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218099088 DRJFCBRDSOLEIA-IKGGRYGDSA-N 318.394 2.243 0 40 DEAB CC(C)(O)CN1CCN(C(=O)c2sccc2C2CC2)CC1 69771843 RIVWUBJWZODQQO-UHFFFAOYSA-N 308.447 2.154 0 40 DEAB Cc1ncc(/C=C/C(=O)NC[C@@H](C)CC2(C)OCCO2)s1 73113756 ULBBPMGBSGEODP-ZWNMCFTASA-N 310.419 2.370 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@H]1CCOC1 182767018 BOBSLIZVHRYQNN-KBPBESRZSA-N 306.410 2.442 0 40 DEAB Cc1cc(C)c2oc(N3CCOC[C@H]3c3ncnn3C)nc2c1 563596289 WSBYFFIJOJDEGV-ZDUSSCGKSA-N 313.361 2.151 0 40 DEAB Cn1ccc([C@@H](NC(=O)[C@@]2(C)CCCNC2)C(F)(F)F)c1 195554666 BJRHBISUGITGGR-YPMHNXCESA-N 303.328 2.134 0 40 DEAB C[C@H]1C[C@H](C)CC[C@H]1NC(=O)NCCS(=O)(=O)C(C)(C)C 195530231 VWGQAXYPXNCAHS-FRRDWIJNSA-N 318.483 2.324 0 40 DEAB Cc1cc(N2CCC[C@H](NS(C)(=O)=O)C2)c2ccccc2n1 131378562 AOHUEIDVTOPCMG-ZDUSSCGKSA-N 319.430 2.061 0 40 DEAB Cc1cc(C)n(Cc2nnc(N3C[C@H]4CCC[C@H]43)n2C2CC2)n1 573856077 JTNPAMRXLGOIBK-UKRRQHHQSA-N 312.421 2.463 0 40 DEAB Cc1ccc(C(C)(C)C(=O)NC[C@](C)(O)c2cnn(C)c2)cc1 80893173 BASMIBYPWRLLRI-SFHVURJKSA-N 315.417 2.030 0 40 DEAB CCN(CC(=O)NCc1ccc(F)cc1)c1ncncc1Cl 195576670 QTVCYFGEWDMORN-UHFFFAOYSA-N 322.771 2.412 0 40 DEAB O=C(N[C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1ccsc1 191551351 IVMOBYBZQSKTBM-AWEZNQCLSA-N 318.373 2.418 0 40 DEAB Cc1ccc(C(=O)N2CCn3cnc(COCC4CC4)c3C2)o1 96085165 XEMGFRKSSMDTRP-UHFFFAOYSA-N 315.373 2.367 0 40 DEAB CCC1(CC)NC(=O)N(Cc2ccc(-n3cccn3)cc2)C1=O 21399754 XEUSNQYZVRHYSK-UHFFFAOYSA-N 312.373 2.483 0 40 DEAB O=C(N[C@H](C(=O)O)c1ccccc1)c1ccn(-c2ccccc2)n1 195542703 FYURSKGGJNFIAU-INIZCTEOSA-N 321.336 2.428 0 40 DEAB Cc1nnc(CN2C[C@@H]3[C@@H](CC[C@H]3NC(=O)OC(C)(C)C)C2)o1 195561478 YFVWEFBQKJWCEN-YNEHKIRRSA-N 322.409 2.113 0 40 DEAB Cc1cc(O)cc(=O)n1CCC(=O)Nc1cccc2ncccc12 95472842 OXNXOLGVLJNVMO-UHFFFAOYSA-N 323.352 2.439 0 40 DEAB CCCOc1ccc(CCC(=O)N[C@@H]2CCC(=O)N(C)C2)cc1 96431188 KIQAJVHOGBAKCL-OAHLLOKOSA-N 318.417 2.145 0 40 DEAB CCn1cc2c(n1)CN(C(=O)Cc1cccs1)C[C@@H]2COC 96045184 CHOQWEWUAOQNOJ-GFCCVEGCSA-N 319.430 2.279 0 40 DEAB OCc1cn(-c2ccc(NCCc3cccs3)cc2)nn1 97094939 IIZCFJMWVOYUDP-UHFFFAOYSA-N 300.387 2.476 0 40 DEAB CC1(C)CCc2sc(CNC(=O)C3(O)CCOCC3)cc2C1 97097343 FHKDIRPBICGBQU-UHFFFAOYSA-N 323.458 2.421 0 40 DEAB O=C(NCCc1nc2ccccc2[nH]1)c1n[nH]c2c1CCCC2 96231957 FCTNJURTCCHMGZ-UHFFFAOYSA-N 309.373 2.137 0 40 DEAB CCOC[C@@H]1C[C@@H]2OCCN(Cc3ccc4c(c3)OCO4)[C@H]2C1 96082712 MAPMNXNTWYOGDL-ZOBUZTSGSA-N 319.401 2.431 0 40 DEAB CC(C)N(C)Cc1cncc2c1CCN(C(=O)c1ccc[nH]1)C2 96189467 NCYVZVBMKXDSTM-UHFFFAOYSA-N 312.417 2.448 0 40 DEAB CC(C)[C@@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96418193 GPRNTUHXZXSLBQ-SNVBAGLBSA-N 319.373 2.386 0 40 DEAB COc1ccc([C@H]2CNCCN2C(=O)c2ccc(C)nc2)cc1 257282269 OTBOCOVSJXHUHI-QGZVFWFLSA-N 311.385 2.185 0 40 DEAB Cc1ncoc1C(=O)N1CCC(c2ccnc3ccnn23)CC1 257257187 KOKUHHGAXJAOIO-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB CN(C)C(=O)c1cnc([C@H]2CCCCN2c2ncccn2)s1 257296321 RCGILNZLVOOBAW-LLVKDONJSA-N 317.418 2.367 0 40 DEAB CCO[C@H]1C[C@@](O)(CNc2nccc(C(F)(F)F)n2)C1(C)C 276942320 QSCFVIWYAITLEY-GXFFZTMASA-N 319.327 2.473 0 40 DEAB Cc1nocc1C(=O)N1CCC2(CC1)CC(N1CCCC1)C2 585101502 FMSKFEDCUWBYHB-UHFFFAOYSA-N 303.406 2.464 0 40 DEAB CN1CCN(Cc2nnnn2-c2ccccc2)Cc2ccccc21 69089729 WORTXOVFJLZCLA-UHFFFAOYSA-N 320.400 2.114 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)C1CCOCC1)CC2 31209176 AJBJUYJMUQXGKB-UHFFFAOYSA-N 305.374 2.015 0 40 DEAB Cn1cc([C@@H]2OCC[C@H]2NCc2cc(O)cc(Cl)c2)cn1 895012117 GSTSJDQYLFPIRE-CABCVRRESA-N 307.781 2.399 0 40 DEAB Cc1cc(OCC2CCN(c3nnc(C)s3)CC2)ncn1 1565520732 KISWXEKRKJSAJC-UHFFFAOYSA-N 305.407 2.240 0 40 DEAB CN(C)S(=O)(=O)c1ccccc1CNc1cccc(F)n1 57137245 SPJLPOXKDFSFLI-UHFFFAOYSA-N 309.366 2.083 0 40 DEAB Cc1cc(C(F)(F)F)c2c(=O)n(Cc3ccon3)n(C)c2n1 77239430 KOUYSAXEXXITQM-UHFFFAOYSA-N 312.251 2.099 0 40 DEAB CC(C)CC1(C(=O)N2CC(n3cc(C(C)(C)O)nn3)C2)CCC1 95998125 ISAFHCCBOFOYHI-UHFFFAOYSA-N 320.437 2.105 0 40 DEAB Cc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)s1 12441452 RZGYWAJSZUFBPB-UHFFFAOYSA-N 316.492 2.455 0 40 DEAB COc1ccccc1CN1CCC[C@@H](c2nc(C)cc(=O)[nH]2)C1 19117995 SFROGTTVLGVCBQ-OAHLLOKOSA-N 313.401 2.467 0 40 DEAB CN1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3)ncc2C1 19590559 LTHALAYGZXLVBN-QGZVFWFLSA-N 322.412 2.442 0 40 DEAB CN(C)Cc1cc(-c2ccc(CNC(=O)C3CC3)cc2)nn1C 19288865 YTKJJCCDBNDKBC-UHFFFAOYSA-N 312.417 2.175 0 40 DEAB CC(C)CCNC(=O)NC(=O)CN(C)CCCc1ccccc1 36396129 VCWLTHJVJJWUME-UHFFFAOYSA-N 319.449 2.423 0 40 DEAB Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@H](C)C(C)C)no1 21871720 MORKJKJJFTXKED-MNOVXSKESA-N 313.423 2.204 0 40 DEAB Cc1cccnc1C(=O)N1CC2(C[C@@H](N3CCCC3)CS2)C1 2056224199 GJGKLIBAOCDKAB-CQSZACIVSA-N 317.458 2.186 0 40 DEAB CC(=O)OC(C)(C)C(=O)NC[C@@H](O)c1csc2ccccc12 225694939 FSYSOCUQBFLPNY-CYBMUJFWSA-N 321.398 2.393 0 40 DEAB Cn1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1=O 30548640 OSDXCDRCAVHOHZ-UHFFFAOYSA-N 310.397 2.480 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N1CCC(C(=O)O)CC1 40268041 ZXXDGTKQMVWDRZ-UHFFFAOYSA-N 300.358 2.273 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Cn1ccc2c(OC)cccc21)C(=O)O 40310101 OROURRBWEMFANE-BZNIZROVSA-N 318.373 2.265 0 40 DEAB biogenic C[C@@H]1C[C@@H]1C(=O)NCCC(=O)Nc1cccc(OC(F)F)c1 40541007 BWUIJAJTJCPOBG-SKDRFNHKSA-N 312.316 2.389 0 40 DEAB CCN(CC(=O)N(C)C)C[C@@H](O)c1cccc(C(F)(F)F)c1 51792367 NCNPEVZFICZBFD-CYBMUJFWSA-N 318.339 2.149 0 40 DEAB C[C@H](NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1)[C@H]1CCCO1 52431067 CXWPKCLKDFQLPI-QPUJVOFHSA-N 319.386 2.295 0 40 DEAB O=C(/C=C/c1ccc(Br)o1)NC[C@H]1CCCO1 41779055 WPUSVAPLHBGOLO-DFVUYQKZSA-N 300.152 2.351 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)on1 22693228 PIYVCFFOEWOKMO-JTQLQIEISA-N 303.318 2.193 0 40 DEAB CCc1n[nH]c(SCC(=O)c2ccc(NC(C)=O)cc2)n1 285710 CBKLQLVHOLSYHY-UHFFFAOYSA-N 304.375 2.301 0 40 DEAB c1ccc2c(c1)CCCN2CCOc1ccc(-n2cnnn2)cc1 84581965 IKCRUGBBACHPJC-UHFFFAOYSA-N 321.384 2.494 0 40 DEAB CNC[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 71144427 YGFDUEPSVFBFSX-SECBINFHSA-N 323.245 2.223 0 40 DEAB O=C(NC[C@H]1Cc2ccccc2O1)N[C@@H]1COc2ccccc21 84581765 QXJDTNODOYVFOH-UKRRQHHQSA-N 310.353 2.423 0 40 DEAB CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@@H]1C(=O)O 42362746 NTXLUFHZBOFQMR-SFYZADRCSA-N 318.192 2.190 0 40 DEAB C[S@](=O)Cc1cccc(C(=O)NOCc2ccccc2)c1 54226457 IVMCMUACSOMGIA-OAQYLSRUSA-N 303.383 2.427 0 40 DEAB COc1ccc(F)cc1CSc1nnc(C(F)(F)F)n1N 24283510 PFWSHZPNACRKFG-UHFFFAOYSA-N 322.287 2.451 0 40 DEAB COc1ccccc1CCNC(=O)C(=O)Nc1cccc(F)c1 4583709 QANODAVUHNDWMS-UHFFFAOYSA-N 316.332 2.132 0 40 DEAB CCOC(=O)[C@@H](NC(=O)CC)[C@H](OC(=O)CC)c1ccccc1 4718993 XILBIJNJFDPPND-JKSUJKDBSA-N 321.373 2.139 0 40 DEAB CCCCNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7758994 ZGMAJNLUAIPJGN-UHFFFAOYSA-N 310.419 2.001 0 40 DEAB O=C1C[C@@H](C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2N1 25002309 LSOLPKHAMIPELN-GFCCVEGCSA-N 321.336 2.098 0 40 DEAB O=C(COC(=O)[C@H]1Cc2cc(Cl)ccc2O1)c1ccc[nH]1 25104367 GYWGCMAYIQBCNT-CQSZACIVSA-N 305.717 2.398 0 40 DEAB C[C@@H](N[C@@H]1CCSc2ccc(Cl)cc21)C(=O)NC(N)=O 25215824 FWDWQIXEDYOIEP-GMSGAONNSA-N 313.810 2.050 0 40 DEAB CCCn1nc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)ccc1=O 102402244 JZTMKUWNIDZHGZ-DGAVXFQQSA-N 303.406 2.208 0 40 DEAB COc1ccc(-n2cc(C(=O)NCCc3ccccc3)nn2)cc1 57511601 JBXICAISZMDGHD-UHFFFAOYSA-N 322.368 2.248 0 40 DEAB biogenic Cc1cccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 26886807 KIRUQKVAXDBKGP-BBRMVZONSA-N 304.415 2.065 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)NCCc1c[nH]c2ccccc12 62001814 LNZHJJDGUYRQQP-KBPBESRZSA-N 300.358 2.183 0 40 DEAB biogenic O=C(NC1CCN(Cc2ccccc2)CC1)c1cncc(O)c1 109040589 GOAOQOYOGNWONZ-UHFFFAOYSA-N 311.385 2.182 0 40 DEAB Cc1ccc(NC(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1 58023414 ZSNYQPFWVRKBHQ-AWEZNQCLSA-N 302.378 2.017 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)cc1C 58264052 YBRCIFFADDZLNY-LLVKDONJSA-N 315.826 2.377 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)OCC(F)(F)F 48276375 UGZKDLNEBCKALV-UHFFFAOYSA-N 305.252 2.289 0 40 DEAB CCn1c(=O)n(CC(=O)NCc2ccccc2)c2ccccc21 10745179 PTMBPNFGGSIBOD-UHFFFAOYSA-N 309.369 2.139 0 40 DEAB Cc1nnc(CNC2(c3cccc(F)c3)CCOCC2)n1C 95418660 RLMXWZACMYXWHY-UHFFFAOYSA-N 304.369 2.058 0 40 DEAB C[C@@H](C(=O)NC[C@@H](C)N1CCc2sccc2C1)n1cccn1 48362193 OMJKRHNJJBSSMU-OLZOCXBDSA-N 318.446 2.069 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCn1ccnc1 48309133 FWGMYKJUNJHWHJ-BZUAXINKSA-N 307.438 2.477 0 40 DEAB CCOc1cc2c(cc1NC(=O)c1ccc(O)nn1)O[C@@H](C)C2 29098614 KTNCHTYHRBVWOV-VIFPVBQESA-N 315.329 2.157 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)o1 48300898 LZXOBPHYUFOYSU-XMTSADOLSA-N 323.414 2.062 0 40 DEAB O=C(NC1=NCCS1)c1ccc(OC[C@H]2CCCO2)cc1 2664415 RGRHWRNLWGOCRF-CYBMUJFWSA-N 306.387 2.077 0 40 DEAB COc1ccc(C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)cc1 2632292 DQBMEBOKCRYHER-AWEZNQCLSA-N 306.406 2.364 0 40 DEAB COc1ccccc1NC(=O)C[C@@H]1Nc2ccccc2OC1=O 10325449 KTJNLVGWZDVLCX-ZDUSSCGKSA-N 312.325 2.424 0 40 DEAB C[C@@H]1CN(C(=O)CSc2ncnc3sccc23)C[C@@H](C)O1 3495824 OCQCMNWIQRZMKJ-NXEZZACHSA-N 323.443 2.419 0 40 DEAB CNC(=O)C1CCN(C(=O)c2ccc3[nH]c(C)c(C)c3c2)CC1 12951596 AYIMCLNPUJEUFB-UHFFFAOYSA-N 313.401 2.383 0 40 DEAB COC(=O)C[C@@H](NC(=O)c1scnc1C)c1ccccc1 48735828 HAHAGGIWZZHWAP-GFCCVEGCSA-N 304.371 2.486 0 40 DEAB O[C@@H](COCc1cccs1)CN1CCC(c2cn[nH]c2)CC1 97200412 KVJDEASMASFQKL-OAHLLOKOSA-N 321.446 2.228 0 40 DEAB O=C(COc1ccc(C(=O)O)cc1)NCc1ccc(F)cc1 13079849 OSDOOFODVGFHNY-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB CN(Cc1ccc(S(=O)(=O)N(C)C)o1)CC1CCCC1 64014399 VGBLFJHPAKWHBT-UHFFFAOYSA-N 300.424 2.152 0 40 DEAB Cn1c(Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O 6219126 KOBDIKZNYQPOJS-UHFFFAOYSA-N 301.129 2.183 0 40 DEAB CCNC(=O)[C@H]1CCCN(C(=O)c2cnc(C(C)(C)C)s2)C1 65498128 JLIOBHVAUMXZKT-NSHDSACASA-N 323.462 2.429 0 40 DEAB S=C(NCCc1c[nH]c2ccccc12)NC[C@H]1CCCO1 6333437 JIKPSEVNIMSVRJ-CYBMUJFWSA-N 303.431 2.354 0 40 DEAB CC(C)[C@H]1CCCN1C(=O)c1ccc2c(=O)[nH]c(S)nc2c1 65520917 JONIPEILWONZHA-CYBMUJFWSA-N 317.414 2.472 0 40 DEAB CCS(=O)(=O)NC[C@@H]1CCN(c2cc(Cl)ccc2C)C1 65550581 SINYMOUWQKPJNJ-LBPRGKRZSA-N 316.854 2.414 0 40 DEAB COC[C@@]1(C)NC(=O)N(Cc2ccc(C(C)(C)C)cc2)C1=O 66083686 SKNQJQAPYSTWGK-QGZVFWFLSA-N 304.390 2.441 0 40 DEAB CCn1c(CN2CCCC[C@@H]2C(N)=O)nc2cc(F)ccc21 66828580 WCXHFQRTYWFACQ-CQSZACIVSA-N 304.369 2.035 0 40 DEAB O=S(=O)(c1ccccc1F)N1CCN(c2ccccc2)CC1 7059312 YGEQXCNYEHEPOI-UHFFFAOYSA-N 320.389 2.337 0 40 DEAB O=C(Cn1cncn1)Nc1nnc(-c2cccc(Cl)c2)s1 68011534 WEBNIMOFRJMJGY-UHFFFAOYSA-N 320.765 2.089 0 40 DEAB CS[C@@H](C)C(=O)N1CCN(c2nc3cccnc3s2)CC1 68487617 GLRFVGNGVPYNLS-JTQLQIEISA-N 322.459 2.091 0 40 DEAB O[C@@H](COc1cccc2ccccc12)CN1CC(n2cccn2)C1 71877117 WRYDVDSDMCLABU-QGZVFWFLSA-N 323.396 2.333 0 40 DEAB CN(C[C@@H]1CCCN1c1cccnn1)C[C@H](O)c1ccccc1 71859991 GUEZXRZOBJZBSR-IRXDYDNUSA-N 312.417 2.111 0 40 DEAB CCC[C@@H](C)CS(=O)(=O)NCCc1cn2c(n1)CCCC2 71904684 GJRNDXZXTGAXTH-CYBMUJFWSA-N 313.467 2.118 0 40 DEAB COCc1ccc(CNC[C@@H]2CNc3cc(C)nn3C2)cc1 69491222 OBVCEROXCDBPNQ-MRXNPFEDSA-N 300.406 2.169 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@H](n2cccn2)C1 69432229 QAJWQQZOGNDSHY-ZDUSSCGKSA-N 307.357 2.304 0 40 DEAB C[C@@H](CCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1 69624089 BPKLWSPWPRIMND-ZDUSSCGKSA-N 303.406 2.087 0 40 DEAB O=C(c1[nH]nc2ccccc12)N1CCC(Nc2cccnn2)CC1 69841041 APIUOIVFXPFULA-UHFFFAOYSA-N 322.372 2.070 0 40 DEAB O=C(NCc1ccccc1Cl)c1ccc(-c2nnn[nH]2)cc1 8723779 BCYAKTDUZVKSDK-UHFFFAOYSA-N 313.748 2.450 0 40 DEAB CC(C)c1ccc(NC(=O)[C@H]2CCCN2S(C)(=O)=O)cc1 8877448 IUANJMOMVUWUTD-CQSZACIVSA-N 310.419 2.173 0 40 DEAB Cc1nc(N2CCNC(=O)CC2)c2c3c(sc2n1)CCCC3 8848393 PUNIWWIFTOBMLO-UHFFFAOYSA-N 316.430 2.205 0 40 DEAB O=C(Cc1ccon1)NC[C@@H](O)c1cc2ccccc2s1 95417058 BZTKWGBJAMLLSG-GFCCVEGCSA-N 302.355 2.282 0 40 DEAB CCS(=O)(=O)N1c2ccc(C(=O)NCC(C)C)cc2C[C@H]1C 20448843 GHNSRUBKVWMOGV-GFCCVEGCSA-N 324.446 2.173 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 95962134 ZAVYWJKILKFIMV-KBPBESRZSA-N 321.808 2.465 0 40 DEAB CC(=O)N1CCc2cc(C(=O)NCC3(O)CCCCC3)ccc21 75144565 MFMAFLGLSXAAJA-UHFFFAOYSA-N 316.401 2.021 0 40 DEAB O=C(NCCc1ccco1)Nc1cc(C(F)(F)F)c[nH]c1=O 75123315 MNDDNAUACUSSMF-UHFFFAOYSA-N 315.251 2.351 0 40 DEAB CCC(=O)N1CCCN(C(=O)[C@@H]2CSc3ccccc32)CC1 89941708 KSBXFPIEKVDOPT-CQSZACIVSA-N 318.442 2.347 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc2nncn2c1 75602121 WZHOTUGORDSUKT-CQSZACIVSA-N 324.388 2.057 0 40 DEAB Cc1cccc(/C=C/C(=O)N2CC[C@@H](CN3CCOCC3)C2)c1 76041708 RIANUNRWILABCF-QWNKOJSDSA-N 314.429 2.189 0 40 DEAB Cc1n[nH]c([C@H]2CN(Cc3ccc(OC(C)C)cc3)CCO2)n1 76048198 PCVCTZXDPGMZHV-MRXNPFEDSA-N 316.405 2.474 0 40 DEAB COCCN1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1 72383546 DYLZSZAAOQCMLZ-AWEZNQCLSA-N 314.389 2.490 0 40 DEAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccnc2)C1=O 409018176 YBPNISAPSXJUIL-MXFUOJGSSA-N 306.343 2.070 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)O 2125886 GYHAWRDFSMFCKS-AAEUAGOBSA-N 323.370 2.137 0 40 DEAB biogenic CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H]2c2ccc(O)nn2)C1 530079628 MUEXKDAPNBUCFJ-BZPMIXESSA-N 305.378 2.051 0 40 DEAB Cn1ccc2ccc(NCc3nnnn3C3CCOCC3)cc21 559417747 MJDBLJIIJHOEQF-UHFFFAOYSA-N 312.377 2.128 0 40 DEAB CC(=O)c1ccccc1C(=O)N1CC(=O)N(C(C)C)C(C)(C)C1 74147877 PYHYICYRTNGNEV-UHFFFAOYSA-N 316.401 2.361 0 40 DEAB CNc1cc([C@H]2CN(Cc3csc(C)n3)CCO2)nc(C)n1 72387832 IJLSAEKQJCVKPQ-CQSZACIVSA-N 319.434 2.165 0 40 DEAB Cc1cc(O)nc(N2CCC(O)(Cc3cccc(F)c3)CC2)n1 1548515988 KZIJEGDXGXGCKN-UHFFFAOYSA-N 317.364 2.204 0 40 DEAB O=S(=O)(NC[C@H](O)c1cccs1)c1ccccc1Cl 74559022 KZVMPSKTSNBUOW-JTQLQIEISA-N 317.819 2.413 0 40 DEAB CCNC(=O)c1ccc(NC[C@H](O)c2cccc(F)c2)nc1 79030983 GSPNQVNQLUBFJQ-AWEZNQCLSA-N 303.337 2.116 0 40 DEAB Cc1cc(C(=O)NC[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)on1 187758377 KXDSITGNBZUYGE-BXKDBHETSA-N 306.284 2.196 0 40 DEAB CC(=O)Nc1nc(CC(=O)NCCc2cccs2)cs1 44174798 GUEYQRXHQGULDZ-UHFFFAOYSA-N 309.416 2.064 0 40 DEAB CCOCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC 222750439 HHRKEGCHOWTJFI-OAHLLOKOSA-N 320.433 2.357 0 40 DEAB C[C@@H]1CCNC(=O)[C@@H]1NC(=O)NCCCc1cccc(Cl)c1 193817300 JRLJTWVUZVTGNJ-BXUZGUMPSA-N 323.824 2.096 0 40 DEAB CCOC(=O)c1cc(N)n(-c2cccc(Br)c2)n1 82822211 IZBGPGGLDIXCCH-UHFFFAOYSA-N 310.151 2.394 0 40 DEAB Cc1c(C(=O)N[C@H](C)C(C)C)cccc1N(C)S(C)(=O)=O 225228645 SVBPBCKABAJMAG-GFCCVEGCSA-N 312.435 2.165 0 40 DEAB S=C(NCCCN1CCCC1)Nc1ccc2c(c1)OCO2 225433071 PVNNZOOIZBDSGL-UHFFFAOYSA-N 307.419 2.188 0 40 DEAB Cc1cc(N2CCN(CC(F)(F)F)CC2)nc(C2CC2)n1 265388511 STOBDRKIJDXKHO-UHFFFAOYSA-N 300.328 2.347 0 40 DEAB O=C(NCc1cnn2c1CCCC2)c1cccc(-n2cccn2)c1 225611238 YDCFEHNXFSKBJP-UHFFFAOYSA-N 321.384 2.335 0 40 DEAB CC[C@@H]1CCC[C@H](NC(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)C1 195530740 ONZAQKNPCYRFRR-FQUUOJAGSA-N 316.467 2.172 0 40 DEAB CN([C@@H]1CCOC1)S(=O)(=O)c1ccc(CC(F)(F)F)cc1 195579935 FGMUPODAGBOXPQ-LLVKDONJSA-N 323.336 2.201 0 40 DEAB O=C1OCCN1CCN1CCC(Oc2ccc(F)cc2)CC1 96406606 JJOOUHUKMNOUCM-UHFFFAOYSA-N 308.353 2.121 0 40 DEAB Cc1cccnc1N1CC2(CCN(C(=O)c3cscn3)C2)C1 96070914 BSGYUAAGQHPREH-UHFFFAOYSA-N 314.414 2.199 0 40 DEAB O=C1[C@H]2CN(Cc3ccccc3)C[C@H]2CN1Cc1ccncc1 96245149 SLQBCQMLTDHWEI-ROUUACIJSA-N 307.397 2.172 0 40 DEAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(Cc1cnn(C)c1)C2 96040498 NCVIWKLYIGJRTJ-SJORKVTESA-N 307.438 2.216 0 40 DEAB CCc1cnc(N2CCC3(CC2)CC(N2CCOCC2)C3)nc1 96159236 CSLOCAMRMMKPMH-UHFFFAOYSA-N 316.449 2.120 0 40 DEAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1cnn(C)c1 96439238 LRLBYWNPMOUAHT-YDHLFZDLSA-N 308.426 2.376 0 40 DEAB O=C1CCCCN1CN1c2cccc3cccc(c23)S1(=O)=O 96491084 VHHCZRGVZBECFT-UHFFFAOYSA-N 316.382 2.319 0 40 DEAB O=C(NC[C@H]1OCCc2cn(CC3CC3)nc21)c1cccs1 96044370 CEUFMOFSTOCBDT-CYBMUJFWSA-N 317.414 2.398 0 40 DEAB Cc1cnc2n1CCN(C)C21CCN(Cc2ccco2)CC1 96036992 YQIBMYOEZHCJDC-UHFFFAOYSA-N 300.406 2.221 0 40 DEAB O=C(Cn1cccn1)N1C[C@@H](c2ccccc2)[C@@H]2NCCCC[C@@H]21 257265120 LXJXIMLBTOBXBP-LNLFQRSKSA-N 324.428 2.020 0 40 DEAB c1cnc(C2CCN(Cc3ccnc(N4CCCC4)n3)CC2)cn1 257233980 GRORLRPKDQKVPJ-UHFFFAOYSA-N 324.432 2.246 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cnc(O)c(Cl)c2)C1 257263942 LSDQRUKZNSYAMC-JTQLQIEISA-N 320.780 2.492 0 40 DEAB COc1cccc(C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)c1 263533716 NPHFZXKXRYYLNU-CABCVRRESA-N 303.358 2.122 0 40 DEAB CO[C@@]1(CNC(=O)c2cc3ccccc3oc2=O)CCSC1 96097608 PLZPZRIGTVZDRG-MRXNPFEDSA-N 319.382 2.045 0 40 DEAB CCc1ncsc1-c1nc(Cc2cccc(C(N)=O)c2)no1 390834357 WZDIIOBVBQTZHV-UHFFFAOYSA-N 314.370 2.445 0 40 DEAB CO[C@]1(COc2ccccc2C)CCN(Cc2cnccn2)C1 585273212 BERDNJGNPJOHHH-GOSISDBHSA-N 313.401 2.455 0 40 DEAB 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C[C@@H]1CN(C[C@H](O)COCC[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 252504459 BTWIPZIBMYFMPI-LMMHAMTPSA-N 311.466 2.299 0 40 DEAB CN1CCC(NC(=O)c2ccc(-c3cncs3)nc2)CC1 257333956 YDVUHXFADCCRNC-UHFFFAOYSA-N 302.403 2.029 0 40 DEAB CSCc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)o1 26952234 JYHZLMZJCPMYTL-UHFFFAOYSA-N 306.387 2.378 0 40 DEAB CNC(=O)C[C@@H]1CN(Cc2cccc3[nH]ccc23)Cc2ccnn21 585112491 QBQFTGVPKZURSO-OAHLLOKOSA-N 323.400 2.057 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCC(F)(F)F 79452609 SVLCWHFVLOFWHA-VIFPVBQESA-N 310.316 2.455 0 40 DEAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1ccc[n+]([O-])c1 95954365 FXBDGBKXXHBJEF-CVEARBPZSA-N 316.332 2.109 0 40 DEAB CN(c1nc2ccccc2o1)C1CN(c2cc3c(nn2)CCC3)C1 585590739 IFWIPXBGRDDYEE-UHFFFAOYSA-N 321.384 2.432 0 40 DEAB Cn1nccc1CNS(=O)(=O)c1ccc2ccccc2c1 14239051 KYYVPIJYARFPHX-UHFFFAOYSA-N 301.371 2.052 0 40 DEAB NNc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1 15424512 AVUVNLVAUWFSQZ-UHFFFAOYSA-N 304.712 2.464 0 40 DEAB CCc1nnc(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)[nH]1 7342459 FYDQNLYJNFMTDF-YFHOEESVSA-N 320.330 2.493 0 40 DEAB CO[C@@](C)(CNC(=O)NC1CCOCC1)c1ccccc1F 225558486 WOJHVYHITVYHDR-INIZCTEOSA-N 310.369 2.166 0 40 DEAB O[C@@H]1[C@@H](CNCc2ncc[nH]2)CCC[C@H]1Oc1ccc(F)cc1 643585409 HWSPWBJJPMQNTB-SRCQZFHVSA-N 319.380 2.247 0 40 DEAB O=C(N1CC[C@@H](n2nccn2)C1)C12CC3CC(CC(C3)C1)C2 240067774 SAWRHYCGJFVJSK-UZZMVUAXSA-N 300.406 2.268 0 40 DEAB Cc1ccnc(OC[C@@]23CCC[C@@H]2CN(c2ncccn2)C3)n1 1888860262 JCQIVNHCLPVJSB-PBHICJAKSA-N 311.389 2.261 0 40 DEAB COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3 497831 GRWLZQHDZLJPMI-UHFFFAOYSA-N 309.416 2.417 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]cc1Br 28233302 UANCNJIIYJASGT-UHFFFAOYSA-N 324.134 2.196 0 40 DEAB COc1cc(C)n(CCNC(=O)/C=C/c2cccs2)c(=O)c1 253474814 KSTUJUSUWKVSPQ-AATRIKPKSA-N 318.398 2.056 0 40 DEAB CN(C)Cc1cnc2n1CCN(C(=O)[C@]1(C)CC=CCC1)CC2 1565543074 QLNDIVACJJXZQB-GOSISDBHSA-N 316.449 2.076 0 40 DEAB Cc1ccc(CC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 1565543190 OSYIQJRQGDRBDS-UHFFFAOYSA-N 314.429 2.399 0 40 DEAB Cc1ccc(C)c(-c2ccc(=O)n(CC(=O)N3CCCC3)n2)c1 5410081 DSKWJCYTMMWTQN-UHFFFAOYSA-N 311.385 2.150 0 40 DEAB CCOc1ccccc1NC(=O)CSc1nnc(C)c(O)n1 13452905 WIZXMHPGFWSPSE-UHFFFAOYSA-N 320.374 2.015 0 40 DEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(Cc2ccco2)C1 2055750917 MTROKWRODRSKFU-KRWDZBQOSA-N 317.364 2.221 0 40 DEAB Cc1nccc(O[C@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 575609611 NNNOVHSCCLHGAP-AWEZNQCLSA-N 317.414 2.459 0 40 DEAB CCOC(=O)[C@H](C)n1cnc2sc3c(c2c1=O)CCCC3 144628 ZNIUYXPVSAWIAR-VIFPVBQESA-N 306.387 2.461 0 40 DEAB CC(C)N(C[C@@H]1C[C@H]2C=C[C@H]1C2)S(=O)(=O)c1cnn(C)c1 101069244 RFAQYCULRFSWQJ-IHRRRGAJSA-N 309.435 2.031 0 40 DEAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(C)O2)cc1 101136510 INNBGZYVIPYMGZ-BASYENTBSA-N 313.353 2.308 0 40 DEAB C[C@H](OC(=O)c1cc2ccccc2n1C)C(=O)Nc1ncccn1 52241079 BFKYUUBDMCPEPU-NSHDSACASA-N 324.340 2.152 0 40 DEAB Cc1cc(=O)n2nc(Sc3ncc4ccccn34)sc2n1 32824965 IGCIZITZHOICBF-UHFFFAOYSA-N 315.383 2.258 0 40 DEAB CC(=O)Nc1nc(C(=O)N(Cc2ccco2)C2CC2)cs1 33007634 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Cc1ccnc(NC(=O)C[C@@H](NC(N)=O)c2ccccc2F)c1 44918214 BAXKYKGKFASSBQ-CYBMUJFWSA-N 316.336 2.267 0 40 DEAB O=C(Cn1cnnn1)Nc1cc(Cl)c(Cl)cc1Cl 27977812 DERXKJQNVBRXSL-UHFFFAOYSA-N 306.540 2.272 0 40 DEAB CCN1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)CC1 48369589 SFTNGLZZIMMWSS-UHFFFAOYSA-N 316.380 2.163 0 40 DEAB O=C(NC[C@H]1CCCO1)Nc1ccn(Cc2ccccc2)n1 48353591 ZLQVVDFTNYWZNQ-CQSZACIVSA-N 300.362 2.232 0 40 DEAB c1ccc(-n2cc(Cn3nccc3NCc3ncc[nH]3)cn2)cc1 95442662 UCVRKCGZOCOGMZ-UHFFFAOYSA-N 319.372 2.452 0 40 DEAB COC(C)(C)CNC(=O)N1CCO[C@]2(CCc3ccccc32)C1 95435257 IDPUKBPQEMXNQS-GOSISDBHSA-N 318.417 2.295 0 40 DEAB c1ccc(-n2ncc3c(N4CC[C@]5(CCOC5)C4)ncnc32)cc1 95410704 QJKPFGJHFDEYBN-SFHVURJKSA-N 321.384 2.432 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1ncc(Cl)c(Cl)c1=O 2647277 KLUQXBSDAWQRHL-WPRPVWTQSA-N 318.204 2.245 0 40 DEAB Cc1n[nH]c2c1[C@@H](c1ccc(C(=O)O)cc1)SCC(=O)N2 21525136 AXXQHKNPESQZIY-GFCCVEGCSA-N 303.343 2.191 0 40 DEAB CCOC(=O)CN(C)C(=O)Cc1nc(-c2ccccc2)oc1C 63485485 XTQGXKUUWJXUAK-UHFFFAOYSA-N 316.357 2.214 0 40 DEAB Cc1cc(C[S@@](=O)CC(=O)Nc2c(C)cccc2C)no1 64811802 PMRZSFVCNCJELP-NRFANRHFSA-N 306.387 2.487 0 40 DEAB COc1ccc(CNC(=O)c2c(N)oc3ccccc3c2=O)cc1 5031557 HIBZVOQZITZONJ-UHFFFAOYSA-N 324.336 2.314 0 40 DEAB COCC[C@@H]1COC2(CCN(C(=O)c3cccc(O)c3)CC2)C1 63527199 YEDGAMAWESDOQX-AWEZNQCLSA-N 319.401 2.440 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NCc2ccccn2)[C@@H]1C 13940872 IYLTVKSYFBUDOC-FMKPAKJESA-N 317.433 2.419 0 40 DEAB Cc1nc(CCNC(=O)c2ccc3c(c2)OCCO3)cs1 65447032 GGIJPXOJUOWWHX-UHFFFAOYSA-N 304.371 2.195 0 40 DEAB O=C(Nc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1 4833600 VGXSWBPKWNEUTC-LBPRGKRZSA-N 304.371 2.148 0 40 DEAB Cc1ccc2c(c1)OCC(=O)N2CC(=O)NCc1ccccc1 4929607 YMUYDGBGYXMZNS-UHFFFAOYSA-N 310.353 2.037 0 40 DEAB CC[C@@H](Oc1ccccc1F)C(=O)NCCCn1ccnc1 4945481 KHRNODKWMRNBCI-CQSZACIVSA-N 305.353 2.386 0 40 DEAB Cn1ccnc1-c1ccc(NC[C@@H]2COc3ccccc3O2)nn1 67675751 FJSUPHWOAQPWOT-GFCCVEGCSA-N 323.356 2.129 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C=C(C1CC1)C1CC1 80320162 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Cc1ccc(-c2cn3nnc(C(=O)N4CCCC4)c3c(O)n2)cc1 71328532 BGPPDJXSERGEPX-UHFFFAOYSA-N 323.356 2.041 0 40 DEAB CCc1ccc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)cc1 32081716 FHAAJXBKZPPSFB-UHFFFAOYSA-N 318.398 2.457 0 40 DEAB CCN(CC)S(=O)(=O)CC(=O)Nc1cc(F)ccc1Cl 73339450 ZAAIVZVHPBJJMR-UHFFFAOYSA-N 322.789 2.089 0 40 DEAB O=C(COc1ccccc1)NC[C@@](O)(c1ccco1)C1CC1 75154874 YWWJTCDHYLQRLO-KRWDZBQOSA-N 301.342 2.072 0 40 DEAB COc1cc(Nc2ncnc3[nH]c(C)nc23)cc(OC)c1OC 41121217 XSHQIRKUQLTVRQ-UHFFFAOYSA-N 315.333 2.431 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccco1 225486070 BNOKTFGDVCAXRL-GXTWGEPZSA-N 301.342 2.430 0 40 DEAB Nc1cccc(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 45795901 QLJMORWZFXUBIH-UHFFFAOYSA-N 315.417 2.134 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CCCNc2ncccn2)cc1 45762374 GXEKTIBACYBZRG-UHFFFAOYSA-N 313.361 2.266 0 40 DEAB CCc1nc(C)cc(N2CCC[C@@H]2C(=O)NCc2ccco2)n1 225817303 KMMFNYVBLBJWJH-CQSZACIVSA-N 314.389 2.226 0 40 DEAB CCOc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224076391 FWFNEHUJKJZFMW-UHFFFAOYSA-N 317.345 2.162 0 40 DEAB Cn1cc(CCCOC(=O)c2cc(Br)c[nH]2)cn1 63945085 VXDVGFNEGWEPFC-UHFFFAOYSA-N 312.167 2.300 0 40 DEAB COc1ccc2c(c1)N(C(=O)Cn1ncc3ccccc31)CCO2 81279004 REEYKXMEDOBABU-UHFFFAOYSA-N 323.352 2.471 0 40 DEAB O=C(CC1=CCCCC1)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414048 GVNAXFQRUYQZEC-NSHDSACASA-N 304.312 2.156 0 40 DEAB C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)CC1(Cl)Cl 96486063 UJAMNHLMZCYHBY-DMDPSCGWSA-N 300.185 2.345 0 40 DEAB Cc1csc(COC(=O)c2ccccc2Cn2cncn2)n1 96442919 YSGKAOHENAMMRN-UHFFFAOYSA-N 314.370 2.448 0 40 DEAB COc1ccc2nc(C)cc(C(=O)N[C@@H]3CCCOC3)c2c1 96422341 ZPBVOYCNJPBMGZ-GFCCVEGCSA-N 300.358 2.461 0 40 DEAB C[C@@](NCc1nc2ccc(F)cc2o1)(C(N)=O)c1ccccc1 96466195 KVJAETMBJJZUHO-KRWDZBQOSA-N 313.332 2.457 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)COc3ccccc3)CC2)CO1 96219825 LWNSXAGBAXPQII-MRXNPFEDSA-N 319.401 2.110 0 40 DEAB Cc1cccc(NS(=O)(=O)c2cnc3onc(C)c3c2)n1 96408029 KKTIZEUGQAWJTF-UHFFFAOYSA-N 304.331 2.035 0 40 DEAB Cc1cn2c(=O)c(C(=O)Nc3nc(C)c(C)s3)cnc2s1 91167972 DRDHNYKVCAZBCJ-UHFFFAOYSA-N 320.399 2.390 0 40 DEAB COC(=O)C[C@H](c1ccncc1)c1c(O)ccc2nsnc12 96232376 STEIAKIVDQSMQZ-SNVBAGLBSA-N 315.354 2.487 0 40 DEAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2cccs2)C3)nc1 247838068 OCJRPKWXABHXFN-ZDUSSCGKSA-N 317.414 2.351 0 40 DEAB c1cnc(O[C@@H]2CCOC3(C2)CN(Cc2ccsc2)C3)nc1 253598548 OSSYECYGOFBHNU-CQSZACIVSA-N 317.414 2.351 0 40 DEAB C[C@@H](NC(=O)c1ncc2ccccn12)c1ccc2c(c1)CC(=O)N2 1543068163 JDKMXNCXSORIFC-LLVKDONJSA-N 320.352 2.320 0 40 DEAB O=C(C1CCOCC1)N1CCOC[C@@H](Cc2ccccc2)C1 257306567 SUVNZNPVRJFUEQ-INIZCTEOSA-N 303.402 2.131 0 40 DEAB Oc1cc(C[C@@H]2COCCN(Cc3ccc(F)cc3)C2)ncn1 257275936 NRPPKOPAUINZLT-AWEZNQCLSA-N 317.364 2.012 0 40 DEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)O)cnn1C(C)C 262872830 GDZPRTGXWYBEDM-SGMGOOAPSA-N 305.378 2.098 0 40 DEAB COc1cc(C(=O)O)ccc1NC(=O)c1ccn(C(C)C)n1 263035333 VFDUUENAPNIOSH-UHFFFAOYSA-N 303.318 2.423 0 40 DEAB CC(C)c1ccc([C@H](N)CNC(=O)c2csc(CN)n2)cc1 262523997 ZGQGVAKUTUGCLJ-CYBMUJFWSA-N 318.446 2.155 0 40 DEAB CC(C)OC(=O)NC1CC2(CCN(Cc3nccn3C)CC2)C1 585102935 JPDOPMSSCYQMSC-UHFFFAOYSA-N 320.437 2.299 0 40 DEAB Cn1cccc1C(=O)N1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 585275394 BFHAOCCDRBQRFI-IRXDYDNUSA-N 316.376 2.372 0 40 DEAB NC(=O)c1ccccc1OCc1noc(-c2cccs2)n1 31638370 JOVYHNAKZYFFNM-UHFFFAOYSA-N 301.327 2.476 0 40 DEAB Cc1noc(C)c1C[C@@H](C)NC(=O)NCCCCn1ccnc1 71915881 HSNNSXQDQLJEKZ-GFCCVEGCSA-N 319.409 2.199 0 40 DEAB Cc1ccc(F)cc1NC(=O)Cn1cnc2c(c1=O)CCCC2 49404581 SHEXFLRDWFSRSI-UHFFFAOYSA-N 315.348 2.208 0 40 DEAB COc1cc(NC(=O)N[C@H]2CCC[C@H](O)C2)cc(OC)c1OC 75156814 DMXDITIEDIBRLO-JQWIXIFHSA-N 324.377 2.137 0 40 DEAB O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)C1CC1 96121531 VAMIFDFMQWDUPS-UHFFFAOYSA-N 301.312 2.307 0 40 DEAB O=C(O)Cn1c(I)cc2ccccc21 36451595 JKPURTUDFGOUBS-UHFFFAOYSA-N 301.083 2.331 0 40 DEAB CCC(=O)N(CCOC)c1nc2c(s1)CCc1c-2cnn1C 12146076 QHWLRFGERAUDHY-UHFFFAOYSA-N 320.418 2.032 0 40 DEAB CNC(=O)Cc1ccc(NC(=O)COc2ccccc2C)cc1 13716986 YYKBXWFUBLAMKS-UHFFFAOYSA-N 312.369 2.301 0 40 DEAB COc1c(Cl)c(-c2cc(CO)on2)c(OC)c2c1OCO2 15082565 ZJKFDTGQRCAQJF-UHFFFAOYSA-N 313.693 2.233 0 40 DEAB Cc1ccc([C@H](O)c2nnc([C@H](O)c3ccc(C)cc3)nn2)cc1 17004147 YRTDNQDWZVODPH-IYBDPMFKSA-N 322.368 2.047 0 40 DEAB Cc1cccc(C(=O)NCc2nnc(-c3cnc(C)cn3)o2)c1 19234438 IMWONJFFRDXJOA-UHFFFAOYSA-N 309.329 2.073 0 40 DEAB Cc1nccn1C[C@H](C)C(=O)N[C@H](C)CN1CCCCCC1 19287743 ZFUQJLBEIJNEON-LSDHHAIUSA-N 306.454 2.208 0 40 DEAB C[C@H](Cc1ccccn1)NC(=O)c1ccccc1Cn1cncn1 19457096 PKEIFAQXNCDZTI-CQSZACIVSA-N 321.384 2.082 0 40 DEAB C[C@@](O)(CNC(=O)NC1CCOCC1)c1cc2ccccc2o1 225559392 CFGNTFNGKHRPGW-QGZVFWFLSA-N 318.373 2.119 0 40 DEAB CSc1cccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)c1 253399407 JBXPHZQDCSQNGP-SNPRPXQTSA-N 307.415 2.475 0 40 DEAB NC(=O)c1ccccc1OCC(=O)N[C@H](c1ccccc1)C1CC1 21549835 WFFDIGWGZPLMOD-GOSISDBHSA-N 324.380 2.432 0 40 DEAB O=C(Nc1ccc(-n2cncn2)nc1)c1cc(F)ccc1F 24886696 GEYAGVHSMPMIDM-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)c1nnc(-c2ccccc2)o1 154740 QIAXQPFSONDCEW-UHFFFAOYSA-N 323.308 2.395 0 40 DEAB c1ccc2nc(NCc3ccnc(N4CCOCC4)c3)cnc2c1 26717616 WFNQKFCVWGBLIF-UHFFFAOYSA-N 321.384 2.474 0 40 DEAB O=C(NCC1CCN([C@H]2CCOC2)CC1)c1ccc(F)c(F)c1 575415655 MVRANQCSNUEIMX-AWEZNQCLSA-N 324.371 2.196 0 40 DEAB Cc1cc(C)c2c(N)c(C(=O)N3CCC[C@H]3C(=O)O)sc2n1 20436288 ITJZBFQIKZAEDC-VIFPVBQESA-N 319.386 2.185 0 40 DEAB biogenic,in-vitro Cc1ccc(NS(=O)(=O)N2CCC[C@H](C)C2)c(C(=O)O)c1 20559036 UNHPNOLNUYFZAF-NSHDSACASA-N 312.391 2.082 0 40 DEAB O=C(O)[C@H]1CCCN([C@@H](C(=O)O)c2c[nH]c3cc(F)ccc23)C1 20719946 ADMWFFKOZSQJTG-LKFCYVNXSA-N 320.320 2.229 0 40 DEAB CC(=O)N1CCN(C(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)CC1 32873677 UXIVAOCEFFUPSJ-XARUKTKKSA-N 302.374 2.107 0 40 DEAB O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1CCCC1 52608747 CHQALOQDZAAFGF-UHFFFAOYSA-N 311.385 2.217 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)c2cn3ccc(C)cc3n2)cc1 41467475 YFKSMPUGAHTKOE-MRXNPFEDSA-N 309.369 2.415 0 40 DEAB CN(C)S(=O)(=O)NCC1(c2ccc(Cl)cc2)CCC1 41564973 VNQPIZZONQASPI-UHFFFAOYSA-N 302.827 2.158 0 40 DEAB C[C@@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)C(=O)O 1648580 MSQYDKFOROKUHV-RNFRBKRXSA-N 306.145 2.350 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](NCc3cccn3C)C2)c1 78996554 ZCQSINGKGFQTIG-AWEZNQCLSA-N 315.417 2.411 0 40 DEAB O=C(NCc1ccc(Cl)cc1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 2737718 ZBOPIVKFAMBBNH-XWUBHJNHSA-N 305.761 2.479 0 40 DEAB CCOc1ccc2[nH]c(=O)c(CNC[C@H]3CCCO3)cc2c1 6493513 RIXUAIMNEPAEHA-OAHLLOKOSA-N 302.374 2.195 0 40 DEAB Cc1nc(O)c2c(n1)C[C@@H]1CC[C@@H](C2)N1C(=O)[C@@H]1CC12CCC2 100219937 MEYJDUPBPXBMBS-OBJOEFQTSA-N 313.401 2.139 0 40 DEAB COc1c([C@@H]2CCCN2[C@H](C)c2nc(C)no2)c(C)nn1C 106908333 HZSJYYMIXJTGHN-PWSUYJOCSA-N 305.382 2.327 0 40 DEAB CC(C)[C@H](C)NC(=O)CSc1nnnn1-c1cccc(F)c1 8133726 GVZUCWZUGVAYGI-JTQLQIEISA-N 323.397 2.054 0 40 DEAB CCOC(=O)c1ccc(-n2cc(C(=O)c3cccnc3)nn2)cc1 1403870 IJAWWXQEXBEBSJ-UHFFFAOYSA-N 322.324 2.070 0 40 DEAB CCn1cc(NC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cn1 43645967 VALMCPWCSMBKSS-OAHLLOKOSA-N 319.384 2.467 0 40 DEAB COC(=O)c1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 9876376 HWKDHDWBUVOWEY-LBPRGKRZSA-N 321.446 2.101 0 40 DEAB CC(=O)N[C@@H](CC(=O)Nc1cn[nH]c1)c1ccc(Cl)cc1 48261592 QAXGFFSCOCKQQS-ZDUSSCGKSA-N 306.753 2.269 0 40 DEAB Cc1ccnc2nc(C(=O)N(Cc3ccccc3)C3CC3)nn12 12738978 BXXRZTKNSMCJJX-UHFFFAOYSA-N 307.357 2.238 0 40 DEAB N[C@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 36297612 DZWRGWPEZQASHL-CYBMUJFWSA-N 310.806 2.318 0 40 DEAB in-vitro COc1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1 3369677 MGDXKGWVINECEE-UHFFFAOYSA-N 319.382 2.159 0 40 DEAB COCc1ccc(C(=O)N[C@H](C)c2nnc3ccccn23)cc1 48374574 NWBYPRGWYIRXHQ-GFCCVEGCSA-N 310.357 2.367 0 40 DEAB COc1cccc([C@H]2CC(=O)Nc3c(C(=O)O)nsc32)c1 36559076 YTEFORMPUUJARG-SECBINFHSA-N 304.327 2.324 0 40 DEAB COCCN1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 409147073 URYVKWDUBVVDOC-FLIBITNWSA-N 309.343 2.084 0 40 DEAB COc1cccc(OCCNS(=O)(=O)c2ccccc2)c1 26836535 PHIKUTFRQMSXLL-UHFFFAOYSA-N 307.371 2.053 0 40 DEAB Cc1cccc2sc(NC(=O)CSCC(=O)N(C)C)nc12 8980652 USBIOQDCIQSZHC-UHFFFAOYSA-N 323.443 2.365 0 40 DEAB Cc1ccc(C)c(NC(=O)CSc2nnc(C)c(O)n2)c1 5045242 NODFZVDLZPZGFO-UHFFFAOYSA-N 304.375 2.233 0 40 DEAB O=C(CCS(=O)(=O)c1ccccc1)NCc1ccccc1 4348172 TWKDDNZOGNIGPL-UHFFFAOYSA-N 303.383 2.167 0 40 DEAB O=C(CCCOc1ccc(F)cc1)N[C@H]1CCc2nccn2C1 65465696 GXJFLQDDUIDFSZ-AWEZNQCLSA-N 317.364 2.312 0 40 DEAB COc1cc(NC(=O)c2cc(C(C)=O)c[nH]2)cc(OC)c1OC 14122265 OLZWLEFUCWVDQK-UHFFFAOYSA-N 318.329 2.495 0 40 DEAB NC(=O)N[C@H](CC(=O)NCc1ccccc1F)c1cccs1 14349162 AARQHJUSALYHEI-GFCCVEGCSA-N 321.377 2.303 0 40 DEAB Cc1nc([C@H]2CN(C(=O)C(C)(C)c3ccccc3)CCO2)no1 96000730 RKWCUNCERQDIDN-CQSZACIVSA-N 315.373 2.256 0 40 DEAB CC(C)S(=O)(=O)NC[C@@H]1CCCN([C@H]2C=CCCC2)C1 66497236 VREGBTOHCPMNFJ-GJZGRUSLSA-N 300.468 2.135 0 40 DEAB O=C(c1ccc2c(c1)CCC2)N1CCN(C(=O)c2ccco2)CC1 15480126 YNGCKKBLIQYBSX-UHFFFAOYSA-N 324.380 2.367 0 40 DEAB CC1=C(c2ccc(F)c(F)c2)N2CCS(=O)(=O)N=C2S1 7718601 PWWZOVJTBMWLTJ-UHFFFAOYSA-N 316.354 2.402 0 40 DEAB COC(=O)[C@@H](NC(=O)/C=C\c1csc(C)n1)c1ccccc1 96256291 NHYPLVXUQNGUFB-CDNLZTBQSA-N 316.382 2.495 0 40 DEAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1 16453731 BFFJMTACUYSBHC-GFCCVEGCSA-N 319.434 2.359 0 40 DEAB O=C(CCc1cc(Cl)no1)N1CCO[C@@H](C(F)(F)F)C1 71750387 RVVBRXJHRPGCKO-MRVPVSSYSA-N 312.675 2.050 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)o1 96426954 OVDYKXBAEZNRSG-URWSZGRFSA-N 319.430 2.237 0 40 DEAB COc1cccc(NC(=O)c2c(O)c3c([nH]c2=O)CCCC3)c1 17124678 IPKKSDYWOHAWRQ-UHFFFAOYSA-N 314.341 2.220 0 40 DEAB Cc1cccc(-n2nnc(C(N)=O)c2-c2ccc3c(c2)OCO3)c1 82237884 GBZREACFXQHWBA-UHFFFAOYSA-N 322.324 2.070 0 40 DEAB C[C@H]1CN(Cc2cc(=O)n3ccccc3n2)c2ccccc2O1 69630746 VLSMWGKFXYAXIP-ZDUSSCGKSA-N 307.353 2.482 0 40 DEAB c1cnn(-c2ccc(CN3CCC[C@H]3Cn3cncn3)cc2)c1 69629532 KWLWXODCXSINEV-KRWDZBQOSA-N 308.389 2.128 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@H](CC(N)=O)C1)c1ccsc1 84638357 GNEUSIZDILSFJV-VXGBXAGGSA-N 309.435 2.149 0 40 DEAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(C)s1 72268955 QKDFSZLTQVIQIB-LSDHHAIUSA-N 308.447 2.036 0 40 DEAB CN(C)Cc1cccc(CNC(=O)Nc2nc3ccccn3n2)c1 97136253 SNRICXSJNNEHCT-UHFFFAOYSA-N 324.388 2.113 0 40 DEAB CC[C@@H](C)c1csc(NC(=O)N[C@@H]2CCC(=O)N(C)C2)n1 84726958 UFEHAMZOPFDOOK-NXEZZACHSA-N 310.423 2.399 0 40 DEAB CCNc1nc(C)c(C(=O)N[C@@H](c2n[nH]c(C)n2)C(C)C)s1 84791134 LXNLJUIKISBREO-SNVBAGLBSA-N 322.438 2.437 0 40 DEAB COc1ncnc2c1CN(Cc1nnc(-c3ccccc3)o1)CC2 97202537 KFTOVAGREVDSIS-UHFFFAOYSA-N 323.356 2.094 0 40 DEAB CC[C@@H]1COCCN1C(=O)N[C@@H]1CCCC[C@@H]1n1cccn1 72525256 SHXIQWXVJNVHQE-KFWWJZLASA-N 306.410 2.187 0 40 DEAB O=C(NCc1ccon1)[C@H](O)c1cc(Cl)cc(Cl)c1 95450559 PQJGVBNVIPLBJA-LLVKDONJSA-N 301.129 2.331 0 40 DEAB CCC(CC)N(C)C(=O)[C@H](O)[C@H](O)c1nc2ccccc2s1 95997752 SCUNFWKDBARQSM-UONOGXRCSA-N 322.430 2.338 0 40 DEAB COc1ccc(NC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)cc1 89314119 YFQLKSZYFCMTRT-KBPBESRZSA-N 309.435 2.205 0 40 DEAB CS(=O)(=O)CC1(CNc2ncccc2C(F)(F)F)CC1 89484218 QEPMOKLLQHZKAW-UHFFFAOYSA-N 308.325 2.337 0 40 DEAB Cc1ccc(-c2cnc(CCC(=O)N(C)[C@@H](C)CO)o2)cc1 89641069 FSVUVQJQDPYDEE-ZDUSSCGKSA-N 302.374 2.422 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCc3c(F)cccc32)C1 89919431 HTIODCKYSRPITK-RHSMWYFYSA-N 320.364 2.408 0 40 DEAB C[C@@H](CNC(=O)Cc1ccc(Cl)c(Cl)c1)[S@@](C)=O 89900723 PPLGOGRUNNUGHI-ASCAZGACSA-N 308.230 2.419 0 40 DEAB O=C(CNC[C@H]1CCCO1)Nc1ccccc1Br 20055642 JEFLAPBSFOFYON-SNVBAGLBSA-N 313.195 2.156 0 40 DEAB Cc1oc(-c2cccs2)nc1CC(=O)N1CC(C(C)(C)O)C1 547737710 ZFWHUGRDNQWBHB-UHFFFAOYSA-N 320.414 2.483 0 40 DEAB COc1ccc(CN2C[C@@H]3CCCN3C[C@@H]2C)c(OC)c1OC 72324594 WFZFKCYFUDZFMR-ZFWWWQNUSA-N 320.433 2.381 0 40 DEAB O=C1C[C@H](c2ccc3c(c2)OCO3)c2snc(C(=O)O)c2N1 66091368 GOWOZXIFYFLBLB-SSDOTTSWSA-N 318.310 2.044 0 40 DEAB O=C(O)CN(C[C@H]1CCCN(Cc2ccccc2)C1)C1CC1 79393465 ODVKTMIVOCUGLY-INIZCTEOSA-N 302.418 2.448 0 40 DEAB C[C@H](c1nc(-c2ccc(Br)o2)no1)S(C)(=O)=O 189298554 XPIMIIHIALZPQA-RXMQYKEDSA-N 321.152 2.198 0 40 DEAB COc1cccc(C(=O)N2[C@@H](C(=O)O)COC23CCCCC3)c1 71979756 RTCWHSBUFBQRPW-CQSZACIVSA-N 319.357 2.281 0 40 DEAB O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccnc1 35315589 FLDICUORPAQVFX-UHFFFAOYSA-N 320.352 2.443 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](C)c1c(C)noc1C)C2 72279094 FJQKRKULXKARRX-ZWNOBZJWSA-N 302.378 2.031 0 40 DEAB Cc1cc(C)n(-c2ccc(N3CCC(n4ccnc4)CC3)nn2)n1 77939825 ZNNUYGMPGYEVMK-UHFFFAOYSA-N 323.404 2.317 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3C2)cn1 69708335 SPUQRVBRKHNLBE-HOCLYGCPSA-N 311.385 2.335 0 40 DEAB Cc1ccc(CN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)cc1 71006056 UATVSOONJMUMED-IAGOWNOFSA-N 323.458 2.163 0 40 DEAB O=C1Nc2ccccc2CC[C@H]1Sc1nc2ncncc2[nH]1 225624624 GEMITBCFIUAPNI-GFCCVEGCSA-N 311.370 2.399 0 40 DEAB Cc1noc(C)c1CCC(=O)NC[C@@H]1Cc2ccccc2CO1 225784505 XKXGLTROXOOUBW-INIZCTEOSA-N 314.385 2.482 0 40 DEAB Cc1cnc(C)c(NC[C@H]2C[C@H](O)CN2Cc2ccccc2)n1 195563959 DHOAHUWXOUVFKW-SJORKVTESA-N 312.417 2.141 0 40 DEAB Cc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@@H](O)COCC2CC2)c1 195533925 SHMQUTYHNBPHSD-IKGGRYGDSA-N 303.402 2.002 0 40 DEAB O[C@H](Cn1nnnc1Cc1ccccn1)c1ccccc1Cl 193436523 YNNCKLUSCWRHGD-CQSZACIVSA-N 315.764 2.046 0 40 DEAB O=C(c1cccc(O)c1)N1CCN(CCC(F)(F)F)CC1 81011816 NHTLKICNIHJSPC-UHFFFAOYSA-N 302.296 2.102 0 40 DEAB COc1ccc(C(=O)[C@@](C)(Br)S(C)(=O)=O)cc1 96518616 IJJFIIGGCUJTQF-NSHDSACASA-N 321.192 2.034 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)c3cccc(C)n3)CC2)CO1 96205845 SQEJIHUQQXGGCZ-CQSZACIVSA-N 304.390 2.048 0 40 DEAB COc1cccc(CCC(=O)N2CCO[C@H]3[C@@H](OC)CC[C@@H]32)c1 96041961 RIRJZNZKYYXHDF-XYJFISCASA-N 319.401 2.033 0 40 DEAB Cn1ncc(NCc2ccccc2-n2ccnc2)c(Cl)c1=O 91506137 JSCDZQMGMCQHGA-UHFFFAOYSA-N 315.764 2.232 0 40 DEAB CCNc1nc(C(=O)NCC[C@H](O)c2ccccc2)cs1 96481529 IDEJKSWNRSMJDC-ZDUSSCGKSA-N 305.403 2.428 0 40 DEAB Cn1cc(-c2ncnc3c2CCN(c2ccccc2)CC3)cn1 96255201 VHWSPSGOKIHJHG-UHFFFAOYSA-N 305.385 2.482 0 40 DEAB COCCNc1ccccc1CNC(=O)c1ccncc1F 96475893 LOPWYBJWFBWWQY-UHFFFAOYSA-N 303.337 2.209 0 40 DEAB CCC[C@H]1SCCN1S(=O)(=O)c1cnn(C(C)C)c1 97230402 OXZOMGLURLZNLC-GFCCVEGCSA-N 303.453 2.328 0 40 DEAB CC(=O)N1CCC(c2nc3ccc(NC4CCC4)cn3n2)CC1 96086952 RGYNGVVFYOZYPT-UHFFFAOYSA-N 313.405 2.420 0 40 DEAB C[C@H](N[C@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCCO1 248487426 LVPMLGFLMWILHJ-DUVNUKRYSA-N 306.381 2.478 0 40 DEAB Cc1c[nH]c(-c2nccnc2[C@@H]2CCCN(c3ccncn3)C2)n1 257252282 JUFIUVNZTBRZAR-CYBMUJFWSA-N 321.388 2.349 0 40 DEAB COc1ccc(F)cc1C(=O)N1CC[C@H]2NCCCC[C@@H]2C1 257271427 MYHBXUGITJPMLR-IUODEOHRSA-N 306.381 2.439 0 40 DEAB CO[C@H]1CN(C(=O)c2c(C(C)C)noc2C)C[C@@]12CCCO2 257309266 UAHDOLGAKVSEAJ-LRDDRELGSA-N 308.378 2.126 0 40 DEAB Cn1nccc1CCC(=O)N1CCC[C@H](Cc2cccnc2)C1 257234567 GUDXBBSBXYSVSR-MRXNPFEDSA-N 312.417 2.229 0 40 DEAB CC(=O)N1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257204102 ATBIQLLNVGNULJ-WMLDXEAASA-N 304.365 2.200 0 40 DEAB Cc1c(CN2CCCC[C@]3(C)NC(=O)CCC[C@H]23)cnn1C 257204489 AUVUYJHKLLNDOO-RDJZCZTQSA-N 304.438 2.142 0 40 DEAB CN(CCN1CCOC(C)(C)C1)c1nccc(C(F)(F)F)n1 278588322 DIUIBQSCGMHUQJ-UHFFFAOYSA-N 318.343 2.042 0 40 DEAB Cc1cc(CN2CC[C@](O)(COc3ccccc3C)C2)no1 585274771 NKQIAARQZKFZMN-QGZVFWFLSA-N 302.374 2.307 0 40 DEAB COC[C@H]1CN(C(=O)c2ccco2)CC12CCN(C(C)C)CC2 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40 DEAB O=c1/c(=C\c2ccccc2)sc2nnc(-c3ccccc3)n12 217342 BKMODYAJXAISPW-SDNWHVSQSA-N 305.362 2.366 0 40 DEAB CC(C)CNC(=O)COC(=O)c1cc2ccccc2cc1O 5841860 WFNDLRPCZHHDII-UHFFFAOYSA-N 301.342 2.474 0 40 DEAB CCN(CC)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 12602228 QEYHVTNPDUSNFV-HRCADAONSA-N 319.449 2.062 0 40 DEAB biogenic,in-vitro Cc1cc(O)nc(SCCSc2nc(C)cc(O)n2)n1 17164743 MNKICFCQADTDDS-UHFFFAOYSA-N 310.404 2.179 0 40 DEAB Cc1cc([C@H]2CCCCCN2S(=O)(=O)N2CCCC2)no1 19119492 DVRIFMLOZYJQIY-CQSZACIVSA-N 313.423 2.241 0 40 DEAB CC(C)(C)NC[C@@H](O)COc1cc(C(=O)O)ccc1Cl 33506646 QNYWJTMYNAJZTQ-SNVBAGLBSA-N 301.770 2.166 0 40 DEAB in-vitro CC1CCC(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 18062908 CYLMDSGAIYGLNI-WUCCLRPBSA-N 320.433 2.247 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)N[C@@H]3CCCC[C@H]3C)n2)cc1 419577 VEWRONBKSIZEFA-UKRRQHHQSA-N 313.405 2.343 0 40 DEAB COC(=O)c1ccc(NC(=O)COc2ccc(C=O)cc2)cc1 4201512 FIUANHUISFMXBG-UHFFFAOYSA-N 313.309 2.303 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C[C@H]2CCOC2)CC1 1848740472 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CC(C)CN1C(=O)[C@]2(CC(=O)Nc3[nH]ncc32)c2ccccc21 20732694 ZMDREUYBPGYWSJ-QGZVFWFLSA-N 310.357 2.041 0 40 DEAB Cc1sc2ncn(CCC(=O)NC[C@H]3C[C@@H]3C)c(=O)c2c1C 32388299 UOIUBVVQXSLCIL-JOYOIKCWSA-N 319.430 2.237 0 40 DEAB Cc1cccc(N2C[C@H](C(=O)Nc3ccn(C)n3)CC2=O)c1C 32778106 QFCIYDSGMKFBQV-CYBMUJFWSA-N 312.373 2.029 0 40 DEAB CCc1cccc(OCC(=O)N[C@@H](CC(C)C)C(=O)N(C)C)c1 32931673 COEPAZWBTORZFW-INIZCTEOSA-N 320.433 2.247 0 40 DEAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1O 561135 BKVHSBSBUKJSNQ-NTEUORMPSA-N 324.336 2.494 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)[C@H]1COc2ccccc2O1 784295 RDSMYZAFPGMKQG-MRXNPFEDSA-N 313.309 2.236 0 40 DEAB CCCCc1noc(CN2CCc3ncnc(OCC)c3C2)n1 97202102 QABFSMSTGDTLHA-UHFFFAOYSA-N 317.393 2.159 0 40 DEAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCn2ccnc2C1 97201236 CJAPPMFDLOJNHM-ZDUSSCGKSA-N 317.393 2.193 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)n[nH]2)cc1 6268945 KLIUUFFASQSCKP-MRVPVSSYSA-N 320.374 2.019 0 40 DEAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1 6376914 SYYOKJZELFJPSV-LLVKDONJSA-N 318.373 2.236 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NCc1cccc(Cl)c1 101780027 XVVWNLCXRSGHSB-XCCSTKFXSA-N 305.761 2.479 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 55651167 UJCIVNWILVSVCU-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)C1(C)C 107057508 CYDQCPCETIYYSN-WCXIOVBPSA-N 320.477 2.404 0 40 DEAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 57403192 XUYRLNRDRSBWOW-ZDUSSCGKSA-N 321.852 2.438 0 40 DEAB CSc1ccc(-c2noc(CN3CCN(C)CC3)n2)cc1 57427628 LTKGQQYCGGOFND-UHFFFAOYSA-N 304.419 2.206 0 40 DEAB C[C@H](OC(=O)c1ccccc1)C(=O)Nc1sccc1C(N)=O 12600361 YXQKHEDOZZKRRF-VIFPVBQESA-N 318.354 2.031 0 40 DEAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)NCCCn1cncn1 48285551 CNONIDUEOFVGJW-NSHDSACASA-N 323.347 2.349 0 40 DEAB CC(=O)NCCCCCC(=O)N1CCO[C@H](c2ccccc2)C1 48273126 OXYCPTFQSBOCAB-KRWDZBQOSA-N 318.417 2.283 0 40 DEAB COC[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 44948543 MGOTWXBJTNUDQI-ZIAGYGMSSA-N 309.410 2.141 0 40 DEAB c1ccc(NC[C@]23COC[C@H]2CN(Cc2ccncc2)C3)nc1 108531529 LCFCPFGTSGKCCC-AEFFLSMTSA-N 310.401 2.037 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCN(C[C@H](O)c2cccs2)CC1 56921769 GGELKNPDINMQBW-GJZGRUSLSA-N 320.458 2.282 0 40 DEAB O=C(CNc1ccccc1Cl)NCCC(=O)N1CCCCC1 58324740 DZQURMSZFIYZJV-UHFFFAOYSA-N 323.824 2.271 0 40 DEAB CC[C@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2nncn2C)cc1 58370399 NUAAJLTVKRKIMW-NWDGAFQWSA-N 322.434 2.368 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2nncn2C)cc1F 45102346 GDOMJWKSAFRHMZ-NXEZZACHSA-N 321.356 2.084 0 40 DEAB C[C@H](NC(=O)[C@@H](C)O[C@H]1CCC[C@@H](C)C1)C(=O)N1CCCCC1 110597489 UPVJWFYWPGVHRP-QXSJWSMHSA-N 324.465 2.487 0 40 DEAB O=C(O)CN(c1cccc(F)c1)S(=O)(=O)c1ccccc1 20131060 HQFZPNPILKXJBW-UHFFFAOYSA-N 309.318 2.106 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 2512146 KDGJKNKKDNHUNC-UHFFFAOYSA-N 301.346 2.082 0 40 DEAB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2ccc[nH]2)C1=O 2616786 LVDQNAYLBCCBDC-QGZVFWFLSA-N 311.341 2.055 0 40 DEAB Cc1ccc(F)c(NC(=O)Cn2nnc(-c3ccccc3)n2)c1 2788402 JYXSEKAGRCCEIN-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)o3)CC2)o1 2744887 YQBJSKNVCSOHPH-UHFFFAOYSA-N 302.330 2.088 0 40 DEAB COc1cccc(Nc2nnc(S[C@@H](C)C(N)=O)s2)c1 3439534 GWPCCTYCQQANLY-ZETCQYMHSA-N 310.404 2.256 0 40 DEAB C[C@@H](Sc1ncccc1Cl)c1nc(N)nc(N(C)C)n1 12907051 QXWSGWFJTJHKME-SSDOTTSWSA-N 310.814 2.422 0 40 DEAB COc1ccc(CN2CCC[C@@H](CNC(C)=O)C2)cc1OC 84753045 VWJVKHFICKCKPW-HNNXBMFYSA-N 306.406 2.052 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)c2cc(Cl)c3c(c2)OCO3)C1 13171230 PDZKGOXPAAUOMT-QMMMGPOBSA-N 311.721 2.006 0 40 DEAB Cc1cccc(C(C)(C)CNC(=O)N[C@@H](C)c2nncn2C)c1 63409194 XKZOWLKGMXCVJS-ZDUSSCGKSA-N 315.421 2.462 0 40 DEAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)[C@@H]2CCC(=O)N2)cc1 63837401 KZHAINZFXLMNGW-CJNGLKHVSA-N 315.417 2.278 0 40 DEAB COc1ccc(NC(=O)C(=O)NC2CCCCC2)c(OC)c1 4170206 HYZNMIICJMLXJZ-UHFFFAOYSA-N 306.362 2.091 0 40 DEAB CC1(C)C[C@H](NCCCNC(=O)c2cccc(O)c2)C(C)(C)O1 95421574 KMJNQBFNYLYTHM-HNNXBMFYSA-N 320.433 2.448 0 40 DEAB CCCOc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1 4392702 RRQYUGOQIDRLBD-GFCCVEGCSA-N 311.403 2.239 0 40 DEAB Cc1c(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)cnn1C 65449521 ITMDLPQJPWGADJ-CYBMUJFWSA-N 321.764 2.328 0 40 DEAB CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCc2c1cnn2CCO 65449866 JINBGRDPFGWBAZ-UKRRQHHQSA-N 320.437 2.227 0 40 DEAB CCC(CC)NC[C@H](O)COc1ccc(C(C)=O)cc1OC 7063708 TVDWPFXCNCDLSA-HNNXBMFYSA-N 309.406 2.416 0 40 DEAB C[C@@H](CSC(C)(C)C)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 90116002 CYYVANVBRAVMKN-QWHCGFSZSA-N 324.494 2.425 0 40 DEAB COc1ccc(-c2n[nH]c(NCCc3ccccc3)nc2=O)cc1 16048502 TYLQVMVUIOIKFW-UHFFFAOYSA-N 322.368 2.495 0 40 DEAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCc2c(F)cccc21 71837166 FEBHPWBYMZUZPY-QGZVFWFLSA-N 303.381 2.408 0 40 DEAB CC1(NC(=O)CCCN2C(=O)NC3(CCCC3)C2=O)CCCC1 69321878 UYVCRDAJNPWOTJ-UHFFFAOYSA-N 321.421 2.080 0 40 DEAB C[C@H](c1ccccc1F)N1CCN(Cc2nccn2C)CC1 69486444 OHLVWRXSIYLBOV-CQSZACIVSA-N 302.397 2.438 0 40 DEAB CCC(=O)NCC(=O)Nc1nnc(-c2ccccc2Cl)s1 69564156 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310.361 2.419 0 40 DEAB c1ccc([C@H]2CN(CCCN3CCOCC3)CCS2)cc1 75748350 LFLCVNFPYXDTJT-QGZVFWFLSA-N 306.475 2.499 0 40 DEAB C[C@@]1(C(=O)NCc2cccs2)Oc2ccccc2NC1=O 40776411 UDUSGTUPQFNJEW-HNNXBMFYSA-N 302.355 2.154 0 40 DEAB CC(C)(CO)NC(=O)C1CCN(CCCc2ccccc2)CC1 199419499 PDMHQIJLGIMGLB-UHFFFAOYSA-N 318.461 2.218 0 40 DEAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225602935 HVIFAXMXRFHMBW-RNJOBUHISA-N 307.733 2.241 0 40 DEAB O=C(NCC1CC1)[C@H]1C[C@H]2[C@H](CCN2Cc2cccs2)O1 96183590 YYUPSRJAFSIZJV-SOUVJXGZSA-N 306.431 2.006 0 40 DEAB O=C(CN1C(=O)c2ccccc2Oc2ncccc21)NC1CC1 96118893 OCJSIQAVNUUMJQ-UHFFFAOYSA-N 309.325 2.113 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CCO1 96437443 AJIOAUOEBFABRT-JQWIXIFHSA-N 314.332 2.083 0 40 DEAB CN1CCC(n2ncc3c(Br)cccc3c2=O)CC1 95097288 DMTZLWYCTZDERR-UHFFFAOYSA-N 322.206 2.426 0 40 DEAB CN(C)c1ccc(C(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)O)C3)cc1F 580214438 VWPHZFFGUJHUIM-SUHUHFCYSA-N 320.364 2.217 0 40 DEAB 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Cc1[nH]c(=S)n(-c2ccc(Cl)cc2)c(=O)c1CC(=O)O 20156379 KKDGWXVBGOUYRU-UHFFFAOYSA-N 310.762 2.484 0 40 DEAB CON(C)C(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1 14182848 WNQVLRPYBWVYOV-UHFFFAOYSA-N 324.336 2.116 0 40 DEAB Cc1ccc(C)c([C@H](C)NCC(=O)NC(=O)NCC(C)C)c1 14250038 MECNFIULPMZUJR-AWEZNQCLSA-N 305.422 2.436 0 40 DEAB CC(C)(C)[C@H](NC(=O)N[C@H]1CCCNC1=O)c1cccc(F)c1 95408151 RCLFOUKQDUVTAG-UONOGXRCSA-N 321.396 2.491 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C 9314074 JIYMGAKYQKNWRI-UHFFFAOYSA-N 315.373 2.069 0 40 DEAB CCCCc1ccc(NC(=O)C(=O)NC[C@H]2CCCO2)cc1 4600274 IANWPMWFFZMVIM-OAHLLOKOSA-N 304.390 2.263 0 40 DEAB CCc1c(C(=O)NC[C@H]2CCCO2)cnn1-c1ccc(F)cc1 6754330 WPGBZEJPRATJNC-CQSZACIVSA-N 317.364 2.483 0 40 DEAB Nc1ncnc2sc3c(c12)CCN(C(=O)c1ccccc1)C3 9339239 MHETXTCWUOSRNM-UHFFFAOYSA-N 310.382 2.472 0 40 DEAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3cc(C)n[nH]3)C2)c1 96459342 FQHQEEIYYKLVTI-LBPRGKRZSA-N 315.373 2.365 0 40 DEAB O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccccn1 68143636 VNAKACPWDYREEH-MRXNPFEDSA-N 310.353 2.430 0 40 DEAB CSCC[C@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)O 9550316 IDKSAWYRKQEVOD-AWEZNQCLSA-N 307.415 2.040 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)N[C@@H]2CCN(c3ccccc3)C2)n1 71882808 GHMDUSMGLTVMLA-JKSUJKDBSA-N 312.417 2.456 0 40 DEAB Cc1ccc2c(c1)N(S(=O)(=O)c1c[nH]c(C(=O)O)c1)CCC2 71894500 DABBYHGAZFWELX-UHFFFAOYSA-N 320.370 2.163 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)Nc1ccc(Cl)cc1 71846752 GWJJRESPAQNXDI-ZIAGYGMSSA-N 309.797 2.325 0 40 DEAB Cc1nnc2n1CCN([C@@H](C)c1nc(-c3ccccc3)no1)C2 69453572 NLAVNNFNFXVXME-NSHDSACASA-N 310.361 2.213 0 40 DEAB CCO[C@H]1C[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 69945293 PDWRVCDCTOIQOQ-HIFRSBDPSA-N 319.401 2.277 0 40 DEAB Cc1cnn(CCCNC(=O)NCc2csc(C3CC3)n2)c1 69936369 YPKBHEJOLHVXQH-UHFFFAOYSA-N 319.434 2.415 0 40 DEAB O=C(Nc1cccnn1)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 95987452 BNBCLDJRKADOPE-OCCSQVGLSA-N 320.299 2.407 0 40 DEAB Cc1occc1C(=O)NCC(=O)Nc1ccnn1[C@H](C)C1CC1 97096022 VBMMWOWFYVTYAB-SNVBAGLBSA-N 316.361 2.124 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(C(=O)O)ccn2)C1 72233910 JHLTWDMPGNWSKT-LBPRGKRZSA-N 321.377 2.273 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)[nH]n1 72232383 JIQICBNJTVHOEI-NSHDSACASA-N 303.366 2.244 0 40 DEAB NC(=O)c1csc(C(=O)NC2(c3cccc(F)c3)CC2)c1 72292398 CHUHWHAOEFYCIY-UHFFFAOYSA-N 304.346 2.405 0 40 DEAB CCCCN(C(=O)Nc1ccc(-n2cncn2)nc1)C1CC1 89954690 NJYHEVVOGVLRLJ-UHFFFAOYSA-N 300.366 2.459 0 40 DEAB C[C@](NC(=O)Cc1n[nH]c2ccccc12)(C(=O)O)c1ccccc1 89905429 XOFJMVJRPBGUPT-GOSISDBHSA-N 323.352 2.222 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCC[C@@H](c2ccn[nH]2)C1 75582351 KJWHORWUJLBRQG-BXUZGUMPSA-N 315.421 2.270 0 40 DEAB O=C(C1=CCCC1)N1CC2(C1)OCC[C@@H]2COc1ccccn1 306137706 RDMDRACLDIRFCX-OAHLLOKOSA-N 314.385 2.188 0 40 DEAB O=C(CNCc1ccc2c(c1)OCO2)NCC1CCCCC1 35311390 AUVVMIMOGMMFTF-UHFFFAOYSA-N 304.390 2.201 0 40 DEAB CC(C)(C)O[C@@H](O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O 1537785282 RFINNQPEUBQDTL-WCQYABFASA-N 301.770 2.016 0 40 DEAB Cc1nn2c(c1-c1ccccc1)NN=C(S(C)(=O)=O)[C@H]2C 1548338197 DBJDWOZSVVULTG-SNVBAGLBSA-N 304.375 2.203 0 40 DEAB C[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1cccs1 72324306 LPHYRPUGHMVDFX-LLVKDONJSA-N 316.382 2.403 0 40 DEAB CCCNS(=O)(=O)c1ccc(N[C@H](C)CC)c(C(=O)O)c1 217541833 ANBSKMWQDQZJTO-SNVBAGLBSA-N 314.407 2.284 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2N[C@@H](C)CO)cc1 185579141 WUQYTLBGOOQQMI-CWRNSKLLSA-N 311.447 2.050 0 40 DEAB CC1(C)[C@@H](C(=O)Nc2ccc(Br)cn2)[C@H]1C(=O)O 71280143 FEOIIGRMOBHIIJ-BDAKNGLRSA-N 313.151 2.139 0 40 DEAB COCCc1nc(N)cc(Nc2ccc(OC)cc2OC)n1 49467783 GFECHJKYNDCFDC-UHFFFAOYSA-N 304.350 2.009 0 40 DEAB COc1cc(OC)cc(C(=O)NC[C@](C)(O)c2ccccc2)c1 70639596 UVPLFLFGEFZFBK-SFHVURJKSA-N 315.369 2.341 0 40 DEAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1cnccn1 77647558 ZZCFBRMKICJHGW-LLVKDONJSA-N 312.156 2.247 0 40 DEAB CC[C@H](C)NC(=O)c1cc(NC(=O)c2cccs2)n(C)n1 40745914 VEBCRBNYZBSYDS-VIFPVBQESA-N 306.391 2.262 0 40 DEAB CN1CCC(NC(=O)CCn2ncc3c(Cl)cccc32)CC1 40769148 BOQSSHAOIDBYFJ-UHFFFAOYSA-N 320.824 2.290 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 195541549 CCDRNFUANYAGMF-CQSZACIVSA-N 304.321 2.315 0 40 DEAB Cc1ccc(CN2CCC(C(=O)NC(C)(C)CO)CC2)cc1 199419562 OMXUDBOWHWTELK-UHFFFAOYSA-N 304.434 2.094 0 40 DEAB CC[n+]1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 226774141 LQGOTKOTKMRPRG-UHFFFAOYSA-N 300.289 2.179 0 40 DEAB COC(=O)[C@H]1CCCC[C@H]1NC(=O)c1cccc(N(C)C)c1 84810517 VRGAROPLKDDAIK-LSDHHAIUSA-N 304.390 2.214 0 40 DEAB CC(C)(C)SCC(=O)NC1CCN(C[C@H]2CCOC2)CC1 96412727 GLBMRSIZCHREGS-CYBMUJFWSA-N 314.495 2.135 0 40 DEAB CNC(=O)[C@@H]1CCO[C@@H]2CCN(Cc3ccc(C)s3)C[C@H]21 96058280 RUJBTOFCFZVVPY-QLFBSQMISA-N 308.447 2.030 0 40 DEAB Cn1cccc1CN1CCC2(CC1)CC(N1CCOCC1)C2 96159229 WAZPQLVDOOEYDN-UHFFFAOYSA-N 303.450 2.102 0 40 DEAB COCCCNC(=O)[C@@]1(C)CC(c2ccccc2Cl)=NO1 96192888 CKLSQIJTWCLQPH-OAHLLOKOSA-N 310.781 2.376 0 40 DEAB CC1CCN(C(=O)[C@@H]2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1 96101498 HVLIPWMJFGDYNN-CQSZACIVSA-N 318.421 2.075 0 40 DEAB O=C(c1ccc(O)nn1)N1CC[C@H](CSc2ccccc2)C1 96431834 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C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCCc1cccs1 69527544 QDUIGGNVMZQEBA-QWHCGFSZSA-N 323.462 2.379 0 40 DEAB O=C(N[C@@H]1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1 1058097208 QLYYHBLIJJMCLK-CYBMUJFWSA-N 314.364 2.264 0 40 DEAB CCCCn1nnnc1CN1c2ccccc2NC(=O)C1(C)C 58162527 HNRDWHAXTLXAEY-UHFFFAOYSA-N 314.393 2.211 0 40 DEAB O=C(Nc1cccc(N2CCOC2=O)c1)NC1CCC(O)CC1 58103760 HSCDLSSIPBEFDG-UHFFFAOYSA-N 319.361 2.068 0 40 DEAB COCCNCc1c(Br)cc(OC)cc1OC 89414718 TWKZRBWCSJFVTL-UHFFFAOYSA-N 304.184 2.202 0 40 DEAB Cc1nc(SCC(=O)Nc2cccc(F)c2)[nH]c(=O)c1C 5155286 ZQYJRHRQCSLWGO-UHFFFAOYSA-N 307.350 2.257 0 40 DEAB CCOC(=O)CSc1nc2nc(Cl)c(Cl)nc2[nH]1 5829191 IHYIVLYZIUBRHY-UHFFFAOYSA-N 307.162 2.315 0 40 DEAB CCSc1nc(N)c(NC(=O)c2ccc(C)cc2)c(=O)[nH]1 5081689 LUFLQKRINQAXTL-UHFFFAOYSA-N 304.375 2.025 0 40 DEAB Cc1csc(NC(=O)CNC(=O)c2cc3ccccc3[nH]2)n1 13693803 XXXCKZSTAZVOKB-UHFFFAOYSA-N 314.370 2.301 0 40 DEAB Cc1noc(C)c1C(=O)N1CCn2cc(C(F)(F)F)nc2C1 19580136 CIAINBXSKBDXBM-UHFFFAOYSA-N 314.267 2.163 0 40 DEAB O=C(O)c1ccc(N/C=C\c2nnnn2-c2ccccc2)cc1 4347742 NEIWJXAZAZNZQI-KHPPLWFESA-N 307.313 2.443 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C1 4867315 RWYDXYXBKGHQEK-ZIAGYGMSSA-N 318.417 2.414 0 40 DEAB O=C(NCCCN1CCOCC1)c1cccc(Cl)c1Cl 19892182 UUSJYFOOJCFLLS-UHFFFAOYSA-N 317.216 2.446 0 40 DEAB O=S1(=O)N=C(N2CC[C@@H](c3ccccn3)C2)c2ccccc21 1888850009 LDLXGAKLOWELLO-GFCCVEGCSA-N 313.382 2.020 0 40 DEAB O=C(Cc1c(F)cccc1Cl)NC1CN(c2ccccn2)C1 1888863773 MUZOEZFYQFIFSZ-UHFFFAOYSA-N 319.767 2.422 0 40 DEAB Nc1cc(C(=O)O)ccc1N1CCN(Cc2ccccc2)CC1 225322821 WXIKFAIWIUBQOX-UHFFFAOYSA-N 311.385 2.289 0 40 DEAB O=S(=O)(CCn1ccnc1)c1ccc(Br)cc1 9647965 LAMOHDQCSLQEQL-UHFFFAOYSA-N 315.192 2.120 0 40 DEAB CCN1C(=O)CCC12CCC(NC(=O)CCc1ccc[nH]1)CC2 1565550448 DCBUXPYHNINUAR-UHFFFAOYSA-N 317.433 2.387 0 40 DEAB Cc1ccccc1CN1CCC[C@H](NS(=O)(=O)C2CC2)C1 1889133901 JAKBGKCZNYECTL-HNNXBMFYSA-N 308.447 2.041 0 40 DEAB Cc1ccc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)nn1 2086875502 OLZNKFMJYQSEDX-UHFFFAOYSA-N 318.812 2.334 0 40 DEAB O[C@H]1CCN(C2CCN(c3ncccc3C(F)(F)F)CC2)C1 664599295 MHHWQSZKCKYZLR-LBPRGKRZSA-N 315.339 2.136 0 40 DEAB Cc1cc2c(cc1S(=O)(=O)Nc1cccc(O)c1)OCCN2 12446848 RZDGGGRHARMLEN-UHFFFAOYSA-N 320.370 2.306 0 40 DEAB Cn1cc(/C=C/C(=O)NCc2ccccc2CN2CCCC2)cn1 30556634 LWXIPAIESFJHHU-CMDGGOBGSA-N 324.428 2.346 0 40 DEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1nc2ccccc2[nH]1 40543448 FWHIUJFRYGGWSE-UHFFFAOYSA-N 321.402 2.249 0 40 DEAB O=C(NCc1cccs1)N[C@@H]1CCCN(c2ncccn2)C1 40549174 NEYPYOYIYTXYHW-GFCCVEGCSA-N 317.418 2.006 0 40 DEAB C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCc1ccco1 20744801 MUSGBBKWZXOUTJ-NSHDSACASA-N 312.325 2.461 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 41127730 KMGIVQWJFMCCOC-JTQLQIEISA-N 302.305 2.033 0 40 DEAB CC1=C(C(=O)N(C)C)[C@H](c2ccc(Cl)cc2)NC(=S)N1 555744 MIOWSXPWSCRRPU-LBPRGKRZSA-N 309.822 2.221 0 40 DEAB Cc1cccc(N(C)S(=O)(=O)c2c(C)nn(C)c2C)c1C 53669645 YAEQWKWMNFEQLS-UHFFFAOYSA-N 307.419 2.479 0 40 DEAB CCN(CC)CCS[C@@H](C)C(=O)Nc1c(C)nn(C)c1C 83092887 GKWJNMFINIBROS-ZDUSSCGKSA-N 312.483 2.439 0 40 DEAB COc1cccc(OCCNc2ncc(C(N)=O)cc2Cl)c1 54057667 GLSACXZHXHAAQB-UHFFFAOYSA-N 321.764 2.333 0 40 DEAB COc1ccc2oc(=O)c(C(=O)NCc3ccccn3)cc2c1 802745 RAUQGNRZSPMLJM-UHFFFAOYSA-N 310.309 2.127 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)C12CC3CC(CC(C3)C1)C2 78803512 LWYGBFIHDRIONR-DLUQRMLASA-N 306.406 2.289 0 40 DEAB COC(=O)c1ccc(Cn2cnc3c(Cl)ncnc32)cc1 1736147 CBMZYPGWBWDKJB-UHFFFAOYSA-N 302.721 2.315 0 40 DEAB Nc1ncnc2[nH]c(SCc3ccc4nsnc4c3)nc12 2023310 WWTPTTDEJYFGQB-UHFFFAOYSA-N 315.387 2.232 0 40 DEAB biogenic CCCCOC(=O)CN1C(=O)S/C(=C\c2ccccn2)C1=O 6629054 YVOQFGHMMCSBPS-XFXZXTDPSA-N 320.370 2.461 0 40 DEAB CCN(C)S(=O)(=O)c1c(C(=O)OC)sc2ccccc12 95394352 WJFMBCYOLAHLRR-UHFFFAOYSA-N 313.400 2.328 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)CCc1nc2ccccc2[nH]1 24991039 VWSHOJXWJAUMCU-CYBMUJFWSA-N 323.400 2.423 0 40 DEAB O=C(NCC[S@@](=O)c1ccccc1)[C@H]1C[C@H]1c1cccnc1 106850194 SIMFWHWBGCTHOM-WCJKSRRJSA-N 314.410 2.109 0 40 DEAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N2CCC[C@@H]2c2ccc[nH]2)C1 56052074 AEQAZNMYUVKMOK-UMVBOHGHSA-N 311.451 2.374 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 108356100 OYJKZPZLEFJMRZ-IJLUTSLNSA-N 301.795 2.247 0 40 DEAB O=C1C(=O)N(C[C@@H]2CCCCO2)C(=O)N1CCC1=CCCCC1 57542780 NFDFGNHVJFPXNL-AWEZNQCLSA-N 320.389 2.237 0 40 DEAB CN(C)C(=O)C[C@H](NC(=O)Nc1nccs1)c1ccccc1 58049480 NNBNSSKLJXNZEF-LBPRGKRZSA-N 318.402 2.484 0 40 DEAB C[C@H](O)CNCCNCc1ccc(OCc2cccs2)cc1 22076416 VQFCINAXXGPBFN-AWEZNQCLSA-N 320.458 2.387 0 40 DEAB CCOC(=O)c1cc(-c2ccccc2)n2nc(C(=O)O)cc2n1 26897645 PMCLSRYZJDOFGO-UHFFFAOYSA-N 311.297 2.271 0 40 DEAB O=C(NCC(=O)N1CC[C@@H](c2ccccc2)C1)c1ccccc1 58265452 ZEQVORQNBSAASS-QGZVFWFLSA-N 308.381 2.433 0 40 DEAB O=C(CCNc1ncccn1)NCCCOc1ccc(F)cc1 58278557 LYKRHZQQNHGMCD-UHFFFAOYSA-N 318.352 2.003 0 40 DEAB O=C(CCS(=O)(=O)C1CCCC1)NCCc1ccsc1 44949574 NRVLHLSJVSATDN-UHFFFAOYSA-N 315.460 2.154 0 40 DEAB C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)[C@H]1CCCO1 44912041 UTZBFUXKUVLZLG-GXSJLCMTSA-N 318.295 2.320 0 40 DEAB O=C(c1ccncc1)N1[C@@H]2CC[C@@H]1CC(O)(c1ccccn1)C2 100162111 MWLNDKARXPGWLC-HUUCEWRRSA-N 309.369 2.131 0 40 DEAB O=C(C[C@H]1C=CS(=O)(=O)C1)OCc1ccc(F)cc1Cl 58361403 CVYQCEBORKWKTK-SECBINFHSA-N 318.753 2.471 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cc(F)c(F)cc1Cl 58304600 IVGQCRLTFGAUSR-SFYZADRCSA-N 316.735 2.344 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN(CCc2ccccn2)C1 58378451 XGROXEFZQOXRDK-ZDUSSCGKSA-N 316.430 2.431 0 40 DEAB Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccc(C)o2)nc1 58407468 IZKYWYGWVZMDFQ-VQHVLOKHSA-N 313.357 2.402 0 40 DEAB CC(C)CNC(=O)COc1cccc(Oc2ncccn2)c1 58407198 DBWHPHVWKOHQMS-UHFFFAOYSA-N 301.346 2.420 0 40 DEAB Cc1cc(C)n(CCCNC(=O)c2ccc3c(c2)OCO3)n1 28231537 LKDGIYCPENUNNU-UHFFFAOYSA-N 301.346 2.049 0 40 DEAB Cc1ccc(NS(=O)(=O)Cc2ccccc2)c(N(C)C)n1 95447347 HLODGIRCYGQLGF-UHFFFAOYSA-N 305.403 2.398 0 40 DEAB COc1ncccc1NC(=O)NCc1ccc2c(c1)OCO2 48414283 RGJARIOEYYLKOL-UHFFFAOYSA-N 301.302 2.141 0 40 DEAB COc1ccc(CCCNC(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1 93397926 IEDSDEFOYYJHCM-CJNGLKHVSA-N 306.406 2.040 0 40 DEAB O=C1NC(=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1 26687803 VYSZWMAFONLBBO-INIZCTEOSA-N 318.336 2.420 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1csc(-c2ccco2)n1 97197750 SVKNYOHHNSQTAE-SNVBAGLBSA-N 314.370 2.344 0 40 DEAB COc1c(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c(C)nn1C 97113572 NARFQYYTDHRJPO-GFCCVEGCSA-N 318.381 2.219 0 40 DEAB CCN1CCc2ncnc(N(C)Cc3c(C)noc3C)c2C1 65487589 BEQPVBURWIHXEY-UHFFFAOYSA-N 301.394 2.096 0 40 DEAB O=C(NCCn1cccn1)c1cc(C2CC2)nn1-c1ccccc1 65402617 LPCVKAXKYQJVDC-UHFFFAOYSA-N 321.384 2.376 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)C1 65476565 DWRCQLPQBBFWBL-CYBMUJFWSA-N 318.392 2.361 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)CN1CCc2sccc2C1 65531406 YLCCXTTVODSDLH-UHFFFAOYSA-N 304.419 2.095 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(O)nc1 6651135 ZMAHSLUGXXHQDM-CQSZACIVSA-N 315.373 2.337 0 40 DEAB CN(C(=O)Cc1cccs1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 96422450 GCXTVIJIIYLBOW-CHWSQXEVSA-N 315.460 2.105 0 40 DEAB C[C@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCOC1 96486833 XKTYXOHCKQAMTB-JQWIXIFHSA-N 303.337 2.371 0 40 DEAB COc1ccccc1CC(=O)N[C@H]1CCN(c2ccccc2)C1=O 68202375 GWFZZFALTRPDIW-INIZCTEOSA-N 324.380 2.159 0 40 DEAB CC(=O)Nc1ccc(O)c(C(=O)NCc2cnc(C)s2)c1 71886003 RGOGKRQMPPBAJE-UHFFFAOYSA-N 305.359 2.046 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 70008346 LWILBROARXMPPH-HUUCEWRRSA-N 301.394 2.121 0 40 DEAB Cc1ccc(OCC(=O)NCCCOC[C@@H]2CCOC2)c(C)c1 71920701 HZJWEXURXWCYKU-INIZCTEOSA-N 321.417 2.242 0 40 DEAB C[C@H]1CN(CC2CCN(CCc3ccncc3)CC2)C[C@@H](C)O1 69484318 SPRXGOCAUKSXNA-CALCHBBNSA-N 317.477 2.445 0 40 DEAB Cc1cccc2nc(C(=O)N3CCn4c(nnc4C(C)C)C3)cn12 69770646 NUUVGZPVFZFKIA-UHFFFAOYSA-N 324.388 2.014 0 40 DEAB O=C(CCN1CCC[C@H]1Cn1cccn1)N1CCc2ccccc21 69741352 QLTBFMOKAFWIIW-KRWDZBQOSA-N 324.428 2.327 0 40 DEAB Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)c2nncn2C)cc1 69777644 SZKJMMCRFDLUPF-CYBMUJFWSA-N 315.421 2.462 0 40 DEAB Cc1csc(NC(=O)NC2(C(=O)NCC3CC3)CCCC2)n1 97082331 PFAAFYIGNDCOFP-UHFFFAOYSA-N 322.434 2.412 0 40 DEAB CCN1CC[C@H](NC(=O)COC)[C@@H]1c1cc(F)c(F)c(F)c1 97083294 QLDVLKGMTFHHIX-WFASDCNBSA-N 316.323 2.002 0 40 DEAB COC[C@H](O)CCNC(=O)N[C@H]1c2ccccc2CCC1(C)C 95980447 IRHRDMMZFBOKIB-ZBFHGGJFSA-N 320.433 2.397 0 40 DEAB CCCNC(=O)C(=O)Nc1cc(Br)ccc1F 75142885 CHHXZAWDITYLGV-UHFFFAOYSA-N 303.131 2.053 0 40 DEAB O=C(CSc1cccc[n+]1[O-])O[C@@H](C1CC1)C(F)(F)F 89808174 NMHWMKXLDDZYEY-NSHDSACASA-N 307.293 2.296 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c(C)c1 409378096 NGYJWWBGCROARF-VWPFQQQWSA-N 301.342 2.286 0 40 DEAB O=C1NCC[C@@H]1N1CCN(c2c(Cl)cccc2Cl)CC1 186033007 IJMZTGGEEXEASC-LBPRGKRZSA-N 314.216 2.004 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCc3sccc3C(=O)C2)cc1 34077406 HDQMQMSABKIKBY-UHFFFAOYSA-N 321.423 2.486 0 40 DEAB O=C(c1ccccc1NCC[C@H]1CCCO1)N1CCC[C@@H](O)C1 189616087 VILKKWQRBJNCFN-HUUCEWRRSA-N 318.417 2.265 0 40 DEAB c1nc(NCCN=c2nc(C3CC3)[nH]s2)c2ccsc2n1 521398619 UZFFLISPTGBHMK-UHFFFAOYSA-N 318.431 2.366 0 40 DEAB C[C@@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1ccccn1 187769240 ZESREHZTAVCTTO-OLZOCXBDSA-N 315.377 2.197 0 40 DEAB Cc1nc2ccccc2n(CC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c1=O 72403478 WGNJEIMDKAUULI-QLFBSQMISA-N 323.396 2.033 0 40 DEAB CCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)[C@@H](C)CC 77844515 GXDGWVOGHIEXBB-SJCJKPOMSA-N 306.406 2.101 0 40 DEAB CCN(Cc1ccccc1)[C@@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 79415827 UXTQGLGKLAISEH-MSOLQXFVSA-N 317.477 2.483 0 40 DEAB Cc1cc(C)nc([C@@H]2CCN(S(=O)(=O)C3CCCC3)C2)n1 72386252 CJQHHFUPNIKTJF-CYBMUJFWSA-N 309.435 2.155 0 40 DEAB C[S@](=O)c1nncn1Cc1ccc(OCC(F)(F)F)cc1 78995863 UOYPTMHUGLITJO-OAQYLSRUSA-N 319.308 2.005 0 40 DEAB NCC(=O)N[C@H]1CCCC[C@@H]1N(Cc1ccccc1)C1CC1 79415324 VHONRWKVLKYBPO-IRXDYDNUSA-N 301.434 2.037 0 40 DEAB CCO[C@](C)(C(=O)Nc1ccc(OCC(=O)O)cc1)C1CC1 225722669 SYYBUQRMVXNPCP-INIZCTEOSA-N 307.346 2.294 0 40 DEAB CN(C(=O)C[C@H]1CCOc2ccccc21)C1CCS(=O)CC1 81833275 CARTVMSKAGSOOY-JSBZPRQMSA-N 321.442 2.312 0 40 DEAB CCCCC(=O)Nc1cccc(N2C[C@H](C(=O)O)CC2=O)c1 45953981 RWHGVLVUOVHRSQ-LLVKDONJSA-N 304.346 2.253 0 40 DEAB CCc1cccc(C)c1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@H]21 137102930 NSRKZZXYNPJBJW-VXGBXAGGSA-N 310.444 2.211 0 40 DEAB Cn1cc(CN2C[C@H]3CCC[C@@]3(COc3cccnc3)C2)cn1 96109224 XAFGCQIAMXUNMY-AEFFLSMTSA-N 312.417 2.496 0 40 DEAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CC3)C[C@@H]12 96251859 RLUCIRYFYAWCJH-IEBWSBKVSA-N 312.413 2.188 0 40 DEAB COc1ccc2cc(C(=O)N[C@H](CCSC)C(=O)O)[nH]c2c1 98038131 XBEQBOJIHMCZEZ-LLVKDONJSA-N 322.386 2.113 0 40 DEAB CC(=O)NC[C@@H](OC(=O)c1scnc1C)c1ccccc1 96453123 OXPQEEJGKWFBMK-CYBMUJFWSA-N 304.371 2.486 0 40 DEAB N[C@H]1CCCN(Cc2ccc(OCCn3ccnc3)cc2)CC1 97743150 CBRUTJOETTWURT-KRWDZBQOSA-N 314.433 2.275 0 40 DEAB C[C@@H](NC(=O)NCCCF)c1ccccc1N1CCOCC1 96481513 MFCOAEWVHDHLES-CYBMUJFWSA-N 309.385 2.243 0 40 DEAB O=C1CC[C@H]2[C@H](CCN2Cc2ccoc2)N1Cc1ccncc1 96064709 SIGXRSXPGFZKKW-IRXDYDNUSA-N 311.385 2.440 0 40 DEAB COc1ccsc1S(=O)(=O)Nc1cccc2[nH]ncc12 96471752 PZZOBWGZMAYAFR-UHFFFAOYSA-N 309.372 2.434 0 40 DEAB Nc1nccnc1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1 257214410 CLWINVXPBPDMHU-INIZCTEOSA-N 321.384 2.181 0 40 DEAB CNc1ccc(C[C@@H]2CCCN(C(=O)c3cccnc3)C2)nn1 257243517 IHIRNDLYQFRFSM-ZDUSSCGKSA-N 311.389 2.008 0 40 DEAB CCCn1ccnc1CN1CCO[C@H](c2cccc(NC)n2)C1 257257463 KPRBLUDCQLMZCT-HNNXBMFYSA-N 315.421 2.303 0 40 DEAB CCC[S@](=O)(=S)c1ccc2nc(NC(=O)OC)[nH]c2c1 390822414 UYRDJBXUSVNUKV-FQEVSTJZSA-N 313.404 2.256 0 40 DEAB Cc1nc(C(=O)N2CCC(c3nc4c(s3)CCC4)CC2)no1 902974176 YVKXUITUAUMIGC-UHFFFAOYSA-N 318.402 2.343 0 40 DEAB COc1ccc(-c2nc(CN(C)CC(=O)N(C)C)cs2)cc1 49973803 CFUCQRZEDXWUAC-UHFFFAOYSA-N 319.430 2.339 0 40 DEAB NC(=O)[C@H](NC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1 54150243 SRFAXBHAQCPNQV-MRXNPFEDSA-N 321.336 2.298 0 40 DEAB CN1CCN(C2CCN(CCOc3ccccc3F)CC2)C1=O 75604010 SCXIOGIVTQSYKG-UHFFFAOYSA-N 321.396 2.036 0 40 DEAB O=C1CCC[C@]2(CCCN(C(=O)OCc3ccccc3)C2)N1 91303121 IMXTWYGGGWCZMC-QGZVFWFLSA-N 302.374 2.458 0 40 DEAB in-vitro COc1ncc(Cl)c(N2CCC(c3nc(C)no3)CC2)n1 91455200 WKCASJXUXYMZFR-UHFFFAOYSA-N 309.757 2.214 0 40 DEAB c1ccc2c(c1)CC[C@@H]2NC[C@@]1(N2CCOCC2)CCSC1 95420885 DMKZDBKOFRVVMP-ROUUACIJSA-N 318.486 2.471 0 40 DEAB CC(C)(C)c1ncc(CNC[C@@H]2CCCS2(=O)=O)s1 89761517 WCTXOHKZNVOKJO-NSHDSACASA-N 302.465 2.107 0 40 DEAB Cc1ncncc1-c1nnnn1-c1ccc(Br)cc1 16264912 MLYJKZADHDMILA-UHFFFAOYSA-N 317.150 2.190 0 40 DEAB COc1cccc(C2=NO[C@@H](CC3(C(=O)O)CCOCC3)C2)c1 19565080 WDVVAVQBGYPADX-CQSZACIVSA-N 319.357 2.460 0 40 DEAB CC(=O)N1CCCN(C(C)C)CCNCc2ccc(F)cc21 643588933 MRZTWNJJGDKTIG-UHFFFAOYSA-N 307.413 2.382 0 40 DEAB Cc1cc(F)ccc1NC(=O)CCCN1C(=O)NC(C)(C)C1=O 23970485 SLQLHVRWHUWQEV-UHFFFAOYSA-N 321.352 2.183 0 40 DEAB CN1C(=O)COC[C@@H]2CCN(Cc3cccc(Cl)c3)C[C@@H]21 2037984008 NFFJNBHFRUSEQN-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB CCN(CC)CCNC(=O)C(=O)c1c(C)[nH]c2ccccc12 4163502 QRHBUWNRRJRRBN-UHFFFAOYSA-N 301.390 2.117 0 40 DEAB Cc1nc2sccn2c(=O)c1NC(=O)c1ccccc1F 8902632 SZSCEPGYTQDPQQ-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB O=C(Cc1cccnc1)N1CC[C@@H](n2cnc3ccccc32)C1 575616890 KYXYNOFJJUURGF-OAHLLOKOSA-N 306.369 2.447 0 40 DEAB O=C1NCCC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CCC1 50635322 XPSVKHNBNKNTTO-CYBMUJFWSA-N 306.793 2.157 0 40 DEAB CC1=NN(c2ccc(C(=O)N(C)Cc3cnn(C)c3)cc2)CC1 40553468 LTPCDQMTOXXFSD-UHFFFAOYSA-N 311.389 2.278 0 40 DEAB CCOc1ncccc1C(=O)Nc1cccnc1-n1cccn1 31951081 HLBGKVANNSFPHA-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB CN(C)C[C@@H]1CN(C(=O)C2[C@H]3CCC[C@H]23)c2ccccc2O1 101652790 JIHQOKVUHNRGGP-RDBSUJKOSA-N 300.402 2.388 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nncs2)C1 21215132 ZPKRYMCOUYJSAZ-SECBINFHSA-N 312.395 2.124 0 40 DEAB COC(=O)c1cn(CC(=O)Nc2cc(C)on2)c2ccccc12 32781032 LSJJBZPADAJSEH-UHFFFAOYSA-N 313.313 2.363 0 40 DEAB CC(C)N(CCCN1C(=O)NC(C)(C)C1=O)Cc1ccccn1 52832909 VZGBWSJGHOBTMY-UHFFFAOYSA-N 318.421 2.013 0 40 DEAB CC(=O)N1CCC(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)CC1 21971460 MPNUZBVWHGLSGI-LLVKDONJSA-N 324.808 2.234 0 40 DEAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCCn1cncn1 41862250 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0 40 DEAB NC(=O)Nc1cccc(C(=O)NCCc2nc3ccccc3[nH]2)c1 22368992 OLNXSEQKIXPSRF-UHFFFAOYSA-N 323.356 2.026 0 40 DEAB CC[C@H](C)c1ccc(S(=O)(=O)N2CC[C@H](CNC)C2)cc1 71145123 KAYGWBDPXASPQL-UONOGXRCSA-N 310.463 2.430 0 40 DEAB COc1cccc(CCC(=O)Nc2nnc(-c3ccccn3)[nH]2)c1 47342927 KLVOGTBPFAFRCT-UHFFFAOYSA-N 323.356 2.447 0 40 DEAB CC1CCN([C@]23Oc4ccc(O)cc4[C@@H]2CCCNC3=O)CC1 12417794 QILZHPNVVSKKIW-YJBOKZPZSA-N 316.401 2.206 0 40 DEAB Cc1ccc2nc(S[C@H](C)C(=O)N3CCOCC3)[nH]c2c1 12537512 XJLZWSMDGMAFEG-LLVKDONJSA-N 305.403 2.211 0 40 DEAB O=C(Nc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1 816381 OVIPUKGCJLLXJA-UHFFFAOYSA-N 319.315 2.109 0 40 DEAB CCOC(=O)[C@H]1C[C@@](C(=O)OCC)(c2ccccc2)CCC1=O 1593311 YVGYXBBYJKQLKN-KBXCAEBGSA-N 318.369 2.420 0 40 DEAB O=C(NCCc1cccs1)[C@H]1CC(=O)N(C2CCCC2)C1 23483760 WZBIXOMQUZIAHW-LBPRGKRZSA-N 306.431 2.198 0 40 DEAB COCCCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 2725282 ADPNAEVROKLXAE-UHFFFAOYSA-N 320.267 2.010 0 40 DEAB C[C@H](O)C[C@H]1COCCN1C(=O)NC[C@@H](C)c1cccs1 97161995 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320.403 2.036 0 40 DEAB O=C(c1cc2c(s1)CCOC2)N1CCC[C@@H](n2cccn2)C1 65609703 UBFHCBNQGCYPGJ-CYBMUJFWSA-N 317.414 2.495 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)N[C@@H](C)c3ccco3)n2)cc1 7019607 WOWIJQWHFUEDHV-LBPRGKRZSA-N 311.345 2.119 0 40 DEAB Cc1n[nH]c(=O)c(C(=O)N2CCC[C@@H]3C[C@@H](C)CC[C@H]32)c1C 67518498 BWAIYGXOSFVOQF-ZLKJLUDKSA-N 303.406 2.428 0 40 DEAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)N(C)CC1CCN(C)CC1 71803196 IBRHGQIXLDJSPQ-HOCLYGCPSA-N 311.470 2.317 0 40 DEAB CCCCN(CC(N)=O)Cc1nnc(-c2ccc(Cl)cc2)o1 71828142 YOKGPUXZQJTQGF-UHFFFAOYSA-N 322.796 2.477 0 40 DEAB CN(CC(=O)NCc1ccc2c(c1)OCO2)C1CCCCC1 7786583 QTQYQZNGSCSSDO-UHFFFAOYSA-N 304.390 2.296 0 40 DEAB C[C@H]1Oc2ccc(NS(=O)(=O)c3ccccc3)cc2NC1=O 7729221 WLBYWDUTYDWVJA-SNVBAGLBSA-N 318.354 2.207 0 40 DEAB Cc1ccc(OCCNC(=O)c2ccc(-n3cncn3)cc2)cc1 8332019 HAWWTCFZMWVIDC-UHFFFAOYSA-N 322.368 2.385 0 40 DEAB Cc1ccc(CC(=O)N2CCN(CCc3ccncc3)CC2)cc1 69486497 YSWKKDBOBHPQDV-UHFFFAOYSA-N 323.440 2.319 0 40 DEAB CC(C)c1oc(-c2ccccc2)nc1C(=O)N(C)CC(N)=O 69414271 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97032126 IUEUILQAHSMPAE-SSDOTTSWSA-N 305.124 2.350 0 40 DEAB CC[C@@H](C)[C@](C)(O)CNC(=O)c1cncc(Br)c1 95960897 MWAYXLDCYDIUMR-NOZJJQNGSA-N 315.211 2.371 0 40 DEAB CS(=O)(=O)CC1(CC(=O)NC2CCCCCCC2)CC1 89484198 VSCGBNPIZQNATB-UHFFFAOYSA-N 301.452 2.430 0 40 DEAB Cc1cc(CC(=O)Nc2cccc(NC(=O)C(C)C)c2)n[nH]1 89599171 VRYMGACTECGNEV-UHFFFAOYSA-N 300.362 2.494 0 40 DEAB O=C(CCCNC(=O)C1CC1)NC1C2CC3CC(C2)CC1C3 89598149 FYAOLAZWKZNYED-UHFFFAOYSA-N 304.434 2.234 0 40 DEAB CCN1CCC(N[C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 89977200 DYQDOENPORHUIU-NSHDSACASA-N 311.376 2.366 0 40 DEAB CC(=O)N1CC[C@H](NCC2=Cc3ccccc3OC2)[C@@H](C)C1 89937405 YYOXAHWGSFWBPW-GUYCJALGSA-N 300.402 2.309 0 40 DEAB CNC(=O)NC(=O)CN1CCCCC[C@H]1/C=C\c1ccccc1 177716303 OHFWTRBFIOOZOM-JNSOCZORSA-N 315.417 2.400 0 40 DEAB CC[C@H](C)[C@H](CO)NC(=O)Cn1cnc(-c2ccccc2)c1 503922197 JGJQWVCFWFMZNM-BBRMVZONSA-N 301.390 2.073 0 40 DEAB COC(=O)CNC(=O)c1cc(-c2ccco2)nc2ccccc12 32096377 AQJKEKOGYLEOEK-UHFFFAOYSA-N 310.309 2.398 0 40 DEAB CC(=O)CC(=O)Nc1cc(Cl)c(NC(=O)CC(C)=O)cc1C 33985931 BXICAEQXJKTNSD-UHFFFAOYSA-N 324.764 2.484 0 40 DEAB COc1ccc([C@H]2[C@H](C(=O)NC(C)C)CCC(=O)N2C)cc1 72242012 SIUBQTQRKWDDKW-ZBFHGGJFSA-N 304.390 2.129 0 40 DEAB CCC(=O)Nc1cccc(C(=O)NCC[S@@](=O)C(C)(C)C)c1 79001918 JJCJSAYTGUEUOD-QFIPXVFZSA-N 324.446 2.312 0 40 DEAB O=c1[nH]c(N2CCCC2)nc2ncc3c(c12)-c1ccccc1C3 30874430 OCKSLETWSVIQKJ-UHFFFAOYSA-N 304.353 2.490 0 40 DEAB CC(C)c1nnc2n1CCN([C@@H](C)c1nc(C3CC3)no1)C2 69706094 WLWDCZXCBNEUFO-JTQLQIEISA-N 302.382 2.239 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1cccn1Cc1cccs1 74689616 LTIBBQRSYUUALW-NSHDSACASA-N 306.387 2.279 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CCS(C)(=O)=O 76468852 ZMTDLAZQVLWYIL-NSHDSACASA-N 317.838 2.164 0 40 DEAB CCn1nc(C)cc1NC(=O)c1nnc2ccc(Cl)cc2n1 46088896 FGLPFCOKEXPDCV-UHFFFAOYSA-N 316.752 2.455 0 40 DEAB CSCC[C@@](C)(O)CNC(=O)c1cc2ccccc2oc1=O 75157491 LRSJQWCNQNXEMH-MRXNPFEDSA-N 321.398 2.027 0 40 DEAB biogenic CC(C)N1CCC(Nc2ccc(N3CCN(C)CC3)nc2)CC1 195558827 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CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2ccnn2C1 96188932 BUOXUHIAEUESHN-LBPRGKRZSA-N 305.403 2.253 0 40 DEAB COc1ccsc1C(=O)NCc1nncn1-c1ccccc1 96404518 RZZZSUNTNLRHCF-UHFFFAOYSA-N 314.370 2.267 0 40 DEAB Cc1ccc(CN2C[C@H](OCC3CCOCC3)[C@H]3COC[C@H]32)o1 96185044 HBNASXCAGIFXIU-KSZLIROESA-N 321.417 2.230 0 40 DEAB COc1ccc(OCc2n[nH]c([C@@H](N)c3ccccc3)n2)cc1 95533421 NEVOSSGFXFRUBG-INIZCTEOSA-N 310.357 2.440 0 40 DEAB Cc1ccc(N2CC[C@@H]3[C@H]2CCN3C(=O)c2occc2C)nn1 96064071 MDLOVUUQVAZBKT-ZIAGYGMSSA-N 312.373 2.180 0 40 DEAB Cc1ccccc1[C@H](O)[C@](C)(Br)S(C)(=O)=O 96521276 NYMVMVVMUUIZAU-WDEREUQCSA-N 307.209 2.184 0 40 DEAB O=C1NC2(CCN(Cc3ccccn3)CC2)C[C@H]1c1ccncc1 96199544 BDMLLXKJPLFPQF-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB Cc1ccc(C)n1Cc1noc2c1CN(c1ncccn1)CC2 96084868 XJTWFZOZQPSJQZ-UHFFFAOYSA-N 309.373 2.494 0 40 DEAB COCc1nc2n(n1)C[C@H](NC[C@@H]1C(C)=CCC[C@@H]1C)CC2 97098927 HOSAAMJLDIMNTJ-RRFJBIMHSA-N 304.438 2.321 0 40 DEAB C[C@H]1CN(c2cncc(N3CCS[C@@H](C)C3)n2)CCS1 252548603 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COc1c(C)cnc(CN2CCC[C@@H](NC(=O)C3CC3)C2)c1C 1238177137 LYWUHRJNONZNJY-OAHLLOKOSA-N 317.433 2.198 0 40 DEAB C[S@](=O)CCNCc1ccc(-c2ccc3ncncc3c2)o1 1569989292 HWUARCCFPXMNRY-QFIPXVFZSA-N 315.398 2.358 0 40 DEAB O=C(O)[C@@H]1Cc2nc[nH]c2[C@H](c2ccc(C(F)(F)F)cc2)N1 5067392 XSIPSVYSEGMJAV-QWRGUYRKSA-N 311.263 2.117 0 40 DEAB O=C1C[C@H](NCCc2ccccc2F)C(=O)N1c1ccccc1 19892134 BGXRJOULWFUOKW-INIZCTEOSA-N 312.344 2.290 0 40 DEAB Cc1cc(Nc2nccs2)nc([C@H]2CCCN(CCO)C2)n1 643550541 JRCUTBAAZGVPSZ-LBPRGKRZSA-N 319.434 2.157 0 40 DEAB CCCCC(=O)NC[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 8925160 JWSGLXFTKNKRJK-ZDUSSCGKSA-N 304.390 2.355 0 40 DEAB Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)C(C)(C)C)C2=O)cc1 4477004 GPNXTSNAHBJLGH-QGZVFWFLSA-N 302.374 2.377 0 40 DEAB Cc1cc(C)n2nc(C(=O)N(C)Cc3ccsc3)nc2n1 23957693 LOMIDRZJOUEWMO-UHFFFAOYSA-N 301.375 2.075 0 40 DEAB O=C(C1CC(F)(F)C1)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 1017462460 RYZZIFQFZKGEEE-GJZGRUSLSA-N 321.371 2.302 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(F)c2C)n1 1443605 YGLKQIKOXSXYPK-UHFFFAOYSA-N 307.350 2.257 0 40 DEAB Cc1ncnc(N2C[C@@H]3CN(c4ncccc4F)C[C@H]3C2)c1C 2086856780 MWZJCCRJCPAZLN-ZIAGYGMSSA-N 313.380 2.200 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1[C@H]2CCC[C@H]1COC2 101466663 RBRNFLKHGRGYTA-MPCGPATOSA-N 301.342 2.208 0 40 DEAB Cc1cc(C(=O)NC[C@H](O)c2ccc3c(c2)OCCO3)c(C)o1 240104278 UOHLUDZTPYCJFK-AWEZNQCLSA-N 317.341 2.131 0 40 DEAB C[C@@H](NS(=O)(=O)N1CCOCC1)c1cccc2ccccc12 40040345 MSJJZMRFZLLENZ-CYBMUJFWSA-N 320.414 2.067 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@H]2C)cc1Cl 40091323 CGHCVHHCORMWOM-ZJUUUORDSA-N 319.810 2.147 0 40 DEAB CC(C)OCc1ccccc1CNC(=O)c1ccc(=O)[nH]c1 32787402 NKXFLLFCDPOFPW-UHFFFAOYSA-N 300.358 2.230 0 40 DEAB CC(C)[C@@H]1NC(=O)N(Cc2cc(Cl)c3c(c2)OCO3)C1=O 32770025 OPQLFZSHVWKTHB-NSHDSACASA-N 310.737 2.145 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 102636486 MUDZBADMEFEEOJ-GASCZTMLSA-N 314.385 2.363 0 40 DEAB CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102709067 DASBYGHZHPNTTL-COPLHBTASA-N 306.387 2.209 0 40 DEAB Cc1occc1C(=O)NCc1ccccc1CN1CCOCC1 21935178 SOOKYQQWLUOVCW-UHFFFAOYSA-N 314.385 2.350 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3CCO[C@H]4CCC[C@H]43)cnc21 53382057 OCDXPVSOZYOCPS-CABCVRRESA-N 314.389 2.406 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2ccc(=O)[nH]n2)C2CC2)o1 42058136 ARLPAYQYYKAWFK-ZWNOBZJWSA-N 313.357 2.291 0 40 DEAB CCNC(=O)c1ccc(N[C@H]2CCOC3(CCCC3)C2)nn1 104299227 RPNXHULNIZAUFY-LBPRGKRZSA-N 304.394 2.130 0 40 DEAB COc1cccc(NC(=O)COC(=O)c2ccc(C)nc2)c1 72330193 OMFXFCQZFQQPGP-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB CO[C@@H](C)C(=O)Nc1cc(C)c(NC(=O)[C@@H](C)OC)cc1C 77568466 WVYMXEQAFJSZLK-TXEJJXNPSA-N 308.378 2.250 0 40 DEAB COC[C@@H](C)NC(=O)Cn1c(C(F)(F)F)nc2ccccc21 23055647 JZILZPIIPVBWGY-SECBINFHSA-N 315.295 2.206 0 40 DEAB C[C@H]1CN(CC(=O)NC2CCOCC2)c2ccccc2S1 79074778 ICSHVIMRTMMMHK-LBPRGKRZSA-N 306.431 2.282 0 40 DEAB Cc1cc(=O)n2nc(NC[C@H]3CC3(Cl)Cl)sc2n1 23185261 NISHJBDDXUAHNQ-ZCFIWIBFSA-N 305.190 2.065 0 40 DEAB Cc1ccc(OCCNC(=O)C(=O)Nc2ccc(F)cc2)cc1 3094721 PZRXQUCUIWLMFR-UHFFFAOYSA-N 316.332 2.268 0 40 DEAB CCOC(=O)NC(=O)CSc1nc2ccccc2n1CC 4484483 OFKLVLUMCLWZKX-UHFFFAOYSA-N 307.375 2.421 0 40 DEAB O=C1[C@H]2CCCCN2C(=O)N1C[C@H](O)c1ccc(Cl)cc1 42754563 MTUGHZLYQWUDRI-OLZOCXBDSA-N 308.765 2.190 0 40 DEAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(N(CC)CC)cc2)C1 57367078 HONFNBYFYFYJRJ-ZDUSSCGKSA-N 304.390 2.449 0 40 DEAB CCN(C[C@H]1COc2ccccc2O1)C(=O)Nc1nncs1 43128643 IRNWTDIXTSMGGI-JTQLQIEISA-N 320.374 2.232 0 40 DEAB COc1ncccc1C(=O)NC[C@H](c1ccsc1)N(C)C 25332372 PGESAEGFZXHTJQ-CYBMUJFWSA-N 305.403 2.184 0 40 DEAB CN(CC1CCC1)C(=O)N[C@H]1CCC[C@H](C(=O)NC2CC2)C1 95397957 VRNCTQIVJHWDES-ZFWWWQNUSA-N 307.438 2.265 0 40 DEAB C/C(=C\C(=O)N(CC(N)=O)C1CCCC1)c1ccccc1F 56412872 CSQGEBAQDZCWSV-ZRDIBKRKSA-N 304.365 2.486 0 40 DEAB O=C(O)[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CCO1 43701596 HJABPKRFDPVPAT-SNVBAGLBSA-N 322.119 2.058 0 40 DEAB CN(CCCNC(=O)N[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)cc1 108105461 YTAGPRZHQKJGLB-OWCLPIDISA-N 321.396 2.271 0 40 DEAB 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Cc1nn(C)cc1CN1CCN(CC(F)(F)F)CC1(C)C 97139477 DVQIXLMTAAFFNY-UHFFFAOYSA-N 304.360 2.187 0 40 DEAB CCOc1ccccc1OC1CCN(C(=O)c2cc[nH]n2)CC1 55623279 GBTRDCBRNCJXAT-UHFFFAOYSA-N 315.373 2.492 0 40 DEAB COc1ccc(OC)c(CNC(=O)Nc2cc(C)nn2C)c1 43433998 CGBIZFLMICCCGR-UHFFFAOYSA-N 304.350 2.067 0 40 DEAB Cc1cc(C(=O)Cn2ccc(C(=O)OC(C)C)cc2=O)c(C)[nH]1 97115329 XNBNYPMXMQNEPZ-UHFFFAOYSA-N 316.357 2.241 0 40 DEAB O=C(c1ccco1)n1nc(Br)nc1Br 1406237 JITXJUCPMROHHH-UHFFFAOYSA-N 320.928 2.085 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)c1ccccn1)c1cccc(F)c1 12531812 JPTNCBJFINRXPG-HNNXBMFYSA-N 310.332 2.474 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2sc(C)nc2C)C1 56022522 SQOONERANVGXLY-GWCFXTLKSA-N 309.435 2.196 0 40 DEAB CC(C)N(Cc1cnn(C)c1)C(=O)COc1ccc(F)cc1 56025861 GNFBMXJGBZSJEO-UHFFFAOYSA-N 305.353 2.375 0 40 DEAB Cc1ccc(C)c2c(C)c(C(=O)N3CC[C@H](C(N)=O)C3)oc12 56412770 DBFSWUJPUDVPDX-LBPRGKRZSA-N 300.358 2.305 0 40 DEAB O=C1COc2ccc(C(=O)COC(=O)C3CCCCC3)cc2N1 3258967 HICMGVJAQFLNDT-UHFFFAOYSA-N 317.341 2.324 0 40 DEAB COc1cc(C(=O)OCC(=O)c2ccc[nH]2)cc2c1O[C@@H](C)C2 12686793 OJWPOBCGDPFHQN-JTQLQIEISA-N 315.325 2.386 0 40 DEAB Cc1noc(C)c1NC(=O)c1csc(-c2cnn(C)c2)n1 58180788 YTRSDGQHJZEOJL-UHFFFAOYSA-N 303.347 2.401 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)Nc1nnc(-c2ccco2)s1 44892995 FJBPNFQRARXETC-UHFFFAOYSA-N 317.374 2.330 0 40 DEAB Cc1cccnc1NC(=O)CN1C(=O)CSc2ccccc21 27651320 BXKBQZMIUHMNQR-UHFFFAOYSA-N 313.382 2.467 0 40 DEAB O=C(CNc1ncnc2ccsc12)NCCc1ccccc1 58282277 KLMHVTGYEIBZPI-UHFFFAOYSA-N 312.398 2.462 0 40 DEAB C[C@H](OC[C@@H](O)CNc1cc(Cl)nc(N)n1)c1ccccc1 44976139 ASAVMTAIFWMTDN-JQWIXIFHSA-N 322.796 2.263 0 40 DEAB CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)nc2)CCO1 44968543 GHEUPMPYIIOLCL-HNNXBMFYSA-N 318.421 2.002 0 40 DEAB CCN1CC[C@@H](CNC(=O)NCc2nc3ccccc3s2)C1 44966209 MFPUSGRUJROIGN-LBPRGKRZSA-N 318.446 2.437 0 40 DEAB O=C(c1nnc2sc(-c3ccccc3F)nn12)N1CCCC1 57354597 ILRHAKNVFXLLBX-UHFFFAOYSA-N 317.349 2.228 0 40 DEAB CCCN(CCc1ccccn1)C(=O)CNC(=O)CC(C)(C)C 58332210 DSAHWFNYVVYTMN-UHFFFAOYSA-N 319.449 2.415 0 40 DEAB CN1CCO[C@H](CNC(=O)CCc2ccc3ccccc3c2)C1 58323440 FYQDWBDGDRJRHR-GOSISDBHSA-N 312.413 2.219 0 40 DEAB C[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)[C@H]1C[C@@H]2CC[C@@H]1C2 101986727 LTAOCZHNULTUGQ-OQKXLLOCSA-N 303.402 2.450 0 40 DEAB CCCN(CC(=O)O)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 95970016 OUSYKXLDXHNTGB-BXUZGUMPSA-N 318.373 2.218 0 40 DEAB COc1ccc(C(=O)Nc2n[nH]c(-c3ccc(F)cc3)n2)cn1 28685350 INNDENRUNBKQSA-UHFFFAOYSA-N 313.292 2.267 0 40 DEAB COc1ccc2cc(C(=O)N3CCO[C@H](C)C3)c(C)nc2c1 11503142 DKKLGDJTCQDPBL-LLVKDONJSA-N 300.358 2.413 0 40 DEAB CCCCN(C)CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 12859864 UWEGKTRBXMEKHT-UHFFFAOYSA-N 323.462 2.396 0 40 DEAB Cc1noc(C)c1CN1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 47091909 MZACURZMGAJVBM-UHFFFAOYSA-N 322.796 2.231 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)CCn2ccc(C)n2)c1 2805396 SZCKTUHKCWJYEP-CYBMUJFWSA-N 317.389 2.476 0 40 DEAB CCOC(=O)CCCNC(=O)c1ccc(OCC)c(OC)c1 3405731 SPBMLQWEMUKXTQ-UHFFFAOYSA-N 309.362 2.167 0 40 DEAB CCCN(C)C[C@@H]1CCN(C(=O)Nc2cccnc2OC)C1 72304801 PBLMXFKXVFOMDQ-ZDUSSCGKSA-N 306.410 2.286 0 40 DEAB O[C@H](CN1CCn2ccnc2C1)c1cccc(C(F)(F)F)c1 97201577 IEYVVDNDYLAJQH-CYBMUJFWSA-N 311.307 2.451 0 40 DEAB OCCNC[C@H](O)CN1c2ccccc2Sc2ccccc21 3902833 DYMIJVHRNQRZDH-ZDUSSCGKSA-N 316.426 2.232 0 40 DEAB O=C(O)Cc1ccc(OCC(=O)NCC2CCCCC2)cc1 13420743 PUQJYQVZWRADNV-UHFFFAOYSA-N 305.374 2.389 0 40 DEAB O=c1[nH]c2ccc(NC(=S)NCCc3ccccc3)cc2[nH]1 13637259 FGVJKFJYZJAFTE-UHFFFAOYSA-N 312.398 2.385 0 40 DEAB CCCc1nn([C@H]2CCCN(c3ccccc3)C2=O)c(=O)o1 95416434 NSLCIWJPJQGXBP-ZDUSSCGKSA-N 301.346 2.157 0 40 DEAB CN1C(=O)N[C@@](C)([C@@H]2CCCN(CCC3CCCC3)C2)C1=O 95402580 FWLBVXUWHBOZKH-PBHICJAKSA-N 307.438 2.219 0 40 DEAB CC(C)(NC(=O)c1cnc(-c2ccccc2Cl)s1)C(N)=O 65423075 BRLKPKQTTVZCFC-UHFFFAOYSA-N 323.805 2.457 0 40 DEAB COc1c(CN[C@H](C)C(=O)NC2CCCC2)c(C(C)C)nn1C 65474475 AZSCMNGBKZJJSI-GFCCVEGCSA-N 322.453 2.089 0 40 DEAB CC[C@]1(C)NC(=O)N(NC(=O)Nc2ccc(Cl)cc2)C1=O 14120408 ZGKLRHHWQLBTCW-ZDUSSCGKSA-N 310.741 2.097 0 40 DEAB CN1CCO[C@@H](CNCc2ccc(OCC(F)(F)F)cc2)C1 65624312 NWYPDJWEHLLIQA-AWEZNQCLSA-N 318.339 2.048 0 40 DEAB CC1=NN(C(=O)Cc2ccc(Cl)cc2)[C@](O)(C(F)F)C1 5614447 AFQLXONBKWILCE-CYBMUJFWSA-N 302.708 2.444 0 40 DEAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccccn2)cc1C 67283990 KPIRWUAZRAYXOZ-UHFFFAOYSA-N 322.372 2.490 0 40 DEAB Cc1ccc(N2CC[C@@H](NC(=O)c3ccnc(F)c3)C2=O)cc1 96423447 VKTCNILFPUCDTD-CQSZACIVSA-N 313.332 2.064 0 40 DEAB CCc1ncc2c(n1)CN(Cc1nc3ccccc3n1C)CC2 70016728 ISPNHOLJAXAYMH-UHFFFAOYSA-N 307.401 2.484 0 40 DEAB CCn1c(C)cc(C(=O)COc2ccccc2C(N)=O)c1C 8428194 RGFDRDMMSGWLBY-UHFFFAOYSA-N 300.358 2.485 0 40 DEAB Cn1cc(CCC(=O)Nc2cnc(-c3cccc(O)c3)nc2)cn1 69535888 WTLSPHLHVNLILK-UHFFFAOYSA-N 323.356 2.154 0 40 DEAB C[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NCc1cccs1 69567137 GMERUUFZSBOXOM-VIFPVBQESA-N 317.370 2.299 0 40 DEAB CN(Cc1cccs1)C(=O)[C@H]1CSCN1C(=O)C1CCC1 69532798 JVHVVJWYHOAONW-CYBMUJFWSA-N 324.471 2.408 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H](n2ccnc2)C1 69660377 UBYRPJRBWCFYCN-CYBMUJFWSA-N 313.357 2.132 0 40 DEAB CCn1nc(C)cc1C(=O)NC[C@](C)(O)c1ccc(F)cc1F 71907928 OPNOEOLJCIOZEF-INIZCTEOSA-N 323.343 2.127 0 40 DEAB CCCc1cc(N[C@@H](c2n[nH]c(C)n2)C(C)C)n2ncnc2n1 71922393 VKHHDNLLFZAQBG-CYBMUJFWSA-N 314.397 2.313 0 40 DEAB O=C1NC[C@@H]2CN(Cc3nc(-c4ccccc4)cs3)CCN12 91864674 NAEJGLNHNHPKQD-CYBMUJFWSA-N 314.414 2.020 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)c2cc(Cl)ccc2F)CC1 69928150 RRVYIDGIJLVMGN-GFCCVEGCSA-N 314.788 2.008 0 40 DEAB Cc1ccnc([C@@H](Nc2cnn(C)c(=O)c2Cl)C2CC2)n1 92692698 DIRWRAANJPUFOK-LBPRGKRZSA-N 305.769 2.095 0 40 DEAB CN(Cc1cn(C)nc1-c1cccs1)C1CCS(=O)CC1 97033973 JARCZRBNPBWBBM-UHFFFAOYSA-N 323.487 2.492 0 40 DEAB COc1cc(C(=O)N[C@H](C)CCn2cncn2)ccc1Cl 97022180 GNSNOBXLQHHOBW-SNVBAGLBSA-N 308.769 2.149 0 40 DEAB c1csc(CN(C[C@H]2CCCO2)c2nccn3cnnc23)c1 97020042 MFHITHJUEOIJCX-GFCCVEGCSA-N 315.402 2.371 0 40 DEAB CCO[C@@H]1C[C@@H]1C(=O)N(Cc1ccncc1)Cc1cccnc1 72281813 QMJNCGWNKYBKCN-DLBZAZTESA-N 311.385 2.430 0 40 DEAB C[C@H](Nc1cnn(CCN(C)C)c1)c1ccc2c(c1)OCO2 95991181 AERQYQFZLHIGCA-LBPRGKRZSA-N 302.378 2.347 0 40 DEAB CN(Cc1ccc(F)cc1F)c1nccc(N2CCOCC2)n1 95967019 FEOJFFUNWCHTID-UHFFFAOYSA-N 320.343 2.228 0 40 DEAB C[C@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCN(C)CC1 89905204 IRWGUQRJSOJNHU-CYBMUJFWSA-N 309.841 2.107 0 40 DEAB CCCNC(=O)c1nc([C@H]2CCCN2C(C)=O)n2ccccc12 306125392 COTGWNZRXYHQMV-CQSZACIVSA-N 314.389 2.158 0 40 DEAB O=C(Nc1ccc(-n2cccn2)cc1)NC1CCC(O)CC1 125942184 RZZBMLXDALAIJE-UHFFFAOYSA-N 300.362 2.297 0 40 DEAB CC(C)c1nc([C@@H](C)NC(=O)CNC(=O)c2ccoc2)cs1 77615009 KOUKUPOZMKSXQP-SNVBAGLBSA-N 321.402 2.467 0 40 DEAB Cn1ccnc(N2CCC[C@@H](c3nc4ccccc4o3)C2)c1=O 364035912 IPSGLYFMMGHRQR-GFCCVEGCSA-N 310.357 2.306 0 40 DEAB Cc1sc(C(=O)O)cc1CN1CCC[C@@H](n2cncn2)C1 569251173 JQJZDRHFOGKVFV-GFCCVEGCSA-N 306.391 2.183 0 40 DEAB CCOC(=O)c1[nH]c(C)c(CN2C[C@H]3CCCN3C[C@H]2C)c1C 72324713 WVCYMBYLNNTMCB-IUODEOHRSA-N 319.449 2.477 0 40 DEAB Cc1ccc(S(=O)(=O)n2cc(C=O)c3cccnc32)cc1 38540616 KNUNHLCRCRUQIK-UHFFFAOYSA-N 300.339 2.394 0 40 DEAB COc1cccc([C@@H](O)CNC(=O)Cc2cccc(F)c2)c1 74559326 ODIXIEVCMPENKH-INIZCTEOSA-N 303.333 2.227 0 40 DEAB O=C(NCCc1ccc(F)cc1)c1cc2c([nH]c1=O)CCCC2 49551815 XGENPHGPJHSSNJ-UHFFFAOYSA-N 314.360 2.365 0 40 DEAB CCOCCCNC(=O)c1ccc(OCc2noc(C)n2)cc1 44892277 WDMLLAWOLSIKRH-UHFFFAOYSA-N 319.361 2.113 0 40 DEAB CC(C)C(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386249 KEYKVSHDYWCZLC-AWEZNQCLSA-N 300.358 2.211 0 40 DEAB COC(=O)N1CCC([C@H](C)NC[C@@H](O)C2CCCCC2)CC1 225599424 FXDPOVRHLTXGTM-XJKSGUPXSA-N 312.454 2.384 0 40 DEAB Cc1ncsc1C(=O)N[C@@H]1c2ccccc2CC[C@H]1CO 225390557 GGIONSVYYLCIRN-JSGCOSHPSA-N 302.399 2.477 0 40 DEAB CCNc1ccc(Cl)cc1C(=O)NCCc1nc(C)no1 192201508 RASDEQBHFNSYFF-UHFFFAOYSA-N 308.769 2.436 0 40 DEAB C[C@@]1(C(=O)NCc2ccccn2)Sc2ccccc2NC1=O 40774135 GNCXBDZASUUSFD-INIZCTEOSA-N 313.382 2.201 0 40 DEAB COc1ccccc1CCCNS(=O)(=O)c1c(C)noc1C 223262000 JWFSQMIAYZAXOR-UHFFFAOYSA-N 324.402 2.211 0 40 DEAB CCN(CC)C(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 44949807 PAYIEZCHNAQFHF-UHFFFAOYSA-N 324.446 2.094 0 40 DEAB Cc1ccc(CC(=O)N[C@H]2CCC[C@H]2O)cc1Br 225482067 WWNKATAWQFPMNA-QWHCGFSZSA-N 312.207 2.330 0 40 DEAB CCCCN(CC(N)=O)C(=O)/C=C/c1cccc2cccnc12 49744016 AYHOFPFRIILSPD-MDZDMXLPSA-N 311.385 2.362 0 40 DEAB COCCNC(=O)c1ccccc1Nc1nc(C)cc(C)n1 225917106 ONPMIVUUWRKNQA-UHFFFAOYSA-N 300.362 2.213 0 40 DEAB C[C@@H](CNc1nccn2c(C3CC3)nnc12)CN1CCCC1 195575075 OMRIBXXVJUXDIV-LBPRGKRZSA-N 300.410 2.146 0 40 DEAB COCCOC1CN(C(=O)[C@@H]2C[C@]23CCCc2ccccc23)C1 97212834 IUJTVUBHLALWQF-HKUYNNGSSA-N 315.413 2.154 0 40 DEAB O=C(CNc1ccc(O[C@@H]2CCOC2)cc1)NCc1ccco1 96417388 BZKIJKUDXACTQW-MRXNPFEDSA-N 316.357 2.176 0 40 DEAB C[C@H](CN1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1 91514227 CIDXYTHWMKVANC-OAHLLOKOSA-N 323.868 2.183 0 40 DEAB CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(=O)[nH]c2)c1 96410204 LIMLICAUWUQACM-MRXNPFEDSA-N 311.385 2.418 0 40 DEAB CN(C)C[C@H]1CC[C@@]2(COCCN(Cc3cccs3)C2)O1 96052274 YUIPJUFKZGTYBD-GDBMZVCRSA-N 310.463 2.060 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)C(=O)O 96221930 FOKBJVQKHDYYOO-BZNIZROVSA-N 321.373 2.006 0 40 DEAB biogenic C[C@@H](NC[C@@H]1Cc2ccccc2O1)c1ccc(-n2cnnn2)cc1 96476519 NPGHRTOOFBDTEH-DYVFJYSZSA-N 321.384 2.317 0 40 DEAB CNC(=O)CC1CCN(C(=O)NC[C@@H](C)c2ccsc2)CC1 96444910 NPYGCGJKSRXORR-GFCCVEGCSA-N 323.462 2.409 0 40 DEAB CN(CCO)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 242750550 ZSHOWMOZMRPPRU-CVEARBPZSA-N 306.406 2.148 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3c[nH]cn3)CC2)cn1 257294099 QSKLTJBOMNZQGB-ZDUSSCGKSA-N 300.410 2.086 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cncc(-c3c(C)noc3C)n2)C1 257236769 HDSDDLXPBBEJNE-ZDUSSCGKSA-N 300.362 2.159 0 40 DEAB O=C(CN1CCCC1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257289156 PXFHFKHNLMBIAA-JQHSSLGASA-N 314.429 2.398 0 40 DEAB CC(=O)N1CCC(N2CCC[C@@H]2c2ccnc(N(C)C)c2)CC1 257309663 UBWCWEQYSNYWPJ-QGZVFWFLSA-N 316.449 2.295 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2nccc3ccccc23)n1 257242923 IESWKLNVBPDRIK-HNNXBMFYSA-N 322.368 2.480 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H](c3ccncn3)C2)cc1 257243215 IFXPPEZWZSPIMU-HNNXBMFYSA-N 311.385 2.434 0 40 DEAB Cc1nc([C@H]2CCNC2)nc2c1CCC(=O)N2Cc1ccccc1 257227191 FOBFZFSLNBSZBP-HNNXBMFYSA-N 322.412 2.341 0 40 DEAB COc1ccc(S(=O)(=O)NCCCc2cc(C)no2)cc1C 253471889 GKPQHBUKCKPDHD-UHFFFAOYSA-N 324.402 2.211 0 40 DEAB CC[C@@H]1CCCC[C@H]1OCC(=O)Nc1cc(N(C)C)ncn1 298569002 HDRKEDKPAFUWKC-CHWSQXEVSA-N 306.410 2.467 0 40 DEAB CC(C)C(=O)N1Cc2cccn2C[C@@H](Oc2ncccc2F)C1 575404774 DKTBVYKDBJIQJA-CQSZACIVSA-N 317.364 2.468 0 40 DEAB CCCCN1CCC[C@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 585100065 DRFIFYYLYRPCMC-SFHVURJKSA-N 323.481 2.158 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)c[nH]1 34957205 NPXAUSCSXSIRND-UHFFFAOYSA-N 318.713 2.306 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCN(Cc2cccnc2)CC1 54486126 HPIZFNYWZIQHOT-UHFFFAOYSA-N 318.808 2.032 0 40 DEAB Cc1ccc(O)c(C(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 56952828 OWCKKBHYEAAVEC-CYBMUJFWSA-N 301.346 2.328 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(C(=O)c3cc(C)oc3C)CCO2)n1 76045798 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DEAB CCc1ccc([C@@H](NC(=O)N2CCO[C@@H](CO)C2)C(C)C)cc1 78838226 URAYJXYEIVHZQD-SJORKVTESA-N 320.433 2.349 0 40 DEAB N[C@@H](Cc1cc(Br)ccc1Br)C(=O)O 6224394 BLPQUKKGXNVOIA-QMMMGPOBSA-N 322.984 2.166 0 40 DEAB Cc1cc(C)nc(SCc2cc(=O)n3c(n2)SCC3)n1 10382096 ZADUARYHTNIJFK-UHFFFAOYSA-N 306.416 2.048 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@H]2CCc2ccccc2)CC1=O 55487206 KSBHMDRYJKGAGC-IRXDYDNUSA-N 314.429 2.479 0 40 DEAB COCCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 10951429 XGAVNWIRDQNAGD-UHFFFAOYSA-N 321.446 2.445 0 40 DEAB O=C(NCc1ccnc(N2CCOCC2)c1)C1CCCCC1 25290158 PTWLTCJUXKXPAB-UHFFFAOYSA-N 303.406 2.115 0 40 DEAB COc1ccc(NC(=O)CN(C)C(=O)Cc2ccsc2)cc1 8313304 DWJVPRCOUPDZIY-UHFFFAOYSA-N 318.398 2.396 0 40 DEAB CC(C)C(=O)NCCNC(=O)COc1ccc(C(C)C)cc1 25455968 ZUVDLFJDLGRKDT-UHFFFAOYSA-N 306.406 2.077 0 40 DEAB Cc1c(C(=O)N2CCO[C@@H](C(=O)O)C2)sc2ccccc12 43701102 QVXFFRKAFFUZGC-LLVKDONJSA-N 305.355 2.135 0 40 DEAB COc1ccc([C@H](C)NC(=O)COC(=O)c2ccoc2)cc1 57472185 GOTMXNHFYOQCHK-NSHDSACASA-N 303.314 2.322 0 40 DEAB C[C@H](c1ccccn1)N1CCN(C(=O)c2cscn2)CC1 97378940 FTBNVPYNNWDYFP-GFCCVEGCSA-N 302.403 2.057 0 40 DEAB CCCCn1c(N)c(S(C)(=O)=O)c2nc3ccccc3nc21 1853689 IPDFLODDIPXDSK-UHFFFAOYSA-N 318.402 2.370 0 40 DEAB CC1(NC(=O)c2ccc(Br)cc2O)CCOCC1 93099690 MAEIQYQBXPIBGW-UHFFFAOYSA-N 314.179 2.454 0 40 DEAB O=c1/c(=C/c2ccco2)sc2nc(/C=C/c3ccccc3)nn12 27022436 ZELFAWRSJCQJML-LSHJULRISA-N 321.361 2.462 0 40 DEAB NC(=O)c1ccc(Cl)c(NS(=O)(=O)c2cccs2)c1 27597921 MRTQTZSWZBXDCA-UHFFFAOYSA-N 316.791 2.301 0 40 DEAB O=C(NCc1nnc2n1CCCCC2)c1ccc2ccccc2n1 44868439 XWGVJCDZBSXXIE-UHFFFAOYSA-N 321.384 2.483 0 40 DEAB C[C@@H]1CCCCN1C(=O)COc1cc(Cl)ccc1C(N)=O 58295071 UGZBVFDAKKGMPS-SNVBAGLBSA-N 310.781 2.219 0 40 DEAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)n2cncn2)cc1OC 44943031 POJFXTPZNLOKBM-NEPJUHHUSA-N 318.377 2.042 0 40 DEAB C[C@@H](NC(=O)CCCn1c(=O)oc2ccccc21)[C@@H]1CCCO1 27859052 QOTVDPNAFCGHIP-OCCSQVGLSA-N 318.373 2.058 0 40 DEAB CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CN1CCOC1=O 95399714 FAKDGYWGSWJBMD-GOEBONIOSA-N 318.417 2.458 0 40 DEAB C[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 58421669 ANDBPDDMXYYUND-GFCCVEGCSA-N 309.362 2.402 0 40 DEAB CC[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)C(=O)O 95377544 WITBFDKXIUJZMW-CYBMUJFWSA-N 303.314 2.452 0 40 DEAB NC(=O)c1cccnc1N1CCC[C@H](C(=O)Nc2ccccc2)C1 29431334 OJWVGEAULJFAHF-ZDUSSCGKSA-N 324.384 2.036 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)O)C1 36983368 LTTRVDPUTZEJLM-SNVBAGLBSA-N 317.794 2.134 0 40 DEAB CC1(C)CCC[C@]2(C)C[C@H](CC(=O)NCCO)[C@](C)(O)C[C@@H]12 101648886 SISCKMLKKGJVGI-LBTBCDHLSA-N 311.466 2.479 0 40 DEAB COc1ccccc1[C@H](O)CNC(=O)Nc1ncccc1C 47008009 BEHVTBUKKMIFPX-CYBMUJFWSA-N 301.346 2.254 0 40 DEAB COc1cc2c(cc1CNCCc1cnn(C)c1)O[C@@H](C)C2 48784523 DYDBAABBESFQCF-LBPRGKRZSA-N 301.390 2.084 0 40 DEAB Cc1ccc(C(=O)O)cc1OCC(=O)NCCCOC(C)C 13278166 YDCVPNDLEPJMSS-UHFFFAOYSA-N 309.362 2.003 0 40 DEAB CC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C[C@@H]1CCCO1 9237739 CSXLBUADUMPZHC-INIZCTEOSA-N 314.385 2.364 0 40 DEAB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3nc(C)nn32)c(Cl)c1 13733015 XBSODOGOSNPYAQ-LLVKDONJSA-N 319.752 2.070 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@H]1c1ccc(F)cc1 72242224 MPFCEZKDSGBJFR-WCQYABFASA-N 319.361 2.440 0 40 DEAB COCCCNC(=O)[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C)C(C)C 13942070 GQHODXXGSBGAOS-RRFJBIMHSA-N 312.454 2.106 0 40 DEAB CC(C)(C)c1n[nH]cc1CNC[C@H]([C@H]1CCOC1)N1CCCC1 65463016 XCGPKGTUWZPQKT-GOEBONIOSA-N 320.481 2.298 0 40 DEAB CC(C)c1ncncc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 65415373 VKJGRYJQMPMBDH-ZIAGYGMSSA-N 304.438 2.308 0 40 DEAB C[S@](=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 14202861 GJEBBMOTNWBGAL-JOCHJYFZSA-N 317.366 2.083 0 40 DEAB NC(=O)C1CCN(C(=O)Cc2c(Cl)cccc2Cl)CC1 6566678 KCTRTVVNFYUVQR-UHFFFAOYSA-N 315.200 2.260 0 40 DEAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)nn2)c2ccccc2N1 72281614 CVGWQIZEXXYMNO-SECBINFHSA-N 302.721 2.195 0 40 DEAB CN(C)Cc1ccccc1CNS(=O)(=O)c1ccc(F)cc1 15360858 MFQVRBAVXIXJRM-UHFFFAOYSA-N 322.405 2.366 0 40 DEAB CCc1nc(CC(=O)N2CCOC[C@@H]2c2cccn2C)cs1 97143890 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O=S(=O)(Cc1ccccc1)N[C@@H]1CCc2c(O)cccc21 76018863 YKHPZOIFPNCUHR-OAHLLOKOSA-N 303.383 2.499 0 40 DEAB C[C@@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@@H](C2CC2)O1 529219830 WPHSPDUFLXILAC-YGRLFVJLSA-N 303.337 2.113 0 40 DEAB NC(=O)NC(=O)CCSc1cccc(Br)c1 69773361 LRVVVFZUWBTEFS-UHFFFAOYSA-N 303.181 2.126 0 40 DEAB CC(C)c1ccccc1OCc1ncc(CC(=O)O)c(=O)[nH]1 217387594 CAKZPBSTUJEXMC-UHFFFAOYSA-N 302.330 2.099 0 40 DEAB CCC[C@@H](N)C(=O)N1CCN([C@@H](C)c2cccc(OC)c2)CC1 195543791 QVCXPZIJHXGQSC-WMLDXEAASA-N 319.449 2.028 0 40 DEAB COc1ccccc1[C@H]1CC[C@H](C)CN1Cc1nc(=O)n(C)[nH]1 329041125 DMGUKDUJHWYQBG-GXTWGEPZSA-N 316.405 2.090 0 40 DEAB CN(C)c1cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)ccn1 69816488 GUCCOVDMPMOFMY-UHFFFAOYSA-N 324.384 2.309 0 40 DEAB Cc1c(C(=O)N[C@@H](C)C(C)C)cccc1N(C)S(C)(=O)=O 225228610 SVBPBCKABAJMAG-LBPRGKRZSA-N 312.435 2.165 0 40 DEAB CNS(=O)(=O)c1ccc(C)c(NC(=O)c2ccoc2C)c1 47329675 QBJSDNXLJYEKAC-UHFFFAOYSA-N 308.359 2.057 0 40 DEAB CS(=O)(=O)N(CC(=O)NCC1CCCCC1)c1ccccc1 223615513 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DEAB Cc1nc([C@@H]2CN(CCOc3ccccc3C)CCO2)no1 95958154 PUPGGSMQOTWXDD-HNNXBMFYSA-N 303.362 2.139 0 40 DEAB O=S(=O)(c1cccs1)N1C[C@H]2CC[C@H]1[C@@H]2OCC1CC1 247319899 LIDAPPRCMCLDAC-MBNYWOFBSA-N 313.444 2.326 0 40 DEAB CC1(C)[C@H](NC[C@H](O)COc2ccc(F)cc2)[C@@H]2CCCO[C@H]21 253370163 NBXUJPPVBRTLII-QMCVQRASSA-N 323.408 2.359 0 40 DEAB O=C1CC[C@@H](C(=O)NCC2(c3ccc(F)cc3)CCCCC2)N1 64312238 QALZCXDCIYQWKW-HNNXBMFYSA-N 318.392 2.422 0 40 DEAB CNc1cncc([C@@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 257294491 QUKLSYFRVMWXDF-AWEZNQCLSA-N 318.421 2.267 0 40 DEAB COC[C@@H]1CN(Cc2ccc(Cl)cc2)CCN(C(C)=O)C1 257246349 ITRJSHIPSKFXLH-OAHLLOKOSA-N 310.825 2.267 0 40 DEAB Nc1nnc(CCn2nc(C(F)(F)F)cc2C2CC2)s1 575441380 JVWUMRSJRUEPIY-UHFFFAOYSA-N 303.313 2.456 0 40 DEAB CC[C@@H](COc1ccccc1)NC(=O)c1cc(C(N)=O)cs1 72893995 VKQFYQMCAMROTB-LBPRGKRZSA-N 318.398 2.434 0 40 DEAB CC(=O)N1CCN(C(=O)C2(c3cc(C)cc(C)c3)CCC2)CC1 54850880 KMMUSKZTWFEUDF-UHFFFAOYSA-N 314.429 2.416 0 40 DEAB O=C(NCCc1ccsc1)N1CCN(c2ccncc2)CC1 40511864 XEAPYEDLACFUEF-UHFFFAOYSA-N 316.430 2.217 0 40 DEAB O=C(NCc1cccc(Cl)c1)[C@@H]1CCCN1c1ncccn1 80468173 ORKOPDMISLXEKT-AWEZNQCLSA-N 316.792 2.415 0 40 DEAB O=S(=O)(NCCOCc1ccccc1)c1ccc(F)cc1 80799515 FCGDSYJTXOUGLN-UHFFFAOYSA-N 309.362 2.321 0 40 DEAB CC(C)C(=O)N(C)C1CN(c2ccc(-c3ccccc3)nn2)C1 1775976246 WVTFYFCZAOOQLR-UHFFFAOYSA-N 310.401 2.447 0 40 DEAB CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)Nc1ccon1 14034043 OMPMNWXZMCCXJA-SECBINFHSA-N 320.374 2.030 0 40 DEAB Ic1cccc(O[C@@H]2CCCNC2)c1 14631688 HAZKFDIMIVGGDA-LLVKDONJSA-N 303.143 2.422 0 40 DEAB Cn1ncc2c1CCCN(C(=O)COc1ccc(F)cc1F)C2 19289637 JDZNVXQUFULCAC-UHFFFAOYSA-N 321.327 2.052 0 40 DEAB CC(C)CCOc1ccc([C@@H](C)NC(=O)[C@H]2COCCN2)cc1 154289208 NLJKMTINSFIVQU-RHSMWYFYSA-N 320.433 2.277 0 40 DEAB CCCOc1cc(N2CCN(C(=O)CC(C)C)CC2)nc(C)n1 12223703 OWTXTSSVNLVUQX-UHFFFAOYSA-N 320.437 2.269 0 40 DEAB O=C([C@@H]1CN(Cc2ccccc2F)CCO1)N1CCCCC1 1888843822 FDEFFSUDDLLKRY-INIZCTEOSA-N 306.381 2.039 0 40 DEAB COc1cc2c(cc1OC)CN(c1nccn3nccc13)CC2 1888897750 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Cc1cnc([C@@H](C)CNC(=O)Nc2cnc(N(C)C)nc2)s1 97113474 JFVREIVSDQFMSJ-VIFPVBQESA-N 320.422 2.233 0 40 DEAB Cc1ccccc1CCc1cc(NC(=O)c2cnn(C)c2)[nH]n1 97108313 QJXAIIFKNULMBP-UHFFFAOYSA-N 309.373 2.489 0 40 DEAB Cc1cc(C)nc(N2CCC[C@H](C(=O)Nc3nccs3)C2)n1 79487990 VAQSUPWVWTXABW-LBPRGKRZSA-N 317.418 2.405 0 40 DEAB O=c1[nH]ncc(NCc2cccc(Cn3cccn3)c2)c1Cl 54837032 WCAQOZMUKVKNQQ-UHFFFAOYSA-N 315.764 2.280 0 40 DEAB CCOC(=O)N1CCC(NC(=O)[C@H](C)Oc2ccccc2)CC1 24471374 KFFCIVQAYDDXTP-ZDUSSCGKSA-N 320.389 2.191 0 40 DEAB Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 8207061 CRXDBTIDPJUTNC-UHFFFAOYSA-N 322.361 2.051 0 40 DEAB Cc1ccc(-c2noc(CN3CCN(C)C[C@H]3C)n2)cc1F 107580840 MDKRTHXAHQCYCM-GFCCVEGCSA-N 304.369 2.320 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(CNC(N)=O)cc1 44866138 HCZNPTLACFYSME-GFCCVEGCSA-N 309.369 2.446 0 40 DEAB C[C@@H](NC(=O)CCn1c(=O)n(C)c2ccccc21)c1ccncc1 44894468 FAYGEHDIAUFSBC-CYBMUJFWSA-N 324.384 2.003 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2ccc(OCC)c(C)c2)CC1 22250736 MRLQQQYJMQQXQQ-UHFFFAOYSA-N 320.389 2.308 0 40 DEAB Cc1nc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)cs1 44967350 ZLNLTLOXFIKYLD-CYBMUJFWSA-N 309.366 2.123 0 40 DEAB Cc1cccnc1CN1CCC2(CC1)CC(NC(=O)N(C)C)C2 108528484 XRXSOPLDKVSEFH-UHFFFAOYSA-N 316.449 2.406 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@@H]2CN2CCCC2)cc1 58357372 APMDKQHNAVJAAO-MRXNPFEDSA-N 302.418 2.325 0 40 DEAB Cn1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)cc1=O 28506678 BYZVUCQCSVHAAS-UHFFFAOYSA-N 307.353 2.065 0 40 DEAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccco1 3340480 YFCYYAKJNOGEQX-UHFFFAOYSA-N 302.330 2.389 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 110515979 HUJYLSHMKQOJDV-RWMBFGLXSA-N 311.495 2.286 0 40 DEAB CCC(CC)c1nc(N[C@H](CO)C(=O)O)c2ccccc2n1 12101353 SMIBEBMSDUFGCC-CYBMUJFWSA-N 303.362 2.391 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(C(=O)OCC)cc1 3501453 FAVNRYIWZRBXDP-TWTPFVCWSA-N 317.341 2.477 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)O)cs1 13305473 VRUYPXGIJIFNER-UHFFFAOYSA-N 311.384 2.267 0 40 DEAB C[C@@H](O)CCNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 96010137 MKRNXIFUCYVEHW-SECBINFHSA-N 315.204 2.435 0 40 DEAB O=C(Nc1cccc2cccnc12)[C@@H]1CCCCS1(=O)=O 96011673 FLTVDBGITBZBBB-ZDUSSCGKSA-N 304.371 2.141 0 40 DEAB CC(=O)NCCNCC(=O)Nc1ccc(-c2ccccc2)cc1 6086127 MKTLMYJUDAGJEP-UHFFFAOYSA-N 311.385 2.018 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)Nc1cc(F)ccc1F 6376500 MCVUAQLJNWQRAB-UHFFFAOYSA-N 315.279 2.313 0 40 DEAB Cn1cnn(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=S 65515118 UJOSFJFJOFDRBW-LBPRGKRZSA-N 318.402 2.474 0 40 DEAB CCN(CC)[C@H](CNC(=O)N(C)CCCOC)CC(C)C 66984426 XKFCQNVNDDLZEX-HNNXBMFYSA-N 301.475 2.421 0 40 DEAB O=c1[nH]c(N2C[C@@H]3CCC[C@H]3C2)nc2c1cnn2-c1ccccc1 95410690 CRWKWTLNHBJAIH-STQMWFEESA-N 321.384 2.345 0 40 DEAB CNC(=O)[C@H](Cc1ccccc1)NC[C@@H]1CCOc2ccccc21 97371689 ZZMGUKYIOKTZES-WMZOPIPTSA-N 324.424 2.500 0 40 DEAB CC[C@@H](C(=O)N1CCN(c2cnn(C)c2)CC1)c1ccccc1 80485232 XUBHXZRJXOZERB-QGZVFWFLSA-N 312.417 2.263 0 40 DEAB Cc1cc(=O)c(C(=O)Nc2nccs2)nn1-c1ccccc1 7402383 GTNLFUBWZFGUDO-UHFFFAOYSA-N 312.354 2.250 0 40 DEAB CNC(=O)CC1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 80518492 NDIZOSCMHDWFSD-UHFFFAOYSA-N 317.364 2.295 0 40 DEAB O=C(CNC(=O)C1CCCCC1)OCCOc1ccc(F)cc1 7563142 DCOXYRUSJQDDBW-UHFFFAOYSA-N 323.364 2.444 0 40 DEAB Cc1ccc(CN(C)C(=O)CCCCCNC(N)=O)c(C)c1 8097543 UMDMBUCKFLTHRF-UHFFFAOYSA-N 305.422 2.491 0 40 DEAB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccco1 8290093 MITLOQIWFPSNMO-HNNXBMFYSA-N 315.325 2.037 0 40 DEAB CCN(C)CCNC(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 70040154 VGOSCLSAVDUVEF-INIZCTEOSA-N 321.421 2.318 0 40 DEAB CC(C)c1noc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)n1 69352079 YGRRUQWHLXXHSW-INIZCTEOSA-N 314.345 2.160 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)CCOCC(F)(F)F)C2)c1 69485258 QILLDFZADZUYRJ-LBPRGKRZSA-N 319.327 2.324 0 40 DEAB CS(=O)(=O)CCCSc1ncccc1Br 71914321 VONQSRILUGIJKM-UHFFFAOYSA-N 310.238 2.371 0 40 DEAB C[C@@H](SCC(=O)NCC(=O)N1CCCC1)c1ccccc1F 69769281 FOICKJUUFRNPSF-GFCCVEGCSA-N 324.421 2.359 0 40 DEAB CC(C)(C)OC(=O)NCC(=O)NCCc1ccc(F)cc1F 69788886 RIMQVQGNCNRSKZ-UHFFFAOYSA-N 314.332 2.148 0 40 DEAB CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cnccn1 69738956 GAUQOONGUQVLLS-UHFFFAOYSA-N 322.409 2.290 0 40 DEAB C[C@H](CNC(=O)N1CC(=O)N[C@@H]2CCCC[C@@H]21)c1ccsc1 95426995 GKTBXBKXZCSWOR-BNOWGMLFSA-N 321.446 2.304 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2cccnc2)c1 8746860 SFJWFNFJGCIWID-NSHDSACASA-N 304.371 2.324 0 40 DEAB Cc1nn(C)c(C)c1OC(=O)c1cncc(Br)c1 84012288 WJEWQCNZOPZYED-UHFFFAOYSA-N 310.151 2.414 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)NCC(C)(C)N(C)C)CCO2)o1 95437999 NWNQBWFIXHJMSO-CQSZACIVSA-N 309.410 2.011 0 40 DEAB NC(=O)[C@@H]1CCCN1Cc1ccccc1NCc1cccnc1 95428968 FSRLTFKNZDZKBD-KRWDZBQOSA-N 310.401 2.143 0 40 DEAB Cn1cc(N2CCC[C@H](N[C@@H]3CC(C)(C)OC3(C)C)C2)cn1 95423288 IZVYZKKSWMLDOH-DZGCQCFKSA-N 306.454 2.325 0 40 DEAB CC(C)(C)C(=O)NCC(=O)N[C@@]1(C)CCc2ccccc2C1 95401930 XOMBVSDKBJQAKN-SFHVURJKSA-N 302.418 2.213 0 40 DEAB Cc1csc([C@H]2CCCN(C(=O)c3ccn(C)c(=O)c3)C2)n1 72298784 CEOLOCXMOFNBRH-ZDUSSCGKSA-N 317.414 2.170 0 40 DEAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc2c(c1)nnn2C 95970336 LANWZJSEMHFTAL-UHFFFAOYSA-N 310.313 2.227 0 40 DEAB CN(C)[C@@H](CNC(=O)NC1CCC(C)(C)CC1)c1cnn(C)c1 74312832 NSIXMACCJPHBEM-HNNXBMFYSA-N 321.469 2.291 0 40 DEAB CCc1nsc(N2CCCN(c3nc(C4CC4)no3)CC2)n1 89295570 QNPHAGAOOGUNGS-UHFFFAOYSA-N 320.422 2.078 0 40 DEAB C[C@H](CNC(=O)N1CCC[C@H](CO)C1)c1ccc(F)cc1F 74886333 UZCSOVUCHYPEMP-NEPJUHHUSA-N 312.360 2.482 0 40 DEAB Cc1cc(N)n(-c2cc(N3CCCC[C@H]3c3ncc[nH]3)ncn2)n1 89594280 UFRVJMHBJWCYJI-LBPRGKRZSA-N 324.392 2.008 0 40 DEAB Cc1cc(=O)[nH]c([C@@H](C)Sc2nnc3n2CCCCC3)n1 89599336 VKZCDBYRUDFCEM-SNVBAGLBSA-N 305.407 2.250 0 40 DEAB CCS(=O)(=O)CCNC(=O)N[C@H](C)c1cc(C)sc1C 76038423 POLAZXYQYSHICE-SNVBAGLBSA-N 318.464 2.160 0 40 DEAB O=C1C[C@@H](Sc2ncccn2)C(=O)N1c1ccc(F)c(F)c1 20798918 MYWXITAZBTUXLI-LLVKDONJSA-N 321.308 2.179 0 40 DEAB O=C(C1=NO[C@@]2(CCCNC2)C1)N1CCC2(CCCCC2)CC1 1548538565 UZUQLAJXHRMSHO-SFHVURJKSA-N 319.449 2.458 0 40 DEAB Cc1cc(C)cc(CS(=O)(=O)Cc2nc(C3CC3)n[nH]2)c1 125206213 MTYXOBPMMMUCGF-UHFFFAOYSA-N 305.403 2.414 0 40 DEAB Cc1nn(C)c2c(=O)n(C)c(Nc3ccc4c(c3)CCC4)nc12 32651412 POFJBZUDSRDFOX-UHFFFAOYSA-N 309.373 2.208 0 40 DEAB C[C@@H](c1cccs1)N(C)C(=O)c1cnc2n(c1=O)CCS2 32842044 ZAPKFACGLBYZET-VIFPVBQESA-N 321.427 2.244 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(NCC)c(C(=O)O)c1 217697878 UUTPILFIFWIPQA-SNVBAGLBSA-N 314.407 2.284 0 40 DEAB O=C(Nc1ccc2cc[nH]c2c1)C1(n2cnnn2)CCCCC1 36359843 WMUAWGRPXDHLDR-UHFFFAOYSA-N 310.361 2.453 0 40 DEAB Cc1cc(NC(=O)CSc2cc(N3CCCC3)ncn2)no1 36708494 CGMXRXPBDBIVBN-UHFFFAOYSA-N 319.390 2.104 0 40 DEAB CCCNC(=O)Nc1cccc(OC(=O)c2cnn(C)c2C)c1 78446283 HZUSGSUCNKTYGD-UHFFFAOYSA-N 316.361 2.479 0 40 DEAB O=C(O)CCc1nc(-c2ccc(OC[C@H]3CCCO3)cc2)no1 72228382 DZOGXDYTXHUCEA-CYBMUJFWSA-N 318.329 2.312 0 40 DEAB CN(C(=O)C(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCSC1 126929975 IJQWKUMSFQOTAE-AWEZNQCLSA-N 304.415 2.078 0 40 DEAB COc1ccc(CCCNS(=O)(=O)c2c(C)noc2C)cc1 36113293 CSHHOUQRNYYPIS-UHFFFAOYSA-N 324.402 2.211 0 40 DEAB CN(C)C(=O)N1CCN(c2nc(C3CCCCC3)ns2)CC1 562926581 PYJBQZCGFDZOMD-UHFFFAOYSA-N 323.466 2.389 0 40 DEAB O=C(c1ccccc1NCC[C@@H]1CCCO1)N1CCC[C@@H](O)C1 189616043 VILKKWQRBJNCFN-CABCVRRESA-N 318.417 2.265 0 40 DEAB CC(C)c1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 225608296 HEQXLABLIIPJMB-YJNKXOJESA-N 301.342 2.403 0 40 DEAB CC1(C)CCN(Cc2cn(-c3ccccc3)nn2)CC[S@]1=O 571135476 FHYDBELKGSPIOC-JOCHJYFZSA-N 318.446 2.000 0 40 DEAB COc1ccc(NC(=O)[C@H](C)n2cc3c(n2)c(C)nn3C)cc1 40715067 XPEXPMJMEMEVAU-NSHDSACASA-N 313.361 2.287 0 40 DEAB CC(C)(C)OC(=O)NC1CN([C@@H](C(=O)O)c2ccccc2F)C1 228974895 GNIRFLQVAUMROI-CYBMUJFWSA-N 324.352 2.160 0 40 DEAB Cc1cc(F)ccc1-n1cc(O)c(C(=O)Nc2cnn(C)c2)n1 80469183 SMTWACNHKYQTQQ-UHFFFAOYSA-N 315.308 2.011 0 40 DEAB Cc1nnc(C[C@H]2OC[C@H]3CN(Cc4ccsc4)CC[C@H]32)[nH]1 96216799 KASSJAJFEYEKFY-RBSFLKMASA-N 318.446 2.254 0 40 DEAB Cc1noc(C[C@@H]2C[C@H]3CN(Cc4ccc(C)o4)C[C@H]3O2)n1 96218610 QDNYSVDFVAWPEM-AEGPPILISA-N 303.362 2.111 0 40 DEAB O=C(NC1CC1)[C@@H]1CCO[C@@H]2CCN(Cc3ccsc3)C[C@H]21 96058284 GYLLYTJVDQXHPW-OWCLPIDISA-N 320.458 2.254 0 40 DEAB COC(=O)[C@@H]1CCCCN1C(=O)CCc1ccc(F)cc1F 95433578 NTMXLTUPEQYHSS-AWEZNQCLSA-N 311.328 2.452 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C1 96246142 HUIRQOVTADUNCC-NUEKZKHPSA-N 320.458 2.321 0 40 DEAB CC(C)CNC(=O)[C@H](C)Nc1ccc(O[C@@H]2CCOC2)cc1 96417571 BLWVWMOLTFXJMX-XJKSGUPXSA-N 306.406 2.427 0 40 DEAB COc1cccc(-c2ccc(CNC(=O)[C@H]3CCC(=O)N3)cc2)c1 96426710 NBICODFYOOPCSU-QGZVFWFLSA-N 324.380 2.257 0 40 DEAB O=C(C1CCOCC1)N1CCC[C@H](c2cccc3nccn23)C1 257265256 LXXBJDJGJWIGLO-HNNXBMFYSA-N 313.401 2.467 0 40 DEAB COc1cc(CCC(=O)N2CCC[C@@H](c3[nH]ncc3C)C2)on1 257222976 DVJCNSWHYJTVCZ-GFCCVEGCSA-N 318.377 2.054 0 40 DEAB C[C@@]12C[C@H](CNC(=O)c3ccccc3F)N[C@@H]1CCCC[C@@H]2O 257271401 MYDYIIDHOPLLSU-GMLZMKKNSA-N 320.408 2.227 0 40 DEAB CCSc1ncc2c(=O)c(C(=O)OC)cn(C3CC3)c2n1 255189418 PTMGNRPXZNYTFX-UHFFFAOYSA-N 305.359 2.025 0 40 DEAB CO[C@@H]1CC[C@H]2OCCN(Cc3ccc4c(c3)CCO4)[C@H]2C1 252486786 NFPTVGPCPFUSFP-SOLBZPMBSA-N 303.402 2.390 0 40 DEAB COC(=O)[C@H]1c2ccsc2CCN1C(=O)c1ccccn1 90608628 ZWBKWVJIMCGYDT-CYBMUJFWSA-N 302.355 2.056 0 40 DEAB Cc1cc2ccccc2n1CCNC(=O)c1cc2n(n1)CCCO2 90626796 FPGIHDKGFNBBTK-UHFFFAOYSA-N 324.384 2.359 0 40 DEAB Cc1ncc(CO)c2cc(C(=O)Nc3ccccc3)c(=O)oc12 575615342 GYANHJRMOPLZPP-UHFFFAOYSA-N 310.309 2.241 0 40 DEAB COCCc1cnc2n1CCN(Cc1ccc(CO)cc1)[C@@H]2C 585097132 FZQNSUVXQVHUEA-CQSZACIVSA-N 315.417 2.141 0 40 DEAB Cc1ccccc1C[C@]1(CO)CN(C(=O)CC(C)C)CCO1 1615142408 JHVLUPIDADSEJY-GOSISDBHSA-N 305.418 2.174 0 40 DEAB Cc1cc(N2CCC(N)CC2)nc2nn(CC(F)F)c(C)c12 12398920 BHCNFJWBWSFUKR-UHFFFAOYSA-N 309.364 2.241 0 40 DEAB Cc1nnc(O)nc1SCC(=O)Nc1cccc(Cl)c1 15831089 TWJRONLNIRPRHP-UHFFFAOYSA-N 310.766 2.270 0 40 DEAB CCOCCOC(=O)c1ccccc1C(=O)OCCOCC 1680414 RMKYMNRQXYPJHL-UHFFFAOYSA-N 310.346 2.073 0 40 DEAB in-vitro O=C([C@H]1CN(CCCc2ccccc2)CCO1)N1CCCCC1 1888870103 RLVPVXGXRCYLGU-GOSISDBHSA-N 316.445 2.333 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ccccc2N)C1 1888913111 NNYBMEMYIFVQRZ-NSHDSACASA-N 305.378 2.464 0 40 DEAB COC1(CNC(=O)CCc2c(C)noc2C)CCSCC1 1850016534 IQGBWKOGMWUSSG-UHFFFAOYSA-N 312.435 2.252 0 40 DEAB CN1CCCC[C@@]2(CN(C(=O)CCC3CCCC3)CCO2)C1=O 2037984458 BUHMKGGCHDGPKU-GOSISDBHSA-N 322.449 2.197 0 40 DEAB Cc1cc(N2C[C@@H]3CN(Cc4ccccc4F)C[C@@H]3C2)ncn1 2087130915 FEJVRQWLXZWFEK-IYBDPMFKSA-N 312.392 2.492 0 40 DEAB CCc1ccc2c(C3CN(C(=O)CC4(O)CCC4)C3)ncn2c1 1565547080 KCEQVWCFZASRQE-UHFFFAOYSA-N 313.401 2.128 0 40 DEAB COCc1nsc(N2CCC(Oc3nccs3)CC2)n1 2086881791 BLTAYKJZMIUWNM-UHFFFAOYSA-N 312.420 2.189 0 40 DEAB O=C(COc1ccccc1)NCCc1ccc2c(c1)OCCO2 6278020 FYBNNQRRNVDKRG-UHFFFAOYSA-N 313.353 2.196 0 40 DEAB COC(=O)C[C@H](c1c(O)nc2ccc(Cl)cn2c1=O)C(C)C 96116823 BJJBHADNYWRELB-JTQLQIEISA-N 324.764 2.356 0 40 DEAB Cc1cc(C)nc(N2CCN(Cc3c(C)noc3C)CC2)n1 50931514 QTZPAGULEILPRI-UHFFFAOYSA-N 301.394 2.020 0 40 DEAB Cc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)CN3C)c1 40555985 PYACOKIPPJNVLU-UHFFFAOYSA-N 309.369 2.313 0 40 DEAB CCOc1c(Cl)cc(/C=C/C(=O)NC[C@H](C)O)cc1OC 32802352 UAFWNFTUYZICFH-PORFMDCZSA-N 313.781 2.258 0 40 DEAB O=C1NCc2c(N3CCNCC3)cccc2N1Cc1ccccc1 52508051 QDEHEDMGJOKOIM-UHFFFAOYSA-N 322.412 2.326 0 40 DEAB COc1ccc(-c2cc(N3CCC[C@H](C(=O)O)C3)ncn2)cc1 32918487 WIAGTARAKCTUSU-ZDUSSCGKSA-N 313.357 2.453 0 40 DEAB O=C(NCCCCN1CCOCC1)c1cc2c(F)cccc2[nH]1 53450085 PYIQVPQPTUYNJO-UHFFFAOYSA-N 319.380 2.149 0 40 DEAB Cc1cccc(OCCNC(=O)c2cnc3cc(C)nn3c2C)c1 22690507 QOSRHTQSQOEQDB-UHFFFAOYSA-N 324.384 2.463 0 40 DEAB Cc1cc(N2CCCN(Cc3cccs3)CC2)nc(N)n1 42106585 HTTKHBZNYKSUMH-UHFFFAOYSA-N 303.435 2.141 0 40 DEAB CC(C)CNC(=O)CN(C)C1CCN(c2ccc(F)cc2)CC1 72666803 XZYDMZLSGPIQTR-UHFFFAOYSA-N 321.440 2.499 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(CCc3cccs3)CCO2)n1 78893256 ZCANZTJGXOXTQL-ZDUSSCGKSA-N 306.435 2.435 0 40 DEAB COc1ccc(CNNc2ccc(NC(C)=O)cc2N)cc1 1563101 ZWVARASNYITIIM-UHFFFAOYSA-N 300.362 2.353 0 40 DEAB CC(C)C(=O)NCCNC(=O)N[C@H]1CCCc2ccccc21 23140034 FLVJJEYKGHTQAS-HNNXBMFYSA-N 303.406 2.135 0 40 DEAB Cc1cc2nc(Nc3cnn(CCO)c3)c3ccccc3n2n1 57148917 IVHAIZRWTZILEN-UHFFFAOYSA-N 308.345 2.123 0 40 DEAB Cc1noc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 26481017 CEPQRBFFRHTFTQ-ZDUSSCGKSA-N 301.346 2.486 0 40 DEAB O=C(NCc1cccnc1)[C@H]1CCCN(C(=O)c2ccccc2)C1 108670429 SRAIQTGXTUOBNR-KRWDZBQOSA-N 323.396 2.250 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)[C@H]3COc4ccccc4O3)cc12 48276135 ZEVQMJYZSLWGEW-OAHLLOKOSA-N 324.340 2.055 0 40 DEAB CCc1ccc2c(CC(=O)N3CCC(C(N)=O)CC3)coc2c1 10218298 LQBADOYMSILSLQ-UHFFFAOYSA-N 314.385 2.262 0 40 DEAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc2[nH]c(=O)[nH]c2c1 44976493 FTXUAJBOLNBJKJ-LURJTMIESA-N 304.741 2.055 0 40 DEAB Cc1nc(C(=O)N[C@@H](C)[C@H]2CCCO2)nn1-c1ccc(F)cc1 44912025 CYTKMEBDYGQYOE-IINYFYTJSA-N 318.352 2.012 0 40 DEAB CS(=O)(=O)c1ccc(OCc2noc(-c3ccco3)n2)cc1 44909720 VXPXIEVKADHDIY-UHFFFAOYSA-N 320.326 2.312 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)N1CCSCC1)c1ccccc1 44967209 ZYHLOFUHVCSZRF-AWEZNQCLSA-N 316.430 2.268 0 40 DEAB CCCO[C@H]1CCCN(C(=O)[C@H](C)NC(=O)c2ccco2)CC1 108321893 AUIPYABPZWHBKA-KBPBESRZSA-N 322.405 2.206 0 40 DEAB Cc1cc(C)nc(SCC(=O)NC[C@@H]2CCN(C(C)C)C2)n1 58393604 UUNVUAFTUZVAGQ-AWEZNQCLSA-N 322.478 2.032 0 40 DEAB CN(C(=O)c1cnc(-c2ccsc2)s1)c1nncn1C 95467833 DJIOZHQSIVREID-UHFFFAOYSA-N 305.388 2.277 0 40 DEAB O=C(Nc1ccc(F)c(NC(=O)C2CC2)c1)c1cnccn1 12861913 UUUVVDOBCKCARK-UHFFFAOYSA-N 300.293 2.217 0 40 DEAB C[C@@H]1CN(CCC(=O)Nc2ccnn2C2CCCC2)C[C@@H](C)O1 28842779 BIUAWPJPAVYQCW-ZIAGYGMSSA-N 320.437 2.436 0 40 DEAB CCCCNC(=O)c1cccc(S(=O)(=O)NCCCC)c1 12866231 OBCLGBFHRNHEAC-UHFFFAOYSA-N 312.435 2.295 0 40 DEAB CCc1nnc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)n1CC 20034288 QLLMRVDCPPNACH-TUAOUCFPSA-N 308.451 2.257 0 40 DEAB O=C(Nc1nccs1)[C@H]1CCCN(C(=O)c2ccoc2)C1 12823835 UXSZQMGPKXINJC-JTQLQIEISA-N 305.359 2.227 0 40 DEAB COC(=O)N1CCCN(C(=O)Nc2cccc(OC)c2)CC1 60344349 TYZNTXOCDBWJRT-UHFFFAOYSA-N 307.350 2.001 0 40 DEAB CCOc1ccc2[nH]c(=O)c(CNCCN3CCCC3)cc2c1 23247892 LBQONXVKPZWFIZ-UHFFFAOYSA-N 315.417 2.112 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(F)c(Cl)c1 2616619 LACGSTSCHBQDGW-JTQLQIEISA-N 319.789 2.208 0 40 DEAB CC(C)(C)C(=O)N1CCC(NC(=O)c2cccnc2S)CC1 46841515 RHJNPBYZUWDLIA-UHFFFAOYSA-N 321.446 2.137 0 40 DEAB COc1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)c(OC)c1 13167063 UPPHRNHYMYGDBL-GQCTYLIASA-N 319.357 2.040 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](CO)OC[C@@H]2C)c(Cl)cc1F 95450082 IUZUJKSBJGGWFJ-UWVGGRQHSA-N 301.745 2.009 0 40 DEAB Cn1cc(N2CCC[C@H](Sc3ccc(Cl)nn3)C2=O)cn1 95401570 SBRVVOFXBZTJDF-JTQLQIEISA-N 323.809 2.151 0 40 DEAB COCc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)C[C@H](C)N2 95471707 JLYGKSOIITZKIE-GXFFZTMASA-N 318.377 2.235 0 40 DEAB CCc1ncc(C(=O)NCCN2CCc3ccccc3C2)s1 65403777 XBGBIPGJVBOKRH-UHFFFAOYSA-N 315.442 2.494 0 40 DEAB COc1ccc(CCC(=O)OCC(=O)c2ccc[nH]2)cc1OC 6508179 OMXPWCCJCOBGPO-UHFFFAOYSA-N 317.341 2.391 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)CC(=O)O)cc2F)n1 95970365 NLRAFHHOQSDEEH-SECBINFHSA-N 319.336 2.221 0 40 DEAB CC(=O)NCCNC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 9483457 BZAUQHKHSNQYIW-NSHDSACASA-N 313.401 2.159 0 40 DEAB O=C1C[C@H](NNc2ccccc2)C(=O)N1c1ccc(F)c(F)c1 20634718 GKZVOVKTTMMGNA-AWEZNQCLSA-N 317.295 2.213 0 40 DEAB COc1cccc(-c2n[nH]cc2CNC[C@@H]2CCCN2C)c1 71828221 PTYPNIRYRUOLRL-HNNXBMFYSA-N 300.406 2.269 0 40 DEAB CC(C)Cc1cc(C(=O)NCC[S@](=O)c2ccccc2)[nH]n1 71893732 VWLVUNRVKPKEPB-JOCHJYFZSA-N 319.430 2.146 0 40 DEAB OCCN(Cc1ccccc1)C[C@H](O)COCc1ccccc1 68048947 BRTOSZBMUXEDCW-IBGZPJMESA-N 315.413 2.059 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)COC[C@H]1CCCO1 71883714 ZALLRECQAVJCHY-OAHLLOKOSA-N 315.373 2.315 0 40 DEAB O=C([C@H]1C[C@H]1c1ccco1)N1CCN(Cc2cscn2)CC1 71836499 QWTODRHFPIBCMA-KGLIPLIRSA-N 317.414 2.184 0 40 DEAB CC(C)c1cc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)on1 71875609 MDUCXASEYCACGQ-CYBMUJFWSA-N 317.393 2.098 0 40 DEAB O=S(=O)(Nc1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 16099444 KCBHXJORCLXNPN-UHFFFAOYSA-N 313.281 2.494 0 40 DEAB Cc1nc(CN2CCN(C(=O)c3ccoc3C)CC2)oc1C 71824778 YEIAFQNMDQFLIB-UHFFFAOYSA-N 303.362 2.151 0 40 DEAB CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](CO)C1 16124765 IWAWSJXEVHALDS-LBPRGKRZSA-N 303.399 2.148 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 16101436 LXQKVAFHBQVHMD-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CCS[C@@H]1CCC[C@H]1NC(=O)COc1c(C)nn(C)c1C 89275115 PNQOYKYVDFUULC-CHWSQXEVSA-N 311.451 2.206 0 40 DEAB COc1cccc2c1OCC(C(=O)N1CCCSCC1)=C2 69369522 AGTLXYPQASDMDN-UHFFFAOYSA-N 305.399 2.437 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Cc1cn2ccccc2n1 69442869 VOQBOXQQDMOTPR-LLVKDONJSA-N 311.389 2.105 0 40 DEAB CNC(=O)c1ccc(NC(=O)c2cccc(OC)c2OC)cc1 8424248 NRWAIIYMQRMINE-UHFFFAOYSA-N 314.341 2.316 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1n[nH]c2ccc(Br)cc12 69699494 PIIBOBWQWGYERJ-VIFPVBQESA-N 324.178 2.234 0 40 DEAB Cc1c(Br)cccc1C(=O)N1CC[C@@H](C(=O)O)C1 88440323 VXXJOLKJSKYTTO-SECBINFHSA-N 312.163 2.304 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCC(=O)NC(C2CC2)C2CC2)c1 69818389 VCHUZGHOTGYMPS-OLZOCXBDSA-N 304.438 2.035 0 40 DEAB Cc1nnc(CNC(=O)Cc2c[nH]c3cc(Cl)ccc23)n1C 69813981 PLJXMDRWSFDQSC-UHFFFAOYSA-N 317.780 2.117 0 40 DEAB O=C(NCc1cccc2c1OCCO2)c1cccnc1Cl 69895944 BMIDLBWKMJFQID-UHFFFAOYSA-N 304.733 2.436 0 40 DEAB O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NC1CCCC1 72271672 AIBWUGUCJXVTGN-JOCHJYFZSA-N 323.414 2.014 0 40 DEAB CCN([C@H](C)COC)S(=O)(=O)Cc1noc2ccccc12 97137307 BFFKXKGFCKYLDT-LLVKDONJSA-N 312.391 2.014 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)N(C)C[C@@H]1CCCC[C@H]1O 97234234 DXQDCOMAPWUGSA-LSDHHAIUSA-N 322.453 2.232 0 40 DEAB Cc1occc1-c1nnc(SC[C@@H](O)C(F)(F)F)n1C 97378029 HAIJRACJPQTUKH-MRVPVSSYSA-N 307.297 2.399 0 40 DEAB C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)N1CCN(C)CC1 89905203 IRWGUQRJSOJNHU-ZDUSSCGKSA-N 309.841 2.107 0 40 DEAB CC1(C)NC(=O)N(CCC(=O)OCc2ccccc2Cl)C1=O 24869864 FLXCIJOCFRYBOL-UHFFFAOYSA-N 324.764 2.104 0 40 DEAB Cc1occc1CNC(=O)[C@H]1CN(Cc2ccccc2)CCO1 78113170 NDIHMIRKESHWTO-QGZVFWFLSA-N 314.385 2.105 0 40 DEAB Cc1c(NC(=O)N(C)[C@H](C)C[S@](C)=O)cccc1N(C)C 121234850 LXPDFLLUGBRCGC-WSVYEEACSA-N 311.451 2.292 0 40 DEAB Cc1cc(C)n(CCC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)n1 504269211 HSTGXFJSNGQSBN-IRXDYDNUSA-N 318.465 2.271 0 40 DEAB biogenic C[C@@H](C1CC1)n1nccc1NC(=O)c1noc2c1COCC2 527591016 ITYPULGCTRNDIA-VIFPVBQESA-N 302.334 2.167 0 40 DEAB CC(C)NC(=O)CC1(N2Cc3ccccc3C2=O)CCOCC1 1565524890 SEBFUUATDRQPAH-UHFFFAOYSA-N 316.401 2.106 0 40 DEAB CCN(C(=O)OC(C)(C)C)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)N 79409747 JPXOSCKLCVIHBC-AVGNSLFASA-N 313.442 2.018 0 40 DEAB C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)c1c(Cl)cccc1Cl 78978615 KZZZEBFHUFHWKD-GZMMTYOYSA-N 315.200 2.492 0 40 DEAB COc1ncccc1C(=O)NCc1cccnc1-c1ccncc1 225749307 XPDMHWVPYZPIRN-UHFFFAOYSA-N 320.352 2.477 0 40 DEAB COc1ccc2c(c1)CN(C(=O)C1CC1)CC[C@H]1COC(=O)N21 225490010 ZPGVWFUHVQKXMT-ZDUSSCGKSA-N 316.357 2.163 0 40 DEAB biogenic,in-vitro CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(Cl)cc2)c1=O 225967186 AINQSJHQBVWQSB-UHFFFAOYSA-N 320.732 2.265 0 40 DEAB CCOC(=O)c1cnn2c(-c3nc(CC(C)C)no3)ccnc12 93890144 VQUOOYIGTAZLAT-UHFFFAOYSA-N 315.333 2.155 0 40 DEAB CCOC(=O)C(C)(C)C(=O)Nc1ccc(-n2cccn2)cc1 95447113 ZTIWJGMXLBOLOW-UHFFFAOYSA-N 301.346 2.400 0 40 DEAB c1cc(CN2CC[C@@H]3[C@@H](CO[C@H]3CN3CCCC3)C2)ccn1 96185261 BEPNOGKEKHIALK-KURKYZTESA-N 301.434 2.014 0 40 DEAB O=C(O)[C@@H]1CCCN(S(=O)(=O)c2cccc3ccccc23)C1 96517703 QIZMARBFSIRVIM-CYBMUJFWSA-N 319.382 2.325 0 40 DEAB Cc1ccc([C@@H]2[C@H](C(=O)N3CCSCC3)CC(=O)N2C)cc1 96181393 YJAIDNNEJWYEID-GDBMZVCRSA-N 318.442 2.090 0 40 DEAB OC1(CN(Cc2ccccn2)CC2(O)CCCC2)CCCC1 96424226 QHSUCTHPWDUHEM-UHFFFAOYSA-N 304.434 2.494 0 40 DEAB Cc1cc(F)ccc1NC(=O)C(=O)NC[C@@](C)(O)CCC(C)C 96420308 NBEVPMCFNIGEKI-KRWDZBQOSA-N 324.396 2.376 0 40 DEAB Cc1cc(N)cc([C@H]2CN(CCOc3ccccc3)CCO2)n1 257331061 XRFQRRSNJSGLNH-GOSISDBHSA-N 313.401 2.425 0 40 DEAB CC(=O)N1CCN(Cc2cnc(C)nc2)[C@@H](c2ccccc2)C1 257270100 MSTQJESVOPHZGG-GOSISDBHSA-N 310.401 2.190 0 40 DEAB O=C(CSc1ccc(F)cc1)N[C@@H]1CCn2nccc2C1 253472724 OPZJOOGKAOGRJX-GFCCVEGCSA-N 305.378 2.246 0 40 DEAB O=C(CCn1ncc2ccccc21)N1CC[C@@H](c2ccn[nH]2)C1 257271941 NAKJSVPDRBNCLW-CQSZACIVSA-N 309.373 2.166 0 40 DEAB COc1ccc(CN2CCOC[C@H]2c2[nH]ncc2C)c(F)c1 257225860 FIEOMAKHFDUHPC-HNNXBMFYSA-N 305.353 2.439 0 40 DEAB CN1CCC[C@@]12CCCN(C(=O)Cc1cccc(O)c1)CC2 585100111 FVELSOXPPBVGEL-SFHVURJKSA-N 302.418 2.412 0 40 DEAB O=C(CCOc1ccccc1)N1CCN(c2nccs2)CC1 44893970 DSDJYNAKFSFOBB-UHFFFAOYSA-N 317.414 2.261 0 40 DEAB CCc1cnc(OC2CCN(C[C@H]3CCCOC3)CC2)nc1 1776009708 XUTITCVLGKOIGL-OAHLLOKOSA-N 305.422 2.309 0 40 DEAB CN(C(=O)[C@H]1CCC(=O)N1)C1c2ccccc2-c2ccccc21 81455988 ARZOUZBSQSFSCH-MRXNPFEDSA-N 306.365 2.493 0 40 DEAB Nc1cc(Br)cc(I)c1N 169797848 RUEUKMVOMFSTCZ-UHFFFAOYSA-N 312.936 2.218 0 40 DEAB O=C(c1ccccc1)N1CCN(c2ccnc(C3CC3)n2)CC1 110113410 FOABZHVOONXNOU-UHFFFAOYSA-N 308.385 2.316 0 40 DEAB COc1c(C)cccc1C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 14258498 ORMYFHMFXCPUHR-UHFFFAOYSA-N 324.336 2.482 0 40 DEAB CC1(NC(=O)c2cccc(OCCN3CCCC3=O)c2)CCC1 19461181 ZAFHIHBUHBDFKA-UHFFFAOYSA-N 316.401 2.360 0 40 DEAB Cc1cc(C(=O)OCC(=O)N[C@H]2CCCc3ccccc32)on1 6852013 ORTLXUTWOQZYSC-AWEZNQCLSA-N 314.341 2.334 0 40 DEAB C[C@H]1OC2(C[C@@H]3CC[C@H](C2)N3)CN(Cc2ccccc2)C1=O 1888834033 QNXXBWLKBWEBPL-PITVIPOPSA-N 300.402 2.087 0 40 DEAB Cc1nnc(SCCCN2C(=O)c3ccccc3C2=O)o1 4890985 UVJZXDZJJZOVSN-UHFFFAOYSA-N 303.343 2.156 0 40 DEAB Cc1nnsc1C(=O)N[C@H]1CC[C@H](Oc2ccccn2)CC1 244986101 JGABLYCLRPADDD-HAQNSBGRSA-N 318.402 2.362 0 40 DEAB Cc1ncsc1C(=O)NCc1nccnc1-c1ccoc1 575620926 RSQNXJXZOQUYKM-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB CO[C@]1(C)C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C1(C)C 74942577 SMNUJISZRCDDDF-OIPACUDHSA-N 318.417 2.148 0 40 DEAB COc1ccc(NC(=O)COc2c(C)[nH]ccc2=O)cc1Cl 40287083 IYHQXVQGPWNFIU-UHFFFAOYSA-N 322.748 2.363 0 40 DEAB c1nc(NCc2ccc(N3CCCCC3)nc2)c2[nH]cnc2n1 40555522 XTIFPRSVCQGDIE-UHFFFAOYSA-N 309.377 2.350 0 40 DEAB C[C@H]1CN(Cc2cc(=O)oc3cc4c(cc23)OCO4)C[C@H](C)O1 20610113 MWCWHPXKIQVACZ-QWRGUYRKSA-N 317.341 2.131 0 40 DEAB biogenic O=C(c1cccnc1)N1CCC[C@H]1c1nnc2n1CCCCC2 40817085 OGACAGFIJDNMET-AWEZNQCLSA-N 311.389 2.377 0 40 DEAB Cc1ccc(F)cc1NCCOc1ccc(S(N)(=O)=O)cc1 32851004 UHLSPPAXRFBUKN-UHFFFAOYSA-N 324.377 2.272 0 40 DEAB CCCCN1C(=O)CC[C@H](C(N)=O)[C@@H]1c1ccccc1OC 52948633 LHSOVNHWCVJLQD-BBRMVZONSA-N 304.390 2.260 0 40 DEAB CC(C)NC(=O)CN(C)C(=O)C1=Cc2cc(Cl)ccc2OC1 52988898 MRPGLJUSBXTPQG-UHFFFAOYSA-N 322.792 2.099 0 40 DEAB O=C1CN(C(=O)c2cc3ccccc3oc2=O)c2ccccc2N1 87136 BPFJRIWQODKQHC-UHFFFAOYSA-N 320.304 2.392 0 40 DEAB CC1CCN(S(=O)(=O)NCC2(c3ccccc3)CC2)CC1 23018892 MNUJNWGRRITKPX-UHFFFAOYSA-N 308.447 2.285 0 40 DEAB O=C(c1ccc2ccccc2n1)N1CCC(c2nc[nH]n2)CC1 82979147 SOYRPCWRIYEUDY-UHFFFAOYSA-N 307.357 2.373 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)Cc1csc(-c2ccco2)n1 42536118 MHXHBXUGKYSMPP-LLVKDONJSA-N 316.386 2.347 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)c1cnc2ccccc2n1 7039426 SFVDXFOPHWCREL-UHFFFAOYSA-N 307.309 2.289 0 40 DEAB Fc1ccc(-c2n[nH]cc2CNCCSc2ncn[nH]2)cc1 55100229 LMYIJRDZZWGZQN-UHFFFAOYSA-N 318.381 2.216 0 40 DEAB CS(=O)(=O)Nc1ccccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 108060001 KIBLIKTWLKOCCQ-SRVKXCTJSA-N 308.403 2.433 0 40 DEAB C[C@H]1COCCN1C(=O)NCc1cc(-c2ccccc2)no1 44971539 QYADFSTYMHCZRS-LBPRGKRZSA-N 301.346 2.272 0 40 DEAB COc1cc(CNC(=O)N2CCC[C@@H]2c2cc(C)no2)ccn1 45521679 PEXPAAMEJGZDEP-CYBMUJFWSA-N 316.361 2.433 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)COc2ccccc2)n1 48404044 SZIOBVVEMCWACV-CYBMUJFWSA-N 301.390 2.331 0 40 DEAB Cc1cc(N2CCSCC2)n2nc(C(F)(F)F)nc2n1 48562056 PRLWWGCYWMXQHE-UHFFFAOYSA-N 303.313 2.005 0 40 DEAB C[C@@H]1CCC[C@H](O[C@H](C)C(=O)Nc2nc3ncccn3n2)C1 110597397 MJHBWQRLDHUUDJ-UTUOFQBUSA-N 303.366 2.047 0 40 DEAB O=C(CCN1C(=O)COc2ccccc21)NCCC1CCCC1 13018069 JBAORPYWCBYXJN-UHFFFAOYSA-N 316.401 2.499 0 40 DEAB COc1ccccc1CC(=O)Nc1c2c(nn1C)CSC2 72400377 DGLKLJOAVSLBMK-UHFFFAOYSA-N 303.387 2.357 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 13692082 FEASANCYFXXSDI-CQSZACIVSA-N 311.385 2.299 0 40 DEAB C[C@@H]1C(=O)N(c2c(Cl)cccc2Cl)C(=O)C[S@@]1=O 5211357 WTKIXTDXVDESQT-FWCARGHBSA-N 306.170 2.004 0 40 DEAB CCN(CC)CCn1cc(NC(=O)/C=C/c2ccco2)cn1 65621111 ZPKFCYREADGAED-BQYQJAHWSA-N 302.378 2.470 0 40 DEAB O=C(Cc1ccon1)NC[C@H](O)c1c(Cl)cccc1Cl 95417455 UWTCICVEHWLGMV-NSHDSACASA-N 315.156 2.374 0 40 DEAB COC(=O)CN(Cc1ccccc1C)C(=O)CC[C@H]1CCCO1 66291940 DEQKNUIVFGKKJK-MRXNPFEDSA-N 319.401 2.456 0 40 DEAB CC(C)CN(C[C@@H](O)c1ccccc1)C(=O)c1nccn1C 95407846 PRXUDHHJCOTZMN-OAHLLOKOSA-N 301.390 2.252 0 40 DEAB Cc1nc(CN[C@H](C)c2ccc3c(c2)NC(=O)CO3)oc1C 96491012 LPWMPZYIESTXPC-SNVBAGLBSA-N 301.346 2.473 0 40 DEAB FC(F)(F)c1cc(NC[C@H]2CCCCO2)n2ncnc2n1 71828043 ZMGOKWZXBYUMEH-MRVPVSSYSA-N 301.272 2.124 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)c1 71869754 BHSQYLHWTFQXCV-ZDUSSCGKSA-N 300.362 2.362 0 40 DEAB O=C(CCN[C@H](c1ccccc1)C1CCC1)N1CCOCC1 69567712 GOEURSKEPTYSHW-GOSISDBHSA-N 302.418 2.366 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1 69701275 CCKVSHCAASLNKK-ZDUSSCGKSA-N 316.409 2.068 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(F)c2)c1 9882473 UTUMJUXCIZGXLZ-UHFFFAOYSA-N 322.361 2.295 0 40 DEAB Cc1ccc(C(=O)NCC(N)=O)c(Sc2ccccc2)c1 97085417 NUKMJBWLWLTYNS-UHFFFAOYSA-N 300.383 2.361 0 40 DEAB CCN(C(=O)CN1CC[C@H](CO)C1)[C@@H](C)c1ccc(F)cc1 95418142 LCTQFLDORHMWGD-KBPBESRZSA-N 308.397 2.049 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CCn3cncn3)C2)sc1C 72297400 ADNDWAPZXAXVAN-CYBMUJFWSA-N 319.434 2.148 0 40 DEAB NC(=O)c1cc(NC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c[nH]1 95410669 ONRIQFUMPHOVPT-KSSFIOAISA-N 309.369 2.346 0 40 DEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cn[nH]c1C 84224573 NLZMTDHFEQOJFP-UHFFFAOYSA-N 300.362 2.046 0 40 DEAB Cc1cccc([C@H]2CCCN2CCCOC(=O)NC(N)=O)c1 84210701 SNQVWTQAPYLCIO-CQSZACIVSA-N 305.378 2.327 0 40 DEAB CC[C@@](C)(CC(=O)O)NC(=O)c1ccc(Br)o1 95970231 DATMFTIOOKZGFP-NSHDSACASA-N 304.140 2.415 0 40 DEAB C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)CC1(C)CCCCC1 95942014 NOEYOCYLTMXMRY-HUUCEWRRSA-N 314.495 2.455 0 40 DEAB Cc1csc(CS(=O)(=O)CC2(O)CCC(C)CC2)n1 95988325 ZUKNFYWTMYGROH-UHFFFAOYSA-N 303.449 2.308 0 40 DEAB COc1ccc(CC(=O)Nc2ccc3[nH]nnc3c2)cc1F 89457584 AWKGIXRWTURKCR-UHFFFAOYSA-N 300.293 2.287 0 40 DEAB COc1ccc([C@H]2CC(=O)N=C3N=CNN32)c2c(OC)cccc12 409375596 MVNQINQXDXOJMZ-GFCCVEGCSA-N 324.340 2.033 0 40 DEAB Nc1ccc(N2CCOCC2)c(NC(=O)Cc2ccccc2)c1 20158704 UIYNZJDWLXHAAD-UHFFFAOYSA-N 311.385 2.287 0 40 DEAB Cc1ccccc1-c1cc2c(N3CCN(C)CC3)nccn2n1 67285436 QSTGSJXWBSCBGL-UHFFFAOYSA-N 307.401 2.457 0 40 DEAB C[C@@H](C(N)=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 78611039 ADHJGXZTYGYBBY-MADCSZMMSA-N 321.179 2.380 0 40 DEAB CCSc1cc(Cl)ccc1C(=O)NC1CN(C(C)=O)C1 123721138 GLMGKEUUAOFIIU-UHFFFAOYSA-N 312.822 2.413 0 40 DEAB CC(C)[C@H](N)C(=O)N(Cc1ccc2c(c1)OCCO2)C(C)C 79418846 WGTNNZUXYAVMCW-INIZCTEOSA-N 306.406 2.178 0 40 DEAB CCOCCCC(=O)N1CCN([C@H](C)c2cccnc2)CC1 79353533 SYDNRLMHIBKREY-OAHLLOKOSA-N 305.422 2.104 0 40 DEAB CCn1nc(C)c(CNC(=O)c2cccc(OC)c2OC)c1C 32648015 AJRJUVNGYZZHNQ-UHFFFAOYSA-N 317.389 2.467 0 40 DEAB O=c1oc(-c2nccc3ccccc23)nn1Cc1ccncc1 72346470 FGKHZEQFDRTRPC-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB CCn1nc(C)c(CCC(=O)Nc2c(C)nn(C)c2C)c1C 72240462 JQUDLUDBFRGETN-UHFFFAOYSA-N 303.410 2.441 0 40 DEAB Cc1nnc(CN2CC[C@H](CN(C)Cc3scnc3C)C2)o1 195269044 PNEGPDVZWNFBPZ-CYBMUJFWSA-N 321.450 2.097 0 40 DEAB CC1CCN(C(=O)[C@@H](C)[S@@](=O)c2ccc3[nH]ncc3c2)CC1 575105639 XPEFZTGSOACHNK-VERVWZFWSA-N 319.430 2.318 0 40 DEAB C[C@H](NC(=O)NCc1cnn(CC(F)(F)F)c1)C(F)(F)F 570274476 CPCKWJFIFJMEAV-LURJTMIESA-N 318.221 2.195 0 40 DEAB Cc1ccc([C@@H](C)N[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)o1 193188686 LRZJKIFFWMDFKT-BDAKNGLRSA-N 321.299 2.015 0 40 DEAB CCCCc1noc([C@H]2CCCN(C(=O)c3cnn(C)c3)C2)n1 41122485 LHOGIYIGSVYYMP-LBPRGKRZSA-N 317.393 2.166 0 40 DEAB c1ccc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)nc1 96047952 JDFCCDXYCAWBCV-KRWDZBQOSA-N 301.434 2.301 0 40 DEAB Cc1cnc2n1CCN(C)C21CCN(Cc2ccncc2)CC1 96037004 YADGJLWSAZJESM-UHFFFAOYSA-N 311.433 2.023 0 40 DEAB Cc1cccc([C@H](O)[C@](C)(Br)S(C)(=O)=O)c1 96521290 DPAZTQXOWNZCHM-WDEREUQCSA-N 307.209 2.184 0 40 DEAB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1N1CCOCC1)N(C)C 95450482 HNCNIYNHULJZBC-HOCLYGCPSA-N 319.449 2.041 0 40 DEAB COc1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OC)cc(OC)c1 96041412 BRPOGRKTAHXJFC-GVDBMIGSSA-N 307.390 2.082 0 40 DEAB CN(C)c1ccccc1CN1CCC[C@H](N2CCCC2=O)C1 96441424 XSQGXSYUILHSRH-INIZCTEOSA-N 301.434 2.339 0 40 DEAB c1csc(CN2C[C@H]3CCC[C@@H](CN4CCOCC4)[C@H]3C2)n1 96090768 BWLJWQMGAKCHIV-ARFHVFGLSA-N 321.490 2.323 0 40 DEAB CN(C)c1ncc(CNc2ncnc3cc(F)c(F)cc23)n1C 96429502 BSJOSMZWTSMZQC-UHFFFAOYSA-N 318.331 2.320 0 40 DEAB Cc1nn(C)c(C)c1-c1noc(CNC(=O)OC(C)(C)C)n1 95095290 DRRJUJLVQDSACM-UHFFFAOYSA-N 307.354 2.112 0 40 DEAB CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccc(F)cc3)C2)O1 96052285 RQVPTTITIYOFHS-ZWKOTPCHSA-N 322.424 2.137 0 40 DEAB COc1ccc(CCN2CCO[C@H]3CC[C@H]2[C@H]3OC)cc1OC 247900087 QJORVGSVFMKROZ-QILLFSRXSA-N 321.417 2.125 0 40 DEAB CNc1cnc(C[C@H]2CCCN(Cc3cc[nH]n3)CC2)cn1 257258851 KVTZKKCPBCQMFU-ZDUSSCGKSA-N 300.410 2.086 0 40 DEAB CCn1cc(CN(C)[C@@H]2CC[C@H](Oc3ccccc3)[C@H]2O)cn1 257249439 JIIWDEDSICQCAH-SQNIBIBYSA-N 315.417 2.306 0 40 DEAB COCC(=O)N1[C@H](c2ccccc2)C[C@@H]2[C@@H]1CCCCN2C 257290093 QBNYKPFFVPSNFG-YESZJQIVSA-N 302.418 2.459 0 40 DEAB CCN[C@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 257212139 CCCHATQZYPRSMP-INIZCTEOSA-N 302.418 2.450 0 40 DEAB COc1ccc(C(=O)N2CCC3(CC2)OCCC[C@H]3OC)cc1 257200540 ADSUITGYYGRLET-MRXNPFEDSA-N 319.401 2.495 0 40 DEAB C[C@]12CCCN(Cc3ccc(C(=O)O)cc3)[C@H]1CCCC(=O)N2 257217708 DAGSZPXYQWGQLI-YJBOKZPZSA-N 316.401 2.408 0 40 DEAB COCc1nc2n(n1)C[C@H](Nc1nc3cc(C)ccc3o1)CC2 268168687 QEAUQYXQXARKFF-LLVKDONJSA-N 313.361 2.301 0 40 DEAB O=C(O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)no1 263126046 LALQCHJXAWUNGO-AWEZNQCLSA-N 312.325 2.204 0 40 DEAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)c1cnc(O)s1 585142062 NVNARIITGKPYCE-QMMMGPOBSA-N 316.379 2.370 0 40 DEAB Cc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)c(=O)[nH]1 75118354 DOVRUTFCRFWWFD-UHFFFAOYSA-N 305.422 2.068 0 40 DEAB CN(C(=O)Nc1ccncc1)[C@H]1CCN(c2ccccc2)C1=O 75139344 VUIKABUFZWMAQE-HNNXBMFYSA-N 310.357 2.351 0 40 DEAB COC(=O)[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](N2CCCCC2)C1 95995170 DAMNTHXNSLVQDP-HRCADAONSA-N 322.449 2.053 0 40 DEAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc(Cl)c(Cl)c2)[C@@H]1O 1615149695 KJIZDYRYEJCZHF-MCIONIFRSA-N 320.216 2.200 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)C(C)(C)C)C[C@H]2C(=O)O)cc1 12181332 NKNSZTPGZLKKKE-UONOGXRCSA-N 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Cc1cc(C(=O)N2C[C@@H](C)Oc3cc(F)c(F)cc32)ncn1 906232627 MBKLHWGZWCTZER-SECBINFHSA-N 305.284 2.491 0 40 DEAB Cc1ccc([C@@](O)(CCNC(=O)N2CCC2)C(F)(F)F)o1 45436045 LOICUGDFMDJDCU-LBPRGKRZSA-N 306.284 2.143 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)COc2ccccc2)n1 48404040 SZIOBVVEMCWACV-ZDUSSCGKSA-N 301.390 2.331 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cnccn1 75142623 UBNNOGYZOQZMBZ-QAPCUYQASA-N 324.428 2.459 0 40 DEAB C[S@](=O)c1ccc(NC(=O)c2[nH]nc3c2CCCC3)cc1 76066171 CFBNDPGTZVKWPY-OAQYLSRUSA-N 303.387 2.278 0 40 DEAB O=C(Nc1nccn1-c1ccccc1)c1ccc(C(=O)O)nc1 1574614319 OKNCVXQSQJVRLL-UHFFFAOYSA-N 308.297 2.218 0 40 DEAB COc1ccccc1C(=O)N1CCC[C@@](O)(C(F)(F)F)C1 98016260 TWLDVMFBXHLAGV-ZDUSSCGKSA-N 303.280 2.225 0 40 DEAB Cc1nc(C)c(C)c(N2CCN(C(=O)OC(C)(C)C)CC2)n1 301442561 NSHATKPJZOCRRL-UHFFFAOYSA-N 306.410 2.459 0 40 DEAB Cc1noc([C@H]2CCCN(c3cc(NC4CC4)ncn3)C2)n1 577267020 BKQZBPZWPIZGTA-NSHDSACASA-N 300.366 2.126 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1 12685035 KUFUMFBMXXSDAQ-TXEJJXNPSA-N 315.373 2.224 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C2CC2)cc1 12809037 QRUXMZVXCJWOIH-LBPRGKRZSA-N 324.446 2.244 0 40 DEAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2Cc2cnn(C)c2)n1 607855358 NRVZUSUMRIKXCN-KRWDZBQOSA-N 314.437 2.096 0 40 DEAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N1CCC1 23105283 FRSKLRRTSLBPKU-UHFFFAOYSA-N 308.794 2.450 0 40 DEAB Cc1cccc(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1 2070386734 SIZXHAXPGSZLMU-HNNXBMFYSA-N 308.447 2.041 0 40 DEAB O=C(NCc1ccc(N2CCCC2)nc1)c1cc(C2CC2)[nH]n1 31316948 ARIBKPFXDGSMCI-UHFFFAOYSA-N 311.389 2.212 0 40 DEAB COc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1O 185423 UXVZEABZHKWPDV-OQLLNIDSSA-N 324.361 2.171 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)CN1CCSC1=O 40553655 GBCFCAKZGIMKOD-VIFPVBQESA-N 312.366 2.180 0 40 DEAB O=C(CCNC(=O)c1ccco1)NC1C2CC3CC(C2)CC1C3 32721507 FDTPZUBXRBWYCF-UHFFFAOYSA-N 316.401 2.340 0 40 DEAB CN(C1CCCC1)S(=O)(=O)CCn1cnc2ccccc21 32848038 JECMUWDNTLLHGC-UHFFFAOYSA-N 307.419 2.241 0 40 DEAB O=C(NCCNC(=O)c1ccc(Cl)cc1)c1ccccc1 22973670 GTFQDBPYGWPRAP-UHFFFAOYSA-N 302.761 2.500 0 40 DEAB CCOC(=O)c1nnc2ccccc2c1N1C[C@@H](C)O[C@H](C)C1 77898897 HYHXWNWDAGMSDD-VXGBXAGGSA-N 315.373 2.420 0 40 DEAB CC[C@@H](C)OC(=O)c1[nH]c2c(c1C)C(=O)[C@@H](C(=O)OC)[C@@H](C)C2 4148920 IOZDSNZITSUTKA-SBMIAAHKSA-N 321.373 2.443 0 40 DEAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC2CC2)n1C 4947912 DOLWZROXUBWCTN-SECBINFHSA-N 306.391 2.143 0 40 DEAB COc1cc(C(=O)Nc2nnc(C)s2)cc(OC)c1OC 1279090 JRYRDCFOOOEDCT-UHFFFAOYSA-N 309.347 2.125 0 40 DEAB O=C(Cn1cc(-c2ccccc2)nn1)N(CC(F)(F)F)C1CC1 97016058 YEGKCMNEWJWAFN-UHFFFAOYSA-N 324.306 2.498 0 40 DEAB C[C@H](NC[C@@H]1CCOC1)c1cc(O)n2nc(C(C)(C)C)cc2n1 100217926 YQQKMVQVOIJPHO-RYUDHWBXSA-N 318.421 2.420 0 40 DEAB CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@@H]1c1ccccc1 57355487 FPZBUAIVZREQME-WMZOPIPTSA-N 323.396 2.308 0 40 DEAB Cc1cccn2c(=O)cc(CN3CCC(c4cc[nH]n4)CC3)nc12 58267380 WCMWWSUJLDBVAO-UHFFFAOYSA-N 323.400 2.106 0 40 DEAB COc1c(CNC[C@@H](c2ccc(C)cc2)N(C)C)c(C)nn1C 58297456 AQGFYIOEWQLERW-KRWDZBQOSA-N 316.449 2.438 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 44968722 AICIIMZZRHXBAM-OCCSQVGLSA-N 314.393 2.040 0 40 DEAB COc1ccc(CCNC(=O)N[C@@H](CC(C)C)C(=O)O)cc1 2106421 SYHZJGKGBLQNDG-AWEZNQCLSA-N 308.378 2.036 0 40 DEAB biogenic Cc1noc2ncc(C(=O)NC[C@@H](C)N3CCC(C)CC3)cc12 58393755 DSNAQNLHXLIXIO-GFCCVEGCSA-N 316.405 2.381 0 40 DEAB COc1c(CNC[C@@H](O)c2ccccc2)c(C(C)C)nn1C 58406849 IIMMFWAGPHPXIL-OAHLLOKOSA-N 303.406 2.375 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]2C1=O)C31CC1 100184376 MVROWXTYGUZCIV-NZBPQXDJSA-N 323.348 2.175 0 40 DEAB CC1CCC(NC(=O)CN2C(=O)C[C@@](C)(C(C)C)C2=O)CC1 72286901 GYBHGOCPWUAQPU-FVKWTLKZSA-N 308.422 2.103 0 40 DEAB COc1ccsc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97115116 MIMMFAGMLDOABD-UHFFFAOYSA-N 318.402 2.491 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cn1 29665714 WVTPOMFLCYLYGK-CQSZACIVSA-N 318.446 2.242 0 40 DEAB CCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(C)on1 12028704 DVPGLUMHLMUBPO-ZDUSSCGKSA-N 301.346 2.059 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NCc2cscn2)cc1 97113265 ADELKBQYGFKNPQ-GFCCVEGCSA-N 310.444 2.404 0 40 DEAB COc1ccc(-c2cc(CN3C(=O)NC(C)(C)C3=O)on2)cc1 13001609 BOWKCIKSNAZVHU-UHFFFAOYSA-N 315.329 2.181 0 40 DEAB CCNC(=O)CNc1ccc(C(=O)Nc2ccc(C)cc2)cn1 97102984 FMJVBTZBMAXYAS-UHFFFAOYSA-N 312.373 2.190 0 40 DEAB COC(=O)C1(C(=O)NCc2csc(-c3ccccc3)n2)CC1 97146583 FHKJWOKCAYUAIN-UHFFFAOYSA-N 316.382 2.380 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 64844388 RKCYVUZXBAQXKQ-MRXNPFEDSA-N 301.317 2.399 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)c1ccc(-c2nc(C)cs2)cc1 65566525 FVURCBFJMAHZSH-NSHDSACASA-N 317.414 2.373 0 40 DEAB Cc1cc(C)n(-c2nc(-c3ccccc3)cc(N(C)CCO)n2)n1 5352891 RNGZCXXRWLYMGX-UHFFFAOYSA-N 323.400 2.375 0 40 DEAB CNC(=O)NC(=O)[C@@H](C)OC(=O)C1CCC(C(C)(C)C)CC1 6500340 MZCIAZMHJVXVTJ-VOMCLLRMSA-N 312.410 2.226 0 40 DEAB C[C@H]1Cc2ccccc2N1CC(=O)N1CC(=O)Nc2ccccc21 5687552 MJUZWBVZOYIGIK-ZDUSSCGKSA-N 321.380 2.423 0 40 DEAB CCC1=C(C(=O)OC)[C@H](c2cccc(OC)c2)n2ncnc2N1 6851001 HYSOKTLGTWKOFE-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB COC(=O)c1ccc(NC(=O)COC(=O)c2cccs2)cc1 7534082 ALSCRWQIZVZODS-UHFFFAOYSA-N 319.338 2.330 0 40 DEAB Cc1ccccc1CSc1n[nH]c(=O)n1C[C@@H]1CCCO1 68904741 QWFHJSKLJPIVSY-ZDUSSCGKSA-N 305.403 2.351 0 40 DEAB C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 8193445 NACUPGFKGSPSKT-SMDDNHRTSA-N 322.430 2.428 0 40 DEAB C[C@@H](NC(=O)NCC(C)(C)C(N)=O)C(C)(C)c1ccccc1 70018482 OCKNNRUGEGIEFW-GFCCVEGCSA-N 305.422 2.163 0 40 DEAB NC(=O)COc1ccc(CNCc2cc(F)ccc2F)cc1 71837034 FDAHFTBGANAXHF-UHFFFAOYSA-N 306.312 2.119 0 40 DEAB CO[C@@H](C(=O)NCCC(=O)N1CCCC[C@@H]1C)c1ccccc1 69532815 WSFPQWBMZCVAMH-WMLDXEAASA-N 318.417 2.281 0 40 DEAB C[C@@H](NC(N)=O)C(=O)NC1c2ccccc2Oc2ccccc21 69593666 LYOPOWDGFXWPCA-SNVBAGLBSA-N 311.341 2.055 0 40 DEAB O=C(O)[C@@H]1CCC(=O)N(CCc2cccnc2)[C@@H]1c1ccco1 71857694 LIHHRTBNNKQDKQ-CJNGLKHVSA-N 314.341 2.282 0 40 DEAB Cc1ccccc1[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 69812041 PPKKXUJZLIWFDD-DZGCQCFKSA-N 324.446 2.178 0 40 DEAB C[C@@H](NCC(=O)N(C)Cc1cccs1)[C@@H](C)n1cccn1 69920072 DHEYSHNNFWJUIW-CHWSQXEVSA-N 306.435 2.142 0 40 DEAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@H]1C(=O)NC 95436954 PKAKZUYIMHYQNN-HOTGVXAUSA-N 317.433 2.236 0 40 DEAB O=C1CC[C@H](C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)N1 72510004 PZGKEBLXVHCPOG-OAHLLOKOSA-N 320.352 2.447 0 40 DEAB O=C(CN1CCC(Oc2ccccc2Cl)CC1)NC1CC1 95973846 LSFSRIHZQJRTMW-UHFFFAOYSA-N 308.809 2.462 0 40 DEAB COC[C@@H]1CN(C(=O)NCCc2cc3ccccc3o2)CCO1 74380445 NSIIFEGYWRZLGW-HNNXBMFYSA-N 318.373 2.032 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)OC[C@@H]1CCCN1C(N)=O 76090757 WGIDLDRIMLTWLQ-QEJZJMRPSA-N 302.374 2.185 0 40 DEAB CCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 408627035 XMEDEERIRDFHGL-UHFFFAOYSA-N 324.446 2.309 0 40 DEAB CCCn1c(N2C[C@@H](C)C[C@@H](C)C2)nc2c(C)nn(C)c2c1=O 32652959 ZTLMQROIOWAOEP-TXEJJXNPSA-N 317.437 2.331 0 40 DEAB Cc1cccc(CN2CCCN(C(=O)c3cscn3)CC2)n1 72351093 AJXIWKJGSMTFDR-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB Cc1nnsc1-c1nn2c(-c3ccncc3)nnc2s1 32073708 ZTGXNUFGYWCWDS-UHFFFAOYSA-N 301.360 2.075 0 40 DEAB O=C1C[C@@H](c2ccc3c(c2)OCO3)c2snc(C(=O)O)c2N1 66091367 GOWOZXIFYFLBLB-ZETCQYMHSA-N 318.310 2.044 0 40 DEAB CN(C)c1ccccc1CN1CCC(N2CCCC2=O)CC1 75717418 RRRQXWHIMKHIQE-UHFFFAOYSA-N 301.434 2.339 0 40 DEAB CCn1c(SC)nnc1C1CCN(c2cnccn2)CC1 72368903 JSWPRKQQAHJEBJ-UHFFFAOYSA-N 304.423 2.194 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222262397 GIGSGDYORBGHQR-NWHWRWDZSA-N 323.348 2.169 0 40 DEAB Cc1ccc2c(c1)[C@H](NC(=O)NCCc1nnc(C)s1)CO2 576039449 XUBVREFWOOOTMT-GFCCVEGCSA-N 318.402 2.130 0 40 DEAB CC(C)NC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccs2)C1 96227714 VRVBQURLYJCFQF-BBRMVZONSA-N 321.446 2.194 0 40 DEAB CS(=O)(=O)C1(c2nc(COc3ccccc3)no2)CCCC1 96449305 MWVWCGALECLDLA-UHFFFAOYSA-N 322.386 2.463 0 40 DEAB O=C(C[C@@H]1COCCN1C(=O)c1cscn1)c1ccccc1 96466904 MJVXOLKYHQZXRV-CYBMUJFWSA-N 316.382 2.257 0 40 DEAB CCc1cccc(C)c1NC(=O)CS(=O)(=O)N(CC)CC 96450284 QVCIONTVIBRNOH-UHFFFAOYSA-N 312.435 2.168 0 40 DEAB Cn1cccc1C(=O)N1CCc2ncnc(-c3ccoc3)c2CC1 96255167 TUZAQPLCYBTINW-UHFFFAOYSA-N 322.368 2.316 0 40 DEAB CCN(CC)C[C@H]1CN(Cc2nccs2)Cc2nccn2C1 96188280 BYZKJNCLRTUWFE-AWEZNQCLSA-N 319.478 2.313 0 40 DEAB C[S@@](=O)c1cccc(NC(=O)[C@H](C2CC2)N2CCCC2)c1 97376285 XAOAVYVDZPXOGA-BTYIYWSLSA-N 306.431 2.237 0 40 DEAB Cc1noc(C)c1CN1CCCN(C(=O)NC2CCCC2)CC1 98211904 CFJOSONERRGKQX-UHFFFAOYSA-N 320.437 2.451 0 40 DEAB C[C@@H]1C[C@H](NC(=O)CCc2cccnc2)C(=O)N1c1ccccc1 96425990 PMTVCZKZWSEBPB-PBHICJAKSA-N 323.396 2.324 0 40 DEAB Cc1occc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC1CC1 96316711 SIODJRKCGNHCMY-HUUCEWRRSA-N 302.374 2.204 0 40 DEAB CN(Cc1ccccn1)C(=O)c1nn(-c2ccccc2)cc1O 96436178 FBDDKVNMCGLWLE-UHFFFAOYSA-N 308.341 2.245 0 40 DEAB CN1CC[C@]2(C1)CN(CC1CC1)C[C@@H]2COCc1ccccn1 96216602 VQIFAGNKWSMTDW-MJGOQNOKSA-N 315.461 2.262 0 40 DEAB CCO[C@H]1CCOC2(C1)CN(C(=O)Cc1ccc(OC)cc1)C2 247928922 RCSKTSDXKHUGMI-INIZCTEOSA-N 319.401 2.034 0 40 DEAB COC[C@H]1CCN(C)C2(C1)CN(C(=O)c1cc(F)cc(F)c1)C2 248149827 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2.113 0 40 DEAB CCN1C(=O)CC[C@@]12CCCN(Cc1cnn(CC)c1)CC2 585100623 QHLILJIPKUFIQU-QGZVFWFLSA-N 304.438 2.270 0 40 DEAB O=C(Cn1nnc2ccccc21)N[C@@H]1C[C@H]1c1cccc(F)c1 67091879 CVCRSFSZLVPJFN-DZGCQCFKSA-N 310.332 2.243 0 40 DEAB O=C(Cn1nccc1-c1ccncc1)NCCOc1ccccc1 68776759 KJDCXONSVFPZBW-UHFFFAOYSA-N 322.368 2.140 0 40 DEAB COc1ncnc(OC)c1C(=O)N(C)Cc1ccc(F)c(F)c1 69436060 LHKAXLGNPIPFEC-UHFFFAOYSA-N 323.299 2.044 0 40 DEAB CN1CCO[C@H](CNCc2csc(-c3ccc(F)cc3)n2)C1 69560690 GICQPFKSEZOGPQ-OAHLLOKOSA-N 321.421 2.369 0 40 DEAB Cc1noc(CNc2ccccc2C(=O)NCC(F)(F)F)n1 36843349 RWLOMOJCZOFWDB-UHFFFAOYSA-N 314.267 2.282 0 40 DEAB CCOC(=O)[C@H]1CCCN(Cc2nnc(-c3ccco3)o2)C1 58013744 MWHCYDOAJZHHDA-NSHDSACASA-N 305.334 2.105 0 40 DEAB COc1ccc2[nH]cc(NC(=O)NCc3ccncc3)c(=O)c2c1 13565916 BXLGTSWHGMLHNQ-UHFFFAOYSA-N 324.340 2.253 0 40 DEAB CCC[C@@H](C)NC(=O)CN(CC)S(=O)(=O)c1ccccc1 16637394 WILRLKZKCFBYQP-CYBMUJFWSA-N 312.435 2.002 0 40 DEAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)N3CCCCC3)C2)s1 19747971 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2.281 0 40 DEAB COc1ccc2cc(C(=O)NCc3ccccn3)c(=O)oc2c1 226042632 ZXOIICQFUBJUPN-UHFFFAOYSA-N 310.309 2.127 0 40 DEAB COc1cccc(/C(C)=C/C(=O)N2CCCC[C@@H]2CC(N)=O)c1 81727908 ALCYZRJJTDQDRY-NRMKIYEFSA-N 316.401 2.355 0 40 DEAB CC[C@H](C)NC(=O)c1ccc(Cn2ncc3c2c(C)nn3C)o1 41123746 VQKIPAMFYVMGPX-JTQLQIEISA-N 315.377 2.248 0 40 DEAB COc1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1C 225583784 YXTWCXLDUBNKCB-UHFFFAOYSA-N 306.387 2.064 0 40 DEAB CC[C@H]1CCCN(S(=O)(=O)c2cnc3onc(C)c3c2)C1 96403290 GSLPDEUBICRJGA-NSHDSACASA-N 309.391 2.342 0 40 DEAB CCO[C@H]1COC2(CCN(C(=O)Cc3ccsc3)CC2)C1 96220595 XMJZIZQBDMPGSP-CQSZACIVSA-N 309.431 2.477 0 40 DEAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1=O)C1=CCCCO1 97212730 RKUVZKYDOGPMKU-CQSZACIVSA-N 318.348 2.132 0 40 DEAB Cc1ccc(/C=C/C(=O)NCCCNC(=O)c2occc2C)o1 96414004 FTGGSWCYJROWRY-VOTSOKGWSA-N 316.357 2.439 0 40 DEAB Cn1cc([C@@H]2COC3(CCN(CC4CCOCC4)CC3)C2)cn1 96047809 FBLYCKWTYSDOCM-INIZCTEOSA-N 319.449 2.185 0 40 DEAB CO[C@H]1CCN(Cc2scnc2C)[C@@H]2CN(CC3CC3)C[C@H]12 96109450 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IKNJRKPTQWPIGO-UHFFFAOYSA-N 320.389 2.337 0 40 DEAB C[C@@H](O)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 12650929 CTTIQIOTCUBWFN-ZBFHGGJFSA-N 306.406 2.100 0 40 DEAB CN(C)[C@@H](CNC(=O)[C@H]1CCOC1)c1cc2ccccc2o1 575609417 XPZBIDCLGJCVLY-KBPBESRZSA-N 302.374 2.188 0 40 DEAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)[C@@H]1CCOC1 238942664 WDCLWQDHWGPKDX-IAQYHMDHSA-N 323.439 2.198 0 40 DEAB CCCNC(=O)Cc1csc(NC(=O)NC2CCCC2)n1 9626192 NUFAURGPAFVOIE-UHFFFAOYSA-N 310.423 2.276 0 40 DEAB O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)Nc1ccncc1 13808070 QIYQGKNUMLPYSR-UHFFFAOYSA-N 324.315 2.083 0 40 DEAB Cc1ccnc(N[C@@]2(C(F)(F)F)N=C3SCCN3C2=O)c1 19857588 NJJAIWALWICWIB-LLVKDONJSA-N 316.308 2.006 0 40 DEAB Cc1cc2ncc(NC(=O)NCCOc3ccccc3)cn2n1 206740189 URLDIMZBBWGIBD-UHFFFAOYSA-N 311.345 2.238 0 40 DEAB O=S(=O)(/C=C/c1ccccc1)N1CC(Oc2nccs2)C1 208032815 WETWFAZHNZQYDG-RMKNXTFCSA-N 322.411 2.207 0 40 DEAB Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccco2)cc1F 44444156 XUABGUXZBSXQMO-LLVKDONJSA-N 304.321 2.413 0 40 DEAB O=C(NCc1ccccn1)Nc1cc(C(F)(F)F)c[nH]c1=O 50038740 XSJGVDUSCGZHJV-UHFFFAOYSA-N 312.251 2.110 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)N2CCn3cccc3[C@@H]2C)c1C 30262587 FQNJJNZLWYPBRP-LBPRGKRZSA-N 315.373 2.437 0 40 DEAB CCCOc1ccc([C@H]2C=C(C(=O)O)Nc3ncnn32)cc1 100684598 CSFAKVGMILFBQR-CYBMUJFWSA-N 300.318 2.050 0 40 DEAB O=C(NCCc1cccs1)C1CCN(c2ncccn2)CC1 40544264 PAYWUTXHEUDMCD-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB C[C@H](NC(=O)CCOc1cccc(F)c1)c1nnc2n1CCC2 40522760 JXUKZBTXAGHUTH-NSHDSACASA-N 318.352 2.010 0 40 DEAB Cn1ncc2c(=O)[nH]c(CN3CCC[C@H]3c3cccs3)nc21 52799148 QFCZXAGHDOUEHF-NSHDSACASA-N 315.402 2.055 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@H]2CCCC[C@@H]2C1 21905307 AMGBCHVYVITNSN-BFHYXJOUSA-N 304.390 2.437 0 40 DEAB Cc1ocnc1C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 103132247 WLVOGAWZZOSLOX-INIZCTEOSA-N 313.401 2.277 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)COc3ccc(F)cc3)cc12 22472934 IAFPGBHVJJOOIE-UHFFFAOYSA-N 314.320 2.433 0 40 DEAB COc1ccc(C=O)cc1Cn1ncc(Cl)c(Cl)c1=O 47221540 DUKARHZTKHYNRU-UHFFFAOYSA-N 313.140 2.420 0 40 DEAB Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccs1 427271 CMCKKJTUWFPJCI-UHFFFAOYSA-N 324.427 2.316 0 40 DEAB Cc1ccc(N2CCC[C@H](NCc3cnc(C)s3)C2)nn1 95351563 KUIPCSUPJJPXPK-ZDUSSCGKSA-N 303.435 2.309 0 40 DEAB CCc1ccc(CNC(=O)N[C@H](C)C(=O)N[C@@H](C)CC)s1 71186247 KJHRGLJJVMKQQV-WDEREUQCSA-N 311.451 2.413 0 40 DEAB O=C(NC[C@H](O)c1ccsc1)C1=Cc2ccccc2OC1 79066274 JKQXCYYBRDORIX-AWEZNQCLSA-N 301.367 2.374 0 40 DEAB CCn1c(C)cc(C(=O)CSc2nc(N)cc(N)n2)c1C 6533186 BQAOKBXEXNBVRW-UHFFFAOYSA-N 305.407 2.054 0 40 DEAB Cc1nnc(S/C(=C\c2ccc3c(c2)OCO3)C(=O)O)o1 7603558 VYSVKWVVMPIGRO-WZUFQYTHSA-N 306.299 2.325 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(-c2ccco2)on1 24993516 WMHXISHREBPKNV-LLVKDONJSA-N 312.329 2.476 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2oc(=O)ccc2c1 54294191 NIPCADZBJYVVAY-UHFFFAOYSA-N 320.326 2.199 0 40 DEAB COCCN1CCN(Cc2nc3ccccc3nc2C)C[C@@H]1C 106786661 GUFMTEDNPOJMPA-AWEZNQCLSA-N 314.433 2.091 0 40 DEAB NC(=O)c1cccc(C(=O)N2CCC(Oc3ccccc3)CC2)c1 55975883 OVAAQBJTXYMXDS-UHFFFAOYSA-N 324.380 2.469 0 40 DEAB Cn1ccnc1[C@@H](Nc1cn[nH]c(=O)c1Cl)c1ccccc1 12627414 HBIZKRANBXNXBJ-ZDUSSCGKSA-N 315.764 2.358 0 40 DEAB COC(=O)c1sccc1S(=O)(=O)N[C@@H](C)c1ccco1 26980868 CFTSKSZXHGWOME-QMMMGPOBSA-N 315.372 2.167 0 40 DEAB COc1ccc(CCNC(=N)NCc2csc(C)n2)cc1 57752230 YWUIXAKAEBKYFM-UHFFFAOYSA-N 304.419 2.317 0 40 DEAB Cc1cc(C)c(C)c(OCC(=O)N(C)Cc2cnn(C)c2)c1 75092232 JLDXMWYWPWCQPU-UHFFFAOYSA-N 301.390 2.383 0 40 DEAB CCOc1cccc(CNCC(C)(C)N2CCS(=O)CC2)c1 75092254 BUZPDNKTLMGKSI-UHFFFAOYSA-N 324.490 2.018 0 40 DEAB COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C1CCC1 44896467 PUUSZPWPPHXLHO-UHFFFAOYSA-N 318.373 2.048 0 40 DEAB CCN(CC)C(=O)CNC(=O)N1CC[C@@H](c2ccccc2)C1 58293867 YPNWBOIQTSSUTQ-OAHLLOKOSA-N 303.406 2.054 0 40 DEAB Cc1nc2ncnn2c(N[C@@H]2CCO[C@]3(CCSC3)C2)c1C 89556243 BBILTMQKAPZQBD-IUODEOHRSA-N 319.434 2.208 0 40 DEAB CCCn1c(=O)n(Cc2ccc(C(N)=O)cc2)c2ccccc21 12773712 GTCUVYOIVUKOLU-UHFFFAOYSA-N 309.369 2.360 0 40 DEAB CN(C)c1ccc(CNC(=O)NCCc2cccs2)cn1 44914814 KORDNZLUIFKBAY-UHFFFAOYSA-N 304.419 2.251 0 40 DEAB COc1cc(OC)c(C(=O)OCC(=O)C(C)(C)C)cc1OC 3325596 YDAFLLDUJWBDQC-UHFFFAOYSA-N 310.346 2.484 0 40 DEAB O=C(Cn1ccc(=O)c2ccccc21)N1CCOc2ccccc21 58369394 XHZSCCJVHVAVRD-UHFFFAOYSA-N 320.348 2.427 0 40 DEAB COc1ccc(NC(=O)[C@H](C)N2CC[C@H](N3CCCC3)C2)cc1 58343952 XPJOMECYWFNVNW-HOCLYGCPSA-N 317.433 2.192 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](c1ccccc1)N(C)C 58392236 XDTOCJRGWDHAOZ-KRWDZBQOSA-N 315.465 2.187 0 40 DEAB CC(C)c1nn(C)c(N(C)C)c1CNC[C@@H]1CCN(C2CC2)C1 58391481 SEMQRYOEXCJFNN-AWEZNQCLSA-N 319.497 2.183 0 40 DEAB O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccc2c(c1)CCO2 48331757 LRSFHVRHPRWLAA-UHFFFAOYSA-N 307.313 2.054 0 40 DEAB Cc1ccc(CN2CCOC[C@@]3(C[C@@H](CN(C)C)CO3)C2)s1 107738579 FOPSIGWHEHBWMQ-DOTOQJQBSA-N 324.490 2.226 0 40 DEAB COCc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 2497412 RKGKIVANLMIXQY-UHFFFAOYSA-N 313.766 2.355 0 40 DEAB O=c1oc(-c2cccs2)nn1C[C@@H](O)c1ccccc1F 28915222 MFIIMUVUOFCYER-LLVKDONJSA-N 306.318 2.438 0 40 DEAB O=C(NCCCc1nccs1)c1cc2c([nH]c1=O)CCCC2 95394492 WCVNAEPTHBTUBW-UHFFFAOYSA-N 317.414 2.073 0 40 DEAB C[C@H](NC(=O)CN1CCC(O)CC1)c1cc2ccccc2o1 36869733 YFEVXLLOTPAYKT-LBPRGKRZSA-N 302.374 2.067 0 40 DEAB Cc1noc(C)c1NC(=O)N1CCN(Cc2ccncc2)CC1 60382071 IJHLCGRRHIVPSS-UHFFFAOYSA-N 315.377 2.036 0 40 DEAB CCOC(=O)[C@](O)(CC(=O)Nc1ccccc1F)C(F)(F)F 2770545 DQGNOYHTGZOAOU-GFCCVEGCSA-N 323.242 2.011 0 40 DEAB O=C(NCCNc1ncccn1)c1cc2c(s1)CCCC2 47106539 FPIRPLKOBBGALD-UHFFFAOYSA-N 302.403 2.259 0 40 DEAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C(=O)O)cc2)o1 13089526 WIGLIIWRYWSMRD-SNVBAGLBSA-N 309.343 2.326 0 40 DEAB O=C(c1ccc(Cl)o1)N1CCCN(C[C@H]2CCCO2)CC1 65415734 QYTRBAJNDGMBEJ-GFCCVEGCSA-N 312.797 2.260 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2c([nH]c1=O)CCCC2=O 65564773 XGEUABWEXBRDQU-GHMZBOCLSA-N 302.374 2.297 0 40 DEAB O=C(NCCc1nnc2ccccn12)c1ccc(Cl)cc1 14247151 OEZFVRUVUMBLPN-UHFFFAOYSA-N 300.749 2.355 0 40 DEAB O=C(c1cccc(N2CCCCS2(=O)=O)c1)N1CCCCC1 5439040 UTGAMPQGHOILSV-UHFFFAOYSA-N 322.430 2.243 0 40 DEAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC1CC1 5499499 BSRFPZJLMKDFFJ-NSHDSACASA-N 316.430 2.165 0 40 DEAB CN(C(=O)COc1ccc(Cl)cc1C(N)=O)c1ccccc1 7022517 UQKCYRJNFGOPFE-UHFFFAOYSA-N 318.760 2.481 0 40 DEAB O=C(CS(=O)(=O)C1CCCC1)N[C@@H]1C[C@@H]1c1ccccc1 67515938 MWFUTNNWPNZZHA-HUUCEWRRSA-N 307.415 2.016 0 40 DEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)NC1CCCC1 15593147 SGZMETCKCPYXFG-LBPRGKRZSA-N 310.419 2.190 0 40 DEAB O=C(NCc1cccc(Cl)c1)[C@H]1CCCN1c1ncccn1 80468178 ORKOPDMISLXEKT-CQSZACIVSA-N 316.792 2.415 0 40 DEAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CCCC[C@@H]1c1ncc[nH]1 95401103 KMYUKQKUYYVOHG-DGAVXFQQSA-N 318.421 2.460 0 40 DEAB O=C(NC[C@H]1SCCc2ccccc21)N1CCC(CO)CC1 96455197 LTFHFRPXJWOFPZ-MRXNPFEDSA-N 320.458 2.431 0 40 DEAB CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H](C(N)=O)C(C)C 70014558 BRUODMDOCXYPPR-MLGOLLRUSA-N 306.406 2.205 0 40 DEAB COc1ccc(Cl)cc1CNC[C@@H]1CN(C2CC2)CCO1 71880881 RYHIGOZLZOBPPS-OAHLLOKOSA-N 310.825 2.301 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCCN(c2nccs2)CC1 71830687 VGQCZJZKMZAHGL-UHFFFAOYSA-N 320.418 2.029 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)c2ccccc2Cl)[C@@H]1CN 70177368 CEDRIYMHOGJHBE-CMPLNLGQSA-N 302.827 2.088 0 40 DEAB CN(C[C@@H]1CCCN(Cc2nccn2C)C1)C(=O)OC(C)(C)C 69492588 COZKJTXFBKKQCW-AWEZNQCLSA-N 322.453 2.499 0 40 DEAB O=c1c2ccccc2ncn1Cc1nnc(-c2ccccc2)o1 8402931 KNKBLVJUKMWQSY-UHFFFAOYSA-N 304.309 2.495 0 40 DEAB Cc1ccsc1C(=O)N1CSC[C@@H]1C(=O)N(C)C(C)C 69570830 RYHXZWVRNBWCDE-LLVKDONJSA-N 312.460 2.438 0 40 DEAB CC(C)Oc1ccccc1[C@H]1C=C(C(=O)O)Nc2ncnn21 8594232 HBYZGZANTCLNIT-GFCCVEGCSA-N 300.318 2.049 0 40 DEAB CCc1oc2ccccc2c1CN1C[C@@H](C)O[C@@H](C(N)=O)C1 92006666 IEAZTYHOKMNWKB-BDJLRTHQSA-N 302.374 2.070 0 40 DEAB COCc1ccc([C@@H]2CCCN2C(=O)NCCn2ccnc2)o1 97094702 AWASSAGBIMPBPR-AWEZNQCLSA-N 318.377 2.169 0 40 DEAB CN(C(=O)c1c(F)cc(Br)cc1F)[C@@H]1CCNC1 94716990 JRFQGPBKPQMWCF-MRVPVSSYSA-N 319.149 2.161 0 40 DEAB CCCC(=O)N[C@H]1CCCN(c2cncc(OC(C)C)n2)C1 97163567 XVQNFSJZSVPRNP-ZDUSSCGKSA-N 306.410 2.149 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(CO)c2)C12CCC2 74108774 KMIFXTYCCIHCTO-HZPDHXFCSA-N 318.417 2.326 0 40 DEAB CCCC[C@H](N)C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1 95996285 IYHYLFRRTIHXHO-JKSUJKDBSA-N 306.406 2.113 0 40 DEAB Cc1nn(-c2ccc(Br)cc2)cc1CN[C@@H](C)CO 95978110 DEMLFDMUUSCLKY-JTQLQIEISA-N 324.222 2.414 0 40 DEAB COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1cc(C(C)C)nn1C 95983614 NAEZRUOFNSHFQW-SJKOYZFVSA-N 321.421 2.395 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCN1CCC(N2CCN(C)C2=O)CC1 75604164 DDSYPGZCOPUMJA-NVXWUHKLSA-N 323.481 2.414 0 40 DEAB COCCCNC(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1 76016751 DAYVURVSSBCHBS-HNNXBMFYSA-N 308.422 2.353 0 40 DEAB Cc1nsc(N2CCN(Cc3ccc(Cl)cn3)CC2)n1 554312236 HGSNHNRODICFNJ-UHFFFAOYSA-N 309.826 2.217 0 40 DEAB CCCn1nccc1C(=O)NCc1ccc(OC)c(OC)c1 28222573 OYOMWCNRAIOTJW-UHFFFAOYSA-N 303.362 2.240 0 40 DEAB COc1ccc(NC(=O)NC(=O)Cn2ccnc2C2CC2)cc1 530131331 FHQWESRPCPYYOD-UHFFFAOYSA-N 314.345 2.117 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCOc2ccc(Cl)cc2)CC1=O 32816304 BPACUOPATORHMM-LBPRGKRZSA-N 324.808 2.092 0 40 DEAB O=S(=O)(c1cccs1)N1CCC[C@H](c2cnccn2)C1 72369388 VRBDWXONYSOUMP-NSHDSACASA-N 309.416 2.106 0 40 DEAB COc1cccc(CN2C[C@@H](C(=O)O)[C@@H](c3ccccc3)C2)n1 566368933 VXPADAWLDZEZRG-HZPDHXFCSA-N 312.369 2.390 0 40 DEAB COc1cc(S(=O)(=O)Nc2nccs2)c(OC)cc1C 72414553 RSXKSIIJTCNDPB-UHFFFAOYSA-N 314.388 2.270 0 40 DEAB CC[C@H](C)NC(=O)CN1CCN([C@H]2C=CCCCCC2)CC1 575430473 DWNGXTITRATIIU-IRXDYDNUSA-N 307.482 2.408 0 40 DEAB Cc1cc(-c2noc(CNC(=O)C3(c4ccccc4)CC3)n2)no1 225812934 CWOFNGCTOLASJH-UHFFFAOYSA-N 324.340 2.381 0 40 DEAB COCCN1[C@H](C)CN(C[C@H](OC)c2ccccc2)C[C@H]1C 225786057 VSOKUUINRNPAGE-NUJGCVRESA-N 306.450 2.415 0 40 DEAB C[C@@]1(CNc2ncnc3ccncc23)OCCc2sccc21 577253032 NCPYSULHCUOVBB-INIZCTEOSA-N 312.398 2.986 0 40 DEAB CCS[C@@H]1CCC[C@@H](NC(=O)CNC(=O)C(C)(C)C)C1 96451465 GFBYKLCBDHSNJZ-VXGBXAGGSA-N 300.468 2.329 0 40 DEAB COc1ccc(C(C)(C)CNC(=O)CNCC(F)(F)F)cc1 96405896 VEZHLKLKRJKKOT-UHFFFAOYSA-N 318.339 2.241 0 40 DEAB CC(C)n1ccc2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc21 95475069 KKZJFPWACGWXBV-AWEZNQCLSA-N 320.414 2.139 0 40 DEAB CCn1cc2c(n1)CN(Cc1scnc1C)C[C@H]2COC 96068688 KNVVPIBOWBYBGL-LBPRGKRZSA-N 306.435 2.414 0 40 DEAB O=C1N(c2cccnc2)CC12CCN(Cc1nccs1)CC2 96202994 FYSRDWLQCHDELH-UHFFFAOYSA-N 314.414 2.167 0 40 DEAB C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O 248860498 ACNAHHGLJJAILT-WJZNIJOASA-N 322.327 2.046 0 40 DEAB COc1ccc([C@@H]2CN(Cc3cnc(C)nc3)CCN2C)cc1 257278452 OCIOEBJQGCYQDC-SFHVURJKSA-N 312.417 2.282 0 40 DEAB c1ccc(CO[C@H]2CN(c3ncccn3)C[C@@]23CCCO3)cc1 257322155 WEUKIRGULJFMFD-WMZOPIPTSA-N 311.385 2.431 0 40 DEAB Cc1nccc(C(=O)N2C[C@H](c3ccccc3)[C@H]3CNCC[C@H]32)n1 257274105 NJOYRQPRPAQQNS-JFIYKMOQSA-N 322.412 2.003 0 40 DEAB CC(=O)c1ccc(N2C[C@H]3CCCC[C@H]3C2)c(S(N)(=O)=O)c1 252497409 QGSKRYOPVKKLLQ-OKILXGFUSA-N 322.430 2.163 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)c1ccc2c(c1)CCO2 26244122 FBFDDRWKQOBTPN-UHFFFAOYSA-N 306.321 2.214 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cn4c(C)cccc4n3)C2)n1 257322307 WFKUCGRUZCNSJD-CQSZACIVSA-N 323.400 2.314 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575404539 NXMBSZJJRSPVDG-CQSZACIVSA-N 302.374 2.021 0 40 DEAB Cc1noc([C@@H]2CCC3(CCN(C(=O)C4(F)CC4)CC3)O2)n1 585113489 QBEZYERNIBDENM-NSHDSACASA-N 309.341 2.093 0 40 DEAB O=C(CN1CCCC[C@H]1Cc1ccccc1)NC[C@@H]1CCOC1 69453463 NJMNOHWPPFOYDF-ROUUACIJSA-N 316.445 2.236 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 40473746 NAUZSQVQMXFQFI-LBPRGKRZSA-N 320.418 2.260 0 40 DEAB O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ncncc1Cl 84514731 XUHAKWGKRBQYGC-UHFFFAOYSA-N 318.699 2.307 0 40 DEAB CCc1nnc(CN2CCOC[C@@H]2CC(=O)c2ccccc2)o1 97162982 WQFDBQOOJOFNEE-AWEZNQCLSA-N 315.373 2.106 0 40 DEAB Cc1cccnc1OCC1CCN(c2ccc3nncn3n2)CC1 585526145 HGCRHTVOKNWGJF-UHFFFAOYSA-N 324.388 2.123 0 40 DEAB COC[C@](C)(CNC(=O)c1cccc(Br)c1)OC 575611353 FBEPXBNMKMCIAC-ZDUSSCGKSA-N 316.195 2.230 0 40 DEAB C[C@@]12CC[C@@H]3C[C@]1(C(N)=O)N(C(=O)c1ccccc1F)C[C@]32C 1740818980 HTKLMKFWSRLMIM-QXNHNSEWSA-N 316.376 2.332 0 40 DEAB CCN(CC)C(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C 5001220 AKWBFUIYQCSBSI-LLVKDONJSA-N 319.430 2.283 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)Nc3ccc(F)cc3)n2)cc1 5491869 XDVRTEDIPLYDNJ-UHFFFAOYSA-N 311.320 2.426 0 40 DEAB Cc1ccc(OCCNC(=O)[C@H]2COc3ccccc3O2)cc1 5814565 TUKVGITWYKHRAE-QGZVFWFLSA-N 313.353 2.330 0 40 DEAB COCCN1Cc2cc3cc(C)ccc3nc2O[C@H](C)C1=O 12115605 WQIVFYYTHJXMDI-GFCCVEGCSA-N 300.358 2.299 0 40 DEAB CN1CCC(N(CCc2ccccc2)C(=O)CCC(=O)O)CC1 12481363 SZMXTNNXRAJZDD-UHFFFAOYSA-N 318.417 2.017 0 40 DEAB C[C@H]1CN(C(=O)CSc2nc3ccccc3[nH]2)C[C@@H](C)O1 15275594 CKBTXSSWJHRNAD-PHIMTYICSA-N 305.403 2.291 0 40 DEAB O=C(O)c1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 16449130 DRDTZDDDBSPMAN-ZROIWOOFSA-N 322.345 2.155 0 40 DEAB Cc1ccc(C)c(-n2ncc(C(=O)N3CCC[C@@H]3CO)c2C)c1 154061142 MMKIUTJUXNPHOI-OAHLLOKOSA-N 313.401 2.394 0 40 DEAB Cc1cc(C)c(C)c(OC[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 226458444 RIFUKZDWMMEXHW-YQQAZPJKSA-N 307.434 2.461 0 40 DEAB COc1ccc(CC(=O)NCC2CCN(C(C)C)CC2)cc1 12442728 RYGCNZOSUVYUBS-UHFFFAOYSA-N 304.434 2.474 0 40 DEAB Cn1cccc1[C@]1(O)CCC[C@@H]2CN(C(=O)c3ccco3)C[C@H]21 248082670 ARLGVIAOSKEACO-LBTNJELSSA-N 314.385 2.378 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2F)C[C@@H](C)O1 14138296 XALCOQWQEWAIBY-DTORHVGOSA-N 307.774 2.277 0 40 DEAB CN(C)C(=O)c1ccc(NC(=O)c2cc(C3CC3)nn2C)cc1 4745497 DCLKFDGUGTUDAY-UHFFFAOYSA-N 312.373 2.252 0 40 DEAB CCn1nnc2c(Nc3cc(OC)ccc3OC)ncnc21 5250582 CTDDMARRJRORHF-UHFFFAOYSA-N 300.322 2.002 0 40 DEAB Cc1cccc(NC(=O)Cn2cnc(-c3ccccc3)cc2=O)n1 13806297 YEBRUAHXPDDSNV-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB Cn1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 585389732 KOBJRBUTBIQFAZ-LBPRGKRZSA-N 323.393 2.128 0 40 DEAB COc1cccc([C@@H](CNc2ncnc3c2cnn3C)OC)c1 528067846 LKFLRGQJQZJFHP-CQSZACIVSA-N 313.361 2.172 0 40 DEAB O=C(c1ccc(-n2cncn2)cc1)N1CCO[C@H]2CCCC[C@@H]21 40554172 LYKQSSQKMZTQTH-HOTGVXAUSA-N 312.373 2.051 0 40 DEAB C[C@H](NC(=O)c1cc(F)ccc1F)c1nnc2ccccn12 32809137 VVYBNBFAAWTGOJ-VIFPVBQESA-N 302.284 2.499 0 40 DEAB CC(=O)Nn1c(COc2ccccc2C)nc2ccccc2c1=O 522417 QMDFSHVHDMWLSO-UHFFFAOYSA-N 323.352 2.374 0 40 DEAB O=C(NCCc1ccc(O)cc1)Nc1ccc2c(c1)OCO2 53747689 UIDOQNCVUUFRIP-UHFFFAOYSA-N 300.314 2.485 0 40 DEAB CC(C)Cc1noc(COc2cccc(S(C)(=O)=O)c2)n1 47363425 YVPHFHIJRJYULL-UHFFFAOYSA-N 310.375 2.251 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccccc1C(=O)NC1CC1 9058135 GARILBVZAKMAAK-UHFFFAOYSA-N 313.357 2.365 0 40 DEAB CSCC[C@@H](C)NC(=O)NC[C@@](C)(O)c1ccc(C)o1 78942267 UPVUNGALMKTYDF-QMTHXVAHSA-N 300.424 2.236 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C(=O)CC1CCCCC1)C1CC1 79093996 RMYPVNGOAVKVPG-LBPRGKRZSA-N 301.452 2.381 0 40 DEAB Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCC[C@@H](C)C1 42484794 DLHCSTMGHFUFBY-YYTPVVGHSA-N 311.389 2.238 0 40 DEAB COc1cccc2c(C)cc(N(C[C@@H](C)O)C[C@@H](C)O)nc12 23634415 OFLYDQLEEMCXRF-CHWSQXEVSA-N 304.390 2.120 0 40 DEAB COCCNC(=O)[C@H](OC(=O)c1ccco1)c1ccccc1F 4901589 SJHNJKAMURSKPR-CQSZACIVSA-N 321.304 2.079 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2 6886567 HJIVGTFQOMACLF-UHFFFAOYSA-N 313.309 2.368 0 40 DEAB Fc1ccc(N2CCN(c3nnnn3-c3ccccc3)CC2)cc1 1351938 JRUNQXOQLKLECP-UHFFFAOYSA-N 324.363 2.128 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1NC(=O)[C@H]1C[C@@H]2CC[C@@H]1C2 100459449 XNCHKOACOVXTQK-WZRBSPASSA-N 308.403 2.017 0 40 DEAB Cn1cnnc1SCc1ccc(C(=O)N2CCCC2)cc1 25697038 SJTHWJVHKGCFPP-UHFFFAOYSA-N 302.403 2.343 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)NC1CCCCCC1 26008818 PRHQJSIDJHANCZ-UHFFFAOYSA-N 321.373 2.252 0 40 DEAB O=C(NC[C@H]1COCCO1)NC1CCC(c2ccccc2)CC1 57081157 HNCRKTNDKFUOIA-JCYILVPMSA-N 318.417 2.427 0 40 DEAB O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)[C@H]1C[C@H]1C(=O)O 108358515 BGNYQSMUJRIMHM-DTHBNOIPSA-N 313.275 2.398 0 40 DEAB C[C@H](c1ccccn1)N(C(=O)[C@@H]1CCN(C)C(=O)C1)C1CC1 57512385 RXZFHSVMHOQEDL-CHWSQXEVSA-N 301.390 2.002 0 40 DEAB CN1CCCN(C(=O)CCc2cnn(C)c2)c2cc(F)ccc21 72293345 OPZGQMFGSKTCFE-UHFFFAOYSA-N 316.380 2.365 0 40 DEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 62119987 YCJGIMIAWSDKIN-ZETCQYMHSA-N 324.185 2.089 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N(C[C@H]1CCOC1)C1CC1 48251628 IZPBTXGPVHKHRQ-LLVKDONJSA-N 301.346 2.311 0 40 DEAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1ncccn1 28227190 UOXBBYOUNZBWAM-UHFFFAOYSA-N 311.267 2.208 0 40 DEAB CC(=O)c1c(N[C@@H](Cc2ccccc2)C(=O)O)oc(C)cc1=O 27525892 KASBSPCCNIEAAV-ZDUSSCGKSA-N 315.325 2.259 0 40 DEAB COc1ccccc1CNC(=O)NCCC1CCN(C)CC1 58248270 XHEKJPSMXXQTDX-UHFFFAOYSA-N 305.422 2.226 0 40 DEAB O=C(NCCc1ccccn1)NC[C@@H]1COc2ccccc2C1 44947224 JGAIXENEQPWSSW-CQSZACIVSA-N 311.385 2.175 0 40 DEAB O=C1CN(C(=O)Cc2ccc3c(c2)CCO3)c2ccccc2N1 12797808 PRFPGKCLFZZCQP-UHFFFAOYSA-N 308.337 2.149 0 40 DEAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccccn2)CC1=O 27652848 PUDDLIVRPGGPGZ-LBPRGKRZSA-N 311.341 2.082 0 40 DEAB O=C(c1ccccc1O)N1CCCN(c2nccs2)CC1 58423539 MQOCKEWYSUCHIU-UHFFFAOYSA-N 303.387 2.201 0 40 DEAB CCN(CC)CCNC(=O)CCn1ncc2c(C)cccc21 57280369 YSLHQDSCYUWYNM-UHFFFAOYSA-N 302.422 2.193 0 40 DEAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cnc2n1CCC2 97165056 QELZARKPIJENIE-UHFFFAOYSA-N 315.757 2.423 0 40 DEAB CC[C@H](CO)NC(=O)Nc1cc(-c2ccccc2C)nn1C 97142061 XXGAHCPPOFCCFT-GFCCVEGCSA-N 302.378 2.288 0 40 DEAB CC(C)c1noc(CCCC(=O)N[C@H]2CCN3CCCC[C@@H]23)n1 60573253 RROLNZVIBPUCJG-KBPBESRZSA-N 320.437 2.259 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N[C@H](C)Cc1ccccc1Cl 46931107 YWDQPXOEDVPXNH-ABAIWWIYSA-N 308.809 2.398 0 40 DEAB CCOc1ccc(NC(=O)Cn2c(=O)cnc3ccccc32)cc1 3607898 OYBCDRAWMBZBLK-UHFFFAOYSA-N 323.352 2.434 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NCc1cn2cc(Br)ccc2n1 48750063 UYYQNXIPFWXTEE-KWQFWETISA-N 308.179 2.369 0 40 DEAB Cn1cc(C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cn1 84317351 LXBNWQZBIQCVJM-UHFFFAOYSA-N 324.306 2.449 0 40 DEAB COc1cc(C(=O)O)ccc1OCC(=O)N1CCC[C@H](C)C1 13419646 XRRGPQKLNLEQIJ-NSHDSACASA-N 307.346 2.031 0 40 DEAB COC(=O)CCC(=O)N1c2ccc(C)cc2[C@@H]2CN(C)CC[C@@H]21 4027826 YFIHNSLWCHRTFQ-HOCLYGCPSA-N 316.401 2.083 0 40 DEAB biogenic Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)Cn1ccnc1 65410808 DHZPEKNQKHAKOU-SNVBAGLBSA-N 313.810 2.212 0 40 DEAB O=S(=O)(Nc1ccncc1)c1ccc2c(c1)OCCCO2 65620771 BQQNMJCPNSDRDT-UHFFFAOYSA-N 306.343 2.044 0 40 DEAB CCCOc1cccc(CN2CCS(=O)(=O)C(C)(C)C2)c1 93735549 XOLCRYHYSSSTQV-UHFFFAOYSA-N 311.447 2.484 0 40 DEAB CC(C)N(C(=O)CN1CCC(=O)NC1=O)c1ccc(Cl)cc1 95394711 YSTKPNXVFSWLIM-UHFFFAOYSA-N 323.780 2.023 0 40 DEAB Cc1nn2cnnc2c(C)c1CCC(=O)NC1CCCCC1 6917550 XUOUAEMUICZCPN-UHFFFAOYSA-N 301.394 2.123 0 40 DEAB Cc1nn(CC(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)c1Cl 71796728 HSBNIPDKRHCGSH-ZDUSSCGKSA-N 321.812 2.251 0 40 DEAB NC(=O)c1ccc(OCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)cc1 7467595 DYXNCPRNNPCLGW-BBRMVZONSA-N 316.401 2.346 0 40 DEAB Cc1cnc(CCNS(=O)(=O)c2ccc(F)cc2F)s1 96428333 VVJIWANTHQUEIX-UHFFFAOYSA-N 318.370 2.251 0 40 DEAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cn2c(C)csc2=O)cc1 7735733 OSRKJIBPCOFMBL-GFCCVEGCSA-N 319.382 2.341 0 40 DEAB O=C(Nc1cccc(-n2cnnn2)c1)c1ccc2ccccc2n1 7735083 JMSXHGLWEBFESI-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB CN(C)C1(CNc2nnnn2-c2ccccc2)CCCCC1 8063215 KTHWRAXTZMYMPL-UHFFFAOYSA-N 300.410 2.339 0 40 DEAB O=C(Nc1ccnc2ccnn12)c1cccc(NC(=O)C2CC2)c1 71888845 RBTPCRDNVPJELP-UHFFFAOYSA-N 321.340 2.330 0 40 DEAB COc1cccc(N2C[C@H](C(=O)NCc3ccccc3)CC2=O)c1 8247503 WAIKKTCIMUHQRD-OAHLLOKOSA-N 324.380 2.365 0 40 DEAB O=C(CCn1cnc2ccccc21)N1CCN2CCCC[C@@H]2C1 71839950 AYZKGMIURONOCE-OAHLLOKOSA-N 312.417 2.123 0 40 DEAB COCCn1nc(C)c(CNc2nn3cc(C)nc3s2)c1C 71830477 CMYFBBKHAOXWOC-UHFFFAOYSA-N 320.422 2.171 0 40 DEAB CC(C)CONC(=O)Nc1cccc(Cn2cccnc2=O)c1 95432583 OAHLOVZEXSXWRO-UHFFFAOYSA-N 316.361 2.001 0 40 DEAB Cc1cccn2cc(CC(=O)N3CCC[C@H]3c3cnn(C)c3)nc12 69655103 VAWRXKYRJJPAGN-INIZCTEOSA-N 323.400 2.282 0 40 DEAB Cc1cccc(CN2CCC(CN3CCN(C)CC3)CC2)c1 69971719 QTDKREOQMRQLRT-UHFFFAOYSA-N 301.478 2.454 0 40 DEAB CCc1ccc(CNC(=O)C2(N3CCOCC3)CCC2)s1 95456825 GNWHEQGVFHVJEA-UHFFFAOYSA-N 308.447 2.182 0 40 DEAB O=C(O)COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 96634891 ATUWKMVFHMVZTJ-XNTDXEJSSA-N 323.304 2.495 0 40 DEAB O=C(C[C@@H]1CCCCO1)N1CCCN(c2nccs2)CC1 87192731 ZLBUDJVYOMHEHU-ZDUSSCGKSA-N 309.435 2.141 0 40 DEAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NCc1ccc(Cl)cn1 97049617 JCEBJOAJCRQIPL-SMDDNHRTSA-N 311.813 2.428 0 40 DEAB CN(C)C(=O)N1CCN(Cc2ccccc2N2CCCC2)CC1 72296281 ZEWZLSAMXBKPAH-UHFFFAOYSA-N 316.449 2.086 0 40 DEAB O=C(NCc1ccc(Br)cc1)NC[C@@H]1CCOC1 72270172 FRHGOGPBEYUNPK-NSHDSACASA-N 313.195 2.285 0 40 DEAB C[C@H](O)c1cn(C2CN(C(=O)CC3CCC(C)(C)CC3)C2)nn1 95998064 WHXVZIFMNDXNIU-LBPRGKRZSA-N 320.437 2.321 0 40 DEAB Cc1nn(CC(=O)O[C@H](C)c2cccnc2)c(=O)c2ccccc12 95959286 VTJSWFWYCYXARV-CYBMUJFWSA-N 323.352 2.404 0 40 DEAB Cc1nnc(O)c2c(NC(=O)CN(C)[C@@H](C)C(C)C)oc(C)c12 89568153 PRYIDIJVOMJZDU-JTQLQIEISA-N 320.393 2.460 0 40 DEAB Cc1cc(CC(=O)Nc2cccc(Oc3cnccn3)c2)n[nH]1 89599173 XMWQNLIPHQPBQH-UHFFFAOYSA-N 309.329 2.482 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)CCc1nc2ccccc2s1 89937988 NIBQSKAROXXGPK-LBPRGKRZSA-N 303.431 2.391 0 40 DEAB CS(=O)(=O)NC1(c2cccc(Br)c2)CCC1 60510527 LCDDTBDLWWVRIP-UHFFFAOYSA-N 304.209 2.378 0 40 DEAB CC(C)COC[C@@H](NC(=O)CSc1ncn[nH]1)c1ccco1 69489135 FBKRQYLRFRALOJ-LLVKDONJSA-N 324.406 2.020 0 40 DEAB Cn1cncc1CC(=O)NCCn1ccc2cc(Cl)ccc21 557365186 NDYUUVRTVKCZBI-UHFFFAOYSA-N 316.792 2.387 0 40 DEAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1cccc2[nH]ccc12 32074620 BBSGGFYOXLATCS-FRRDWIJNSA-N 309.369 2.435 0 40 DEAB COC(=O)c1ccc(=O)n(Cc2cccc3c2OC(C)(C)C3)c1 521396180 SUEJVWAVVFQVGK-UHFFFAOYSA-N 313.353 2.397 0 40 DEAB O=C(NCCc1ccc(O)cc1)C(=O)Nc1cccc2[nH]ccc12 32089665 RAIGENBYHNZPNV-UHFFFAOYSA-N 323.352 2.171 0 40 DEAB C[C@H]1CN(C(=O)c2ncc3c(F)cccn23)C[C@@H](C2CC2)O1 529219827 WPHSPDUFLXILAC-HZMBPMFUSA-N 303.337 2.113 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN1C(=O)[C@H](C)N 79415523 KDZYPFLVLBSRMC-RDJZCZTQSA-N 303.450 2.235 0 40 DEAB O=S(=O)(C[C@@H]1CCCCO1)Nc1cc(F)c(F)cc1F 76937355 DMHNPWWAPNQLMI-QMMMGPOBSA-N 309.309 2.415 0 40 DEAB COc1cccc(-c2cnc(N)nc2[C@@H]2CCCN2C(C)=O)c1 72376776 OVOGREDNZVMTEV-HNNXBMFYSA-N 312.373 2.418 0 40 DEAB COc1ccccc1NC(=O)CN1CC(=O)Oc2ccccc21 31773937 SVHFAPXYBHDCIC-UHFFFAOYSA-N 312.325 2.059 0 40 DEAB CC(C)Cc1nc(COc2ccc(N(C)C(N)=O)cc2)no1 78721079 AVYPRODIKJNCFE-UHFFFAOYSA-N 304.350 2.362 0 40 DEAB CC(C)n1nccc1NC(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270666 APWVRNHMHBNPKB-ZDUSSCGKSA-N 316.409 2.005 0 40 DEAB CC(C)Oc1ccc(NC(=O)N[C@H](C)Cn2cncn2)c(F)c1 79028721 LBDMLWWLPMOSRX-LLVKDONJSA-N 321.356 2.415 0 40 DEAB CC(C)C[C@@H](C(=O)N1CCCSCC1)N1CCCCC1=O 87129802 DORQLEGWWYTTOT-AWEZNQCLSA-N 312.479 2.379 0 40 DEAB O=C(N[C@@H]1Cc2ccccc2[C@H]1O)[C@H](O)c1ccccc1Cl 195547560 WJRLRKICQPUANY-BZUAXINKSA-N 317.772 2.148 0 40 DEAB O=C(CCc1cscn1)N1CCC(Cc2ncc[nH]2)CC1 329206404 YCVNJJBMQZRIGG-UHFFFAOYSA-N 304.419 2.280 0 40 DEAB Cc1ccc(CNC(=O)N2CC[C@H](c3nccn3C)C2)nc1C 578321368 OMMFBISERPKNDE-AWEZNQCLSA-N 313.405 2.131 0 40 DEAB CO[C@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1C 96041933 FOSYHXWHPBMRBJ-XYJFISCASA-N 303.402 2.332 0 40 DEAB Cc1ccc(C(=O)NCC(C)(C)S(C)(=O)=O)cc1Cl 96451598 NABILMYWSPNTDP-UHFFFAOYSA-N 303.811 2.201 0 40 DEAB O=C(c1ccco1)N1CCC[C@@]2(C[C@H](OCC3CC3)CO2)C1 96073525 YSPPTCSYNCGISD-WMLDXEAASA-N 305.374 2.470 0 40 DEAB CC[C@H](NC(=O)CCN1C(=O)CCC1=O)c1cc(F)ccc1F 96419085 RRKJBWCKWBJUBD-ZDUSSCGKSA-N 324.327 2.071 0 40 DEAB CC[C@@H](C)c1cc(C(=O)NCCC(=O)Nc2ccncc2)on1 96423649 PNHBPJVJNJSDMM-LLVKDONJSA-N 316.361 2.342 0 40 DEAB CS(=O)(=O)N1CCCC[C@]12CCCN(Cc1ccoc1)C2 96047411 CAEZMZSDSBMZQI-OAHLLOKOSA-N 312.435 2.060 0 40 DEAB CCc1cc(CNC(=O)NCCOc2ccc(Cl)cn2)on1 96473455 TWDRWFYLTLUZDW-UHFFFAOYSA-N 324.768 2.164 0 40 DEAB Cc1cccc(NC[C@H]2CCN(CC(=O)N3CCCCC3)C2)n1 97200848 ZFGAUMXWGFCCBG-MRXNPFEDSA-N 316.449 2.136 0 40 DEAB Cc1cccc(Cl)c1NC(=O)Cn1cc(C(=O)O)ccc1=O 95470257 ACBCMQIWJWABEC-UHFFFAOYSA-N 320.732 2.147 0 40 DEAB Cc1cccc(CN2C[C@H](c3nnc(C)o3)C[C@H]3OCC[C@H]32)n1 96064964 UBKWVJZWUVHYLK-FVQBIDKESA-N 314.389 2.228 0 40 DEAB COc1nn(C)c2c1CCCN(C(=O)c1ccc(C)c(F)c1)C2 96254468 YUFKCJFRLXGTCP-UHFFFAOYSA-N 317.364 2.465 0 40 DEAB CC(=O)N1CCC[C@H]2N(C(=O)c3cccc(C)n3)CCC[C@@]21C 257278620 OCYIZUQVYCBOKS-AEFFLSMTSA-N 315.417 2.396 0 40 DEAB COC(=O)[C@@H]1CCc2nnc([C@@H](C)Oc3ccccc3F)n2C1 601044837 RWWYOKLEXZFBSH-GHMZBOCLSA-N 319.336 2.293 0 40 DEAB CO[C@H]1CN(C(=O)c2nccc3ccccc23)C[C@@]12CCCO2 257202248 ALASYMXIDOWBGO-YJBOKZPZSA-N 312.369 2.255 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)on1 257226625 FLKJZUOFFKWTKX-IIAWOOMASA-N 316.357 2.074 0 40 DEAB COCCN1CCC(Cc2cncc(-c3cc(C)n[nH]3)n2)CC1 257227126 FNUKTCNNZTYADR-UHFFFAOYSA-N 315.421 2.076 0 40 DEAB CCCn1cc(-c2cncc([C@H]3CCCN(C(C)=O)C3)n2)cn1 257278102 OAUIZHWKMPVNLE-AWEZNQCLSA-N 313.405 2.476 0 40 DEAB Cc1ccc2oc(C(=O)N[C@@H]3CCCC[C@@H](O)[C@@H]3O)cc2c1 257253071 JXLXBEUVKPZWQB-XJKCOSOUSA-N 303.358 2.135 0 40 DEAB COc1ccc(CNS(=O)(=O)c2ccc(F)s2)cc1 252480715 CDZAYTDPDUOAOL-UHFFFAOYSA-N 301.364 2.374 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 257222486 DTLVIXFZNQRGLO-LBPRGKRZSA-N 323.393 2.426 0 40 DEAB CCCCc1nc(CN2CCO[C@@H](c3cnc(C)cn3)C2)c[nH]1 257266147 MBTRHVWEFFKQBZ-MRXNPFEDSA-N 315.421 2.424 0 40 DEAB CC[C@@H](C)N1CCN(C(=O)c2ccc3c(c2)ncn3C)CC1 296975378 OWNSOSVTDKYXME-CYBMUJFWSA-N 300.406 2.130 0 40 DEAB Cc1noc(COCC(=O)N2CCCC[C@@H]2c2nccs2)n1 72285935 DIHYROILJKLTIS-LLVKDONJSA-N 322.390 2.105 0 40 DEAB CC(C)NCc1noc([C@@H]2CCC(=O)N2Cc2ccccc2)n1 1775963812 DYFFJXANUJKZLG-AWEZNQCLSA-N 314.389 2.431 0 40 DEAB biogenic,in-vitro CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CCCCNC1=O 45667772 JJWWMMZHNGBMIA-OLZOCXBDSA-N 321.446 2.436 0 40 DEAB Cc1ccsc1C(=O)N1CCN(Cc2cscn2)CC1 48926312 KPJNIBCBBGQUKH-UHFFFAOYSA-N 307.444 2.471 0 40 DEAB Cc1noc(CCNS(=O)(=O)c2ccc(C(C)C)cc2)n1 58106250 BRDVBDABWCUYIF-UHFFFAOYSA-N 309.391 2.022 0 40 DEAB CC(C)c1nnc(CNC(=O)C2CCC(F)(F)CC2)n1C 97114704 ZOWAQCVLDWPQDL-UHFFFAOYSA-N 300.353 2.380 0 40 DEAB CCCS(=O)(=O)N(C)C[C@H]1CCN(Cc2ccccc2)C1 96433523 PPZGVQPCVUDJTA-MRXNPFEDSA-N 310.463 2.180 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)/C=C/c1ccc2c(c1)OCO2 4265023 BKTUBQOFPQEDEG-VUDGCMKMSA-N 319.357 2.132 0 40 DEAB biogenic COc1ccccc1CNC(=O)CSC(=S)N1CCCC1 5288466 YUMVZZRWHKNQMV-UHFFFAOYSA-N 324.471 2.425 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)NC[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 5929549 YXLNLAMPLZWYKF-MJBXVCDLSA-N 322.430 2.419 0 40 DEAB CN1C(=O)N(C(=O)c2ccc(F)cc2F)c2cccnc2N1C 12146005 ADYRJYSDGNUZTA-UHFFFAOYSA-N 318.283 2.423 0 40 DEAB CCCNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 12787075 DMAKVKRPGQMGOG-UHFFFAOYSA-N 323.352 2.018 0 40 DEAB CC(=O)N1CCN(C(=O)C23CC4C[C@H](CC[C@@H](C4)C2)C3)CC1 101024396 KHXVJPSWTIZKFM-WMTDPASSSA-N 304.434 2.284 0 40 DEAB Cn1cncc1CCCSc1nc2ccsc2c(=O)n1C 521395196 XNONNNSBSCEZAQ-UHFFFAOYSA-N 320.443 2.453 0 40 DEAB O=C([C@H]1CCOC1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238824272 DJAUXVYDACYQHL-KBPBESRZSA-N 313.357 2.089 0 40 DEAB COc1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1 5827149 UBRISLCRQPOLTP-UHFFFAOYSA-N 303.343 2.372 0 40 DEAB Cc1nnc(SCc2ccc(Cl)cc2Cl)n(N)c1=O 2455521 JLVVWDJQLBQJHX-UHFFFAOYSA-N 317.201 2.260 0 40 DEAB O=C(/C=C/c1ccco1)N1CC[C@@H](Oc2ncc(Cl)cn2)C1 575413903 OYVRCNFWXOQULF-ITDFMYJTSA-N 319.748 2.416 0 40 DEAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1cccc2cccnc12 29865881 FWCAVOVGAAXXHV-MRXNPFEDSA-N 313.382 2.162 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@H](C(=O)O)C2)n1 50363944 RZSWOPVCZXUBLD-VIFPVBQESA-N 311.769 2.190 0 40 DEAB CC1CCC(NC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 100596112 KOTXEZMBLVINSZ-ZMYVRHLSSA-N 318.417 2.023 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccccc2OCC)C1 40539177 QGNIRYIFYPEAAG-CYBMUJFWSA-N 320.389 2.436 0 40 DEAB COc1ccccc1NC(=O)COC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101817774 ISEQPMHYYFVBRH-RWMBFGLXSA-N 301.342 2.389 0 40 DEAB O=C(O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)Nc1ccc2c(c1)OCO2 102303435 WHGLHSHSJOVYAE-AWRWRYAPSA-N 303.314 2.101 0 40 DEAB CSc1ccccc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 102774852 DYTFRJSLSYOEAV-GXSJLCMTSA-N 314.457 2.062 0 40 DEAB Cc1cc(NC(=O)NCC(=O)Nc2ccc(Cl)cc2)no1 53748743 CKMXQLTWIVUPFW-UHFFFAOYSA-N 308.725 2.397 0 40 DEAB COc1ccc2c(c1)C(=O)[C@@H]([C@@]1(O)C(=O)Nc3ccccc31)CC2 70340 SISBGYPFGBWATJ-HNAYVOBHSA-N 323.348 2.280 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H](C)N1CCC2(CC1)OCCO2 47496685 DIZYSUQVDMSXTP-SOUVJXGZSA-N 310.438 2.003 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)c1ccn(C(C)C)n1 88268424 YOQJAHDOPDXLCS-STQMWFEESA-N 307.394 2.316 0 40 DEAB O=C1CSC(=O)N1C[C@@H](O)COc1cccc2ccccc12 3169486 ZAVBRPLTLZBVCC-GFCCVEGCSA-N 317.366 2.275 0 40 DEAB CN(C)C(=O)c1nn(-c2ccc(F)cc2)c(=O)c2ccccc12 1399932 BXEFVZJLLIDOAT-UHFFFAOYSA-N 311.316 2.227 0 40 DEAB Cc1ccc(-n2cc(C(=O)NCc3cccnc3)nn2)cc1C 23127092 HRPVTHZLYYWKDP-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB O=C(NCCc1cccc(F)c1)C1CCN(C(=O)C2CC2)CC1 24320835 LPYJZXOLPRQMMH-UHFFFAOYSA-N 318.392 2.133 0 40 DEAB CC(C)Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 106577562 VKKNIVOUEHTECF-ROUUACIJSA-N 316.445 2.478 0 40 DEAB COC(=O)c1ccoc1CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 106528130 RMTZLFFIWUZRKO-XBFCOCLRSA-N 321.373 2.372 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C(N)=O)c1ccccc1 106843931 QWACPMGFXZEZFJ-NVXWUHKLSA-N 312.417 2.400 0 40 DEAB CCCc1nnc(S)n1CC(=O)Nc1cccc(COC)c1 25335343 YTUJJGXLTQCOAK-UHFFFAOYSA-N 320.418 2.304 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCO2 10890214 ZLGNFCUUDFQSMX-SFYZADRCSA-N 311.721 2.206 0 40 DEAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(OC)c(OC)c1 3264972 BNGFGVMRLGMOPC-YTXTXJHMSA-N 305.330 2.318 0 40 DEAB NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C(F)(F)F 44556237 OKSRHPKFJDNMIZ-JTQLQIEISA-N 322.352 2.207 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2 10091305 WTXMZKREEAKIRG-UHFFFAOYSA-N 315.373 2.015 0 40 DEAB CCOc1ccc2c(c1)CN(CC(=O)Nc1cc(C)no1)CC2 58179900 HFSPOQQLSMIFBB-UHFFFAOYSA-N 315.373 2.379 0 40 DEAB COCCCN(CCOC)C(=O)c1cc2c(F)cccc2[nH]1 58158207 QDZOPZJSIHIPKV-UHFFFAOYSA-N 308.353 2.432 0 40 DEAB COc1cccc(C(=O)O[C@H](C)C(=O)N2CCCCCC2)c1O 58157045 NSXLPJOVGZKJKI-GFCCVEGCSA-N 321.373 2.349 0 40 DEAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1ccc(C(F)(F)F)nc1 48289678 WYWTWOQUNMEPKA-VXGBXAGGSA-N 313.323 2.457 0 40 DEAB CC(C)c1nc2ccc(N[C@H](C)C(=O)NC(N)=O)cc2s1 58201149 OVLBZBKNWXJTIZ-MRVPVSSYSA-N 306.391 2.415 0 40 DEAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(O)c1Cl 44973354 XVYUKOBSNRUNOQ-LBPRGKRZSA-N 320.736 2.099 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(-n2cnnn2)c1 12772563 DJLDGRBIGZRKFO-LBPRGKRZSA-N 305.341 2.254 0 40 DEAB Cc1cccc(OCCOC(=O)c2n[nH]c(=O)c3ccccc23)c1 12786683 VZSJFWVGLZCQQJ-UHFFFAOYSA-N 324.336 2.467 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2nc(C)cs2)cc1 10727991 NCWXSHVYOBMXGB-UHFFFAOYSA-N 306.343 2.256 0 40 DEAB C[C@H](c1cc(F)ccc1F)N(C)C(=O)[C@@H]1CCN(C)C(=O)C1 45262356 KLTVTSIJRZHWSW-GHMZBOCLSA-N 310.344 2.353 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NC[C@H]1COc2ccccc2O1 28415474 WORIVBHRVNPVJT-OCCSQVGLSA-N 316.357 2.350 0 40 DEAB O=C(NC1CC1)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccccc2F)O1 107207163 FVTSSBWMGISGMP-ZACQAIPSSA-N 318.392 2.226 0 40 DEAB CN1C[C@@H](C(=O)N[C@H](c2ccccc2)c2cccs2)CC1=O 46165916 IHEHCDSLMDONKS-XJKSGUPXSA-N 314.410 2.432 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1ccc(N2CCCCCC2)nc1 29752826 RKYQMSIZOJVYGD-HNNXBMFYSA-N 303.406 2.371 0 40 DEAB CNC(=O)c1ccc(OCc2cnn(-c3ccccc3)n2)cc1 46876435 MMLSKYUNWHECAY-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB C[C@@H](CNS(=O)(=O)c1ccc(F)cc1)CN1CCCCC1 38110494 ZHNGJTIQOWCENQ-ZDUSSCGKSA-N 314.426 2.226 0 40 DEAB COc1cccc(CNC(=O)CNC(=O)Nc2ccccc2)c1 12995318 ZUHQFTBVXRFPAT-UHFFFAOYSA-N 313.357 2.133 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H](C(=O)O)C1 13171201 LPZMMHBEHUXQOT-ATWMFIQVSA-N 303.358 2.422 0 40 DEAB CCNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13254282 HNXWUDVVIHTKKH-UONOGXRCSA-N 316.357 2.042 0 40 DEAB COc1ccc(CNC(=O)c2cccc(F)c2)cc1C(=O)O 13392907 RQKJNEVZMCTRFV-UHFFFAOYSA-N 303.289 2.463 0 40 DEAB CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(SC)cc1 49304627 KPDGOXBPDBUPTQ-JTQLQIEISA-N 301.433 2.020 0 40 DEAB CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 6047073 CQXWCWLSLVXFIJ-UHFFFAOYSA-N 316.810 2.473 0 40 DEAB CN(CCOC[C@@H]1CCCO1)Cc1nc2ccccc2n1C 83243047 NPKOPSTYQSSTMZ-AWEZNQCLSA-N 303.406 2.201 0 40 DEAB COC(=O)CCc1c(C)nn(-c2ccc(C(=O)O)cc2)c1C 4206549 DPACGCBBUBERRP-UHFFFAOYSA-N 302.330 2.293 0 40 DEAB CC(C)(C)C(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005127 FFRUUIIEEGDCIF-AWEZNQCLSA-N 324.446 2.465 0 40 DEAB COCc1nc(C(=O)Nc2ccccc2C(=O)N(C)C)cs1 65053937 DRUAESFWIRCLEY-UHFFFAOYSA-N 319.386 2.244 0 40 DEAB Cc1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(C)C4)N2)o1 5274697 IACUPSOPQKNKNV-CYBMUJFWSA-N 303.387 2.492 0 40 DEAB CC(=O)NCCNC(=O)c1sc(-c2ccc(F)cc2)nc1C 65574883 LJYBDBGVGRDLPN-UHFFFAOYSA-N 321.377 2.124 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)N[C@H]1COc2ccccc21 84581767 QXJDTNODOYVFOH-ZFWWWQNUSA-N 310.353 2.423 0 40 DEAB Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)[C@H]2C[C@@H]2C)c1C 14637689 LYDKTHKXBTUVEL-GWCFXTLKSA-N 310.419 2.148 0 40 DEAB COc1ccc(-c2cc(C(=O)NCCc3ccncc3)n[nH]2)cc1 96125533 VKFFVYLSGKERCR-UHFFFAOYSA-N 322.368 2.453 0 40 DEAB Cc1cccnc1NC(=O)C1CCN([C@H]2CCCC[C@H]2O)CC1 95444973 COBVDERTKUVPGQ-JKSUJKDBSA-N 317.433 2.344 0 40 DEAB O=C(Cn1ccnn1)Nc1cccc2oc(C(F)(F)F)nc12 95452135 ZXNFSWKAEONBJG-UHFFFAOYSA-N 311.223 2.077 0 40 DEAB Cc1ccc([C@H]2CN(C(=O)NCc3ccn(C)c3)CCO2)o1 95437646 UEFNVLPACNVSAL-OAHLLOKOSA-N 303.362 2.210 0 40 DEAB O=C(Cc1cccc(F)c1)NCCCNC(=O)c1cccs1 69437658 RRNQOTBJXSVGNJ-UHFFFAOYSA-N 320.389 2.366 0 40 DEAB CC(C)NC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](C)CC2)C1 69508749 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DEAB COc1ccc(C(=O)C2CCN(C(=O)NC3CC3)CC2)cc1 54951186 CGMOWOFPSWLRHQ-UHFFFAOYSA-N 302.374 2.462 0 40 DEAB CO[C@H]1CC[C@H](C(=O)N2CCC(O)(c3ccccn3)CC2)CC1 100162229 MHOPLNYTWKXCKQ-GASCZTMLSA-N 318.417 2.097 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N(C)C)cc1C 10088904 QDUFSRXYGBZKKM-OAHLLOKOSA-N 322.430 2.478 0 40 DEAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 8261397 OXHWLFONBQSNAE-LBPRGKRZSA-N 304.390 2.353 0 40 DEAB Cn1ccs/c1=N\C(=O)Cc1csc(-c2ccco2)n1 102821402 RLOKJZICUDMDNE-SQFISAMPSA-N 305.384 2.473 0 40 DEAB O=C(NCCc1ccccc1F)NCc1nc(C2CC2)no1 56453386 XWPBNQDWCNCDRR-UHFFFAOYSA-N 304.325 2.128 0 40 DEAB COCCNC(=O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 48055673 ZDMBZNGYRXATPH-DOMZBBRYSA-N 306.406 2.130 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCN(C)[C@@H](C)[C@H]2C)cc1Cl 108157975 URCZZRJGRLVZQI-NWDGAFQWSA-N 316.854 2.362 0 40 DEAB Cc1cccc(C(=O)OCC(=O)NCc2cccs2)c1O 3294462 PELIWLVRMBKORN-UHFFFAOYSA-N 305.355 2.235 0 40 DEAB CC(C)[C@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccs1 26907968 IKXZJDBUOFBICC-LBPRGKRZSA-N 309.435 2.365 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2cnc3ccccc3n2)cc1 12683306 DGJSSBVETBHGES-UHFFFAOYSA-N 321.336 2.346 0 40 DEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(OC)nc1 48248831 GYXBFLAJNWGNTO-UHFFFAOYSA-N 314.341 2.481 0 40 DEAB O=C(/C=C/c1cnccn1)NC[C@H]1CCN(c2ccccc2)C1 58128014 VGDFVIWLLQISDX-LQYUOIDQSA-N 308.385 2.133 0 40 DEAB Cc1csc(CNC(=O)Cc2ccc3c(c2)OCCO3)n1 44894614 SHBMOCKOKVTVKH-UHFFFAOYSA-N 304.371 2.082 0 40 DEAB COc1ccc(COC[C@@H](O)CNC(=O)C2CCCCC2)cc1 58266214 ZOEIXHYONJVPCH-INIZCTEOSA-N 321.417 2.269 0 40 DEAB CC[C@H](NC(=O)NCCc1nc(C)c(C)s1)c1noc(C)n1 95418671 GJTZCQCUBOMDMW-NSHDSACASA-N 323.422 2.444 0 40 DEAB COC[C@@H](C)NC(=O)CCNc1cc(Cl)ccc1OC 58292817 GIJRZWIMDZCLOV-SNVBAGLBSA-N 300.786 2.302 0 40 DEAB CC(C)Oc1cccc([C@@H](O)CNC(=O)CN2CCC[C@H]2C)c1 95417418 LFFDYEAXAHIVTP-PBHICJAKSA-N 320.433 2.108 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)[C@H]1CCCO1 44955599 CKYNMTAGYUGGNM-GXTWGEPZSA-N 307.394 2.236 0 40 DEAB CCOc1ccc2nc(C)cc(SC[C@H](N)C(=O)O)c2c1 2117712 ZPNSIUCEQFXEEY-LBPRGKRZSA-N 306.387 2.446 0 40 DEAB biogenic CCCCNC(=O)Cn1c(SC)nc2ccsc2c1=O 57504792 OWVPVUAZJATGAA-UHFFFAOYSA-N 311.432 2.096 0 40 DEAB Fc1ccc2c(CCNC[C@@H]3CNc4ccnn4C3)c[nH]c2c1 58341314 ARKQGEXAHPXIKY-GFCCVEGCSA-N 313.380 2.378 0 40 DEAB CCN(C)c1ccc(C(=O)NC2CCN(C(=O)OC)CC2)cc1 58313931 SGTCYCXHEKOHTP-UHFFFAOYSA-N 319.405 2.103 0 40 DEAB CCOCCO[C@@H](C)C(=O)NCc1cc(-c2ccccc2)no1 58330904 LLNUZJYGSLASKO-ZDUSSCGKSA-N 318.373 2.399 0 40 DEAB CCCC(=O)N[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2)C1 58313962 QLFZEOVMNKGNIH-HUUCEWRRSA-N 318.417 2.361 0 40 DEAB CCOC(=O)Cn1c(C)c(CC)c(=O)n2c3ccccc3nc12 20798354 GAHRJCHYMNGLQM-UHFFFAOYSA-N 313.357 2.083 0 40 DEAB COc1c(CNC[C@H]2CCN(c3ccccc3)C2)c(C)nn1C 58421072 MZBDMRNRNVAPQU-OAHLLOKOSA-N 314.433 2.353 0 40 DEAB C[C@H](NC(=O)CCC1CCCC1)c1cccc(S(N)(=O)=O)c1 48310485 SZLPGRJNGGNJKM-LBPRGKRZSA-N 324.446 2.482 0 40 DEAB COC(=O)CSc1ncnc2c1cnn2Cc1ccccc1 2442659 RZMXDEOGIGKOAL-UHFFFAOYSA-N 314.370 2.140 0 40 DEAB C[C@H](CNC(=O)c1cccc(-n2cnnn2)c1)c1ccccc1 36735569 TYUVQSSBIKHVML-CYBMUJFWSA-N 307.357 2.196 0 40 DEAB CCOC(=O)Nc1ccc(C(=O)/N=c2/sccn2C)cc1 29763062 YABFPHFPEZBXGS-DTQAZKPQSA-N 305.359 2.396 0 40 DEAB C[C@@H](CC(=O)N1CCCSCC1)NC(=O)c1ccccc1 60834014 WQJRZJSINQOJGN-ZDUSSCGKSA-N 306.431 2.161 0 40 DEAB Cn1nnnc1SCC(=O)Nc1ccccc1C(C)(C)C 3513085 ZMHJMFJQVJBPQV-UHFFFAOYSA-N 305.407 2.238 0 40 DEAB Cc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1 12908899 SHIUOBBDVDRGAT-UHFFFAOYSA-N 304.371 2.354 0 40 DEAB C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CCC2)c1cccnc1 49021830 NCTWZSOKUKFWNB-LBPRGKRZSA-N 309.369 2.386 0 40 DEAB CO[C@H](C)CCOC(=O)[C@H]1CCn2c(cnc2C(F)(F)F)C1 96013441 LPQVZGRTZZWDFG-ZJUUUORDSA-N 320.311 2.433 0 40 DEAB Cc1ccc(NC(=O)NC(=O)COC(=O)c2ccco2)c(C)c1 5080129 RNXIYAKILOCRQF-UHFFFAOYSA-N 316.313 2.402 0 40 DEAB COC(=O)Cc1cc(=O)[nH]c(SCc2cccc(Cl)c2)n1 5116979 PDPFENXOEOLION-UHFFFAOYSA-N 324.789 2.431 0 40 DEAB CCc1nnc2sc(Cc3ccc(OC)c(OC)c3)nn12 4487562 VPHRTAMTQYNFET-UHFFFAOYSA-N 304.375 2.356 0 40 DEAB CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 6617718 XMCNQQKWSISJHP-LLVKDONJSA-N 303.362 2.033 0 40 DEAB Cc1n[nH]c(SCCCCN2C(=O)c3ccccc3C2=O)n1 14803064 XYQUVQQFXRQVBQ-UHFFFAOYSA-N 316.386 2.282 0 40 DEAB Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1 4942433 HLJUYCGBPLKOOW-UHFFFAOYSA-N 318.398 2.302 0 40 DEAB O=C(NS(=O)(=O)c1cccc2cnccc12)c1cccs1 69594400 FIIPPRYQOSXDMQ-UHFFFAOYSA-N 318.379 2.415 0 40 DEAB CCNC(=O)N1CC[C@@H](N[C@@H]2CCCOc3ccc(F)cc32)C1 90411114 QNMIHQPZCYSEJP-UKRRQHHQSA-N 321.396 2.433 0 40 DEAB C[C@H](OC(=O)c1cc(-c2ccccn2)nc2ccccc12)C(N)=O 9550216 DPUPZCVIFJRNRJ-NSHDSACASA-N 321.336 2.327 0 40 DEAB Cc1ccc(S(=O)(=O)Cc2nnc(C3CC3)n2C)cc1C 90988902 NFBYXXCQQMVPJW-UHFFFAOYSA-N 305.403 2.283 0 40 DEAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 8191724 CTLJXGRJUZAICD-VIFPVBQESA-N 317.418 2.323 0 40 DEAB CN(CCNS(=O)(=O)c1ccc2ccccc2c1)C1CC1 83860947 OXQNLWPIRVVVCB-UHFFFAOYSA-N 304.415 2.212 0 40 DEAB O=C(COCC1CC1)N[C@@H]1CCCN(c2cccc(F)c2)C1 71909334 KJUHUGXNQBEPIJ-OAHLLOKOSA-N 306.381 2.337 0 40 DEAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(C2CCCCC2)CC1 17055388 VSTZDMISMFWZQO-HOTGVXAUSA-N 320.433 2.130 0 40 DEAB Cn1c(CN2CCCC[C@H]2Cn2cncn2)nc2ccccc21 69493032 IZJLWEYLXKZTTI-AWEZNQCLSA-N 310.405 2.220 0 40 DEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)NCc1ccccc1 17115477 GXXPKYQQCFLWHQ-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C)NC(=O)CC2CCCCC2)cn1 69559460 NCXDKKZNTWFGAY-AWEZNQCLSA-N 317.433 2.481 0 40 DEAB Cc1cc(NC(=O)N(C)C[C@@H](O)COCc2ccccc2)on1 69533291 GQXVSQQYPCKJAB-CQSZACIVSA-N 319.361 2.024 0 40 DEAB O=C(c1cc(Br)c[nH]1)N1CCC[C@@H]1Cn1cccn1 69871401 MUWKHUIGJZSFMV-LLVKDONJSA-N 323.194 2.279 0 40 DEAB C[C@H](O)[C@H]1CCN(C(=O)NCCOc2ccccc2Cl)C1 97108065 OQHGLGMIMTUXIK-RYUDHWBXSA-N 312.797 2.131 0 40 DEAB CC1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 97108157 PZNYVGCALSKKJT-HNNXBMFYSA-N 316.405 2.019 0 40 DEAB OCCn1ncc2c(N[C@@H]3CCCc4ccccc43)ncnc21 97199971 GIOCEWSNOKRTBD-OAHLLOKOSA-N 309.373 2.308 0 40 DEAB CN(C)S(=O)(=O)N1CCCCC[C@@H]1CC(=O)c1ccccc1 97161765 NVGDYXKEAXBDJW-OAHLLOKOSA-N 324.446 2.310 0 40 DEAB Cc1cnn(-c2ccc([C@@H](C)NC(=O)[C@H]3CCCN3)cc2F)c1 72500781 GQMRLCPXUISRCN-IUODEOHRSA-N 316.380 2.249 0 40 DEAB CO[C@@H]1CCCN(C(=O)[C@@H](CC(C)C)N2CCCCC2=O)C1 95410131 UMQPZQHYBNGTNN-HUUCEWRRSA-N 310.438 2.051 0 40 DEAB COCCOc1ncccc1NC(=O)[C@H]1CC1(Cl)Cl 95947009 DCSYGKRFZRMORB-MRVPVSSYSA-N 305.161 2.239 0 40 DEAB O=C(NS(=O)(=O)Cc1ccc(F)cc1F)C1CCCC1 95980248 BFXPBFRTAPKFHJ-UHFFFAOYSA-N 303.330 2.101 0 40 DEAB C[C@H](CO)N(C)C(=O)NC1CCN(CC2CCCCC2)CC1 95982089 AWXDAMCDCLFBDT-CQSZACIVSA-N 311.470 2.053 0 40 DEAB COc1ccc([C@H]2[C@H](N)C(=O)N2Cc2ccccc2)cc1OC 72228123 KYZGDAIIXDYSLI-IRXDYDNUSA-N 312.369 2.115 0 40 DEAB O=C(NCc1nnc2n1CCC2)[C@@H]1C[C@@H]1c1cccc(Cl)c1 89774596 UMADCLJFXVKPFA-CHWSQXEVSA-N 316.792 2.298 0 40 DEAB O=C(CN(Cc1ccco1)C1CCCC1)N[C@H]1CCSC1=O 89797658 QQPTYVUZAHOPPQ-AWEZNQCLSA-N 322.430 2.173 0 40 DEAB O=C(C1CC1)N1CCC[C@@H](C(=O)N2C[C@H]3CCCC[C@H]3C2)C1 89818810 ATYPPTJMZSYBIK-OWCLPIDISA-N 304.434 2.284 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cccc(C)c1)CC2 89986461 ZKSYEXKXVCHUPP-HOTGVXAUSA-N 303.402 2.387 0 40 DEAB CCC[C@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1nnn[nH]1 89949645 HKJQVADGEXGHDE-ZDUSSCGKSA-N 302.382 2.224 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2COc3ccccc3C2)no1 76043055 SZIYKEVMWBMQCV-KBPBESRZSA-N 313.357 2.293 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3c(cc2=O)C[C@@H](C)CC3)cc1 21110360 ZYVHBLNHHDFRRJ-ZDUSSCGKSA-N 311.385 2.315 0 40 DEAB O[C@@H]1CN(c2ccnc(C3CCC3)n2)C[C@H]1Oc1ccccc1 1550636363 KYPCKMVQIHTCQR-HZPDHXFCSA-N 311.385 2.373 0 40 DEAB CCOc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C)C3)C2=O)cc1 33310896 RYXOJVLTKNOQBB-BBRMVZONSA-N 316.401 2.449 0 40 DEAB Cc1cn2c(CNc3ncnc4c3cnn4C)c(C)nc2s1 521398452 HMEURHLNKOKHRZ-UHFFFAOYSA-N 313.390 2.301 0 40 DEAB Cc1sc(-c2ccco2)nc1C(=O)NCC(=O)N1CCCC1 32772402 HJKJTFKLUZMOFS-UHFFFAOYSA-N 319.386 2.064 0 40 DEAB CC(C)(C)OC(=O)N(C[C@@H]1CCCCN1CC(=O)O)C1CC1 79410789 FTBOQCJVXIRPGU-ZDUSSCGKSA-N 312.410 2.325 0 40 DEAB COC(=O)c1ccn2cc(I)cc2c1O 217657255 NRHZBJUHGKIZNI-UHFFFAOYSA-N 317.082 2.036 0 40 DEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CC[C@H](CN(C)C)C1 129678080 NTINXDJBAPXIJE-ZIAGYGMSSA-N 323.412 2.186 0 40 DEAB CCSCCOC(=O)c1ccc(-n2cnnn2)cc1Cl 78445801 PFGIWMNWYGYWCO-UHFFFAOYSA-N 312.782 2.226 0 40 DEAB CC1(C)[C@@H](C(=O)Nc2cccc(N3CCCC3=O)c2)[C@H]1C(=O)O 71279649 MCGLCJLHSMOCQN-KGLIPLIRSA-N 316.357 2.109 0 40 DEAB O=C(COc1ccccc1F)N1CCC2(CC1)OCCS2 70637237 YVYCFNSSXCJBBU-UHFFFAOYSA-N 311.378 2.287 0 40 DEAB Cc1nc(C(=O)OCC(=O)NC2CCCCC2)c2ccccn12 78113546 YAFAMZKXKWYWEB-UHFFFAOYSA-N 315.373 2.248 0 40 DEAB CC(C)N(C(=O)CN)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79391131 XCNCNHFCRIYMRE-CHWSQXEVSA-N 313.442 2.018 0 40 DEAB Cc1cc(C)n(CC2CCN(C(=O)[C@H]3CCC[C@@H](N)C3)CC2)n1 195560501 IVJXFXAKSABSMJ-DLBZAZTESA-N 318.465 2.256 0 40 DEAB CCO[C@@H]1C[C@](O)(CNC(=O)[C@@H](C)c2ccccc2)C1(C)C 225613278 JWPCKQCXJPZROE-JOQOYGCGSA-N 305.418 2.472 0 40 DEAB C[C@@H](CCc1ccccc1F)C(=O)N(C)[C@@H]1CCN(C)C1=O 80399617 ZDVJWYCQJDPYPX-SWLSCSKDSA-N 306.381 2.084 0 40 DEAB CSCCCn1nc(C)c(S(=O)(=O)NC(C)(C)C)c1C 96428819 FWRGBOMTZXRCIB-UHFFFAOYSA-N 319.496 2.330 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C 96044610 XHYLOPXNZPAEIU-ZDUSSCGKSA-N 317.389 2.406 0 40 DEAB C[C@@H](CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C)Cn1cccn1 96496821 HFEPNSGMWIMPTB-QWHCGFSZSA-N 308.426 2.165 0 40 DEAB O=C1N(c2cccnc2)CC[C@]12CCCN(C1CCOCC1)C2 96224518 FCGVXYMNZHVDFK-SFHVURJKSA-N 315.417 2.080 0 40 DEAB O=C(c1ccno1)N1CCO[C@]2(CCC[C@@H]2COCC2CC2)C1 96160901 NYFUITLWHDBHPB-RHSMWYFYSA-N 320.389 2.113 0 40 DEAB CN(C)C(=O)COC[C@@]12CCC[C@@H]1CN(Cc1cccs1)C2 96109160 WBQIDQQUBTXGFB-PBHICJAKSA-N 322.474 2.455 0 40 DEAB CCOC[C@H]1CN(C(=O)NC2CCCC2)Cc2nccn2C1 96187822 MFXIRLPUBIFSBQ-CYBMUJFWSA-N 306.410 2.004 0 40 DEAB CCOC(=O)c1nn(CC(C)(C)C)c(N)c1Br 95094679 YRBVEFCVVNECHK-UHFFFAOYSA-N 304.188 2.451 0 40 DEAB CCc1cnccc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97377713 FJGPSRASDWLPHL-UHFFFAOYSA-N 311.389 2.378 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1n[nH]c2c1CCc1ccccc1-2 95473617 GBBFLXAHVHNMGS-AWEZNQCLSA-N 324.428 2.389 0 40 DEAB CN(C[C@@H]1CCC[C@H]1O)C(=O)NCCc1nc(C2CC2)cs1 95438127 SUESKGQZIVOVLP-GXTWGEPZSA-N 323.462 2.365 0 40 DEAB Cc1cnccc1NC(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 96489260 NKDDEQSHEKQKST-KBPBESRZSA-N 306.410 2.011 0 40 DEAB Cc1cncc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 257215039 COJXLJOUEBVHTL-INIZCTEOSA-N 317.414 2.452 0 40 DEAB CCCC[C@H]1Oc2ccc(S(=O)(=O)NC3CC3)cc2NC1=O 252498129 QUILMMVIQPGWDX-CQSZACIVSA-N 324.402 2.017 0 40 DEAB c1ccc(CO[C@@H]2CN(Cc3ccco3)Cc3ccnn3C2)nc1 253588668 NKBDBPDKVQUPML-GOSISDBHSA-N 324.384 2.472 0 40 DEAB N=C1O[C@@H]2CSC[C@@H]2N1C(=O)Cc1c(F)cccc1Cl 257333250 YAVJKYITSFGJSS-WDEREUQCSA-N 314.769 2.299 0 40 DEAB Cc1cc2cc(C(=O)N3C[C@@H](O)[C@H](N4CCCC4)C3)ccc2o1 257331038 XRDOTAIJYJGZIU-HZPDHXFCSA-N 314.385 2.022 0 40 DEAB O=C(CC1CCCC1)N1CCOC[C@H]1CCc1cnccn1 257343318 ZSJXNXMMPQIDAZ-MRXNPFEDSA-N 303.406 2.217 0 40 DEAB Cc1ccnc([C@@H]2CN(C(=O)CCc3cccs3)CCO2)n1 257260067 LBETVKRBKAEQEZ-AWEZNQCLSA-N 317.414 2.379 0 40 DEAB CCc1ccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3O)cc1 257324491 WOWVDDGZRFEUOH-INIZCTEOSA-N 303.402 2.395 0 40 DEAB C[C@H]1c2ncc(CCOCC3CC3)n2CCN1Cc1cn[nH]c1 585097958 PTFBXNGRMCAXTN-ZDUSSCGKSA-N 315.421 2.152 0 40 DEAB CCC(CC)CN1CCC[C@@]2(C1)CN(c1ncccn1)C2=O 585099433 JANPQJYKCVZZII-QGZVFWFLSA-N 302.422 2.342 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)NCC2(N(C)C)CCCC2)c1 45744221 FSWOFRJNCFGKGE-UHFFFAOYSA-N 314.426 2.287 0 40 DEAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cncc(Br)c1 46995744 IHJSOCJGOCQQFX-CHWSQXEVSA-N 324.222 2.201 0 40 DEAB COCCn1cc(C(=O)NC[C@@H]2CCCN2C)c2ccccc21 58341206 CFQKGKNTUMNSGH-AWEZNQCLSA-N 315.417 2.112 0 40 DEAB CO[C@H]1CCCC[C@@H]1OC(=O)C1CCN(C(=O)C2CC2)CC1 83897711 UGRCCTOJLJLCRP-GJZGRUSLSA-N 309.406 2.136 0 40 DEAB COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=N)c(O)c1 16215386 MHYYTNQCVPLYNG-BLURPULPSA-N 319.386 2.154 0 40 DEAB CCc1cccc(C)c1N1C(=N)S[C@H]2CS(=O)(=O)C[C@@H]21 16741208 NSRKZZXYNPJBJW-RYUDHWBXSA-N 310.444 2.211 0 40 DEAB CC(C)CCOc1ccc([C@H](C)NC(=O)[C@H]2COCCN2)cc1 154289293 NLJKMTINSFIVQU-WMLDXEAASA-N 320.433 2.277 0 40 DEAB C[C@@H](Oc1cccnc1)C(=O)N[C@](C)(CO)C1CCCCC1 157941833 ABMPNGSVTMYNLJ-CXAGYDPISA-N 306.406 2.296 0 40 DEAB C[C@H](N)C(=O)N(Cc1csc(Br)c1)C1CC1 157956302 RIQLGPCLPHFBME-ZETCQYMHSA-N 303.225 2.349 0 40 DEAB O[C@]1(COc2ccc(F)cc2)CCN(Cc2cscn2)C1 643913864 JSYUGUWZKRCSGP-OAHLLOKOSA-N 308.378 2.298 0 40 DEAB CCCCCN1CC2=C(C1=O)[C@H](c1cccc(F)c1)NC(=O)N2 8755478 YVMBESTVPGDRTL-HNNXBMFYSA-N 317.364 2.466 0 40 DEAB O=C(c1cc[nH]n1)N1C[C@H]2CC[C@H]1c1cnc(NCC3CC3)nc12 1565551014 LGMFSEJLDMAJHA-RISCZKNCSA-N 324.388 2.096 0 40 DEAB COc1cccc(C(=O)NCCn2cc(-c3ccncc3)cn2)c1 585148409 CGWRACVFJQEQTN-UHFFFAOYSA-N 322.368 2.384 0 40 DEAB CCOC(=O)[C@H]1C[C@H](C(=O)OCC)c2nc3ccccc3nc21 1747882 PENXEOMZUBNSPZ-QWRGUYRKSA-N 314.341 2.327 0 40 DEAB CCOC(=O)Cn1/c(=N/C(=O)C2CC2)sc2ccccc21 100877260 NZBPFNSMWSJHHO-NXVVXOECSA-N 304.371 2.103 0 40 DEAB CCc1cc2c(=O)n(CC(=O)NC3CCCC3)c(C)nc2s1 20158402 RIOJHFXKKHSIHE-UHFFFAOYSA-N 319.430 2.388 0 40 DEAB COc1cc(C(=O)N[C@@H](C)Cn2cccn2)cc(Cl)c1OC 31388754 OMRWEXAOFTUBRQ-JTQLQIEISA-N 323.780 2.372 0 40 DEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cccnc2)c1 40457643 CXHLRMYFHXKTSO-UHFFFAOYSA-N 324.789 2.069 0 40 DEAB CC1CCC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1 32671896 CMYGDAXJGWHZLH-WFBLGPOFSA-N 306.328 2.138 0 40 DEAB O=C(O)[C@@H]1[C@@H](C(=O)NCc2ccccc2Cl)[C@H]2C=C[C@H]1C2 102232265 CJKQKRPASNUABV-NUZBWSBOSA-N 305.761 2.479 0 40 DEAB COC(=O)[C@H](C)Sc1nc2ccccc2c2nc(C)nn12 32871493 RSOWTLIBXMBFCO-QMMMGPOBSA-N 302.359 2.240 0 40 DEAB O=C(NCC1CC1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 32909782 GVQMMJXNHUURCO-MRXNPFEDSA-N 324.380 2.373 0 40 DEAB C[C@@H](NC(=O)CCCNC(=O)C1CC1)c1ccc(F)c(F)c1 32914107 BMXVYHBYXRLACL-SNVBAGLBSA-N 310.344 2.448 0 40 DEAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1OC 132734 RPDYYRABHYQMMY-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB COc1ccc(Nc2nc(Cl)nc(N3CCOCC3)n2)cc1 792481 IXOXYXHVRHVBRU-UHFFFAOYSA-N 321.768 2.114 0 40 DEAB CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NC3CC3)ccc2NC1=O 78950685 XXZWGYQLZHCMKM-RNCFNFMXSA-N 303.362 2.319 0 40 DEAB CCOC(=O)Nc1cc(Cl)c(N)c(NC(=O)OCC)n1 1678462 VLIDTZZESMLMMJ-UHFFFAOYSA-N 302.718 2.454 0 40 DEAB CNCc1cccc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1 4277324 VYJXRUKUWZBKEL-UHFFFAOYSA-N 319.449 2.459 0 40 DEAB Cc1ccc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)cc1C 4362070 AZUKBAFZWXWJFJ-HRCADAONSA-N 315.417 2.031 0 40 DEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(F)c1 6408678 YYWGWDHOQFTBMX-NSHDSACASA-N 322.361 2.131 0 40 DEAB CCC[C@@H](C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O 6944945 VNPMATUBCQFCEV-CYBMUJFWSA-N 312.435 2.066 0 40 DEAB CCCCn1nnnc1NCc1ccc(OCC)c(OC)c1 7262141 OXCBXEZOGSJQDW-UHFFFAOYSA-N 305.382 2.493 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2S(=O)(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]12 100366979 ZBFAHGPVNZFJMD-PCRNDMCGSA-N 304.411 2.146 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C)CC2)c1 25220801 LYXVAJFCVPAQBT-GDBMZVCRSA-N 300.402 2.244 0 40 DEAB NC(=O)c1ccccc1NCc1nc(Cc2ccccc2)no1 55828364 HKDKEQPBOHDAMJ-UHFFFAOYSA-N 308.341 2.371 0 40 DEAB Cc1nccc(CNC(=O)COc2ccc(F)cc2Cl)n1 55838259 OLTGDQBHRVIEQD-UHFFFAOYSA-N 309.728 2.273 0 40 DEAB Cc1ccc2cc(C(=O)N[C@H]3CCCCNC3=O)c(C)nc2c1 56977238 CTWBHNOSXDIQSD-HNNXBMFYSA-N 311.385 2.250 0 40 DEAB O=C(/C=C/c1nnc2c3ccccc3cnn12)NCc1ccco1 9647077 NAGBRULZYZKIHZ-BQYQJAHWSA-N 319.324 2.200 0 40 DEAB CCCc1cc(=O)[nH]c(N2CCN(c3ccccc3F)CC2)n1 22449012 ACINFYICVDEPRR-UHFFFAOYSA-N 316.380 2.188 0 40 DEAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(O)c(Cl)c2)N1 58243975 WVVOXPHMJINVKK-ZDUSSCGKSA-N 313.748 2.492 0 40 DEAB COc1ccccc1S[C@@H](C)c1nc(N)nc(N(C)C)n1 58246283 YWSKCZQNZQCBFT-VIFPVBQESA-N 305.407 2.382 0 40 DEAB O=C(CCn1cccn1)NC[C@H](c1cccs1)N1CCCC1 44916994 SLVQXMVGFTUUHR-CQSZACIVSA-N 318.446 2.288 0 40 DEAB O=C(COc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1 27935585 OLYGQLGAQGTIDS-GFCCVEGCSA-N 303.280 2.379 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1nnc([C@H]2CCCO2)s1 36357604 RZBRSLDYGKTLOQ-SNVBAGLBSA-N 308.363 2.176 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1ccc(Br)cn1 71280141 FEOIIGRMOBHIIJ-RKDXNWHRSA-N 313.151 2.139 0 40 DEAB CN(Cc1ccccc1)C(=O)Cn1c(-c2ccccc2)noc1=O 60107182 MCEHEWJVHLGIBO-UHFFFAOYSA-N 323.352 2.162 0 40 DEAB Cc1ncsc1C(=O)N[C@H](C)c1ccc2c(c1)NC(=O)CO2 46578936 VTQHMYLEKGDRMB-MRVPVSSYSA-N 317.370 2.273 0 40 DEAB Cc1nnc2n1C[C@@H](NC(=O)C1(c3ccccc3)CCC1)CC2 62640126 DOIPAHLQVHKMPX-HNNXBMFYSA-N 310.401 2.139 0 40 DEAB CC(C)(O)CCN1CCO[C@@H](c2noc(-c3ccccc3)n2)C1 96000273 GXTRSGFXTGPPOE-CQSZACIVSA-N 317.389 2.271 0 40 DEAB Cc1cccc(SCC(=O)NC(=O)NCC(F)(F)F)c1 49373040 LTBMQCIFIWXDEI-UHFFFAOYSA-N 306.309 2.475 0 40 DEAB CN(C)c1nc(CNC(=O)CCc2ccc(O)cc2)cs1 97376851 HAOZFHWFPYSEON-UHFFFAOYSA-N 305.403 2.164 0 40 DEAB COc1ccc(CNC(=O)C(=O)Nc2ccc3[nH]ccc3c2)cc1 13627674 KRSLDUQJQLDYSV-UHFFFAOYSA-N 323.352 2.431 0 40 DEAB O=C(Nc1ccc(N2CCCS2(=O)=O)cc1)c1ccccc1 5314787 NTJILZKKUPQXNH-UHFFFAOYSA-N 316.382 2.479 0 40 DEAB CCSCCC(=O)NCCC(=O)N(C)Cc1ccccc1 65623600 MHYVQOKCTPWBGQ-UHFFFAOYSA-N 308.447 2.295 0 40 DEAB CC[C@H](CNC(=O)c1cc(C)n(C)n1)Oc1cccc(F)c1 84561166 OMPABAAZQAAZHC-CYBMUJFWSA-N 305.353 2.455 0 40 DEAB NC(=O)C1CCN(Cc2cc(F)cc(Br)c2)CC1 93938596 KAWHJEYNUXFDKA-UHFFFAOYSA-N 315.186 2.286 0 40 DEAB CCc1ccccc1CNC(=O)CS(=O)(=O)C1CCCC1 96418799 MNCKKFQSIBGXRB-UHFFFAOYSA-N 309.431 2.223 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cc(F)cc(F)c1)c1cccnc1 96495852 FTPGSAIDAAXRIG-ZDUSSCGKSA-N 306.268 2.004 0 40 DEAB COC(=O)[C@@H](CCSC)NC(=O)N[C@@H](C)c1ccccc1 26771674 HTPMWHOCBCQXOD-WCQYABFASA-N 310.419 2.342 0 40 DEAB CSCCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 7716205 KICSWVGXYDHBLJ-UHFFFAOYSA-N 307.824 2.435 0 40 DEAB Cc1nn2cccnc2c1C(=O)N[C@H]1CCN(c2ccccc2)C1 71882844 JBPXYMGKEKLGQG-AWEZNQCLSA-N 321.384 2.046 0 40 DEAB O=C1[C@H](SCc2nnnn2C2CC2)CCN1c1ccccc1 68952404 PKQCSVCOEBLBBS-CYBMUJFWSA-N 315.402 2.047 0 40 DEAB NC(=O)[C@@H]1CCCN1Cc1cc(F)ccc1Br 69518363 KXPIOVYNPMCFTR-NSHDSACASA-N 301.159 2.038 0 40 DEAB CC(C)(C)c1ncsc1C(=O)N1CCCC2(C1)OCCO2 95443534 BGAQDXUYMBUWMX-UHFFFAOYSA-N 310.419 2.420 0 40 DEAB O=C(N[C@@H]1CCc2ccccc21)N1CCC(n2cncn2)CC1 69875998 JKGBKLLCNKGSMU-MRXNPFEDSA-N 311.389 2.312 0 40 DEAB O=C1C[C@@H]([C@@H]2CCCCN2c2ncnc3sccc23)CN1 95449525 IDGXZYCPEAZRIG-PWSUYJOCSA-N 302.403 2.186 0 40 DEAB C[C@H](CC(=O)N1C[C@@H](CO)OC[C@H]1C)c1ccc(F)cc1F 95450101 SZQDTBOUOKUBED-WZRBSPASSA-N 313.344 2.067 0 40 DEAB Cc1cc([C@H]2CCCN(Cc3nnc(C4CC4)n3C)C2)[nH]n1 84111429 XBIMOYUSKBAYLK-ZDUSSCGKSA-N 300.410 2.104 0 40 DEAB CNC1CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)CC1 97019650 ICHGKCXEQBBLAI-UHFFFAOYSA-N 302.353 2.040 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2cc(C)no2)c(C)nn1C 72234312 AGCPCZUGFPWKEP-NSHDSACASA-N 304.350 2.011 0 40 DEAB O=C(COC[C@H]1CCCO1)N1CCC[C@H](c2nccs2)C1 72282061 GXEMVCXOKZUAMS-QWHCGFSZSA-N 310.419 2.045 0 40 DEAB COC(=O)C1(C(=O)NC[C@@H]2C[C@@]23CCCc2ccccc23)CC1 97146556 HDOLQEUTTRXRKI-LIRRHRJNSA-N 313.397 2.350 0 40 DEAB CC(C)OCCNC(=O)NC[C@@H]1CCN(C)c2ccccc21 97109842 XKELXMIEEKMFCD-AWEZNQCLSA-N 305.422 2.334 0 40 DEAB NC(=O)Nc1cccc(C(=O)NCCCCCCCC(=O)O)c1 95991956 JXXBCXDTVQLJKF-UHFFFAOYSA-N 321.377 2.332 0 40 DEAB Cc1ccc(Cn2nc3n(c2=O)C(=O)N(c2ccccc2)C3)cc1 1547201292 XGJOFRPUVUCLBB-UHFFFAOYSA-N 320.352 2.390 0 40 DEAB Cc1ccc(CNC(=O)CN(C)[C@H]2CCSC2)c(N(C)C)c1 95979047 KWZVAZSYTKDMCZ-HNNXBMFYSA-N 321.490 2.115 0 40 DEAB COc1cc(NC(=O)COc2c(C)nn(C)c2C)cc(OC)c1 89512249 UKQLZAFQXMBGTH-UHFFFAOYSA-N 319.361 2.072 0 40 DEAB O=C(c1ccco1)N1CCN(c2ncc(Cl)cc2F)CC1 75105887 XGMIVARMLNXKNE-UHFFFAOYSA-N 309.728 2.430 0 40 DEAB O=S(=O)(c1cccnc1)N(Cc1ccco1)c1ccccn1 89883799 ZZHNRAILMCYLLE-UHFFFAOYSA-N 315.354 2.465 0 40 DEAB CO[C@H]1CCC[C@@H](OC(=O)c2cnn(C)c2-n2cccc2)C1 75582923 BLMLLUJFWSNBEH-QWHCGFSZSA-N 303.362 2.325 0 40 DEAB CC(C)CCOC(=O)Cc1c(O)n(C)c2ccccc2c1=O 1321727 VVWMFBIATSGCQJ-UHFFFAOYSA-N 303.358 2.376 0 40 DEAB biogenic CC(C)NC(=O)N1CCc2c(COCC3CC3)cncc2C1 306136163 PLDRRKPRIQBQBW-UHFFFAOYSA-N 303.406 2.484 0 40 DEAB CC(C)N(C(=O)[C@H](C)N)[C@H]1CCCN(Cc2ccccc2)C1 79404511 VHTNRLHRFKFGFR-RDJZCZTQSA-N 303.450 2.235 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)NC[C@]3(C)CCCO3)cn2)n1 123091232 NWNFEHINFDJZEH-KRWDZBQOSA-N 314.389 2.183 0 40 DEAB COc1ccsc1C(=O)N(CCN(C)C)Cc1ccccn1 79352500 UNFFHKQVMSYVQQ-UHFFFAOYSA-N 319.430 2.356 0 40 DEAB CCOC(=O)CCN(C)C(=O)c1ccc2nc(Cl)n(C)c2c1 222546616 XQPRLPWVJLYPJX-UHFFFAOYSA-N 323.780 2.252 0 40 DEAB COc1cc([C@H](C)NC(=O)N2CC[C@@H](CN(C)C)C2)ccc1F 130497661 PNAXYKMLWPGBTD-STQMWFEESA-N 323.412 2.488 0 40 DEAB CC(C)(C)OC(=O)COc1cc(C(=O)O)n(-c2ccccc2)n1 225648772 UQFUXXLHAQCGKK-UHFFFAOYSA-N 318.329 2.291 0 40 DEAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)N(C)CCOCC1CC1 88564567 RBFPJRHGGDPZRC-MRXNPFEDSA-N 318.421 2.230 0 40 DEAB CCOc1ccc(C(=O)N2CCN(C)CC2)cc1COC(C)C 224719720 SDEVTZIFHLQBJQ-UHFFFAOYSA-N 320.433 2.398 0 40 DEAB COC(=O)c1cc(Cn2cnc(C3CCC3)cc2=O)oc1C 89702980 RZHHELUYBBVKLD-UHFFFAOYSA-N 302.330 2.247 0 40 DEAB O=C(O)c1ccc2c(=O)n(CCCc3ccccc3)c(=O)[nH]c2c1 40478861 OFOGBTMCINVWSE-UHFFFAOYSA-N 324.336 2.021 0 40 DEAB COc1ccc2nnc(C(=O)NCc3ccc(F)cc3)nc2c1 46088310 WMWUSOMPZDDMMD-UHFFFAOYSA-N 312.304 2.103 0 40 DEAB CCN(C)c1ccccc1NC(=O)NCc1nncn1C1CC1 96461243 IOCPQVNBZWUHGO-UHFFFAOYSA-N 314.393 2.391 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2occc2C)Cc2ccnn2C1 96188939 ICVXORSFHCHCQB-CYBMUJFWSA-N 303.362 2.093 0 40 DEAB COc1ccccc1N1CCC[C@H](Nc2ncnc3[nH]cnc23)C1 96409552 JCCJFNHCULZANK-LBPRGKRZSA-N 324.388 2.442 0 40 DEAB CCN1CCN(C(=O)COc2cccc3c2CCCC3)CC1 96125670 JFQLNGCZJNNTHH-UHFFFAOYSA-N 302.418 2.108 0 40 DEAB CC[C@H](C)c1csc(N(C)C(=O)[C@@H](C)CS(C)(=O)=O)n1 96446288 NUMUZGVHAKBDRK-UWVGGRQHSA-N 318.464 2.300 0 40 DEAB CCN1C[C@@H](COC)[C@]2(CCN(Cc3scnc3C)C2)C1 96216243 SSRILXDHMLGJLA-GOEBONIOSA-N 309.479 2.242 0 40 DEAB CCC[C@H](CCc1ccccc1)NC(=O)N[C@H]1CCN(C)C1=O 96440687 PIJYLABICONXIA-CVEARBPZSA-N 317.433 2.318 0 40 DEAB CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc2[nH]ccc2c1 96186208 QQIJVBANLYAAAX-HZPDHXFCSA-N 311.385 2.393 0 40 DEAB CN(C(=O)c1ccncc1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257216166 CTKSKYZRHRMKGE-IKGGRYGDSA-N 312.369 2.125 0 40 DEAB O=C(COc1ccccc1F)N1CCCC[C@H]2CNCC[C@H]21 257255052 KFWXUWCUBLMAMU-DZGCQCFKSA-N 306.381 2.195 0 40 DEAB COCCCn1ccc(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)n1 279510846 JMZDSJJPVRQONZ-CYBMUJFWSA-N 324.425 2.198 0 40 DEAB CCS(=O)(=O)N1CC2(C[C@H](OCC3CCCC3)CS2)C1 575403534 GBJUYSJINJMZOV-ZDUSSCGKSA-N 319.492 2.103 0 40 DEAB O=C(CC1CC1)NC[C@H]1CC[C@@H](Oc2ccc(F)cc2)[C@@H]1O 585283583 CCENLXCIARRZND-SRCQZFHVSA-N 307.365 2.260 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)[nH]n1 54150467 HIAIYQNMISIHLJ-AWEZNQCLSA-N 313.357 2.467 0 40 DEAB COc1cccc(NC(=O)NCc2nnc3n2CCCCC3)c1 46062011 XPCXKAHGJVNSFE-UHFFFAOYSA-N 315.377 2.335 0 40 DEAB COc1ccc(CN2CCN(CCOC(C)C)CC2)cc1OC 50274559 MBWBLHXEPHHQSY-UHFFFAOYSA-N 322.449 2.246 0 40 DEAB Cc1cc(C)n([C@H](C)CC(=O)NCc2c(C)cc(C)[nH]c2=O)n1 75111088 HZIBGYHHVGXAOG-CQSZACIVSA-N 316.405 2.073 0 40 DEAB CO[C@]1(CNC(=O)Nc2ccc3c(c2)OCO3)CCSC1 96097773 DXEZVHUEUDFBNB-AWEZNQCLSA-N 310.375 2.059 0 40 DEAB CCNS(=O)(=O)[C@H]1CCN(Cc2c(C)oc3ccccc23)C1 97051717 MCOICCQRGCOYKB-ZDUSSCGKSA-N 322.430 2.255 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCCN1CCCCC1 13647842 CUWIAUCVZUAOSQ-SOFGYWHQSA-N 316.401 2.421 0 40 DEAB COc1ccccc1CN1CCC[C@H](c2nc(C)cc(=O)[nH]2)C1 19117998 SFROGTTVLGVCBQ-HNNXBMFYSA-N 313.401 2.467 0 40 DEAB Cc1cnc(-c2nnc(CNC(=O)C3CCCCC3)o2)cn1 19239254 WSWBKLGSFQQMLQ-UHFFFAOYSA-N 301.350 2.032 0 40 DEAB COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1OC 13252586 YPHDSXOYHMVILX-NWDGAFQWSA-N 305.330 2.309 0 40 DEAB COc1cc(C(=O)COC(=O)c2ccco2)cc(OC)c1OC 3244847 JGFNSZGQSFDWIX-UHFFFAOYSA-N 320.297 2.345 0 40 DEAB CC(=O)N(C)[C@@H]1CCOC2(CCN(Cc3cccnc3)CC2)C1 1848356537 BOALMBGRITXRHF-QGZVFWFLSA-N 317.433 2.074 0 40 DEAB O=C(CSc1nncc(O)n1)Nc1cccc2ccccc12 1282339 HGVBPAHINRYQJI-UHFFFAOYSA-N 312.354 2.461 0 40 DEAB COC(=O)c1ccc2nc(NC(=O)c3cnccn3)sc2c1 38575464 BUMHFTYFZGKRBR-UHFFFAOYSA-N 314.326 2.125 0 40 DEAB O=C(Nc1cccc(NC(=O)c2cnccn2)c1)c1cccnc1 31967163 XVGGHILJIOUYOY-UHFFFAOYSA-N 319.324 2.376 0 40 DEAB COc1ccc(Nc2nc3[nH]nc(N)c3c3c2CN(C)CC3)cc1 20546879 ZHYPSOJSQHMYQJ-UHFFFAOYSA-N 324.388 2.280 0 40 DEAB CCc1noc(C)c1C(=O)OCc1nc(-c2cccnc2)no1 21481403 MDRHMFWDHHSWCX-UHFFFAOYSA-N 314.301 2.347 0 40 DEAB CSc1ncccc1C(=O)NCc1ccc(NC(N)=O)cc1 32899173 MRSKKILBIHNWRT-UHFFFAOYSA-N 316.386 2.224 0 40 DEAB CC[C@H](C)NC(=O)CS(=O)(=O)Cc1ccccc1Cl 32929755 VEFGOHZJMHXTGC-JTQLQIEISA-N 303.811 2.170 0 40 DEAB COc1ccccc1CNC(=O)c1c[nH]c2ccccc2c1=O 22233974 MHIRSWPHGKCYNV-UHFFFAOYSA-N 308.337 2.467 0 40 DEAB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cc(Cl)ccn1 104101329 IECYGRFBGDRNKP-LRYQHZMXSA-N 300.745 2.293 0 40 DEAB O=C(O)[C@H](Cc1ccc(O)cc1)NC(=S)Nc1ccccc1 174776 MJMJHKHZDLOSLW-AWEZNQCLSA-N 316.382 2.375 0 40 DEAB c1nc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2nc[nH]c2n1 47509344 IEUYXSDGQFUNNN-GFCCVEGCSA-N 323.356 2.466 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 23386135 BLMSOZVXAFQARD-LLVKDONJSA-N 324.336 2.318 0 40 DEAB Cc1ccc(C(=O)C(=O)N2CC[C@H](OCc3cccnc3)C2)cc1 79021607 RPSKTUUFGZEJBW-KRWDZBQOSA-N 324.380 2.390 0 40 DEAB C[C@H](NC(=O)NC[C@@H](O)C1CC1)c1cccc(-n2ccnc2)c1 74876381 KSDHWYAXCQAUQY-BLLLJJGKSA-N 314.389 2.003 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCCN(CC)CC)cc1 3624021 ZBDVLXRSLGRTTC-UHFFFAOYSA-N 314.451 2.096 0 40 DEAB COc1ccc(Cc2nnc(NCc3ccccc3)[nH]c2=O)cc1 4224998 JRKKOSMLWMAVTQ-UHFFFAOYSA-N 322.368 2.376 0 40 DEAB Cn1ccnc1SCC(=O)c1ccc2c(c1)CCC(=O)N2 7901162 IWIWXGGPDANQCK-UHFFFAOYSA-N 301.371 2.280 0 40 DEAB Cc1csc(N2CCCN(C(=O)c3c(C)noc3C)CC2)n1 55760112 XAMYBRHWMDDRFS-UHFFFAOYSA-N 320.418 2.409 0 40 DEAB O=C(CCc1ccccc1Cl)N[C@@]1(C(=O)O)CCSC1 43509860 WSRBYXFESZKETQ-AWEZNQCLSA-N 313.806 2.349 0 40 DEAB CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1 9064200 NBIXLMJBTNPLAP-UHFFFAOYSA-N 303.343 2.365 0 40 DEAB COc1ccc(CCNC(=O)Cc2c(C)noc2C)cc1OC 35686466 HPIJGFWBNPCCHA-UHFFFAOYSA-N 318.373 2.210 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 57025825 NPRRIDYQEVJAKA-UHFFFAOYSA-N 300.280 2.010 0 40 DEAB CC(C)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl 12775284 WBMUKXBSOBGLKG-UHFFFAOYSA-N 303.189 2.495 0 40 DEAB CC(C)c1noc(CNc2ccccc2CS(C)(=O)=O)n1 58184659 WPDULQYCRZIKHK-UHFFFAOYSA-N 309.391 2.350 0 40 DEAB O=C(NCc1ccccc1N1CCOCC1)[C@@H]1CC=CCC1 58279611 YUSNQHRMMHGFRN-OAHLLOKOSA-N 300.402 2.496 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCO1 10681674 FDUPMTAYHVKLOI-QMMMGPOBSA-N 310.202 2.403 0 40 DEAB c1coc(CN2CCC[C@@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 107228588 FATITTZMVBCXFG-RHSMWYFYSA-N 314.389 2.305 0 40 DEAB NC(=O)c1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 12884178 ONKUKYSICDKYPG-UHFFFAOYSA-N 320.352 2.152 0 40 DEAB Cn1ccnc1C1(O)C[C@@H]2CC[C@@H](C1)N2C(=O)c1cccs1 100128285 YARMONPEILTFNW-RYUDHWBXSA-N 317.414 2.136 0 40 DEAB CCNC(=O)CSc1nnc(N2CCC(C)CC2)n1C1CC1 11423346 UNLAXQOQJCOEQR-UHFFFAOYSA-N 323.466 2.078 0 40 DEAB CCn1nc(C)c2c(C(=O)OC)cc(-c3cnn(C)c3C)nc21 2732276 INXJJJUFURXNBV-UHFFFAOYSA-N 313.361 2.255 0 40 DEAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1ccc(N(C)C)nc1 47189148 CYBFKMPAXOXKFI-DZGCQCFKSA-N 305.422 2.473 0 40 DEAB O=C(COc1cccc(F)c1)NCc1ccc(C(=O)O)cc1 13092015 PUAWOQQLOAYSDI-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB COc1cc(C(=O)O)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C 13419796 GMZSDJUITHYOPP-AAEUAGOBSA-N 321.373 2.467 0 40 DEAB CCCn1nc(C(=O)N(C)Cc2ccc(F)cc2)ccc1=O 49945539 BFXGSXGKVRELPY-UHFFFAOYSA-N 303.337 2.065 0 40 DEAB O=C(NO[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 65475243 WLLPAAYBYIWUPA-LSDHHAIUSA-N 324.421 2.132 0 40 DEAB Cc1ccccc1OCCCC(=O)N1CCC(CC(N)=O)CC1 65511859 BWSMSOHEXMHQDB-UHFFFAOYSA-N 318.417 2.268 0 40 DEAB C[C@]1(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)CC1(Cl)Cl 110697674 UJAMNHLMZCYHBY-NQBHXWOUSA-N 300.185 2.345 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)Oc2cccc(-n3cnnn3)c2)cc1 14733932 XCVTUEGCUWQANN-ZDUSSCGKSA-N 323.356 2.377 0 40 DEAB Cc1ccccc1CN1CCCN(C(=O)[C@@H]2CCOC2)CC1 66916111 HOKVWCUHYMZGRA-QGZVFWFLSA-N 302.418 2.066 0 40 DEAB C[C@@H](Sc1ncccn1)C(=O)Nc1ccc2c(c1)OCCO2 6912391 PIMIHDHTSQQLQO-SNVBAGLBSA-N 317.370 2.367 0 40 DEAB C[C@@H](CNCc1cc(F)ccc1Br)[S@](C)=O 90193579 BNVZUGVWPVTKAP-ZKANADHPSA-N 308.216 2.445 0 40 DEAB Cc1cc(C)cc(NC(=S)N(C)[C@@H]2CCS(=O)(=O)C2)c1 7367955 ZJIHRQZGICUXNW-CYBMUJFWSA-N 312.460 2.119 0 40 DEAB O=C(NCc1ccc(-c2cccnc2)cc1)N1CCC[C@@H](O)C1 96444057 YSDGDJKESVUINC-QGZVFWFLSA-N 311.385 2.415 0 40 DEAB COc1cccc(C(N)=O)c1OCc1ccc2c(c1)OCCO2 71841044 CWBCOQQUHGCOGO-UHFFFAOYSA-N 315.325 2.144 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cccn3ccnc23)n1 71870294 GSBLFBHJAOFEGW-OAHLLOKOSA-N 323.400 2.452 0 40 DEAB O=C(NCc1ccccc1-n1ccnc1)[C@H](O)c1ccccc1 91212020 WAIVKHVCZVWMTB-QGZVFWFLSA-N 307.353 2.222 0 40 DEAB Cc1nc2ccc(N(C)C(=O)[C@H]3CCN(C)C(=O)C3)cc2s1 81650798 CIJAUEBVIIJSNR-NSHDSACASA-N 317.414 2.436 0 40 DEAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)on1 71859063 GERHUIVXQHVOFN-LAJNKCICSA-N 306.387 2.283 0 40 DEAB CN(C(=O)C1=NN(Cc2ccccc2)C(=O)CC1)c1cccnc1 69701538 MZEGZCZTHJBCBI-UHFFFAOYSA-N 322.368 2.223 0 40 DEAB Cc1nnc2ccc(NC[C@H](c3cccs3)N(C)C)nn12 69153666 SXZFNLWKPUPAGV-LLVKDONJSA-N 302.407 2.209 0 40 DEAB CN1CC(=O)N[C@H]1c1ccc(OCc2ccc(F)cc2)cc1 95419020 BVTFPBCPCUXTRC-QGZVFWFLSA-N 300.333 2.465 0 40 DEAB CC[C@H]1CN(C(=O)COCc2nc3ccccc3s2)CCO1 69371615 YIKPOZBRURVYOW-LBPRGKRZSA-N 320.414 2.450 0 40 DEAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)NCCCn1cccn1 69369580 QMPXHIDRBAKTCM-LSDHHAIUSA-N 314.389 2.137 0 40 DEAB O=C(CN1CCCCCCC1)NC(=O)NCc1cccs1 8338804 UAPNYOLSOXVDOB-UHFFFAOYSA-N 309.435 2.340 0 40 DEAB OCCN1CCC(CNCc2c(F)cccc2Cl)CC1 69415276 CFGYLZPEONSHFF-UHFFFAOYSA-N 300.805 2.273 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1c1ccc2c(c1)OCO2 69657312 AVMOXDDJUXXAMZ-ZDUSSCGKSA-N 312.325 2.081 0 40 DEAB Cc1ccc(F)cc1NCC(=O)N[C@@H](C)C(=O)N1CCCCC1 95417923 BKXOICIWEIEVSM-ZDUSSCGKSA-N 321.396 2.063 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)CCn2cncn2)n1 72273785 QFRLSNJNJOPVOE-LBPRGKRZSA-N 305.407 2.187 0 40 DEAB Cc1ccc(C(C)(C)CNC(=O)N[C@H](C)Cn2cncn2)cc1 72270913 LLHYCMJRFSWIDD-CQSZACIVSA-N 315.421 2.252 0 40 DEAB O=C(C[C@@H]1COCCN1Cc1nc(C2CC2)no1)c1ccco1 97103322 SMUHGJXKHRDJRP-GFCCVEGCSA-N 317.345 2.014 0 40 DEAB O[C@@H]1CCN(Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 95982442 OVEFJYPBEJJFCL-CYBMUJFWSA-N 311.307 2.458 0 40 DEAB O=C(CC1(O)CCCCC1)NCc1nnc(C2CC2)n1C1CC1 95939682 LCGRHPGUZDOZOM-UHFFFAOYSA-N 318.421 2.192 0 40 DEAB CC(=O)NCCCSCC(=O)N1CCC[C@@H]2CCCC[C@H]21 89962659 PEMNGAJAVPZDLS-LSDHHAIUSA-N 312.479 2.427 0 40 DEAB Cc1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1 76501897 SMBMVLGJITVMKI-CABCVRRESA-N 309.431 2.423 0 40 DEAB CCOc1ccc2c(c1)c(=O)c(C(=O)N1CCCC1)cn2C 22237291 ULOHJFIMOXHEAJ-UHFFFAOYSA-N 300.358 2.173 0 40 DEAB C[C@H](N)C(=O)N(C[C@@H]1CCCCN1Cc1ccccc1)C1CC1 79404580 MLCZKCATIVVTFZ-YJBOKZPZSA-N 315.461 2.379 0 40 DEAB COc1ccc2nc([C@H]3CCN(C4CCN(C)CC4)C3)[nH]c2c1 35446774 MBPVZIOORSFWIN-ZDUSSCGKSA-N 314.433 2.455 0 40 DEAB biogenic,in-vitro Cc1ccnc(N2CCC(NCCOc3ccccc3)CC2)n1 77209674 CKWXKTGKRIQCCQ-UHFFFAOYSA-N 312.417 2.422 0 40 DEAB Cc1cc(N)nc([C@]2(C)CCCN2C(=O)Cc2ccccc2)n1 72388499 BMDYTBBMYOSUIK-SFHVURJKSA-N 310.401 2.448 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)C[C@@H](C)Cc2cccc(F)c2)C1 74030256 IETDPCSPPGLNIV-SWLSCSKDSA-N 322.380 2.351 0 40 DEAB C[C@H]1CCCN(C[C@@H](O)COCCOc2ccc(F)cc2)C1 226170763 FTGWBCGALZPYGI-GOEBONIOSA-N 311.397 2.314 0 40 DEAB COC1CCN(CCNC(=O)N[C@H]2CCC[C@@H](C3CC3)C2)CC1 80152788 GBZJXYOFXWSGBL-CVEARBPZSA-N 323.481 2.365 0 40 DEAB C[C@@H](c1ccccn1)N1CCC([C@H](O)c2nccn2C)CC1 89924875 BOAJOSWUFWJHLX-BBRMVZONSA-N 300.406 2.322 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](Oc3cnccn3)C2)c(C)o1 225470832 PODMIJQNZIKVJH-CYBMUJFWSA-N 301.346 2.370 0 40 DEAB COC(=O)c1ccc(Cn2ccc(=O)c3cc(OC)ccc32)o1 40175715 SVUCSAOQZAOXNU-UHFFFAOYSA-N 313.309 2.438 0 40 DEAB O=C(N[C@@H]1C[C@@]12CCOc1ccccc12)[C@@H](O)c1ccccc1 195547534 QQMGNLCWBRDPSN-ZIFCJYIRSA-N 309.365 2.329 0 40 DEAB O=C(NCc1cccc(Oc2ccccc2)c1)[C@H]1COCCN1 195543229 UNSXYAQFBUTPEG-QGZVFWFLSA-N 312.369 2.084 0 40 DEAB CO[C@H]1CCN(Cc2nc(C)cs2)[C@@H]2CN(CC3CC3)C[C@H]12 96207910 WQFHZTGYKHVSTK-XHSDSOJGSA-N 321.490 2.383 0 40 DEAB Cc1ccc(C)c(CC(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C)CC2)c1 96426684 XEHKJCBHRZXGJO-DOTOQJQBSA-N 314.429 2.173 0 40 DEAB Cc1cc(CN[C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)no1 95420857 XKBQAYBGWXUNAA-SNVBAGLBSA-N 312.366 2.376 0 40 DEAB Cc1ncsc1CNS(=O)(=O)c1cc(F)c(F)c(F)c1 96427925 AZUWAAZYCBCDCZ-UHFFFAOYSA-N 322.333 2.347 0 40 DEAB O=C(C1=CCCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2Oc1ccccn1 96041886 HJYVCJBUXKLBHR-ZMSDIMECSA-N 314.385 2.329 0 40 DEAB CCOc1ccc(S(=O)(=O)N(C)CCC(F)(F)F)cn1 96500800 DHCYQKGDRAUKRB-UHFFFAOYSA-N 312.313 2.053 0 40 DEAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCC[C@@H]1c1nc[nH]n1 95456596 VOPBAQDTPRRFHZ-CQSZACIVSA-N 323.356 2.014 0 40 DEAB CN(C)Cc1cnc([C@@H]2CCN(C(=O)c3cccc(F)c3)C2)[nH]1 257225513 FGNYJXDBAKTVCA-CYBMUJFWSA-N 316.380 2.240 0 40 DEAB CCCS(=O)(=O)N(C)[C@@H]1CCCN(c2cccc(C)n2)C1 257343737 ZUEZNNLLGYHDGG-CQSZACIVSA-N 311.451 2.030 0 40 DEAB Cc1nc(CC(=O)N2CCC[C@@H](Cc3ccn[nH]3)C2)cs1 257222868 DUXVXOUGWQEKHF-LBPRGKRZSA-N 304.419 2.198 0 40 DEAB COc1cccc(S(=O)(=O)N2CCC[C@@H]2c2cnccn2)c1 257271873 NADKKJKBHQHCCD-OAHLLOKOSA-N 319.386 2.011 0 40 DEAB Cc1cccnc1C(=O)N1CCCC[C@]2(C)NC(=O)CCC[C@H]12 257221100 DNMARTFTQCLKOR-KSSFIOAISA-N 315.417 2.444 0 40 DEAB O=C([C@H]1CCCCO1)N1CCC(c2ccn3nccc3n2)CC1 257324226 WNSUIVLIVSDCDQ-OAHLLOKOSA-N 314.389 2.004 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3cnc4ccccc4c3)CCO2)n1 257296106 RBGRCIPOHURUQC-INIZCTEOSA-N 322.368 2.480 0 40 DEAB O=C(Nc1ccc2cn[nH]c2c1)c1cc(-n2ccnc2)ccn1 85558268 UYUGLKBFLCQYDO-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB COC(=O)CSc1ccc(-c2ccc(OC)c(OC)c2)nn1 90610224 AHCBZNQOWLDLDF-UHFFFAOYSA-N 320.370 2.426 0 40 DEAB CC(C)CN(C)C(=O)NCCCS(=O)(=O)c1ccccc1 68405714 QQVNKQCHSPKXFZ-UHFFFAOYSA-N 312.435 2.148 0 40 DEAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1c(C)n[nH]c1C 36962611 XTNWTLATNINNEP-UHFFFAOYSA-N 305.403 2.476 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cn1 58004568 WGFMVWGQSJXUMX-UHFFFAOYSA-N 324.384 2.423 0 40 DEAB Cn1ccnc1N1CCN(C(=O)c2cc3ccccc3o2)CC1 12444524 PIPDMCRVPKEYMG-UHFFFAOYSA-N 310.357 2.129 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 17030896 WHGLHSHSJOVYAE-KNUWBNEDSA-N 303.314 2.101 0 40 DEAB COC(=O)CCCC(=O)N1C[C@@H](C)CN(C)c2ccccc21 157604501 YJRAWUIPWKTXCD-ZDUSSCGKSA-N 304.390 2.449 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(Cc2cnn(C)c2)C1 643914118 LHVHKUJPMMUJEP-KRWDZBQOSA-N 319.380 2.229 0 40 DEAB O=C1CCC(C(=O)OCc2cccc(C(F)(F)F)c2)=NN1 6888798 UAXPJRGNXAHUNS-UHFFFAOYSA-N 300.236 2.015 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2cccc(C)c2)s1 15347866 AGUHUZISEAXZCB-UHFFFAOYSA-N 324.427 2.493 0 40 DEAB COc1ccc([C@@H](CC(=O)Nc2ccccn2)NC(C)=O)cc1 21383666 ZAAZUOZRGCNZIV-OAHLLOKOSA-N 313.357 2.296 0 40 DEAB O=C(/C=C/c1ccccc1)NCc1cccnc1N1CCOCC1 30312874 MLDNYRSPZBEKDZ-CMDGGOBGSA-N 323.396 2.248 0 40 DEAB C[C@@H]1COCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 31664506 SLKJLWHOIWXTMV-OAHLLOKOSA-N 317.433 2.081 0 40 DEAB CSc1ccc([C@H]2SC(NC(C)=O)=NN2C(C)=O)cc1 201269 KKWHIISZSNSYGZ-GFCCVEGCSA-N 309.416 2.410 0 40 DEAB CC(=O)N[C@@H](CC(=O)NCCc1cccnc1)c1cccs1 32349433 AWUUMSNBBADBNW-AWEZNQCLSA-N 317.414 2.069 0 40 DEAB CC(=O)N1CCN(C(=O)c2csc(-c3ccc(C)o3)n2)CC1 32644991 BPEMKHZTSVRSEQ-UHFFFAOYSA-N 319.386 2.016 0 40 DEAB O=C(NCCCN1CCOCC1)C1(c2cccc(Cl)c2)CC1 41510385 FWMFTNZYHXFICH-UHFFFAOYSA-N 322.836 2.210 0 40 DEAB Cc1cccc2[nH]c3c(N4CCC(C(N)=O)CC4)ncnc3c12 542865 QVZILWTVVKYVPX-UHFFFAOYSA-N 309.373 2.121 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCCCN(C)c1ccccc1 41978067 BXHLTQCPXIZMRI-UHFFFAOYSA-N 300.406 2.293 0 40 DEAB Cc1ccc(/C=C2/C(=O)Nc3ccc(S(N)(=O)=O)cc32)cc1 47202604 FWCOTSWKCTYCPX-RIYZIHGNSA-N 314.366 2.135 0 40 DEAB Cn1c(CSc2nc3c(N)ncnc3[nH]2)nc2ccccc21 172587 ODNXZKWUDQQZFH-UHFFFAOYSA-N 311.374 2.114 0 40 DEAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccccn1)C1CC1 61510986 HCBJTRUDUGPVCX-KRWDZBQOSA-N 310.353 2.413 0 40 DEAB Cc1noc([C@@H](C)N2CCC(NC(=O)OC(C)(C)C)CC2)n1 47540728 QTBVVJINTCGRRS-SNVBAGLBSA-N 310.398 2.428 0 40 DEAB COc1c(C)cnc(CN2CCn3c(nnc3C3CC3)C2)c1C 78788270 HZNAAGLWHDWRFJ-UHFFFAOYSA-N 313.405 2.192 0 40 DEAB O=C(O)COc1ccc(Cl)cc1I 1732199 VURLZEJJRXSYTM-UHFFFAOYSA-N 312.490 2.408 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCCN([C@H](C(=O)O)c2ccco2)C1 2527372 PQGTXKSAXBQQSL-YPMHNXCESA-N 324.377 2.394 0 40 DEAB COc1ccc(CNC(=O)CCc2ccccc2OC)cn1 54484692 UOHYQMGWBPJWKT-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB C[C@H](CC(=O)O)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 4677872 VIEJXMOERKEPJI-LBPRGKRZSA-N 324.808 2.490 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@@H](C)OC[C@@H]1C 55259310 VECDGTXTAGUJML-VHSXEESVSA-N 318.402 2.158 0 40 DEAB C[C@H]1CN(CCCNC(=O)Nc2ccccc2F)C[C@H](C)O1 24989650 OITMCHWUPWTIQX-STQMWFEESA-N 309.385 2.447 0 40 DEAB COc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(F)cc1)C(=O)N2 1320663 MSURVXYJKXWBFB-KRWDZBQOSA-N 315.300 2.247 0 40 DEAB Cn1cc([C@H]2CCCN2C[C@@H](O)COc2ccc(F)cc2)cn1 106837390 LKKONDNOLIQLRT-NVXWUHKLSA-N 319.380 2.136 0 40 DEAB Cc1cc2ncn(CN3CCN(C(=O)C4CC4)CC3)c2cc1C 12510349 KMVUPBPTVHZTKU-UHFFFAOYSA-N 312.417 2.165 0 40 DEAB CCC(CC)(CNC(=O)N1CCC2(CCC2)C1)S(C)(=O)=O 84727234 NWXQQLIPDCKZMV-UHFFFAOYSA-N 316.467 2.175 0 40 DEAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N1CCC2(C1)OCCO2 84718092 AYBUXEXEJLSAKK-DOMZBBRYSA-N 302.374 2.078 0 40 DEAB O=c1[nH]ncc(NCc2ccc(N3CCCC3)nc2)c1Cl 43727659 UEOFAWPIOPUJOG-UHFFFAOYSA-N 305.769 2.031 0 40 DEAB CC(C)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 35192955 RZLBOWDQJKYGPZ-AWEZNQCLSA-N 306.431 2.364 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2ccncc2)c2c(C)nn(C)c2n1 27408408 OTUKQKNLOPNSLA-LLVKDONJSA-N 309.373 2.471 0 40 DEAB COC(=O)C(=O)CC(=O)c1sc(-c2ccccc2)nc1C 103599747 ACTZGOVWTMYWBS-UHFFFAOYSA-N 303.339 2.433 0 40 DEAB Cc1cnc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cn1 44872376 AAVDXVYWGUGNAL-UHFFFAOYSA-N 310.357 2.273 0 40 DEAB C[C@@H]1CN(C(=O)c2ccn(COc3ccccc3)n2)C[C@@H](C)O1 28576271 OSVIPQSKXVFIQG-ZIAGYGMSSA-N 315.373 2.169 0 40 DEAB O=C(NCc1ccnc(OCC(F)(F)F)c1)N1CCCC1 44968801 MGTDDUIFHKBFQI-UHFFFAOYSA-N 303.284 2.328 0 40 DEAB Cc1cc(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)on1 44969372 YUDIQSXINUMRBS-UHFFFAOYSA-N 311.345 2.111 0 40 DEAB CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@H]2CCCO2)cn1 44968582 VVERYTUUQIMONF-DZGCQCFKSA-N 320.437 2.295 0 40 DEAB CCCCNC(=O)COC(=O)c1ccc(SC)cc1OC 3376576 RRXINUQMKRNCMF-UHFFFAOYSA-N 311.403 2.490 0 40 DEAB Cc1ccccc1CN1C(=O)c2ccccc2CS1(=O)=O 60278462 SKXICLAKLRZJQL-UHFFFAOYSA-N 301.367 2.481 0 40 DEAB COc1ccccc1CNC(=O)c1ccc(Cn2cccn2)o1 28224956 HIAVGENGXNCGNP-UHFFFAOYSA-N 311.341 2.463 0 40 DEAB C[C@H](NC(=O)c1cc2c([nH]c1=O)CCCC2=O)c1cccs1 29923844 SCFBJECSTJZKOA-VIFPVBQESA-N 316.382 2.446 0 40 DEAB COc1ccccc1CNC(=O)COC(=O)c1ccc(F)cc1 3619175 KZNCBLAFYMHESF-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB CN(C(=O)c1ccc2ccccc2c1)[C@@H]1CCS(=O)(=O)C1 8937842 NRCJTICSTPUPOB-OAHLLOKOSA-N 303.383 2.099 0 40 DEAB C[C@@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)c1ccccc1 71076625 XGSPCVLHBGKYJN-YPMHNXCESA-N 318.402 2.216 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 71279648 MCGLCJLHSMOCQN-KBPBESRZSA-N 316.357 2.109 0 40 DEAB O=C(Cc1ccc(F)cc1)NCCc1ccc(C(=O)O)cc1 13442685 VWERKLREUXIVOJ-UHFFFAOYSA-N 301.317 2.425 0 40 DEAB CCN(C)CCNC(=O)C1(c2cccc(Cl)c2)CCOCC1 65411582 DCUUDVSFIXSUCZ-UHFFFAOYSA-N 324.852 2.456 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc1O 9219310 NCLXQTWWRPSURR-UHFFFAOYSA-N 317.316 2.313 0 40 DEAB O=C(c1cnn(C(=O)c2cccnc2)c1)c1cc(F)ccc1O 14166572 GSWNVGZSDBFLDF-UHFFFAOYSA-N 311.272 2.042 0 40 DEAB COc1ccc(NC(=O)C[C@](C)(O)C(F)(F)F)c(OC)c1 14241747 NNUOXJDISPWWJA-LBPRGKRZSA-N 307.268 2.346 0 40 DEAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)C2=NNC(=O)CC2)cc1 6560516 QXNXDJIPEXEAMS-LLVKDONJSA-N 316.357 2.020 0 40 DEAB COc1ccc(CCN2CCC(N3CCO[C@H](C)C3)CC2)cc1 66561722 QDUXBZGDRKZUFN-MRXNPFEDSA-N 318.461 2.423 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2csc(C)n2)CC1 68488392 LESGDLBYHZZZLZ-UHFFFAOYSA-N 305.407 2.083 0 40 DEAB Cc1ccsc1[C@H](C)NC[C@H]1CCCN1S(C)(=O)=O 90799389 URTDIOLJLSMWCN-NWDGAFQWSA-N 302.465 2.131 0 40 DEAB CN1CCCc2cc(NC(=O)N[C@@H]3C=C[C@H](CO)C3)ccc21 81506878 CZXJBCOPNMQOLC-GXTWGEPZSA-N 301.390 2.128 0 40 DEAB CCCCC[C@H](CC(=O)OCC)OC(=O)CCCNC(C)=O 70037981 UVPBPLZMTDKUFP-CQSZACIVSA-N 315.410 2.348 0 40 DEAB Cc1cccc(C[S@@](=O)CC(=O)NCCCOC(C)C)c1 71858864 SNSCXPXZPICCKG-NRFANRHFSA-N 311.447 2.175 0 40 DEAB C[C@H](COc1cccc(F)c1)NC(=O)c1ccc2nncn2c1 71851031 GCIMOZMDRHICSR-LLVKDONJSA-N 314.320 2.066 0 40 DEAB COc1cccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)c1 69533177 NFQANIBLFLPUBC-CQSZACIVSA-N 318.417 2.320 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C[C@H](C)O1 17325352 JBXASQYZRQORIZ-RYUDHWBXSA-N 302.374 2.285 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2[nH]1 17304154 SEGRYYWLUDYHCB-UHFFFAOYSA-N 322.324 2.500 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)o1 69654506 RLNWIGDIINNZTN-QWRGUYRKSA-N 313.375 2.019 0 40 DEAB COC(=O)[C@@H](NC(=O)c1ccon1)c1ccc2ccccc2c1 97084810 VSRWGHASSFJWSG-HNNXBMFYSA-N 310.309 2.472 0 40 DEAB Cc1cccc([C@H](C)CNC(=O)N(C)CCN2CCCC2=O)c1 97058284 HKITUCARCHQZQQ-OAHLLOKOSA-N 317.433 2.362 0 40 DEAB CC(C)[C@@H](NC(=O)CCc1cn(C)c2ccccc12)C(=O)O 97035335 QUIIQOYYTKLZFB-MRXNPFEDSA-N 302.374 2.336 0 40 DEAB O=C(NCc1nncn1C1CC1)Nc1cccc2cnccc12 72275194 DUUBBRGHOFYLHQ-UHFFFAOYSA-N 308.345 2.483 0 40 DEAB OC[C@H]1CCCN1c1cc(NCCc2ccsc2)ncn1 72276092 HVWYZIMWVOAAGA-CYBMUJFWSA-N 304.419 2.154 0 40 DEAB CC(C)(C(=O)N1CCC[C@@H](n2cncn2)C1)c1cccs1 72285999 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O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CO 34528542 KRSTZDUMPGTWJG-OAHLLOKOSA-N 300.354 2.234 0 40 DEAB in-vitro CN(C[C@@H]1CCCN(CC(=O)O)C1)C(=O)OCc1ccccc1 79413694 CVEMVUCVAHLONE-HNNXBMFYSA-N 320.389 2.052 0 40 DEAB CN1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 72394140 BBZBBOYBUNBOAU-UHFFFAOYSA-N 300.402 2.282 0 40 DEAB CCc1cncc(C(=O)N[C@@H]2CCC(=O)N[C@H]2c2ccccc2)c1 560786530 SVHNSWSDFHJDOU-AEFFLSMTSA-N 323.396 2.394 0 40 DEAB COc1cccc2c1[C@H](C(=O)N1C[C@H]3C[C@@H](O)CC[C@H]3C1)CC2 412801410 CCYSFPSYHPJYHM-XUWVNRHRSA-N 315.413 2.344 0 40 DEAB CC(=O)N1CCC[C@@H](c2cncc(N3CCC(C)CC3)n2)C1 72364758 MFYPYHFGSOQVKY-OAHLLOKOSA-N 302.422 2.439 0 40 DEAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCc2c(ncn2C)C1 69740431 JKGLWINZAISFJK-AWEZNQCLSA-N 324.428 2.146 0 40 DEAB NC[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)S1(=O)=O 222545230 IMBWCCNIBIKTRS-MRXNPFEDSA-N 318.398 2.346 0 40 DEAB COc1ccc(C(=O)NCc2nccc(N3CCCC3)n2)cc1 224149265 KZTGFEIQODUKNC-UHFFFAOYSA-N 312.373 2.015 0 40 DEAB CC(=O)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)cc2)C1 82354663 GUJKUEJOICYMAD-GFCCVEGCSA-N 300.280 2.056 0 40 DEAB COC[C@@H](C)NC(=O)C1CCN(Cc2ccc(OC)cc2)CC1 199403424 BCKMNADMABHPHK-CQSZACIVSA-N 320.433 2.058 0 40 DEAB O=C(C[C@H]1COCCN1CCN1CCCCC1)c1ccccc1 134195484 CPDOONAQKWHGNU-SFHVURJKSA-N 316.445 2.446 0 40 DEAB CNC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 40016023 MXTDSDPACHRZCI-UHFFFAOYSA-N 323.349 2.378 0 40 DEAB COc1cccc2c(C(=O)N3C[C@@H]4CCC[C@@]4(N)C3)coc12 1579288473 QPPVLDHLYUANIY-APPDUMDISA-N 300.358 2.395 0 40 DEAB C[C@H](O)C1CCN(C(=O)c2cc(Br)cn2C)CC1 80369428 IWJIENQBIZQFSD-VIFPVBQESA-N 315.211 2.021 0 40 DEAB CNC(=O)c1ccc(Nc2ccc(OC)cc2OC)c(N)c1 225432813 LZKVIQCTPFFCGB-UHFFFAOYSA-N 301.346 2.389 0 40 DEAB c1cnc(N2CCC[C@]3(CCN(Cc4nccs4)C3)C2)nc1 96047149 OJLLRNNOQXJNDW-MRXNPFEDSA-N 315.446 2.426 0 40 DEAB COCc1ccc(C(=O)N2CCNC[C@@H]2c2ccncc2)cc1 577363911 UPHUHDJBFYWSSG-QGZVFWFLSA-N 311.385 2.015 0 40 DEAB O=C(c1ccsc1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96055857 KLFOCIMYKMPPBE-OLZOCXBDSA-N 300.387 2.032 0 40 DEAB Cc1ccc(C(=O)N2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CC2)cn1 96041590 OHRWLWZXWSBKSL-GVDBMIGSSA-N 316.401 2.189 0 40 DEAB Cc1nc(CNC(=O)N[C@H]2CCC[C@@H]2Oc2ccccc2)no1 96440169 AITWPFWSNQZANW-KBPBESRZSA-N 316.361 2.177 0 40 DEAB O=C1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CN1 245289781 FBZBOQLQAWMECM-YESZJQIVSA-N 314.429 2.430 0 40 DEAB Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H](N3CCCC3)[C@@H]2O)s1 257236226 HBHFRRZVWJVGDL-BFYDXBDKSA-N 322.474 2.093 0 40 DEAB O=C(NCCCc1nnc2n1CCCCC2)[C@@H]1Cc2ccccc21 607907910 WUKVWESJQWLCOP-MRXNPFEDSA-N 324.428 2.393 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@H]2c2cncc(NC)n2)on1 257269883 MRUQTAACXUAJGI-GFCCVEGCSA-N 301.350 2.046 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1ccnc(O)n1 257316720 VGROWGBCGGOCPU-AWEZNQCLSA-N 317.320 2.064 0 40 DEAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)n1 257203394 APVFEPBQBQYWCE-AWEZNQCLSA-N 302.378 2.240 0 40 DEAB Cc1cncc(C2CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)n1 257302143 SBRVLCJNPLPIDG-UHFFFAOYSA-N 322.372 2.076 0 40 DEAB CC(=O)N1C[C@H](c2ccccc2)[C@H]2CN(Cc3ncc[nH]3)CC[C@H]21 257248597 JEJDYNHFCZMQSX-KZNAEPCWSA-N 324.428 2.246 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cc3ccccc3[nH]2)n1 257341658 ZLIFGFMWAYIUHR-HNNXBMFYSA-N 310.357 2.413 0 40 DEAB CS(=O)(=O)c1ccc(CN2CCC[C@H]2c2ccncn2)cc1 257257960 KRTYXEWXCVKPHL-INIZCTEOSA-N 317.414 2.217 0 40 DEAB COC1(CS(=O)(=O)Nc2ccc(C)c(C(=O)O)c2)CCC1 634789648 YDSLQJQIMHABDZ-UHFFFAOYSA-N 313.375 2.004 0 40 DEAB O=C1CC[C@]2(CCCN(Cc3cccnc3)CC2)N1CCF 585100768 VZUPRJRGDZBCDS-KRWDZBQOSA-N 305.397 2.398 0 40 DEAB CC(C)(C)c1nccc(N2CCC[C@H](NC(=O)C3CC3)C2)n1 1058097253 UVQWAPBTDNPUEG-ZDUSSCGKSA-N 302.422 2.269 0 40 DEAB Cc1cccc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 37193348 ZRCNUSHBIZTRMZ-GOSISDBHSA-N 309.413 2.344 0 40 DEAB CC(C)C(=O)NC1CCN(Cc2nc(-c3ccco3)no2)CC1 44948945 OLBUSXPADCWYLJ-UHFFFAOYSA-N 318.377 2.066 0 40 DEAB O=C(C1CCCC1)N1CCN(C[C@@H](O)c2cccs2)CC1 56921524 PZAKZXNREVLGNX-CQSZACIVSA-N 308.447 2.116 0 40 DEAB O=C1C[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CN1C1CC1 74803198 BRYMWKXZMXVBRT-RZYZSWTKSA-N 302.418 2.082 0 40 DEAB O=S(=O)(N[C@@H]1CCC[C@H](O)C1)c1ccc2c(c1)CCCC2 75156933 ULWBTGSQUUMYRL-CABCVRRESA-N 309.431 2.147 0 40 DEAB C[C@@H](c1ccccc1)[C@H](CO)Nc1cc(-n2ccnc2)ncn1 76019616 YACAEEDPLNIPTA-ZFWWWQNUSA-N 309.373 2.239 0 40 DEAB CN(C(=O)Nc1ccccn1)[C@@H]1CCN(c2ccccc2)C1=O 79358722 PXGSWZNUTDKVKN-CQSZACIVSA-N 310.357 2.351 0 40 DEAB Cc1cc(C(=O)N2CC[C@](O)(Cc3ccc(F)cc3)C2)ns1 519539278 NAUSWTZTTJPPJJ-INIZCTEOSA-N 320.389 2.410 0 40 DEAB O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CCCCCC1 5122946 AIBSJPLQHRNUJA-AWEZNQCLSA-N 301.390 2.378 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cnc(C)nc1 19130505 UXQAUVJYMNPAEJ-ZBFHGGJFSA-N 320.400 2.398 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N[C@@H](C)Cc2ccccn2)c1 19134465 QEWFZKFCGZNAOO-LBPRGKRZSA-N 308.378 2.439 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC[C@H](n2ccnn2)C1 206926395 KOEHXJGUVFMLBN-NSHDSACASA-N 306.753 2.027 0 40 DEAB O=C(C1CCOCC1)N1CC[C@H](Oc2ccncc2Cl)C1 575608100 WHXXNHNLZJWZCK-LBPRGKRZSA-N 310.781 2.141 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c[nH]1 22160666 PNUQHSLYJPEMID-UHFFFAOYSA-N 300.723 2.167 0 40 DEAB CCc1ccc(OCC(=O)Nc2nnc(COC)s2)cc1 148465 CXWXPMZQSRHQMT-UHFFFAOYSA-N 307.375 2.264 0 40 DEAB CN1C[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]2OCC1=O 2037983607 ADIKICJDRPNKCE-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OCC 61912 ILBIXSXAILEUJA-CQSZACIVSA-N 304.346 2.276 0 40 DEAB COc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 10511183 BNSHAOSHFVUKFF-UHFFFAOYSA-N 305.355 2.351 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCCc1ccc(Cl)cc1 585149726 KKGJFVJQIJQSFZ-ZIAGYGMSSA-N 322.836 2.407 0 40 DEAB Cc1cccc(CNC(=O)NCCC(=O)NC2CCCCC2)n1 50143247 GFGTYBBHVUPXQW-UHFFFAOYSA-N 318.421 2.028 0 40 DEAB O=C(NC[C@H](c1ccccc1)N1CCOCC1)C1CCCC1 30699446 XIOKVABJLZTYRW-QGZVFWFLSA-N 302.418 2.366 0 40 DEAB O=C(NC[C@@H](c1ccccc1)N1CCOCC1)C1CCCC1 30699451 XIOKVABJLZTYRW-KRWDZBQOSA-N 302.418 2.366 0 40 DEAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(C2CC2)[nH]n1 30685733 ZRPDUQNKZNJYIZ-LBPRGKRZSA-N 313.357 2.199 0 40 DEAB CC[C@H]1CN(C(=O)CCc2nnc(-c3ccccc3)o2)CCO1 30853837 NZBVDBZOVSPMFR-AWEZNQCLSA-N 315.373 2.307 0 40 DEAB COc1ccc(NC(=O)NC[C@H](O)COc2ccccc2)cc1 31088423 QZPAPZNSZGMUQM-AWEZNQCLSA-N 316.357 2.257 0 40 DEAB COC(=O)c1ccc(C(=O)NCc2cccc(OC)c2)s1 31520413 VAOZCXFPGYLHQQ-UHFFFAOYSA-N 305.355 2.473 0 40 DEAB Brc1cccc2c(NC[C@H]3COCCO3)ncnc12 52490323 GUJVPXAQNVBXNN-VIFPVBQESA-N 324.178 2.220 0 40 DEAB O=c1c(Cl)c(NC[C@H]2CCOC2)cnn1-c1ccccc1 42106971 UYIVHUNEGAYKCY-LLVKDONJSA-N 305.765 2.334 0 40 DEAB CNC[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2)C1 71143208 CUPXFMSNKHNSSM-SECBINFHSA-N 315.186 2.270 0 40 DEAB O=C(NCCc1ccccc1F)[C@@H]1CCCN(C(=O)C2CC2)C1 42382981 VLSGDRJDZWNJBP-OAHLLOKOSA-N 318.392 2.133 0 40 DEAB Cn1c(CCNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)n[nH]c1=S 78502291 GXFUADPYQJULFK-NWDGAFQWSA-N 320.393 2.079 0 40 DEAB COc1ccc([C@H](O)[C@H](NCCO)c2ccc(OC)cc2)cc1 1668852 PDPNQUZPEWAQHI-MSOLQXFVSA-N 317.385 2.060 0 40 DEAB CCc1ccc(S(=O)(=O)N(C)c2cccc(OC)n2)cc1 12545231 NTUKGFTVCDUORW-UHFFFAOYSA-N 306.387 2.478 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)Cc1noc2ccccc12 24989730 RXZNPFPAGRBLAG-CYBMUJFWSA-N 310.357 2.298 0 40 DEAB O=C(CCc1nc2ccccc2[nH]1)N1CCN(CC2CC2)CC1 55669205 CZXYLXLKBSLMEK-UHFFFAOYSA-N 312.417 2.050 0 40 DEAB CC(=O)NCC(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C 97081571 CYGWFMKMEQHXGM-AWEZNQCLSA-N 300.761 2.429 0 40 DEAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)cc1 35306450 IASYMNIXHJGCJV-SFHVURJKSA-N 323.396 2.107 0 40 DEAB O=C(O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 9576716 DTKJYYPJXFMPGE-UHFFFAOYSA-N 323.395 2.193 0 40 DEAB COc1ccc(NC(=O)C(=O)Nc2cccc(OC)c2)cc1 9908841 JDBQCWLRYSGALR-UHFFFAOYSA-N 300.314 2.281 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]2S(=O)(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]12 100366987 ZBFAHGPVNZFJMD-WJHSWIFFSA-N 304.411 2.146 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 44889556 AHRVVDJRDYQBCP-BBRMVZONSA-N 316.401 2.032 0 40 DEAB Cc1ccccc1OC[C@H](O)CN1CCC(c2cc[nH]n2)CC1 58226022 FASJUEKIHKSBFE-MRXNPFEDSA-N 315.417 2.337 0 40 DEAB OC1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1 12743037 ZWXLJEWUKHLXHE-UHFFFAOYSA-N 300.387 2.419 0 40 DEAB O=C(Nc1ccncc1)c1nc(N2CCCC2)ncc1Cl 44973746 LPMHRCMDWYYZAY-UHFFFAOYSA-N 303.753 2.378 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H](C)C(=O)Nc2cc(C)on2)c(C)c1 44948043 GZVPSFNJRURHHQ-LBPRGKRZSA-N 322.386 2.401 0 40 DEAB COc1ccccc1[C@@H](C)N(C)C(=O)CN1CCSC1=O 44909051 UFQQPQAEILVDDN-LLVKDONJSA-N 308.403 2.383 0 40 DEAB NC(=O)N[C@H](CC(=O)NCCc1cccs1)c1cccs1 48353770 ZQVDEMKUDMDZEW-LLVKDONJSA-N 323.443 2.268 0 40 DEAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)/C=C/c2cnccn2)C1 95369448 IYEOWNZRJDJWAV-ZIEDNJRCSA-N 322.412 2.442 0 40 DEAB CC(C)N(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccco3)C2)O1 107739522 ZMLABWUUYFWIMN-ROUUACIJSA-N 322.449 2.370 0 40 DEAB CSc1n[nH]c(N)c1S(=O)(=O)c1ccc(Cl)cc1 10272600 BAZLILBEGYTGHE-UHFFFAOYSA-N 303.796 2.200 0 40 DEAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1 49174406 DMIFDBCXPVWBMI-GFCCVEGCSA-N 322.355 2.343 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)[C@H]1CC=CC[C@H]1C(=O)O 4027822 IRMPITCUTYXXON-LSDHHAIUSA-N 312.369 2.494 0 40 DEAB biogenic O=C(NNc1ccncc1)Nc1cnn(Cc2ccccc2)c1 96004134 YSEFRUXXPAQGEA-UHFFFAOYSA-N 308.345 2.475 0 40 DEAB CCn1cnnc1CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 65423369 FYFKXMDZIMDDAK-AAEUAGOBSA-N 302.378 2.263 0 40 DEAB O=C(NCCNc1ccccn1)c1cnc(-c2ccccc2)nc1 65439898 LXDYGYMQHORQMY-UHFFFAOYSA-N 319.368 2.381 0 40 DEAB Cc1cc(C(=O)CSc2nnnn2C(C)(C)C)c(C)n1C 14016184 IOMFNFKVIHQJIK-UHFFFAOYSA-N 307.423 2.358 0 40 DEAB CC(=O)Nc1cc(C(=O)Nc2c3c(nn2C)CCC3)ccc1C 65855878 VVHKQEVKQCQYKP-UHFFFAOYSA-N 312.373 2.428 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2CCC2)c1C 6639546 ZKGXWXWWYFKRHQ-SNVBAGLBSA-N 307.346 2.333 0 40 DEAB Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1C1CC1 6671919 ZCGWKDKSDZOKPH-UHFFFAOYSA-N 322.368 2.428 0 40 DEAB Cc1noc([C@H]2COCCN2C(=O)c2coc3ccccc23)n1 97108818 VVNMJXOBBMQCCA-CYBMUJFWSA-N 313.313 2.338 0 40 DEAB CCOC(=O)N1CCN(c2cc(Br)ccn2)CC1 97163736 ZFGZPTSPNPTJHG-UHFFFAOYSA-N 314.183 2.123 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1CC(=O)N(C2CCCC2)C1 7399470 BILCRONZFNXAQU-LLVKDONJSA-N 316.357 2.145 0 40 DEAB Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H]1c1cnn(C)c1 71796643 HXHNDLLIOYYSRB-QMTHXVAHSA-N 302.378 2.492 0 40 DEAB O=C(Cn1cnc2sccc2c1=O)c1ccc2c(c1)OCO2 7495116 AOCJRXVIXQVBFE-UHFFFAOYSA-N 314.322 2.070 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)CSc1nnc(N)s1 7536066 HOKJRWNHWASQSZ-UHFFFAOYSA-N 312.395 2.010 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1F 7753754 CTUHHTXQSVLQHY-UHFFFAOYSA-N 307.346 2.159 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2c1cnn2C 71859638 LPWAHJMKEHTPFI-CYBMUJFWSA-N 311.393 2.055 0 40 DEAB CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC(n2cccn2)C1 69616348 KMNFYVUJDCPDRJ-QGZVFWFLSA-N 312.417 2.350 0 40 DEAB CC(C)(C)c1nc(CNC(=O)C(=O)Nc2nccs2)cs1 71892352 UDLLVKPNQUSUHN-UHFFFAOYSA-N 324.431 2.152 0 40 DEAB CN(C)c1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)O)cc1 72434079 UAZRQIHCOCMYOU-MRXNPFEDSA-N 312.369 2.178 0 40 DEAB O=C(NC[C@@H]1CCCC[C@H]1O)c1c[nH]nc1-c1ccccc1F 87387246 BCYNKQLCZGYSSX-XHDPSFHLSA-N 317.364 2.497 0 40 DEAB Cc1ccccc1CS(=O)(=O)Cc1nsc(N(C)C)n1 97080130 QINZOXVQFSJOEX-UHFFFAOYSA-N 311.432 2.028 0 40 DEAB CCOc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]2O)cc1C 84810483 KNADUDNVSGZTPY-LSDHHAIUSA-N 306.406 2.354 0 40 DEAB Cc1cc2occ(CC(=O)NCc3nccc(N)n3)c2cc1C 95993385 IMVJDHHTBDXDMY-UHFFFAOYSA-N 310.357 2.281 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)NC[C@@]2(O)CCSC2)s1 89656527 KAQFRLILNIBAIK-YGRLFVJLSA-N 314.476 2.155 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)C(F)(F)c3ccccn3)C2)n1 89721060 QWUQUEBWFRWQHK-NSHDSACASA-N 322.315 2.271 0 40 DEAB COc1ccccc1C[C@H](C)N(C)CC(=O)Nc1cc(C)on1 75897282 FMLZLKOOYPDWIF-LBPRGKRZSA-N 317.389 2.493 0 40 DEAB CC(C)NC(=O)CSc1nnc2c3ccccc3n(C)c2n1 35312594 UERLOQVFTFOSGW-UHFFFAOYSA-N 315.402 2.133 0 40 DEAB COCc1nnc(NC(=O)c2cc(C)nc3onc(C)c23)s1 36365069 MDDHOKVPYSBHNQ-UHFFFAOYSA-N 319.346 2.090 0 40 DEAB COc1ccc(CN(C)[C@H](C)C(=O)NC[C@@H]2CCCO2)cc1C 79354161 SDYKQWRVNVNWMH-ZBFHGGJFSA-N 320.433 2.119 0 40 DEAB O=C(c1ccccc1NCC[C@@H]1CCCO1)N1CCC[C@H](O)C1 189616024 VILKKWQRBJNCFN-GJZGRUSLSA-N 318.417 2.265 0 40 DEAB CO[C@H]1C[C@@H](N(C)c2ncc(C)c(N(C)[C@H]3C[C@@H](OC)C3)n2)C1 575771859 PXVZBVQUVOQZNY-VLRMEEEOSA-N 320.437 2.012 0 40 DEAB CC[C@H](C)c1noc([C@H]2CCCCN2S(=O)(=O)CC)n1 41122884 YMUGESRZXCDICG-WDEREUQCSA-N 301.412 2.460 0 40 DEAB CCNc1ccc(Cl)cc1C(=O)N(C)C[C@@H](C)c1nnn[nH]1 193807247 LUPJWAOOOXHCPL-SECBINFHSA-N 322.800 2.161 0 40 DEAB C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 196466369 FHOGXXUNJQGWOP-WCQYABFASA-N 309.362 2.004 0 40 DEAB O=C(NCC1(O)CCC1)N[C@@H](c1ccccc1)[C@@H]1CCCO1 96416069 VHSACLBYUIZHMH-GJZGRUSLSA-N 304.390 2.121 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)NCCC(=O)N1CCOCC1 91309395 ZHPBBRXKVODAPN-ZDUSSCGKSA-N 310.825 2.110 0 40 DEAB O=C1CC[C@@H]2[C@@H](CCN2Cc2ccoc2)N1Cc1cccnc1 96316713 PJOSZYGIPXRKAY-IAGOWNOFSA-N 311.385 2.440 0 40 DEAB O=C(OCc1ccsc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 96442688 FJLXRDABURWQFK-VIFPVBQESA-N 307.293 2.202 0 40 DEAB CCOC(=O)CCNC(=O)c1cc(C)ccc1N1CCCC1 96408392 RGEFNZLRKLYRFZ-UHFFFAOYSA-N 304.390 2.278 0 40 DEAB CC(C)=CCOc1cccc(C(=O)NCC(C)(C)C(N)=O)c1 96426239 AASUEVITJPINLV-UHFFFAOYSA-N 304.390 2.273 0 40 DEAB O=C(Cc1ccc2c(c1)OCC2)NCc1nc2ccccc2[nH]1 96230725 NPPSIKXOBJNQGS-UHFFFAOYSA-N 307.353 2.357 0 40 DEAB O=C(c1cnc(-c2noc3ccccc23)s1)N1CCOCC1 96266575 UFRYTMUNFQYDCQ-UHFFFAOYSA-N 315.354 2.424 0 40 DEAB CCOc1ccc(NC(=O)CN2CCC(C)CC2)cc1CO 95447806 SDMCGHQMKCQPAT-UHFFFAOYSA-N 306.406 2.248 0 40 DEAB c1coc(CN2CCC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 96223096 FATITTZMVBCXFG-WMLDXEAASA-N 314.389 2.305 0 40 DEAB CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2CO)c(F)c1 245339117 QOFIFOLKLUJHOU-FNNPODNZSA-N 306.381 2.029 0 40 DEAB c1cnc(OC[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccco2)nc1 247924536 OVDXPQXHVQTEKD-CWRNSKLLSA-N 315.373 2.128 0 40 DEAB CC(C)Cn1ncnc1Cn1cncc(-c2ccccc2)c1=O 252483006 DSFNEPZLFHZCDU-UHFFFAOYSA-N 309.373 2.206 0 40 DEAB Cc1cnn(CC(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)c1 257305279 SPGCHHYMBHKUAO-MRXNPFEDSA-N 321.384 2.172 0 40 DEAB CO[C@@H]1CC[C@H](NC(=O)NC[C@H](O)c2cc(C)cc(C)c2)C1 252504779 VKYZXCSZGNAIGV-XHSDSOJGSA-N 306.406 2.204 0 40 DEAB COCC(=O)N1CCC[C@@]1(C)c1nc(C)cc(C(F)(F)F)n1 257217550 CZLPVTKEAFOTPL-ZDUSSCGKSA-N 317.311 2.288 0 40 DEAB COCCOc1ccccc1NC(=O)NCCC1(O)CCC1 390835154 FDKOGNXGAUTYHM-UHFFFAOYSA-N 308.378 2.138 0 40 DEAB Cc1cc(C)nc(N2CC[C@](O)(COc3ccc(F)cc3)C2)n1 585278614 UQLPPXDWJZPDIB-QGZVFWFLSA-N 317.364 2.253 0 40 DEAB Cc1ccc(C)c(CC(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)c1 72277540 RUKCAFXJCMLQLL-UHFFFAOYSA-N 323.352 2.014 0 40 DEAB CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@H]1C(=O)O 37827516 FENGJZIONZTOBP-NXEZZACHSA-N 312.163 2.128 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)OC 58846873 OBBQDXAAZHZDQR-YGRLFVJLSA-N 309.362 2.021 0 40 DEAB c1nc(NCCc2csc(N3CCCC3)n2)c2nc[nH]c2n1 76063518 NVANDCIMNVSNRL-UHFFFAOYSA-N 315.406 2.064 0 40 DEAB CC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2O)cc1 5785367 DRVYFGMCLHTDBM-UHFFFAOYSA-N 313.309 2.390 0 40 DEAB COCCn1c(=O)n(Cc2ccccc2F)c2cccnc21 12117496 CJAWRYVRAHBUJS-UHFFFAOYSA-N 301.321 2.032 0 40 DEAB Cc1ccc(C2=NO[C@@H](CC3(C(=O)O)CCNCC3)C2)cc1 12157365 SMZDLQPESFHUEV-CQSZACIVSA-N 302.374 2.333 0 40 DEAB COc1ccccc1Cn1nnc(C(=O)Nc2ccccc2)c1N 1235125 PODGBDCABKSBAT-UHFFFAOYSA-N 323.356 2.170 0 40 DEAB O=C(NC1CCOCC1)N1CC[C@@H](n2cnc3ccccc32)C1 585149418 QNVNLBDCGXCIMN-CQSZACIVSA-N 314.389 2.172 0 40 DEAB CS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCC2)c1 23655223 DLGKSFUSSRKHEZ-UHFFFAOYSA-N 301.795 2.416 0 40 DEAB Cc1ccc(C)c(NC(=O)COc2ccc(-n3cnnn3)cc2)c1 6786507 RVHHSTVKJPGQBG-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB O=C(N1CCC2(CC1)OCCO2)C1(c2ccccc2)CCC1 24998403 DPMRGKHEAJXHPA-UHFFFAOYSA-N 301.386 2.474 0 40 DEAB C[C@H](C(=O)OCC(=O)O)c1ccc(C[C@@H]2CCCC2=O)cc1 2061000641 DOJZLLNWERACBS-FZMZJTMJSA-N 304.342 2.330 0 40 DEAB CC(C)(C)NC(=O)N1CCC(CNC(=O)c2ccccn2)CC1 43978072 OGMKHPYFQXYTGE-UHFFFAOYSA-N 318.421 2.032 0 40 DEAB COC(=O)c1ccccc1NCC(=O)N1CCc2ccccc2C1 40005726 ZPRAYYNNXBZQGB-UHFFFAOYSA-N 324.380 2.470 0 40 DEAB CCc1ccc(C(=O)NCCOc2ccc3c(c2)OCO3)o1 40121791 HHJWONUJSBSTAD-UHFFFAOYSA-N 303.314 2.380 0 40 DEAB Cc1csc(NC(=O)Cn2sc3ccccc3c2=O)n1 40287003 FBCBZYFIGWYCTD-UHFFFAOYSA-N 305.384 2.467 0 40 DEAB CN(C)c1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cn1 31030472 QOCPPXBIJDDWLA-UHFFFAOYSA-N 314.345 2.198 0 40 DEAB C[C@@H](CNC(=O)c1ccccn1)N1CCc2sccc2C1 32817183 RCCNIFHQBWXBFA-LBPRGKRZSA-N 301.415 2.320 0 40 DEAB CN(Cc1ccccc1)C(=O)NCc1nnc2n1CCCCC2 32801972 GVXJFDJJNUPFMA-UHFFFAOYSA-N 313.405 2.346 0 40 DEAB COC(=O)Cc1c(C)c2ccc(O[C@@H](C)C(C)=O)cc2oc1=O 488725 BKTAZUXBSBVSGY-NSHDSACASA-N 318.325 2.173 0 40 DEAB biogenic CCn1cnnc1CNC(=O)N[C@@H](C)Cc1cccc(Cl)c1 41369694 SZIYMIFFNBAPPB-NSHDSACASA-N 321.812 2.382 0 40 DEAB CC(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 560951 QWFCBXUPKKFUPM-UHFFFAOYSA-N 323.304 2.233 0 40 DEAB Cc1cccc(CN(CC(=O)Nc2nncs2)C2CC2)c1 53110697 SEGPWKFEHZBSFR-UHFFFAOYSA-N 302.403 2.450 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cc(Cl)c[nH]1 22186260 VOEKICXMZJUTNH-UHFFFAOYSA-N 322.777 2.238 0 40 DEAB NS(=O)(=O)c1ccc(CCC(=O)OCc2ccccc2)cc1 21481183 XSOMBTCVIQSYSE-UHFFFAOYSA-N 319.382 2.010 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 304452 GBMYTZNKLNKKGA-VXGBXAGGSA-N 310.419 2.312 0 40 DEAB Cc1n[nH]c(=S)n1CCNC(=O)c1ccc(F)c(F)c1F 78749434 WIQLLJWQIPSSOA-UHFFFAOYSA-N 316.308 2.096 0 40 DEAB CC[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Oc1cccc(C)c1 79018861 YZSFSOAGOSQQGG-HNNXBMFYSA-N 314.385 2.281 0 40 DEAB CCOC(=O)c1cc(NC(=O)N2CCC[C@H](COC)C2)c[nH]1 79105225 PSDCWGFXPLFCPT-NSHDSACASA-N 309.366 2.082 0 40 DEAB Cc1cc(NC(=O)CN2CCCc3cc(F)ccc32)n(C)n1 79354039 DXHROTLCQDCQQH-UHFFFAOYSA-N 302.353 2.259 0 40 DEAB O=C([C@H](c1ccccc1)[C@H](O)c1ccccc1)N1CCOCC1 1670715 JOGUEBOMDPDHHK-QZTJIDSGSA-N 311.381 2.363 0 40 DEAB Cc1cc(-c2csc(NC(=O)[C@@H]3COCCO3)n2)c(C)o1 79852579 ZQQIHABYLYGITH-LBPRGKRZSA-N 308.359 2.374 0 40 DEAB O=C(COC(=O)Cc1ccccc1F)NCc1ccccc1 3425366 LZTYEZKFXALNBR-UHFFFAOYSA-N 301.317 2.228 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(OC(F)F)c(F)c1 47714052 NXGOWVLPAZJCSG-SSDOTTSWSA-N 319.283 2.073 0 40 DEAB Cc1cc2oc(=O)cc(C)c2cc1OC[C@H](O)CNC(C)C 6922338 LWLXSESITKEFNQ-CYBMUJFWSA-N 305.374 2.148 0 40 DEAB C[C@H]1CN(c2ccccc2NC(=O)N2CCOCC2)C[C@@H](C)O1 47806760 WICAZZGEMSUZKO-OKILXGFUSA-N 319.405 2.164 0 40 DEAB Cc1cc(C)cc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1 8694197 CPKOFNOCIVXGCA-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 57279933 YZNGMSVMDOBURG-NSHDSACASA-N 322.430 2.479 0 40 DEAB C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc(F)cc2)CC1 57290084 CBPIBFMJAYAAPP-CQSZACIVSA-N 319.424 2.395 0 40 DEAB O=C(/C=C/c1ccc(Cl)cc1)NCCNc1ncccn1 47992913 QAZXGJYXJHLGLX-QPJJXVBHSA-N 302.765 2.372 0 40 DEAB Cc1occc1-c1nnc(SCC(=O)Nc2ccon2)n1C 10283512 RNCBUYABUVTRDY-UHFFFAOYSA-N 319.346 2.102 0 40 DEAB O=C(NC1CCN(C(=O)CC2CCCC2)CC1)c1ccncc1 58227784 XHJAHRGLCSKZON-UHFFFAOYSA-N 315.417 2.383 0 40 DEAB CNc1snc(C)c1C(=O)NCCCn1nc(C)cc1C 58293635 IFPIXQHORRSEER-UHFFFAOYSA-N 307.423 2.127 0 40 DEAB O=C(NCCNc1ncccn1)N1CCC[C@@H]1c1cccs1 44971447 DSYFCNDLPURLON-GFCCVEGCSA-N 317.418 2.497 0 40 DEAB CCCC(=O)N[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2)C1 58313973 QLFZEOVMNKGNIH-GJZGRUSLSA-N 318.417 2.361 0 40 DEAB C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCCCO3)C[C@@H](C)O1 58392250 FEZDBVXQDRLZKX-TXEJJXNPSA-N 306.362 2.489 0 40 DEAB NC(=O)CCN(C(=O)Cc1noc2ccccc12)c1ccccc1 58307420 MJWLGCGREDIHSB-UHFFFAOYSA-N 323.352 2.279 0 40 DEAB O=C(c1ccco1)N1[C@H]2CC[C@H]1CN(Cc1nccs1)C2 107262010 FICZJSFKESYPGV-RYUDHWBXSA-N 303.387 2.225 0 40 DEAB C[C@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccco1 48353588 TWQDNCHWCYLEPJ-ZDUSSCGKSA-N 300.362 2.267 0 40 DEAB Cc1cc(C(F)(F)F)nn1Cn1cc(Cl)c(C(=O)O)n1 2535161 DEHXZZQANTYFPP-UHFFFAOYSA-N 308.647 2.264 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@@H]2[C@H](C)O)c1 110695384 UAVHIWNOMMLTJC-SMDDNHRTSA-N 301.383 2.058 0 40 DEAB CCn1cnnc1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 47021227 RYIMCTFXFHMMLT-SNVBAGLBSA-N 308.769 2.035 0 40 DEAB C[C@H](Sc1nnnn1C[C@@H]1CCCO1)C(=O)c1ccccc1 71076624 XGSPCVLHBGKYJN-AAEUAGOBSA-N 318.402 2.216 0 40 DEAB Cc1nc2c(-c3ccccc3)c(=O)[nH]n2c(C)c1CCC(=O)O 49538561 JZPLGOWUGVJWQS-UHFFFAOYSA-N 311.341 2.324 0 40 DEAB CC(C)NC(=O)CSc1nnnn1-c1ccc(C(C)C)cc1 5015474 YQYDAQHTXXHVFY-UHFFFAOYSA-N 319.434 2.402 0 40 DEAB CCOC(=O)c1cccnc1N1CCC(c2nc(C)no2)CC1 96011537 HJHMXRKJJPBDTM-UHFFFAOYSA-N 316.361 2.334 0 40 DEAB C[C@@H](CC(=O)O)CC(=O)N1CCN(c2cccc(Cl)c2)CC1 4677874 VIEJXMOERKEPJI-GFCCVEGCSA-N 324.808 2.490 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1c(F)cccc1F 71830111 BNFXQRVQLBYYND-IJUHFESZSA-N 308.328 2.090 0 40 DEAB CCc1ccc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)cc1 7452291 HFUUNIVUFNQWQN-HNNXBMFYSA-N 323.396 2.313 0 40 DEAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1nc(CC(C)C)no1 71880441 WUWVGBSSIKMOAQ-GJZGRUSLSA-N 320.437 2.243 0 40 DEAB C[C@H]1CCCN(C(=O)Cn2cc(C(F)(F)F)ccc2=O)C1 8072289 UBIRAPVDPUHFBR-JTQLQIEISA-N 302.296 2.126 0 40 DEAB O=C(NCc1cccc(F)c1)NC[C@H](O)c1cccc(F)c1 69107356 LOBPXBFNTYAYPV-HNNXBMFYSA-N 306.312 2.498 0 40 DEAB CC[C@@H]1CCCN(C(=O)CC2(CS(C)(=O)=O)CC2)CC1 96446320 QTFHSXZIOAZBDQ-CYBMUJFWSA-N 301.452 2.240 0 40 DEAB CC(C)c1nc2c(n1C)CCN(Cc1cccc(C(N)=O)c1)C2 69521288 GGNAILOZPYBXAQ-UHFFFAOYSA-N 312.417 2.201 0 40 DEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1 69538101 XZVZHFZPZDXMDN-HZPDHXFCSA-N 321.442 2.045 0 40 DEAB Cc1cccc([C@H]2CCCCCN2C(=O)[C@@H](C)NC(N)=O)c1 96410253 IZQGKDGRRHVNLF-UKRRQHHQSA-N 303.406 2.496 0 40 DEAB Cc1ccoc1C(=O)N1CCCN(Cc2cscn2)CC1 69810423 LCBKADPWPHMKGT-UHFFFAOYSA-N 305.403 2.393 0 40 DEAB CCCCN1C(=O)c2ccc(C(=O)N3CCCC3)cc2C1=O 8748340 SACBJNADSXZGLE-UHFFFAOYSA-N 300.358 2.319 0 40 DEAB COCCNc1ccccc1CNC(=O)c1oc(C)nc1C 84061322 VYUCDGWQFOCUFV-UHFFFAOYSA-N 303.362 2.280 0 40 DEAB CCC(CC)[C@@H]1C[C@H](NC(=O)N2CCN(CC)CC2)CCO1 97049707 PWFJLPGMBNDYKE-CVEARBPZSA-N 311.470 2.317 0 40 DEAB CCCC(=O)N1CCC[C@@H](C(=O)N[C@H](CC)CN2CCCC2)C1 72288384 QRIZQCGLZCFIMY-HZPDHXFCSA-N 323.481 2.016 0 40 DEAB CN(C[C@H]1CCS(=O)(=O)C1)c1ccc2ccc(F)cc2n1 95403267 MRANEIOTFHXBFJ-LLVKDONJSA-N 308.378 2.245 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC(c2cnn(C)c2)CC1 97203627 MIHVXURIIPTQID-HUUCEWRRSA-N 318.465 2.389 0 40 DEAB CC(C)(C)c1ncc(NC(=O)NC[C@](C)(O)c2ccco2)cn1 95403867 ARFWOIHMOZMHLL-INIZCTEOSA-N 318.377 2.396 0 40 DEAB C[C@H](c1ccsc1)N1CCN(C(=O)c2ccnn2C)CC1 97378456 QZTJSZMTIRLXNN-GFCCVEGCSA-N 304.419 2.001 0 40 DEAB CCN(C)Cc1cccc(CNC(=O)NC2(CO)CCCC2)c1 95416126 ZNLBNGKIBNIWNY-UHFFFAOYSA-N 319.449 2.243 0 40 DEAB CCC(CC)N(C)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 95997755 SCUNFWKDBARQSM-KGLIPLIRSA-N 322.430 2.338 0 40 DEAB C[C@H](O)CC(C)(C)CNC(=O)NCc1ccc2c(c1)CCO2 95962445 KWAHKBQZJVXAQH-LBPRGKRZSA-N 306.406 2.218 0 40 DEAB CN(Cc1cncnc1)C1CCN(C(=O)c2ccccc2)CC1 95982857 JCSWWFNEOHEURF-UHFFFAOYSA-N 310.401 2.213 0 40 DEAB CN(C)[C@H]1CCCN(C(=O)NCCc2cc(F)ccc2F)C1 89314056 HXWZZQSFMKKUMR-AWEZNQCLSA-N 311.376 2.243 0 40 DEAB COC(=O)[C@@H](OC(=O)c1cccc2cn[nH]c12)c1cccnc1 89396366 CGPKEFLLBSSFEB-AWEZNQCLSA-N 311.297 2.029 0 40 DEAB CC(=O)COC(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1 21326551 FAZOPEOJPAWABE-JTQLQIEISA-N 313.350 2.018 0 40 DEAB COc1cccc(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)c1OC 33323610 RYKVXXZZFJKTHX-XFFZJAGNSA-N 321.358 2.348 0 40 DEAB CCCCCNS(=O)(=O)c1ccc(C)c(C(=O)NCC)c1 408602082 HRAWIRXSECHABZ-UHFFFAOYSA-N 312.435 2.213 0 40 DEAB CCOC(CN[C@H](CNC(=O)OC(C)(C)C)C1CC1)OCC 521393959 BSLVLQHYXRZLMQ-CYBMUJFWSA-N 316.442 2.278 0 40 DEAB Cn1ncc(C(=O)Nc2ccc3c(c2)OCCO3)c1-n1cccc1 30806249 RPQSRUPBXHEWPP-UHFFFAOYSA-N 324.340 2.234 0 40 DEAB C[C@@H](Cc1ccc(Br)cc1)NCCC(=O)N(C)C 188166300 XBOLMQLGXUWEAO-NSHDSACASA-N 313.239 2.448 0 40 DEAB CCN(CC)CC(=O)NCc1cc(OC)nc2ccccc12 75158912 RIBHNKXKMDYHRI-UHFFFAOYSA-N 301.390 2.201 0 40 DEAB O=S(=O)(N[C@@H]1CCC[C@@H](O)C1)c1ccc(C(F)(F)F)cc1 75156927 JHDQLZJQZMNSML-GHMZBOCLSA-N 323.336 2.287 0 40 DEAB O=C(C[C@@H](c1ccccc1)[C@@H]1CCCCN1)N1CCOCC1 72208332 YRTFWNXRJFIOKG-IRXDYDNUSA-N 302.418 2.161 0 40 DEAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccco2)cc1F 44444155 XUABGUXZBSXQMO-NSHDSACASA-N 304.321 2.413 0 40 DEAB C[C@H](NC(=O)c1cc(N2CCOCC2)on1)c1ccc(F)cc1 224082357 MBVMXOXUYOPPBL-NSHDSACASA-N 319.336 2.141 0 40 DEAB O[C@@H](COCc1cccs1)Cn1nnc(-c2ccsc2)n1 193406565 BGBJFFBRNTUVNV-LLVKDONJSA-N 322.415 2.041 0 40 DEAB CCN(c1ccccc1)S(=O)(=O)NC(=O)c1ccsc1 195580294 UCKRXPICCWMGNJ-UHFFFAOYSA-N 310.400 2.249 0 40 DEAB COCCNC(=O)c1ccc(NCCc2ccccc2)c(N)c1 225413762 GGXOIZRJZWWCLW-UHFFFAOYSA-N 313.401 2.300 0 40 DEAB OCC1(NCCCO[C@H]2CCCCO2)Cc2ccccc2C1 225770693 JYHSPLDVAGZSCO-KRWDZBQOSA-N 305.418 2.039 0 40 DEAB O=C(O)[C@@H](c1cccnc1)N1CCN(c2ccc(F)cc2)CC1 95869846 SGNKVRUFEWJMMR-MRXNPFEDSA-N 315.348 2.169 0 40 DEAB C[C@H](CNC(=O)N[C@@H]1CCSC1)N(C)Cc1ccccc1 96440063 SMCBPMAJPKEPIC-UKRRQHHQSA-N 307.463 2.312 0 40 DEAB Cn1cc([C@H]2CO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cn1 96073492 ILBZPVOEIKVZGR-DYVFJYSZSA-N 315.373 2.192 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)c3cocn3)CC2)CN1C(C)C 96215569 NCFKHWPFYODBCU-CQSZACIVSA-N 321.421 2.026 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1c(C)noc1C(C)C)C2 97198122 GBTJGJUGPWAURC-GFCCVEGCSA-N 302.378 2.356 0 40 DEAB CN(C)Cc1nn(C)c2c1CN(C(=O)Nc1ccc(F)cc1)C2 96084456 FEPNCTVIYZQDMW-UHFFFAOYSA-N 317.368 2.169 0 40 DEAB O=C(CCSc1ccccn1)N[C@H]1c2ccccc2C[C@@H]1O 98018977 OEWQGGCIZIERHP-YOEHRIQHSA-N 314.410 2.338 0 40 DEAB O=C(c1ccoc1)N1Cc2nccn2C[C@H](COCC2CC2)C1 96187894 TTYDXWUMCFTNLD-AWEZNQCLSA-N 315.373 2.175 0 40 DEAB C[C@](NCc1nc2ccc(F)cc2o1)(C(N)=O)c1ccccc1 96466192 KVJAETMBJJZUHO-QGZVFWFLSA-N 313.332 2.457 0 40 DEAB Cc1c(Br)cccc1NC(=O)NCC[S@@](C)=O 96434520 BKXDZJCYRORDGE-KRWDZBQOSA-N 319.224 2.258 0 40 DEAB CCS(=O)(=O)[C@@H](CO)[C@H](N)c1ccc(-c2ccccc2)cc1 96525184 ZFXTZRAISOKMKA-DLBZAZTESA-N 319.426 2.149 0 40 DEAB CC(C)COc1ncccc1C(=O)N1CCc2cncnc2C1 332525766 ONUKRQQSRKYZAL-UHFFFAOYSA-N 312.373 2.105 0 40 DEAB FC(F)(F)c1cccc(N2CC[C@@H](CN3CCOCC3)C2)n1 96429716 RRZBTZCMHVSIPP-LBPRGKRZSA-N 315.339 2.259 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cn4c(C)cccc4n3)C2)n1 257327206 XALWRYVROIHIMH-ZDUSSCGKSA-N 309.373 2.304 0 40 DEAB Nc1cc(CC[C@H]2CN(C(=O)c3cccs3)CCO2)ccn1 257264156 LTDMEGCJMDYISZ-ZDUSSCGKSA-N 317.414 2.199 0 40 DEAB 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CCOc1ccc(NC(=O)C(=O)NCc2cccs2)cc1 5250961 GVOVLYOCPKQRIY-UHFFFAOYSA-N 304.371 2.402 0 40 DEAB Cc1ccc2nc(C)c(NC(=O)Cc3ccccc3)c(=O)n2c1 12180724 RPXDDUHQYQJQJZ-UHFFFAOYSA-N 307.353 2.493 0 40 DEAB Cc1ccc(CC(=O)Nc2nnc(-c3cc(C)n(C)n3)o2)cc1 12443147 IROUPHCZDZQNIV-UHFFFAOYSA-N 311.345 2.268 0 40 DEAB O=C(/C=C/c1ccoc1)NC[C@H](OCCO)c1cccs1 575622418 YQHNEXGLXIVHPK-OOPCZODUSA-N 307.371 2.221 0 40 DEAB O=c1c2ccsc2ncn1Cc1nc(Cc2ccccc2)no1 31645782 QZJIZUHAZIYAOD-UHFFFAOYSA-N 324.365 2.480 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@H](O)C1 32652158 UNUFQFSICIENAT-NSHDSACASA-N 312.797 2.052 0 40 DEAB COc1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 419556 RWAVCKQDLXRMDZ-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB CCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 405807 IALXHXAVVZFRKL-UHFFFAOYSA-N 324.340 2.247 0 40 DEAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3ncccn3)CC2)C1(C)C 22006595 ZDZCTGOKCYUDHP-CABCVRRESA-N 314.433 2.364 0 40 DEAB CCC(=O)Nc1ccc(N2CCN(C(=O)C(C)C)CC2)cc1 558652 GDUWEYYXLJNOEL-UHFFFAOYSA-N 303.406 2.340 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(S(C)(=O)=O)nc2)cc1F 47224245 AUUGLIKGIXBAEX-UHFFFAOYSA-N 308.334 2.185 0 40 DEAB COc1ccccc1C(=O)NCC1CCC2(CC1)OCCO2 72306532 NYFSMVVCGDIGDM-UHFFFAOYSA-N 305.374 2.358 0 40 DEAB CCn1cc(C(=O)Nc2ccccn2)c(=O)c2ccc(C)nc21 12323089 FHIBCMIOZILUAR-UHFFFAOYSA-N 308.341 2.372 0 40 DEAB CCN1CCC[C@H]1CNC(=O)CCCc1nc2ccccc2[nH]1 47470752 WCKPRAUQKFDOEX-AWEZNQCLSA-N 314.433 2.486 0 40 DEAB C[C@@H]1CN(C(=O)c2sccc2C2CC2)C[C@@H]1N1CCOCC1 72300447 HPHMEHIGMKPDFR-DOMZBBRYSA-N 320.458 2.418 0 40 DEAB COC[C@@H](O)CNc1ccnc2cc(Br)ccc12 78774599 VTQMKCFERUXGBD-JTQLQIEISA-N 311.179 2.417 0 40 DEAB CCCCn1nnnc1SCC(=O)Nc1ccc(F)cc1 4355314 IEWIAPDEQZNDGY-UHFFFAOYSA-N 309.370 2.343 0 40 DEAB CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@@H]1c1cccs1 4643520 RUCRZTUNYQTNQN-JTQLQIEISA-N 305.359 2.037 0 40 DEAB O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccn1 6403060 VUYWIFULWWNYFE-UHFFFAOYSA-N 313.342 2.257 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O 1138045 XNZWDVBVCGRABT-XFFZJAGNSA-N 309.318 2.425 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)[C@H](C)OCc1cccc(OC)c1 106068080 MENLNMNTDGFZMQ-GOEBONIOSA-N 320.433 2.201 0 40 DEAB O=C1c2ccccc2C(=O)N1CN1CCC[C@@H]1c1cccnc1 24758613 RJCFKKXXDMTNFD-MRXNPFEDSA-N 307.353 2.472 0 40 DEAB CCC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 10324593 VIQAOHLSYGWOLC-RYUDHWBXSA-N 324.446 2.316 0 40 DEAB C[C@H](c1cccc(O)c1)N(C)S(=O)(=O)N(C)[C@H](C)C1CC1 108127287 ISTVZIAULBDUDM-VXGBXAGGSA-N 312.435 2.360 0 40 DEAB Cc1ccc(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)cn1 57640836 HSSUHMWACCPBRM-UHFFFAOYSA-N 315.417 2.255 0 40 DEAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)[C@@H](C)S(C)(=O)=O 44687933 HPUXEIHYYJQGCY-ZYHUDNBSSA-N 313.419 2.151 0 40 DEAB CCN1CC[C@H](CNC(=O)NCc2nc3ccccc3s2)C1 44966207 MFPUSGRUJROIGN-GFCCVEGCSA-N 318.446 2.437 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1 24725371 LRKFWOFWKRVWGN-FZMZJTMJSA-N 311.353 2.297 0 40 DEAB O=C(Nc1ccn(Cc2cccnc2)n1)c1ccc2[nH]cnc2c1 58304712 VYWJBHHMJOZUDK-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB CC1=NN(c2ccc(C(=O)N[C@H](C)Cn3cccn3)cc2)CC1 48355275 VMQGDMRZERDTPZ-CQSZACIVSA-N 311.389 2.288 0 40 DEAB O[C@H](COCc1cccs1)Cn1cc(-n2cccc2)cn1 95438860 JNDTVFSSSXHLGP-AWEZNQCLSA-N 303.387 2.313 0 40 DEAB O=C(Cn1cnnn1)N1CC=C(c2cccc3ccccc23)CC1 63691641 LBOFNTFMXFIGHJ-UHFFFAOYSA-N 319.368 2.142 0 40 DEAB C[C@@H](CN1C(=O)N[C@](C)(C2CC2)C1=O)Oc1cccc(F)c1 97232300 YVEQCHBOYBIXIQ-MGPLVRAMSA-N 306.337 2.314 0 40 DEAB O=C(c1cn(Cc2cccnc2)nn1)N1CC[C@H]2CCCC[C@H]21 84425123 URKROUKYNUDVFL-GDBMZVCRSA-N 311.389 2.126 0 40 DEAB CON(C)C(=O)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F 65586071 HDKNVQNIFJXMSM-UHFFFAOYSA-N 318.230 2.059 0 40 DEAB O=C(COC(=O)c1ccccc1CO)Nc1cc(F)ccc1F 65591450 XHAALQNMBUBVQI-UHFFFAOYSA-N 321.279 2.253 0 40 DEAB O=C(c1cc[nH]n1)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 95448241 XPLRPGBXBRSVRO-ZDUSSCGKSA-N 308.345 2.172 0 40 DEAB CC[C@](C)(O)CNC(=O)Nc1ccc(-c2csnn2)cc1 66160993 NUMLOQYUBUYGFF-AWEZNQCLSA-N 306.391 2.488 0 40 DEAB CCC(=O)Nc1ccc2c(c1)nc(CCn1ccccc1=O)n2C 6665529 BQUYEXUWEUKJDV-UHFFFAOYSA-N 324.384 2.326 0 40 DEAB COC(=O)c1cccc(NC(=O)/C=C/c2c(C)nn(C)c2C)c1 9365385 XUHVKUGKLXURNS-CMDGGOBGSA-N 313.357 2.475 0 40 DEAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2c(c1)nnn2C 95417726 JJOSHHRWHQXLFH-SJCJKPOMSA-N 324.384 2.210 0 40 DEAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@@H]1CCC[C@H]1O 95441142 ZPXAZDMVHXVHPL-GXFFZTMASA-N 321.801 2.060 0 40 DEAB COc1ccc(C(=O)NCCNC(=O)C2CCCCC2)c(C)c1 96425035 WIVXWIWBOFMMFY-UHFFFAOYSA-N 318.417 2.430 0 40 DEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H](n2cccn2)C1 69348505 OROOMPWHOIKSQI-CQSZACIVSA-N 322.368 2.202 0 40 DEAB COc1ccc(CCC(=O)Nc2nnc(C)s2)cc1OC 8328450 QONDJVRMLROHPU-UHFFFAOYSA-N 307.375 2.435 0 40 DEAB C[C@@H](Sc1ncccn1)C(=O)Nc1ccc2c(c1)OCO2 8395283 WVFYTUFPUIZUDL-SECBINFHSA-N 303.343 2.325 0 40 DEAB CCOCCN1CCN(Cc2nnsc2Cl)C[C@H]1CC 71864822 RFTCGOZDKMKOBZ-LLVKDONJSA-N 318.874 2.124 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2csnn2)n1 71865520 SEPBICMUHUCVNK-GFCCVEGCSA-N 305.407 2.046 0 40 DEAB Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)no1 91776968 KMJFHTAEPLVRRH-QMTHXVAHSA-N 308.284 2.209 0 40 DEAB COc1cccc([C@H](CO)NC(=O)CCCc2ccccn2)c1 92192150 FAEVMLUKMQWQFO-KRWDZBQOSA-N 314.385 2.263 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)c1cc(Cl)cn1C)C2 69969582 DSFUJZHTGYWMJJ-UHFFFAOYSA-N 307.785 2.049 0 40 DEAB CC(=O)N[C@H](C)c1ccc(C2=NN=C(NC3CC3)SC2)cc1 8940284 FOYNFTWNXGCNPS-SNVBAGLBSA-N 316.430 2.443 0 40 DEAB O=C1CCN(Cc2csc(-c3ccc(F)cc3)n2)CCN1 73350285 VFYPXQQPTKITLZ-UHFFFAOYSA-N 305.378 2.271 0 40 DEAB CCN(C)C(=O)c1cccc(OCc2nnc(C)n2CC)c1 97047944 KVUDNXDHGFICAU-UHFFFAOYSA-N 302.378 2.277 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H](O)C2CC2)c(OCC2CC2)c1 88622731 ZNBMQISXTQFPCW-MRXNPFEDSA-N 318.417 2.354 0 40 DEAB CN(CCc1ccccc1)c1cc(N2CCC[C@@H]2CO)ncn1 72276143 OBSYEEBFLDYYCK-MRXNPFEDSA-N 312.417 2.117 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)no1 72294949 RBHVKGIWXKMBTA-LLVKDONJSA-N 303.366 2.244 0 40 DEAB C[C@H](NC(=O)NCCOc1ccc(F)c(F)c1)[C@H]1CCCO1 72270119 ANUSMNGBZXHFBM-IINYFYTJSA-N 314.332 2.210 0 40 DEAB Cc1n[nH]c(C)c1S(=O)(=O)N1CCc2cc(Cl)ccc21 74790401 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O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(=O)[nH]c2)s1 72243454 BGTVYXNOIIYYRI-NSHDSACASA-N 304.371 2.012 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3ccccn3c2)C1 76374100 OPTPFSAUQNIKTC-DZGCQCFKSA-N 320.414 2.025 0 40 DEAB N[C@]1(C(=O)O)C[C@H]1C(=O)OCC1c2ccccc2-c2ccccc21 71186798 UOOVYTTYBFNPLU-QFBILLFUSA-N 323.348 2.144 0 40 DEAB O=C(CCc1nc2ccccc2[nH]c1=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 72405560 LENMPHYSMROVMX-HZSPNIEDSA-N 323.396 2.184 0 40 DEAB CCCN(CC(=O)O)C[C@H](O)COCc1ccccc1Cl 563966006 FZAJCYUIEMIOLH-ZDUSSCGKSA-N 315.797 2.014 0 40 DEAB CCN(Cc1ccccc1)CC1CCN(C(=O)[C@H](C)N)CC1 79415493 BCLLBIAPZFZMHH-HNNXBMFYSA-N 303.450 2.094 0 40 DEAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCOCC1 225435190 RIISSCRSVWRDDB-JTQLQIEISA-N 320.320 2.006 0 40 DEAB biogenic,in-vitro O=S(=O)(Nc1ccc(-c2ccccc2)nn1)c1cccnc1 191036229 HLTUAISWWUYPQU-UHFFFAOYSA-N 312.354 2.339 0 40 DEAB Cc1ncsc1C(=O)N[C@H]1c2ccccc2CC[C@@H]1CO 225390525 GGIONSVYYLCIRN-TZMCWYRMSA-N 302.399 2.477 0 40 DEAB O=C(NC[C@H]1CC[C@@H](O)C1)NCC1(c2ccccc2F)CC1 195578334 VZHZIQUWPOBGLE-QWHCGFSZSA-N 306.381 2.318 0 40 DEAB CCOC(=O)Cc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1 225884364 JRSDXECEYGCMPQ-UHFFFAOYSA-N 315.373 2.395 0 40 DEAB CCS(=O)(=O)c1cc(Br)ccc1C(=O)OC 575442732 PBALAOSBWLORPS-UHFFFAOYSA-N 307.165 2.029 0 40 DEAB O=C(COc1ccc(F)c(C(F)(F)F)c1)N1CCOCC1 190525773 NDXONSRTLVYTQM-UHFFFAOYSA-N 307.243 2.082 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc1N1CCCC1=O 225213208 FSVLADYVTCXRKX-ZDUSSCGKSA-N 324.446 2.445 0 40 DEAB O=C(C[C@@H]1CO[C@@H]2CN(CC3CCCC3)C[C@H]12)NCC1CC1 96219552 MMOJTCRWUYCVRK-BRWVUGGUSA-N 306.450 2.040 0 40 DEAB O=C(c1ccco1)N1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 96042119 UDFFPHOUNJDLTN-OFQRWUPVSA-N 314.341 2.126 0 40 DEAB CCn1nnc2c1[C@@H](COC)CN(Cc1ccc(OC)cc1)C2 96060838 KKJRAUJZDNPYBC-CQSZACIVSA-N 316.405 2.052 0 40 DEAB C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1cnn(C)c1 96439240 LRLBYWNPMOUAHT-KCQAQPDRSA-N 308.426 2.376 0 40 DEAB CCS(=O)(=O)N(C)CCCNC(=O)C1CCCCCCC1 95401283 VXVYSODSTBMQDG-UHFFFAOYSA-N 318.483 2.135 0 40 DEAB CCc1ccc(CN2CCc3c(nnn3C)[C@@H]2COC)cc1 96198467 OSEGTDJXDLSRIA-INIZCTEOSA-N 300.406 2.123 0 40 DEAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046324 JTORMWGCLYNYOB-RRQGHBQHSA-N 314.389 2.434 0 40 DEAB CCn1nnc2c1[C@@H](COC)CN(C(=O)CC1=CCCCC1)C2 96045526 QCIRZXXWMDHGQI-CQSZACIVSA-N 318.421 2.261 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)c1sccc1OC(F)F 96404116 JPMJSXYQBDDHEB-UHFFFAOYSA-N 320.361 2.336 0 40 DEAB Cn1ncnc1SCc1nc(-c2ccc(F)c(F)c2)no1 97375891 BEJYPNRHHNNGEV-UHFFFAOYSA-N 309.301 2.436 0 40 DEAB COCCNC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21 96183637 AUGBKQHOVHKIND-UHFFFAOYSA-N 318.417 2.244 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(C(N)=O)cc2)[C@@H](c2ccccc2)CO1 96433391 ASQIZKXYMCLMNW-CXAGYDPISA-N 324.380 2.388 0 40 DEAB Cc1ccc(CN(C(=O)CCS(C)(=O)=O)C2CC2)cc1C 96418922 MXBAVBDORAVPOK-UHFFFAOYSA-N 309.431 2.229 0 40 DEAB CO[C@@H]1CO[C@@]2(CCN(C(=O)c3c[nH]c4ccccc34)C2)C1 96072183 DUNYMBAIDIGQOO-SJCJKPOMSA-N 300.358 2.188 0 40 DEAB Cc1ccc(CN2CCC3(CC2)C[C@H](NC(=O)C(C)C)CO3)o1 96220617 WEOLARVUKLCIJM-HNNXBMFYSA-N 320.433 2.484 0 40 DEAB O=S(=O)(NCCOc1ncccc1Cl)c1cccs1 96472852 QYKZHNUHDAMXNM-UHFFFAOYSA-N 318.807 2.154 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)CCc2ccccc2F)[C@H]1O 257268667 MMQUUFXCNOASEO-BFYDXBDKSA-N 309.381 2.145 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 257222485 DTLVIXFZNQRGLO-GFCCVEGCSA-N 323.393 2.426 0 40 DEAB CO[C@@H]1CCC[C@@H](N(C)C(=O)c2ccc3c(c2)CCC3)[C@H]1O 257289198 PXMKAHOZFCJZJQ-BRWVUGGUSA-N 303.402 2.176 0 40 DEAB Cc1cc2nc(C3CCN(Cc4c[nH]nc4C)CC3)ccn2n1 257304014 SJSMLJOHUNNNNA-UHFFFAOYSA-N 310.405 2.449 0 40 DEAB COC1=CC=C2[C@H]3Cc4ccc(OC)c5c4[C@]2(CCN3C)[C@H]1O5 100038918 FQXXSQDCDRQNQE-ZNZDAUKMSA-N 311.381 2.425 0 40 DEAB biogenic O=C(NCc1cn(-c2ccncc2)nn1)c1c[nH]c2ccccc12 575617621 VLUNUQIGSJKPIG-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB OCc1ccnc(N2CCC[C@@H](c3nc4c(s3)CCC4)C2)n1 1548453649 RWWRRVYBBLNJJN-LLVKDONJSA-N 316.430 2.298 0 40 DEAB Cc1ccc(F)cc1NC(=O)N1CCN(C[C@@H]2CCCO2)CC1 69520817 MINJGIQJUYETCE-HNNXBMFYSA-N 321.396 2.463 0 40 DEAB Cc1nc([C@H]2CCCN(c3ncc(Br)cn3)C2)no1 72273515 CKSLOHTWGCZIKD-VIFPVBQESA-N 324.182 2.315 0 40 DEAB OC[C@H]1CCCN1C1CCN(c2cnc3ccccc3n2)CC1 1776001219 FYZRFDGWAXZGBW-OAHLLOKOSA-N 312.417 2.055 0 40 DEAB CCCN(C(=O)NC[C@@H]1CCCO1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 77749591 XLYJEPFQWMOIRZ-YJNKXOJESA-N 310.438 2.401 0 40 DEAB COCc1nc2nc(SC)nn2c(N)c1-c1ccccc1 13638094 CJUIRXAXWBLOBX-UHFFFAOYSA-N 301.375 2.242 0 40 DEAB Cc1cccnc1CN1C[C@H]2[C@@H](C1)OCC(=O)N2c1ccccc1 643913148 HOQBMOPTIPZNAX-ZWKOTPCHSA-N 323.396 2.006 0 40 DEAB OC[C@]1(Cc2ccc(F)cc2)CN(Cc2cscn2)CCO1 643913878 KAJQGQBPGCGLJB-INIZCTEOSA-N 322.405 2.088 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)c1nn(C)cc1Br 2738696 WOPVHNPLEYXXMT-WPRPVWTQSA-N 300.200 2.491 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n(C)n1 41829326 KRNQOMFUEKADKP-LLVKDONJSA-N 308.382 2.067 0 40 DEAB Cc1c(C(=O)N[C@@H]2CCn3nccc3C2)cnn1-c1ccccc1 245020883 MLPNCBFXJBXIRJ-CQSZACIVSA-N 321.384 2.122 0 40 DEAB Brc1cccnc1SCc1nnnn1C1CC1 96411983 INHQMBDDGLZOEA-UHFFFAOYSA-N 312.196 2.458 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2ccc(N(C)C)nc2)c1 20373141 CDMGRCASJNBJPS-UHFFFAOYSA-N 301.346 2.417 0 40 DEAB CC(C)(C)c1ncc(N/C=C2/C(=O)NC(=O)c3ccccc32)cn1 102121181 VGFHFBXSQVYPPB-GXDHUFHOSA-N 322.368 2.497 0 40 DEAB Cc1csc(NC(=O)[C@H](NC(=O)c2ccco2)C(C)C)n1 78540476 BIOXYDQRYWNAOI-LLVKDONJSA-N 307.375 2.438 0 40 DEAB CNc1nc(N)c(C(=O)c2cc(OC)c(OC)c(OC)c2)s1 78547613 FFWMQCDEYIWMRX-UHFFFAOYSA-N 323.374 2.024 0 40 DEAB Cc1nc(NS(=O)(=O)c2ccc(N)cc2)nc(C)c1Cl 1599084 MOIYTEVLGSSSOC-UHFFFAOYSA-N 312.782 2.130 0 40 DEAB O=C(O[C@H]1CCOC1=O)c1ccc(COc2ccc(F)cc2)o1 24171921 LDCRVVPJFIALGY-AWEZNQCLSA-N 320.272 2.470 0 40 DEAB Cc1csc(N2CCN(C(=O)CCc3nccs3)CC2)n1 55226885 BSTHHSXPTMLWSN-UHFFFAOYSA-N 322.459 2.189 0 40 DEAB Nc1nnc(SCc2cc(O)n(-c3ccccc3)n2)s1 10157325 RMUHTZNANIQMDR-UHFFFAOYSA-N 305.388 2.304 0 40 DEAB CCNC(=O)c1nnsc1[S@](=O)c1ccc(Cl)cc1 1401283 PXAJDEFCXIEJBV-IBGZPJMESA-N 315.807 2.108 0 40 DEAB COCCN1CC2(CCN(C[C@H]3CC=CCC3)CC2)CC1=O 108526466 LNJXXQUOROCFAH-INIZCTEOSA-N 306.450 2.304 0 40 DEAB Cc1occc1CN(C)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 56252289 ONKRGDCSBGRTLQ-IUODEOHRSA-N 308.403 2.000 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2ccnc(C3CC3)n2)no1 72299128 INMFWNLZPRYNQK-GFCCVEGCSA-N 313.361 2.277 0 40 DEAB CN(C)C(=O)COc1ccc(NC(=O)CCc2ccco2)cc1 25658122 CACSHGUKAWOWQJ-UHFFFAOYSA-N 316.357 2.318 0 40 DEAB CCCn1nc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)ccc1=O 107309460 JZTMKUWNIDZHGZ-XDQVBPFNSA-N 303.406 2.208 0 40 DEAB O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Oc1ccc(F)cc1 12603585 TVLOOGNGZLHOCO-KBPBESRZSA-N 319.332 2.296 0 40 DEAB C(=C/c1nnc(-c2cnccn2)o1)\c1ccc2c(c1)OCCO2 48237730 YQGMDCDJFUYUAY-DUXPYHPUSA-N 308.297 2.468 0 40 DEAB C[C@@H]1COCCN1C(=O)NCc1ncc(-c2ccccc2)o1 48230129 SCFDQCZLQCWUQR-GFCCVEGCSA-N 301.346 2.272 0 40 DEAB CCN(C(=O)Cc1c(F)cccc1Cl)[C@H]1CC(O)=NC1=O 58186484 GZHATOUHMMHPAP-NSHDSACASA-N 312.728 2.126 0 40 DEAB CC(=O)c1cccc(NC(=O)Cc2c(C)nc3ncnn3c2C)c1 12750747 SJTSIAYBIONSIR-UHFFFAOYSA-N 323.356 2.125 0 40 DEAB C[C@@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCO1 44912037 UTZBFUXKUVLZLG-KOLCDFICSA-N 318.295 2.320 0 40 DEAB CC(C)=CC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 58344774 FWIPGYFMWPNOMT-UHFFFAOYSA-N 324.446 2.298 0 40 DEAB CCCCOCC(=O)N[C@H](c1ccccc1)c1nnc(C)n1C 95398480 WDSNBHZPXXHLKJ-MRXNPFEDSA-N 316.405 2.146 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)c1ccccc1)c1ccc(F)cc1 10505601 BRVYEICBQNRBPH-MRXNPFEDSA-N 322.405 2.407 0 40 DEAB Cc1cc(OCC(N)=O)ccc1NC(=O)c1cc2ccccn2c1 95397145 UMPIIPKXCBMKKO-UHFFFAOYSA-N 323.352 2.364 0 40 DEAB NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 2623323 JEMNPFGJHLXBRG-UHFFFAOYSA-N 303.318 2.362 0 40 DEAB O=C(c1ccccc1)[C@@H](O)[C@@H](c1ccccc1)N1CCOCC1 20390236 NXSMGELJGPPCGV-MJGOQNOKSA-N 311.381 2.304 0 40 DEAB Cc1cc(CNC(=O)N[C@@H]2CCN(c3ccccc3)C2)no1 72270189 XSUGPNCHHUUQEL-CYBMUJFWSA-N 300.362 2.061 0 40 DEAB COCCNC(=O)CSCc1cccc(Br)c1 66319251 DTLYUZSRSXGHON-UHFFFAOYSA-N 318.236 2.445 0 40 DEAB COCCn1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1=O 47194816 BCFJIXQGPRQREY-ZDUSSCGKSA-N 312.369 2.086 0 40 DEAB Cc1cccc(N2CCC(C(=O)NCc3cccnc3)CC2)n1 97163289 QPEMAOWCIRVBES-UHFFFAOYSA-N 310.401 2.318 0 40 DEAB O=C(C[C@H]1CCCN1C(=O)N1CCOCC1)c1ccc(F)cc1 96000338 PAZYAJOJRCHLHE-OAHLLOKOSA-N 320.364 2.315 0 40 DEAB COC1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1 38679913 PZESBZQMQZJLES-UHFFFAOYSA-N 303.337 2.467 0 40 DEAB Cn1ccnc1S[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1=O 20798865 GNSSZYXSCKLXDG-LLVKDONJSA-N 323.324 2.123 0 40 DEAB CC(C)COCCC(=O)NCC1CN(C(=O)OC(C)(C)C)C1 95447494 XOSOJCKSQAHWDK-UHFFFAOYSA-N 314.426 2.032 0 40 DEAB COc1ccc(C)cc1[C@H](O)CN[C@H](C)Cn1cc(C)cn1 71874964 CDTYKZBRRZXWQT-GDBMZVCRSA-N 303.406 2.220 0 40 DEAB COc1ccc(CNC(=O)c2ccc(-n3cncn3)cc2)cc1 8272492 WBLPRPCJRWUVTF-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB O=C(NCCCNC(=O)c1cccs1)c1ccc(F)cc1 8402253 ITMLVYYNRUPCMR-UHFFFAOYSA-N 306.362 2.437 0 40 DEAB Cc1c(N[C@H](C)C(=O)NC(N)=O)cccc1OC1CCCC1 69559308 DNWIAPIBNDVYQR-LLVKDONJSA-N 305.378 2.312 0 40 DEAB Cc1cc(C[S@](=O)CC(=O)N[C@@H](C)c2ccccc2)no1 69701801 AYOJMMJVKNMBOV-LAJNKCICSA-N 306.387 2.109 0 40 DEAB CCOC(=O)c1cnn(C(C)(C)C)c1I 95803839 FREGHPVLEPOIFA-UHFFFAOYSA-N 322.146 2.419 0 40 DEAB O=C(N[C@@H]1CCC[C@H](C(=O)O)C1)c1c(Cl)nc2ccccn12 95991871 UKZNOGIBWCTPES-VHSXEESVSA-N 321.764 2.361 0 40 DEAB CCc1nc(NCC(C)(C)S(C)(=O)=O)c2ccsc2n1 95975957 VRZLFANYEZXCKM-UHFFFAOYSA-N 313.448 2.489 0 40 DEAB CC(C)(C)NC(=O)CNc1ncnc2c1cnn2-c1ccccc1 9953570 WHNPWUCMLZBWMD-UHFFFAOYSA-N 324.388 2.142 0 40 DEAB C[C@@H](OCC1CC1)C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 75124135 TXHCEHKAPPMARQ-SSDOTTSWSA-N 304.268 2.147 0 40 DEAB NC(=O)c1csc(NC(=O)C2(c3ccccc3)CCC2)n1 75141235 ZDFCNOSSXLKHNX-UHFFFAOYSA-N 301.371 2.302 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NC(=O)N(C)C[C@H](O)C1CC1 89612015 UJJNOSGEWITYGZ-DOMZBBRYSA-N 306.406 2.477 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@]3(CCOC3)C2)C12CCC2 89985744 WOQIHYNCVOGQEF-FMKPAKJESA-N 308.422 2.156 0 40 DEAB COc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1 26952402 PLMMOCGUWBHCCC-UHFFFAOYSA-N 313.766 2.248 0 40 DEAB O=C(Nc1ccc(Cl)cn1)c1cnc2sccn2c1=O 28232923 NEXQVGVUEBKKFT-UHFFFAOYSA-N 306.734 2.057 0 40 DEAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530079629 MUEXKDAPNBUCFJ-OUCADQQQSA-N 305.378 2.051 0 40 DEAB Cc1nc([C@H](NC(=O)c2ccncc2)c2ccccc2F)no1 79351076 MOEYRAOHIUAAKN-CQSZACIVSA-N 312.304 2.432 0 40 DEAB CCO[C@H](C)c1noc(CN2CCN(CC3CCCC3)CC2)n1 75916086 VTRRNHDHXZVPDN-CQSZACIVSA-N 322.453 2.475 0 40 DEAB COc1ccc2nc(C)n(-c3ccc(C(=O)O)cc3)c(=O)c2c1 61968078 NZAZLXZHZNNQLE-UHFFFAOYSA-N 310.309 2.401 0 40 DEAB O=C(NCc1cccc2ccccc12)NCC1(O)CCOCC1 70639083 OSUQNASSQOADOL-UHFFFAOYSA-N 314.385 2.181 0 40 DEAB COCCN1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1 79335652 MRXNUUCHFRCLHK-UHFFFAOYSA-N 322.424 2.330 0 40 DEAB C[C@H]1CN(C(=O)C2=CCCCO2)c2ccccc2N(C)C1=O 73994910 HNGCAPPKVJEMBO-LBPRGKRZSA-N 300.358 2.326 0 40 DEAB COc1ccc2c(c1)CCCN(C(=O)C[C@@H](C)CC(=O)O)C2 567914957 BRFBVCIYGYBFQP-GFCCVEGCSA-N 305.374 2.471 0 40 DEAB 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O=C(NCc1cccc(Cn2cncn2)c1)[C@H]1C[C@@H]1c1ccco1 84368223 ALFUNYFJJGWSGQ-HOTGVXAUSA-N 322.368 2.339 0 40 DEAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)CC2CCCC2)CC1 85468104 ANWKGKXDMDSXKG-INIZCTEOSA-N 321.509 2.441 0 40 DEAB NC(=O)c1ccccc1COC(=O)c1cccc(-c2nnco2)c1 95942865 SDBHWUUREWYOCF-UHFFFAOYSA-N 323.308 2.193 0 40 DEAB COc1cccc(F)c1[C@H](C)NS(=O)(=O)c1cccnc1 96428536 IJCNTBUCBPXGKI-JTQLQIEISA-N 310.350 2.269 0 40 DEAB C[C@@H]1CCC[C@H]1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 12414223 AUWAPBFAZFRFCV-NZSAHSFTSA-N 318.461 2.375 0 40 DEAB CC(C)CC(=O)OCc1cc(=O)n2nc(C(C)C)sc2n1 15733979 SGMLDZOHUQXIPW-UHFFFAOYSA-N 309.391 2.364 0 40 DEAB Cc1ncc(-c2ccccn2)c(CCNC(=O)c2ccncc2)n1 19286953 RWLBPKQMIZMFAR-UHFFFAOYSA-N 319.368 2.215 0 40 DEAB Cc1nccn1CCC(=O)N1CC[C@H]2[C@H]1CCCCCN2C 19712169 OCFBRCQMQMFULY-JKSUJKDBSA-N 304.438 2.057 0 40 DEAB Cc1cccc(C(C)C)c1NC(=O)CN1CCCC[C@H]1C(N)=O 9501820 DTEVJLZQIFROIK-HNNXBMFYSA-N 317.433 2.397 0 40 DEAB O=C(NCc1n[nH]c(=O)c2ccccc12)Nc1ccc(F)cc1 4317504 NGCLLGQCAXKIBB-UHFFFAOYSA-N 312.304 2.384 0 40 DEAB COc1cccc(-c2nn3c(-c4cnccn4)nnc3s2)c1 4784125 NUJFYCNCTAFLIQ-UHFFFAOYSA-N 310.342 2.318 0 40 DEAB CC1(C)OC(=O)N(CCC(=O)Nc2ccccc2F)[C@]1(C)O 4776791 UQOQIHHUVWIGFR-OAHLLOKOSA-N 310.325 2.094 0 40 DEAB C[C@@H]1C(=O)NCCN1C(=O)c1ccc(Oc2ccccc2)cc1 12443679 GCPNYWSAMHDFDQ-CYBMUJFWSA-N 310.353 2.439 0 40 DEAB Cc1c(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)cnn1C 72255861 PYPDQQJDLBZSOC-UHFFFAOYSA-N 310.361 2.085 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@H](C)OCC(F)(F)F)s1 31712267 BTCZBVPEKDNLGI-LURJTMIESA-N 311.281 2.441 0 40 DEAB COc1ccccc1N1CC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1 101607787 GORHMGSHQKLWJA-IHRRRGAJSA-N 300.402 2.436 0 40 DEAB C[C@H]1CCCN(CCCCn2c(=O)[nH]c3ccccc3c2=O)C1 32930017 HDMOLELJYCHRQM-AWEZNQCLSA-N 315.417 2.202 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1 52781841 PPNRXPOJFYGYLM-BXUZGUMPSA-N 311.403 2.330 0 40 DEAB O=C1[C@H](Cc2ccc(O)cc2)NC(=S)N1C1CCCCC1 509885 JAVDSTPLGDVLFT-AWEZNQCLSA-N 304.415 2.353 0 40 DEAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1 796554 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O=C(Nc1ccc(F)c(Br)c1)N1CCOCC1 96435602 ZKGZOVYLJIMRQP-UHFFFAOYSA-N 303.131 2.452 0 40 DEAB CCCc1nc(CN2CCO[C@@H](Cn3cccn3)C2)cs1 69376414 SUNWYKOMYRPNMY-CQSZACIVSA-N 306.435 2.193 0 40 DEAB COc1ccc2[nH]cc(C3CCN(CCC(N)=O)CC3)c2c1 71824858 BMRIGPDMQQSNCA-UHFFFAOYSA-N 301.390 2.231 0 40 DEAB CSc1nc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c2ccccn12 71827080 VBXFJWHECVVJOX-WCQYABFASA-N 317.414 2.450 0 40 DEAB CC(C)Oc1ccc(CNC(=O)c2ccc(O)nn2)cc1F 71879555 NFDRUKPPNYXDPY-UHFFFAOYSA-N 305.309 2.039 0 40 DEAB CC(C)c1nnnn1CC(=O)N1CCC[C@@H]1c1ccsc1 71839285 YNYQNPUWNJFFPR-GFCCVEGCSA-N 305.407 2.222 0 40 DEAB CC1CCN(C(=O)[C@H](C)Nc2ccc3oc(=O)[nH]c3c2)CC1 69536308 LMUAFNASKXTDIP-NSHDSACASA-N 303.362 2.180 0 40 DEAB C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC(=O)N1 69558988 LYMQPZBPYVDYKJ-IUODEOHRSA-N 318.417 2.146 0 40 DEAB O=[N+]([O-])c1ccc(NCC/N=C(\O)c2ncccc2O)c(F)c1 71893781 GFBVOTMQQKPACT-UHFFFAOYSA-N 320.280 2.251 0 40 DEAB O=C(/C=C/c1ccco1)N[C@@H]1CC(=O)N(Cc2ccccc2)C1 71847703 UQUOAXKWIALGLD-XVJNWHFHSA-N 310.353 2.210 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@H]2c2cn[nH]c2)c(O)c1 94148959 NNDLGNVBNKFDHT-AWEZNQCLSA-N 301.346 2.491 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC[C@@](O)(C(F)(F)F)C1 98013044 XXZUVGWRXJXTDX-LBPRGKRZSA-N 323.698 2.488 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2cccn2C)cc1 8773380 UHFCQLUUDVDXHE-NSHDSACASA-N 314.341 2.412 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc2[nH]nnc2c1 72234040 JMAFAIFFAWIIPA-OAHLLOKOSA-N 324.388 2.286 0 40 DEAB Cc1ccc(-c2n[nH]cc2CNCCN2C[C@H](C)O[C@H](C)C2)o1 97159596 VUDSPKLYFLKWCR-OKILXGFUSA-N 318.421 2.177 0 40 DEAB CNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)c(Cl)c2F)C1 95993017 ZCSPOLUYUXIBLZ-QMMMGPOBSA-N 316.735 2.216 0 40 DEAB c1cc(CNc2ccc3nccnc3n2)cc(Cn2cncn2)c1 84368254 BEQWFHBYDBBOKO-UHFFFAOYSA-N 317.356 2.277 0 40 DEAB COc1ccccc1C(C)(C)CNC(=O)N[C@@](C)(CO)C1CC1 95966575 HMTDCISDILOWER-SFHVURJKSA-N 320.433 2.433 0 40 DEAB CC(C)NC(=O)C[C@@H](C)NC(=O)N(C)[C@@H](C)c1ccncc1 84597526 URUURPTULLELIN-OLZOCXBDSA-N 306.410 2.087 0 40 DEAB C[C@@H](NC(=O)N(CCO)C1CC1)c1cccc(-n2ccnc2)c1 74876537 BHVFIBXXTAVPGJ-CYBMUJFWSA-N 314.389 2.100 0 40 DEAB Cc1ncc(CNC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)s1 76085983 IZMQGIRTLMEBBT-SECBINFHSA-N 321.450 2.232 0 40 DEAB Cc1cc([C@@H](O)CNC(=O)c2ccc3c(c2)OCO3)c(C)o1 1565520102 DSUOJYWHGKHMRS-ZDUSSCGKSA-N 303.314 2.089 0 40 DEAB CNCC(=O)N1CCC[C@@H]1c1cccc(Nc2nccs2)n1 72383001 UQYBTSWOEJUNID-GFCCVEGCSA-N 317.418 2.165 0 40 DEAB CC(=O)N1CCN(c2cc(C)c([C@H](N)c3ccccc3)cn2)CC1 72223741 RKLFEANSMRVKEK-LJQANCHMSA-N 324.428 2.107 0 40 DEAB COc1ccc(CN[C@H](C)Cn2ccnc2)c(OC)c1OC 30909700 BQXWQFDYUFXZPY-GFCCVEGCSA-N 305.378 2.087 0 40 DEAB CCCn1nnnc1CN1CCC[C@@H]1C[C@H](O)c1ccccc1 76075282 AUQRPOFEBALSKN-CVEARBPZSA-N 315.421 2.171 0 40 DEAB CSC[C@H](C)N(C)C(=O)c1ccccc1Cn1cncn1 74954637 BZQMOXSJEVGKEE-LBPRGKRZSA-N 304.419 2.150 0 40 DEAB C[C@H](Oc1ccccc1Br)C(=O)NCc1cc[nH]n1 78998876 WGENUCUAZYQJJE-VIFPVBQESA-N 324.178 2.256 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 45952481 RGRMIUKLWVUEST-SECBINFHSA-N 312.163 2.365 0 40 DEAB O=C(NCCn1cccc1)c1ccnc(O[C@@H]2CCSC2)c1 225723876 OWSBFBPRLQKFPK-CQSZACIVSA-N 317.414 2.197 0 40 DEAB CCO[C@](C)(C(=O)Nc1ccc(OCCOC)nc1)C1CC1 225902210 DMOKTKHXOOYUFU-INIZCTEOSA-N 308.378 2.251 0 40 DEAB CCCCc1ccc(-n2nc(C(C)=O)cc(C(=O)O)c2=O)cc1 225966773 GFLUPJGUEVVNIH-UHFFFAOYSA-N 314.341 2.476 0 40 DEAB CNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Br 227153170 BKFAXVUYTBKBDZ-VIFPVBQESA-N 324.178 2.148 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2O)c1 96415851 ISSNUEUAPZQZOU-CABCVRRESA-N 300.362 2.216 0 40 DEAB CC(C)OC(=O)c1cccc(-c2nnn(Cc3ccccn3)n2)c1 192976036 JNQQJWOBMDNLTB-UHFFFAOYSA-N 323.356 2.349 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1cc(C2CCOCC2)[nH]n1 96431625 JNQZGGLAHAYRNU-UHFFFAOYSA-N 304.350 2.090 0 40 DEAB CC(C)N(C)Cc1nnn2c1CN(Cc1ccoc1)CCC2 96259481 ZOZAPTQSAYTFCR-UHFFFAOYSA-N 303.410 2.117 0 40 DEAB Cc1ccc(C2(CNC(=O)N3C[C@H](O)C[C@H]3C)CC2)c(C)c1 579562899 IFTIFBKSLJVHBC-HUUCEWRRSA-N 302.418 2.500 0 40 DEAB C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccnc1 96475182 IWQVDUOOTQTISV-BBRMVZONSA-N 312.373 2.401 0 40 DEAB CSCc1ccccc1NC(=O)N[C@@H]1CCc2ncnn2C1 97104120 PQCQSDITZWEMPB-GFCCVEGCSA-N 317.418 2.278 0 40 DEAB Cc1nccc(C(=O)NCCNc2ccc3ccccc3n2)n1 96426918 VCZISNWPJGZLLF-UHFFFAOYSA-N 307.357 2.175 0 40 DEAB Cc1nc([C@@H](NC(=O)c2cc[nH]n2)c2ccc(Cl)cc2)no1 92527494 QMMOMLUFWZUKPT-LBPRGKRZSA-N 317.736 2.274 0 40 DEAB CC(C)(C)OC(=O)NCCn1cnc2cc(C(=O)O)ccc21 95215908 SXLSHXGYRKRZHL-UHFFFAOYSA-N 305.334 2.259 0 40 DEAB Cn1nnc2c1[C@H](COCC1CC1)CN(Cc1ccsc1)C2 96045477 MNLFEADYJRNSQY-AWEZNQCLSA-N 318.446 2.403 0 40 DEAB Cc1cnc(-c2nnc([C@@H]3CCCCN3C(=O)C3CC3)o2)cn1 257255255 KGUNRJLGMJKDHO-ZDUSSCGKSA-N 313.361 2.299 0 40 DEAB O=C(c1nccn2cccc12)N1CCC(Cc2ncccn2)CC1 257205261 AYGMDQQVVSKLCT-UHFFFAOYSA-N 321.384 2.219 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCCN3C(=O)[C@H]3C[C@H]3C)cc2n1 253600016 CANYXXUZNCUGQX-OSMZGAPFSA-N 314.389 2.453 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc12 69872818 COHZSKFVICWZRX-LSDHHAIUSA-N 314.389 2.230 0 40 DEAB CC(C)NC(=O)CNC(=O)Nc1ccccc1Br 43132691 DJOASRXRMYIBDN-UHFFFAOYSA-N 314.183 2.095 0 40 DEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccco1 252551026 TVCSUIICDBBNFH-HAQNSBGRSA-N 305.309 2.329 0 40 DEAB O=S(=O)(c1ccccc1F)N1CCC[C@@H]1c1ccncn1 257246106 ISNARHPCYXCCFT-CYBMUJFWSA-N 307.350 2.142 0 40 DEAB CN(C(=O)c1cccnc1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257268148 MKLFEVNSFYOVDE-IKGGRYGDSA-N 312.369 2.125 0 40 DEAB CC(C)CCNC(=O)C(=O)NCc1ccc(OC(C)C)cc1 298110386 PDXOMZXFZLHQDZ-UHFFFAOYSA-N 306.406 2.252 0 40 DEAB COc1ccc(S(=O)(=O)Nc2n[nH]c(C)c2CC(C)C)cn1 390835464 OKJYGSJSSSGTMI-UHFFFAOYSA-N 324.406 2.121 0 40 DEAB Cc1cc(CN(C)CC(=O)NCC2(c3ccccc3)CC2)no1 29728663 YFXOEKFXLSZNME-UHFFFAOYSA-N 313.401 2.263 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2Cc2nc3ccccc3c(=O)[nH]2)c1 69924788 NHVCQYBNJRFUEG-AWEZNQCLSA-N 323.400 2.093 0 40 DEAB O=C(NCCOc1ccccc1)NC[C@H](O)C1CCCCC1 69225787 OWXGYSIETSBEGP-INIZCTEOSA-N 306.406 2.306 0 40 DEAB COC(=O)CNc1ccc(C(=O)NCc2ccccc2F)cc1 55868458 SRKAURIVAVTLAD-UHFFFAOYSA-N 316.332 2.341 0 40 DEAB CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cc[nH]c(=O)c1 95436488 QWQFIOPSCKWNEF-UHFFFAOYSA-N 313.401 2.015 0 40 DEAB O=c1[nH]cnc2ccc(NC(=S)NCc3ccco3)cc12 5491260 WAPVIQYYSCSBRJ-UHFFFAOYSA-N 300.343 2.003 0 40 DEAB Cc1cccnc1NC(=O)Cn1cnc(-c2ccccc2)cc1=O 13806293 JSJWNHIMCRLXIT-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB COc1ccc([C@H]2[C@H](N)[C@@H](c3ccccc3)Nc3ncnn32)cc1 169619929 QAKWCDKFQTULHZ-ZACQAIPSSA-N 321.384 2.370 0 40 DEAB C[C@H]1CN(CC2CCOCC2)C[C@@H](C)N1CC1CCOCC1 187111974 DNJWMKHDFFASAJ-IYBDPMFKSA-N 310.482 2.234 0 40 DEAB O=C1OCC/C1=C/OCCCCCCO/C=C1/CCOC1=O 5201482 NRQWKXBEBCJMGJ-XSYHWHKQSA-N 310.346 2.242 0 40 DEAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1ccc2[nH]cnc2c1 153712252 HFICFCVWESKJMF-CQSZACIVSA-N 321.384 2.357 0 40 DEAB CN(C)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 2623682 MASNSULAZKPWGK-UHFFFAOYSA-N 302.403 2.325 0 40 DEAB C[C@@H](c1ccccc1)N1CCO[C@H](C(=O)N2CCSCC2)C1 1888864283 GLTWPQIUAPGDJP-HOCLYGCPSA-N 320.458 2.024 0 40 DEAB Cc1cc(C)n(CCNC(=O)c2cc(=O)c3ccccc3o2)n1 44158891 DXUFSPVYEJFEJX-UHFFFAOYSA-N 311.341 2.036 0 40 DEAB CCOc1ncccc1C(=O)NC[C@H](C)Cn1nc(C)cc1C 40541169 PQEWZRHUVNNNBF-LBPRGKRZSA-N 316.405 2.360 0 40 DEAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nncn1C 40512110 XFVRBKUVIVEUNF-LBPRGKRZSA-N 316.405 2.196 0 40 DEAB CCCN1[C@H]2CC[C@H]1CC(C(=O)N(CCC(=O)OC)C(C)C)C2 101434122 INJLURQRTRBQPM-HOTGVXAUSA-N 324.465 2.440 0 40 DEAB COC[C@@H](C)NC(=O)c1c(C)nn(-c2ccc(F)cc2)c1C 21187889 CEFQPSLJACREJT-SNVBAGLBSA-N 305.353 2.393 0 40 DEAB O=C(NCC(=O)N1CCc2ccccc21)c1ccc(F)cc1F 21278910 WHKYKZUAGRIMHO-UHFFFAOYSA-N 316.307 2.284 0 40 DEAB COc1cc(OC)c(C(=O)NCc2cccnc2)cc1OC 365337 JONAILBOUHKZJR-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1ccccc1S(C)(=O)=O 41820612 INZBVMMEIZXKSV-GFCCVEGCSA-N 321.398 2.434 0 40 DEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NC[C@@H]1CCCO1 22620906 DCLIMGWRKYQEAO-ZDUSSCGKSA-N 302.378 2.229 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](c1ccccc1)N(C)C 22622929 YCEPLTNFZNOONT-ZDUSSCGKSA-N 304.419 2.133 0 40 DEAB Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)NC(C)C 12451014 RYLCCDUQJYJPPQ-UHFFFAOYSA-N 314.385 2.260 0 40 DEAB C[C@@H]1COC2(CCN(C(=O)[C@]3(C)CC3(Cl)Cl)CC2)O1 78846250 LMRDCQWSYNTMPM-KOLCDFICSA-N 308.205 2.324 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](NC(=O)c3ccoc3)C2)c1 78998608 WQAZAHDAIHOBNH-ZDUSSCGKSA-N 316.357 2.306 0 40 DEAB CN(C)c1ccccc1CNC(=O)Cn1ncc2ccccc21 79064626 GSYYHRDDOZDAKD-UHFFFAOYSA-N 308.385 2.419 0 40 DEAB COc1cccc(/C=C/C(=O)N[C@@H](C)CO[C@@H]2CCOC2)c1 79057689 JQYCVIQDKPPICQ-JQBOLYQISA-N 305.374 2.019 0 40 DEAB COC(=O)C1CCN(C(=O)C[C@H](C)Nc2ccccc2)CC1 97084534 OFHQVGBSLDZAOW-ZDUSSCGKSA-N 304.390 2.289 0 40 DEAB CSc1nc2ccc(NC(=O)[C@@H](C)NC(N)=O)cc2s1 25261047 RNANNGLSOHXSFK-ZCFIWIBFSA-N 310.404 2.014 0 40 DEAB CN1CC[C@](O)(c2ccccc2)[C@H](CCC(=O)N2CCCC2)C1 4429005 HEPIYVBFOFFFNE-MJGOQNOKSA-N 316.445 2.229 0 40 DEAB Cc1nnc(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)[nH]1 6455877 LGNQNEMDSIAHNJ-POHAHGRESA-N 306.303 2.239 0 40 DEAB Cc1ccc(NC(=O)CN(C)[C@H](C)C(=O)NC2CCCC2)cc1 7390732 GPXGYHXVUIOMPD-CQSZACIVSA-N 317.433 2.313 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccnc2S)n1 47918579 SKWNBFBZRLJXQD-JTQLQIEISA-N 304.419 2.250 0 40 DEAB Cc1cccc(N(CC(=O)N2CCC[C@H](C)C2)S(C)(=O)=O)c1 10541315 CTNGNQPAOLKUPN-AWEZNQCLSA-N 324.446 2.020 0 40 DEAB O=S(=O)(/C=C/c1ccco1)NCc1ccc2c(c1)OCO2 1398432 DQFPAYKRFIEEEL-FNORWQNLSA-N 307.327 2.099 0 40 DEAB C[C@@H]1CN([C@H](CNCc2ncc[nH]2)c2cccs2)CCO1 106910343 PLBBJZPHIIPILA-CHWSQXEVSA-N 306.435 2.023 0 40 DEAB O=C(COC(=O)c1ccc(F)cc1)NCCc1ccc(F)cc1 3237637 QIMQQBGMYPLLBI-UHFFFAOYSA-N 319.307 2.481 0 40 DEAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1cnccn1 55944096 LBEJQFJFIHZENZ-GJZGRUSLSA-N 301.321 2.266 0 40 DEAB CC[C@@H](C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(N)=O)on1 72295297 RJJMBRAHQZOXKF-RISCZKNCSA-N 315.373 2.015 0 40 DEAB CCCOc1ccc(CNC(=O)NCc2ccncc2)cn1 72271531 NOWZBQAPQXZNIJ-UHFFFAOYSA-N 300.362 2.265 0 40 DEAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCC[C@H](C(=O)O)C1 35105644 WKHDPFOTIHCPEB-NHYWBVRUSA-N 316.357 2.399 0 40 DEAB CN1CC[C@@H](C(=O)Nc2cccc(OC(F)(F)F)c2)CC1=O 44381510 MZOLTSJSWSIWLS-SECBINFHSA-N 316.279 2.392 0 40 DEAB O=C1CC[C@H](C(=O)Nc2ccc(OC3CCCC3)c(F)c2)N1 72297715 NBHYWECECQUNTR-CYBMUJFWSA-N 306.337 2.364 0 40 DEAB CS(=O)(=O)CCCC(=O)n1cccc/c1=N\C1CCCCC1 108684161 OOJTYYXETXBSGC-BMRADRMJSA-N 324.446 2.187 0 40 DEAB C[C@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)C[C@@H](C)O1 48253398 HIRFLLAHDCUCOX-TXEJJXNPSA-N 321.352 2.397 0 40 DEAB CCCS(=O)(=O)NCCc1ccc(OC)c(OC(F)F)c1 58290738 UXEKXVSBSMECKM-UHFFFAOYSA-N 323.361 2.169 0 40 DEAB Cc1cc2n(n1)C[C@H](CNCc1ccc(-n3ccnc3)cc1)CN2 58299946 TVMDSIFGGFPVKA-MRXNPFEDSA-N 322.416 2.209 0 40 DEAB CC(C)N1CCC[C@H](CNC(=O)[C@@H]2Cc3ccccc3O2)C1 58393793 IKWUGCLBQXSMFZ-PBHICJAKSA-N 302.418 2.227 0 40 DEAB CCCN(C)c1ccc(C(=O)N(C)CC(=O)N2CCCC2)cc1 58421437 OZANFVLPZRYBPJ-UHFFFAOYSA-N 317.433 2.227 0 40 DEAB CCN(CC)c1ncc(Cl)c(C(=O)N[C@@H](C)[C@@H](C)OC)n1 97105099 YZEPDLNHWUPUHE-VHSXEESVSA-N 314.817 2.129 0 40 DEAB COC[C@@H](C)NC(=O)CSc1nccn1-c1ccccc1C 10881228 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Cc1cc(C(=O)CSc2nnnn2Cc2ccco2)c(C)[nH]1 23184950 CARUNMYPIYSLOV-UHFFFAOYSA-N 317.374 2.234 0 40 DEAB Cc1c(Cl)c(C(F)F)nn1CC(=O)NC[C@@H]1CCCO1 2779187 XEJLIGHTWPJUQY-QMMMGPOBSA-N 307.728 2.078 0 40 DEAB CCNC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl 49058108 ORZZFJOTLYFZGC-QMMMGPOBSA-N 307.177 2.052 0 40 DEAB CCOC(=O)C1CCN(c2ncc(Cn3ccnc3)s2)CC1 4024737 LDPKTEJJLCJTND-UHFFFAOYSA-N 320.418 2.167 0 40 DEAB CC(C)(C)OC(=O)N1CC2(CO[C@H]3Cc4ccccc4[C@H]3N2)C1 306145935 WLTFFQNGTIKNTJ-LSDHHAIUSA-N 316.401 2.262 0 40 DEAB CCCCN(CC(N)=O)C(=O)Cc1c(C)[nH]c2ccc(C)cc12 49743788 QKKFUBJDDHVGDS-UHFFFAOYSA-N 315.417 2.441 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccncc1 5061687 ZVFIFTMQZJYWKN-LLVKDONJSA-N 300.314 2.274 0 40 DEAB COc1ccc([C@@H](CC(=O)Nc2cccnc2)NC(C)=O)cc1 9338951 HNHYMXXWJOPOBI-MRXNPFEDSA-N 313.357 2.296 0 40 DEAB C/C=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)c(OC)c1 6402157 KPUXWZLHZADZFX-KQIUPUNMSA-N 305.374 2.402 0 40 DEAB Cn1c(O)c(C(=O)Nc2cccc(O)c2)c(=O)c2ccccc21 6557237 KWILULVWFPCIIW-UHFFFAOYSA-N 310.309 2.202 0 40 DEAB Cc1cccc(OCC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 6599718 KVKDPXWBTWQMEN-UHFFFAOYSA-N 319.382 2.416 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCN(c3cnccn3)CC2)cc1 25833063 OSXYOSAKTDJHBK-VOTSOKGWSA-N 308.385 2.147 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2cc(C)on2)c1C 7824363 QKRYVKQZBFKNSN-UHFFFAOYSA-N 306.318 2.462 0 40 DEAB COC[C@@H](C)N1C[C@@H](C(=O)Nc2ccccc2Cl)CC1=O 8235023 HRCZRYQDOMBGHH-MNOVXSKESA-N 310.781 2.162 0 40 DEAB CC(C)[C@H](NC(=O)N1CCC[C@@H](C)C1)c1nnc2n1CCC2 70039143 XOJVQFDILDTPCQ-OCCSQVGLSA-N 305.426 2.363 0 40 DEAB Cc1ccccc1C(C)(C)CNC(=O)N[C@@H](C)c1nncn1C 69325787 MEXVWKPCCXVINO-ZDUSSCGKSA-N 315.421 2.462 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 69420453 SDOZBHKDGQWZOB-ZFWWWQNUSA-N 302.374 2.243 0 40 DEAB CN(C)CCn1cc(NC(=O)/C=C/c2c(F)cccc2F)cn1 69534151 SJZOCROBKOZSOA-VOTSOKGWSA-N 320.343 2.375 0 40 DEAB c1ccc2cc(OCCN[C@H]3CCc4ncnn4C3)ccc2c1 69740387 SIHINIBAHRMQEH-INIZCTEOSA-N 308.385 2.415 0 40 DEAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(F)(F)C(F)F)C1=O 69780503 JSDPUPVRQXPWLY-LBPRGKRZSA-N 322.233 2.493 0 40 DEAB Cc1ncc(Cl)c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)n1 71916794 INTLEBLZIURXOB-QWRGUYRKSA-N 310.829 2.289 0 40 DEAB CC[C@H](Nc1ccc2c(c1)CCN2C(=O)c1ccoc1)C(N)=O 71902671 WJYNKLTXIXLBAG-AWEZNQCLSA-N 313.357 2.158 0 40 DEAB CCC(O)(CC)CNC(=O)C(=O)Nc1cc(F)ccc1Cl 69878564 IZQRWTKZOFSZHM-UHFFFAOYSA-N 316.760 2.085 0 40 DEAB CCc1nc(NC(=O)CN2CC(n3cc(C)cn3)C2)sc1C 69899182 BZCLSERJUNMDKA-UHFFFAOYSA-N 319.434 2.014 0 40 DEAB CCCc1nnc(S)n1CC(=O)NCc1cccc(Cl)c1 9884541 PYHJPQIFQNOZJO-UHFFFAOYSA-N 324.837 2.489 0 40 DEAB C[C@H](CNC(=O)NCC1C2CC3CC(C2)CC1C3)[S@@](C)=O 95978257 GKOMCEZLWOGINP-LCXJMQSOSA-N 312.479 2.125 0 40 DEAB CC(C)(C)NC(=O)N1CCC(NC(=O)C[C@@H]2C=CCC2)CC1 95983097 VCDJOVSXVVSLLB-CYBMUJFWSA-N 307.438 2.431 0 40 DEAB COc1c(Cl)cc(Cl)cc1CN1CC[C@@H](C(N)=O)C1 95982242 VCXJETOZXWIRSV-MRVPVSSYSA-N 303.189 2.309 0 40 DEAB CSC[C@H](C)C(=O)NC[C@@H]1COC2(CCC(C)CC2)O1 95991664 OFLHKZBSZGGLGX-SBEAFCBVSA-N 301.452 2.424 0 40 DEAB Cc1nc(C)n(-c2ccccc2NC(=O)Nc2cnn(C)c2)n1 89260445 LTBLYMLYQRVWRK-UHFFFAOYSA-N 311.349 2.262 0 40 DEAB CS[C@H]1CCCC[C@H]1NC(=O)NCCCc1nc(C)no1 76018885 HNHYARVCQFOJSN-NEPJUHHUSA-N 312.439 2.284 0 40 DEAB O=C1NCCCC[C@@H]1NCc1cccc(OC(F)(F)F)c1 76396551 QVJJEPRYIYIINE-LBPRGKRZSA-N 302.296 2.344 0 40 DEAB COc1cc(Cl)cc2c1OC=CC(C(=O)N1CCOCC1)=C2 21797856 YKKQLCLIDAXLPI-UHFFFAOYSA-N 321.760 2.497 0 40 DEAB CCCOCc1c(I)cnn1CCF 408717195 WUIMEYYEKIKZCE-UHFFFAOYSA-N 312.126 2.384 0 40 DEAB O=C(O)CCc1nc(-c2ccc(OC[C@@H]3CCCO3)cc2)no1 72228381 DZOGXDYTXHUCEA-ZDUSSCGKSA-N 318.329 2.312 0 40 DEAB O=C(NCc1ccco1)[C@@H]1CCC(=O)N1Cc1cccs1 72239708 QLIYHKJJHZTEBG-ZDUSSCGKSA-N 304.371 2.149 0 40 DEAB Cc1ccnc2ccc(C(=O)NC3(c4nn[nH]n4)CCCC3)cc12 556843129 STZHGZSDHHYOEX-UHFFFAOYSA-N 322.372 2.256 0 40 DEAB COc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)OCO3)cc1 74915951 ONTSYXZYEQZOHF-UHFFFAOYSA-N 321.354 2.249 0 40 DEAB CCc1ccc(C(=O)NCc2nnc(C)n2C2CC2)c(O)c1 189249516 SZDPOHLEZHWIBF-UHFFFAOYSA-N 300.362 2.119 0 40 DEAB CCOCc1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 71195468 GVSXWMZUKYIYDG-STQMWFEESA-N 313.419 2.021 0 40 DEAB COc1cccc(OC)c1CNS(=O)(=O)c1ccccc1 33897849 WQCDRPODDDYCIC-UHFFFAOYSA-N 307.371 2.182 0 40 DEAB O=C(NCc1nnn[nH]1)OCC1c2ccccc2-c2ccccc21 70915907 LNMWKUOAUJWUPR-UHFFFAOYSA-N 321.340 2.238 0 40 DEAB C[C@H](Nc1ccc(S(N)(=O)=O)cc1C(=O)O)c1ccccc1 217535449 FEXBBMLGSIWSBQ-JTQLQIEISA-N 320.370 2.205 0 40 DEAB Cc1csc(S(=O)(=O)N[C@@H]2CNC[C@H]2c2ccccc2)c1 563673442 RCCCGUKORLSBGU-UONOGXRCSA-N 322.455 2.090 0 40 DEAB Fc1cccc(-c2nnc3sc(Cn4cccn4)nn23)c1 40288476 ZVVOPKVHAIKKBC-UHFFFAOYSA-N 300.322 2.237 0 40 DEAB CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H](C)C(N)=O 225462135 SMECCFVOCGEODM-ONGXEEELSA-N 316.323 2.264 0 40 DEAB Cc1nccn1C[C@H]1CCCN1c1cc(NCC2CC2)ncn1 225597735 SNASJEHZJYDJGB-OAHLLOKOSA-N 312.421 2.472 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c1 41194684 MQELSIARBHVHKV-CVEARBPZSA-N 305.374 2.487 0 40 DEAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1OC 225633617 MGJQMEAQZZRVME-WVATUKLVSA-N 313.353 2.405 0 40 DEAB C[C@]1(C(=O)NCCc2cccs2)Oc2ccccc2NC1=O 40776478 GZSCASDIPUTFNQ-MRXNPFEDSA-N 316.382 2.197 0 40 DEAB CN1CCN(Cc2cccc(NCc3ccc(CO)o3)c2)CC1 80196408 BTSHZVXJFULLKH-UHFFFAOYSA-N 315.417 2.131 0 40 DEAB COC(=O)c1nc(Cl)c(N2CCCC2)nc1Br 225748873 HSPHEOKCGXPMJC-UHFFFAOYSA-N 320.574 2.279 0 40 DEAB c1cncc(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)c1 96058086 BXZLVSHFZNMXKY-BZSNNMDCSA-N 311.385 2.287 0 40 DEAB Cc1cccc(OC(F)F)c1NS(=O)(=O)c1cn[nH]c1C 96450996 JVUREEDBVBOVEF-UHFFFAOYSA-N 317.317 2.429 0 40 DEAB CCS[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)C(C)(C)C 96456081 YHGPZQSBPMWMFA-VXGBXAGGSA-N 300.468 2.329 0 40 DEAB C[C@@H](NC(=O)N1CCC(CCCN(C)C)CC1)[C@H]1CCOC1 96487636 CFIBVJKOKVVGAC-ZBFHGGJFSA-N 311.470 2.175 0 40 DEAB COc1cc(C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)ccc1Cl 230461597 UBHGCVQZFGIGMQ-ARNPGYACSA-N 315.822 2.330 0 40 DEAB CC(C)(C)N(CCS(C)(=O)=O)C(=O)c1ccc2c(c1)CCC2 97100991 DKYJXCCTHRTVAK-UHFFFAOYSA-N 323.458 2.461 0 40 DEAB c1ccc(N2CCC[C@@]3(CN(Cc4cccnc4)CCO3)C2)nc1 96226375 FFLFFEJYWQKWOY-LJQANCHMSA-N 324.428 2.348 0 40 DEAB COCCC1(C(=O)Nc2cccc(-c3ncn(C)n3)c2)CC1 96501718 VPCAOJBTRYGETL-UHFFFAOYSA-N 300.362 2.237 0 40 DEAB c1ccc(O[C@@H]2CN(CC3CCOCC3)[C@@H]3CCCO[C@H]23)nc1 96042607 RACTXDBLIGAEKP-NUJGCVRESA-N 318.417 2.119 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CN2C[C@H](C)OC[C@H]2C)c(C)c1 245225298 RRHWYPLOTTVQFJ-KGLIPLIRSA-N 319.405 2.061 0 40 DEAB Cc1nc[nH]c1CN1CCC(c2cc(C)n3nccc3n2)CC1 257201465 AHUYILZBNPWSMM-UHFFFAOYSA-N 310.405 2.449 0 40 DEAB CN(C)c1ccc([C@@H](O)CNC(=O)NCc2cccs2)cc1 90611987 YPIIBPNZIQBORM-HNNXBMFYSA-N 319.430 2.347 0 40 DEAB Cc1cc(C(=O)NCc2ccnc(N3CCCC3=O)c2)c(C)o1 575609350 WJTBWVKFMINNBI-UHFFFAOYSA-N 313.357 2.348 0 40 DEAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)c1ccc[n+]([O-])c1 54034402 YDHLNFKWTQEXFW-INIZCTEOSA-N 314.341 2.130 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-n2ccnc2)c1 58244544 UPMRFSPECQBCKN-GFCCVEGCSA-N 324.340 2.222 0 40 DEAB CCc1ccc(N2CCN(C(=O)C3CCN(C)CC3)CC2)cc1 74177778 ATZTVIKWNPGBCB-UHFFFAOYSA-N 315.461 2.239 0 40 DEAB O=C(O)C[C@@](O)(c1nccn1Cc1ccccc1)C(F)(F)F 38342330 OPHSJZHBGVPCBO-CYBMUJFWSA-N 314.263 2.156 0 40 DEAB in-vitro CC(C)(C)c1n[nH]c([C@H]2CN(C(=O)CCC3CC3)CCO2)n1 78890101 MNRPVMJUEQVXBC-GFCCVEGCSA-N 306.410 2.192 0 40 DEAB CCc1ccc2occ(C(=O)NC[C@@H]3CCN(C(N)=O)C3)c2c1 514633746 LOLZNHSIYIGAAC-LBPRGKRZSA-N 315.373 2.126 0 40 DEAB O=C(O)c1ccc(N(C[C@H](O)c2ccc(F)cc2)C2CC2)nn1 1548451879 WXTUXKYVOMNFEX-AWEZNQCLSA-N 317.320 2.016 0 40 DEAB COc1ccc2cc(C)c3nn(Cc4cccnc4)c(=O)n3c2c1 12117625 GRFXXVFNCFZQFV-UHFFFAOYSA-N 320.352 2.410 0 40 DEAB CC1=C(C(N)=O)C(c2cccc3ccccc23)C(C(N)=O)=C(C)N1 19418622 JUBLECKRAKSSJJ-UHFFFAOYSA-N 321.380 2.045 0 40 DEAB CSc1ccc(CCC(=O)N2CC[C@H](n3ccnn3)C2)cc1 206928544 VLQYCMZUUVZFNM-AWEZNQCLSA-N 316.430 2.406 0 40 DEAB COc1cncc(O[C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)n1 225499003 HKALDQGJBFYGAC-ZIAGYGMSSA-N 317.389 2.211 0 40 DEAB Cc1ccccc1C[C@@]1(CO)CN(Cc2cscn2)CCO1 643914609 RZGGKFCDMLXIPW-KRWDZBQOSA-N 318.442 2.258 0 40 DEAB C[C@@H](NC(=O)c1ccc(=O)n(C)n1)c1ccc2c(c1)CCCC2 19458823 FJHVYSGANQPYHE-GFCCVEGCSA-N 311.385 2.150 0 40 DEAB FC(F)(F)c1nnc2c3ccccc3c(-n3ccnc3)nn12 56383 FUUCPEGTNDDZTB-UHFFFAOYSA-N 304.235 2.482 0 40 DEAB CCN(C(=O)c1cnc2n(c1=O)CCS2)c1cccc(C)c1 211381 BKZYDWIRXYBBNN-UHFFFAOYSA-N 315.398 2.324 0 40 DEAB COc1nn(C)cc1C(=O)NCc1ccc(-c2ccco2)o1 575608992 MRPNDEFWEAPWOM-UHFFFAOYSA-N 301.302 2.212 0 40 DEAB Cc1cc(N2CCC[C@@H](NS(C)(=O)=O)C2)nc2ccccc12 131436991 OWMYGXDVNSDDQO-CYBMUJFWSA-N 319.430 2.061 0 40 DEAB O=C1OCCN1Cc1nc(-c2ccc3c(c2)OCO3)cs1 30448109 JBZZZOZYVBJRAN-UHFFFAOYSA-N 304.327 2.491 0 40 DEAB CCC(C)(C)C1CCC(NC(=O)CC[C@H]2NC(=O)NC2=O)CC1 31172068 RKXAWKRQWHHYJS-WXRRBKDZSA-N 323.437 2.086 0 40 DEAB CCN(CC)CCSc1nc2ccccc2c2nnnn12 40555392 OQLPTPKRMJFQBN-UHFFFAOYSA-N 302.407 2.106 0 40 DEAB CCC[C@@H](NC(C)=O)C(=O)Nc1cccc(-c2ccn[nH]2)c1 40556162 AAZMPTBSOFUCPO-OAHLLOKOSA-N 300.362 2.320 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)NC1CCCCCC1 309877 BZZJXLCKMHCDFB-UHFFFAOYSA-N 300.358 2.122 0 40 DEAB CC(=O)N[C@@H]1SC(c2ccccc2)=N[C@@]1(O)c1ccccc1 338785 BCXXUSGPERBYHH-IAGOWNOFSA-N 312.394 2.488 0 40 DEAB O=C(Cc1noc2ccccc12)NC[C@H]1COc2ccccc2O1 32747509 PVSUGOBPNSNPQE-LBPRGKRZSA-N 324.336 2.327 0 40 DEAB O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NCc1ccco1 21897262 XBVTULZFICYREX-UHFFFAOYSA-N 316.401 2.228 0 40 DEAB O=C(C1CC1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 269782 APOIGZGQSRZXRJ-CYBMUJFWSA-N 316.254 2.423 0 40 DEAB O=C(N[C@H]1CCCOc2ccc(F)cc21)c1ccc[nH]c1=O 54283696 QXIQZHUIZIKYEX-ZDUSSCGKSA-N 302.305 2.158 0 40 DEAB Cc1cnc2c(S(=O)(=O)Nc3ccn(C)n3)cccc2c1 23371885 DGBRGDCPYSCGKC-UHFFFAOYSA-N 302.359 2.078 0 40 DEAB C[C@H](C(=O)NOCc1ccccc1)n1nnc(-c2ccccc2)n1 79329507 FDUKGCNDDZTKBC-CYBMUJFWSA-N 323.356 2.149 0 40 DEAB Cc1nn(CCC(=O)N(C)Cc2cnn(C)c2C)c(C)c1Cl 2780221 RZXLFFXPFVDHNE-UHFFFAOYSA-N 323.828 2.244 0 40 DEAB CC(C)COCCC(=O)N[C@@H](C)c1ccc2c(c1)NC(=O)CO2 42917153 MYQYSWBIHNEDAN-LBPRGKRZSA-N 320.389 2.257 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)n[nH]2)cc1 6268940 KLIUUFFASQSCKP-QMMMGPOBSA-N 320.374 2.019 0 40 DEAB Cc1ccc(NC(=O)CN(C)[C@@H](C)C(=O)NC2CCCC2)cc1 7390729 GPXGYHXVUIOMPD-AWEZNQCLSA-N 317.433 2.313 0 40 DEAB Cc1ccccc1N(C(=O)C(F)(F)F)[C@H]1C=CS(=O)(=O)C1 1295403 LIEIRVLCPZSXOU-JTQLQIEISA-N 319.304 2.201 0 40 DEAB CC(C)=CC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1=O 95397789 INTGYQUARBLDHP-NSHDSACASA-N 324.327 2.476 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H](c3nc(C)no3)C2)cs1 55320040 IYUHIJZOGGWSDO-NSHDSACASA-N 320.418 2.346 0 40 DEAB O=C1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)N1 106766715 FDGLWBPSXBYFQW-BZUAXINKSA-N 300.402 2.183 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@H]2COc3ccccc3O2)s1 8327185 QXUDJKWQSQGTJF-LLVKDONJSA-N 319.338 2.313 0 40 DEAB CNc1cc(N2CCC[C@@H]2CN[C@H](C)c2cccnc2)ncn1 95351540 ZTJFVDHKBCYVFM-UKRRQHHQSA-N 312.421 2.233 0 40 DEAB O=C(c1ccco1)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 107519989 PTRGJZBODSWKNQ-NVXWUHKLSA-N 312.369 2.005 0 40 DEAB Cc1ccccc1CN1CCc2cc(S(N)(=O)=O)ccc21 9117764 GZJUIZCFWYYJKD-UHFFFAOYSA-N 302.399 2.205 0 40 DEAB Cc1nc2c(cnn2-c2cccc(Br)c2)c(=O)[nH]1 35778771 OQCYRTXMSZFCPA-UHFFFAOYSA-N 305.135 2.180 0 40 DEAB Cc1cc(C)n(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)n1 44890516 PJVAHBIDSYTAAM-HNNXBMFYSA-N 316.405 2.046 0 40 DEAB C[C@H](c1nc(C(C)(C)C)no1)N1CCN(c2cnccn2)CC1 27638698 LJQGMSIGVKJWLC-GFCCVEGCSA-N 316.409 2.040 0 40 DEAB O=C(c1ccc[nH]1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 107195597 RPGFYKYXFOXRBB-HNNXBMFYSA-N 323.396 2.151 0 40 DEAB C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1nnc2ccccn12 58213132 XSQUWIFBOVAEPV-GFCCVEGCSA-N 320.352 2.383 0 40 DEAB CC(C)c1ccc(CCC(=O)NC[C@H]2CN(C)CCO2)cc1 58412191 VDXXRCCUDUPGNE-KRWDZBQOSA-N 304.434 2.189 0 40 DEAB Cc1cnc2c(S(=O)(=O)N[C@H](C)[C@@H]3CCCO3)cccc2c1 28327610 CQWWPWGRIPRECF-OCCSQVGLSA-N 320.414 2.389 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CN(C)CCN2C(=O)NC(C)(C)C2=O)o1 48303269 QYJDGHXPTQPCTO-YPMHNXCESA-N 319.405 2.165 0 40 DEAB C[C@@H](CNC(=O)c1c(F)cccc1Cl)CN1CCCC1=O 60131442 PTYOOCPKZBMFAB-JTQLQIEISA-N 312.772 2.467 0 40 DEAB Cc1cc(C(=O)NCCCC(N)=O)c(C)n1Cc1ccccc1 46973252 KITYWXQKXICXHF-UHFFFAOYSA-N 313.401 2.149 0 40 DEAB Cc1oc2ncn(Cc3cccc(F)c3F)c(=O)c2c1C(=O)O 13057732 SKRGZEYUTVJHON-UHFFFAOYSA-N 320.251 2.323 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)N)cc1F 63194061 GLRPRRNCOSNCKW-RISCZKNCSA-N 300.399 2.025 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(OC)cc1)CC2 93614141 NSVMRWNXWCNYGE-DLBZAZTESA-N 305.418 2.447 0 40 DEAB COCCCNC(=S)Nc1ccn(Cc2ccccc2F)n1 13752466 UNBVMIGIWKIFET-UHFFFAOYSA-N 322.409 2.393 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)c1ccc(-n2cccc2)cc1C 65594444 NWTBFAYWXHEQNY-AWEZNQCLSA-N 313.401 2.430 0 40 DEAB CC(C)c1nc2ccc(NC(=O)CCNC(N)=O)cc2s1 84631197 SGRJPKVPSAUXDU-UHFFFAOYSA-N 306.391 2.417 0 40 DEAB O=C1CN(C(=O)CN2CCc3ccccc32)c2ccccc2N1 5638227 LWJVGKFWGANZQH-UHFFFAOYSA-N 307.353 2.034 0 40 DEAB CC(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2F)CC1 84753017 QCLLLCQBBAYWFV-CABCVRRESA-N 304.365 2.056 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)no1 67885112 ZBMIVYJKTWATNU-QWHCGFSZSA-N 307.394 2.297 0 40 DEAB C[C@@H]1CN(CCC(=O)N2CCc3ccccc32)CC(C)(C)O1 68476305 CLPNDQAHALWMGP-CQSZACIVSA-N 302.418 2.465 0 40 DEAB COc1cc(CCC(=O)N[C@H](CC(C)C)C(=O)O)cc(OC)c1 95427726 XQQDUMRRSMNMEX-OAHLLOKOSA-N 323.389 2.252 0 40 DEAB Cc1cc(C[S@](=O)[C@H](C)C(=O)N(C)c2ccccc2)on1 71859065 GERHUIVXQHVOFN-XUSGNXJCSA-N 306.387 2.283 0 40 DEAB Cc1nc(CNC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)cs1 69369056 IZLVNUIUOCOKJA-MNOVXSKESA-N 324.450 2.040 0 40 DEAB COCCN(C)CCCNC(=O)Cc1ccccc1OC(C)C 69417441 BFQHNBLZRQGGTJ-UHFFFAOYSA-N 322.449 2.101 0 40 DEAB CCNC(=O)CN(CC)C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1 69454374 RCIANZWRVMHLAC-KGLIPLIRSA-N 308.809 2.428 0 40 DEAB Cc1noc([C@H](C)NC(=O)[C@@H](C)N2CCc3ccccc3C2)n1 71893313 VRCVGESLYPAMRL-NWDGAFQWSA-N 314.389 2.002 0 40 DEAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)C(=O)N1CCCC[C@@H]1C 69591111 TZMPCKMVUVXCTN-RYUDHWBXSA-N 314.389 2.082 0 40 DEAB COCc1cc(NC[C@H]2CCc3ccccc3N2)n2ncnc2n1 69581432 ZNYRMSHVEYCYIA-CYBMUJFWSA-N 324.388 2.110 0 40 DEAB O=C(c1cc(=O)c2ccccc2o1)N1CCC[C@H](n2ccnc2)C1 69654744 UTDLNSXQRQDNSH-ZDUSSCGKSA-N 323.352 2.467 0 40 DEAB CN(C)c1cc(C(=O)N2CCN(C)c3ccc(F)cc32)ccn1 83881737 IVYZUTRQNFIFIS-UHFFFAOYSA-N 314.364 2.383 0 40 DEAB CCc1sc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1C 83817512 FOBJNZRNOKIXBB-UONOGXRCSA-N 322.474 2.290 0 40 DEAB C[C@]1(C(=O)N2CC[C@](O)(C(F)(F)F)C2)CC1(Cl)Cl 71921196 GNFSSOZCAVWWQU-HTQZYQBOSA-N 306.111 2.096 0 40 DEAB Cc1ccccc1COc1cccc(NCC(=O)NC(N)=O)c1 69802265 KVHYEMMROKFLBN-UHFFFAOYSA-N 313.357 2.181 0 40 DEAB C[C@@H](Sc1ccccn1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 8780306 PXYKJQADMALPOR-SECBINFHSA-N 314.370 2.371 0 40 DEAB O=C(NCCOc1ccccc1Cl)NC1(CCO)CCC1 95434979 QBKUJRXLXCSVHX-UHFFFAOYSA-N 312.797 2.323 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)CCOC[C@@H]3CCCO3)C2)n[nH]1 84110442 PIWYQGDZRAPWQQ-GJZGRUSLSA-N 321.421 2.010 0 40 DEAB O=C(N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)c1ccon1 97047056 HOESGAOONKMURZ-VIFPVBQESA-N 309.728 2.476 0 40 DEAB O=C(CCn1ccc2ccccc21)N[C@H]1CC[C@@H](C(=O)O)C1 97039287 KELRSURPNUVYQS-KGLIPLIRSA-N 300.358 2.401 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)C1CCOCC1 97142628 PTNFNJSPAZPVQX-YOEHRIQHSA-N 302.418 2.050 0 40 DEAB COCCOC1CN([C@H](C)C(=O)Nc2ccccc2Cl)C1 72311949 UMUUFBWFWVEUPU-LLVKDONJSA-N 312.797 2.014 0 40 DEAB COC(=O)[C@@]1(NC(=O)c2cc(Cl)cc(Cl)c2)CCOC1 88221627 QFGHCODHBZGHPP-CYBMUJFWSA-N 318.156 2.055 0 40 DEAB O=C(NCC1CCC1)N1CCn2c(nnc2-c2ccccc2)C1 73746969 JLGZOVVYUWUKNN-UHFFFAOYSA-N 311.389 2.270 0 40 DEAB CC[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)c1ccc(OC)cc1 95948226 YCKGBRUXIFPMKV-ZFWWWQNUSA-N 304.390 2.131 0 40 DEAB O=C(N[C@@H](C(=O)O)c1ccccc1)c1noc2c1CCCC2 95947188 DNSANPKYJLFKEK-CYBMUJFWSA-N 300.314 2.109 0 40 DEAB Cc1ncc(CN2CCOC[C@@H]2c2c(C)nn(C)c2C)s1 95983629 PLRLBADMYSOZHQ-CQSZACIVSA-N 306.435 2.375 0 40 DEAB CC[S@@](=O)c1ccccc1C(=O)N(C)Cc1cc(C)on1 89274716 PLWQGUZOOGEZSL-NRFANRHFSA-N 306.387 2.383 0 40 DEAB CO[C@]1(C)C[C@@H](NC(=O)NC[C@H](O)c2cccs2)C1(C)C 74942126 ZZAQGXLPEQIULC-JVLSTEMRSA-N 312.435 2.284 0 40 DEAB O=C(Cc1cccs1)NC[C@H](c1ccco1)N1CCOCC1 36078886 PQOBFOUUPKAVKZ-CQSZACIVSA-N 320.414 2.073 0 40 DEAB COc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1OC 35314187 QFIXDSXXPVGRJT-UHFFFAOYSA-N 311.345 2.374 0 40 DEAB CCC1(c2ccccc2)CN(C(=O)c2c(CO)noc2C)C1 566464582 FDHWGFWVMOHOAP-UHFFFAOYSA-N 300.358 2.279 0 40 DEAB CC(C)N(CC(=O)O)C[C@H]1CCCN1C(=O)OC(C)(C)C 79392391 NYTKPDGZLVBTDS-GFCCVEGCSA-N 300.399 2.181 0 40 DEAB CCCCNS(=O)(=O)c1cc(C(=O)O)ccc1NCCC 217418624 IMGCKYHHWKTKNA-UHFFFAOYSA-N 314.407 2.285 0 40 DEAB CCO[C@H](C)C(=O)Oc1ccc(O[C@H]2CCCCNC2=O)cc1 78442835 WHHNLTVBCDBVGA-DOMZBBRYSA-N 321.373 2.065 0 40 DEAB O=C(O)c1ccc(OCCNC(=O)c2ccc(Cl)cn2)cc1 567210556 SDDNJOUTMDYFTH-UHFFFAOYSA-N 320.732 2.242 0 40 DEAB Cc1nn(C)c(OCC(F)(F)F)c1CNc1ncccn1 187922496 REVBSBSZGJHGTQ-UHFFFAOYSA-N 301.272 2.072 0 40 DEAB Cc1ccccc1[C@]1(C)NC(=O)N(CC[C@@H]2CCCO2)C1=O 195576537 YYQCEUQMNULGDK-GUYCJALGSA-N 302.374 2.331 0 40 DEAB C[C@@H]1CN(C(=O)C(F)(F)c2ccccn2)c2cccnc2O1 195579183 LOSBSSMVNMFBCE-SNVBAGLBSA-N 305.284 2.383 0 40 DEAB C[C@@H](Cn1cncn1)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 195558492 DGRISPGISYBDGT-UONOGXRCSA-N 323.441 2.046 0 40 DEAB COC(=O)c1cc2cc(NC(=S)NCCCO)ccc2s1 225212208 KWLRUMYURBSQHA-UHFFFAOYSA-N 324.427 2.357 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)Nc2ccc(F)cc2F)n1 224189313 UGDGYIVRXOLRFP-UHFFFAOYSA-N 321.331 2.451 0 40 DEAB C[C@H](N)[C@@H]1CCCCN1C(=O)c1cc(Br)cn1C 63192904 PZBLPJYGQKHBRK-ONGXEEELSA-N 314.227 2.130 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)c2ccc(Cl)cc2)n1 224185925 DWEPJPKHCXEIIO-UHFFFAOYSA-N 304.781 2.434 0 40 DEAB CC(C)[C@H](C)NC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 225193451 UAXWCEANEWUIHL-QWHCGFSZSA-N 312.435 2.002 0 40 DEAB Cc1nc(CCNC(=O)C[C@@H]2CSCCS2)cs1 95433541 GHJUHWCNUHSUNJ-LLVKDONJSA-N 302.490 2.349 0 40 DEAB O=C(c1ccco1)N1CCC12CCN(c1ncc(F)cn1)CC2 96078020 KXGBTSBCKMHCBV-UHFFFAOYSA-N 316.336 2.094 0 40 DEAB CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)CC1 332301721 VMRINSALQHMHCL-CYBMUJFWSA-N 315.822 2.379 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)Nc2cccn(C)c2=O)C12CCCC2 96435171 XCPVJNFHWNXROD-KBPBESRZSA-N 319.405 2.245 0 40 DEAB Cn1cccc1CN1CC[C@]2(CCN(Cc3cccnc3)C2=O)C1 96159406 QOPIJJYZFGSIOC-IBGZPJMESA-N 324.428 2.045 0 40 DEAB CCOCc1ncn2c1CN(C(=O)c1ccccc1F)CC2 96260147 NZTIDACPNDKEQL-UHFFFAOYSA-N 303.337 2.215 0 40 DEAB C[C@@]12CCN(C(=O)c3noc4c3CCCC4)[C@@H]1CC[C@@H](O)C2 257287948 PSECGCLEXRVSTR-ZLENFMNRSA-N 304.390 2.319 0 40 DEAB Cc1noc(C)c1CC(=O)N1CCCC[C@H]1Cn1cccn1 69813519 KBXARWJCLNARSW-AWEZNQCLSA-N 302.378 2.112 0 40 DEAB COc1ccccc1CC(C)(C)NC(=O)NC[C@@H]1CCCO1 69893643 MTGWFLDDXLUTGP-AWEZNQCLSA-N 306.406 2.495 0 40 DEAB COC(=O)c1ccccc1NC(=O)COc1ccc(C)nc1 69844834 RKJLDSRFSGVQPV-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB CN(C)c1cccc([C@@H]2CN(Cc3ccc(F)cn3)CCO2)n1 257333862 YDKRKBYPVLRUAZ-INIZCTEOSA-N 316.380 2.255 0 40 DEAB Cc1cn(C)c([C@H]2CCN(Cc3cnn4c(C)cc(C)nc34)C2)n1 257310081 UDPWWSOPYBWJDA-HNNXBMFYSA-N 324.432 2.378 0 40 DEAB CCOc1ncccc1C(=O)N1CC[C@H]2NCCCC[C@H]2C1 257317897 VLPUMECYLXWNQK-DZGCQCFKSA-N 303.406 2.085 0 40 DEAB Cc1cnc(C2(C)CCN(CC3(O)CCOCC3)CC2)s1 257307343 SYGNATLZQUESSN-UHFFFAOYSA-N 310.463 2.347 0 40 DEAB O=C(NCc1ccc(C(=O)O)o1)c1csc([C@H]2CCCO2)n1 262741998 GXOSDXAKVXNJED-SNVBAGLBSA-N 322.342 2.216 0 40 DEAB O=C(O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)no1 263126051 LALQCHJXAWUNGO-CQSZACIVSA-N 312.325 2.204 0 40 DEAB CCN1CCO[C@@H](C(=O)N2CCCCc3cc(OC)ccc32)C1 364649651 FTGWUXUPYUMUBA-QGZVFWFLSA-N 318.417 2.085 0 40 DEAB CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CO)CC2)cc1 283753347 OVWNMLPNIDIGQO-UHFFFAOYSA-N 303.402 2.299 0 40 DEAB CC(C)C(=O)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 585093660 HSLUXWNLSRLARV-GFCCVEGCSA-N 308.353 2.016 0 40 DEAB Cn1cnc2c1C[C@H](CO)N(Cc1cccc3ccccc13)C2 585094916 UDUGFPPFONGYGG-MRXNPFEDSA-N 307.397 2.493 0 40 DEAB CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cccc(OC)c1 35214923 PPJMAQJWJCRDHK-BXUZGUMPSA-N 322.430 2.125 0 40 DEAB Cc1nccc(NC[C@H]2C[C@H](C)N(C(=O)c3ccccn3)C2)n1 1068275140 GDRPPQLXWZXXRX-GXTWGEPZSA-N 311.389 2.143 0 40 DEAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2ccncc2)CN1CC1CC1 46332538 YGBOHGQJZXTIPY-HZPDHXFCSA-N 313.401 2.004 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)N3CCSCC3)cc2c1 53818459 DOIKFYSPFNQNNZ-UHFFFAOYSA-N 306.387 2.374 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 62118491 FXDRKHWKIPMNQC-VIFPVBQESA-N 307.733 2.049 0 40 DEAB CC(C)(C)c1ccc(CCNC(=O)N2CCNC(=O)CC2)cc1 75583991 XKUWMVVTYMCCCB-UHFFFAOYSA-N 317.433 2.058 0 40 DEAB Brc1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)o1 191091374 OBUSVIRSOKLVLS-NWDGAFQWSA-N 316.195 2.422 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CC(=O)Nc3cc(C)on3)n2)cc1 5396639 IRJFGAKIUCABDX-UHFFFAOYSA-N 324.340 2.154 0 40 DEAB C[C@H](c1ccccc1)N1CCC[C@H](NS(=O)(=O)C2CC2)C1 1889130540 CMMISLWISOLEEM-HIFRSBDPSA-N 308.447 2.294 0 40 DEAB COC(=O)c1ccc(CCNC(=O)c2ccc3[nH]cnc3c2)cc1 25077207 CXNBWLUEBYOVDW-UHFFFAOYSA-N 323.352 2.322 0 40 DEAB O=C(c1ccc2ncsc2c1)N1CC[C@H](c2ncon2)C1 245093484 RPSILZFNKFFTHQ-JTQLQIEISA-N 300.343 2.309 0 40 DEAB CC(C)N1C[C@H]2CN(CCc3ccccc3)CC[C@@H]2OCC1=O 2037980897 MCOXNIPVFAEAMM-MSOLQXFVSA-N 316.445 2.187 0 40 DEAB COC[C@@H]1CN(Cc2ccc(F)c(F)c2)Cc2cn(C)nc21 1204222180 WQHLPVKUQJRRJB-ZDUSSCGKSA-N 307.344 2.444 0 40 DEAB COc1cc(N2CCN(Cc3ccccc3C)CC2=O)ccn1 2086992578 SODVACLJZZNFOM-UHFFFAOYSA-N 311.385 2.247 0 40 DEAB O=C(N1CCc2ncnc(-c3ccncc3)c2CC1)C12CC(C1)C2 1565554866 HSNIOEGWGVBTQF-UHFFFAOYSA-N 320.396 2.266 0 40 DEAB Cn1c(-c2nc(C(=O)NCCO)cs2)cc2ccccc21 38670983 XABLOIDGNCTDLA-UHFFFAOYSA-N 301.371 2.024 0 40 DEAB COc1ncccc1C(=O)N1CCN(c2ccccc2F)CC1 44443142 YCCNRDOJDWAKMM-UHFFFAOYSA-N 315.348 2.192 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC(Nc2ccncn2)C1 618256931 ZEFHCLSFMFTSDF-UHFFFAOYSA-N 318.764 2.075 0 40 DEAB Cc1nc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)c2ccncc2n1 2298049121 NGKKPGCCFHLZOK-ZIAGYGMSSA-N 309.417 2.254 0 40 DEAB Cc1ccccc1CN(C)C(=O)[C@@H]1CCCN(C(=O)N(C)C)C1 40088498 CFSMQSBFNJSFPH-MRXNPFEDSA-N 317.433 2.347 0 40 DEAB CC(=O)N[C@@H](CC(=O)Nc1ccn(C)n1)c1ccc(Cl)cc1 40033820 WXZQFRNVLOPQMG-ZDUSSCGKSA-N 320.780 2.280 0 40 DEAB C[C@@H]1c2cccn2CCN1C(=O)Cc1cn2ccsc2n1 30797380 ZMWRMIGJTJZILF-LLVKDONJSA-N 300.387 2.343 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 100622239 QVINHXWQYJHHQN-BJDJZHNGSA-N 310.136 2.436 0 40 DEAB CC[C@H]1CCCN(C(=O)CCn2cnc3sccc3c2=O)C1 31679634 JDGDIMDYUWSXFO-LBPRGKRZSA-N 319.430 2.497 0 40 DEAB Cc1cc(CN(C)S(=O)(=O)c2cc(F)ccc2F)no1 40520505 FJROVDKWMWWAHQ-UHFFFAOYSA-N 302.302 2.082 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 32911726 FYHFMLDYSYJPPR-AWEZNQCLSA-N 316.336 2.308 0 40 DEAB O=C(NCCCCN1CCOCC1)c1c(F)cccc1Cl 41571531 KZTHRVKVULWMRW-UHFFFAOYSA-N 314.788 2.321 0 40 DEAB CCc1n[nH]c(SCC(=O)Nc2cc(C(C)(C)C)nn2C)n1 53674982 AGAPNLNUDQKBFB-UHFFFAOYSA-N 322.438 2.129 0 40 DEAB Cc1nc(CNC2CCN(C(=O)c3ccco3)CC2)cs1 42206778 RDEQNGRIVHZCBZ-UHFFFAOYSA-N 305.403 2.439 0 40 DEAB CCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)o2)C1=O 981337 LULFIOSMQCIMHL-LUAWRHEFSA-N 308.359 2.172 0 40 DEAB O=C(CCNC(=O)c1ccccc1)OCC(=O)c1ccccc1 3436838 IJEPVAFPBBIESS-UHFFFAOYSA-N 311.337 2.233 0 40 DEAB Cc1ccc(-n2c(=O)c3c4c(sc3n3nnnc23)CCC4)cc1 4833655 ZHLCDGVMXYFMPA-UHFFFAOYSA-N 323.381 2.287 0 40 DEAB O=C(Oc1ccc2c(c1)OCO2)[C@H]1COc2ccccc2O1 5577396 QIWVCHCRUSZDHW-OAHLLOKOSA-N 300.266 2.161 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 6328733 FEYGYHHPRVNCPO-IUODEOHRSA-N 324.446 2.245 0 40 DEAB COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1c(F)cccc1F 8323355 GZSLBTKPROCKLS-CYBMUJFWSA-N 310.300 2.450 0 40 DEAB COc1ccc(/C=C/c2nn3c(=O)c(C)nnc3s2)cc1 8400857 IYNMTMIBTBCATD-VMPITWQZSA-N 300.343 2.033 0 40 DEAB CCOC(=O)N1CCN(C(=O)Nc2ccc(F)cc2F)CC1 9113895 VJMQZKPENBEBFA-UHFFFAOYSA-N 313.304 2.271 0 40 DEAB Nc1nc(Nc2ccc(Br)cc2)c2nc[nH]c2n1 9422291 PBEDTHLDGOJJAK-UHFFFAOYSA-N 305.139 2.441 0 40 DEAB Cn1nc(-c2cccc(NC(=O)c3ccccn3)c2)ccc1=O 10325182 SYPGUJQVOFONFY-UHFFFAOYSA-N 306.325 2.095 0 40 DEAB CC(C)(C)C(=O)N1CCC(n2nnc3ccccc3c2=O)CC1 12184076 UDNHKXHDNCSVJT-UHFFFAOYSA-N 314.389 2.001 0 40 DEAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)NC(N)=O)c1 12547156 XAWAPYSPZSHPCY-LLVKDONJSA-N 318.402 2.165 0 40 DEAB CCc1c(C)c2ccc(OCc3nn[nH]n3)c(C)c2oc1=O 13804252 WBPRHGHKXQDSNC-UHFFFAOYSA-N 300.318 2.064 0 40 DEAB CCOc1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 15838897 NLTFMVCKHYBABW-UHFFFAOYSA-N 310.313 2.280 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)N[C@H]1CCc2ccccc21 16472137 SMBHZKJDMWGIDQ-HNNXBMFYSA-N 319.364 2.200 0 40 DEAB O=C(c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccco1 16958045 NLRKLVGUTXNYLN-LBPRGKRZSA-N 304.689 2.498 0 40 DEAB CC(C)c1ccc(CNC2CCN(S(C)(=O)=O)CC2)cc1 30656314 GIJJQTOVHCGVDO-UHFFFAOYSA-N 310.463 2.324 0 40 DEAB CC(C)NC(=O)c1ccc(Cn2cnc3ccccc3c2=O)o1 36366808 FIKHYEUZSMMEDX-UHFFFAOYSA-N 311.341 2.176 0 40 DEAB Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](C(=O)O)C1 36983367 LTTRVDPUTZEJLM-JTQLQIEISA-N 317.794 2.134 0 40 DEAB O=C(CN1CCOc2ccccc21)N1CCc2ccccc2C1 40086131 BOCQIRAJRVIDLE-UHFFFAOYSA-N 308.381 2.470 0 40 DEAB O=C(NCc1ccnc(-n2cccn2)c1)c1cc(F)cc(F)c1 40510772 OJMJRSUDWAUIEP-UHFFFAOYSA-N 314.295 2.476 0 40 DEAB Cc1csc2nc(CN(C[C@H]3CCOC3)C3CC3)cc(=O)n12 40539366 HMMIOCRKHGQMQD-GFCCVEGCSA-N 319.430 2.065 0 40 DEAB CCCc1noc(C2CCN(C(=O)c3ccccn3)CC2)n1 41121879 OUROFRSTJMRUNE-UHFFFAOYSA-N 300.362 2.437 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 42381986 BQRGRFVNKPCPFP-NWDGAFQWSA-N 300.383 2.169 0 40 DEAB Cc1nnc(CNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)o1 44227467 IPFWCWBSDCWECP-UHFFFAOYSA-N 300.293 2.442 0 40 DEAB COc1ccc([C@@H](NC(=O)c2ccn(C)c(=O)c2)C2CC2)cc1 44611231 YINYLHHNWNYSPU-KRWDZBQOSA-N 312.369 2.275 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2cc(C)on2)n1 44971660 DNHVZSJQQGUTBE-LLVKDONJSA-N 319.409 2.274 0 40 DEAB Cc1c([C@H](C)NC(=O)N2CCN(C3CCCC3)CC2)cnn1C 47005943 UBKDKUMGKGBXFI-ZDUSSCGKSA-N 319.453 2.059 0 40 DEAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)cc2c1OCCO2 49546902 PXVYLAVVAJJTHQ-SNVBAGLBSA-N 315.329 2.324 0 40 DEAB O=C(CC[C@H]1CCCO1)NCCc1cc(F)cc2c1OCOC2 52901582 YDLBVHOQIHSDBV-OAHLLOKOSA-N 323.364 2.310 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3c(C)oc(C)c3C)CC2)no1 54459530 RJMHVYVLUHXBEX-UHFFFAOYSA-N 317.389 2.459 0 40 DEAB Cc1cc(C(=O)NCCN2CCC(C)CC2)nn1C(C)(C)C 54780143 VGYABNGIWMIFKG-UHFFFAOYSA-N 306.454 2.408 0 40 DEAB CC(C)C[C@@H](C)N(C)C(=O)NCc1cccnc1-n1cncn1 58198136 ITLLKNKWWTVLOC-CYBMUJFWSA-N 316.409 2.238 0 40 DEAB CCc1nnsc1C(=O)NCCCOc1ccc(F)cc1 58324295 NZBYNOGEQGQWHB-UHFFFAOYSA-N 309.366 2.439 0 40 DEAB CCOCCO[C@H](C)C(=O)NCc1cc(-c2ccccc2)no1 58330905 LLNUZJYGSLASKO-CYBMUJFWSA-N 318.373 2.399 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)C1CCCC1 68292504 WVHCGQBMASXVGA-AWEZNQCLSA-N 306.410 2.272 0 40 DEAB COc1ccc(CN2C[C@H](C(=O)N[C@H](C)C(C)C)CC2=O)cc1 69416352 NDEUSFBONLRLNH-UKRRQHHQSA-N 318.417 2.204 0 40 DEAB CC(=O)NCCCOC(=O)Cc1ccccc1Br 69491439 SISYSNJCHBQWRD-UHFFFAOYSA-N 314.179 2.061 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCCN(Cc2cscn2)CC1 69770021 FWLBEZWFIFZEGH-UHFFFAOYSA-N 324.837 2.473 0 40 DEAB CC(C)CN(CCc1ncc(-c2ccccc2)o1)CC(N)=O 69812933 DYZHWBLCKSNISU-UHFFFAOYSA-N 301.390 2.327 0 40 DEAB O=C(CCCOc1ccccc1)N1CCC[C@H](n2cncn2)C1 72272218 MHEDHBSEABHCSE-HNNXBMFYSA-N 314.389 2.301 0 40 DEAB CCO[C@H]1C[C@@H]1C(=O)N(Cc1ccncc1)Cc1cccnc1 72281814 QMJNCGWNKYBKCN-IRXDYDNUSA-N 311.385 2.430 0 40 DEAB COC(=O)c1ccc(N(C(=O)Cn2cccn2)C(C)C)c(C)c1 72287310 GZANRSMJCMIIID-UHFFFAOYSA-N 315.373 2.420 0 40 DEAB CS(=O)(=O)NCc1ccc(NC(=O)c2ccsc2)cc1 72287500 HEWZGTSCHAKQGN-UHFFFAOYSA-N 310.400 2.050 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2c[nH]c(C(C)C)n2)no1 72300364 CXTCCCKWZCWXJD-LLVKDONJSA-N 303.366 2.456 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCC(C)(C)N1CCC[C@H](C)C1 72313346 UHFMLNNOFPKANV-LBPRGKRZSA-N 306.454 2.277 0 40 DEAB COc1cccc(S(=O)(=O)NCCc2ccc(F)cc2)c1 74934464 OKYUIQCPWIQJTD-UHFFFAOYSA-N 309.362 2.355 0 40 DEAB COCCOC[C@@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 76067009 CDFXCRLFGRAEEB-CYBMUJFWSA-N 302.374 2.293 0 40 DEAB C[C@@H](NC(=O)c1ccc(=O)[nH]c1)c1cccc(-n2cccn2)c1 76091629 CEXANMNHYXAEOC-GFCCVEGCSA-N 308.341 2.052 0 40 DEAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1 77844993 NPZCVGWUGPILFS-ZUZCIYMTSA-N 312.797 2.192 0 40 DEAB COc1ccccc1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 78879462 IPOABJIYLSSGDG-GFCCVEGCSA-N 320.389 2.434 0 40 DEAB O=C(NC[C@H]1SCCc2ccccc21)c1ccc(=O)[nH]c1 79018618 CESYQDFXUVJABL-CQSZACIVSA-N 300.383 2.135 0 40 DEAB CCCn1c(SC[C@H](O)c2ccccc2Cl)n[nH]c1=O 79808074 KVLFEHGJZZNAFV-NSHDSACASA-N 313.810 2.461 0 40 DEAB COc1ccc(CS(=O)(=O)C[C@H]2CCCO2)c(Cl)c1 83927838 MUQSAMCFOBJTFV-GFCCVEGCSA-N 304.795 2.442 0 40 DEAB COC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C(C)(C)O)c1 89761620 PZZCKCAHINUUBZ-CYBMUJFWSA-N 306.362 2.240 0 40 DEAB O=C(NC[C@H](O)c1ccsc1)c1cc2ccccc2c(=O)[nH]1 89873014 CRBPWLGRHLLPKC-AWEZNQCLSA-N 314.366 2.053 0 40 DEAB C[C@]12CCC(=O)N1[C@H](C(=O)N1CCC[C@H]3CCC[C@@H]31)CS2 89919740 QCGKJDUISLBYNA-DVZHBHJUSA-N 308.447 2.232 0 40 DEAB CC(C)C(=O)NCCNCc1cc(F)ccc1Br 90167883 DEUNUEGMVXPGQQ-UHFFFAOYSA-N 317.202 2.450 0 40 DEAB CC(C)[C@H](NCc1nc2c(s1)CCC2)C(=O)N1CCCC1 93075323 HKSJSROVKASNGW-HNNXBMFYSA-N 307.463 2.368 0 40 DEAB C[C@H](CO)CS[C@H](C(N)=O)c1cccc(Br)c1 95448537 KHXGPVIRABHUNE-KCJUWKMLSA-N 318.236 2.337 0 40 DEAB Nc1ccnc(CNC(=O)C2(c3cccc(F)c3)CCCC2)n1 95993377 CTIANVYPBNEVRE-UHFFFAOYSA-N 314.364 2.326 0 40 DEAB Cc1ccc(CNC(=O)c2cncc(O)c2)c(N2CCCC2)n1 96004839 VWNKIDOAGKSANH-UHFFFAOYSA-N 312.373 2.021 0 40 DEAB COc1cc(F)ccc1CC(=O)N1CC[C@H]2O[C@@H](C)C[C@H]2C1 96043624 FDQMBXYBWSUVDU-CORIIIEPSA-N 307.365 2.403 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2cscn2)Cc2cn(CC)nc21 96198091 UKFAWJLXORGRSG-LBPRGKRZSA-N 320.418 2.136 0 40 DEAB O=C(c1ccc[nH]1)N1CCC[C@@]2(CCN(c3cccnc3)C2=O)C1 96224553 USDNKRQDTFHFAT-GOSISDBHSA-N 324.384 2.069 0 40 DEAB O=C(N[C@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccoc1 96260664 VCIOQVCHOABZHU-HNNXBMFYSA-N 312.369 2.139 0 40 DEAB COCCOc1ncccc1NC(=O)N[C@@H](C)c1ccncc1 96403768 ZWHLJJDYRRAOTI-LBPRGKRZSA-N 316.361 2.385 0 40 DEAB O=C(CCCc1cccs1)NCCn1cnnc1C1CC1 96412679 QGYDHUMVKMRNIH-UHFFFAOYSA-N 304.419 2.356 0 40 DEAB O=C(NCC[S@@](=O)c1ccccc1)N1C[C@H]2CC=CC[C@@H]2C1 96440375 QTGPPPCMUNNYAX-HLFMIMNKSA-N 318.442 2.402 0 40 DEAB CCS[C@H]1CCCC[C@H]1NC(=O)CNC(=O)C(C)(C)C 96456082 YHGPZQSBPMWMFA-NEPJUHHUSA-N 300.468 2.329 0 40 DEAB COC(=O)[C@@H]1CN(Cc2coc(-c3ccccc3)n2)C[C@@H](C)O1 96470101 RSOXQQIKNUFNFV-DOMZBBRYSA-N 316.357 2.104 0 40 DEAB Cc1ccc(C(=O)N2CCN(C(=O)[C@]3(C)CCCS3)CC2)o1 96476084 HQRPOMZBOGLCHS-INIZCTEOSA-N 322.430 2.158 0 40 DEAB CC(C)[C@H](O)CNC(=O)[C@H](C)n1ccnc1-c1ccccc1 96484721 WKRTVVPHZKADPP-DZGCQCFKSA-N 301.390 2.244 0 40 DEAB COc1cccc(F)c1[C@H](C)NCC(=O)Nc1c(C)n[nH]c1C 97033546 BMRRCBKPODUPCP-VIFPVBQESA-N 320.368 2.464 0 40 DEAB CCCN(C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O)C1CC1 97108144 KVMYGIUJDYHNJH-OAHLLOKOSA-N 316.405 2.161 0 40 DEAB COc1ccccc1CN(C)C(=O)Nc1nc2ccccn2n1 97136235 MFNSEDJUKHPDBV-UHFFFAOYSA-N 311.345 2.402 0 40 DEAB CC(C)N1CCC(NCc2ccnc(O[C@@H]3CCOC3)c2)CC1 97238366 INMYAZRWNVXFPM-QGZVFWFLSA-N 319.449 2.212 0 40 DEAB O=C(N[C@@H]1CCc2ccc(F)cc21)N1CC[C@H](N2CC=CC2)C1 101387743 RXAIGYVYBQSQOM-DOTOQJQBSA-N 315.392 2.469 0 40 DEAB CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@@H](C)C(=O)OC 106582960 OGWAYYNODBKGDD-CHWSQXEVSA-N 324.396 2.134 0 40 DEAB CCN1CCCN([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 106855223 OTENXNPKOCNPFB-DLBZAZTESA-N 317.477 2.322 0 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Cc1ccc([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1F 248765849 XAVPEQCNDCSVAL-YDHLFZDLSA-N 324.396 2.376 0 40 DEAB O=C(N[C@@H]1CCN(CC2CCCC2)C1)N[C@@H]1C[C@@H]2OCCC[C@@H]21 251948722 VFKBOGJKQZGKMD-VQHPVUNQSA-N 321.465 2.118 0 40 DEAB COc1ccc([C@H]2CN(C3CCN(C)CC3)CCN2C)cc1 257287150 POSXUUYXRCFIHE-GOSISDBHSA-N 303.450 2.078 0 40 DEAB Cn1cnc(C(=O)N2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)c1 257320637 VXRMPQJYRCZRQG-FOLVSLTJSA-N 311.385 2.350 0 40 DEAB Cn1ncc2ccc(CNC(=O)c3cc(-c4ccoc4)[nH]n3)cc21 564265989 BPVVGFACJCQHDM-UHFFFAOYSA-N 321.340 2.486 0 40 DEAB C[C@H](CO)NC(=O)[C@H](C)c1ccc(C[C@@H]2CCCC2=O)cc1 575444025 RIWVCVGYZLJODS-IOASZLSFSA-N 303.402 2.199 0 40 DEAB CCOCCc1cnc2n1CCN(Cc1cc(C)[nH]n1)[C@@H]2C 585097007 DNOCJWKQZUTSBI-CYBMUJFWSA-N 303.410 2.070 0 40 DEAB COc1cc(OC)nc(N2CCN(c3ccccc3C)CC2)n1 672142483 CWOBCCGXBWTXPS-UHFFFAOYSA-N 314.389 2.129 0 40 DEAB Cc1nc(C(F)F)n(CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 684840389 QPRBBJZGMHMHSQ-PDEGPIFNSA-N 312.364 2.465 0 40 DEAB 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O=C(O)[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218449869 BEESZWZTUJDOCM-ILXRZTDVSA-N 320.341 2.466 0 40 DEAB Cc1cc(S(=O)(=O)NCCCN2CCCCC2)ccc1F 78529627 SRUVHQVVVZCMCC-UHFFFAOYSA-N 314.426 2.288 0 40 DEAB c1cc(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)ccn1 69843618 DQFZNBLCKDDBIB-OAHLLOKOSA-N 313.405 2.096 0 40 DEAB CNc1cncc([C@@H]2CCCN2S(=O)(=O)C2CCCCC2)n1 72386159 HOHMEMPWARUYFW-AWEZNQCLSA-N 324.450 2.318 0 40 DEAB Cc1cccnc1CNC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 74106520 UPYQVYCWXCSZLY-LBPRGKRZSA-N 315.421 2.171 0 40 DEAB O=C(O)[C@@H](CCc1ccccc1)N1CC[C@H](c2ncccn2)C1 1574346696 SUXLGRZNRYWXJO-JKSUJKDBSA-N 311.385 2.352 0 40 DEAB CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1Cc1ccccc1C(=O)O 568064581 IVWMHMPAKHEHPN-IXDOHACOSA-N 319.401 2.401 0 40 DEAB CCCC(=O)N1C(=O)[C@@H]2CCCCN2C(=O)c2ccccc21 40386276 FMOLANYXNDWFTI-AWEZNQCLSA-N 300.358 2.355 0 40 DEAB CCCOc1ccc(NC(=O)N[C@@H]2CCc3ncnn3C2)cc1 133364478 KTERMYCRNIWBED-CYBMUJFWSA-N 315.377 2.203 0 40 DEAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)C[C@@H]1CSCCN1 195544094 JFCOJCSXSHGLLZ-FVQBIDKESA-N 320.458 2.070 0 40 DEAB CN(C(=O)C(F)(F)F)c1ccc(CN2CCOCC2)cc1 226275364 GYYQWXHYOFEJIS-UHFFFAOYSA-N 302.296 2.044 0 40 DEAB CC(C)n1nccc1NC(=O)[C@@H](C)SCCn1cccn1 193683391 KABJYAGVSFJNPI-GFCCVEGCSA-N 307.423 2.421 0 40 DEAB COCCNC(=O)c1ccc(Nc2cccc(OC)c2)c(N)c1 225430332 NQECSEYXIQXTNE-UHFFFAOYSA-N 315.373 2.397 0 40 DEAB CCN(c1ccccc1)S(=O)(=O)NC(=O)c1ccoc1C 195580317 ONAJGULVHXYWSB-UHFFFAOYSA-N 308.359 2.089 0 40 DEAB Cn1cc(CN2CCc3c(COCC4CC4)cncc3C2)cn1 96189396 ZHCLQHJCHOYARL-UHFFFAOYSA-N 312.417 2.300 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(C(=O)NC1CCCC1)C2 96201077 NENTZFDPYAPHBY-UHFFFAOYSA-N 319.453 2.191 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccsc3)C[C@@H]2C1 96053928 SRXOOKFXUVUBFK-BETUJISGSA-N 319.455 2.409 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(C(=O)C4CC4)C3)CC2=O)s1 96239340 HGJCPSNEQNZGMG-MRXNPFEDSA-N 304.415 2.422 0 40 DEAB CCCN(C)C(=O)Nc1cccc(C[S@](=O)CCOC)c1 96409003 ALXQDNQQWBGBDL-NRFANRHFSA-N 312.435 2.455 0 40 DEAB CCS(=O)(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 96427842 UNNUKBSPNFRFMC-AWEZNQCLSA-N 301.383 2.156 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4ccc(C)cc4)C[C@@H]32)C(=O)N1C 96261397 RKDQXIRCCDMYGZ-ZIFCJYIRSA-N 311.429 2.466 0 40 DEAB CC(C)Cc1ccc(-c2cc(C(=O)Nc3nnn[nH]3)[nH]n2)cc1 96230849 CWDNKPAYBMOUEB-UHFFFAOYSA-N 311.349 2.041 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2cccnc2)[C@H](c2ccccc2)CO1 96433546 UMXOVDRFCHWHIQ-CJNGLKHVSA-N 318.398 2.232 0 40 DEAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1ccccn1)COC3 96112630 JWYAYTXUDKNKFP-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro CS(=O)(=O)N1CCOC[C@H]1c1csc(-c2ccccc2)n1 96218380 ZWSFDAUQNWIHEF-ZDUSSCGKSA-N 324.427 2.143 0 40 DEAB COc1ccc(F)cc1C(=O)N1CC[C@H]2NCCCC[C@H]2C1 257271428 MYHBXUGITJPMLR-SWLSCSKDSA-N 306.381 2.439 0 40 DEAB c1ccc(NCC[C@@H]2CCOC23CN(C2CCOCC2)C3)nc1 253596176 OCEVGJWYDWDWKF-OAHLLOKOSA-N 317.433 2.154 0 40 DEAB O=C(COc1ccccc1F)N1CCC[C@H](Cc2ccn[nH]2)C1 257211107 BXNIBHURNBGWPG-CYBMUJFWSA-N 317.364 2.409 0 40 DEAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)N(C)C)o1 26491773 DXKUPLRTCBEJJU-VIFPVBQESA-N 307.375 2.314 0 40 DEAB CCN(CC)C(=O)CNC(=O)Nc1cccc2cccnc12 64520386 FMQGKTOSZLPNAB-UHFFFAOYSA-N 300.362 2.225 0 40 DEAB O=C(N[C@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1)c1ccccc1 585110264 YYVPDLFHYDNOAT-KSZLIROESA-N 307.397 2.474 0 40 DEAB COc1ccc(C(=O)N2CCC[C@]3(CCC(=O)O3)C2)cc1F 585285429 JRNRWRKXTAXLGA-INIZCTEOSA-N 307.321 2.146 0 40 DEAB O=C(Nc1cccs1)N(CCO)CCOCC(F)(F)F 71900742 FXTCWDJVIZVPAP-UHFFFAOYSA-N 312.313 2.153 0 40 DEAB C[C@H](NC(N)=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 71854189 OWIYMUQRXKIGBA-YUMQZZPRSA-N 318.204 2.270 0 40 DEAB CC[C@@H](NC(=O)NCc1nncn1CC)c1ccccc1OC 44955441 YUPQAXWWFNAHRB-CYBMUJFWSA-N 317.393 2.257 0 40 DEAB Cc1ccc(CNC(=O)c2cccnc2N2CCOCC2)s1 49072600 GBFZGGBSFMRYBM-UHFFFAOYSA-N 317.414 2.218 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NCc1ncnn1C 249288235 LZCWFFRJIOTZRU-HWWDLCQESA-N 313.449 2.061 0 40 DEAB CN(C)c1ccc(NC(=O)c2cc(-c3cccnc3)on2)cn1 58157963 DVIKOBBTVYVOQZ-UHFFFAOYSA-N 309.329 2.450 0 40 DEAB O=C(N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CCOCC1 58407510 FTTWZRGGHIQOJZ-QGZVFWFLSA-N 317.385 2.452 0 40 DEAB O=C(Nc1c[nH]ccc1=O)c1ccc(N2CCCCCC2)nc1 77168909 CWOIUSFVKTYHDQ-UHFFFAOYSA-N 312.373 2.403 0 40 DEAB CN(C(=O)Nc1cccs1)[C@@H]1CCC[C@H]1S(C)(=O)=O 75109263 YDXNNPZVZLIUOT-NXEZZACHSA-N 302.421 2.178 0 40 DEAB COc1cc(C)ccc1O[C@H](C)C(=O)NCc1cc(C)ncn1 585360302 ZBXDLMNSFQGTSW-CYBMUJFWSA-N 315.373 2.186 0 40 DEAB Cc1cnc(NC[C@@]2(O)CCSC2)c(Br)c1 194321908 FWFDVFPCSQPZRZ-NSHDSACASA-N 303.225 2.432 0 40 DEAB COC(=O)C1(NC(=O)Nc2cccc(Br)c2)CC1 96010508 HLMNNHAMBDSQHK-UHFFFAOYSA-N 313.151 2.276 0 40 DEAB CCn1c([C@@H](CC(C)C)NC(=O)COC)nc2cccnc21 12114136 QRBSHQWUIZJHAX-CYBMUJFWSA-N 304.394 2.301 0 40 DEAB CNC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1 12481390 HOLXXEVGLUVXCZ-UHFFFAOYSA-N 316.361 2.398 0 40 DEAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nn2cnnc2)cc1 14405977 QRKOHUNFLIHWAJ-UHFFFAOYSA-N 321.340 2.223 0 40 DEAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C2CCOCC2)C1 15674105 NYLRAWPMYPEXAN-CABCVRRESA-N 315.373 2.023 0 40 DEAB biogenic,in-vitro CC(C)C(=O)N1CCC[C@@H](c2nnc(-c3cccnc3)o2)C1 19085548 LGGCJASUEAYBMY-CYBMUJFWSA-N 300.362 2.494 0 40 DEAB CCc1c(-c2nn3c(C)nnc3s2)cnn1-c1ccccn1 19910343 MQELHZGELAIFJC-UHFFFAOYSA-N 311.374 2.304 0 40 DEAB O=C(Cn1cnc2ccccc21)N1CCNC[C@H]1c1ccccc1 579112298 BLPSOQUEDCVYTH-SFHVURJKSA-N 320.396 2.209 0 40 DEAB c1cnc(NC2CCN(c3cc4c(nn3)CCCC4)CC2)nc1 585149456 TXNZWDGQMINCAH-UHFFFAOYSA-N 310.405 2.226 0 40 DEAB COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1 415464 JNDKQHHYWHYICD-UHFFFAOYSA-N 310.331 2.019 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1Cc1cc(Cl)c2c(c1)OCO2 16339177 IHVIULSZBTVHEV-UHFFFAOYSA-N 322.748 2.433 0 40 DEAB CCOC(=O)c1ccoc1Cn1ncc(Cl)c(Cl)c1=O 22367753 GVNOBARLTXOOCG-UHFFFAOYSA-N 317.128 2.368 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1F 30321090 YKXCGALWHVGEIK-JTQLQIEISA-N 310.350 2.269 0 40 DEAB CCN(CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O 20438589 BNUMUFVSIVTFJR-UHFFFAOYSA-N 314.389 2.228 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)CN1CCSC1=O 40553656 GBCFCAKZGIMKOD-SECBINFHSA-N 312.366 2.180 0 40 DEAB CCCN(C(=O)c1cccc[n+]1[O-])[C@@H]1C[C@@H](OCC)C1(C)C 101236412 NEDHFIITRMQKSP-HUUCEWRRSA-N 306.406 2.376 0 40 DEAB COc1ccc2c(CN3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1 20609892 ZEXPJNALIUUXEL-VXGBXAGGSA-N 303.358 2.411 0 40 DEAB biogenic O=C1[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1c1ccccc1 101359378 TXTYMVHAWKAUOX-DZGCQCFKSA-N 310.284 2.118 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC(=O)O)cc1C 32217321 LQUUSYIXUUXCHQ-CYBMUJFWSA-N 311.403 2.321 0 40 DEAB COc1ccc([C@@H](CC(=O)Nc2cc(C)on2)NC(C)=O)cc1 21442148 QZVBARRDDGQSRU-CQSZACIVSA-N 317.345 2.198 0 40 DEAB O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 485916 KGDHJMILEWALNR-KGLIPLIRSA-N 315.417 2.310 0 40 DEAB biogenic O=C(CN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc[nH]1 53517350 WTPBPUVYEDDDTC-UHFFFAOYSA-N 324.384 2.178 0 40 DEAB CC(=O)NCCNC(=O)CCCC(=O)c1c(C)cc(C)cc1C 53999685 UGXOKTLSPVFLQM-UHFFFAOYSA-N 318.417 2.217 0 40 DEAB CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)C1CC1 23040443 BUBLPZIKILKTKU-ZYHUDNBSSA-N 310.419 2.046 0 40 DEAB CCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O 19323560 SGDUHGKKJBGGES-UHFFFAOYSA-N 314.385 2.031 0 40 DEAB biogenic CCCC12CN3CC(C)(CN(C1)C31CCOC(C)(C)C1)[C@@H]2O 19331517 BHBGRWDRCBRKML-BMWKDGKBSA-N 308.466 2.070 0 40 DEAB biogenic Cc1cnc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cn1 23270029 UZWLTWMKMGJFGA-UHFFFAOYSA-N 321.340 2.002 0 40 DEAB O=C1[C@H](n2c(=O)sc3ccccc32)CCN1CC(F)(F)F 78967224 MKVLTNNLJBRUHC-SECBINFHSA-N 316.304 2.399 0 40 DEAB CCOC(=O)C[C@@H](Cc1ccc2c(c1)OCO2)C(=O)OCC 1706106 VGDFLRZDTVHPOK-GFCCVEGCSA-N 308.330 2.090 0 40 DEAB Cc1cnc2c(S(=O)(=O)NCC[C@@H]3CCCO3)cccc2c1 24433571 BLUCUIJFGDRCHD-AWEZNQCLSA-N 320.414 2.391 0 40 DEAB COc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1 4907719 DJEFOYSRDSXJEV-YPMHNXCESA-N 320.389 2.337 0 40 DEAB COC(=O)c1ccc(C)c(NC(=S)NC[C@H]2CCCO2)c1 7560781 UBOITQMLCFYLDC-GFCCVEGCSA-N 308.403 2.247 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OCO2 8268309 RELFCIUXRFGQHO-JQWIXIFHSA-N 304.346 2.049 0 40 DEAB COc1ccc(CN(C)CC(=O)Nc2cc(C)no2)cc1OC 44892090 GWSNNSFBJOSKGG-UHFFFAOYSA-N 319.361 2.071 0 40 DEAB CNC(=O)[C@H]1CCC[C@@]12CCN(Cc1ccc3c(c1)CCO3)C2 108534956 ICWKIBFULSGUCC-APWZRJJASA-N 314.429 2.360 0 40 DEAB O=C(Cn1cncn1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 58246955 CDBODESDQBWOHR-UHFFFAOYSA-N 308.301 2.053 0 40 DEAB Cc1cc(-c2nnn([C@H](C)C(=O)NC(C)(C)C)n2)ccc1F 58209456 LFZGQMNZOHHSNH-SNVBAGLBSA-N 305.357 2.263 0 40 DEAB CCOc1ccc(NC(=O)CNC(=O)CC[C@@H]2CCCO2)cc1 58290267 RQALVVCZBOKMJC-AWEZNQCLSA-N 320.389 2.099 0 40 DEAB CN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl 2195179 ZVNJMYWCXADFBF-UHFFFAOYSA-N 311.234 2.223 0 40 DEAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)c2ccncc2)C1 58394353 KPKXAZKQPIVUAA-OAHLLOKOSA-N 315.417 2.383 0 40 DEAB COc1ncccc1NC(=O)NCCc1ccc2c(c1)OCO2 48289205 ZJRNTONWVGFNNW-UHFFFAOYSA-N 315.329 2.183 0 40 DEAB Cc1ncc(CN(C)C[C@@H](O)c2ccc3c(c2)OCO3)s1 48235417 NTUJRNJOTYZVMJ-CYBMUJFWSA-N 306.387 2.346 0 40 DEAB Cc1c(C)n(C[C@H](O)CN2CCC(O)CC2)c2ccc(F)cc12 28297178 XAPWPPQSCQLIDG-MRXNPFEDSA-N 320.408 2.215 0 40 DEAB CCCCNC(=O)CSc1nnc(-c2ccncc2)n1CC 3337711 UFRGSYRYMDSLHG-UHFFFAOYSA-N 319.434 2.368 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)CCc1nc(-c2cccs2)no1 45448497 APOVPWZHAJKQDL-WDEREUQCSA-N 321.402 2.367 0 40 DEAB O=C(CCCOc1ccccc1Cl)NCCNC(=O)C1CC1 50292110 WASDLUJWDJWKOR-UHFFFAOYSA-N 324.808 2.141 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CC(=O)N(C2CC2)C1 29517556 HRQCGQIERBYERA-ZFWWWQNUSA-N 300.402 2.135 0 40 DEAB CS[C@H]1CCC[C@H]1N(C)CC(=O)NCC(=O)c1ccccc1 83216249 UCUZVRCOHLAIAA-ZBFHGGJFSA-N 320.458 2.201 0 40 DEAB Clc1cccc(C2(c3nc([C@@H]4COCCN4)no3)CC2)c1 96001448 OYYZIASKAIAYKK-LBPRGKRZSA-N 305.765 2.464 0 40 DEAB CC(C)C(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 96002526 OQOQUASMAAWDFT-ZDUSSCGKSA-N 302.353 2.171 0 40 DEAB COC[C@@H](Nc1cccc(C(=O)N2CCOCC2)c1C)C1CC1 97037556 JOXIRAXVPGIBIM-QGZVFWFLSA-N 318.417 2.304 0 40 DEAB CCC(=O)Nc1ccc(Cl)c(NC(=O)NCCN(C)C)c1 97051203 VYUTTYUFGUSSNM-UHFFFAOYSA-N 312.801 2.372 0 40 DEAB Cc1cc(C)c(CNC(=O)N(Cc2ccco2)C2CC2)c(=O)[nH]1 65537529 HHNISMZWPJCJPI-UHFFFAOYSA-N 315.373 2.459 0 40 DEAB O=C(COc1ccc2c(c1)OCO2)N1CCC(c2ccccc2)=N1 14216487 MAFFPAQKGSMIOG-UHFFFAOYSA-N 324.336 2.431 0 40 DEAB CNC(=O)[C@@H](C)CN(C)Cc1c(F)cccc1N1CCCC1 93899718 KEYFELZOAVUMHO-ZDUSSCGKSA-N 307.413 2.240 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)no1 15390792 NBRZUUIIHTWBEG-JTQLQIEISA-N 314.301 2.439 0 40 DEAB CC(C)CN1C(=O)C(=O)N(C23CC4CC(CC(C4)C2)C3)C1=O 7334560 FNHYKRHFPZWWSQ-UHFFFAOYSA-N 304.390 2.402 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1F 7401961 QJCYUZCRSWSPNW-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CC[C@@](C)(CO)NC(=O)COc1ccc(Br)cc1 80878178 VFEBASVSDNHXAN-ZDUSSCGKSA-N 316.195 2.105 0 40 DEAB O=C(COc1cccc(F)c1)NC[C@@H]1COc2ccccc2O1 7757291 ABMITDIMBMCLMY-CQSZACIVSA-N 317.316 2.161 0 40 DEAB COCCNC(=S)/N=c1/sccn1Cc1ccccc1 7971385 KXQBJCVBWWYPOH-JQIJEIRASA-N 307.444 2.020 0 40 DEAB c1cc(OCc2cc(-c3ccco3)on2)cc(-n2cnnn2)c1 8224008 ZRHACYPPBYDJGX-UHFFFAOYSA-N 309.285 2.489 0 40 DEAB Cc1ccc(C)c(OCCN2CCC(N3CCNC3=O)CC2)c1 71811030 AFPMEPAERLBKTE-UHFFFAOYSA-N 317.433 2.172 0 40 DEAB O=C(Nc1ccc(Br)c(F)c1)N1CCOCC1 91406161 HYTGJNDOCKWLDP-UHFFFAOYSA-N 303.131 2.452 0 40 DEAB CN(C)CCN(C(=O)c1ccc(N(C)C)nc1)C1CCCC1 71841817 NFKBRBQXIJKCDU-UHFFFAOYSA-N 304.438 2.094 0 40 DEAB CC(C)Oc1ccccc1CC(=O)NCC(=O)NC(C)(C)C 69487967 LFOSTIQCOSMIDH-UHFFFAOYSA-N 306.406 2.047 0 40 DEAB CC[C@@H](C)c1cc(C(=O)N2CCC[C@@H](n3cncn3)C2)on1 72295671 WZGKNZVVYKEDCI-VXGBXAGGSA-N 303.366 2.257 0 40 DEAB O[C@@H](CNCCn1cccn1)c1ccc(OC(F)(F)F)cc1 71877182 AWCHZNSYMQJWGA-ZDUSSCGKSA-N 315.295 2.105 0 40 DEAB CCCN1CCCN(C(=O)c2ccc(OC)c(OC)c2)CC1 69656568 WTQXHECVBVHQTE-UHFFFAOYSA-N 306.406 2.262 0 40 DEAB COC(=O)[C@H](CNC(=O)Nc1ccccn1)c1cccc(C)c1 69696532 RYFOVRTYHRHMIA-CQSZACIVSA-N 313.357 2.468 0 40 DEAB CCCn1nccc1NC(=O)Nc1cc(C(=O)OCC)n(C)c1 72314100 KPWIAOWPRUWXMF-UHFFFAOYSA-N 319.365 2.452 0 40 DEAB CN(CCCNC(=O)CSc1nncs1)c1ccccc1 8505395 HNFOAVYJMCPYLO-UHFFFAOYSA-N 322.459 2.273 0 40 DEAB Cc1ccc(CN2C[C@H](C(=O)N(C)c3cccnc3)CC2=O)cc1 69772868 DIMJJVBNOXKTCU-MRXNPFEDSA-N 323.396 2.402 0 40 DEAB C[C@@H](c1cccc(Cl)c1)N1CCN(c2ccc(=O)[nH]n2)CC1 69777730 XSOAXOTXVDJGRH-LBPRGKRZSA-N 318.808 2.307 0 40 DEAB CN(CCOC[C@@H]1CCCO1)Cc1ccc2c(c1)OCCO2 71921786 OIUZRFFGVNYPKO-HNNXBMFYSA-N 307.390 2.085 0 40 DEAB C[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCCCCCC1 83995738 ZRJHNOIJTTVJKW-AWEZNQCLSA-N 324.446 2.146 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@@H](O)C1)Oc1ccccc1F 84733685 XVRVRJCQKLIJNY-CHWSQXEVSA-N 310.369 2.149 0 40 DEAB CCCCC(=O)N1CC2(C1)OCC[C@H]2COc1ncccc1F 306123599 AREFWMYDDMCJLP-ZDUSSCGKSA-N 322.380 2.407 0 40 DEAB Cc1cc(C(=O)NCc2ccn(-c3ccc(F)cc3)n2)no1 95451070 IKXNIYBTHSPKGX-UHFFFAOYSA-N 300.293 2.238 0 40 DEAB CCNC(=O)c1cc(NC(=O)c2ccon2)nc2ccccc12 95979654 DEQQAIOUPZCITG-UHFFFAOYSA-N 310.313 2.225 0 40 DEAB CCCCc1ccnc(NS(=O)(=O)c2cn(C(C)C)cn2)n1 95939344 BPLDEJBNAAZXHT-UHFFFAOYSA-N 323.422 2.397 0 40 DEAB 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CNc1cc(CC[C@@H]2CN(Cc3cscn3)CCO2)ccn1 257225868 FIFANERYFGTODH-OAHLLOKOSA-N 318.446 2.413 0 40 DEAB O=C(CCc1ccc(F)cc1)N1CCOC[C@@H]1c1ccn[nH]1 257340603 ZGWDBIOVWBOWAR-OAHLLOKOSA-N 303.337 2.082 0 40 DEAB O=C(NCCCO)NCc1ccc(-n2cnc3ccccc32)cc1 64252451 RRNSFYYOCHVRMY-UHFFFAOYSA-N 324.384 2.207 0 40 DEAB CCn1nc(C)c(CN2CC[C@H](OC)[C@]3(CCCO3)C2)c1C 257341630 ZLFNYDUNMAACDA-IRXDYDNUSA-N 307.438 2.290 0 40 DEAB O=C(Nc1ccccc1C(F)(F)F)NN1CCC[C@@H]1CO 585140455 FHOOVZKBWGEPOV-SECBINFHSA-N 303.284 2.199 0 40 DEAB COc1ccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C)cc1 27944880 JNUMYIONQBWWRR-ZDUSSCGKSA-N 312.435 2.246 0 40 DEAB CC(C)(C)OC(=O)N[C@H](Cc1cccc(F)c1F)C(=O)O 70989451 MMZBMRZQYLJCOE-SNVBAGLBSA-N 301.289 2.485 0 40 DEAB CCc1c(C(=O)OC[C@H]2C[C@H]2C)cnn1-c1ccc(OC)nn1 83817583 ZWXDIKRCPLYYSM-GHMZBOCLSA-N 316.361 2.046 0 40 DEAB Nc1ccc2c(N3CCC[C@@H](c4nccs4)C3)ncnc2n1 97047777 LJMOYURLUQFZQO-SNVBAGLBSA-N 312.402 2.448 0 40 DEAB C[C@@H]1C[C@@H](CO)CN(C(=O)c2c(O)cccc2O)C1 97374724 KHKFMLJEMBRRHZ-CYBMUJFWSA-N 265.309 1.188 0 40 DEAB C[C@@H](NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1)c1cccc(Cl)c1Cl 97374295 UKTVLPHJWOIGNN-HNNXBMFYSA-N 390.292 3.191 0 40 DEAB O=C1NCCN(Cc2ccc(Cl)nc2)[C@@H]1c1cccs1 72799706 PEYRXFYHLKXKKT-CYBMUJFWSA-N 307.806 2.470 0 40 DEAB O=C1N(c2ccccc2)Cc2nn(Cc3cccc(F)c3)c(=O)n21 1547201019 IHXWVGUERNMRLI-UHFFFAOYSA-N 324.315 2.221 0 40 DEAB COS(=O)(=O)N[C@H]1CC1(c1ccccc1)c1ccccc1 5014582 MSRUARNOAOFTFU-HNNXBMFYSA-N 303.383 2.226 0 40 DEAB O=C(C[C@H]1C(=O)Nc2ccccc2[S@]1=O)Nc1ccccc1 5721901 YQSBLURPJKRNCP-FPTDNZKUSA-N 314.366 2.144 0 40 DEAB CCCC(=O)N[C@@H](C)C(=O)Nc1ccccc1C(=O)OCC 5972812 BAOMMFLTYSRUPV-NSHDSACASA-N 306.362 2.107 0 40 DEAB COc1ccc2cc(CN3CC[C@@H](CO)C3)c(OC)nc2c1 12118291 LHWAEPDUWJGDSY-GFCCVEGCSA-N 302.374 2.066 0 40 DEAB COc1ccc(N2C(=O)C[C@H](N3C[C@H](C)C[C@@H](C)C3)C2=O)cc1 13450808 IYYCNRSLERBFNP-IOASZLSFSA-N 316.401 2.305 0 40 DEAB Cn1cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c2ccccc21 13788042 UOLGOYBYRKWVCL-SDQBBNPISA-N 316.338 2.299 0 40 DEAB CCCCNC(=O)CSc1nc2c3ccccc3ncn2n1 14241049 BYIFTERJRYOJJH-UHFFFAOYSA-N 315.402 2.286 0 40 DEAB Cc1ccc(CN2CCc3c(nc(-c4cccnc4)[nH]c3=O)C2)o1 19216628 XGHSQVZWBAEUKZ-UHFFFAOYSA-N 322.368 2.292 0 40 DEAB Cc1cc(OC2CN(C(=O)c3ccc(F)c(F)c3)C2)cc(=O)o1 206956946 CVDHQBHLMDFRSD-UHFFFAOYSA-N 321.279 2.130 0 40 DEAB COC(=O)C1CCN(C(=O)COc2ccccc2Cl)CC1 35151702 GMXUFFUZFNQJLC-UHFFFAOYSA-N 311.765 2.130 0 40 DEAB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccn(C)c2)SC1=S 8326536 JPPQJXVBHSEXAJ-WPVMNKCKSA-N 310.400 2.090 0 40 DEAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(F)c(F)c1 6975232 DTRKMNGCNYAJAY-UHFFFAOYSA-N 301.318 2.116 0 40 DEAB O=C(Nc1ccccc1F)N[C@@H]1CCN(C2CCOCC2)C1 1888853437 ZAJWXLCTCNDSAJ-GFCCVEGCSA-N 307.369 2.201 0 40 DEAB O=C([C@@H]1CN(c2ccnc3ccsc23)CCO1)N1CCCC1 1889116995 ZPLQOWJBXSKGOM-AWEZNQCLSA-N 317.414 2.124 0 40 DEAB COCc1nsc(N2CC(Cn3ccnc3C(C)C)C2)n1 2087123190 UAIMOEKLQIQLLP-UHFFFAOYSA-N 307.423 2.141 0 40 DEAB COCC[C@](C)(O)CNC(=O)c1ccc(C(F)(F)F)cc1 174907516 YIJWMOUAIIPRRI-ZDUSSCGKSA-N 305.296 2.223 0 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2.349 0 40 DEAB Cc1cc(NC(=O)CSc2nc(O)c3ccccc3n2)no1 1325644 GMUHEUNDAQWWSI-UHFFFAOYSA-N 316.342 2.363 0 40 DEAB CSc1ccc(Cl)c(C(=O)N[C@@H]2CCC(=O)N(C)C2)c1 78841498 DSKSGQMAYCBBAI-SECBINFHSA-N 312.822 2.413 0 40 DEAB O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1C1CCCCC1 79972113 SIAKLMARSIVBQD-HUUCEWRRSA-N 307.438 2.409 0 40 DEAB COc1ccc(OC)c(/C=C/C(=O)OCC(=O)NC(C)(C)C)c1 3364237 BOEZAMJIUTVZLB-RMKNXTFCSA-N 321.373 2.175 0 40 DEAB Cc1noc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)n1 42703115 ATBRTGKRCVSNNO-UHFFFAOYSA-N 305.382 2.419 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@H](c2ccco2)N(C)C)no1 43137749 LGSYNTWSJPGMAF-CYBMUJFWSA-N 306.366 2.020 0 40 DEAB Cc1ccc(C(=O)CSc2nnc3[nH]c(=O)cc(C)n23)cc1 6426580 VTLFJFOOFUNRSJ-UHFFFAOYSA-N 314.370 2.009 0 40 DEAB CCOC(=O)C1CCN(C(=O)[C@H](C)Oc2ccccc2)CC1 6439082 NASRNTBZGAADPJ-ZDUSSCGKSA-N 305.374 2.256 0 40 DEAB Cc1cc(COC(=O)CCNC(=O)Nc2ccccc2)no1 7836313 AFSODPQDDYBHST-UHFFFAOYSA-N 303.318 2.238 0 40 DEAB Cc1sc2nc([C@@H](C)N3CCC[C@@H](O)C3)[nH]c(=O)c2c1C 107309503 FDIUTMSSSLFGIW-MWLCHTKSSA-N 307.419 2.119 0 40 DEAB Nc1ccc(S(=O)(=O)c2ccc(Br)cc2)nc1 43827941 ZNCIGKTVKRIHDF-UHFFFAOYSA-N 313.176 2.259 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)N1CC[C@@H]([C@H](C)O)C1 108497765 QHUPKZPTPFDKCB-SOUVJXGZSA-N 306.406 2.175 0 40 DEAB C[C@H](Cc1ccco1)NS(=O)(=O)c1cc(F)cc(F)c1 26882065 DNNMFCNNOQWRGF-SECBINFHSA-N 301.314 2.467 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1 1887467 PGFAMSCKRYGMAY-MRXNPFEDSA-N 324.336 2.365 0 40 DEAB CC[C@H](C)NC(=O)CCn1cnc2sc(C)c(C)c2c1=O 27339142 BUDLDJDNMDLFFG-VIFPVBQESA-N 307.419 2.380 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1ccnc(-n2ccnc2)c1 58047251 IFNVIPQBBNSTDD-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB CC(C)Oc1ccccc1CN1CCCC[C@@H]1CNC(N)=O 58293704 OSUQXBFECCLDJE-OAHLLOKOSA-N 305.422 2.497 0 40 DEAB CC[C@](C)(NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)OC 58282516 UUFLEXZROKQFTM-WFASDCNBSA-N 311.765 2.101 0 40 DEAB O=C(/C=C\C(=O)NCCc1ccccc1)NCCc1ccccc1 104378376 FUKVHJYNSXXDCO-QXMHVHEDSA-N 322.408 2.260 0 40 DEAB 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308.378 2.130 0 40 DEAB COc1cc(OC)c(NC(=O)N[C@@H](C)[C@H](C)CO)cc1Cl 71921085 JPRKNGVAYGXRTN-BDAKNGLRSA-N 316.785 2.496 0 40 DEAB C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)OC(C)(C)C 71910787 WNUYUWCIZOJUKT-CQSZACIVSA-N 320.437 2.117 0 40 DEAB CN(Cc1nnc2ccccn12)C(=O)CCC(=O)c1ccccc1 69486842 POUDDGOXNZZYCI-UHFFFAOYSA-N 322.368 2.351 0 40 DEAB CC[C@H](C)C(=O)N1CCN(C(=O)c2ccc(F)cc2F)CC1 69517454 UGNUGOACBJGDLP-NSHDSACASA-N 310.344 2.295 0 40 DEAB C[C@@H](N[C@H]1CCc2ncnn2C1)c1nc(-c2cccs2)no1 69737441 ISAGUPGIYABCGK-ZJUUUORDSA-N 316.390 2.055 0 40 DEAB CC[C@@H](C)n1nccc1NC(=O)N[C@H](C)C(=O)NC(C)(C)C 95446400 ROKPOGWPGQCFDU-GHMZBOCLSA-N 309.414 2.279 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1C(=O)c1ccc(F)cc1C(F)(F)F 92382308 QQOUGLMMJFUANT-WCBMZHEXSA-N 321.270 2.066 0 40 DEAB CC(=O)O[C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1 96997697 XRZRCGMSCFTPTP-VIFPVBQESA-N 314.179 2.359 0 40 DEAB CCOc1ccc(C(=O)N[C@H](CC(=O)O)C2CC2)cc1OC 95970313 HRGRYPRWGYZALG-GFCCVEGCSA-N 307.346 2.077 0 40 DEAB O=C(NCCO)c1ccc(Br)cc1C(F)(F)F 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DEAB Cc1cnc(C)c(NCc2cccc(NC(=O)CN(C)C)c2)n1 195563707 AZDITSZAVAOIJA-UHFFFAOYSA-N 313.405 2.206 0 40 DEAB CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2cccc3cc[nH]c23)C1 83956947 KPDWMXDRMDSCQX-VXGBXAGGSA-N 307.371 2.290 0 40 DEAB CC(=O)Nc1cccc2c1CCN([C@H](C)C(=O)N(C)C(C)C)C2 96447036 NNHGHMLMASCKJV-CYBMUJFWSA-N 317.433 2.258 0 40 DEAB O=C(NCCO[C@@H]1CCCCO1)Nc1ccsc1C(=O)O 95913035 WFEBOBZHCYLTEZ-SNVBAGLBSA-N 314.363 2.111 0 40 DEAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccccn1)C2 96039370 MGQWBKBPNCTHDN-AEFFLSMTSA-N 318.417 2.058 0 40 DEAB CC(C)Cc1ccc(C(=O)Cn2cnnc2[S@](C)=O)cc1 96447774 JZUIGNPOHPKJIB-OAQYLSRUSA-N 305.403 2.097 0 40 DEAB Cc1nncn1CCNC(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl 96445315 ZJPNFCDJCWLEHT-MNOVXSKESA-N 322.771 2.299 0 40 DEAB COC(=O)NCCC(=O)NCC1(c2cccc(Cl)c2)CC1 96416722 AAWHTELKHKVFTC-UHFFFAOYSA-N 310.781 2.234 0 40 DEAB Cn1cc(C(=O)N2C[C@H]3CCC[C@@]3(COCC3CC3)C2)cn1 96109190 IPQPAJZHWGKHSM-WBVHZDCISA-N 303.406 2.089 0 40 DEAB CCOC[C@@H]1CCC[C@]12CN(C(=O)c1cncc(C)c1)CCO2 96160876 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BVUQLLNCZBBUHE-OTYXRUKQSA-N 317.320 2.192 0 40 DEAB CCOC(=O)[C@@H](CC)n1cnc2sc3c(c2c1=O)CCC3 196444 HDDABMXTYMTVMD-SNVBAGLBSA-N 306.387 2.461 0 40 DEAB CC(C)CC(=O)NC(=S)Nc1ccc(OCC(=O)O)cc1 226358557 GBEZVRHZGZKSRB-UHFFFAOYSA-N 310.375 2.009 0 40 DEAB COc1ccc(CCN(C)Cn2ncn(C)c2=S)cc1OC 3257908 MQKWENOIPMGTPY-UHFFFAOYSA-N 322.434 2.100 0 40 DEAB O=C(c1cncc(Br)c1)N1Cc2cccnc2C1 585392725 NQXZKBQBZAUUFR-UHFFFAOYSA-N 304.147 2.395 0 40 DEAB O=C(c1ccsc1)N1CC[C@@H]2CN(Cc3ccncc3)C[C@H]21 1565542059 HTXDZUJQITYZIJ-GDBMZVCRSA-N 313.426 2.490 0 40 DEAB COc1ccc(CC(=O)NC[C@H]2COC3(CCCC3)O2)cc1 4941395 OFYZEVAWPPZNQP-HNNXBMFYSA-N 305.374 2.040 0 40 DEAB C[C@H](Cc1ccc2c(c1)CCO2)Nc1ncnc2c1cnn2C 1775972417 FWNAISYCSYDDEO-LLVKDONJSA-N 309.373 2.341 0 40 DEAB Cc1cc(OCC(=O)Nc2ccc(C)c(C)c2)c2nncn2n1 575607818 PFVDLRTZUJMZQC-UHFFFAOYSA-N 311.345 2.067 0 40 DEAB COCCNC(=O)Nc1ccc(NC(=O)CCNc2cc(C)cc(C)c2)cc1 97371862 KFMKTHZDCBINNX-AWEZNQCLSA-N 384.480 3.512 0 40 DEAB CC[C@H]1CN(C(=O)c2ccc(-c3nc(C)no3)cc2)CCO1 30850513 MTIFMRGGYMGWBC-AWEZNQCLSA-N 301.346 2.296 0 40 DEAB O=C(CCc1ccccc1F)NCc1nnc2n1CCCCC2 40489052 YYQMLWBGSYTOLI-UHFFFAOYSA-N 316.380 2.393 0 40 DEAB COc1ncccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 40541647 IULIVWMGJFLBFK-NSHDSACASA-N 315.304 2.294 0 40 DEAB Cc1cnc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cn1 40553554 VQHQSQLCVTZGNZ-LLVKDONJSA-N 310.357 2.161 0 40 DEAB Cc1cc(C(=O)NCCC(=O)N2CCCc3ccccc32)on1 40542472 KYDCQIUKXNRNLN-UHFFFAOYSA-N 313.357 2.082 0 40 DEAB O=C(NCCSC1CCCC1)c1n[nH]c(=O)c2ccccc12 40511124 IQNIEQQPDQQMBB-UHFFFAOYSA-N 317.414 2.329 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1 40526634 KJHYOSODZBDZLK-VXGBXAGGSA-N 300.366 2.172 0 40 DEAB Fc1cc(CN2[C@H]3CCNC[C@H]2CC3)ccc1-n1ccnc1 102280348 QHLKPOCGLCCVKS-HUUCEWRRSA-N 300.381 2.338 0 40 DEAB COc1cccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102439795 VRRUHDHYBXPDFY-BQJWYLBZSA-N 315.369 2.395 0 40 DEAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCC(N)=O 575034 HOHXTEKWKMMSFI-MDWZMJQESA-N 324.336 2.052 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nncs2)c1C 22126157 ABADNHLTQFWGHB-UHFFFAOYSA-N 311.388 2.245 0 40 DEAB CCOC(=O)c1ccc(NC(=O)Cn2cccc2C=O)cc1 33508512 JFYJAVAUFLQWMK-UHFFFAOYSA-N 300.314 2.116 0 40 DEAB CC(C)(C)C(=O)NCC(=O)Nc1ccccc1N1CCCC1 22741366 VPQYIRNHLZFZKQ-UHFFFAOYSA-N 303.406 2.388 0 40 DEAB CN(C)c1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)ccn1 54113816 HQBMMOJOYLKWAV-UHFFFAOYSA-N 322.372 2.040 0 40 DEAB NC(=O)[C@@H](NC(=O)c1ccc(-c2cnco2)cc1)c1ccccc1 54150242 SRFAXBHAQCPNQV-INIZCTEOSA-N 321.336 2.298 0 40 DEAB COC(=O)C(C)(C)NC(=O)Cc1ccc(C(F)(F)F)cc1 23152153 YUMWPBHYRZIPNW-UHFFFAOYSA-N 303.280 2.316 0 40 DEAB C[S@](=O)C[C@@H](NC(=O)Cc1cccc(O)c1)c1ccccc1 78997687 GAIHPYHTDSOGAK-OPAMFIHVSA-N 317.410 2.171 0 40 DEAB Cc1ccc([C@H]2SCC(=O)N2NC(=O)c2ccncc2)s1 1651792 RSLSYAZBMPEIRJ-CQSZACIVSA-N 319.411 2.371 0 40 DEAB COc1cccc(/C=C/C(=O)N[C@@H](C)CO[C@H]2CCOC2)c1 79057699 JQYCVIQDKPPICQ-UIQPQZRXSA-N 305.374 2.019 0 40 DEAB CC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)C[S@](=O)C2 2724907 JTYBQPUFSAFEGN-NRFANRHFSA-N 303.387 2.210 0 40 DEAB CC(C)(C)OC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccc(Cl)cc1 4299298 UOIXOTOBWPXEFC-QWRGUYRKSA-N 315.753 2.351 0 40 DEAB NC(=O)CSc1ccc(-c2ccc(Br)cc2)nn1 4356327 SLRZTIKOJUHSGS-UHFFFAOYSA-N 324.203 2.484 0 40 DEAB CCN1C(=O)C(C)(C)c2cc(S(=O)(=O)NC(C)C)ccc21 57280312 MYSWXKDLEKXNOG-UHFFFAOYSA-N 310.419 2.017 0 40 DEAB COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cn1 12545219 LSJNNILGIKMEMD-UHFFFAOYSA-N 313.357 2.179 0 40 DEAB CCN(CC)CCNC(=O)Cc1csc(-c2ccco2)n1 43562629 KUECSLATSJJBNP-UHFFFAOYSA-N 307.419 2.404 0 40 DEAB CCO[C@H](C)c1nc(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)cs1 107142034 PBESCJYWNLSOID-WZRBSPASSA-N 311.451 2.263 0 40 DEAB C[C@H]1CCCCN1Cc1ccc(NC(=O)[C@H]2CCC(=O)N2)cc1 107317397 KZHAINZFXLMNGW-XJKSGUPXSA-N 315.417 2.278 0 40 DEAB CN1CC[C@H](C(=O)N(C)[C@H]2CCCc3ccccc32)CC1=O 44377456 QKWQBKQDNFOVDE-HOCLYGCPSA-N 300.402 2.391 0 40 DEAB CC(C)CC(=O)N[C@@H](C(=O)N(C)Cc1cccnc1)C(C)C 48183207 UMMUKTSJTHRQCU-MRXNPFEDSA-N 305.422 2.227 0 40 DEAB Cc1nnc2ccc(SCC(=O)Nc3ccccc3F)nn12 44890833 DDSSRDRNRXOCLS-UHFFFAOYSA-N 317.349 2.303 0 40 DEAB CSc1nc(O)c2[n+](n1)[C@@H](c1ccco1)Nc1ccccc1-2 27233059 NJLFJDAZWZFOHM-ZDUSSCGKSA-O 313.362 2.424 0 40 DEAB CC(=O)NCCC(=O)Nc1nc2ccccc2n1C(C)(C)C 58289558 UPAPJVWJNQDDBG-UHFFFAOYSA-N 302.378 2.256 0 40 DEAB CCCc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1 102338768 OISMPAIMYAZNKP-AJNGGQMLSA-N 303.358 2.456 0 40 DEAB CO[C@@H](C(=O)NCCNC(=O)CC1CCCC1)c1ccccc1 58390657 JCAKYPNMDCBXMQ-QGZVFWFLSA-N 318.417 2.187 0 40 DEAB CCOc1ncccc1C(=O)NCCc1ccc2c(c1)OCO2 12776137 OEHIAFRHEPQBIO-UHFFFAOYSA-N 314.341 2.182 0 40 DEAB Cc1cc2nc(C)c(CCC(=O)NCc3cccnc3)c(C)n2n1 28200572 BDENEBVYAWJILR-UHFFFAOYSA-N 323.400 2.299 0 40 DEAB O=C1COc2ccc(C(=O)N[C@H]3CCOc4ccccc43)cc2N1 12899239 ZSORMMDSNWVAIU-ZDUSSCGKSA-N 324.336 2.271 0 40 DEAB Cc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)n1 11701500 MRUUWYARGMBLDL-UHFFFAOYSA-N 305.359 2.014 0 40 DEAB CSc1ccccc1NC(=O)CN(C)C1CCN(C)CC1 2633035 SLGTVEQLQMNMDK-UHFFFAOYSA-N 307.463 2.373 0 40 DEAB CC(=O)N[C@H](CC(=O)N(C)Cc1cc(C)on1)c1cccs1 25138095 ZIUHEMNZZKORMY-CYBMUJFWSA-N 321.402 2.270 0 40 DEAB Cc1nn(C)cc1CNC(=O)Nc1cccnc1N1CCCC1 96012669 OYOCTLSECUSHAI-UHFFFAOYSA-N 314.393 2.045 0 40 DEAB CN1CC[C@H](OC(=O)[C@@](O)(c2ccccc2)C2CCCC2)C1 5065156 OVGMKPGXRHJNKJ-FUHWJXTLSA-N 303.402 2.312 0 40 DEAB in-vitro Cc1cccc2sc(NC(=O)C[C@H]3CCS(=O)(=O)C3)nc12 4392402 BTGYMEGUQLZMJM-SNVBAGLBSA-N 324.427 2.368 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)c1cc(-c2ccccc2)no1 65463286 BEWHNOPXXRISFN-CYBMUJFWSA-N 308.341 2.283 0 40 DEAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@H](C)C(N)=O)n1 6463966 IIAJYRCZVSHSNT-ZCFIWIBFSA-N 312.782 2.100 0 40 DEAB O=C(CSc1ccc2c(c1)OCCO2)NCC(F)(F)F 6566469 ZMRCTQYQSAJTOK-UHFFFAOYSA-N 307.293 2.228 0 40 DEAB Cc1ccc(CNC(=O)Cn2cnc3ccccc3c2=O)cc1 6788202 OURYOFSTBVNUSJ-UHFFFAOYSA-N 307.353 2.021 0 40 DEAB O=C(c1ccoc1)N1CCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)CC1 110568366 SSOKDKGBOZQUSI-OFQRWUPVSA-N 316.401 2.390 0 40 DEAB Cc1cc(=O)c(C(=O)N[C@@H](C)CCc2ccc(O)cc2)c[nH]1 95445843 FGAPAPIHMSFTRC-NSHDSACASA-N 300.358 2.140 0 40 DEAB CC(=O)N[C@@H](C(=O)OCC(=O)c1cc(C)c(C)cc1C)C(C)C 6865276 FZMVPWXXSJCLBM-QGZVFWFLSA-N 319.401 2.498 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2ccc3c(c2)CCC3)no1 7887665 TVCNWVWCEJRUJO-UHFFFAOYSA-N 300.314 2.267 0 40 DEAB CCN(C)[C@H](C(=O)OCCNc1cccnn1)c1ccccc1 95461532 ONUJOINRDXPLLU-INIZCTEOSA-N 314.389 2.125 0 40 DEAB CC(C)[C@H](NCc1cccc2c1OCCCO2)C(=O)N(C)C 71825243 WAHGZYPBPDNIPH-HNNXBMFYSA-N 306.406 2.050 0 40 DEAB CC(=O)Nc1ccc(CCNC(=O)NCC[C@@H]2CCCO2)cc1 71803140 FAPAIQAMZXPVAP-INIZCTEOSA-N 319.405 2.056 0 40 DEAB CC(C)COCCCNC(=O)NC[C@@H](O)c1cccc(F)c1 69106571 RZQVZUUHLOYRFE-OAHLLOKOSA-N 312.385 2.221 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccnc1 8289264 XXQSWFAJXQMWHU-NSHDSACASA-N 300.314 2.274 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)Cc2n[nH]c3ccccc23)o1 81819390 NQUBZBJTUXULCB-KRWDZBQOSA-N 313.357 2.031 0 40 DEAB C[C@H](NC(=O)NC1(c2ccc(F)cc2)CCC1)c1nncn1C 69367006 GOQGWJDSOXPASA-NSHDSACASA-N 317.368 2.394 0 40 DEAB Cn1cc(-c2cc(-c3cnn(C)c3)n(Cc3ccccn3)n2)cn1 17054920 UDQNSOSNOIXXNA-UHFFFAOYSA-N 319.372 2.127 0 40 DEAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc(F)cc1F 69528435 JSWJXVPLEGPYTP-UHFFFAOYSA-N 304.256 2.273 0 40 DEAB COc1cccc(CS(=O)(=O)NCCc2cccc(F)c2)c1 69599274 MLZATFDBWZIQDD-UHFFFAOYSA-N 323.389 2.496 0 40 DEAB Cc1cc(C(=O)Nc2ncn(Cc3ccccn3)n2)ccc1F 69697645 VSGZLHHKXADTJI-UHFFFAOYSA-N 311.320 2.421 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)nc(C(C)C)n1 69706449 GQVOLWFSACCQPQ-ZDUSSCGKSA-N 318.421 2.494 0 40 DEAB Cc1ccc(C)c(-n2cnc(=O)n2CCc2c(C)noc2C)c1 92268725 YEMXJNDYDJHMDE-UHFFFAOYSA-N 312.373 2.498 0 40 DEAB Cc1nc2nc(NC(=O)c3ccccc3Cl)nn2c(O)c1C 18221962 QMWFJQUDHXXMLW-UHFFFAOYSA-N 317.736 2.352 0 40 DEAB COc1ccccc1NC(=O)COc1cc(C)ccc1C(N)=O 8724861 PBKIIZJTBLZIHU-UHFFFAOYSA-N 314.341 2.120 0 40 DEAB O=C1O[C@@H](N2CCN(Cc3ccccn3)CC2)c2ccccc21 49546330 ZXYARPKIPIVKIK-QGZVFWFLSA-N 309.369 2.068 0 40 DEAB CCc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)sc1C 72269049 VMNLRLBECLUHEY-GJZGRUSLSA-N 322.474 2.290 0 40 DEAB CC(C)c1cccc(O[C@H](C)C(=O)N[C@H](CC(N)=O)C2CC2)c1 72297855 XLLKWQNJJRMQPY-MLGOLLRUSA-N 318.417 2.348 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)CCc3cscn3)C2)no1 72231716 FSLSUZQVTNEDFC-NSHDSACASA-N 306.391 2.173 0 40 DEAB Cc1cccn2cc(CCNC(=O)c3cc(O)cc(O)c3)nc12 97102005 YCNQTRKRFYOQDT-UHFFFAOYSA-N 311.341 2.026 0 40 DEAB Cc1oc2nc(COC(=O)c3ccc(O)cc3)nc(N)c2c1C 89558686 ILLIKMIQBPSKNF-UHFFFAOYSA-N 313.313 2.484 0 40 DEAB Cc1noc(C)c1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O 75125126 FHFJRJIAZVDFHO-UHFFFAOYSA-N 313.313 2.170 0 40 DEAB Cc1n[nH]cc1CNC(=O)CCc1nc(C2CCCC2)no1 177993232 QJEPRPUELUPHBC-UHFFFAOYSA-N 303.366 2.008 0 40 DEAB COc1coc(C(=O)Nc2nnc(C3CCC3)s2)cc1=O 524732710 MBBBYMSLFIAIAL-UHFFFAOYSA-N 307.331 2.020 0 40 DEAB O=C1NC(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)S1 409107873 XJZWTTHRYSWPSK-XYOKQWHBSA-N 314.322 2.499 0 40 DEAB CCO[C@H]1C[C@@H]1C(=O)NCCc1c[nH]c2ccc(OC)cc12 79051153 TVUDNXHFUANOGZ-HOCLYGCPSA-N 302.374 2.260 0 40 DEAB NCc1nocc1C(=O)N1CCN(CC2CC2)c2ccccc21 1548554253 DXQKWQUJEUILLO-UHFFFAOYSA-N 312.373 2.010 0 40 DEAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)c1cccnc1N 71195605 IHQJKWXBTAHTOI-CYBMUJFWSA-N 313.405 2.423 0 40 DEAB COc1ccc(F)cc1S(=O)(=O)NCc1ccsc1 38586558 RZHBBTQKYXQGOB-UHFFFAOYSA-N 301.364 2.374 0 40 DEAB Cn1ncc(N[C@H](CCCO)c2ccccc2)c(Cl)c1=O 77238109 AHCNNRCZVMYYMR-GFCCVEGCSA-N 307.781 2.359 0 40 DEAB Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CN 35415799 UQRQONMMFCOPBH-IMJJTQAJSA-N 314.408 2.363 0 40 DEAB biogenic,in-vitro Cn1cccc(C(=O)NCc2cc(-c3cccs3)on2)c1=O 36662405 JDPVRMUBNKRKDX-UHFFFAOYSA-N 315.354 2.032 0 40 DEAB C[C@@H]1CN(c2cccc(F)c2)CCN1c1nc(C(=O)O)co1 563204715 IARNLTYWTNRPNK-SNVBAGLBSA-N 305.309 2.227 0 40 DEAB Cc1cccc(/C=C2\SC(=O)N(CN3CCOCC3)C2=O)c1 33908991 QPQUYIXHUOXKAT-UVTDQMKNSA-N 318.398 2.321 0 40 DEAB CCc1noc(CC)c1CN[C@@H]1CCCC[C@H]1S(C)(=O)=O 183098348 NVKTUXLOHACSRZ-UKRRQHHQSA-N 314.451 2.245 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC(CCC(=O)O)CC1 49923615 SNTUPIMVSQFIRR-UHFFFAOYSA-N 311.403 2.261 0 40 DEAB CCn1ccc(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)n1 226748809 RNYKYYMMAMIOGR-ZDUSSCGKSA-N 301.346 2.490 0 40 DEAB CCO[C@H]1C[C@](O)(CNC(=O)c2ccncc2Cl)C1(C)C 225612733 YXHHHIOZXSMOKE-WFASDCNBSA-N 312.797 2.031 0 40 DEAB COc1cccc(CNCc2ccc(S(C)(=O)=O)cc2)c1 44353057 BARQDRXKFMAYAE-UHFFFAOYSA-N 305.399 2.389 0 40 DEAB CN1C(=O)c2ccccc2O[C@H]2CN(C(=O)c3ccccc3)C[C@H]21 514288803 BUIITLMOTOIFED-WBVHZDCISA-N 322.364 2.044 0 40 DEAB biogenic,in-vitro Cc1ccc2c(c1)c(=O)ccn2CC(=O)NCc1ccccn1 225743747 ODVZJRXJZMYAKS-UHFFFAOYSA-N 307.353 2.021 0 40 DEAB CCCCCCc1ccc(S(=O)(=O)Nc2nnn[nH]2)cc1 96749869 XOFIZADECMMKKN-UHFFFAOYSA-N 309.395 2.123 0 40 DEAB c1cnc(N2CCC[C@]3(CCN(Cc4ccncc4)C3)C2)nc1 96216857 JCUBFRWWRNAFPE-GOSISDBHSA-N 309.417 2.364 0 40 DEAB COCC(=O)N1C[C@H]2CCC[C@@]2(COCc2cccc(C)n2)C1 96109302 FZLZHXWHBNRTJK-QAPCUYQASA-N 318.417 2.182 0 40 DEAB CC(C)[C@H](NC(=O)CCCC(=O)c1ccc(Cl)cc1)C(N)=O 96408450 FKMSLUYUYVFOMV-HNNXBMFYSA-N 324.808 2.319 0 40 DEAB O=C(CNc1c(F)cccc1-n1cccn1)NCc1ccco1 69847975 IKYMHORXENQYRG-UHFFFAOYSA-N 314.320 2.333 0 40 DEAB c1cnc(N2CCC3(CCN(Cc4cccnc4)CC3)C2)nc1 96157528 GNXXTBBOKHJHOW-UHFFFAOYSA-N 309.417 2.364 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C[C@@H](C)O1 96192091 XAIMLASTCXNTFS-ZIAGYGMSSA-N 312.369 2.087 0 40 DEAB CCONC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 95442227 CCYHXCLOUMAEGT-ZANVPECISA-N 314.744 2.066 0 40 DEAB Cc1ccc2nc(CO[C@H]3CN(C(=O)C4CC4)C[C@H]3F)[nH]c2c1 96112071 QIYZLFYYEALMOJ-DOMZBBRYSA-N 317.364 2.347 0 40 DEAB biogenic,in-vitro CCCc1nc(CN2CCC[C@H]2[C@@H]2CCCN2C(=O)CC)no1 69840724 GGAAMRQQBQIVQB-KBPBESRZSA-N 320.437 2.388 0 40 DEAB CCN(CCN(C)C)Cc1cnc([C@]2(C)CCCCO2)nc1 257203517 AQKXAFQRFVHQHK-KRWDZBQOSA-N 306.454 2.276 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@H]2NCCC[C@@]21C 257210863 BWLPWRBUZJTMQN-AEFFLSMTSA-N 302.418 2.371 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCCN(C2CCCCC2)C1 252487619 ZNYBWBYKRPGUCO-OFQRWUPVSA-N 309.454 2.260 0 40 DEAB O=C1CN(C(=O)[C@@H]2CCCc3ccccc32)c2ccncc2N1 390833985 PXAPFKAVHXUEFX-CQSZACIVSA-N 307.353 2.487 0 40 DEAB CO[C@H]1CN(C(=O)c2nonc2C)CC[C@@H]1Cc1ccccc1 585278330 CBLZQPDAHONOCT-CABCVRRESA-N 315.373 2.098 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2cnc[nH]2)C1 585275160 YMQGRPSYWHCYHV-MRXNPFEDSA-N 305.353 2.219 0 40 DEAB COc1ccc(Cl)cc1CNCC1CCN(CCO)CC1 69415286 BZHXAMOVSGIXDE-UHFFFAOYSA-N 312.841 2.143 0 40 DEAB C[C@@](O)(CNS(=O)(=O)Cc1ccccc1)c1cccs1 77183463 LRTXYYDWRQYBLG-CQSZACIVSA-N 311.428 2.075 0 40 DEAB Cc1ncsc1-c1nc(CC(=O)NCc2ccccc2)no1 78773480 BBHBUPFUDBVSTK-UHFFFAOYSA-N 314.370 2.360 0 40 DEAB O=C1CC[C@@H](NC(=O)COC2CCCC2)[C@H](c2ccccc2)N1 514718300 IOXWPJIZAKUEKF-QAPCUYQASA-N 316.401 2.082 0 40 DEAB CS(=O)(=O)/C=C(/I)c1ccccc1 336471 UUVVDTGLPNOXFB-VQHVLOKHSA-N 308.140 2.465 0 40 DEAB CN1C[C@@H](C(=O)NCc2ccncc2)[C@@H]2COc3ccccc3[C@@H]21 1772595569 GPUSTKGEWXBURA-RYRKJORJSA-N 323.396 2.009 0 40 DEAB CC[C@H](C)NC(=O)Cn1cccc2cc([C@@H]3CCCNC3)nc1-2 12241871 VXABRGGIUDEMJK-DZGCQCFKSA-N 314.433 2.370 0 40 DEAB Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 16293029 GUQQFNCKLGBFJO-UHFFFAOYSA-N 318.398 2.254 0 40 DEAB CCOc1cccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)c1 17970392 XDHCZLFMKFEOQJ-UHFFFAOYSA-N 319.386 2.208 0 40 DEAB COc1ccccc1[C@@H]1CCCN1CC(=O)Nc1nonc1C 19654448 BZXJWSLFSLMSNK-ZDUSSCGKSA-N 316.361 2.162 0 40 DEAB Cc1ccccc1[C@@H]1CC(=O)c2cnc3nc(N)[nH]c(=O)c3c2C1 19819883 WGGNVJDUBPDVMK-JTQLQIEISA-N 320.352 2.121 0 40 DEAB O=C(Cc1cccc(F)c1)N1CCC(O)(c2ccccn2)CC1 13267837 ODSFDDXSDDFGOB-UHFFFAOYSA-N 314.360 2.273 0 40 DEAB CN(C)[C@H](CNC(=O)c1ccc2c(c1)OCCO2)c1ccco1 5958923 QXWJNBOXSJZZTN-CYBMUJFWSA-N 316.357 2.084 0 40 DEAB Cc1ncnc(OCC2CCN(c3ncncc3F)CC2)c1C 1565519314 KPBSAHAZKXCBNV-UHFFFAOYSA-N 317.368 2.318 0 40 DEAB Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)OCO4)o2)on1 11613069 HFBTVPZXIDNSDL-UHFFFAOYSA-N 314.257 2.014 0 40 DEAB CC1=CC[C@H](C(=O)O)[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 3640378 RRJNVSTZJCFTLZ-STQMWFEESA-N 317.341 2.089 0 40 DEAB O=C(O)c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 100186148 GFLFKUHYSVELRX-QQXRRDQMSA-N 317.728 2.350 0 40 DEAB O=C(NCc1ccccc1Cl)C1(n2cnnn2)CCCCC1 40268536 UKRYJBMHMAEEKF-UHFFFAOYSA-N 319.796 2.302 0 40 DEAB Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)c(Cl)c1 20471358 YMQMRGWLCBWBKN-UHFFFAOYSA-N 314.750 2.476 0 40 DEAB O=C(NCCCOC[C@H]1CCCO1)[C@@H]1Cc2ccccc2S1 32880039 HYNRSBURPWWUTH-ZBFHGGJFSA-N 321.442 2.405 0 40 DEAB CC(=O)N1C[C@@H](C(=O)Nc2ncccc2C)Oc2ccccc21 21893498 UCBXRMWRQFVXFJ-HNNXBMFYSA-N 311.341 2.143 0 40 DEAB CCCN1C(=O)/C(=C/c2ccc(OC)cc2OC)NC1=S 578618 FOBIWNLTUYLDSO-WQLSENKSSA-N 306.387 2.171 0 40 DEAB NC(=O)COc1cccc(NC(=O)c2ccccc2Cl)c1 22753890 ZRFDKMRGQPFZGS-UHFFFAOYSA-N 304.733 2.456 0 40 DEAB Cc1cccc(N(CC(=O)N2CCCCCC2)S(C)(=O)=O)c1 879152 VNZYFKLAUJLZTJ-UHFFFAOYSA-N 324.446 2.164 0 40 DEAB Cc1ccc(NC(=O)COc2cccc(-n3cnnn3)c2)cc1C 411535 JTEVLHNVYQKHIV-UHFFFAOYSA-N 323.356 2.297 0 40 DEAB Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N)cc2)n1 413960 QDZVTIMRPSHJDI-UHFFFAOYSA-N 322.372 2.178 0 40 DEAB CNC(=O)[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 78626098 AKFGGWQKESFHFS-GNFNDJEDSA-N 304.434 2.187 0 40 DEAB CCN(Cc1cccc(F)c1)Cc1nc(O)c2cnn(C)c2n1 54417814 GJYCIKHONDYVBK-UHFFFAOYSA-N 315.352 2.230 0 40 DEAB Clc1ccc2oc(-c3cnc(N4CCNCC4)nc3)nc2c1 3031004 KIRDXCDFTNVWRS-UHFFFAOYSA-N 315.764 2.348 0 40 DEAB Cc1cc(CN2C(=O)c3ccccc3S2(=O)=O)cc(C)n1 1273927 RXKVGDIJOTXWKF-UHFFFAOYSA-N 302.355 2.043 0 40 DEAB Cc1cnc([C@H](C)CNC(=O)NC[C@@H]2CCCN(C)C2)s1 97110244 FXALFNHBFRTDIY-YPMHNXCESA-N 310.467 2.196 0 40 DEAB CCOC(=O)N1CCN(c2ncccc2Br)CC1 226567211 KVDRPJRBOBLXRO-UHFFFAOYSA-N 314.183 2.123 0 40 DEAB COc1cc(C(=O)CSc2nccn2C)cc(OC)c1OC 12555422 CYLXGVFCOODKLX-UHFFFAOYSA-N 322.386 2.421 0 40 DEAB C[C@@H]1CN(C(=O)Nc2cccc(C(=O)N(C)C)c2)C[C@@H](C)O1 43993092 GODSFJDGXIKGQL-VXGBXAGGSA-N 305.378 2.030 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)N1CCN([C@H](C)c2ccsc2)CC1 108501340 BCGAOYTWVCFKGX-IPYPFGDCSA-N 323.462 2.314 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)N(Cc2ccccn2)C2CC2)C1 48251768 CSAGDHLQAVWLOB-ZDUSSCGKSA-N 309.435 2.023 0 40 DEAB Cc1cccc(CCNC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 58185666 BFTFTKVQKFTVHN-KRWDZBQOSA-N 324.428 2.360 0 40 DEAB COc1ncccc1NC(=O)N1CCC[C@H](N2CCCC2)C1 48264803 DMGFSBDZYXPRKB-ZDUSSCGKSA-N 304.394 2.182 0 40 DEAB CCCCCNC(=O)C1CCN(c2nccnc2OC)CC1 95396738 VVFDORKVKLGXOY-UHFFFAOYSA-N 306.410 2.008 0 40 DEAB CCNC(=O)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 44910575 DZJMKGQTXUZONN-NSHDSACASA-N 308.426 2.276 0 40 DEAB C[C@H](NC(=O)N[C@H](C)[C@H](C)CO)c1cccc(-n2ccnc2)c1 84640247 VVNYMHUJPVGLEC-MCIONIFRSA-N 316.405 2.249 0 40 DEAB COc1cc(C)c(S(=O)(=O)Nc2cc(C)nn2C)cc1C 58304552 YLYFJEGRZAVBIO-UHFFFAOYSA-N 309.391 2.155 0 40 DEAB COc1ccc(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)cc1 58308936 VXGYHUGFHYJIHR-LLVKDONJSA-N 316.323 2.309 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN1CCOc1ccc(Cl)cc1 45096749 YJERUOFHTXKYPS-OAHLLOKOSA-N 308.809 2.462 0 40 DEAB COCCCNC(=O)CSc1nc2ccccc2nc1C 28190952 XUYWVWNTCLEWND-UHFFFAOYSA-N 305.403 2.183 0 40 DEAB Cc1c(C(=O)OCC(=O)NC[C@H]2CCCO2)oc2ccccc12 3393042 BEHYKBFRROFORA-GFCCVEGCSA-N 317.341 2.193 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc3ccccn23)C1 3328777 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CC[C@@](C)(O)CNC(=O)Nc1cc(F)c(N(C)C)c(F)c1 66160541 KCGDTTWTTSGCNT-CQSZACIVSA-N 301.337 2.313 0 40 DEAB Cc1nc(S(=O)(=O)N2CCC3(CCCCC3)CC2)cn1C 66103131 IHYQALKBHKDVCR-UHFFFAOYSA-N 311.451 2.464 0 40 DEAB O=C(NCCc1ccccc1)C(=O)NCc1ccc(Cl)cc1 5603039 FZWMOWKBMIHYJJ-UHFFFAOYSA-N 316.788 2.315 0 40 DEAB Cc1cc(N)nc(SCC(=O)N2CCCc3ccccc32)n1 7047811 UOLLSKPFHRXSJB-UHFFFAOYSA-N 314.414 2.439 0 40 DEAB COc1ccc(C(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c(C)c1 95411704 KXFCHXVOTKNYIE-CABCVRRESA-N 304.390 2.168 0 40 DEAB COC[C@@H](O)CNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 80201785 YANVJUFDNUHPLC-ZFWWWQNUSA-N 308.422 2.389 0 40 DEAB Cc1cccc2c1N(C(=O)CC(=O)Nc1nccs1)CC2 96485988 DRPOETJGZUNNEM-UHFFFAOYSA-N 301.371 2.369 0 40 DEAB CCc1ccc([C@H]2COCCN2c2cc(C)nc3ncnn23)o1 96453866 JBRXNXNUPDAGDO-CYBMUJFWSA-N 313.361 2.166 0 40 DEAB COc1ccccc1OCCNC(=O)COc1ccccc1 7842548 RXMCLZUCECUWEQ-UHFFFAOYSA-N 301.342 2.269 0 40 DEAB C[C@@H](CNc1ccccc1)NC(=O)c1cc(-n2cccn2)ccn1 96475444 LVDUPMTXVPOACT-AWEZNQCLSA-N 321.384 2.498 0 40 DEAB CC(C)COC[C@@H](C)NS(=O)(=O)Cc1cccc(F)c1 68910434 YQGWRRORJHYASR-GFCCVEGCSA-N 303.399 2.306 0 40 DEAB Cc1ccc(N2CCCC2)c(C(=O)N[C@@H]2C=C[C@H](CO)C2)c1 81765530 BCCFOSHNAGBAPY-LSDHHAIUSA-N 300.402 2.262 0 40 DEAB Cc1cc(C[S@](=O)CC(=O)Nc2c(C)cccc2C)no1 71846929 PMRZSFVCNCJELP-OAQYLSRUSA-N 306.387 2.487 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(Cc2nc3ccccc3s2)C1 71830533 RQEOTQNWWDAIQN-GFCCVEGCSA-N 316.430 2.286 0 40 DEAB Cn1cc(CCNC(=O)Cc2coc(-c3cccs3)n2)cn1 69350186 WDGDIRPSASVVSC-UHFFFAOYSA-N 316.386 2.038 0 40 DEAB COCCN1CCC(NC(=O)C2(c3cccc(C)c3)CC2)CC1 71830709 NRUHIMJRTSBVBD-UHFFFAOYSA-N 316.445 2.254 0 40 DEAB Cc1cc(CN2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)no1 71810505 ZNPSDOYCPXAXQC-LBPRGKRZSA-N 317.393 2.122 0 40 DEAB CN(C(=O)[C@@H]1C[C@@H]1c1ccco1)c1ccccc1S(C)(=O)=O 83869780 ALEYOEWSKIXWMI-NWDGAFQWSA-N 319.382 2.450 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cn3ccsc3n2)n1 69699782 GDTPKFXSLJCIDU-AWEZNQCLSA-N 316.434 2.269 0 40 DEAB O=C1C[C@@H](C(=O)N2CCC[C@@H]2Cn2cccn2)c2ccccc2N1 69779548 FMPJBLHVSBTQAN-UKRRQHHQSA-N 324.384 2.000 0 40 DEAB Cc1noc(C)c1C(=O)Nc1ccc(N2CCN(C)CC2)cc1 8778361 CVAQGBDLWBBXOR-UHFFFAOYSA-N 314.389 2.296 0 40 DEAB NC(=O)c1cc(N2CCCCC2)ccc1NC(=O)c1cc[nH]c1 92454484 IPVNRTLUCUCAPY-UHFFFAOYSA-N 312.373 2.356 0 40 DEAB CCN(CC)C(=O)[C@@H](C)Sc1nnc(-c2ccncc2)o1 97055097 HZFZETYEZFUFET-SNVBAGLBSA-N 306.391 2.481 0 40 DEAB O=C(CCn1ccc2ccccc21)N[C@H]1CC[C@H](C(=O)O)C1 97039283 KELRSURPNUVYQS-KBPBESRZSA-N 300.358 2.401 0 40 DEAB O=C(NCc1ccn(-c2ccc(F)cc2)n1)c1cncc(O)c1 95979839 ISLVMZFNGLIXPZ-UHFFFAOYSA-N 312.304 2.042 0 40 DEAB COCCS[C@@H](C(N)=O)c1ccc(Br)cc1F 89420234 FVDVGCZZKPRKGH-SNVBAGLBSA-N 322.199 2.494 0 40 DEAB Cc1csc([C@H](Nc2ncccc2S(N)(=O)=O)C2CC2)n1 89705421 BFCUVGFDLDOYTN-LLVKDONJSA-N 324.431 2.057 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCC2(CCOC)CC2)C12CCC2 89985750 GAXBIVCREVLDSD-KBPBESRZSA-N 310.438 2.450 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12 89937683 LFWGCERQASXZBZ-NNNHXZLVSA-N 318.808 2.163 0 40 DEAB CC[C@H](c1ccncc1)N(C)C(=O)Nc1ccc(C(N)=O)nc1 89947961 JEAHYGOJYZZVPE-CQSZACIVSA-N 313.361 2.191 0 40 DEAB O=C(NCc1ccsc1)N1CCC[C@@H](CN2CCOCC2)C1 69924615 JJGGKVVMHGPIRW-HNNXBMFYSA-N 323.462 2.002 0 40 DEAB Cc1ncn(-c2ccc(NC(=O)C3(n4ccnn4)CC3)cc2)c1C 1553929211 GVRHIJWAQKBDHZ-UHFFFAOYSA-N 322.372 2.208 0 40 DEAB COC(=O)[C@]1(C)C(=O)C[C@H]2CC[C@@H]1N2Cc1cccc(OC)c1 72340185 YVNQJCOHOOYXGB-XUWXXGDYSA-N 317.385 2.180 0 40 DEAB COc1ccc(Cl)cc1CCNC(=O)N1CCOC[C@H]1C 79028336 LSSVWYBRCJKYRA-LLVKDONJSA-N 312.797 2.321 0 40 DEAB Cc1cccc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)c1C 76329323 BPALRAXHOSMHNY-AWEZNQCLSA-N 318.465 2.308 0 40 DEAB CC(C)(C)C(=O)N[C@@H](N1CCOCC1)C(Cl)(Cl)Cl 33599766 AFDOBWSRHCRQRM-QMMMGPOBSA-N 317.644 2.177 0 40 DEAB Cc1nc(CCC(=O)N(C)C)cc(C2CCN(C(C)C)CC2)n1 72366980 KZKXPTVZYWEKCA-UHFFFAOYSA-N 318.465 2.394 0 40 DEAB C[C@@H]1CCCC[C@H]1N(C)C(=O)CN[C@H](CO)c1ccccc1 183771679 QNCDNLMZDLPLEN-DJIMGWMZSA-N 304.434 2.347 0 40 DEAB Cc1nc(C(=O)N(C)C)ccc1C(=O)OCCc1ccccc1 78445796 OEUSCLQNXWFNOM-UHFFFAOYSA-N 312.369 2.491 0 40 DEAB CN1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3)o2)CC1 41019236 AVOSLHYTJPSEDD-UHFFFAOYSA-N 317.364 2.187 0 40 DEAB Cc1cccn2cc(CCNc3cn[nH]c(=O)c3Cl)nc12 80675752 QKIFMPKYWVFQCM-UHFFFAOYSA-N 303.753 2.034 0 40 DEAB COC(=O)c1cc(-n2cnnc2)ccc1N1CCCC[C@H]1C 226277662 OMWDFJMWSZOKIA-GFCCVEGCSA-N 300.362 2.433 0 40 DEAB CCOCC(=O)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109377 GTWVVNRPXVHYMM-PBHICJAKSA-N 304.390 2.126 0 40 DEAB c1ccc(O[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 96107823 VQEDGFSHZGMSEL-WBVHZDCISA-N 300.358 2.487 0 40 DEAB C[C@@H](CNC(=O)N(C)Cc1cc(F)c(F)c(F)c1)[S@@](C)=O 96494741 HLODZYIMULHDPH-PPRQPISWSA-N 322.352 2.012 0 40 DEAB CO[C@@H](C)c1nc(CN(C)C(=O)c2cnc(C)cn2)cs1 96455978 ICZOHELEKBLPFJ-JTQLQIEISA-N 306.391 2.221 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)N1CCC[C@H]1CO 96503324 KZPDIFIEKUASKI-YPMHNXCESA-N 308.426 2.174 0 40 DEAB Cc1cccc(CN2Cc3nc(C(=O)NC(C)C)oc3C2)n1 96254360 RNMJUVTWTOZELQ-UHFFFAOYSA-N 300.362 2.032 0 40 DEAB Cc1noc(CCNC(=O)c2cccc(Br)c2C)n1 96430773 DTLRSKYHQMNDGQ-UHFFFAOYSA-N 324.178 2.421 0 40 DEAB C[C@](Br)([C@H](O)c1ccc(F)cc1)S(C)(=O)=O 96521258 XAZVTLOFIBTYMU-NXEZZACHSA-N 311.172 2.015 0 40 DEAB COCCCNC(=O)CN1CCS[C@H](C)[C@@H]1c1ccccc1 96411487 JVTZJJLQVVHKST-RHSMWYFYSA-N 322.474 2.318 0 40 DEAB Cc1nsc(C(=O)N2CCN(c3ccccc3Cl)CC2)n1 96098447 IHOQWVQCVAMEDE-UHFFFAOYSA-N 322.821 2.462 0 40 DEAB Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3CC3CCOCC3)O2)o1 96065535 SXBHEPMLEYJKJZ-RBSFLKMASA-N 307.394 2.099 0 40 DEAB CCOC[C@@H]1COCCC12CCN(Cc1cnn(C)c1)CC2 96106388 CSMLVCZSVKPHSE-MRXNPFEDSA-N 307.438 2.075 0 40 DEAB CC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)c3ccccn3)[C@H]2C1 96156998 GOOGBVYXKWBATL-BQFCYCMXSA-N 321.380 2.128 0 40 DEAB O=C(c1cocn1)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109248 WFPVUCKCBDBYIG-DYVFJYSZSA-N 313.357 2.391 0 40 DEAB c1cnc(N2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)nc1 96039809 RWYSRZDQWZHQTI-DOTOQJQBSA-N 303.406 2.279 0 40 DEAB Cc1ncsc1CN1Cc2ccnn2C[C@H](OCC2CC2)C1 248018958 IIINAEAVPIHPRI-OAHLLOKOSA-N 318.446 2.459 0 40 DEAB CN1CCN2[C@@H](C1)CN(C(=O)c1ccc(Cl)cc1)CC2(C)C 253400461 LHBYQFGYSOPBMH-HNNXBMFYSA-N 321.852 2.190 0 40 DEAB biogenic,in-vitro CC(C)c1cc(C(=O)N2CCC[C@H]2c2ccnc(O)n2)on1 257274402 NKYSEGNFBIQSKA-LBPRGKRZSA-N 302.334 2.271 0 40 DEAB COc1cccc(C[C@@H]2CN(C(=O)c3cccnc3)CCO2)c1 257203707 ARGYHOAJJGRYNX-QGZVFWFLSA-N 312.369 2.174 0 40 DEAB O=C(c1cccnc1)N1CCC(c2ccnc3ccnn23)CC1 257309481 UBCMSHYTEGVWPP-UHFFFAOYSA-N 307.357 2.144 0 40 DEAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1ccc(-c2ccc(F)cc2)o1 257199596 AABFSVTWJNGIPY-XJKCOSOUSA-N 319.332 2.090 0 40 DEAB O=C(O)C[C@@H]1CCCN1C(=O)c1cc(F)cc2cccnc12 262965549 OEPCHHNTXFKXGE-LBPRGKRZSA-N 302.305 2.453 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H](C)c2c(C)n[nH]c2C)c(C)c1 585142011 LSXUEXTXXOKBFZ-LBPRGKRZSA-N 323.418 2.383 0 40 DEAB Cc1ccccc1O[C@@H]1CCC[C@H](N2CCCN(C)CC2)[C@H]1O 585288677 HHPJHDSSRGIHME-QXAKKESOSA-N 318.461 2.293 0 40 DEAB CCc1ccc(S(=O)(=O)NCCN2CCC[C@H](C)C2)cc1 46035156 NXACFSZWKNQLNM-AWEZNQCLSA-N 310.463 2.259 0 40 DEAB O=S(=O)(Nc1cccc2nc[nH]c12)c1c[nH]c2ncccc12 75094377 CQPLWDUUIODVQV-UHFFFAOYSA-N 313.342 2.240 0 40 DEAB C[C@@H]1CCN(C(=O)c2nccnc2N)[C@H]1c1cccc(F)c1 76093660 GWAMZPFXWDJNNA-QMTHXVAHSA-N 300.337 2.421 0 40 DEAB CC[C@@H](C(=O)N1CCC(S(C)(=O)=O)CC1)c1ccccc1 96098177 OFKMKIXESIDUAX-OAHLLOKOSA-N 309.431 2.216 0 40 DEAB N[C@@H](CCNCCc1ccccc1)CNCCc1ccccc1 19366538 UKAYRRZPOZQDMD-FQEVSTJZSA-N 311.473 2.368 0 40 DEAB O=C(NCc1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 169799997 MJINMYSBOXKORR-UHFFFAOYSA-N 301.186 2.159 0 40 DEAB C[C@@H](C(=O)N(C)Cc1ccccn1)N1CCc2ccccc2C1 78777284 BYFVWDOKVYLITE-HNNXBMFYSA-N 309.413 2.487 0 40 DEAB O=C(N1CC(n2ccnn2)C1)C1(c2cccs2)CCCC1 253394023 VQMIGVQVVMOOPD-UHFFFAOYSA-N 302.403 2.235 0 40 DEAB O=C(CCCc1nc2ccccc2s1)N[C@@H]1CCOC1=O 6053819 LHVLCZBZVVEJMJ-LLVKDONJSA-N 304.371 2.051 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1cc(Br)ccc1O 25046154 IZNFWPOJNKIQOT-UHFFFAOYSA-N 324.178 2.160 0 40 DEAB O=C(CN1C(=O)CCC1=O)Nc1ccc2c3c(cccc13)CC2 3264902 CDBTXOZVERQPLB-UHFFFAOYSA-N 308.337 2.026 0 40 DEAB Cc1ccc(CNC(=O)c2cnc3ccc(C)cn3c2=O)cc1 9830053 OPKLDPKUGLHCIR-UHFFFAOYSA-N 307.353 2.241 0 40 DEAB CN(C)[C@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccsc1 40500873 OUIUZHJXZURNDK-GDBMZVCRSA-N 316.426 2.471 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1nncs1 40525260 REIZRZDFWXAGIW-LLVKDONJSA-N 321.406 2.480 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 40540567 UJUXAMPOLQCOCU-TXEJJXNPSA-N 314.393 2.481 0 40 DEAB CCC[C@]1(C)NC(=O)N(C[C@H](O)c2ccc(F)cc2F)C1=O 51373872 NWBRLYGIOQBTBV-WFASDCNBSA-N 312.316 2.109 0 40 DEAB CCN(CC(=O)N(C)C)Cc1coc(-c2ccc(OC)cc2)n1 51791557 AWBYLPXVLSPTEG-UHFFFAOYSA-N 317.389 2.260 0 40 DEAB Cc1c(Cl)cccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1 21010911 XXPXJWRCKMOFDN-UHFFFAOYSA-N 314.750 2.476 0 40 DEAB CCCCn1nnc(NCc2cc(OC)c(OC)c(OC)c2)n1 32617095 QPYBINDQILHYBM-UHFFFAOYSA-N 321.381 2.111 0 40 DEAB Cc1ccc(C(=O)N2CCCC[C@H]2C)cc1NS(C)(=O)=O 32776899 AUAXOKGSKZKTCW-GFCCVEGCSA-N 310.419 2.381 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)[C@H]3COc4ccccc4C3)cc12 22473058 LORNNKWLFDUSHS-CYBMUJFWSA-N 322.368 2.467 0 40 DEAB CC(C)[C@H](CNC(=O)Nc1ccccc1F)N1CCN(C)CC1 22932051 UWQKCGMUYPBJGE-INIZCTEOSA-N 322.428 2.219 0 40 DEAB CC(C)(C)NC(=O)c1cccc(NC(=O)N2CCC[C@H](O)C2)c1 47586138 MHMLWBLKYLGWLL-AWEZNQCLSA-N 319.405 2.204 0 40 DEAB CCc1nnc(CN2CCCN(C(=O)c3ccsc3)CC2)o1 54363385 IMDKAMZULJDEOR-UHFFFAOYSA-N 320.418 2.042 0 40 DEAB CCCc1noc([C@@H](C)N2CCn3c(nnc3C3CC3)C2)n1 78788039 SZNRWQYYRJULBS-SNVBAGLBSA-N 302.382 2.068 0 40 DEAB O=C(Cc1cccc(F)c1)NCCc1nnc2n1CCCCC2 54450615 ZICUDFSWBNFZDS-UHFFFAOYSA-N 316.380 2.045 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)NCCc1ccc(OC)cc1 2156859 QAXVIQVHHJQSFX-HNNXBMFYSA-N 322.405 2.125 0 40 DEAB biogenic COc1ccc(C(=O)N2C=Cc3ccccc3[C@H]2C(N)=O)cc1 4962802 FPIOTLJQXBQJRD-INIZCTEOSA-N 308.337 2.348 0 40 DEAB COc1ccc2nc(NC(=O)CN3CCCCC3=O)sc2c1 24824246 XXVCPSBVIOCRIL-UHFFFAOYSA-N 319.386 2.256 0 40 DEAB CNC(=S)N(Cc1ccncc1)c1ccc2c(c1)OCO2 7559652 ZFBNKTKLUKAENU-UHFFFAOYSA-N 301.371 2.321 0 40 DEAB C[C@@H]1CN(CCC(=O)NC2CCCC2)CCN1c1nccs1 95351852 FKOUHKPIBCLEPK-CYBMUJFWSA-N 322.478 2.103 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)NCCOc2cc(C)cc(C)c2)C1 55526869 IRMIMSIHXRLNGY-INIZCTEOSA-N 318.417 2.057 0 40 DEAB COc1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1Cl 25765413 SGPZXXSDIXNZKP-GHMZBOCLSA-N 312.797 2.396 0 40 DEAB O=C([C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1cccc(F)c1)N1CCCC1 107806058 NNTHLMWSFGSRGB-RCBQFDQVSA-N 316.376 2.441 0 40 DEAB Cc1cccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[nH]2)c1C 57523527 ZQPQALPDPXRLFI-CQSZACIVSA-N 322.372 2.177 0 40 DEAB COc1ccc2c(CC(=O)O[C@@H](C)C(=O)NC3CC3)coc2c1 12784654 FJBPAYZQLZQBCP-JTQLQIEISA-N 317.341 2.194 0 40 DEAB O=C(CN(Cc1ccccc1)Cc1ccccc1)Nc1nc[nH]n1 10150407 UDFRFRVRZQBWFX-UHFFFAOYSA-N 321.384 2.446 0 40 DEAB Cc1cccc(NC(=O)Cn2ncc(-c3ccccc3)nc2=O)c1 44803950 LVOSSOQGCWDHPS-UHFFFAOYSA-N 320.352 2.252 0 40 DEAB CC[C@H](Nc1ccc2nnc(CO)n2n1)c1ccc(OC)cc1 95460589 KDEXREFZDUSWRW-ZDUSSCGKSA-N 313.361 2.188 0 40 DEAB C[C@@H](NC(=O)NC[C@H]1COc2ccccc2O1)c1ccncc1 44909938 GNBSFHGBNFKAJF-OCCSQVGLSA-N 313.357 2.282 0 40 DEAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1ccc(F)c(F)c1 12751867 SQIAQQICJSOVCK-UHFFFAOYSA-N 301.256 2.397 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3CN3CCCC3)cc12 58378479 MWPUNJQCUXURMZ-CQSZACIVSA-N 314.389 2.232 0 40 DEAB COc1ccc(O[C@@H](C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 11558832 SKYUGVFVLZWLII-NSHDSACASA-N 311.341 2.399 0 40 DEAB O=C(O)C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 36855252 GBKUIQLNOAPMMR-UHFFFAOYSA-N 302.252 2.037 0 40 DEAB C[C@H]1CN(c2ccc(NC(=S)NC3CC3)cn2)C[C@@H](C)O1 84713827 FEWRAPALXBAQEY-PHIMTYICSA-N 306.435 2.144 0 40 DEAB CC(C)[C@H](Sc1c(F)cc(F)cc1F)C(=O)NC(N)=O 48620973 OXFOYXIJXSWJLI-VIFPVBQESA-N 306.309 2.416 0 40 DEAB Cc1ccc(OCCNS(=O)(=O)N2CCCCCC2)cc1 13000138 LYCKLBRPDMDCHX-UHFFFAOYSA-N 312.435 2.084 0 40 DEAB CSc1cccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)c1 3907033 KSXDTYFVTHBTRA-WDEREUQCSA-N 314.457 2.089 0 40 DEAB CCC(CC)(CCO)CNC(=O)[C@@H](C)c1c(C)nn(C)c1C 95417903 KGENTJXFXDBOKW-LBPRGKRZSA-N 309.454 2.445 0 40 DEAB Cc1nc2n(n1)[C@H](CC(=O)Nc1cccc3ccccc13)C(=O)N2 13736235 UQLFGNZOJKJIQI-CQSZACIVSA-N 321.340 2.262 0 40 DEAB Cn1cc(NC(=O)[C@H]2SCCc3ccccc32)cc1C(N)=O 95404091 FYYOWAZNYQFUKK-AWEZNQCLSA-N 315.398 2.093 0 40 DEAB CC(=O)N[C@H](CC(=O)Nc1nnc(C)s1)c1ccc(C)cc1 14051244 NCCMEAQNECLXPA-CYBMUJFWSA-N 318.402 2.361 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2cccc(OC)c2O)cc1 14160820 UEHBCMHWALRDNN-UHFFFAOYSA-N 315.325 2.117 0 40 DEAB O=c1n(CCNCc2cccc3ccccc23)nc2ccccn12 65936107 PREHJWQJKVKWHJ-UHFFFAOYSA-N 318.380 2.439 0 40 DEAB C[C@@H]1CCCc2sc3nc(NCCO)n4ncnc4c3c21 5562102 YQNINPOFAMEXNK-MRVPVSSYSA-N 303.391 2.183 0 40 DEAB O=C(O[C@H]1CCOC1=O)c1cc(C2CC2)nn1-c1ccccc1 7233268 NGUCYEPIDKCJFC-HNNXBMFYSA-N 312.325 2.222 0 40 DEAB CCn1cnnc1C1CCN(C(=O)c2ccc(OC)cc2)CC1 68487932 SJRDLSZKPWVCSZ-UHFFFAOYSA-N 314.389 2.326 0 40 DEAB CCCCNC(=O)CCS(=O)(=O)c1ccc(Cl)cc1 7778322 PXRXELCCPSQPQX-UHFFFAOYSA-N 303.811 2.420 0 40 DEAB NC(=O)C1CCN(C(=O)NCc2cc3ccccc3s2)CC1 71828292 GIZOYAYXUINXAN-UHFFFAOYSA-N 317.414 2.308 0 40 DEAB Cc1cccc(OCc2nc3c4ccccc4[nH]c(=O)n3n2)c1 8156622 STCQNQIHRPNIIE-UHFFFAOYSA-N 306.325 2.458 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)N(C)[C@H](C)c1ccncc1 71829896 VRKKSBVVFIBARZ-NWDGAFQWSA-N 301.346 2.013 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)Nc1ccnn1Cc1ccccc1 69349704 MSRCIZMICFYTTB-AWEZNQCLSA-N 324.388 2.338 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 69420455 SDOZBHKDGQWZOB-DZGCQCFKSA-N 302.374 2.243 0 40 DEAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1nc2ccccc2s1 69533235 JRTZMVQEJVCQGD-CFMSYZGJSA-N 310.444 2.460 0 40 DEAB CCc1nc(CN2C(=O)[C@@H](C)N(c3ccc(F)cc3)C2=O)no1 69592124 QWEHRAIXGZCIKB-SECBINFHSA-N 318.308 2.128 0 40 DEAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@H](n2ccnc2)C1 69655469 LVQFTLWOXNEXEE-CVEARBPZSA-N 311.385 2.298 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCC[C@@H](C)C2)cc1 26781664 GESMYNQNRCGSED-CZUORRHYSA-N 306.406 2.117 0 40 DEAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc(-n2cccn2)nc1 69701604 ZEBJPRVVRQMTPO-UHFFFAOYSA-N 322.324 2.177 0 40 DEAB CCC1(CC)NC(=O)N(Cc2ccc(F)cc2C(=O)OC)C1=O 69740652 SMMIYHOSUNTFPB-UHFFFAOYSA-N 322.336 2.223 0 40 DEAB Cn1cc([C@]2(C)CN(Cc3c[nH]nc3C(C)(C)C)CCO2)cn1 92016986 RTJJKPZHHHWCDE-KRWDZBQOSA-N 317.437 2.188 0 40 DEAB CC1=NN(c2ccc(C(=O)N[C@H]3CCC[C@@H]3C(=O)O)cc2)CC1 95424747 XMCXUVLBQZHSRX-GJZGRUSLSA-N 315.373 2.256 0 40 DEAB CC[C@@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1noc(C)n1 95995093 TVOOAJSPICWIGO-GHMZBOCLSA-N 310.398 2.474 0 40 DEAB CO[C@H]1CCCC[C@@H]1NC(=O)N1CCC(CCN(C)C)CC1 74758852 KZIONSYMPNOCGX-HOTGVXAUSA-N 311.470 2.317 0 40 DEAB O=S(=O)(c1ccc(CC2CCNCC2)cc1)N1CCCC1 20190633 QNKMWFGQRUQUBI-UHFFFAOYSA-N 308.447 2.013 0 40 DEAB COC(=O)c1coc(COc2cnn(C)c2C(F)(F)F)c1 521394932 AIGAYCNSQJAFMG-UHFFFAOYSA-N 304.224 2.398 0 40 DEAB Cc1noc(C)c1-c1cccc(N2C[C@H](C(=O)O)CC2=O)c1 514951401 RGIMWDILCDIMJS-GFCCVEGCSA-N 300.314 2.396 0 40 DEAB CCCc1cc(=O)n(CC(=O)N2c3ccccc3C[C@@H]2C)cn1 38509624 ZGRVHUZOVUXPLR-ZDUSSCGKSA-N 311.385 2.174 0 40 DEAB O=C(CCc1cccc(C2CCNCC2)n1)NCc1ccccn1 72366967 WOFCFEOTHZUVHF-UHFFFAOYSA-N 324.428 2.193 0 40 DEAB CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1 70451535 JVVFJDJNJRIALP-UHFFFAOYSA-N 313.317 2.313 0 40 DEAB CC(C)N(C[C@@H]1CCCN(CC(=O)O)C1)C(=O)OC(C)(C)C 79410690 LSOPXNJVKDXCOE-CYBMUJFWSA-N 314.426 2.429 0 40 DEAB CC(C)(C)OC(=O)[C@H]1N[C@@H](C(=O)O)Cc2c1[nH]c1ccccc21 39351850 AVCAAQIORRKXMZ-OCCSQVGLSA-N 316.357 2.150 0 40 DEAB CC(=O)N1CC(C(=O)Nc2ccc(Br)cc2C)C1 70812726 RFKTVIPDGLYFIC-UHFFFAOYSA-N 311.179 2.174 0 40 DEAB Cc1cc(Sc2ncccn2)nc(NC(=S)NC(C)C)n1 225889876 LIYPJFWVPDJFBW-UHFFFAOYSA-N 320.447 2.421 0 40 DEAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)s1 223562824 PJWXOWFFFVPYEQ-UONOGXRCSA-N 319.455 2.416 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CCOC3)C2)c1 195533705 MUZVGFCUWPEBPD-GJZGRUSLSA-N 320.433 2.251 0 40 DEAB O=C(Cc1ccc(Cl)cc1)N1CCN(C[C@@H]2CCOC2)CC1 48022981 FMWYVBLBDWWDEK-HNNXBMFYSA-N 322.836 2.063 0 40 DEAB O=C(NC1CC1)C1CCN(c2ccc(Br)cn2)CC1 77544296 FBWMJSYCTHHMMJ-UHFFFAOYSA-N 324.222 2.339 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)NC[C@@](C)(O)c1ccccc1Cl 195564897 HUDRPUQELBNPFL-PSOPSSQASA-N 312.797 2.024 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2ccco2)CCO1 92018162 GJZIIYRTULAXMM-GXTWGEPZSA-N 310.394 2.394 0 40 DEAB Cc1csc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1 95479539 MXMIEHRSGJHGJU-UHFFFAOYSA-N 316.390 2.444 0 40 DEAB COCCn1cc2c(n1)[C@@H](CNCc1ccc(C)s1)OCC2 96059698 PDGLOZHKCOTALI-OAHLLOKOSA-N 321.446 2.303 0 40 DEAB N#[N+]Nc1ccc(C(=O)Nc2ccc(Cn3cncn3)cc2)cn1 95477606 AEZOAXVXUNOYSW-UHFFFAOYSA-O 321.324 2.154 0 40 DEAB Cc1ccc2c(CC(=O)N3CCC(C(N)=O)CC3)coc2c1C 26534623 JCVSKHFDIULEMF-UHFFFAOYSA-N 314.385 2.316 0 40 DEAB O=C(c1ccc2nccn2c1)N1CCC(Cc2cccnn2)CC1 257224149 FANATSINIRTBFP-UHFFFAOYSA-N 321.384 2.219 0 40 DEAB O[C@H]1CCN(CC2=Cc3ccccc3OC2)C[C@@]12CCCO2 257254802 KETHQTMBRHMZPO-ROUUACIJSA-N 301.386 2.078 0 40 DEAB CSc1ccc(Cl)cc1NCC(=O)N1CCOCC1 64399223 RPKZKKKCRRESAH-UHFFFAOYSA-N 300.811 2.333 0 40 DEAB CCOC(C)(C)CNC(=O)NC[C@@H](O)c1cc(C)cc(C)c1 252503216 UZOOHDQDBAEAPF-OAHLLOKOSA-N 308.422 2.451 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc(F)cc(F)c2)n1 257221690 DQCPRIHVYAJGSU-CYBMUJFWSA-N 307.300 2.210 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575403848 PBEYQBBQUKAQFZ-BNOWGMLFSA-N 304.415 2.203 0 40 DEAB CC(C)CC(=O)N1Cc2ccnn2[C@H](CCN2CCCC2)C1 585112625 UKPBVUWLYHCKTH-MRXNPFEDSA-N 304.438 2.298 0 40 DEAB CCc1ncc(C(=O)N[C@](C)(C(=O)O)c2ccccc2)s1 675982182 UCRVLHKINXPXKF-HNNXBMFYSA-N 304.371 2.435 0 40 DEAB Cc1ccc(NC(=O)CN(C)Cc2cn3ccccc3n2)nc1 69657634 NHQYCEIEEGGHBX-UHFFFAOYSA-N 309.373 2.108 0 40 DEAB COc1ccccc1C1(CNC(=O)NC[C@@H]2CCC[C@@H]2O)CC1 73973316 XDXGSKNVZSIYBT-ZFWWWQNUSA-N 318.417 2.187 0 40 DEAB C[C@H](NC(=O)NCc1ccccn1)c1ccc(NC(N)=O)cc1 58061876 NYSVLOVDKOGWCI-NSHDSACASA-N 313.361 2.133 0 40 DEAB CC(C)(C)c1ccc(C(C)(C)NC(=O)CCNC(N)=O)cc1 95985937 ANCRRRYDDQKSOD-UHFFFAOYSA-N 305.422 2.394 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)N2CC[C@@]3(CCOC3)C2)C12CCC2 107516394 WOQIHYNCVOGQEF-IIAWOOMASA-N 308.422 2.156 0 40 DEAB C[C@H](NC(=O)CNC(=O)NCc1ccccc1)c1ccccc1 12457043 AHKXOFAOOHTXPR-AWEZNQCLSA-N 311.385 2.363 0 40 DEAB CCOC(=O)[C@@H](CNC)Cc1cccc(Br)c1 12649782 KULGTGIAOZLSEB-LLVKDONJSA-N 300.196 2.390 0 40 DEAB Cc1nc2c(c(=O)[nH]1)C[C@H]1CC[C@@H](C2)N1Cc1ccc(F)cc1 19286356 WRTOLYREEMTYNQ-CABCVRRESA-N 313.376 2.349 0 40 DEAB Cc1cc(Nc2nccs2)nc([C@@H]2CCCN(CCO)C2)n1 643550540 JRCUTBAAZGVPSZ-GFCCVEGCSA-N 319.434 2.157 0 40 DEAB COc1ccc(CCNC(=O)NC[C@@]2(O)C=CCCC2)cc1 585146623 KVWYKAHKPIOWJW-QGZVFWFLSA-N 304.390 2.008 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1oc2ccccc2c1C 3522775 UPMIXMFPJIIIMV-SNVBAGLBSA-N 318.329 2.132 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)c1cnn2cccnc12 5948779 TUOCNYQORGRVLA-UHFFFAOYSA-N 305.341 2.183 0 40 DEAB Clc1cnc(N2CCC(COc3cnccn3)CC2)nc1 1889091593 JTQYYESUFOHCFE-UHFFFAOYSA-N 305.769 2.215 0 40 DEAB C[C@H]1CN(CC(=O)Nc2ccc(Br)cc2)CCO1 24014520 MOVKAXANBJLTTF-JTQLQIEISA-N 313.195 2.108 0 40 DEAB CC(C)N1CCC2(CC1)CN(c1cccc(F)c1)C(=O)CO2 2037838358 FTFGRJCDKBCRJS-UHFFFAOYSA-N 306.381 2.432 0 40 DEAB C[C@H]1C[C@@H]2CN(C(=O)c3ccnc(C(F)(F)F)c3)C[C@@H]2O1 1565551961 VHYCLAUTGBHGOM-GDPRMGEGSA-N 300.280 2.350 0 40 DEAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)C(F)(F)F 45406 DZNLBJDPIJEYBA-UHFFFAOYSA-N 301.142 2.352 0 40 DEAB CCc1ccc(S(=O)(=O)NCc2cn3ccccc3n2)s1 2961017 BKLPTBXEHVJKSQ-UHFFFAOYSA-N 321.427 2.437 0 40 DEAB Cc1nnc(N2CCN(c3ccc(C(C)(C)C)nn3)CC2)s1 1775973949 TYGCASQVKRPIGJ-UHFFFAOYSA-N 318.450 2.261 0 40 DEAB O=C(NC[C@H]1COc2ccccc21)c1cnn(-c2ccccc2)n1 585150025 RMISORFUSMJVLI-ZDUSSCGKSA-N 320.352 2.173 0 40 DEAB CC(C)[C@H]1NC(=O)N(Cc2cc(F)cc3cccnc23)C1=O 31609577 VAIAKSAIYKMNNA-CYBMUJFWSA-N 301.321 2.450 0 40 DEAB CCNc1nc(SCC(=O)N2CCC2)nc2ccccc12 31766765 SNARBRBRFCANBZ-UHFFFAOYSA-N 302.403 2.386 0 40 DEAB O=C(c1n[nH]c2c1CCCC2)N1CCN(c2ccccc2)CC1 51319529 AIUWLHIVZRAWIX-UHFFFAOYSA-N 310.401 2.251 0 40 DEAB Cc1cc(F)ccc1NC(=O)Cn1ncc(=O)c2ccccc21 51528275 HWRIWTPHIDCOFC-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB CC(=O)N(CN1C(=O)CCC1=O)c1ccc(Cl)c(Cl)c1 332834 SNOKPPPNFMKLEK-UHFFFAOYSA-N 315.156 2.453 0 40 DEAB CC(C)(C)c1cc(NC(=O)CNc2ccccc2C(N)=O)on1 32819313 MGDWYHZGYSQNSV-UHFFFAOYSA-N 316.361 2.122 0 40 DEAB COc1ccc(CNC(=O)NC[C@@H](O)c2ccccc2F)cc1 32826211 QEGIUZZFWHDQDJ-MRXNPFEDSA-N 318.348 2.367 0 40 DEAB CCn1c(=O)n(CCC(=O)Nc2ccccn2)c2ccccc21 21894147 ZFLPMHWEDISMBC-UHFFFAOYSA-N 310.357 2.247 0 40 DEAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)nc2)c(C)o1 22995293 LJOMRLWVMCEOQB-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB O=C(c1cccs1)N1CCC(c2nnc3n2CCC3)CC1 47288768 DUVMLSILPGIVCT-UHFFFAOYSA-N 302.403 2.306 0 40 DEAB Nc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(Cl)cc32)cc1 85926 DIRSAKINNDSBOM-MRXNPFEDSA-N 316.744 2.335 0 40 DEAB CO[C@@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 116022 AUKRGFNYGGPNEW-MRVPVSSYSA-N 318.609 2.308 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@H](C)O1 24014354 QLWDYULVUGKLEK-IUCAKERBSA-N 314.179 2.404 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cn1 24130918 KMBYXBHMHJCISV-UHFFFAOYSA-N 312.369 2.296 0 40 DEAB COc1cc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)ccn1 12537364 ALCZBEGBAYUVEB-UHFFFAOYSA-N 320.732 2.402 0 40 DEAB Cc1ccc(N([C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 6204639 JWJIPPCZCBYJCJ-LBPRGKRZSA-N 312.435 2.064 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)n(C)n1)C12CC3CC(CC(C3)C1)C2 6286474 BVSHWSXJFLCEJC-IWERZKIRSA-N 315.417 2.115 0 40 DEAB Cc1ccc(CNCCc2ccc(S(N)(=O)=O)cc2)cc1F 106410216 HTLOMFSQCYDDFY-UHFFFAOYSA-N 322.405 2.114 0 40 DEAB Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(N)=O)C2)C2CC2)cc1 25124736 LXIIDLFRRLHEFX-HZPDHXFCSA-N 315.417 2.353 0 40 DEAB O=C(Nn1cnnc1)c1cc(-c2ccccn2)nc2ccccc12 3241634 UMUGZESCBIBHMC-UHFFFAOYSA-N 316.324 2.272 0 40 DEAB COc1ccc2c(c1)CCCN2S(=O)(=O)N1CCCCC1 48289648 UOPHUXPUZFHQTO-UHFFFAOYSA-N 310.419 2.179 0 40 DEAB COC(=O)N1CCC(NC(=O)NCCCc2ccccc2)CC1 58192034 WIHHTGDGOCJDQA-UHFFFAOYSA-N 319.405 2.149 0 40 DEAB CCN(CC(=O)N(C)C)C(=O)c1cccnc1SC(C)C 44951893 ALXNFPNAKNOQQY-UHFFFAOYSA-N 309.435 2.132 0 40 DEAB O=C(NCCc1ccccc1)NCc1nnc2n1CCCCC2 44910064 JDQWWPYGJFDODP-UHFFFAOYSA-N 313.405 2.046 0 40 DEAB CCc1ccc(NC(=O)C[C@H]2C=CCC2)cc1S(N)(=O)=O 58357988 RTXBYBARANBTIT-NSHDSACASA-N 308.403 2.191 0 40 DEAB CCc1ccccc1NC(=O)c1cccc(S(=O)(=O)NC)c1 12769070 YQECKLGZSDZSCK-UHFFFAOYSA-N 318.398 2.409 0 40 DEAB CCOc1ccc2nc(NC(=O)CCn3cncn3)sc2c1 10816311 DPNQAQYQBOFWIT-UHFFFAOYSA-N 317.374 2.315 0 40 DEAB CCOC(=O)Nc1nc2ccc(NC(=O)COC)cc2s1 58721689 XSSSJUVZUBMABR-UHFFFAOYSA-N 309.347 2.450 0 40 DEAB O=C1OCCN1c1cccc(NC(=S)NC[C@@H]2CCCO2)c1 46102749 MGYYGIVYBWXEDY-ZDUSSCGKSA-N 321.402 2.109 0 40 DEAB CNC(=O)NC(=O)COc1cccc(Oc2ccccc2)c1 3511327 WNJMNQCAXMWZHL-UHFFFAOYSA-N 300.314 2.313 0 40 DEAB CN(Cc1c[nH]cn1)[C@H]1CCN(c2ccccc2Cl)C1=O 93359941 XKXFWOMIGZLYNX-AWEZNQCLSA-N 304.781 2.300 0 40 DEAB OCCCN1CCN(c2ccnc3cc(Cl)ccc23)CC1 39930838 LQJWTATVMFGPMN-UHFFFAOYSA-N 305.809 2.393 0 40 DEAB COc1c(CNC[C@@H](C)N2CCc3ccccc32)c(C)nn1C 65474728 OSACNHPXIYSODN-CYBMUJFWSA-N 314.433 2.278 0 40 DEAB CCOc1ncnc2c1CN(C[C@H](O)c1cccc(F)c1)CC2 65521876 QFNIKDVCNJYGIE-INIZCTEOSA-N 317.364 2.106 0 40 DEAB Cc1ccc2c(C)nc(Nc3nc(CC(=O)O)c(O)[nH]3)nc2c1 408986199 OMUXOZOHSOQHPT-UHFFFAOYSA-N 313.317 2.046 0 40 DEAB Cc1ccc(F)c(C(=O)N2CCC(N3CCO[C@H](C)C3)CC2)c1 66074674 WPRSSGWCSNEVRJ-CQSZACIVSA-N 320.408 2.459 0 40 DEAB Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2cc(Cl)ccc21 4675516 FFCSJSLKDCBFQM-UHFFFAOYSA-N 319.792 2.169 0 40 DEAB O=C(COC(=O)c1cc[n+]([O-])cc1)Nc1ccc2ccccc2c1 5962130 KTCQQLVXDNIWCD-UHFFFAOYSA-N 322.320 2.269 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)c1[nH]nc2c1C[C@@H](C)CC2 67713132 FMKMRMQIPNXOHC-VIFPVBQESA-N 302.378 2.412 0 40 DEAB Cc1nccn1C[C@@H]1CC[C@H]2[C@H](C1=O)c1cc(O)ccc1N2C 21981294 LXUVVXYOZOBVHJ-AFAVFJNCSA-N 311.385 2.478 0 40 DEAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N(C)C 7799717 YAXMVEYDXJWZTR-JTQLQIEISA-N 317.418 2.244 0 40 DEAB NC(=O)c1ccc(COC(=O)[C@@H]2COc3ccccc3C2)cc1 16545741 IXBXIFMYHHQJLX-HNNXBMFYSA-N 311.337 2.080 0 40 DEAB COc1ccc(C(C)=O)cc1CN1C(=O)N[C@](C)(C2CC2)C1=O 8127776 TWSMLFIGJWGTNF-QGZVFWFLSA-N 316.357 2.118 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)COCC(F)(F)F)n1 71870189 NVSRUEZZSIQLTA-LBPRGKRZSA-N 319.327 2.070 0 40 DEAB CCc1ncc2c(n1)CN(Cc1nnc(-c3ccco3)o1)CC2 70038790 HQWYAHHFEQWXSD-UHFFFAOYSA-N 311.345 2.240 0 40 DEAB O=C(NCC[S@](=O)Cc1ccccc1)NCc1cccs1 70007388 FLBHDBSVZUPENP-OAQYLSRUSA-N 322.455 2.496 0 40 DEAB CC[C@H](C)[C@@H](C)N(C(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1 71847820 LYRCMMJSFMGNSY-XQQFMLRXSA-N 301.452 2.237 0 40 DEAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 69624037 CWRLUHJSGFHAJT-CQSZACIVSA-N 324.388 2.249 0 40 DEAB CN(Cc1nnc(C2CCC2)o1)[C@@H](C(N)=O)c1cccc(F)c1 71910658 OCTKCLGLMOFQTD-CQSZACIVSA-N 318.352 2.135 0 40 DEAB Cc1noc([C@@H]2CCCN(Cc3nc(N)c4ccccc4n3)C2)n1 69814332 CDLWVOHFKNXGAO-GFCCVEGCSA-N 324.388 2.283 0 40 DEAB Cc1ccnc(NC(=O)c2ccn(COc3ccccc3)n2)n1 27971780 LOYCCQFOSMCXKR-UHFFFAOYSA-N 309.329 2.270 0 40 DEAB Cc1ccccc1C[C@H](CNC(=O)c1cscn1)C(=O)O 97018827 QTFPVAMWXUBDMR-GFCCVEGCSA-N 304.371 2.125 0 40 DEAB COc1ccc2[nH]cc(CC(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2c1 95991969 CPIFWJLBEFVCJH-CMPLNLGQSA-N 316.357 2.089 0 40 DEAB O=C1CN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CCN1 95996844 TZKLTYBPMDNSOX-HNNXBMFYSA-N 301.390 2.059 0 40 DEAB Cc1cc(F)ccc1CCNC(=O)NCCCn1ccnc1 89587627 QFOVBVSYGSBTQS-UHFFFAOYSA-N 304.369 2.263 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)N[C@@H]2CCc3c(F)cccc32)C1 89919430 HTIODCKYSRPITK-PBHICJAKSA-N 320.364 2.408 0 40 DEAB CSc1nc(=O)[nH]c(C)c1C(=O)N(C)Cc1sccc1C 76094682 QUWBOHUHPSQKRV-UHFFFAOYSA-N 323.443 2.442 0 40 DEAB CCOCC[C@H]1CO[C@H]2CN(C(=O)C3CCSCC3)C[C@@H]12 306130243 IZVKCWJEAXSJOT-KKUMJFAQSA-N 313.463 2.030 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)NCCC1=CCCCC1 61721915 BUOBZWGEVNOCFD-UHFFFAOYSA-N 315.417 2.129 0 40 DEAB O=C(O)[C@H]1CCc2nn(Cc3ccc(Cl)cc3)c(=O)cc2C1 217567282 FNUXTMGKQSAABG-NSHDSACASA-N 318.760 2.135 0 40 DEAB CCOC(=O)N1CCN(C(=O)Cc2cc(C)ccc2C)CC1 74959586 OWGPSJJSASCPNN-UHFFFAOYSA-N 304.390 2.147 0 40 DEAB CC(C)(C)c1cnc(CCC(=O)N[C@H]2CCC[C@H]2C(=O)O)o1 1573475229 GRGXTGDYIGLUCW-MNOVXSKESA-N 308.378 2.274 0 40 DEAB Cc1sc(NC(=O)Cn2cnc3c(c2=O)CCC3)c(C)c1C 184100521 INUTZVKZIYIXNA-UHFFFAOYSA-N 317.414 2.357 0 40 DEAB CCNC(=O)N1CCN(Cc2cc(F)cc3cccnc23)CC1 78776738 PROFLHRAQBUBRJ-UHFFFAOYSA-N 316.380 2.221 0 40 DEAB Cc1csc(Nc2cccc([C@H]3CCCN3CC(N)=O)n2)n1 72383067 SGQPGBVWPBNVHW-GFCCVEGCSA-N 317.418 2.212 0 40 DEAB Cc1cccc2cc(C(=O)Nc3ccc(C(N)=O)cc3)c(=O)oc12 226035114 JMUZPEVLXHGTTR-UHFFFAOYSA-N 322.320 2.453 0 40 DEAB O=C(O)c1c(C(=O)N2CCCC2)[nH]c2cc(Cl)ccc2c1=O 137071114 YQBLDAFNZGSMIH-UHFFFAOYSA-N 320.732 2.116 0 40 DEAB CCc1ccc(OCCNS(=O)(=O)c2c(C)noc2C)cc1 225165723 SDQYDFAGXJUOJJ-UHFFFAOYSA-N 324.402 2.211 0 40 DEAB CSc1ccc(CCC(=O)N2CC(n3ccnn3)C2)cc1 225691956 DEWZBLUFRHBEBA-UHFFFAOYSA-N 302.403 2.016 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccncc1 222746213 GCSANKWIOZFBOL-CQSZACIVSA-N 311.385 2.135 0 40 DEAB OCCN[C@@H](c1ccc(Br)cc1)C1CCOCC1 195558091 MHZJONOHFJFFQG-AWEZNQCLSA-N 314.223 2.499 0 40 DEAB CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H](C)[C@H](O)Cc1ccccc1 331208108 FPTBSXDIFVKYNH-XBVQOTNRSA-N 305.418 2.156 0 40 DEAB CN(C)[C@@H]1COC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 96158628 SUUHEBCYMKSFJN-HNNXBMFYSA-N 306.381 2.151 0 40 DEAB Cn1ccnc1CN1C[C@H]2CN(Cc3cccs3)C[C@H]2C1 96161551 AOEZZATUTTVTBJ-OKILXGFUSA-N 302.447 2.045 0 40 DEAB O=C(OCCNc1ncccn1)c1cnc2ccsc2c1 96441902 RLIRXCUDKWKNFL-UHFFFAOYSA-N 300.343 2.355 0 40 DEAB O=C(Nc1ccn(CC(F)F)n1)c1cccc2c1OCCO2 96451792 BYUGCNPYSOKJRO-UHFFFAOYSA-N 309.272 2.172 0 40 DEAB O=S1(=O)[C@H]2CCCC[C@@]2(N2CCOCC2)[C@H]1c1ccccc1 90676988 NMQHAHIFQLFGPR-BBWFWOEESA-N 321.442 2.170 0 40 DEAB O=C(OCCn1cccn1)c1cc(N2CCCC2=O)ccc1F 96441865 GXXHBHZWWAOTLW-UHFFFAOYSA-N 317.320 2.006 0 40 DEAB O=C(Nc1ncccc1O)[C@H]1CCCCN1Cc1cccnc1 97371167 SFKQJOUSIFBVIW-CQSZACIVSA-N 312.373 2.175 0 40 DEAB OC[C@H](Nc1ncnc2[nH]cnc12)c1ccc(Cl)c(F)c1 92701910 PWMDLXBGCXTOIG-JTQLQIEISA-N 307.716 2.291 0 40 DEAB CCS(=O)(=O)[C@](C)(Br)C(=O)c1ccccc1 96518620 YPYVVROYXXPOCQ-NSHDSACASA-N 305.193 2.415 0 40 DEAB COC(=O)C[C@@H](c1cccc(O)c1)c1oc(C)cc(=O)c1O 96114030 IXWIRPMZHCJILZ-LBPRGKRZSA-N 304.298 2.054 0 40 DEAB biogenic Cc1ccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)cc1 96410247 KHKSHDXSKKIODA-UHFFFAOYSA-N 318.398 2.297 0 40 DEAB Cc1cccn2cc(CS(=O)(=O)c3ccc(O)cc3)nc12 63927048 KDNMLWJSWMYGNN-UHFFFAOYSA-N 302.355 2.322 0 40 DEAB Cc1cc(C(=O)NCc2cnc([C@@]3(C)CCCCO3)nc2)on1 257273993 NJBSRFDITRVHJE-MRXNPFEDSA-N 316.361 2.119 0 40 DEAB Cc1ncsc1CN(C)C(=O)Cc1ccc(C(=O)O)cc1 263316702 HVXXHONDEXJEPG-UHFFFAOYSA-N 304.371 2.351 0 40 DEAB O=C(Cc1cccs1)NCCn1ccc(-c2ccncc2)n1 96098789 AYHJVZQWMFFXDI-UHFFFAOYSA-N 312.398 2.366 0 40 DEAB Cc1cccc(O[C@@H]2CCC[C@H](NC3CCOCC3)[C@H]2O)c1 585289723 WEKVHVRJPWUNDS-RCCFBDPRSA-N 305.418 2.424 0 40 DEAB CC(C)CN1C[C@@H](C(=O)N2c3ccccc3C[C@H]2C)CC1=O 29785510 KLOJKODAPHUBMI-HIFRSBDPSA-N 300.402 2.469 0 40 DEAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1C 69667810 WQIDVJQHZUIBOA-CABCVRRESA-N 304.438 2.126 0 40 DEAB Cc1nc(C)c([C@@H](C)NCc2c(C)nn(CCO)c2C)s1 71825237 NFUQIZVNOALLIH-SNVBAGLBSA-N 308.451 2.416 0 40 DEAB CC(C)c1nc(C(=O)N2C[C@H](C)[C@@H](N3CCOCC3)C2)cs1 76053595 DWADPDYSPMANTA-JSGCOSHPSA-N 323.462 2.059 0 40 DEAB C[C@@H]1CN([C@@H](CNc2ncccn2)c2cccs2)CCO1 78802975 TWUAYEZQLWXYTK-OLZOCXBDSA-N 304.419 2.412 0 40 DEAB Nc1nc(N2CCCC2)nc2c1CCN(Cc1cccs1)C2 12338380 YRSXEMJZBQYLNK-UHFFFAOYSA-N 315.446 2.279 0 40 DEAB O=Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 14737695 IMHUWQMPUQLBLR-UHFFFAOYSA-N 313.309 2.288 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N[C@H]1CCCC[C@@H]1C 16313897 UJIPLBPLEBTREI-GWCFXTLKSA-N 321.373 2.108 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1 17302692 VHXMEDJQOUIELQ-UHFFFAOYSA-N 321.377 2.498 0 40 DEAB Cc1ccc(C2(O)CCN(CCNC(=O)[C@H]3C[C@@H]3C)CC2)cc1 19208572 XHIRYQMXWMLIFV-RDJZCZTQSA-N 316.445 2.051 0 40 DEAB CCCC[C@@H](c1nnnn1CCC(C)C)N1CCN(C)CC1 19502138 YQDCQNMGIPUYKD-HNNXBMFYSA-N 308.474 2.198 0 40 DEAB COc1ccc(Cc2cnc(NC(=O)c3cn[nH]n3)s2)cc1 19555985 DTJUXYSBLJQNPN-UHFFFAOYSA-N 315.358 2.113 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](OCC3CC3)C2)c1 575619397 SNDJWDRVPLPMKF-OAHLLOKOSA-N 309.431 2.493 0 40 DEAB O=C(CC1CCCC1)NC[C@@H](O)c1ccc2c(c1)OCCO2 390826542 AGHGPMYHJXYVSW-CQSZACIVSA-N 305.374 2.188 0 40 DEAB COC(=O)c1ccccc1OCC(=O)NCc1ccccc1C 7096818 GFGMMZBTLFAACG-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB biogenic CCO[C@H](C)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 32307488 GCVULIXYBQBJOL-CQSZACIVSA-N 318.417 2.141 0 40 DEAB CC1CCN(CCCn2c(S)nc3ncccc3c2=O)CC1 20618227 XCVUAIYYKDFRKR-UHFFFAOYSA-N 318.446 2.202 0 40 DEAB O=C(OCC(F)(F)C(F)F)[C@H]1CC=CC[C@H]1C(=O)NC1CC1 68773 YSAFKEYBEDCBKO-ZJUUUORDSA-N 323.286 2.291 0 40 DEAB CCc1nc(C)c(C(=O)OCC(=O)NCc2ccccc2)s1 50339820 AZHJHMVZYQPTRQ-UHFFFAOYSA-N 318.398 2.487 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc2O1)NC[C@@H]1Cc2ccccc2O1 31731854 HDSDBYWAKBIBJS-HOTGVXAUSA-N 324.380 2.293 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(O)c2)n2ncnc2N1 147841 ASWKEJFARIAXRC-CQSZACIVSA-N 314.345 2.224 0 40 DEAB COC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc2ncccc2c1 190245 DYCYIRLEIWHUJK-HNNXBMFYSA-N 321.340 2.288 0 40 DEAB C[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)NCc1ccco1 20724024 ZQTAFUKMWSEQMV-NSHDSACASA-N 311.341 2.196 0 40 DEAB Cc1ccc(SCCC(=O)N2CCC(C(N)=O)CC2)cc1 382652 UNDHWDSSMRYLKP-UHFFFAOYSA-N 306.431 2.201 0 40 DEAB CCN(CC)[C@@H](CNc1ccc2nnnn2n1)c1ccccc1 32871823 OHANKRIBZDHUBB-AWEZNQCLSA-N 311.393 2.014 0 40 DEAB CN(Cc1cccs1)C(=O)c1ccc(S(C)(=O)=O)cc1 33000338 ODTWYTNUAJAEDN-UHFFFAOYSA-N 309.412 2.424 0 40 DEAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCOCC1 41943 FKWKGFSEKVJBCM-UHFFFAOYSA-N 305.765 2.307 0 40 DEAB NC(=O)c1ccc(Cn2nc(-c3ccccc3)ccc2=O)cc1 54390103 UEZHXLIRSIOHGB-UHFFFAOYSA-N 305.337 2.058 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc(F)cc1 1100468 KHGZKIMUQLITFB-YVSFHVDLSA-N 306.333 2.044 0 40 DEAB CCCN(C(=O)c1ccc(=O)n(C)c1)[C@H]1C[C@H](OCC)C1(C)C 78869543 UIRALHHUYWTMOY-GJZGRUSLSA-N 320.433 2.441 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)Oc3cccnc3)C2)n[nH]1 78902570 AFSANXJDXAYMTP-KBPBESRZSA-N 314.389 2.287 0 40 DEAB CC(C)NC(=O)NC(=O)COC(=O)c1cccc2ccccc12 3438340 TXUFTSZBIZRNQX-UHFFFAOYSA-N 314.341 2.231 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2C[C@H](C)SC(=S)N2)cc1 1409970 WUBBEHMCGUXYRH-ONGXEEELSA-N 301.458 2.495 0 40 DEAB Cc1sc2ncnc(N3C[C@H](C(N)=O)CC[C@H]3C)c2c1C 107490967 IYCZWGANAQXVJI-LDYMZIIASA-N 304.419 2.398 0 40 DEAB CCNC(=O)NC1(C(=O)N(C)Cc2ccoc2C)CCCC1 57265256 SVQOHXGQRDCVHD-UHFFFAOYSA-N 307.394 2.178 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(-n3cccn3)cc1)C2 97198116 VZBYAIHPKXXZEV-OAHLLOKOSA-N 321.384 2.122 0 40 DEAB Cn1cc(CC(=O)N[C@@H]2CCc3nccn3C2)c2ccccc21 97197570 MVOGCDZRDFJZNJ-CQSZACIVSA-N 308.385 2.049 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCC2(C)COC2)cc1 58160332 RDHLIJUACZAKIG-BXUZGUMPSA-N 303.358 2.474 0 40 DEAB O=C(Cc1ccccc1F)N1CCN(Cc2cccnc2)CC1 44893094 BAPIZRQVSQIQRV-UHFFFAOYSA-N 313.376 2.108 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)[C@@H]1C[C@@H]2CC[C@@H]1C2 101912356 CNQDPAXAZLCNGI-BHPKHCPMSA-N 316.401 2.105 0 40 DEAB COc1cc(CNC(=O)[C@H]2CCCO2)ccc1OC(F)F 28026750 WFYUMUNQQJQGFT-LLVKDONJSA-N 301.289 2.092 0 40 DEAB O=C(NCCCCN1CCOCC1)c1ccc(F)cc1Cl 48284912 SKNNOEIAZLVGLR-UHFFFAOYSA-N 314.788 2.321 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)[C@@H]1Cc2ccccc2S1 11332609 DTPAPYGJDHBJIO-HNNXBMFYSA-N 323.381 2.318 0 40 DEAB COC(=O)C1(NC(=O)c2cc(OC)cc(OC)c2)CCCCC1 12764485 VEMIQVYMXODNFD-UHFFFAOYSA-N 321.373 2.310 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(OC(F)F)cc1 3344752 NPSPXAMHWGUHLU-UHFFFAOYSA-N 314.332 2.275 0 40 DEAB c1ccc([C@H]2CN(Cc3nnnn3-c3ccccc3)CCO2)cc1 29535523 BGJUAMDDTLSJLK-QGZVFWFLSA-N 321.384 2.236 0 40 DEAB O=C(OCC(=O)N1CCOCC1)c1cc(Cl)cc(Cl)c1 3316520 CIYNEIZRXRHRGI-UHFFFAOYSA-N 318.156 2.009 0 40 DEAB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)c1ccccc1 3314754 ACNRECYCLBMRSA-UHFFFAOYSA-N 313.309 2.235 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CCCO3)C2)c1 110659080 YLGIAIXDRWULOF-HOCLYGCPSA-N 320.433 2.393 0 40 DEAB Cc1ccccc1C(=O)CN1C(=O)NC2(CCCCC2)C1=O 48361532 PHRSJVQCNHWBBK-UHFFFAOYSA-N 300.358 2.432 0 40 DEAB Cc1nn(C)c(C)c1C(=O)O[C@@H](C)C(=O)NC1CCCCCC1 22133611 ZGGMXCJEMCBIOY-ZDUSSCGKSA-N 321.421 2.421 0 40 DEAB CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)c1ccccc1 48978741 LMWOPLAFZRTHPR-OAHLLOKOSA-N 323.396 2.483 0 40 DEAB S=C(NC[C@H]1CCCO1)N1CCO[C@H](c2ccccc2)C1 84525603 OIEXUTLGSIPKGC-CABCVRRESA-N 306.431 2.113 0 40 DEAB COc1ccc(CNC(=O)COC(=O)/C=C/c2ccco2)cc1 5113223 XQRZDDMUKKGIBN-CMDGGOBGSA-N 315.325 2.161 0 40 DEAB O=C1CCSc2ccc(C(=O)NO[C@H]3CCCCO3)cc2N1 65490346 ZVACNIRWMACWFF-AWEZNQCLSA-N 322.386 2.309 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1nc2ccccc2s1 95361069 BETHBAWHUQYYFT-UWVGGRQHSA-N 318.402 2.414 0 40 DEAB Cc1ccccc1CCCN1CCC[C@@H](CNS(C)(=O)=O)C1 84679531 GNLYUWPPFGGYNM-INIZCTEOSA-N 324.490 2.189 0 40 DEAB Cc1ccc(OC[C@H](C)NC(=O)N(C)C[C@@H]2CCOC2)cc1 95408146 CPTSGFQLJNNIBK-GJZGRUSLSA-N 306.406 2.440 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1 7053747 HIEGIMBCOOKVBG-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB CCNC(=O)N1CC[C@H](N[C@@H](C)c2sc(CC)nc2C)C1 90409919 GQYDGXYFEXMGRJ-JQWIXIFHSA-N 310.467 2.468 0 40 DEAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)NC1CC1 7789862 VBIBWLKJDITDTQ-JTQLQIEISA-N 318.398 2.439 0 40 DEAB O=C1c2ccccc2S(=O)(=O)N1CCCOc1ccccc1 8132115 ISCKAMWJFRNXIM-UHFFFAOYSA-N 317.366 2.300 0 40 DEAB CNC(=O)c1ccc(S(=O)(=O)N2CCCCCCC2)cc1 16727143 MRZWETFIMGVCID-UHFFFAOYSA-N 310.419 2.001 0 40 DEAB Cc1cc(COC(=O)CCn2c(=O)oc3ccccc32)on1 8252155 IKQGRFPSPGUJPI-UHFFFAOYSA-N 302.286 2.024 0 40 DEAB Cc1cc(C)cc(C[S@](=O)CC(=O)NCc2ccco2)c1 69488275 FAZJTNVNYHVRBT-OAQYLSRUSA-N 305.399 2.462 0 40 DEAB COc1ccc(C[C@H](C)N(C)C(=O)CCCn2cncn2)cc1 69420593 VLGGAQRGECJWHF-AWEZNQCLSA-N 316.405 2.157 0 40 DEAB Cc1nnc2n1CCN(C(=O)Cc1ccc3c(c1)CCCC3)C2 69571477 WXFPAZMLPFMPGD-UHFFFAOYSA-N 310.401 2.050 0 40 DEAB O=C(c1ccc(=O)[nH]n1)N1CC2(CCCC2)c2c(F)cccc21 69658253 PXDQRXYLDUMEGV-UHFFFAOYSA-N 313.332 2.381 0 40 DEAB C[C@H](CNc1cn[nH]c(=O)c1Cl)N1CCc2ccccc2C1 71801926 KQDBZLZHRZWZAA-LLVKDONJSA-N 318.808 2.282 0 40 DEAB O=C(NC1CCC(N2C(=O)CCC2=O)CC1)c1cccc(F)c1 95440326 RQQVJMLXLLZMID-UHFFFAOYSA-N 318.348 2.016 0 40 DEAB O=C(NCC1CCNCC1)c1sccc1Br 82614163 INYJYVCEQDJCFP-UHFFFAOYSA-N 303.225 2.240 0 40 DEAB CCN(CC)C(=O)CN(C)Cc1c[nH]nc1-c1ccccc1 95430332 VXRMHLOTFLIKDI-UHFFFAOYSA-N 300.406 2.377 0 40 DEAB Cc1ccc(-c2nnc(CN3CCc4cncnc4C3)o2)cc1 72276632 JMWSKXPNYZERQV-UHFFFAOYSA-N 307.357 2.393 0 40 DEAB CC(C)(C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)c1ccccc1 72269147 XENJAMUDHZGBDS-DLBZAZTESA-N 316.445 2.022 0 40 DEAB Cc1ccc(F)cc1NC(=O)C(=O)NCCc1cccc(O)c1 72291105 VTFKAGTUKKEVCZ-UHFFFAOYSA-N 316.332 2.137 0 40 DEAB CCOCCN1CCN(Cc2nc(-c3ccccc3)co2)CC1 72267455 DTPQMAITBISUMH-UHFFFAOYSA-N 315.417 2.496 0 40 DEAB Cn1cc(CNCc2cn3ccsc3n2)c(-c2ccncc2)n1 97160105 ZOHZMDJDKXHLSF-UHFFFAOYSA-N 324.413 2.481 0 40 DEAB O=C1CNC(=O)N1CCNC1(c2cccc(Cl)c2)CCCC1 95985909 VNQLOXPLAMWFOI-UHFFFAOYSA-N 321.808 2.251 0 40 DEAB C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccn(C)n2)CC1 95943189 QGIMHGFFQNXANU-GFCCVEGCSA-N 319.434 2.392 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1ccc(CC)o1)CC2 89286530 QPJYVDXXTMMWGI-GJZGRUSLSA-N 307.390 2.234 0 40 DEAB C[C@H]1C[C@H](c2ccsc2)CN1CC(=O)N1CCO[C@H](C)C1 75145894 TXPLWKQCDNULCM-GUTXKFCHSA-N 308.447 2.173 0 40 DEAB COC(=O)c1ccc(CN2CCCC[C@H]2C(=O)NC(C)(C)C)o1 75137042 DOQDIVHHIIBYCV-ZDUSSCGKSA-N 322.405 2.335 0 40 DEAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2 524732365 VWMAWOBJVYTODT-JTQLQIEISA-N 319.744 2.494 0 40 DEAB O=C(OCc1ccccc1)N1CCC[C@@H]1CN(CCO)C1CC1 79391737 GKQYBACIPUQSGB-QGZVFWFLSA-N 318.417 2.244 0 40 DEAB O=C(NC[C@H]1CCN(c2ccccc2)C1)Nc1nncs1 43127997 WLCLBRMVAPZEEO-LLVKDONJSA-N 303.391 2.186 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@H]1CCCN(C(=O)CN)C1 79428781 ZVJSZWLJMWYCSU-KRWDZBQOSA-N 303.450 2.094 0 40 DEAB O=C([C@H]1CCCC[C@H]1C(=O)N1CCCC1)N1CCCSCC1 78998930 DMTKTDZDHWAWAO-CABCVRRESA-N 324.490 2.381 0 40 DEAB CC(=O)c1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)s1 32776830 XVSJYBVLCKKHGT-JTQLQIEISA-N 321.354 2.405 0 40 DEAB COc1cc([C@@H](C)NCC(C)(C)C2(O)CCOCC2)ccn1 566474751 HYJUAEFIYODFEO-CYBMUJFWSA-N 308.422 2.309 0 40 DEAB O=S(=O)(c1cccs1)N1CCC[C@@H](c2cnccn2)C1 72369389 VRBDWXONYSOUMP-LLVKDONJSA-N 309.416 2.106 0 40 DEAB CCN1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 44255131 RXRWATNYHZLYIV-UHFFFAOYSA-N 318.808 2.303 0 40 DEAB COc1ccc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@@H]23)c(OC)c1 228922647 YNPYJMVXDQNMMS-WFASDCNBSA-N 302.374 2.385 0 40 DEAB CC(C)CCOc1cccc(NC(=O)C[C@@H]2CNCCO2)c1 195543346 LKRSZGMSAHDZCJ-MRXNPFEDSA-N 306.406 2.429 0 40 DEAB O=C(OCc1nncn1C1CC1)c1ccc(-n2ccnc2)cc1 195550500 PGLWGMOFFIUIBK-UHFFFAOYSA-N 309.329 2.156 0 40 DEAB CCC[C@H](N)C(=O)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 195554637 BXOVQEQOKPUOIQ-OLZOCXBDSA-N 311.813 2.232 0 40 DEAB Cc1ccc(NC(=O)Cn2c(C)nc3c(c2=O)CCCC3)cc1 49404661 KHUYQBQTHNJTNX-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB COc1ccccc1C[C@H](C(=O)O)N(C)C(=O)c1ccccc1 225413524 CXTFOCGXZKYKEM-OAHLLOKOSA-N 313.353 2.463 0 40 DEAB biogenic,in-vitro Cn1ccc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)n1 226749081 VFPIZCQNSCXMQN-OAHLLOKOSA-N 302.309 2.081 0 40 DEAB N[C@H](C(=O)N1CCO[C@@H](Cc2ccccc2)C1)c1ccccc1 195555090 MWEZGPPSRLNPPU-ROUUACIJSA-N 310.397 2.157 0 40 DEAB CS(=O)(=O)Cc1noc(CSCC2CCCCC2)n1 96430153 WXBDISNFCZINLJ-UHFFFAOYSA-N 304.437 2.428 0 40 DEAB CCS(=O)(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1 97103169 SXRDWIFDHMWUHR-CHWSQXEVSA-N 312.435 2.057 0 40 DEAB Cn1cc(CN2CC[C@]3(CCC[C@@H](CN4CCCC4)O3)C2)cn1 96218792 KRVQBIHGVQQVDV-ZWKOTPCHSA-N 318.465 2.030 0 40 DEAB CN(C(=O)C[C@H]1CCCO1)[C@@H]1CCCN(c2ccccc2)C1=O 96406503 USSFRCHEMPJLNS-HZPDHXFCSA-N 316.401 2.210 0 40 DEAB O=C1COc2cccc(OCc3noc4c3CCCC4)c2N1 91598756 MKBIZCWMNROGAM-UHFFFAOYSA-N 300.314 2.463 0 40 DEAB COC[C@H]1CNC(=O)[C@@H]2CCN(Cc3ccc(F)cc3)CC[C@H]12 96041104 BSUSRBNTMXXWAU-DJIMGWMZSA-N 320.408 2.046 0 40 DEAB CN(Cc1ccncc1Cl)[C@H]1CCN(CC(F)(F)F)C1=O 96441429 IOQRQOPRJUEHLX-NSHDSACASA-N 321.730 2.330 0 40 DEAB CCN1CCN(CCCCNC(=O)N2CCC[C@@H](C)[C@H]2C)CC1 96439225 IRVXUKZXCCEHAQ-IAGOWNOFSA-N 324.513 2.234 0 40 DEAB O=C1C[C@H](c2ccncc2)C2(CCN(Cc3ccoc3)CC2)N1 96061545 BVESIXZNAZNAGW-MRXNPFEDSA-N 311.385 2.313 0 40 DEAB CN(C)C(=O)[C@H]1CCC2(CCN(Cc3cccs3)CC2)O1 96061121 UAUXTIXIFPNDSU-CQSZACIVSA-N 308.447 2.350 0 40 DEAB c1ccc(CO[C@@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)nc1 96055116 ZTYRPVKALQMTBF-ZWKOTPCHSA-N 313.401 2.150 0 40 DEAB COc1cccc([C@@H](N)c2nc(COc3ccccc3)n[nH]2)c1 95533507 SDOGEXNGNDYGEC-MRXNPFEDSA-N 310.357 2.440 0 40 DEAB CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2nncs2)C12CCCC2 96419687 ZDJNVXYQISRQQR-NWDGAFQWSA-N 324.450 2.146 0 40 DEAB CC(=O)N[C@@H]1CN(Cc2ccc(F)cc2)C2(CCN(C)CC2)C1 257282915 OVWJSBZRYKDKAB-KRWDZBQOSA-N 319.424 2.001 0 40 DEAB Cc1cn(C)c([C@H]2CN(C(=O)c3ccc(C)s3)CCO2)n1 257263056 LOEVFDFDHOXZLI-GFCCVEGCSA-N 305.403 2.312 0 40 DEAB Cc1cc([C@H]2CCCCN2C(=O)c2c[nH]cn2)nc2ccnn12 257342263 ZNVARNYWRQJXCZ-CQSZACIVSA-N 310.361 2.128 0 40 DEAB COCCC(=O)NCc1ccc(-c2ccccc2C(=O)O)nc1 257242835 IEJMLXKWCXNTQJ-UHFFFAOYSA-N 314.341 2.100 0 40 DEAB O=C1CCCN1CC[C@H]1CN(Cc2ccccc2)Cc2ccnn21 585112141 IWJPBWHACHIIGR-SFHVURJKSA-N 324.428 2.453 0 40 DEAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2cocc2C)C3)n1 1550524171 WVNFVUYFVBOGFW-BLLLJJGKSA-N 301.346 2.473 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(Cc3coc(C)n3)C2)nc1 1776000799 KVJLUQJCDUBSKG-AWEZNQCLSA-N 302.378 2.372 0 40 DEAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCCNc2cnccn2)o1 58265086 DOYMDOZOROYFFB-QDFGCFFBSA-N 312.373 2.435 0 40 DEAB O=C(Cn1ccnn1)Nc1ccc(-n2ncc3ccccc32)cc1 95463166 UKLZKCNQNDKAFE-UHFFFAOYSA-N 318.340 2.256 0 40 DEAB C[C@@H]1CCOCCN1S(=O)(=O)c1c(F)cccc1Cl 97147252 ULGYSNYAJQKABK-SECBINFHSA-N 307.774 2.279 0 40 DEAB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1ccccc1 6262394 TWCWZWMHRMKXHU-UHFFFAOYSA-N 320.370 2.454 0 40 DEAB COc1cccc(N2CCN(c3ncnc(C)c3F)CC2)c1 1888850280 JNBSTYWAKPXBQW-UHFFFAOYSA-N 302.353 2.259 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(C(=O)Cc1cccc(F)c1)C2 1565543252 CRQMUXCRRRUIRJ-CRAIPNDOSA-N 318.392 2.133 0 40 DEAB CCOC(=O)C1CCN(C2=CC(=O)OC23CCCCC3)CC1 4776547 NCTGPZKOADTFEF-UHFFFAOYSA-N 307.390 2.405 0 40 DEAB Cc1ccc(C(=O)NCc2nnnn2-c2ccc(F)cc2)cc1 17040983 LQMBUDWMLPXPDF-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB COC(=O)c1cccc(NCC(=O)NCc2ccc(F)cc2)c1 40009479 PXPOGDNURXZBFB-UHFFFAOYSA-N 316.332 2.341 0 40 DEAB Cc1cc(CN(C)S(=O)(=O)c2ccc(F)cc2F)no1 31657123 PBSBDVSYJIQGCY-UHFFFAOYSA-N 302.302 2.082 0 40 DEAB O=C(NCCC1=CCCCC1)c1ccc(F)cc1-n1cnnn1 20717175 WSHZSGDZQOJFSN-UHFFFAOYSA-N 315.352 2.422 0 40 DEAB O=C(NCc1nnc2ccccn12)c1cc(-c2ccccc2)no1 32913630 DUSTYTGMYKIGSR-UHFFFAOYSA-N 319.324 2.314 0 40 DEAB O=c1c(Cl)c(NC[C@H]2CCCO2)cnn1-c1ccccc1 33012175 IYOOTKVGUIVTJT-GFCCVEGCSA-N 305.765 2.477 0 40 DEAB Cc1noc([C@@H]2CCCN(C[C@H](O)c3cccc(F)c3)C2)n1 52863009 JCADFAKOMRRYFL-HIFRSBDPSA-N 305.353 2.430 0 40 DEAB O=C(c1ccc(N2CCOCC2)nc1)N1CCc2ccccc2C1 21960476 NONOVRZVGSZVJM-UHFFFAOYSA-N 323.396 2.117 0 40 DEAB O=C(OCC(=O)N1CCCCCC1)c1cnc2ccccc2n1 22123131 QHBSHPHRBDTGCR-UHFFFAOYSA-N 313.357 2.189 0 40 DEAB CC(C)N(CCC(=O)O)S(=O)(=O)c1ccc(Cl)cc1 37592044 RKGUMKVLEVKAHQ-UHFFFAOYSA-N 305.783 2.214 0 40 DEAB Cc1ccc(CNC(=O)c2cncc(Br)c2)cn1 47556596 OUBMKEPFXDSBAA-UHFFFAOYSA-N 306.163 2.478 0 40 DEAB CC(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 418378 WIAWLEJINFCGRE-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB CC1(C)CN(Cc2ccccc2)CCO[C@H]1N1CCOCC1 1580586 ITRDUFRBZQOUCA-QGZVFWFLSA-N 304.434 2.203 0 40 DEAB O=C(Oc1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 6475641 NNZXKQPJBRHBKO-UONOGXRCSA-N 310.353 2.466 0 40 DEAB Cc1occc1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 55462620 WBYZMXBWKRZJEO-UHFFFAOYSA-N 311.341 2.026 0 40 DEAB Cc1oc(-c2ccco2)nc1CN1C[C@H](C(N)=O)CC[C@H]1C 106655588 TZEANPOXUYTFCV-ZYHUDNBSSA-N 303.362 2.329 0 40 DEAB CC(=O)Nc1ccc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc1 1408211 LACMBMGSHPYSSX-HNNXBMFYSA-N 320.356 2.491 0 40 DEAB CCOC(=O)N1[C@@H]2C3C4[C@H]5CC[C@H]4[C@@H]2[C@H]5[C@H]3N1C(=O)OCC 104287016 MFDVAYPGNFQHCU-SNDFPQCMSA-N 306.362 2.101 0 40 DEAB CS[C@@H]1CCCC[C@@H]1NC(=O)NC[C@](C)(O)c1ccco1 108090307 RWWDNYHOPWJHCQ-ZOWXZIJZSA-N 312.435 2.461 0 40 DEAB CC(C)(C)OC(=O)C[C@@H](O)C[C@@H](O)COCc1ccccc1 59034025 BRGGLWKMLWZFAV-LSDHHAIUSA-N 310.390 2.047 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1 26881273 MNRCRTRIACAERK-LLVKDONJSA-N 307.371 2.392 0 40 DEAB O=C1C[C@H](SCCO)C(=O)N1c1cccc2ccccc12 101418242 NIXCGWQGMCZRJH-AWEZNQCLSA-N 301.367 2.197 0 40 DEAB C[C@@H](Sc1nc2ncccn2n1)C(=O)NC1CCCCCC1 10077858 FMDKKLUDJNYSBK-LLVKDONJSA-N 319.434 2.444 0 40 DEAB Cc1ccccc1OCCNC(=O)[C@@H]1COc2ccccc2O1 55954715 AQAPKNOZSDTRNG-KRWDZBQOSA-N 313.353 2.330 0 40 DEAB C[C@H](NC(=O)NCc1cnn(-c2ccccc2)c1)[C@H]1CCCO1 44953186 NKOHPNJGPNKXAO-XJKSGUPXSA-N 314.389 2.239 0 40 DEAB CC(C)C(=O)NC1CCN(Cc2noc(C(C)(C)C)n2)CC1 44948930 KRQBHMKMJXJORJ-UHFFFAOYSA-N 308.426 2.104 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)Cn2cccn2)c(OC)c1 48262870 NTSRFSLKUVFZSP-HNNXBMFYSA-N 315.373 2.264 0 40 DEAB O=C(O)c1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1 58496717 YGSSKEJWGKAURC-UHFFFAOYSA-N 321.329 2.275 0 40 DEAB COCCCNC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 51317843 VWELVVCEBIPKTK-UHFFFAOYSA-N 322.796 2.304 0 40 DEAB COc1ccc(Cl)cc1CNCCCN1CCN(C)CC1 37979101 SJCCFOREZHAOCA-UHFFFAOYSA-N 311.857 2.076 0 40 DEAB CCOC(=O)c1cccnc1NCc1cccnc1N(C)C 48314378 ISNWLZNQIZVVGA-UHFFFAOYSA-N 300.362 2.331 0 40 DEAB COc1cc(NC(=O)c2cc(C)on2)ccc1N1CCCC1=O 12073593 ZRMNTDSPQWQBIO-UHFFFAOYSA-N 315.329 2.371 0 40 DEAB O=C1COc2cc(C(=O)N3CCc4sccc4C3)ccc2N1 12216819 ITTIGVHPUWZTEN-UHFFFAOYSA-N 314.366 2.278 0 40 DEAB CO[C@@H](C(=O)Nc1cccc(-c2nnnn2C)c1)c1ccccc1 61386496 MITAYJBNURBZIW-OAHLLOKOSA-N 323.356 2.203 0 40 DEAB CN(C)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 3400306 TVERNYGDMJOMDA-UHFFFAOYSA-N 324.380 2.499 0 40 DEAB OCCCNCc1cn(-c2ccccc2)nc1-c1cccnc1 12997876 IPDROIYPLAPNBO-UHFFFAOYSA-N 308.385 2.406 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2[nH]nc(C)c2Br)C1 49043370 MSGBSWDFZLYPJS-SECBINFHSA-N 316.199 2.122 0 40 DEAB Cc1cc(C(=O)Nc2c[nH]ccc2=O)c(C)n1-c1cccnc1 64355215 CSGKRDAOVWAQRT-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB Cc1ccc2c(c1)C[C@@](C)(C(=O)Nc1cc(C)on1)OC2=O 5245029 UCNUKEZEEMRVTD-INIZCTEOSA-N 300.314 2.402 0 40 DEAB CC(C)(C)CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2 6352905 DGHXZLYLXFIFFS-UHFFFAOYSA-N 307.346 2.376 0 40 DEAB Cn1cc(C2CCN(C[C@@H](O)c3ccccc3F)CC2)cn1 97203049 OGBLYTUWGFKVHV-QGZVFWFLSA-N 303.381 2.472 0 40 DEAB CCNC(=O)NC(=O)CSC1=Nc2ccccc2CS1 6588191 UOSKJTMEHJHQRE-UHFFFAOYSA-N 309.416 2.500 0 40 DEAB COC(=O)CC1CCN(C(=O)Cn2ccc3ccccc32)CC1 72401203 HOBOBALWNYJYNK-UHFFFAOYSA-N 314.385 2.443 0 40 DEAB Cc1c(C)n(CCO)c2ncn3nc(-c4cccs4)nc3c12 6760554 TXVQTUCIPCBVKQ-UHFFFAOYSA-N 313.386 2.417 0 40 DEAB NC(=O)C[C@@H]1CCCN(c2ccnc(Cc3ccccc3)n2)C1 97379174 RLKCCFRBBJNEOS-HNNXBMFYSA-N 310.401 2.159 0 40 DEAB COc1ccc2c(c1)CN(CC(=O)Nc1c(C)n[nH]c1C)CC2 67461815 RTZUTVOHYWZRLM-UHFFFAOYSA-N 314.389 2.032 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)c1csc(-c2ccsc2)n1 7117553 DTJJWDKZYPUYEV-QMMMGPOBSA-N 309.416 2.126 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](N[C@H]2CCCn3ncnc32)C1 96499616 QHPXBZTTZCDKRB-STQMWFEESA-N 321.425 2.102 0 40 DEAB Cc1cccc(C(C)(C)NC(=O)CS(=O)(=O)CC(C)C)c1 96412119 FXGRNFJPRBZBFY-UHFFFAOYSA-N 311.447 2.417 0 40 DEAB CCN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 8078610 STGURHYSYXRZFO-UHFFFAOYSA-N 318.808 2.028 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cn3ccccc3n2)c1 71866866 BWYADUXKCWKCFQ-AWEZNQCLSA-N 309.373 2.144 0 40 DEAB CC(C)Cc1cc(C(=O)NCC[S@@](=O)c2ccccc2)[nH]n1 71893731 VWLVUNRVKPKEPB-QFIPXVFZSA-N 319.430 2.146 0 40 DEAB O=C(c1cc(Cl)ccc1O)N1CCC[C@@H](C2OCCO2)C1 69418899 OARBXGYKKFTDLL-SNVBAGLBSA-N 311.765 2.271 0 40 DEAB O=C(CCCNC(=O)c1ccco1)Nc1nc2ccccc2[nH]1 17304075 YHJSRVMZXQRWQI-UHFFFAOYSA-N 312.329 2.305 0 40 DEAB Cc1cc(=O)c(C(=O)N2CCCC2)nn1-c1ccc(Cl)cc1 17356395 PAUFTJGDXGGWNJ-UHFFFAOYSA-N 317.776 2.430 0 40 DEAB CC[C@](C)(NC(=O)c1ccc(-n2cccn2)c(F)c1)C(=O)OC 69601770 DRTIHPQMRQBOEA-INIZCTEOSA-N 319.336 2.083 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)[C@H]1C[C@H]1c1cccnc1 71903978 ODCRKHCJLHUHCQ-ROUUACIJSA-N 324.428 2.171 0 40 DEAB CC1(C)O[C@H]2O[C@H](CN3CCC[C@@H]3c3ccccc3)[C@H](O)[C@H]2O1 22115929 FXRSTNMDEDRDHF-NQNKBUKLSA-N 319.401 2.061 0 40 DEAB COc1ccc(CC(=O)N2CCCC[C@@H]2CC(N)=O)c(Cl)c1 95414989 VKTVZXQJZOCINQ-GFCCVEGCSA-N 324.808 2.148 0 40 DEAB COCc1ccc(CNC(=O)N[C@H](C)c2cnn(C)c2)cc1F 95404595 JNNQFUFQZQVGMO-LLVKDONJSA-N 320.368 2.266 0 40 DEAB Cc1cc(N2CCCC3(C2)OCCO3)nc(-c2ccccn2)n1 84114712 MSSXISNLSRBNRY-UHFFFAOYSA-N 312.373 2.190 0 40 DEAB C[C@@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)[S@](C)=O 95436818 YZHYPUJYUBJDRO-AHGSNSTDSA-N 310.202 2.196 0 40 DEAB O=C(c1cccs1)N1CCN(C[C@H](O)c2cccs2)CC1 28966037 PEEZNPWRPHXKFG-LBPRGKRZSA-N 322.455 2.301 0 40 DEAB CSC[C@H](C)C(=O)NCc1cccc(NC(=O)N(C)C)c1 95961211 VINNXZQDXWGBQD-NSHDSACASA-N 309.435 2.395 0 40 DEAB COc1cc(Cl)c(CN2CC[C@H](C(N)=O)C2)cc1Cl 95982245 JRLJALSYDQANRS-QMMMGPOBSA-N 303.189 2.309 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 95950664 MTSVNMDGHZHUSM-CYBMUJFWSA-N 300.358 2.482 0 40 DEAB O=C([C@@H](O)c1cc(Cl)cc(Cl)c1)N1CC[C@@H](CCO)C1 95979542 DYCHCZNGXZTHQD-ZANVPECISA-N 318.200 2.258 0 40 DEAB CN1CC[C@@H](N(C)Cc2cccc(OC(F)(F)F)c2)C1=O 89374969 FCHVZDHNGKUSGF-GFCCVEGCSA-N 302.296 2.248 0 40 DEAB CN(Cc1ccccc1)CC(C)(C)NC(=O)c1cnns1 89761685 HKFVEUTXBVULNN-UHFFFAOYSA-N 304.419 2.179 0 40 DEAB Cn1cc(NC(=O)NCCOc2cccc(Cl)c2)ccc1=O 69812596 VCEGCZTZPUDVPQ-UHFFFAOYSA-N 321.764 2.239 0 40 DEAB O=S(=O)(c1ccccc1)[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1CO 218560031 PWFDLSUZCPYBIC-ARFHVFGLSA-N 306.358 2.374 0 40 DEAB O=C1[C@@H]2CCCN2C(=O)N1Cc1coc(-c2cccc(F)c2)n1 26778136 IREYXXAUROCPHV-ZDUSSCGKSA-N 315.304 2.407 0 40 DEAB C[C@]1(c2ccccc2)C[C@@H]1NC(=O)c1cnc(C2CCNCC2)[nH]1 1552688836 ICUFRSMGGNZTFI-QFBILLFUSA-N 324.428 2.337 0 40 DEAB O=C(NC[C@H](O)COCC1CC1)N[C@@H]1CCC[C@@H](C2CC2)C1 74651945 DUNXXUXEIDYXTI-OAGGEKHMSA-N 310.438 2.042 0 40 DEAB Cc1ccc(F)cc1C(=O)NCCS(=O)(=O)C(C)(C)C 79051866 YPMYEFRRFQUSGF-UHFFFAOYSA-N 301.383 2.077 0 40 DEAB CCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1OC 33460846 DZMZJQNBKJBUEA-MNDMWVCDSA-N 321.373 2.333 0 40 DEAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2)N1 34792232 VOMJKYKNVFYOMS-JKSUJKDBSA-N 307.353 2.340 0 40 DEAB biogenic CC1=C(C(=O)NC(C)(C)C)C[C@@H](C(=O)NC(C)(C)C)[C@@H](C)N1 31852475 FJYFISLNIKEFCS-ZYHUDNBSSA-N 309.454 2.088 0 40 DEAB Cc1cnn(CCCNC(=O)N2CCOC[C@H]2CC(C)C)c1 79306052 ALILTZWLBLEISK-OAHLLOKOSA-N 308.426 2.038 0 40 DEAB COC(=O)[C@]1(F)CCN(c2nc(C)nc3scc(C)c23)C1 126134051 AMPWGHVMIFXWSP-AWEZNQCLSA-N 309.366 2.400 0 40 DEAB Cc1nc2ccc(F)cc2c(=O)n1CCNC(=O)CC(C)C 79487705 PFYUMLWUVBPWAU-UHFFFAOYSA-N 305.353 2.006 0 40 DEAB CN(CC1(c2ccccc2)CC1)C(=O)Nc1ccc(C(N)=O)nc1 186706957 JFQIRESJAKDMIG-UHFFFAOYSA-N 324.384 2.376 0 40 DEAB CCS(=O)(=O)N1CCC2(CC1)CC(=O)c1ccc(C)cc1O2 225816766 YKBKBUGLHNACTK-UHFFFAOYSA-N 323.414 2.145 0 40 DEAB OCc1cn([C@@H]2CCCC[C@@H]2NCc2ccc(Cl)cn2)nn1 575202091 DBPOADZXEWSYTE-LSDHHAIUSA-N 321.812 2.092 0 40 DEAB O=C(CCNc1ncccn1)N1CCc2c([nH]c3ccccc23)C1 85879571 FLELMGZZIACRBH-UHFFFAOYSA-N 321.384 2.345 0 40 DEAB biogenic O=C(NC1CCC2(CC1)OCCO2)c1ccc(O)c(Cl)c1 48356678 SSJNMNSIIFWRNC-UHFFFAOYSA-N 311.765 2.461 0 40 DEAB COc1ncc(C(=O)N(C)c2cccnc2N(C)C)cc1Cl 225461277 ZUQXKZHPHREZFQ-UHFFFAOYSA-N 320.780 2.481 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)c2cccc(Br)c2)C1 62912882 OTDCKNCVNBPRCN-CYBMUJFWSA-N 312.163 2.386 0 40 DEAB COc1ccc(CN2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 96055850 SNFRZFVRRSOOCB-SJORKVTESA-N 310.401 2.338 0 40 DEAB Cn1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c(C(F)(F)F)n1 96403388 YPZQRIJTSQWNAY-MNOVXSKESA-N 317.311 2.223 0 40 DEAB COc1cc(CNC(=O)[C@@H]2Cc3ccccc3CN2)ccc1C 95426466 QJHKOZGIHGKLHH-KRWDZBQOSA-N 310.397 2.334 0 40 DEAB O[C@H](CN1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 96489109 GNPFMTGHJZQQOB-GOSISDBHSA-N 315.392 2.072 0 40 DEAB CS[C@@H]1CCC[C@H](NC(=O)c2c(C)nn3cccnc23)C1 96409458 XOAIKZLMBQLXDG-NWDGAFQWSA-N 304.419 2.442 0 40 DEAB C[C@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)[C@H]1CCCO1 96493976 VWBFADORYOCZRS-USXIJHARSA-N 318.417 2.207 0 40 DEAB CCCn1nnnc1CNc1c(F)cccc1-n1cccn1 96453594 TUTRKIDAJJHGFI-UHFFFAOYSA-N 301.329 2.020 0 40 DEAB Cc1nc(N2CCCC2)nc2c1CCN(Cc1ccncc1)CC2 96254542 QVLSKOJIIYZQRD-UHFFFAOYSA-N 323.444 2.381 0 40 DEAB c1ccc(CN2CC3(C[C@@H](Oc4ccccn4)CCO3)C2)nc1 248133171 ZMFLYFBDCVPEBC-INIZCTEOSA-N 311.385 2.289 0 40 DEAB C[C@@]12CCC(=O)N1[C@@H](C(=O)Nc1nc(C3CC3)cs1)CS2 26050427 WBWIRTCRFMGIJR-QMTHXVAHSA-N 323.443 2.413 0 40 DEAB O=C(CCc1ccc(Cl)cc1)N1C[C@H](O)[C@]2(CCCO2)C1 257267003 MFNLBEAWHSMCIF-HOCLYGCPSA-N 309.793 2.025 0 40 DEAB Cc1cc(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)on1 252491317 LMBPMGSXGQYQSD-HNNXBMFYSA-N 323.352 2.316 0 40 DEAB O=C1OC2(CCOCC2)CN1c1cccc(C2CCNCC2)n1 257318060 VMHUZNHHKYDELC-UHFFFAOYSA-N 317.389 2.054 0 40 DEAB CC(=O)N1CC[C@H](Cc2cc(-c3nc(C)cs3)ncn2)C1 257238804 HMPXSBTWZQWQBM-GFCCVEGCSA-N 302.403 2.319 0 40 DEAB Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)c1 263030961 QVLAYBWOZIQFHT-OZVIIMIRSA-N 321.348 2.225 0 40 DEAB COc1ccc(C(=O)NC[C@]2(O)CCc3ccccc3C2)cc1 90745202 KGAILPPQXOHTCT-IBGZPJMESA-N 311.381 2.345 0 40 DEAB CC(C)n1c([C@H](C)NC(=O)Cc2nc[nH]n2)nc2ccccc21 585140826 JVRZNMIXILKXCD-NSHDSACASA-N 312.377 2.155 0 40 DEAB OCCN1CCN(Cc2coc(-c3ccccc3Cl)n2)CC1 64399368 UIVDEPWTWWTLGQ-UHFFFAOYSA-N 321.808 2.105 0 40 DEAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)/C=C/c2cnccn2)C1 65827093 IYEOWNZRJDJWAV-KJTGTQQJSA-N 322.412 2.442 0 40 DEAB Cc1nccc(C(=O)OCC(=O)NC2CCCCCCC2)n1 61788085 IGEBTVBWICAXIH-UHFFFAOYSA-N 305.378 2.171 0 40 DEAB C[C@H]1CN(c2cccc(F)c2)CCN1c1nc(C(=O)O)co1 563204714 IARNLTYWTNRPNK-JTQLQIEISA-N 305.309 2.227 0 40 DEAB O=C(Nc1c(F)cccc1F)c1ccc(-n2cncn2)nc1 5670441 NNFOPKOLLKRHDQ-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB Cc1cccc(NC(=O)Cn2nc3n(c2=O)CCCCC3)c1C 12910047 XBLPDUOQDXWDRI-UHFFFAOYSA-N 314.389 2.027 0 40 DEAB COc1ccc2c(c1)OC[C@@]1(O)c3ccc(OC)cc3O[C@@H]21 14820415 VVPGAJNPGZZNBM-DLBZAZTESA-N 300.310 2.418 0 40 DEAB endogenous,in-man O=C(N[C@@H]1CCS(=O)(=O)c2ccccc21)c1cc(Cl)c[nH]1 21497742 TVUOAVJNIUSFJX-LLVKDONJSA-N 324.789 2.317 0 40 DEAB O=C(c1ccc(F)cc1F)N1CCN(c2nccs2)CC1 10669263 QHWTZPNKQZBNTH-UHFFFAOYSA-N 309.341 2.384 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@H](C)N(c3nc4ccc(F)cc4o3)[C@H]2C1 1888847423 CKFVCPFXLVKIOX-PUYPPJJSSA-N 303.337 2.412 0 40 DEAB Cc1nnc2ccc(N3C[C@@H]4CN(c5ccccc5)C[C@H]4C3)nn12 1888881868 YQEFGXDSXFJWRN-GJZGRUSLSA-N 320.400 2.005 0 40 DEAB C[C@H](c1ccccc1)N1CCC[C@@H](NS(=O)(=O)C2CC2)C1 1889130541 CMMISLWISOLEEM-UKRRQHHQSA-N 308.447 2.294 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)c1cc2ccccc2n1C 1614937930 SXXVJCLRISIHOO-USXIJHARSA-N 314.385 2.197 0 40 DEAB O=C(Cc1ccccc1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1075957677 VEANZIZSBWSEJJ-RBUKOAKNSA-N 321.424 2.357 0 40 DEAB CC(C)S(=O)(=O)Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2 8977395 PZDIBRUZVKQZII-UHFFFAOYSA-N 322.430 2.131 0 40 DEAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ncnc3cnccc23)C1 2298047657 YJSSTKFUVIADQG-GFCCVEGCSA-N 313.405 2.156 0 40 DEAB Cc1csc(NC(=O)c2cccc(NS(C)(=O)=O)c2)n1 40477893 BLDQNCYHYGBOTA-UHFFFAOYSA-N 311.388 2.075 0 40 DEAB CCN(CC)CC(=O)NCC1(c2ccccc2)CCOCC1 185020 KPWFWULMMNNLHP-UHFFFAOYSA-N 304.434 2.193 0 40 DEAB NS(=O)(=O)c1cc(C(=O)NCCC2=CCCCC2)cs1 31970736 CZJXLPCYNNBWMT-UHFFFAOYSA-N 314.432 2.016 0 40 DEAB CCCCn1nc(C(=O)NCCc2ccccc2C)ccc1=O 32498754 DWPAJYFPOUALTQ-UHFFFAOYSA-N 313.401 2.324 0 40 DEAB COc1ccc(NC(=O)COC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 101740754 QSUBLOSXEHSKHX-HUBLWGQQSA-N 301.342 2.389 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cn1 54120194 OFDPWKBVRWMGHB-CYBMUJFWSA-N 316.361 2.192 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)Nc1ccc(F)cc1 70259 KBQMGWYLUPKPKV-QWHCGFSZSA-N 324.352 2.135 0 40 DEAB CC[C@@H](C)Nc1nc(NC(C)(C)C)nc(N2CCOCC2)n1 363238 IFJONHLXYNDRNC-LLVKDONJSA-N 308.430 2.129 0 40 DEAB CCOC(=O)[C@H]1C(=O)N[C@H]2c3ccccc3O[C@H]3CCCC[C@]312 485635 SEVNYVDCZGGKSS-KRXQYRFLSA-N 315.369 2.358 0 40 DEAB CC(C)(NCCn1cnc2ccccc2c1=O)c1nccs1 72662739 NUMYPIGAUYCUBJ-UHFFFAOYSA-N 314.414 2.378 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)c3cccc4c3OCO4)C2)n[nH]1 78902264 TZNYAUOIIJGQSP-GFCCVEGCSA-N 313.357 2.467 0 40 DEAB O=C1NC(=O)c2c1c1cnn(-c3ccccc3)c1n1cccc21 1612517 XNLKEQIVUDXUTG-UHFFFAOYSA-N 302.293 2.162 0 40 DEAB O=C1c2ccccc2C(=O)N1CSC(=S)N1CCCC1 6217062 QAQHDFIOIHTPKO-UHFFFAOYSA-N 306.412 2.354 0 40 DEAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccn2)CC1 34560638 NOGREGGXLYCIMO-UHFFFAOYSA-N 305.378 2.211 0 40 DEAB COc1ncccc1CNC(=O)Nc1nnc(C2CC2)s1 43359643 FYUJKNHGEKOBSV-UHFFFAOYSA-N 305.363 2.141 0 40 DEAB CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)C[C@H](C)C(=O)OC 106582958 OGWAYYNODBKGDD-QWHCGFSZSA-N 324.396 2.134 0 40 DEAB CCc1ccc(C(=O)Nc2ccccc2NS(C)(=O)=O)o1 25096879 YNFRUBBBHAHABQ-UHFFFAOYSA-N 308.359 2.466 0 40 DEAB Cc1cc(N2CCN(C(=O)c3cccs3)CC2)nc(C)n1 43533086 IOAHBIBEMCUOHX-UHFFFAOYSA-N 302.403 2.117 0 40 DEAB COc1ccc(NC(=O)COC(=O)/C=C/c2ccco2)cc1 3224884 ZIGIZANZOGFWKU-CMDGGOBGSA-N 301.298 2.483 0 40 DEAB O=C(Nc1cccc(N2CCNC2=O)c1)OCC(F)(F)F 57214515 JQVWSDTWWNTTCL-UHFFFAOYSA-N 303.240 2.327 0 40 DEAB in-vitro CC(=O)N[C@H](C(=O)NCCCCOc1ccc(F)cc1)C(C)C 9721192 LCARYKQDIFKSHN-INIZCTEOSA-N 324.396 2.262 0 40 DEAB CC(C)N(C(=O)CN)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100178078 OMKVBVRLIJKGES-BETUJISGSA-N 313.442 2.018 0 40 DEAB C[C@H](Sc1nc2ncccn2n1)C(=O)N1CCCCCC1 10078221 WKSCQYBRQIGIHT-NSHDSACASA-N 305.407 2.008 0 40 DEAB CC[C@@H](CCNC(=O)c1sccc1OC)N1CCCC1=O 95381562 SJHUXGBGBCDAAV-NSHDSACASA-N 310.419 2.278 0 40 DEAB O=C(CN1CSCC1=O)NC1(c2ccc(F)cc2)CCCC1 58172380 MBBJLUHUUORAPB-UHFFFAOYSA-N 322.405 2.244 0 40 DEAB CN(C)[C@H](CNC(=O)NCc1ccccn1)c1cccs1 44889758 YQOKQMLHLUIRIU-CYBMUJFWSA-N 304.419 2.245 0 40 DEAB CN(C)C(=O)[C@H](c1ccccc1)N1CCC(c2ccn[nH]2)CC1 58250816 ANIGHRGJFVSOIG-KRWDZBQOSA-N 312.417 2.419 0 40 DEAB O=C(CN1CCC(c2cc[nH]n2)CC1)NCCc1cccs1 58251526 FSTSXTYYUHMAIO-UHFFFAOYSA-N 318.446 2.010 0 40 DEAB O=C(NC[C@H]1Cc2ccccc21)c1ccnc(-n2ccnc2)c1 58328029 BLLSGLSKCLNUKK-OAHLLOKOSA-N 304.353 2.337 0 40 DEAB Cc1cc(CN2CCN(C(=O)c3c(F)cccc3F)CC2)no1 58328905 WPTUGUKRSWOXCY-UHFFFAOYSA-N 321.327 2.219 0 40 DEAB CC(C)CNC(=O)Nc1ccc(N2CCC(C(N)=O)CC2)cc1 58428987 DJCGGCWOKGPOKC-UHFFFAOYSA-N 318.421 2.166 0 40 DEAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1nccc(C)n1 27978964 QVAPVEMFSJXFAB-GFCCVEGCSA-N 315.329 2.310 0 40 DEAB CC1(C)OC(=O)C2(Cc3ccccc3N3CCCC[C@@H]32)C(=O)O1 2334745 YEQHGRUULNKIHC-CQSZACIVSA-N 315.369 2.424 0 40 DEAB biogenic O=C(Nc1nc2cccc(-c3ccc(CO)cc3)n2n1)C1CC1 113326319 KWQBHURURBUCRL-UHFFFAOYSA-N 308.341 2.237 0 40 DEAB O=C(NCCNc1cnccn1)c1ccccc1C(F)(F)F 48367324 FOSWTPFRSAZCNQ-UHFFFAOYSA-N 310.279 2.337 0 40 DEAB Cc1cc(NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)n(C)n1 72285605 OAAZXZKHPHNEPO-ZIAGYGMSSA-N 306.410 2.276 0 40 DEAB Cc1cc(C)n(CCCOc2ccc(S(C)(=O)=O)cc2)n1 72284469 AEMLULNGQLNVMH-UHFFFAOYSA-N 308.403 2.373 0 40 DEAB CCCCNC(=O)NCCNc1nccc(C(F)(F)F)n1 72291905 QBFOBTPCYKLELW-UHFFFAOYSA-N 305.304 2.007 0 40 DEAB Cc1c(C(=O)N2CCCCC2)cnc2nc(C(F)(F)F)nn12 10382318 DFXXUGBAQUBBIT-UHFFFAOYSA-N 313.283 2.078 0 40 DEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](C(=O)O)C1 36966287 KZVSVQPFSQLBIH-GHMZBOCLSA-N 311.765 2.431 0 40 DEAB NC(=O)N1CCC(C(=O)N2CCC[C@@H]2c2ccsc2)CC1 46912375 KQLLHRODOOPPNK-CYBMUJFWSA-N 307.419 2.202 0 40 DEAB O=C(Cn1ncc(Cl)c(Cl)c1=O)NCC1CCCCC1 3464887 VJTYXYHEDHOHEI-UHFFFAOYSA-N 318.204 2.247 0 40 DEAB COc1ccc(Cc2nnnn2CC[C@@H]2CCCC2=O)cc1F 95407117 CSSKTUFRMVSWCK-LBPRGKRZSA-N 318.352 2.171 0 40 DEAB CN(C(=O)CN1C(=O)NC2(CCCCC2)C1=O)C1CCCCC1 3505620 SYEJYYMPLJKHNY-UHFFFAOYSA-N 321.421 2.032 0 40 DEAB NC(=O)Cc1csc(NC(=O)c2cc(Cl)ccc2F)n1 12906871 QLPHRIZYESMFMM-UHFFFAOYSA-N 313.741 2.216 0 40 DEAB O=C(Nc1nc2c(s1)CCC2)c1cccc(-n2ccnc2)n1 96008223 UBSAIYXMZHDGCY-UHFFFAOYSA-N 311.370 2.465 0 40 DEAB CCc1csc([C@@H]2CCCN(C(=O)c3ccc[nH]c3=O)C2)n1 72282280 MZPUTVAERWIZFC-LLVKDONJSA-N 317.414 2.414 0 40 DEAB CCCC[C@@H](COC)NC(=O)C(=O)Nc1c(F)cccc1F 72291080 TWYLHGIDXISIEZ-JTQLQIEISA-N 314.332 2.225 0 40 DEAB CC(=O)N(Cc1ncc(C)o1)[C@H]1CCN(Cc2ccncc2)C1 84259227 QQAFDGFJABCAJK-INIZCTEOSA-N 314.389 2.001 0 40 DEAB Cc1cccc(C)c1OC[C@H](O)CSc1nnc(N)s1 39985643 JTKLXUVPHOWTPK-JTQLQIEISA-N 311.432 2.269 0 40 DEAB Nc1nccnc1C(=O)NCCc1ccc(C(F)(F)F)cc1 14054681 IOMSDSUWYUOGCI-UHFFFAOYSA-N 310.279 2.050 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(N(C)C)cn1 65591876 DEYFUGDCNOVSCC-MEDUHNTESA-N 313.357 2.315 0 40 DEAB O=C(COCCc1ccccc1)N1CCC[C@@H](n2cccn2)C1 65609686 HVBCOHSPXZAEMP-QGZVFWFLSA-N 313.401 2.306 0 40 DEAB COc1ccc(Cl)cc1-c1n[nH]c(S[C@@H](C)C(N)=O)n1 6463965 IIAJYRCZVSHSNT-LURJTMIESA-N 312.782 2.100 0 40 DEAB C[C@@H]1CCCC[C@@]12NC(=O)N(C[C@@H](O)c1ccccc1)C2=O 14758149 HHVCQDHOXHDJFK-SUYBPPKGSA-N 302.374 2.221 0 40 DEAB CN1CCN(C(=O)CSc2nc3ccccc3s2)CC1 19798787 JRZOOHZZOWTCCE-UHFFFAOYSA-N 307.444 2.162 0 40 DEAB C[C@@H]1CN(CCC2CCN(Cc3c[nH]cn3)CC2)C[C@@H](C)O1 93844315 CDVYWZUPBTVDOH-HUUCEWRRSA-N 306.454 2.121 0 40 DEAB O=C(C1CCC1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306124381 BNSPZYBSSXOAPG-OAHLLOKOSA-N 316.401 2.268 0 40 DEAB Cc1cc(SCc2nc(N)nc(N)n2)nc2c(C)cccc12 7183336 GJVYOAHDLRQBBM-UHFFFAOYSA-N 312.402 2.493 0 40 DEAB CCC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1Cl 71760484 HGUQGLUFYKDJKH-UHFFFAOYSA-N 309.797 2.076 0 40 DEAB C[C@H](CCn1cncn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 90916702 OPDDOCKJICJAAH-KGLIPLIRSA-N 323.441 2.046 0 40 DEAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCN2CCCC[C@@H]2C1 71839668 KMMBCVGKIZQELU-GOSISDBHSA-N 324.428 2.112 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2c(C)noc2C)c1 70012440 LVJOSPMYQINIIA-AWEZNQCLSA-N 302.378 2.030 0 40 DEAB Cc1nc(CC(=O)N2CCCC[C@H]2Cn2cccn2)cs1 71864997 XYWMLKIGPVWWOH-AWEZNQCLSA-N 304.419 2.272 0 40 DEAB COc1cc(CCC(=O)N[C@@H](C)c2nc(C)no2)cc(OC)c1 71846742 CAZFJMMCNUCBJK-JTQLQIEISA-N 319.361 2.205 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2csc(-c3cnn(C)c3)n2)c1 69701264 VVBKKPVXVLXXSX-GFCCVEGCSA-N 316.434 2.227 0 40 DEAB CCN(CC)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 69863221 HTVBQMUWFUJSSS-QGZVFWFLSA-N 318.465 2.027 0 40 DEAB CCCC(O)(CCC)CC(=O)N1CCN(C(=O)OCC)CC1 84740386 DGCPZFDGPVZTFZ-UHFFFAOYSA-N 314.426 2.009 0 40 DEAB O=CNc1ccc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 73648225 WKYLJWVWAOSTJB-UHFFFAOYSA-N 307.313 2.292 0 40 DEAB CNC(=O)C1CCN(C(=O)C2CC(c3ccccc3)C2)CC1 95955838 ILGMCQBVYDVCIQ-UHFFFAOYSA-N 300.402 2.165 0 40 DEAB N[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1 95971692 XNISMYMCKNLGNV-QGZVFWFLSA-N 319.424 2.382 0 40 DEAB C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc(=O)n(C)c2)C1 89941221 SRBPTASWBDYCRX-ZDUSSCGKSA-N 311.385 2.118 0 40 DEAB Cc1ccccc1C[C@@]1(CO)CCCN(c2nccc(N)n2)C1 67432278 DXYSPQOFVTUNDO-SFHVURJKSA-N 312.417 2.189 0 40 DEAB CC(C)[C@H](NC(=O)N1CCC[C@H](O)C1)c1nc2ccccc2[nH]1 43105790 ALABNTYMBHWZMU-WFASDCNBSA-N 316.405 2.426 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN[C@@H]2CCc3nnc(C)n3C2)cc1 62640109 JGRGJKNWCMBFRN-MRXNPFEDSA-N 322.416 2.390 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CCc2cnn(C)c2C)cc1 32610287 WOYHJYWNFPHQMV-UHFFFAOYSA-N 300.362 2.258 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(CCO)C1 79411111 QJASVSCSOPIEEM-MRXNPFEDSA-N 306.406 2.100 0 40 DEAB C[C@H](Sc1nccn1Cc1ccccn1)C(=O)NC1CC1 79037990 DVJRAWXHKSVKTE-NSHDSACASA-N 302.403 2.086 0 40 DEAB O=C(Nc1ccc(-n2cccn2)cc1)c1cc(O)nc(C2CC2)n1 561137910 QCWPSXIWPXIFJY-UHFFFAOYSA-N 321.340 2.498 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@H](Nc2nccc(C(F)(F)F)n2)C1 77235689 VFNVVENJSXLMFK-DTWKUNHWSA-N 323.340 2.263 0 40 DEAB CCS(=O)(=O)N1CCCC[C@H]1c1nc(CC(C)C)no1 41123430 JHYJVSYSIDZAFR-NSHDSACASA-N 301.412 2.145 0 40 DEAB O=C(NCCCN1CCCC1)c1ccc(Cn2ccnc2)cc1 44913505 ACJURXGIRAUKDC-UHFFFAOYSA-N 312.417 2.147 0 40 DEAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1cnccn1 224284498 ZCMOOVYRCRTFKH-UHFFFAOYSA-N 311.276 2.450 0 40 DEAB Cc1ccc(CCC(=O)NCCCN2CCOCC2)cc1C 224806589 HXALMHMHHDNCOT-UHFFFAOYSA-N 304.434 2.075 0 40 DEAB Cc1nc(CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)sc1C 88508567 QBTPVQQLXLRRFB-ZDUSSCGKSA-N 315.398 2.423 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2cc(Cl)cs2)CC1 194434691 WWGVLUHWPKQNQD-GFCCVEGCSA-N 303.811 2.147 0 40 DEAB COc1cc([C@H](C)NC(=O)NC[C@H]2CC[C@H](O)C2)ccc1F 225587697 FFRUMSCCEJGDRM-GVXVVHGQSA-N 310.369 2.356 0 40 DEAB S=C(NCc1ccco1)Nc1cnc(Br)cn1 223901780 IMNJULXFQYUIRZ-UHFFFAOYSA-N 313.180 2.319 0 40 DEAB C[C@H](C1CCCCC1)N(C)C(=O)CCC(=O)N1CCC(O)CC1 330033201 XETMSKWSPGKCAI-CQSZACIVSA-N 324.465 2.177 0 40 DEAB CCCc1nnc(NC(=O)NC[C@](C)(O)c2ccc(C)o2)s1 96433822 WQEXYDRGZUVZNQ-AWEZNQCLSA-N 324.406 2.421 0 40 DEAB c1cncc(CN2CC[C@@H]3[C@@H]2CCN3CC2CCOCC2)c1 96110730 XLOASLPSTOEVDP-MSOLQXFVSA-N 301.434 2.157 0 40 DEAB Cc1ccnc(C)c1NS(=O)(=O)c1cn(CC(C)C)cn1 330908018 TZNQNPPLHHCLKC-UHFFFAOYSA-N 308.407 2.352 0 40 DEAB CCN(CC)Cc1cn2c(n1)CN(Cc1nccs1)CC2 96197180 XOAMDWFSWAEROS-UHFFFAOYSA-N 305.451 2.197 0 40 DEAB Cc1nc(-c2ccccn2)n(Cc2nc(-c3ccco3)no2)n1 97227948 DESQKKJEVSEGGT-UHFFFAOYSA-N 308.301 2.340 0 40 DEAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1ccc(C(C)(C)C)nn1 92929681 QYHWILUPDAMZAA-CHWSQXEVSA-N 317.437 2.475 0 40 DEAB CC(C)Cc1nc(NC(=O)c2cc(-c3ccco3)[nH]n2)n[nH]1 95472500 SOXNTUNYXYDARU-UHFFFAOYSA-N 300.322 2.239 0 40 DEAB C[C@H](Cc1ccsc1)N(C)S(=O)(=O)Cc1ccon1 96449271 HNWJWVPXHOPSMU-SNVBAGLBSA-N 300.405 2.129 0 40 DEAB CCSc1cncc(N2CCN(Cc3ccccn3)CC2)n1 95407722 JFGJWDCBFJSFFT-UHFFFAOYSA-N 315.446 2.306 0 40 DEAB c1cncc(O[C@@H]2CN(Cc3ccoc3)[C@@H]3CCCO[C@H]23)c1 96065918 ASROFTVAYQWGAI-ZACQAIPSSA-N 300.358 2.485 0 40 DEAB COC[C@H]1CCC2(CCN(C(=O)c3csc(C)n3)CC2)N1C 96208658 CXIWRGHWKYEPPQ-CYBMUJFWSA-N 323.462 2.167 0 40 DEAB COC[C@@H]1COCCC12CCN(C(=O)C1CC(F)(F)C1)CC2 96106346 BNQPDVIOVLRNOL-CYBMUJFWSA-N 317.376 2.323 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1COC[C@H]2CN(C3CCCC3)C[C@@H]12 97953315 CJLOEOJBIOBKSB-KBRIMQKVSA-N 315.417 2.157 0 40 DEAB COCCC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C 248038333 KBDIYCLCJVBIMI-NVXWUHKLSA-N 304.434 2.392 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 245338880 PAWIKOFNWSFJGP-DJSGYFEHSA-N 307.390 2.149 0 40 DEAB Cc1cnc([C@@H]2CN(Cc3nccn3C(C)C)CCO2)cn1 257315507 VBSHBFYOHWLONF-HNNXBMFYSA-N 301.394 2.136 0 40 DEAB COc1ccc([C@H]2CNCCN2C(=O)Cc2cccs2)cc1 257296662 RDTSTVXEVFMUFR-MRXNPFEDSA-N 316.426 2.472 0 40 DEAB CC(=O)N1CC[C@@H](Cc2nccnc2-c2scnc2C)C1 257222607 DTZPLYRXTLWILO-LBPRGKRZSA-N 302.403 2.319 0 40 DEAB CNc1cncc([C@@H]2CCCN2C(=O)c2cnc(C3CC3)nc2)n1 257263879 LRVUWWKORRRLDV-AWEZNQCLSA-N 324.388 2.163 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 298117889 SIVFCDPXECGOHC-BBRMVZONSA-N 318.417 2.396 0 40 DEAB Cc1nccn1CCCNC(=O)Nc1ccc2c(c1)OCCO2 47319144 ADPUHKJWUUWQMY-UHFFFAOYSA-N 316.361 2.175 0 40 DEAB CCOC(=O)[C@H](C)n1nc(C)n2c(cc3sc(C)cc32)c1=O 12115327 XKHIFCJDJQAQJN-VIFPVBQESA-N 319.386 2.452 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](CC)N(c1ccccc1)S(C)(=O)=O 13710933 CRQPNHAUWWTZFO-GXTWGEPZSA-N 312.435 2.146 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccccc2F)C1 3210078 VBMOQOKLWKRBSI-LBPRGKRZSA-N 309.337 2.006 0 40 DEAB CCN=c1nc(N2CCN([C@@H](C)c3ccccc3)CC2)cc[nH]1 1889128716 QGOKAAINBROESW-HNNXBMFYSA-N 311.433 2.214 0 40 DEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)NCc1ccccc1 6060140 NNVXYCHJBUWRPO-UHFFFAOYSA-N 318.760 2.395 0 40 DEAB Cc1ccc(/C=c2/sc3nc(-c4ccncc4)nn3c2=O)cc1 199482 IZMNBGWBGOFHRB-GXDHUFHOSA-N 320.377 2.069 0 40 DEAB Cc1ccc(N2C[C@H](NC(=O)NCc3ccco3)CC2=O)cc1 4359986 TWVQOPRJKUKYHO-CYBMUJFWSA-N 313.357 2.193 0 40 DEAB CCO[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc(CC)nc3)C2)C1 2055837523 YKGFGBDOCVQSHY-AEFFLSMTSA-N 318.417 2.444 0 40 DEAB Cc1ccc(OCC2CCN(c3ncc(F)cn3)CC2)nn1 1775966206 UMQKBDDHIBHGNN-UHFFFAOYSA-N 303.341 2.010 0 40 DEAB O=S(=O)(O)Oc1ccc([C@@H]2COc3cc(O)ccc3C2)cc1 22058390 UXOJWGSGKUYMIA-LBPRGKRZSA-N 322.338 2.293 0 40 DEAB biogenic,in-vitro COCCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cn1 32827469 YLIFKGTWJKYRFC-UHFFFAOYSA-N 315.373 2.425 0 40 DEAB C[C@H]1CCCCN1CCNC(=O)c1cn(C)nc1C(F)(F)F 53030841 QCVPPIFSHSPQRG-JTQLQIEISA-N 318.343 2.043 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)/C=C/c2ccco2)C[C@@H](C)O1 41864693 JGKQAZINPBVCJP-CWZTWBIVSA-N 306.406 2.297 0 40 DEAB O=S(=O)(CCc1ccccn1)NCC1(c2ccccc2)CC1 53645590 QUUAJDFJAGINTC-UHFFFAOYSA-N 316.426 2.275 0 40 DEAB C[C@H](C(N)=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22795882 WFBGWLWXEOJYEV-MRXNPFEDSA-N 323.440 2.267 0 40 DEAB O=S(=O)(NCC[C@H]1CCNC1)c1cccc(Cl)c1Cl 104350330 IQUZOWNWBDPFPT-SECBINFHSA-N 323.245 2.271 0 40 DEAB O=C(NCCc1c[nH]cn1)c1cc(-c2ccc(Cl)cc2)n[nH]1 12322112 TZFGDFTWDDEXFL-UHFFFAOYSA-N 315.764 2.426 0 40 DEAB CCC(O)(CC)CNC(=O)C[C@@H](NC(C)=O)c1ccc(C)cc1 72298129 LUQLOYGANYMRGL-MRXNPFEDSA-N 320.433 2.230 0 40 DEAB OCCOc1cc(F)ccc1NCc1cn2ccccc2n1 79054805 FNSFGGOJLOOIGL-UHFFFAOYSA-N 301.321 2.457 0 40 DEAB COC(=O)CNC(=O)c1nc(C)sc1-c1cccc(F)c1 79486599 OPULKDDGWGGFFS-UHFFFAOYSA-N 308.334 2.160 0 40 DEAB O=C(NCc1nnc2ccccn12)c1cccc(-n2cccc2)c1 23644859 HJOKCYITFMJCLV-UHFFFAOYSA-N 317.352 2.450 0 40 DEAB CC(C)(CO)NC[C@H](O)COc1ccc(Cl)cc1Cl 2679982 XRNMNYDCVWQBLE-JTQLQIEISA-N 308.205 2.094 0 40 DEAB CCOC(=O)[C@H](NC(=O)CC)[C@H](OC(=O)CC)c1ccccc1 4718995 XILBIJNJFDPPND-HZPDHXFCSA-N 321.373 2.139 0 40 DEAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@@H](c2ccn[nH]2)C1 72293487 VFPKOZHISCSYKS-BZNIZROVSA-N 315.348 2.259 0 40 DEAB NC(=O)COC(=O)c1cc2ccccc2n1Cc1ccccc1 56231647 HNRIKQWQXQLIOK-UHFFFAOYSA-N 308.337 2.332 0 40 DEAB COc1cc(OC)cc(C(=O)OCC(=O)N2CCC[C@@H](C)C2)c1 3244066 XKUGPUPLOVCRSM-GFCCVEGCSA-N 321.373 2.119 0 40 DEAB CC1CCN(C(=O)COC(=O)c2ccc(Cl)cc2N)CC1 3242871 PWGDUSSRSYXYFA-UHFFFAOYSA-N 310.781 2.338 0 40 DEAB CN(Cc1nnc2n1CCC2)C(=O)C12CC3CC(CC(C3)C1)C2 58394083 JSNODJOJPJOMLI-UHFFFAOYSA-N 314.433 2.399 0 40 DEAB Cc1cc2n(n1)C[C@H](CNC[C@H](c1cccs1)N(C)C)CN2 58428888 KAVBEXNQIITJIV-ZIAGYGMSSA-N 319.478 2.187 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cnn(C)c1 97142396 XTJMYMKHHLVKSL-CJNGLKHVSA-N 313.405 2.062 0 40 DEAB CCOC(=O)C1=C(CN(C)C2CCC(CC)CC2)NC(=O)NC1 48355379 KUITXIBCJAIZDV-UHFFFAOYSA-N 323.437 2.017 0 40 DEAB CC(C)(C)[C@@H]1CCc2sc(C(=O)N3CCNC(=O)C3)cc2C1 12811251 BAZXCELTJCRZGX-GFCCVEGCSA-N 320.458 2.471 0 40 DEAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCC(C(N)=O)CC2)c1 20112323 XMDMHUMECQJMGJ-CQSZACIVSA-N 318.417 2.103 0 40 DEAB CCc1noc([C@@H](C)Sc2nc(C)c(CC(N)=O)s2)n1 48705827 QDLBVXOXEHCJQC-SSDOTTSWSA-N 312.420 2.278 0 40 DEAB CNC(=O)COc1ccc(CNCc2ccccc2OC)cc1 48781906 TUMJWHDOVZQPJG-UHFFFAOYSA-N 314.385 2.110 0 40 DEAB O=C(O)c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 4089530 HGNCZWIESFNTCT-HNNXBMFYSA-N 322.320 2.278 0 40 DEAB biogenic O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)C2CC2)CC1 9219386 VQKSMWCCVHRZOT-UHFFFAOYSA-N 316.357 2.002 0 40 DEAB COc1ccc(OC)c2[nH]c(C(=O)Nc3ccn(C)n3)cc12 96116910 ZKYRFPGTLZGHFC-UHFFFAOYSA-N 300.318 2.171 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCN1CCN(Cc2nccn2C)CC1 65623875 ZWTRVTTVPPGWDK-IAGOWNOFSA-N 320.481 2.133 0 40 DEAB C[C@@H]1CCCN(CCNC(=O)c2ccc(CN(C)C)cc2)C1 65626037 IFXQOBIVFNZVGR-OAHLLOKOSA-N 303.450 2.210 0 40 DEAB CCCN(CC1CC1)C[C@H](O)COc1cccc(C(=O)OC)c1 6881725 RBXKSMDSCGDUIW-INIZCTEOSA-N 321.417 2.335 0 40 DEAB Cc1nccn1C[C@@H]1CCCN1S(=O)(=O)Cc1ccccc1 72300205 INQDUSIZKNEUBJ-INIZCTEOSA-N 319.430 2.186 0 40 DEAB Cc1cc(CS(=O)(=O)N[C@H]2CCCc3ccccc32)on1 72301835 HQCGSIGVYJEYQL-HNNXBMFYSA-N 306.387 2.480 0 40 DEAB O=C(NC[C@@H]1CCCO1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 84392892 PDFQZIMDUFIGTE-HOTGVXAUSA-N 322.380 2.212 0 40 DEAB CCNC(=O)N1CC[C@@H](N[C@H](C)c2sc(CC)nc2C)C1 90409916 GQYDGXYFEXMGRJ-ZYHUDNBSSA-N 310.467 2.468 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1 71859402 VYRWAVRKHNMOPQ-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB COc1ccc(CC(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc1 7614232 BPIRBUDLFKBPET-UHFFFAOYSA-N 324.336 2.102 0 40 DEAB CC(C)c1nnnn1CC(=O)N1CCC[C@H]1c1ccsc1 71839286 YNYQNPUWNJFFPR-LBPRGKRZSA-N 305.407 2.222 0 40 DEAB CC(=O)Nc1ccccc1OCC(=O)NCc1ccccc1F 7895673 GIWJJOBNZBSAHW-UHFFFAOYSA-N 316.332 2.479 0 40 DEAB C[C@H]1CN(Cc2cccc(C(N)=O)c2)c2ccccc2N(C)C1=O 72485130 ZUTXXBPCDMZAQY-ZDUSSCGKSA-N 323.396 2.405 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc2c(c1)CCC2 8039548 HYFMPAUWXASRRG-UHFFFAOYSA-N 305.341 2.403 0 40 DEAB COc1ccc(NC(=O)CN2CC(=O)Nc3ccccc32)cc1 8164079 FANWRRROYLDUAS-UHFFFAOYSA-N 311.341 2.092 0 40 DEAB CCCc1noc(CN2CCC[C@H]2C(=O)Nc2nccs2)n1 72632573 CYYWNOXENOZGON-JTQLQIEISA-N 321.406 2.082 0 40 DEAB CC(C)[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 17055816 QVJVNWQXZPWCIW-LBPRGKRZSA-N 324.446 2.173 0 40 DEAB CC1CCN(c2ccc(CNC(=O)Nc3cn[nH]c3)cn2)CC1 69432794 USZDPOWRWRTHEL-UHFFFAOYSA-N 314.393 2.363 0 40 DEAB CCN1CCN(C(=O)N[C@H](C)COc2cccc(C)c2)CC1 72019971 ONTXNAOVJUKUFK-OAHLLOKOSA-N 305.422 2.109 0 40 DEAB NC(=O)CCCNC(=O)[C@H](OC1CCCC1)c1ccccc1 69519630 KOPVQQFJHQGLLQ-MRXNPFEDSA-N 304.390 2.069 0 40 DEAB CCO[C@@H]1C[C@@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 69945285 PDWRVCDCTOIQOQ-DZGCQCFKSA-N 319.401 2.277 0 40 DEAB C[C@H](O)CN1CCN(Cc2c(Cl)ccc3cccnc23)CC1 69949761 PRJDAFFANBVGJQ-ZDUSSCGKSA-N 319.836 2.387 0 40 DEAB O=C(CCSc1ccccn1)Nc1nnc2n1CCCC2 97079895 XMJMJCQLOVTTAO-UHFFFAOYSA-N 303.391 2.130 0 40 DEAB CC(=O)N1CCN([C@H]2CN(CCC3CCCC3)C[C@H]2C)CC1 84714508 AFSPOYJAGZQRRW-QAPCUYQASA-N 307.482 2.051 0 40 DEAB O=C(Nn1cnnc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 95465368 TXDHMYNJAFENGE-UWVGGRQHSA-N 312.251 2.051 0 40 DEAB COc1cc2c(cc1CNC(=O)c1ccncc1F)O[C@@H](C)C2 95430991 HZNXYVZCENGEGN-JTQLQIEISA-N 316.332 2.483 0 40 DEAB CCOc1cccc2cc([C@@H](C)NC(=O)c3nc[nH]n3)oc12 95430614 HYPMZARRBXUQBW-SECBINFHSA-N 300.318 2.441 0 40 DEAB O=C(CCNc1nc2ccccc2c(=O)[nH]1)NC1CCCCC1 97995089 FCSPMJXEIRGDSE-UHFFFAOYSA-N 314.389 2.174 0 40 DEAB CC[C@@H](NC(=O)[C@@H](C)Sc1ccccn1)c1nc(C)n[nH]1 84979178 YZTMJAGNFWNLPC-MWLCHTKSSA-N 305.407 2.256 0 40 DEAB Cc1cccnc1CNC(=O)NCCOc1ncccc1Cl 89700544 GDVBIROTHTTXMA-UHFFFAOYSA-N 320.780 2.317 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1cnccn1 75602141 FNXJJQPXJGXQCF-LLVKDONJSA-N 305.769 2.149 0 40 DEAB O=C(C1CC1)N1CC[C@]2(CCn3c(-c4cccnc4)cnc32)C1 306124504 BRVIELOLNGUXCC-SFHVURJKSA-N 308.385 2.229 0 40 DEAB CCCCN1C(=O)[C@H](C(N)=O)[C@H]2C[C@@]1(C)Oc1ccccc12 524729058 AXKYNGSDACXUOZ-RVSPLBMKSA-N 302.374 2.013 0 40 DEAB biogenic O=S(=O)(NCC[C@@H](O)C1CC1)c1ccc(C(F)(F)F)cc1 77108077 RAMTYLZXFUTMRJ-GFCCVEGCSA-N 323.336 2.145 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2cncc(-c3ccccc3)n2)C1 72359440 CRYZKBFFHYWXOF-CQSZACIVSA-N 317.414 2.283 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N[C@H](C)[C@H](C)CO)no1 77681786 DSESFZPUCUXZCA-NXEZZACHSA-N 304.350 2.183 0 40 DEAB CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1nnnn1[C@H]2c1ccccc1F 72332426 LTKJRZLTFIEFSV-XBFCOCLRSA-N 315.352 2.201 0 40 DEAB COc1cc(CCC(=O)Nc2cccc(NC(C)=O)c2)on1 79495692 RRWNTGQXTIJWEZ-UHFFFAOYSA-N 303.318 2.213 0 40 DEAB CN(C)c1nc(N)nc(CSCc2ccc(Cl)nc2)n1 78555641 AMHLXHFELWTKJT-UHFFFAOYSA-N 310.814 2.002 0 40 DEAB O=C(Cn1cccn1)Nc1nnc(CCc2ccccc2)s1 36752316 KEBGMDQVRLYCSE-UHFFFAOYSA-N 313.386 2.159 0 40 DEAB O=C(O)[C@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 218040223 RNTIHOVXFWISGI-ZNMIVQPWSA-N 302.351 2.327 0 40 DEAB CCN(C[C@@H]1CCCCN1CCN)C(=O)OCc1ccccc1 79411591 NLFTXXIJXZJDHL-KRWDZBQOSA-N 319.449 2.458 0 40 DEAB CCCCc1noc([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2)n1 41122514 OZGNFCIHOAERBL-STQMWFEESA-N 307.394 2.297 0 40 DEAB CSCC[C@](C)(O)CNS(=O)(=O)/C=C/c1ccccc1 75157544 UOHIBHLJDJOVLY-ZHZWZMEUSA-N 315.460 2.081 0 40 DEAB CC(C)c1nc(C2(NCc3nc(N(C)C)no3)CCCC2)no1 192733477 AUKNIVMUYPNWNE-UHFFFAOYSA-N 320.397 2.201 0 40 DEAB CO[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)[C@@H](CN)C1 195557554 IJTHJZDBAILCTL-HBNTYKKESA-N 316.854 2.470 0 40 DEAB Cc1cnc([C@@H](C)N2CCN(Cc3nc(C)c(C)o3)CC2)o1 332100812 RIRLACGWDDPPER-CYBMUJFWSA-N 304.394 2.467 0 40 DEAB COc1ccc(CN(C)S(=O)(=O)CC2CCCCC2)cn1 97227923 LBEADDSXAKJNGC-UHFFFAOYSA-N 312.435 2.432 0 40 DEAB Cn1ccnc1CN1CCC2(CC1)CN(c1ccccc1)C2=O 96202914 QCVDNHTWRXMDSZ-UHFFFAOYSA-N 310.401 2.049 0 40 DEAB c1cnc(N2CCC3(CCN(Cc4cccnc4)C3)CC2)nc1 96157407 PIOGPKLGNAXDMT-UHFFFAOYSA-N 309.417 2.364 0 40 DEAB COC(=O)C[C@H](c1cccc(O)c1)c1oc(C)cc(=O)c1O 96114031 IXWIRPMZHCJILZ-GFCCVEGCSA-N 304.298 2.054 0 40 DEAB biogenic CCn1ncc2c1[C@@H](COC)CN(C(=O)C1=CCCCC1)C2 96198343 JWCBDSUWROQFDJ-OAHLLOKOSA-N 303.406 2.476 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)c2cccc(Cl)c2)n1 96120953 DCGBJRWONKRUTG-UHFFFAOYSA-N 304.781 2.434 0 40 DEAB O=C1NC2(CCN(Cc3ccccn3)CC2)C[C@H]1c1cccnc1 96061385 KOGCLEPHMLSGEQ-KRWDZBQOSA-N 322.412 2.115 0 40 DEAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)CNC(=O)OC)o1 96433227 QKHMBPIHZVQQPU-DGCLKSJQSA-N 308.378 2.498 0 40 DEAB COc1ccc(CN2CC3(CCN(c4ncccn4)C3)C2)cc1 96202594 OYXGZSJDLWWESK-UHFFFAOYSA-N 310.401 2.198 0 40 DEAB Cc1cc([C@@](C)(O)CNC(=O)NC2CCSCC2)c(C)o1 96440520 LBLPYHQHUODYRJ-HNNXBMFYSA-N 312.435 2.299 0 40 DEAB C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(C[C@H](O)CC(F)(F)F)C2=O 248860492 ACNAHHGLJJAILT-BSTOTGJRSA-N 322.327 2.046 0 40 DEAB Nc1nccnc1C[C@@H]1CCCN(C(=O)c2ccsc2)C1 257228950 FVYYFAWOHKFXLG-NSHDSACASA-N 302.403 2.215 0 40 DEAB O=C(O)c1ccccc1-c1ccc(Cn2ncccc2=O)cn1 257282007 ORWQWVCRJUADSS-UHFFFAOYSA-N 307.309 2.052 0 40 DEAB C[C@]1(O)CN(CC2CCOCC2)CC[C@@H]1Oc1cccc(F)c1 257315127 UZZWOUHWHLMTTG-ROUUACIJSA-N 323.408 2.456 0 40 DEAB O=C([C@@H]1Cc2cc(F)ccc2O1)N1CCC[C@H](c2ccn[nH]2)C1 72293485 VFPKOZHISCSYKS-ZBEGNZNMSA-N 315.348 2.259 0 40 DEAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC(C)(C)C(N)=O)c1 57050886 VCPSGGAOOUXTMM-GFCCVEGCSA-N 306.406 2.266 0 40 DEAB CCCc1n[nH]c([C@@H]2CN(CC3(O)CCC(C)CC3)CCO2)n1 76050382 SXVXRBPOVJHHPG-UUCFBXCCSA-N 322.453 2.072 0 40 DEAB Cc1ccc(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)cc1 58173731 BRICFNBQSXLSJG-INIZCTEOSA-N 303.406 2.324 0 40 DEAB Cc1cccc(C2=CCN(CCCNS(C)(=O)=O)CC2)c1 92822344 HFFUCEYWOXTLTP-UHFFFAOYSA-N 308.447 2.023 0 40 DEAB Cc1cc(C)cc(OCCN(C)C(=O)[C@@]2(O)CCSC2)c1 95980001 VFOJMOIFWTVWNC-MRXNPFEDSA-N 309.431 2.009 0 40 DEAB CN(C)S(=O)(=O)c1cccc(C(=O)OC2CCCCC2)c1 5576310 UCGAZWSGPGHQLA-UHFFFAOYSA-N 311.403 2.426 0 40 DEAB Cc1ccc2[nH]c3nc(SCC(=O)NC4CC4)nnc3c2c1 5751024 HTEIZVNHUMCLEC-UHFFFAOYSA-N 313.386 2.185 0 40 DEAB O=C(CCCc1nc(-c2ccccc2)no1)N[C@@H]1CCCOC1 12194333 VZJYXBPANOLNPM-CQSZACIVSA-N 315.373 2.355 0 40 DEAB COc1ccccc1/N=c1\oc2cc(O)ccc2cc1C(N)=O 13750195 YSHJWLHOMKRSRH-ZPHPHTNESA-N 310.309 2.478 0 40 DEAB O=C(c1ccccc1)N1CCc2nc([C@H]3CCCN3)ncc2C1 19368914 PLGMINNTBCQGAT-MRXNPFEDSA-N 308.385 2.100 0 40 DEAB CSC[C@](C)(O)CNC(=O)c1cc(Br)cs1 151035773 LHDAPBUYAQNOMV-SNVBAGLBSA-N 324.265 2.354 0 40 DEAB CSc1cccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)c1 253399410 JBXPHZQDCSQNGP-YUELXQCFSA-N 307.415 2.475 0 40 DEAB CCc1noc(C)c1C(=O)OCC(=O)N1CCc2ccccc21 5166722 BBPOEMZDGJMTEW-UHFFFAOYSA-N 314.341 2.292 0 40 DEAB Cc1cc(N2C[C@H]3CCCC[C@@]3(CO)C2)n2nc(C)cc2n1 1888853953 HDLLRWVCIGMLTI-PBHICJAKSA-N 300.406 2.335 0 40 DEAB CSc1nc(C)cc(N2CC(COc3cccnc3)C2)n1 1889098471 UXPPLQLTYBXVCN-UHFFFAOYSA-N 302.403 2.417 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1ccc(CN2CCCCC2)cc1 24586546 CGINSOCWPDCTSE-UHFFFAOYSA-N 318.417 2.354 0 40 DEAB Cc1nc(C(=O)N2CCC3(CC2)C[C@H](N(C)C)CCO3)cs1 1614935224 XDDQPDJRMYNFAP-CYBMUJFWSA-N 323.462 2.167 0 40 DEAB O=C(NCc1nnnn1-c1ccc(F)c(F)c1)C1CCCCC1 9570828 HWTGYLJFTFHMIR-UHFFFAOYSA-N 321.331 2.137 0 40 DEAB O=C(c1ccno1)N1CCN(c2nc3ccccc3s2)CC1 10253987 CCRCMBXTZHZEDR-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB Cc1ccc(N2Cc3nc(=O)n(Cc4ccccc4)n3C2=O)cc1 32101900 MNTQWMQUCGKSIR-UHFFFAOYSA-N 320.352 2.390 0 40 DEAB O=C(COc1ccccc1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100621772 LPOBNCVBSGLGFD-JFIYKMOQSA-N 314.429 2.398 0 40 DEAB C[C@H](C(=O)O)N1C(=O)COc2ccc(-c3cscn3)cc21 31869824 REIMVXJUMAWMGN-MRVPVSSYSA-N 304.327 2.009 0 40 DEAB O=C(O)c1cccc(Cn2c(S)nnc2[C@H]2CCCO2)c1 20735283 KXRKANZNSMFIDU-LLVKDONJSA-N 305.359 2.165 0 40 DEAB O=C1CN(c2ncnc3sccc23)CCN1C1CCCC1 32518086 MUFNPEJRGQTWKK-UHFFFAOYSA-N 302.403 2.283 0 40 DEAB CCn1nnc2cc(C(=O)OCc3c(C)noc3C)ccc21 32708149 RCMZYHRGCRLYGW-UHFFFAOYSA-N 300.318 2.413 0 40 DEAB CNC(=O)c1ccc(OCC(=O)c2ccc3c(c2)OCO3)cc1 32783890 BKAJIGUJGKTINF-UHFFFAOYSA-N 313.309 2.037 0 40 DEAB O=C(Cc1ccc(OC(F)(F)F)cc1)NC1=NCCS1 42195167 ZQRIZSVZXOMYON-UHFFFAOYSA-N 304.293 2.347 0 40 DEAB CCN(Cc1ccn(C)c(=O)c1)C[C@H]1COc2ccccc2O1 42112785 DKNYAPFKBDVRRQ-HNNXBMFYSA-N 314.385 2.047 0 40 DEAB COC(=O)C[C@H](NC(=O)C1CCOCC1)c1ccc(C)cc1 22873916 YALAHKFZSZYAMX-HNNXBMFYSA-N 305.374 2.142 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)c2csc(Br)c2)C1 37436093 SJGRAAGMHAUFMN-SSDOTTSWSA-N 318.192 2.447 0 40 DEAB CCS(=O)(=O)NC[C@@H]1CCCC[C@@H]1OCC(F)(F)F 77395454 XYOZYRIDDHAFDI-UWVGGRQHSA-N 303.346 2.063 0 40 DEAB CCc1ccc(CN2CCC(n3cc(C[C@@H](C)O)nn3)CC2)o1 23312053 NOGHLNNUPCPGTR-CYBMUJFWSA-N 318.421 2.194 0 40 DEAB O=C(Cc1c(O)[nH]c2ccccc2c1=O)NC1CCCCC1 9059103 VFRQULAAEXOFKE-UHFFFAOYSA-N 300.358 2.225 0 40 DEAB CCOC(=O)c1nnsc1NC(=O)NCc1ccccc1 1416864 RNZYJKBKDCIGGM-UHFFFAOYSA-N 306.347 2.037 0 40 DEAB Cn1cc([C@@](C)(O)CNC(=O)/C=C/c2ccc(Cl)cc2)cn1 78963970 WQOAJBONETXJQY-WHWKNOJMSA-N 319.792 2.111 0 40 DEAB C[C@H](COc1ccccc1F)NC(=O)NC1CCC(O)CC1 55087679 IOACFGHHVVQVBW-PNESKVBLSA-N 310.369 2.196 0 40 DEAB Cn1cc(CCNC(=O)N[C@@H]2CCSc3ccccc32)cn1 43166549 RRMZABHBMSLIIA-CQSZACIVSA-N 316.430 2.499 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N2C[C@H](C)O[C@@H](C)C2)cc1 43304134 JFYPEQCJTDOXOV-AVGNSLFASA-N 319.405 2.081 0 40 DEAB CCCCn1c(SCc2nccn2C(F)F)n[nH]c1=O 12535326 WEEXDVRUIZDXMG-UHFFFAOYSA-N 303.338 2.255 0 40 DEAB Cc1cc(CCC(=O)N2CC[C@H](O)C2)ccc1Br 85382163 VJRJDIJDZDAYLD-LBPRGKRZSA-N 312.207 2.283 0 40 DEAB Cc1cccc2c1CCN(c1cc(N3CCC[C@H]3CO)ncn1)C2 107048259 GZXNVQNCIUYSIK-INIZCTEOSA-N 324.428 2.309 0 40 DEAB CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)Cc1cccc(OC)c1)CCO2 107720447 RXQYLBJGPHTUCK-NUJGCVRESA-N 319.401 2.033 0 40 DEAB CC(C)c1cc(C(=O)NCc2ccc3c(c2)OCCO3)n[nH]1 44820302 NXLBXXIYFNCURW-UHFFFAOYSA-N 301.346 2.234 0 40 DEAB CNC(=O)c1ccc(CN(c2nccc(OC)n2)C2CC2)cc1 45026469 TXEYFJQTSKZHHK-UHFFFAOYSA-N 312.373 2.014 0 40 DEAB CC(C)NC(=O)COc1ncnc2sc3c(c12)CCCC3 3366267 KDUZFPSPVBCNAF-UHFFFAOYSA-N 305.403 2.474 0 40 DEAB Cc1cc(C)c(C(=O)NC[C@@H]2OCCc3sccc32)c(=O)[nH]1 72501459 WCMQYDVZUZUHBF-LBPRGKRZSA-N 318.398 2.097 0 40 DEAB CC(C)(C)n1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cn1 48362597 QVGNSCIKOXUWPS-UHFFFAOYSA-N 300.318 2.325 0 40 DEAB COc1c(C(=O)NCCSCc2ccccc2)c(C)nn1C 95395624 CRFWBDPCVWRSGY-UHFFFAOYSA-N 319.430 2.400 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 48332518 OGKRKPVLICCPFY-LRDDRELGSA-N 313.353 2.499 0 40 DEAB CCCCCCNC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 84743115 FYGPKFTTYUVHCF-HOCLYGCPSA-N 303.406 2.298 0 40 DEAB Cc1ccsc1C(=O)N1CCN(C(=O)c2ccoc2)CC1 25234572 JUEGAJWJVZOWID-UHFFFAOYSA-N 304.371 2.248 0 40 DEAB OCCCN1CCN(Cc2csc(-c3ccccc3)n2)CC1 45915338 UHWOYBXJWLSIHJ-UHFFFAOYSA-N 317.458 2.310 0 40 DEAB CC[C@@H](CNC(=O)N1CCC[C@@H]1CO)Oc1ccccc1F 84733688 KUYNFRPBZWIOOP-OLZOCXBDSA-N 310.369 2.149 0 40 DEAB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)NC1CCCC1 3510521 DDLUGAIIYHHFED-NSHDSACASA-N 317.418 2.202 0 40 DEAB COCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)CC(C)C 9267047 SZPQVAYRCLILFA-UHFFFAOYSA-N 316.401 2.468 0 40 DEAB Cc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)c(C)c1 65225018 QOYNFKYVBRQLDJ-UHFFFAOYSA-N 312.373 2.182 0 40 DEAB C[C@@H](NC(=O)c1cncc(C(=O)N[C@H](C)C2CC2)c1)C1CC1 49601753 ROENJOLULOWGNY-GHMZBOCLSA-N 301.390 2.138 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)Nc1ccc(C(F)(F)F)cc1 14184610 DXNHRHWWJRGULD-VIFPVBQESA-N 321.320 2.469 0 40 DEAB CCCNC(=O)NC(=O)COC(=O)c1cc2c(s1)CCCC2 4581310 JTVLKCDMDZOWDH-UHFFFAOYSA-N 324.402 2.020 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(F)cc1 24725369 LRKFWOFWKRVWGN-SMDDNHRTSA-N 311.353 2.297 0 40 DEAB CC(=O)N1CCCN(C(=O)N[C@H]2CCCC[C@@H]2C(C)C)CC1 71799704 CYBNYOQUHBOWFP-CVEARBPZSA-N 309.454 2.465 0 40 DEAB CCNC(=O)[C@@H]1CCCN(Cc2ncc(C)c(OC)c2C)C1 67227385 GKCGRWDLKJSZCV-CQSZACIVSA-N 305.422 2.055 0 40 DEAB COc1cccc(CC(=O)NC[C@@H]2COc3ccccc3O2)c1 5918581 FEWIUZWHDXAYDY-OAHLLOKOSA-N 313.353 2.194 0 40 DEAB c1csc(-c2nnc(CSCCN3CCOCC3)o2)c1 95446218 ZQWFCTXDXKKQQX-UHFFFAOYSA-N 311.432 2.364 0 40 DEAB Cc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N(C)C 7238953 KZEPMWCDUYQVCT-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCCn2ncnc21 71839380 TZXJKQYHSVQADR-HUUCEWRRSA-N 312.373 2.183 0 40 DEAB O=C(CCN1CCCCC[C@H]1c1ccco1)N1CCOCC1 71914925 ICNLPHNNOZAAKI-HNNXBMFYSA-N 306.406 2.446 0 40 DEAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2O)cc1OC 8209515 GPOQAEJTDMXKKB-KRWDZBQOSA-N 317.385 2.278 0 40 DEAB CC(C)N(CC(N)=O)Cc1cc(F)ccc1Br 69347548 RXCHWDXEJTWRFC-UHFFFAOYSA-N 303.175 2.284 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@H](n3cccn3)C2)cc1 69417963 VAKMMYAKEQGNNH-KRWDZBQOSA-N 312.417 2.422 0 40 DEAB C[C@H](Nc1ccc2oc(=O)[nH]c2c1)C(=O)NCc1ccccc1 69930541 NJAZPCQZMKQSAY-NSHDSACASA-N 311.341 2.238 0 40 DEAB CC(C)N(C)S(=O)(=O)N1CCc2[nH]c3ccccc3c2C1 96998921 LHVPVPWDWGERLO-UHFFFAOYSA-N 307.419 2.111 0 40 DEAB CN1CCc2c(cccc2NC(=O)c2cccc3nn[nH]c23)C1 97103899 CJDFECMOKILKLZ-UHFFFAOYSA-N 307.357 2.198 0 40 DEAB Cc1ccc(NC(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)cc1 72311255 HRCJVTSAHHZWSW-LBPRGKRZSA-N 310.419 2.424 0 40 DEAB CCN(Cc1ccccn1)[C@@H]1CCCN(CC(F)(F)F)C1=O 95975876 DHZYJGNYCCCDQU-CYBMUJFWSA-N 315.339 2.457 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCCCCc2ccccc2)CC1=O 170196918 IYCISKKILDXFHL-INIZCTEOSA-N 302.418 2.382 0 40 DEAB CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CC=CC[C@@H]3C2)CC1 89662415 XGPQSPBXSHSCTQ-CHWSQXEVSA-N 306.406 2.468 0 40 DEAB CC(C)NC(=O)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 89885221 TZHKHCFMQSXVJU-UONOGXRCSA-N 323.824 2.410 0 40 DEAB CCOC(=O)c1nn(CC(C)C)cc1I 408715800 DWYXSLHCALSHQE-UHFFFAOYSA-N 322.146 2.320 0 40 DEAB Cc1noc(C)c1CNC(=O)CC1(n2cccc2)CCOCC1 524733143 YXPDEGFTMIEBPV-UHFFFAOYSA-N 317.389 2.305 0 40 DEAB CC(=O)c1c(C)nc(C)nc1SCC(=O)Nc1cc(C)on1 78709642 RAOVHKLFQCIVQQ-UHFFFAOYSA-N 320.374 2.323 0 40 DEAB COc1ccc([C@@H]2[C@@H](C(=O)N3CCCC3)CCC(=O)N2C)cc1 72242096 DZNCUWVUJATMJR-DOTOQJQBSA-N 316.401 2.227 0 40 DEAB CC(C)Oc1ccc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)cc1 72324774 UTQHYDCGENFTLV-BHYGNILZSA-N 304.434 2.113 0 40 DEAB CC(=O)N1CCN(C(C)=O)[C@H](c2ccc(C(F)(F)F)cc2)C1 72368123 RRCBTQQKFIOJST-AWEZNQCLSA-N 314.307 2.457 0 40 DEAB CC(=O)N1CCC[C@@H]1c1cc(Nc2nnc(C)s2)nc(C)n1 72382680 JVQNYIAIUWOTID-GFCCVEGCSA-N 318.406 2.372 0 40 DEAB O=C(NC[C@@H](O)C1CCCCC1)c1ccc2nsnc2c1 70636653 SWVLPCNZNZEMSJ-CQSZACIVSA-N 305.403 2.362 0 40 DEAB Cc1ccc(NC2CCN(C(=O)CC[C@@H]3CCCO3)CC2)nn1 69897017 TVOIXJIOHOIZQW-HNNXBMFYSA-N 318.421 2.147 0 40 DEAB COc1ccc(CNC(=O)Cn2ccc(=O)c3ccccc32)cc1 225717625 HFFKUDNPJNOUTG-UHFFFAOYSA-N 322.364 2.327 0 40 DEAB CC(C)(N)c1nocc1C(=O)N1CCC(c2ccncc2)CC1 570105806 CZZNTGOOAUWGQD-UHFFFAOYSA-N 314.389 2.283 0 40 DEAB C[C@H]1CCCN(C[C@H](O)COCCOc2ccc(F)cc2)C1 41690221 FTGWBCGALZPYGI-HOCLYGCPSA-N 311.397 2.314 0 40 DEAB CCOCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cn1 225891470 PJHSPOZMKWQRGF-INIZCTEOSA-N 308.378 2.251 0 40 DEAB CSc1cncc(N2CC[C@H](OCc3ccncc3)C2)n1 192903472 GCMOCQYJQAKURU-ZDUSSCGKSA-N 302.403 2.389 0 40 DEAB CC(=O)N[C@H](c1ccccc1)c1cccc(S(C)(=O)=O)c1 81278407 HALDYESKHWVAGA-MRXNPFEDSA-N 303.383 2.316 0 40 DEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)[C@@H]1C[C@@H]1C1CC1)[C@@H]3C2 195556300 VVHPJLSJGKUXMX-LYUDMSCLSA-N 323.458 2.399 0 40 DEAB CN(CCN1CCOCC1)Cc1cn(C)nc1C1CCCCC1 97372981 HKTOPYKKIFBJBZ-UHFFFAOYSA-N 320.481 2.232 0 40 DEAB F[C@@H]1CN(C2CCOCC2)C[C@@H]1OCc1nc2ccccc2[nH]1 96112174 KSRBTWWPOMZKAL-CJNGLKHVSA-N 319.380 2.281 0 40 DEAB biogenic,in-vitro O=C(c1ccsc1)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1 96053752 PJMNJSOEGZPWTM-IYBDPMFKSA-N 313.426 2.347 0 40 DEAB Cc1nn(CCNC(=O)[C@@H]2CCOC2)c(C)c1-c1ccccc1 238829776 FQAXCNMKKUTLMA-MRXNPFEDSA-N 313.401 2.320 0 40 DEAB CCOc1cccc(N2CCN(CC[C@@H]3CCCN3C)CC2)n1 96489067 AVNURYMNGXNOAF-INIZCTEOSA-N 318.465 2.087 0 40 DEAB CC(C)Nc1ccnc([C@H]2COCCN2Cc2ccco2)n1 96216981 CFACJDJDHMAZLA-CQSZACIVSA-N 302.378 2.463 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 96158552 BVUKLFIPJGBJPR-HUUCEWRRSA-N 314.433 2.342 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CC1)CN(CC1CCOCC1)C2 96044941 HOLSWJJFYVFYJK-MRXNPFEDSA-N 319.449 2.173 0 40 DEAB C[C@@H]1c2ccc(F)cc2CCN1CC(=O)NC[C@@H]1CCCO1 96415717 WPBYEINBNVHGDF-DOMZBBRYSA-N 306.381 2.040 0 40 DEAB O=C(NCCCNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C1CCC1 96451679 VNSKGYURUFUFFM-HOTGVXAUSA-N 318.392 2.352 0 40 DEAB O=C(NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCOC1 96431478 FGYSOASEIWXMHC-CYBMUJFWSA-N 317.364 2.097 0 40 DEAB O=C(c1cc(Cl)cc(Br)c1O)N1CC[C@@H](O)C1 96469194 WCLIYFCYIHQNFZ-SSDOTTSWSA-N 320.570 2.015 0 40 DEAB O=C(CC1CC1)N1CCC2(CCCN(c3ncccn3)C2)CC1 96158554 NXJQNIPSIPBCFR-UHFFFAOYSA-N 314.433 2.486 0 40 DEAB CO[C@H]1CCOC2(C1)CN(C(=O)c1ccc(F)c(Cl)c1)C2 247923829 CZUYXVCBCSYGIP-NSHDSACASA-N 313.756 2.499 0 40 DEAB CC[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCCn2nc(COC)nc21 245344057 XEFNLFDRCFMNEC-UPJWGTAASA-N 321.425 2.137 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)n1 257315570 VBYWJXBRSFUFTC-ZDUSSCGKSA-N 317.364 2.263 0 40 DEAB Cc1cc(N2CCC[C@H]2c2cncc(-c3ncc[nH]3)n2)ncn1 257297903 RJHNYANZRVUSIU-AWEZNQCLSA-N 307.361 2.307 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1c1ccncn1 257329010 XHZZZDHELAVLSD-CQSZACIVSA-N 311.341 2.225 0 40 DEAB c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CCOCC2)c1 253479038 OIKWPODUUSYQHE-KSZLIROESA-N 304.434 2.394 0 40 DEAB O=S(=O)(CCC(F)(F)F)N[C@H]1CCc2ccccc2C1 284023358 VZHJTLAFOWCACM-LBPRGKRZSA-N 307.337 2.416 0 40 DEAB CCc1ccc(S(=O)(=O)NCC[C@H](O)c2ccoc2)s1 96097327 MDCKZWHLGMCDDO-LBPRGKRZSA-N 315.416 2.306 0 40 DEAB C[C@H](C(=O)N1CCc2ccccc2C1)n1nc(C2CC2)ccc1=O 575606992 HTKRUVLSAKXMDP-CYBMUJFWSA-N 323.396 2.267 0 40 DEAB COc1ccccc1CC(=O)N1CCO[C@@H](c2ccncc2)C1 585180244 HITVTJMSKXLRIV-QGZVFWFLSA-N 312.369 2.233 0 40 DEAB O=C1CCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)CCN1 72274241 DKEXVENWNAMIBF-QGZVFWFLSA-N 315.417 2.449 0 40 DEAB CCS(=O)(=O)NCCCN[C@H]1CCCc2cc(F)ccc21 97033324 DHMCGEJNTJKJIN-HNNXBMFYSA-N 314.426 2.122 0 40 DEAB CCN(CC)CCCNS(=O)(=O)c1cccc2cccnc12 11851924 DCCCBBJKKCVKTE-UHFFFAOYSA-N 321.446 2.245 0 40 DEAB CSc1ccccc1C(=O)N1CCN(c2nccn2C)CC1 12444530 KJHYFVDIJZDISZ-UHFFFAOYSA-N 316.430 2.104 0 40 DEAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 19681212 ZBBRHIHEFZCFPA-SNVBAGLBSA-N 314.407 2.121 0 40 DEAB COc1ccc(C(=O)NCCC2CCN(C)CC2)cc1OC 156367564 IPLWPAZCHPQUOU-UHFFFAOYSA-N 306.406 2.166 0 40 DEAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 16899661 IFCBCENYNYPYER-ZDUSSCGKSA-N 321.398 2.232 0 40 DEAB CO[C@H](CNC1=NS(=O)(=O)c2ccccc21)c1ccccc1 25247839 ZAQNVQRGGGNGMJ-CQSZACIVSA-N 316.382 2.113 0 40 DEAB CSCC[C@@H](O)CNC(=O)NCc1ccc(Cl)cc1 1775967331 MSJPZIYEVQTQOM-GFCCVEGCSA-N 302.827 2.253 0 40 DEAB COC(=O)N1CCC(CNC(=O)Nc2cccc(OC)c2)CC1 43982843 SUSCASDRSHLYOV-UHFFFAOYSA-N 321.377 2.295 0 40 DEAB COCCNC(=O)N(Cc1cccs1)Cc1cccn1C 49521805 AOOVJIWZEHXZMH-UHFFFAOYSA-N 307.419 2.445 0 40 DEAB COc1ncccc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 40494408 PYVBHEMWFBOQGR-GFCCVEGCSA-N 314.341 2.002 0 40 DEAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@H]2C[C@H]2C)CC1 32307937 SFUKWHFBFAHZHA-CJNGLKHVSA-N 300.402 2.372 0 40 DEAB COc1ccc(-c2nnc(CN3CCN(C(C)C)CC3)o2)cc1 40945379 GZEFIMNXOODQSO-UHFFFAOYSA-N 316.405 2.271 0 40 DEAB O=C(NCCN1Cc2ccccc2C1=O)NC1CCCCC1 128520 XPMYWHPYXFWDJP-UHFFFAOYSA-N 301.390 2.274 0 40 DEAB COc1ccc2nc(C(=O)N3C[C@@H](C)[C@@H](N(C)C)C3)ccc2c1 78894622 WQUROYOMUVGSLQ-PXAZEXFGSA-N 313.401 2.266 0 40 DEAB O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1 1348037 KWLFCXYTYHLZRR-UHFFFAOYSA-N 318.323 2.484 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)[C@H](C)O2 1362161 KFZWKWWNYJMDMP-ZDUSSCGKSA-N 302.374 2.121 0 40 DEAB Cn1ccnc1CNC(=O)c1c(O)cc(Cl)cc1Cl 79026274 QZKCPZJKVKROPI-UHFFFAOYSA-N 300.145 2.363 0 40 DEAB O=C(COC1CCCCC1)Nc1cccc(-c2nnn[nH]2)c1 79390161 HGBYESSCBKDXIC-UHFFFAOYSA-N 301.350 2.155 0 40 DEAB C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccc2c(c1)CCC(=O)N2 42867559 SCDDFLTTZQMABF-RISCZKNCSA-N 317.389 2.111 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)c1 24359244 AAGUOOHOBXRQAF-LLVKDONJSA-N 323.370 2.414 0 40 DEAB O=S(=O)(c1cccnc1)N(CC(F)(F)F)c1ccncc1 97048827 SNVUPQVDYDNFTH-UHFFFAOYSA-N 317.292 2.234 0 40 DEAB O=CN1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 6321251 JTNADTKTBKVOAG-UHFFFAOYSA-N 302.161 2.299 0 40 DEAB C[C@H]1C[C@H]1C(=O)NCC(=O)N[C@H](C)Cc1cccc(Cl)c1 106080910 MRHZOCXADOFOKZ-MISXGVKJSA-N 308.809 2.159 0 40 DEAB Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCCCC1 7909220 HSZBKLNTSLISQE-OAHLLOKOSA-N 317.433 2.233 0 40 DEAB COc1cc(C(=O)Oc2c(C)occc2=O)cc(OC)c1OC 8535881 BHBNCOSRPXOXBI-UHFFFAOYSA-N 320.297 2.193 0 40 DEAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)Cn2cncn2)cc1 55692050 LKRGFVKKRQVEOA-AWEZNQCLSA-N 316.405 2.203 0 40 DEAB C[C@@H](CC(N)=O)NC(=O)CCSc1ccc(Cl)cc1 72297817 PZNONMSLRKNHIA-VIFPVBQESA-N 300.811 2.202 0 40 DEAB Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cccnc3)C2)n1 56082004 FEHJXGJASIYBJI-HNNXBMFYSA-N 324.384 2.276 0 40 DEAB CCn1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)cn1 43645830 DJRILPYKTXRZFQ-AWEZNQCLSA-N 317.393 2.455 0 40 DEAB CN1CCO[C@@H](CNCc2ccc(F)cc2Br)C1 72267967 KFWKUYGHFBNUEV-LBPRGKRZSA-N 317.202 2.008 0 40 DEAB CN(C(=O)COC(=O)c1ccc2c(c1)OCO2)C1CCCCC1 3253706 DJXLNPUTRILOAV-UHFFFAOYSA-N 319.357 2.363 0 40 DEAB Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)nc1 9423767 JEADOJGXNAFWEB-UHFFFAOYSA-N 308.341 2.129 0 40 DEAB COCC(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1 25510616 BRXNFLQKKDJQRH-UHFFFAOYSA-N 308.359 2.412 0 40 DEAB CCCCN1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 57620351 XHQUFSPXMDHYMS-UHFFFAOYSA-N 318.389 2.071 0 40 DEAB COC[C@H](C)NC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 48251790 CXRUELIPTBRHER-STQMWFEESA-N 317.393 2.005 0 40 DEAB CCn1cnnc1CNC(=O)c1sccc1Br 48236514 YWPKQRCNNQIBKX-UHFFFAOYSA-N 315.196 2.052 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2ccccn2)c1C 27097916 ALPJVWVJVFOOKP-JTQLQIEISA-N 301.346 2.304 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCc1ccc([C@@H](C)O)cc1)CN2 58291767 UNRJITIPAHRQKA-HIFRSBDPSA-N 300.406 2.076 0 40 DEAB COCCCNc1ncnc2c1cnn2-c1ccc(OC)cc1 2195810 CBLCXYCHZUQIRI-UHFFFAOYSA-N 313.361 2.273 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 58332378 ARFJAJOBDMCIGZ-LBPRGKRZSA-N 324.808 2.422 0 40 DEAB COc1cc(F)c(S(=O)(=O)N2CCCCCC2)cc1OC 27931120 WXBLSFRBQJZLBP-UHFFFAOYSA-N 317.382 2.408 0 40 DEAB C[C@H](Cc1cccc(Cl)c1)NC(=O)C(=O)c1cnn(C)c1 58407103 FRRDTSMWRRMADS-SNVBAGLBSA-N 305.765 2.004 0 40 DEAB Cn1ccs/c1=N/C(=O)Cc1c(F)c(F)c(F)c(F)c1F 102417929 HSCPOZXKRZVGRK-LDADJPATSA-N 322.258 2.452 0 40 DEAB NC(=O)[C@@H]1CCCN(Cc2c[nH]nc2-c2c(F)cccc2F)C1 95430329 DTDNVKWJDUSTKF-SNVBAGLBSA-N 320.343 2.052 0 40 DEAB O=C(NCc1ccoc1)NCc1ccnc(N2CCCC2)c1 45491031 AFAHIDAJTNSFLI-UHFFFAOYSA-N 300.362 2.274 0 40 DEAB O=C(CCn1nc(-c2cccs2)oc1=O)Nc1nccs1 12858971 MQRRZPZCOBTWEL-UHFFFAOYSA-N 322.371 2.050 0 40 DEAB Cc1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)s1 48783662 JZZKCDGCVSAZDX-UHFFFAOYSA-N 309.412 2.390 0 40 DEAB O=C(O)C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 13389033 ISMHDXPZJQNEEF-JTQLQIEISA-N 319.338 2.423 0 40 DEAB O=C(CNC(=O)C1CCCCC1)N[C@H]1CCOc2ccccc21 9113808 LCTGDEBBYVZHOD-HNNXBMFYSA-N 316.401 2.323 0 40 DEAB CC1=C2C[C@@H]3[C@@H](CNCCCO)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073493 VJGNKICNSMDWIQ-GZOSKZMVSA-N 307.434 2.417 0 40 DEAB biogenic O=C(NCc1ccccc1CN1CCC[C@@H]1CO)C1CC=CC1 96007049 DUXDIXQHWMUYOB-GOSISDBHSA-N 314.429 2.226 0 40 DEAB CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C2)cn1 96005784 URRBYMQMVLLEEJ-UHFFFAOYSA-N 304.371 2.185 0 40 DEAB CCc1ccc([C@H](NC(=O)[C@H]2CCS(=O)(=O)C2)C(C)C)cc1 39522432 RPLQAVPZSCUMTA-JKSUJKDBSA-N 323.458 2.497 0 40 DEAB Cc1ccc(C(=O)NCC(=O)Nc2nc3ccccc3[nH]2)s1 9216971 LFCAGQMFVGTMCD-UHFFFAOYSA-N 314.370 2.301 0 40 DEAB CN(Cc1ccccc1)C(=O)COC(=O)c1n[nH]c2ccccc12 6370905 UMPWHFRDJUHIOX-UHFFFAOYSA-N 323.352 2.378 0 40 DEAB CC(C)CCNC(=O)CN1C(=O)[C@@H](C)N(c2ccccc2)C1=O 14170307 YQRWZXZKCBRLHN-CYBMUJFWSA-N 317.389 2.006 0 40 DEAB Cc1noc(CNC(=O)NCc2cccc(C(F)(F)F)c2)n1 66174441 SYSWXKSLGUJJNF-UHFFFAOYSA-N 314.267 2.396 0 40 DEAB COc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)cc1OC 5667245 PYLHZLTYCUHLFW-LLVKDONJSA-N 321.373 2.308 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 66807495 RGTWENVXQQXKMQ-ZLDLUXBVSA-N 323.414 2.234 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCOCC2)c(F)c1 66820297 BSMCJGVLVFDNSU-NSHDSACASA-N 308.353 2.004 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1cnns1 97379260 OZCHAQICZBBBLH-NSHDSACASA-N 303.387 2.397 0 40 DEAB Cc1cc(C)nc(NC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)c1 97378736 XPWJGPNFUIEGEJ-LBPRGKRZSA-N 304.394 2.219 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c(F)c1 96490140 BDWRYASFRHYBCX-CYBMUJFWSA-N 304.325 2.320 0 40 DEAB CN(c1ccccc1C(=O)Nc1ccccc1)S(C)(=O)=O 8091349 XUGTUAVBHWWJOX-UHFFFAOYSA-N 304.371 2.335 0 40 DEAB CCc1noc(-c2ccc(CCNC(=O)NC3CC3)cc2)n1 69224165 NCJHYLUWTOSIOC-UHFFFAOYSA-N 300.362 2.303 0 40 DEAB COCc1cccc(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c1 72704446 LIOOCXAMIRUTFV-UHFFFAOYSA-N 309.329 2.265 0 40 DEAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCCN2CCC[C@@H]2C1 69325231 IHHZUQGOKSFLHF-QZTJIDSGSA-N 313.445 2.176 0 40 DEAB COc1ccc(C)cc1NC(=O)COc1cc(C)c(C)nn1 71883982 VFDQTTISEMSHSM-UHFFFAOYSA-N 301.346 2.428 0 40 DEAB O=C(Nc1cc(-c2ccccc2F)no1)c1ccc(O)nn1 71847183 JGBAKKHOCHAKEC-UHFFFAOYSA-N 300.249 2.229 0 40 DEAB COc1ccc(-c2n[nH]cc2CNCCn2cc(C)cn2)cc1 69808260 BVZAAPSAGDQNJN-UHFFFAOYSA-N 311.389 2.380 0 40 DEAB COc1cccc(CNc2ccc(-n3ncn(C)c3=O)cc2)c1 92217193 POWMGBXKNVUZNF-UHFFFAOYSA-N 310.357 2.192 0 40 DEAB CCCc1nn([C@@H]2CCCN(c3ccccc3)C2=O)c(=O)o1 95416433 NSLCIWJPJQGXBP-CYBMUJFWSA-N 301.346 2.157 0 40 DEAB c1ccc2nc(N3CCC[C@@H](CN4CCOCC4)C3)cnc2c1 71902783 FKMALCLXJRGENJ-HNNXBMFYSA-N 312.417 2.178 0 40 DEAB c1ccc2nc(N3CCCC[C@H]3CN3CCOCC3)cnc2c1 71902738 NRGOYMSNNYNCEX-HNNXBMFYSA-N 312.417 2.321 0 40 DEAB Cc1nccn1CCN(C)C(=O)c1ccccc1[C@@H]1CCNC1 72144215 HJQMUOOYZFUABU-OAHLLOKOSA-N 312.417 2.041 0 40 DEAB NC(=O)N1CCC(NCc2ccc(F)c(C(F)(F)F)c2)CC1 95975159 LVRLUJVTGDGUHU-UHFFFAOYSA-N 319.302 2.477 0 40 DEAB CCC[C@H](C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)O 95989877 GWOIQKWVDRODJS-GXTWGEPZSA-N 307.390 2.491 0 40 DEAB CC(=O)NCCNC(=O)Nc1ccccc1N(C)C1CCCC1 89962696 NCYLOINGCOMRTQ-UHFFFAOYSA-N 318.421 2.323 0 40 DEAB Cc1n[nH]c([C@H]2CN(Cc3ccccc3OC(C)C)CCO2)n1 76048036 IMKKVLHMAYNBKY-MRXNPFEDSA-N 316.405 2.474 0 40 DEAB CCN1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1 22030733 CFOGQCULUUWTQB-MRXNPFEDSA-N 306.450 2.187 0 40 DEAB COc1ccccc1Oc1c(O)nc(-c2ncccn2)nc1O 22057714 SISDHOQLAPLOKV-UHFFFAOYSA-N 312.285 2.146 0 40 DEAB in-vitro O=S(=O)(Nc1nncn1-c1ccccc1)c1cccc(F)c1 126841938 KVQDSBUTOXODOS-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB O=C1CC[C@@H](C(=O)NC23CCC(C(F)(F)F)(CC2)CC3)N1 515029591 YEGOUMSRDHTRKE-ALXWSUNGSA-N 304.312 2.037 0 40 DEAB C[C@H]1[C@@H](N)CCN1C(=O)c1cnn(-c2ccccc2Cl)c1 516174157 SETFOESMEXTLQD-GWCFXTLKSA-N 304.781 2.087 0 40 DEAB CC[C@]1(C)CN(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CCO1 188149813 XPXUYSLMSUIKBW-YVEFUNNKSA-N 322.453 2.178 0 40 DEAB COC(=O)c1ccc(CN(C)C[C@@H]2COc3ccccc3O2)o1 32666681 PTYYOUOJZMTGOG-CYBMUJFWSA-N 317.341 2.338 0 40 DEAB Cc1oc2ccccc2c1CNC(=O)N[C@H]1CCCCNC1=O 184518498 YWMNEVJVIRFPPK-AWEZNQCLSA-N 315.373 2.209 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)N(CC(F)F)C2CC2)cc1 75415482 OMXJNQNMVNSROS-UHFFFAOYSA-N 318.345 2.352 0 40 DEAB O=C(NCc1nnc2n1CCCC2)c1ccc2ncccc2c1 75876645 VFCQPVRPVBVUKC-UHFFFAOYSA-N 307.357 2.093 0 40 DEAB CCN(Cc1ccccc1)[C@H]1CCCN(C(=O)[C@@H](N)C(C)C)C1 79415830 UXTQGLGKLAISEH-ROUUACIJSA-N 317.477 2.483 0 40 DEAB COc1ccc(-c2[nH]ncc2C(=O)NCC(C)C)cc1OC 72329257 GHSMXJWIIKRNEB-UHFFFAOYSA-N 303.362 2.480 0 40 DEAB Cc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 130774499 ZNMJGANJNSWTLG-CYBMUJFWSA-N 300.362 2.085 0 40 DEAB CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl 41096276 COEMFLMMHAIUMK-QMMMGPOBSA-N 312.218 2.351 0 40 DEAB CCOC(=O)c1cccc(NC(=S)NCCCN(C)C)c1 225402544 BPTZANOANXZJDL-UHFFFAOYSA-N 309.435 2.101 0 40 DEAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccs1 223602418 UGZPBHJLKYBFDM-KBPBESRZSA-N 319.455 2.498 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)c3cc4ccccn4c3)C2)nn1 225427725 VJAJZOTWUIGPRN-INIZCTEOSA-N 322.368 2.331 0 40 DEAB CNC(=O)CCN[C@H](c1ccccc1)c1nc2ccccc2n1C 195569184 NGVMRXCYVTUPCQ-GOSISDBHSA-N 322.412 2.388 0 40 DEAB c1cncc(CN2CCC3(CC2)COCCN3CC2CC2)c1 96048919 SSNSOZLQNOCQMJ-UHFFFAOYSA-N 301.434 2.158 0 40 DEAB COc1ccc([C@H](N)c2n[nH]c(-c3ccoc3C)n2)cc1OC 95533821 UBOIVIDIIVEAKB-AWEZNQCLSA-N 314.345 2.438 0 40 DEAB O=C(NCCCO[C@@H]1CCOC1)NC[C@H]1C[C@H]1c1ccccc1 96461957 UBTGRTZTSPYSBX-ZACQAIPSSA-N 318.417 2.285 0 40 DEAB CC(C)CN1CC[C@@]2(COCc3cnc(NCC4CC4)nc32)C1 96244109 RZEYEOOOVAKSOF-SFHVURJKSA-N 316.449 2.428 0 40 DEAB CCN(CC)Cc1cnc2n1CCN(Cc1nccs1)CC2 96196824 FQBQUGRRTWXAGN-UHFFFAOYSA-N 319.478 2.240 0 40 DEAB Cc1cnc(NC(=O)c2cc(-c3c(C)nn(C)c3C)n[nH]2)s1 95476107 ZABLCRDBAMYTAC-UHFFFAOYSA-N 316.390 2.444 0 40 DEAB CC(C)COC(=O)N1CCCN(CCN2CCCCC2)CC1 96413367 ATHHSJSKFWDXJL-UHFFFAOYSA-N 311.470 2.273 0 40 DEAB Cc1ccc(CN2CCOC[C@]3(C[C@H](CN(C)C)CO3)C2)s1 96051935 FOPSIGWHEHBWMQ-WBVHZDCISA-N 324.490 2.226 0 40 DEAB Cc1cccc(CN2CC[C@H]3C[C@H](C(=O)NC4CC4)O[C@H]3C2)c1 96043237 GOMWXRTUDCGHKE-JQHSSLGASA-N 314.429 2.253 0 40 DEAB Cn1ncc(C(=O)N2CCN(c3ccccc3F)CC2)c1Cl 96181086 RKYVNPLLOOIZHR-UHFFFAOYSA-N 322.771 2.175 0 40 DEAB c1cncc(OC[C@H]2CCOC23CN(Cc2ccncc2)C3)c1 247827803 JTEXOVLUSQATTA-MRXNPFEDSA-N 311.385 2.147 0 40 DEAB CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CCN(C2CCCC2)C1 245289775 DZTYNMMPUMOEIC-NUEKZKHPSA-N 309.454 2.260 0 40 DEAB O=C(O)c1ccccc1-c1cnc(CNc2ncccn2)nc1 257267806 MIUVKKPVTULLDZ-UHFFFAOYSA-N 307.313 2.244 0 40 DEAB COc1ccc([C@H]2CN(C(=O)c3cccnc3)CCN2C)cc1 257223785 DYVIMIPUOSFJBY-QGZVFWFLSA-N 311.385 2.219 0 40 DEAB Cn1cnc(CNC(=O)c2ccnc(Cc3ccccc3)c2)c1 257281306 OOOGAFKSHDHRSJ-UHFFFAOYSA-N 306.369 2.336 0 40 DEAB O=C(COc1ccccc1)N1CCCC[C@H]1C1CCNCC1 257247592 IZPQDYZRHFANFI-KRWDZBQOSA-N 302.418 2.446 0 40 DEAB Cc1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)s1 274724686 CZUFITWWGNOSRE-UHFFFAOYSA-N 317.414 2.218 0 40 DEAB CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cccs1)C2 585102818 IQYARDVJXJFGSW-LRDDRELGSA-N 306.431 2.469 0 40 DEAB Cc1cccc(S(=O)(=O)N2CCc3c(C(=O)O)cccc32)c1 825223247 XNPAHTRXNIKTLG-UHFFFAOYSA-N 317.366 2.445 0 40 DEAB COc1ccnc(N2CCCC[C@H]2Cn2nc(C)cc2C)n1 69920108 WPUDTORCIOUNRO-AWEZNQCLSA-N 301.394 2.358 0 40 DEAB O[C@@H](CN1CCCC[C@@H]1Cn1cncn1)c1cc(F)ccc1F 71876383 VAQZPTQSANZBQO-CJNGLKHVSA-N 322.359 2.144 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(c3ncncc3F)C2)nc1 1776000437 BVIZPEJYXAGGOJ-LBPRGKRZSA-N 303.341 2.010 0 40 DEAB CN(CCOC(=O)c1cc(Cl)[nH]c(=O)c1)c1ccccc1 96006871 SNQCEPDKDKLYDN-UHFFFAOYSA-N 306.749 2.322 0 40 DEAB CC1(CNC(=O)NCCC2(C)OCCO2)Cc2ccccc2C1 97115847 UXHYIXPARZXSOK-UHFFFAOYSA-N 318.417 2.244 0 40 DEAB O=C(COc1ccc(F)cc1)N1CC[C@H](Oc2nccs2)C1 585320243 RFVNUIWVDHYABA-ZDUSSCGKSA-N 322.361 2.341 0 40 DEAB O=C(N[C@@H]1CC[C@@H](C(=O)O)C1)c1coc(Br)c1 97231739 ZHOHDODMRMRAHQ-HTRCEHHLSA-N 302.124 2.025 0 40 DEAB O=C(NCCC[C@@H]1CCOC1)c1cc(-c2ccccn2)n[nH]1 12147406 RPEHFNKXRTUHTA-GFCCVEGCSA-N 300.362 2.018 0 40 DEAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NC1=NCCS1 12864829 XDBKVBFPZJIZSF-UHFFFAOYSA-N 305.334 2.242 0 40 DEAB O=c1c2ccccc2nc2n1CCN2CCOc1ccccc1 13551486 ASPAOKHPUSRNMP-UHFFFAOYSA-N 307.353 2.296 0 40 DEAB CC1CCN(S(=O)(=O)c2cc3ccccc3oc2=O)CC1 15828526 OQTLZGZWIXEACD-UHFFFAOYSA-N 307.371 2.214 0 40 DEAB Cc1cccc(C)c1NC(=O)CNS(=O)(=O)c1ccccc1 16085858 CLJBPKWFDUXFGW-UHFFFAOYSA-N 318.398 2.220 0 40 DEAB CCCCOC(=O)/C=C/C(=O)O[C@H](C)C(=O)OCCCC 17004595 LXPYFQGFCRRLMP-IDVQTMNDSA-N 300.351 2.161 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1cc(F)ccc1Br 169219082 PDDZCLOCARPSPP-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccncc2)C1=O 6327930 SAZGUVIPFZDYQU-YRNVUSSQSA-N 306.343 2.070 0 40 DEAB Cc1ccccc1C(=O)NCC(=O)Nc1ccccc1[C@H](C)O 155617222 OBICDNLKHAHGJD-ZDUSSCGKSA-N 312.369 2.417 0 40 DEAB Cn1cc(C(=O)N2CCS[C@H](c3cccs3)CC2)nn1 219504281 WMKFOWVFJZWHCE-LBPRGKRZSA-N 308.432 2.197 0 40 DEAB COc1ccccc1CCC(=O)N(C)Cc1nnc2ccccn12 521402342 KRDVJBGKHMKWGB-UHFFFAOYSA-N 324.384 2.329 0 40 DEAB COc1ccccc1CNC(=O)c1n[nH]cc1Br 32610858 ZRSQCSYUSKVVAC-UHFFFAOYSA-N 310.151 2.111 0 40 DEAB Cc1ccc(N2C[C@H](NC(=O)Nc3cccnc3)CC2=O)cc1 4272582 BYKUEHFLKIXMIV-CQSZACIVSA-N 310.357 2.317 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@H](C)C2=O)c(C)c1 17720124 MCJOVQLCUNBOCS-TXEJJXNPSA-N 320.414 2.121 0 40 DEAB Cc1ccc(OCC2CCN(C[C@@H]3CCCOC3)CC2)nn1 1775965531 BSFOVTIJTWALJN-INIZCTEOSA-N 305.422 2.302 0 40 DEAB COc1ncccc1C(=O)NCc1nccnc1-c1ccco1 390829988 HYVZBCOVZJMGIO-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB C[C@@](O)(CNC(=O)Cc1cccs1)c1ccc2c(c1)OCO2 75155422 JTFFHVUKGUBQBJ-MRXNPFEDSA-N 319.382 2.043 0 40 DEAB COC(=O)[C@@H](C(F)(F)F)C(F)(F)SC(C(C)=O)C(C)=O 100116006 UHBCHPAABXCBQC-ZETCQYMHSA-N 322.251 2.211 0 40 DEAB Cc1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)n1C 30988026 ALZHPGTUDNCFCX-UHFFFAOYSA-N 301.346 2.062 0 40 DEAB O=c1oc(-c2ccco2)nn1C[C@@H](O)c1ccc(Cl)cc1 40493666 VQBQOEREMBOEKC-LLVKDONJSA-N 306.705 2.483 0 40 DEAB CCCn1nc(C(=O)N2CCC[C@H](C(F)(F)F)C2)ccc1=O 40475493 IFPHOSVBZIPYHK-JTQLQIEISA-N 317.311 2.068 0 40 DEAB COC(=O)CCNC(=O)c1ccccc1Oc1cccnc1 52026458 IDRSYQNHOLMYIW-UHFFFAOYSA-N 300.314 2.167 0 40 DEAB Cn1nnc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 558136 PSZLPHVHHNXEMM-UHFFFAOYSA-N 309.329 2.041 0 40 DEAB Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1Cc1ccccn1 42025064 JJKZQRUYJXTNQQ-AWEZNQCLSA-N 313.401 2.409 0 40 DEAB Cn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1 529504 HXHPCYDLWDTLLG-UHFFFAOYSA-N 311.370 2.247 0 40 DEAB CS[C@@H](C)C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 78869010 AXGIFRUVYYIGHB-JOYOIKCWSA-N 312.822 2.313 0 40 DEAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc2c1OCO2 78898505 CHTZXUVZYVCDIJ-DOMZBBRYSA-N 316.401 2.152 0 40 DEAB CCCc1noc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)n1 78890317 OCOBLJKSTGCWIS-QWRGUYRKSA-N 304.398 2.362 0 40 DEAB Cc1nnc(-c2cccc(C(=O)OCCCn3cccn3)c2)o1 79109429 JQOMLQTVQIFVRW-UHFFFAOYSA-N 312.329 2.489 0 40 DEAB O=C(c1ccco1)N1CCCN(C(=O)c2ccco2)C1=S 1651727 HUZXVVNHWRZYPD-UHFFFAOYSA-N 304.327 2.146 0 40 DEAB CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C)n2)cc1 10253161 CWRNWIWJYSXGBR-UHFFFAOYSA-N 318.398 2.365 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)c1 25220795 LYXVAJFCVPAQBT-HOCLYGCPSA-N 300.402 2.244 0 40 DEAB O=C(CN1CCc2ccccc21)NC(=O)NCc1ccccc1 3286056 WKMCIPPVKRJHQG-UHFFFAOYSA-N 309.369 2.075 0 40 DEAB Cn1cc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)cn1 25310117 SGWVBXHXMMQLTB-UHFFFAOYSA-N 312.373 2.185 0 40 DEAB CCn1cc(C(=O)N(CCCO)[C@@H]2CCc3ccccc32)cn1 97046171 XLXSCLSDQAVNTE-QGZVFWFLSA-N 313.401 2.415 0 40 DEAB CN(Cc1cccs1)c1cc(N2CCC[C@@H]2CO)ncn1 72275993 ONJPNWJIILURHA-GFCCVEGCSA-N 304.419 2.136 0 40 DEAB COc1ccc2c(ccn2CCC(=O)NCCc2c[nH]cn2)c1 12663609 CAQOSLFDXJKOKZ-UHFFFAOYSA-N 312.373 2.122 0 40 DEAB biogenic Cn1ccnc1CN1CCC(C(=O)N2CCCCCCC2)CC1 48185400 GONPFNSWNRBPEM-UHFFFAOYSA-N 318.465 2.425 0 40 DEAB CC(=O)c1cccc(C(=O)OCC(=O)Nc2nccs2)c1 51357187 WEXNZWDOQYKLMP-UHFFFAOYSA-N 304.327 2.141 0 40 DEAB COCCN1C(=O)N[C@@](C)(c2ccccc2C(F)(F)F)C1=O 44944308 UNAGHCIOISIXNK-ZDUSSCGKSA-N 316.279 2.119 0 40 DEAB CC(C)c1noc(CCC(=O)N(C[C@H]2CCOC2)C2CC2)n1 44941327 YYBLFBHNRLZSTB-GFCCVEGCSA-N 307.394 2.153 0 40 DEAB NC(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)nc1 58357610 PLHLVIOFGLOGOE-UHFFFAOYSA-N 324.384 2.423 0 40 DEAB C[C@@H](CNc1ccc2nncn2n1)N1CCc2sccc2C1 58392607 UJOIBAQHSCRFOC-NSHDSACASA-N 314.418 2.045 0 40 DEAB Cc1ccn2cc(CNC(=O)c3cccc4c3OCCO4)nc2c1 58325485 WDYRGVZTTCQLNF-UHFFFAOYSA-N 323.352 2.344 0 40 DEAB Cc1oc(-c2cccs2)nc1CC(=O)NCCCC(=O)O 72277068 GLISEBPPPNABRF-UHFFFAOYSA-N 308.359 2.235 0 40 DEAB COC(=O)[C@@H](c1ccc(Br)cc1)N(C)C(C)=O 72290563 PSGFBZKHNHJNES-LLVKDONJSA-N 300.152 2.142 0 40 DEAB O=C1N(c2ccc(F)cc2)Cc2nc(=O)n(C3CCCC3)n21 36353807 STDIKVZWKQAOKX-UHFFFAOYSA-N 302.309 2.287 0 40 DEAB Nc1ccc(S(=O)(=O)N2CCCCC2)cc1Br 66133988 QHCKIXPQVYVHFJ-UHFFFAOYSA-N 319.224 2.206 0 40 DEAB CC1CCC(NC(=O)CCn2cnc3ccccc3c2=O)CC1 12884209 JEVRVRUPKBWRAB-UHFFFAOYSA-N 313.401 2.482 0 40 DEAB NC(=O)COc1ccc(NC(=O)N2CCCCCCC2)cc1 45700139 CJRDPVBZFOURIA-UHFFFAOYSA-N 305.378 2.349 0 40 DEAB CCOc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 3482932 FJRZOECKMBZHCG-UHFFFAOYSA-N 302.330 2.437 0 40 DEAB COC[C@@H](C)NC(=O)c1ccc(OCc2ccncc2)cc1 29753783 LTOFVABXWKMAKX-CYBMUJFWSA-N 300.358 2.425 0 40 DEAB CNC(=O)c1sc([C@@H](C)CNC(=O)c2ccccc2)nc1C 97139597 DZEAPKZKNVWRJQ-JTQLQIEISA-N 317.414 2.345 0 40 DEAB NC(=O)c1cnc(N[C@@H]2CCSc3ccc(F)cc32)cn1 97103027 FPFARAFUHHOFOT-SNVBAGLBSA-N 304.350 2.364 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)NCc2ccccn2)[C@@H]1C 13940870 IYLTVKSYFBUDOC-IIAWOOMASA-N 317.433 2.419 0 40 DEAB COc1ccc(CNC(=O)N(C)Cc2cc(C)on2)cc1O 65607511 YEUJBPGXEGDGLZ-UHFFFAOYSA-N 305.334 2.039 0 40 DEAB Cc1ccc(CN(CCO)C(=O)NC2C[C@H](C)O[C@@H](C)C2)cc1 97370735 MUEWYQXYIOOGRX-GJZGRUSLSA-N 320.433 2.455 0 40 DEAB O=C1CC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccco2)CN1 84535726 TVXYOUXJKZPCCQ-OAHLLOKOSA-N 312.369 2.335 0 40 DEAB O=C(Nc1ccncc1)c1ccc(C(=O)Nc2ccncc2)nc1 5936592 UCCMKRYGCHERNI-UHFFFAOYSA-N 319.324 2.376 0 40 DEAB COc1ccc(C)cc1C(=O)OCC(=O)Nc1cc(C)on1 7083457 SCWACMOHYDKTBT-UHFFFAOYSA-N 304.302 2.096 0 40 DEAB COC[C@H](O)CNC(=O)N[C@@H](c1ccccc1C)C(C)(C)C 80201789 YANVJUFDNUHPLC-HIFRSBDPSA-N 308.422 2.389 0 40 DEAB COc1ccccc1-n1ccnc1-c1ccc(OCC(N)=O)cc1 67803086 BRHVNFSOHJGMAN-UHFFFAOYSA-N 323.352 2.412 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 7608391 RWEAEEJKRCYUEE-CZUORRHYSA-N 318.398 2.282 0 40 DEAB Cc1ccc(CC(=O)OCC(=O)NCC(F)(F)F)cc1C 7737784 QJPLSQYASVNUSA-UHFFFAOYSA-N 303.280 2.068 0 40 DEAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H]1Cn1cccn1 71866229 QEWJEGYCANQKAN-MRXNPFEDSA-N 321.384 2.374 0 40 DEAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCN(Cc2ccco2)CC1 71835174 JPRXLTLJUQTVCN-GJZGRUSLSA-N 300.358 2.321 0 40 DEAB c1ccc(-c2cnc(CNC[C@@H]3CCc4nncn4C3)o2)cc1 71871869 OPRWQRPQWDJPKD-ZDUSSCGKSA-N 309.373 2.285 0 40 DEAB C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 70173600 JVFINNUPDNOYRK-MNOVXSKESA-N 302.827 2.088 0 40 DEAB Cc1noc([C@@H](C)N2CCN([C@@H](C)c3cccnc3)CC2)n1 69433479 XSAVRBABSRFSFT-QWHCGFSZSA-N 301.394 2.213 0 40 DEAB Cc1ccc(-c2nnc(CN3CCc4c(ncn4C)C3)o2)cc1 69487165 FYKKKBKEQWRTHG-UHFFFAOYSA-N 309.373 2.337 0 40 DEAB O=[S@](CCn1cccn1)Cc1ccc(OC(F)F)cc1 95423247 CVCRJGNNENUAOZ-FQEVSTJZSA-N 300.330 2.433 0 40 DEAB O=C(CNc1ccccc1Cl)N[C@@H]1CCN2CCCC[C@H]12 69535268 LLKUZCIYKZJUPK-HUUCEWRRSA-N 307.825 2.495 0 40 DEAB C[C@H](NCc1csc(-c2cnn(C)c2)n1)[C@@H](C)n1cccn1 69659370 DLPYLZAAXNAPSD-NWDGAFQWSA-N 316.434 2.479 0 40 DEAB CCOC(=O)c1sc2ccsc2c1CNC(=O)COC 69697095 LGNLUKWSPYMXOJ-UHFFFAOYSA-N 313.400 2.402 0 40 DEAB CCOC(=O)C1(NC(=O)CCOC(C)C)Cc2ccccc2C1 69696677 GPXOBZULIPEKST-UHFFFAOYSA-N 319.401 2.018 0 40 DEAB CCOc1ncccc1C(=O)OCC(=O)N1[C@@H](C)CCC[C@H]1C 17835845 GTMYEOQPMFQZIO-BETUJISGSA-N 320.389 2.427 0 40 DEAB CN(CC(=O)Nc1ccccc1OC(F)F)Cc1cc[nH]n1 69776897 MXSZUIKLPCKXFF-UHFFFAOYSA-N 310.304 2.082 0 40 DEAB Cc1ccccc1CN(C)C(=O)Cc1n[nH]c(=O)c2ccccc12 18081438 ONKQJLHEUZNNJJ-UHFFFAOYSA-N 321.380 2.433 0 40 DEAB Cc1nc2cc(C(=O)N3CCC[C@H]3Cn3cccn3)ccc2n1C 69809983 IEAOTKGJATWRBK-HNNXBMFYSA-N 323.400 2.383 0 40 DEAB Cc1ccc(N2CCC[C@@H](N(C)CC3(O)CCCCC3)C2)nn1 69873507 XZBQUTHHZRAEAF-MRXNPFEDSA-N 318.465 2.381 0 40 DEAB CCCC(=O)N[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69813443 YXLZCSXVBIIBKS-NYHFZMIOSA-N 322.474 2.175 0 40 DEAB CCOc1ccccc1NC(=O)[C@H](C)N1CCCN(CC)CC1 69946477 HJDAZADJPYKNMR-HNNXBMFYSA-N 319.449 2.440 0 40 DEAB CS(=O)(=O)NCCc1ccc(C(=O)Nc2ccccc2)s1 8774735 TYGBBRDLHZVFBV-UHFFFAOYSA-N 324.427 2.092 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NCCN(C(C)C)C(C)C)c1C 8745892 JPGFFHWUAGOLCD-UHFFFAOYSA-N 323.437 2.267 0 40 DEAB Cc1cc([C@H](C)NC(=O)[C@H](C)N2C(=O)CCC2=O)c(C)s1 84081809 MSCCXWOZJFBBCP-UWVGGRQHSA-N 308.403 2.080 0 40 DEAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(Cn2cncn2)cc1 73572960 SQDJETAYBKXVRD-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)c2cc3c([nH]c2=O)CCC3)on1 84124208 AWIMPAQXLHQISU-CQSZACIVSA-N 313.357 2.137 0 40 DEAB CC(C)(C)[C@@H](CO)Nc1ncnc2c1nnn2-c1ccccc1 84169133 IRKNIBQTDWXGGF-GFCCVEGCSA-N 312.377 2.029 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N[C@H]1CCC[C@H]1CO 73751562 LMDNGRPPXGPDNR-GWCFXTLKSA-N 312.797 2.309 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2ccc(F)c(F)c2)C1 95947178 XTTRVUIIDMQZIV-GWCFXTLKSA-N 310.344 2.401 0 40 DEAB Cc1cnn(-c2ccc(C(=O)NC[C@@H](C)N3CCCC3)cc2)c1 95954433 XTZJDTCDEOUJNT-OAHLLOKOSA-N 312.417 2.395 0 40 DEAB Cc1cc(CC(=O)NC[C@@H](O)c2cc3ccccc3s2)n[nH]1 89599143 FKWXXAQWGLUGNS-CYBMUJFWSA-N 315.398 2.325 0 40 DEAB OCCCCCCSc1nnc(N2CCOCC2)s1 75105230 OUDSVFCXGQSDKM-UHFFFAOYSA-N 303.453 2.020 0 40 DEAB COC(=O)c1c(C)n(C)c2ccc(OCC(=O)NC(C)C)cc12 75105119 KMYIEFZDEUWAOS-UHFFFAOYSA-N 318.373 2.177 0 40 DEAB Cc1ccc(CCNC(=O)N[C@@H](C)C[C@@H](O)c2ccco2)cn1 89652219 REBZXZJIXFDGIJ-DZGCQCFKSA-N 317.389 2.337 0 40 DEAB CCC[C@@]1(CO)CCCN1C(=O)c1nn(C)c2ccccc12 75874483 CDSQYMKFLXEGBG-KRWDZBQOSA-N 301.390 2.341 0 40 DEAB CCN1CCc2ncnc(N(C)Cc3csc(C)n3)c2C1 65519938 AZFMKAJRDSKLCF-UHFFFAOYSA-N 303.435 2.256 0 40 DEAB O=C(Cc1ccccc1)NCc1ccc(CN2CCOCC2)cc1 29882015 NPCCPLLJLPGMHH-UHFFFAOYSA-N 324.424 2.378 0 40 DEAB CCCC(=O)c1cn(CC(=O)NCCOC)c2ccccc12 33729022 WVEWOIJLFUEOJC-UHFFFAOYSA-N 302.374 2.387 0 40 DEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1 72849916 KJSAIAVIDVDHPZ-CYBMUJFWSA-N 317.433 2.495 0 40 DEAB COC(=O)c1cc(Br)ccc1N1CCOCC1 39951702 DBJNZTNIRZHOJQ-UHFFFAOYSA-N 300.152 2.072 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N2CC[C@H](C)C[C@@H]2C)c1 77585741 CIRVORKWEYCXPB-KBPBESRZSA-N 317.433 2.419 0 40 DEAB CCC(=O)N1CC[C@@H](NC(=O)c2coc3ccc(F)cc23)C1 563163554 FGMVQQFGLRAFCW-LLVKDONJSA-N 304.321 2.313 0 40 DEAB O=C(OCc1ccccc1)N1CC[C@H](CN(CCO)C2CC2)C1 79391739 IZQTWAMKAINWEL-MRXNPFEDSA-N 318.417 2.102 0 40 DEAB Brc1ccc(-c2nc([C@@H]3COCCN3)no2)cc1 135922719 CEPOQJBSPQSGBC-JTQLQIEISA-N 310.151 2.160 0 40 DEAB C[C@H]1CN(C(=O)Cc2cnn(C)c2)c2cc(Cl)ccc2O1 81336374 TZFUIBBFGCNIGK-JTQLQIEISA-N 305.765 2.430 0 40 DEAB O=C1CC[C@@H](C(=O)N2CCC(n3ccnc3)CC2)n2cccc21 329825897 CCNKYIFHMSUJAW-HNNXBMFYSA-N 312.373 2.066 0 40 DEAB O=C(O)[C@@H]1CCCCN1C(=O)c1csc(-c2ccoc2)n1 136533676 MJHNBNVQPINTLZ-NSHDSACASA-N 306.343 2.482 0 40 DEAB CC1(C)COc2ccc(C(=O)NC[C@@H]3CCCO3)cc2OC1 225358557 RIFNCDVJHNAQFH-ZDUSSCGKSA-N 305.374 2.393 0 40 DEAB COC(=O)Cc1cccc(N[C@@H]2CCCN(C(C)C)C2=O)c1 192511853 SZGIIZHEVMSPTB-OAHLLOKOSA-N 304.390 2.213 0 40 DEAB O=C([C@@H]1CC=CCC1)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 96104268 UKNADMZHFFQADC-GFCCVEGCSA-N 323.389 2.167 0 40 DEAB CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1ccncc1 96201012 WSPIDHGHEFANHR-SJORKVTESA-N 316.449 2.281 0 40 DEAB Cc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)cc1 96043160 OPYWWESFLLSLCI-BBWFWOEESA-N 302.418 2.063 0 40 DEAB COc1c(Br)c(C(=O)O)nn1Cc1ccccc1 96510748 FHGMVZIIOLSUSP-UHFFFAOYSA-N 311.135 2.401 0 40 DEAB O=C(Nc1cccc(F)c1)N1CCC[C@H](Cn2cncn2)C1 96496881 MXPVKPRLGNMTSB-LBPRGKRZSA-N 303.341 2.361 0 40 DEAB CC(C)(C)CN1C[C@H]2CN(S(=O)(=O)c3ccccc3)C[C@H]2C1 96080853 CGUJTFVVHLJKPS-GASCZTMLSA-N 322.474 2.285 0 40 DEAB CCN(C)c1ncnc2c1CCN(Cc1c(C)noc1C)CC2 96058792 UUUSWGPSBRWHGO-UHFFFAOYSA-N 315.421 2.138 0 40 DEAB Cc1cc(CN2CC[C@H]3[C@H]2CCN3Cc2cnn(C)c2)oc1C 96184628 KIKDPQLBLKFSNG-ZWKOTPCHSA-N 314.433 2.479 0 40 DEAB COc1cccc(CN2CC[C@@]3(C[C@H](N(C)C)CCO3)C2)c1 96207289 TXHXKLQHLOZNAU-SJLPKXTDSA-N 304.434 2.380 0 40 DEAB COc1c(CNC(=O)CCc2cccc(F)c2)c(C)nn1C 96500963 OIDBCGCMFLUUMB-UHFFFAOYSA-N 305.353 2.125 0 40 DEAB CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCN(c2cc(C)nn2C)C1=O 249082392 LUOYSSKHSNQDMG-IMJJTQAJSA-N 316.449 2.416 0 40 DEAB C[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccn(C)c1=O 253471827 FXCXIUNYLJAVNZ-GFCCVEGCSA-N 310.353 2.493 0 40 DEAB CN1C[C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCN2C(C)(C)C1 253396103 DBGLZBQRTMCMQR-OAHLLOKOSA-N 321.852 2.190 0 40 DEAB biogenic,in-vitro CNc1cc(C)nc([C@@H]2COCCN2Cc2ccsc2)n1 257335027 YIJOYOBOWGIVBB-ZDUSSCGKSA-N 304.419 2.462 0 40 DEAB C[C@H]1c2nc(C(=O)NC3CCCC3)cn2CCN1C1CCC1 253591801 QQVOJQZMMRAQSV-LBPRGKRZSA-N 302.422 2.485 0 40 DEAB CO[C@H]1C[C@@H]2CN(C(=O)c3ccnc(N4CCCC4)c3)C[C@@H]2C1 257322573 WGNLURQGOPIAAD-ZSHCYNCHSA-N 315.417 2.179 0 40 DEAB O=C(Nc1cc2n(n1)CCCC2)N[C@@H]1COc2ccccc2C1 287288896 IPPQYCOUDFRCBY-ZDUSSCGKSA-N 312.373 2.345 0 40 DEAB Cc1n[nH]cc1CN1CCC[C@@](O)(COc2ccc(F)cc2)C1 585273727 DRAWRIZRPRFLPR-KRWDZBQOSA-N 319.380 2.263 0 40 DEAB CC(=O)N1C[C@H](COCC2CC2)C2(CCN(C(C)C)CC2)C1 585102730 CASOZRDOKOLGEO-QGZVFWFLSA-N 308.466 2.382 0 40 DEAB C[C@H](Oc1cccnc1)C(=O)N1CCC(c2ccncn2)CC1 1548459999 XLBBSAQMIATRDP-ZDUSSCGKSA-N 312.373 2.045 0 40 DEAB CN1CCC(NC(=O)c2ccc(-n3cccc3)c(F)c2)CC1 71856763 NPGNZYHGCOOZKF-UHFFFAOYSA-N 301.365 2.440 0 40 DEAB CCc1csc([C@H]2CCCN(C(=O)[C@@H](C)n3cncn3)C2)n1 72282239 QFJRVCRJYKWYLS-NEPJUHHUSA-N 319.434 2.264 0 40 DEAB Cc1cc(C(=O)N2CCC[C@@H](COc3ccncc3)C2)n(C)n1 1776001160 BNAYBBYIUSNPOI-CQSZACIVSA-N 314.389 2.055 0 40 DEAB COCC(=O)NCc1cc(Br)ccc1OC(F)F 58393164 NVRARIFJZXGXMQ-UHFFFAOYSA-N 324.121 2.313 0 40 DEAB Cc1cc(C(=O)NCc2ccc(OC[C@@H]3CCCO3)cc2)[nH]n1 54780396 DKMWGNQFIAAXGW-HNNXBMFYSA-N 315.373 2.206 0 40 DEAB Cc1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 40510445 DIDMLLDRERMRON-GFCCVEGCSA-N 315.398 2.121 0 40 DEAB COc1cc(Br)cc(NC(=O)N2CC[C@@H](O)C2)c1 97085236 WXKQJUZLQOTUNI-SNVBAGLBSA-N 315.167 2.056 0 40 DEAB O=C(NCCCN1CCN(c2ccccc2)CC1)c1ccco1 11853318 JHZKLOMEMQUTHE-UHFFFAOYSA-N 313.401 2.222 0 40 DEAB CCC(CC)C(=O)N[C@@H](C)c1cc(=O)[nH]c(-c2cccnc2)n1 19500242 MQKXQHGCUPWWGI-NSHDSACASA-N 314.389 2.445 0 40 DEAB O=C(C1CC1)N1CCC[C@H](c2cc(C(F)F)n3ncnc3n2)C1 13265640 OWDQQQOCECOSEQ-JTQLQIEISA-N 321.331 2.178 0 40 DEAB O=S(=O)(NC1CCNCC1)c1c(Cl)cccc1Cl 36286264 FYWPBLZGPIWMLI-UHFFFAOYSA-N 309.218 2.024 0 40 DEAB CC[C@H](C(=O)NC[C@@]1(OCCO)CCSC1)c1ccccc1 1565519916 TXGDAIVWRVAMDA-RDJZCZTQSA-N 323.458 2.181 0 40 DEAB COC(=O)[C@@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C 4264118 DVTXLIKDRCDRCP-ZZTKBFGJSA-N 308.422 2.452 0 40 DEAB Cc1ccccc1CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 101167572 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JQYCVIQDKPPICQ-GTKVBAFNSA-N 305.374 2.019 0 40 DEAB CC1=CC(=C2C(=O)NC(=O)NC2=O)C=C(C)N1c1ccc(C)cc1 10274594 OKINQATWBUCBRM-UHFFFAOYSA-N 323.352 2.285 0 40 DEAB O=C(NCC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1cccs1 10288677 KZPNHLWBHVCVMU-SECBINFHSA-N 320.336 2.279 0 40 DEAB O=C(NCc1cnn(Cc2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1O2 107050121 RAPJXDGUNIVGLX-IXDOHACOSA-N 311.385 2.115 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N[C@@H]1C[C@@H]1c1c(F)cccc1F 108105782 POQAFXGVAMUGLK-NWINYUPESA-N 308.328 2.440 0 40 DEAB O=C(O)CCCCCNS(=O)(=O)c1ccc(F)c(Cl)c1 1795932 KSCDVQPHMGEIGX-UHFFFAOYSA-N 323.773 2.402 0 40 DEAB COC(=O)COC(=O)COc1ccccc1Cc1ccccc1 57465632 GETUPXITBRUTCY-UHFFFAOYSA-N 314.337 2.372 0 40 DEAB Cc1cc2nc(NCCNC(=O)C3CC3)c3ccccc3n2n1 26761641 MHHFLUPNTZVYDU-UHFFFAOYSA-N 309.373 2.129 0 40 DEAB CCCCOC(=O)c1ccc(Nc2nc(=O)[nH]nc2C)cc1 1810519 MBQFWILNBRXARY-UHFFFAOYSA-N 302.334 2.174 0 40 DEAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)n1cncn1 27580813 UVEOSDGOYYKBBF-QMMMGPOBSA-N 300.240 2.376 0 40 DEAB 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C[C@@H](C(=O)NC(=O)NC1CCCC1)N(C)Cc1cccc(F)c1 8707103 MPWDCLBBUJMLTE-LBPRGKRZSA-N 321.396 2.414 0 40 DEAB CCc1nn(C)cc1C(=O)N1CCN(C)c2cc(F)ccc21 92485016 JZGPLPWYTOJLJK-UHFFFAOYSA-N 302.353 2.218 0 40 DEAB Cc1nc(C)c(CNC[C@@H]2CCO[C@@H]2c2cnn(C)c2)s1 84062484 YANQFUQRWPRJHI-WFASDCNBSA-N 306.435 2.361 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cc[nH]c1C)c1ccc(F)cc1F 95446420 CIJXKIIZXSZKQG-ZDUSSCGKSA-N 308.284 2.245 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@H]1c1ccc(F)cc1F 72281599 DZLIGCYFLRBNCF-XBFCOCLRSA-N 317.339 2.396 0 40 DEAB CN(C)[C@H]1CCCN(C(=O)N[C@@H](c2nccs2)C2CC2)C1 74709571 WKRYOTDYUZXRSC-QWHCGFSZSA-N 308.451 2.330 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc(C)[nH]c1=O 75118943 YXHXYGJRKGCVNM-LBPRGKRZSA-N 300.358 2.491 0 40 DEAB CCNC(=O)N1CCc2ccc(NC(=O)NCC3CC3)cc21 75146048 XMKRQWMNFQTEPE-UHFFFAOYSA-N 302.378 2.310 0 40 DEAB CC(C)OCCC(=O)Nc1ccc(CN2CCOCC2)cc1 89887821 QYSWEQVYXRAHSX-UHFFFAOYSA-N 306.406 2.272 0 40 DEAB NC(=O)c1nc(Cl)ccc1NC(=O)CCc1ccccc1 89830444 NNPQFEOIMKFCCY-UHFFFAOYSA-N 303.749 2.405 0 40 DEAB CCN(C[C@@H]1CCCN1CC(=O)O)C(=O)OCc1ccccc1 79413750 FSDOVJOGCGHXSZ-HNNXBMFYSA-N 320.389 2.194 0 40 DEAB Cc1cc(C(=O)N2CC[C@@](O)(Cc3ccc(F)cc3)C2)ns1 519539432 NAUSWTZTTJPPJJ-MRXNPFEDSA-N 320.389 2.410 0 40 DEAB CC1(C)NC(=O)N(Cc2ccc(Br)cc2F)C1=O 39583854 GROMLXICFYFFLD-UHFFFAOYSA-N 315.142 2.419 0 40 DEAB CN(CCO)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 79391652 JBNIHBYFFMHBSP-INIZCTEOSA-N 306.406 2.102 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@H]12)N[C@@H]1CCOc2ccccc21 43166052 RJZBYQMCWDKPTP-OWCLPIDISA-N 315.417 2.436 0 40 DEAB CCc1cc(NC(=O)[C@H]2COc3cc(OC)ccc3C2)[nH]n1 79323249 HUJTWRAHPZUDQA-LLVKDONJSA-N 301.346 2.171 0 40 DEAB CC[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1F 181009694 AYRHKZKDWYZCDU-IUODEOHRSA-N 314.426 2.290 0 40 DEAB Cc1cc(NS(=O)(=O)c2cc(F)ccc2Cl)n(C)n1 78556689 BLJSLJBWHSZILX-UHFFFAOYSA-N 303.746 2.322 0 40 DEAB CC(C)(C)NC(=O)CN1C(=O)C(c2ccc(F)cc2)=NC1(C)C 71769058 HKWOJYKYDAOUGK-UHFFFAOYSA-N 319.380 2.108 0 40 DEAB 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2.380 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 224398384 VGRUGTSHQKHRQA-SECBINFHSA-N 316.448 2.444 0 40 DEAB C[C@H](c1ccccc1)[C@@H](CO)NS(=O)(=O)c1cccs1 96483512 KPSZKDQEZCQQEY-DGCLKSJQSA-N 311.428 2.191 0 40 DEAB O=C(CCCn1ccnc1)NC[C@]1(O)CCCc2ccccc21 96421708 SHOUFUAIBSRMKA-GOSISDBHSA-N 313.401 2.004 0 40 DEAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2cnccn2)C1 96409341 BDIZGBZEGVXLQY-CQSZACIVSA-N 314.364 2.323 0 40 DEAB C[C@@H](CCNC(=O)N1CCS(=O)(=O)C[C@@H]1C)c1ccccc1 96417695 VUMKYWDDDYFURK-KBPBESRZSA-N 324.446 2.009 0 40 DEAB O=C(Cc1ccccc1O)N[C@H]1CCN(CC2CCCC2)C1 96441089 DLALYCCPAGHDBG-INIZCTEOSA-N 302.418 2.315 0 40 DEAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1ccncc1)C2 96060246 MGEKSRFGFALTIG-INIZCTEOSA-N 312.417 2.341 0 40 DEAB c1ccc2c(c1)CCCN2CCN1CCC(c2nnc[nH]2)CC1 90552056 QTOYKWUCZWDBNN-UHFFFAOYSA-N 311.433 2.437 0 40 DEAB COCCN1CC[C@@]2(CCCN(Cc3ccc(F)cc3)C2)C1=O 96224039 UXOIHGHIALBEED-GOSISDBHSA-N 320.408 2.287 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccc(F)cc1)C2 96039084 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NWFXYSUWBZRLME-AWEZNQCLSA-N 317.414 2.327 0 40 DEAB NC(=O)[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 26224409 ZPVZXMSWZURCKS-QGZVFWFLSA-N 309.369 2.452 0 40 DEAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)Cc2cncnc2)C1 278964256 WXQBOJGAZINFPZ-CQSZACIVSA-N 304.438 2.036 0 40 DEAB CCc1ncnc(N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1F 271125827 TWHTUUAODQUHSC-AWEZNQCLSA-N 316.380 2.290 0 40 DEAB O=C(NCc1cn(-c2ccsc2)nn1)OCc1cccnc1 575618207 KAEUDWYNCFWXBJ-UHFFFAOYSA-N 315.358 2.150 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C)Oc3cc(F)c(F)cc32)ncn1 906232628 MBKLHWGZWCTZER-VIFPVBQESA-N 305.284 2.491 0 40 DEAB COCCN1C[C@H]2C[C@H]1C[C@H]2NC(=O)c1cc(C)cc(C)c1 585110267 YZAMJIXDNPJKMP-IXDOHACOSA-N 302.418 2.142 0 40 DEAB CN1CC2(CCC1=O)CCN(C(=O)c1cccc(F)c1)CC2 585102139 AJEXZDTWUOETLI-UHFFFAOYSA-N 304.365 2.300 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)/C=C/c1cccc2cccnc12 71830156 JETVMDJMYWHNCT-IJAHNMCUSA-N 323.396 2.360 0 40 DEAB COC[C@@H](C)N(C)C(=O)c1cc(-c2ccccc2OC)on1 44973322 QSBCELLQGSVOGI-LLVKDONJSA-N 304.346 2.457 0 40 DEAB CCc1cnc(N2CCC[C@@H](COc3ncc(C)cn3)C2)nc1 1776001060 XKBQMDNUJSRARC-OAHLLOKOSA-N 313.405 2.433 0 40 DEAB Cn1ccc(CN2CCCN(Cc3cccs3)CC2)cc1=O 51537717 FMYZYDAXIJAZMI-UHFFFAOYSA-N 317.458 2.155 0 40 DEAB CCn1cc(NC(=O)C(=O)c2ccc(Br)cc2)cn1 74504231 KYQPCAXLUVFCKK-UHFFFAOYSA-N 322.162 2.487 0 40 DEAB CN(C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCO1 57419388 CKVSHCRKPPCZMK-OAHLLOKOSA-N 323.412 2.078 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@@H]1NCCC[C@@H]1CCCC[C@@H]1O 97033424 BTVGVFKDVMJOPR-YHUYYLMFSA-N 317.495 2.263 0 40 DEAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1COCCN1 88357913 STKDMIZBLYJJJJ-JTQLQIEISA-N 308.687 2.286 0 40 DEAB O=C(O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 13340309 XFJHFJZYIFCWGW-UHFFFAOYSA-N 309.318 2.002 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c(OC)c1 13946984 NHKAJFZMGQCRKD-VXGBXAGGSA-N 313.419 2.370 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2)c1 16597930 VWMQDAPQZOFCFX-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB COc1ccc([C@H]2CN(c3ccnc(C)n3)[C@@H]3CCNC[C@H]23)cc1 1848357023 LZCSMPKXTZXPSS-KZNAEPCWSA-N 324.428 2.376 0 40 DEAB O=C(CC1CCCC1)NC[C@H](O)c1ccc2c(c1)OCCO2 390826541 AGHGPMYHJXYVSW-AWEZNQCLSA-N 305.374 2.188 0 40 DEAB CCOc1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11546237 BEAQRKWMPJTMTR-UHFFFAOYSA-N 310.357 2.101 0 40 DEAB CCn1ncc(Br)c1C(=O)Nc1nnc(C)s1 28227955 MMCLLEGLRZBOLX-UHFFFAOYSA-N 316.184 2.078 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1)CC(=O)N2 9572795 XNVWHTMVZRPWTN-UHFFFAOYSA-N 320.345 2.430 0 40 DEAB CC(C)(C)C(=O)N1CCO[C@H]2CC[C@H]1[C@H]2Oc1ncccc1F 2055746163 SJYMZGDPXZNOCL-MELADBBJSA-N 322.380 2.404 0 40 DEAB Cc1nc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)cs1 2055731731 PFBZAVAGOROGAL-UHFFFAOYSA-N 314.414 2.360 0 40 DEAB C[C@@H]1C[C@H]1C(=O)NCCC(=O)Nc1cccc(OC(F)F)c1 40541009 BWUIJAJTJCPOBG-BXKDBHETSA-N 312.316 2.389 0 40 DEAB COc1ccc2oc(C(=O)N[C@H]3CCCCNC3=O)c(C)c2c1 40521190 ZXWSIBOLMZFRLN-ZDUSSCGKSA-N 316.357 2.148 0 40 DEAB COc1ccc(S(=O)(=O)N[C@H](C)c2cccnc2)cc1F 30323852 AOOJXISCFWOJGJ-SNVBAGLBSA-N 310.350 2.269 0 40 DEAB CC(C)(C)c1noc(CCCC(=O)NCc2ccccn2)n1 31212068 SABVSPQKBIXERY-UHFFFAOYSA-N 302.378 2.401 0 40 DEAB CC(C)C[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)N(C)C 40536263 BDMNDQVHHYBVMZ-INIZCTEOSA-N 315.417 2.330 0 40 DEAB C[C@H]1CN(C(=O)CCCc2nc(C(C)(C)C)no2)C[C@H](C)O1 40516056 XVRBHELWGUGLPJ-RYUDHWBXSA-N 309.410 2.326 0 40 DEAB CN(C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O)c1ccccc1 32642809 LMPSZDUMQULKFE-MNOVXSKESA-N 300.280 2.107 0 40 DEAB Cc1cccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1 41007257 NDHMXXMXPJUGQL-UHFFFAOYSA-N 317.410 2.340 0 40 DEAB O=C1NCCN1C1CCN(Cc2ccc(F)cc2Cl)CC1 52214896 NQCUCTUAGYJTKB-UHFFFAOYSA-N 311.788 2.469 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 41128179 TXVREYVSCWHXCJ-CQSZACIVSA-N 310.353 2.426 0 40 DEAB COc1cccc(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 567128 SSANSAFFRDEZNI-UHFFFAOYSA-N 320.370 2.319 0 40 DEAB Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccco2)c1 410655 JBXHPPDRGUDHGW-UHFFFAOYSA-N 314.370 2.413 0 40 DEAB CC1=NN(S(=O)(=O)c2ccc(C)cc2)[C@@](O)(C(F)(F)F)C1 479258 ZJRQKCXAEUXDPY-NSHDSACASA-N 322.308 2.016 0 40 DEAB COC[C@@H](C)NC(=O)Nc1ccccc1CN1CCSCC1 61789553 HMZIHYYNGLDOIY-CYBMUJFWSA-N 323.462 2.392 0 40 DEAB CC1CCN(CCN(C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 79094844 CASVBXJGVILUFT-GOSISDBHSA-N 315.461 2.456 0 40 DEAB CCN(CC)CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1F 79311067 TZQQLHZCUJIOKR-LLVKDONJSA-N 312.385 2.362 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C)n(C(F)F)n2)C1 2733106 FZMXVXJKGOIACE-JTQLQIEISA-N 315.320 2.002 0 40 DEAB COc1ccccc1[C@@H](C)NS(=O)(=O)N1CCC[C@H](C)C1 105635316 RLGODUQASAZRGJ-QWHCGFSZSA-N 312.435 2.323 0 40 DEAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H]1CCC[C@H](C)[C@H]1C 106637171 XPORAAVKRUWUQU-JJRVBVJISA-N 320.481 2.479 0 40 DEAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)Cn2cncn2)cc1 55692049 LKRGFVKKRQVEOA-CQSZACIVSA-N 316.405 2.203 0 40 DEAB CC[C@@H]1CN(CCOc2ccc(C)cc2)CCN1C[C@H](C)O 106906642 APCWNYMKOGNEBH-DLBZAZTESA-N 306.450 2.151 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)o1 107697880 UBBRAVODIODOOT-UHFFFAOYSA-N 315.391 2.457 0 40 DEAB COc1cc(NC(=O)Cc2c(C)noc2C)ccc1NC(C)=O 44772041 GCGNPWHJLZABDD-UHFFFAOYSA-N 317.345 2.440 0 40 DEAB CC[C@@](C)(O)CNC(=O)Nc1ccc2c(C)cc(=O)oc2c1 58247966 UBTSKYASBVSQCA-MRXNPFEDSA-N 304.346 2.384 0 40 DEAB Cc1nc2ccc(C(=O)NCCCn3cccn3)cc2nc1C 44911056 BYTFVJFLTZJKFS-UHFFFAOYSA-N 309.373 2.263 0 40 DEAB CS[C@H](C)C(=O)Nc1cnn(Cc2cn3ccccc3n2)c1 58394022 DWBUKPYEVJBUOZ-LLVKDONJSA-N 315.402 2.269 0 40 DEAB O=C(Nc1ccn(Cc2ccccn2)n1)[C@@H]1Cc2ccccc2O1 58379744 OTLPNYPVHHLJGL-INIZCTEOSA-N 320.352 2.269 0 40 DEAB O=C(CCSc1ccc(F)cc1)NCc1nnc2n1CCC2 58300029 CCDXRTVVVDGRAO-UHFFFAOYSA-N 320.393 2.162 0 40 DEAB COC(=O)c1ccc(/C=C/C(=O)OCC(=O)c2ccc[nH]2)cc1 3367359 TVIGPCLZIMTNBY-RMKNXTFCSA-N 313.309 2.241 0 40 DEAB Cc1cc(C(=O)/N=c2/sc3cc(F)ccc3n2C)n(C)n1 101025620 KZSYSSXWWXTWAX-JQIJEIRASA-N 304.350 2.162 0 40 DEAB COc1ccc(C(=O)N[C@H](C)c2nnc3ccccn23)cc1F 48374317 HYKFOBDWTMBJMC-SNVBAGLBSA-N 314.320 2.368 0 40 DEAB O=C(O)CCn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O 57352145 SYEWOTPVDVRTFS-UHFFFAOYSA-N 317.732 2.291 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NCc1cccnc1N(C)C 46287379 CVWLLUMAEHNFLT-UHFFFAOYSA-N 317.393 2.094 0 40 DEAB CCC(CC)NC(=O)[C@H]1CN(C(=O)C2CC2)c2ccccc2O1 60337386 PLSWDALZQARUIE-MRXNPFEDSA-N 316.401 2.495 0 40 DEAB C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN2CCC[C@@H]2C1 28227228 IJCLQIGYTURSIS-TZMCWYRMSA-N 308.809 2.414 0 40 DEAB COc1ccc(NC(=O)Cn2nnc(-c3ccccc3)n2)c(C)c1 2788184 RDBXDPPKJABPPN-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB C[C@@H](Sc1nccn1C)C(=O)c1ccc2c(c1)NC(=O)CO2 23774206 KCVCSYWHQHIMTC-SECBINFHSA-N 317.370 2.115 0 40 DEAB NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 13071846 DISCCHGCAPDMFZ-UHFFFAOYSA-N 316.382 2.075 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@H]1C(=O)O 4082248 GYHAWRDFSMFCKS-YPMHNXCESA-N 323.370 2.137 0 40 DEAB biogenic CC(C)n1cc(S(=O)(=O)N2CCC(n3cccc3)CC2)cn1 84633200 IRICLQUUXMZVBQ-UHFFFAOYSA-N 322.434 2.291 0 40 DEAB O=C(C1CCC1)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 96005108 FNJHKAVHWSWWRJ-HNNXBMFYSA-N 322.430 2.219 0 40 DEAB Cc1noc([C@H]2CCCN(Cc3nc(C(C)(C)C)no3)C2)n1 65474666 PYNIIGCZEQYBBE-NSHDSACASA-N 305.382 2.438 0 40 DEAB Cc1cc(C(=O)NCCN2c3ccccc3CC[C@@H]2C)n(C)n1 65433895 UTHJFLSHRYIVKO-AWEZNQCLSA-N 312.417 2.300 0 40 DEAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1CCN(C)CC1 22030769 HDSXDWIYKQEUAP-CVEARBPZSA-N 306.450 2.187 0 40 DEAB CCCNC(=O)NC(=O)CNc1ccc(C(F)(F)F)cc1 15291565 VKKQCMQMWVSNPZ-UHFFFAOYSA-N 303.284 2.353 0 40 DEAB COCCOCC(=O)Nc1ccc(F)c(Br)c1 96432194 QBVJNXBKKHBMQI-UHFFFAOYSA-N 306.131 2.190 0 40 DEAB CCNC(=O)N1CCN(C(=O)c2ccc(C)c(Cl)c2)CC1 68239498 KPUQLHBXRXTALX-UHFFFAOYSA-N 309.797 2.136 0 40 DEAB CCc1nc(CN2Cc3ccccc3C[C@H]2C(N)=O)cs1 96402871 AGPTVJKVOSRURB-AWEZNQCLSA-N 301.415 2.118 0 40 DEAB Cc1noc(C)c1CC(=O)N(C)Cc1ccc2c(c1)OCO2 8132402 UCYURRPVHGNEBS-UHFFFAOYSA-N 302.330 2.221 0 40 DEAB CNC(=O)[C@H](C)CN(C)C(=O)Nc1ncc(C(C)(C)C)s1 81637061 HLWTZISLCYPIIU-SECBINFHSA-N 312.439 2.286 0 40 DEAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc3[nH]nnc3c2)c1 71865797 VVHRIJDSSQYBCW-CQSZACIVSA-N 324.388 2.158 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CCc1ccc(Cl)s1 71829517 PQVQFNZDXJVNFH-VHSXEESVSA-N 314.838 2.447 0 40 DEAB O=C(Nc1ncccn1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8263155 RFNUVHSKLDCYHK-SNVBAGLBSA-N 316.748 2.122 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)c2cc3cc(C)ccc3o2)CC1 70008089 RNJJNFADFTYVOP-OAHLLOKOSA-N 316.401 2.270 0 40 DEAB CCC(=O)N[C@@H]1CCCN([C@H](C(=O)OC)c2ccc(F)cc2)C1 69445086 BJYAQDALGZCSKL-ZBFHGGJFSA-N 322.380 2.030 0 40 DEAB O=C(CCn1ccnn1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69537209 VRSJEASVHFIVFS-DGCLKSJQSA-N 324.306 2.359 0 40 DEAB O=C(/C=C/c1ccsc1)NCC(=O)N1CCc2ccccc21 69568029 WQDDVLGHWYKDRG-AATRIKPKSA-N 312.394 2.467 0 40 DEAB CONC(=O)NCCCc1ccc(Br)cc1F 71909552 CFXAWNCVMXENEU-UHFFFAOYSA-N 305.147 2.381 0 40 DEAB CN(C)C[C@@H]1CN(Cc2csc(Br)c2)CCO1 69818888 MEWRWFXYTALVDD-LLVKDONJSA-N 319.268 2.273 0 40 DEAB NC(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1 9742713 OADASUHIXFHTLU-UHFFFAOYSA-N 318.421 2.454 0 40 DEAB CNC(=O)NCC(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C 97081998 CVMUASGBQDNLSD-CYBMUJFWSA-N 315.776 2.221 0 40 DEAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cn1 72330188 BLWSNBZVHBLRJH-UHFFFAOYSA-N 313.357 2.252 0 40 DEAB Cc1nnc(CCCN2CCC[C@H]2CNC(=O)OC(C)(C)C)o1 89736317 NWQSEQWKNCPSPC-ZDUSSCGKSA-N 324.425 2.300 0 40 DEAB COCc1ccccc1NC(=O)N1CC[S@](=O)C(C)(C)C1 89919636 MBDIJBUNJDMEMF-OAQYLSRUSA-N 310.419 2.208 0 40 DEAB CC(C)CCC(=O)NC(=S)NCc1ccc(C(=O)O)cc1 20151338 WQFXQZCRKOWJRN-UHFFFAOYSA-N 308.403 2.312 0 40 DEAB COc1ccc2c(c1)CN(C(=O)N[C@@H]1Cc3ccccc3[C@H]1N)C2 1551506330 PBDZDDACIOECHH-QZTJIDSGSA-N 323.396 2.345 0 40 DEAB COCC(=O)Nc1nc2ccccc2n1CCN1CCCCC1 32502515 XWFOHLOWCAFYSS-UHFFFAOYSA-N 316.405 2.107 0 40 DEAB FC(F)(F)c1nnc2sc(-c3cc(C4CC4)n[nH]3)nn12 61719699 VWFFACODRDMDGK-UHFFFAOYSA-N 300.269 2.472 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 32639793 FUSBUXWXJJABIO-GXTWGEPZSA-N 324.471 2.398 0 40 DEAB Cc1cc(C(=O)NCCCn2nccc2C)c2c(C)noc2n1 36613965 FONGCRYWVYOCJF-UHFFFAOYSA-N 313.361 2.165 0 40 DEAB O=C(NC[C@H]1Cc2ccccc21)[C@@H]1CCCN(C(=O)C2CC2)C1 79333651 BYLYUVAEPBXUSE-HZPDHXFCSA-N 312.413 2.091 0 40 DEAB COc1ccccc1OCCNS(=O)(=O)Cc1ccccc1 46760781 XJLMPMAHVBDEAI-UHFFFAOYSA-N 321.398 2.194 0 40 DEAB CCOC1CC(CCNC(=O)[C@@H]2NCC[C@H]3CCCC[C@H]32)C1 1578084467 LXONYACSMXKKQO-GLUHHBOGSA-N 308.466 2.476 0 40 DEAB Cc1cnc(NC(=O)COc2cccc3c2NC(=O)CC3)s1 227150555 MNIODQRRFIDCKK-UHFFFAOYSA-N 317.370 2.354 0 40 DEAB COC(=O)[C@H](c1ccccc1F)N1CC[C@@H](N2CCCC2)C1 195531722 QYLZGMZFXOTLLI-CJNGLKHVSA-N 306.381 2.210 0 40 DEAB COC[C@H]1CN(Cc2ccco2)Cc2nnn(CC3CC3)c21 96060877 CSEAIXMDQPDBFQ-CYBMUJFWSA-N 302.378 2.027 0 40 DEAB C[C@@H](COCC(F)(F)F)NC(=O)N1CCS[C@@H](C)[C@H]1C 96411428 IXJHMCNIBJYQEY-AEJSXWLSSA-N 314.373 2.489 0 40 DEAB CO[C@@H]1CCN(C2CCC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96208920 CQSHAZBSLGEMQT-RCCFBDPRSA-N 301.434 2.155 0 40 DEAB COc1ccsc1C(=O)N1CCOC[C@H]1c1cccn1C 97379410 IHQPASAQMFTOJQ-LBPRGKRZSA-N 306.387 2.309 0 40 DEAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccncc1F)C2 96077035 MCNRQSNFKINFTC-KRWDZBQOSA-N 319.380 2.228 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cc2cc(OC)ccc2n1C 96116454 FVUGDYVCMYSFBP-AWEZNQCLSA-N 315.417 2.401 0 40 DEAB biogenic Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccs2)o1 96181189 CSNOBYQTTJBIMU-IUODEOHRSA-N 318.398 2.485 0 40 DEAB c1ccc(-c2n[nH]cc2CN2CCOC[C@@H]2c2ccn[nH]2)cc1 257275912 NRMHGMVULRTFDJ-MRXNPFEDSA-N 309.373 2.373 0 40 DEAB COc1ccc([C@H]2CN(C(=O)C3CCC3)CCN2C(C)=O)cc1 257241357 HXTWALCIURYQCH-QGZVFWFLSA-N 316.401 2.227 0 40 DEAB O=C(c1cc(F)cc(F)c1)N1CCC2(CC1)OCCC[C@H]2O 257239167 HOEQREJORYPRGM-CQSZACIVSA-N 311.328 2.111 0 40 DEAB CCN1C[C@H](C)N(CCS(=O)(=O)Cc2ccccc2)C[C@@H]1C 390833025 ATXMISKMSQZXGZ-HOTGVXAUSA-N 324.490 2.016 0 40 DEAB CN(C)C(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccccc1)C2 585103342 UTPCNNBXLNGSQX-CRAIPNDOSA-N 300.402 2.407 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCN(c3cnccn3)C2)o1 29780358 BXFAWYBWRDFFOI-ZIAGYGMSSA-N 314.389 2.472 0 40 DEAB O=C(NCCCn1cccn1)c1cc(Cl)c2c(c1)OCO2 30170002 QQUGQXFMPMQPFM-UHFFFAOYSA-N 307.737 2.085 0 40 DEAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H]1CCN(C)C(=O)C1 44333881 UGCWBKFITMAUCS-CHWSQXEVSA-N 304.390 2.049 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 42367699 FTLLTXUJWHKWGI-HZMBPMFUSA-N 305.765 2.045 0 40 DEAB Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)OCCO2 5165015 NBYZXJNMGRLEDE-INIZCTEOSA-N 316.401 2.349 0 40 DEAB Cn1c2ccc(Cl)cc2c2oc(-c3nn[nH]n3)cc(=O)c21 5579974 FXHJYMSEVQZZTE-UHFFFAOYSA-N 301.693 2.118 0 40 DEAB CC(C)N(c1ccc(N)cc1C(=O)N1CCOCC1)C(C)C 226323583 BDEAMEHTGHDKPC-UHFFFAOYSA-N 305.422 2.364 0 40 DEAB O=C(C1CCOCC1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148760 DJDPBXQZGTWCFQ-MRXNPFEDSA-N 301.386 2.364 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CC(=O)Nc2ccccc21 34374160 GXTVEABCVQQWPA-UHFFFAOYSA-N 302.355 2.142 0 40 DEAB O=C(c1ncnc2c1CCCC2)N1CCN(c2ccccc2)CC1 1888850431 PPVQBSDYATVPMI-UHFFFAOYSA-N 322.412 2.318 0 40 DEAB Cc1cc(C(=O)NCc2sccc2C)c2c(O)nn(C)c2n1 24696030 NNVQYXOXQLBAAN-UHFFFAOYSA-N 316.386 2.282 0 40 DEAB O=C1CCc2cc(C(=O)N3CCC(n4ccnc4)CC3)ccc2N1 101864202 TXCTVVOEBYPJQE-UHFFFAOYSA-N 324.384 2.245 0 40 DEAB O=C(O)c1ccc(NC[C@H]2CCN(Cc3ccccc3)C2)nn1 309916168 UIWKTZZJMCIJOI-CQSZACIVSA-N 312.373 2.109 0 40 DEAB O=C1NCCOc2ccc(NC(=O)c3c(F)cccc3F)cc21 9171617 RMBKVBYOBUUGKS-UHFFFAOYSA-N 318.279 2.339 0 40 DEAB C[C@H]1CC[C@H]2C(=O)N([C@@H](CC(=O)O)c3ccco3)C(=O)[C@@H]2C1 19848327 WWVINSFHAZLOQY-QCNOEVLYSA-N 305.330 2.217 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30259997 OVGXNQIFVREFHC-RISCZKNCSA-N 305.353 2.158 0 40 DEAB CCCCc1nc(CN2CCN(C(=O)N(C)C)CC2)cs1 40513761 YITVXLKQAVTQSK-UHFFFAOYSA-N 310.467 2.285 0 40 DEAB Clc1snnc1CN(C[C@H]1CCCO1)C[C@H]1CCCO1 40540251 FJMLTPQKISFCPE-GHMZBOCLSA-N 317.842 2.352 0 40 DEAB CCc1nnc2sc(-c3cc(OC)c(OC)c(OC)c3)nn12 239771 DATNSYRRGQHZIG-UHFFFAOYSA-N 320.374 2.441 0 40 DEAB Cn1c(=O)c2cn(-c3cccc(C(F)(F)F)c3)cc2n(C)c1=O 205291 FUIVFXMPZGKUJT-UHFFFAOYSA-N 323.274 2.047 0 40 DEAB COc1ccccc1CN(C)C(=O)NCc1cccnc1OC 32803354 QTAIWKCJPDPABS-UHFFFAOYSA-N 315.373 2.440 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 21905304 AMGBCHVYVITNSN-MELADBBJSA-N 304.390 2.437 0 40 DEAB CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1 182383 VXIQVLHRYPFQFO-UHFFFAOYSA-N 321.402 2.317 0 40 DEAB CC[C@H](CCNC(=O)c1sccc1OC)N1CCCC1=O 95381563 SJHUXGBGBCDAAV-LLVKDONJSA-N 310.419 2.278 0 40 DEAB CCOCCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(C)c1 78819519 VYIWEJREVNQYTM-AWEZNQCLSA-N 322.430 2.262 0 40 DEAB CN1C(=O)CN(Cc2nc(N)c3ccccc3n2)c2ccccc21 79014218 NARJUGYVDQCZOI-UHFFFAOYSA-N 319.368 2.195 0 40 DEAB CCCCN(CCOC)S(=O)(=O)c1c[nH]c2ncccc12 79354789 JRXWUHRYOZMQEG-UHFFFAOYSA-N 311.407 2.000 0 40 DEAB Cc1cc(C(=O)N[C@@H](C(N)=O)c2ccccc2)c2ccccc2n1 54550380 CZWXMTNBJHRUMY-QGZVFWFLSA-N 319.364 2.500 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccncc1)C(=O)O 4222929 ZJIFSVVQZMXKEI-MRXNPFEDSA-N 306.362 2.478 0 40 DEAB Cc1csc(N2CCN(C(=O)c3c(C)noc3C)CC2)n1 24708643 JUPIBLFVPGUTKU-UHFFFAOYSA-N 306.391 2.019 0 40 DEAB O=S(=O)(N[C@@H](CO)c1ccccc1)c1cc2ccccc2o1 97020668 KTSZHJZPNIPQQC-AWEZNQCLSA-N 317.366 2.445 0 40 DEAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(N(CC)CC)cc2)C1 57367076 HONFNBYFYFYJRJ-CYBMUJFWSA-N 304.390 2.449 0 40 DEAB Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n(C)n1 43434975 IRGNNIHTFWMXLW-OAHLLOKOSA-N 313.405 2.125 0 40 DEAB C[C@@H]1CN([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)C[C@@H](C)O1 25412868 IZWJOUMUHPOODF-IXYNUQLISA-N 318.417 2.124 0 40 DEAB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccccc2)c1 12620563 ATZNOIMUQJJWIK-UHFFFAOYSA-N 301.298 2.196 0 40 DEAB COc1ccc([C@H](C)NC(=O)NCCCn2cccn2)cc1F 48177025 FLLJFKKOCSCWHE-LBPRGKRZSA-N 320.368 2.481 0 40 DEAB C[C@@H](CO)NCc1cc(Br)c2c(c1)OCCCO2 35602165 RYFVFVQAKMEUEA-VIFPVBQESA-N 316.195 2.081 0 40 DEAB c1csc(CN2CC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 107786043 HGXPZIRZDGMRHM-CJNGLKHVSA-N 316.430 2.384 0 40 DEAB C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)Cn1cccn1 44944442 JDLQDVNDHSOVNQ-ZDUSSCGKSA-N 311.389 2.145 0 40 DEAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)S(=O)(=O)c1ccccn1 44946947 BFDLSDUBUKGVON-OLZOCXBDSA-N 318.398 2.121 0 40 DEAB 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DEAB Cc1cc(C)n2cc(COC(=O)Cc3cccc(O)c3)nc2n1 65219739 WOZVAYGGPKALPA-UHFFFAOYSA-N 311.341 2.338 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)no1 72289402 RQHDUEUOJOCQHI-NSHDSACASA-N 317.393 2.498 0 40 DEAB CCOc1cc2c(cc1CNC(=O)c1cc[nH]n1)O[C@@H](C)C2 65447053 MLSUJTKOBCDBHW-JTQLQIEISA-N 301.346 2.062 0 40 DEAB CC(C)c1nc2c(n1C)CCN(Cc1ccc(C(N)=O)cc1)C2 72268360 OJYCBEQEYHTEJM-UHFFFAOYSA-N 312.417 2.201 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)C1 65552839 RZHHSONLNBFBLK-GFCCVEGCSA-N 320.820 2.486 0 40 DEAB C[C@H](NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)c1ccc(O)cc1 4689664 YAAOFDRMKFUPRX-WDEREUQCSA-N 308.378 2.483 0 40 DEAB CC(C)N(C)C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 95440876 JRCBSKAAZCOOIB-DZGCQCFKSA-N 307.369 2.147 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ncn[nH]2)c1C 5737121 DWXNROMVOUQSAV-SECBINFHSA-N 322.390 2.290 0 40 DEAB CCCCn1nnc(NC(=O)COc2cccc(C)c2C)n1 9427032 QNMXUMCJMOIKCG-UHFFFAOYSA-N 303.366 2.108 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1c(F)cccc1F 15646324 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CCC(=O)NCC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69350722 SNQCCKCMLGVDCC-PWSUYJOCSA-N 314.307 2.204 0 40 DEAB Cc1ccc(C(=O)NCCCOC2CCCCC2)c(=O)n1C 69350828 KCWLIXRIJLLKCY-UHFFFAOYSA-N 306.406 2.163 0 40 DEAB Cc1nc(CN2CCC[C@H](N(C)Cc3nc(C)c(C)o3)C2)no1 71870540 HIHMWBAFJFBJJB-AWEZNQCLSA-N 319.409 2.079 0 40 DEAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCCCOC)CC1 408708307 XKWUMQZHNMOZQU-UHFFFAOYSA-N 312.454 2.250 0 40 DEAB CC[C@H](C(=O)Nc1cc(C)on1)N1CCC[C@@H]1Cn1cccn1 71875574 QCNFYKWSXXBCJB-ZIAGYGMSSA-N 317.393 2.061 0 40 DEAB Cc1noc(C)c1NC(=O)N1CCN(c2nccs2)CC1 69589080 HMVZWQWMZPMMQF-UHFFFAOYSA-N 307.379 2.102 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3Cn3cccn3)cc12 69744113 JMXCXRGUVBULPA-CYBMUJFWSA-N 311.345 2.033 0 40 DEAB C[C@@H]1CO[C@@H](CO)CN1Cc1c(F)cccc1N1CCCC1 92042592 IINOEVXIFLRETQ-ZIAGYGMSSA-N 308.397 2.008 0 40 DEAB O=c1nc(SCc2ccccn2)nc2ccc(Cl)cn12 8717083 NPWFWWJNMPGNLX-UHFFFAOYSA-N 304.762 2.430 0 40 DEAB Cc1nc(C)c(CNC[C@H]2CCO[C@@H]2c2cnn(C)c2)s1 84062487 YANQFUQRWPRJHI-DOMZBBRYSA-N 306.435 2.361 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCS[C@@H]2COCC[C@@H]21 95427396 ZBYBZTPSMVTWRU-QWHCGFSZSA-N 321.377 2.049 0 40 DEAB OC1(CNCc2ccc(OC(F)F)c(F)c2)CCOCC1 95437367 FBYJFJYMDGLYDT-UHFFFAOYSA-N 305.296 2.058 0 40 DEAB Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)O 26442213 YDQXBBKSWJZXFK-UHFFFAOYSA-N 302.261 2.184 0 40 DEAB CCN(CCO)C(=O)c1c(C)nn(-c2ccccc2)c1Cl 98077145 WLQIYJKHMBVAKN-UHFFFAOYSA-N 307.781 2.289 0 40 DEAB C[C@H]1C[C@@H](c2ccsc2)CN1CC(=O)N1CCO[C@H](C)C1 75145902 TXPLWKQCDNULCM-GZBFAFLISA-N 308.447 2.173 0 40 DEAB Cc1ccc(-n2nnnc2N[C@@H]2c3ccccc3C[C@@H]2O)cc1 89643112 OZPQYJZIJRGJCQ-JKSUJKDBSA-N 307.357 2.041 0 40 DEAB NC(=O)C1(NCc2nnc(-c3ccc(F)cc3)o2)CCCCC1 89793877 NBIRGCXZBGMCSY-UHFFFAOYSA-N 318.352 2.154 0 40 DEAB O=C(Oc1ccc2nccnc2c1)c1ccc(-n2cnnc2)cc1 89781102 ADBCHWPCDKIUFF-UHFFFAOYSA-N 317.308 2.430 0 40 DEAB O=C(Nc1ccnn1CC1CC1)c1ncoc1[C@H]1CCCO1 89885084 JGOWVWFHSGHNQZ-LLVKDONJSA-N 302.334 2.385 0 40 DEAB CC[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CC2)C1)c1cccs1 89947944 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CC[C@H](Oc1ccccc1OC)C(=O)NCCCn1ccnc1 20567967 BDWSWPQJEXSFQA-AWEZNQCLSA-N 317.389 2.256 0 40 DEAB COc1ccc(CNC(=O)CCc2cc(C(C)=O)c(C)o2)cn1 32882603 ASJHCCIKHSSZEY-UHFFFAOYSA-N 316.357 2.443 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N1CCC[C@@H]1c1ccsc1 52803730 HDALTMDMFYXEBK-CMPLNLGQSA-N 318.450 2.479 0 40 DEAB Cc1cc(COc2ccccc2OCCN2CCOCC2)no1 22521194 NFJMPXMOHNIUPV-UHFFFAOYSA-N 318.373 2.273 0 40 DEAB COc1ccccc1OCCSc1nc2c(N)ncnc2[nH]1 3027549 DBQXNXUVBDQTNC-UHFFFAOYSA-N 317.374 2.115 0 40 DEAB biogenic CCOC(=O)c1c(NC(=O)CN(C)C)sc2c1CCCC2 3194875 YQTRJOOWUWGUGT-UHFFFAOYSA-N 310.419 2.304 0 40 DEAB CC[C@@H](C)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)CC 3155150 HREKMRHZFCJXDH-HTQZYQBOSA-N 300.296 2.086 0 40 DEAB Cc1cnc(C(=O)/N=c2\sccn2Cc2ccccc2)cn1 105382182 RXNIAOHQZPZXMI-MNDPQUGUSA-N 310.382 2.437 0 40 DEAB CN(C)P(=NC(=S)c1cccn1C)(N(C)C)N(C)C 4163089 MUUSFMCMCWXMEM-UHFFFAOYSA-N 301.400 2.332 0 40 DEAB C[C@@H]1[C@@H](NC(=O)CNC(=O)NCc2ccccc2)CCC[C@H]1C 105709143 SMJQKSFHWHYRLP-YCPHGPKFSA-N 317.433 2.427 0 40 DEAB CCc1nnc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1C 106185827 RVVXIMZXKSDDDY-MROQNXINSA-N 322.478 2.411 0 40 DEAB CS(=O)(=O)Cc1ccc(C(=O)N2CCc3ccccc32)cc1 8327788 QFNGMAVRGYLFNY-UHFFFAOYSA-N 315.394 2.434 0 40 DEAB CCc1cccc(C)c1NC(=O)CCN1C(=O)NC(C)(C)C1=O 8395747 UWCHQZVTTSLWOX-UHFFFAOYSA-N 317.389 2.216 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 12567005 UILFAXPRUIQDEZ-AOOOYVTPSA-N 308.378 2.058 0 40 DEAB Cc1ccc(-n2cc(C(=S)N3C[C@@H](C)O[C@H](C)C3)nn2)cc1 1417900 HAECBQVCHOQTSG-CHWSQXEVSA-N 316.430 2.360 0 40 DEAB CN(C)C(=O)COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 25657106 BXHCNLRPFSJNFE-ZDUSSCGKSA-N 302.374 2.448 0 40 DEAB C[C@@H]1CCc2ccccc2N1C(=O)COn1nnc2ccccc21 25811773 QISBZSLGSNJFCK-CYBMUJFWSA-N 322.368 2.228 0 40 DEAB CN(CC(=O)NC(=O)NC1CCCCC1)Cc1cccs1 57369771 CGIWAVDALKQNKN-UHFFFAOYSA-N 309.435 2.338 0 40 DEAB COc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1OC 9876564 YEFZHVOUGJSOPY-LBPRGKRZSA-N 323.462 2.332 0 40 DEAB O=C(CCc1ccco1)N1CCC(CC(=O)N2CCCC2)CC1 57638975 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O=C(NCCc1nnc2ccccn12)c1ccccc1Cl 11546064 OCFRTIACLANMDE-UHFFFAOYSA-N 300.749 2.355 0 40 DEAB COc1ccc(CN(CCN)[C@@H]2C[C@H](C)N(C)C[C@@H]2C)cc1 22859834 UAAWLEXGHZWUTA-RLFYNMQTSA-N 305.466 2.185 0 40 DEAB COc1cc(C)c(NC(=O)[C@@H](NC(C)=O)C(C)C)cc1OC 12868824 DFARCZXWQIUNEE-HNNXBMFYSA-N 308.378 2.111 0 40 DEAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CO3)c1 12821725 IADZCFNGVIZFMA-UHFFFAOYSA-N 312.325 2.343 0 40 DEAB O=C(CSc1nnnn1C1CCCC1)N(CC1CC1)C1CC1 65542477 IBMITPZKKLXZNM-UHFFFAOYSA-N 321.450 2.281 0 40 DEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(C)cc1 14184419 ZMIUOGHIXHJVIH-QGZVFWFLSA-N 311.381 2.438 0 40 DEAB O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc2c(c1)CCCC2 65610474 RXEGXUDJHCMGIV-QZTJIDSGSA-N 314.429 2.158 0 40 DEAB Cc1noc(C)c1COC(=O)[C@H](NC(=O)c1ccco1)C(C)C 6588589 MBCVLKRNUGKQAC-CQSZACIVSA-N 320.345 2.382 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1ncccc12 66054674 ZEJLWODBJNBBKT-UHFFFAOYSA-N 303.362 2.302 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc(N)s1 5636730 AHYIPZRNOMXVOB-JTQLQIEISA-N 322.459 2.350 0 40 DEAB CC(C)[C@H](C)NC(=O)COC(=O)c1cn(C)c2ccccc12 5703586 GIQNNCIJRICLEP-LBPRGKRZSA-N 302.374 2.496 0 40 DEAB CCc1ccc(/C(C)=C/C(=O)NC2CCN(C(N)=O)CC2)cc1 95401868 GTRZTOXMPISMGB-OUKQBFOZSA-N 315.417 2.312 0 40 DEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)no1 7062147 ICPBTDKKCSUMQX-VIFPVBQESA-N 314.301 2.043 0 40 DEAB O=C(COCC(F)(F)F)NCc1ccccc1-n1cccn1 67342308 VIBLNFPFOTWNLF-UHFFFAOYSA-N 313.279 2.067 0 40 DEAB CC(C)N(C)CC(=O)Nc1n[nH]c(-c2c(F)cccc2F)n1 96449586 OIMFSXMZUJUJSS-UHFFFAOYSA-N 309.320 2.029 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccn(C)c(=O)c2)C1(CC)CC 96454656 GQHSDQKQNYZXPO-ZIAGYGMSSA-N 306.406 2.099 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1S(N)(=O)=O 7751299 LHORKEIWKOELHS-LBPRGKRZSA-N 318.398 2.133 0 40 DEAB CN(C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1cccnc1 71885770 YPKDONFLSZKUDZ-QZTJIDSGSA-N 324.428 2.171 0 40 DEAB O=C(NCc1ccccn1)c1ccn(COc2ccccc2)n1 27971724 UEXMNHLKBKREAN-UHFFFAOYSA-N 308.341 2.245 0 40 DEAB CCc1nc([C@@H](C)NC(=O)NCCCc2nc(C)no2)cs1 71897767 YRNVSKZUIGCBOJ-SECBINFHSA-N 323.422 2.390 0 40 DEAB CC(C)COC[C@H](NC(=O)CSc1ncn[nH]1)c1ccco1 69489133 FBKRQYLRFRALOJ-NSHDSACASA-N 324.406 2.020 0 40 DEAB CS(=O)(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69437323 USYMKNVXKFLXMG-HOTGVXAUSA-N 308.447 2.075 0 40 DEAB CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)O 95425105 YYPHWCHDYGHDLJ-OAHLLOKOSA-N 315.373 2.011 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](CSc2n[nH]c(N)n2)C1 69566721 RKHDIFSYIQRUPT-SECBINFHSA-N 313.427 2.126 0 40 DEAB CC(C)Cc1cc(C(=O)Nc2cnn(-c3ccccn3)c2)[nH]n1 71916143 VHFGOYWLOBXDJQ-UHFFFAOYSA-N 310.361 2.441 0 40 DEAB CCOc1ccc(C2=CCN(CC3(CO)COC3)CC2)cc1 91813589 PPPYTIZVLNXSQQ-UHFFFAOYSA-N 303.402 2.183 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)c1cnc3ccccc3n1)C2 69739104 YJVXZZKIWKRSJY-UHFFFAOYSA-N 322.372 2.001 0 40 DEAB CCOc1cccc(CN2CC[C@@H](C(N)=O)c3ccccc32)n1 97086149 XNJZKUQUJZLYGG-OAHLLOKOSA-N 311.385 2.460 0 40 DEAB CS[C@H]1CCC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1 72287106 MHPQSOPOMMAVMU-QWRGUYRKSA-N 305.403 2.260 0 40 DEAB CC(C)(C)c1csc(CCNC(=O)NC[C@H]2CCOC2)n1 72274073 AOADTVSJSAOVLL-LLVKDONJSA-N 311.451 2.319 0 40 DEAB NC(=O)CSCC(=O)N(Cc1ccsc1)c1ccccc1 72287875 QLOFVRMXIMBSPD-UHFFFAOYSA-N 320.439 2.500 0 40 DEAB O=C(OCCCc1ccccc1)[C@@H]1CSCN1C(=O)C1CC1 97123950 ISPOIXGMTNNUAM-HNNXBMFYSA-N 319.426 2.474 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N2C[C@@H](C)CC[C@@H]2C)c1 72304220 IESMTPCEQDXJPO-KBPBESRZSA-N 317.433 2.419 0 40 DEAB COc1ccc(NC(=O)CCCC(=O)N(C)C)c2cccnc12 74228388 KDJIQLUGJVQKHX-UHFFFAOYSA-N 315.373 2.440 0 40 DEAB COC(=O)N1CCC(NC(=O)N(C[C@H]2C[C@H]2C)C(C)C)CC1 95962781 NRGNWVMSYZJWQD-CHWSQXEVSA-N 311.426 2.293 0 40 DEAB COC(=O)[C@H]1CCN(C(=O)c2cscn2)c2ccccc21 89226549 GHAHKMSHPGHXCZ-NSHDSACASA-N 302.355 2.450 0 40 DEAB CN(CCCNC(=O)C1(c2ccccc2)CC1)C(=O)C1CCC1 89340341 JBYFFVLXVYSVMS-UHFFFAOYSA-N 314.429 2.483 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(OC)c2)c1C 9951992 BNXNKRVMAXUGNW-UHFFFAOYSA-N 316.357 2.357 0 40 DEAB CC(C)OCCS(=O)(=O)N[C@@H]1CCc2ccc(F)cc21 75093604 FDRQDWGFTDYRRS-CQSZACIVSA-N 301.383 2.157 0 40 DEAB COc1cccc([C@H](C)C(=O)NCc2c(C)cc(C)[nH]c2=O)c1 75122272 UYPQDAUTZBGXTP-ZDUSSCGKSA-N 314.385 2.420 0 40 DEAB C[C@H](NC(=O)C1(c2ccc(Cl)cc2)CC1)[C@H]1CN(C)CCO1 89894406 YBYADHOEGMJFRY-SWLSCSKDSA-N 322.836 2.207 0 40 DEAB CCC[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1nnn[nH]1 89949569 BISGVGCSZAPHLR-CHWSQXEVSA-N 317.418 2.188 0 40 DEAB COc1cc(/C=C/C(=O)N[C@H](C)C(=O)O)ccc1OC(C)C 62714689 FJEBBFDDLLZNNA-LXSSAFMLSA-N 307.346 2.085 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CCN(CC(F)(F)F)CC1 55208247 QYZGTPCNYPMEKC-UHFFFAOYSA-N 311.307 2.488 0 40 DEAB CC[C@@H]1C[C@@H](CC(=O)N2CCC[C@@H]2c2ccc(O)nn2)CCO1 530080612 SYLRNIROKPQGJM-GZBFAFLISA-N 319.405 2.441 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2C 71195977 GWXFTDIBYGLSKJ-NSHDSACASA-N 324.446 2.326 0 40 DEAB Cc1nc(NC(=O)N(C)[C@@H]2CCOC2)ccc1Br 128516302 VQVSWEBSBAHBGL-SECBINFHSA-N 314.183 2.405 0 40 DEAB Cc1nnc(Nc2cccc([C@@H]3CCCN(CCO)C3)n2)s1 72383043 LPEVXYIWZHLLKQ-GFCCVEGCSA-N 319.434 2.157 0 40 DEAB CN(CCN)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1 79391765 MEDSNDTYPPVGSY-JKSUJKDBSA-N 305.422 2.115 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 32744866 WUZUCOWLDUAZKC-LALPHHSUSA-N 314.385 2.366 0 40 DEAB COc1cccc([C@H](NC(=O)C2CC2)c2nccn2C)c1OC 72346357 DKHVEWMBTIVCQP-AWEZNQCLSA-N 315.373 2.053 0 40 DEAB O=C(NC1CCN(CC(F)(F)F)CC1)c1c(O)cccc1F 121971443 BELBJYAZIMIMCE-UHFFFAOYSA-N 320.286 2.288 0 40 DEAB CC(C)[C@H](C)NC(=O)[C@H]1CSCN1C(=O)/C=C/c1ccco1 79093387 FYRASIIVXDOTQE-XFUXEANSSA-N 322.430 2.355 0 40 DEAB C[C@@H](CNC(=O)[C@@H](C)n1ccnc1)N(C)Cc1ccccc1 78916718 HDVKYKZAXHREFJ-LSDHHAIUSA-N 300.406 2.081 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1ccc(C)o1)O2 40779217 DYSGNTGBKICVIC-KRWDZBQOSA-N 314.341 2.302 0 40 DEAB CCS[C@H]1CCC[C@@H](NC(=O)N[C@@H](C)Cn2cncn2)C1 96452339 CQEPVCXTCUICLM-XQQFMLRXSA-N 311.455 2.030 0 40 DEAB C[C@H]1CCCCN1c1ccc(S(N)(=O)=O)c2cccnc12 95407706 KDZNCHJYRCYYFW-NSHDSACASA-N 305.403 2.261 0 40 DEAB COC[C@H]1CN(C(=O)c2ccoc2)Cc2ncn(CC3CC3)c21 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320.437 2.407 0 40 DEAB Cn1c(C(=O)O)ccc1[C@@H]1COCCN1C(=O)OC(C)(C)C 1535545201 IDBTVZCGCWATDQ-LBPRGKRZSA-N 310.350 2.032 0 40 DEAB COc1ccc(CNS(=O)(=O)c2ccccc2)c(OC)c1 33711672 NWJOTIYGQICLNA-UHFFFAOYSA-N 307.371 2.182 0 40 DEAB CCOCC(=O)NC[C@@H]1CCCN(C)[C@@H]1c1ccc(OC)cc1 79358326 XWDWXNZQJZEXRQ-MAUKXSAKSA-N 320.433 2.231 0 40 DEAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(N)=O)CC1 38754679 JMIVUFYGTALHJF-AWEZNQCLSA-N 324.808 2.221 0 40 DEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(O)cc2)C1=O 32109709 JPOOMPUKYLWKHM-KWINOFQJSA-N 321.354 2.380 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)C[C@@H]1CCCN(Cc2ccccc2)C1 79394299 BZTXXBHXYHGLPN-ROUUACIJSA-N 317.477 2.340 0 40 DEAB Cc1cc(Nc2ncnc3onc(C)c23)ccc1OCCO 225696492 NXBVHSWQJALONB-UHFFFAOYSA-N 300.318 2.349 0 40 DEAB CCCN1CCC[C@H]1C(=O)NC[C@@](C)(O)c1cc(C)oc1C 195536339 CGOFNMXLHUOTKZ-DOTOQJQBSA-N 308.422 2.095 0 40 DEAB Cn1cnnc1CN[C@H]1CCCC[C@@H]1OCc1ccccc1 195570305 QCKFDPOZDSNOCH-HOTGVXAUSA-N 300.406 2.433 0 40 DEAB Cc1ccc(CNC(=O)c2c(O)c3sccc3[nH]c2=O)o1 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2.104 0 40 DEAB CCS(=O)(=O)N(Cc1cccc(F)c1)C[C@H]1CCCO1 96427843 UNNUKBSPNFRFMC-CQSZACIVSA-N 301.383 2.156 0 40 DEAB COc1cc2c(c3c1OCO3)CN(Cc1ccccc1)C[C@@H]2O 95470485 UEAHQZJNTGHLSV-HNNXBMFYSA-N 313.353 2.473 0 40 DEAB CC(C)OC[C@@]12CCCO[C@H]1CCN(Cc1cnn(C)c1)C2 96040500 NCVIWKLYIGJRTJ-IRXDYDNUSA-N 307.438 2.216 0 40 DEAB O=C(C1CCOCC1)N1CCOC[C@H](Cc2ccccc2F)C1 257246318 ITOSQBPQBCFJIM-CQSZACIVSA-N 321.392 2.270 0 40 DEAB COc1ccc(OCC(=O)N2CC[C@H](c3nc(C)c[nH]3)C2)cc1 257231568 GHGSCVZZGRYNMJ-ZDUSSCGKSA-N 315.373 2.122 0 40 DEAB CNc1cc(C[C@H]2COCCN(C3CCCCC3)C2)ncn1 257264235 LTMZDKLYSGKBIS-CQSZACIVSA-N 304.438 2.342 0 40 DEAB O=C(N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1)c1ccncc1 252522971 BOCIOIUTWGFJBU-HDJSIYSDSA-N 316.336 2.131 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@H](C(=O)O)c1ccc(F)cc1 262789210 BSXDGULNCMOXKZ-LBPRGKRZSA-N 306.293 2.029 0 40 DEAB CCCn1nc(C(=O)Nc2cc(Cl)ccc2O)ccc1=O 67145576 UXWWYMYVEYRZQM-UHFFFAOYSA-N 307.737 2.265 0 40 DEAB O=C1CN(c2cc(C3CC3)ncn2)CCN1Cc1ccccc1 1167111226 XVVBGBJOIQCSGH-UHFFFAOYSA-N 308.385 2.203 0 40 DEAB O=C(NCc1ccccn1)c1ccc(Br)cc1O 44490479 XIYBREOCDJTZFM-UHFFFAOYSA-N 307.147 2.480 0 40 DEAB O=C(Cc1cccc(Br)c1)NC[C@@H]1CCCNC1 50041929 FYVIKINASAOUFH-GFCCVEGCSA-N 311.223 2.107 0 40 DEAB O=C(Cn1ccnc1)Nc1cccc(OCc2cccnc2)c1 72982709 AADBYGQRLWDFDR-UHFFFAOYSA-N 308.341 2.496 0 40 DEAB Cn1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)cc2ccccc21 55100239 VDDDSXPSKIGVMK-MRXNPFEDSA-N 307.353 2.135 0 40 DEAB COCc1nc2n(n1)C[C@@H](NC[C@@H](C)c1ccc(F)cc1)CC2 95989009 AOUVGXYPRFJMSB-DOMZBBRYSA-N 318.396 2.272 0 40 DEAB C[C@H](N)[C@H]1CN(Cc2ccc(Br)s2)CCO1 97019938 LSCDMPGQGDDUGD-WCBMZHEXSA-N 305.241 2.059 0 40 DEAB COc1cc(/C=C/C(=O)N[C@H](CC(C)C)C(=O)O)ccc1O 16026383 YKXOGYHXPMDNJC-HOSRBBHYSA-N 307.346 2.030 0 40 DEAB O=c1[nH]c(Nc2ccc3cn[nH]c3c2)nnc1-c1ccccc1 16675968 PEVGBTHCRBNEPI-UHFFFAOYSA-N 304.313 2.452 0 40 DEAB C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCCc2c(cnn2C)C1 19079027 DTJJCYQCKKTUED-GFCCVEGCSA-N 317.364 2.302 0 40 DEAB Cc1cccc(/C=C2/SC(=O)N(CN3CCOCC3)C2=O)c1 19288470 QPQUYIXHUOXKAT-GXDHUFHOSA-N 318.398 2.321 0 40 DEAB COc1ccc(N2C[C@H](CNC(=O)CC(C)C)CC2=O)cc1 8925167 SNWDDZPQMBIGFW-ZDUSSCGKSA-N 304.390 2.210 0 40 DEAB Cc1cc2c(cc1NC(=O)[C@@H]1C[C@@H]3C=C[C@H]1C3)n(C)c(=O)n2C 19125855 GTDFTNOMXRNCBU-FRRDWIJNSA-N 311.385 2.336 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3nc(O)n(C)c3c2)CC2(CCC2)O1 574401753 ICHRTLNIBVXWNU-NSHDSACASA-N 315.373 2.063 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(CC3CCOCC3)C2)nc1 1889065069 BRPHGIBHNJNSKZ-MRXNPFEDSA-N 304.438 2.112 0 40 DEAB Cc1nc2ccccc2nc1N1CCC[C@@H](NC(=O)C2CC2)C1 1889109033 ZJPFJKYXROMYTF-CQSZACIVSA-N 310.401 2.433 0 40 DEAB Cc1cc(C(=O)Nc2nc3cc4c(cc3s2)OCO4)n(C)n1 9122535 DNXWOWVWCZMYCW-UHFFFAOYSA-N 316.342 2.319 0 40 DEAB CCN1CC2(CCN(C(=O)c3cccc(Cl)n3)CC2)CC1=O 2055795851 HZNVGCZNZOOCKJ-UHFFFAOYSA-N 321.808 2.210 0 40 DEAB COc1ccc(-n2ccn(Cc3ccc(C)cc3)c(=O)c2=O)cc1 20488940 WMGFLYOURGDJJA-UHFFFAOYSA-N 322.364 2.365 0 40 DEAB CO[C@](C)(CNc1ncnc2c1cnn2C)c1ccccc1F 1775972642 PBBKZSYSWVTCED-MRXNPFEDSA-N 315.352 2.476 0 40 DEAB CCc1nnsc1C(=O)NCc1ccnc(N2CCCC2)c1 30011745 OWBXYVYJOBFFLP-UHFFFAOYSA-N 317.418 2.026 0 40 DEAB COc1cccc(CNCc2ccnc(N(C)C)c2)c1OC 30903124 GTCDKNPXSREREC-UHFFFAOYSA-N 301.390 2.455 0 40 DEAB Cc1ccc(C)c(NC(=O)NC[C@@H](O)CN2CCCCC2)c1 40525191 WJLPFCWAUQFAIM-OAHLLOKOSA-N 305.422 2.272 0 40 DEAB COc1cccc([C@@H](CNC(=O)c2scnc2C)N(C)C)c1 40533872 UVARCUHJUBHXQM-CQSZACIVSA-N 319.430 2.493 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1sc(-n2cccc2)nc1C 20865647 DRMRXPIJUVJNBM-ZDUSSCGKSA-N 318.446 2.456 0 40 DEAB O=C(NCC1(N2CCOCC2)CCCCC1)c1ccccc1O 32721226 IXIORTXFXIMRGX-UHFFFAOYSA-N 318.417 2.157 0 40 DEAB C[C@@H](CNCc1c[nH]nc1-c1ccc(F)cc1)N1CCOCC1 42201676 OVVMKQUKROHRPX-ZDUSSCGKSA-N 318.396 2.026 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)N[C@H](C)[C@H](C)CO)c2c1 77828226 LFZZHERVZCFKAI-VXGBXAGGSA-N 319.405 2.035 0 40 DEAB CCc1noc(CN2CCCN(C(C)=O)c3ccccc32)n1 78970132 OKHCPHAZJIMFSK-UHFFFAOYSA-N 300.362 2.395 0 40 DEAB COc1ccc(C)cc1NC(=O)CSc1nnnn1C(C)C 1357605 QGJFGTNNBWPNPQ-UHFFFAOYSA-N 321.406 2.302 0 40 DEAB CCc1ccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 4299282 FOZCGLMNNKZIET-OLZOCXBDSA-N 309.362 2.260 0 40 DEAB CCC(C)(C)NC(=O)[C@@H]1CCCN(c2nc(C)cc(OC)n2)C1 4967450 DQJVEYIUBIQCSR-CYBMUJFWSA-N 320.437 2.315 0 40 DEAB COC(=O)c1ccc(C(=O)Nc2ccccc2-n2cncn2)cc1 25000548 KYCPPMPVXGNQAF-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB CN(CCCNC(=O)N[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(F)cc1 108105459 YTAGPRZHQKJGLB-BZUAXINKSA-N 321.396 2.271 0 40 DEAB CCCOc1ccc(CNC(=O)Cn2cccc(C)c2=O)cc1 84758548 ZHQZSWOFEHPWHS-UHFFFAOYSA-N 314.385 2.262 0 40 DEAB CN1C(=O)CC[C@H](C(=O)NCc2cccnc2)[C@H]1c1ccccc1 57355485 FPZBUAIVZREQME-FUHWJXTLSA-N 323.396 2.308 0 40 DEAB COc1ccc(CNC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)cc1 100260496 JBKDXFIRKXJJTL-ROUUACIJSA-N 317.385 2.433 0 40 DEAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)N1CCOCC1 57632485 CTQCNXXTBVRNFY-LLVKDONJSA-N 304.173 2.321 0 40 DEAB CC(C)(C)CNC(=O)N1CCC[C@H](c2nnc3n2CCC3)C1 48262465 OPUUMOVMWPEDCI-LBPRGKRZSA-N 305.426 2.159 0 40 DEAB COCCN1CCCN(C(=O)c2cc3c(s2)CCC3)CC1 48251863 JPMLWBVRQBRSQZ-UHFFFAOYSA-N 308.447 2.031 0 40 DEAB CN(Cc1ccco1)C(=O)Nc1ccc(N2CCOCC2)nc1 44951446 VLXXOYREJNPWMJ-UHFFFAOYSA-N 316.361 2.175 0 40 DEAB COC(=O)C[C@@H](NC(=O)Cc1c(C)noc1C)c1ccccc1 58369364 KHDSEXZLMVPOCX-OAHLLOKOSA-N 316.357 2.255 0 40 DEAB O=C(O)Cn1cc([C@H](C(=O)O)N2CCCCC2)c2ccccc21 36365888 LMBLOVKRZCCRKT-MRXNPFEDSA-N 316.357 2.338 0 40 DEAB Cc1n[nH]c2ncc(CNC[C@H](O)c3ccc(F)cc3)cc12 48353999 PKPBQJHUMDUWNZ-HNNXBMFYSA-N 300.337 2.229 0 40 DEAB CN1N=C(C(=O)N2CCC[C@@H]2CCc2ccccc2)CCC1=O 48366295 YUWKYNVAJUXKJD-OAHLLOKOSA-N 313.401 2.218 0 40 DEAB CCCN1C(=O)[C@@H](NC(C)=O)c2cc(Br)ccc21 2453920 PBYXNVILGZHZGJ-LBPRGKRZSA-N 311.179 2.383 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(=O)O)C1 36966284 KZVSVQPFSQLBIH-QWRGUYRKSA-N 311.765 2.431 0 40 DEAB Cc1ccc(OCCC(=O)Nc2cccc3c2C(=O)NC3=O)cc1 3426335 JTRPHIDFIXZCOP-UHFFFAOYSA-N 324.336 2.286 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1F 101568117 UAJNIUOMKRDNNA-QBPKDAKJSA-N 306.333 2.044 0 40 DEAB CCNC(=S)NNC(=S)Nc1cccc(Cl)c1C 2646352 LFBFWKJRLRIGFD-UHFFFAOYSA-N 302.856 2.334 0 40 DEAB Cc1ncsc1C(=O)N1CCN(Cc2ccsc2)CC1 46742268 DAZMZXCUFKKYIN-UHFFFAOYSA-N 307.444 2.471 0 40 DEAB O=C(Cn1cnc2ccsc2c1=O)Nc1c(F)cccc1F 12993620 VXIXZNQTVQCBRO-UHFFFAOYSA-N 321.308 2.375 0 40 DEAB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@@H]1c1ccccc1 9155585 GDIVAUZKVLFWTD-OAHLLOKOSA-N 318.373 2.236 0 40 DEAB O=C(CNc1ccccc1Oc1ccccc1)N1CCNC1=O 9154456 QQIOLDFTAWTYER-UHFFFAOYSA-N 311.341 2.443 0 40 DEAB CC1(C)OC(=O)C([C@@H]2NCCc3c2[nH]c2ccccc32)=C(O)O1 4090060 YAGTTYHRTUXBEZ-AWEZNQCLSA-N 314.341 2.434 0 40 DEAB biogenic C[C@H]1CC(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)=NN1C 95464797 QKKOFTWMFFGWAG-VIFPVBQESA-N 317.780 2.497 0 40 DEAB O=C(C[C@H]1CCCN1C(=O)N1CCOCC1)c1cccs1 96000336 VBDIQQRXNQAFIB-GFCCVEGCSA-N 308.403 2.238 0 40 DEAB Cc1cc(C(=O)Nc2n[nH]c(Cc3cccc(F)c3)n2)no1 96004818 BMDAWDNYQJNODC-UHFFFAOYSA-N 301.281 2.083 0 40 DEAB O=C(CSc1nnc2n1CCCCC2)NCc1ccco1 6098122 HWLJBPZHDIIBGD-UHFFFAOYSA-N 306.391 2.006 0 40 DEAB COc1ccc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1 5292086 PIKKTKMYGBPWKF-UHFFFAOYSA-N 316.357 2.133 0 40 DEAB O=C(NCCc1ccccc1)N1CCN(c2ccccn2)CC1 14158559 PSTNOXQOPVQZOE-UHFFFAOYSA-N 310.401 2.156 0 40 DEAB COC(=O)C[C@H](c1ccc(O)cc1)c1oc(C)cc(=O)c1O 96114950 WQOVRWDYUAOMSS-GFCCVEGCSA-N 304.298 2.054 0 40 DEAB biogenic Cn1c(SCC(=O)NC(=O)c2ccco2)nc2ccccc21 9378311 ZZESYVVAGZXSDB-UHFFFAOYSA-N 315.354 2.215 0 40 DEAB CC(C)NC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 66326874 JJKMIGXKFFZWIY-LLVKDONJSA-N 320.311 2.153 0 40 DEAB Cc1c(C(=O)NC[C@@H](C)N2CCCC2)[nH]c2c1C(=O)CCC2 68065060 BMOMQMSQUMCVQU-LLVKDONJSA-N 303.406 2.056 0 40 DEAB O=C(NCCc1ccc2c(c1)CCO2)N[C@H]1CCCC[C@H]1CO 81495700 VOIYOLODADNBNX-HOTGVXAUSA-N 318.417 2.014 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCN1CCO[C@H](Cn2cccn2)C1 69491263 RTWLUVSCECBGJH-IKGGRYGDSA-N 307.438 2.179 0 40 DEAB O=[S@](Cc1c(F)cccc1Cl)Cc1nnnn1C1CC1 69452983 DYUKNAPJECWEQC-FQEVSTJZSA-N 314.773 2.249 0 40 DEAB O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@H]1Cn1cccn1 71865067 QLQMHLOQPORXEU-DOTOQJQBSA-N 311.385 2.268 0 40 DEAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1COCCO1 69589257 RSXITGWSKPBTPL-CQSZACIVSA-N 318.304 2.367 0 40 DEAB c1csc(N2CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 69624956 IEGIZYOLIALXLW-UHFFFAOYSA-N 317.414 2.237 0 40 DEAB Cc1nc(-c2ccsc2)ccc1C(=O)N(C)CC(=O)N(C)C 71854158 STHSYAWLQDIKPA-UHFFFAOYSA-N 317.414 2.279 0 40 DEAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 69703751 VFBSMOWAWCCEOT-INIZCTEOSA-N 316.401 2.268 0 40 DEAB O=C(Nc1ccc2c(c1)COC2)N[C@@H](CO)Cc1ccccc1 92166518 DLKZLRVTMWAEAW-QGZVFWFLSA-N 312.369 2.442 0 40 DEAB CCCn1c(S[C@H]([C@@H]2CCCO2)C(F)(F)F)n[nH]c1=O 71911285 ZEEPPPLRTFDWLC-JGVFFNPUSA-N 311.329 2.183 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1Cc1cc(-c2ccco2)on1 9613756 PFZBPJVLOODKHB-UHFFFAOYSA-N 301.302 2.299 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Nc1cccn(C)c1=O 92736231 XLKTWDAXGGOLDD-ZDUSSCGKSA-N 315.377 2.094 0 40 DEAB COc1ccc(Cl)cc1CCNC(=O)c1c[nH]c(C)cc1=O 73612234 LWMBQMHJXHINGL-UHFFFAOYSA-N 320.776 2.318 0 40 DEAB O=C1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)N1 72294807 HCLTVSRMUOAYPM-KOLCDFICSA-N 320.698 2.338 0 40 DEAB COCc1noc(CN2CCN([C@H](C)c3ccsc3)CC2)n1 97142310 NQNFCIKUXAEVDS-GFCCVEGCSA-N 322.434 2.156 0 40 DEAB Cc1cc(C)c(C(=O)OCCOc2ccccc2F)c(=O)[nH]1 97113050 ZKMGSLVTXCLTOL-UHFFFAOYSA-N 305.305 2.367 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N(CCO)C1CC1 95944971 HFJDBKRUSALLLZ-CQSZACIVSA-N 318.417 2.281 0 40 DEAB Cc1cc(=O)c(C(=O)N2CCO[C@@H](c3ccccc3C)C2)c[nH]1 89689300 YKBCURIZWYRCKK-QGZVFWFLSA-N 312.369 2.205 0 40 DEAB COC(C)(C)CNC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 75313297 BVEXWZRMVNDSHB-HUUCEWRRSA-N 306.406 2.488 0 40 DEAB CC(C)n1nccc1NC(=O)N[C@H]1CCN(c2ccccn2)C1 89893855 BCBYLFGFQONMPP-ZDUSSCGKSA-N 314.393 2.259 0 40 DEAB CCC(=O)N1CC[C@@H](NC(=O)NCCCc2cccc(F)c2)C1 89941596 KCFNSMIGAGBIDR-OAHLLOKOSA-N 321.396 2.068 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CCOC[C@@H]3CCCO3)n2)s1 76065102 ABNGMNHNWFUCMZ-ZDUSSCGKSA-N 320.414 2.476 0 40 DEAB CCN(Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)N 79415477 PSCBSRNHNTXOPI-RDJZCZTQSA-N 303.450 2.237 0 40 DEAB O=C(CCc1cc(F)ccc1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549731643 PIDNNYWQSWIRBS-LLVKDONJSA-N 320.343 2.336 0 40 DEAB CN(CC(=O)NCCc1ccccc1)C(=O)Oc1ccccc1 409002525 OGVXLFNXZAEMSV-UHFFFAOYSA-N 312.369 2.476 0 40 DEAB CC(C)c1ccc(-c2nnc(NC(=O)/C=C\C(=O)O)o2)cc1 215867060 KEZCHLSJDJCONV-FPLPWBNLSA-N 301.302 2.439 0 40 DEAB O=C(OCc1ccccc1)N1CCC(N(CCO)C2CC2)CC1 79391746 ONBKGVHAKFGUJH-UHFFFAOYSA-N 318.417 2.244 0 40 DEAB O=S(=O)(c1ccccc1)[C@@H]1[C@@H](CO)[C@@H]1c1ccc(F)cc1 218559877 PWFDLSUZCPYBIC-HRCADAONSA-N 306.358 2.374 0 40 DEAB Cc1ccc(OCC(=O)Nc2cccc(O)c2)c(-n2cnnc2)c1 32646665 TWIONPBLDJMYAW-UHFFFAOYSA-N 324.340 2.299 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@@H]1CCCN(C(=O)CN)C1 79428778 ZVJSZWLJMWYCSU-QGZVFWFLSA-N 303.450 2.094 0 40 DEAB Cc1cc(CC(=O)N[C@H]2CCCN(c3ccccc3F)C2)n[nH]1 122818542 KBAFVLJFHWDDHW-ZDUSSCGKSA-N 316.380 2.185 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)CC2CCCC2)ncc1C(N)=O 72345428 GEDONCHXVQPWGD-CQSZACIVSA-N 316.405 2.128 0 40 DEAB CCN(CC)[C@H]1CCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 76052220 ORNPLJWNJRRWIG-DLBZAZTESA-N 317.433 2.428 0 40 DEAB CC(C)N(C[C@H]1CCCN1CCN)C(=O)OCc1ccccc1 79411657 YXHGZVOUNXUVLO-QGZVFWFLSA-N 319.449 2.457 0 40 DEAB CCN(CC)[C@@H](C(N)=O)c1ccc(Br)cc1F 72557623 INMFFHDYZRBLGG-LLVKDONJSA-N 303.175 2.456 0 40 DEAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 72227587 ZMGAFQKJEGUXMI-GJZGRUSLSA-N 316.744 2.484 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 40159827 TXEASYNZKASMRV-ZLENFMNRSA-N 316.426 2.418 0 40 DEAB CCS(=O)(=O)N(C)c1cccc(C(=O)NCCC(C)C)c1 225968494 CJAJMMIRTWTGBL-UHFFFAOYSA-N 312.435 2.248 0 40 DEAB CC[C@@H](C)Oc1cc(CNc2ccnc(C(N)=O)c2)ccn1 192772040 NKZBQQCWIZBZHP-LLVKDONJSA-N 300.362 2.365 0 40 DEAB Cc1ccoc1C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 194495018 BWFXDVRKBRVLDA-LLVKDONJSA-N 304.350 2.057 0 40 DEAB COCCCNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184794 NSBKZXAXZZNALR-UHFFFAOYSA-N 323.780 2.475 0 40 DEAB CCN1C(=O)c2cccc3c(Cl)cc(S(N)(=O)=O)c1c23 85344922 KTXBZSAQNZHNNV-UHFFFAOYSA-N 310.762 2.121 0 40 DEAB CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(C)c1Cl 41096278 COEMFLMMHAIUMK-MRVPVSSYSA-N 312.218 2.351 0 40 DEAB COc1ccc(CC(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 224293750 DTBKLNBGRPRJKP-UHFFFAOYSA-N 314.389 2.349 0 40 DEAB Brc1ccccc1-c1nc([C@H]2COCCN2)no1 135920763 PZZMQMGZIDCBDQ-SNVBAGLBSA-N 310.151 2.160 0 40 DEAB Cc1csc(NC(=O)CC2(Cn3cnnn3)CCCCC2)n1 44892968 PHBLHISLKMRRDG-UHFFFAOYSA-N 320.422 2.417 0 40 DEAB Cc1cc(N2CCC[C@@H](C(=O)O)C2)nc(-c2cccc(N)c2)n1 226104501 NCKMAIFJYSHHHL-CYBMUJFWSA-N 312.373 2.335 0 40 DEAB Cc1ccc(N[C@@H]2CO[C@@]3(CCCN(CC4CC4)C3)C2)nn1 96048477 OHVILCRBBWGLLA-RDJZCZTQSA-N 302.422 2.230 0 40 DEAB CC(C)C(=O)NCCCNC(=O)N[C@@H]1CCc2c(F)cccc21 96484955 SRYGISCMZHLOQI-OAHLLOKOSA-N 321.396 2.275 0 40 DEAB CN(C)C(=O)Nc1cccc(CNC(=O)c2cccn2C)c1 96423193 RVJBXJZACYTCQF-UHFFFAOYSA-N 300.362 2.049 0 40 DEAB CN(C)C(=O)N1CCC[C@@]2(COCCN(c3ccccc3)C2)C1 96228964 QQYREISVLUAUKN-SFHVURJKSA-N 317.433 2.287 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)C[C@@H]1CCC[C@H]1O 534921637 NFIIELYOWMZUHW-HEHGZKQESA-N 319.401 2.181 0 40 DEAB COc1ccc2c(ccn2CCNC(=O)c2[nH]nc3c2CCC3)c1 95476519 JSDBWPKCCDSNEU-UHFFFAOYSA-N 324.384 2.292 0 40 DEAB O=C(NC[C@H](O)c1ccccc1F)[C@@H]1COc2ccccc21 96445802 YDFKQCBDRWZFNZ-HIFRSBDPSA-N 301.317 2.152 0 40 DEAB c1cnc(N[C@H]2CO[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 96047714 PABDGCHCXFCCED-ZBFHGGJFSA-N 316.430 2.384 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)NCc3ccco3)CC(=O)N2C)cc1 96181299 YKKJAJKSEVQYJJ-DOTOQJQBSA-N 312.369 2.424 0 40 DEAB COCCN1CCCC[C@@]12CC(=O)N(c1ccccc1OC)C2 96217291 WGJDCVRMFSAGCJ-SFHVURJKSA-N 318.417 2.303 0 40 DEAB COc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)cc1CO 97376538 UIZQYLXDODFTKX-INIZCTEOSA-N 304.390 2.000 0 40 DEAB CCCC[C@@H](N)C(=O)N1CCC(Cn2nc(C)cc2C)CC1 96499704 RCHFFWHMLRAQGS-MRXNPFEDSA-N 306.454 2.256 0 40 DEAB CN1CCN(C(=O)CCc2ccc(Br)cc2)CC1 96622034 UNHCRFSSNIPMEY-UHFFFAOYSA-N 311.223 2.156 0 40 DEAB C[C@H]1CN(c2ccccc2NCc2cnnn2C)C[C@H](C)O1 95448622 RIFGOCKGUJEWQF-STQMWFEESA-N 301.394 2.041 0 40 DEAB Cc1cn[nH]c1C[C@@H]1CCCN(S(=O)(=O)C2CCCC2)C1 257326339 WWVYARQBATWCSD-ZDUSSCGKSA-N 311.451 2.245 0 40 DEAB Cc1nccc([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257201610 AIIBNIDZOMTHIR-CYBMUJFWSA-N 322.372 2.076 0 40 DEAB CCc1noc(C)c1C(=O)N[C@@H]1CCCN(c2ccccn2)C1 257244584 ILYKFZLZNWYTFF-CYBMUJFWSA-N 314.389 2.339 0 40 DEAB Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O 257214612 CMQIKKHWXYRVNX-JHJVBQTASA-N 305.403 2.138 0 40 DEAB Cc1cnc(C2(C)CCN(C(=O)Cn3cccn3)CC2)s1 257238321 HKLFVZQNWHRVMT-UHFFFAOYSA-N 304.419 2.228 0 40 DEAB CCOCC(=O)N1C[C@H]2[C@@H](Oc3ccccc3F)CC[C@H]2C1 257318990 VQFRINWHHINYTA-GUTXKFCHSA-N 307.365 2.478 0 40 DEAB CN(CCOCCO)C(=O)Nc1ccc(-c2nccs2)cc1 282550123 RSHMQRMGOKHOQW-UHFFFAOYSA-N 321.402 2.283 0 40 DEAB O=C(N1CC2(C[C@H](OCc3ccccn3)CS2)C1)C1(F)CC1 575405304 YJODTAWXTOVJBV-ZDUSSCGKSA-N 322.405 2.187 0 40 DEAB CCCCC(=O)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 575403262 HHTCFMDHOKFFQR-CQSZACIVSA-N 304.390 2.411 0 40 DEAB Cn1cc(S(=O)(=O)Nc2ccc(F)c(-n3cccc3)c2)cn1 69982504 FVTITIAVEFBCLM-UHFFFAOYSA-N 320.349 2.151 0 40 DEAB O=C(c1cc(F)c(F)cc1Br)N1CCC[C@@H]1CO 153852970 MWGXNGNPPRXTNV-SSDOTTSWSA-N 320.133 2.324 0 40 DEAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)N1CCC1 46904181 WDURENSTVQMQJA-UHFFFAOYSA-N 302.300 2.318 0 40 DEAB Cc1occc1COC(=O)C1CCN(c2cnccn2)CC1 76094377 SDYZBQSPFSFNAF-UHFFFAOYSA-N 301.346 2.338 0 40 DEAB CCCCN1C(=S)N(c2ccccc2)[C@H]2CS(=O)(=O)C[C@H]21 5608159 BYNGFCRTLCTOKR-KGLIPLIRSA-N 324.471 2.059 0 40 DEAB C[C@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 13139619 GDYZQHMAUYZCAF-QQKNPXLJSA-N 309.406 2.196 0 40 DEAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 13580465 OQQSTZSLTVDQQE-LBPRGKRZSA-N 324.446 2.317 0 40 DEAB C[C@@](CO)(NC(=O)c1cnn2c1CCCC2)C1CCCCC1 157894891 MXOXBUUZYVIKFF-KRWDZBQOSA-N 305.422 2.281 0 40 DEAB COc1ccc(N2C[C@H](NC(=O)NCCC(C)C)CC2=O)cc1 4479564 BWNDTPVAHLAICD-CYBMUJFWSA-N 319.405 2.146 0 40 DEAB O=C(COC(=O)c1ccc(F)cc1)NCCc1ccccc1 3619185 XYWRIMDCNVENRA-UHFFFAOYSA-N 301.317 2.341 0 40 DEAB O=C(NCCCN1CCCC1=O)Nc1c[nH]c2ccccc12 5299905 JOSRMTRFHOORTB-UHFFFAOYSA-N 300.362 2.302 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CC(n2nccn2)C1 1775968063 MKWFRMNOTAHCOF-UHFFFAOYSA-N 311.267 2.386 0 40 DEAB COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)c2ccoc2)c1 30404273 REPDLOGRQNDVNX-JTQLQIEISA-N 319.313 2.481 0 40 DEAB COC(=O)C1(NC(=O)/C=C/c2cscn2)CCC(C)CC1 50333230 HJBUXNXDPYKPEM-ONEGZZNKSA-N 308.403 2.394 0 40 DEAB C[C@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(Cl)cc1 31005854 HMTGDQSUEXWGMS-SNVBAGLBSA-N 320.828 2.366 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1nnc(C(C)C)s1)C1CCCC1 40476098 CZAZNYGZNKFKTJ-NSHDSACASA-N 310.423 2.295 0 40 DEAB Cc1cc(NC(=O)COc2cccc(-c3nnco3)c2)no1 31611480 RUFBVVAKUIOTNC-UHFFFAOYSA-N 300.274 2.051 0 40 DEAB COc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1 182499 GRPZEPZESNEBNA-UHFFFAOYSA-N 309.325 2.097 0 40 DEAB O=S(=O)(CCCn1cncn1)Cc1ccc(F)cc1Cl 40543131 IAEUDVFHALMGKQ-UHFFFAOYSA-N 317.773 2.076 0 40 DEAB CC[C@H](C)c1ccccc1OCC(=O)NCc1nncn1C 40512118 MOAXQBZYWVEMLA-LBPRGKRZSA-N 302.378 2.024 0 40 DEAB O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1csnn1 32497959 MVZYLPAYPIOWIR-OAHLLOKOSA-N 316.430 2.495 0 40 DEAB COCCOc1ncccc1C(=O)N1CCc2sccc2C1 53026713 PKTNCEVNXDQACT-UHFFFAOYSA-N 318.398 2.367 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=S)N[C@H]2C[C@H]3CC[C@H]2C3)C1 104272686 POYXHSMAJMRXOA-FQUUOJAGSA-N 310.463 2.325 0 40 DEAB COCCN(C)C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1 71185260 WMZPXISKPFMWAM-UHFFFAOYSA-N 320.370 2.257 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)NC[C@H]1CCCO1 47579675 BKRCORMCMSMXDR-OAHLLOKOSA-N 319.405 2.381 0 40 DEAB COc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1 269978 VZFAETMGMXHGSN-UHFFFAOYSA-N 319.382 2.455 0 40 DEAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2c1cccnc1 71282164 RDOMVDLDRSEJGF-GFCCVEGCSA-N 314.345 2.273 0 40 DEAB CC(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1 3561850 HDUGNJRMXYIHRI-UHFFFAOYSA-N 309.329 2.196 0 40 DEAB COc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)c(O)c1 24073859 AOWJLDZMLWYPBZ-UHFFFAOYSA-N 315.325 2.102 0 40 DEAB COC(=O)[C@@H](Nc1c(C(C)=O)nnn1-c1ccccc1)C(C)C 4943220 KTZYRUAGHKSSSB-ZDUSSCGKSA-N 316.361 2.079 0 40 DEAB Cc1nc2nc(CC(=O)N3CCC(C)CC3)nn2c(C)c1Cl 4999384 BYJLBNCJCCSOIT-UHFFFAOYSA-N 321.812 2.196 0 40 DEAB Cc1cccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)c1 6055564 JOIQLUKUFZHTCS-CQSZACIVSA-N 302.330 2.160 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NC1CCCCCC1 6176020 LGGMWRCMULGKAL-CYBMUJFWSA-N 324.446 2.192 0 40 DEAB O=C(Cn1nnc(-c2ccccc2)n1)NCCCc1ccccc1 7736112 UPPCWPLJRZWDRX-UHFFFAOYSA-N 321.384 2.089 0 40 DEAB Cc1csc2nc(COC(=O)Cc3ccsc3)cc(=O)n12 25175760 YJSJPHIESDSAKY-UHFFFAOYSA-N 320.395 2.412 0 40 DEAB C[C@H](NCc1cccs1)C(=O)NCc1ccc2c(c1)OCO2 3285319 PCLCLVIGKQGMTD-NSHDSACASA-N 318.398 2.271 0 40 DEAB Cc1cnn(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)c1 55946816 VIHQHCXUTWJTMS-WBVHZDCISA-N 317.364 2.367 0 40 DEAB C[C@@H](NC(=O)CNc1ccc2c(c1)OCCO2)c1ccco1 25622386 REVOMGFRCLYCJV-LLVKDONJSA-N 302.330 2.340 0 40 DEAB Cn1cccc1C(=O)N(CCC(=O)O)Cc1ccc(F)c(F)c1 95970091 IMJLAAWWDLNXJI-UHFFFAOYSA-N 322.311 2.420 0 40 DEAB O=C(NOCc1ccccc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 25037164 GTJVSHAXDNSHSQ-QGZVFWFLSA-N 324.380 2.283 0 40 DEAB CC(Cl)(Cl)C(=O)[C@@H](C#N)c1nnc2n1CCCCC2 35441754 QGSQXFBSLLEEBN-MRVPVSSYSA-N 301.177 2.375 0 40 DEAB CCN(CC)C(=O)c1ccccc1NC(=O)C1CCN(C)CC1 174249280 RBFJSQZPDDDVBZ-UHFFFAOYSA-N 317.433 2.449 0 40 DEAB C[C@H]1CN(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)C[C@@H](C)O1 12693088 WSBSNYYRXSTKLR-AOOOYVTPSA-N 319.430 2.083 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 12602842 HGOMOMJDWYDNCK-ZDUSSCGKSA-N 323.780 2.163 0 40 DEAB Cc1cccc(C)c1-n1nnnc1CN(C)CCc1ccncc1 95999367 LEYRIVXWMGYCHH-UHFFFAOYSA-N 322.416 2.349 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1 9052496 DIJABCXSIAMAHH-UHFFFAOYSA-N 315.373 2.052 0 40 DEAB NC(=O)CCN(C(=O)Cc1ccc(F)cc1)c1ccccc1 12782450 PUDHHPWNBVDBKS-UHFFFAOYSA-N 300.333 2.277 0 40 DEAB Cc1cc(C)cc(C(=O)NCCC(=O)NCc2cccnc2)c1 58245767 QMMZJVPTNSICDW-UHFFFAOYSA-N 311.385 2.135 0 40 DEAB CC(C)Oc1cccc([C@@H](C)NS(=O)(=O)c2cnn(C)c2)c1 44937620 GOTZCEVIWXKNGS-GFCCVEGCSA-N 323.418 2.247 0 40 DEAB COCc1cccc(NC(=O)[C@H](C)NC(=O)c2ccoc2)c1 44977169 XVIQTNPGZLCTFG-NSHDSACASA-N 302.330 2.183 0 40 DEAB O=C1OCC[C@@H]1Sc1ncnc2c1cnn2-c1ccccc1 3376949 MQUSFEJIAOWDNO-LBPRGKRZSA-N 312.354 2.223 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 44949751 MCOFIGHZRFPDIN-OAHLLOKOSA-N 320.408 2.475 0 40 DEAB CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C)c2cccs2)C1 36413015 ZFGNLQHITOEFBO-CHWSQXEVSA-N 324.446 2.200 0 40 DEAB O=C(CCNS(=O)(=O)c1ccccc1)NCC1CCCCC1 3434097 CRXQOTTWCIWZIQ-UHFFFAOYSA-N 324.446 2.052 0 40 DEAB O=C1C[C@H](NC2Cc3ccccc3C2)C(=O)N1c1ccccc1F 10493779 DECVFVQOXSIRJF-INIZCTEOSA-N 324.355 2.215 0 40 DEAB O=C(O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 11689965 AZLNVQQEXFVXAA-AWEZNQCLSA-N 311.293 2.105 0 40 DEAB biogenic Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3cccnc3)c12 24358762 LJACWIDJPVAHLS-UHFFFAOYSA-N 321.384 2.479 0 40 DEAB O=C(NO[C@@H]1CCCCO1)c1cc(Br)ccc1O 60333137 MBNSATAUHPEVLR-LLVKDONJSA-N 316.151 2.343 0 40 DEAB C[C@@H](CNC(=O)c1ccnc(N(C)C)c1)N(C)c1ccccc1 47121149 JTHFHIINQVCEPG-AWEZNQCLSA-N 312.417 2.402 0 40 DEAB O=C(c1cc(I)c[nH]1)N1CCCCC1 115314180 PRZVOVYOGYFXQG-UHFFFAOYSA-N 304.131 2.245 0 40 DEAB CC(=O)c1ccc(NC(=S)NCCCn2ccnc2)cc1 13684672 QWCZIPGLRMBPPU-UHFFFAOYSA-N 302.403 2.462 0 40 DEAB Cc1nc(Cl)cc(N2CCOC[C@H]2c2c(C)nn(C)c2C)n1 95458767 LWJPCAPJQLZVOL-LBPRGKRZSA-N 321.812 2.367 0 40 DEAB COCCNC(=O)CNC(C)(C)c1cccc(C(F)(F)F)c1 65554322 KEIFZUUEWFOBDA-UHFFFAOYSA-N 318.339 2.293 0 40 DEAB Cc1ccc(OCCCNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)cc1 65562620 FIXRRDIVLPXEFU-HOCLYGCPSA-N 318.417 2.042 0 40 DEAB CC(C)N(C(=O)COn1nnc2ccccc21)c1ccccc1 5404134 NBVIOMCYAFYRHO-UHFFFAOYSA-N 310.357 2.302 0 40 DEAB COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(C)ccc1C 5517387 SFAHRLNADAQWEF-HNNXBMFYSA-N 318.373 2.121 0 40 DEAB CC1CCN(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)CC1 4824112 IZBXRYRDOCSCAN-LBPRGKRZSA-N 315.373 2.367 0 40 DEAB CC(=O)Nc1ccc(F)c(NC(=O)NCc2cc(C)on2)c1 67563696 SRUDKYFLNMGRHH-UHFFFAOYSA-N 306.297 2.402 0 40 DEAB Cc1cc(NC(=O)N[C@H](C)[C@@H]2COc3ccccc32)nn1C 96484537 HEONHNHBVDENCU-YPMHNXCESA-N 300.362 2.415 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)CN1CCCCC1 7339160 JSJPVISHNFLNHI-UHFFFAOYSA-N 305.378 2.078 0 40 DEAB Cc1nnc(SCC(=O)NCc2ccc(F)cc2)n1C1CC1 7617358 PMVSKGJDRLJPPQ-UHFFFAOYSA-N 320.393 2.469 0 40 DEAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)c(O)c1 7609159 KPOJYWJWTKJTRE-UHFFFAOYSA-N 312.369 2.363 0 40 DEAB CCN(C)[C@H](C(=O)NCCc1cscn1)c1ccccc1 71896350 HTRGFUQTQKXQPI-HNNXBMFYSA-N 303.431 2.495 0 40 DEAB CCCN1CCC(NC(=O)NCc2ccc(C)nc2OC)CC1 71885951 XNYZMHNDFWFKNJ-UHFFFAOYSA-N 320.437 2.072 0 40 DEAB CCN(CC)Cc1ccccc1CNC(=O)Cc1cc[nH]n1 95400362 OAXACARIJIRYEP-UHFFFAOYSA-N 300.406 2.110 0 40 DEAB NC(=O)c1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)cc1 8276771 PKNJDWOGEFOMLY-UHFFFAOYSA-N 318.716 2.420 0 40 DEAB CCN(CC(=O)NC[C@H](C)CC1(C)OCCO1)c1ccccc1 71916659 IPBWAYPZBUWPEQ-OAHLLOKOSA-N 320.433 2.418 0 40 DEAB O=c1onc(-c2ncccn2)n1CCOc1ccc(Cl)cc1 72057998 PGRDMVZOEDRCRE-UHFFFAOYSA-N 318.720 2.026 0 40 DEAB C[C@@H](O)CN1CCC(CN(C)c2cnc3ccccc3n2)CC1 69658892 AXHTUZFVFBXSME-CQSZACIVSA-N 314.433 2.159 0 40 DEAB Cc1cccc(-c2nc(CN3CCC[C@H]3Cn3cncn3)no2)c1 69842301 JNOCPZVADRZHQR-HNNXBMFYSA-N 324.388 2.301 0 40 DEAB O=C(NC[C@H]1Cc2ccccc21)N[C@H](CO)Cc1ccccc1 119029047 UCBXFKBABXVRQN-SJORKVTESA-N 310.397 2.229 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1Cc1ncnn1C 97012394 PVVBELQJAUNMCJ-OLZOCXBDSA-N 323.441 2.083 0 40 DEAB CC(=O)N(C)c1nc(CN2CCC[C@H]2c2noc(C)n2)cs1 72301218 XOSXSMGVBAMPNM-LBPRGKRZSA-N 321.406 2.154 0 40 DEAB Cn1ncnc1CNC(=O)Nc1cc(-c2ccccc2)ns1 84303998 AVUYLJDZCHMUHA-UHFFFAOYSA-N 314.374 2.260 0 40 DEAB Cc1cc(C)nc(NC(=O)N2CCN(Cc3ccon3)CC2)c1 97378686 BDSXALCXSDPTFD-UHFFFAOYSA-N 315.377 2.036 0 40 DEAB COCCS(=O)(=O)Nc1cc(C2CCCCCC2)[nH]n1 89420225 VMGFRAOSBHOKID-UHFFFAOYSA-N 301.412 2.236 0 40 DEAB CNC(=O)[C@H](C)CN(C)C(=O)Nc1cccc(Cl)c1F 75092589 YTNISPIELLWDTD-MRVPVSSYSA-N 301.749 2.325 0 40 DEAB CCC1CCC(NC(=O)[C@@H](C)n2cccn2)(C(=O)OC)CC1 75107174 BIHUKBFDRMCDPV-VEAWUBTESA-N 307.394 2.072 0 40 DEAB Cc1cc(NC(=O)CN2CCO[C@@H](c3ccsc3)C2)no1 89606719 PQPFEBVHEQITCV-GFCCVEGCSA-N 307.375 2.057 0 40 DEAB Cn1cc(NC(=O)c2cccn2Cc2ccccc2)ccc1=O 89755105 LOCMSSITMSFLEN-UHFFFAOYSA-N 307.353 2.487 0 40 DEAB CCn1cc(CCC(=O)NCc2ccc(OC)cc2)c(C)n1 28576768 RFQBZGXRXLSYMP-UHFFFAOYSA-N 301.390 2.469 0 40 DEAB O=C(NC1CCN(C(=O)C2=CCCCO2)CC1)c1cccs1 73054126 OZZAFZAPXZOJMW-UHFFFAOYSA-N 320.414 2.163 0 40 DEAB Cc1ccc(C)c(CN2CCCN(S(=O)(=O)C3CC3)CC2)c1 374830998 VNKYZFKDGKBVEV-UHFFFAOYSA-N 322.474 2.303 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2cc(NC3CC3)ncn2)CC1 79439342 IXHOHSHMARMPTL-UHFFFAOYSA-N 319.409 2.108 0 40 DEAB CSC[C@@H](C)C(=O)NC[C@@](C)(O)c1ccc(F)cc1F 79350205 SOTWKQVXNUKSDC-YMTOWFKASA-N 303.374 2.288 0 40 DEAB CCc1nc(NC(=O)NCc2cccc(SC)c2)nn1C 48179566 VAACAKYNRYCVLM-UHFFFAOYSA-N 305.407 2.421 0 40 DEAB Cn1ccc2nc3ncnn3c(-c3ccccc3Cl)c2c1=O 40398045 ISRVXDUHZBVFOR-UHFFFAOYSA-N 311.732 2.297 0 40 DEAB Cc1nc2cc3c(cc2n1C[C@@H](O)CC(F)(F)F)OCCO3 225545984 QRNJNDUSIUGUFN-VIFPVBQESA-N 316.279 2.429 0 40 DEAB CCc1ncnc2c1CCN(C(=O)NCc1ccccc1)CC2 96255064 GKRUIQKDSHDYKO-UHFFFAOYSA-N 310.401 2.349 0 40 DEAB COCCN1CCN(C(=O)c2ccoc2C)Cc2cccnc21 96060931 JPVBAGZOHWWQHP-UHFFFAOYSA-N 315.373 2.092 0 40 DEAB O=C(CCSc1ccccn1)N[C@H]1c2ccccc2C[C@H]1O 97022714 OEWQGGCIZIERHP-PBHICJAKSA-N 314.410 2.338 0 40 DEAB CCn1nnnc1-c1cccc(NC(=O)/C=C/c2cccnc2)c1 96413952 ZJWFXQNTPSUTRM-CMDGGOBGSA-N 320.356 2.407 0 40 DEAB COCCN(Cc1cc(Cl)ccc1Cl)[C@@H](C)C(N)=O 96424200 IVFFPWNCPSSZDD-VIFPVBQESA-N 305.205 2.316 0 40 DEAB CC(C)C(=O)N1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2 96221752 ZLYHLNHPHSFGGI-OAHLLOKOSA-N 304.390 2.267 0 40 DEAB CCO[C@@H](C)c1noc(Cn2cc(NC(=O)C(C)(C)C)cn2)n1 96435623 JCAKCNAIKYOYDA-JTQLQIEISA-N 321.381 2.397 0 40 DEAB Cc1ccc(CN2Cc3nnn(C)c3[C@@H](COCC3CC3)C2)o1 96060709 LIZROKBUOBFQEJ-CQSZACIVSA-N 316.405 2.243 0 40 DEAB O=C(NCc1ccccn1)c1cc(-c2ccc3c(c2)CCO3)n[nH]1 96118397 TXJSOORJQIHLQZ-UHFFFAOYSA-N 320.352 2.337 0 40 DEAB CC[C@H]1CCCCN1C(=O)CN1[C@H]2CC[C@H]1c1snnc1C2 253606159 UZMLHZVBFMVWLQ-OBJOEFQTSA-N 320.462 2.391 0 40 DEAB CCn1ncc(CNCc2ccnn2CC(F)(F)F)c1F 256050530 FJRHKRKOMNVHRD-UHFFFAOYSA-N 305.279 2.091 0 40 DEAB CC(C)C(=O)N1CCC[C@H](Cc2cc(-c3ncc[nH]3)ncn2)C1 257275048 NNSIEFINCQODFW-CYBMUJFWSA-N 313.405 2.304 0 40 DEAB CC1=CCC[C@H](C)[C@@H]1CNC[C@H]([C@@H]1CCOC1)N1CCOCC1 253369996 KVYFSADUAFVZAV-WJFTUGDTSA-N 322.493 2.306 0 40 DEAB NC(=O)[C@H](NCCc1ccc(-n2cccn2)cc1)c1ccccc1 26226080 OJHHITAYJCLFQT-GOSISDBHSA-N 320.396 2.231 0 40 DEAB COc1ccccc1[C@@H]1CN(C(=O)c2cncs2)CCN1C 257256836 KNBOQKJIKRZZRU-ZDUSSCGKSA-N 317.414 2.281 0 40 DEAB CN(C)C(=O)[C@@H]1CCC[C@]12CCN(C(=O)c1cccs1)C2 585102817 IQYARDVJXJFGSW-BLLLJJGKSA-N 306.431 2.469 0 40 DEAB CCCCn1nnnc1COc1ccc(-c2nnco2)cc1 65622175 DNNTVRIDGBOINE-UHFFFAOYSA-N 300.322 2.102 0 40 DEAB CCc1cnc(OC2CCN(c3nc(C)ns3)CC2)nc1 1776001913 RVUCXNGKCCQWOR-UHFFFAOYSA-N 305.407 2.247 0 40 DEAB Cc1noc(C)c1CN(C)CC(=O)NCc1ccc(F)cc1 46406987 ZEGTYMBSYCRVHU-UHFFFAOYSA-N 305.353 2.179 0 40 DEAB CC(C)COCCNc1cc(C(F)(F)F)nc2ncnn12 52456759 IBFKLZKAWMWEOP-UHFFFAOYSA-N 303.288 2.228 0 40 DEAB CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc(F)cc32)N2CCC[C@H]12 54969064 NKKZSSIIOCIZEJ-KHIZAZIESA-N 318.348 2.021 0 40 DEAB CCOC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc(F)cc32)N2CCC[C@H]12 54969066 NKKZSSIIOCIZEJ-FABXCBLPSA-N 318.348 2.021 0 40 DEAB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)N(CCO)C2CC2)cc1 72527290 JLQHDFDUPSXLMX-SJORKVTESA-N 318.417 2.381 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@H]2CCC[C@H]2O)cn1 89694402 NURNHVMOSDNMIW-DGCLKSJQSA-N 312.435 2.227 0 40 DEAB CC(C)CO[C@H](C)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 42496958 OUUICNQBISBIMX-QWHCGFSZSA-N 308.426 2.243 0 40 DEAB Cc1ccccc1N1C(=S)S[C@@H]2CS(=O)(=O)C[C@]21C 5615598 WVBTVKWNWNCBLK-DGCLKSJQSA-N 313.469 2.389 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=S)NC(C)(C)C)c1 5659745 QDFKPQTVHSRANZ-UHFFFAOYSA-N 315.464 2.022 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1 15591401 WJBQEUUMWUHTHM-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB COC(=O)Cc1sc(Nc2ccccc2)nc1C(=O)OC 16189862 MMEHRIJKCXDZJP-UHFFFAOYSA-N 306.343 2.389 0 40 DEAB CCNC(=O)[C@H](C)NC(=O)C(c1ccccc1)c1ccccc1 18704018 VUDYULICJQRCNH-AWEZNQCLSA-N 310.397 2.459 0 40 DEAB CCn1c(=O)oc2cc(S(=O)(=O)NC3CCCCC3)ccc21 19936709 ZYEDDKHWXCUGQM-UHFFFAOYSA-N 324.402 2.225 0 40 DEAB Cc1nc(C)c(CC(=O)Nc2ccc(F)c(Cl)c2)c(=O)[nH]1 19937435 KYPAKPIMJLVFQK-UHFFFAOYSA-N 309.728 2.360 0 40 DEAB COc1ccc(-c2ccc(C(=O)O)o2)c(NS(C)(=O)=O)c1 226353428 JCGOIJKTDNCKDJ-UHFFFAOYSA-N 311.315 2.025 0 40 DEAB CCOc1ccc(C(=O)CCN2CCOCC2)cc1OCC 19596488 DVJAUJDHEKQGRS-UHFFFAOYSA-N 307.390 2.389 0 40 DEAB COc1ccc(C(C)=O)cc1COC(=O)c1cnc(C)cn1 3415619 XVDKJHZRUCTCPE-UHFFFAOYSA-N 300.314 2.353 0 40 DEAB COc1ccc2cc(C(=O)N3CC(Cn4ccnc4)C3)[nH]c2c1 1889206522 NSKGINJXQOPINK-UHFFFAOYSA-N 310.357 2.145 0 40 DEAB O=C(Nc1ccc(Cl)cn1)[C@H]1CC(=O)N(C2CCCC2)C1 21351145 NEQFODPWRMHCOE-JTQLQIEISA-N 307.781 2.465 0 40 DEAB Cc1cc(C(=O)NCc2ccnn2C)c(C)n1-c1cccnc1 24650775 QVKFYGNFIPJWRH-UHFFFAOYSA-N 309.373 2.153 0 40 DEAB CS[C@H]1CCCN(S(=O)(=O)c2ccc(C(C)=O)cc2)C1 252511273 ZVUUQDMSRZAQBY-ZDUSSCGKSA-N 313.444 2.405 0 40 DEAB COC[C@@H]1CCC[C@@]12CN(C(=O)c1csc(C)n1)CCO2 1565547634 QVUVZDDYYVMXCX-SWLSCSKDSA-N 310.419 2.109 0 40 DEAB Cc1ccc(O[C@@H](C)c2nc(-c3nonc3N)no2)cc1C 35171 RHYNRMGZQHLYTR-VIFPVBQESA-N 301.306 2.459 0 40 DEAB COC1CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 44450150 SHDPHDRYSFRVDW-UHFFFAOYSA-N 303.811 2.448 0 40 DEAB C[C@@H](Oc1ccccc1)C(=O)NCc1nncn1-c1ccccc1 40088234 GSZNQXKSQTYKHW-CQSZACIVSA-N 322.368 2.351 0 40 DEAB COc1ccccc1OCCNC(=O)c1ccc2cn[nH]c2c1 40488708 HKACLQIJFLURIY-UHFFFAOYSA-N 311.341 2.380 0 40 DEAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)NCc2nnc3n2CCC3)o1 40481222 ZZLVIUIHJJMZQS-VAFIWLDWSA-N 312.373 2.270 0 40 DEAB COCCN(C(=O)c1cccc(Nc2ncccn2)c1)C1CC1 40554171 YHEYPVRETPUSMZ-UHFFFAOYSA-N 312.373 2.471 0 40 DEAB CC1CCC2(CC1)NC(=O)N(C[C@@H](O)c1cccc(F)c1)C2=O 51256812 JRKPRYGIEURSNU-CHHLVHLRSA-N 320.364 2.360 0 40 DEAB Cc1ccc(CC(=O)NCc2cccnc2-n2ccnc2)cc1 32778155 DLXJCWABAOCDDN-UHFFFAOYSA-N 306.369 2.435 0 40 DEAB O=C(NCCNc1ncccn1)c1ccc(Br)cc1 32913211 XYHWFRUYZACATJ-UHFFFAOYSA-N 321.178 2.081 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)C1 415908 IWTVBYFVHALLTE-XEZPLFJOSA-N 313.463 2.444 0 40 DEAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 103266651 MMHNWDDVYLCXAQ-XWLWVQCSSA-N 323.466 2.063 0 40 DEAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C1CCCC1 21955727 WEYRCDDSEVFBJA-HNNXBMFYSA-N 300.358 2.470 0 40 DEAB C/C(=C\C(=O)NCCc1nncn1C)c1ccccc1Cl 104131972 WNCSWPRVRMSRLJ-PKNBQFBNSA-N 304.781 2.231 0 40 DEAB CN1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 61462 JGNXFEFRLGUUCI-UHFFFAOYSA-N 303.406 2.059 0 40 DEAB CC(C)C[C@H](NC(=O)c1ccc(Br)cn1)C(=O)O 61860208 WBORMVOKFHVTAG-JTQLQIEISA-N 315.167 2.073 0 40 DEAB CC(C)c1nn(C)c(Cl)c1CN[C@H](C)CC[S@](C)=O 79073412 AHRDAUQYBOKLLA-GIGQVBGESA-N 305.875 2.444 0 40 DEAB Cc1cccc(OC[C@H](O)CN2CC(=O)Nc3ccccc32)c1 12534272 NXYOKTITDXDAMC-CQSZACIVSA-N 312.369 2.193 0 40 DEAB CC[C@@H]1Oc2ccc(C(C)=O)cc2N(CCCN(C)C)C1=O 61997435 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WGEUDFWMWYFEDA-NSHDSACASA-N 305.403 2.237 0 40 DEAB Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@@H](C)CC3)cc12 96402772 IEKSAVUCMZTFJI-LLVKDONJSA-N 322.434 2.087 0 40 DEAB CCN(CC)[C@H]1CCN(C[C@H]2CN(c3ccccc3)C(=O)O2)C1 247535815 ORNPLJWNJRRWIG-IRXDYDNUSA-N 317.433 2.428 0 40 DEAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2oc3c(F)cccc3c2C)[C@H]1O 257326910 WZBVFRYUHWRWHF-MGPQQGTHSA-N 321.348 2.491 0 40 DEAB O=C(/C=C/c1ccccc1)N1CCOC[C@@H](Cc2ccncn2)C1 257228669 FUULOHSBROPKLR-LXXRFIIISA-N 323.396 2.208 0 40 DEAB COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCNC1 257219423 DGSVHDISLDNAHT-LLVKDONJSA-N 304.415 2.354 0 40 DEAB O=C(NCCN=c1cc[nH]cc1)[C@H]1CC[C@@H]1c1ccc(F)cc1 530262711 XTUCPZGVHJMGRE-SJORKVTESA-N 313.376 2.365 0 40 DEAB COc1cccc2cc(C(=O)N3CCc4ncncc4C3)oc12 96122743 UMDOOQFBULASNG-UHFFFAOYSA-N 309.325 2.430 0 40 DEAB Cc1cc(C)cc(C2(C(=O)N[C@@H]3CCCS(=O)(=O)C3)CC2)c1 69842126 LOGLXVASEBAAPK-OAHLLOKOSA-N 321.442 2.028 0 40 DEAB CNC(=O)[C@@]1(C)CN(Cc2cccc(C(F)(F)F)c2)CCO1 72379578 NZORLAYXORYKKW-CQSZACIVSA-N 316.323 2.042 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1)N1CCN(Cc2ccccn2)CC1 53811126 MWIRUNZRBTXPKR-INIZCTEOSA-N 324.428 2.226 0 40 DEAB Cc1ccc(C(=O)N2CCN(CC3CCCCC3)CC2)c(=O)[nH]1 75124351 OSSRHMWIOKKQMU-UHFFFAOYSA-N 317.433 2.021 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H](C)n1ccnc1 75130447 BDCSOJQAHWOOJQ-KBPBESRZSA-N 301.394 2.158 0 40 DEAB CN(C[C@@H]1COCCO1)C(=O)C1(c2cccs2)CCCC1 85472995 GANCTSRQXRVDIU-CYBMUJFWSA-N 309.431 2.434 0 40 DEAB c1cc(-c2nnc(Cc3nnc(-c4ccncc4)o3)o2)ccn1 5605227 CWGNXUKMCPZKCR-UHFFFAOYSA-N 306.285 2.167 0 40 DEAB Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1oc3ccccc3c1C)C2 12143200 OIWBQBTYXKDIAX-UHFFFAOYSA-N 323.352 2.331 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COc2ccc3c(c2)OCO3)C1 12170295 MBGJDHGOOZFDKI-MGPQQGTHSA-N 307.390 2.133 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(OC)cc1OC 12411970 LVQXQKXCMBOFAI-DOMZBBRYSA-N 307.346 2.088 0 40 DEAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(O)c1 17320550 OMEVCGRBZHOORR-UHFFFAOYSA-N 301.298 2.060 0 40 DEAB C[N+](C)=c1ccn(CC(=O)c2ccc(Br)cc2)cc1 13120151 AHRUQZJYMIASQM-UHFFFAOYSA-N 320.210 2.165 0 40 DEAB Cc1cccc(CNC(=O)c2ccccc2NS(C)(=O)=O)c1 13668720 ZTBPBCXGKKAQAP-UHFFFAOYSA-N 318.398 2.297 0 40 DEAB O=C(Nc1c(O)nc(=S)[nH]c1O)c1ccc2ccccc2n1 16957965 DQLPQTPEHKWXIJ-UHFFFAOYSA-N 314.326 2.351 0 40 DEAB O=C(c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccco1 17214771 NLRKLVGUTXNYLN-GFCCVEGCSA-N 304.689 2.498 0 40 DEAB Cc1cc(O)nc([C@H]2CCCN2C(=O)c2scnc2C)n1 19118160 OABVMBVZSCMLJI-SNVBAGLBSA-N 304.375 2.233 0 40 DEAB O=C(NCc1ccccn1)C1(Cc2ccncc2)CCOCC1 19701791 HTHITTMWJQLMES-UHFFFAOYSA-N 311.385 2.132 0 40 DEAB O=C([C@@H]1CN(c2ccc3ccccc3n2)CCO1)N1CCCC1 1889134414 GSIULJCGJMGVMJ-INIZCTEOSA-N 311.385 2.062 0 40 DEAB Cc1cncc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)n1 1889139406 IJAMMDCACCHILU-VMPITWQZSA-N 322.412 2.256 0 40 DEAB CC(C)N1C[C@]2(CCN(Cc3ccccc3F)C2)COCC1=O 2037980988 PLYDERIAURFHKF-GOSISDBHSA-N 320.408 2.285 0 40 DEAB Cc1nc(C)c(C(=O)Nc2c(C)nc3ccccn3c2=O)s1 9616838 OSBRTMZPOWVAOY-UHFFFAOYSA-N 314.370 2.329 0 40 DEAB Cc1cc2ncc(NC(=O)c3ccc4nsnc4c3)cn2n1 206737305 LMQSRWTXKQZZFR-UHFFFAOYSA-N 310.342 2.295 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1F 40063099 FQMOIKFMSUZYMD-ZDUSSCGKSA-N 310.756 2.362 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc(C)no2)cc1 40468886 VLQSGOQJSKBLLH-UHFFFAOYSA-N 308.359 2.006 0 40 DEAB CCOc1ccccc1N1CCN(c2ccc(S)nn2)CC1 21658496 BRWOABUHTXXAQH-UHFFFAOYSA-N 316.430 2.491 0 40 DEAB in-vitro CCn1c2sc3c(c2c(=O)n2nnnc12)CC(C)(C)SC3 532529 NUGWTDRNFXNQGT-UHFFFAOYSA-N 321.431 2.089 0 40 DEAB COC(=O)[C@@H](C)CN(C)C(=O)c1c[nH]nc1-c1ccc(F)cc1 53118993 RJBNSKXUPDBAPK-JTQLQIEISA-N 319.336 2.097 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2CCO[C@H]3CCC[C@H]32)c1 53384821 WVLVZFAYUZQNCS-SJORKVTESA-N 314.385 2.430 0 40 DEAB CC(C)(C)CC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1 53677275 MOEBEKBWABWFKL-UHFFFAOYSA-N 324.446 2.180 0 40 DEAB OCCNC[C@H](O)Cn1c2c(c3cccc(Cl)c31)CCCC2 12421949 YQRCRBYMNWFGDC-LBPRGKRZSA-N 322.836 2.116 0 40 DEAB CCc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1 414515 XJKKZSDTZZWQAX-UHFFFAOYSA-N 322.372 2.123 0 40 DEAB NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 585082 DAQWXHFXVFVUQG-UHFFFAOYSA-N 304.733 2.456 0 40 DEAB C[C@@H](C(=O)N[C@H](C)c1ccccn1)n1nnc(-c2ccccc2)n1 79292163 FMVODFLWLDIJPF-OLZOCXBDSA-N 322.372 2.174 0 40 DEAB CCOCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 2974126 COJGNNYRCVGBAE-UHFFFAOYSA-N 308.359 2.214 0 40 DEAB CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 72275623 ZLBMFYZOOMNCQU-UHFFFAOYSA-N 320.370 2.449 0 40 DEAB CC(C)(C)c1noc(Cn2cnc3cc(F)ccc3c2=O)n1 24048401 JSTUYGAYWRGZLV-UHFFFAOYSA-N 302.309 2.264 0 40 DEAB O=C(Nc1nc(CN2CCOCC2)cs1)[C@@H]1C[C@H]2CC[C@H]1C2 105938625 BCGSGJOGSMNDAM-SGMGOOAPSA-N 321.446 2.350 0 40 DEAB C[C@@H](CNC(=O)Nc1nncs1)N1CCc2ccccc21 43127585 RVOWXLAPNJZZNL-JTQLQIEISA-N 303.391 2.111 0 40 DEAB O=C(Nc1nncs1)N1CCO[C@@H](c2ccc(F)cc2)C1 43128346 ANUJUFGTDUUNIP-LLVKDONJSA-N 308.338 2.283 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCC(COc2ccccc2)CC1 55425036 KWGIWJYRLVHCLE-UHFFFAOYSA-N 312.369 2.306 0 40 DEAB CN(Cc1ccncc1)[C@H]1CCC[C@@H]2CN([C@H]3CCOC3)C[C@@H]21 107197522 QSSNFRSHMCKRHT-XWSJACJDSA-N 315.461 2.403 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)c1nc(C)oc1-c1ccccc1 97115901 FQWFCVNNOIQJBI-SNVBAGLBSA-N 302.330 2.331 0 40 DEAB Cc1nn(Cc2csc([C@H]3CCCO3)n2)c(C)c1CCO 97115014 WYLHUIMIQFWTEW-CQSZACIVSA-N 307.419 2.391 0 40 DEAB CN(C)C(=O)[C@@H]1CCCN1Cc1csc(-c2ccco2)n1 25313544 BIRBRUQXYRLJQJ-LBPRGKRZSA-N 305.403 2.456 0 40 DEAB Cc1c(Cl)cccc1NC(=O)COC(=O)Cn1cccn1 26046145 DCACEFLILDGMPP-UHFFFAOYSA-N 307.737 2.027 0 40 DEAB Cc1noc([C@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 26992205 RLYMRNJYBBOEKA-JTQLQIEISA-N 322.390 2.091 0 40 DEAB Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cn[nH]c3)CCC2)cc1 58289878 GNPXRMFONHBRON-UHFFFAOYSA-N 319.386 2.053 0 40 DEAB CCCNC(=O)CN(CCC)Cc1nnc(-c2ccco2)o1 48291087 AHKWMEFSOVCEPL-UHFFFAOYSA-N 306.366 2.068 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(CN(C)C)cc1 58407406 WDVSIQUOCLJDPJ-UHFFFAOYSA-N 315.465 2.146 0 40 DEAB Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)N1CCCCCCC1 58430245 MLVOAGLFUUQWGB-UHFFFAOYSA-N 324.446 2.357 0 40 DEAB O=C(CS(=O)(=O)Cc1ccccc1)NCc1ccccc1F 58596370 CBKTUVCUWSAWKP-UHFFFAOYSA-N 321.373 2.057 0 40 DEAB Cc1cc(C)n(-c2ccc(CNC(=O)NCC3CCC3)cn2)n1 46119589 PBGXPBUDEJVJML-UHFFFAOYSA-N 313.405 2.483 0 40 DEAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N1C[C@H](C)O[C@@H](C)C1 2776690 UMMZUMMLOLZSDT-YUMQZZPRSA-N 321.755 2.418 0 40 DEAB Cn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O 3507248 XWQLZQIEXSBKIO-UHFFFAOYSA-N 317.414 2.084 0 40 DEAB COc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C(=O)O)c1 13086776 OYWBGAIUQJVUFA-SMDDNHRTSA-N 321.373 2.467 0 40 DEAB CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)O)[C@H]4C2=O)cc1 3881823 GSGREUANUSWPFE-ZXFNITATSA-N 313.353 2.181 0 40 DEAB biogenic CCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 13331552 AFGOTWZWFRSTPC-UHFFFAOYSA-N 324.446 2.018 0 40 DEAB O=C(COc1ccccc1F)NCCc1ccc(C(=O)O)cc1 13442777 NISBIJAEYVHVQE-UHFFFAOYSA-N 317.316 2.262 0 40 DEAB Cc1nnc(S)nc1Nc1ccc(N2CCOCC2)cc1 5009323 VVSWBBPBLBOWOY-UHFFFAOYSA-N 303.391 2.049 0 40 DEAB CCNC(=O)CNC(=O)c1cc2c(s1)-c1ccccc1OC2 14017900 FHQJHAVVDFKELG-UHFFFAOYSA-N 316.382 2.173 0 40 DEAB CCCS(=O)(=O)NCc1c(C)nn(-c2ccccc2)c1C 65593384 IEXTUOQGKZPVDL-UHFFFAOYSA-N 307.419 2.319 0 40 DEAB CC[C@@H](C)Nc1nc(N[C@H](C)CC)nc(N2CCOCC2)n1 4673397 PFJPWMYPHMCVFV-VXGBXAGGSA-N 308.430 2.129 0 40 DEAB CCCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2 5555398 QJXDTMGLRFOJQG-UHFFFAOYSA-N 304.371 2.484 0 40 DEAB COc1ccc(-c2n[nH]cc2C(=O)N(C)Cc2cnccn2)cc1 80361106 PTTVLMSXSRZPDX-UHFFFAOYSA-N 323.356 2.148 0 40 DEAB O=C(NCCCN1CCN(c2ccccc2Cl)CC1)C1CC1 68124966 MDAXFHIVFNXACG-UHFFFAOYSA-N 321.852 2.378 0 40 DEAB COC(=O)c1cc(NCc2c(C)nn(C)c2OC)ccc1C 97048921 FYQNNUWDDUMUNO-UHFFFAOYSA-N 303.362 2.444 0 40 DEAB Nc1nc(N2CC=C(c3ccccc3F)CC2)c2[nH]cnc2n1 97094788 LWEQMRYTDQXMPG-UHFFFAOYSA-N 310.336 2.368 0 40 DEAB Cc1cnccc1NC(=O)N1CCN(Cc2cccnc2)CC1 97032427 GTPHLLHHLQTCEG-UHFFFAOYSA-N 311.389 2.135 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H](n3cccn3)C2)cc1F 69420658 QWPUOVJJJPLCMN-AWEZNQCLSA-N 317.364 2.437 0 40 DEAB O=C(C1=CCCC1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 306137540 QZGWVUSRDKOXPB-OAHLLOKOSA-N 314.385 2.331 0 40 DEAB CCc1nnc2n1CCN(Cc1nc(-c3ccco3)oc1C)C2 69511290 XPAHTSOBXQNRBQ-UHFFFAOYSA-N 313.361 2.413 0 40 DEAB C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1nccn1C 69535565 QJXIVNNCSVGKFU-CQSZACIVSA-N 302.397 2.266 0 40 DEAB Cc1cc(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)on1 71893709 VHLOHUZBRAQBLV-LLVKDONJSA-N 319.748 2.172 0 40 DEAB COC(=O)C[C@@H](NC(=O)NC1CC1)c1ccc(SC)cc1 69737930 BROHJTPYGMPUBQ-CYBMUJFWSA-N 308.403 2.474 0 40 DEAB CC(C)n1nnnc1S[C@H]1CCN(c2ccccc2F)C1=O 71899872 VCICERSUKFMUHZ-LBPRGKRZSA-N 321.381 2.291 0 40 DEAB O=C(c1ccc(Cl)o1)N1CCCN(c2cccnn2)CC1 69946852 APCFEKOTESWSLG-UHFFFAOYSA-N 306.753 2.076 0 40 DEAB O=C(c1cc2c(s1)CCOC2)N1CCC[C@H]1Cn1cccn1 69948623 CWPDYDYZPOWUKB-ZDUSSCGKSA-N 317.414 2.322 0 40 DEAB CN(CCN(C)c1ccccc1)C[C@H](O)COc1ccccc1 83860883 JOVRHCPTWRYSQQ-SFHVURJKSA-N 314.429 2.495 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CSc1ccccc1 71903707 NAOXOTJYFMQVPN-GFCCVEGCSA-N 315.460 2.060 0 40 DEAB CC(C)CCC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 72242269 ZYFMALREOFLAGL-HNNXBMFYSA-N 324.446 2.034 0 40 DEAB CC(C)(Sc1nnc(N)s1)C(=O)NC1CCCCC1 72333678 DQIIPIXMMXKCPY-UHFFFAOYSA-N 300.453 2.440 0 40 DEAB CC(C)n1ccc(CC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 72300282 IVZRZOOKGJQOGF-CYBMUJFWSA-N 301.394 2.136 0 40 DEAB O=C(CCc1ccc(O)c(Cl)c1)NCc1csc(=O)[nH]1 97377720 CUXLASSRXSNOFL-UHFFFAOYSA-N 312.778 2.044 0 40 DEAB Cc1cccc([C@H](C)N2CCCN(CC(=O)N(C)C)CC2)c1 72561814 HDYCJTUWDJKOHL-INIZCTEOSA-N 303.450 2.152 0 40 DEAB CC[C@H](O)CCNC(=O)NCc1ccc(Br)cc1 95418939 PMPYQONJQQCMLM-LBPRGKRZSA-N 315.211 2.409 0 40 DEAB CNC(=O)Cc1nc(C[S@@](=O)c2ccc(C)cc2C)cs1 95414511 ZEQHCUVHUXQZMS-NRFANRHFSA-N 322.455 2.356 0 40 DEAB O=C(Cc1ccon1)NC[C@H](O)c1cc2ccccc2s1 95417059 BZTKWGBJAMLLSG-LBPRGKRZSA-N 302.355 2.282 0 40 DEAB C[C@@H](c1cccc(O)c1)N(C)S(=O)(=O)N(C)[C@@H](C)C1CC1 95433044 ISTVZIAULBDUDM-RYUDHWBXSA-N 312.435 2.360 0 40 DEAB O=C(NC[C@H]1OCCc2sccc21)N1CC[C@@]2(CCOC2)C1 95410610 GYLVJBPYMONTGG-CZUORRHYSA-N 322.430 2.184 0 40 DEAB O=C(CNC[C@H]1CCCO1)Nc1ccnn1C1CCCCC1 95971646 PULQZDCNMAQJOM-CQSZACIVSA-N 306.410 2.095 0 40 DEAB CN(CCOCc1ccccc1)C(=O)c1nccn2ccnc12 89346332 KIRXRTVPXANURZ-UHFFFAOYSA-N 310.357 2.018 0 40 DEAB O=C(NCCc1nncn1C1CC1)C1C2CC3CC(C2)CC1C3 89885499 XBPOOXKHJFERHO-UHFFFAOYSA-N 314.433 2.344 0 40 DEAB O=C(NCCc1ccccn1)Nc1nnc(C(F)(F)F)s1 89883694 BPCGTUUAGCYPBT-UHFFFAOYSA-N 317.296 2.316 0 40 DEAB CCOc1nnc(CN2CCC[C@@H]2c2noc(CC)n2)s1 75573263 GKXURXLETJSOLW-SECBINFHSA-N 309.395 2.219 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccnc3)o2)n1 28576138 DLPQQOJHLXMCSG-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB O=C(O)[C@@H](Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O 64875755 BIWYGSFMZHDGCK-CYBMUJFWSA-N 301.342 2.002 0 40 DEAB CCOc1ccc(-n2c(C)nnc2SCC(=O)OC)cc1 409105000 HKMRKCAKONJCSS-UHFFFAOYSA-N 307.375 2.240 0 40 DEAB N=C(N)NCc1c(Br)cccc1Br 228914784 DEQLOVNVRCCANA-UHFFFAOYSA-N 306.989 2.195 0 40 DEAB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 36101774 PBTXLLFGSHGFNT-UHFFFAOYSA-N 324.789 2.257 0 40 DEAB Cc1ccn(CC(=O)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 71195886 OVPQRWPKHFFLRH-AWEZNQCLSA-N 315.421 2.337 0 40 DEAB CCc1nccn1-c1cccc([C@@H]2CCCN(CCO)C2)n1 72355674 AKPQOEUQKKRGED-CQSZACIVSA-N 300.406 2.001 0 40 DEAB CN(CC1CC1)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 72251312 VOMJVWPCZVIUHH-GDBMZVCRSA-N 304.365 2.214 0 40 DEAB COC(=O)c1[nH]c(C)cc1NC(=O)c1ccc2c(c1)OCCO2 78777633 WTQNGPKZNXAXCX-UHFFFAOYSA-N 316.313 2.133 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)CC2(O)CCCCC2)C1 73761234 CJCGDZYBNUPSKZ-HUUCEWRRSA-N 324.465 2.271 0 40 DEAB Cc1cc(C2CCN(C(=O)C[C@@H]3CCCNCC3)CC2)n[nH]1 566559958 GRIYWLIFRNBEMR-CQSZACIVSA-N 304.438 2.204 0 40 DEAB COC(=O)[C@H]1CC[C@@H](c2nc(-c3ccc(F)c(F)c3)no2)O1 189153744 YQJHINJWZSEHQT-WDEREUQCSA-N 310.256 2.408 0 40 DEAB COC[C@@]1(C(=O)O)CCCN(c2ncnc3scc(C)c23)C1 563215266 ZWGBONUOSSBIQO-OAHLLOKOSA-N 321.402 2.317 0 40 DEAB CN1CCC[C@H](C(=O)NCc2ccc(-c3cccnc3)cc2)C1=O 570667904 GXQBSMODIKSEOT-QGZVFWFLSA-N 323.396 2.233 0 40 DEAB C[C@H](CNC(=O)Cc1ccccc1F)NC(=O)OC(C)(C)C 194817506 FSGSOYDKZSLVHX-LLVKDONJSA-N 310.369 2.398 0 40 DEAB O=C(C[C@H]1CNCCO1)N[C@@H](Cc1ccccc1)c1ccccc1 195543076 LHOWUGVULVBEJA-OALUTQOASA-N 324.424 2.465 0 40 DEAB C[C@@H](C(=O)N(C)C)S(=O)(=O)N1CCCCCc2ccccc21 573910295 WILCGKRAQPXPCV-ZDUSSCGKSA-N 324.446 2.026 0 40 DEAB COc1cc(OC)cc(-c2nnc(S[C@H](C)C(=O)O)[nH]2)c1 224973590 ZUUOWLPICXPMQM-SSDOTTSWSA-N 309.347 2.054 0 40 DEAB OCCOc1cncc(N2CC[C@H](c3c(F)cccc3F)C2)n1 195571671 PUSXGNXGEJKULY-NSHDSACASA-N 321.327 2.120 0 40 DEAB O=C(N[C@@H]1Cc2ccccc2[C@@H]1O)[C@H](O)c1ccccc1Cl 195547557 WJRLRKICQPUANY-OWCLPIDISA-N 317.772 2.148 0 40 DEAB O[C@@H](CN1CCO[C@H](c2nccs2)C1)c1ccccc1F 97199884 DKZRQEUJDRXXSI-KBPBESRZSA-N 308.378 2.389 0 40 DEAB COc1cccc(Br)c1OC(=O)c1ccnn1C 96482587 AYCGMQWPEVXRKF-UHFFFAOYSA-N 311.135 2.410 0 40 DEAB Cc1cccc(S(=O)(=O)CCCNC(=O)C2CCCC2)c1 96485841 XWHMDNOVVVFHPN-UHFFFAOYSA-N 309.431 2.465 0 40 DEAB O=C(Cc1ccccc1)N1CCn2cc(CN3CCCC3)nc2C1 96197228 DYLJERQKBYBSAE-UHFFFAOYSA-N 324.428 2.064 0 40 DEAB COc1ccc(CC(=O)NCCCc2nnc3ccccn23)cc1 95477055 NXIKORQIRUFUCO-UHFFFAOYSA-N 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O=C(N[C@@H]1CCN(Cc2ccccc2)C1=O)[C@@H]1C[C@H]2CC[C@H]1C2 106516238 AQSBAXMVGQBSDQ-MWDXBVQZSA-N 312.413 2.340 0 40 DEAB C[C@@H](CO)CS[C@H](C(N)=O)c1cccc(Br)c1 95448536 KHXGPVIRABHUNE-KWQFWETISA-N 318.236 2.337 0 40 DEAB O=S(=O)(N[C@H]1C[C@H]2CC[C@H]1O2)c1c(F)cccc1Cl 108397664 PUPWIHNXEWISAN-PPKCKEKNSA-N 305.758 2.077 0 40 DEAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 71280438 OKAMFMVXEIERJY-QWHCGFSZSA-N 301.298 2.088 0 40 DEAB COC(CNc1ncnc2c1oc1nc(C)c(C)cc12)OC 71279110 MQBCHQHSXREEEX-UHFFFAOYSA-N 302.334 2.419 0 40 DEAB C[C@@H](NC(=O)N1CCC1)c1cc(F)ccc1N1CCC(O)CC1 72271376 WNSMQGOTCDFXOE-GFCCVEGCSA-N 321.396 2.263 0 40 DEAB COc1ccc(S(=O)(=O)Cc2noc(C(C)(C)C)n2)cc1 44947799 VIXAQDWXKRZMKL-UHFFFAOYSA-N 310.375 2.350 0 40 DEAB CC(=O)N[C@@H](CC(=O)N(C)Cc1ccncc1)c1cccs1 44916204 ZLKYYRWMMVVTBX-AWEZNQCLSA-N 317.414 2.369 0 40 DEAB C[C@H](NC(=O)CCc1nnc(-c2ccccc2)o1)[C@@H]1CCCO1 27871300 DYFAGHGEOMFYPV-JSGCOSHPSA-N 315.373 2.353 0 40 DEAB O=C(NCCc1ccc(O)cc1)Nc1cccc(-n2ccnn2)c1 95435750 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Cc1cccc(C)c1NCC(=O)NCCc1nnc2ccccn12 75146616 JKMYPJUSYKRYQF-UHFFFAOYSA-N 323.400 2.117 0 40 DEAB CC(=O)Nc1nc(CN[C@H](C)[C@@H](C)n2cc(C)cn2)cs1 75133938 ZWDXMZJETYEUTL-GHMZBOCLSA-N 307.423 2.346 0 40 DEAB Nc1ccnc(CNc2nccc(OCc3ccccc3)n2)n1 89601447 FGDQEUNFIVCQQA-UHFFFAOYSA-N 308.345 2.040 0 40 DEAB O=C1[C@H](NC[C@H]2CCCn3ccnc32)CCN1c1ccccc1 89845610 LHRMDPPDGZJSCV-GDBMZVCRSA-N 310.401 2.156 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2c(C)nn3cccnc23)C12CCC2 89985807 YUGCMUIFBUFDRX-QWHCGFSZSA-N 314.389 2.115 0 40 DEAB CCC[C@]1(CO)CCCN1C(=O)c1nn(C)c2ccccc12 75874481 CDSQYMKFLXEGBG-QGZVFWFLSA-N 301.390 2.341 0 40 DEAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@@H]1C[C@H]2CC[C@H]1O2 110681814 ITCHTLCTQHPZPA-DNNBLBMLSA-N 315.417 2.356 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H](c1ccco1)N(C)C 43137841 VZZOXXWBZQKYCG-AWEZNQCLSA-N 320.393 2.329 0 40 DEAB CC(C)CCN1C[C@H](C(=O)Nc2nnc(C3CC3)s2)CC1=O 36359287 RVTPHPWKZUSAHT-LLVKDONJSA-N 322.434 2.249 0 40 DEAB CC(C)(C)NS(=O)(=O)c1cc(C(=O)O)ccc1NC1CC1 217433050 HLHZLTLQDAGANN-UHFFFAOYSA-N 312.391 2.036 0 40 DEAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 72227586 ZMGAFQKJEGUXMI-LSDHHAIUSA-N 316.744 2.484 0 40 DEAB O=C(O)[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccccc1 218454653 BNHOMUKBBPCQMG-KFWWJZLASA-N 320.341 2.466 0 40 DEAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2ncc[nH]2)C1 77301654 MIYXKNNLVCTGBK-AWEZNQCLSA-N 323.400 2.315 0 40 DEAB COc1ccccc1OCC(=O)NCC1(N(C)C)CCCC1 46701442 DIJNHPROAJWNNR-UHFFFAOYSA-N 306.406 2.065 0 40 DEAB COc1ccc(S(=O)(=O)NCCCOC(C)C)c(C)c1C 223219461 MLVLZOOEYBRBRF-UHFFFAOYSA-N 315.435 2.405 0 40 DEAB Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)O)nn1-c1ccccc1 136472217 AFCQPZBKWKGMJK-OAHLLOKOSA-N 313.357 2.260 0 40 DEAB CC(C)CN1C[C@@H]2CN(Cc3cccnc3)CCN2C(C)(C)C1 514288858 GCEPPMGQVFMMPI-SFHVURJKSA-N 316.493 2.318 0 40 DEAB biogenic,in-vitro Cc1noc(C)c1CN1CC[C@@H]2[C@@H]1CCN2CC1CCOCC1 96184432 JYBBKNRVHOJWIE-MSOLQXFVSA-N 319.449 2.367 0 40 DEAB CN1CC[C@H](NC(=O)NCC(C)(C)c2cccc(Cl)c2)C1=O 96415349 PAAZZZSWAKIFAY-ZDUSSCGKSA-N 323.824 2.148 0 40 DEAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cnn(C)c1)[C@H]2C 96201201 DKARPMWNLWXCEO-AWEZNQCLSA-N 316.453 2.034 0 40 DEAB Cc1nnc(C[C@@H]2OC[C@H]3CN(Cc4ccc(C)o4)CC[C@@H]23)[nH]1 96207769 YMPCTCKOULBTRN-BMFZPTHFSA-N 316.405 2.094 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1 96105778 MPZASHSNYZRMNI-ZDUSSCGKSA-N 307.365 2.483 0 40 DEAB O=C(O)c1ccc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 96515994 IIJWBBNPTQFZPR-ZBFHGGJFSA-N 324.380 2.166 0 40 DEAB COC[C@H]1CN(C(=O)N[C@H](C)Cc2ccc(C)s2)CCO1 96440658 RVPQATZQJAJXHY-DGCLKSJQSA-N 312.435 2.044 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cncn1-c1ccccc1)C2 97199224 OOKROCLZWFWQQS-CQSZACIVSA-N 321.384 2.122 0 40 DEAB C[C@H]1[C@@H](C)N(C(=O)[C@H]2SCCc3ccccc32)CC[S@@]1=O 96431171 CLDODWKJFHCFIV-LSPFPRMESA-N 323.483 2.385 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc3ccccc3n1)C2 97198441 LTSUPZIDENYDHG-AWEZNQCLSA-N 306.369 2.485 0 40 DEAB CCSc1ccc([C@@H](C)NCC(=O)N2CCOCC2)cc1 96491540 AOOWBQVPTNZYTQ-CYBMUJFWSA-N 308.447 2.308 0 40 DEAB CCn1ccc2ccc(NC(=O)N[C@H](C)Cn3cncn3)cc21 96435090 KWOXVQRKXOSMSJ-GFCCVEGCSA-N 312.377 2.463 0 40 DEAB CNc1nccc([C@@H]2CCCCN2Cc2cnc(OC)nc2)n1 257264698 LVRZWRCSZCRWHV-AWEZNQCLSA-N 314.393 2.044 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 358683053 OUFWDBWTGPBQHH-UHFFFAOYSA-N 316.332 2.479 0 40 DEAB O=C1N[C@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CS1 280687451 NAVUHZMTVPGWTB-XROYCOCOSA-N 314.769 2.276 0 40 DEAB CO[C@@H]1COC[C@@H](N(C)Cc2ccc3ccccc3c2)[C@@H]1O 585292084 WTXFRLBORXQFKO-KURKYZTESA-N 301.386 2.046 0 40 DEAB O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC(F)(F)CC1 684519706 HHPIQPBRSZUKLB-OAHLLOKOSA-N 324.371 2.145 0 40 DEAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)NC(N)=O)cc1 75121511 IDDZCCJPIYSZCM-SWLSCSKDSA-N 319.405 2.196 0 40 DEAB O=C(Nc1cn[nH]c1)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1 75582011 SQFSUBLCRGXWPL-UHFFFAOYSA-N 311.345 2.420 0 40 DEAB CCc1nc([C@@H]2CCCN2c2ncc(C(N)=O)cc2Cl)no1 75609842 PCNRQIFQUQLYTR-JTQLQIEISA-N 321.768 2.121 0 40 DEAB Cc1cc(C)n(CC2CCN(C(=O)NCC(F)(F)F)CC2)n1 95995015 SMHJWSYJKLGOHW-UHFFFAOYSA-N 318.343 2.484 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3c(C)nn(C)c3C)C2)n1 105885582 NHOSDFCGNIXXBD-MRXNPFEDSA-N 316.453 2.157 0 40 DEAB O=C(OCC(=O)N1CCC(c2ccccc2)=N1)c1ccccc1O 5078628 LQDWXWRQJQFWOG-UHFFFAOYSA-N 324.336 2.186 0 40 DEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3ccco3)cc2n1 12337010 ZZFBZYXXQZTADV-GFCCVEGCSA-N 312.329 2.314 0 40 DEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCCc1ccccc1 13305514 SIODRMJQKZHZOR-UHFFFAOYSA-N 319.382 2.214 0 40 DEAB O=C(NCCC1=CCCCC1)c1cnc2sccn2c1=O 15536040 SBOQOLNYRYJDRR-UHFFFAOYSA-N 303.387 2.376 0 40 DEAB O=C(C1CC1)N1C[C@@H]2CCC[C@H](C1)C2(O)c1cccnc1F 19293167 LHROIIDGKMLEDB-MPYYAJLASA-N 304.365 2.077 0 40 DEAB CCOC(=O)c1c(CN2CCOCC2)oc2ccc(OC)cc12 19798460 BVCZCUNFEILSMQ-UHFFFAOYSA-N 319.357 2.450 0 40 DEAB CSc1ccc([C@H]2C=C(C(=O)O)Nc3nc(C)nn32)cc1 19962471 XUUJTJGNQWBTEJ-GFCCVEGCSA-N 302.359 2.292 0 40 DEAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(C)C1=O 6440357 OELPCRIFLBLLOX-WUXMJOGZSA-N 309.343 2.379 0 40 DEAB O=C(NCC1CCN(C2CCOCC2)CC1)c1cccs1 225561641 UYDZDCYJRFWWEX-UHFFFAOYSA-N 308.447 2.369 0 40 DEAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccnc1O 17974128 PQIWFDIMKVBHAB-UHFFFAOYSA-N 313.357 2.115 0 40 DEAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)[C@H]1CCOC1 238942667 WDCLWQDHWGPKDX-XHDPSFHLSA-N 323.439 2.198 0 40 DEAB COc1cccc2c(=O)n(CC(=O)NCc3ccccc3)ccc12 2712190 XEVGMMQESKTKSR-UHFFFAOYSA-N 322.364 2.327 0 40 DEAB Cc1cc(-c2noc(CNC(=O)c3ccc(C)s3)n2)no1 575616513 LRMAEXDBNPJUKT-UHFFFAOYSA-N 304.331 2.333 0 40 DEAB O=C(NCc1nccnc1-c1cccnc1)c1ccncc1F 585150451 QFZZDINQVQYIIR-UHFFFAOYSA-N 309.304 2.003 0 40 DEAB O=C(NCC[C@H](O)c1ccco1)c1cc(-c2ccco2)on1 77110951 ZGJNZMMPGAGMMX-NSHDSACASA-N 302.286 2.381 0 40 DEAB O=C(N[C@@H](COCc1ccccc1)c1ccccc1)c1c[nH]nn1 96419331 DVRRGHJSBPKAQF-KRWDZBQOSA-N 322.368 2.493 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)CNCCN(C)C 22921040 VNGPPNKOGGGUCT-INIZCTEOSA-N 308.466 2.183 0 40 DEAB Nc1nc(N)nc(CSCc2cc(-c3ccccc3)no2)n1 30525285 PXZNYTFWWHOJOX-UHFFFAOYSA-N 314.374 2.124 0 40 DEAB CCCCCNC(=O)c1nn(-c2ccc(C)c(C)c2)nc1CO 21149154 PCIHXAXGJBLLQT-UHFFFAOYSA-N 316.405 2.296 0 40 DEAB CCCc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)[nH]n1 32754695 IKYLLOZYCWBKSQ-QGZVFWFLSA-N 312.417 2.491 0 40 DEAB Cc1ccccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 102352984 YISKJLULZGDHLG-BETUJISGSA-N 300.358 2.109 0 40 DEAB CCc1nc(COC(=O)Cn2c(=O)oc3ccccc32)cs1 22987813 PPKWXRUZBYVBDB-UHFFFAOYSA-N 318.354 2.357 0 40 DEAB O=C1c2cc(F)c(N3CCCC3)c(F)c2SC2=NCCN12 1424420 STNVTYBGUDDJAU-UHFFFAOYSA-N 309.341 2.483 0 40 DEAB O=C(C1=COCC1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 78901755 POPPEZZMDYGTRT-VIFPVBQESA-N 315.295 2.439 0 40 DEAB CCOC(=O)C1=C(N)Oc2[nH]nc(C)c2[C@H]1c1cccs1 4555689 RUCRZTUNYQTNQN-SNVBAGLBSA-N 305.359 2.037 0 40 DEAB CN(Cc1cnccn1)[C@@H]1CCCN(Cc2ccccc2)C1=O 89908562 GOFRCJPTUKZQFD-QGZVFWFLSA-N 310.401 2.100 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)s1)CC2 89986458 IWCPKDBMGJRZPI-KGLIPLIRSA-N 309.431 2.449 0 40 DEAB Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1cccc(F)c1 6679941 MBONDVMFMVMXML-UHFFFAOYSA-N 314.363 2.095 0 40 DEAB CC(C)NC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1 6762616 NXQWNMWSBQYQDV-UHFFFAOYSA-N 317.370 2.088 0 40 DEAB O=C(Cn1cc(Br)cn1)NCc1ccc(F)cc1 47902383 ZMWDVVMHZDYBLW-UHFFFAOYSA-N 312.142 2.101 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)NCCn2ccnc2)cc1 43311975 IHKAUTYGDCTCKT-INIZCTEOSA-N 314.389 2.438 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2cnc3[nH]nc(C)c3c2)C12CCC2 76022823 MFFYHBQWMYIVHB-ZIAGYGMSSA-N 314.389 2.344 0 40 DEAB CCOCCO[C@H](C)C(=O)Nc1ccc(-n2ccnc2)cc1 57450556 HWNRQGNRVYXSCK-CYBMUJFWSA-N 303.362 2.252 0 40 DEAB CCCCN(CC(N)=O)c1cc(CC)nc(-c2ccncc2)n1 84744374 VBORNGZNNWQTPM-UHFFFAOYSA-N 313.405 2.193 0 40 DEAB CC[C@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1N1CCOCC1 84736093 FYDIBTPJLIZARK-NWDGAFQWSA-N 312.797 2.116 0 40 DEAB COc1cccc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)c1 48275486 IOPXHZZAVTVDEG-LBPRGKRZSA-N 302.378 2.270 0 40 DEAB O=S(=O)(NCc1ccccc1N1CCCC1)N1CCCCC1 48275867 LHZATVFXBSDEPL-UHFFFAOYSA-N 323.462 2.107 0 40 DEAB O=S(=O)(NC[C@@H]1CCCNC1)c1cc(Cl)ccc1Cl 44502198 BGALBXYBCVFDTR-SECBINFHSA-N 323.245 2.271 0 40 DEAB Cc1cnn(-c2ccc(C(=O)Nc3nnc4ccccn34)cc2)c1 44500800 GQWLCURSNXEOQF-UHFFFAOYSA-N 318.340 2.476 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1cnc2ccccn2c1=O 48263176 SRJQEIDACGGJDW-GFCCVEGCSA-N 311.341 2.039 0 40 DEAB CC[C@@](C)(NC(=O)Cc1coc(-c2ccccc2)n1)C(=O)OC 58192558 WEFKZRTUCNGXNM-QGZVFWFLSA-N 316.357 2.342 0 40 DEAB COc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 100744276 WKXASDAMCFZKKX-GSQXNIGASA-N 313.353 2.403 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)CN2CCCCC2=O)c1 44913659 SNMUCQTWLLLUOU-UHFFFAOYSA-N 320.389 2.435 0 40 DEAB Cc1noc(C)c1Cc1ccc(C(=O)NCCn2cccn2)o1 28241920 WHXCPXYNCHFUTD-UHFFFAOYSA-N 314.345 2.102 0 40 DEAB Cn1cc(N2CCC[C@@H](Sc3ccc(Cl)nn3)C2=O)cn1 95401571 SBRVVOFXBZTJDF-SNVBAGLBSA-N 323.809 2.151 0 40 DEAB CN(C)C(=O)CCNC(=O)c1cc(-c2cccc(Cl)c2)no1 58332768 UKNIAHFHYRNKRI-UHFFFAOYSA-N 321.764 2.203 0 40 DEAB CCOC(=O)c1ccc(OC[C@@H](O)CN2CCCCC2)cc1 12895931 HFDXZTCCLWNMBB-HNNXBMFYSA-N 307.390 2.089 0 40 DEAB CSC[C@@H](C)N(C)CC(=O)Nc1nnc(C(C)(C)C)s1 95424376 MTHSOMGPSOVUGP-SECBINFHSA-N 316.496 2.457 0 40 DEAB COc1ccc(C(=O)NC2(C(=O)O)CCCCC2)cc1OC 13168225 XATWQPYSEZELKQ-UHFFFAOYSA-N 307.346 2.221 0 40 DEAB Cc1c(CCC(=O)O)c(C)n2c(nc3ccccc32)c1C(N)=O 3882620 LLGUEYOQSHWHHN-UHFFFAOYSA-N 311.341 2.220 0 40 DEAB CCOc1ccc(NC(=O)NCCNc2ncccn2)cc1C 64764183 QXRICAGQVLUQBC-UHFFFAOYSA-N 315.377 2.417 0 40 DEAB CC(C)(C)NC(=O)COc1ncnc2sc3c(c12)CCC3 39562692 JXYMVVJYUHCYTG-UHFFFAOYSA-N 305.403 2.474 0 40 DEAB Cc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccccc1 4206041 CCEGNRQMNOCQTN-UHFFFAOYSA-N 305.355 2.172 0 40 DEAB CCc1nnc2n1C[C@H](N[C@@H](C)c1nc(C(C)C)no1)CC2 65457761 FQYVCBUAVWAASS-WDEREUQCSA-N 304.398 2.013 0 40 DEAB COc1ccc(CN(C)Cc2cc(=O)n3ccsc3n2)cc1 14167302 LLNSEWAFWZGGIH-UHFFFAOYSA-N 315.398 2.397 0 40 DEAB Cc1ccccc1NC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 14140036 VQEPHHCHZJPVDM-UHFFFAOYSA-N 323.352 2.027 0 40 DEAB Cn1cc([C@@H]2NC(=O)c3cccnc3N2)c(-c2cccs2)n1 93882807 UXBJOVGBQUWBJI-AWEZNQCLSA-N 311.370 2.398 0 40 DEAB CCn1cc(NC(=S)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C(N)=O)n1 6961591 FNNRRGSJWQEKJA-GARJFASQSA-N 323.466 2.113 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCc1nc(CC(C)C)no1 71794368 UPZGNKLDBPASTH-UHFFFAOYSA-N 306.318 2.195 0 40 DEAB COc1ccccc1C(=O)OCC(=O)NCc1ccccc1C 7195641 CIEGGEAYPNRYTO-UHFFFAOYSA-N 313.353 2.477 0 40 DEAB O=C(Nc1cc(F)ccc1OCC(F)(F)F)N1CC[C@@H](O)C1 88350671 RFAJSLBPJIBULX-SECBINFHSA-N 322.258 2.365 0 40 DEAB CCc1ccc([C@H](C)N[C@@H]2CCc3nc(COC)nn3C2)o1 90395669 OZFRWXUHTNHFKC-NWDGAFQWSA-N 304.394 2.246 0 40 DEAB Cc1noc(C2CCN(C(=O)c3cncnc3C(C)C)CC2)n1 71823495 WSIPSVPRXFIIHL-UHFFFAOYSA-N 315.377 2.311 0 40 DEAB Cc1ccc(CC(=O)N2CCC[C@@H]2Cn2nc(C)cc2C)cn1 71870213 PMVDGWXIDJTDHB-QGZVFWFLSA-N 312.417 2.437 0 40 DEAB CCCn1c(S[C@@H](C)C(=O)c2ccc(F)cc2)n[nH]c1=O 7532033 PUZZZXYLZKRJKW-VIFPVBQESA-N 309.366 2.484 0 40 DEAB CC(C)c1ccc(NC(=O)COC(=O)c2cc[n+]([O-])cc2)cc1 7681894 PYAIYBXRYRRWQC-UHFFFAOYSA-N 314.341 2.239 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H](C)c1cc(C)oc1C)C2 71864871 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CCn1cc(C(=O)N(CCCO)[C@H]2CCc3ccccc32)cn1 97046172 XLXSCLSDQAVNTE-KRWDZBQOSA-N 313.401 2.415 0 40 DEAB CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccc3)s2)C1 97085921 ILAXKSJJSOOQFA-CQSZACIVSA-N 316.430 2.234 0 40 DEAB Cc1noc([C@H]2COCCN2C(=O)N2[C@@H](C)CCC[C@H]2C)n1 97084779 LSIFIEHACITUOD-NTZNESFSSA-N 308.382 2.134 0 40 DEAB O=C(CCCOCc1ccccc1)N[C@H]1CCc2nccn2C1 72278544 AVLQGLIEXNIBBC-INIZCTEOSA-N 313.401 2.311 0 40 DEAB COC[C@@H](O)CN(C)C(=O)c1ncoc1-c1ccccc1Cl 87450543 VCALSUZNNMFYNT-JTQLQIEISA-N 324.764 2.074 0 40 DEAB COC(=O)N1CCC(Nc2noc(-c3ccccc3)n2)CC1 97108529 BDRLKUFSMKAAJZ-UHFFFAOYSA-N 302.334 2.379 0 40 DEAB O=C1COc2cc(NCc3cnn(-c4ccccc4)n3)ccc2N1 97375364 JKAPATHTAQDMSQ-UHFFFAOYSA-N 321.340 2.210 0 40 DEAB CN1CC[C@H](SCc2nc(Cc3ccc(F)cc3)no2)C1=O 89375049 LPWBUTRICVEFKE-LBPRGKRZSA-N 321.377 2.263 0 40 DEAB C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)c2cccnc2O1 89941266 IDIHYZTZSWPAON-SNVBAGLBSA-N 308.334 2.197 0 40 DEAB CCCn1nc(C)c(C(=O)N2CCC3(CC2)OC[C@@H](C)O3)c1C 89960624 LQKNKPJHGPJSSJ-GFCCVEGCSA-N 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40 DEAB C[S@@](=O)c1ccc(NC(=O)c2[nH]nc3c2CCCC3)cc1 76066169 CFBNDPGTZVKWPY-NRFANRHFSA-N 303.387 2.278 0 40 DEAB FC(F)(F)CN1CC[C@@H](NCCc2ccc3c(c2)CCO3)C1 88723881 XXKWKLIJJWZXLQ-CQSZACIVSA-N 314.351 2.390 0 40 DEAB O[C@H](CSCc1ccccc1Cl)CN1CCOCC1 190677919 KFRCEYVDXWWCKG-ZDUSSCGKSA-N 301.839 2.266 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](n2c(O)nc3cccnc32)C1 575444730 FXDAEVTTXIUVMR-JTQLQIEISA-N 304.350 2.319 0 40 DEAB O=C(c1ccccc1F)N1CCC(Oc2ncc(F)cn2)CC1 1775973561 NYAVUDZGRNJMFI-UHFFFAOYSA-N 319.311 2.438 0 40 DEAB CC(C)CN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 12184789 LBIDGFVFAAZWIA-UHFFFAOYSA-N 304.438 2.020 0 40 DEAB COc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3CC3CC3)n2)cc1 15674720 IFQDJIZRDADNAR-HIFRSBDPSA-N 315.373 2.263 0 40 DEAB biogenic,in-vitro CCC(=O)N1CCO[C@H](c2c(C(N)=O)sc3ccccc23)C1 19697944 JIZNYWSZJSOJKL-NSHDSACASA-N 318.398 2.310 0 40 DEAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 169685312 INNBGZYVIPYMGZ-JTOWHCCKSA-N 313.353 2.308 0 40 DEAB COc1ccc([C@H](NC(=O)N(C)[C@@H](C)CO)C(F)(F)F)cc1 155142155 KVMDWIVJCPDGGE-CABZTGNLSA-N 320.311 2.321 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(Cn2ccnc2)cc1 159737668 KPBPDFPJYHAHBL-OAHLLOKOSA-N 313.357 2.011 0 40 DEAB Cc1c(Br)c(=O)oc2c3c(ccc12)OCC(=O)N3 3849516 SLRWHSMNBTWNOV-UHFFFAOYSA-N 310.103 2.195 0 40 DEAB biogenic CCOC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(C)=O 19721314 GRQUPOZYKRJTJD-GFCCVEGCSA-N 319.279 2.196 0 40 DEAB CCCNC(=O)COc1ccc(NC(=O)c2ccco2)cc1 5958319 FEQGIWDGJZVCHW-UHFFFAOYSA-N 302.330 2.437 0 40 DEAB Cc1cnccc1OCC1CCN(C(=O)C2CCOCC2)CC1 1889104496 VLIBOTPHUIOSQU-UHFFFAOYSA-N 318.417 2.434 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc2ccccc2c(=O)[nH]1 24991045 VJOMWJAYHBSDRF-AWEZNQCLSA-N 322.368 2.069 0 40 DEAB Cc1cc(C(=O)NC[C@H](c2ccsc2)n2cccn2)no1 575614590 XVVGYYYAHVAOMH-CYBMUJFWSA-N 302.359 2.260 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C)Sc2nnc(N)s2)C1 16684946 NLHPBIWXVFRKQC-IWSPIJDZSA-N 300.453 2.105 0 40 DEAB O=C(O)c1cncnc1/C=C/c1ccc(-n2cncn2)c(F)c1 40554063 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CCC[C@H](NCCCCCCN[C@H](CCC)C(=O)O)C(=O)O 4727222 DLQUALGIOPJZIQ-OKILXGFUSA-N 316.442 2.233 0 40 DEAB O=C(O)CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 6751398 BOBQOIJTZCZWLK-OAHLLOKOSA-N 312.325 2.413 0 40 DEAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2cccnc2)C1=O 6939112 FJCVELUSSBQEIE-QVIVLVACSA-N 320.370 2.460 0 40 DEAB CCOc1ccc(/C=C2/SC(=O)N(CCN)C2=O)cc1OC 3267954 IKAJVFJLZRKIQM-UKTHLTGXSA-N 322.386 2.089 0 40 DEAB CCOCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 8253189 CQOSZMPJQOLLAI-UHFFFAOYSA-N 322.449 2.496 0 40 DEAB CCOC[C@@H]1CCCN(C(=O)c2cc(CC(C)C)[nH]c(=O)c2)C1 97045168 UFQOFVXHIBXEFR-CQSZACIVSA-N 320.433 2.462 0 40 DEAB COc1cc(C=O)cc(Br)c1O[C@@H](C)C(=O)O 8497139 MUDVJGBXKHWZCK-LURJTMIESA-N 303.108 2.122 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@H](c1ccsc1)N(C)C 25330612 NMHYOKISYUJPPB-CQSZACIVSA-N 307.419 2.315 0 40 DEAB CCn1cc(NC(=O)NC[C@@H]2COc3ccccc3C2)cn1 43645993 YZNNEIAFPLVVFM-GFCCVEGCSA-N 300.362 2.276 0 40 DEAB COc1ccccc1[C@H](C)NC(=O)Cc1c(C)nn(C)c1C 25803261 YKGSXVZVCGFQHX-NSHDSACASA-N 301.390 2.465 0 40 DEAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCN2CCOCC2)cc1 134569781 FKLNHULKLPRZCZ-MRXNPFEDSA-N 318.461 2.437 0 40 DEAB COCc1ccccc1NC(=O)c1cnc2ccccn2c1=O 44550042 RFTYWFWYBQUOKI-UHFFFAOYSA-N 309.325 2.093 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc[nH]n3)C2)cc1 58192107 KKPFTWJVLUVLOH-AWEZNQCLSA-N 312.373 2.209 0 40 DEAB COc1ccc(-c2nnc(CN3C[C@@H](C)OC[C@H]3C)o2)cc1 44910823 BNRHKBFPCKQNRK-VXGBXAGGSA-N 303.362 2.354 0 40 DEAB Cc1csc([C@@H](C)CNC(=O)NCc2ccnc(C)n2)n1 97109836 PYIWAFNOBJKZBL-VIFPVBQESA-N 305.407 2.153 0 40 DEAB CCC1(CC)CC(=O)N(C[C@@H](O)COc2ccc(C)cc2)C1=O 28916179 KAEHEMPXDYVAJA-CQSZACIVSA-N 319.401 2.300 0 40 DEAB O=C1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CCN1 48315589 YVIXBJXEYRLBMG-UHFFFAOYSA-N 315.200 2.275 0 40 DEAB Cc1nc(CCNC(=O)NC[C@@H]2Cc3ccccc3O2)cs1 48302453 CPAAJIQKZJETJS-AWEZNQCLSA-N 317.414 2.297 0 40 DEAB O=C(CCc1ccco1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 104311236 JXACSEVZWOADEB-KBPBESRZSA-N 312.369 2.020 0 40 DEAB CN1CCC(C(=O)Nc2ccccc2C(=O)N2CCCC2)CC1 173813162 BDCBRJQWOHTLGU-UHFFFAOYSA-N 315.417 2.203 0 40 DEAB CCn1nc(C)c2c(C(=O)OC)cc(-c3cn(C)nc3C)nc21 2732315 PEAXPISDRKJWAE-UHFFFAOYSA-N 313.361 2.255 0 40 DEAB CS(=O)(=O)/N=C(\O)c1cccc(NC(=O)C2CCCCC2)c1 48481110 ASQXCZCDWBTZLP-UHFFFAOYSA-N 324.402 2.470 0 40 DEAB COCc1cc(C[C@@H]2C[C@H](NC3CCN(C)CC3)C2(C)C)no1 67889878 OUEWXYPQCVWYGO-DYVFJYSZSA-N 321.465 2.462 0 40 DEAB biogenic,in-vitro O=C(O)c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 13059762 DFMMHMGOLSUWIF-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB O=C(NC[C@H](CO)Cc1ccccc1F)c1ccnc(Cl)c1 72303103 DIGLLTKQLWSEAC-LLVKDONJSA-N 322.767 2.455 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 13692083 FEASANCYFXXSDI-AWEZNQCLSA-N 311.385 2.299 0 40 DEAB CCOC(=O)NC(=O)CNc1cc2c(cc1OCC)C[C@H](C)O2 9339069 BTCFMRUBMGECAX-JTQLQIEISA-N 322.361 2.093 0 40 DEAB CC1CCC(NC(=O)COCC(=O)NC2CCC(C)CC2)CC1 39969200 SEBVKGZALJVTFK-UHFFFAOYSA-N 324.465 2.393 0 40 DEAB Cc1ccc(Cl)cc1-n1ncc2c(NCCO)ncnc21 4354740 TVTSMNZCJKFDCT-UHFFFAOYSA-N 303.753 2.182 0 40 DEAB 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2.196 0 40 DEAB CCCC(=O)N1CCC[C@]2(C1)CN(c1ccccc1)C(=O)CO2 1615118828 DUOWGBUEUXHPMQ-SFHVURJKSA-N 316.401 2.211 0 40 DEAB CCn1nc(C(C)C)cc1C(=O)NCCN1CCC(C)CC1 19524128 AHJVZCKOINBFFM-UHFFFAOYSA-N 306.454 2.488 0 40 DEAB COc1ccc(C(=O)N2CCOCC2)nc1-c1ccc(F)cc1 19872963 ZCVQAMUGIBRLLH-UHFFFAOYSA-N 316.332 2.369 0 40 DEAB COC[C@@](C)(CNC(=O)c1ccccc1Br)OC 575612694 NURLCTONZAODPU-CYBMUJFWSA-N 316.195 2.230 0 40 DEAB Cc1cccc(OC[C@@H]2CCCN(Cc3nnc(C)n3C)C2)n1 1849304468 IVDSCHRZVZLWNE-OAHLLOKOSA-N 315.421 2.118 0 40 DEAB COc1nccnc1N1CCC(COc2ccnc(C)c2)CC1 1889108983 ZTUNTVFDNBUJAF-UHFFFAOYSA-N 314.389 2.484 0 40 DEAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1 16045375 CNSKQXLRVKHYMF-UHFFFAOYSA-N 313.357 2.109 0 40 DEAB C[C@@H](CN(C)C)NC(=O)c1cccc2[nH]c(-c3ccncc3)nc12 1690101435 HCAALGAOSBFHFP-LBPRGKRZSA-N 323.400 2.305 0 40 DEAB CCNC(=O)Cn1c(CO)cnc1SCc1ccccc1C 9827417 QOFVYQMYZBNSGE-UHFFFAOYSA-N 319.430 2.112 0 40 DEAB COCCO[C@@H]1CCN(C(=O)CCF)[C@H]1Cc1ccccc1 2055725618 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DEAB Cc1cc(=O)[nH]c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 103411768 JLIVOMGPVZMYEK-ZDEQEGDKSA-N 321.446 2.111 0 40 DEAB O=C(COC(=O)c1ccsc1)Nc1ccc2c(c1)OCO2 22536725 CTCYBHXAZKDZSG-UHFFFAOYSA-N 305.311 2.272 0 40 DEAB CN1CCN(CCCNC(=O)CCc2ccccc2Cl)CC1 61524394 AROJKSJTFCWJNP-UHFFFAOYSA-N 323.868 2.026 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(C)c2C)C1=O 2992904 MNPBBVQPCGXNPZ-GHXNOFRVSA-N 322.386 2.241 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)CCN1C(=O)COc2ccccc21 219046 NDRCUKOEPWSDJL-UONOGXRCSA-N 316.401 2.497 0 40 DEAB COc1ccc(CNC(=O)c2cnn3c(C)cc(C)nc23)cc1 820997 IBWBVCAPOOUNCB-UHFFFAOYSA-N 310.357 2.285 0 40 DEAB CCCc1noc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)n1 78890325 OCOBLJKSTGCWIS-MNOVXSKESA-N 304.398 2.362 0 40 DEAB Cc1nn(CC(C)C)c(C)c1CC(=O)N1C[C@H](C)[C@@H](N(C)C)C1 78895613 DOOLRUOYGMIHBE-GUYCJALGSA-N 320.481 2.107 0 40 DEAB COc1ccc2c(ccn2CC(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)c1 78894515 CFVSJHPZYGKMET-DYVFJYSZSA-N 315.417 2.058 0 40 DEAB Cc1cc(C)cc(OCC(=O)N(C)C2CCS(=O)CC2)c1 78986809 NZJWLGRWCWIOFO-UHFFFAOYSA-N 309.431 2.052 0 40 DEAB O=C1N[C@H](c2cccs2)N2C(=O)N[C@H](c3cccs3)N12 1716072 LTJCUQVZDYZPDX-UWVGGRQHSA-N 306.372 2.472 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)no1 79622609 JWXOVGNJQWTERX-LLVKDONJSA-N 312.329 2.448 0 40 DEAB O=C(NC[C@@H]1COCCO1)c1cccc2c3c([nH]c12)CCCC3 54618403 QROOXCDEMWXBJJ-GFCCVEGCSA-N 314.385 2.192 0 40 DEAB Cc1ccc(-c2nn(CN3CCOCC3)c(=S)n2C)cc1 23995231 WUXSPMDFXKFZMS-UHFFFAOYSA-N 304.419 2.216 0 40 DEAB CC(C)[C@@H](NC(=O)CCN1C(=O)CCC1=O)c1cccs1 24318758 ZGIKYFFEBXBHHG-OAHLLOKOSA-N 308.403 2.101 0 40 DEAB CCC[C@H](C)NC(=O)c1cnn(-c2ccc(OC)nn2)c1CC 24544956 KRVZWQAVZRXNRH-NSHDSACASA-N 317.393 2.152 0 40 DEAB CNC(=O)c1ccc(CNC(=O)Nc2ccccc2OC)cc1 24688280 ZUZMKFKJWYSPHQ-UHFFFAOYSA-N 313.357 2.377 0 40 DEAB CCCCn1nnnc1NCc1ccc(OC)c(OCC)c1 7262156 WSDAWXWEHLNEOR-UHFFFAOYSA-N 305.382 2.493 0 40 DEAB CCCC(=O)N1CCC[C@H]1C(=O)Nc1cccc2cn[nH]c12 55115533 LZBCCAAEIATJRL-ZDUSSCGKSA-N 300.362 2.293 0 40 DEAB CC(=O)Nc1nc(CN2CCC[C@@H](c3ccnn3C)C2)cs1 72270557 RSFHTYPSURXVPC-GFCCVEGCSA-N 319.434 2.215 0 40 DEAB C[C@H](CC(N)=O)NC(=O)CCSc1ccc(Cl)cc1 72297818 PZNONMSLRKNHIA-SECBINFHSA-N 300.811 2.202 0 40 DEAB CC[C@@H](C)NC(=O)CSc1nncn1-c1ccccc1F 8389416 CPKFWQSQJBFURQ-SNVBAGLBSA-N 308.382 2.413 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)[C@@H]3CCCCN3C(C)C)C2)no1 72294952 VUEUKPYBCJCJIY-GJZGRUSLSA-N 320.437 2.347 0 40 DEAB Cc1cnn([C@H](C)[C@@H](C)NCC(=O)NCCc2ccsc2)c1 72269822 FEIVGFANEWZJRP-ZIAGYGMSSA-N 320.462 2.151 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)N1CCCCC1 25404519 PVLMERBEDGATNZ-LBPRGKRZSA-N 319.405 2.467 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 107991193 MCWVISRVZDGKFF-CORIIIEPSA-N 322.430 2.367 0 40 DEAB CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2CN([C@H]3CCOC3)C[C@@H]21 107197461 WMXBXBUVRYSJLP-XGXHKWSGSA-N 315.461 2.403 0 40 DEAB Cc1nnc2s/c(=C\c3ccc(Cl)cc3Cl)c(=O)n12 9187948 SQZYDFGKTAVNFJ-WMZJFQQLSA-N 312.181 2.314 0 40 DEAB CC(=O)Nc1cc(C(=O)Nc2ccnc3ccnn23)ccc1C 108715887 WIVHECCOQNIIJE-UHFFFAOYSA-N 309.329 2.248 0 40 DEAB CCOc1ccc([C@@H]2NC(C)=C(C(=O)OC)NC2=S)cc1 103100383 WILMLXOXXKRSFJ-ZDUSSCGKSA-N 306.387 2.051 0 40 DEAB O=C(NCc1ccccc1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 3346616 NSEFXFVESGPWHR-GOSISDBHSA-N 322.408 2.394 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c1 3340894 BLGYQBNGKRLNMX-UHFFFAOYSA-N 315.373 2.188 0 40 DEAB NC(=O)c1ccc(C(=O)Oc2cccc(-n3cccn3)c2)cc1 72292115 VVKLXUYHUXWJCY-UHFFFAOYSA-N 307.309 2.190 0 40 DEAB CC[C@H](c1ccccc1)N1CCC[C@H](CNS(C)(=O)=O)C1 58201273 UZQNSJGOOZGFEN-GDBMZVCRSA-N 310.463 2.399 0 40 DEAB COCCn1cc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)cn1 44973162 JCDQCZHBYAXFLY-CYBMUJFWSA-N 319.365 2.195 0 40 DEAB C[C@@H]1COCCN1C(=O)COCc1nc2ccccc2s1 44912549 ADGJKQQWHNSXNO-LLVKDONJSA-N 306.387 2.060 0 40 DEAB CCCCCCC1(CCc2ccncc2)C(=O)NC(=O)NC1=O 59417330 IGLJNQFGICXRGH-UHFFFAOYSA-N 317.389 2.337 0 40 DEAB CCN(CC)C(=O)N1CCOC[C@@H]1CC(=O)c1cccs1 97144757 OEQWNQSOHADJFE-LBPRGKRZSA-N 310.419 2.484 0 40 DEAB Cc1nn(C)c(Oc2ccccc2)c1CN[C@@H](C)C(=O)N(C)C 58391349 GPPQAQGPLRDMQQ-ZDUSSCGKSA-N 316.405 2.087 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc2ccccc2oc1=O 48304212 KYYILKGYMCNFGM-CYBMUJFWSA-N 300.358 2.007 0 40 DEAB COc1ccc([C@@H]2C[C@@H](C)N(c3nc(N)nc4[nH]cnc34)C2)cc1 97115346 WKYBQQZNBPQLSY-ZYHUDNBSSA-N 324.388 2.326 0 40 DEAB CC(=O)Nc1cccc(C(=O)OCC(=O)N2CCCC[C@@H]2C)c1 3461657 AGXIPBPHNIJEMI-LBPRGKRZSA-N 318.373 2.203 0 40 DEAB CN1C[C@H](C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1=O 46126982 QBPNNTDNXAZPEE-SSDOTTSWSA-N 318.707 2.358 0 40 DEAB COc1ccc(Nc2nc3c(c(=O)[nH]2)CCCC3)cc1OC 11903455 VJFDAOOEOQETGJ-UHFFFAOYSA-N 301.346 2.410 0 40 DEAB Cn1nc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1=O 2656888 RVMBEIBYPILBSU-UHFFFAOYSA-N 319.364 2.300 0 40 DEAB O=C1C[C@H](C(=O)N2CCC[C@@H]2c2ccsc2)CN1C1CC1 46914396 QEKXDAHFGIAZQR-GXTWGEPZSA-N 304.415 2.423 0 40 DEAB Cc1c(Br)ccc(Nc2ncc(C)c(=O)n2N)c1C 408979527 MPPCPXUFMQLMBK-UHFFFAOYSA-N 323.194 2.388 0 40 DEAB CCOCc1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)o1 65477652 LLGBFIZQNYDJLW-UHFFFAOYSA-N 304.346 2.051 0 40 DEAB O=C1[C@@H]2[C@@H](N=NN2Cc2ccc(F)cc2)C(=O)N1c1ccccc1 4483599 HHHFRPXNRGDFQJ-CABCVRRESA-N 324.315 2.319 0 40 DEAB COC(=O)c1ccc(C)c(NC(=O)COc2cc(C)on2)c1 14021094 SSSCPTMSLBQQCD-UHFFFAOYSA-N 304.302 2.096 0 40 DEAB O=C(NCCc1coc(-c2ccccc2)n1)NC[C@H]1CCCO1 65518670 FXORTMVIMQVWGI-OAHLLOKOSA-N 315.373 2.362 0 40 DEAB Cc1ccc(CNC(=O)Cn2nc(C(C)(C)C)ccc2=O)cc1 65515481 DKUBNQJMOPRGCW-UHFFFAOYSA-N 313.401 2.166 0 40 DEAB CC(=O)NCCNC(=O)c1sccc1-c1ccc(F)cc1 66042004 TWBLYGXVUTXPSN-UHFFFAOYSA-N 306.362 2.420 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(OC)c1 6658137 PNRDNHRKDCHUOI-ABAIWWIYSA-N 307.346 2.088 0 40 DEAB in-vitro CCN(CC)S(=O)(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 66608217 MUSQZSMIKKDTPG-NXEZZACHSA-N 302.362 2.284 0 40 DEAB O=C1COc2ccc(C(=O)COC(=O)c3ccsc3)cc2N1 22536921 LIRWHARHFQXWOR-UHFFFAOYSA-N 317.322 2.119 0 40 DEAB Cc1cc2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C)oc2cc1C 96431204 CNYQLWGIFPHDIE-GFCCVEGCSA-N 321.398 2.309 0 40 DEAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)[C@H]1CCOC1 96486834 XKTYXOHCKQAMTB-PWSUYJOCSA-N 303.337 2.371 0 40 DEAB C[C@@H](CNC(=O)NCc1cccnc1)Oc1cccc(F)c1 80599331 SAGAVPMICSBZLF-LBPRGKRZSA-N 303.337 2.487 0 40 DEAB CCCN(CCO)C[C@H](O)CO[C@@H]1CCCc2ccccc21 68046035 GIUUXNINUHZYFZ-FUHWJXTLSA-N 307.434 2.146 0 40 DEAB COc1ccc(C)cc1CN(C)CC(=O)NCc1cccnc1 95395013 NTWUKXRYZRWTCF-UHFFFAOYSA-N 313.401 2.147 0 40 DEAB O=C(C1=CCCC1)N1Cc2cncn2[C@H](COc2ccccn2)C1 306123817 AXVPWJHEQDHBDM-INIZCTEOSA-N 324.384 2.351 0 40 DEAB C[C@H](NC(=O)COC(=O)[C@H]1CCCO1)c1cc2ccccc2o1 7694478 SBQXJHDKWGFGGV-SMDDNHRTSA-N 317.341 2.332 0 40 DEAB CCc1n[nH]c(SCc2cn3cccc(C(=O)OC)c3n2)n1 71880021 DDSAJMFCFLUONW-UHFFFAOYSA-N 317.374 2.094 0 40 DEAB CC1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 68717394 BJLYSDQQCWSYLM-NSHDSACASA-N 322.327 2.408 0 40 DEAB CC[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)C1 96502585 SEDXCQMEEPXURY-HIFRSBDPSA-N 316.405 2.019 0 40 DEAB Cn1ccc(NS(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)n1 71916541 RNRWFGFABVOMLZ-UHFFFAOYSA-N 321.189 2.110 0 40 DEAB CCN(CCC(=O)OC)C(=O)C1(c2ccc(C)c(OC)c2)CC1 69420946 JSECEYJPHWZFLP-UHFFFAOYSA-N 319.401 2.447 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCN1CCO[C@H](Cn2cccn2)C1 69491267 RTWLUVSCECBGJH-IXDOHACOSA-N 307.438 2.179 0 40 DEAB NC(=O)C[C@@H]1CCCN(CCOc2ccc(F)cc2Cl)C1 91675350 ZWBQPKWCNLLIGI-NSHDSACASA-N 314.788 2.445 0 40 DEAB CCNC(=O)CN(CC)C(=O)N[C@@H]1C[C@@H]1c1ccccc1Cl 69743278 ZSQIGNJKZCXKKV-TZMCWYRMSA-N 323.824 2.364 0 40 DEAB C[C@@H](O)CN1CCC(CN(C)c2ncnc3ccsc23)CC1 69901704 BKTDMSAGNYJNET-GFCCVEGCSA-N 320.462 2.220 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)C[C@@H]2C(=O)Nc3ccccc32)cn1 69948548 WBBWCSVCIYKTAR-GOEBONIOSA-N 324.384 2.210 0 40 DEAB CCNC(=O)COc1c(F)cc(Br)cc1C(C)=O 97085594 ZPTDUDWLKWEIGH-UHFFFAOYSA-N 318.142 2.306 0 40 DEAB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1Cl 19231545 BCASULWFHPZNBV-UHFFFAOYSA-N 312.174 2.378 0 40 DEAB in-vitro C[C@H](c1nnnn1-c1ccccc1)N(C)CCc1nccs1 95435433 DKIZIDBVPURENQ-GFCCVEGCSA-N 314.418 2.354 0 40 DEAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)N(C)C[C@@H]1CCOC1 95408163 KBFUGVCWKUWTCV-DZGCQCFKSA-N 304.390 2.415 0 40 DEAB O=C(CCC(=O)c1ccc(F)cc1)NCc1noc(C2CC2)n1 95449665 OHJDSBGVDPOVRJ-UHFFFAOYSA-N 317.320 2.365 0 40 DEAB CC(=O)NC[C@H](C)OC(=O)c1ccc(F)cc1Br 95436884 YNTDZQVLLCIXGX-ZETCQYMHSA-N 318.142 2.270 0 40 DEAB C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1Cl)C1CCCC1 95960539 ZTRVMCHDPTZHDS-MRXNPFEDSA-N 324.808 2.336 0 40 DEAB CCN(CC)c1ccc(C(=O)NCCc2nncn2CC)cc1 75140831 NRZMJXFFZQNFPC-UHFFFAOYSA-N 315.421 2.117 0 40 DEAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCCCO[C@@H]2CCOC2)s1 89656424 RTSXLHRDYTXMNO-MGPQQGTHSA-N 309.431 2.472 0 40 DEAB Cn1cc(CSc2nnc(N3CCCCC3)n2C2CC2)nn1 89756638 JAOPMISWHDDYID-UHFFFAOYSA-N 319.438 2.024 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(c1nc(C3CC3)ns1)CC2 89986590 NLTLIMLZDUZREP-NWDGAFQWSA-N 309.435 2.172 0 40 DEAB CC(C)c1nc(C(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cs1 76053601 DWADPDYSPMANTA-GXTWGEPZSA-N 323.462 2.059 0 40 DEAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc[n+]([O-])c1 23100887 BELXKQDBXBJIOB-MRXNPFEDSA-N 314.341 2.130 0 40 DEAB CC(C)(C)OC(=O)N1CCOC[C@]12COc1ccc(N)cc12 306145919 VXFIIHNOVKYEFH-MRXNPFEDSA-N 306.362 2.124 0 40 DEAB O=C1CCSC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)N1 75171250 JWMBHBHNHUPTOW-SNVBAGLBSA-N 302.758 2.039 0 40 DEAB Nc1nc(Cl)c(N)c(NCc2ncc(-c3ccccc3)[nH]2)n1 1559079466 WVIDAIKMAHEVSN-UHFFFAOYSA-N 315.768 2.297 0 40 DEAB CC(C)(C)c1coc([C@@H]2COCCN2Cc2csnn2)n1 72322176 JDOXQPPWGRJLEH-NSHDSACASA-N 308.407 2.397 0 40 DEAB biogenic,in-vitro Cc1nnc([C@@H](C)OC(=O)[C@H]2CC(=O)Nc3ccccc32)o1 78989130 PTGKNBCRYCDPFY-KCJUWKMLSA-N 301.302 2.108 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C2CC=CC2)cc1 129721944 WDFQHBFPFZWHAJ-CYBMUJFWSA-N 307.415 2.240 0 40 DEAB CCn1cc(C(=O)NCCN2CCCc3ccccc32)c(C)n1 71747683 IKGRUELIWCLGAK-UHFFFAOYSA-N 312.417 2.394 0 40 DEAB CCCCS(=O)(=O)N1CCC[C@H](c2nnc(C)s2)C1 38666540 CTBUOFZWXYBALE-NSHDSACASA-N 303.453 2.156 0 40 DEAB Cc1nc(C)c(COC(=O)c2c(C)nn3cccnc23)s1 78446228 BKJWYDKHSDFNFJ-UHFFFAOYSA-N 302.359 2.468 0 40 DEAB O=C(O)[C@H](CNC(=O)[C@H]1CCc2cc(F)ccc21)CC1CC1 563448981 DJAYSYFJCUTAKO-WFASDCNBSA-N 305.349 2.473 0 40 DEAB O=C(COCc1ccccc1)NCCC(=O)Nc1ccccc1 79094237 UGKRKKDYVCRZJV-UHFFFAOYSA-N 312.369 2.348 0 40 DEAB CCCCN(C)c1ncc(S(=O)(=O)c2ccccc2)c(N)n1 49007261 VRMLICNKPANPQR-UHFFFAOYSA-N 320.418 2.128 0 40 DEAB COc1ccc(S(=O)(=O)Nc2nnc(SC)s2)cc1 225650285 JDQZBTXVOBJYIF-UHFFFAOYSA-N 317.417 2.069 0 40 DEAB Cc1ccc(C(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c(-n2cnnn2)c1C 44921209 NYWQYQQCEYGIPW-ILXRZTDVSA-N 323.400 2.221 0 40 DEAB Cc1csc([C@@H]2COCCN2C(=O)NCc2ncoc2C)n1 195571401 MSBGBQHKHHSROT-LBPRGKRZSA-N 322.390 2.031 0 40 DEAB CC1CCC(O)(CN2CCC([C@H](O)c3nccn3C)CC2)CC1 89925481 QACTWYXRFZGBOI-HQVVEAJESA-N 321.465 2.107 0 40 DEAB C[C@]1(C(=O)NCc2ccccc2F)Oc2ccccc2NC1=O 40776390 ZTBBMGMKADLFMA-QGZVFWFLSA-N 314.316 2.232 0 40 DEAB Cc1cccc2sc(OC3CN(C(=O)c4ccno4)C3)nc12 85471165 YOPWXZVSMGWLSR-UHFFFAOYSA-N 315.354 2.496 0 40 DEAB O=C(NCc1ccccc1Cn1cccn1)Nc1cccnn1 89813970 BDUAIJXCPGZAES-UHFFFAOYSA-N 308.345 2.043 0 40 DEAB CN(C)C(=O)[C@@H]1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)cc2)O1 96057324 RSOCSDMNHYTXDJ-OAGGEKHMSA-N 306.381 2.036 0 40 DEAB COc1ccccc1-c1cn2c(n1)CO[C@@H](CNC(C)C)C2 96296301 WVGZPIFKZICAQK-ZDUSSCGKSA-N 301.390 2.456 0 40 DEAB biogenic,in-vitro CC(C)C(=O)N1CCc2onc(COc3cccnc3)c2C1 96085117 WWDZMUCFRXAAJQ-UHFFFAOYSA-N 301.346 2.189 0 40 DEAB CN(C)CCO[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12 96057447 LYIREKBECXNWIY-PMPSAXMXSA-N 310.463 2.058 0 40 DEAB CCN(Cc1ccncc1Cl)[C@H](C)CS(=O)(=O)CC 96441433 MRJBOYSFWWCTKT-LLVKDONJSA-N 304.843 2.380 0 40 DEAB CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 253489135 DCMBBEFOBUEBOA-GUSZCTEKSA-N 315.417 2.153 0 40 DEAB CNc1nccc([C@@H]2CCCCN2Cc2cnn(C)c2C)n1 257243529 IHKLBHDPSYJTLE-HNNXBMFYSA-N 300.410 2.287 0 40 DEAB Cc1ccccc1CN1CCOC[C@H](Cc2cc(O)ncn2)C1 257262152 LKIDXDVOSOEWFG-OAHLLOKOSA-N 313.401 2.182 0 40 DEAB COC(=O)NCC(=O)Nc1ccc2nc(C3CC3)sc2c1 63981065 KSTDHWNEJWUKPV-UHFFFAOYSA-N 305.359 2.468 0 40 DEAB CCCCc1nc(CN2CCO[C@@H](c3cnccn3)C2)c[nH]1 257229264 FXJUMVSFXSGHGT-OAHLLOKOSA-N 301.394 2.116 0 40 DEAB CN(C)c1cccc([C@H]2CN(Cc3cncs3)CCO2)n1 257315080 UZVIJDYJRZJXIS-CQSZACIVSA-N 304.419 2.178 0 40 DEAB O=C(c1ccccc1)N1C[C@H]2CC[C@@H](Nc3cnccn3)[C@H]2C1 257281295 OOLUXMDFEFMUCP-OWCLPIDISA-N 308.385 2.439 0 40 DEAB c1cc2n(n1)[C@H](COCC1CCOCC1)CN(C1CCC1)C2 253595688 HMSPEQFZMVUFPS-KRWDZBQOSA-N 305.422 2.236 0 40 DEAB COCC1=CCN(C(=O)N[C@@H]2CCc3c(O)cccc32)CC1 274971968 TWVVHQGJOHUVLX-OAHLLOKOSA-N 302.374 2.368 0 40 DEAB CCn1cc(-c2noc(CCNC(=O)OC(C)(C)C)n2)cn1 575410703 AZUARAIRKDVNMI-UHFFFAOYSA-N 307.354 2.020 0 40 DEAB Cc1c(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cnn1C 585275474 CMKOVENDKCVQHK-ROUUACIJSA-N 317.408 2.436 0 40 DEAB CN1CCCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585284252 GQMVILSRHNTMPL-RCCFBDPRSA-N 322.424 2.124 0 40 DEAB Cn1ccc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)n1 585274868 PYCJYQBJKFKTPD-IRXDYDNUSA-N 303.381 2.127 0 40 DEAB O=C(O)c1cnc(N2CCOCC2)nc1-c1cccc(Cl)c1 1775985928 JMYIZXILDACNMV-UHFFFAOYSA-N 319.748 2.332 0 40 DEAB Cn1ncc2c(N3CCC[C@@H](COc4ccncc4)C3)ncnc21 1776001257 HZTXBNCAFGTKTO-CYBMUJFWSA-N 324.388 2.054 0 40 DEAB Cc1nc(C(C)(C)NC(=O)CCCNC(=O)C2CC2)sc1C 76649716 JUQQPHGNFQXNHL-UHFFFAOYSA-N 323.462 2.418 0 40 DEAB C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)NCCC(=O)N(C)C)C1 78951868 LVGHUHFQOMZARN-WFASDCNBSA-N 321.396 2.397 0 40 DEAB Cc1ccsc1S(=O)(=O)N1CCC(CCC(=O)O)CC1 547906175 GIKYUYKXQQSZPC-UHFFFAOYSA-N 317.432 2.322 0 40 DEAB CO[C@@]1(CNC(=O)C2(c3ccc(F)cc3)CC2)CCSC1 96364471 ILNCBWSNRKQRAW-OAHLLOKOSA-N 309.406 2.496 0 40 DEAB Cc1ncn(C[C@H](O)c2ccc(Br)cc2)c(=O)c1C 97082225 NXOKCVLNGLGCNF-ZDUSSCGKSA-N 323.190 2.356 0 40 DEAB C[C@H](O)[C@H](NC(=O)N(c1ccccc1)c1ccccc1)C(=O)O 5515649 UPSICZTVXCCVHT-WFASDCNBSA-N 314.341 2.368 0 40 DEAB COc1ccc([C@@H](NC(=O)C2CC2)c2nccn2C)cc1OC 12114937 ZOCMZTXRFYNTGS-OAHLLOKOSA-N 315.373 2.053 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](C(N)=O)C2)c(C)c1 12577209 XNEVRVWAWZVDNB-HUUCEWRRSA-N 317.433 2.136 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 13389008 KLUOKEFZKFKDQD-JLUCKKNBSA-N 311.337 2.175 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)N[C@@H](CC(C)C)C2=O)cc1C 3597180 IFZYGBXKELZUOZ-AWEZNQCLSA-N 317.389 2.208 0 40 DEAB O=C(C1CCC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037913051 MVFCYWSLAKFXNV-QGZVFWFLSA-N 307.365 2.358 0 40 DEAB CN1CC2(CCC1=O)CCN(C(=O)Cc1ccccc1)CC2 1565543217 XGDMGDRLVUBJKO-UHFFFAOYSA-N 300.402 2.090 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)c1C 2710776 SJLJXSDFUAFCEY-RYUDHWBXSA-N 320.414 2.121 0 40 DEAB Cc1ccc(Nc2nc(NCCN(C)C)nc3nccnc23)cc1 9074197 FIUJEERUKFXDNP-UHFFFAOYSA-N 323.404 2.445 0 40 DEAB O=C(NCc1nnnn1C1CCCCC1)c1ccc(F)c(F)c1 10594200 HLLNRJCTSJSJMQ-UHFFFAOYSA-N 321.331 2.387 0 40 DEAB COC(=O)C[C@@H](c1c(O)nc2ccc(Cl)cn2c1=O)C(C)C 96116822 BJJBHADNYWRELB-SNVBAGLBSA-N 324.764 2.356 0 40 DEAB Cc1cc(C)n(CC(=O)NC[C@@H](C)N2CCc3ccccc32)n1 40074450 LFQKGVMLVGIXGQ-OAHLLOKOSA-N 312.417 2.067 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3c(c2)COC3)no1 50026334 CLHKLYSPCUFLAH-SNVBAGLBSA-N 316.313 2.197 0 40 DEAB O=C(Cn1c(=O)n(C2=CCCCC2)c2ccccc21)NC1CC1 40128492 XZGLJUWZMDRTRV-UHFFFAOYSA-N 311.385 2.497 0 40 DEAB OCCCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1 50274394 YIGOCUSLXQGNEN-UHFFFAOYSA-N 302.340 2.205 0 40 DEAB O=C(NC[C@]1(N2CCOCC2)CCSC1)Nc1ccccc1 31095304 AYCIOZWTSYVGJS-MRXNPFEDSA-N 321.446 2.016 0 40 DEAB CCOCCCNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 40473362 JJZXTGRCKPQWFN-CYBMUJFWSA-N 314.426 2.176 0 40 DEAB O=C(Cn1ccccc1=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 40475645 CVNDWYBLLDYUDE-OAHLLOKOSA-N 322.368 2.088 0 40 DEAB CC(=O)Nc1cccc(OC(=O)c2ccc(-n3cncn3)cc2)c1 32727661 BNDIGBDZKXEJLI-UHFFFAOYSA-N 322.324 2.445 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CCOC1 41369153 LWHORFRMWRHPQF-CYBMUJFWSA-N 300.358 2.345 0 40 DEAB CCN(CC(C)C)C(=O)c1ccc2c(=O)n(C)c(S)nc2c1 103074006 OZSPDUYKADFGSE-UHFFFAOYSA-N 319.430 2.340 0 40 DEAB Fc1ccccc1N1CCN(Cc2noc(C3CC3)n2)CC1 53602329 OBXZMMMTMGGTQI-UHFFFAOYSA-N 302.353 2.408 0 40 DEAB Cc1nc(CNC(=O)CCn2c(=O)oc3ccccc32)cs1 53930837 JDQWUBVFRUACRV-UHFFFAOYSA-N 317.370 2.066 0 40 DEAB CC(=O)c1cccc(NC(=O)Cn2ncc3ccccc3c2=O)c1 23053766 KXOGZDGDIIBNGP-UHFFFAOYSA-N 321.336 2.238 0 40 DEAB O=C(CCN1C(=O)c2ccccc2C1=O)NCCc1ccccc1 63710 YIDQUWRRNCGCNL-UHFFFAOYSA-N 322.364 2.032 0 40 DEAB Cc1nc2ccccn2c1C(=O)NCc1ccc2c(c1)OCO2 928589 XUMNXDVKFUMTSM-UHFFFAOYSA-N 309.325 2.301 0 40 DEAB CN1C[C@H](C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)CC1=O 77651564 CSFKQMCFYLVWRC-CRAIPNDOSA-N 323.396 2.108 0 40 DEAB CC(C)(CCS(C)(=O)=O)CNC(=O)N[C@H]1CCCC1(C)C 78332729 WJZOTBSVENOTEX-LBPRGKRZSA-N 318.483 2.325 0 40 DEAB CCCC[C@@H](CC)COC[C@@H](O)Cn1cnc2c(N)ncnc21 1584934 XARHGWKYPBNCAF-OLZOCXBDSA-N 321.425 2.002 0 40 DEAB Cc1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)no1 24535714 ZUAZUFPTKOUMFO-AWEZNQCLSA-N 300.362 2.379 0 40 DEAB Cc1cc(SCC(=O)Nc2cccc(C)c2C)nc(=O)[nH]1 4314594 DLJZHZJJNKUKSV-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N(Cc2nccn2C)C2CC2)c1 55257859 VBECCRXSFOFXGI-UHFFFAOYSA-N 323.393 2.221 0 40 DEAB COc1ccccc1-n1cnnc1SCC(=O)NCC(C)C 6082040 DZMXSRCBJBHKAV-UHFFFAOYSA-N 320.418 2.140 0 40 DEAB O=C(N[C@@H](CO)Cc1ccccc1)c1cc(F)c(F)cc1F 95981002 LDERNNMIJQTSPC-LLVKDONJSA-N 309.287 2.437 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cnn(C)c1 100141042 ZNSCYIHSRZYBSV-UKRRQHHQSA-N 308.389 2.033 0 40 DEAB CC1(C)NC(=O)N(Cc2sccc2Br)C1=O 43531387 GBYSNMBYDHGFDW-UHFFFAOYSA-N 303.181 2.341 0 40 DEAB CCOc1cc2c(cc1NC(=O)CCn1cncn1)O[C@@H](C)C2 25579246 GUAIVVYHDICFNL-NSHDSACASA-N 316.361 2.029 0 40 DEAB CCn1cnnc1CNC(=O)N(C)[C@H](C)c1ccccc1F 56402162 HVOIBFBSKPNUGT-LLVKDONJSA-N 305.357 2.340 0 40 DEAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccccn2)CC1 74925171 BUOOZHJXCXZWPO-UHFFFAOYSA-N 303.312 2.322 0 40 DEAB CCOC(=O)[C@@H]1CCCN(c2ncc(Br)cn2)C1 35324728 SBXDIRPDDDHGOY-SECBINFHSA-N 314.183 2.019 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 108374868 UUCDQAJEMLPILV-ZOBORPQBSA-N 304.394 2.193 0 40 DEAB Cc1cc2n(n1)C[C@H](CNCc1ccc([C@@H](C)O)cc1)CN2 58291764 UNRJITIPAHRQKA-UKRRQHHQSA-N 300.406 2.076 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 101988788 VNWXHMFOBBEDBR-JXJLXUTGSA-N 311.451 2.140 0 40 DEAB COc1ccc(Cl)cc1NCCC(=O)NCc1cc[nH]n1 58344558 BXEULZXQMBMVJC-UHFFFAOYSA-N 308.769 2.190 0 40 DEAB CC[C@@H]1CN(C(=O)N[C@H](C)COCC(F)(F)F)C[C@@H](C)O1 110585450 GSNQIVLRNVUZQT-GMTAPVOTSA-N 312.332 2.163 0 40 DEAB Cn1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(C(F)(F)F)n1 95389831 QWJHSEKKOMVNKO-UHFFFAOYSA-N 313.235 2.389 0 40 DEAB COC(=O)CCCCCNC(=O)Nc1ccc2c(c1)OCO2 2422795 NKJPHYLPXXEGTH-UHFFFAOYSA-N 308.334 2.270 0 40 DEAB Cc1noc([C@H](C)N2CCN(C(=O)c3ccc(F)cc3)CC2)n1 29661466 IRCDTYDLMJIAMB-NSHDSACASA-N 318.352 2.036 0 40 DEAB CC[C@H](C(=O)Nc1ccc2cn(CC)nc2c1)N1CCCC1=O 73125123 DVELOZJCMLSWJX-OAHLLOKOSA-N 314.389 2.396 0 40 DEAB CCCCC(=O)NC1CCN(C(=O)c2ccc(C)nc2)CC1 48523818 IKNBQCQEPXTHTN-UHFFFAOYSA-N 303.406 2.301 0 40 DEAB CC[C@@H]1CCc2nc(NC(=O)[C@@H](C)S(C)(=O)=O)sc2C1 46785774 LCUIMZVRHRYTKR-RKDXNWHRSA-N 316.448 2.030 0 40 DEAB O=C1C[C@@H](C(=O)OCC(=O)c2ccc[nH]2)c2ccc(F)cc2N1 12937199 IUTVNJHHFUHYFV-LLVKDONJSA-N 316.288 2.006 0 40 DEAB CC(C)C(=O)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 96001094 RLCMWPPNDXUJRQ-ZDUSSCGKSA-N 301.346 2.293 0 40 DEAB CC(C)[C@H](NC(=O)c1ccccc1F)c1nnc(S)n1C 9262862 VFNXYXRTCZLRBV-NSHDSACASA-N 308.382 2.370 0 40 DEAB Cc1cc(N[C@H]2CCCC[C@@H]2C(N)=O)nc(-c2ccccn2)n1 95415875 TTYREMLSGFGAFX-STQMWFEESA-N 311.389 2.303 0 40 DEAB O=S(=O)(Cc1cccc(NCCCO)c1)c1ccccc1 95411994 LKSGNIABQSSBHL-UHFFFAOYSA-N 305.399 2.455 0 40 DEAB CCOc1ncnc2c1CN(c1cnc3ccccc3n1)CC2 65457929 LYAVZDAVAQLTQY-UHFFFAOYSA-N 307.357 2.381 0 40 DEAB CON(C)C(=O)[C@@]1(C(F)(F)F)CCN(Cc2ccccc2)C1 65622582 OEKGVYRPSMOAMA-CQSZACIVSA-N 316.323 2.461 0 40 DEAB CCN(CC)c1ccc(C(=O)OCC(=O)NCC(C)C)cc1 4505204 DUZBMZLSWKAIBF-UHFFFAOYSA-N 306.406 2.462 0 40 DEAB CCN(CC)C(=O)C1(NC(=O)c2cc(C)no2)CCCCC1 65805309 BAYPFEIEZKRBEU-UHFFFAOYSA-N 307.394 2.284 0 40 DEAB O=C(CSc1ncccn1)NC(=O)NCCC1=CCCCC1 6849600 OVRXLVUKKWBASD-UHFFFAOYSA-N 320.418 2.285 0 40 DEAB C[C@@H](Sc1ncccn1)C(=O)NC(=O)NC1CCCCC1 6912767 NEEUUERYRZGRJG-SNVBAGLBSA-N 308.407 2.116 0 40 DEAB Nc1ccc2c(NCCc3ccc4c(c3)CCO4)ncnc2n1 90092969 LNPKYSMQYWQGJO-UHFFFAOYSA-N 307.357 2.197 0 40 DEAB CO[C@@H](C(=O)NCc1nc(-c2ccccn2)no1)c1ccccc1 71896545 RCADUZZOHDDKDR-OAHLLOKOSA-N 324.340 2.136 0 40 DEAB Cc1cc(COC(=O)c2ccc(N3CCCC3=O)cc2)no1 7831721 UEAMLVSMUYLELT-UHFFFAOYSA-N 300.314 2.467 0 40 DEAB C[C@H](Cn1cncn1)NC(=O)NCC(C)(C)Cc1ccccc1 71910276 PFZKPUVVRUCBFP-CQSZACIVSA-N 315.421 2.235 0 40 DEAB COc1ccc(NC(=O)[C@H](C)Sc2nnnn2C(C)C)cc1 16453687 GBTKBMVINJWJEV-JTQLQIEISA-N 321.406 2.382 0 40 DEAB Cc1ncc2c(n1)CN(CC(=O)N1CCCc3ccccc31)CC2 69464512 SYYXIJYCOUIETJ-UHFFFAOYSA-N 322.412 2.123 0 40 DEAB Cc1ccc(Cn2ccn(-c3ccc(F)cc3)c(=O)c2=O)cc1 20488788 OOYVJMJKBOUZFU-UHFFFAOYSA-N 310.328 2.495 0 40 DEAB Cc1ccccc1CN(C)[C@H](C)C(=O)NC(=O)NC(C)(C)C 8494261 XAWZRKUVAPAATK-CYBMUJFWSA-N 305.422 2.440 0 40 DEAB C[C@@H](C(=O)NC1CC1)N1CCC[C@H](CN2CCCCCC2)C1 69520276 GFSQRHSKCKORIG-JKSUJKDBSA-N 307.482 2.242 0 40 DEAB Cn1c(CN2CCC[C@@H](Cn3cncn3)C2)nc2ccccc21 69662797 UOCRYOZSLUJVRT-CQSZACIVSA-N 310.405 2.077 0 40 DEAB Cc1occc1C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 69873746 NSYAEYSMDBQCST-JTQLQIEISA-N 322.386 2.069 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NC[C@@H](C)Cn2cccn2)C12CCC2 73814696 TUGDBSSQJTYKEP-RBSFLKMASA-N 320.437 2.166 0 40 DEAB COCc1nc(CN2CCC[C@H](c3ccnn3C)C2)cs1 72299788 AFCGCCCXCPWLJK-LBPRGKRZSA-N 306.435 2.403 0 40 DEAB CC(C)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 26505240 FTNFZRYMIMXYDD-OLZOCXBDSA-N 310.444 2.464 0 40 DEAB COCCN1CC[C@H](NC(=O)N[C@@H](C)CCc2ccccc2)C1 72290856 GSHSNTLKQWCKCA-RDJZCZTQSA-N 319.449 2.028 0 40 DEAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CCCO1 97108187 CCQJWGIPJMVZJO-QMMMGPOBSA-N 305.300 2.330 0 40 DEAB O=C(NC1(c2ncon2)CCOCC1)c1cc2c(s1)CCC2 97108980 QCNRXMGCXPOLCP-UHFFFAOYSA-N 319.386 2.056 0 40 DEAB Cc1nc(CNC(=O)N2CCC[C@@H]3CN(C)CC[C@@H]32)sc1C 97234400 MNFRNGDZSULPHI-KGLIPLIRSA-N 322.478 2.386 0 40 DEAB O=C1CN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CCN1 84341550 BWAWXDVHAOMSOZ-MNOVXSKESA-N 313.184 2.055 0 40 DEAB Cc1cc(NC(=O)CN[C@H](c2ncc(C)s2)C2CC2)no1 97374408 YOUMORUVVLXGAK-ZDUSSCGKSA-N 306.391 2.427 0 40 DEAB C[C@H](NCC1(c2ccc3c(c2)OCO3)CCCCC1)C(N)=O 97371672 ADDLIOAIBARWSD-LBPRGKRZSA-N 304.390 2.081 0 40 DEAB Cc1[nH]ccc1C(=O)N1CCOC[C@H]1CC(=O)c1ccccc1 95965372 DMLBXPRTLUSOBW-OAHLLOKOSA-N 312.369 2.437 0 40 DEAB Cc1cc(C)cc(CS(=O)(=O)CCCCS(C)(=O)=O)c1 89585258 YYYZGDKXCWTFPC-UHFFFAOYSA-N 318.460 2.043 0 40 DEAB Cc1ccc(N2CCC[C@H]2COC(=O)c2csc(C)n2)nn1 89652332 XBCZTRNXHIBDJI-LBPRGKRZSA-N 318.402 2.376 0 40 DEAB Cn1cc(C(=O)NC[C@H](c2ccsc2)c2ccco2)nn1 670880775 KBPJKZKNJWARHR-LLVKDONJSA-N 302.359 2.032 0 40 DEAB CCN(CO)c1ncnc2c1cnn2-c1cccc(Cl)c1 35681988 YYNMQZFWSBACDP-UHFFFAOYSA-N 303.753 2.245 0 40 DEAB CN(C)Cc1ccc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1 170678680 UZSQBODZFADJDY-MRXNPFEDSA-N 312.417 2.491 0 40 DEAB COc1cccc([C@@H](C)Nc2nc(N)nc3c2nc(C)n3C)c1 72240957 LTSBBMNWDKFIIS-SECBINFHSA-N 312.377 2.436 0 40 DEAB CN(CCN1CCCCC1)C(=O)c1ccnc(N2CCCC2)c1 36753084 NRXPGGZZEDUSPD-UHFFFAOYSA-N 316.449 2.240 0 40 DEAB C[C@H](CNC(=O)Nc1nncs1)N1CCc2ccccc2C1 43127934 FXNUFGHKBPZMCO-LLVKDONJSA-N 317.418 2.106 0 40 DEAB CC(C)(C)O[C@H](O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)O 1537785280 RFINNQPEUBQDTL-AAEUAGOBSA-N 301.770 2.016 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 72369508 OIZMLRJGYSNWRK-CQSZACIVSA-N 323.400 2.474 0 40 DEAB CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1CCS(=O)(=O)C1 39527364 NNSBZPQMAPQSRQ-CMPLNLGQSA-N 313.444 2.019 0 40 DEAB O=C(O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 36965471 PHPLNUKANPATDN-SECBINFHSA-N 324.185 2.231 0 40 DEAB Cc1csc(CCn2ccc3oc(=O)cc(C)c3c2=O)n1 1547211730 VQHZBUHCWNLIGT-UHFFFAOYSA-N 302.355 2.271 0 40 DEAB CC[C@H](NC(=O)[C@H](CC)N1CCCC1=O)c1ncc(C)s1 73858042 RLWKLYYBXFIXQU-RYUDHWBXSA-N 309.435 2.420 0 40 DEAB CC(=O)N1CCN(C(C)=O)[C@@H](c2ccc(OC(C)C)cc2)C1 72366549 HXHVXFHDOYCSHC-QGZVFWFLSA-N 304.390 2.226 0 40 DEAB CCN(C[C@H]1CCCN1CCN)C(=O)OCc1ccccc1 79411552 YYCMWUITTXXRGJ-MRXNPFEDSA-N 305.422 2.068 0 40 DEAB O=C1N[C@H](CCC(=O)N2CCCCC2)C(O)=Nc2ccccc21 36597101 XDQCBSQCGXMJQR-CQSZACIVSA-N 315.373 2.179 0 40 DEAB Cc1ccccc1[C@@H](O)CNC(=O)N[C@H](C)c1cn(C)nc1C 79028326 WVFOLRYCHAGREI-WBMJQRKESA-N 316.405 2.131 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1c1cccc(-c2cccnc2)n1 72365161 GMEUCMSHBFXYFK-OAHLLOKOSA-N 303.387 2.240 0 40 DEAB COc1ccc(NC(=O)c2nnc3ccc(OC)cc3n2)cc1 46088276 MEDHOBZZMWINFS-UHFFFAOYSA-N 310.313 2.294 0 40 DEAB COC(=O)[C@@H](O)C1CCN(Cc2ccc(C)c(Cl)c2)CC1 194069999 VRDSJJSYCTZBCC-HNNXBMFYSA-N 311.809 2.394 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCCc1ccc(F)cc1 223119691 RGPGXMZWNUKDMT-UHFFFAOYSA-N 312.366 2.342 0 40 DEAB NC(=O)c1ccc(O[C@H]2CCCN(Cc3ccccc3)C2=O)cc1 89722088 JZAMCPVOXSAZRO-KRWDZBQOSA-N 324.380 2.356 0 40 DEAB COCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152623 HSEPQXKPDLTKSM-NSHDSACASA-N 323.780 2.056 0 40 DEAB C[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O)c1ccncc1 225813931 CWSYASBLODJANY-KLLKFSIISA-N 300.358 2.172 0 40 DEAB NC(=O)N1CCC2(CCCC(=O)N2Cc2cccc(F)c2)CC1 96158612 XLXFRJYUEJBJED-UHFFFAOYSA-N 319.380 2.252 0 40 DEAB Cc1csc(C(C)(C)NCc2cccc(OCC(N)=O)c2)n1 96443388 DYZHRESZQFJFDJ-UHFFFAOYSA-N 319.430 2.341 0 40 DEAB O=S(=O)(Cc1nccn1Cc1ccccc1)c1ccccn1 96443614 FUZLXHCRFPRJGO-UHFFFAOYSA-N 313.382 2.300 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)Nc2cccn(C)c2=O)C12CCCC2 96435170 XCPVJNFHWNXROD-UONOGXRCSA-N 319.405 2.245 0 40 DEAB Cc1n[nH]c([C@H]2C[C@@H]3CCN(C(=O)c4cccs4)C[C@H]3O2)n1 96070647 IJABPEFKGMDJGX-QJPTWQEYSA-N 318.402 2.167 0 40 DEAB CCc1cnc(N2CCN([C@@H](C)c3nnc(C)o3)CC2)s1 96441511 BKRTUQJVQSYWRE-JTQLQIEISA-N 307.423 2.280 0 40 DEAB NC(=O)c1ccc2c(c1)CCCN2C(=O)[C@H]1C[C@@H]1c1cccnc1 97101454 TVYWFSDDSDKCLK-CVEARBPZSA-N 321.380 2.263 0 40 DEAB O=C(c1ccco1)N1C[C@H]2CCCN(Cc3nccs3)[C@H]2C1 96054184 GDWIABOJQYISHE-OLZOCXBDSA-N 317.414 2.473 0 40 DEAB COC[C@@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)C1CC1 96494041 BAIAEQCPIMDYEQ-IAGOWNOFSA-N 318.417 2.065 0 40 DEAB c1ccc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2cccnc2)nc1 96041863 HFVCTYSAKDHUFN-LZLYRXPVSA-N 311.385 2.287 0 40 DEAB O=C(NCc1ccco1)c1cccnc1O[C@@H]1CCSC1 244975122 ICIFKDCUUPYEPX-GFCCVEGCSA-N 304.371 2.489 0 40 DEAB COc1ccc(CC(=O)N2CC[C@H](c3ccn[nH]3)C2)cc1F 257217139 CXQOIFQPSMWAGN-LBPRGKRZSA-N 303.337 2.116 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@H](C)c1c(C)n[nH]c1C 253370088 LVZGKXIDNDXGEQ-LERXQTSPSA-N 321.421 2.368 0 40 DEAB Cc1cn(C)c([C@H]2CCN(C(=O)COc3ccccc3F)C2)n1 257273574 NHFYBSHCIWHIPF-ZDUSSCGKSA-N 317.364 2.263 0 40 DEAB CCO[C@H](C)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 252507328 WHHDCTSKAGGTTN-GFCCVEGCSA-N 312.360 2.429 0 40 DEAB O=C(c1ccsc1)N1CC(S(=O)(=O)C2CCCCC2)C1 96104325 ZSXWFPSBOLHOAQ-UHFFFAOYSA-N 313.444 2.320 0 40 DEAB Cn1nccc1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 65489220 WPOQIANMPOCUKR-UHFFFAOYSA-N 302.353 2.276 0 40 DEAB CC1(C)CCN(C(=O)N[C@@H]2CC[S@@](=O)C2)CC(C)(C)C1 685938906 AGUKYKSAQLYCFQ-MPBGBICISA-N 300.468 2.365 0 40 DEAB O=C(NCCN1CCN(c2ccccc2)CC1)c1ccccc1 56965643 YFASRKAZVFARAE-UHFFFAOYSA-N 309.413 2.239 0 40 DEAB O=C(NC[C@@H]1CCOC1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 57188210 NDQXNXUOXHIUGH-APHBMKBZSA-N 322.380 2.382 0 40 DEAB Cc1nc2ccccn2c1-c1nnc(N2CC[C@@](C)(F)C2)n1C 576942928 RFKJOYRLLBFUPL-MRXNPFEDSA-N 314.368 2.377 0 40 DEAB Cc1ccc(C(=O)N2CC(Cn3nc(C4CC4)ccc3=O)C2)cc1 1775970422 BBRNTCPRFYNNKX-UHFFFAOYSA-N 323.396 2.201 0 40 DEAB Cc1ncc(CN2CCC(O)(c3ccc(F)cc3)CC2)cn1 12240667 WQVWBQYBDYFHEC-UHFFFAOYSA-N 301.365 2.408 0 40 DEAB COc1ccc(/C=C/C(=O)Nc2nc(CC(=O)O)cs2)cc1 13405684 MBMGROQGJNXNRN-QPJJXVBHSA-N 318.354 2.431 0 40 DEAB COc1cc(I)cc(/C=C/C(=O)O)c1O 2524652 JVLVADSDKGROTF-NSCUHMNNSA-N 320.082 2.103 0 40 DEAB Cc1cc(C)nc(O[C@H]2CC[C@H](NC(=O)c3ccno3)CC2)n1 239612028 FHRSCPLSKXWTJE-JOCQHMNTSA-N 316.361 2.201 0 40 DEAB Fc1cncnc1N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888844065 GYMAKUBZQZYNIB-LLVKDONJSA-N 315.352 2.188 0 40 DEAB C[C@H]1CN(C(=O)NCCCc2nc3ccccc3[nH]2)C[C@H](C)O1 22431066 WORFJJHRUJXIRF-STQMWFEESA-N 316.405 2.314 0 40 DEAB CNCC1CCN(S(=O)(=O)c2cc(Cl)ccc2C)CC1 63159791 XMDDFNQCHCGWJR-UHFFFAOYSA-N 316.854 2.269 0 40 DEAB COc1ccccc1/C=c1\sc2nc3ccccc3n2c1=O 8809503 FIQFKKVJSLAPPT-GDNBJRDFSA-N 308.362 2.466 0 40 DEAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccno1 10254089 KWXIIEPFLXZRSV-UHFFFAOYSA-N 303.299 2.308 0 40 DEAB COC[C@H]1CN(C(=O)c2cccc(Cl)c2)Cc2cn(C)nc21 2055751098 IBSBCRYLLUSYBP-CYBMUJFWSA-N 319.792 2.460 0 40 DEAB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]21 100559180 WUBBQKFOTWRYOJ-RKTXRCNFSA-N 318.332 2.041 0 40 DEAB CSCc1nc2ccccc2n1CC(=O)N1CCO[C@H](C)C1 40477923 GOMIWFNHKLWNLX-GFCCVEGCSA-N 319.430 2.147 0 40 DEAB CCC(CC)NC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 40477687 HEUNEVXQQDTFIC-ZDUSSCGKSA-N 322.405 2.451 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCc1cccnc1OC(C)C 40541059 BIVNYGJQEWNEEK-UHFFFAOYSA-N 302.378 2.149 0 40 DEAB CN(C)CCn1ccc2cc(NC(=O)c3cnn(C)c3)ccc21 51434492 BRKMTVFCIUFDAM-UHFFFAOYSA-N 311.389 2.189 0 40 DEAB Cc1ccccc1C(=O)NC1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 32307939 SFUKWHFBFAHZHA-CZUORRHYSA-N 300.402 2.372 0 40 DEAB Cc1csc2ncn([C@@H](Cc3ccccc3)C(N)=O)c(=O)c12 32507914 FQULQRIGYGGDBH-LBPRGKRZSA-N 313.382 2.036 0 40 DEAB Cn1c(Cl)cnc1CN1CCN(C(=O)c2ccsc2)CC1 52239400 KINLAEBDGKOFSO-UHFFFAOYSA-N 324.837 2.093 0 40 DEAB CCCN1CCN([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 32797240 WHBUDJZWPOLDOO-GFCCVEGCSA-N 311.376 2.319 0 40 DEAB CCOC(=O)N(C)CC(=O)Nc1ccc(-c2cc[nH]n2)cc1 52445971 JTNJNERVOVUJHF-UHFFFAOYSA-N 302.334 2.104 0 40 DEAB CN1CCC(n2nc([C@H]3CCOC3)nc2C2CC=CC2)CC1 102534049 QHPCYTPMEADJBA-AWEZNQCLSA-N 302.422 2.482 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2ccc(C)s2)c(O)c1 33028976 HHQNJDCGVNSKQJ-UHFFFAOYSA-N 304.371 2.439 0 40 DEAB CCN(C(=O)CN1CCN(C)CC1)c1cccc2ccccc12 22030013 FTHDQGYUVWBGIL-UHFFFAOYSA-N 311.429 2.440 0 40 DEAB Cc1ccc(-c2nc(CSc3n[nH]c(=O)n3C)cs2)o1 41705144 UFNCYTODOAPGAI-UHFFFAOYSA-N 308.388 2.426 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3C(c4ccc(F)cc4)=NO[C@H]3C2=O)cc1 103536416 XIDKLXTXDWKNPW-GOEBONIOSA-N 324.311 2.427 0 40 DEAB O=C(NC1CC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780473 CXAJYRLNUUTYCS-UHFFFAOYSA-N 306.793 2.471 0 40 DEAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1OCC 1457082 UOJZCXSPBDJLPF-UHFFFAOYSA-N 306.406 2.262 0 40 DEAB COC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 29671 LTRIJQHUBIJVRD-UHFFFAOYSA-N 309.318 2.413 0 40 DEAB COc1c(C)cnc(CNC(=O)[C@H](C)OCC(F)(F)F)c1C 50448163 FYOYKOTZDZWHLT-JTQLQIEISA-N 320.311 2.291 0 40 DEAB CCN1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 4172218 IHJOSBHWOCKOME-UHFFFAOYSA-N 310.353 2.292 0 40 DEAB CC[C@H](C)NC(=O)[C@H]1CC(c2ccc(OC)c(OC)c2)=NO1 6738561 ZUPDBJMHGAGNAY-ZUZCIYMTSA-N 306.362 2.112 0 40 DEAB O=C(COC(=O)Cc1ccccc1F)NCCc1ccccc1 7562397 FQNVTWRYHYWMBA-UHFFFAOYSA-N 315.344 2.270 0 40 DEAB CCCc1nnc(SCC(=O)Nc2nccs2)n1CC 7610206 OJHFWNNZHXDNEB-UHFFFAOYSA-N 311.436 2.438 0 40 DEAB CCCCNc1nnc(SCC(=O)NC(=O)OCC)s1 7975150 UJJIQOYTKOYDLY-UHFFFAOYSA-N 318.424 2.115 0 40 DEAB COc1ccc(CC(=O)N2N=C(C)C[C@@]2(O)C(F)(F)F)cc1 114555 ZEOZXKVHGPQBQI-CYBMUJFWSA-N 316.279 2.097 0 40 DEAB Cc1ccn2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)nc2c1 69628315 DVZOYMGWXXJLFI-HNNXBMFYSA-N 309.373 2.354 0 40 DEAB Cc1ccc(-c2csc3ncn(CCC(N)=O)c(=O)c23)cc1 11329061 YIYGSCZCFPECSQ-UHFFFAOYSA-N 313.382 2.309 0 40 DEAB O=C(NCCCOC[C@H]1CCCO1)[C@H]1Cc2ccccc2S1 32880041 HYNRSBURPWWUTH-GDBMZVCRSA-N 321.442 2.405 0 40 DEAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nnc(N)s1 21612881 BEMKYRWJWWQQIB-DTWKUNHWSA-N 300.453 2.392 0 40 DEAB O=C(CCCNc1ncccn1)Nc1nc2c(s1)CCC2 45882046 VFHQKSMPXHOZFX-UHFFFAOYSA-N 303.391 2.253 0 40 DEAB O=C(N[C@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1cccs1 11661324 ZDQXOBRROBJLAM-ZDUSSCGKSA-N 318.373 2.418 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)Nc1cn[nH]c1 45933662 RQMNBYPJXACRNA-UHFFFAOYSA-N 301.350 2.448 0 40 DEAB COc1ccc(CNC(=O)CNC(=O)Nc2ccccc2)cc1 11773135 QUQYXLULSYMRBE-UHFFFAOYSA-N 313.357 2.133 0 40 DEAB Cc1noc(C)c1CN(C)CCS(=O)(=O)c1ccccc1 46060348 PESPLPYJXPBSNM-UHFFFAOYSA-N 308.403 2.197 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)c1ccccc1S(C)(=O)=O 33209033 VNRDFXLFZSDQSB-NSHDSACASA-N 307.371 2.044 0 40 DEAB Nn1c(SCc2cccc(F)c2)nnc1-c1cccnc1 525527 ABXHOSMGPPIZLR-UHFFFAOYSA-N 301.350 2.485 0 40 DEAB O=C(NCc1cccnc1)NC(C(F)(F)F)C(F)(F)F 509931 KXOUVRUPOUZVSF-UHFFFAOYSA-N 301.190 2.374 0 40 DEAB CC(C)c1cc(C(=O)N(CCO)C[C@H]2C[C@H]3C=C[C@H]2C3)n(C)n1 100760720 UFBJCTZBJJQJDQ-SOUVJXGZSA-N 317.433 2.190 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2cccc(F)c2)no1 41826497 XWXXUEYERPOQBD-UHFFFAOYSA-N 306.293 2.162 0 40 DEAB CCCN1CC[C@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 53408786 XDHXNNLRLPEMSQ-CQSZACIVSA-N 306.454 2.408 0 40 DEAB COc1ccccc1/C=C(/C(=O)OCC(N)=O)c1ccccc1 2622121 CBSHTFGLRCTLGH-RVDMUPIBSA-N 311.337 2.264 0 40 DEAB Cc1cnc(NC(=O)c2ccc(N3CCNC3=O)cc2)s1 54304895 GJOCGEJDIXISKW-UHFFFAOYSA-N 302.359 2.233 0 40 DEAB COC(=O)C[C@H]1CCCCN1CC(=O)Nc1ccc(OC)cc1 54394644 KHIBSIPSWWXZJH-CQSZACIVSA-N 320.389 2.051 0 40 DEAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 20036146 NZTLFEBYCWIQEW-UHFFFAOYSA-N 316.810 2.384 0 40 DEAB CCN(Cc1c(F)cccc1F)C(=O)N[C@H](C)c1nncn1C 69580710 RVCYBMXUJMTHCU-SNVBAGLBSA-N 323.347 2.386 0 40 DEAB CN(Cc1cnn(-c2ccccc2)n1)C(=O)NCc1ccncc1 42881885 RDDPFHUUIZKSQP-UHFFFAOYSA-N 322.372 2.004 0 40 DEAB c1cnc(NCC[C@@H]2CN(C3CCC3)Cc3ccnn3C2)nc1 306126648 FAWKRXWIOLTBNJ-CQSZACIVSA-N 312.421 2.160 0 40 DEAB COc1cccc(CC(=O)NC[C@H]2COc3ccccc3O2)c1 5918583 FEWIUZWHDXAYDY-HNNXBMFYSA-N 313.353 2.194 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@@H]2Cc2ccccc2)CC1=O 44370294 XVJLJLIIFSTABA-JKSUJKDBSA-N 300.402 2.089 0 40 DEAB COc1cccc(CCC(=O)NCc2c(C)cc(C)[nH]c2=O)c1 27147453 GQLZGDDUTVJSCE-UHFFFAOYSA-N 314.385 2.249 0 40 DEAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(O)=Nc2nncn21 44919882 SPTOLLOSKQDUBO-SECBINFHSA-N 309.688 2.242 0 40 DEAB CC(C)(C)C1CCC(C(=O)OCC(=O)N2CCOCC2)CC1 3229914 MKKFIXRAEMUMOQ-UHFFFAOYSA-N 311.422 2.241 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 3200030 FHOLENLWWLBMLF-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB O=C(CSc1nnc(NCc2ccco2)s1)NC1CC1 7161627 OPTNDVJVQOOIRU-UHFFFAOYSA-N 310.404 2.114 0 40 DEAB O=C(NC[C@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2 13005874 HRSSUIASKNDMHR-CQSZACIVSA-N 311.385 2.270 0 40 DEAB Cc1sc2ncn(CC(=O)NCCC(C)C)c(=O)c2c1C 6110904 RKAUCVKYICWUOS-UHFFFAOYSA-N 307.419 2.237 0 40 DEAB O=C(Cc1ccc2c(c1)CCC2)Nc1cccc(-n2cnnn2)c1 7778540 GOQATVIYCZRKCD-UHFFFAOYSA-N 319.368 2.332 0 40 DEAB CCOC(=O)[C@H](Cc1ccccc1)Sc1nnc(N)s1 4483144 UFHFLHRXADHWJT-JTQLQIEISA-N 309.416 2.387 0 40 DEAB Cc1cc(C)nc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1 6493747 BDCRBIKRLBKTAW-UHFFFAOYSA-N 309.325 2.498 0 40 DEAB Cc1nc2cc3c(cc2c(C)c1C(=O)N1CCOCC1)OCO3 6650751 PYTSOCPGTMZUGL-UHFFFAOYSA-N 314.341 2.053 0 40 DEAB CCO[C@H](C)c1noc(CN2CCN([C@@H]3C=CCCC3)CC2)n1 96441593 WJTFIXRNCGLGNX-HUUCEWRRSA-N 320.437 2.393 0 40 DEAB Brc1cccc(Cc2nc([C@@H]3COCCN3)no2)c1 96001452 CDXWOLQPRPJDAN-NSHDSACASA-N 324.178 2.084 0 40 DEAB Cc1cc(C)n(C2CN(C[C@H](O)c3cc(F)ccc3F)C2)n1 71880751 ZAQAWHJGEXCRHI-INIZCTEOSA-N 307.344 2.368 0 40 DEAB O=C(NC[C@H](O)Cc1ccccc1)c1c[nH]nc1-c1ccccc1 71856902 DYLOOMAHFCCZNY-MRXNPFEDSA-N 321.380 2.410 0 40 DEAB COc1ccc(CN2CCN(C(=O)c3c[nH]cc3C)CC2)cc1 71808695 CGCGYUGQVNPDSR-UHFFFAOYSA-N 313.401 2.290 0 40 DEAB CCOC(=O)CCCNC(=O)c1ccn(-c2cccc(F)c2)n1 71826987 PWAHPSNVIWSYOQ-UHFFFAOYSA-N 319.336 2.085 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccn(C2CCCC2)n1 89510677 LLCFCROHYWTAEQ-SJORKVTESA-N 311.385 2.386 0 40 DEAB C[C@@H]1COC2(CCN(C(=O)CSCc3ccncc3)CC2)O1 75143351 TZQMAHICWINQKG-CYBMUJFWSA-N 322.430 2.069 0 40 DEAB C[C@H]1CC(C)(C)CC[C@H]1NC(=O)NCCc1nnc2n1CCC2 86428420 BNKNPVINRJRWRV-QWHCGFSZSA-N 319.453 2.281 0 40 DEAB O=C(O)c1ccc(C(=O)NCc2nc3ccc(F)cc3[nH]2)s1 97017754 ZDTDKJFPKBBWQO-UHFFFAOYSA-N 319.317 2.392 0 40 DEAB O=C(N1CCC[C@@H](n2cncn2)C1)C1(c2cccc(F)c2)CC1 72286005 YMHFDOSHSMJYKL-OAHLLOKOSA-N 314.364 2.313 0 40 DEAB CCOc1ccc(CN2CCN(CCN3CCCC3)CC2)cc1 72280860 JPQLWDPGBLCJOH-UHFFFAOYSA-N 317.477 2.299 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1 97377879 GUZKTDLMRAJNDX-HNNXBMFYSA-N 311.341 2.052 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCC2(CCOC)CC2)C12CCC2 89985755 GAXBIVCREVLDSD-KGLIPLIRSA-N 310.438 2.450 0 40 DEAB CC[C@@H]1COCCN1C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 95438194 ZSSCUNUTNLXJKM-GUTXKFCHSA-N 304.390 2.372 0 40 DEAB CC(=O)N1CC[C@@H](NC(=O)[C@H](O)c2ccccc2)c2ccccc21 95441645 NRQNKBNWUFOPNM-SJLPKXTDSA-N 324.380 2.334 0 40 DEAB CNC[C@@H]1CCN(C(=O)c2cccc(Br)c2C)C1 88442012 ZNYDEPCRUCPYHF-NSHDSACASA-N 311.223 2.439 0 40 DEAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N1CCC[C@@H]1CO 88619013 HIHPDSKQQYHVIS-DAYGRLMNSA-N 300.402 2.057 0 40 DEAB O=C(NS(=O)(=O)[C@H]1CC=CCC1)C1CCC(F)(F)CC1 95976230 GJWHGTMNXPKXCF-NSHDSACASA-N 307.362 2.367 0 40 DEAB CSCC[C@H](C)NS(=O)(=O)Cc1noc2ccccc12 95940438 LYXBNKMGZCPQHO-JTQLQIEISA-N 314.432 2.389 0 40 DEAB C[C@@H](NCc1ccc2c(c1)OCCO2)c1nnc2n1CCCC2 78880162 IHGDEXGIXSESPY-GFCCVEGCSA-N 314.389 2.236 0 40 DEAB O=C(c1c[nH]c(=O)cn1)N1CCc2cc(Cl)cc(Cl)c2C1 79053929 QRWNGTSWSQCXFO-UHFFFAOYSA-N 324.167 2.275 0 40 DEAB COc1cccc(N2Cc3nn(CCC(C)C)c(=O)n3C2=O)c1 1547201174 NMKVJRJBSOVTTE-UHFFFAOYSA-N 316.361 2.088 0 40 DEAB CCc1ncnc(N2CCN(CC(F)(F)F)[C@H](C)C2)c1F 301926036 GVSWDTXYMADHTC-SECBINFHSA-N 306.307 2.251 0 40 DEAB O=S(=O)(O)c1cncc(Br)c1N1CCCCC1 72210942 YHNRHHVGIYRSRW-UHFFFAOYSA-N 321.196 2.081 0 40 DEAB CC(=O)c1ccc(NC(=O)CCN2CCCC[C@@H]2CCO)cc1 78776810 DMRUAJMTRLXRNW-QGZVFWFLSA-N 318.417 2.455 0 40 DEAB O=C([C@H](O)c1cc(Cl)cc(Cl)c1)N1CCC[C@@H]1CO 127048922 MXIATJHCHJVEHC-VXGBXAGGSA-N 304.173 2.010 0 40 DEAB C[C@H]1C[C@@H](N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 78394024 GQRZYASNEOWHBY-RWMBFGLXSA-N 312.410 2.022 0 40 DEAB Cc1ccc(C2=NO[C@H]3CN(Cc4cnc(C)nc4)C[C@H]23)cc1 72343261 KCKNPCIQBQAPDZ-IRXDYDNUSA-N 308.385 2.328 0 40 DEAB NC(=O)c1cccc(CCNC(=O)N2Cc3ccccc3C2)c1 78602505 VWQSNJDOSZCHGI-UHFFFAOYSA-N 309.369 2.053 0 40 DEAB CN(C(=O)CC1CCSCC1)[C@H](C(=O)O)c1cccnc1 1573852539 NNNYEOJTEVIEBS-AWEZNQCLSA-N 308.403 2.199 0 40 DEAB CCc1noc([C@H]2CCCN(C(=O)COc3ccccc3)C2)n1 41122371 LGLNQSDISRRNDA-ZDUSSCGKSA-N 315.373 2.417 0 40 DEAB COc1cc([C@H](C)NC(=O)N2CC[C@H](CN(C)C)C2)ccc1F 130497261 PNAXYKMLWPGBTD-QWHCGFSZSA-N 323.412 2.488 0 40 DEAB CN(CC1CC(O)C1)C(=O)NCCCn1ccc2ccccc21 195575688 DBAPHYGRATZBHB-UHFFFAOYSA-N 315.417 2.444 0 40 DEAB COC(=O)C1CCN(C(=O)c2ccc(OC)c(Cl)c2)CC1 225800709 YICQNAGFSABPDB-UHFFFAOYSA-N 311.765 2.374 0 40 DEAB O=C(N1CCC[C@@H](Oc2ccc(Cl)cn2)C1)C1(O)CCC1 195567602 FROIABHSGVEKOV-GFCCVEGCSA-N 310.781 2.020 0 40 DEAB Cc1nc(CN2CC[C@@H]3[C@@H]2CC(=O)N3c2cccnc2)cs1 96245924 VNKAFTOJVMKQEW-CABCVRRESA-N 314.414 2.226 0 40 DEAB CC(C)c1nc(C(=O)O[C@@H]2CCOC2)nn1-c1cccc(F)c1 96410817 WNHKMKKOMXLODD-CYBMUJFWSA-N 319.336 2.476 0 40 DEAB COC(=O)c1cccc(CNC(=O)NCCC(F)(F)F)c1 96465860 AOGWMOLGFWAYEU-UHFFFAOYSA-N 304.268 2.225 0 40 DEAB CCOC[C@H]1CN(C(=O)c2ccc(C)o2)Cc2cncn2C1 96208135 KPYDDVWDIUWJHI-ZDUSSCGKSA-N 303.362 2.093 0 40 DEAB c1ccc(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)nc1 96042117 HXUFKNFYHNXYON-OKZBNKHCSA-N 311.385 2.287 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CC(F)(F)F)CCO1 96473840 XQGMYFMPMAFEFT-ZJUUUORDSA-N 312.332 2.163 0 40 DEAB CC1CCC(O)(CSc2nnnn2Cc2ccco2)CC1 96435706 QNMKYNRJGKCLOQ-UHFFFAOYSA-N 308.407 2.348 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2ccc(C)o2)Cc2cn(C)nc21 96044694 CGUKDQCRGVVRCE-ZDUSSCGKSA-N 303.362 2.098 0 40 DEAB O=C([C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1)N1CCCC1 96040989 FHKDWHABYHMNPB-JYJNAYRXSA-N 320.458 2.350 0 40 DEAB Cc1ccc(CN2CCc3ncc(CN(C)C)n3CC2)s1 96196780 HQWLCKVRYJSUKB-UHFFFAOYSA-N 304.463 2.373 0 40 DEAB O=C1[C@H]2CN(CC3CCOCC3)C[C@H]2CN1c1ccsc1 96245273 OAJJWRONVCOEJB-ZFWWWQNUSA-N 306.431 2.069 0 40 DEAB O=C(CC(F)(F)F)N1CCN(Cc2ccncc2Cl)CC1 96445685 QNVHVYPDNQPIFV-UHFFFAOYSA-N 321.730 2.332 0 40 DEAB CC(C)CN1CCC[C@H]1CN[C@H]1CCCC[C@H]1S(C)(=O)=O 245338672 NSXURNQRVXPMTG-HRCADAONSA-N 316.511 2.052 0 40 DEAB CCC(=O)N1CCC[C@H](c2nccnc2Nc2ncccn2)C1 257233566 GPTJEKGYKSYXCO-LBPRGKRZSA-N 312.377 2.126 0 40 DEAB Cc1ccc(CN2CCO[C@@H](c3ncc(CN(C)C)[nH]3)C2)s1 257297719 RIOSJFNDARBXKY-OAHLLOKOSA-N 320.462 2.415 0 40 DEAB CNC(=O)[C@@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 40555927 PZEGLUSCIMASPL-HNNXBMFYSA-N 313.357 2.304 0 40 DEAB C[C@H](NC(=O)NCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1 40554358 IFCFYOAVBCTXKL-NSHDSACASA-N 310.357 2.417 0 40 DEAB CC(C)NC(=O)[C@H]1CN(Cc2ccccc2)Cc2ncn(C)c21 585110810 JYLOGTXNCBKBDG-HNNXBMFYSA-N 312.417 2.044 0 40 DEAB c1ccc(OC[C@H]2CN(Cc3cccnc3)Cc3ccnn32)nc1 585111692 FVDHDPHDPWMJHH-QGZVFWFLSA-N 321.384 2.309 0 40 DEAB Cc1nnc(NC(=O)NCc2ccc(N3CCCC3)nc2)s1 43408076 NIYRJAFYPOURFM-UHFFFAOYSA-N 318.406 2.163 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCCN(C2CCC2)CC1 828171121 AORFQZMYPCVNRS-UHFFFAOYSA-N 302.374 2.116 0 40 DEAB O=C(NCc1nnc2ccccn12)N1CCC[C@H]1c1ccccn1 56557853 OOCVDEDEYFNLMG-AWEZNQCLSA-N 322.372 2.171 0 40 DEAB Cn1nccc1C(=O)N1CCC(c2ccc3cccnc3n2)CC1 655267642 VSLYFYZTMPTKGJ-UHFFFAOYSA-N 321.384 2.383 0 40 DEAB COc1ccc(-c2c(C)nn3c(NCCO)cc(C)nc23)cc1 12113324 DGGVTFUJYIJRFI-UHFFFAOYSA-N 312.373 2.426 0 40 DEAB COCCn1c(N)c(C(=O)N2CCCCC2)sc1=S 13547185 MLIJHMINPCISGM-UHFFFAOYSA-N 301.437 2.134 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)[C@H]1COc2ccccc21 164039145 XMWZSWWFDUCVLN-HOCLYGCPSA-N 312.369 2.101 0 40 DEAB Nc1cc(-c2ccc(F)cc2)nn1-c1nc(C(=O)O)cs1 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CC(=O)c1sc(NC(=O)[C@H]2COc3ccccc3O2)nc1C 4088430 NTJBOVIYXIHTLP-GFCCVEGCSA-N 318.354 2.433 0 40 DEAB C[C@@H](Sc1nccn1C)C(=O)Nc1ccc2c(c1)OCO2 4804736 SKMLRLRBCZNOTB-SECBINFHSA-N 305.359 2.268 0 40 DEAB CCN(CC)CCNC(=O)Nc1c[nH]c2c(C)cccc2c1=O 4907486 WENFRPROBWXMKR-UHFFFAOYSA-N 316.405 2.300 0 40 DEAB CCc1nnsc1C(=O)Nc1cccc(N2CCOC2=O)c1 32816842 CZXPASYGELYUQV-UHFFFAOYSA-N 318.358 2.309 0 40 DEAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)N1CCCC1 2644674 NMYXDWLWTSBUNK-SNVBAGLBSA-N 304.371 2.464 0 40 DEAB O=C(Cn1nc(-c2ccco2)oc1=O)NC1CCCCCCC1 53361676 WGNBYQOZDXJGRD-UHFFFAOYSA-N 319.361 2.325 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1 2734514 YOYJLQANNRMGCG-UHFFFAOYSA-N 308.447 2.244 0 40 DEAB Cc1nccn1-c1ncccc1CNC(=O)Nc1nccs1 53748215 MXYPMCYTOBVZBU-UHFFFAOYSA-N 314.374 2.354 0 40 DEAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccco1 23106268 PZFRBRZCIIYMSB-HNNXBMFYSA-N 318.348 2.222 0 40 DEAB COc1ccccc1[C@H](CNC(=O)c1c(C)noc1C)N(C)C 23794344 DTURRMCGTPJQOQ-AWEZNQCLSA-N 317.389 2.333 0 40 DEAB O=C(CSc1ccncc1)NCc1ccc2c(c1)OCCO2 23713325 MDRFCNCNUMPAHJ-UHFFFAOYSA-N 316.382 2.261 0 40 DEAB O=C(NCCn1ccnc1)N[C@H]1CCSc2ccccc21 43166808 RFMLSNOQKXZWNU-ZDUSSCGKSA-N 302.403 2.419 0 40 DEAB C[C@@H](OC(=O)c1ccc(F)c(F)c1)C(=O)NCc1ccco1 25016271 CUZZBJKFSMWFPG-SECBINFHSA-N 309.268 2.420 0 40 DEAB COc1cccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)c1 102439791 VRRUHDHYBXPDFY-BEYOIGNWSA-N 315.369 2.395 0 40 DEAB CO[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C)c1ccccc1 106779157 MLCNIXQMQJUZSH-BBWFWOEESA-N 302.418 2.459 0 40 DEAB CCCC[C@@](N)(C(=O)OC)c1cncc(Br)c1 22114027 IMJCEDWUDGKTLD-LBPRGKRZSA-N 301.184 2.361 0 40 DEAB CC(=O)c1cccc(NC(=O)c2ccccc2OCC(N)=O)c1 27439694 HJOBVBVWVQWDPW-UHFFFAOYSA-N 312.325 2.006 0 40 DEAB COc1c(CNC[C@@H](c2ccco2)N2CCCC2)c(C)nn1C 58342416 OVFGAOVLODQNLV-HNNXBMFYSA-N 318.421 2.257 0 40 DEAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2 58433298 BGVSTHQQZSVQET-JTQLQIEISA-N 315.398 2.389 0 40 DEAB O=C(COc1nnc2ccccn12)Nc1cc(F)cc(F)c1 12790734 COSQGDNSUNCJEW-UHFFFAOYSA-N 304.256 2.025 0 40 DEAB O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1ccc(Cl)cc1 3608641 VOAVDYPCDDHTBW-UHFFFAOYSA-N 321.764 2.143 0 40 DEAB COCCN(Cc1ccccn1)c1nnnn1-c1ccc(C)cc1 69161093 QOOGSEOJXNWTDT-UHFFFAOYSA-N 324.388 2.019 0 40 DEAB CCC(=O)Nc1cccc(C(=O)N[C@H]2c3ccccc3C[C@@H]2O)c1 81705895 FUWMZNHORVFLFZ-WMZOPIPTSA-N 324.380 2.423 0 40 DEAB CN1CC[C@@H](CN(C)C(=O)Cc2cccc(OC(F)F)c2)C1 75134321 NNWWXEFICJDJEH-CYBMUJFWSA-N 312.360 2.241 0 40 DEAB C[C@H](C(=O)Nc1ccc(F)cc1)N1C(=O)NC2(CCCC2)C1=O 8326865 MLLUROXDZNVZQO-SNVBAGLBSA-N 319.336 2.017 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(-c3cccnc3)on2)CC(C)(C)O1 65464334 MEEVYKIEWLBPNJ-LLVKDONJSA-N 301.346 2.376 0 40 DEAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1nccs1 14167499 CWBKFRSRLLUOEI-UHFFFAOYSA-N 317.370 2.287 0 40 DEAB Cc1c(N[C@@H](C)C(=O)NC(N)=O)cccc1OC1CCCC1 69559304 DNWIAPIBNDVYQR-NSHDSACASA-N 305.378 2.312 0 40 DEAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n1 5588440 OOFGXWHSIWQYCY-LLVKDONJSA-N 309.325 2.013 0 40 DEAB C[C@H](OC(=O)c1ccc(N2CCCS2(=O)=O)cc1)C1CC1 66546396 ARLXPQXRCXUJFY-NSHDSACASA-N 309.387 2.182 0 40 DEAB Cc1ccc(N2C(O)=NS(=O)(=O)c3cccnc32)cc1F 67172415 FLVRHWXELPWKBV-UHFFFAOYSA-N 307.306 2.284 0 40 DEAB Cc1cc(-n2cc(C(=O)NCc3ccccn3)nn2)ccc1F 67262027 XFTAEYHNLMWYBL-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)[nH]1 75118626 BLSHQFQVDQJIGK-OAHLLOKOSA-N 316.332 2.036 0 40 DEAB CCc1ccc([C@@H](C)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)o1 90171429 YZGXKUGVPROBRL-TZMCWYRMSA-N 316.405 2.340 0 40 DEAB CC[C@@H](C)C(=O)NCC(=O)N(Cc1ccco1)CC(F)(F)F 71185282 FARNREWGAOCQPC-SNVBAGLBSA-N 320.311 2.333 0 40 DEAB Cc1n[nH]cc1CNCc1ccc(OCC(F)(F)F)nc1 71819578 KMEZZNISNPFGHB-UHFFFAOYSA-N 300.284 2.344 0 40 DEAB Cc1ccc(C)c(OC[C@H](O)CN2CCN(C3CC3)CC2)c1C 84147789 XYJOIPLIBVXGFQ-GOSISDBHSA-N 318.461 2.132 0 40 DEAB CC(C)n1nccc1NC(=O)CN1CCC[C@@H](c2ccn[nH]2)C1 72270667 APWVRNHMHBNPKB-CYBMUJFWSA-N 316.409 2.005 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 72294968 YTDDHUPOTMQFMF-ZDUSSCGKSA-N 316.409 2.219 0 40 DEAB Cc1cnn(C2CN(CC(=O)N(Cc3ccccc3)C3CC3)C2)c1 72253882 HGIGQYCAVYTMRG-UHFFFAOYSA-N 324.428 2.239 0 40 DEAB Cc1cccc(C(=O)N2CCCN(C(=S)NC3CC3)CC2)c1 84210144 KQOGZPLBQXYNEX-UHFFFAOYSA-N 317.458 2.180 0 40 DEAB CCn1cc(C2CCN([C@H](C(N)=O)c3ccccc3)CC2)cn1 97203638 BDJPSJRSVGYWHJ-KRWDZBQOSA-N 312.417 2.309 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccon2)c(F)cc1F 95461650 ZTJGFBMPTAYCNQ-MRVPVSSYSA-N 302.302 2.301 0 40 DEAB Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc2c1C(=O)NC2 95463522 YLWGAIMSDBEPBG-UHFFFAOYSA-N 312.373 2.213 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](N[C@@H](CCO)C(C)(C)C)C1 95940728 CEXUGJJANOSHRN-STQMWFEESA-N 300.443 2.383 0 40 DEAB COc1ccc(S(=O)(=O)Nc2noc(C3CC3)n2)c(C)c1 95995737 VPILMBNIQSXKOE-UHFFFAOYSA-N 309.347 2.065 0 40 DEAB CN(CCc1ccccn1)C(=O)Cn1cc(-c2ccccc2)nn1 89346473 ZAQFYLHRXPPBNT-UHFFFAOYSA-N 321.384 2.041 0 40 DEAB COC(=O)[C@H]1CN([C@@H](C)c2ncc(C(C)(C)C)o2)C[C@@H](C)O1 89496861 KBPXKZWNODCRGG-GRYCIOLGSA-N 310.394 2.295 0 40 DEAB CCN1CCN(C(=O)Cc2cccc(Br)c2)CC1 118763286 OMWIYPFZNAGKJS-UHFFFAOYSA-N 311.223 2.156 0 40 DEAB C[C@H](OCC(F)(F)F)C(=O)NCCc1ccc2c(c1)OCO2 32924212 KSAMQJMJKGJCDZ-VIFPVBQESA-N 319.279 2.041 0 40 DEAB C[C@H](CN1CCCCC1)NS(=O)(=O)Cc1cccc(F)c1 189128174 QFIMJVNUVSOKMQ-CYBMUJFWSA-N 314.426 2.120 0 40 DEAB O=C(NC[C@H]1CCCNC1)c1c(F)cccc1Br 122412120 RUIXTVLRCUSARJ-VIFPVBQESA-N 315.186 2.318 0 40 DEAB CC(C)CCC(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551454040 ALCXUOJVXHVIAT-YPMHNXCESA-N 308.382 2.012 0 40 DEAB COc1ccc([C@H]2[C@H](C(=O)N3CCCC3)CCC(=O)N2C)cc1 72242095 DZNCUWVUJATMJR-WBVHZDCISA-N 316.401 2.227 0 40 DEAB Cc1ccc2cccc(NC(=O)c3nccnc3C(=O)O)c2n1 71283003 OUYLVPVEGZBVNE-UHFFFAOYSA-N 308.297 2.284 0 40 DEAB COc1ccc2c(c1)c(C(=O)NCC1CCOCC1)cn2C 79191077 JAHJQURNLYUANX-UHFFFAOYSA-N 302.374 2.343 0 40 DEAB biogenic COc1ccc(CN2C(=O)[C@H](N)[C@H]2c2cccs2)cc1OC 72227046 QBWMUEPGIWXQDB-HUUCEWRRSA-N 318.398 2.176 0 40 DEAB COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1N 73634314 RWJMIHZXSRWRFD-UHFFFAOYSA-N 315.280 2.462 0 40 DEAB CC(=O)Nc1nc(CC(=O)NCCc2ccc(F)cc2)cs1 44174243 ULSMIAXJWDZXEC-UHFFFAOYSA-N 321.377 2.142 0 40 DEAB Cc1nn(C)c(C)c1-c1nn2c(-c3ccccn3)nnc2s1 49548927 BZDSVTDZLJDAJX-UHFFFAOYSA-N 311.374 2.265 0 40 DEAB CCCCCNC(=O)c1cccc(N(C)S(=O)(=O)CC)c1 225968473 BZXUEJZDQKTLHK-UHFFFAOYSA-N 312.435 2.393 0 40 DEAB O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)NC1CC1 48625612 VGSDBBKMJKPAAU-UHFFFAOYSA-N 310.353 2.483 0 40 DEAB Cc1noc(CNC(=O)c2csc(-c3ccccc3)n2)n1 42383285 SRFFPAFCZGRSCI-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB Cn1c(NC(=O)CCOC2CCOCC2)nc2cc(F)ccc21 84555422 BIQPHBUHYFAQKS-UHFFFAOYSA-N 321.352 2.237 0 40 DEAB O=C(c1ccoc1)N1CCC(Nc2cccc(CO)c2)CC1 190998839 AFYVGTVUZLMBEO-UHFFFAOYSA-N 300.358 2.489 0 40 DEAB Cc1nnc([C@@H](C)OC(=O)c2cnn(-c3ccc(F)cc3)n2)o1 96416181 MDAHUKZRHDRUPA-MRVPVSSYSA-N 317.280 2.016 0 40 DEAB Cc1cnc(N2CCC3(CC2)C[C@@H](N2CCCC2)CO3)nc1 96158646 DKAKZNWSVFFPMY-OAHLLOKOSA-N 302.422 2.009 0 40 DEAB COCCN1CCC2(CCC(=O)N2Cc2csc(C)n2)CC1 96228176 BFHXCBDIZPTCED-UHFFFAOYSA-N 323.462 2.055 0 40 DEAB O=C(NCCC1=CCCCC1)c1noc(-c2ccc[nH]c2=O)n1 96125543 ZNUGJOBAMIJJTM-UHFFFAOYSA-N 314.345 2.045 0 40 DEAB CCN1CCOC[C@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 96228876 UJIQSACLCDOJQH-QGZVFWFLSA-N 322.474 2.252 0 40 DEAB NC(=O)CNC(=O)c1cccc(N[C@@H]2CCC[C@@H](C3CC3)C2)c1 92154609 HIFYFKVVFSIZPK-UKRRQHHQSA-N 315.417 2.282 0 40 DEAB CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1nncn1CC 96455577 SPRYYLOTRASQOR-NWDGAFQWSA-N 311.455 2.162 0 40 DEAB CO[C@@H](C(=O)Nc1cc(Cl)c(=O)n(C)c1)c1ccccc1 96473802 XBRTVAYZJYZVJG-CYBMUJFWSA-N 306.749 2.365 0 40 DEAB COC[C@@H](O)CN(C)C(=O)c1cccc(-c2csc(C)n2)c1 96461606 KOMRAZOLDVDFRQ-AWEZNQCLSA-N 320.414 2.198 0 40 DEAB O=C(NCc1cncc2c1CCN(Cc1ccoc1)C2)C1CC1 96189490 HZSLQFRJSQTZEN-UHFFFAOYSA-N 311.385 2.259 0 40 DEAB CCc1n[nH]c(=O)c(CNC(=O)c2cc(C)oc2C)c1CC 96475461 ISPVCSGQJOKWGO-UHFFFAOYSA-N 303.362 2.035 0 40 DEAB COc1ccc(NC(=O)N[C@@H]2CCCCNC2=O)c(Cl)c1 96403314 WWZDWJCSUMKJNQ-GFCCVEGCSA-N 311.769 2.139 0 40 DEAB CCc1ccc(C(=O)OCCn2cnc3ccsc3c2=O)o1 96416267 VRGMKMSRZNNADN-UHFFFAOYSA-N 318.354 2.470 0 40 DEAB O=C1NCCC[C@H]1NCc1cccc(OCc2ccccn2)c1 96402782 MYPMFUHOOGHMFZ-QGZVFWFLSA-N 311.385 2.029 0 40 DEAB COC[C@H]1CCN(C(=O)C(=O)Nc2cccc3ccccc23)C1 96418152 OZCNHKALZFOZTB-ZDUSSCGKSA-N 312.369 2.273 0 40 DEAB CCN1CCN(CCCCNC(=O)N2CCC[C@H](C)[C@@H]2C)CC1 96439222 IRVXUKZXCCEHAQ-IRXDYDNUSA-N 324.513 2.234 0 40 DEAB COCCC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)[C@@H]2C1 96080505 ADRNTWROVABNKC-DZGCQCFKSA-N 308.809 2.019 0 40 DEAB COC[C@@H]1CCN(C)C2(C1)CN(C(=O)c1ccc(C)c(C)c1)C2 248151368 UFPHUJVINAKFEE-MRXNPFEDSA-N 316.445 2.486 0 40 DEAB c1cc2n(n1)[C@@H](COCC1CCOCC1)CN(C1CCC1)C2 253595689 HMSPEQFZMVUFPS-QGZVFWFLSA-N 305.422 2.236 0 40 DEAB C[C@H]1CN(C[C@H](O)COCC[C@@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 252504460 BTWIPZIBMYFMPI-MULDDASSSA-N 311.466 2.299 0 40 DEAB CCc1nccn1CCC(=O)N1CCCC[C@H]1c1ccn[nH]1 257344229 ZWEYYFFRIHEKDL-AWEZNQCLSA-N 301.394 2.313 0 40 DEAB CCO[C@H]1C[C@@](NC(=O)c2ccoc2CC)(C(=O)O)C1(C)C 263538561 PTDIAHWNDRBTPO-BLLLJJGKSA-N 309.362 2.230 0 40 DEAB CC(C)c1ccc(C(=O)NCCCN2CCCO[C@H](C)C2)nc1 290513012 UBPVWAKJEJHUBI-OAHLLOKOSA-N 319.449 2.436 0 40 DEAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2ncccn2)C1 575608065 WCISFCIPCMQVBK-CYBMUJFWSA-N 317.776 2.352 0 40 DEAB Cc1ccc2cc(CNC[C@H](O)COC(C)C)c(O)nc2c1 585291675 BAGSFKYBVPPWQC-HNNXBMFYSA-N 304.390 2.124 0 40 DEAB CCCNC(=O)COc1ccc(N(C)C(=O)NC(C)C)cc1 54246913 PBGXTKCGUHGJCI-UHFFFAOYSA-N 307.394 2.146 0 40 DEAB O=C(c1ccncc1F)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565521882 FNRMMKMOEBCJCQ-RYUDHWBXSA-N 300.337 2.426 0 40 DEAB COc1ccccc1CC(=O)Nc1ccc2c(c1)CC(=O)N2C 74983644 AHVVUCSSUJVPCM-UHFFFAOYSA-N 310.353 2.395 0 40 DEAB Brc1cnn(CC2CN(CC3CCOCC3)C2)c1 1889065081 XBLCXFANFFMRDU-UHFFFAOYSA-N 314.227 2.004 0 40 DEAB CCOC(=O)c1oc(N)c(C(=O)NCc2ccccc2)c1C 12016213 LCFDXTMYESHECD-UHFFFAOYSA-N 302.330 2.277 0 40 DEAB COc1ccc(-c2cc(CC(=O)NC(C)C)no2)cc1OC 12867494 DSXXEEFZXJKCNF-UHFFFAOYSA-N 304.346 2.426 0 40 DEAB Cc1cccc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)n1 19236221 OEGJWZOGWVWMLH-HNNXBMFYSA-N 324.428 2.273 0 40 DEAB CSc1cc(C)ccc1CNC(=O)c1ccn(C)c(=O)c1 151246236 ARAMQLOXRVIYSY-UHFFFAOYSA-N 302.399 2.346 0 40 DEAB CCOc1ccc(NC(=O)NCc2ccnc(N(C)C)n2)cc1 207981191 FPBDKJSIECHFIW-UHFFFAOYSA-N 315.377 2.263 0 40 DEAB OC[C@]12CCCC[C@H]1CN(c1cc(C(F)(F)F)ncn1)C2 1888843942 DAKQLPFDMKJKQU-GXFFZTMASA-N 301.312 2.484 0 40 DEAB O=Cc1cc(Br)ccc1OCC(=O)N1CCCC1 20297699 SOVYOTONSLYADL-UHFFFAOYSA-N 312.163 2.263 0 40 DEAB O=C(c1cc[nH]c1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 1146883443 DPYBAVFMBAZEOQ-MRXNPFEDSA-N 323.396 2.151 0 40 DEAB Cc1nc(C(=O)N2CCC3(CC2)C[C@@H](N(C)C)CCO3)cs1 1565554658 XDDQPDJRMYNFAP-ZDUSSCGKSA-N 323.462 2.167 0 40 DEAB COc1c(C)cc(S(=O)(=O)NCc2cccnc2)cc1C 7572418 CSMKVYPRAUJSCM-UHFFFAOYSA-N 306.387 2.186 0 40 DEAB Cc1cc(C)nc(SCCCNC(=O)Nc2ncccn2)n1 10220858 LJEAOJVAGBHJKJ-UHFFFAOYSA-N 318.406 2.187 0 40 DEAB c1csc(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)n1 2055738743 NSNNGKQQVLUZIR-LBPRGKRZSA-N 318.446 2.374 0 40 DEAB COCCn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21 100825302 HCQNWDHOLBVRJK-PFONDFGASA-N 324.427 2.056 0 40 DEAB CC(C)(CNCc1ccc(Br)o1)N1CCOCC1 20120597 NATQBRAUDNHIST-UHFFFAOYSA-N 317.227 2.243 0 40 DEAB O=C(CCn1c(=O)oc2ccccc21)n1c(=O)oc2ccccc21 36804 JOXVYIMPLRNFCE-UHFFFAOYSA-N 324.292 2.233 0 40 DEAB COc1ccccc1NC(=O)NC[C@@H](O)COc1ccccc1 31088463 UQUROGBRMXSBKB-CYBMUJFWSA-N 316.357 2.257 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)N(CC)CC)ccc21 428758 MWVQVBJFBVBCKQ-UHFFFAOYSA-N 310.419 2.016 0 40 DEAB COc1cccc2sc(NC(=O)[C@@H](NC(C)=O)C(C)C)nc12 40461301 MUMANOUIKJLWPL-LBPRGKRZSA-N 321.402 2.404 0 40 DEAB CC(C)(C)CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 40489328 HYTXBCOXCZXBFI-INIZCTEOSA-N 304.434 2.440 0 40 DEAB O=C(Cc1cccc(F)c1)NC[C@@H]1COc2ccccc2O1 7756979 OOMYHDHUTPHOLC-CQSZACIVSA-N 301.317 2.324 0 40 DEAB COCCOCCNC(=O)Cc1nc(-c2ccsc2)oc1C 69416614 ZMHYWGUANAOTTF-UHFFFAOYSA-N 324.402 2.033 0 40 DEAB COC[C@@H](C)NC(=O)c1ccc(OCc2cccnc2)cc1 40498516 ADZARVHMUHPYLW-CYBMUJFWSA-N 300.358 2.425 0 40 DEAB COc1cccc(CNC(=O)c2cc(C3CC3)on2)c1OC 40498904 TYGPHTXEPMJSKP-UHFFFAOYSA-N 302.330 2.499 0 40 DEAB Cc1nn(C)c2cnn(CCCNC(=O)C3CCCCC3)c12 57279044 FMSGXVQMYHIENO-UHFFFAOYSA-N 303.410 2.165 0 40 DEAB COc1ccccc1[C@H](C)NS(=O)(=O)N1CCC(C)CC1 32755575 HDNUVZDAFLJKBY-ZDUSSCGKSA-N 312.435 2.323 0 40 DEAB COC(=O)c1oc(CN2CCN(c3ccccn3)CC2)cc1C 32825158 ZASRSZJDMVMYGM-UHFFFAOYSA-N 315.373 2.092 0 40 DEAB CN1C[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1=O 32818006 HKIRLFAHNOZIGD-CQSZACIVSA-N 323.396 2.262 0 40 DEAB O=C(Nc1nc[nH]n1)[C@H]1C[C@@H]1c1ccccc1Br 69437060 CNWXWOWSDDHFFN-BDAKNGLRSA-N 307.151 2.309 0 40 DEAB O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccncc1 41246829 OAWWACYBKHCSKN-KRWDZBQOSA-N 323.396 2.045 0 40 DEAB CC(C)c1noc(CCCNC(=O)NCc2ccccn2)n1 60330649 CCLYNVCJIOMCRC-UHFFFAOYSA-N 303.366 2.020 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCCc2ccccc2)c1C 28577832 MLDMLMYIBXSNOF-UHFFFAOYSA-N 307.419 2.041 0 40 DEAB COc1cccc(CO[C@@H](C)C(=O)Nc2nnc(C)s2)c1 33245781 VXXJLTYKAASJFQ-VIFPVBQESA-N 307.375 2.399 0 40 DEAB Cc1cc(=O)[nH]c(SCc2cn3c(C)cc(C)nc3n2)n1 2685217 ABOPOWLHPRTJNP-UHFFFAOYSA-N 301.375 2.030 0 40 DEAB COc1ccccc1[C@@H](C)N(C)CCN1C(=O)NC(C)(C)C1=O 46531255 DOBQWKAQZANFBG-GFCCVEGCSA-N 319.405 2.018 0 40 DEAB O=C(C[C@@H]1CCCO1)N1CCC[C@H](c2nnc3ccccn23)C1 46784889 LHAHFVIZXZEXSD-KBPBESRZSA-N 314.389 2.004 0 40 DEAB NC(=O)C1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 42567577 MLTSJDBMIWSUIF-QWRGUYRKSA-N 306.328 2.079 0 40 DEAB O=C(Cc1cccs1)Nc1cccc(N2CCNC2=O)c1 47039971 LMFAOHOCPANDGP-UHFFFAOYSA-N 301.371 2.459 0 40 DEAB CCOc1ccc(S(=O)(=O)Nc2nnc[nH]2)c2ccccc12 105564585 LFQACDHGIQVYIC-UHFFFAOYSA-N 318.358 2.157 0 40 DEAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)c2ccc(O)nc2)C1 106829735 XFEVZUCYLKSXKN-CZUORRHYSA-N 311.385 2.353 0 40 DEAB O=C(CCNc1ncccn1)Nc1ccn(Cc2ccccc2)n1 57184969 WQGPMVJZOCKSCY-UHFFFAOYSA-N 322.372 2.162 0 40 DEAB Cc1ccc([C@@H]2CN(C(=O)NCCC3=CCOCC3)CCO2)o1 89652643 FZOLQOBQUCIHOA-INIZCTEOSA-N 320.389 2.408 0 40 DEAB Cc1nc(C)c(CCC(=O)N(C)Cc2cccs2)c(=O)[nH]1 57794999 MGWFSFJHTXAEHE-UHFFFAOYSA-N 305.403 2.039 0 40 DEAB CN(C)C1(CN2C(=O)c3ccccc3S2(=O)=O)CCCCC1 44644620 KRVQFZLFSVJXLN-UHFFFAOYSA-N 322.430 2.096 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)N2CC(=O)Nc3ccccc32)c1C 58189519 SRLDCFQVGKAHOT-UHFFFAOYSA-N 311.341 2.433 0 40 DEAB CC1(C)CN(C(=O)c2cncn2-c2ccc(F)cc2)CCO1 27639885 BCNDEQWJROTUDF-UHFFFAOYSA-N 303.337 2.262 0 40 DEAB Cc1cc([C@@H]2CCCN2CC(=O)NCc2cccs2)no1 27882991 AEECFYWGAKNQFY-AWEZNQCLSA-N 305.403 2.498 0 40 DEAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1cnccn1 8191424 CEKLGNVEXWXJIZ-UHFFFAOYSA-N 306.705 2.258 0 40 DEAB O=C(CSc1cccc[n+]1[O-])N1CCCc2ccccc21 3222602 ZAGCOGQHZQEXBU-UHFFFAOYSA-N 300.383 2.392 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3nc4ccccc4s3)nn12 3252446 FLGSCLNMLXDXRX-UHFFFAOYSA-N 310.342 2.295 0 40 DEAB C[C@H](NCc1cn(C)nc1-c1ccncc1)[C@@H](C)n1cccn1 69372366 ZWUKVWYBQMBHHP-UONOGXRCSA-N 310.405 2.418 0 40 DEAB CC(C)=CCOc1cccc(C(=O)N2CCS(=O)CC2)c1 96426418 JAMFKFYRNXGGJN-UHFFFAOYSA-N 307.415 2.236 0 40 DEAB CNC(=O)C1(C(=O)NC[C@@H](c2ccccc2)C(C)C)CCC1 69669595 GIOPLLSYRMCPMN-OAHLLOKOSA-N 302.418 2.459 0 40 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0 40 DEAB CC(C)CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccccn1 96041481 VHZUQHQEAMYAJS-LZLYRXPVSA-N 318.417 2.055 0 40 DEAB COCCOC1CN(C(=O)c2cc(Cl)ccc2Cl)C1 96450021 MUOHLYMHPLXSBD-UHFFFAOYSA-N 304.173 2.481 0 40 DEAB COc1ccccc1[C@@H]1CN(C2CCOCC2)CCN1C(C)=O 257204870 AWQIGKWNHSYBCT-KRWDZBQOSA-N 318.417 2.079 0 40 DEAB O=C(c1ccccc1)N1CCC(c2cc(O)n3nccc3n2)CC1 257332247 XWKITNCDJMGHNX-UHFFFAOYSA-N 322.368 2.455 0 40 DEAB Cn1nccc1COCC(=O)Nc1nc2c(s1)CCCCC2 284005712 MVPQNYVZNBYTPI-UHFFFAOYSA-N 320.418 2.301 0 40 DEAB CCn1cc(CN2CC[C@@](O)(COc3ccccc3C)C2)cn1 585278592 UJFATRCRWXIXSI-SFHVURJKSA-N 315.417 2.227 0 40 DEAB Cc1nnnn1-c1cccc(NCc2nc(CC(C)C)no2)c1 55841138 OPXLXHKIJJGAIZ-UHFFFAOYSA-N 313.365 2.164 0 40 DEAB Cn1cc([C@@H]2CCCN2CC(=O)NC2CCCCCC2)cn1 70039986 KRRZOPYGJXIVHD-INIZCTEOSA-N 304.438 2.396 0 40 DEAB Cc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@@H]2CO)c(F)c1 95430545 CDXRFHDHDXPWNM-VXGBXAGGSA-N 301.383 2.058 0 40 DEAB O=C(O)c1cnc(N2CCOCC2)nc1-c1ccc(Cl)cc1 169751154 NXKVHOCXOSLNAZ-UHFFFAOYSA-N 319.748 2.332 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 14171752 APSAHKCRNAVHMN-UHFFFAOYSA-N 321.340 2.478 0 40 DEAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 17031513 KAOPLNCRJKGLOK-YRNVUSSQSA-N 307.327 2.206 0 40 DEAB Cc1ccc(F)cc1S(=O)(=O)NCc1ccnc(N(C)C)c1 32435170 CMIKRTXIXLNBET-UHFFFAOYSA-N 323.393 2.074 0 40 DEAB O=C(c1ccc2ncsc2c1)N1CC(Nc2ncccn2)C1 238827438 FBZKXHJOMDIXCX-UHFFFAOYSA-N 311.370 2.023 0 40 DEAB NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1 54436 SBBOGYWBXBYVAO-UHFFFAOYSA-N 312.663 2.376 0 40 DEAB N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(C(=O)O)cc2)N1 18053425 FEIVUMURKLUXBC-ZDUSSCGKSA-N 307.313 2.231 0 40 DEAB Cc1ccc(-c2nc(CNC[C@H]3CN(C)CCO3)co2)c(C)c1 69879849 KMWMYLLOIDPZQE-INIZCTEOSA-N 315.417 2.379 0 40 DEAB Cc1cc(C)nc(SCCN2C(=O)c3ccccc3C2=O)n1 983746 BQVDPFDNWLMYQQ-UHFFFAOYSA-N 313.382 2.482 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc(CO)cc1 2645746 LJFKYQKICKFSIJ-CHWSQXEVSA-N 305.374 2.125 0 40 DEAB Nc1ccc(S(=O)(=O)n2c(=O)oc3cc(Cl)ccc32)cc1 1582843 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O=C(c1cccc(F)c1)N1CCC[C@@H](C(=O)N2CCCC2)C1 524790 GTFUNIQBBNAIKX-CQSZACIVSA-N 304.365 2.300 0 40 DEAB COc1ccc(C2=NO[C@@H](CNC(=O)c3ccco3)C2)cc1 542073 LPACTPHTYBEBKY-CYBMUJFWSA-N 300.314 2.211 0 40 DEAB CN1C[C@H](C(=O)N(C)Cc2csc3ccccc23)CC1=O 46921498 YOJDLARRAUFIIL-LLVKDONJSA-N 302.399 2.338 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)NCCCNC(C)=O 46905019 WXVYZAKCOQDSBQ-ZDUSSCGKSA-N 309.435 2.293 0 40 DEAB COc1ccc(C(=O)CN2C(=O)CN(c3ccccc3)C2=O)cc1 47170657 FOSJMISEWOSGAG-UHFFFAOYSA-N 324.336 2.347 0 40 DEAB CCc1noc([C@H](C)N[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)n1 76056433 NIHWAFHAXIMQSK-AVGNSLFASA-N 308.426 2.176 0 40 DEAB CCCn1c(SCC(=O)OCC)nnc1-c1ccncc1 58871594 XKRASBLZQJIICX-UHFFFAOYSA-N 306.391 2.405 0 40 DEAB Cn1c(SCC(=O)O)nnc1-c1c(F)cccc1Cl 116937248 MQEXFQCWEJYSKZ-UHFFFAOYSA-N 301.730 2.451 0 40 DEAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1ccccn1 55623544 HSSQBLYQTOAXFW-UHFFFAOYSA-N 319.364 2.222 0 40 DEAB Cc1ccc(OCC(=O)NCc2nc(C3CC3)no2)cc1C 55705830 NXUGZWGTZJWKAL-UHFFFAOYSA-N 301.346 2.259 0 40 DEAB C[C@H]1CN(C(=O)c2cncn2-c2ccc(F)cc2)C[C@H](C)O1 12540383 ZJGQSHRFLIXCMG-RYUDHWBXSA-N 303.337 2.261 0 40 DEAB COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC(C)C 78484221 PTLGVSSUACENGQ-HNNXBMFYSA-N 302.374 2.414 0 40 DEAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2S(=O)(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]12 100366990 ZBFAHGPVNZFJMD-PCYZQDADSA-N 304.411 2.146 0 40 DEAB Cc1ccc(C)c(NC(=O)[C@@H](C)N(C)Cc2cnn(C)c2)c1 27539446 VBCLOTHPKKEXBI-CQSZACIVSA-N 300.406 2.496 0 40 DEAB C[C@@H](Nc1nccc(C(F)(F)F)n1)C(=O)NC1CCCC1 58141628 WESOSFOJUBQDQG-MRVPVSSYSA-N 302.300 2.355 0 40 DEAB COc1cccc(CC(=O)NCCCn2nc(C)cc2C)c1 44866929 LWEQTWANXFFRQH-UHFFFAOYSA-N 301.390 2.258 0 40 DEAB COc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1O 10219355 DNJZBMRYYJVTSF-UHFFFAOYSA-N 321.354 2.057 0 40 DEAB C[C@@H](NC(=O)N1CCN(Cc2cccs2)CC1)[C@H]1CCCO1 44910473 QFPCGXBLRCLSGX-UKRRQHHQSA-N 323.462 2.143 0 40 DEAB NC(=O)C[C@@H](NC(=O)c1cncc(F)c1)c1cccc(Cl)c1 177040940 FYAKWMVOSCPFCT-CYBMUJFWSA-N 321.739 2.221 0 40 DEAB CCO[C@@H](CC)C(=O)NCc1ccc(-n2ccnc2)c(F)c1 58393894 WYATVWNNUGCQBE-HNNXBMFYSA-N 305.353 2.443 0 40 DEAB Cc1cc(C(=O)N2CCC(c3nnc4ccccn34)CC2)on1 28736643 LBOJDPCEBWEZEZ-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccccc1F 8748083 FJXJHEHZJDYPDN-UHFFFAOYSA-N 311.316 2.334 0 40 DEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1cccc(F)c1 3505311 MVFGFXAZWRWXHT-UHFFFAOYSA-N 319.336 2.019 0 40 DEAB CCc1nnc2n1C[C@H](CNc1cnc3ccccc3n1)CC2 71859573 VGNKGRHTXPBRNQ-LBPRGKRZSA-N 308.389 2.458 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NCCNC(=O)c1ccoc1 65447560 YCALXBKGDPRZJI-UHFFFAOYSA-N 321.402 2.328 0 40 DEAB CCN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 19371170 TTXBPVDVCMPYNI-UHFFFAOYSA-N 312.413 2.419 0 40 DEAB COC(=O)c1ccc(NCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 6399117 UOVSEKJOIXIFRG-CHWSQXEVSA-N 304.390 2.390 0 40 DEAB C[C@@H](O)CN1CCN(Cc2coc(-c3ccccc3)n2)C[C@H]1C 71864368 FXGBWBNRDVKSNR-HUUCEWRRSA-N 315.417 2.229 0 40 DEAB CCCCOCCCNC(=O)c1ccc(S(C)(=O)=O)cc1 14244406 WKOLUAPAPUBSHA-UHFFFAOYSA-N 313.419 2.027 0 40 DEAB CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)C2(C)C)c1 71284771 CLBWDIBTXNZZHX-STQMWFEESA-N 318.373 2.120 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1C 71870330 IRWIUUTUJDSBJR-LBPRGKRZSA-N 319.434 2.428 0 40 DEAB COc1cc(CNCc2ccccc2CO)cc2c1OCCO2 67247758 UBRBPOUWOVKHIH-UHFFFAOYSA-N 315.369 2.249 0 40 DEAB Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H](C)Cn1cncn1 68087319 QQBYKDOINOTXHE-LBPRGKRZSA-N 323.400 2.191 0 40 DEAB C[C@H](OCC1CC1)C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 83888766 FRRIILVKZSGETP-GWCFXTLKSA-N 305.378 2.426 0 40 DEAB CCc1ccc(CNC(=O)CS(=O)(=O)[C@H](C)C(C)C)s1 83825490 GQRLPMPKODVOCT-LLVKDONJSA-N 317.476 2.386 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NC[C@H](O)C1CCCCC1 69494450 QNVLZXFRZUWAMG-RVSPLBMKSA-N 319.401 2.272 0 40 DEAB CS(=O)(=O)CCSc1nc(-c2ccc3c(c2)CCC3)n[nH]1 78876885 MFILBHORWXJZJA-UHFFFAOYSA-N 323.443 2.097 0 40 DEAB CCc1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)on1 78953047 UZUVIHKNPWBTRB-CABCVRRESA-N 320.437 2.394 0 40 DEAB Cc1ccc2cccc(C(=O)NC[C@@H](O)C3CCOCC3)c2n1 72294993 AMYWONFSXTWWDW-MRXNPFEDSA-N 314.385 2.061 0 40 DEAB CC[C@]1(CO)CCCN1Cc1nc(N)c2c(C)c(C)oc2n1 97104100 UOBRKQZTESHAJE-MRXNPFEDSA-N 304.394 2.159 0 40 DEAB CCOC(=O)CN(C(=O)c1cnc(C)cn1)c1ccccc1F 84793486 RMJQOESPAWDPPL-UHFFFAOYSA-N 317.320 2.134 0 40 DEAB CCc1nc(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)c[nH]1 95429530 IGDYTALKEHFNRE-CYBMUJFWSA-N 303.362 2.387 0 40 DEAB CNC(=O)c1cccnc1N1CC=C(c2ccc(O)cc2)CC1 95403039 FBMDXQURZMKCCY-UHFFFAOYSA-N 309.369 2.441 0 40 DEAB CN(C)[C@H]1CCCN(S(=O)(=O)c2cc3ccccc3o2)C1 84938009 QEFLKYWTCBKBGB-ZDUSSCGKSA-N 308.403 2.148 0 40 DEAB Cc1c(C(=O)N2CCOC[C@@H]2C(=O)O)sc2ccccc12 88376157 KZNOGOOUUTVHEF-LLVKDONJSA-N 305.355 2.135 0 40 DEAB Cc1cnc([C@H](NC(=O)N2CCC[C@H](CO)C2)C2CC2)s1 74705132 REEVYCIRJHVTIZ-WCQYABFASA-N 309.435 2.317 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)CN(C)C1(C(N)=O)CCCC1 89589105 HPOVULHYQMMHHY-UHFFFAOYSA-N 323.824 2.317 0 40 DEAB CC1(C)NC(=O)N(CCN(Cc2ccccc2F)C2CC2)C1=O 26907189 RRXBVHCMCGPVAI-UHFFFAOYSA-N 319.380 2.121 0 40 DEAB COCCCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 66776358 KYXXSWFSIKCETH-UHFFFAOYSA-N 304.394 2.166 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N2CC[C@@H](C)C[C@@H]2C)c1 77585740 CIRVORKWEYCXPB-KGLIPLIRSA-N 317.433 2.419 0 40 DEAB Cc1cnccc1CCN1CCN(c2ncccc2F)CC1 564912485 PFKGZKKYUXFEOH-UHFFFAOYSA-N 300.381 2.289 0 40 DEAB C[C@H]1CN(CCSc2nnc(-c3ccccc3F)[nH]2)CCO1 188199048 SRUKUZRFXIQYRU-NSHDSACASA-N 322.409 2.424 0 40 DEAB C[C@@H]1C[C@@H](N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)C(=O)O1 78394019 GQRZYASNEOWHBY-FRRDWIJNSA-N 312.410 2.022 0 40 DEAB C[C@@H](c1cccnc1)N1CCN(C(=O)CC[C@H]2CCCO2)CC1 79353341 ZWWHGPCRYXYJOJ-DOTOQJQBSA-N 317.433 2.246 0 40 DEAB COCCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl 225283764 FJHGLDSRHUYXGR-UHFFFAOYSA-N 316.810 2.450 0 40 DEAB O=C(NC[C@@H]1CC[C@H](O)C1)NCC1(c2ccccc2F)CC1 195578335 VZHZIQUWPOBGLE-OLZOCXBDSA-N 306.381 2.318 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 225428252 YVMBCDRCIYLHHL-CYBMUJFWSA-N 303.387 2.069 0 40 DEAB Cc1cc(O)nc([C@@H](C)N2CCO[C@H](c3nc(C)cs3)C2)n1 192561891 YLEUWIYKNQRDOC-NEPJUHHUSA-N 320.418 2.390 0 40 DEAB O=C(O)[C@H](c1cccc(Cl)c1)N1CCC[C@H](n2cncn2)C1 571097220 QBMWKPFRTOQJJB-KBPBESRZSA-N 320.780 2.394 0 40 DEAB COCCNC(=O)c1ccc(Nc2ccccc2OC)c(N)c1 225429909 RZJLGDIENGZHQN-UHFFFAOYSA-N 315.373 2.397 0 40 DEAB Cc1cccc(NC(=O)C[C@@H](C)NC[C@]2(O)CCSC2)c1 531738338 KJIXJNYQSKPLTF-CZUORRHYSA-N 308.447 2.170 0 40 DEAB c1cncc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2cccnc2)c1 96041685 BGPXYNIWNDVRSK-RCCFBDPRSA-N 311.385 2.287 0 40 DEAB O=S(=O)(c1cccnc1)N(C[C@H]1CCCO1)C1CCCC1 96428548 IDCXEULSENNKDF-CQSZACIVSA-N 310.419 2.194 0 40 DEAB O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)c1ccoc1 96260663 VCIOQVCHOABZHU-OAHLLOKOSA-N 312.369 2.139 0 40 DEAB OCCN1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 96241326 OEQWKTYZVVDLED-UHFFFAOYSA-N 323.440 2.428 0 40 DEAB CN(C)c1cc(N2CC3(C[C@@H](OCC4CC4)CS3)C2)ncn1 248131742 QMMLXSJNWNSNLC-CYBMUJFWSA-N 320.462 2.034 0 40 DEAB O=C(NCc1ccccn1)c1cccnc1O[C@H]1CCSC1 252501345 UENZTSAYZUSZPL-ZDUSSCGKSA-N 315.398 2.291 0 40 DEAB CN(C)Cc1cncc([C@@H]2CCCN2CC2CCOCC2)n1 257322874 WHUCOSHFRLMHSX-KRWDZBQOSA-N 304.438 2.102 0 40 DEAB CNc1cc([C@H]2CCCN2S(=O)(=O)c2cccnc2)ccn1 257270558 MUSHBZYHLJINLQ-CQSZACIVSA-N 318.402 2.044 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@H](Oc3ncccc3F)CCO2)C1 575402823 CLXUFWPQZYFDQB-CYBMUJFWSA-N 320.364 2.160 0 40 DEAB COCC[C@H]1CCOC12CCN(Cc1cccnc1OC)CC2 585105558 ZUAPZQMPQKTOEQ-INIZCTEOSA-N 320.433 2.498 0 40 DEAB CCOC[C@H]1CCn2cncc2CN1Cc1cccnc1OC 585098042 SQPNJPBGYHOPDJ-OAHLLOKOSA-N 316.405 2.098 0 40 DEAB O=C(c1cc2ccccc2[nH]1)N1CC[C@H](Oc2cnsn2)C1 828147206 VYUPYBFUMIGRHR-NSHDSACASA-N 314.370 2.313 0 40 DEAB C[C@H](C1CC1)N(C(=O)Cn1cnc2ccsc2c1=O)C1CC1 53651101 JWRDQQSCEJDKAQ-SNVBAGLBSA-N 317.414 2.248 0 40 DEAB Cc1noc(C2CCN(C(=O)c3n[nH]c4ccccc34)CC2)n1 54703921 VYEKUFQOCCXCEX-UHFFFAOYSA-N 311.345 2.274 0 40 DEAB CCS(=O)(=O)N1[C@H](COc2ccc(F)cc2)[C@H]2CC[C@@H]1C2 12085374 USMFCRCFQNUNJL-NJZAAPMLSA-N 313.394 2.407 0 40 DEAB Cc1cccc([C@@H]2NC(=O)NC3=C2C(=O)N(Cc2ccco2)C3)c1 12346212 XATYFJMNUFUYOD-INIZCTEOSA-N 323.352 2.238 0 40 DEAB CCCCCOc1ccc(NC(=O)C(=O)NCCCOC)cc1 15014022 FFWLJJMCJBGHOW-UHFFFAOYSA-N 322.405 2.347 0 40 DEAB S=C(NCc1ccco1)N1CCN(Cc2ccccc2)CC1 19973454 NTPDEAUGBLTGNM-UHFFFAOYSA-N 315.442 2.472 0 40 DEAB O=C(Cn1cnc2ccccc21)N1CCNC[C@@H]1c1ccccc1 579112297 BLPSOQUEDCVYTH-GOSISDBHSA-N 320.396 2.209 0 40 DEAB CC(C)(C)C1CCC(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 13004988 CIOARNZUPBUAPQ-WXRRBKDZSA-N 301.452 2.142 0 40 DEAB Cc1csc2c(N3CCC[C@@H](NC(=O)C4CC4)C3)ncnc12 1058098050 DNOPPEXDIPEMOT-GFCCVEGCSA-N 316.430 2.495 0 40 DEAB O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCC[C@H](CF)C1 881592893 KKCYWXBPILBPOU-ZIAGYGMSSA-N 304.365 2.248 0 40 DEAB CCOC(=O)N[C@@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 37991452 RBVZEVFBMYISRY-LLVKDONJSA-N 311.769 2.086 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)NCCCOCC1CC1 22843616 QEPDPQDBAXPSII-UHFFFAOYSA-N 301.383 2.229 0 40 DEAB CO[C@H]1CCN(C(=O)[C@@]2(C)CC=CCC2)[C@H]1Cc1cnn(C)c1 1565552890 BHJQHXIGNDUNCV-BQFCYCMXSA-N 317.433 2.325 0 40 DEAB Cc1cc([C@H](O)CNC(=O)c2ccc3c(c2)OCO3)c(C)o1 1565520099 DSUOJYWHGKHMRS-CYBMUJFWSA-N 303.314 2.089 0 40 DEAB O=C(NCc1nccnc1-c1ccoc1)c1ccc2c(c1)OCO2 575620357 MHHBPIDGLWBYJW-UHFFFAOYSA-N 323.308 2.395 0 40 DEAB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2)s1 40460274 QCVGTYLGJBRZKH-UHFFFAOYSA-N 310.400 2.185 0 40 DEAB NC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1 61461 WTYWROCYRCQTCQ-UHFFFAOYSA-N 306.325 2.224 0 40 DEAB Cc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O 281509 QEEJJKJXIBRCNE-UHFFFAOYSA-N 324.446 2.210 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 69876559 AQCZNPCGFKLWAI-GFCCVEGCSA-N 314.788 2.008 0 40 DEAB O=C(CNC(=O)C1CCCCC1)OCC(=O)c1ccc(F)cc1 3427859 VJYYWZIQZGBBDX-UHFFFAOYSA-N 321.348 2.248 0 40 DEAB COc1ccc(OC)c(CNS(=O)(=O)c2cccs2)c1 6381239 WSQZJBAXNPUUTH-UHFFFAOYSA-N 313.400 2.244 0 40 DEAB CC(=O)Nc1ccc(C(=O)COC(=O)c2ccco2)c(F)c1 7166997 WETQLMZYKHXLSZ-UHFFFAOYSA-N 305.261 2.417 0 40 DEAB CC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 2620374 NBOYLTPDVCNZTK-UHFFFAOYSA-N 308.337 2.071 0 40 DEAB CCOC1CCN(Cc2cc(=O)n3cc(Cl)ccc3n2)CC1 71821794 SZZUCSLEVSFHAL-UHFFFAOYSA-N 321.808 2.349 0 40 DEAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3c(c1)OCO3)[C@@H]1C=C[C@@H]2C12CC2 100179879 ZGPBKMNGWPVKJX-GVARAGBVSA-N 309.321 2.117 0 40 DEAB COC(=O)c1ccccc1NC(=O)c1c(C)cc(=O)oc1C 526477 KKGSMOJZUKRQPP-UHFFFAOYSA-N 301.298 2.296 0 40 DEAB biogenic CCO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc(F)c(OC)c1)CCO2 107720599 HUJYTYOUESHDQY-FMKPAKJESA-N 323.364 2.243 0 40 DEAB C[C@H]1CN(c2ncnc3c2cnn3-c2ccccc2)C[C@H](C)O1 544614 VVAOCWGSSLOYEU-STQMWFEESA-N 309.373 2.429 0 40 DEAB Cc1cc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](O)C2)no1 53398375 VILBXWZXTUGDRA-HOCLYGCPSA-N 315.373 2.120 0 40 DEAB CC1(C)NC(=O)N(Cc2csc(Br)c2)C1=O 47348525 HGTXUJCWXORNNI-UHFFFAOYSA-N 303.181 2.341 0 40 DEAB COCCOCc1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 47589896 IBJLPCHJZGFLRM-ZIAGYGMSSA-N 322.405 2.491 0 40 DEAB NC(=O)c1cccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1 23082888 YUKIBXQHJCXZDX-UHFFFAOYSA-N 312.354 2.489 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3F)CC2)n1C 23442619 DIJJGWHFXPTVQU-UHFFFAOYSA-N 315.392 2.431 0 40 DEAB CCn1cc(CCC(=O)NCc2ccc3c(c2)OCO3)c(C)n1 28577016 DROPYHSBVAXCFI-UHFFFAOYSA-N 315.373 2.189 0 40 DEAB CC(C)n1ncc2c(/C(O)=N/S(C)(=O)=O)cc(C3CC3)nc21 77943318 DRAZIAJJVZYGDU-UHFFFAOYSA-N 322.390 2.154 0 40 DEAB CCc1cnc(CN(C)[C@@H]2CCN(CC3CCOCC3)C2)o1 78891881 IWNOLIAVQRBSEU-OAHLLOKOSA-N 307.438 2.170 0 40 DEAB Cc1cc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)no1 56323274 YRKDAFBZWAUICG-CHWSQXEVSA-N 309.366 2.175 0 40 DEAB CN(C)C(=O)COc1ccc(NC(=O)c2ccsc2)cc1 25992824 BRXIWKCSJMZLHS-UHFFFAOYSA-N 304.371 2.467 0 40 DEAB Cc1cccc(N2CCN(CCOC[C@@H]3CCCO3)[C@@H](C)C2)n1 110617910 VSIAKRANLXHSTH-IRXDYDNUSA-N 319.449 2.096 0 40 DEAB Cn1cnnc1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 58101181 UJJJBPNVEDECEW-CYBMUJFWSA-N 309.373 2.316 0 40 DEAB O=C(NC(=S)Nc1ccc(O)c(C(=O)O)c1)c1cccs1 20152352 XHMOEZGATCCNKC-UHFFFAOYSA-N 322.367 2.279 0 40 DEAB Cc1nc(CNC(=O)NCCCN2CCC[C@@H](C)C2)cs1 45343691 WUHXDNZGYOJUOY-GFCCVEGCSA-N 310.467 2.373 0 40 DEAB Cc1ccc(OCC(=O)OCC(=O)NC2CCCC2)cc1C 3478279 JLNSEMYQQPJLMJ-UHFFFAOYSA-N 305.374 2.284 0 40 DEAB CCOC(=O)CN(CC)S(=O)(=O)c1ccc(C)cc1Cl 38017480 LMESRPMZSLJEEM-UHFFFAOYSA-N 319.810 2.222 0 40 DEAB CC(=O)c1sc(NC(=O)CCC(=O)N2CCCCC2)nc1C 27913570 IEHBBGLHLSOIJS-UHFFFAOYSA-N 323.418 2.385 0 40 DEAB C[C@H](C(=O)NC(N)=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 63492220 SDHCVMMWWINKIQ-CXAGYDPISA-N 323.396 2.218 0 40 DEAB COc1ccc2c(c1)OC[C@H](C(=O)N(C)Cc1ccccn1)C2 64489498 CVCGWUPEDLJPEA-CQSZACIVSA-N 312.369 2.300 0 40 DEAB CC1(NC(=O)c2n[nH]c(=O)c3ccccc23)Cc2ccccc2C1 92613977 BBFOIYMFASYZRD-UHFFFAOYSA-N 319.364 2.210 0 40 DEAB Cc1ccc(-c2csc3ncn(CC(N)=O)c(=O)c23)c(C)c1 4341504 CVXXZPNNIPWHHT-UHFFFAOYSA-N 313.382 2.227 0 40 DEAB CCc1nc(C)c(C(=O)NCCNC(=O)C2CCCCC2)s1 65405094 DWFZZRWXDBEKED-UHFFFAOYSA-N 323.462 2.440 0 40 DEAB Cc1c(C(=O)O)cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 71289356 FZAHKPYILQWWOW-UHFFFAOYSA-N 313.317 2.447 0 40 DEAB CC[C@]1(C)Cc2c(sc3c2C(NN)=N[C@@H](SC)N3)CO1 4811983 WUDIAMAPLHOFLU-CHWSQXEVSA-N 312.464 2.272 0 40 DEAB COc1cc(CNC(=O)C2(OC)CCC2)c2ccccc2n1 96005677 NGIONFNFTJYDEN-UHFFFAOYSA-N 300.358 2.429 0 40 DEAB Cc1cccc(OCCC(=O)Nc2ccc(-n3cnnn3)cc2)c1 5936833 IJWVTLBLZXVXRO-UHFFFAOYSA-N 323.356 2.378 0 40 DEAB C[C@H](Sc1ccccn1)C(=O)Nc1ccc(C(N)=O)cc1 7699609 GEAYJXKPMOJJQH-JTQLQIEISA-N 301.371 2.300 0 40 DEAB COC(=O)Cn1c(SCC(C)C)nc2ccccc2c1=O 7753065 RGQDKKJYANFHIG-UHFFFAOYSA-N 306.387 2.318 0 40 DEAB C[C@]1(C(=O)NCc2n[nH]c(=S)n2C2CC2)CC1(Cl)Cl 71889183 BBRKYNDWQDCRPU-SNVBAGLBSA-N 321.233 2.476 0 40 DEAB O=C(CNC(=O)c1ccccc1)NCCSc1ccccc1 8361017 QBQWGOOTRUTMFQ-UHFFFAOYSA-N 314.410 2.325 0 40 DEAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cnc(N3CCCC3)nc2)c1 69463764 LUXKYSZNDKPHBF-CABCVRRESA-N 314.437 2.321 0 40 DEAB Cn1ccnc1CN1CCCN(C(=O)CC2CCCC2)CC1 69460745 TXBCURORYVIBAI-UHFFFAOYSA-N 304.438 2.035 0 40 DEAB CC[C@](C)(NC(=O)[C@H]1C[C@@H]1c1ccc(OC)cc1)C(=O)OC 69599462 JSPIPRGUYBYIML-KEYYUXOJSA-N 305.374 2.257 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1c(C)nn(C)c1C 69667813 WQIDVJQHZUIBOA-GJZGRUSLSA-N 304.438 2.126 0 40 DEAB CS[C@H]1CCC[C@@H]1NC(=O)N(CCO)Cc1ccccc1 83990490 CIZNGNGWOYYYOB-GJZGRUSLSA-N 308.447 2.475 0 40 DEAB Cc1ccc(NC(=O)Cc2c(O)[nH]c3ccccc3c2=O)nc1 9703994 NBGCFWFVFFRLFG-UHFFFAOYSA-N 309.325 2.118 0 40 DEAB COCc1cc(C(=O)N2CCC[C@H](c3noc(C)n3)C2)c(C)o1 72275783 ICXWBWGEMSMIJE-LBPRGKRZSA-N 319.361 2.446 0 40 DEAB CC(C)c1nc(CC(=O)N2CCC[C@@H](n3cncn3)C2)cs1 72234872 VECFIOYZFGJJCI-CYBMUJFWSA-N 319.434 2.264 0 40 DEAB CC(C)c1nc(CC(=O)N[C@H]2CCc3nccn3C2)cs1 97197897 IESYBGZGJAUAJP-NSHDSACASA-N 304.419 2.137 0 40 DEAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(N(C)C)ccn2)c1 97104165 MCCIZEUQAHIINF-UHFFFAOYSA-N 316.336 2.497 0 40 DEAB CCc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2ccccc2n1 97142331 WZVGOWIIQPBLQH-GFCCVEGCSA-N 304.415 2.421 0 40 DEAB COc1ccc2c(ccn2CC(=O)N[C@@H]2CCC[C@@H]2OC)c1 79102356 YVCWKTNPNZEHFA-ZBFHGGJFSA-N 302.374 2.334 0 40 DEAB O=C(NCCNc1ncccn1)[C@@H]1SCCc2ccccc21 72302803 FPITUANWDKLSII-CQSZACIVSA-N 314.414 2.035 0 40 DEAB C[C@@H](NC(=O)Nc1cccn(C)c1=O)[C@@H]1COc2ccccc21 95437924 AJGGRGDYYYHCSL-YPMHNXCESA-N 313.357 2.072 0 40 DEAB O=C(NC[C@H]1OCCc2sccc21)N1CC[C@]2(CCOC2)C1 95410608 GYLVJBPYMONTGG-CJNGLKHVSA-N 322.430 2.184 0 40 DEAB CC(C)[C@H](Nc1ccc2nccnc2n1)c1nnc2n1CCC2 95415008 KBTQVDMPJXHOCG-AWEZNQCLSA-N 309.377 2.372 0 40 DEAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cncnc1 95940472 SUDHIBCRPFBYRV-NSHDSACASA-N 318.327 2.011 0 40 DEAB COCCCn1nnc(Cc2cccc(Br)c2)n1 95939564 ZZYMCONTXWVHRO-UHFFFAOYSA-N 311.183 2.063 0 40 DEAB CO[C@H](CNC(=O)N[C@H]1CCC[C@@H]1O)c1ccc(Cl)cc1 74671975 CGORMDZAJUXVCI-MELADBBJSA-N 312.797 2.240 0 40 DEAB C[C@H](NC(=O)COc1ccccc1)[C@H](O)c1ccc(F)cc1 89598505 PVEJVYXGLHELFT-SJCJKPOMSA-N 303.333 2.443 0 40 DEAB Cc1cc(=O)[nH]c([C@H](C)Sc2nnc(-c3ccco3)n2C)n1 89599330 KRCVYWWCTSUCFF-VIFPVBQESA-N 317.374 2.320 0 40 DEAB CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@@H](c2ccn[nH]2)C1 89662624 LJVYZDZYPNPUIM-GFCCVEGCSA-N 322.409 2.031 0 40 DEAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccncc2)CC1 408710221 SPOJBDYOBQURFJ-UHFFFAOYSA-N 317.433 2.419 0 40 DEAB Cc1nc(O)c(I)cc1Br 409421775 JDUDDYRMKFBMPJ-UHFFFAOYSA-N 313.920 2.463 0 40 DEAB COc1ccccc1C(=O)N1[C@@H](C(=O)O)COC12CCCCC2 35517640 KASGLXTVUDMJDQ-CYBMUJFWSA-N 319.357 2.281 0 40 DEAB Cc1ccc(-c2ccc(C(=O)NCCN3CCOCC3)cc2)o1 72243335 UITOHXPXFASZQN-UHFFFAOYSA-N 314.385 2.317 0 40 DEAB O=C(CC[C@@H]1CCCO1)N1CCC(CN2CCCCC2=O)CC1 78797682 ODULPVRUUAERPN-INIZCTEOSA-N 322.449 2.197 0 40 DEAB CCOc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1Cl 74935371 AFJDECQFTNLEBY-SNVBAGLBSA-N 319.810 2.196 0 40 DEAB CO[C@H]1CCC[C@H]1OC(=O)c1ccc(N2CCOC2=O)cc1 78985665 XLDWCGRGNWXXPB-UONOGXRCSA-N 305.330 2.368 0 40 DEAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C)c(OC)c1 33757611 FHNJSSZSSDNXNZ-CQSZACIVSA-N 304.346 2.195 0 40 DEAB CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](O)(CN)c1ccccc1 72207947 ZFTLPBPZBWLJAC-WMLDXEAASA-N 308.422 2.382 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@H](C)N)C1 79415528 RUNLXNSEGOWYKS-DOTOQJQBSA-N 303.450 2.093 0 40 DEAB COCCN1CCC[C@@H](c2ccnc(Nc3ncccn3)c2)C1 72367899 HUUZOPPXFGLXMY-OAHLLOKOSA-N 313.405 2.441 0 40 DEAB Cc1nc(Nc2nccs2)cc([C@@H]2CCCN2CCO)n1 72360135 CCBYGWUZQSABIZ-LBPRGKRZSA-N 305.407 2.114 0 40 DEAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc(C(N)=O)cc3)C2)c1 565945610 VYASFBIMYKTJLC-HNNXBMFYSA-N 309.369 2.119 0 40 DEAB CCn1cccc1-c1noc(CNC(=O)Cc2cccs2)n1 225769470 CVVHEAJMHJYSIO-UHFFFAOYSA-N 316.386 2.478 0 40 DEAB CCO[C@@H]1C[C@](O)(CNC(=O)C2CCC(F)(F)CC2)C1(C)C 191772481 NVRDZJRCXIGQJH-DOMZBBRYSA-N 319.392 2.494 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(F)cc1 41779713 WHOMHHRIBRRPNH-LLVKDONJSA-N 322.361 2.131 0 40 DEAB COc1cccc(NC(=O)NC[C@@](C)(O)c2ccco2)c1OC 75156361 RRWRYQFDUKBOFR-MRXNPFEDSA-N 320.345 2.326 0 40 DEAB Cn1cccc1-c1noc(CNC(=O)c2ccc3[nH]ccc3c2)n1 225768004 DQONNGXPJXSIJU-UHFFFAOYSA-N 321.340 2.486 0 40 DEAB CCc1cc2c(CN3CCN(CC)CC3)cc(=O)oc2cc1O 20533351 PKIGYMMVHJFWHY-UHFFFAOYSA-N 316.401 2.199 0 40 DEAB biogenic CN(C)[C@H]1COC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 96063049 BGKXJFLOZNDYQD-OAHLLOKOSA-N 306.381 2.151 0 40 DEAB COC(=O)C[C@@H](c1ccc(F)cc1)c1oc(C)cc(=O)c1O 95475567 QSLRNMQKDUDRRV-LBPRGKRZSA-N 306.289 2.488 0 40 DEAB Cc1ccc(N2CCC[C@@]3(CCN(C(=O)C4CC4)C3)C2)nn1 96217127 KOCKPUDHMUGCDJ-QGZVFWFLSA-N 300.406 2.014 0 40 DEAB O=C(NCc1ccsc1)N1CCC(N2CCCCC2=O)CC1 96476143 CEAKFORNZLLUNM-UHFFFAOYSA-N 321.446 2.435 0 40 DEAB Cc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)no1 96448166 SYPLWWUVOSWDFK-UHFFFAOYSA-N 318.358 2.029 0 40 DEAB CCS(=O)(=O)CCN(C)C(=O)N[C@@H](C)c1ccc(C)s1 95443278 NLNZKOZTCBVWQR-NSHDSACASA-N 318.464 2.194 0 40 DEAB Cc1cccc(C(=O)N2CC[C@]3(CCN3C[C@@H]3CCCO3)C2)c1 96076021 GLVIVQROPZRUQB-HKUYNNGSSA-N 314.429 2.464 0 40 DEAB COc1ccc(CCN2CCO[C@H]3[C@@H](OC)CC[C@@H]32)cc1OC 97953722 XPOYLTTYFFQYJI-QILLFSRXSA-N 321.417 2.125 0 40 DEAB CCn1nc(C)c(CNC(=O)N[C@H]2CCCC[C@@H]2OC)c1C 96439896 UXLXRMKWTZEMHU-GJZGRUSLSA-N 308.426 2.277 0 40 DEAB c1csc(-c2n[nH]cc2CN2CCOC[C@H]2c2ccn[nH]2)c1 257302980 SFGYXYNZGZFMOJ-ZDUSSCGKSA-N 315.402 2.435 0 40 DEAB Cc1cc2nc(C3CCN(C(=O)c4ccno4)CC3)ccn2n1 257300225 RTOAUKFPPQELAY-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB O=C(N[C@@H]1CCC[C@@H](O)[C@@H]1O)c1cc2cc(Cl)ccc2o1 257290579 QDMOKBXTIHRDQU-JTNHKYCSSA-N 309.749 2.090 0 40 DEAB Cc1ocnc1C(=O)N1CC[C@@](C)(O)[C@H](Oc2ccccc2)C1 257227374 FOZIWYQSOKKNRR-RHSMWYFYSA-N 316.357 2.028 0 40 DEAB O=C(NCc1ccc(O)c(F)c1)C1CCN(CC(F)F)CC1 280849594 VXZISVZODRGZJV-UHFFFAOYSA-N 316.323 2.125 0 40 DEAB CN(C)c1ncc(NC(=O)Nc2ccccc2)c(N(C)C)n1 96098778 ARRFHCNTQFITJP-UHFFFAOYSA-N 300.366 2.253 0 40 DEAB c1cncc(OC[C@H]2CCOC23CN(Cc2ccco2)C3)c1 585102990 NUIZBMYFTBRHAM-CQSZACIVSA-N 300.358 2.345 0 40 DEAB Cc1noc(C)c1C(=O)N1CC[C@]2(CCC[C@H]2C(=O)N(C)C)C1 585103158 RXKSZONKCOAOFC-SUMWQHHRSA-N 319.405 2.012 0 40 DEAB O=C(N[C@@H]1CCc2cc(F)ccc21)c1ccnc(-n2cncn2)c1 55658501 IMSLRDGEQNMFCA-OAHLLOKOSA-N 323.331 2.219 0 40 DEAB C[C@H](CNC(=O)c1c(O)cc(Cl)cc1Cl)[S@](C)=O 95436819 YZHYPUJYUBJDRO-FWCARGHBSA-N 310.202 2.196 0 40 DEAB COCCOc1ccc(CNCc2c[nH]nc2C(C)(C)C)cn1 97159421 TYNTVVGIZDDTPN-UHFFFAOYSA-N 318.421 2.417 0 40 DEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(Cl)c1O 83799643 SAGKVOZKEUSCQY-UHFFFAOYSA-N 301.755 2.186 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C)CC(C)C)c1 12922207 NRXZESGNSFPQJO-LBPRGKRZSA-N 312.435 2.101 0 40 DEAB CC(C)c1ccc(S(=O)(=O)NCCCn2cccn2)cc1 14238051 SWDOSJVKPCYFKZ-UHFFFAOYSA-N 307.419 2.375 0 40 DEAB CC(C)OCCCn1c(S)nc2cc(C(=O)O)ccc2c1=O 15424396 OHPHMRVTGITNOW-UHFFFAOYSA-N 322.386 2.199 0 40 DEAB COc1ccc(/C=C/C(=O)Nc2ccc(-n3cnnn3)cc2)cc1 6468867 JJCORRKKUUIYAG-NYYWCZLTSA-N 321.340 2.323 0 40 DEAB biogenic CN1CCN(Cc2csc(-c3cccc(C(=O)O)c3)n2)CC1 578660870 ZAGDABOZALSDNK-UHFFFAOYSA-N 317.414 2.256 0 40 DEAB CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 4482400 MAUWJRAVERQLTR-CQSZACIVSA-N 304.346 2.276 0 40 DEAB COc1ccc(C(=O)Nc2c(C)nc3ccccn3c2=O)cc1 9616715 RRKLWICPYUKTJT-UHFFFAOYSA-N 309.325 2.264 0 40 DEAB Cc1cc(OCC(=O)N[C@H]2CCCCNC2=O)ccc1C(C)C 40092214 MTPILEQEOLZHHI-INIZCTEOSA-N 318.417 2.282 0 40 DEAB CC1CCN(S(=O)(=O)NCc2ccccc2Cl)CC1 40058219 GLMVZBPQZAICPO-UHFFFAOYSA-N 302.827 2.406 0 40 DEAB Cc1noc(C)c1CN1CCN(C(=O)NC2CCCCC2)CC1 30589255 UFYVHQRTHFQKKW-UHFFFAOYSA-N 320.437 2.451 0 40 DEAB COc1ncccc1C(=O)N(C)C[C@H]1COc2ccccc2O1 40494410 PYVBHEMWFBOQGR-LBPRGKRZSA-N 314.341 2.002 0 40 DEAB O=C1CC(=O)[C@H](n2cncn2)[C@H](c2c(F)cccc2Cl)C1 100927447 LWEPJVULZOFUOE-LKFCYVNXSA-N 307.712 2.328 0 40 DEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCSCC1 40542056 DMVRVIOQAXHADD-UHFFFAOYSA-N 303.387 2.070 0 40 DEAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)[C@H]1CCCO1)CC3 20762458 HCRWJTXKKZZSCA-MRXNPFEDSA-N 300.358 2.240 0 40 DEAB biogenic Cn1nnnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 31460 QSPYUFBAJKVMCT-UHFFFAOYSA-N 318.189 2.248 0 40 DEAB O=C(CSc1nc(-c2ccccn2)n[nH]1)Nc1nccs1 78700021 VXDLOLOBAJULOV-UHFFFAOYSA-N 318.387 2.054 0 40 DEAB CC(C)c1nc(CN(C)[C@@H]2CCN(CC(F)(F)F)C2)no1 78891686 QQKSPHDFNASGDO-SNVBAGLBSA-N 306.332 2.261 0 40 DEAB COc1cc(C(C)=O)ccc1OCC(=O)NCc1ccco1 3432584 FJQSSBDZLICMRA-UHFFFAOYSA-N 303.314 2.186 0 40 DEAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)N1CCc2sccc2C1 42139691 IBYPGBBYXPPZHG-LLVKDONJSA-N 320.439 2.447 0 40 DEAB CC(=O)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12 6342655 WLLHJTUXVXJNBK-UHFFFAOYSA-N 321.336 2.388 0 40 DEAB Cc1cc(N)nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1 6980314 FDIDXTCINFOJCY-CQSZACIVSA-N 314.414 2.479 0 40 DEAB CC(C)S(=O)(=O)c1ccccc1C(=O)/N=c1/sccn1C 104400684 OUBRGIOTDMWAIX-CCEZHUSRSA-N 324.427 2.010 0 40 DEAB Cc1csc(N2CCN(Cc3nnc(C4CC4)o3)CC2)n1 71824721 BGMUVGDMANTATL-UHFFFAOYSA-N 305.407 2.034 0 40 DEAB COC(=O)c1ccoc1COc1ccc(Cl)cc1C(N)=O 23465283 SJRMWQPUQCJXLY-UHFFFAOYSA-N 309.705 2.398 0 40 DEAB CCn1c(-c2ccccc2)nn(CN2CCOCC2)c1=S 19939363 GFFSGRSWAUOQCY-UHFFFAOYSA-N 304.419 2.391 0 40 DEAB CC(C)N1CCC[C@@H](CNC(=O)[C@H]2Cc3ccccc3O2)C1 106516569 IKWUGCLBQXSMFZ-WMLDXEAASA-N 302.418 2.227 0 40 DEAB CC(=O)N[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Br 25380490 LAGZQAWAKYKMAB-IUCAKERBSA-N 313.195 2.151 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)NCCC1=CCCCC1)CS2 25969486 MNIIXSDPKVFKMK-CJNGLKHVSA-N 308.447 2.447 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccco3)on2)c(=O)[nH]1 26310971 QLLAPOAOCWGRKW-UHFFFAOYSA-N 313.313 2.170 0 40 DEAB Cc1cc(C)n(C[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)n1 100950602 ZLTNUPFFNIRLJM-LBPRGKRZSA-N 301.321 2.219 0 40 DEAB Cn1ccnc1[C@@](O)(CCN[C@H]1C[C@H]2CC[C@H]1C2)C(F)(F)F 108371106 SNYKCPAXFSWEMW-MNXVOIDGSA-N 317.355 2.338 0 40 DEAB O[C@@H](COC[C@H]1CCCO1)CN1CC=C(c2ccccc2)CC1 12600583 ACSMDUIFFCDHPA-RTBURBONSA-N 317.429 2.332 0 40 DEAB CCC(=O)N1CCN(c2ccnc(Cc3ccccc3)n2)CC1 97379576 MVZMJEPFEJXLQZ-UHFFFAOYSA-N 310.401 2.126 0 40 DEAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCN(C2CC2)C1 58173878 ZAIWSMAXXPPCDX-RYUDHWBXSA-N 308.809 2.460 0 40 DEAB C[C@@H](NC(=O)c1ccc2c(c1)CCC2)C(=O)NCc1ccco1 58282833 BXJFUIRAULHXKZ-GFCCVEGCSA-N 312.369 2.203 0 40 DEAB CC(=O)N1CCO[C@H]2CCN(Cc3ccc(Cl)cc3)C[C@@H]21 108532075 JHYHQGFZJKQOQP-HOTGVXAUSA-N 308.809 2.162 0 40 DEAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)N1CCOCC1 57632477 OKQCOUUQYQOPRX-LBPRGKRZSA-N 304.173 2.321 0 40 DEAB 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COc1ccccc1[C@@H](O)CNCc1ccc(NC(C)=O)cc1 58264090 MMINQTKVAOPQHH-KRWDZBQOSA-N 314.385 2.477 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)/C=C/c2cnn(C)c2)C1 58379186 YTDLXCNHLWQMEE-JRIJJQDJSA-N 318.465 2.306 0 40 DEAB C[C@]12[C@H]3[C@@H]4[C@H]5[C@@H]6[C@@H]7[C@@H]4[C@H]1[C@]1(CCC[C@H]71)[C@]6(O)[C@@]2(O)[C@@]51CCC[C@H]31 104295015 YDNCVZPNUCHUSO-STANPRSGSA-N 310.437 2.437 0 40 DEAB Cc1ccc(CC(=O)NCCc2nnc3n2CCCCC3)cc1 48303632 IAFSSPYUNKKJOH-UHFFFAOYSA-N 312.417 2.214 0 40 DEAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1c(C)noc1C 5197175 KPYJSXSALIGVLM-NSHDSACASA-N 318.329 2.484 0 40 DEAB COc1cccc(CNS(=O)(=O)Cc2ccccc2F)c1 65590976 RHTRIXNLLTVCST-UHFFFAOYSA-N 309.362 2.454 0 40 DEAB COc1cccc(/C=C/C(=O)Nc2cccc(-n3cnnn3)c2)c1 6661443 JNYWEBUVAVGECD-CMDGGOBGSA-N 321.340 2.323 0 40 DEAB CCOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 4731857 ZIXOEMUGQDUONL-GFCCVEGCSA-N 324.808 2.236 0 40 DEAB COc1ccccc1CNC(=O)[C@H](C)N(C)Cc1ccco1 16381260 UEZSXDMBRIWICG-ZDUSSCGKSA-N 302.374 2.425 0 40 DEAB CCCn1c(SCc2nc(-c3cccs3)n[nH]2)n[nH]c1=O 93903493 HGZNIYGSCLCLPF-UHFFFAOYSA-N 322.419 2.120 0 40 DEAB CC1=C(C(=O)N[C@@H]2CCN(C(C)C)C2=O)Cc2ccccc2O1 96444728 PWNJPBSKGCBWIK-OAHLLOKOSA-N 314.385 2.021 0 40 DEAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)COc2ccccc2)C1 69533121 GKGBTFLFMWEUDH-HNNXBMFYSA-N 318.417 2.076 0 40 DEAB CCN1CCN(CC(=O)Nc2cc(C)on2)c2ccccc21 69697541 KFQJJAVDYPFSJJ-UHFFFAOYSA-N 300.362 2.268 0 40 DEAB Cc1nc2ncnn2c(O)c1Cc1ccc(Br)cc1 18077397 MWXXAVXFEILGQZ-UHFFFAOYSA-N 319.162 2.492 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1Cn1cccn1 69920286 ZPUAEPKNEUAEQU-ZDUSSCGKSA-N 310.357 2.258 0 40 DEAB COc1ccccc1NC(=O)[C@@H](C)[S@@](=O)Cc1cc(C)no1 71859057 IKMSPDVWTNHFPJ-RKFFSXRUSA-N 322.386 2.268 0 40 DEAB CC(=O)O[C@H](C)C(=O)N(C)Cc1ccc(Br)cc1 96997701 XRZRCGMSCFTPTP-SECBINFHSA-N 314.179 2.359 0 40 DEAB Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c(C)c1 97062107 OUWZGWNVPSSCLO-QWHCGFSZSA-N 311.403 2.143 0 40 DEAB CC(=O)N(C)C1CCN(C(=O)Nc2cc(C)cc(C)n2)CC1 97142898 PCWLGATWLZTYLD-UHFFFAOYSA-N 304.394 2.173 0 40 DEAB COc1ncc(Cl)c(N2CCC[C@H](Cc3noc(C)n3)C2)n1 95994742 RATTVTSOWKWWQT-SNVBAGLBSA-N 323.784 2.289 0 40 DEAB CS(=O)(=O)NCCCS[C@H]1CCc2ccc(F)cc21 95963571 QJYHSBGCOVMGAG-ZDUSSCGKSA-N 303.424 2.486 0 40 DEAB Cc1nc([C@H]2CN(CCc3ccc(F)c(F)c3)CCO2)no1 95970994 FEQCUELRNPEEGY-CQSZACIVSA-N 309.316 2.272 0 40 DEAB CCCC[S@](=O)Cc1ccc(OC)c(S(C)(=O)=O)c1 95964723 MBEQCBPSXWVLSR-GOSISDBHSA-N 304.433 2.148 0 40 DEAB Cc1ccc([C@H]2OCCC[C@@H]2Nc2ccc3nnnn3n2)cc1 74778211 WKOXKALHHNVVNU-XJKSGUPXSA-N 310.361 2.160 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)N2CCC(C)CC2)c1 75128235 ROHWFBPQNSVLJD-UHFFFAOYSA-N 319.405 2.465 0 40 DEAB CC(C)CNC(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 89840219 YNZHMJGAVYXDOS-AATRIKPKSA-N 302.378 2.091 0 40 DEAB C[C@@](NC(=O)Cc1n[nH]c2ccccc12)(C(=O)O)c1ccccc1 89905431 XOFJMVJRPBGUPT-SFHVURJKSA-N 323.352 2.222 0 40 DEAB C[C@H]1CCN(C(=O)c2nccnc2N)[C@H]1c1cccc(F)c1 76093662 GWAMZPFXWDJNNA-IINYFYTJSA-N 300.337 2.421 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)CCn2ccccc2=O)C12CCCC2 76068063 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303.362 2.066 0 40 DEAB COC1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(F)c(C)c1 585319481 AQPXACRGMRVUFE-FUNVUKJBSA-N 313.394 2.465 0 40 DEAB COCC(=O)n1nc(-c2ccco2)nc1NCc1cccs1 5002124 MDBKLZBETIVLIC-UHFFFAOYSA-N 318.358 2.498 0 40 DEAB CCn1ccc(NS(=O)(=O)c2cccc3cccnc23)n1 14248948 LYCKFJTZKUBFBW-UHFFFAOYSA-N 302.359 2.252 0 40 DEAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)CN1CCN(C)CC1 19363247 RWRZHMOUEJRKMT-BSDSXHPESA-N 312.498 2.072 0 40 DEAB Cn1ncnc1CN1CCC(COc2ccncc2Cl)CC1 1848727853 BPFXXHQWILEVAH-UHFFFAOYSA-N 321.812 2.155 0 40 DEAB Cc1nnc(N2CC(NC(=O)CCc3sccc3C)C2)s1 1888843798 USAKKWCMCKZXSZ-UHFFFAOYSA-N 322.459 2.154 0 40 DEAB CCOC(=O)c1ccc(N2CCN(c3nccs3)CC2)nc1 24055625 XPGKVEBNBYSZQM-UHFFFAOYSA-N 318.402 2.041 0 40 DEAB Cc1ccc(NC(=O)c2ccc(=O)n(C)n2)c(Br)c1 9313444 ZDZYUAIZCRGQDJ-UHFFFAOYSA-N 322.162 2.104 0 40 DEAB COC[C@@H]1CN(C(=O)/C=C/c2cccs2)Cc2cn(C)nc21 1614931167 CJIFVEKWACJMMC-GFUIURDCSA-N 317.414 2.267 0 40 DEAB COc1cccc(NC(=O)N2CCCN([C@@H]3CCOC3)CC2)c1 1565522831 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CC[C@@H](CNc1ncnc2c1cnn2CCO)c1ccccc1 97199664 WDUCPHSQDFCQQJ-ZDUSSCGKSA-N 311.389 2.424 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c(C)o1 95983498 GCNAUUUNNOWFGT-OAHLLOKOSA-N 317.389 2.460 0 40 DEAB NC(=O)[C@@H]1CCCC[C@H]1Nc1ncnc2cc(F)c(F)cc12 89764963 CUAYWECQWYSZKO-PRHODGIISA-N 306.316 2.364 0 40 DEAB C[C@H](CNC(=O)c1ccnn1C)c1nc(-c2ccccc2)no1 89955763 ATPPIWZWDGTVNJ-LLVKDONJSA-N 311.345 2.004 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1C 76378826 XZDVWFXOESVXLU-GJZGRUSLSA-N 309.431 2.389 0 40 DEAB CSc1ccc(C)c(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)c1 521395791 ADMGGOBXAOAUGE-LLVKDONJSA-N 302.403 2.465 0 40 DEAB CCN(CC(C)=O)C(=O)Cc1csc(-c2ccccn2)n1 521394427 AKFCVEGMLWKITQ-UHFFFAOYSA-N 303.387 2.185 0 40 DEAB Cc1c(C)[n+](C)c([C@H](CC(=O)O)c2ccc(Cl)cc2)n1O 524734138 AQRGQVUJBDKPCC-CYBMUJFWSA-O 309.773 2.427 0 40 DEAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(F)c(F)c1)CC(=O)O2 524733179 CHKWAKJMYVAWNW-JTQLQIEISA-N 305.280 2.413 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc(F)cc1F 39976096 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2.014 0 40 DEAB Cc1cc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)[nH]n1 47555458 FSRXAPBZYRPEPD-UHFFFAOYSA-N 318.402 2.271 0 40 DEAB O=C1NC2(CCCCC2)C(=O)N1CN1CCc2ccccc2C1 23381308 BFBNHAVFRFYIKR-UHFFFAOYSA-N 313.401 2.257 0 40 DEAB O=C(Nc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccccn2)C1 47667191 DEIIFOAYTWGGNZ-GFCCVEGCSA-N 313.332 2.208 0 40 DEAB CCOC(=O)N(C)c1ccc(NC(=O)[C@H](C)n2cncn2)cc1 54312455 SBQWIQBKKYVXNS-NSHDSACASA-N 317.349 2.071 0 40 DEAB NC(=O)c1sccc1NS(=O)(=O)c1ccc(Cl)cc1 79106506 FVHXISHRTOJIIJ-UHFFFAOYSA-N 316.791 2.301 0 40 DEAB Cc1ccc(CNC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 6789411 XEORZUUIIPPVEP-UHFFFAOYSA-N 317.410 2.470 0 40 DEAB Cc1nn(C)c(C)c1OCC(=O)Nc1ccc(Cl)cc1O 95974009 QZEDTLNAZSGBEU-UHFFFAOYSA-N 309.753 2.413 0 40 DEAB Cn1ncnc1NC(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984872 DLSUIBYLQYGCGY-VXGBXAGGSA-N 321.768 2.120 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(Cl)o1 95983508 SRPBTVPECGDLQO-NSHDSACASA-N 323.780 2.497 0 40 DEAB COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c1 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304.346 2.310 0 40 DEAB CCc1nnc2n1C[C@H](Nc1nccc(C(F)(F)F)n1)CC2 97199280 LPDSMFZGEZNUIZ-MRVPVSSYSA-N 312.299 2.076 0 40 DEAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)NC[C@H](O)c1ccccc1F 89522771 KDEVMYPQHXKHLW-QFYYESIMSA-N 319.380 2.194 0 40 DEAB O=C(Cn1ccnn1)Nc1nc(-c2c(F)cccc2F)cs1 75105038 CVFUUPBZIYPICD-UHFFFAOYSA-N 321.312 2.319 0 40 DEAB CC(=O)NC(C)(C)c1noc(C[C@H]2OCCc3ccccc32)n1 75139465 YMRMTVDIEGSRDF-CQSZACIVSA-N 315.373 2.297 0 40 DEAB O=C(O)C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 89774576 OHGOJAORVFKTQT-ZDUSSCGKSA-N 323.776 2.074 0 40 DEAB CO[C@H]1CCC[C@H](OC(=O)[C@H](C)NC(=O)OC(C)(C)C)C1 75582916 YTYKCJQPGQRNCN-SRVKXCTJSA-N 301.383 2.400 0 40 DEAB CN(C(=O)c1cccc(NC2=CC(=O)NC2)c1)c1ccc(O)cc1 524733067 QIQBVBQPZOCAFX-UHFFFAOYSA-N 323.352 2.094 0 40 DEAB O=C1C(Br)=C(Br)CN1c1cccnc1 217583495 CNFZODPTITYMTP-UHFFFAOYSA-N 317.968 2.430 0 40 DEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2C)C1 72398674 DCMBBEFOBUEBOA-DYWXZXKOSA-N 315.417 2.153 0 40 DEAB COc1ccc2c(ccn2CC(=O)NCCCCCC(=O)O)c1 31820848 LKHSIFMNPNCDOU-UHFFFAOYSA-N 318.373 2.411 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 76378700 JWTOYOMCSVRTIT-GJZGRUSLSA-N 321.442 2.190 0 40 DEAB COc1ccc(F)c(CN2CCC3(CCCNC3=O)CC2)c1 72393749 JROUBROBFMWWFB-UHFFFAOYSA-N 306.381 2.327 0 40 DEAB O=C(C1CCC1)N1[C@H]2CC[C@@H]1Cc1nc3ccccc3c(=O)n1C2 72327384 ALUXPPQYOQGOHT-KGLIPLIRSA-N 323.396 2.112 0 40 DEAB C[C@H](NC(=O)/C=C/c1cncc(F)c1)C(=O)N1CCCC[C@@H]1C 79050616 BEWSZUQIQWXTDD-XKZLPGLHSA-N 319.380 2.140 0 40 DEAB O=C(NCCn1cccc1)c1ccc(O[C@@H]2CCSC2)nc1 225716346 UNMLFBHTDVXREL-CQSZACIVSA-N 317.414 2.197 0 40 DEAB COC(=O)C(C)(C)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1 89367134 VACFKHNQLGPKCR-OAHLLOKOSA-N 318.417 2.452 0 40 DEAB Cc1ccccc1-c1noc(=O)n1CCO[C@@H]1CCCCO1 225638938 VNSKEQDPSXXFFA-CQSZACIVSA-N 304.346 2.355 0 40 DEAB O=S(=O)(C1CC1)N1CCC(O)(c2ccccc2Cl)CC1 193112891 PZVMXAXXCPVWRB-UHFFFAOYSA-N 315.822 2.116 0 40 DEAB Cc1cc(C)n(Cc2nnc(N3C[C@H]4CCC[C@@H]43)n2C2CC2)n1 573856076 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O=C(NCC1(N2CCSCC2)CCOCC1)[C@H]1CC=CCC1 1888834684 DYFKVTQBEQPXLJ-HNNXBMFYSA-N 324.490 2.057 0 40 DEAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)C1CCOCC1 252549992 RYTMNLZSKWFKEH-SHTZXODSSA-N 304.390 2.314 0 40 DEAB O=C(NCCCn1ccnc1)[C@@H](c1ccccc1)n1cccc1 70784525 ATQCNMWSERDEJZ-QGZVFWFLSA-N 308.385 2.481 0 40 DEAB CCC[C@H](C)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20028774 GHJVPZIDQKBNHD-AWEZNQCLSA-N 318.417 2.496 0 40 DEAB Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cn1 40512490 SUUHINOKWRYFFD-SNVBAGLBSA-N 318.764 2.065 0 40 DEAB CCCC(=O)NC1CCN([C@H](C)c2nc(CCC)no2)CC1 40540177 BDRHDLYRHFTIEI-GFCCVEGCSA-N 308.426 2.464 0 40 DEAB O=C(C[C@@H]1N=C(O)c2ccccc2N=C1O)N1CCCCC1 20719280 YZUFPWXQPDZDQH-ZDUSSCGKSA-N 301.346 2.364 0 40 DEAB O=C(COc1ccc(Br)cc1)Nc1ncccn1 532149 LADHYBVOFVUYCE-UHFFFAOYSA-N 308.135 2.257 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cnn(C)c1 53409941 NDSLQSZZSVVSJY-KRWDZBQOSA-N 324.384 2.001 0 40 DEAB O=C(NCc1cnn(-c2ccccc2)c1)[C@@H]1Cc2ccccc2O1 22993475 ZWOSUBDZHYJDCH-SFHVURJKSA-N 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319.449 2.159 0 40 DEAB O=C(NCCNc1cnccn1)N1CCC[C@@H]1c1ccsc1 48344080 ZARSHPXMZQQBEA-CYBMUJFWSA-N 317.418 2.497 0 40 DEAB CC(C)C(=O)N1CCC[C@H](C(=O)Nc2cccc3cn[nH]c23)C1 46195517 NJTRVZVRADJANC-ZDUSSCGKSA-N 314.389 2.396 0 40 DEAB CCCCn1c(=O)n(C)c(=O)c2c(C(F)(F)F)cc(C)nc21 2661512 PXUWNSOVAIQNLW-UHFFFAOYSA-N 315.295 2.223 0 40 DEAB CCC[C@@H](C)C(=O)Nc1cnn(CC(=O)Nc2cccnc2)c1 95396472 VPEGGKCRJDHFHU-GFCCVEGCSA-N 315.377 2.292 0 40 DEAB O=C(NCc1ncc[nH]1)Nc1ccc(-n2cccn2)c(F)c1 95439435 GRJCWJWTZODLOP-UHFFFAOYSA-N 300.297 2.056 0 40 DEAB CN(CCCn1ccnc1)C(=O)CCc1ccc(Cl)nc1 95452353 RYEYHIUVDCFVBK-UHFFFAOYSA-N 306.797 2.413 0 40 DEAB CCNC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 6187158 KEDMOQODWPRRDV-UHFFFAOYSA-N 323.443 2.092 0 40 DEAB C[C@@H](Nc1cccc(C(N)=O)c1)C(=O)N(C)Cc1ccccc1 9315051 MEQZJOBJQOTWPG-CYBMUJFWSA-N 311.385 2.245 0 40 DEAB CC1CCN(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 20105808 YJONUQXOPFCXKI-UHFFFAOYSA-N 315.461 2.306 0 40 DEAB NC(=O)c1c(NC(=O)NC[C@H]2CCCO2)sc2c1CCCC2 6661612 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Cc1n[nH]c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C 82311535 LICCMPKDQYJRPW-UHFFFAOYSA-N 302.353 2.128 0 40 DEAB CCN(CC)CCCNC(=O)[C@@H](c1ccccc1)n1cccn1 69848615 QNAZTECSDQBDEE-QGZVFWFLSA-N 314.433 2.321 0 40 DEAB COC(=O)[C@H](NC(=O)c1ccon1)c1ccc2ccccc2c1 97084809 VSRWGHASSFJWSG-OAHLLOKOSA-N 310.309 2.472 0 40 DEAB CC1CCN(C[C@H](O)COc2cccc(-n3ccnc3)c2)CC1 95974937 XEQDENHFZZQZAV-KRWDZBQOSA-N 315.417 2.344 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)Cc2c(F)cccc2F)c(=O)[nH]1 75120559 PKFIUCGRDOWDMB-JTQLQIEISA-N 306.312 2.323 0 40 DEAB O=C(c1cccc(Cl)c1)N1CCN([C@H]2CCC[C@H]2O)CC1 75572269 KUVKLABSQQERQX-LSDHHAIUSA-N 308.809 2.011 0 40 DEAB C[C@@H]1CCC[C@@H]1OC[C@H](O)CN1CCN(c2ccccc2)CC1 35092985 AUWAPBFAZFRFCV-QRQLOZEOSA-N 318.461 2.375 0 40 DEAB C[C@H](C(=O)Nc1cc(C2CC2)[nH]n1)n1ccc2ccccc2c1=O 554516077 MHXBMJKNQVKFIW-LLVKDONJSA-N 322.368 2.802 0 40 DEAB CC(=O)N1CCN(C(=O)[C@@H](C)SCCC(C)(C)C)CC1 187556933 XQFAXDFWYWWDDH-GFCCVEGCSA-N 300.468 2.235 0 40 DEAB O=C1c2ccc(F)cc2C(=O)N1CCOCC(F)(F)C(F)F 189057912 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FORIBAIIFMTLPR-IAGOWNOFSA-N 301.434 2.060 0 40 DEAB COc1ccc([C@@H](NC(=O)N2CC[C@H](O)C2)C(F)(F)F)cc1 97100268 XDCQTKGZVWRFCW-CMPLNLGQSA-N 318.295 2.075 0 40 DEAB CNC(=O)c1cccc(C(=O)N[C@@H](C)CNc2ccccc2)c1 96475430 WGLDEULAJFZJRU-ZDUSSCGKSA-N 311.385 2.277 0 40 DEAB CC(C)OCc1ncn2c1CN(C(=O)c1ccc[nH]1)CCC2 96094718 VDDVRIXIUOZPIN-UHFFFAOYSA-N 302.378 2.182 0 40 DEAB Cc1nn(C)cc1[C@H](C)NC(=O)c1cccnc1NC(C)C 96436330 UZYIDKVXCCTXOQ-NSHDSACASA-N 301.394 2.435 0 40 DEAB CC(=O)Nc1cccc(CN(C)[C@@H]2CCC[C@H]2S(C)(=O)=O)c1 245289950 GGXRKSRQIDNOQG-HZPDHXFCSA-N 324.446 2.043 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc3cccnc23)n1 257303597 SHWVRNQDIZFWBK-HNNXBMFYSA-N 322.368 2.480 0 40 DEAB CC(=O)N1CCN(C(=O)c2cscn2)[C@H](c2ccccc2)C1 257333547 YCAQHALOVMJMIU-HNNXBMFYSA-N 315.398 2.189 0 40 DEAB COc1cc(=O)n2c(c1C(=O)N1c3ccccc3C[C@@H]1C)CCC2 253405537 SOYFLXBXRUZFGE-LBPRGKRZSA-N 324.380 2.395 0 40 DEAB O=C(c1cc[nH]n1)N1CCC[C@H](O)[C@@H]1Cc1ccc(Cl)cc1 585273936 GUCYOPCUFSKFFD-GJZGRUSLSA-N 319.792 2.271 0 40 DEAB CNC(=O)C[C@H]1CN(Cc2cc(C)cc(C)c2)Cc2ccnn21 585112648 SPUWZLUXYQTDCI-KRWDZBQOSA-N 312.417 2.193 0 40 DEAB CCOC(=O)c1cccnc1NCc1ccc(-n2cncn2)cc1 48314316 HGVBFYAUUXGCJG-UHFFFAOYSA-N 323.356 2.451 0 40 DEAB Nc1nc(Cl)cc(N2CCO[C@@H](c3ccc(F)cc3)C2)n1 40497810 ARRMBKOZNMZLQM-LLVKDONJSA-N 308.744 2.429 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)NC1CCSCC1 58162551 RVJABDGKRRTPAH-UHFFFAOYSA-N 302.399 2.125 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c(C)s1 95976002 LODVPUVXDUOPSG-RYUDHWBXSA-N 303.449 2.194 0 40 DEAB O=C(CNC[C@@H]1CCCO1)Nc1cccc(C(F)(F)F)c1 5446130 DYXZVYXAGUALPC-LBPRGKRZSA-N 302.296 2.413 0 40 DEAB CC1CCN(C(=S)NC(=O)C(=O)c2ccc(F)cc2)CC1 5482694 DWTKWIDEJQGNLS-UHFFFAOYSA-N 308.378 2.141 0 40 DEAB CCCCNC(=O)CSc1nncn1-c1cccc(OC)c1 5895336 SQETWJIQSQGHCX-UHFFFAOYSA-N 320.418 2.284 0 40 DEAB O=C1CCc2cc(S(=O)(=O)NC3[C@H]4CCCC[C@@H]34)ccc2N1 12241776 ZJBXPZXNHGLWFY-OCZCAGDBSA-N 320.414 2.038 0 40 DEAB Cc1cnc(-c2nnc([C@@H]3CCN(Cc4ccncc4)C3)o2)cn1 19239197 XLBNGUHBYZDEDS-CQSZACIVSA-N 322.372 2.220 0 40 DEAB O=C(NCc1nnnn1-c1ccc(F)cc1)Nc1cccs1 9616545 GYDFBTNLECVXMO-UHFFFAOYSA-N 318.337 2.185 0 40 DEAB Cc1noc(C)c1C(=O)NCc1ccc(Cn2ccnc2)cc1 30218822 SDIKUODBRVRDFV-UHFFFAOYSA-N 310.357 2.466 0 40 DEAB COc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 100184331 ALIIIWWOFFCEST-GVAFMPQTSA-N 311.337 2.209 0 40 DEAB O=C1[C@H]2C(c3ccc(F)cc3)=NO[C@H]2C(=O)N1Cc1ccccc1 101361124 YESRZUNGJBNCHD-GOEBONIOSA-N 324.311 2.114 0 40 DEAB Cc1cccnc1NC(=O)C[C@@H]1NC(=O)c2ccccc2N=C1O 32124391 DTXHVCBMMZIAPV-ZDUSSCGKSA-N 324.340 2.119 0 40 DEAB biogenic CCN1CCN([C@@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20736632 RTROEOGCJDKZEN-MRXNPFEDSA-N 301.390 2.240 0 40 DEAB Cc1ccc(-c2ccc(=O)n(CC(=O)NC3CCCC3)n2)cc1 219996 FVYLCMVMVKAYDV-UHFFFAOYSA-N 311.385 2.278 0 40 DEAB O=C(c1cc(Cl)ccc1-n1cnnn1)N1CCCCCC1 32633208 CZEBQHGIENWIIX-UHFFFAOYSA-N 305.769 2.332 0 40 DEAB C[C@@H]1CCCN(C(=O)CCc2nc(-c3ccccn3)no2)C1 32644847 AEVVLJPZPMXGOU-GFCCVEGCSA-N 300.362 2.323 0 40 DEAB OCCN1CCN(Cc2coc(-c3ccc(Cl)cc3)n2)CC1 52796786 GIORHSWBAXNBJJ-UHFFFAOYSA-N 321.808 2.105 0 40 DEAB COc1ccccc1C1(CNC(=O)[C@H]2COCCO2)CCCC1 53271629 SVPZECRCMCUJOB-MRXNPFEDSA-N 319.401 2.039 0 40 DEAB Cc1c(C)n(C[C@@H](O)CN2CCN(C)CC2)c2ccc(F)cc12 22918353 MOBWUOZALFAGOH-INIZCTEOSA-N 319.424 2.006 0 40 DEAB O=C(NCC(F)(F)F)[C@@H]1CCCN1c1cnc2ccccc2n1 54058141 YZDXKBYORYAICH-LBPRGKRZSA-N 324.306 2.277 0 40 DEAB C[C@@H]1CN([C@H](C)CNC(=O)c2cc3c(s2)CCC3)C[C@@H](C)O1 106046452 GYQBWMVVZALSAB-JHJVBQTASA-N 322.474 2.464 0 40 DEAB CCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC 4969187 KAWIAZBYOLBAOF-UHFFFAOYSA-N 310.419 2.064 0 40 DEAB biogenic COCc1ccccc1NC(=O)CCNC(=O)c1ccoc1 44550242 BURCOPGBKBQUAJ-UHFFFAOYSA-N 302.330 2.185 0 40 DEAB Fc1cc2c(c(CSc3nc4ncccn4n3)c1)OCOC2 10078500 CRAABBRIAXTCOR-UHFFFAOYSA-N 318.333 2.422 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCCC[C@@H]1c1nc[nH]n1 95456588 MNCWRWTWLNJTJG-CYBMUJFWSA-N 311.345 2.242 0 40 DEAB CC(C)[C@H](C)N(C(=O)NCC(C)(C)S(C)(=O)=O)C1CC1 95409988 DWGSQZVXQRDWSH-NSHDSACASA-N 304.456 2.028 0 40 DEAB C[C@H]1CN(Cc2nc3cc(Cl)ccc3c(=O)[nH]2)[C@@H](C)CO1 27642442 BONFEPFAXDBOSF-UWVGGRQHSA-N 307.781 2.186 0 40 DEAB CC(C)(C)C(=O)NCc1cccc(OCCN2CCOCC2)c1 58209343 IIPPONCGPJJNJT-UHFFFAOYSA-N 320.433 2.060 0 40 DEAB COC(=O)c1c(C)cccc1S(=O)(=O)N1CCC(C)CC1 58282394 GVRABANXCWQKDO-UHFFFAOYSA-N 311.403 2.202 0 40 DEAB Cc1nc(C(=O)N[C@@H](C)[C@@H]2CCCO2)nn1-c1ccc(F)cc1 44912017 CYTKMEBDYGQYOE-HZMBPMFUSA-N 318.352 2.012 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)OCC(=O)NCC(F)(F)F 27812333 VQVZDGDKBXNYBJ-UHFFFAOYSA-N 314.263 2.312 0 40 DEAB COCCNC(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1 58317037 KGJZKKPMYFHUOM-UHFFFAOYSA-N 301.350 2.117 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNC[C@@H](c1ccsc1)N(C)C 58393357 HTBASPHJRXYBBV-HNNXBMFYSA-N 321.494 2.249 0 40 DEAB C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(OCC(F)(F)F)nc1 45449467 FTNMOQWBXVIGHU-VHSXEESVSA-N 318.295 2.272 0 40 DEAB NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 2446962 MIMHVPPURNCPRR-UHFFFAOYSA-N 314.370 2.164 0 40 DEAB Cc1cc(C)c(CNC(=O)c2c[nH]nc2-c2ccccc2)c(=O)[nH]1 29049877 SFOOEFFWCCBJNT-UHFFFAOYSA-N 322.368 2.312 0 40 DEAB CN(C(=O)COC(=O)c1cc[nH]n1)[C@H]1CCCc2ccccc21 46349819 JRVZOURICWYBFZ-HNNXBMFYSA-N 313.357 2.103 0 40 DEAB CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O 2642644 VIMWJORPBDVZLK-MRXNPFEDSA-N 321.352 2.121 0 40 DEAB Cc1ccc(C(=O)N2CCN(Cc3ccncc3)CC2)c(O)c1 60637599 BSKFOIXOXUZFCY-UHFFFAOYSA-N 311.385 2.054 0 40 DEAB NC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1 12050553 RGENVJKZYCCGCE-MRXNPFEDSA-N 305.337 2.191 0 40 DEAB C[C@@H](Sc1ccc(Br)cc1)C(=O)NC(N)=O 3548222 ARDRWMYFAAMUHX-ZCFIWIBFSA-N 303.181 2.125 0 40 DEAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)NC1CCCC1 12992659 IGDBKVPIQGZCGC-UHFFFAOYSA-N 323.824 2.269 0 40 DEAB O=c1[nH]c(=O)n(Cc2ccccc2)c2ncn(C3CCCC3)c12 3886320 XDLYPIVNQSVKQU-UHFFFAOYSA-N 310.357 2.050 0 40 DEAB C[C@H](NC(=O)CSc1nccn1C)c1ccc2c(c1)OCO2 6370354 FHPLATSJAMLZJO-JTQLQIEISA-N 319.386 2.118 0 40 DEAB O=C(NCc1ccccn1)NCc1nc(Cc2ccccc2)no1 65528642 LMDPUUQLJYHCHD-UHFFFAOYSA-N 323.356 2.055 0 40 DEAB O=C(CN1CCc2ccccc21)N1CCN(c2ccccc2)CC1 6586588 NFODEJFTCBXSPO-UHFFFAOYSA-N 321.424 2.398 0 40 DEAB Cc1noc(N)c1C(=O)OCc1cc(Cl)c2c(c1)OCO2 14702791 QPIYLINQOWIJLH-UHFFFAOYSA-N 310.693 2.304 0 40 DEAB C[C@@H](O)CNCCNCc1ccc(OCc2cccs2)cc1 22076415 VQFCINAXXGPBFN-CQSZACIVSA-N 320.458 2.387 0 40 DEAB CCN1CCCC[C@@H]1CNc1ccc2nnc(C3CC3)n2n1 95408836 QNQNLGYQHGUBIM-CYBMUJFWSA-N 300.410 2.288 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)C1 7444480 NHQXHBKADXBXEY-MJBXVCDLSA-N 315.417 2.338 0 40 DEAB CC1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 68717396 BJLYSDQQCWSYLM-LLVKDONJSA-N 322.327 2.408 0 40 DEAB Cc1ccc(NC(=O)CNC(=O)c2ccccc2F)c(O)c1 8378312 VEHMFOYVFINMKD-UHFFFAOYSA-N 302.305 2.208 0 40 DEAB Cc1ccc(N2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)nn1 69560202 HYMFLLMYHRGXNQ-OAHLLOKOSA-N 300.406 2.180 0 40 DEAB CCCOc1cc(C)ccc1NC(=O)NCCN1CCOCC1 71942314 FDDVLXDYXHKOIK-UHFFFAOYSA-N 321.421 2.238 0 40 DEAB Cc1noc2ncc(NC(=O)Cc3cn4ccsc4n3)cc12 71908121 PNLBPZXZIHNJOB-UHFFFAOYSA-N 313.342 2.422 0 40 DEAB FC(F)Oc1ccc(N2CCO[C@H]([C@@H]3CCCO3)C2)nc1 91738787 KXPRDRQENSXRQY-RYUDHWBXSA-N 300.305 2.067 0 40 DEAB CCCCOc1ccc(CN2CCN3C(=O)NC[C@H]3C2)cc1 91864979 GCJOFIVITKUTIF-HNNXBMFYSA-N 303.406 2.075 0 40 DEAB O=C(NCCSCCCO)Nc1cccc2cnccc12 69808482 DADAJGRPWZUIHC-UHFFFAOYSA-N 305.403 2.472 0 40 DEAB Cc1ccc(C)c(CSCC(=O)NCC(=O)N2CCCC2)c1 69813198 NUDYDNKZGBZUQF-UHFFFAOYSA-N 320.458 2.275 0 40 DEAB COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCN(C3CC3)CC2)c1 83973255 LESZWOVBSINWMF-IRXDYDNUSA-N 300.402 2.105 0 40 DEAB Cc1nc(C)n(C[C@H](O)CO[C@H]2CCCc3ccccc32)n1 92197524 JCFDQZMLSIYLTH-RDJZCZTQSA-N 301.390 2.350 0 40 DEAB CC(C)c1noc([C@H](C)NC[C@@H]2CCO[C@@H]2c2cnn(C)c2)n1 84631090 BGJJKHUNBJXYKA-OBJOEFQTSA-N 319.409 2.355 0 40 DEAB CC(C)n1c(SCCNS(C)(=O)=O)nc2ccccc21 84633116 SHIVKOJVIQACSY-UHFFFAOYSA-N 313.448 2.259 0 40 DEAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CC[C@@H](O)C2)c1 97085218 ZZHICNSPTVMSFJ-PEBXRYMYSA-N 324.446 2.332 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cccc3[nH]ncc23)c1 72233953 YKCOIPDLEDDTOL-ZDUSSCGKSA-N 309.373 2.373 0 40 DEAB Cc1csc([C@H]2CCCCN2C(=O)Cc2cnn(C)c2)n1 72273918 CBJVVNAAYBGNHD-CYBMUJFWSA-N 304.419 2.481 0 40 DEAB CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)no1 72232118 ACYMKQYLOIQMDF-CHWSQXEVSA-N 307.394 2.468 0 40 DEAB Cc1cc([C@@H](C)NC(=O)NCCC(=O)N(C)C)cc(C)c1F 73743030 XGFDBOMTHRJWRQ-GFCCVEGCSA-N 309.385 2.281 0 40 DEAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC(=O)NC1CC1 75146570 ZVEYMPZAYCAENQ-ZDUSSCGKSA-N 317.433 2.460 0 40 DEAB Cc1cccc2[nH]c(CCC(=O)N3CCOC[C@@H]3C3CC3)nc12 89976051 GYWKTKJWHFFXGL-OAHLLOKOSA-N 313.401 2.441 0 40 DEAB O=C(CCN1CCSC[C@@H]1c1ccccc1)N1CCOCC1 75613214 DSWFATHUODZGNH-MRXNPFEDSA-N 320.458 2.025 0 40 DEAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2C2CCCCC2)C[C@@H]1N1CCOCC1 76052771 RFEJUFFIFQYACU-DDBAPUKQSA-N 320.477 2.382 0 40 DEAB CON(C)C(=O)c1nn(C(=O)OC(C)(C)C)c2ccccc12 21983643 QZAKIVCWZRXKBM-UHFFFAOYSA-N 305.334 2.453 0 40 DEAB Cc1cccc(CS(=O)(=O)NC[C@@](C)(O)c2ccccc2)c1 70639677 VIFOOSCXTJWYFE-QGZVFWFLSA-N 319.426 2.322 0 40 DEAB Cc1cc(C)n(CCC(=O)NC[C@H]2CCCN3CCCC[C@@H]23)n1 504269212 HSTGXFJSNGQSBN-SJORKVTESA-N 318.465 2.271 0 40 DEAB biogenic CC(C)OCCCOc1cc(Cl)ccc1S(N)(=O)=O 521394103 MUTPEUXWVRSWOK-UHFFFAOYSA-N 307.799 2.181 0 40 DEAB COC[C@@H](C)NC(=O)c1c(C)nn(Cc2ccccc2)c1C 32963953 IMXAFEZNZCEWFK-GFCCVEGCSA-N 301.390 2.313 0 40 DEAB Cc1ccc([C@H]2CN(S(=O)(=O)c3ccccc3)CCO2)nc1 72385173 MAXQAWIACWDHPN-MRXNPFEDSA-N 318.398 2.152 0 40 DEAB C[C@]1(c2nc(-c3cccnc3)no2)Oc2ccccc2NC1=O 72241214 YGCRIAUKQKGRHZ-INIZCTEOSA-N 308.297 2.378 0 40 DEAB Nc1nccn2c(C3CCC3)nc(I)c12 33359143 ZEXCXPJVVLIIQN-UHFFFAOYSA-N 314.130 2.184 0 40 DEAB Cc1ccc(C(C)(C)CN(C)CC(=O)NC2CCOCC2)cc1 75861734 YFZLLURWTLIBFI-UHFFFAOYSA-N 318.461 2.500 0 40 DEAB C[C@@]12CNC[C@@](c3ccccc3)(CN(Cc3ccccc3)C1)[C@H]2O 70666223 JWSPFVDKCPXUQZ-HBMCJLEFSA-N 322.452 2.411 0 40 DEAB COc1ccc(C2(NC(=O)[C@@H]3CCNC(=O)C3)CCCC2)cc1 152367688 YRHDECJMSWWYPE-CYBMUJFWSA-N 316.401 2.107 0 40 DEAB c1cncc(CN2CCN(Cc3cccc4c3OCO4)CC2)c1 182053269 ACIOKXPHMCNIMI-UHFFFAOYSA-N 311.385 2.128 0 40 DEAB C[C@@H]1C=CC[C@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@H]12 136512467 LUMNDUXOBQBCGH-IRUJWGPZSA-N 318.760 2.182 0 40 DEAB COc1ccc(NC(=O)C2(C3(C(=O)N(C)C)CC3)CC2)cc1 225925346 NMOLLHNFLICBQA-UHFFFAOYSA-N 302.374 2.282 0 40 DEAB CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccco2)cc1 42646744 FIJJHOPFZMIOBZ-UHFFFAOYSA-N 302.330 2.322 0 40 DEAB CCO[C@H](C)c1nc(CN(C)C(=O)c2cnccn2)cs1 80819428 CPORFXHTVFEAJY-SNVBAGLBSA-N 306.391 2.303 0 40 DEAB CN(Cc1cccs1)C(=O)CN1CCC(n2ccnc2)CC1 96445720 SLVJCJVBEDGTJL-UHFFFAOYSA-N 318.446 2.240 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(C(N)=O)cc2)[C@H](c2ccccc2)CO1 96433390 ASQIZKXYMCLMNW-GUYCJALGSA-N 324.380 2.388 0 40 DEAB COC[C@@H]1CN(Cc2nccs2)Cc2ncn(CC3CC3)c21 96060270 MFGLETYWPJDFAE-ZDUSSCGKSA-N 318.446 2.495 0 40 DEAB CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3cccs3)C2)O1 96052275 YUIPJUFKZGTYBD-HOCLYGCPSA-N 310.463 2.060 0 40 DEAB CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)Nc2cccc(F)c2)C1 96419833 PAVBOKMMICUJHT-OLZOCXBDSA-N 314.382 2.303 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1cc(Cl)c(Cl)cn1)C(C)C 96443199 GCBQWGUSEHBCQH-NSHDSACASA-N 304.177 2.488 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(C(C)C)nn1C 96461690 JEKWGMGDZKJKEA-OLZOCXBDSA-N 321.421 2.395 0 40 DEAB CC(=O)NCCNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 96491714 SFDMWWFBUOMSHW-WMZOPIPTSA-N 315.417 2.233 0 40 DEAB O=C(N[C@H]1c2ccccc2C[C@H]1O)c1ccc(N2CCCC2)nc1 96449512 ASVRQSXTBUQZEJ-AEFFLSMTSA-N 323.396 2.070 0 40 DEAB Cc1nc(NC2CCCCC2)cc(C(=O)N2CCOCC2)n1 96182684 QGWRUSUJKFGSOW-UHFFFAOYSA-N 304.394 2.002 0 40 DEAB COc1c2c(c([C@@](C)(N)C(C)C)c3c1OCO3)CCN(C)C2 242648386 QVZVSMNKZXNHGC-KRWDZBQOSA-N 306.406 2.242 0 40 DEAB Cn1cnc2c1[C@H](C(=O)NC1CCC1)CN(CC1CCCC1)C2 248028104 KLDSJHLJARWSQO-OAHLLOKOSA-N 316.449 2.178 0 40 DEAB Cc1ccnc(O[C@@H]2CCOC3(C2)CN(Cc2ccoc2)C3)n1 253479074 ONLBBCNPHRUVEB-OAHLLOKOSA-N 315.373 2.190 0 40 DEAB Cc1ccc([C@@H](O)CN2CCN(C(=O)C(C)C)CC2)cc1C 65473184 UANMJBBEDQCUPG-KRWDZBQOSA-N 304.434 2.137 0 40 DEAB O=C(c1ccccc1Cl)N1CCC2(CC1)OCCC[C@@H]2O 257238237 HKCBAXADKZLXOC-AWEZNQCLSA-N 309.793 2.486 0 40 DEAB O[C@@H](COc1ccccc1)CN1CCC(c2ccn[nH]2)CC1 65541125 SBLJHXCEDOPBCC-OAHLLOKOSA-N 301.390 2.029 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc(O)cc2)no1 65512841 QWHUESJIYJZDPS-AWEZNQCLSA-N 301.346 2.464 0 40 DEAB COC[C@H](C)N(C)C(=O)c1[nH]nc(C2CC2)c1Br 65512623 YIIAWRJCZZMOLL-ZETCQYMHSA-N 316.199 2.157 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 257243216 IFXPPEZWZSPIMU-OAHLLOKOSA-N 311.385 2.434 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)COc3cccc(F)c3)C2)n1 257342722 ZPWMXMUNCVGCOC-LBPRGKRZSA-N 303.337 2.252 0 40 DEAB Cc1cc(Oc2ncccn2)ccc1NC(=O)C1(C(=O)O)CC1 262293553 IAYCHFQHMLQQBT-UHFFFAOYSA-N 313.313 2.381 0 40 DEAB COCCNC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1 260716860 GRYVIEUOMJXUBM-GFCCVEGCSA-N 308.451 2.393 0 40 DEAB CSc1nnc(Cn2cc(Br)ccc2=O)s1 65692120 RKMWMVRVEUVMPD-UHFFFAOYSA-N 318.221 2.233 0 40 DEAB Cc1noc(C)c1CC(=O)NCc1nccnc1-c1ccoc1 575619225 BCFDVVUXCGUYTJ-UHFFFAOYSA-N 312.329 2.200 0 40 DEAB CCOc1ccc(CCC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)cc1 71829469 ISAMURLNPHLTLG-DZGCQCFKSA-N 318.417 2.130 0 40 DEAB Cc1cccc(NC(=O)Cn2cnc3c(c2=O)CCCC3)c1C 49404509 FLLVXAOFIFWNQV-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB CN(CCOCC1CC1)C(=O)Nc1ccc(-n2ccnn2)cc1 88378763 BIIWTWBCBYSDIR-UHFFFAOYSA-N 315.377 2.158 0 40 DEAB CC(=O)Nc1ccc(OC[C@H](O)CN2CCCC[C@H]2C)cc1 12378078 CDVQOWBNNPSLBF-CZUORRHYSA-N 306.406 2.259 0 40 DEAB COc1ccccc1NC(=O)NCc1nc(-c2cccnc2)n[nH]1 13565299 DOVWCDANQIOQCB-UHFFFAOYSA-N 324.344 2.197 0 40 DEAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(F)cc(OC)c1 209776227 JSWUXYSZZXSQNC-ZDUSSCGKSA-N 308.309 2.025 0 40 DEAB C[C@H](Sc1nc2ncccn2n1)C(=O)NCC1CCCCC1 10073959 MZXPPIGDEYBOPD-NSHDSACASA-N 319.434 2.301 0 40 DEAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(C)on2)c1 1889122751 ADOIAXPZBROTFJ-PBWFPOADSA-N 300.362 2.496 0 40 DEAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@H](c2ncon2)C1 238832438 GFTQEEZJDYPSJU-LBPRGKRZSA-N 309.329 2.089 0 40 DEAB CCn1cc2c(n1)[C@H](COC)CN(C(=O)C1CC(F)(F)C1)C2 1614939486 SUYBHRDLSLAHAT-LBPRGKRZSA-N 313.348 2.021 0 40 DEAB CC(C)CCN1C(=O)CCc2cc(NS(C)(=O)=O)ccc21 8840910 VGJIHSPIIYVYLH-UHFFFAOYSA-N 310.419 2.383 0 40 DEAB O=C(c1ccc2cc[nH]c2c1)N1CC[C@H](Oc2cnccn2)C1 225794590 SIOFJUNOFCEOSV-AWEZNQCLSA-N 308.341 2.251 0 40 DEAB CCc1nsc(N2CCN(Cc3csc(C)n3)CC2)n1 76063440 GXOOBPULSMRCFZ-UHFFFAOYSA-N 309.464 2.188 0 40 DEAB Cn1cc(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)cn1 30118633 NHYPVFKOSLKYJN-UHFFFAOYSA-N 312.373 2.089 0 40 DEAB CN(C)c1ccc(N2C(=O)C[C@H](NNc3ccccc3)C2=O)cc1 100903008 VMSLYFMZOXVVRN-INIZCTEOSA-N 324.384 2.001 0 40 DEAB O=C(NCc1cccs1)c1cccc(N2CCNC2=O)c1 40553316 BWPMOWCDFSGFSN-UHFFFAOYSA-N 301.371 2.208 0 40 DEAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 101136509 INNBGZYVIPYMGZ-ZXFNITATSA-N 313.353 2.308 0 40 DEAB Cn1nc(C(=O)NC2CCCC2)cc1NC(=O)c1ccccc1 40761683 HVPCPBZIAMHOKB-UHFFFAOYSA-N 312.373 2.345 0 40 DEAB Cc1ccc(C(=O)Nn2c(S)nc3ccccc3c2=O)cc1 102047440 VXYHTISXDSIYLA-UHFFFAOYSA-N 311.366 2.378 0 40 DEAB O=C(NCCNc1ncccn1)c1cccc(Br)c1 32913535 DKURWSBTYWUXJT-UHFFFAOYSA-N 321.178 2.081 0 40 DEAB O=C(O)c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 21802067 GHDXXAICFBFECN-UHFFFAOYSA-N 305.355 2.004 0 40 DEAB CC[C@@H](C(=O)OCn1nnc2ccccc2c1=O)c1ccccc1 428860 CRBOGZGTLAMYEL-CQSZACIVSA-N 323.352 2.486 0 40 DEAB C[C@@]1(NC(=O)Cc2ccc3ccccc3c2)CCS(=O)(=O)C1 22548031 ASLIFMHSYLCRGK-QGZVFWFLSA-N 317.410 2.076 0 40 DEAB COC(=O)c1ccc(C)c(NC(=O)CN2CCCCCC2=O)c1 23711526 ABSHBRSQNNSNSH-UHFFFAOYSA-N 318.373 2.123 0 40 DEAB O=C(Nc1cc(F)c(N2CCCC2)c(F)c1)N1CCOCC1 47860669 FKVBGEYCHRKTDK-UHFFFAOYSA-N 311.332 2.429 0 40 DEAB C[C@@H]1CN(C(=O)Nc2cnn(CC(F)(F)F)c2)CC(C)(C)O1 77716698 DLOLHJHMFRDTSP-SECBINFHSA-N 320.315 2.477 0 40 DEAB CN(CCNC(=O)N1CCSCC1)Cc1ccc(F)cc1 79014610 RPWNIRIVCLZREV-UHFFFAOYSA-N 311.426 2.016 0 40 DEAB COc1ccc([C@H](C)C(=O)N2CCc3[nH]ncc3C2)cc1OC 79018099 ZDKIVIUFRHQJSH-NSHDSACASA-N 315.373 2.115 0 40 DEAB CS(=O)(=O)Cc1ccc(NC(=O)c2cccnc2)cc1F 79104901 JOBXGBBSNKBHTO-UHFFFAOYSA-N 308.334 2.018 0 40 DEAB O=S(=O)(NCc1cn2ccccc2n1)c1ccc(Cl)cc1 2961007 SHASBHAPUDSGKM-UHFFFAOYSA-N 321.789 2.466 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)[C@H]1C[C@H]2CC[C@H]1C2 105754220 CNQDPAXAZLCNGI-UKTARXLSSA-N 316.401 2.105 0 40 DEAB Cc1cnc(C(=O)NCc2cccc(Cn3ccnc3C)c2)cn1 24763819 CZQQDGHYNUZXNP-UHFFFAOYSA-N 321.384 2.268 0 40 DEAB Cc1c(Cl)cccc1-c1ccc(CNn2nnnc2N)o1 7602278 CWTCPHOBGSKFRH-UHFFFAOYSA-N 304.741 2.221 0 40 DEAB O=C(NC1CCCC1)C12C[C@H]3C[C@H](C1)CC(n1ncnn1)(C3)C2 102441713 DUCBMBFDCPZSMX-QJRTVWDNSA-N 315.421 2.027 0 40 DEAB COCCNC(=O)c1ccccc1NC(=O)C[C@@H]1C=CCC1 25166523 DIYGXMMUNLZVAC-CYBMUJFWSA-N 302.374 2.358 0 40 DEAB Cc1oc(-c2cccs2)nc1Cn1cnnc1[S@@](C)=O 71899921 ZUNSZNKDQGPLFA-FQEVSTJZSA-N 308.388 2.089 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)C1 102760582 MUNFJFIGMLKRLX-XUXIUFHCSA-N 306.406 2.324 0 40 DEAB CCCCCN1CC2=C(C1=O)[C@@H](c1ccc(O)cc1)NC(=O)N2 9317378 NIIQHPAIOYEDKQ-OAHLLOKOSA-N 315.373 2.033 0 40 DEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccnc2)C[C@@H](C)O1 58018415 UQYUOGNUHFSEGE-LZWOXQAQSA-N 318.421 2.187 0 40 DEAB 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2.134 0 40 DEAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)c1ccccc1F)C2=O 28912362 RZHHGWLKBRMOOJ-WKXXDYOBSA-N 320.364 2.360 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)Nc2cccc(OC)c2)c1 24256315 AYLOWXSTYVWKID-UHFFFAOYSA-N 321.354 2.283 0 40 DEAB O=S(=O)(CCc1ccccc1)NCc1cccc2c1OCO2 60508835 REFOOURHHABMQS-UHFFFAOYSA-N 319.382 2.077 0 40 DEAB C[C@@H](NC(=O)NC[C@@H]1CCCc2ccccc21)c1nncn1C 46938028 XRRSVUUWCXMPPZ-OCCSQVGLSA-N 313.405 2.295 0 40 DEAB CC1(C)CN=C(SCCN2C(=O)c3ccccc3C2=O)NC1 8767822 APZBGHUQNQVTLD-UHFFFAOYSA-N 317.414 2.001 0 40 DEAB CCC(CC)NC(=O)CSc1nncn1Cc1ccco1 9054522 JCYPYWKTNCBXEC-UHFFFAOYSA-N 308.407 2.316 0 40 DEAB O=Cc1c(Cl)ncnc1N1CCN(c2ccccc2)CC1 19945819 VPCXPNBZKAVYRP-UHFFFAOYSA-N 302.765 2.269 0 40 DEAB CCNC(=O)c1cccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c1 65609002 WENPKWHGNFIMIN-TXEJJXNPSA-N 305.378 2.077 0 40 DEAB Ic1cccc(O[C@H]2CCCNC2)c1 14631690 HAZKFDIMIVGGDA-NSHDSACASA-N 303.143 2.422 0 40 DEAB O=C(c1cccc2c1OCCO2)N1CCN(C2CCCC2)CC1 67160272 AKKOTYHUMWSQCV-UHFFFAOYSA-N 316.401 2.158 0 40 DEAB NC(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1 7056138 PLYDEFCEXNMERT-ZHACJKMWSA-N 302.355 2.198 0 40 DEAB CC[C@H]1CN(C(=O)NCc2ccnc(OCC3CC3)c2)CCO1 67481291 PHQXXDIVIGBIDV-HNNXBMFYSA-N 319.405 2.191 0 40 DEAB COCc1nc2n(n1)C[C@@H](N[C@@H]1CCCc3sccc31)CC2 90394190 OOARXHPVXQGOAA-WCQYABFASA-N 318.446 2.468 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2cnn(C)c2)n1 71796770 VHISRTWXLHHWNU-ZDUSSCGKSA-N 317.393 2.223 0 40 DEAB COC(=O)[C@H](NC(=O)CCOC(C)C)c1cc(F)ccc1F 69382605 OSZKMZRJNWDJOF-CQSZACIVSA-N 315.316 2.110 0 40 DEAB Cc1ccc(S(=O)(=O)Cc2nc3ccccc3[nH]c2=O)cc1 19854878 LUXJREBPRDCWNN-UHFFFAOYSA-N 314.366 2.205 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(CCO)Cc1ccsc1 69592096 HGOXSPZGZFBXHS-HIFRSBDPSA-N 310.463 2.237 0 40 DEAB O=C(c1cccn2ccnc12)N1CCCC[C@@H]1Cn1cccn1 69777229 YCKXTSOMVAOTDV-CQSZACIVSA-N 309.373 2.226 0 40 DEAB O=C(CCN1C(=O)Cc2ccccc2C1=O)Nc1ccccc1 9596192 YBMQPJRYSFYBJO-UHFFFAOYSA-N 308.337 2.240 0 40 DEAB CC(=O)NCCNC(=O)CS[C@H]1CCCc2ccccc21 69918737 KLCDDZBJKHRDHA-HNNXBMFYSA-N 306.431 2.050 0 40 DEAB C[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)Cc1cccc(F)c1 69952164 SLEVCEFHLYCABM-ZIAGYGMSSA-N 318.396 2.047 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2ccco2)n1 71829648 XRYDBTPIHNFJFQ-VHSXEESVSA-N 319.386 2.129 0 40 DEAB C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)NC(C)(C)C 71872183 DENSBQCVBHGIMA-ZETCQYMHSA-N 317.183 2.237 0 40 DEAB CN1N=C(C(=O)Nc2ccc(F)cc2-n2cccc2)CCC1=O 97050177 GPTZURNLMNIEBA-UHFFFAOYSA-N 314.320 2.163 0 40 DEAB C[C@@H](N)[C@@H]1CN(Cc2cc(F)cc(C(F)(F)F)c2)CCO1 97020528 MOQSMSPTBHPHDB-RNCFNFMXSA-N 306.303 2.393 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 72235301 BUOHPJLDZSFQRW-LBPRGKRZSA-N 307.785 2.354 0 40 DEAB Cc1cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)no1 97111819 XJWYQIZECPSQGF-HNNXBMFYSA-N 300.358 2.457 0 40 DEAB C[C@H](NS(=O)(=O)c1c(F)cccc1Cl)[C@H]1CCOC1 97147072 MYIILYYLMICRGD-IUCAKERBSA-N 307.774 2.182 0 40 DEAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nncn1C 97379037 WZOBNQPHDSSMMA-UHFFFAOYSA-N 303.347 2.021 0 40 DEAB CC(=O)N1CCOC[C@@H]1c1c(C)nn(Cc2ccccc2)c1C 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COCc1nc2n(n1)C[C@H](NC[C@H]1C(C)=CCC[C@H]1C)CC2 97098915 HOSAAMJLDIMNTJ-KFWWJZLASA-N 304.438 2.321 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)N(C)[C@@H](CC)c1ccncc1 96415388 MZTYFTSLJRFDLT-GUTXKFCHSA-N 320.437 2.477 0 40 DEAB C[C@](O)(CNC(=O)[C@@H]1COc2ccccc21)c1ccsc1 96437391 DDDMHCZLOKQTFJ-CJNGLKHVSA-N 303.383 2.248 0 40 DEAB Cc1cccc(COC[C@]23COC[C@H]2CN(C2CCC2)C3)n1 96108941 QQGDOSYKWGONFN-QAPCUYQASA-N 302.418 2.408 0 40 DEAB COC(=O)c1[nH]c(C)cc1NC(=O)c1cnn(C)c1C(F)F 96408078 LTWPXANUHMVGHV-UHFFFAOYSA-N 312.276 2.033 0 40 DEAB CCCCc1nc(CN2CCOC[C@@H]2c2nc(C)c[nH]2)c[nH]1 257320399 VWQBLDGKIIMREI-CQSZACIVSA-N 303.410 2.357 0 40 DEAB Cn1cc([C@@H]2C[C@H]2C(=O)OCc2ccc(-n3cccn3)cc2)cn1 63912741 MYHNALOSEKXVLH-DLBZAZTESA-N 322.368 2.453 0 40 DEAB CN(C)CC(=O)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 257334482 YGCIUWIAVZTBID-FVQHAEBGSA-N 302.418 2.002 0 40 DEAB c1cc([C@@H]2CCCN2Cc2ccnc(N3CCCC3)n2)ncn1 257300877 RWAIXONBCIBMTO-INIZCTEOSA-N 310.405 2.204 0 40 DEAB CCC(=O)N1CCC[C@@H](Cc2cncc(-c3nc(C)c[nH]3)n2)C1 257222583 DTWPGUMXHIJQJB-ZDUSSCGKSA-N 313.405 2.366 0 40 DEAB CNc1nccnc1[C@H]1CN(CCc2ccc(F)cc2)CCO1 257276459 NTVCGRLNRDMYOC-OAHLLOKOSA-N 316.380 2.273 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)COc3ccccc3F)C2)n1 257273573 NHFYBSHCIWHIPF-CYBMUJFWSA-N 317.364 2.263 0 40 DEAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCOCC1 253408936 ZBDPWZWMSDTVQG-JTQLQIEISA-N 320.320 2.006 0 40 DEAB biogenic,in-vitro Cc1c[nH]c([C@@H]2CCCN2Cc2ccc(S(C)(=O)=O)cc2)n1 257300778 RVQMQTCEZDYMBW-HNNXBMFYSA-N 319.430 2.459 0 40 DEAB Cc1noc([C@H]2CCC3(CCN(C(=O)C4CC(F)C4)CC3)O2)n1 585113467 NDADYYWRTNFNAK-WXRRBKDZSA-N 323.368 2.339 0 40 DEAB COc1cccc([C@H](C)C(=O)Nc2nnc(C3CC3)n2C)c1 585113338 QRUFDWSBCZOZGQ-JTQLQIEISA-N 300.362 2.443 0 40 DEAB CN1CCC[C@@H]1c1cccc(N2CC3(CCOCC3)OC2=O)n1 585178809 RJJSOQHNIVTABC-CQSZACIVSA-N 317.389 2.354 0 40 DEAB CCN1CCN([C@H]2CCC[C@@H](Oc3ccc(F)cc3)[C@@H]2O)CC1 585288830 ATTGZTSGRUOPHG-RCCFBDPRSA-N 322.424 2.124 0 40 DEAB 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O=C(Nc1ccc(N2CCOCC2)c2nonc12)C1CCCC1 204356 NVXQCCGQEMCEFB-UHFFFAOYSA-N 316.361 2.188 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1CCCOc1ccccc1 32739770 HSFRMIAQIHIIIK-GOSISDBHSA-N 310.397 2.368 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)c2sccc2-c2ccccc2)C1 41126463 YRTCNCNIGQULJQ-GFCCVEGCSA-N 300.383 2.363 0 40 DEAB CCCCSCC(=O)NCc1ccnc(-n2cccn2)c1 32818509 ZRZQKRLWSIPRSI-UHFFFAOYSA-N 304.419 2.417 0 40 DEAB C[C@H]1CN(Cc2csc(NC(=O)C3CCC3)n2)C[C@@H](C)O1 22325500 QQMNZXPHROMHOV-PHIMTYICSA-N 309.435 2.491 0 40 DEAB COC(=O)C1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 42236639 XJXUJWNNGCEMRY-UHFFFAOYSA-N 313.300 2.313 0 40 DEAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnnn2C)cc1 31493 CMZXMQHHYRVPQU-SNVBAGLBSA-N 305.407 2.454 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2c[nH]ccc2=O)c1 47672425 IBSXNWKUDLJBFL-ZWNOBZJWSA-N 311.341 2.222 0 40 DEAB CNC(=O)CCN(C)C(=O)Nc1cc(Cl)ccc1N(C)C 95399147 NVJDOXKGMTZOEG-UHFFFAOYSA-N 312.801 2.006 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)C)no1 95396928 VDMZXXVSLUHITI-AWEZNQCLSA-N 316.357 2.312 0 40 DEAB Cc1ccc([C@H]2OCCC[C@H]2CNc2ccc3nnnn3n2)cc1 78678125 DIUHZDJFYFCSHI-WMLDXEAASA-N 324.388 2.408 0 40 DEAB C[C@@H](SC(=O)c1cccs1)C(=O)N[C@H]1CCSC1=O 2016053 MKTVMEMIKNBVHI-SFYZADRCSA-N 315.441 2.158 0 40 DEAB in-man Cc1nc(C)c(CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)c(=O)[nH]1 54573554 FBDMIXIYRYWEMD-ZFWWWQNUSA-N 303.406 2.110 0 40 DEAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1C(=O)CCC1=O 3346232 IOBJBYORWJJRMK-UHFFFAOYSA-N 318.373 2.080 0 40 DEAB Cn1ccnc1CC1CCN(C[C@@H](O)Cc2ccccc2)CC1 105876350 RFUSHMMYUSTAFT-SFHVURJKSA-N 313.445 2.278 0 40 DEAB CC[C@@H](CO)NC(=O)NC[C@H]1CCCc2cc(OC)ccc21 95944957 DDFDQYBLXXUPRC-KGLIPLIRSA-N 306.406 2.185 0 40 DEAB CN(Cc1nc(-c2cccnc2)no1)[C@H]1Cc2ccccc2[C@@H]1O 95987383 ZXENLRPBABTEOU-RDJZCZTQSA-N 322.368 2.222 0 40 DEAB O=C1NC(=S)N/C1=C/c1ccc(-n2cnc3ccccc32)cc1 105556952 ALWYFAUDGONAPU-NTEUORMPSA-N 320.377 2.371 0 40 DEAB CC[C@@H](NC(=O)N1CCNC(=O)CC1)C(C)(C)c1ccccc1 84718780 GHMVXBUIYZJEIL-OAHLLOKOSA-N 317.433 2.274 0 40 DEAB 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DEAB COc1cccc(N[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)c1 2649571 ZSJPSPRHCSBQTC-QGZVFWFLSA-N 324.380 2.477 0 40 DEAB CCOC(=O)c1cn(CC(=O)Nc2ccc(C(C)C)cc2)nn1 4102061 MMGPXYCIISKSDA-UHFFFAOYSA-N 316.361 2.217 0 40 DEAB C[C@]1(CCCO)CCCN1Cc1nc(-c2cccnc2)no1 95454744 ASMWTVAHLQIRJS-MRXNPFEDSA-N 302.378 2.259 0 40 DEAB Cc1noc([C@H]2CCCCN2CC(=O)Nc2nccs2)n1 65286647 LNSUBJDOZUWZDA-SNVBAGLBSA-N 307.379 2.000 0 40 DEAB CN(Cc1ncccc1C(=O)O)Cc1noc2c1CCCC2 65409756 OEAIBXGOUXJMKA-UHFFFAOYSA-N 301.346 2.279 0 40 DEAB COCCN(C)CCCNC(=O)C[C@@H](C)c1ccccc1F 65624543 LVVBISNYBOGYNB-CQSZACIVSA-N 310.413 2.404 0 40 DEAB CC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccs2)c1 14240394 XSALJPUOJJIEKE-UHFFFAOYSA-N 317.370 2.075 0 40 DEAB Cc1nn(C)cc1/C=C1/NC(=S)N(c2ccc(F)cc2)C1=O 6527157 UBHXPZDXQMVCEB-NTUHNPAUSA-N 316.361 2.130 0 40 DEAB Cc1nc(C)c(C)c(N2CCC(CCN3CCOCC3)CC2)n1 95416506 XVHOYLOTQHBQLW-UHFFFAOYSA-N 318.465 2.341 0 40 DEAB Cn1c(CN[C@@H]2CCN(CC(F)(F)F)C2)nc2ccccc21 66991315 ZTOJPSYCWOFCFI-LLVKDONJSA-N 312.339 2.300 0 40 DEAB COC(=O)C1=C(C)N(C)C(=S)N(C)[C@@H]1c1ccc(OC)cc1 5861837 ZQYXBIRISBRGGX-CQSZACIVSA-N 320.414 2.345 0 40 DEAB O=C(O)C1(O)CCN(c2nc(-c3ccccc3)cs2)CC1 71752497 NLFFNELBERLHQI-UHFFFAOYSA-N 304.371 2.226 0 40 DEAB CCCN(CCO)C[C@H](O)c1cccc(Br)c1 71798144 NBIJZPDDXOPEOX-ZDUSSCGKSA-N 302.212 2.187 0 40 DEAB CCCc1nnc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)s1 4975949 GOIKVNLBVWUAAK-SNVBAGLBSA-N 322.434 2.220 0 40 DEAB Cc1ccc([C@H](CNC(=O)[C@H](C)n2ccnc2)N(C)C)cc1 67266998 QPVVNSMHCSKXLX-HOCLYGCPSA-N 300.406 2.172 0 40 DEAB O=C(CN1CCCNC1=O)O[C@H]1CCc2ccc(Cl)cc21 78442843 GSUPBUXWQGUKRC-ZDUSSCGKSA-N 308.765 2.286 0 40 DEAB C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1cccs1 7586354 AADFZAAHCSNXNI-LLVKDONJSA-N 313.386 2.279 0 40 DEAB COc1ccc(C(=O)NCCc2cc(C)ccc2OC)cn1 16236276 SFPDNNZARXCKJN-UHFFFAOYSA-N 300.358 2.380 0 40 DEAB Cc1ccc(CN(C)C(=O)CN2C(=O)c3ccccc3C2=O)cc1 8231966 MVLGDUIZUIMUMT-UHFFFAOYSA-N 322.364 2.250 0 40 DEAB COC(=O)c1ccc2c(=O)[nH]c(-c3cccc(C(=O)O)c3)nc2c1 71815189 LXTSLJYRNFYVTK-UHFFFAOYSA-N 324.292 2.075 0 40 DEAB COc1ccc(CCCN(C)CC(=O)Nc2cc(C)no2)cc1 69347852 KNQZEXGNJLEDSM-UHFFFAOYSA-N 317.389 2.495 0 40 DEAB COC(=O)c1cccc(C(=O)Nc2cccc([S@](C)=O)c2)c1 71893560 GAJLIEPVGYUJKN-JOCHJYFZSA-N 317.366 2.463 0 40 DEAB COC(=O)c1cc(C(C)(C)C)sc1NC(=O)Cn1cncn1 66369762 HDHCUOKRJBMLHR-UHFFFAOYSA-N 322.390 2.062 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 69742047 UJIVCPSSDHEKAU-CQSZACIVSA-N 313.357 2.398 0 40 DEAB CCc1nc(CCNC(=O)NCc2ccccn2)sc1C 69813055 PFAULEMKOKKTQJ-UHFFFAOYSA-N 304.419 2.451 0 40 DEAB O=C(CSc1nnc(CN2CCCCC2)o1)c1ccc[nH]1 8762311 CUVCQUJKUGDKNX-UHFFFAOYSA-N 306.391 2.359 0 40 DEAB CC(C)[C@H](NC(N)=O)C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 8705354 MQJVRJQYKCDDFE-CPRYYRBXSA-N 321.465 2.400 0 40 DEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1occc1C 8980541 PLRLPEOUTXXXGG-UHFFFAOYSA-N 317.297 2.170 0 40 DEAB CN1CCO[C@@H](CNCc2coc(-c3ccccc3Cl)n2)C1 72267873 DKTPTCUEBRZMPL-ZDUSSCGKSA-N 321.808 2.415 0 40 DEAB CCc1nnc(CN2CCOC[C@H]2CC(=O)c2ccccc2)o1 97162983 WQFDBQOOJOFNEE-CQSZACIVSA-N 315.373 2.106 0 40 DEAB Cc1ccnc([C@@H](NC(=O)[C@H](C2CC2)N2CCCC2)C2CC2)n1 97376517 KFNGYDVRNZSBOS-HOTGVXAUSA-N 314.433 2.227 0 40 DEAB COc1ccc(OCCN(C)C(=O)c2ccc(F)cn2)cc1 97371805 SOBPMBQEMPUAKL-UHFFFAOYSA-N 304.321 2.380 0 40 DEAB COC(=O)c1ccc([C@@H](C)N2CCCN(CC(F)F)CC2)o1 95984135 SKCKVKUCXREMNC-LLVKDONJSA-N 316.348 2.400 0 40 DEAB Cc1ccccc1[C@@H](O)CNC(=O)[C@H](C)Cc1c(C)n[nH]c1C 89689181 AVSLZZAUEQXAAV-PXAZEXFGSA-N 315.417 2.363 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)CCCSC(C)(C)C)C1 89954619 YWJKKKSPDOODRF-ZDUSSCGKSA-N 300.468 2.425 0 40 DEAB CCNC(=O)CCNC(=O)C(c1ccccc1)c1ccccc1 408736352 AZGLGNJVFVJHGH-UHFFFAOYSA-N 310.397 2.461 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)[C@H]1CC=CCC1 521396406 VCTOHIGPOYGTAT-RFQIPJPRSA-N 306.406 2.467 0 40 DEAB O=C(Cc1csc(-c2ccncc2)n1)NCc1ccncc1 31868126 SFPJHHPNTXARFD-UHFFFAOYSA-N 310.382 2.459 0 40 DEAB C[C@@](O)(C1CCN(C(=O)c2ccncc2F)CC1)C(F)(F)F 545250139 ZPGYSAYZALAFET-CYBMUJFWSA-N 320.286 2.386 0 40 DEAB O=C(NC[C@@]1(O)C=CCCC1)c1cncc(Br)c1 606440617 HVMNHGRMZIJHOO-CYBMUJFWSA-N 311.179 2.045 0 40 DEAB CO[C@H]1CN[C@@H](C(=O)N(C)Cc2ccccc2C(F)(F)F)C1 567188804 QIJNQIYOARYDGR-DGCLKSJQSA-N 316.323 2.041 0 40 DEAB CCOc1cc2c(cc1NC(=O)COCCOC)O[C@H](C)C2 37132946 JSHIICHOQOOTMN-LLVKDONJSA-N 309.362 2.010 0 40 DEAB O=S(=O)(N[C@H]1CCC[C@@H](O)C1)c1ccc(F)c(Cl)c1 75156908 DKUOKMIHBSOLLL-DTWKUNHWSA-N 307.774 2.061 0 40 DEAB CC[C@@H]1C[C@H](CC(=O)N2CCC[C@@H]2c2ccc(O)nn2)CCO1 530080616 SYLRNIROKPQGJM-UMVBOHGHSA-N 319.405 2.441 0 40 DEAB O=C(NC1CC(N2CCCCC2)C1)c1cccc2nc(O)[nH]c12 572421473 AAPMDRQDTGERLK-UHFFFAOYSA-N 314.389 2.015 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)[C@H](C)n1nc(C)cc1C 88268793 AJCNHTAUCWLCBP-SOUVJXGZSA-N 321.421 2.299 0 40 DEAB COc1ccc(O[C@@H]2CCN(C(=O)c3cc(C)cs3)C2)nn1 225437030 ATMXVXMARVZKLC-LLVKDONJSA-N 319.386 2.149 0 40 DEAB COCCN1CC[C@H]2CN(C(=O)c3ccccc3C)C[C@H]2C1 96081405 KNQPRNLPOQIEAO-JKSUJKDBSA-N 302.418 2.035 0 40 DEAB Cc1ccc(CN2CCn3c(C(=O)N4CCCC4)cnc3C2)cc1 96198670 ZVAUFHLTIODQDX-UHFFFAOYSA-N 324.428 2.443 0 40 DEAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)N1CCCC1)CCO2 96160111 NJGKXXMNDZMSSQ-WBVHZDCISA-N 310.438 2.498 0 40 DEAB c1cnc(N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccncc2)nc1 96200323 GVRHHKUDSXXPAB-DLBZAZTESA-N 310.401 2.488 0 40 DEAB COc1c(C(=O)Nc2cc(C)nc(C(C)C)n2)c(C)nn1C 96462505 ZFOSGNVHUPECEZ-UHFFFAOYSA-N 303.366 2.211 0 40 DEAB Cn1ncc2c1[C@@H](COCC1CC1)CN(Cc1ccccn1)C2 96060112 HNKRWLHXBRIPHT-MRXNPFEDSA-N 312.417 2.341 0 40 DEAB Cc1ncsc1CNC(=O)NC[C@](C)(O)c1cccs1 96417724 NNWYBRWNFYZJJO-ZDUSSCGKSA-N 311.432 2.220 0 40 DEAB O=C(c1ccco1)N1CCCn2cnc(COCC3CC3)c2C1 96059025 LOIFKIJSKDPEKX-UHFFFAOYSA-N 315.373 2.449 0 40 DEAB O=C(NCc1ccco1)[C@H]1CN(C2CCCC2)C[C@H]2OCC[C@H]21 96065591 AKLAQPFNVBGAQY-YESZJQIVSA-N 318.417 2.175 0 40 DEAB CCO[C@@H]1CCN(C(=O)COc2ccccc2C)[C@H]2CCO[C@@H]21 96217417 RNESKUAITPYUGJ-LESCRADOSA-N 319.401 2.169 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2ncoc2C)nc(C)n1 257298664 RMUSVOFSUAYGJK-GFCCVEGCSA-N 301.350 2.100 0 40 DEAB C[C@@]1(c2ncc(CNC(=O)c3cscn3)cn2)CCCCO1 257335829 YMBCPQGXVRRHKP-HNNXBMFYSA-N 318.402 2.279 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)CCCn3nc(C)cc3C)C2)n1 257258884 KVXBEOXPVVKNKF-HNNXBMFYSA-N 315.421 2.328 0 40 DEAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2cccc(O)n2)ccn1 257323796 WLVQJIMRTUKTLK-AWEZNQCLSA-N 312.373 2.226 0 40 DEAB CC(C)(C)c1ccc(S(=O)(=O)NCCc2cn[nH]c2)cc1 379805667 YAYRTVVYKLWTIG-UHFFFAOYSA-N 307.419 2.228 0 40 DEAB O=C(NO[C@H]1CCCCO1)c1ccn(-c2ccccc2F)n1 72059865 AWECXMAYPYKXJS-AWEZNQCLSA-N 305.309 2.199 0 40 DEAB CCCCc1nnc(SCc2nccn2C(F)F)n1N 72302576 VMZLMVXSNVFUAO-UHFFFAOYSA-N 302.354 2.218 0 40 DEAB COc1ccc2[nH]cc(CCNC(=O)N[C@@H](C)[C@@H](C)CO)c2c1 77828228 LFZZHERVZCFKAI-RYUDHWBXSA-N 319.405 2.035 0 40 DEAB CC1CCN(C(=O)c2ccc(NCc3ccnn3C)nc2)CC1 91428442 BXTRHAREJAUQIZ-UHFFFAOYSA-N 313.405 2.299 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1cnn(C2CCOCC2)c1 96104553 RNMNPDFBFIVPSP-UHFFFAOYSA-N 318.377 2.411 0 40 DEAB CS(=O)(=O)CC1(CNc2cncc(Br)c2)CC1 95429682 USRKONIZYXOBSP-UHFFFAOYSA-N 319.224 2.081 0 40 DEAB CCCCO[C@H]1[C@@H]([C@@H]2COC(C)(C)O2)O[C@@H]2OC(C)(C)O[C@H]12 12659514 KNYPSITXAJZDKY-MEBFFEOJSA-N 316.394 2.200 0 40 DEAB biogenic COCC(=O)N1CCc2sccc2[C@H]1c1ccc(N)cc1 13992194 ZDRJGYFIDFOALP-MRXNPFEDSA-N 302.399 2.451 0 40 DEAB CCOc1ncccc1-c1noc(CN2C[C@@H](C)O[C@H](C)C2)n1 19531585 IGRUGFKMBNGHHG-VXGBXAGGSA-N 318.377 2.140 0 40 DEAB Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(N2CCCCCC2)n1 19578993 QVKABEKSSCFYGL-UHFFFAOYSA-N 315.421 2.275 0 40 DEAB COc1ccccc1NCN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 169619923 IATZVIOTMMYCPL-OVWIKQPISA-N 324.380 2.118 0 40 DEAB COCCCNC(=O)c1ccc(-c2cc(N)ccc2OC)o1 226350122 DPRWBHDSVFHUBL-UHFFFAOYSA-N 304.346 2.304 0 40 DEAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC(N)=N2 6067788 LLAKESJIQFAQJA-NJYPJRCCSA-N 304.434 2.289 0 40 DEAB COc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1 4931995 GRTQUDDXRUDZIS-UHFFFAOYSA-N 313.140 2.442 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N(CC(N)=O)c2ccccc2)cc1 12807975 QMMXGSNEPLLUAS-AWEZNQCLSA-N 312.369 2.281 0 40 DEAB COc1ccccc1NC(=O)NC[C@@H]1CN(CC(C)C)CCO1 23624248 VJBIBEPXACRITD-CQSZACIVSA-N 321.421 2.174 0 40 DEAB Oc1cc([C@@H]2CCCCN2C2CCOCC2)nc2nccn12 2037845551 AZDHEHGYSWFPPR-AWEZNQCLSA-N 302.378 2.141 0 40 DEAB O=S(=O)(NCC[C@H](O)c1cccs1)c1cccs1 77114544 GEOIUAKBIXJKTN-VIFPVBQESA-N 303.430 2.212 0 40 DEAB Cc1ccccc1CNC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 40086526 XAAPSHVFCBJKJC-NWDGAFQWSA-N 314.307 2.068 0 40 DEAB O=C(Nc1nccs1)c1cc(-n2cnnn2)ccc1Cl 20427554 NXIWPFKHZRBCOQ-UHFFFAOYSA-N 306.738 2.025 0 40 DEAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](C)(O4)[C@@H]3C2=O)cc1 101136506 INNBGZYVIPYMGZ-LDDOYCOJSA-N 313.353 2.308 0 40 DEAB COc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cn1 32657863 NSZIPKJWIPJZSN-UHFFFAOYSA-N 304.350 2.342 0 40 DEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc2oc(C)nc2c1 32721452 DQAUGRZWSAXMFM-SDBXPKJASA-N 304.350 2.158 0 40 DEAB O=C(NCc1cccnc1)NC1[C@H]2CCC[C@H]1CN(C1CC1)C2 102383364 AGUQDMYKYPDECK-GJZGRUSLSA-N 314.433 2.144 0 40 DEAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCOCC1 41184797 DXEGNXIBKBNJDP-UHFFFAOYSA-N 321.764 2.181 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)NCC(=O)N(C)Cc1nc2ccccc2s1 32826621 CSMJVOGJKUNUNU-MNOVXSKESA-N 317.414 2.027 0 40 DEAB CCN1CCC[C@H]1CNC(=O)Cc1ccc(-n2cccn2)cc1 32930884 HYDLZIABDHNKND-KRWDZBQOSA-N 312.417 2.015 0 40 DEAB Cc1nc(C(=O)NCC[C@@H]2CCCO2)nn1-c1ccc(F)cc1 23189842 HFQKUGJSFSFJMQ-AWEZNQCLSA-N 318.352 2.014 0 40 DEAB CC(C)c1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 115061 FCRSYMVPLJCNRR-NSHDSACASA-N 305.359 2.440 0 40 DEAB O=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1ccccc1 75496515 ACSHIRCGWVQEPJ-UHFFFAOYSA-N 300.343 2.068 0 40 DEAB CC(C)(C)n1cc(CN2CCCN(c3cccnn3)CC2)cn1 93151071 DVOHQTBIBGDPSO-UHFFFAOYSA-N 314.437 2.140 0 40 DEAB COc1ccccc1NC(=O)c1nn(-c2ccccc2)ccc1=O 1394388 ZFHYXCMZWOMYEO-UHFFFAOYSA-N 321.336 2.493 0 40 DEAB CCn1cc(/C=C2/NC(=S)N(Cc3ccccc3)C2=O)cn1 101338344 DVNBFWDDEALQNF-RIYZIHGNSA-N 312.398 2.161 0 40 DEAB CCC(CC)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 57290063 YIOCPTOCUAPFIY-UHFFFAOYSA-N 307.413 2.253 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1ccc(CN2CCCC2)cc1)C(C)C 12620322 DGHVWDZLJMQGNG-KRWDZBQOSA-N 317.433 2.382 0 40 DEAB CCN1CCC[C@@H]1CN[C@H](C)CC(=O)Nc1ccccc1OC 108179812 DSJSNJOHAOUPTL-HUUCEWRRSA-N 319.449 2.486 0 40 DEAB Cc1cc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)no1 48275067 UCVFJSDBOUFBNU-HNNXBMFYSA-N 313.357 2.077 0 40 DEAB Cn1c(C(=O)NC2(C(N)=O)CCCC2)ccc1-c1ccccc1 76040754 KSZBMBNHOOIAQK-UHFFFAOYSA-N 311.385 2.220 0 40 DEAB Cc1cc(Br)c(S(=O)(=O)n2ccnc2)cc1C 27588112 UMYBJPMQPTXIQN-UHFFFAOYSA-N 315.192 2.499 0 40 DEAB O=C1CCc2cc(NS(=O)(=O)c3ccccc3)ccc2N1 9828272 FZQFJUXZUHUIEO-UHFFFAOYSA-N 302.355 2.372 0 40 DEAB CC(=O)N(C)C1CCN(Cc2nc3ccccc3nc2C)CC1 58166290 RXFOWTLDQMJDOM-UHFFFAOYSA-N 312.417 2.381 0 40 DEAB Cc1csc(=O)n1CCC(=O)N1CCC[C@H](C(F)(F)F)C1 44874925 SAWCQIURNPGEPR-JTQLQIEISA-N 322.352 2.409 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)N1CCN(c2nccs2)CC1 44893994 SZEIBZYVVDNPLF-ZDUSSCGKSA-N 317.414 2.259 0 40 DEAB CC1CCN(C(=O)COc2cc(Cl)ccc2C(N)=O)CC1 58290119 FGUBVKRKSBCXRD-UHFFFAOYSA-N 310.781 2.076 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ccc(C(N)=O)cc1 48367958 JFBSTNHOKASZRU-JYJNAYRXSA-N 316.401 2.092 0 40 DEAB CCc1ccc(-c2noc(CN3CCN(CC)CC3)n2)cc1 48310705 YGHAMHXEEIXBIN-UHFFFAOYSA-N 300.406 2.437 0 40 DEAB CCC(=O)N1CCN(C(=O)[C@@H](C)SCc2ccccc2)CC1 58305113 CQJYRZKHYAHWCK-CQSZACIVSA-N 320.458 2.389 0 40 DEAB CN(Cc1ccsc1)C(=O)Nc1ccccc1CC(N)=O 45723617 VPMQUHXXVLKSGB-UHFFFAOYSA-N 303.387 2.440 0 40 DEAB O=C(CNc1ccc(C(F)(F)F)cc1Cl)N1CCNC1=O 11717420 BDBBOKBWYAMWHY-UHFFFAOYSA-N 321.686 2.323 0 40 DEAB CCOc1ncccc1C(=O)NC[C@@H]1COc2ccccc2O1 3534447 UKDZRPQWPYWZHQ-GFCCVEGCSA-N 314.341 2.050 0 40 DEAB CCOCCCC(=O)NCc1cnn(Cc2ccccc2)c1 47188077 QJBXPCQQKUUPGB-UHFFFAOYSA-N 301.390 2.364 0 40 DEAB COc1cccc(CN(C[C@@H]2CCCO2)C(=O)c2cc[nH]n2)c1 64825275 IGASFHACVYXNOL-HNNXBMFYSA-N 315.373 2.240 0 40 DEAB Cc1nc2n(n1)[C@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)N2 13721400 PUFWSSSKNOCESS-CYBMUJFWSA-N 313.361 2.232 0 40 DEAB O=C(Cn1nnc2ccccc21)NCc1ccc(Cl)cc1 5109815 IVVGEASRAXLBSQ-UHFFFAOYSA-N 300.749 2.401 0 40 DEAB COc1ccc(N(C)C(=O)c2cccc(C[S@](C)=O)c2)cn1 65592062 LBDTXDUKHTZVMP-JOCHJYFZSA-N 318.398 2.245 0 40 DEAB c1cnc(SCCCNCc2ccc3c(c2)OCO3)nc1 4984031 UGRYZKUNMKVNIV-UHFFFAOYSA-N 303.387 2.477 0 40 DEAB CCCn1nnnc1COC(=O)c1ccc2ccccc2c1O 7358060 AYKUTBRSQLKRFQ-UHFFFAOYSA-N 312.329 2.299 0 40 DEAB C[S@@](=O)CCCNCc1cc(F)ccc1Br 96485567 DCHBCYHPXVENMJ-INIZCTEOSA-N 308.216 2.446 0 40 DEAB CC(C)c1nnc(S(=O)(=O)C[C@H]2CCCCO2)n1C1CC1 96451868 AZNYXYWQWWBQEH-GFCCVEGCSA-N 313.423 2.079 0 40 DEAB O=C(CN1CCc2ccccc21)c1c[nH]c(C(=O)N2CCCC2)c1 8027024 YVADHWGAOTXCEH-UHFFFAOYSA-N 323.396 2.496 0 40 DEAB Cc1ccc2nc(COC(=O)c3ccc(C(N)=O)cc3)cn2c1 16678750 VPRDNVQIIOPAOQ-UHFFFAOYSA-N 309.325 2.099 0 40 DEAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H]1CCn2cncc2C1 95445815 IXBPWMPHXPOFMH-UKRRQHHQSA-N 313.401 2.241 0 40 DEAB COc1cccc(CN2CCO[C@H](Cn3nc(C)cc3C)C2)c1 69378925 AQBBZTXULYLSPX-SFHVURJKSA-N 315.417 2.410 0 40 DEAB CCCc1nc(CN2CCN(Cc3nccn3C)CC2)cs1 69454139 OKXDRKHTOPCTTR-UHFFFAOYSA-N 319.478 2.147 0 40 DEAB CCN(C)[C@@H](C(=O)NCCc1cscn1)c1ccccc1 71896351 HTRGFUQTQKXQPI-OAHLLOKOSA-N 303.431 2.495 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCCc3ccccc32)C1 69520606 ROWARTGGLSLVOU-ZBFHGGJFSA-N 315.417 2.361 0 40 DEAB Cc1noc(COCC(=O)N[C@H](C)c2ccccc2Cl)n1 71907488 RLNGPNFWCBRAAY-SECBINFHSA-N 309.753 2.425 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(Cl)ccn1)CC2 84800888 MKWMLQZSPPLNEA-ZIAGYGMSSA-N 324.808 2.127 0 40 DEAB CS(=O)(=O)CCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12 89484308 BJBIRXAIANMSHC-HOTGVXAUSA-N 317.410 2.104 0 40 DEAB Cc1ccc(CNC(=O)c2cncc(Br)c2)n1C 8704161 ULMZDBQYURVTRV-UHFFFAOYSA-N 308.179 2.421 0 40 DEAB COc1ccc(Cl)cc1CCN1C(=O)N[C@@H](C(C)C)C1=O 97045879 DLYDQDIKZANMOA-ZDUSSCGKSA-N 310.781 2.468 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72235290 IOQMRJICIVOSLN-CQSZACIVSA-N 302.378 2.284 0 40 DEAB Cn1cc(C2CCN(C[C@H](O)c3ccccc3F)CC2)cn1 97203048 OGBLYTUWGFKVHV-KRWDZBQOSA-N 303.381 2.472 0 40 DEAB Cc1ccccc1OCCN(C)c1nnc(Cl)cc1C(N)=O 75136749 UQSOMTOLVKDSDC-UHFFFAOYSA-N 320.780 2.053 0 40 DEAB C[C@@H](CNC(=O)N1C[C@H]2CC=CC[C@H]2C1)CC1(C)OCCO1 95965499 KHCOLXKYPHKBMG-KFWWJZLASA-N 308.422 2.383 0 40 DEAB COCCCOc1cc(C)ccc1CNc1nccn(C)c1=O 88744473 GNWFDTNMOWCOHN-UHFFFAOYSA-N 317.389 2.116 0 40 DEAB O=C(NC[C@H](O)C(F)(F)F)[C@@H]1SCCc2sccc21 89885370 RFOLRMNBZRCSBO-DTWKUNHWSA-N 311.350 2.118 0 40 DEAB CC(C)c1ccc(N2C(=N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 26505245 FTNFZRYMIMXYDD-STQMWFEESA-N 310.444 2.464 0 40 DEAB O=C(COC(=O)c1cc(Cl)c[nH]1)NCCOc1ccccc1 32777174 RWNPVJKYOMCYTR-UHFFFAOYSA-N 322.748 2.020 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@H]2COCc1ccccn1 306137961 RLCUJOXZPGGXIL-AWEZNQCLSA-N 304.390 2.016 0 40 DEAB CC(C)c1nc2n(n1)C[C@@H](NCc1cccc3c1OCO3)CC2 69898450 VQAFQFHLNKECON-ZDUSSCGKSA-N 314.389 2.235 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2n2cc(CO)nn2)s1 530465068 FMXKWQXBEAIRHG-QWHCGFSZSA-N 320.418 2.054 0 40 DEAB COC(=O)N1CC[C@@H](NC(=O)C[C@H](C)Cc2cccc(F)c2)C1 74030259 IETDPCSPPGLNIV-IUODEOHRSA-N 322.380 2.351 0 40 DEAB CCN(Cc1ccccc1)C[C@H]1CCCN1C(=O)[C@@H](N)C(C)C 79415811 FRGJTDSUAZVNOE-MSOLQXFVSA-N 317.477 2.483 0 40 DEAB O=C(NCc1cc(-c2ccccc2F)on1)c1ccc[nH]c1=O 38754365 XSQDOLDSLSENKG-UHFFFAOYSA-N 313.288 2.099 0 40 DEAB Cc1ccc(CCNS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239189 HBLOUJAKNZPKJE-UHFFFAOYSA-N 307.419 2.293 0 40 DEAB COCCNc1ccc(C[C@H]2CCCN(C(C)=O)CC2)cn1 72364889 GCOAUIXGCBPIPT-HNNXBMFYSA-N 305.422 2.331 0 40 DEAB CCN(CCN)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391786 RVHXEKFSPXOJTR-INIZCTEOSA-N 305.422 2.068 0 40 DEAB N[C@@H]1C(=O)N(c2ccc3c(c2)OCO3)[C@H]1c1cccc(Cl)c1 72227583 ATMOSSONZDADHU-GJZGRUSLSA-N 316.744 2.484 0 40 DEAB COCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cn1 225879047 ZLDRGWTYKWTSSU-UHFFFAOYSA-N 313.568 2.416 0 40 DEAB CNCc1ccc(CNS(=O)(=O)c2cc(C)oc2C)cc1 195555308 YDBATKVRYBVMFO-UHFFFAOYSA-N 308.403 2.094 0 40 DEAB CC(C)[C@]1(CO)CCCN(C(=O)c2ccc3n[nH]cc3c2)C1 571554166 WLKMVNIUYCFOCW-QGZVFWFLSA-N 301.390 2.434 0 40 DEAB Cc1nc2cc(CNC(=O)[C@@](C)(O)C3CC3)ccc2n1C1CC1 576171386 MJSCWXXHTJLKIJ-SFHVURJKSA-N 313.401 2.457 0 40 DEAB CC(C)[C@@H]1CCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 576196568 CPEQQNKELWBOSL-ZDUSSCGKSA-N 311.403 2.267 0 40 DEAB O=S(=O)(Cc1ccncc1)c1ccc(Br)cn1 191027735 NZRRLHJKALWLBS-UHFFFAOYSA-N 313.176 2.213 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cncn1-c1ccccc1)C2 97199223 OOKROCLZWFWQQS-AWEZNQCLSA-N 321.384 2.122 0 40 DEAB CN(C)c1ccc(CNCc2c[nH]nc2-c2cccnc2)cn1 97159391 FSLHBZBINDXPHQ-UHFFFAOYSA-N 308.389 2.223 0 40 DEAB CCn1nnc2c1CCN(C(=O)c1ccc(C)s1)[C@@H]2COC 96045337 HEJFZIWMYJDJRE-GFCCVEGCSA-N 320.418 2.054 0 40 DEAB C[C@@H](NC(=O)NCc1nccn1C)c1cccc(-n2cccn2)c1 96444019 YTVXNSROQNINSG-CYBMUJFWSA-N 324.388 2.166 0 40 DEAB COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccoc1C 96484469 YKLUDPGAIADJDV-AWEZNQCLSA-N 305.305 2.241 0 40 DEAB COCCC1(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CCC1 96473461 NWPXWTBWEGGKBL-MJBXVCDLSA-N 310.438 2.306 0 40 DEAB C[C@H](CCNC(=O)N1CCS(=O)(=O)C[C@H]1C)c1ccccc1 96417692 VUMKYWDDDYFURK-ZIAGYGMSSA-N 324.446 2.009 0 40 DEAB c1csc(CN2CCO[C@@H]3[C@H](Cn4cnnc4)CC[C@H]32)c1 247841340 QCQAOFFAMRPJHK-NWANDNLSSA-N 304.419 2.019 0 40 DEAB CN(C)c1cccc([C@@H]2CN(C(=O)c3cccs3)CCO2)n1 257295522 QYQONDRAEGDIPV-ZDUSSCGKSA-N 317.414 2.423 0 40 DEAB CNc1cc([C@H]2CCCN(C(=O)c3cnc(C)cn3)C2)ccn1 257285138 PFVAPMCLGXQGSD-AWEZNQCLSA-N 311.389 2.242 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1cnccn1 257283501 OYPNITHUPQBRBE-QGZVFWFLSA-N 321.384 2.498 0 40 DEAB C[C@]1(O)CN(C(=O)c2ccccn2)CC[C@@H]1Oc1ccccc1 257236529 HCPGWHRQTPLFEU-WMZOPIPTSA-N 312.369 2.126 0 40 DEAB CC(=O)N1CCC(c2cccc(N3C[C@H](C)OC3=O)n2)CC1 257296276 RCAOOJXICFGVGA-NSHDSACASA-N 303.362 2.153 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCn3ccc(C)n3)C2)n1 257202828 ANPLRYVGVXWLOW-CQSZACIVSA-N 301.394 2.019 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)N1CCc2ncncc2C1 96122859 BIQPEWLSFSXXQT-UHFFFAOYSA-N 323.805 2.185 0 40 DEAB Cc1cccc(NC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)c1 585141285 SSWHLAKRHFOMAS-AWEZNQCLSA-N 308.403 2.036 0 40 DEAB O=C1CC[C@]2(CCCN(C(=O)CCOc3cccc(F)c3)C2)O1 585282281 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O=C(NCCc1cc(Cl)cc(Cl)c1)[C@@H]1CSCN1 155715411 KHHCNDBIFXIBQT-NSHDSACASA-N 305.230 2.315 0 40 DEAB O=C(c1ccno1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238882483 PMSRPXMKDUBMAJ-SECBINFHSA-N 316.342 2.416 0 40 DEAB Cc1nccc(N2CCN(Cc3ccncc3F)[C@H](C)C2)n1 2086864675 OCXHTXLLWJWNDD-GFCCVEGCSA-N 301.369 2.030 0 40 DEAB C[C@@H]1CCc2sc3ncn4nc(CCC(=O)O)nc4c3c2C1 2194691 BDRFPVSZSVUPQG-MRVPVSSYSA-N 316.386 2.481 0 40 DEAB Cc1ccc(-n2nnnc2CNC(=O)NC2CCCCC2)cc1 17052176 JWKMOGVNQNUVPD-UHFFFAOYSA-N 314.393 2.103 0 40 DEAB CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2)s1 22863309 LTXVDMAOXKNXBN-UHFFFAOYSA-N 308.388 2.227 0 40 DEAB Cc1cc(C(=O)/N=c2/sc3cc4c(cc3n2C)OCO4)no1 101025829 XQHNDKNOZVKZLN-CCEZHUSRSA-N 317.326 2.006 0 40 DEAB O=C(CN1CCC(Oc2nccs2)CC1)N1CCCCCC1 2086860431 SYZFWBMWIFXSMU-UHFFFAOYSA-N 323.462 2.389 0 40 DEAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cc(-c2ccco2)on1 36709826 FZWBWNPEEBDBRQ-UHFFFAOYSA-N 322.284 2.163 0 40 DEAB CS(=O)(=O)c1ccc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cc1 2298045830 VPJKVSFNNSQUSZ-OKILXGFUSA-N 320.458 2.011 0 40 DEAB CCOc1ccc(S(=O)(=O)N[C@@H](CC)CO)c2ccccc12 11566203 NDEGIAGQJFRTTA-LBPRGKRZSA-N 323.414 2.288 0 40 DEAB Cc1cc(N(C)C)ccc1NC(=O)[C@H](C)NC(=O)c1ccco1 40111566 JBJALGYKNXSLOL-LBPRGKRZSA-N 315.373 2.411 0 40 DEAB O=C1Nc2ccccc2[C@@H]1CC(=O)N1CCC[C@H]1Cn1cccn1 100901581 HSZWXVXFVVLKJX-ZFWWWQNUSA-N 324.384 2.000 0 40 DEAB O=C(c1ccccc1)N1CCN(C(=O)[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101130599 LFQMSUPHFGAMAY-XIRDDKMYSA-N 310.397 2.183 0 40 DEAB CN(C)C(=O)c1ccccc1NS(=O)(=O)c1cccs1 32350048 MTWKCGDOTUVVAK-UHFFFAOYSA-N 310.400 2.251 0 40 DEAB Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)oc2c(Cl)cccc12 41126583 BQDRYYNOINZXLK-VIFPVBQESA-N 306.749 2.342 0 40 DEAB Cc1nc2c(cnn2C(C)C)cc1C(=O)O[C@@H]1C[C@@H](C)OC1=O 32850610 VTXSFAXABHTJHP-NOZJJQNGSA-N 317.345 2.181 0 40 DEAB O=C(/C=C/c1ccccc1Cl)NCc1nnc2n1CCC2 32906562 NWDKKWPMKHZSDQ-BQYQJAHWSA-N 302.765 2.207 0 40 DEAB Cc1cc(CN2CCC[C@@H](CCNC(=O)C3(N)CC3)C2)oc1C 71278994 YXPDNFZMBNPDBD-HNNXBMFYSA-N 319.449 2.106 0 40 DEAB Fc1ccc2ncnc(NCCCCN3CCOCC3)c2c1 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Cc1c(Cl)cccc1S(=O)(=O)NC1CCC(O)CC1 35234340 YAZNASPDMPZMBK-UHFFFAOYSA-N 303.811 2.230 0 40 DEAB O=C(NC[C@@H](c1cccs1)N1CCCC1)NC[C@H]1CCCO1 44892567 ULNYLIVWTBWNRX-KGLIPLIRSA-N 323.462 2.363 0 40 DEAB CC(C)(C)NC(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58291162 QMDSICMKCDPSOU-UHFFFAOYSA-N 313.419 2.164 0 40 DEAB CCN(CC(=O)NCCC(=O)NC1CCCC1)c1ccccc1 58289359 MAEXXBVFMBDYMF-UHFFFAOYSA-N 317.433 2.078 0 40 DEAB CCc1ccc(O)c(C(=O)N2CCC(C(=O)NC3CC3)CC2)c1 58282288 GRDIJCPJFYUNPA-UHFFFAOYSA-N 316.401 2.085 0 40 DEAB CS[C@H](C)C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 44952225 KGIKAMRPSPQQBA-VXGBXAGGSA-N 308.451 2.420 0 40 DEAB C[C@H](NC(=O)NCc1ccc(-n2cccn2)cc1)[C@@H]1CCCO1 44970524 AXDNWRJULVNETI-BBRMVZONSA-N 314.389 2.239 0 40 DEAB O=C1CC(=O)c2c(c3ccccc3n(-c3ccccc3)c2=O)O1 100931178 ZUULRXCRUWSJKM-UHFFFAOYSA-N 305.289 2.483 0 40 DEAB O=C1[C@@H]2CN(CC3CCOCC3)C[C@@H]2CN1c1ccccc1 107742972 FKWLDJUCPWYZAJ-NVXWUHKLSA-N 300.402 2.008 0 40 DEAB O=C(Cc1c(F)cccc1F)N1CCC[C@H](Cn2cncn2)C1 176425777 VLYZJRZENHMFFF-LBPRGKRZSA-N 320.343 2.038 0 40 DEAB Cc1noc(C)c1CN(C)Cn1nc(-c2cccs2)oc1=O 46478456 YQKFNKUAUXMSGV-UHFFFAOYSA-N 320.374 2.259 0 40 DEAB CCOc1ccc(C(=O)N(C)CC[C@H]2CCCCN2C)cn1 72297699 MWARGTICMZWLLD-OAHLLOKOSA-N 305.422 2.427 0 40 DEAB COCCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 47199225 NDMRMBBVICNRFG-UHFFFAOYSA-N 316.405 2.311 0 40 DEAB COc1ccc(CC(=O)NC[C@@H](c2ccco2)N(C)C)cc1 3413596 FYIMSXRWMFWERX-HNNXBMFYSA-N 302.374 2.250 0 40 DEAB Cc1noc(C)c1CC(=O)NCc1ccc(OC(C)C)nc1 48516738 CDIUREYRJUHTOC-UHFFFAOYSA-N 303.362 2.333 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 12975493 XYQUQHGACAGLCG-GJZGRUSLSA-N 312.369 2.139 0 40 DEAB Cc1ccc2nc(C)c(C(=O)N3CCCS3(=O)=O)cc2c1 48741898 JFOGLLBNYOJLIC-UHFFFAOYSA-N 304.371 2.027 0 40 DEAB Cc1cccc2c(=O)n(CCC(=O)Nc3nccs3)cnc12 9112108 NGWRXRBNLHCQOH-UHFFFAOYSA-N 314.370 2.190 0 40 DEAB Cc1cc(C)c(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c(=O)[nH]1 95438284 JOCGIGGZYKGXIV-JSGCOSHPSA-N 312.369 2.286 0 40 DEAB COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3c(C)cccc32)c1 4393227 IBGOJVQNCOZDPI-GOSISDBHSA-N 311.337 2.416 0 40 DEAB CN1N=C(C(=O)N2CCCCC[C@@H]2c2cccn2C)CCC1=O 65568778 VIIVMOBAXUWVCA-OAHLLOKOSA-N 316.405 2.077 0 40 DEAB O=C(NCCOc1ccccc1)c1cnn(-c2ccccc2)n1 14141343 XKTFFYCSOIBHSY-UHFFFAOYSA-N 308.341 2.076 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C[C@H]1C=CCC1 14372055 QWBHBSSYVPDSHZ-JTQLQIEISA-N 303.387 2.299 0 40 DEAB CC1CCC(NC(=O)C[C@@H](NC(N)=O)c2ccccc2)CC1 14348011 YTXKXRUOYKMCEU-PESDSKBTSA-N 303.406 2.481 0 40 DEAB C[C@H](Sc1ncccn1)C(=O)NCCc1ccc(F)cc1 6913161 QLLKZHIHPXZQAY-NSHDSACASA-N 305.378 2.455 0 40 DEAB O=C(Cc1nc2sc3ccccc3c2c(=O)[nH]1)N1CCCC1 80128067 ZOAAJBSLUGTGLU-UHFFFAOYSA-N 313.382 2.303 0 40 DEAB COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cc[nH]n2)c1 68380505 IGASFHACVYXNOL-OAHLLOKOSA-N 315.373 2.240 0 40 DEAB Cc1ccc2cc(CN3C(=O)C(=O)N(C)C3=O)c(Cl)nc2c1 7786350 WWTBKJLBJJUBPR-UHFFFAOYSA-N 317.732 2.117 0 40 DEAB CN(CC(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccccc1 81095336 IHOCVUBJUCRRQA-UHFFFAOYSA-N 314.389 2.379 0 40 DEAB CN(C)[C@H](CNC(=O)c1ccc2nccnc2c1)c1ccco1 8341257 ZYEYSIJVSOSWJW-OAHLLOKOSA-N 310.357 2.256 0 40 DEAB COc1ccc(C(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)cc1 69489623 IQHOHZNMWOPAIO-CQSZACIVSA-N 318.417 2.320 0 40 DEAB C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(N2CCCC2)nn1 97002211 NEKFOXGQNJNVKA-NWDGAFQWSA-N 306.435 2.043 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCC[C@@H]1Cn1cccn1 69744723 YHSCNQVEKRGDPQ-CYBMUJFWSA-N 322.368 2.029 0 40 DEAB O=C(CNC(=O)NCc1ccc2ccccc2c1)NCC1CC1 97049315 UMRLLXQCVPCSQI-UHFFFAOYSA-N 311.385 2.165 0 40 DEAB Cc1nc2n(c1C)CCN([C@H](C)c1nnnn1-c1ccccc1)C2 97201708 SMBDSIVUCQVQED-CQSZACIVSA-N 323.404 2.052 0 40 DEAB COC(=O)C(C)(C)[C@H]1CCCN(Cc2cc(C(N)=O)cs2)C1 97235726 LOTZYHGBUNTAAM-LBPRGKRZSA-N 324.446 2.258 0 40 DEAB OCCn1ncc2c(NCC3(c4ccccc4)CCC3)ncnc21 97200338 BXGQTUSGMFDEML-UHFFFAOYSA-N 323.400 2.352 0 40 DEAB O=C(NCc1cc2ccccc2o1)c1cnc2ccccn2c1=O 95350870 MEKHOZZHQXCSDE-UHFFFAOYSA-N 319.320 2.371 0 40 DEAB O[C@@H](CNc1ncnc2sc3c(c12)CCC3)COCC1CC1 95393396 RVHTVWTVSRGMJR-NSHDSACASA-N 319.430 2.379 0 40 DEAB COCCOc1ccc(NC(=O)N2CCC[C@@H]2C[C@H](C)O)cc1 84637171 DCLUJUSTKAQOBT-DZGCQCFKSA-N 322.405 2.479 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@H](C)CCc2ccco2)c(=O)[nH]1 75111105 FWILIXILMCHLDO-GFCCVEGCSA-N 317.389 2.405 0 40 DEAB O=C(NC[C@@]1(O)CCSC1)N[C@H](c1ccc(F)cc1)C1CC1 89782822 AQDSSDUIXLHCPH-HOCLYGCPSA-N 324.421 2.444 0 40 DEAB COc1c(C)cccc1C(=O)NC(=S)Nc1ncccc1O 21596276 FLCYTOJVXAKPOH-UHFFFAOYSA-N 317.370 2.231 0 40 DEAB Cc1n[nH]c([C@@H]2CN(CCCOc3ccc(F)cc3)CCO2)n1 76048640 WJAXXWQBKOBPPY-HNNXBMFYSA-N 320.368 2.095 0 40 DEAB CC(C)CN1CCc2nc(N3CCCC3)nc(N(C)C)c2C1 35919107 SFEBWLMMTJODCR-UHFFFAOYSA-N 303.454 2.157 0 40 DEAB O=C1CN(Cc2cccc3[nH]ncc23)CN1Cc1ccccc1 1560672746 RGSUMJXRXYPXAT-UHFFFAOYSA-N 306.369 2.365 0 40 DEAB Cc1nc2c(ccn2C)c(I)c1C=O 218473136 NOPKJXLARKIEME-UHFFFAOYSA-N 300.099 2.299 0 40 DEAB CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 79391273 DOVPZTAIJAVTKW-YNEHKIRRSA-N 313.442 2.018 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cnn(C)c1 72336937 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CCCC(=O)N(Cc1cccc(OC)c1)[C@H](C)C(=O)NCC 224006848 MHQGHVQQJHDKDI-CYBMUJFWSA-N 306.406 2.349 0 40 DEAB CN(C)C(=O)c1cccc(C[S@@](=O)C[C@@H]2CCCCO2)c1 96452470 RXWDGVRHZCMUOQ-BTYIYWSLSA-N 309.431 2.206 0 40 DEAB CCN(Cc1ccncc1Cl)[C@@H](C)CS(=O)(=O)CC 96441432 MRJBOYSFWWCTKT-NSHDSACASA-N 304.843 2.380 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H](N)C1CCCCC1 96482582 GRLOBOXOOUPIEQ-KRWDZBQOSA-N 318.417 2.324 0 40 DEAB C[C@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 230216726 QKRRJQMHNFWMCS-SSDOTTSWSA-N 314.172 2.494 0 40 DEAB CC[C@@H](C)[C@@](C)(O)CNC(=O)Cc1c(C)nn(C(F)F)c1C 96437140 ZPIHQRVQEOCTNG-PSLIRLAXSA-N 317.380 2.351 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1nccn1C)c1ccccc1 96421321 HIVWHTOZMRFXBS-OAHLLOKOSA-N 300.406 2.233 0 40 DEAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)c1csnn1 96419361 VJBWTBOSORLION-ZDUSSCGKSA-N 316.430 2.275 0 40 DEAB Cc1noc(C)c1CN1CCC(NC(=O)c2ccncc2)CC1 98211939 VBXGZHSAXGYWRM-UHFFFAOYSA-N 314.389 2.081 0 40 DEAB OCC1(NCc2ccc(F)c(C(F)(F)F)c2)CCOCC1 96484923 NGBCEXOZWMRJOO-UHFFFAOYSA-N 307.287 2.476 0 40 DEAB CS[C@@H](C)CN[C@@H](C)c1ccc(NS(C)(=O)=O)cc1 90726850 ICIOTACAEHQITJ-QWRGUYRKSA-N 302.465 2.460 0 40 DEAB Cc1cccc(C(=O)N2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)n1 96053621 ZYGIKHFEYKMAEW-HOCLYGCPSA-N 321.380 2.125 0 40 DEAB CC(C)[C@H](O)CC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C 248937915 YLUPYHREGRSTFZ-DJIMGWMZSA-N 304.434 2.030 0 40 DEAB CCN1CC[C@H]2[C@H](C1)OCCN2C(=O)CCc1ccsc1 252503753 VGPPIJNQOQLLFG-GJZGRUSLSA-N 308.447 2.002 0 40 DEAB Cc1c[nH]c([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 257305526 SQKRQFAZEYUWEE-CYBMUJFWSA-N 309.366 2.383 0 40 DEAB COCC[C@@H]1CCOC12CCN(Cc1cccnc1OC)CC2 585105559 ZUAPZQMPQKTOEQ-MRXNPFEDSA-N 320.433 2.498 0 40 DEAB Cc1nn(C2CCOCC2)cc1NC(=O)[C@H](F)C(F)(F)F 1548790018 RBROYLXAFPKDDK-JTQLQIEISA-N 309.263 2.382 0 40 DEAB O=C(O)[C@H]1CN([C@@H]2C[C@@H]2F)c2c(cc(F)c(F)c2Cl)C1=O 169725171 OVOOIZQRRLHKRY-VMHSAVOQSA-N 319.666 2.432 0 40 DEAB O=C(Cn1cncn1)Nc1nc2c3c(ccc2s1)CCCC3 70933104 SGGPHIFZFUCOGJ-UHFFFAOYSA-N 313.386 2.405 0 40 DEAB CCc1noc(CNc2cccc(-c3nnnn3C3CC3)c2)n1 59800143 YCFDYKMJABHKMI-UHFFFAOYSA-N 311.349 2.233 0 40 DEAB CN(C)c1nc(CNC(=O)NC[C@]2(C)CCCS2)cs1 89919385 BYIRQMNINOENRK-ZDUSSCGKSA-N 314.480 2.294 0 40 DEAB Cc1cc(=O)[nH]c([C@H](C)Sc2nncn2Cc2ccco2)n1 95425860 IUJYNHOCEIPOGK-JTQLQIEISA-N 317.374 2.164 0 40 DEAB Cn1cc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)cn1 12183949 RLIMFTVOGYZIJC-AWEZNQCLSA-N 312.373 2.165 0 40 DEAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NCc1ccncc1 13320361 KEUYELIHZTYLBG-OCVGTWLNSA-N 314.385 2.391 0 40 DEAB CC(C)NC(=O)CCCn1nc(-c2cccs2)ccc1=O 13698514 QEQRDTNPDSGQIP-UHFFFAOYSA-N 305.403 2.277 0 40 DEAB CS(=O)(=O)Nc1cccc(C(=O)NCc2ccc(F)cc2)c1 16640699 VQPBSZZEZRJAFG-UHFFFAOYSA-N 322.361 2.127 0 40 DEAB CC(C)(C)CC(=O)N1CCc2nc([C@H]3CCCN3)ncc2C1 19082714 IRMANXDNPSQPHS-CQSZACIVSA-N 302.422 2.222 0 40 DEAB CCN1CCN(C[C@@H](O)COc2ccc(Cl)c(C)c2)CC1 19363133 DXIJJSKQKLBVAK-CQSZACIVSA-N 312.841 2.026 0 40 DEAB Cc1cccn2c(=O)c3cc(C(=O)NC(C)(C)C)n(C)c3nc12 2917278 HLADOQQYAKCOOL-UHFFFAOYSA-N 312.373 2.023 0 40 DEAB Cc1cc(C(=O)NCc2nc3ccccc3[nH]2)nc(C2CC2)n1 1889186674 JLPLIYIYJAJQKA-UHFFFAOYSA-N 307.357 2.469 0 40 DEAB O=C1CCC2(CCN(C(=O)c3cc[nH]c3)CC2)CN1CC1CC1 1565544678 QMBVQVRMPXOVPZ-UHFFFAOYSA-N 315.417 2.270 0 40 DEAB CCCCOC[C@@H](O)CN1CCN(c2ccccc2F)CC1 12420159 KMDJOGMZMCEXJD-HNNXBMFYSA-N 310.413 2.125 0 40 DEAB CC[C@H](C)NC(=O)CCCCCn1nnc2ccccc2c1=O 19809038 SIUQUIYDDJILIS-ZDUSSCGKSA-N 316.405 2.267 0 40 DEAB Cc1ccccc1CN1N=N[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 101167576 AHSNKODKBLGZNY-HOTGVXAUSA-N 320.352 2.488 0 40 DEAB Cc1cc(O[C@H]2CCN(C(=O)Cc3cccs3)C2)cc(=O)o1 218879169 UGWPUTFMDBVROQ-LBPRGKRZSA-N 319.382 2.232 0 40 DEAB O=C(NCC[C@@H](O)c1ccco1)Nc1ccc2c(c1)OCO2 77112892 DQAZUAINIJVTOU-LLVKDONJSA-N 304.302 2.254 0 40 DEAB O=C(O)[C@H]1CN(C(=O)OCc2ccccc2)CC12CCOCC2 85347742 LEWBEPAKAYGKGR-CQSZACIVSA-N 319.357 2.136 0 40 DEAB CCOC(=O)c1s/c(=N\C(=O)c2ccc(F)cc2)n(C)c1C 100837598 MVMUAUZRSSNQPF-ICFOKQHNSA-N 322.361 2.452 0 40 DEAB COC(=O)c1ccc(CN(C)c2cc(Cl)nc(N)n2)cc1 30521656 RQUFBPVOAHWODE-UHFFFAOYSA-N 306.753 2.135 0 40 DEAB Cc1cccc(-c2nc(CN(C)CC(=O)N3CCCC3)no2)c1 30922106 LDOPHLNJQJZNJT-UHFFFAOYSA-N 314.389 2.099 0 40 DEAB Cc1cccc(Cn2cnc3sc(C(N)=O)c(C)c3c2=O)c1 149890 BNVQFVKRZLHOGG-UHFFFAOYSA-N 313.382 2.222 0 40 DEAB C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccccn1 40540142 OPFHTVHGCAKBHX-LBPRGKRZSA-N 310.419 2.006 0 40 DEAB O=C(c1cccs1)N1CCN(CCc2ccccn2)CC1 21524470 ROWDDRUFXXWICQ-UHFFFAOYSA-N 301.415 2.144 0 40 DEAB CC(C)c1ccccc1N1C(=N)S[C@@H]2CS(=O)(=O)C[C@@H]21 102776154 NUSNSNZKNWUWEJ-QWHCGFSZSA-N 310.444 2.464 0 40 DEAB O=C(Cn1ncc(-c2ccccc2)nc1=O)Nc1cccc(F)c1 33324522 YVKLSFULLJZMPF-UHFFFAOYSA-N 324.315 2.083 0 40 DEAB O=C(NCc1nc(-c2ccccc2)cs1)c1ccc[nH]c1=O 41649760 RNGLYSAWDKWGPR-UHFFFAOYSA-N 311.366 2.428 0 40 DEAB Cc1cc(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c(C)[nH]1 23391098 OBSKIMQRDSVSJI-QGHHPUGFSA-N 317.389 2.315 0 40 DEAB O=S1(=O)CCN2C(c3ccc(Cl)cc3)=CSC2=N1 3189325 WEBZCQNQMDBNNS-UHFFFAOYSA-N 300.792 2.387 0 40 DEAB COCCO[C@H](C)C(=O)Nc1ccc(Br)c(C)n1 78953861 DVVHLSPEVYLBIF-SECBINFHSA-N 317.183 2.143 0 40 DEAB CN(Cc1nccn1C)C(=O)[C@H]1SCCc2sccc21 79994120 TZCSKBMKPHTUNJ-ZDUSSCGKSA-N 307.444 2.471 0 40 DEAB Cc1c[nH]/c(=N/C(=O)Cc2ccc(OCC(F)(F)F)cc2)[nH]1 97083411 BGSANXXYMCKGHT-UHFFFAOYSA-N 313.279 2.262 0 40 DEAB Cc1cc(C)n2nc(C(=O)OCc3ccc(F)cc3)nc2n1 6057303 YFIYWUJSQRVCMB-UHFFFAOYSA-N 300.293 2.237 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCCS1(=O)=O 97055801 MZELIVVUZRIGHV-UHFFFAOYSA-N 316.382 2.233 0 40 DEAB Cc1cc(C)[n+]2cc(CSc3ncccc3C(=O)O)[nH]c2n1 6404201 SCHSTYMQIAXRAL-UHFFFAOYSA-O 315.378 2.151 0 40 DEAB CCN1C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C(=O)OC)=C1C 7707929 QTAVIPHNWXIBEI-ZDUSSCGKSA-N 310.300 2.498 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]1O2 107264679 GKASCDPQFMDQNE-RCCFBDPRSA-N 323.396 2.310 0 40 DEAB CN(C[C@@H]1CCCC[C@@H]1O)C(=O)NC[C@@H]1Cc2ccccc2O1 97049197 CRPFGXWEVGYYSS-JYJNAYRXSA-N 318.417 2.183 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N(C)c2ccc(O)cc2)cc1 58018023 LCVWBMJMPNIWPH-UHFFFAOYSA-N 305.355 2.420 0 40 DEAB COCCS(=O)(=O)[C@H](C)c1nc(-c2ccccc2C)no1 72915203 HWDJSWTTYAHVJN-LLVKDONJSA-N 310.375 2.167 0 40 DEAB O=C(NC1CCCC1)C12C[C@@H]3C[C@@H](C1)CC(n1ncnn1)(C3)C2 102441722 DUCBMBFDCPZSMX-SCQRFTTHSA-N 315.421 2.027 0 40 DEAB Cc1ccsc1CNCc1c(C)nn(C)c1N1CCOCC1 58394075 FYSIHUHHTYLITR-UHFFFAOYSA-N 320.462 2.225 0 40 DEAB Cc1ccc(S(=O)(=O)NCc2ncc(Cl)n2C)c(C)c1 58331337 FTXBKMVYTOINOP-UHFFFAOYSA-N 313.810 2.169 0 40 DEAB CO[C@@H](C)c1cccc(NC(=O)N[C@@H](C)Cn2cncn2)c1 72281301 KKJOSBIFISFKDX-RYUDHWBXSA-N 303.366 2.196 0 40 DEAB COCc1ccccc1C(=O)NCCNC(=O)CC1CCCC1 60346074 VLJGVBFAJAVVOE-UHFFFAOYSA-N 318.417 2.259 0 40 DEAB Cc1ccccc1CC(=O)N1CCC(c2nnc3n2CCC3)CC1 47288623 CFSPTPNYSUTVBD-UHFFFAOYSA-N 324.428 2.481 0 40 DEAB CC(=O)N1CCC[C@@H]1C(=O)NCCOc1ccc(C(C)C)cc1 48497625 XLMCMTHBQACTSL-QGZVFWFLSA-N 318.417 2.316 0 40 DEAB Cn1ccc2nc3ncnn3c(-c3ccc(Cl)cc3)c2c1=O 38828823 OPRRLWJDORGXAB-UHFFFAOYSA-N 311.732 2.297 0 40 DEAB Cc1ccc(-c2csc3nnc(SCC(N)=O)n23)cc1 4313354 IZADEABGHHLZBE-UHFFFAOYSA-N 304.400 2.344 0 40 DEAB O=C(OCC(=O)N1CCc2sccc2C1)c1ccc(O)cc1 14210933 BLFHYARZIFFTFG-UHFFFAOYSA-N 317.366 2.195 0 40 DEAB O=C(COC(=O)c1cc(Cl)c[nH]1)Nc1ccc2c(c1)OCO2 9477855 UWEVWEIMBGYGLT-UHFFFAOYSA-N 322.704 2.192 0 40 DEAB CC(=O)Nc1ccc2c(COC(=O)[C@@H]3C[C@@H]3C)cc(=O)oc2c1 6946785 BBFVQPHUXGCYDQ-LKFCYVNXSA-N 315.325 2.451 0 40 DEAB CC1CCN(C[C@@H](O)CNc2nccc(C(F)(F)F)n2)CC1 67373331 DMKQGHSBAXOWDE-NSHDSACASA-N 318.343 2.000 0 40 DEAB C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(N2CCCC2=O)cc1 96478050 ALPSXBROMPTHAP-DZGCQCFKSA-N 315.417 2.085 0 40 DEAB CCCCc1nc(CN2CCC[C@@H](N3CCNC3=O)C2)cs1 71841081 JTQZTSXXFKXVIU-CQSZACIVSA-N 322.478 2.475 0 40 DEAB O=C(CCc1cccnc1)NC[C@@]1(O)CCCc2ccccc21 71889216 MMDDTXDPTUFVOU-IBGZPJMESA-N 310.397 2.355 0 40 DEAB Cc1ccc2nc(CN(C)C[C@@H]3CCCCO3)cc(=O)n2c1 71821822 HBDHAGQLFJHLOE-HNNXBMFYSA-N 301.390 2.004 0 40 DEAB CC(C)[C@@H](C(=O)OCc1ccc(Cl)nc1)N1CCCC1=O 71853920 SWIUTZOYMITIIE-AWEZNQCLSA-N 310.781 2.425 0 40 DEAB CC(C)c1noc([C@@H](C)N2CCN(C[C@@H]3CCCO3)CC2)n1 69351076 SOSRZRLZADNLCQ-KGLIPLIRSA-N 308.426 2.051 0 40 DEAB O=C(CSc1nnnn1C1CC1)N1CC[C@H]2CCCC[C@H]2C1 8343920 JTQBPFLAPUNOIC-NEPJUHHUSA-N 321.450 2.139 0 40 DEAB Cn1ccnc1CN1CCN(CCc2ccccc2Cl)CC1 69490469 JGWMEOITUVSNMZ-UHFFFAOYSA-N 318.852 2.434 0 40 DEAB CN(C(=O)c1csc([C@@H]2CCCO2)n1)[C@H](CO)C(C)(C)C 97374778 RYHWGLHSZUGVRB-NWDGAFQWSA-N 312.435 2.474 0 40 DEAB CCCc1noc([C@@H](C)N2CCC[C@H](Cn3cncn3)C2)n1 69662429 LOTZNMKJJLZGON-OLZOCXBDSA-N 304.398 2.087 0 40 DEAB CC(C)(C)C(=O)NCCC(=O)N1CC[C@H](Nc2ccccc2)C1 69776837 QLXAPVGCJHUMOV-HNNXBMFYSA-N 317.433 2.252 0 40 DEAB CC(C)c1cc(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)n[nH]1 69737590 CTPLNDSIZDSRCH-UHFFFAOYSA-N 313.317 2.129 0 40 DEAB C[C@@H]1CO[C@@H](CO)CN1Cc1cc(C(F)(F)F)ccc1F 92042210 QBPXLSRUMKHOHI-BXKDBHETSA-N 307.287 2.426 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 69876557 AQCZNPCGFKLWAI-LBPRGKRZSA-N 314.788 2.008 0 40 DEAB CS(=O)(=O)Nc1ccccc1C(=O)OCc1ccccc1 18263292 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O=C(N[C@@H]1CCC[C@@H]1n1ccnc1)c1cc2ccccc2c(=O)[nH]1 75141850 LXSNSQYZRRMLKK-ZBFHGGJFSA-N 322.368 2.248 0 40 DEAB COc1cc(CC(=O)N2C[C@H](C(N)=O)c3ccccc32)ccc1C 75138440 XKHGSENWJKFLRE-HNNXBMFYSA-N 324.380 2.162 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](c3nncn3C)C2)o1 89652408 NXUVIBMIINYAAE-QWHCGFSZSA-N 317.393 2.367 0 40 DEAB O=C(N1CC[C@H](c2nn[nH]n2)C1)C1(c2ccccc2)CCCC1 1548499861 UGEPJRTVBQALPY-ZDUSSCGKSA-N 311.389 2.028 0 40 DEAB O=C(NCc1ccccc1)c1cccc(CN2CCOCC2)c1 68367967 NGNGQNIEPDSBDD-UHFFFAOYSA-N 310.397 2.449 0 40 DEAB O=S(=O)(Nc1ccccc1)c1cnn(-c2ccccn2)c1 72238949 XUQIEYYECHTQFT-UHFFFAOYSA-N 300.343 2.068 0 40 DEAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CNCCO2)n1 72343422 QEZPEFNCEJAPKX-CQSZACIVSA-N 302.353 2.010 0 40 DEAB NC(=O)CCSCc1nn(-c2ccccc2)c2c1CCC2 78394065 PXJUHMSGNPWSMO-UHFFFAOYSA-N 301.415 2.470 0 40 DEAB Cc1ccsc1[C@H]1N=C(N)Nc2nc(=O)c3ccccc3n21 39921220 LXPXRGHYGXPYPW-LBPRGKRZSA-N 311.370 2.054 0 40 DEAB COc1ccc2[nH]cc(CC3C(=O)OC(C)(C)OC3=O)c2c1 39270923 NXZSXFYPRMPTCP-UHFFFAOYSA-N 303.314 2.171 0 40 DEAB COc1cccc(C(=O)NCCN2CCCCCC2)c1OC 71884764 TYTSTUOADAYMAE-UHFFFAOYSA-N 306.406 2.310 0 40 DEAB O=S(=O)(c1ccccc1N1CCC[C@@H](CO)C1)C(F)(F)F 40433454 JZYKRQYWIHZBHI-SNVBAGLBSA-N 323.336 2.189 0 40 DEAB CC[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1Cl 44885864 RXSMACWZJRRNEF-MRVPVSSYSA-N 304.799 2.240 0 40 DEAB COc1cc([C@@H](C)NC(=O)N2CC[C@@H](CN(C)C)C2)ccc1F 130497855 PNAXYKMLWPGBTD-OLZOCXBDSA-N 323.412 2.488 0 40 DEAB COCCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 41095560 AKBREQLSRNAAJM-UHFFFAOYSA-N 309.387 2.163 0 40 DEAB C[C@H](NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12)[C@@H]1C[C@@H]2CC[C@@H]1C2 195537519 LLUWSSBRQOQBJF-UFZBQXAWSA-N 322.474 2.381 0 40 DEAB COc1cccc(CN[C@H]2CCCn3nc(C(C)C)nc32)n1 191308332 VTKDGQWJWKLKBS-ZDUSSCGKSA-N 301.394 2.430 0 40 DEAB COc1cccnc1NC(=S)NCCCN1CCCCC1 225411712 VKLHDWUUNBYFSS-UHFFFAOYSA-N 308.451 2.253 0 40 DEAB COc1ccc2ncc(=O)n(Cc3nnc(C4CC4)s3)c2c1 574031163 QSPUPFRLWVGVCA-UHFFFAOYSA-N 314.370 2.182 0 40 DEAB Cc1ccc2c(c1)nc1n2[C@@H](CNC2CCN(C)CC2)COC1 96112809 DTJWQRRELSQDPD-HNNXBMFYSA-N 314.433 2.100 0 40 DEAB biogenic,in-vitro O[C@@H]1C[C@H](CN[C@@H]2CCCSC2)N(Cc2ccccc2)C1 97370852 WJPJSWDUIBNVOU-BRWVUGGUSA-N 306.475 2.107 0 40 DEAB O=C(N1CCCC1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107491 PGTSKMMTADECBN-RDJZCZTQSA-N 308.422 2.252 0 40 DEAB Cc1cc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)no1 96207167 FEGIVMNMJVHDSN-HNNXBMFYSA-N 316.405 2.238 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1ccc(C(F)(F)F)cn1)C2 97198432 MHCLXQSDUHHVHF-LLVKDONJSA-N 324.306 2.350 0 40 DEAB CC/C(=C\C(=O)NC[C@H]1CN(C)CCN1C)c1ccc(C)cc1 96423701 QTEXULQPKWLZIW-QIPRVMPFSA-N 315.461 2.150 0 40 DEAB C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cccc2ncccc12 96485338 SACFVUHOKVSSNX-IUODEOHRSA-N 320.414 2.159 0 40 DEAB Cn1nnc2c1CCN(CC1CC1)[C@@H]2COCc1ccccc1 96060539 KJHIEUXAROPJKK-QGZVFWFLSA-N 312.417 2.341 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 245289759 DYHZATBWTNKHSU-WHOFXGATSA-N 323.824 2.395 0 40 DEAB 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Cc1cc2ccccc2n2c(=O)n(CC(=O)NC3CCCC3)nc12 12182070 OYTRIZIOTNAPOJ-UHFFFAOYSA-N 324.384 2.016 0 40 DEAB O=C(C1CCCC1)N1CC[C@@H](NC2CCC3(CC2)OCCO3)C1 156380262 ALLMINHCPQTKDB-MRXNPFEDSA-N 322.449 2.053 0 40 DEAB CCS(=O)(=O)N1CCCc2cc(NC(=O)C(C)C)ccc21 17316337 HMUFCWLKOWDDQV-UHFFFAOYSA-N 310.419 2.383 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 100526959 JXQDQHGVZVJLIP-NZBPQXDJSA-N 311.337 2.175 0 40 DEAB O=C(Cc1csc(Cc2ccccc2)n1)NC[C@H]1CCOC1 41365790 IOENIEHOKMCYHX-CQSZACIVSA-N 316.426 2.429 0 40 DEAB C[C@@H](NC(=O)CSc1cccc[n+]1[O-])[C@H]1C[C@H]2CC[C@H]1C2 103491728 MPERLDYOKXSCRP-ZOBORPQBSA-N 306.431 2.353 0 40 DEAB Cc1cnc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)cn1 25461172 ZBVVGXFATYEMTF-UHFFFAOYSA-N 324.428 2.352 0 40 DEAB COCCn1ccc2c(C(=O)NC[C@@H]3CCCO3)cccc21 79486928 JPXNWKLNUQLMJC-ZDUSSCGKSA-N 302.374 2.197 0 40 DEAB COC(=O)[C@H]1c2ccccc2-c2ccc(N3C(=O)C=CC3=O)cc21 2045784 YLMAKXDPIPSVTO-SFHVURJKSA-N 319.316 2.401 0 40 DEAB CCc1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 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24256615 KLGGIDXUERHUCD-UHFFFAOYSA-N 319.382 2.294 0 40 DEAB CN(C)c1cc(C(F)(F)F)nc(N[C@H]2C[C@H]3CC[C@H]2O3)n1 108104829 MHHSNGFDVNPHGS-HRDYMLBCSA-N 302.300 2.293 0 40 DEAB O=C(NC[C@@H]1CCOC1)Nc1ccc(OCC(F)(F)F)nc1 48201462 JBYAMWNMLKEGTQ-VIFPVBQESA-N 319.283 2.181 0 40 DEAB Cn1cccc1[C@H]1CCCN1C(=O)NCc1nnc2ccccn12 44892329 UFUYWKREOMTQKI-CQSZACIVSA-N 324.388 2.115 0 40 DEAB CNC(=O)[C@H]1Cc2ccccc2CN1CCc1cccs1 58209996 JUVWHXJZTOXPJY-MRXNPFEDSA-N 300.427 2.464 0 40 DEAB O=C(c1cccs1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101404400 BQRGRFVNKPCPFP-VXGBXAGGSA-N 300.383 2.169 0 40 DEAB CCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1 12790056 BHZHXRBFJICBHL-CMDGGOBGSA-N 300.402 2.465 0 40 DEAB Cc1cc(N)nc(SCCC(=O)NCCc2ccccc2)n1 58329332 WYMPAAXFHCXNML-UHFFFAOYSA-N 316.430 2.208 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)NCCC2=CCCCC2)c1 21003096 CCAJZGMERVMCNZ-UHFFFAOYSA-N 322.430 2.215 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCOCC(F)(F)F)c1 71869780 UGUXNXGNGNDXGY-LBPRGKRZSA-N 319.327 2.152 0 40 DEAB Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](C(=O)O)C2)cn1 95424179 CZBLTSRURKTCKN-ZDUSSCGKSA-N 313.357 2.118 0 40 DEAB C[C@@H](NC(=O)N1CCN(c2ccncc2)CC1)c1ccco1 48353589 TWQDNCHWCYLEPJ-CYBMUJFWSA-N 300.362 2.267 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@H]2c2cccs2)C1 48368875 AQFBZPPUNHZXDO-RYUDHWBXSA-N 307.419 2.202 0 40 DEAB COc1ccc(-n2n[o+]c(O)c2I)cc1 59128114 RJWUVFKPJIVNHN-UHFFFAOYSA-O 319.078 2.065 0 40 DEAB O=S(=O)(NCCNc1ccccc1)c1cncc(Cl)c1 95437337 JJPOCSDZFSEIIC-UHFFFAOYSA-N 311.794 2.125 0 40 DEAB CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccco2)n2ncnc2N1 10157105 UYISXAJVTCATDH-CQSZACIVSA-N 313.361 2.173 0 40 DEAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)[C@H]1CCCO1 29958953 GGGHVBMEXYACRP-SWLSCSKDSA-N 302.374 2.111 0 40 DEAB Cc1noc(C)c1C(=O)OCC(=O)NCCCc1ccccc1 2639406 JMXRWKPJMJPGHL-UHFFFAOYSA-N 316.357 2.197 0 40 DEAB CCCc1nc(C)c(C(=O)NCCNc2ncccn2)s1 47105513 JEQYHBXXXBIQDW-UHFFFAOYSA-N 305.407 2.036 0 40 DEAB Cc1nc2ccccc2nc1SCC(=O)NC[C@@H]1CCCO1 12900824 LNAPVRGZWLNFPB-LBPRGKRZSA-N 317.414 2.326 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H](CO)c2ccccc2)c(C)s1 63001019 HFORUPRLUZEQJM-ZDUSSCGKSA-N 311.428 2.377 0 40 DEAB CCN(CC)CCNC(=O)c1ccn(-c2cccc(F)c2)n1 65407658 IPHODZDQAQZNPG-UHFFFAOYSA-N 304.369 2.083 0 40 DEAB COc1ccc(NC(=O)c2c(OC)ncnc2OC)cc1Cl 65565184 YPOCWLJEYOWRRK-UHFFFAOYSA-N 323.736 2.408 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc(O)cc2)no1 65512839 QWHUESJIYJZDPS-CQSZACIVSA-N 301.346 2.464 0 40 DEAB O=C(CSc1nccc(O)n1)NCc1ccccc1Cl 4863518 JUGGBNHWLRIXAV-UHFFFAOYSA-N 309.778 2.244 0 40 DEAB COc1ccc(OC)c(C(=O)Nc2ccc(C(N)=O)cc2)c1 7473631 UIVOPDFLAKLGIZ-UHFFFAOYSA-N 300.314 2.055 0 40 DEAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)N(C)C 7799721 YAXMVEYDXJWZTR-SNVBAGLBSA-N 317.418 2.244 0 40 DEAB COc1ccc(CNC(=O)CCc2cccnc2)cc1OC 8134292 ZWPMLAYLBRCOJP-UHFFFAOYSA-N 300.358 2.348 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2n[nH]c3ccccc23)c1 70006074 BTBISCYBYOGSIL-CYBMUJFWSA-N 309.373 2.373 0 40 DEAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCOC1 96454423 QFDRAEDWYGEULB-NXHRZFHOSA-N 316.445 2.440 0 40 DEAB 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Cc1nc(CN2CCN(C(=O)CC[C@@H]3CCCO3)CC2)cs1 42361328 MFZXSIQEHBSJCK-HNNXBMFYSA-N 323.462 2.055 0 40 DEAB Cc1cc(N2CCN(c3ncnc4ccsc34)CC2)ncn1 301447051 VYAJJOMXQMZVGM-UHFFFAOYSA-N 312.402 2.116 0 40 DEAB COc1cnc(OC2CCN(Cc3c(C)noc3C)CC2)nc1 1207140108 MAUNRIWDERVAHV-UHFFFAOYSA-N 318.377 2.133 0 40 DEAB O=C(c1ccc(Br)o1)N1CC(Cn2ccnc2)C1 1889128223 IUZLWRUOYJJGMR-UHFFFAOYSA-N 310.151 2.011 0 40 DEAB Brc1cccn2nc(I)nc12 147469196 UKJWOMUZJJYPQH-UHFFFAOYSA-N 323.919 2.096 0 40 DEAB O=C(Cn1cncn1)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 19373836 XCQUAXRYBXKOCY-LAQRGFTBSA-N 310.401 2.367 0 40 DEAB Cc1n[nH]c(O)c1[C@H](c1ccccc1O)c1c(O)n[nH]c1C 19597656 IKPFUFQFDMDTPL-UHFFFAOYSA-N 300.318 2.047 0 40 DEAB Cc1nnc(SCc2ccc(C(C)(C)C)cc2)n(N)c1=O 148911 XEKIUJXMRROKKU-UHFFFAOYSA-N 304.419 2.250 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCCN(C(=O)c2ccoc2)C1 327709 GZVCUBGNKJYERE-LBPRGKRZSA-N 302.330 2.041 0 40 DEAB OC[C@@H]1CCCN(C[C@H](O)c2ccccc2Br)C1 110692298 CBTQEXUQLSGJHV-RISCZKNCSA-N 314.223 2.187 0 40 DEAB O=C(Nc1cccs1)N1CCN(c2nccs2)C(=O)C1 1565523451 PIDOKTFIGMFAGL-UHFFFAOYSA-N 308.388 2.085 0 40 DEAB Cc1cccc2nc(CSC(=S)N3CCOCC3)cn12 4137146 VBOCABSPCGFXFE-UHFFFAOYSA-N 307.444 2.493 0 40 DEAB C[C@H](NC(=O)c1cc2cccnc2n(C)c1=O)c1ccccc1 5303549 YFFJSHVMCHSONX-LBPRGKRZSA-N 307.353 2.425 0 40 DEAB Cn1c(=O)c(C(=O)N2CCc3ccccc32)cc2cccnc21 5303588 UUQNUVUCZJVVSI-UHFFFAOYSA-N 305.337 2.136 0 40 DEAB O=C(c1csc(-c2ccccc2)n1)N1CC(n2nccn2)C1 1775975455 HLEISUOXQPLPGG-UHFFFAOYSA-N 311.370 2.099 0 40 DEAB O=C1CN(C(=O)c2ccc3nsnc3c2)c2ccccc2N1 36709562 CFTBGYLCIDTZDG-UHFFFAOYSA-N 310.338 2.290 0 40 DEAB CCCCS(=O)(=O)NCC1CCN(c2ccccn2)CC1 43955056 IZPXMOIKFBMLHQ-UHFFFAOYSA-N 311.451 2.018 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCC[C@H](CCO)c1ccsc1 575619928 GZZBTYKXTWALRN-CYBMUJFWSA-N 321.446 2.385 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCc1ccccc1Cl 585149562 GZWPSWDTJHEMNS-DGCLKSJQSA-N 308.809 2.365 0 40 DEAB CCOCC(=O)NCc1ccc([C@H](O)c2ccccc2)s1 207968713 OWNLJYHQBOJJKL-MRXNPFEDSA-N 305.399 2.483 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1 31299924 WYZBOUGXWLPZLT-MRXNPFEDSA-N 320.339 2.494 0 40 DEAB CNC(=O)[C@H](NC(=O)Nc1ccc(OC)cc1)c1ccccc1 40555925 PZEGLUSCIMASPL-OAHLLOKOSA-N 313.357 2.304 0 40 DEAB C[C@H](NC(=O)Nc1cccnc1)c1ccc2c(c1)NC(=O)CO2 40505515 RNLGTPWSOSOVLT-JTQLQIEISA-N 312.329 2.295 0 40 DEAB Cc1ccc(OCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 41122159 XVQWXIHXQXNMGH-CQSZACIVSA-N 315.373 2.471 0 40 DEAB COc1ncccc1C(=O)NC[C@H](C)N1CCc2ccccc21 32817328 KNMHKWYWMDVEDI-ZDUSSCGKSA-N 311.385 2.271 0 40 DEAB O=C(NCC(F)(F)F)c1cccc(NC(=O)[C@@H]2CCCO2)c1 32883602 JTXCJZZUELLMMC-NSHDSACASA-N 316.279 2.096 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)/C=C/c1cnn(-c2ccccc2)c1 32913241 QZYDPKSULNNPEJ-XVJNWHFHSA-N 321.384 2.287 0 40 DEAB CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)NC(=O)N1 494426 QEFYXVNUAJAAAA-AWEZNQCLSA-N 304.346 2.219 0 40 DEAB O=C(NCc1nc(-c2ccccc2)cs1)c1cc[n+]([O-])cc1 52820534 RCJBWVIWKSZCDI-UHFFFAOYSA-N 311.366 2.374 0 40 DEAB CCc1ccsc1C(=O)NCCC(=O)Nc1ccccn1 53808996 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CCc1ccc([C@H](COC)NC(=O)c2ccnc(N(C)C)c2)o1 96423240 APSYBPQVOLDDBY-AWEZNQCLSA-N 317.389 2.421 0 40 DEAB COc1ccc(OC)c(N[C@@H](C)C(=O)Nc2nnc(C)s2)c1 7463919 ZUUSNONOBZGVJI-QMMMGPOBSA-N 322.390 2.303 0 40 DEAB CN(C)c1nc(N)nc(COc2ccc(Cl)c(Cl)c2)n1 16338259 PWOHGWNANRCXFV-UHFFFAOYSA-N 314.176 2.406 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)c3cnn(C)c3C3CC3)C2)c1 69418517 OGYWNYHNEWNKKG-AWEZNQCLSA-N 313.405 2.280 0 40 DEAB Cc1ccc(-c2nc(CN[C@@H]3CCc4ncnn4C3)cs2)o1 69661376 DBASTVLJDFGACK-LLVKDONJSA-N 315.402 2.408 0 40 DEAB CCc1ccc(OCC(=O)Nc2cccnc2-n2cncn2)cc1 69769382 IBYQUQBPCRURGP-UHFFFAOYSA-N 323.356 2.242 0 40 DEAB C[C@@H](O)[C@H]1CCCCN1CC(=O)N(C)Cc1ccc(F)cc1 69814766 OEBBOPMILCDQHA-CZUORRHYSA-N 308.397 2.019 0 40 DEAB O=C([C@H]1CCOC1)N(CCO)Cc1ccc(Cl)c(Cl)c1 95982127 KCMQZOCNJRYSKT-NSHDSACASA-N 318.200 2.351 0 40 DEAB CCc1nc(CNC(=O)N[C@H](CO)c2ccccc2)cs1 97048188 SSQAKOBIINHTIE-CYBMUJFWSA-N 305.403 2.238 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2csc(COC)n2)no1 72299640 MFTHWWMNHOAILT-SNVBAGLBSA-N 322.390 2.212 0 40 DEAB COc1ccc(CCNC(=O)Nc2c(C)n[nH]c2C)cc1OC 72235981 PTALUTBUKILNSZ-UHFFFAOYSA-N 318.377 2.408 0 40 DEAB C[C@@H](C(=O)NC[C@@H](C)Nc1ccccc1)N1CCSCC1 95978938 ZXMXJOFNDAWYDD-KGLIPLIRSA-N 307.463 2.041 0 40 DEAB CCCCN1CCCC[C@H]1CNC(=O)N(C)C1CCOCC1 74878963 REEDHUADXSGQCM-INIZCTEOSA-N 311.470 2.461 0 40 DEAB Cn1c(S)nnc1CC(=O)Nc1ccc(F)c(Cl)c1 9928080 HUHDRGPPSFOESX-UHFFFAOYSA-N 300.746 2.078 0 40 DEAB COc1ccccc1[C@@H](C)CNC(=O)c1c(C)nn(C)c1OC 89512466 WBLQDBIOSJGIBZ-NSHDSACASA-N 317.389 2.279 0 40 DEAB CCOC[C@@H](C)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75123636 PAADRQIDTNFEIB-GFCCVEGCSA-N 300.358 2.197 0 40 DEAB CCOC(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1 60878395 IXOBVYSVXBGXKB-UHFFFAOYSA-N 308.353 2.059 0 40 DEAB O=C(NCC1CCS(=O)(=O)CC1)Nc1ccc2c(c1)CCC2 89807623 BJVMTJCVHLHPDA-UHFFFAOYSA-N 322.430 2.122 0 40 DEAB CCOc1cc2c(cc1/C=C1\SC(=O)N(C)C1=O)OCO2 409107345 QZWKUSPREYSGRZ-XGICHPGQSA-N 307.327 2.480 0 40 DEAB Cc1noc([C@@H]2CCN(C(=O)Nc3cnn(C(C)C)c3)C2)n1 551935762 OIHUCVICYHDWMG-LLVKDONJSA-N 304.354 2.177 0 40 DEAB CO[C@@H]1CCC[C@H](CC(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530080712 UDKOVJFBHVWGGG-GZBFAFLISA-N 319.405 2.441 0 40 DEAB CCN(CC)CCNS(=O)(=O)c1cccc(CSC)c1 72240363 AIIRMUSLMGNRPW-UHFFFAOYSA-N 316.492 2.170 0 40 DEAB CC(=O)Nc1ccc(CNc2nnc([C@@H]3CCCO3)o2)cc1 181799811 LXHMARXPGUJSKQ-ZDUSSCGKSA-N 302.334 2.492 0 40 DEAB C[C@H]1CN=C(N2CCN(C(=O)c3ccc(Cl)o3)CC2)S1 73119468 GQTKAHBLQJRBKI-VIFPVBQESA-N 313.810 2.182 0 40 DEAB O=C(c1cccs1)N1CCn2c(nnc2C(F)(F)F)C1 77898173 BRYZUVJBAVVCGD-UHFFFAOYSA-N 302.281 2.014 0 40 DEAB CN(C)c1nccc([C@@H]2CCCCN2Cc2cnn(C)c2)n1 72385835 FIZHYBXQZQGLDM-HNNXBMFYSA-N 300.410 2.003 0 40 DEAB CCCN1CCC[C@@H]1C(=O)NCc1ccc(-n2cccn2)cc1 79333640 DPAUFECJLXPKHH-QGZVFWFLSA-N 312.417 2.363 0 40 DEAB CCNC(=O)C1(NCc2ccsc2C(=O)OC)CCCCC1 88538350 SFZHQMKVWOWHHL-UHFFFAOYSA-N 324.446 2.463 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 223017784 VAPBPPVLYFEMRV-GJZGRUSLSA-N 316.430 2.039 0 40 DEAB CN(C)C[C@H]1CCN(C(=O)N[C@@H]2CCc3c(F)cccc32)C1 195570366 ZXNGAGFPNCGSPP-MLGOLLRUSA-N 305.397 2.406 0 40 DEAB CCN(CCNS(=O)(=O)c1cc2ccccc2o1)C1CC1 84937507 XLEUEJPNWKULGA-UHFFFAOYSA-N 308.403 2.195 0 40 DEAB O=C(OCC[C@H]1CCCCO1)c1ccc(-n2ccnc2)nc1 195576429 MHEFXMVWRKMBKU-CQSZACIVSA-N 301.346 2.383 0 40 DEAB C[C@@H](c1nnnn1C)N1CC(OCc2cccc3ccccc23)C1 225547192 VECZMEIXYAMIGG-ZDUSSCGKSA-N 323.400 2.325 0 40 DEAB CCN(C)C(=O)CNC(=O)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 225627607 NQAVYZUBWIAPKZ-SNVBAGLBSA-N 323.359 2.085 0 40 DEAB CCN1CCC2(C=C(C(=O)NCCOC)c3ccccc32)CC1 96241609 ZSNDDIDPKKYPGL-UHFFFAOYSA-N 314.429 2.200 0 40 DEAB Cc1cc(C)c(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)c(C)c1 96420330 VLGUJDBFYHPNTN-CABCVRRESA-N 318.417 2.218 0 40 DEAB O=C(NCC[S@](=O)Cc1ccccc1)N[C@@H]1C=CCCC1 96462963 NLHPZBGKLSKDTN-QVKFZJNVSA-N 306.431 2.343 0 40 DEAB Cc1nc([C@@H]2C[C@@H]3CCN(C(=O)C4CCCC4)C[C@H]3O2)no1 96046416 OXBTYKGOHCKCFV-MELADBBJSA-N 305.378 2.247 0 40 DEAB CN(Cc1cc[nH]n1)C(=O)c1cn(C)nc1C1CCCCC1 331543087 OJSNHSVSJSLJAQ-UHFFFAOYSA-N 301.394 2.463 0 40 DEAB C[C@@H](C1CCCCC1)N(C)C(=O)CCC(=O)N1CCC(O)CC1 330033196 XETMSKWSPGKCAI-AWEZNQCLSA-N 324.465 2.177 0 40 DEAB CCn1cc2c(n1)CN(Cc1csc(C)n1)C[C@H]2COC 96068684 IVOOFHBJGASISH-LBPRGKRZSA-N 306.435 2.414 0 40 DEAB COCc1ncn2c1CN(C(=O)Nc1ccc(OC)cc1)CC2 96085142 OTLQAMYPXHKBQZ-UHFFFAOYSA-N 316.361 2.086 0 40 DEAB Cc1ccc(N2C[C@H](C)[C@]3(CCN(c4cccnc4)C3=O)C2)nn1 96201743 RYZQPGOWMUHQMM-UGSOOPFHSA-N 323.400 2.059 0 40 DEAB C[C@](Br)([C@@H](O)c1ccccc1F)S(C)(=O)=O 96521268 STONOBAPVSAMKJ-VHSXEESVSA-N 311.172 2.015 0 40 DEAB CO[C@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1Cc1ccccc1 96110514 IBTXIHOPCZSJSI-RDJZCZTQSA-N 313.401 2.140 0 40 DEAB FC(F)(F)c1cccc(N2CC[C@H](CN3CCOCC3)C2)n1 96429715 RRZBTZCMHVSIPP-GFCCVEGCSA-N 315.339 2.259 0 40 DEAB c1ccc(CN2Cc3[nH]nc(COc4cccnc4)c3C2)nc1 96260226 POYTXSIVVMEPKY-UHFFFAOYSA-N 307.357 2.295 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3cc(C(C)C)no3)CCO2)n1 257321799 WDHMXOFHUULMCB-CYBMUJFWSA-N 304.350 2.043 0 40 DEAB CN1CCCN(Cc2cnc([C@]3(C)CCCCO3)nc2)CC1 257314489 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Cc1ccc(OC(=O)CCCN2C(=O)NC(C)(C)C2=O)c(C)c1 95377709 MLGBECNREBDXJO-UHFFFAOYSA-N 318.373 2.319 0 40 DEAB CSc1ccccc1NC(=O)CN(C)c1ncc(F)cn1 97021852 XZOGJQZZFVPIAC-UHFFFAOYSA-N 306.366 2.413 0 40 DEAB O[C@H]1CCCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)C1 13268321 WHVNLSVCBURTEL-ZDUSSCGKSA-N 323.356 2.155 0 40 DEAB COc1ccc(S(=O)(=O)Oc2ccccc2OC)cc1OC 16090388 GTBIAEJIPNFBMH-UHFFFAOYSA-N 324.354 2.480 0 40 DEAB CN1CCN(C[C@H](O)COC2CCC(C(C)(C)C)CC2)CC1 19363957 PUZORSIIYMWEKZ-CGZBRXJRSA-N 312.498 2.216 0 40 DEAB N[C@@H](Cc1cc(=O)[nH]c(-c2ccccn2)n1)c1ccc(F)cc1 19402918 UGALPEZPBKJABS-AWEZNQCLSA-N 310.332 2.214 0 40 DEAB C[C@H](NC(=O)C(C)(C)C)c1cc(=O)[nH]c(-c2cccnc2)n1 19458425 LSHIFDNBHFMQHZ-JTQLQIEISA-N 300.362 2.055 0 40 DEAB Cc1conc1NC(=O)C(=O)N(Cc1ccco1)C1CCCC1 163487816 ZFHIIMNNMRQGTJ-UHFFFAOYSA-N 317.345 2.486 0 40 DEAB CN1CC[C@@H](N2CCC(COc3ccncc3Cl)CC2)C1=O 1848575647 RKKJCYHMPLNQCX-CQSZACIVSA-N 323.824 2.057 0 40 DEAB COC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 11106058 ISWXJTPQJYZJIE-VIFPVBQESA-N 304.371 2.385 0 40 DEAB O=C(N[C@H]1CCn2nccc2C1)c1ccccc1Br 240067744 SAMJVNGBRKKTIG-JTQLQIEISA-N 320.190 2.390 0 40 DEAB CCOc1ccc(N(C(=O)CC)[C@H]2C=CS(=O)(=O)C2)cc1 4165353 KHTUQDHTAKEVSM-ZDUSSCGKSA-N 309.387 2.139 0 40 DEAB CC(=O)Nc1ccc(NC[C@H](O)COc2ccccc2)cc1 492909 YBQXRFJTOYFDFN-INIZCTEOSA-N 300.358 2.497 0 40 DEAB O=C(C[C@H]1C=CCC1)NC[C@H]1CN(Cc2ccccc2)CCO1 40472983 BMNZIIGZYXDKGC-WMZOPIPTSA-N 314.429 2.360 0 40 DEAB CN(C)/C(CN1CCCCC1)=C1\N=C(c2ccccc2)OC1=O 20445558 DNXNAWZHLDVLQP-NXVVXOECSA-N 313.401 2.249 0 40 DEAB CNc1ccc(NC(=O)NCc2ccc3c(c2)OCCO3)cn1 40549336 JSIIYIRTVCDKBQ-UHFFFAOYSA-N 314.345 2.216 0 40 DEAB O=C(NCCc1ccccn1)[C@@H]1Cc2cc(Cl)ccc2O1 32657101 QURWPSCUBNJWLX-HNNXBMFYSA-N 302.761 2.397 0 40 DEAB CONC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C 32848406 ZQIVBTQJTYTUJD-CQSZACIVSA-N 306.406 2.416 0 40 DEAB O=C1CCc2cc(OCC(=O)NC3CCCCC3)ccc2N1 32901968 ZJUDVASLIWQOKN-UHFFFAOYSA-N 302.374 2.399 0 40 DEAB NC(=O)C1CCN(C(=S)c2ccc(N3CCCC3)cc2)CC1 574762 CHBWBHPDBPHUCY-UHFFFAOYSA-N 317.458 2.160 0 40 DEAB COC(=O)Cn1cnc2c(-c3ccccc3)csc2c1=O 23126372 SGIQCQJCVPKZHC-UHFFFAOYSA-N 300.339 2.298 0 40 DEAB COc1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1C 61775663 MBKWEWSTWLARTB-UHFFFAOYSA-N 313.348 2.418 0 40 DEAB CSc1nnc(-c2ccncc2)n1CCCN1CCCC1=O 1332904 CRUNPWXFKODHPD-UHFFFAOYSA-N 317.418 2.075 0 40 DEAB c1cn(Cc2ccc(CNc3ncnc4[nH]cnc34)cc2)cn1 79047542 XTHZODSLCGIIJP-UHFFFAOYSA-N 305.345 2.210 0 40 DEAB COc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(N)cc1 1686963 QDQVFBAFBYLREV-UHFFFAOYSA-N 318.398 2.419 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(OC)c1 4164267 IWHIYJSPCDXHFO-MMDVMMEASA-N 319.357 2.389 0 40 DEAB NC(=O)Nc1ccc(CCn2cc(Br)cn2)cc1 84398130 GZVXPCZOCXXXID-UHFFFAOYSA-N 309.167 2.379 0 40 DEAB O=C(CSc1ncn(-c2ccccc2)n1)N1CCCCC1 59049274 MRGDCESDJZQDRX-UHFFFAOYSA-N 302.403 2.372 0 40 DEAB Cc1cc(C)cc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)c1 12602770 QSNKDKVPVAQJQS-UHFFFAOYSA-N 317.389 2.353 0 40 DEAB COc1cccc2sc(NC(=O)N3CCC(O)CC3)nc12 43579052 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95979437 HOZXDCHJZBKIKT-UHFFFAOYSA-N 305.403 2.078 0 40 DEAB Cc1c(C(=O)NCc2ccc(N3CCCCC3)nc2)cnn1C 48372458 UYLNWFJIENMERE-UHFFFAOYSA-N 313.405 2.044 0 40 DEAB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(N)=O 95998844 OAXYBPFXYAXGBN-CQSZACIVSA-N 318.352 2.080 0 40 DEAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1nnc2n1CCCCC2 45897500 UABMUWGOTIDANR-NSHDSACASA-N 317.393 2.029 0 40 DEAB NC(=O)C1CCN(C(=O)/C=C/c2ccc(F)c(Cl)c2)CC1 45973007 MFIQXFAHHGXNEC-DUXPYHPUSA-N 310.756 2.216 0 40 DEAB CCCS(=O)(=O)[C@H](C)C(=O)NCc1ccccc1Cl 46139109 VUARANPVOVUWMI-SNVBAGLBSA-N 303.811 2.170 0 40 DEAB Cn1nnnc1SCc1cn2cc(Cl)cc(Cl)c2n1 60333902 YIBMNXYOECQOPC-UHFFFAOYSA-N 315.189 2.457 0 40 DEAB C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@@H]1c1ccsc1 46481579 PNOANPDKYXCNFW-UKRRQHHQSA-N 323.462 2.315 0 40 DEAB COc1ccc2ccccc2c1CN[C@H]1CCS(=O)(=O)C1 37116661 SFAIIWLYTVQTCB-ZDUSSCGKSA-N 305.399 2.125 0 40 DEAB COCCOc1ccc(NC(=O)N2CCC[C@H]2C[C@H](C)O)cc1 84637167 DCLUJUSTKAQOBT-ZFWWWQNUSA-N 322.405 2.479 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)Cc1coc2cc(C)ccc12 14117444 WOVQTNIYRZIVQX-LBPRGKRZSA-N 302.374 2.315 0 40 DEAB COc1cc(Cl)c(C)cc1NCC(=O)NC(=O)NC(C)C 9337896 RGKOBJYPAIVYQE-UHFFFAOYSA-N 313.785 2.303 0 40 DEAB COc1c(C)cnc(CN2CCN(C[C@H]3CCCO3)CC2)c1C 67226555 RUCZHZYFLDDGMK-MRXNPFEDSA-N 319.449 2.004 0 40 DEAB C/C(=C\C(=O)N(C)CC(=O)N1CCCC1)c1ccc(F)cc1 96313737 YMNRYUSBMAAHPY-ACCUITESSA-N 304.365 2.310 0 40 DEAB CC(=O)c1ccc(NC(=O)c2ccccc2-n2cnnn2)cc1 7608419 DFOOTXZIPJAQSK-UHFFFAOYSA-N 307.313 2.117 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)C[C@H](O)c1ccc(F)cc1 95954930 VWEUYDIQIKTAQC-AWEZNQCLSA-N 313.350 2.079 0 40 DEAB Cc1cc(-n2c(C)cc(C(=O)OCC(=O)NC(C)C)c2C)no1 16685466 HWXSHTDEDXOOMF-UHFFFAOYSA-N 319.361 2.072 0 40 DEAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2c(C(N)=O)oc3ccccc23)cn1 69159787 PHZCCGHJPDFGRM-VXGBXAGGSA-N 324.340 2.007 0 40 DEAB CC(C)[C@@H]1CCCN1C(=O)Cn1cnc2ccc(F)cc2c1=O 71829972 DBAKLGSVEKWJBG-HNNXBMFYSA-N 317.364 2.183 0 40 DEAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc(C(N)=O)cn2)s1 69327217 SFRUADQJVQATNX-JTQLQIEISA-N 303.387 2.384 0 40 DEAB CC(C)NC(=O)CN(C)C(=O)CCc1nc2ccccc2s1 8353641 AHAQTBYWGYPFKJ-UHFFFAOYSA-N 319.430 2.212 0 40 DEAB O=C1OCCN1CCC(=O)N1CCCC[C@H]1Cc1ccccc1 69418990 UUJHUYKSCVXSBK-INIZCTEOSA-N 316.401 2.453 0 40 DEAB COCc1nc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cs1 71830963 FEEJVNUFVOGDIE-JTQLQIEISA-N 322.390 2.001 0 40 DEAB c1cnn(-c2ccc(CN3CCC[C@H](Cn4cncn4)C3)cc2)c1 69848980 ZOAQJUUMTYNGQP-KRWDZBQOSA-N 322.416 2.376 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2F)cc1O 8744798 LPODLAXVHARSEF-UHFFFAOYSA-N 317.316 2.313 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)[C@@H]1C 8946124 BPBRHVSSCFFXRK-JMSVASOKSA-N 313.401 2.407 0 40 DEAB O=C(NC1CC1)[C@@H]1CCC[C@@H](NCc2cccc3cn[nH]c23)C1 84041424 KWVHIWDGZVOFOK-MLGOLLRUSA-N 312.417 2.490 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c(C)o1 95980313 RNCNNHUDDMAOHE-AWEZNQCLSA-N 303.362 2.450 0 40 DEAB c1ccc(-c2nc(N3CCOCC4(CCOCC4)C3)no2)cc1 97096589 CFXBHGIAJHWSDH-UHFFFAOYSA-N 315.373 2.370 0 40 DEAB CC1([C@H]2CCCN(C[C@H](O)c3ccc(F)cc3)C2)OCCO1 97086580 OIAZTCNNHAWBIV-HOCLYGCPSA-N 309.381 2.334 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)N[C@H]1CCc3nccn3C1)C2 97197631 GZOLKCPZUQFMGS-DZGCQCFKSA-N 313.426 2.340 0 40 DEAB CC1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 97108156 PZNYVGCALSKKJT-OAHLLOKOSA-N 316.405 2.019 0 40 DEAB O=C(CSc1nncn1C1CC1)N1CCc2sccc2C1 9983860 AHLWATNYLXIELL-UHFFFAOYSA-N 320.443 2.352 0 40 DEAB NC(=O)[C@H]1CCCC[C@H]1NC(=O)CCOc1cccc(Cl)c1 75094435 MUBAVJHBGRGKQB-UONOGXRCSA-N 324.808 2.269 0 40 DEAB CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCN(C)C[C@@H]1C 89950265 LHABZFKZYFCPOL-JSGCOSHPSA-N 308.426 2.116 0 40 DEAB O=C(NCCNc1ccc2ccccc2n1)c1n[nH]c2c1CCC2 76083614 IASCIGWEXXYLNF-UHFFFAOYSA-N 321.384 2.289 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 76089291 NQPMPVDFCUENSF-CHWSQXEVSA-N 313.419 2.404 0 40 DEAB O=C(O)c1ccc(-c2ccc([C@H]3NC[C@@H](C(=O)O)S3)o2)cc1 408980748 XBIFKUWZXYWJIJ-STQMWFEESA-N 319.338 2.433 0 40 DEAB Cc1nc(S(=O)(=O)NC(=O)CC2=CCCCC2)sc1C 408491512 AOUWQNJFYAOWFR-UHFFFAOYSA-N 314.432 2.455 0 40 DEAB CCN(CC(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1 79391555 UFTGKKOWKBQGHZ-UHFFFAOYSA-N 320.389 2.194 0 40 DEAB C[C@H](C(=O)N1CCCSCC1)N1CCc2ccccc2C1 78926977 WPHFQNMCVXKVPG-CQSZACIVSA-N 304.459 2.399 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C 567238064 IDEJAKOVJKUGBC-XUXIUFHCSA-N 319.401 2.491 0 40 DEAB COc1nc(C(=O)NO[C@@H]2CCCCO2)cc2ccccc12 72059772 NHJFVXPNLBCMBC-CQSZACIVSA-N 302.330 2.431 0 40 DEAB COc1ccc(-c2cccc(C[C@@H]3NCCN(C)C3=O)c2)cc1 72352743 SLFXJFSXEPLSSJ-SFHVURJKSA-N 310.397 2.335 0 40 DEAB c1ccc(SCCN2CCN(c3cnccn3)CC2)cc1 194038992 TZAAVEMSCIMNCQ-UHFFFAOYSA-N 300.431 2.391 0 40 DEAB CC[C@@H](C)[C@H](C)N(C(=O)NCc1nnc2n1CCC2)C1CC1 81672868 FZDLMVWYPUAGCS-NEPJUHHUSA-N 305.426 2.333 0 40 DEAB O=C(NCc1cccc(Br)c1)c1ccc(=O)[nH]c1 42238986 GONIEFYVVFNGRE-UHFFFAOYSA-N 307.147 2.067 0 40 DEAB COc1ccc(C(=O)N2CCN(C)CC2)cc1COCC(C)C 224452806 RQVXSJHQHUNGQI-UHFFFAOYSA-N 320.433 2.255 0 40 DEAB Cc1nc2c([nH]1)CC[C@H](C(=O)NCCOc1ccc(F)cc1)C2 225516286 HWWKSPMEEXXZBD-LBPRGKRZSA-N 317.364 2.157 0 40 DEAB Cc1ccccc1-c1cc(N[C@H]2CCO[C@H]2C)n(CCO)n1 97231985 JMVVMHJXSRBVOK-ZFWWWQNUSA-N 301.390 2.440 0 40 DEAB Cc1nc(Cl)cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)n1 96182678 YTFZTZLBPOWMQT-UHFFFAOYSA-N 310.829 2.477 0 40 DEAB COCC[C@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247888658 SMVUJALJJLZZEK-HNNXBMFYSA-N 315.373 2.205 0 40 DEAB COCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21 247888660 SMVUJALJJLZZEK-OAHLLOKOSA-N 315.373 2.205 0 40 DEAB Cc1cc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)no1 257284711 PDXRLGAFNNKNPG-CYBMUJFWSA-N 300.362 2.119 0 40 DEAB CO[C@@H]1CCCC[C@@H](N(C)C(=O)/C=C/c2ccccc2)[C@H]1O 257336531 YOWBDBIIHHAXAH-YMHLJSBCSA-N 303.402 2.477 0 40 DEAB Nc1nc([C@H]2CCCN2C2CCOCC2)cc(C(F)(F)F)n1 257310222 UEFUPQOGJFGBJL-LLVKDONJSA-N 316.327 2.394 0 40 DEAB COc1cccc(CC(=O)N2CCC[C@H]3NCCC[C@@]32C)c1 257306146 STCRSVYNVJPOSJ-AEFFLSMTSA-N 302.418 2.371 0 40 DEAB CCc1cccc(OCC(=O)N2CCC[C@H](n3cncn3)C2)c1 72234711 ADDCXWZQMQRJDC-HNNXBMFYSA-N 314.389 2.083 0 40 DEAB CN(C)C/C=C/C(=O)N(C)Cc1nc(C(F)(F)F)cs1 74467035 HPHVSJREHPOHCN-SNAWJCMRSA-N 307.341 2.238 0 40 DEAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@@H]2CC=CCC2)cc1 76306531 DNOROSRNIIPRBQ-CYBMUJFWSA-N 320.414 2.200 0 40 DEAB CC(C)CS(=O)(=O)C1CCN(C(=O)NC2CCCC2)CC1 96374656 MRHLMHNHKJZTDO-UHFFFAOYSA-N 316.467 2.174 0 40 DEAB O=S(=O)(NCc1ccccc1Cl)Oc1ccccc1O 5771927 WJVYYPOJVMQPEY-UHFFFAOYSA-N 313.762 2.459 0 40 DEAB Cc1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)cc1 11699350 MQOSMYWSXNEDAG-UHFFFAOYSA-N 318.398 2.297 0 40 DEAB C[C@H]1CC(=O)c2cnc(NC(=O)COc3ccccc3)nc2C1 13635982 KRILHRBKLQLEGV-LLVKDONJSA-N 311.341 2.259 0 40 DEAB CC(=O)Nc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 16321570 FZKZRTHCADANCP-NEPJUHHUSA-N 302.330 2.251 0 40 DEAB CCc1noc(C)c1C(=O)N1CCN(Cc2ccco2)CC1 16604795 KGWBRJXTAZRHPW-UHFFFAOYSA-N 303.362 2.096 0 40 DEAB CO[C@@H]1COC[C@@H](CNCc2cccc(Cl)c2Cl)[C@@H]1O 643585397 GCVFAHWFVSKVGC-QKCSRTOESA-N 320.216 2.105 0 40 DEAB Cc1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)no1 24596880 YSXXIMYIXYFSCM-UHFFFAOYSA-N 310.313 2.200 0 40 DEAB CNC(=S)N1CCN(c2ncc(Cl)cc2Cl)CC1 24527438 CDKXINOGLYJMAU-UHFFFAOYSA-N 305.234 2.015 0 40 DEAB COc1ccccc1NC(=N)Nc1nc2c(c(=O)[nH]1)CCCC2 9938434 VIPGPDIUCLZZLE-UHFFFAOYSA-N 313.361 2.116 0 40 DEAB O=C(O)c1ccc(C(c2ccc(C(=O)O)cc2)n2cncn2)cc1 1848437450 OMYQMDBEDMTHOJ-UHFFFAOYSA-N 323.308 2.312 0 40 DEAB in-vitro Cc1cnc(NC(=O)NCc2cn(-c3cccs3)nn2)s1 1775971211 KQYXOAFIFQMKSC-UHFFFAOYSA-N 320.403 2.415 0 40 DEAB O=C(NCc1cn(-c2ccsc2)nn1)Nc1nccs1 575617426 AFDCQUAAIHTNDS-UHFFFAOYSA-N 306.376 2.107 0 40 DEAB Cn1c(=O)c2sccc2n(Cc2ccc(Cl)cc2)c1=O 6679712 LQYDTLFQVWROOE-UHFFFAOYSA-N 306.774 2.463 0 40 DEAB C[C@@H](NC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1)C(N)=O 50295337 UMELYLVJQCJWCQ-SSDOTTSWSA-N 303.189 2.261 0 40 DEAB C[C@@H](c1nc(N)nc(N(C)C)n1)N(C)Cc1ccc(Cl)cc1 31005855 HMTGDQSUEXWGMS-JTQLQIEISA-N 320.828 2.366 0 40 DEAB O=C(c1cccc(OCc2cscn2)c1)N1CCOCC1 40474061 DKTUSMVJBXCDAE-UHFFFAOYSA-N 304.371 2.195 0 40 DEAB Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)n[nH]c1=O 32672292 NJZPTXQKEQLCKO-UHFFFAOYSA-N 320.418 2.137 0 40 DEAB CN(C)C(=O)Cc1nc(CSc2nc(C3CC3)n[nH]2)cs1 32832080 CJCCCRMVNUVRMT-UHFFFAOYSA-N 323.447 2.062 0 40 DEAB CC(C)c1nc(CN2CCN(C(=O)c3ccsc3)CC2)no1 53611518 CTAPHUIMVGQLNF-UHFFFAOYSA-N 320.418 2.213 0 40 DEAB Cc1cc([C@@H]2CCCN([C@@H](C)C(=O)Nc3cc(C)on3)C2)n[nH]1 84110810 CFDSCGFUXDPHMX-QWHCGFSZSA-N 317.393 2.221 0 40 DEAB Cn1c(=O)c2ccccc2n2c(CNc3ccc(F)cc3)nnc12 12534548 JTIKLOURJWUKEO-UHFFFAOYSA-N 323.331 2.332 0 40 DEAB COC(=O)C1=C(C)Nc2nnnn2[C@H]1c1ccc2ccccc2c1 4502636 CMZCNUGCRKSQLL-HNNXBMFYSA-N 321.340 2.288 0 40 DEAB O=C(NC1CC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 6433360 NKPAWFLQRNTKOO-UHFFFAOYSA-N 305.337 2.278 0 40 DEAB CC(=O)NC[C@H](c1c(F)cccc1Cl)N1CCO[C@@H](C)C1 106078058 SKTLFCLPCNWMGH-IINYFYTJSA-N 314.788 2.377 0 40 DEAB C[C@]1(C(=O)OCC(=O)NCc2ccccc2)CC1(Cl)Cl 3272970 BJYPCGKCUAFMAF-CYBMUJFWSA-N 316.184 2.430 0 40 DEAB Cc1nc(Cn2c(S(C)(=O)=O)nc3ccccc32)cs1 24953732 PZRLCYAAEQXRBC-UHFFFAOYSA-N 307.400 2.253 0 40 DEAB Cc1ccc(C(=O)CCC(=O)NCCCn2ccnc2)s1 8341233 GISQXTCRQGZIOP-UHFFFAOYSA-N 305.403 2.422 0 40 DEAB Cc1nccc(CNC(=O)N[C@@H]2CCc3c(F)cccc32)n1 56860026 QAGMADYSQJIOGM-OAHLLOKOSA-N 300.337 2.411 0 40 DEAB CN1c2ccc(Cl)cc2-c2nc(S)ncc2S1(=O)=O 57352135 YXAONMGQJRMCQF-UHFFFAOYSA-N 313.791 2.224 0 40 DEAB CCc1n[nH]c([C@@H]2CN(Cc3ccc4c(c3)CCC4)CCO2)n1 95402422 RPTVEQTUUOJGEK-INIZCTEOSA-N 312.417 2.429 0 40 DEAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1ccccn1)C1CC1 58045839 WNDCDBMVSRNYDZ-UHFFFAOYSA-N 319.368 2.467 0 40 DEAB Cc1nc(C)c(CCC(=O)N2c3ccccc3C[C@@H]2C)c(=O)[nH]1 44889936 QZTLUZZBEQYGQC-NSHDSACASA-N 311.385 2.297 0 40 DEAB Cc1cc2n(n1)C[C@@H](CNCc1cnn(-c3ccccc3)c1)CN2 58293125 FYYINQORPZFPPU-HNNXBMFYSA-N 322.416 2.209 0 40 DEAB CC(C)(C)c1noc(CN2CCN(c3nccs3)CC2)n1 44907134 JQNYLLQPQZSIMW-UHFFFAOYSA-N 307.423 2.146 0 40 DEAB O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cnc2ccccc2n1 44978197 PVQFRJMLUJVGRZ-UHFFFAOYSA-N 317.312 2.062 0 40 DEAB CCCCCOC(=O)[C@H]1[C@H]2C=C[C@]3(CN(CCCC)C(=O)[C@H]13)O2 2145908 NHVQBSVEVDLWGA-LDDOYCOJSA-N 321.417 2.302 0 40 DEAB biogenic CC(=O)Nc1ccc(C(=S)NCCCn2ccnc2)cc1 3348976 GXBARWVRQJOHKO-UHFFFAOYSA-N 302.403 2.197 0 40 DEAB CC(C)C(=O)NCCNC(=O)Cc1cccc(C(F)(F)F)c1 12807477 TXTZKVLFBJYOAV-UHFFFAOYSA-N 316.323 2.136 0 40 DEAB CC(C)CN(CC(C)C)C(=O)COc1ccccc1C(N)=O 3484043 WBQFCYPYJXPOKE-UHFFFAOYSA-N 306.406 2.305 0 40 DEAB C[C@@H](NC(=O)CSc1nccn1C)c1ccc2c(c1)OCO2 6370357 FHPLATSJAMLZJO-SNVBAGLBSA-N 319.386 2.118 0 40 DEAB CCOCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 65554064 QILMMVOWUPANJD-UHFFFAOYSA-N 316.854 2.472 0 40 DEAB O=C(NCCCN1CCCC1=O)c1cc2cc(F)ccc2[nH]1 5345418 PFJPOGJOUTYWNH-UHFFFAOYSA-N 303.337 2.049 0 40 DEAB COC[C@H](C)NC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 4504765 BISURCIVNPDBQB-QPUJVOFHSA-N 314.744 2.123 0 40 DEAB COc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cn1 14848284 SPVTXIYYKSQENK-UHFFFAOYSA-N 308.341 2.457 0 40 DEAB O=C(O)C1=C[C@@H](c2ccc(Br)cc2)n2ncnc2N1 4942688 SDMWDXCDYLIQMQ-JTQLQIEISA-N 321.134 2.024 0 40 DEAB CNC(=O)C(=O)Nc1ccc(N(C)C2CCCCC2)c(F)c1 80113481 ZFKNNKFZNBHLSM-UHFFFAOYSA-N 307.369 2.279 0 40 DEAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1F 7124582 MRUOSTNCWQWCNR-UHFFFAOYSA-N 303.289 2.493 0 40 DEAB Cc1ccc(OC[C@@H](O)CN(CCO)Cc2ccccc2)cc1 68048935 ZKERVMUFZVPMRC-SFHVURJKSA-N 315.413 2.229 0 40 DEAB Cc1cc(CNC(=O)[C@@H]2COCCO2)c2[nH]c(C)c(C)c2c1 68560059 NMBUHPBATRPNHE-HNNXBMFYSA-N 302.374 2.125 0 40 DEAB O=C(CCn1cncn1)NCC1(Sc2ccccc2)CC1 68608652 MORBXEAKCZPCJN-UHFFFAOYSA-N 302.403 2.109 0 40 DEAB Cc1nc2ccccc2n1CC(=O)N1CCC[C@@H]1c1cnn(C)c1 71796739 GRAFFNRCUYSHED-MRXNPFEDSA-N 323.400 2.442 0 40 DEAB NC(=O)c1ccccc1OCc1nc(-c2cccs2)no1 7989393 MBWSYDBCFXQCNZ-UHFFFAOYSA-N 301.327 2.476 0 40 DEAB CCn1nnnc1S[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 16461402 JZDNLAZLGSDJCA-SNVBAGLBSA-N 317.418 2.301 0 40 DEAB CN(Cc1ccccc1F)C(=O)CSc1nnc(N)s1 8066693 ZQOAKUGRWRYFPG-UHFFFAOYSA-N 312.395 2.010 0 40 DEAB C[C@H](NCC1(Sc2ccccc2)CCCC1)C(=O)NC(N)=O 68951667 PVECQKMXFWBOCP-LBPRGKRZSA-N 321.446 2.265 0 40 DEAB Nc1nc(S[C@H](C(=O)N2CCCCC2)c2ccccc2)n[nH]1 8292570 SJBSEVFXNWAUPQ-LBPRGKRZSA-N 317.418 2.233 0 40 DEAB CC(=O)Nc1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 9550058 NSVGVXIQWOUZFY-MRXNPFEDSA-N 324.336 2.365 0 40 DEAB CN1CCO[C@H](CNCC2=Cc3cc(Cl)ccc3OC2)C1 69349463 MSZPNONKZSUUMN-OAHLLOKOSA-N 308.809 2.036 0 40 DEAB O=C(Nn1c(S)nc2ccccc2c1=O)c1cccc(F)c1 17053116 BEBHEFWQKQXXFP-UHFFFAOYSA-N 315.329 2.208 0 40 DEAB Cc1ccccc1NC(=O)c1ccc(CN2CCNC(=O)C2)cc1 69416124 XGDPKAWXXRDCCN-UHFFFAOYSA-N 323.396 2.179 0 40 DEAB CONC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 17821913 CDTHQCXUEJDFBW-UHFFFAOYSA-N 320.370 2.087 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)N(C)c3cccnc3)CC2=O)cc1 69772869 DIMJJVBNOXKTCU-INIZCTEOSA-N 323.396 2.402 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1F)C2 69702778 AQTPMWFKTPVWNB-CHWSQXEVSA-N 314.364 2.126 0 40 DEAB CN(CCNC(=O)c1[nH]ncc1Br)c1ccccc1 69776050 ZFBDDCDUPBDOMG-UHFFFAOYSA-N 323.194 2.038 0 40 DEAB COc1ccc(F)cc1CS[C@H](C)C(=O)N1CCNC1=O 69813873 QAJWQSZGGTUNHU-SECBINFHSA-N 312.366 2.008 0 40 DEAB Cn1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cn1 71928186 KXBDRMLYRHVVGG-CQSZACIVSA-N 313.357 2.169 0 40 DEAB Nc1ccc(Br)cc1C(=O)OCC(=O)c1ccc[nH]1 8780492 PVSDLWIWBHBAHD-UHFFFAOYSA-N 323.146 2.399 0 40 DEAB COC(=O)C[C@@H](C)NC(=O)CCC(=O)c1ccc(Cl)cc1 72280801 NZXOGVLZOJRQRZ-SNVBAGLBSA-N 311.765 2.371 0 40 DEAB O=C(NCCO)c1cccnc1SCc1ccc(F)cc1 97365519 YEZNUFIMYXHOGG-UHFFFAOYSA-N 306.362 2.235 0 40 DEAB O=C(O[C@H]1CCOC1=O)c1csc(NCc2ccccc2)n1 84539334 JTMYOSBUFCSZCG-LBPRGKRZSA-N 318.354 2.228 0 40 DEAB CCS(=O)(=O)CCN1CCC[C@H]1CN(C)c1ccccc1 95398566 VSNHBYYRQNEGNP-INIZCTEOSA-N 310.463 2.022 0 40 DEAB CN(C(=O)CCc1cnn(C)c1)c1cc(-c2ccccc2)[nH]n1 95350581 YRFPYCUWTPUXFJ-UHFFFAOYSA-N 309.373 2.406 0 40 DEAB C[C@@H](NC(=O)CS[C@H]1CCc2c(F)cccc21)C(=O)N(C)C 95418074 SIZJUDDJUYVQAD-YGRLFVJLSA-N 324.421 2.139 0 40 DEAB CN(Cc1nnc(C2CC2)n1C)C(=O)[C@H]1C[C@H]1c1ccccc1 73253104 NHIWFIVNQOBFEE-GJZGRUSLSA-N 310.401 2.455 0 40 DEAB CN(C(=O)c1cccc2cc[nH]c12)[C@@H]1CCC[C@H]1S(C)(=O)=O 85295447 JJRLERBISJUSLU-ZIAGYGMSSA-N 320.414 2.206 0 40 DEAB CN(Cc1cnn(C)c1)[C@@H](CO)c1cccc(Br)c1 95980916 YLYLBTKTPUWBTN-AWEZNQCLSA-N 324.222 2.348 0 40 DEAB CCCn1nnnc1CN1CCC[C@@H]1CC(=O)c1ccccc1 95965467 PNRJMAKAILQWAJ-OAHLLOKOSA-N 313.405 2.321 0 40 DEAB CC[C@H](NC(=O)Nc1ccn(CC(F)F)n1)[C@@H]1CCCO1 89942847 LFQVCQJOPBOYQB-UWVGGRQHSA-N 302.325 2.227 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)no1 76043522 WFBXYKHCTCEMHW-ZDUSSCGKSA-N 304.350 2.279 0 40 DEAB CC(C)(CO)NC[C@@H](O)COC1CCC(C(C)(C)C)CC1 26781242 BGUIWPSVDRNGEF-SHARSMKWSA-N 301.471 2.329 0 40 DEAB Cc1ccc(C)c(OCC(=O)Nc2c[nH]nc2[C@H]2CCNC2)c1 1549745608 MLKTUXPUPVDSIX-ZDUSSCGKSA-N 314.389 2.121 0 40 DEAB O=S(=O)(O)CCC[n+]1ccc(/C=C/c2ccc(O)cc2)cc1 34006965 HRMOJBYGFJIEDK-UHFFFAOYSA-O 320.390 2.128 0 40 DEAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)[C@@H]1COCCO1 71078741 OBFBQNXKRVWKFE-HNNXBMFYSA-N 315.373 2.485 0 40 DEAB c1ccc(CCN2CCn3c(nnc3[C@H]3CCCCN3)C2)cc1 72374071 QSNLDYDBBJPWCU-MRXNPFEDSA-N 311.433 2.151 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)COc2ccccc2)C1 78879497 VRHRZWUQIOLSOT-ZDUSSCGKSA-N 320.389 2.191 0 40 DEAB C[C@@H](NC(=O)CN[C@@](C)(CO)C1CCCCC1)c1ccco1 77656243 WBIBFGOIIQSOQG-DYVFJYSZSA-N 308.422 2.378 0 40 DEAB CCCOc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc1OC 33452467 SEYNXLRHADTYPH-IOCXFXADSA-N 307.346 2.087 0 40 DEAB Fc1ccc(-c2nnn(Cc3noc(-c4ccco4)n3)n2)cc1 31651866 JNLATEXPGCSEKJ-UHFFFAOYSA-N 312.264 2.171 0 40 DEAB CC(=O)c1cccc(NC(=O)NCCc2nncn2C2CC2)c1 77507516 ZCXNSFJWBFMFOI-UHFFFAOYSA-N 313.361 2.180 0 40 DEAB COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H](C)Cc2cccs2)C1 194883192 ZOGBGXFHFDRHDP-SDDRHHMPSA-N 310.419 2.320 0 40 DEAB COc1ccccc1CN(CCO)c1nc(N)c2ccccc2n1 195575354 XVAKUGDZNWGCNN-UHFFFAOYSA-N 324.384 2.220 0 40 DEAB CCCc1nc(N2CCC(O)CC2)c2c(n1)c(C)nn2CC 226688328 HCMNYOJVVITPSS-UHFFFAOYSA-N 303.410 2.068 0 40 DEAB COC[C@@H]1CN(Cc2cccc(OC)c2)Cc2ncn(C)c21 96044780 FTUYNHVCVBWQGH-AWEZNQCLSA-N 301.390 2.175 0 40 DEAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3nncs3)C2)cc1 96192755 RFDPOGDWVFYHDW-CQSZACIVSA-N 318.358 2.069 0 40 DEAB O=C(c1coc2ccccc12)N1CCC(c2nc(O)n[nH]2)CC1 537731475 YWGZCXCZFNMDDI-UHFFFAOYSA-N 312.329 2.276 0 40 DEAB Cc1nc([C@H]2CN(CCOc3cccc(Cl)c3)CCO2)no1 95958157 DHTGFGZKOXUEBQ-CQSZACIVSA-N 323.780 2.484 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N2CCCC[C@H]2[C@@H](C)O)c1 96485346 UAVHIWNOMMLTJC-RISCZKNCSA-N 301.383 2.058 0 40 DEAB CCCN1Cc2nccn2C[C@H](CN(C)Cc2ccco2)C1 96067116 RQKKRRAXLRNSJU-OAHLLOKOSA-N 302.422 2.450 0 40 DEAB CC(=O)c1cc(Br)cc(F)c1OCC(=O)N(C)C 97371770 DKSMSEGRXLWIRF-UHFFFAOYSA-N 318.142 2.258 0 40 DEAB O=S(=O)(Cc1ccon1)N[C@H](C1CCCC1)C(F)(F)F 96502206 AXUXRFQWTBEBGZ-SNVBAGLBSA-N 312.313 2.215 0 40 DEAB COCc1nsc(N2CCN(c3ccccc3C)CC2)n1 267421672 UQXFNWHYMUHHTO-UHFFFAOYSA-N 304.419 2.320 0 40 DEAB O=C(NCc1noc(CC[C@@H]2CCCOC2)n1)c1ccccc1 96450905 AZOAOXUQURACAU-ZDUSSCGKSA-N 315.373 2.359 0 40 DEAB O=C1C[C@]2(CCN(Cc3ccccn3)C2)CN1c1cccnc1 96239101 OUWDZAZORWTELD-SFHVURJKSA-N 308.385 2.106 0 40 DEAB C[C@H](CN1CCOCC1)N1CCC([C@H](O)c2ccccc2)CC1 91531519 XZEWJTNOOYIEMK-VQIMIIECSA-N 318.461 2.153 0 40 DEAB O=C(N[C@H]1CN(Cc2cccs2)[C@@H]2CCCO[C@H]12)C1CC1 96186862 CKHCPZPXJBMFOW-RRFJBIMHSA-N 306.431 2.006 0 40 DEAB CN1CCOc2ccc(NC(=O)/C=C/c3ccoc3)cc2C1=O 96103567 CPHZXGLFXOQPKS-GORDUTHDSA-N 312.325 2.396 0 40 DEAB COC[C@@H]1CN(CC(C)C)CC12CCN(C1CCOCC1)CC2 248218017 HBWBPFSPHCTVHE-KRWDZBQOSA-N 324.509 2.482 0 40 DEAB Cc1cc(C(=O)NCc2cnc([C@]3(C)CCCCO3)nc2)no1 257279955 OIWUJJVPZMJSAZ-INIZCTEOSA-N 316.361 2.119 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2ccnc(O)n2)C1 257202882 ANUKXNBFUNOCKZ-ZDUSSCGKSA-N 315.348 2.270 0 40 DEAB O=C(Cc1cccc(F)c1)N1CCO[C@H](c2ccccn2)C1 257229383 FXXCCNDBKJMWGD-INIZCTEOSA-N 300.333 2.363 0 40 DEAB Cc1nccc(N2CCCC[C@@H]2c2cc(O)n3ccnc3n2)n1 257311073 UHUYIEADHRONJW-CYBMUJFWSA-N 310.361 2.265 0 40 DEAB COCCc1cnc2n1CCN(Cc1cccnc1OC)[C@H]2C 585098579 UZEMNPXATRUBAI-ZDUSSCGKSA-N 316.405 2.052 0 40 DEAB CC1(C)CN(C(=O)[C@@H]2CSc3ccccc32)CC[S@]1=O 88206195 WYNNRSGQXMOFDV-ODXCJYRJSA-N 309.456 2.245 0 40 DEAB CCOc1ccccc1NC(=O)N1CCOC2(CCOCC2)C1 90608872 XIZVQCMGSHYOQK-UHFFFAOYSA-N 320.389 2.499 0 40 DEAB O=C(NCCCn1ccnc1)c1ncoc1-c1cccs1 12144645 FQHINLCHPYSEGC-UHFFFAOYSA-N 302.359 2.420 0 40 DEAB O=C1CN(c2nc(-c3ccccc3)nc3ccccc23)CCN1 12688410 LVRJPXPCHDXTAG-UHFFFAOYSA-N 304.353 2.233 0 40 DEAB Brc1cccc2nc(I)nn12 575432067 BJSKHSREGVITGC-UHFFFAOYSA-N 323.919 2.096 0 40 DEAB O=C(COC(=O)c1ccccc1O)NCc1ccccc1F 7193516 AIWIHQPWDWZLKM-UHFFFAOYSA-N 303.289 2.005 0 40 DEAB CCc1n[nH]c(SCC(=O)NCc2ccc(Cl)cc2)n1 14112389 XTRVZFLKWGPRNT-UHFFFAOYSA-N 310.810 2.429 0 40 DEAB COc1ccc(C(=O)OCc2ccc(C(N)=O)cc2)c(F)c1 16127498 ZBWISMRQRMJGOH-UHFFFAOYSA-N 303.289 2.290 0 40 DEAB COc1ccc(OCC(=O)NCCOc2ccc(F)cc2)cc1 22479989 JUDITJQXGIKIFJ-UHFFFAOYSA-N 319.332 2.408 0 40 DEAB CCOc1coc(C(=O)Nc2cccc(C(C)=O)c2)cc1=O 23136932 TXIBEHBFUBIBOY-UHFFFAOYSA-N 301.298 2.493 0 40 DEAB COc1cccc2s/c(=N/C(=O)c3cc(C)no3)n(C)c12 101315128 XNFFTPPCCJNJPK-CCEZHUSRSA-N 303.343 2.286 0 40 DEAB O=C(CN1CCN(C(=O)Nc2cccs2)CC1)c1ccco1 35598477 CFTWFOOZPQAMLN-UHFFFAOYSA-N 319.386 2.374 0 40 DEAB COC[C@@](O)(CNC(=O)c1c(F)cccc1F)c1ccccc1 575607547 MPYUYLYBQGKYTN-KRWDZBQOSA-N 321.323 2.229 0 40 DEAB CSc1nccc(N2CCC(NC(=O)C3CCC3)CC2)n1 2298174069 ZHIHHPSCELKIHW-UHFFFAOYSA-N 306.435 2.084 0 40 DEAB CCc1cc(N2CCC(Oc3ccn4nccc4n3)CC2)ncn1 2298213109 JVRWFFJVBVMDAU-UHFFFAOYSA-N 324.388 2.130 0 40 DEAB COc1ccc2c(C(=O)CN3C[C@H](C)O[C@@H](C)C3)c[nH]c2c1 20441739 CPLDFFPVDWBVMY-RYUDHWBXSA-N 302.374 2.468 0 40 DEAB N=C1c2ccccc2CN1CC(=O)c1ccc2c(c1)OCCO2 179475 NOFMBRPIOJVFLF-UHFFFAOYSA-N 308.337 2.482 0 40 DEAB Cc1ccc(NCCNC(=O)c2ccc(N3CC=CC3)cc2)nn1 101408521 KAAOWLWHKOTQMK-UHFFFAOYSA-N 323.400 2.003 0 40 DEAB CCOC(=O)c1ccccc1NC(=O)Cn1cccc1C=O 33508699 IUVVWNHQUDRTCO-UHFFFAOYSA-N 300.314 2.116 0 40 DEAB CC(C)c1nc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cs1 54177874 NSRHVVDBUHECBU-UHFFFAOYSA-N 321.402 2.500 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2OC)C1 33771889 PDQVLGHFLZFVNS-AWEZNQCLSA-N 305.374 2.039 0 40 DEAB Cc1ccn2cc(C(=O)NCc3ccc4c(c3)OCO4)nc2c1 928624 XNXJPHBTCRQOIQ-UHFFFAOYSA-N 309.325 2.301 0 40 DEAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(F)cc2)cn1 23518927 HLSCGLGPNGNALV-UHFFFAOYSA-N 302.305 2.002 0 40 DEAB CC(C)(C)n1c(NC(=O)c2nccnc2N)nc2ccccc21 78727054 RSJRBZXDQPQLAN-UHFFFAOYSA-N 310.361 2.416 0 40 DEAB C[C@@H]1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccco1 2623579 UTVMHCKGKVDOOL-GFCCVEGCSA-N 313.357 2.057 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1Cl 4451596 MRXMGNWZMHVSRL-UHFFFAOYSA-N 303.749 2.298 0 40 DEAB Cc1cc(CN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)no1 25138159 ZVGUAEOARKOLMB-ZDUSSCGKSA-N 317.320 2.207 0 40 DEAB Cc1nc(C)c(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)s1 43485689 CZKFAUMBNYCIEH-GFCCVEGCSA-N 303.387 2.256 0 40 DEAB O=c1oc2ccc(Cl)cc2n1CN1CCO[C@@H]2CCC[C@@H]21 57100675 DHHXWDXQCJHIMR-WCQYABFASA-N 308.765 2.459 0 40 DEAB CC(C)C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccccc1 44872687 AAVYYGUXFCHJLA-HUUCEWRRSA-N 309.431 2.325 0 40 DEAB CCN(CC)c1ccc(C(=O)N2CCC[C@@H](NC(C)=O)C2)cc1 58282793 ICDXCFRDSUHEDS-MRXNPFEDSA-N 317.433 2.274 0 40 DEAB O=C(CSCc1ccccc1)Nc1nnc2n1CCS2 17189563 CXPLUVDVGNGJNL-UHFFFAOYSA-N 306.416 2.256 0 40 DEAB O[C@H](CNCc1cnc(N2CCCC2)nc1)c1ccccc1F 58263992 NYCZDNRDBLZQAI-MRXNPFEDSA-N 316.380 2.039 0 40 DEAB O=C(NCc1ccccc1Cn1cccn1)N1CCSCC1 44967304 BABJAUOKDFYGGA-UHFFFAOYSA-N 316.430 2.190 0 40 DEAB COCc1ccc(CNCc2c(C)nn(C)c2N(C)C)cc1 58394061 ITCFSMAPMAQFRJ-UHFFFAOYSA-N 302.422 2.231 0 40 DEAB COc1ccccc1-c1nnc(SCC(=O)N2CCC2)o1 58342321 HEQAPNGWXQNZKW-UHFFFAOYSA-N 305.359 2.070 0 40 DEAB CCOC(=O)[C@@](NC(C)=O)(OCc1ccccc1)C(F)(F)F 2333920 LBHFGCRLLQQNJC-CYBMUJFWSA-N 319.279 2.161 0 40 DEAB CCN(Cc1ccccc1C)C(=O)N[C@H]1CCCCNC1=O 45668588 XLLQQPFTPWMYDU-HNNXBMFYSA-N 303.406 2.195 0 40 DEAB Cc1cc(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C)s1 24980473 WBPANSRNTXNWHV-HNNXBMFYSA-N 306.387 2.268 0 40 DEAB CCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)O)c2)cc1C 62639841 REZXGKPFOIAWNY-UHFFFAOYSA-N 324.358 2.221 0 40 DEAB O=C(CNC(=O)c1cc2ccccc2oc1=O)c1ccccc1 12346677 ZUBKMEWPQAEFQO-UHFFFAOYSA-N 307.305 2.406 0 40 DEAB CSc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](C(=O)O)C2)cc1 95424097 CFUHWUBLKJTOGF-RYUDHWBXSA-N 323.414 2.499 0 40 DEAB CCC[C@@H](NC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1 66404917 IAYOFVSLZWVJHF-NVXWUHKLSA-N 303.450 2.280 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2ccccc2F)c1O 6898154 AREOARNJDTXBKP-UHFFFAOYSA-N 319.288 2.335 0 40 DEAB C[C@@H]1COc2ccccc2N1C(=O)c1ccnc(-n2cncn2)c1 96443205 UPOIOUZOAFWSPF-GFCCVEGCSA-N 321.340 2.090 0 40 DEAB CC[C@@H](C)NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O 4977022 ZLXAWDYIQWQOAQ-SNVBAGLBSA-N 318.826 2.021 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc(F)cc(F)c1 67620855 UXOAXTGRXZSLFA-AWEZNQCLSA-N 310.344 2.438 0 40 DEAB NC(=O)[C@@H](NCc1ccccc1-n1cccn1)c1ccccc1 71836968 MSMDENDCSLINAA-KRWDZBQOSA-N 306.369 2.189 0 40 DEAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCO[C@@H]2CCC[C@@H]21 71822668 NYNAENLKSQFVHX-DLBZAZTESA-N 311.385 2.195 0 40 DEAB COc1ccc(CNC(=O)[C@H](NC(C)=O)C2CCCC2)cc1 16469912 HQNJXRLAFVLGFA-MRXNPFEDSA-N 304.390 2.006 0 40 DEAB 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302.378 2.127 0 40 DEAB CC(C)COc1ccc([C@H](C)NC(=O)[C@H]2CN(C)CCO2)cc1 89840306 IWCMSGGYOKLAAZ-WMLDXEAASA-N 320.433 2.229 0 40 DEAB C[C@H]1SCCN(S(=O)(=O)c2c[nH]c3ncccc23)[C@@H]1C 89920068 XMSRVHUTQMHTMD-NXEZZACHSA-N 311.432 2.077 0 40 DEAB Cc1[nH]ncc1C(=O)Nc1ccc(N2CCO[C@@H](C)C2)cc1 76083750 YOSNEFGIPLTPAC-NSHDSACASA-N 300.362 2.196 0 40 DEAB NC1(CNC(=O)Cc2ccc(O)cc2)C2CC3CC(C2)CC1C3 1548562460 PKGNGCFSGXHWSV-UHFFFAOYSA-N 314.429 2.205 0 40 DEAB Cn1nc2c(c1NC(=O)/C=C/c1ccc3c(c1)OCO3)CCC2 36704285 VIFAWFGPNVCQRJ-SOFGYWHQSA-N 311.341 2.289 0 40 DEAB C[C@@]1(c2ccccc2)C[C@H]1NC(=O)c1cnc(C2CCNCC2)[nH]1 1552688834 ICUFRSMGGNZTFI-APWZRJJASA-N 324.428 2.337 0 40 DEAB O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCc1ccccc1 36589903 XERBEAIXLCONTD-OAHLLOKOSA-N 323.352 2.093 0 40 DEAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(S(=O)(=O)C(C)C)C[C@@H]32)cc1 72340408 VZDAQRWILCIYNU-PVAVHDDUSA-N 323.458 2.263 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)N(C)C[C@@H]1CCC[C@@H]1O 534921639 NFIIELYOWMZUHW-XEZPLFJOSA-N 319.401 2.181 0 40 DEAB Cc1cccc(CS(=O)(=O)NC[C@@H](O)Cc2ccccc2)c1 70639307 SGSZYLFZKYYSBZ-KRWDZBQOSA-N 319.426 2.018 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC(c2cnccn2)CC1 72385363 VVEAIGZWYNGWHT-UHFFFAOYSA-N 317.414 2.186 0 40 DEAB Cc1ncsc1COC(=O)c1ccc(S(C)(=O)=O)cc1 78554242 JGOVGZGCASWURP-UHFFFAOYSA-N 311.384 2.212 0 40 DEAB Cc1cc(CNC(=O)c2cccc(Cl)c2)nc(N(C)C)n1 189973727 BFPROUUVAXYIDU-UHFFFAOYSA-N 304.781 2.434 0 40 DEAB CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 49992762 BNULSJSUNDADGF-KGLIPLIRSA-N 323.234 2.327 0 40 DEAB Nc1nc(SC[C@@H](O)c2ccc(C(F)(F)F)cc2)n[nH]1 48544583 FWMUVEFGUIMLQE-MRVPVSSYSA-N 304.297 2.231 0 40 DEAB CCC[C@H](N)C(=O)N1CCC(OCc2ccc(F)cc2)CC1 195555018 OBGVVRALGFDCDJ-INIZCTEOSA-N 308.397 2.461 0 40 DEAB Cc1ccc(C(=O)NC2CC2)c(I)c1 225013770 DXZCREGPBLMLBQ-UHFFFAOYSA-N 301.127 2.492 0 40 DEAB CSC[C@H]1CCN(C(=O)c2c(C)nc(C(C)(C)C)[nH]c2=O)C1 81803693 LJCZYTGAYNQOBR-NSHDSACASA-N 323.462 2.201 0 40 DEAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H]3C[C@H]3C(=O)O)C2)cc1 575183934 OVFRDORJXCOSJG-HRCADAONSA-N 301.386 2.497 0 40 DEAB Cc1csc(NC(=O)N(CCCO)Cc2ccncc2)n1 84059129 JTIOIYYVMYZUIE-UHFFFAOYSA-N 306.391 2.263 0 40 DEAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)Nc1ncccc1O 96435922 SKIKUQLMMLOTRX-UHFFFAOYSA-N 312.304 2.293 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)c3cc(C4CC4)on3)CC2)CO1 96105867 UBCHTIJWVCPGLD-CYBMUJFWSA-N 320.389 2.210 0 40 DEAB CC(C)C(=O)N1CCC[C@@]2(CN(Cc3ccoc3)CCO2)C1 96049126 XGIHGEATJPTVLU-QGZVFWFLSA-N 306.406 2.129 0 40 DEAB c1cc(CN2CCc3ncc(CN4CCCC4)n3CC2)co1 96196851 NSOCFZJBVMNEDE-UHFFFAOYSA-N 300.406 2.130 0 40 DEAB COC[C@H]1CC2(CCN(Cc3cnn(C)c3)CC2)CN1C(C)C 96240297 GNAJOKKSPVGKFX-QGZVFWFLSA-N 320.481 2.131 0 40 DEAB CC(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[C@@H]1O 96420321 PUMMYBGNNRDTAV-BBRMVZONSA-N 318.417 2.416 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)s2)CC1 96482706 FFNMZAFVOXDOSR-MNOVXSKESA-N 308.451 2.140 0 40 DEAB Cc1ccc(N2CCC3(CC2)CCN([C@@H]2CCOC2)CC3)nn1 96158488 OYSIANMZHIQLKA-MRXNPFEDSA-N 316.449 2.256 0 40 DEAB O=C1CCC2(CCC(NC(=O)NCc3ccccc3)CC2)N1 96228523 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2.039 0 40 DEAB CCOC(=O)c1ccc(NC(=O)N2CCN(C(C)C)CC2)cc1 20544161 QKKLMZXKDFYALO-UHFFFAOYSA-N 319.405 2.421 0 40 DEAB CCN(CC)C(=O)CN(C)C(=O)c1cc2cc(F)ccc2[nH]1 32719270 NXXAMRKFZANTFP-UHFFFAOYSA-N 305.353 2.247 0 40 DEAB O=C(CSc1nnnn1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 21732504 ZUTZMXSSJMDPLS-AAEUAGOBSA-N 321.450 2.281 0 40 DEAB O=C(c1cc(Cl)c[nH]1)N1CCN(c2ccc(O)cc2)CC1 52930495 LYRSJPVJNBMEOM-UHFFFAOYSA-N 305.765 2.336 0 40 DEAB CC(C)c1noc([C@H](C)N[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)n1 84714682 HJAXOMUPYQDMHH-MBNYWOFBSA-N 320.437 2.491 0 40 DEAB CCc1ccc2nc(NC(=O)N3CC[C@H](C(N)=O)C3)sc2c1 47793854 BIOXMVGBVRYHQD-JTQLQIEISA-N 318.402 2.198 0 40 DEAB Cc1csc(N2CCN(C[C@@H](O)c3ccccc3)CC2)n1 47891072 GMJCQNQWBKGXMW-OAHLLOKOSA-N 303.431 2.307 0 40 DEAB CC(C)N(C(=O)[C@@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1)C(C)C 12546183 QWKBMWUTDKYAJB-LLVKDONJSA-N 304.394 2.302 0 40 DEAB Cn1c(CCNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)n[nH]c1=S 78502296 GXFUADPYQJULFK-RYUDHWBXSA-N 320.393 2.079 0 40 DEAB 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311.407 2.097 0 40 DEAB Cc1noc([C@@H](C)Nc2ccc(N3CCCS3(=O)=O)cc2)n1 26992198 RLYMRNJYBBOEKA-SNVBAGLBSA-N 322.390 2.091 0 40 DEAB COC(=O)c1ccc(NCc2cccc(C(N)=O)c2)cc1F 95416358 OTFGKRVHKOBPSN-UHFFFAOYSA-N 302.305 2.323 0 40 DEAB CN(Cc1ccsc1)C(=O)c1sccc1-n1cnnn1 58054895 FRGYAVCGQJUKQA-UHFFFAOYSA-N 305.388 2.058 0 40 DEAB CC(C)(C)NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3317303 PBYRIROJQFDIEG-UHFFFAOYSA-N 309.337 2.247 0 40 DEAB O=C(CNC(=O)N[C@H]1C[C@@H]1c1ccccc1)NC1CCCCC1 58230590 FSTVCNLZVFNTPI-CVEARBPZSA-N 315.417 2.291 0 40 DEAB COc1ccc(CN(Cc2nnc(C)n2C)C2CC2)c(OC)c1 44945265 SKSDLWFTWLDMDU-UHFFFAOYSA-N 316.405 2.305 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccnc(N3CCCCC3)c2)CCO1 44967651 SBGKGMVMMKLFKY-AWEZNQCLSA-N 318.421 2.002 0 40 DEAB Cc1cc(C)c(N2C(=O)C[C@H](SCC(=O)O)C2=O)c(C)c1 100855867 DCPRKYDLDPPZKO-NSHDSACASA-N 307.371 2.062 0 40 DEAB O=C(O)c1ccc(C(=O)N2CCOc3ccccc3C2)s1 58302108 HNQSLDHTPNQLCO-UHFFFAOYSA-N 303.339 2.481 0 40 DEAB COc1ccc(S(=O)(=O)N2CCc3ccc(N)cc32)cc1 20182703 WKXYIATZXWNCSA-UHFFFAOYSA-N 304.371 2.029 0 40 DEAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1nc2c(s1)CCC2 58433301 BGVSTHQQZSVQET-SNVBAGLBSA-N 315.398 2.389 0 40 DEAB Cc1cccn(CC(=O)NC[C@H]2CCCc3ccccc32)c1=O 95961909 VQBVFMQDZKWKNW-MRXNPFEDSA-N 310.397 2.393 0 40 DEAB O=C(NC1CC2(CCN(Cc3ccncc3)C2)C1)c1cccnc1 108525057 VWVTXGRNOVJITN-UHFFFAOYSA-N 322.412 2.261 0 40 DEAB CC[C@@H](C)NC(=O)CN1CCN(c2ccccc2Cl)CC1 58748054 ILDMPQIXAUXPQZ-CYBMUJFWSA-N 309.841 2.377 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)N1CCN(c2nccs2)CC1 28415993 CCJUCVSIGZQGEY-GFCCVEGCSA-N 320.418 2.199 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](C)(O4)[C@@H]3C2=O)cc1Cl 100184870 XXVQYRVODRVUJS-ZWUHOBOKSA-N 303.745 2.481 0 40 DEAB Cc1ccccc1C(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1 102739894 ZNCHLVNLKDMMLZ-AWEZNQCLSA-N 322.364 2.453 0 40 DEAB COc1ncc(Cl)c(NCC2(SC)CCOCC2)n1 95966342 JEZUEVTWUQPQHY-UHFFFAOYSA-N 303.815 2.463 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)c1nc(C(C)C)no1 46174007 XFPIPYJMTGRCCV-JTQLQIEISA-N 313.379 2.474 0 40 DEAB Cc1cc(C)n2nc(S[C@H](C)C(=O)NC3CCCC3)nc2n1 2631936 XKUAHVFBRYUMAJ-LLVKDONJSA-N 319.434 2.281 0 40 DEAB CCNC(=O)COc1cccc(C(=O)NCc2ccccc2)c1 2622840 KQLQANLLZHWFGV-UHFFFAOYSA-N 312.369 2.132 0 40 DEAB Cc1cc(C)n2nc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)nc2n1 110532125 CRVRIGQWJQVOOC-ZOBORPQBSA-N 313.405 2.296 0 40 DEAB COc1ccc(C(=O)OCC(=O)NCCc2ccccc2)cc1 3620137 GTCZXLXLAIZGFA-UHFFFAOYSA-N 313.353 2.211 0 40 DEAB COc1ccc(Nc2ncccc2S(N)(=O)=O)cc1Cl 65183174 SRGNCURISJMJTL-UHFFFAOYSA-N 313.766 2.135 0 40 DEAB Cn1cnnc1SCC(=O)NCC12CC3CC(CC(C3)C1)C2 5118726 DPAYFYVJTDHCRC-UHFFFAOYSA-N 320.462 2.240 0 40 DEAB CCOc1ncnc2c1CN(C[C@@H](O)c1ccc(F)cc1)CC2 65523338 GNXKZURHIYHWGD-MRXNPFEDSA-N 317.364 2.106 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CCCN2S(C)(=O)=O)cc1Cl 14183992 FAFNSPQPEANMNX-LBPRGKRZSA-N 316.810 2.011 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](c3nncn3C)C2)C1 65604073 BRXVGTRRXXWLGD-HZSPNIEDSA-N 305.426 2.283 0 40 DEAB C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)N1C[C@H](C)C[C@@H](C)C1 7444491 NHQXHBKADXBXEY-MCIONIFRSA-N 315.417 2.338 0 40 DEAB O=C(c1cccc2cn[nH]c12)N1CCC(Nc2cccnn2)CC1 84494011 TTWNCHGRAKPFOW-UHFFFAOYSA-N 322.372 2.070 0 40 DEAB NC(=O)COc1ccc(CNCc2c(F)cccc2F)cc1 71837055 DEFZFNHFRXLTTP-UHFFFAOYSA-N 306.312 2.119 0 40 DEAB Cc1nccn1-c1ccc(F)cc1CNC(=O)[C@@H]1CCCO1 71886024 KYIACCQUFDDGGC-HNNXBMFYSA-N 303.337 2.115 0 40 DEAB CC(C)[C@@H]1CCCN1C(=O)CCn1ncc(=O)c2ccccc21 71830341 MVSZCUYQKVZZHW-HNNXBMFYSA-N 313.401 2.434 0 40 DEAB CC(C)(C)c1nc(-c2ccc(NC(=O)NCCO)cc2)no1 69184175 JWIGPKUBPRVPKV-UHFFFAOYSA-N 304.350 2.148 0 40 DEAB Cc1cccc2nc(CN3CCCC[C@@H]3Cn3cncn3)cn12 71876380 RQNVLWYBMFXQKZ-MRXNPFEDSA-N 310.405 2.289 0 40 DEAB O=C1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CCN1 71839459 MNXKTIZKSMRICM-UHFFFAOYSA-N 318.392 2.376 0 40 DEAB NC(=O)c1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1 70040400 DZHQWOGMIHQPFG-UHFFFAOYSA-N 315.354 2.068 0 40 DEAB Cc1ccc(F)c(C(=O)N2CCCN(c3ncccn3)CC2)c1 71900161 RICPCPDGOUWPOW-UHFFFAOYSA-N 314.364 2.277 0 40 DEAB CN(C)CCSCC(=O)Nc1ccc(-n2ccnc2)cc1 69780165 GPRFUCZTCZYTDC-UHFFFAOYSA-N 304.419 2.106 0 40 DEAB COC(=O)c1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 69739642 PWJWRJCAGJYOMP-CYBMUJFWSA-N 317.389 2.175 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N(C[C@H]1CCCO1)[C@H]1CCSC1 69950939 NVSNGYKXTXHATG-QWHCGFSZSA-N 321.446 2.414 0 40 DEAB Cc1nc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)sc1C 84064517 WOWMAOIOJXZLQR-ZDUSSCGKSA-N 324.450 2.135 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)N[C@H](C)COCC(C)C 72281219 DOUCBLGNOCEIAK-GDBMZVCRSA-N 308.422 2.389 0 40 DEAB Nc1nc(N(Cc2ccco2)Cc2ccco2)c2nc[nH]c2n1 97115235 FHUFIPFOIHZEMO-UHFFFAOYSA-N 310.317 2.328 0 40 DEAB O=C(NCCn1ccnc1)N[C@H]1CCO[C@H](c2ccccc2)C1 97142092 ANKJMEVJBARPPW-HOTGVXAUSA-N 314.389 2.103 0 40 DEAB O=C(CSCC1CCCC1)N1CCN(c2ncccn2)CC1 97138519 RWIKJDUOGWRKFX-UHFFFAOYSA-N 320.462 2.049 0 40 DEAB C[C@H](CS(=O)(=O)Nc1ccc2nncn2c1)c1ccccc1 97135138 IXILSWVSXLWUSO-GFCCVEGCSA-N 316.386 2.275 0 40 DEAB COC(=O)c1ccc([C@H](C)N2CCCN(CC(F)F)CC2)o1 95984134 SKCKVKUCXREMNC-NSHDSACASA-N 316.348 2.400 0 40 DEAB Cc1ccc(CCC(=O)N2CCOC[C@H]2c2ncon2)c(C)c1 95981312 PGISHUBTKRMUIG-HNNXBMFYSA-N 315.373 2.219 0 40 DEAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(O)c1 9908734 CNPBXDITHSQQHN-UHFFFAOYSA-N 304.733 2.301 0 40 DEAB Cc1ccc(N2CCC[C@H](N(C)C[C@@H]3CCCCO3)C2)nn1 75128821 JRRJMLLAOXJPFG-HOTGVXAUSA-N 304.438 2.255 0 40 DEAB O=C(NC[C@@H](O)C(F)(F)F)[C@@H]1SCCc2sccc21 89885372 RFOLRMNBZRCSBO-RKDXNWHRSA-N 311.350 2.118 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1ccnc(N2CCCC[C@H]2C)c1 89929774 KQKXWWTYSWNKHK-CABCVRRESA-N 316.449 2.237 0 40 DEAB COc1ccnc(NC(=O)c2ccc3c(c2)CCC(=O)N3C)c1 89982300 RJKKKNVSCLUIDB-UHFFFAOYSA-N 311.341 2.252 0 40 DEAB C[C@@H](OC(=O)c1cccc(-n2cnnn2)c1)C(=O)c1ccccc1 23077949 PNKJRJKWWMWTBK-GFCCVEGCSA-N 322.324 2.091 0 40 DEAB Cc1noc([C@@]23CCC[C@H]2CN(C(=O)c2ccn(C)c2C)C3)n1 1550525527 UWXHVKYGBLXUCL-SUMWQHHRSA-N 314.389 2.219 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)s1 28226011 XXUBQXCDRBIWGH-ZJUUUORDSA-N 322.386 2.015 0 40 DEAB COC(=O)c1ncn(Cc2ncc(C(F)(F)F)cc2Cl)n1 22996816 OFONWNVCBWMOEE-UHFFFAOYSA-N 320.658 2.180 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(F)cc1 33675427 KHGZKIMUQLITFB-MWDXBVQZSA-N 306.333 2.044 0 40 DEAB Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CN 35415789 VDEVONQNOQHXMM-XQQFMLRXSA-N 302.447 2.285 0 40 DEAB biogenic,in-vitro Cc1ccccc1CNC(=O)CCNC(=O)c1ccsc1 32731482 WJURXEMBOSJBNF-UHFFFAOYSA-N 302.399 2.493 0 40 DEAB Cn1nnnc1N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 531843448 IPMSEAVNYQCDOF-VIFPVBQESA-N 314.176 2.175 0 40 DEAB C[C@@H](Cc1ccccc1)OC(=O)c1cnc2ccccn2c1=O 79334970 OCJGVCPJNHIFAW-ZDUSSCGKSA-N 308.337 2.483 0 40 DEAB COc1ccc([C@@H]2[C@H](CN)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218097760 SXJFNECNOKYECL-BBWFWOEESA-N 317.410 2.210 0 40 DEAB Cc1cc2c(=O)n(C)c(=O)n(CCc3ccccc3)c2s1 32093761 GFLKGOJJWGNJSZ-UHFFFAOYSA-N 300.383 2.313 0 40 DEAB COc1ccccc1N1C[C@@H](C(=O)N2CCCCC2)CC1=O 39918171 FIHVALWWXUNUJW-ZDUSSCGKSA-N 302.374 2.061 0 40 DEAB CO[C@H](C)c1noc(CN(C)Cc2cc(C(=O)O)c(C)o2)n1 563282320 JCXUJZUKDFZWPK-SECBINFHSA-N 309.322 2.009 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1nnc2ccccc2n1 46088167 IPEPNQGRXJOXJY-UHFFFAOYSA-N 308.297 2.048 0 40 DEAB O=C1NCCN[C@@H]1c1cccc(-c2ccc3c(c2)CCOC3)c1 530248771 SZFSYULPAVRFIP-GOSISDBHSA-N 308.381 2.187 0 40 DEAB C[C@@H](C(=O)N1CCC(F)(c2ccccn2)CC1)n1cccn1 573852548 FARNDUVCIBVVQO-ZDUSSCGKSA-N 302.353 2.327 0 40 DEAB Cc1cc(C)n(CC2CCN(C(=O)[C@@H]3CCC[C@@H](N)C3)CC2)n1 195560499 IVJXFXAKSABSMJ-IAGOWNOFSA-N 318.465 2.256 0 40 DEAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(N)=O)cc1 225774090 XNBOOKUYFNDDKS-LCYFTJDESA-N 302.355 2.013 0 40 DEAB CC1(C)CCCN[C@@H]1C(=O)Nc1n[nH]c2c(Cl)cccc12 332231766 DTWCHTJQRWOAOO-GFCCVEGCSA-N 306.797 2.933 0 40 DEAB CC(C)Nc1ccnc([C@@H]2COCCN2Cc2ccncc2)n1 96219707 WQVSRQJGAZCPNX-HNNXBMFYSA-N 313.405 2.265 0 40 DEAB CC(C)c1nnc2n1C[C@H](N[C@@H](C)c1nc(C3CC3)no1)CC2 97199476 WPRNDZHHNORUDJ-CMPLNLGQSA-N 316.409 2.328 0 40 DEAB c1ccc(-c2n[nH]c(SCc3nnc(C4CC4)o3)n2)nc1 96409182 BCLKDGYZUVQAFI-UHFFFAOYSA-N 300.347 2.419 0 40 DEAB CCN1CCOC[C@@]2(CCCN(C(=O)c3cccs3)C2)C1 96228881 WOHAEXZFLLQRCD-INIZCTEOSA-N 308.447 2.323 0 40 DEAB CC(C)NC(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 96435449 PYSHXDCJKYPPAQ-UHFFFAOYSA-N 304.329 2.209 0 40 DEAB CCOC(=O)c1cc(OC)c(OCC2CCN(C)CC2)cc1N 95830609 TVBGZCDJLZJQOA-UHFFFAOYSA-N 322.405 2.175 0 40 DEAB Cc1cncc(O[C@@H]2CCOC3(C2)CN(Cc2ccco2)C3)n1 253601040 HSHVENSGZZIDDR-CQSZACIVSA-N 315.373 2.190 0 40 DEAB COc1cccc2c1N(CC(=O)NCc1ccco1)CCC2 26338213 UUIFBHREPYOZJC-UHFFFAOYSA-N 300.358 2.357 0 40 DEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NCC(F)(F)F 253402096 NYAXWPWPXHZXOI-ZETCQYMHSA-N 315.251 2.082 0 40 DEAB biogenic,in-vitro CCn1cc(C(=O)N2CCO[C@H](c3ccnc(C)c3)C2)c(C)n1 257234225 GSRMMOCMKXPMKT-INIZCTEOSA-N 314.389 2.129 0 40 DEAB COc1ccc([C@H](NC(=O)c2cc(C3CC3)on2)C(=O)O)cc1 262136435 KLEOXNPYYUYHIH-AWEZNQCLSA-N 316.313 2.116 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)C(=O)NC1CCCC1 298099706 KUOJJANEDATMNZ-UHFFFAOYSA-N 304.390 2.149 0 40 DEAB CO[C@@H]1CCOC2(C1)CN(C(=O)c1ccc3c(ccn3C)c1)C2 575402426 AQUUTJROCFUVQF-OAHLLOKOSA-N 314.385 2.198 0 40 DEAB CC[C@H](C)[C@@H](CO)NC(=O)Cn1ccc2c(OC)cccc21 575444484 GNZWGRSZWVBIIZ-GXTWGEPZSA-N 304.390 2.173 0 40 DEAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cnccn2)C1 585273215 BERDNJGNPJOHHH-SFHVURJKSA-N 313.401 2.455 0 40 DEAB Cc1ccccc1OC[C@]1(O)CCN(Cc2[nH]cnc2C)C1 585274354 JMKJUYCYSPBANX-KRWDZBQOSA-N 301.390 2.042 0 40 DEAB CN([C@@H]1CCCN(Cc2ccccc2)C1)S(=O)(=O)C1CC1 173532670 BYRIJWPYZNMOLM-OAHLLOKOSA-N 308.447 2.075 0 40 DEAB Cc1cnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nc1 1776008433 FFTJLDXRTLYURX-UHFFFAOYSA-N 310.405 2.169 0 40 DEAB C[C@@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)[C@H](C)CO1 40501885 UAKMXRIZIVQBRE-VXGBXAGGSA-N 321.352 2.397 0 40 DEAB CSC[C@@H](C)NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1 79019785 WCCJAYACWUMKRR-GIPWTMENSA-N 314.476 2.317 0 40 DEAB NC(=O)c1cccc(CCNC(=O)N(C2CCCC2)C2CC2)c1 84363911 SMAQEFGKISJNKQ-UHFFFAOYSA-N 315.417 2.445 0 40 DEAB NC(=O)CSc1nnc(-c2cccc(Br)c2)o1 5147413 ZZIMDROXGSRVRZ-UHFFFAOYSA-N 314.164 2.077 0 40 DEAB Cc1nc(-c2cc(C)n(CC(=O)N3CCOCC3)c2C)cs1 12792490 IVZBNLQHMJLZHC-UHFFFAOYSA-N 319.430 2.396 0 40 DEAB COc1ccc(NC(=O)CNCCCn2ccnc2)cc1Cl 13129695 UEMUGEJQCORKQS-UHFFFAOYSA-N 322.796 2.164 0 40 DEAB O=[N+]([O-])Nc1nc(O)c(Br)c(-c2ccccc2)n1 17022059 XRUYFSBHCHITHR-UHFFFAOYSA-N 311.095 2.215 0 40 DEAB Cc1nc(C)c(F)c(OCC2CCN(c3ccncn3)CC2)n1 1888859576 VTUYEAXMHMQRGO-UHFFFAOYSA-N 317.368 2.318 0 40 DEAB CN(Cc1ccnn1C)C(=O)c1ccccc1Br 28219645 WVMSIAXPVLZIPR-UHFFFAOYSA-N 308.179 2.455 0 40 DEAB O=C(N1CCC[C@]2(CCN(CC3CC3)C2=O)C1)C1(F)CCC1 1614933906 ZLDLJQMORVYREC-INIZCTEOSA-N 308.397 2.130 0 40 DEAB Cc1cncnc1N1CCN(c2nc3ccc(F)cc3o2)CC1 1775973119 IADUYXPHOKJLIG-UHFFFAOYSA-N 313.336 2.392 0 40 DEAB O=C(OCC(=O)c1ccc(O)cc1O)c1ccc2c(c1)COC2 50024033 QTSWMDIPUPJNQJ-UHFFFAOYSA-N 314.293 2.168 0 40 DEAB O=c1oc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1 20031667 HPBCUXAWNTXYEJ-UHFFFAOYSA-N 309.730 2.485 0 40 DEAB O=c1oc(-c2ccco2)nn1C[C@H](O)c1ccc(Cl)cc1 40493664 VQBQOEREMBOEKC-NSHDSACASA-N 306.705 2.483 0 40 DEAB CCOc1ccc([C@@H]2C=C(C(=O)O)Nc3ncnn32)cc1Cl 101347682 VEWQWAFTPRMBQC-NSHDSACASA-N 320.736 2.314 0 40 DEAB CN1C(=O)C[C@H](C(=O)Nc2nccs2)[C@@H]1c1ccccc1 20744867 VCYBCQMLRFRPAX-AAEUAGOBSA-N 301.371 2.301 0 40 DEAB O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1cccs1 20910621 HJWOCAJGNGPNOX-CYBMUJFWSA-N 302.355 2.154 0 40 DEAB O=c1oc2ccccc2n1CN1CCN(Cc2ccccc2)CC1 21319145 CWPATHSXZJYEBS-UHFFFAOYSA-N 323.396 2.370 0 40 DEAB CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccncc1 534245 RCBUBHREPFXTGQ-UHFFFAOYSA-N 317.418 2.075 0 40 DEAB COc1ccc(N2C(=O)C(Cl)=C(N3CCCC3)C2=O)cc1 149393 TUFXUWGJIKETCF-UHFFFAOYSA-N 306.749 2.115 0 40 DEAB CCc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)O)cc1 195772 JDHDEPFGNTWQBN-OAHLLOKOSA-N 316.357 2.414 0 40 DEAB CCN(C)S(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 72306986 RKDKFSDGRFKQIS-UHFFFAOYSA-N 314.451 2.149 0 40 DEAB O=C(c1ccccn1)N1CCc2c(cnn2-c2ccccc2)C1 77976358 CCIUNDJODXDELE-UHFFFAOYSA-N 304.353 2.466 0 40 DEAB CC(C)(C)NC[C@H](O)COc1ccccc1OC[C@H]1CCCO1 1846353 AKLNLVOZXMQGSI-LSDHHAIUSA-N 323.433 2.372 0 40 DEAB in-man CC(=O)COc1coc(CN2CCc3ccccc3C2)cc1=O 79193047 JFMIXEUHFQSFIU-UHFFFAOYSA-N 313.353 2.166 0 40 DEAB biogenic O=C(CSc1nnnn1C1CCCC1)NC1CCCCC1 4968016 NEHUDOMGDOZUBZ-UHFFFAOYSA-N 309.439 2.329 0 40 DEAB CC(C)CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 6357820 XFITWESWWDLFCZ-LBPRGKRZSA-N 315.460 2.310 0 40 DEAB Cc1ccccc1CN1CCCN(C(=O)c2csnn2)CC1 57076556 DTBQDFDTJPPCQW-UHFFFAOYSA-N 316.430 2.195 0 40 DEAB CCOC(=O)[C@@](NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F 1856278 VDIPNGWREPJZLR-GFCCVEGCSA-N 322.258 2.195 0 40 DEAB CC(C)(C)c1cnc(CN2C(=O)c3ccccc3S2(=O)=O)o1 58029064 LSYXUFABZHBOMH-UHFFFAOYSA-N 320.370 2.317 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)Cn1ccc(C(F)(F)F)n1 44913180 IEKACWHUPRWFFD-SECBINFHSA-N 301.268 2.242 0 40 DEAB O=C(COCc1ccccc1)N1CCC[C@H]1CN1CCCC1 58344089 UWXPIRLNQJEWPB-KRWDZBQOSA-N 302.418 2.290 0 40 DEAB CCOC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 58517448 KHNHLRWXVMGWRG-UHFFFAOYSA-N 307.737 2.023 0 40 DEAB Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCN(C(N)=O)C3)s2)o1 97238058 AHQVLWYIWOXPQV-SNVBAGLBSA-N 319.386 2.199 0 40 DEAB C[C@H]1CN(C(=O)CSc2nc(-c3ccccc3)c[nH]2)CCO1 29029696 CJQFBEOORAHFBV-LBPRGKRZSA-N 317.414 2.416 0 40 DEAB CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 48365933 HHOIABAHYAIJNW-ZDUSSCGKSA-N 306.431 2.498 0 40 DEAB C[C@H](Sc1nc2c(c(=O)[nH]1)CCC2)C(=O)Nc1ccccc1 11902877 MAQNGVHHKQVIHQ-JTQLQIEISA-N 315.398 2.378 0 40 DEAB Cc1ccccc1/C=C1\C(=O)Nc2ccc(S(N)(=O)=O)cc21 48332083 WKEIQYNVBCFDRJ-ZSOIEALJSA-N 314.366 2.135 0 40 DEAB C[C@H](Nc1ccc2oc(C3CC3)nc2c1)C(=O)N1CCNC1=O 46819982 LJGWESOTVKIUQR-VIFPVBQESA-N 314.345 2.057 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1/C=C/c1ccccc1 20112973 YHXCGSKXQOACAT-HPDIZZKLSA-N 314.381 2.450 0 40 DEAB CS(=O)(=O)CCC(=O)NC1CC(c2ccccc2Cl)C1 95401035 ZULXAJYRBXOKGM-UHFFFAOYSA-N 315.822 2.137 0 40 DEAB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1N 3885660 KGULTNWNSDZZGE-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB O=C(C1=CCCC1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306137931 RKFSFWIFCVMEGQ-OAHLLOKOSA-N 314.385 2.188 0 40 DEAB O=C(Cc1cccnc1)N1CCN(c2ccncc2Cl)CC1 95437737 VDDOXVJTFUIXNW-UHFFFAOYSA-N 316.792 2.021 0 40 DEAB COc1ccc(CNC[C@@H]2CCS(=O)(=O)C2)c2ccccc12 65490297 KRVUGEFKWFINSL-ZDUSSCGKSA-N 319.426 2.373 0 40 DEAB COc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1 4483813 MAZITBMOVRUEJH-UHFFFAOYSA-N 304.327 2.436 0 40 DEAB O=C(NCCCOc1ccccc1)c1n[nH]c(=O)c2ccccc12 9366143 DUJNXAYIISOLJZ-UHFFFAOYSA-N 323.352 2.122 0 40 DEAB CN(C)c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 4705537 KEPPJDHLSUYFCM-LCYFTJDESA-N 311.366 2.116 0 40 DEAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1cnn(C)c1)c1ccco1 71797296 VIXCCMUICAQRQO-TZMCWYRMSA-N 302.378 2.027 0 40 DEAB CC(C)S(=O)(=O)[C@H](C)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 67095833 MLXIEIMOIAVLKD-HONMWMINSA-N 313.394 2.010 0 40 DEAB Cc1nc2ccc(NC(=O)C(=O)N3CCCCCC3)cc2o1 80215669 VEFTXDKLBSZQII-UHFFFAOYSA-N 301.346 2.477 0 40 DEAB O=C(CNC(=O)c1n[nH]c2ccccc12)OCc1ccccc1 15950851 DWIWYLAIMBXRQX-UHFFFAOYSA-N 309.325 2.036 0 40 DEAB Cc1nnc(CSc2nnnn2-c2cccc(C)c2C)o1 7686381 DZAFPVYVELEFSI-UHFFFAOYSA-N 302.363 2.263 0 40 DEAB COc1ccc(CNC(=O)c2cc(C(C)=O)c[nH]2)cc1OC 7955433 MAYFOECEWHANCL-UHFFFAOYSA-N 302.330 2.165 0 40 DEAB COc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)cn1 8017647 QVJIPUSSSZZRCC-UHFFFAOYSA-N 320.370 2.054 0 40 DEAB O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NC1CCCC1 71916448 WPKPPRUNYFIKLK-KRWDZBQOSA-N 302.418 2.336 0 40 DEAB COC(=O)[C@H](C)N(Cc1csc(-c2cnn(C)c2)n1)C1CC1 69696417 ZMDZCRRNQQWMAW-JTQLQIEISA-N 320.418 2.070 0 40 DEAB COC(=O)CSCCC(=O)NCc1ccc(Cl)cc1 69738938 JUWCMQLJOQGASX-UHFFFAOYSA-N 301.795 2.253 0 40 DEAB O=C([C@@H]1CCc2ccccc21)N1CCCN(c2cccnn2)CC1 69947745 NSPUBIZYYTWWQM-QGZVFWFLSA-N 322.412 2.245 0 40 DEAB CCc1n[nH]c(SCc2cc(=O)n3c(C)csc3n2)n1 8751106 KEGCHILCCNTNBN-UHFFFAOYSA-N 307.404 2.037 0 40 DEAB Cc1cn2c(CN3CC(=O)N[C@H]4CCCC[C@@H]43)c(C)nc2s1 92703420 JDLFTRHCRLNNHS-STQMWFEESA-N 318.446 2.256 0 40 DEAB CCn1cc(CNC[C@@H](c2cccs2)N2CCOCC2)cn1 72280832 AMHFTOSDVMUUDP-HNNXBMFYSA-N 320.462 2.128 0 40 DEAB Cc1ccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)cc1F 72298009 BHTWTFGZLJJOCL-LBPRGKRZSA-N 321.421 2.383 0 40 DEAB O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)c1ccc(=O)[nH]c1 72273163 DVMPRLMPPDYSJK-WMLDXEAASA-N 312.369 2.273 0 40 DEAB CCOC(=O)c1ccccc1N(CC)C(=O)Cn1cccn1 72290192 LVTMRZFWZNWNED-UHFFFAOYSA-N 301.346 2.113 0 40 DEAB CC(C)c1cccc(N(C)C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 95955127 CXCZEBPKBBXQEG-CYBMUJFWSA-N 310.419 2.143 0 40 DEAB CC[C@H](CO)NC(=O)NC[C@@H]1CCCc2cc(OC)ccc21 95944956 DDFDQYBLXXUPRC-UONOGXRCSA-N 306.406 2.185 0 40 DEAB C[C@@H](CCc1ccccc1)Nc1ccn(CCS(C)(=O)=O)n1 86164688 GBCLCBPQACWTHX-AWEZNQCLSA-N 321.446 2.361 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@H]2CCCc3occc32)c(=O)[nH]1 75111245 ILANYFKYTUJCQU-AWEZNQCLSA-N 315.373 2.462 0 40 DEAB COC(=O)[C@H](NC(=O)c1cncc(C)c1)c1ccc(F)cc1F 89874143 SJGGTQVYYBMARG-CQSZACIVSA-N 320.295 2.312 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc3nncn3c2)C12CCCC2 89986121 VCFUOLBSJYEOCF-ZIAGYGMSSA-N 314.389 2.197 0 40 DEAB CC(C)c1nc([C@@H]2CCCN2CC(=O)Nc2nccs2)no1 75581697 UDFYTRYUBZBUJS-JTQLQIEISA-N 321.406 2.425 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 76020756 VZJFMIJMZZQHAA-ZDUSSCGKSA-N 321.425 2.043 0 40 DEAB C[C@](O)(CNC(=O)[C@@H]1Cc2ccccc2O1)c1cccs1 76084466 QEEMQRFBPBYSTH-BBRMVZONSA-N 303.383 2.076 0 40 DEAB CCc1ccc([C@@H]2C[C@@H](C)CCN2CCCS(N)(=O)=O)o1 76145281 VUCASPNHNDVXCU-JSGCOSHPSA-N 314.451 2.294 0 40 DEAB CO[C@H]1CCN(c2cc(C(C)C)nc3ncnn23)CC1(C)C 514840195 SOSIOWKYPLZRDY-ZDUSSCGKSA-N 303.410 2.499 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccn3)cn2)n1 32646592 VMZWALAIQSWGAC-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB O=C(C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21)c1cccnc1 32103346 JDUOBVJXFTWTHR-HNNXBMFYSA-N 302.717 2.148 0 40 DEAB COc1ccc(CSc2nc3ccccc3c(=O)n2N)cc1 71768789 WLKSNEYUDXUCCE-UHFFFAOYSA-N 313.382 2.411 0 40 DEAB Cc1ccc(NC(=O)/C=C2\N=C(Nc3ccccc3)NC2=O)cc1 30874342 TVBYDKKNSTYUHW-PTNGSMBKSA-N 320.352 2.415 0 40 DEAB COCCOc1cccc(C(=O)N2CC[C@H](O)CC23CCC3)c1 566083289 PNLRHQFYSGVXCP-HNNXBMFYSA-N 319.401 2.231 0 40 DEAB COc1ccc2c(c1)cc(C)c1nn(Cc3ccccn3)c(=O)n12 72346987 RYFAPGYUVKCPEW-UHFFFAOYSA-N 320.352 2.410 0 40 DEAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)N=c1[nH]cc[nH]1 79475208 HEOQVPISCLNXLJ-UHFFFAOYSA-N 301.737 2.138 0 40 DEAB CC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1cnn(CC)c1 73669712 FKOGNXWBUYDAFM-CYBMUJFWSA-N 302.378 2.089 0 40 DEAB Cn1ccnc1[C@@H](O)C1CCN(CCc2cccs2)CC1 89925602 NAGDUHPLMHNIBL-HNNXBMFYSA-N 305.447 2.470 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccncc1Cl 328941745 FJPZZYJCELAUAG-CYBMUJFWSA-N 320.780 2.289 0 40 DEAB COc1ncccc1C(=O)NCc1ccnc(-c2cccnc2)c1 225640210 CYIJZWPLPKDKMC-UHFFFAOYSA-N 320.352 2.477 0 40 DEAB CC(C)OCc1cccc(NC(=O)N[C@@H]2C(=O)NCC[C@@H]2C)c1 193976114 STIFRZRXMBEBFB-WFASDCNBSA-N 319.405 2.258 0 40 DEAB c1csc(CN2CC[C@H]3[C@H]2CCN3CC2CCOCC2)n1 96184429 QTGXBAMSWOTEJE-LSDHHAIUSA-N 307.463 2.218 0 40 DEAB Cc1cnccc1NC(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 96489258 NKDDEQSHEKQKST-ZIAGYGMSSA-N 306.410 2.011 0 40 DEAB O=S1(=O)N=C(Cl)Nc2ccc(OC(F)(F)F)cc21 95096726 TVUPEUQURDCHMD-UHFFFAOYSA-N 300.645 2.294 0 40 DEAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2cn(C)nc21 96059813 BMERJOZXCJGWAZ-OAHLLOKOSA-N 301.390 2.175 0 40 DEAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1nccs1)C2 96086898 MXMXHADAYCSWHJ-AWEZNQCLSA-N 318.446 2.403 0 40 DEAB NCCCOC1CCN(C(=O)Cc2ccccc2Cl)CC1 94070738 BMDXJHYPUDOIBL-UHFFFAOYSA-N 310.825 2.239 0 40 DEAB C1CC(CN2C[C@@H]3C[C@@H](c4nnc(C5CC5)o4)O[C@@H]3C2)CCO1 96045835 NQGSBEORUOLKNX-SOUVJXGZSA-N 319.405 2.135 0 40 DEAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)CSCC(N)=O)o1 96433272 BKOICPJZWVAJAQ-AAEUAGOBSA-N 324.446 2.360 0 40 DEAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cccnc1)C2 96198017 FPMIDTLBMVIBRN-KRWDZBQOSA-N 312.417 2.341 0 40 DEAB O=C(O)c1c(-c2ccoc2)ncc2c1CCN([C@@H]1CCOC1)C2 96189240 XSRMFMDTXXNIJF-CYBMUJFWSA-N 314.341 2.187 0 40 DEAB CC(C)OCc1ncn2c1CN(C(=O)c1ccoc1)CCC2 96259921 KHBRHYYXVOYQBV-UHFFFAOYSA-N 303.362 2.447 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 245289758 DYHZATBWTNKHSU-CORIIIEPSA-N 323.824 2.395 0 40 DEAB Cn1nccc1C(=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257233085 GNSANYGKEAXOQQ-LXZKKBNFSA-N 311.385 2.350 0 40 DEAB CSCC(=O)N1CC2(C[C@@H](OCc3cccnc3)CS2)C1 575403870 PFFLYMLJVRMYSH-CYBMUJFWSA-N 324.471 2.048 0 40 DEAB Fc1ccc(CCN2CCOC[C@@H](Cc3cnccn3)C2)cc1 72388268 UEOLUZBPLZQSBB-INIZCTEOSA-N 315.392 2.349 0 40 DEAB Cc1ncsc1C(=O)N1CCC(COc2ncccn2)CC1 1775995968 OZDYFEKYGACTBU-UHFFFAOYSA-N 318.402 2.173 0 40 DEAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 13225162 IZUPNTFSLGOKMC-QEJZJMRPSA-N 303.358 2.310 0 40 DEAB O=C(c1cc[nH]n1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19292539 SBIYTAGSTJCFSF-LLVKDONJSA-N 301.350 2.080 0 40 DEAB Cc1cc(C)n2nc(C(=O)N3CC[C@H](c4ccccc4)C3)nc2n1 19656587 BFPDUSPHPQWZCC-HNNXBMFYSA-N 321.384 2.371 0 40 DEAB COc1ccc(NC(=O)c2ccc3nncn3n2)cc1Cl 1888891083 VHDPVFAVWXXJNG-UHFFFAOYSA-N 303.709 2.039 0 40 DEAB Cc1cccc(F)c1C(=O)N1CCC2(CC1)CC(=O)N(C)C2 1565545734 MWCXKIVYOWMCLK-UHFFFAOYSA-N 304.365 2.219 0 40 DEAB C[C@@H]1C(=O)NCCN1C(=O)CCCSc1ccc(F)cc1 12443706 BEIZSVDYEXUUBW-LLVKDONJSA-N 310.394 2.045 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NC[C@H](c1ccsc1)N1CCC1 225594428 NWVWLBPXKZPSQX-CQSZACIVSA-N 318.446 2.275 0 40 DEAB CC(C)NC(=O)N1CCC[C@H](C(=O)NCc2ccccc2)C1 40108603 ULDRDXXPIQQBCU-HNNXBMFYSA-N 303.406 2.133 0 40 DEAB Cc1nc(C)c(CC(=O)Nc2nc3ccccc3s2)c(=O)[nH]1 31226211 AAWWDQZCXMUTSK-UHFFFAOYSA-N 314.370 2.178 0 40 DEAB Cc1oc(-c2ccccc2)nc1CN(C)[C@H]1CCS(=O)(=O)C1 32901336 MHPVTTGRZKXMIA-AWEZNQCLSA-N 320.414 2.269 0 40 DEAB COc1ccc(OC)c(CNC(=O)[C@@H](C)OCC(F)(F)F)c1 32924287 ZETWBOVKURGATJ-SECBINFHSA-N 321.295 2.287 0 40 DEAB CCc1n[nH]c(S[C@H](C)C(=O)NCc2ccc(F)cc2)n1 22284509 SVPQKTIYVSOLQN-SECBINFHSA-N 308.382 2.303 0 40 DEAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccc3c(c2)OCCO3)C1 812173 LTQJKHIHHJDLLD-BETUJISGSA-N 304.390 2.374 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)c2ccc(O)cc2)c(C)c1 47552645 KOLMIYOZBFTEMW-UHFFFAOYSA-N 312.369 2.169 0 40 DEAB C[C@H]1CN(c2ccc(C(=O)Nc3cccnc3)cn2)C[C@@H](C)O1 47585602 WOPBLNNIXKQJFD-BETUJISGSA-N 312.373 2.343 0 40 DEAB Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)NC(=O)NC1CC1 12534766 SBLKWWQKOAGALZ-GFCCVEGCSA-N 301.390 2.124 0 40 DEAB O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)[C@H]1CCCO1 78617932 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C[C@@H](NC(=O)N1CCC[C@@H]1c1cccc(F)c1)C(=O)N(C)C 56875764 XXCLHGIKQLFMKO-BXUZGUMPSA-N 307.369 2.149 0 40 DEAB CN(C)C(=O)N[C@H]1CCOC2(CCN(Cc3ccco3)CC2)C1 108533639 FQFGJBVLOPJMAB-AWEZNQCLSA-N 321.421 2.064 0 40 DEAB Cc1ccc(-c2cc(CNC(=O)N3CCC(O)CC3)on2)cc1 44971530 WACFPSHUARASCO-UHFFFAOYSA-N 315.373 2.316 0 40 DEAB CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1ccc3ccccc3n1)CCO2 107720099 FSOLOEXGDKJNBR-BRWVUGGUSA-N 312.369 2.253 0 40 DEAB C[C@@H](O)CN(Cc1nnnn1-c1ccccc1)c1ccccc1 58418412 GDPGUHKBCOFQBA-CQSZACIVSA-N 309.373 2.050 0 40 DEAB CCCC(=O)NCC(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 76042221 UHNOAOHNWJITHU-UONOGXRCSA-N 310.438 2.147 0 40 DEAB COCCC(=O)N1C[C@@H]2CN(Cc3cccc(Cl)c3)[C@H]2C1 107798208 ADRNTWROVABNKC-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB Cc1nc(NCCN2CCOCC2)c2oc3ccccc3c2n1 20461094 KSLIZUOIYFMWMN-UHFFFAOYSA-N 312.373 2.429 0 40 DEAB Cc1cccc(C(=O)N2CCCN(Cc3nc(C)no3)CC2)c1 29831368 BVBLEPOUUUEICC-UHFFFAOYSA-N 314.389 2.035 0 40 DEAB C[C@@H]1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccccc1 2644452 CCGXEYHNENSIRR-CQSZACIVSA-N 323.396 2.464 0 40 DEAB Cc1ccc2ncn(Cc3cnn(-c4ccccc4)n3)c(=O)c2c1 46876438 VXKPKPZBCCHUHI-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB CCOc1ccc(NC(=O)NCc2cn(C)nc2CC)cn1 93302413 LCSXPFBXTBJHRG-UHFFFAOYSA-N 303.366 2.098 0 40 DEAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(C[C@@H](C)O)CO3 13623785 BOQAVIPQQWBVOJ-SNVBAGLBSA-N 303.358 2.197 0 40 DEAB O=C(Cc1ccccc1F)NCCc1ccc2c(c1)OCCO2 6278036 JBXXEKPDEXGXFJ-UHFFFAOYSA-N 315.344 2.498 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)NCc1ccccc1 5278190 QKTXLGDNNHRWCU-UHFFFAOYSA-N 303.383 2.410 0 40 DEAB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1F)CC(=O)N2 6748323 LAACZRNAMVMONV-MRVPVSSYSA-N 323.324 2.244 0 40 DEAB C[C@H](NC(=O)C1CCOCC1)C(=O)NC(C)(C)CC(C)(C)C 66821022 HZPQJCGBFRDXQD-LBPRGKRZSA-N 312.454 2.249 0 40 DEAB C[C@@H](COCC(F)(F)F)NC(=O)c1c[nH]c2ncccc12 67277476 SYGTUXQBCGFACH-QMMMGPOBSA-N 301.268 2.260 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3cnccn3)CC2)C1(C)C 71794066 VOBNKOBYHHHUFL-GDBMZVCRSA-N 314.433 2.364 0 40 DEAB 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2.317 0 40 DEAB CC(C)C[C@@H](C)NC1CCN(S(=O)(=O)CC(C)C)CC1 97039049 GYTQKXIYKKUWRR-CQSZACIVSA-N 304.500 2.461 0 40 DEAB Cc1ccc(Cc2nnc(NC(=O)NCCN(C)C)s2)cc1 97052095 JPPSXMIUQOJCNF-UHFFFAOYSA-N 319.434 2.120 0 40 DEAB CCCN(C(=O)CCn1cncn1)[C@@H]1C[C@@H](OCC)C1(C)C 72293692 LEFKSTBGNHNERU-ZIAGYGMSSA-N 308.426 2.110 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2cccn2C)c(C)nn1C 72234345 QBXCLSTYTKYVLX-LBPRGKRZSA-N 302.378 2.053 0 40 DEAB C[C@H](OC(=O)c1cscn1)c1ccc2c(c1)NC(=O)CO2 72270938 RZQXZOQBWJTYIU-QMMMGPOBSA-N 304.327 2.392 0 40 DEAB COC(=O)[C@@H]1CCCN1Cc1noc(-c2ccccc2C)n1 84247693 IZHGHYGPVLKYEX-ZDUSSCGKSA-N 301.346 2.182 0 40 DEAB COC(=O)[C@@H](OC(=O)c1cc(OC)ccc1N)c1ccccc1 95977824 AYNKENYAWDJKEN-HNNXBMFYSA-N 315.325 2.349 0 40 DEAB Cc1cccc(NC(=O)NCCC(=O)N2CCCCCC2)n1 97378636 FPEGDJVVBDMBHL-UHFFFAOYSA-N 304.394 2.304 0 40 DEAB CN(C)[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)C1 89314044 RXCTYZKFXNSTRR-OAGGEKHMSA-N 305.397 2.417 0 40 DEAB C[C@@H](CNc1ccccc1)NC(=O)c1ccc(-n2cnnc2)cc1 89901400 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2.112 0 40 DEAB CC(C)=CCOc1cccc(C(=O)N[C@H]2CCC(=O)NC2)c1 96426351 ZEQREJSCYNPUOS-AWEZNQCLSA-N 302.374 2.040 0 40 DEAB CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCN(C2CCCC2)C1 96440576 DZTYNMMPUMOEIC-VNQPRFMTSA-N 309.454 2.260 0 40 DEAB COC[C@@H](O)CNC(=O)Nc1ccc2c3c(cccc13)CC2 96410599 CLXKTFZPFUQZIY-ZDUSSCGKSA-N 300.358 2.067 0 40 DEAB COc1ccc(OC)c2[nH]c(C(=O)Nc3nncs3)cc12 96116610 XNRZYROSKRPVJC-UHFFFAOYSA-N 304.331 2.289 0 40 DEAB CC(C)(C)c1cc(C(=O)N2CCO[C@@H](c3ccncc3)C2)[nH]n1 257241953 IAJPVQMJLKPRLN-CQSZACIVSA-N 314.389 2.316 0 40 DEAB COc1ccc(C2(C(=O)N3C(=N)O[C@@H]4CSC[C@H]43)CC2)cc1 257206501 BDTSHYYSRQIVCV-CHWSQXEVSA-N 318.398 2.004 0 40 DEAB Cc1onc(C(C)C)c1C(=O)N1CCOC[C@@H]1c1ccn[nH]1 257338180 YWIMACBJQZORJF-GFCCVEGCSA-N 304.350 2.043 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccc(C)nc2)[C@H](c2ccccc2)C1 257289420 PYNKZMQLCJAZDX-SFHVURJKSA-N 323.396 2.436 0 40 DEAB O=C(c1ccnc(F)c1)N1CC[C@@]2(CCCN2CC2CC2)C1 585099701 YOPMZCNTXNDSKU-KRWDZBQOSA-N 303.381 2.311 0 40 DEAB 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COC(=O)C1(C(=O)NC[C@H]2C[C@@]23CCCc2ccccc23)CC1 97146557 HDOLQEUTTRXRKI-KUHUBIRLSA-N 313.397 2.350 0 40 DEAB CN1[C@@H]2CC[C@@H](OC(=O)[C@@H](CO)c3ccccc3)C[C@H]1CC2 5525731 MNFKNWZDZOBKJX-HZMVEIRTSA-N 303.402 2.321 0 40 DEAB CCOC(=O)COc1c(Cl)cc(C(=O)O)cc1OCC 12394220 LRZLGUZVDHSWNM-UHFFFAOYSA-N 302.710 2.379 0 40 DEAB CCn1cncc1C(=O)N1CCC([C@H]2CCCCN2C)CC1 19747069 VWQNZOHKTUWOJM-OAHLLOKOSA-N 304.438 2.240 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)N[C@@H](C)C1CCC1)CC2 164726929 KSAKZAHZTDYTIX-AEGPPILISA-N 310.438 2.137 0 40 DEAB COc1ccc(-n2nnnc2/C=C\Nc2ccc(O)cc2)cc1 4347802 ZYYGTVAOBQYNJY-KHPPLWFESA-N 309.329 2.459 0 40 DEAB CCCc1nnc(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)O)[nH]1 7342251 NCYCOIHZOMGNJN-VURMDHGXSA-N 324.318 2.476 0 40 DEAB COc1cnc(O[C@@H]2CCN(c3nc(C(C)C)ns3)C2)nc1 2087128979 UAPKAXGPJJVUHS-SNVBAGLBSA-N 321.406 2.118 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@]3(CCN3C(=O)C(C)C)C2)o1 1565553234 PNGXOEBZYHRYSC-QGZVFWFLSA-N 304.390 2.451 0 40 DEAB O=C(C1CC(F)(F)C1)N1CCc2ncnc(C3CC3)c2CC1 2055729804 OELCDXBSMBLKFV-UHFFFAOYSA-N 307.344 2.327 0 40 DEAB COC(=O)c1ccc(C(=O)NCc2cnn3ccccc23)cc1 75162700 KRDBSZSSQOLPAO-UHFFFAOYSA-N 309.325 2.051 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@H](C)OC[C@@H]2C)cc1Cl 30335000 CGHCVHHCORMWOM-UWVGGRQHSA-N 319.810 2.147 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccn(C)c(=O)c1 40496642 MPCXGNFHMYTRGT-UHFFFAOYSA-N 308.740 2.450 0 40 DEAB O=C(CN1CCN(CC(=O)c2ccccc2)CC1)c1ccccc1 20763802 JYZWZUZEXDJDHQ-UHFFFAOYSA-N 322.408 2.370 0 40 DEAB O=c1c(N2CCC[C@@H](NCc3ccccc3)C2)nccn1C1CC1 104368855 FJTXFOBWQFJQDS-MRXNPFEDSA-N 324.428 2.337 0 40 DEAB O=C(COc1ccccc1Cl)NC1CCC(C(=O)O)CC1 37561416 ULGZQWCNCTWISG-UHFFFAOYSA-N 311.765 2.478 0 40 DEAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1 202251 ZCPZZVIAOWYHKX-UHFFFAOYSA-N 318.354 2.241 0 40 DEAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccncc1 905127 ZLINNGOYHDQDFY-UHFFFAOYSA-N 319.434 2.367 0 40 DEAB COc1ccc2c(CC(=O)N3CCC[C@@H](C(=O)O)C3)coc2c1 78706089 AOHKVZIPAZDGFC-LLVKDONJSA-N 317.341 2.307 0 40 DEAB Cc1ccsc1/C=C/C(=O)N1CCN(C[C@@H]2CCCO2)CC1 23625133 UZZCQBZJPUIYSF-RGDDUWESSA-N 320.458 2.393 0 40 DEAB C[C@H](NC(=O)NCc1ccccn1)c1ccc2c(c1)CC(=O)N2 42879402 OUEBHRSUYCSQLO-NSHDSACASA-N 310.357 2.137 0 40 DEAB O=C(N[C@H]1CCSc2ccccc21)N[C@@H]1CCCCNC1=O 43167545 QAJICXKUWVVWJK-QWHCGFSZSA-N 319.430 2.191 0 40 DEAB CCCCn1nnnc1SCC(=O)Nc1ccc(OC)cc1 4882945 MBHRENDWBPARKA-UHFFFAOYSA-N 321.406 2.213 0 40 DEAB COC[C@@](C)(CNC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C 72283564 SATODSPJSFGQMB-QGZVFWFLSA-N 314.470 2.496 0 40 DEAB CC1(C)NC(=O)N(Cc2coc(-c3cccc(F)c3)n2)C1=O 26777075 KBMFYUCUBRYACV-UHFFFAOYSA-N 303.293 2.311 0 40 DEAB CC(C)CCNC(=O)c1ccc(NS(C)(=O)=O)cc1Cl 20488407 ZCGZFLLYBMKXEK-UHFFFAOYSA-N 318.826 2.487 0 40 DEAB c1cnn(-c2cncc(NCCc3ccc4c(c3)OCO4)n2)c1 58077468 FXOBWBZQQOASPK-UHFFFAOYSA-N 309.329 2.046 0 40 DEAB CCc1ccc(CC)c(C(=O)Cn2cnc3c(cnn3C)c2=O)c1 26171212 OVVYXKGMMYEIFA-UHFFFAOYSA-N 324.384 2.138 0 40 DEAB C[C@H](Cn1cccn1)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 97162727 PTIFPDYWHCJTHK-KGLIPLIRSA-N 308.426 2.261 0 40 DEAB COc1cc([C@H](C)NS(=O)(=O)c2ccc(N)cc2)ccc1F 97114604 KWZKKRYRNWPALM-JTQLQIEISA-N 324.377 2.456 0 40 DEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)OCC(F)F)c1 58283550 SOUNSDQZADJFNN-UHFFFAOYSA-N 300.261 2.025 0 40 DEAB Cn1ccnc1COC(=O)c1c[nH]nc1-c1ccc(F)cc1 97147580 NQXGPVPFDKOKEW-UHFFFAOYSA-N 300.293 2.306 0 40 DEAB CN(C)[C@H](CNC(=O)NCc1ccccn1)c1ccsc1 44946307 ZWRQCFGEZGVVPG-CQSZACIVSA-N 304.419 2.245 0 40 DEAB Cc1nc(CN(C)C(=O)c2ccnc(-n3ccnc3)c2)cs1 58343255 UNURCASIRRFNGI-UHFFFAOYSA-N 313.386 2.304 0 40 DEAB Cc1nc(/C=C/C(=O)Nc2cnn(C[C@H]3CCCO3)c2)cs1 58307148 TZANJUJECMKZKQ-ISZGNANSSA-N 318.402 2.479 0 40 DEAB O=c1n(CCN2CCC[C@@H]2c2ccsc2)nc2ccccn12 48300560 XPEZUXULSMKVJV-CQSZACIVSA-N 314.414 2.395 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 12895461 PMCPSETUZFFITH-ZDUSSCGKSA-N 300.358 2.424 0 40 DEAB biogenic O=C(O)CN1CC=C(c2cnn(-c3ccc(F)cc3)c2)CC1 45795989 DQZLTOXHJDKCJK-UHFFFAOYSA-N 301.321 2.185 0 40 DEAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCOCC1 29486918 HJTXAUHNTKNTSD-OAHLLOKOSA-N 324.380 2.052 0 40 DEAB COc1ccc(-c2cc(C(F)(F)F)nc(NN)n2)cc1OC 2537728 KTMZBTMNHJNKQK-UHFFFAOYSA-N 314.267 2.465 0 40 DEAB Cn1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1 2776635 WLCCKGNSWTZMPO-UHFFFAOYSA-N 313.283 2.152 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1F 13011779 IBMGHHPXTQIDDH-UHFFFAOYSA-N 300.333 2.294 0 40 DEAB Cn1nccc1C(=O)N1CCn2c(-c3ccsc3)cnc2C1 306124962 CDIZKJWRKVMLHX-UHFFFAOYSA-N 313.386 2.001 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 13260800 KOPVNRDADVWBHT-CMPLNLGQSA-N 323.776 2.214 0 40 DEAB CN(Cc1cc2ccccc2o1)C(=O)NCCC[S@](C)=O 83229686 CKKZRRCOKCTYMD-OAQYLSRUSA-N 308.403 2.343 0 40 DEAB NC(=O)[C@H]1CN(c2nc(-c3ccccc3Cl)cs2)CCO1 96009704 GSENFZOTPSNDKH-GFCCVEGCSA-N 323.805 2.154 0 40 DEAB NC(=O)COc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 9253341 FCHATYMTPNCDBP-DZGCQCFKSA-N 316.401 2.203 0 40 DEAB CCOC(=O)CSc1nc2ccccc2c2nc(C)nn12 6206233 WDZXSSHLQJNDDR-UHFFFAOYSA-N 302.359 2.241 0 40 DEAB CC(C)(C)c1ncc(C(=O)NCCNc2ncccn2)s1 65402349 ZFLYNYVYGPUZFE-UHFFFAOYSA-N 305.407 2.073 0 40 DEAB CCn1cnnc1C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)CC1 65623730 BSFNDXFSHSCYCS-UONOGXRCSA-N 314.389 2.401 0 40 DEAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCC(C(N)=O)CC1 20490173 KJKOIINSEYIXCX-HNNXBMFYSA-N 318.417 2.185 0 40 DEAB O=C1CC[C@H](C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)CN1 110574672 CUDHLFWVYWBVLG-UVPYHEFZSA-N 304.434 2.330 0 40 DEAB CC(C)(C)OC(=O)NCCCNC(=O)c1ccc2c(c1)OCO2 71799981 DHKSGUKPAOJXPM-UHFFFAOYSA-N 322.361 2.060 0 40 DEAB CS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2c[nH]c(C(C)C)n2)C1 110656053 FYUCQZOCJYDUJY-WDEREUQCSA-N 317.480 2.438 0 40 DEAB CCCCn1nc(C)c(CNC[C@H]2CN(C)CCO2)c1Cl 69389917 RUXIMNCNNNESCR-ZDUSSCGKSA-N 314.861 2.065 0 40 DEAB CC(C)Oc1ccccc1CC(=O)N(C)CC(=O)NC(C)(C)C 69351638 IHBVVGHGWSTLOM-UHFFFAOYSA-N 320.433 2.389 0 40 DEAB O=C(c1cc(C2CC2)[nH]n1)N1CCCN(c2nccs2)CC1 71830679 QDRGZEZRMZDCLG-UHFFFAOYSA-N 317.418 2.096 0 40 DEAB O=C(CCOCC(F)(F)F)N[C@H]1CCN(c2ccccc2)C1 71882841 HBUGTVPEYPMHKH-LBPRGKRZSA-N 316.323 2.351 0 40 DEAB O=C(CN1CCC[C@@H]1Cn1cccn1)Nc1ccc(Cl)cn1 71875535 KXMLJVCSFYPNSN-CYBMUJFWSA-N 319.796 2.035 0 40 DEAB C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1ccccc1Cl 71830136 CZSYAVAKTSLBDS-RYUDHWBXSA-N 324.808 2.221 0 40 DEAB Cc1cccc(C2(C(=O)NCC(C)(C)C(N)=O)CCCC2)c1 69518573 MFQAXGPKXLRTQI-UHFFFAOYSA-N 302.418 2.435 0 40 DEAB C[C@H](NCCCS(=O)(=O)c1ccccc1)[C@H](C)n1cccn1 69951289 VFUHPACGHFQOEK-GJZGRUSLSA-N 321.446 2.286 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C)OC(=O)c2cc(C)no2)cc1 18598017 QQMPTNVPOOZLHA-LBPRGKRZSA-N 302.330 2.153 0 40 DEAB C[C@@H]1CN(C(=O)NCCNC(=O)C(C)(C)C)[C@@H]2CCCC[C@H]12 97083219 AQAHYVXCYOKADL-MGPQQGTHSA-N 309.454 2.369 0 40 DEAB CCN(Cc1nc(-c2ccc(S(C)(=O)=O)cc2)no1)C1CC1 97085366 GOEINJUBOZLYBT-UHFFFAOYSA-N 321.402 2.124 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CCC(F)(F)F)C2)n1 72299456 KJEBVDUADPZSPL-NSHDSACASA-N 304.316 2.401 0 40 DEAB Cc1cc(=O)c(C(=O)NCC2(c3ccc(F)cc3F)CC2)c[nH]1 95446825 QWJXAJRLPCWLSQ-UHFFFAOYSA-N 318.323 2.423 0 40 DEAB CCOc1ccc(NC(=O)NC[C@H]2COC(C)(C)O2)cc1F 84810507 HXBDXFULWSZCMP-NSHDSACASA-N 312.341 2.497 0 40 DEAB Cc1cc(=O)c(C(=O)NC[C@H]2C[C@@]23CCc2ccccc23)c[nH]1 88198881 PZDLJYVQMMHLDU-KUHUBIRLSA-N 308.381 2.317 0 40 DEAB Cc1sc(=O)n(CCC(=O)N2CCn3cccc3[C@H]2C)c1C 75139656 XNTQHCQIFWFOML-GFCCVEGCSA-N 319.430 2.322 0 40 DEAB C[C@H](OCC1CC1)C(=O)N(C)c1ccc(OCCN(C)C)cc1 75136771 HAIKVMVYNHNMAI-AWEZNQCLSA-N 320.433 2.405 0 40 DEAB c1ccc(-n2nnnc2N[C@@H]2CCO[C@]3(CCSC3)C2)cc1 89857536 QILCRRLFANZQOO-IUODEOHRSA-N 317.418 2.129 0 40 DEAB C[C@@](O)(CNC(=O)[C@H]1Cc2ccccc2O1)c1cccs1 76084474 QEEMQRFBPBYSTH-CZUORRHYSA-N 303.383 2.076 0 40 DEAB C[C@H]1CN(CC(=O)Nc2ccncc2)[C@@H](c2ccccc2)CO1 110646554 INTKZBBYDXLRPW-WMLDXEAASA-N 311.385 2.482 0 40 DEAB CC(C)N1CC[C@@H](NC(=O)CO)[C@H]1c1ccc(Cl)c(F)c1 110709950 LAENHQULVLWBOP-UKRRQHHQSA-N 314.788 2.111 0 40 DEAB COc1ccc(OC)c(NC(=O)N[C@@H](C)c2cnn(C)c2)c1 27919333 SENAOVHRSZZQRI-JTQLQIEISA-N 304.350 2.320 0 40 DEAB CC(C)CN(CC(=O)O)S(=O)(=O)c1cc2ccccc2o1 547903016 JUKWWUDATHSAEY-UHFFFAOYSA-N 311.359 2.164 0 40 DEAB CC(=O)N1CCC[C@H](C(=O)N[C@@H](C)c2nc3ccccc3o2)C1 72245057 UVNQVYREXGFQQS-AAEUAGOBSA-N 315.373 2.264 0 40 DEAB COc1cccc(C(=O)OCC(=O)Nc2ncccc2C)c1 409207124 PMGABWKGSPOVTE-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB CC(C)CCNC(=O)c1ccc(NS(C)(=O)=O)c(Cl)c1 38752937 OTXJJGPFPAWVEN-UHFFFAOYSA-N 318.826 2.487 0 40 DEAB CC[C@@H]1c2ccsc2CCN1S(=O)(=O)c1cn(C)cn1 72351120 HSHYJSNWGOXRRC-LLVKDONJSA-N 311.432 2.180 0 40 DEAB COc1ccc([C@@H]2[C@H](N)C(=O)N2Cc2ccccc2)cc1OC 72228122 KYZGDAIIXDYSLI-DLBZAZTESA-N 312.369 2.115 0 40 DEAB CN(C(=O)c1cccc(F)c1)[C@H]1CCCC[C@H]1S(C)(=O)=O 76501919 YPPGHLDUKBYFGE-UONOGXRCSA-N 313.394 2.254 0 40 DEAB CN1CCC[C@@H]1c1ccnc(C(=O)NCC2CCOCC2)c1 72387069 RXXIVLVSLVSMND-MRXNPFEDSA-N 303.406 2.005 0 40 DEAB CC(=O)c1ccc(O)c(-c2cc(C(C)=O)c(N)c(N)c2O)c1 223751534 JCQLWQMROHIXHZ-UHFFFAOYSA-N 300.314 2.334 0 40 DEAB CCn1ccc(NC(=O)c2cc(OC)nn2-c2ccccc2)n1 227162528 GLCNYKIOSXKOKK-UHFFFAOYSA-N 311.345 2.350 0 40 DEAB O=C(Nc1ccc(OC(F)F)cn1)Nc1cc2n(n1)CCCC2 570488753 IGBQECVKJCJYIT-UHFFFAOYSA-N 323.303 2.860 0 40 DEAB O=C(NCC[S@](=O)c1ccccc1)N1C[C@H]2CC=CC[C@H]2C1 96440372 QTGPPPCMUNNYAX-ZCCHDVMBSA-N 318.442 2.402 0 40 DEAB CC(C)Oc1nccnc1N1CCC[C@H](NC(=O)C(C)C)C1 96503047 LXUWGMGMXASHIH-ZDUSSCGKSA-N 306.410 2.005 0 40 DEAB Cc1ccc(F)cc1NC(=O)C(=O)NCCc1c(C)noc1C 96404759 LETXMXKVQNCUMO-UHFFFAOYSA-N 319.336 2.036 0 40 DEAB c1ccc(CN2CC[C@]3(C[C@H](Nc4ncccn4)CO3)C2)cc1 96219343 RDRFNLKMUOMENY-WMZOPIPTSA-N 310.401 2.322 0 40 DEAB CC(=O)N1C[C@@H](C)CN(C(=O)[C@@H]2CCCOC2)c2ccccc21 96432622 DAQAVCCBCUHCNP-UKRRQHHQSA-N 316.401 2.449 0 40 DEAB O=C(CCc1ccc(Br)cc1)NCC1(O)CCC1 96451334 CCVGCAUQMJDVNX-UHFFFAOYSA-N 312.207 2.413 0 40 DEAB COc1cccc(NCc2nc([C@H](N)c3ccccc3)n[nH]2)c1 95533424 GNEMZLFPDOVIHF-MRXNPFEDSA-N 309.373 2.474 0 40 DEAB CCCOc1ccc(Cl)cc1C(=O)N[C@H]1CC[S@@](=O)C1 96454973 KSSGIKNGXCQIRE-YBTHPKLGSA-N 315.822 2.380 0 40 DEAB CSC[C@@H](C)C(=O)N[C@H](C)C1(N2CCOCC2)CCCC1 96449724 XLYHFZXKTCHTCU-ZIAGYGMSSA-N 314.495 2.135 0 40 DEAB CCc1ncc(C(=O)N2c3ccccc3C[C@@H]2C(=O)OC)s1 96404128 PEHIVLRFBMDGIS-GFCCVEGCSA-N 316.382 2.450 0 40 DEAB COc1ccncc1NC(=O)[C@H](C)N1CCc2ccccc2C1 96412365 NOGFSXQOQIJBTF-ZDUSSCGKSA-N 311.385 2.476 0 40 DEAB COc1cccc(C(=O)N2CCC(C(=O)NCC(C)C)CC2)c1 243381956 MHGHWFQTCPWSHB-UHFFFAOYSA-N 318.417 2.320 0 40 DEAB Cc1cc2nccc(C3CCN(C(=O)c4ccno4)CC3)n2n1 257223347 DWYDTFQAGOHNOZ-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB O=C(c1cnccn1)N1CCC(c2cccc3nccn23)CC1 257242444 ICMPWIVXVZBQEN-UHFFFAOYSA-N 307.357 2.144 0 40 DEAB O=C(c1ccc2c(c1)CCC2)N1CCO[C@H](c2cnccn2)C1 257336877 YQKAKHAPMLZONA-KRWDZBQOSA-N 309.369 2.179 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCc1nccnc1-c1ccco1 390829152 DCQBEGADQJBAIQ-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB CN(Cc1nnc(C2CC2)n1C)C(=O)[C@@H]1C[C@@H]1c1ccccc1 73253100 NHIWFIVNQOBFEE-HUUCEWRRSA-N 310.401 2.455 0 40 DEAB Cc1cc(C(=O)O[C@@H](C)c2nnc(C)o2)c2c(C)noc2n1 62276738 FRKAOIIRBYCFQR-QMMMGPOBSA-N 302.290 2.449 0 40 DEAB COCCn1ccc2cc(NC(=O)c3ccc(=O)[nH]c3)ccc21 58228594 UWAALUUXKRTPJO-UHFFFAOYSA-N 311.341 2.228 0 40 DEAB COc1ccccc1C1(C(=O)N2C[C@@H](C)[C@@H](N(C)C)C2)CC1 76050823 FNZSOHORXYKYBB-HIFRSBDPSA-N 302.418 2.135 0 40 DEAB COc1cc(C(=O)N2CCC(n3ccnn3)CC2)ccc1Cl 97032051 JSYHOXQFCDFTRQ-UHFFFAOYSA-N 320.780 2.417 0 40 DEAB Nc1nonc1-c1noc(CSc2nc3ccccc3o2)n1 5705082 CCYYLLWEVXUVDY-UHFFFAOYSA-N 316.302 2.135 0 40 DEAB CC(C)c1ccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)cc1 5231148 AHSBJGJCIWJIHG-BARDWOONSA-N 301.342 2.403 0 40 DEAB COc1cccc(/C=C/C(=O)N2C[C@H](C)O[C@H](C)C2)c1OC 12635309 FQQBRCHGWQKNQX-UVHIWXSVSA-N 305.374 2.353 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)NCc2ccsc2)c(C)c1 13725012 BHUVDNJQJMSRIO-UHFFFAOYSA-N 324.427 2.493 0 40 DEAB CCOc1ccc(NCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 104550496 UUUACIGVNXGBSY-GASCZTMLSA-N 300.358 2.406 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@@H]1C(=O)Nc1cccc2nsnc12 585149528 CLBWAPZXFHJINX-LDYMZIIASA-N 318.402 2.038 0 40 DEAB Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc1ccco1 5870707 ZPDADRCALRRYHR-UHFFFAOYSA-N 314.341 2.078 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(F)c1F 15028129 WQKCQIWFYOEMKV-HNNXBMFYSA-N 302.324 2.377 0 40 DEAB CO[C@@H]1CCN(C(=O)c2csnn2)C[C@H]1Cc1ccccc1 1565542985 SOVZDHVHDSMNEC-UKRRQHHQSA-N 317.414 2.258 0 40 DEAB Cc1nc2sccn2c(=O)c1NC(=O)c1cccnc1Cl 8931682 MNRDEAVWRAQLDA-UHFFFAOYSA-N 320.761 2.365 0 40 DEAB Cc1ccc(OCC2CCN(Cc3cc(C)on3)CC2)nn1 1775966344 ZEPSOOCKIUZHGD-UHFFFAOYSA-N 302.378 2.372 0 40 DEAB CSc1ccc(C(=O)N2CC(Nc3cnccn3)C2)cc1 1775973280 DOTKAHDPARSSLJ-UHFFFAOYSA-N 300.387 2.135 0 40 DEAB COC(=O)C(NC(=O)c1ccc(OC)cc1)=C(Cl)Cl 28293782 SLTKIBMVKZAITP-UHFFFAOYSA-N 304.129 2.245 0 40 DEAB O=C(Cc1ccsc1)NC[C@H](c1ccco1)n1cccn1 575613320 FOSQISXZLDSOPB-CYBMUJFWSA-N 301.371 2.486 0 40 DEAB Cc1ccc(C(=O)NC[C@H]2SCCc3ccccc32)c(=O)[nH]1 96454670 WYNYPCURKGMQRQ-OAHLLOKOSA-N 314.410 2.444 0 40 DEAB Cc1nc(CC(=O)NC[C@H]2CCCN3CCCC[C@H]23)cs1 36569320 GJWGDOVQSNDZNN-UKRRQHHQSA-N 307.463 2.375 0 40 DEAB CNC(=O)N1CC=C(c2c(OC)cc(OC)cc2OC)CC1 40477656 UYQFPFKTGNYJJD-UHFFFAOYSA-N 306.362 2.141 0 40 DEAB O=C(NCCc1ccccn1)c1ccc(N2CCCC2=O)cc1 40459752 QNWODVKAVXJAST-UHFFFAOYSA-N 309.369 2.181 0 40 DEAB COc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)cn1 31815313 WJRGLIRXMPAUSX-UHFFFAOYSA-N 309.329 2.232 0 40 DEAB Cc1cccnc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1F 40513971 ZXPCCEPKMQFRDV-CYBMUJFWSA-N 316.336 2.267 0 40 DEAB O=C(NCCn1ccnc1)Nc1cccc(Br)c1 40525303 SDEADNXIAIJWKY-UHFFFAOYSA-N 309.167 2.467 0 40 DEAB Cc1cc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)n(C)n1 40504823 FYYMACHGGFCVTK-UHFFFAOYSA-N 312.373 2.037 0 40 DEAB O=C(COC1CCCC1)NCc1ccc(C2OCCO2)cc1 51378188 BDUIBDYGFQUVEK-UHFFFAOYSA-N 305.374 2.307 0 40 DEAB O=c1n(Cc2cccc(Br)c2)nc2ccccn12 42240082 YYPGDZZQTOPPMY-UHFFFAOYSA-N 304.147 2.307 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc(Br)cn1 71280142 FEOIIGRMOBHIIJ-IUCAKERBSA-N 313.151 2.139 0 40 DEAB C[C@H]1C[C@H](NC(=O)c2cnc3n(c2=O)CCS3)CC(C)(C)C1 211282 SYFCSDFSGPBAGI-QWRGUYRKSA-N 321.446 2.294 0 40 DEAB O=C(CNC(=O)NCc1ccccc1)Nc1cccc(F)c1 256001 KYIUHHUGCGERCI-UHFFFAOYSA-N 301.321 2.264 0 40 DEAB CC[C@@H]1CN(C(=O)NCCc2nccn2C(F)F)C[C@@H](C)O1 84735509 GWQCQWTXBPJVSC-GHMZBOCLSA-N 316.352 2.030 0 40 DEAB CC[C@H](C)c1csc(NC(=O)N[C@@H](C)Cn2cncn2)n1 78938356 JNHZTPJIPAWIQM-UWVGGRQHSA-N 308.411 2.458 0 40 DEAB COc1ccc(Cc2cc3c(cc2OCCO)OCO3)cc1 1582324 LQKOHSAIFVLCDT-UHFFFAOYSA-N 302.326 2.386 0 40 DEAB CCOC(=O)C1(NS(=O)(=O)c2cccs2)CCCCC1 42745679 ZKACXZXBXSOXET-UHFFFAOYSA-N 317.432 2.292 0 40 DEAB Cc1nc2sccn2c1[C@@H]1NC(N)=Nc2nc3ccccc3n21 12547659 RDVMKCGSIBNJAN-GFCCVEGCSA-N 323.385 2.150 0 40 DEAB NC(=O)c1ccccc1OCC(=O)N[C@@H]1CCCc2ccccc21 4341184 DMSJAMSSGCXLTC-MRXNPFEDSA-N 324.380 2.358 0 40 DEAB Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(N(C)C)nn1 106715434 VKRNGLMWLTXAHE-UHFFFAOYSA-N 322.372 2.289 0 40 DEAB O=C(OCc1nc2ccccc2o1)c1ccccc1-n1cnnn1 21339378 PUEKGKLAVSGKHD-UHFFFAOYSA-N 321.296 2.161 0 40 DEAB CCN1C(=O)N[C@@H](c2c(F)cccc2F)C(C(=O)OC)=C1C 8323135 ZIOQDQRUZRHTRJ-CYBMUJFWSA-N 310.300 2.498 0 40 DEAB COCCSCC(=O)NCCOc1ccc2c(c1)CCC2 56009798 GGYDUOZOLDTOFL-UHFFFAOYSA-N 309.431 2.050 0 40 DEAB CCCCOC(=O)c1ccc(N[C@@H]2C=CS(=O)(=O)C2)cc1 1771383 DGNYKCZWUIBNPX-CQSZACIVSA-N 309.387 2.366 0 40 DEAB CCOC(=O)C(=CNc1ccc(OC)cc1OC)C(=O)OCC 3176907 RNEPZROYROWQGB-UHFFFAOYSA-N 323.345 2.126 0 40 DEAB CCOC(=O)[C@H](C)S(=O)(=O)/C(=C\N1CCCCC1)CC 104152203 OLHFLOJRNDCFFC-KLDSGFLGSA-N 303.424 2.090 0 40 DEAB Cc1ccnc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 27648666 WSWXZTWOGQGFAJ-UHFFFAOYSA-N 304.371 2.187 0 40 DEAB CN(Cc1ccccc1)C(=O)CCNC(=O)Cc1cccs1 58289936 NITYYPKAJZHVQP-UHFFFAOYSA-N 316.426 2.456 0 40 DEAB CCn1nc(C)c2nc(C)nc(Nc3cccc(C(N)=O)c3)c21 57312563 UATKOQGYCULOOV-UHFFFAOYSA-N 310.361 2.306 0 40 DEAB COc1ccc([C@H]2SCC(=O)N2C[C@H]2CCCO2)cc1OC 27754889 VQCNMWQIIHTQMY-MLGOLLRUSA-N 323.414 2.457 0 40 DEAB CCn1c(C)cc(C(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1C 102903026 IOCYRAQMLUWMOX-ZIAGYGMSSA-N 314.385 2.259 0 40 DEAB NC(=O)[C@@H](NCCc1cnn(-c2ccccc2)c1)c1ccccc1 36392646 NPZHSOXZIZKJBG-SFHVURJKSA-N 320.396 2.231 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NCc1ccc2c(c1)OCO2 28415499 NQMQNRAZDDIDIQ-LLVKDONJSA-N 302.330 2.439 0 40 DEAB CC(C)Oc1ccc(C(=O)NCCc2nnc3ccccn23)cc1 11546052 KLNBQJDQVMGMRG-UHFFFAOYSA-N 324.384 2.489 0 40 DEAB C[C@H](C(=O)NC1CC1)S(=O)(=O)Cc1ccc(F)cc1Cl 46106241 DJCRYTQTCHZVMJ-MRVPVSSYSA-N 319.785 2.061 0 40 DEAB COc1ccc(CCNC(=O)NCc2ccncc2)cc1OC 48302624 MLNSSJSGPOOZDP-UHFFFAOYSA-N 315.373 2.141 0 40 DEAB CC(C)c1cc(C(=O)NCc2ccc(N3CCCC3)nc2)n[nH]1 48375414 BDPGYVCJWFHRDV-UHFFFAOYSA-N 313.405 2.458 0 40 DEAB O=C(C1CC1)N1C[C@H]2CCC[C@H](C1)C2(O)c1cccnc1F 100769231 LHROIIDGKMLEDB-CHWSQXEVSA-N 304.365 2.077 0 40 DEAB COc1ccc(OC)c(Nc2nc3c(c(=O)[nH]2)CCCC3)c1 11903443 FIUQROLXBVOJJV-UHFFFAOYSA-N 301.346 2.410 0 40 DEAB Cc1nc(CN2CC[C@]3(CCC[C@@H]3C(=O)N3CCCC3)C2)c[nH]1 108532429 GXJHQNWHKRKBQD-SJLPKXTDSA-N 316.449 2.333 0 40 DEAB CN(Cc1cc2ccccc2o1)C(=O)NCCC[S@@](C)=O 83229689 CKKZRRCOKCTYMD-NRFANRHFSA-N 308.403 2.343 0 40 DEAB COc1ccccc1NC(=O)c1cc(F)ccc1-n1cnnn1 12388890 PHGUQAKNUQBSQM-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB Cc1nc(CCNC(=O)N[C@@H](C)c2cnn(C)c2C)cs1 48484527 YZBTUNHGGBTLMJ-VIFPVBQESA-N 307.423 2.096 0 40 DEAB Cc1nc([C@@H]2CN(C(=O)Cc3ccc(Cl)cc3)CCO2)no1 96000783 BNGNBIPWRKSIOH-ZDUSSCGKSA-N 321.764 2.174 0 40 DEAB O=C(c1ccc2c(c1)CCCC2)N1CCOC[C@@H]1c1ncon1 95453004 FFWFPMLDHGDJFI-OAHLLOKOSA-N 313.357 2.162 0 40 DEAB COc1ccc(-c2c(C)nn3c2nnc2c(O)nccc23)cc1 22610726 ODVPLDWZSXHHTN-UHFFFAOYSA-N 307.313 2.362 0 40 DEAB O=C(NC[C@H](O)C1CCOCC1)C1(Cc2ccccc2)CCC1 95411835 RBWGRVOEJOZWFP-KRWDZBQOSA-N 317.429 2.303 0 40 DEAB Cc1cc(OCc2nn[nH]n2)c2c3c(c(=O)oc2c1)CCCC3 4295086 TVPKALLWKKKSBI-UHFFFAOYSA-N 312.329 2.072 0 40 DEAB C[C@@H](NC(=O)CCCc1nc(C(C)(C)C)no1)[C@H]1CCCO1 27902960 NCXGQCWEZVUYFB-VXGBXAGGSA-N 309.410 2.374 0 40 DEAB CCOCCCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2 65540475 NFMZXTLPZOCKCJ-UHFFFAOYSA-N 317.389 2.364 0 40 DEAB COC(=O)[C@]1(C)CCN(Cc2ccc(N3CCCC3)nc2)C1 93813670 RYXPLIKSNUOPAE-QGZVFWFLSA-N 303.406 2.067 0 40 DEAB Cc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1 9470459 PMGWRNKKACLJQO-UHFFFAOYSA-N 320.400 2.297 0 40 DEAB Cn1cc(N2CCC[C@H](N[C@H]3CC(C)(C)OC3(C)C)C2)cn1 95423287 IZVYZKKSWMLDOH-ZFWWWQNUSA-N 306.454 2.325 0 40 DEAB O=C1CCc2cc(S(=O)(=O)Nc3ccccc3O)ccc2O1 4970385 GMQVMXFOBNKKKW-UHFFFAOYSA-N 319.338 2.045 0 40 DEAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)COC(=O)C1CCC1 7122453 YUHXQFXRUUCNBT-NSHDSACASA-N 316.357 2.094 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCCCc2cn[nH]c2C)C12CCC2 80567978 DLUTWKGTXGKFOX-CABCVRRESA-N 320.437 2.298 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C1 71827148 ZGKQQWSWDKITLL-AWEZNQCLSA-N 316.405 2.296 0 40 DEAB COC(=O)CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 68717462 ZVPORPJFRNTLCK-IUCAKERBSA-N 302.157 2.386 0 40 DEAB O=C(CN1CCCCC[C@@H]1c1ccco1)NC[C@@H]1CCCO1 71915031 MBKHBSAIDZCRAX-LSDHHAIUSA-N 306.406 2.492 0 40 DEAB CCOC(=O)/C=C/c1ccc(NC(=O)C2=COCCO2)cc1 8328645 GMXBSDDOQBZFMX-VMPITWQZSA-N 303.314 2.090 0 40 DEAB Cc1cccn2cc(CNc3ncnc4nc(N)ccc34)nc12 91628260 MRFLZIVSKOAAKY-UHFFFAOYSA-N 305.345 2.175 0 40 DEAB CCn1c(=O)[nH]c(=O)c2ccc(-c3ccc(Cl)cc3)nc21 8428702 PKWGQSLDPHGZGU-UHFFFAOYSA-N 301.733 2.425 0 40 DEAB COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@H](N3CCCC3)C2)c1 83973251 WSSLODVWLBAHSB-RYQLBKOJSA-N 314.429 2.495 0 40 DEAB CCc1nc(CCNC(=O)NCc2cccnc2)sc1C 69564842 JOVKJPDBAXSJMP-UHFFFAOYSA-N 304.419 2.451 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(CC[S@@](=O)c2ccccc2)C1 69588516 SVHMEHQHAMIKMQ-NYHFZMIOSA-N 322.474 2.031 0 40 DEAB O=C(CNC(=O)c1cc2c(s1)CCCC2)Nc1ccccn1 69593456 XTVWSOMUMZPOGA-UHFFFAOYSA-N 315.398 2.390 0 40 DEAB CCN1CCO[C@H](CNCc2csc(-c3ccccn3)n2)C1 69774107 ZXIMSPLOYAINGO-CQSZACIVSA-N 318.446 2.015 0 40 DEAB C[C@@H](CCC(=O)O)NC(=O)c1sccc1Br 69837575 RDEDHGFYEMAVLP-LURJTMIESA-N 306.181 2.494 0 40 DEAB C[C@@H]1CCc2c(sc3ncnc(N4CCNC(=O)CC4)c23)C1 8883858 NQVIZZIDUSQRRO-SNVBAGLBSA-N 316.430 2.142 0 40 DEAB Cc1ccccc1[C@@H]1[C@@H](C(=O)O)CCC(=O)N1C[C@@H]1CCOC1 72275749 PMQIUZOFXICROE-JLJPHGGASA-N 317.385 2.396 0 40 DEAB CCn1cnnc1CCNC(=O)c1cc2c(C)c(C)ccc2[nH]1 72286842 GTOQCGLEJFBZNY-UHFFFAOYSA-N 311.389 2.369 0 40 DEAB CCc1nsc(Nc2cnn(CC(=O)NC3CCCC3)c2)n1 92628055 SPJVIRMUAMIHNZ-UHFFFAOYSA-N 320.422 2.099 0 40 DEAB C[C@@H]1[C@@H](C(=O)O)CCN1C(=O)c1ccc(Br)cc1 92917846 QLAZGSOAICPVJU-KCJUWKMLSA-N 312.163 2.384 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3cscn3)C2)c1 71185998 VTSZYUVYAYETNA-CQSZACIVSA-N 304.419 2.444 0 40 DEAB COC(=O)c1cccnc1N1CCO[C@@H](c2ccc(C)o2)C1 97140814 YMFTZAYXVPUURC-CQSZACIVSA-N 302.330 2.348 0 40 DEAB CCc1ccc([C@@H](COC)NC(=O)c2cc(C(N)=O)cs2)o1 76022846 KOPRQQZEFZNVLZ-LLVKDONJSA-N 322.386 2.120 0 40 DEAB C[C@H](N[C@H]1CCN(S(C)(=O)=O)C[C@H]1C)c1ccc(F)cc1 76057154 WQRHHYKGCTUADQ-XUJVJEKNSA-N 314.426 2.146 0 40 DEAB COc1ccc(C(=O)N2CCC[C@]3(CC2)CN(C)CCO3)cc1 306131888 KSCIMHRKYGJYOL-SFHVURJKSA-N 318.417 2.022 0 40 DEAB c1cc(CN2CCC[C@H](c3nnc(-c4cnccn4)o3)C2)ccn1 72390051 CZEPXXZXYVYCHT-AWEZNQCLSA-N 322.372 2.301 0 40 DEAB CC(C)CCn1nc2n(c1=O)C(=O)N(c1ccc(F)cc1)C2 1547200934 CCCJWRITYBMMTI-UHFFFAOYSA-N 304.325 2.218 0 40 DEAB CCn1cc([C@@H]2CN(C(=O)NCCC3=CCCC3)CCO2)cn1 189661840 WWXMURYHJVCNTF-INIZCTEOSA-N 318.421 2.486 0 40 DEAB COc1cccc(CN2CCC[C@]3(CNCC(F)(F)C3)C2=O)c1 1565504857 VHCDNZPUTPEWSP-INIZCTEOSA-N 324.371 2.433 0 40 DEAB Cc1nc([C@H]2CCCN2CC(=O)N(C)Cc2ccsc2)no1 75573059 XLLDEEWLBCOACF-CYBMUJFWSA-N 320.418 2.235 0 40 DEAB C=CC(=O)Nc1ccc(C(=O)N(C)C2CCC(CO)CC2)cc1 1566402585 UTIYMVPWKOCHGV-UHFFFAOYSA-N 316.401 2.434 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C)n2cc(Br)cn2)o1 32611234 SRLXCGYSPGJJOM-VIFPVBQESA-N 312.167 2.424 0 40 DEAB C[C@@H](OC(=O)c1sccc1-n1cnnn1)c1ccccn1 79102050 OAYGBMAVDYGTSE-SECBINFHSA-N 301.331 2.037 0 40 DEAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Cc1cccs1 74261034 QOEUHIHCIIYULG-UHFFFAOYSA-N 310.448 2.484 0 40 DEAB CC(C)c1ccc(N2C(=N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 138909109 FTNFZRYMIMXYDD-QWHCGFSZSA-N 310.444 2.464 0 40 DEAB Nc1nccnc1C(=O)NCCc1c(Cl)cccc1Cl 48919491 MTJIHDTZCIRZKH-UHFFFAOYSA-N 311.172 2.338 0 40 DEAB Cc1cc(C(=O)N2CCCC[C@H]2C(=O)O)nn1-c1ccccc1 136472266 AFCQPZBKWKGMJK-HNNXBMFYSA-N 313.357 2.260 0 40 DEAB Cc1ccc(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c(C)c1 224348197 WDGDEHVUSONLDG-UHFFFAOYSA-N 313.405 2.478 0 40 DEAB COCCN(Cc1ccc(C)o1)[C@@H]1CCCN(C(C)C)C1=O 192622597 KIVWPAKGOFCUIZ-MRXNPFEDSA-N 308.422 2.436 0 40 DEAB Cc1nnc2n1CCC[C@@H]2NCc1ccc(N2CCCC2)nc1 195538752 DWDGCMXACGYABL-HNNXBMFYSA-N 312.421 2.206 0 40 DEAB O=C([C@@H]1CCCN1c1nc2ccccc2[nH]1)N1CCSCC1 96485852 JVPPXCPJICKPAH-AWEZNQCLSA-N 316.430 2.107 0 40 DEAB CCS(=O)(=O)[C@@](C)(Br)C(=O)c1ccccc1 96518621 YPYVVROYXXPOCQ-LLVKDONJSA-N 305.193 2.415 0 40 DEAB O=C(c1ccsc1)N1C[C@H]2CCN(CC3CC3)C(=O)[C@@H]2C1 96249061 DOQRQNOIYBOKDX-TZMCWYRMSA-N 304.415 2.079 0 40 DEAB COC(=O)c1nc(NC(=O)CCc2c(C)n[nH]c2C)sc1C 95474288 YAEPKUAWGNEMRT-UHFFFAOYSA-N 322.390 2.149 0 40 DEAB C[C@H]1c2ncc(Cn3cccn3)n2CCN1Cc1nccs1 96062041 MEYBAMPQPPPSBG-LBPRGKRZSA-N 314.418 2.161 0 40 DEAB O=C(NC[C@@H](CCO)c1ccccc1)[C@H]1COc2ccccc21 96461766 LZPVKAQZFUVDQH-WBVHZDCISA-N 311.381 2.445 0 40 DEAB CCCCO[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)O 236856770 GXVQJGOUFPZTSS-IUODEOHRSA-N 305.374 2.230 0 40 DEAB CC(=O)Nc1ccc(C(=O)Nc2cnn([C@H]3CCOC3)c2)cc1 96123015 HTIUEGUXCXRLPO-HNNXBMFYSA-N 314.345 2.055 0 40 DEAB CCOC[C@@H]1C[C@@]2(COCCN2C(=O)c2ccccc2C)CO1 96240705 RACDJIAUMWCPQP-MAUKXSAKSA-N 319.401 2.032 0 40 DEAB COc1ccc2nc3n(c2c1)[C@@H](CNCc1cccnc1)COC3 96112631 KTQPEVOTYXFPGD-AWEZNQCLSA-N 324.384 2.301 0 40 DEAB biogenic,in-vitro C[C@H](NC(=O)CN1CCCC[C@H]1c1nc[nH]n1)c1cccs1 245554549 HGCCTZKFFROLNT-RYUDHWBXSA-N 319.434 2.271 0 40 DEAB COc1ccc(CN2Cc3ccnn3[C@@H](CCN(C)C)C2)cc1 248075814 BSOBHEOLIISFLM-KRWDZBQOSA-N 314.433 2.400 0 40 DEAB O=C(NCc1cccs1)[C@H]1CN(CC2CC2)Cc2ccnn21 247490547 MGVOGEYYDSWKJH-OAHLLOKOSA-N 316.430 2.028 0 40 DEAB CC(C)c1cc(C(=O)N2CCC[C@]3(C)NCCC[C@@H]23)n(C)n1 257241737 HZKIGQCUHLLAAE-WBVHZDCISA-N 304.438 2.290 0 40 DEAB CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cccnc1 257257454 KPQAUCBOZQRRHG-UIBIWLFHSA-N 313.401 2.086 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)Cc3c(C)nc4ccccn34)C2)n1 257263061 LOFLIKHTBHMVEV-AWEZNQCLSA-N 323.400 2.233 0 40 DEAB COc1ccc(C(=O)N2CCO[C@@H](c3ccnc(C)c3)C2)cn1 257304390 SLJSETKANQLAGK-OAHLLOKOSA-N 313.357 2.007 0 40 DEAB CCn1cc(CN2CCN(C(C)=O)[C@@H](c3ccccc3)C2)cn1 257284424 PCQZDIKVGSQBBH-GOSISDBHSA-N 312.417 2.308 0 40 DEAB CC(=O)N[C@H]1CN(Cc2ccc(F)cc2)C2(CCN(C)CC2)C1 257282916 OVWJSBZRYKDKAB-QGZVFWFLSA-N 319.424 2.001 0 40 DEAB O=C(O)[C@@H]1c2ccccc2CCN1C(=O)CCc1cscn1 262526974 NTYWDHIQPHBXTL-HNNXBMFYSA-N 316.382 2.286 0 40 DEAB O=C(NCCSCc1ccccc1F)N1CCC[C@@H]1CO 265418308 FACILKQJPSGIKC-CYBMUJFWSA-N 312.410 2.225 0 40 DEAB O=C(C1CC(F)C1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575405751 ZRNQRSKFAPVKJM-YIZWMMSDSA-N 322.405 2.295 0 40 DEAB O=C(Nc1cccnc1N1CCCCC1)c1ccc2nncn2c1 69418867 DGDPFWYMOCGPQU-UHFFFAOYSA-N 322.372 2.367 0 40 DEAB CC[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccccc1Cl 32929754 VEFGOHZJMHXTGC-SNVBAGLBSA-N 303.811 2.170 0 40 DEAB Cc1cc(C(=O)N2CCN(Cn3cc(Cl)cn3)CC2)c(C)o1 71833144 OBQRQKVCTAZGGZ-UHFFFAOYSA-N 322.796 2.162 0 40 DEAB Cc1occc1C(=O)N1CCN(C[C@@H](O)c2ccccc2)CC1 56513128 KMVUQMVZFIGWGE-QGZVFWFLSA-N 314.385 2.079 0 40 DEAB C[C@H]1CN(C)CCN1CC1CCN(C(=O)C2CCCCC2)CC1 85468099 GTKFZMYSOMHOQU-INIZCTEOSA-N 321.509 2.441 0 40 DEAB COC[C@H]1CN(Cc2cc(O)ccc2Br)CCO1 93529258 VAXZIMFDQFWZBS-GFCCVEGCSA-N 316.195 2.002 0 40 DEAB O=C(NN1C(=O)CS[C@H]1c1cccc(F)c1)c1ccncc1 5812950 CBBPXKOLYJNDME-HNNXBMFYSA-N 317.345 2.140 0 40 DEAB COc1ccc(C[C@@H]2C(=O)Nc3ccccc3C(=O)N2C)cc1 13429861 UOYDZPKQPOLDIR-MRXNPFEDSA-N 310.353 2.331 0 40 DEAB biogenic,in-vitro CC(C)CC(=O)Nc1cc(O)nc2nc(-c3ccccc3)nn12 18207052 XJDLABGVVRDFDT-UHFFFAOYSA-N 311.345 2.482 0 40 DEAB CCc1c(C)nc([C@H]2CCCN(Cc3ccncc3)C2)[nH]c1=O 19521561 ZCXZKLYAULXOON-HNNXBMFYSA-N 312.417 2.415 0 40 DEAB CCN1CCC[C@@H]1CN(Cc1ccncc1)Cc1cnn(C)c1 19527223 HYPOUCDLPLUCTQ-GOSISDBHSA-N 313.449 2.302 0 40 DEAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccncc3)C(=O)O2)cc1 6318008 VGTGSCLRTCRRLI-XNTDXEJSSA-N 307.309 2.385 0 40 DEAB CC(C)S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 9168924 UBNVMVYUHVQKQK-UHFFFAOYSA-N 312.391 2.194 0 40 DEAB Cc1ccnc(N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)n1 1888844055 FGNJOSBNEKUSPA-GJZGRUSLSA-N 322.416 2.025 0 40 DEAB O=C(c1nc2ccccc2s1)N1CC(Nc2ncccn2)C1 238846213 IJSXAKIZXRZMJB-UHFFFAOYSA-N 311.370 2.023 0 40 DEAB Cc1ncc(C(=O)N2C[C@H]3CCN(CC(C)C)CC[C@H]3C2)cn1 2056223316 FVPZLMSSPOOXSR-IYBDPMFKSA-N 316.449 2.225 0 40 DEAB CN(C)C(=O)[C@]1(n2ccnc2)CCCN(Cc2cccs2)C1 2055771511 DJINRVYRYZMUID-INIZCTEOSA-N 318.446 2.024 0 40 DEAB COc1ccc(CN2C(=O)CCC23CCN(C(C)=O)CC3)cc1 2055819340 GDAFQLCAZBBTEG-UHFFFAOYSA-N 316.401 2.199 0 40 DEAB CC(C)CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 606440332 DGQGOFSTTCKZPG-GFCCVEGCSA-N 315.460 2.424 0 40 DEAB Cc1ccnn1-c1cccc(NC(=O)N[C@H]2CCC[C@@H]2O)c1 96415852 ISSNUEUAPZQZOU-GJZGRUSLSA-N 300.362 2.216 0 40 DEAB O=C1[C@H]2CCCC[C@H]2C(=O)N1C[C@@H](O)c1ccc(F)cc1F 51260962 ATCOLGMMNCEYMB-UHIISALHSA-N 309.312 2.173 0 40 DEAB C[C@H](NC(=O)COC(=O)c1ccccc1O)[C@@H]1C[C@H]2CC[C@H]1C2 102175371 WHIOSCOFBHGYBV-ABHRYQDASA-N 317.385 2.490 0 40 DEAB C[C@@H]1CN(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)C[C@@H](C)O1 32895804 SGRXLGWIKIGBJJ-IOASZLSFSA-N 324.446 2.081 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)o1)NC[C@@H]1CCOC1 41489778 YRCDLAYHROZNQZ-LBPRGKRZSA-N 301.346 2.177 0 40 DEAB CNc1snc(C)c1C(=O)OC[C@@H]1COc2ccccc2O1 22133039 PFUXYPZMGFQJJH-JTQLQIEISA-N 320.370 2.490 0 40 DEAB COC(=O)N1CCC[C@@H](C(=O)Nc2nc(C3CC3)cs2)C1 104314130 QBRJAGSRVAJVCC-SNVBAGLBSA-N 309.391 2.437 0 40 DEAB CCC12CN3CC(C)(CN(C1)C3[C@H]1CCOC(C)(C)C1)C2=O 72332951 FAIWTICMJBTPRQ-XSJWZJLZSA-N 306.450 2.134 0 40 DEAB biogenic CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)cc1 4263854 ZPAZPCGPDIOKFD-UHFFFAOYSA-N 310.309 2.221 0 40 DEAB Cc1nc(NC[C@@H](C)N2CCC[C@@H](C)C2)c2cnn(C)c2n1 106827572 REDQKQRSQBKWOX-VXGBXAGGSA-N 302.426 2.204 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)CSc1cccc[n+]1[O-] 3222868 JSRKOKOFCURRPF-LBPRGKRZSA-N 300.383 2.390 0 40 DEAB C[C@@H](CC(=O)NCC(C)(C)N1CCOCC1)c1ccccc1 25515963 DOWXTJTUCAJQJD-HNNXBMFYSA-N 304.434 2.407 0 40 DEAB C[C@@H](NC(=O)N1CCSCC1)c1ccc(-n2cncn2)cc1 43818410 BQOIKURAMKBOKQ-GFCCVEGCSA-N 317.418 2.087 0 40 DEAB Cc1cc(C(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)s1 58292900 DFOBONYHVAPTCS-SNVBAGLBSA-N 306.387 2.393 0 40 DEAB O=C(Nc1nc[nH]n1)[C@@H]1C[C@H]1c1cccc(Br)c1 58267559 CWIPFLJLGRXWRW-VHSXEESVSA-N 307.151 2.309 0 40 DEAB CC(C)N(C(=O)CN1CCN(c2ccccc2O)CC1)C(C)C 57440589 FGAUQZUWYNJOKM-UHFFFAOYSA-N 319.449 2.160 0 40 DEAB O=C(COC1CCCC1)Nc1cc(C(F)(F)F)c[nH]c1=O 45838823 XALJJOLRGQZDGQ-UHFFFAOYSA-N 304.268 2.291 0 40 DEAB CN(C)C(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 12880979 UXAXXQMJBLUSMT-UHFFFAOYSA-N 306.362 2.218 0 40 DEAB Cn1cc(CCC(=O)NC[C@@H]2C[C@@]23CCc2ccccc23)cn1 84318313 FIOIZZAVUZMBKW-LPHOPBHVSA-N 309.413 2.373 0 40 DEAB O=C(NCCCn1ccnc1)c1ccc(Br)cc1 3453587 RGBUPEHTJWPFTR-UHFFFAOYSA-N 308.179 2.466 0 40 DEAB O=C1CC[C@H]2[C@H](CCN2c2ccccn2)N1CC1CCOCC1 107205679 MEICKBHOAWZJAV-HOTGVXAUSA-N 315.417 2.078 0 40 DEAB CCn1cc(NC(=O)Cc2ccc(OC)c(OC)c2)ccc1=O 47181668 BYPNDFWVLXCXIT-UHFFFAOYSA-N 316.357 2.067 0 40 DEAB O=C1OCC[C@@H]1Sc1nnc(COc2ccc(F)cc2)o1 72645550 SIYWNRXRGLFKRL-JTQLQIEISA-N 310.306 2.195 0 40 DEAB O=C(COCC(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1 84549454 APPASCVJHDXLAE-GFCCVEGCSA-N 316.323 2.208 0 40 DEAB Cc1noc(CNC(=O)N[C@@H]2CCCOc3cc(F)ccc32)n1 95991068 GIRIVFYSBFWDGB-GFCCVEGCSA-N 320.324 2.230 0 40 DEAB O=C(O)CN(Cc1ccccc1)C(=O)c1noc2c1CCCC2 95956973 BWWYKUUSHQVACC-UHFFFAOYSA-N 314.341 2.280 0 40 DEAB CC(C)OCc1cccc(CNC(=O)c2ccc(=O)[nH]c2)c1 49154688 BVZLUSOONPDWFR-UHFFFAOYSA-N 300.358 2.230 0 40 DEAB Cc1cccc(C)c1NC(=O)Cn1nc2c(cc1=O)CCCC2 21110234 WOORPDZCFCBOMI-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB NC(=O)[C@H](OC(=O)CCC(=O)c1cccs1)c1ccccc1 14072784 NEEDHIRCZFRXPF-OAHLLOKOSA-N 317.366 2.481 0 40 DEAB C[C@@H]1CN(C(=O)c2cn(-c3ccccc3Cl)nn2)C[C@@H](C)O1 65595994 VFJMYFCRAGXDNT-GHMZBOCLSA-N 320.780 2.170 0 40 DEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(s1)CCC2 65609835 FOZOEUMGFQLSPM-ZDUSSCGKSA-N 314.410 2.063 0 40 DEAB C[C@H](Sc1nc(N)cc(N)n1)C(=O)c1c[nH]c2ccccc12 6533237 TWLSJVRYUFFVBE-QMMMGPOBSA-N 313.386 2.486 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccccn2)cc1 7058948 DPKBBCSWQDIEGG-LLVKDONJSA-N 319.386 2.080 0 40 DEAB CC[C@@H]1[C@@H](c2ccc(C)cc2)CCN1CCN1C(=O)CNC1=O 95404907 SZEQHNXGXCSYTD-HZPDHXFCSA-N 315.417 2.115 0 40 DEAB C[C@H](COc1ccccc1F)NC(=O)N[C@H](C)c1cnn(C)c1 95404522 CNFLHXRQUQRCKX-VXGBXAGGSA-N 320.368 2.387 0 40 DEAB CCN1C(=O)N[C@](C)([C@H]2CCCN([C@H]3C=CCCC3)C2)C1=O 95402616 JHNZJGVWGILEAH-GRDNDAEWSA-N 305.422 2.138 0 40 DEAB Cc1cc(C(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1C1CC1 68138442 KYZQCFIBYBCAOC-GXFFZTMASA-N 303.406 2.166 0 40 DEAB O=C(NC1CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCC3 7608976 POPAFJUONHIJLX-UHFFFAOYSA-N 311.385 2.405 0 40 DEAB biogenic Cc1c(C(=O)NCCC(=O)N2CCCC2)oc2ccccc12 9576324 RXHGZQKDYDDFII-UHFFFAOYSA-N 300.358 2.484 0 40 DEAB COc1cnc(C(=O)Nc2cccc(NC(C)=O)c2)cc1O 16968506 ZENBDEHGHODNSR-UHFFFAOYSA-N 301.302 2.007 0 40 DEAB O=C(CN1CCO[C@@H](c2ccccc2)C1)N1CCCCCC1 71852536 KUUDQJYESWYSMI-QGZVFWFLSA-N 302.418 2.463 0 40 DEAB COC(=O)c1cccc(COC(=O)[C@H]2C[C@H]2c2cnn(C)c2)c1 71859329 GIPQSWZDWHYNNH-GJZGRUSLSA-N 314.341 2.054 0 40 DEAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 8307317 FKRQMCOSLYAQKU-TUAOUCFPSA-N 316.405 2.161 0 40 DEAB CO[C@H](C(=O)Nc1ccc2c(c1)oc(=O)n2C)c1ccccc1 69458421 XBIKNHPGRXJTSX-HNNXBMFYSA-N 312.325 2.458 0 40 DEAB CCOc1nnc(CN2CCCC[C@H]2Cn2cc(C)cn2)s1 71875371 UOAONXZQHXNYAK-ZDUSSCGKSA-N 321.450 2.496 0 40 DEAB CCOc1ccccc1CN(C)C(=O)c1c[nH]cc(C)c1=O 95465180 YZHOVCFGEDFZBL-UHFFFAOYSA-N 300.358 2.354 0 40 DEAB C[C@@H](C(=O)NCc1cccc(COC(C)(C)C)c1)n1cncn1 69663953 IQZGRVMOJQSOHK-ZDUSSCGKSA-N 316.405 2.471 0 40 DEAB Cc1nc(CN2CCC[C@@H]2Cn2cncn2)nc2ccccc12 69665187 YTSXAIXZZFSEAH-CQSZACIVSA-N 308.389 2.194 0 40 DEAB CC(C)n1nnnc1S[C@H](C)C(=O)NCc1cccs1 8548101 DPISPELSJIUNNR-SECBINFHSA-N 311.436 2.113 0 40 DEAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccn(C)n1 69739631 WNLRKPQQDWDRRW-CQSZACIVSA-N 315.377 2.205 0 40 DEAB CCc1ccc(CC(=O)N2CCC[C@H](C3OCCO3)C2)cc1 95401305 MVCCVDXRMVZLGA-INIZCTEOSA-N 303.402 2.403 0 40 DEAB CN1CCN(C(=O)CCOCC(F)(F)F)c2ccccc2C1 69898540 QDLPFAOEFVLKTO-UHFFFAOYSA-N 316.323 2.434 0 40 DEAB O=C(CSC[C@@H](O)c1ccccc1)NCc1ccccn1 69808414 FWKDEBCSDCGHDA-OAHLLOKOSA-N 302.399 2.165 0 40 DEAB C[C@@H]([C@@H](C)NCCCn1c(=O)oc2ccccc21)n1cccn1 69950713 GDVGFNILSOYGQG-KGLIPLIRSA-N 314.389 2.420 0 40 DEAB COc1ncnc(N)c1CNC[C@H](C)Oc1ccccc1Cl 85330279 CNASUONYTSRPJQ-JTQLQIEISA-N 322.796 2.278 0 40 DEAB Cc1nnc(COC(=O)c2ccc(N(C)C)cc2F)n1C1CC1 97033086 ZLQLYQKDUIQSPH-UHFFFAOYSA-N 318.352 2.484 0 40 DEAB CCN1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H]2CCOC2)CC1 95967701 BJFQCHTWHAXRMT-GDBMZVCRSA-N 321.440 2.407 0 40 DEAB Cc1ccc(N2CCC[C@@H](Nc3ncnc4c3CCC4)C2)nn1 72276308 WFPWFKYYLQYKHB-CYBMUJFWSA-N 310.405 2.145 0 40 DEAB CC(C)c1nn(C)cc1CNCc1ccc(-n2ccnc2)nc1 97159051 VEZQEJCDGZXNNJ-UHFFFAOYSA-N 310.405 2.414 0 40 DEAB COc1ccnc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 97150683 PKEYWWJCNIOOSN-LLVKDONJSA-N 321.402 2.086 0 40 DEAB COc1ccsc1S(=O)(=O)N(C)CCc1ccccn1 89346484 LLSWGNDZHDHXET-UHFFFAOYSA-N 312.416 2.015 0 40 DEAB C[C@@H]1CN([C@@H](CNCc2nccn2C)c2cccs2)CCO1 75603921 NCTSQKRVHZWQOO-KGLIPLIRSA-N 320.462 2.033 0 40 DEAB CCCNS(=O)(=O)c1ccc(OCC)c(NC(=O)CC)c1 408699820 ZNPOINKTMPOYPJ-UHFFFAOYSA-N 314.407 2.122 0 40 DEAB NC(=O)CCCNC(=O)c1cccc(OC2CCCCC2)c1 78068415 GAGGVBQVUGMYOZ-UHFFFAOYSA-N 304.390 2.393 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1C 36610977 ITXUUXXQPFGPNN-ZIAGYGMSSA-N 321.421 2.369 0 40 DEAB COc1cc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)ncn1 79438929 CUGUVGZAPBQWST-UHFFFAOYSA-N 322.409 2.321 0 40 DEAB O=S(=O)(NCC[C@@H](O)c1ccco1)c1ccccc1Cl 77111632 QTPQYCPAGJOIFW-LLVKDONJSA-N 315.778 2.335 0 40 DEAB C[C@@H](O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 72225566 XUUQPKJBSAHUDJ-GFCCVEGCSA-N 307.394 2.192 0 40 DEAB Cc1ccc(CN(C(=O)CN2CCCC[C@H]2CCO)C2CC2)o1 78922921 XSVSUXXWYYJXRZ-HNNXBMFYSA-N 320.433 2.316 0 40 DEAB CCN1CCN(C(=O)c2snnc2-c2cccs2)CC1 225790318 HKZPQBBTPGGGMH-UHFFFAOYSA-N 308.432 2.044 0 40 DEAB CCc1noc([C@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1 40714467 BMIWOTQUHUVQEH-GFCCVEGCSA-N 303.366 2.041 0 40 DEAB Cc1nccn1C[C@@H](C)CNC(=O)c1cccc(N(C)C)c1 63975094 HHDIMXUWDZSSEF-ZDUSSCGKSA-N 300.406 2.324 0 40 DEAB O=c1[nH]c2cc(C(F)(F)F)c(Br)cc2c(=O)o1 98210505 WMWMZNVTAJYSQV-UHFFFAOYSA-N 310.025 2.263 0 40 DEAB CCN1CC=C(c2c(C(=O)O)nnn2-c2ccc(F)cc2)CC1 96516569 UVLZIIMVGBDDFE-UHFFFAOYSA-N 316.336 2.214 0 40 DEAB Cc1ccccc1CN1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCCC2)C1 96253197 LRFRGXLGFHJFKQ-FGTMMUONSA-N 314.429 2.207 0 40 DEAB O=C(N[C@@H](CO)Cc1ccccc1)[C@H]1OCCc2ccccc21 96487692 ZLKGGTJJHPWQTL-AEFFLSMTSA-N 311.381 2.020 0 40 DEAB CC(C)CN1CCC2(CC1)CN(Cc1cccnc1)CCO2 96158805 WIKQAXZJYKIEES-UHFFFAOYSA-N 303.450 2.404 0 40 DEAB CCOC(=O)N[C@H]1CCCN(Cc2cnn(C(C)(C)C)c2)C1 96489790 XNBGNCKYTGKXMF-AWEZNQCLSA-N 308.426 2.349 0 40 DEAB CC(C)(CNC(=O)Cc1cccc2ccccc12)S(C)(=O)=O 96451616 SAOAKDTZBODZKA-UHFFFAOYSA-N 319.426 2.322 0 40 DEAB COC[C@@H](O)CN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 96453157 ZJBRYBZKPBVGNP-AWEZNQCLSA-N 311.809 2.227 0 40 DEAB CS(=O)(=O)c1ccccc1N1CCC[C@H](c2ncc[nH]2)C1 91480074 OKRIDJFZDUIAEY-LBPRGKRZSA-N 305.403 2.197 0 40 DEAB O=C(NCC[S@@](=O)Cc1ccccc1)N[C@@H]1C=CCCC1 96462965 NLHPZBGKLSKDTN-VFNWGFHPSA-N 306.431 2.343 0 40 DEAB Cc1cnc2n1CCN(C)C21CCN(Cc2ccccn2)CC1 96037002 BTPPIJKINHSZGJ-UHFFFAOYSA-N 311.433 2.023 0 40 DEAB CCOCCC(=O)Nc1cc(CN2CCOCC2)ccc1C 96413891 YZDNBKRWXIUPNN-UHFFFAOYSA-N 306.406 2.192 0 40 DEAB Nc1nccnc1C[C@H]1CCCN(C(=O)Cc2ccsc2)C1 257304576 SMHJFULCKGSAPJ-GFCCVEGCSA-N 316.430 2.144 0 40 DEAB Cc1cc(C)nc(N2CCC(c3ccc4c(N)n[nH]c4n3)CC2)n1 257207014 BFYPENKTLCYIEC-UHFFFAOYSA-N 323.404 2.331 0 40 DEAB Cc1ccc(N2C[C@@]3(CCN(C(=O)C4(F)CC4)C3)CC2=O)cc1 585101593 WRSYQAGVFCPHQE-KRWDZBQOSA-N 316.376 2.453 0 40 DEAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2cn[nH]c2C)n1 72279953 ZHBKWRNTFHDFSJ-AWEZNQCLSA-N 301.394 2.226 0 40 DEAB O=C(N1CCOCC1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009195 AOXUEGACPKSIDI-STQMWFEESA-N 324.812 2.157 0 40 DEAB O=C(Cn1ccc(=O)c2ccccc21)NCCc1ccc(O)cc1 58421313 CVCOBXAZBSNDFD-UHFFFAOYSA-N 322.364 2.066 0 40 DEAB CCS(=O)(=O)C[C@H](C)NC(=O)N1C[C@@H](C)CCC[C@@H]1C 74220281 NCMQOWFAKHBDET-AVGNSLFASA-N 304.456 2.030 0 40 DEAB CN(CCOc1ccccc1)CC(=O)N(C)Cc1ccco1 40460418 OJIOORJGFSMJPZ-UHFFFAOYSA-N 302.374 2.249 0 40 DEAB COC(=O)CCCc1nnc(NC(=O)[C@@H]2CC=CCC2)s1 75143979 AOCBUQJJXDOVIJ-SNVBAGLBSA-N 309.391 2.329 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)n1 106783545 XQEJEWCAYUZWLV-YGRLFVJLSA-N 316.409 2.381 0 40 DEAB O=S(=O)(C1CC1)N1CCc2cc(Br)ccc2C1 190212250 MYKXYFSWHLBYAU-UHFFFAOYSA-N 316.220 2.299 0 40 DEAB C[S@@](=O)(CCOCc1ccccc1)=NC(=O)C(F)(F)F 215487124 SWZYLNHTFLKKRN-HXUWFJFHSA-N 309.309 2.390 0 40 DEAB O=C1N[C@@]2(CCc3ccccc31)CCN(C(=O)c1ccncc1)C2 19375217 KSWJWZVLOIOWAS-IBGZPJMESA-N 321.380 2.043 0 40 DEAB CN(CCN1CCCCC1)C(=O)c1cc(-c2ccccn2)n[nH]1 19717598 OKXCFFBMCPRILI-UHFFFAOYSA-N 313.405 2.030 0 40 DEAB COCCC1(C(=O)Nc2ccc(-c3nnn[nH]3)cc2)CCC1 152313834 NBOZWKFVSZJLDZ-UHFFFAOYSA-N 301.350 2.012 0 40 DEAB COc1cccc(COC(=O)c2cccc(-n3cnnn3)c2)c1 12095993 IOPKCMPBPJUJJJ-UHFFFAOYSA-N 310.313 2.028 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)NCCc1ccccc1F 23692631 ACTCYKQDCOKRBU-UHFFFAOYSA-N 321.373 2.202 0 40 DEAB O=C(N1CCC2(C=C[C@H](N3CCOCC3)CC2)CC1)C1(F)CC1 1614936371 KQGIYHVQQWXSEE-HNNXBMFYSA-N 322.424 2.148 0 40 DEAB CCCO[C@](NC(=O)CC(C)C)(C(=O)OCC)C(F)(F)F 5310656 XTUVUAMTLPIKOZ-GFCCVEGCSA-N 313.316 2.397 0 40 DEAB O=C(O)CCc1nc2nc(C3CC3)cc(C(F)(F)F)n2n1 12399057 AYGJDEUYYKTLQC-UHFFFAOYSA-N 300.240 2.038 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 100185375 GKDUQVYCDVXQRK-LWWSYDQCSA-N 311.337 2.175 0 40 DEAB CCOc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1 51356877 UNYBBQHPHRMYQS-UHFFFAOYSA-N 306.343 2.337 0 40 DEAB Cc1cc(CN2CCC(N(C)C(=O)C3[C@@H]4CCC[C@@H]34)CC2)on1 101478092 AWJSBQZPMYBYKU-HZPDHXFCSA-N 317.433 2.452 0 40 DEAB O=C(Cc1ccccc1)N1CCN(CCc2ccncc2)CC1 20896981 CFUFWMLQJPCTIP-UHFFFAOYSA-N 309.413 2.011 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)CCc2cccc(Cl)c2Cl)C1 41126104 SSKXFBMGTMTXMN-SNVBAGLBSA-N 315.200 2.260 0 40 DEAB CC(C)CCOC(=O)c1ccc(CCNS(C)(=O)=O)s1 32865259 VFDHOLABXIGAOH-UHFFFAOYSA-N 319.448 2.043 0 40 DEAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1 54529422 NXOJHNTVQIBMPT-CQSZACIVSA-N 321.377 2.268 0 40 DEAB COc1cc([C@H]2CNCc3cc(OC)c(O)cc32)ccc1O 1719191 OVSLAHWMVVLOHG-CYBMUJFWSA-N 301.342 2.350 0 40 DEAB CCOC(=O)C(=CNc1cccc2nsnc12)C(=O)OCC 1819193 ARFGYTCBKQGIMQ-UHFFFAOYSA-N 321.358 2.113 0 40 DEAB CCCN[C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)O 2107482 LMFXZSXLYLMGMQ-NSHDSACASA-N 314.769 2.130 0 40 DEAB Cc1nc(CC(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cs1 95991354 JQSJICKWKJWHPT-WMEQCIOUSA-N 324.446 2.432 0 40 DEAB O=C(COC(=O)c1cccc(Cl)c1)NC(=O)NC1CCCC1 3385630 NQSSNQDZNXJUTI-UHFFFAOYSA-N 324.764 2.265 0 40 DEAB Cc1cc(NC(=O)NC2CCN(c3ccccn3)CC2)no1 44936981 WUVNEKYIUSOCSP-UHFFFAOYSA-N 301.350 2.169 0 40 DEAB CC(C)Oc1cccc([C@H](C)NS(=O)(=O)c2cnn(C)c2)c1 44937623 GOTZCEVIWXKNGS-LBPRGKRZSA-N 323.418 2.247 0 40 DEAB CCC(=O)N1CCc2cc(C(=O)NO[C@@H]3CCCCO3)ccc21 58370460 ZRUQQWWDZDMGBT-MRXNPFEDSA-N 318.373 2.174 0 40 DEAB O=C(O)CCCNC(=O)c1ccccc1NC(=O)c1ccco1 2367175 QVCLWKFJJAHMMT-UHFFFAOYSA-N 316.313 2.127 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)CN(C)C1CCCCCC1 29599035 HLYJZJXXTLPOIF-UHFFFAOYSA-N 311.470 2.014 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@H]2CCCC[C@H]21 46494458 JKUYJGFFMQMDQX-WBVHZDCISA-N 301.386 2.334 0 40 DEAB Cc1noc(C)c1CN1CC[C@@H]2OCCN(CC3CC3)[C@@H]2CC1 107254942 YWJTZULSFFEVBM-MSOLQXFVSA-N 319.449 2.367 0 40 DEAB COc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)cc1 100521511 IWICKOBLUJZCTL-JQOWZUPLSA-N 313.353 2.403 0 40 DEAB Cc1cc(S(=O)(=O)N(C)CC(C)(C)O)c(Cl)cc1F 95448554 VBQBRPUYXWAGFH-UHFFFAOYSA-N 309.790 2.179 0 40 DEAB O=C(N[C@@H]1CCN(c2ccccc2)C1=O)c1ccc(O)cc1F 95465614 JMQRXLSLLJFBAR-OAHLLOKOSA-N 314.316 2.067 0 40 DEAB CC(C)c1ccc(OCCNC(=O)c2ccc(=O)[nH]c2)cc1 48500347 SILOPXSCHDXDGN-UHFFFAOYSA-N 300.358 2.307 0 40 DEAB COCCn1cc2c(n1)[C@H](NC(=O)c1ccccc1F)CCC2 96002906 BRGWQSMDKDZFCM-OAHLLOKOSA-N 317.364 2.476 0 40 DEAB O=S(=O)(NCc1ccno1)c1ccc(Cl)c(Cl)c1 95465324 WJGIYGOEIJNYBN-UHFFFAOYSA-N 307.158 2.460 0 40 DEAB Cc1ccc(Nc2nc(NCCO)nc3c2cnn3C)c(C)c1 4272732 XGKWQCSPQFRBQT-UHFFFAOYSA-N 312.377 2.128 0 40 DEAB Cc1c(NC2=NS(=O)(=O)c3ccccc32)cccc1C(=O)O 13945548 KQQIEMRJPTXOCZ-UHFFFAOYSA-N 316.338 2.254 0 40 DEAB Cc1csc([C@H]2CN([C@H](C(N)=O)c3ccccc3)CCO2)n1 65462397 CVIITOCXHRHOJU-KGLIPLIRSA-N 317.414 2.051 0 40 DEAB CN1CCO[C@@H](CNC(=O)c2cc3c(ccc4ccccc43)[nH]2)C1 65491805 ATYRPGUAMUDRBN-AWEZNQCLSA-N 323.396 2.382 0 40 DEAB CC(C)(NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)C(=O)O 65430197 SNLNKPWRMCMDPA-UHFFFAOYSA-N 307.737 2.323 0 40 DEAB Cc1nc(/C=C/C(=O)N(C)Cc2nnc3ccccn23)cs1 65588126 KPQOTJBXRJBKOL-VOTSOKGWSA-N 313.386 2.166 0 40 DEAB CC[C@H](C)c1ccc(NC(=O)CN2C(=O)CN(C)C2=O)cc1 6617720 XMCNQQKWSISJHP-NSHDSACASA-N 303.362 2.033 0 40 DEAB CC1(C)CO[C@@H](c2ccccc2)CN1CCN1CCCC1=O 66896853 LJKBCKOHFJFBBD-MRXNPFEDSA-N 302.418 2.461 0 40 DEAB C[C@H](NC(=O)CN1CCC[C@@H]1c1cnn(C)c1)c1cccs1 71797335 QGXHRXSKEIOFFI-GXTWGEPZSA-N 318.446 2.496 0 40 DEAB CCCn1c(C)cc(C(=O)COC(=O)C2=COCCO2)c1C 7063898 MTLLDJQMYFGXPK-UHFFFAOYSA-N 307.346 2.129 0 40 DEAB CC(C)NC(=O)NC(=O)[C@@H](C)Sc1nc2ccccc2[nH]1 7059809 ZSEUKBMLUPJIFT-SECBINFHSA-N 306.391 2.278 0 40 DEAB CCN1C[C@H](CN(C)C(=O)c2ccccn2)Oc2ccccc21 7256944 PVZPNFCMWQNNCE-AWEZNQCLSA-N 311.385 2.441 0 40 DEAB NC(=O)COC(=O)c1ccc(Oc2ccc(F)cc2F)cc1 71899851 HCDQEVZRPYWMIF-UHFFFAOYSA-N 307.252 2.399 0 40 DEAB O=S1(=O)CCCN(Cc2coc(-c3cccs3)n2)CC1 71897352 BHDWZMIMOOLUCV-UHFFFAOYSA-N 312.416 2.024 0 40 DEAB Cc1nc(CNC(=O)c2cc(Cl)cc3cccnc23)n[nH]1 71882343 VPVDZHAAUKTHTO-UHFFFAOYSA-N 301.737 2.245 0 40 DEAB Cc1cc(=O)n2nc(CN3c4ccccc4C[C@@H]3C)sc2n1 8119058 BLRNSZFNMBZKGF-NSHDSACASA-N 312.398 2.411 0 40 DEAB CN1CCC[C@@H](CSc2nc3ccsc3c(=O)n2C)C1 70021367 ULTWOOYTXJRVLM-SNVBAGLBSA-N 309.460 2.429 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)c1ccncc1 69379530 OAWWACYBKHCSKN-QGZVFWFLSA-N 323.396 2.045 0 40 DEAB Cc1[nH]ncc1C(=O)NCc1nccn1CCCc1ccccc1 81933384 NUIXLIZHCOKDCU-UHFFFAOYSA-N 323.400 2.477 0 40 DEAB CCc1nnc2n1N=C(C)[C@H](C(=O)Nc1ccccc1)S2 8315739 KUHMGFNMCAUQBH-GFCCVEGCSA-N 301.375 2.178 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)[C@H]1C[C@@H]1c1cccc(F)c1 69563141 GSDQIZXLPXEZFF-VYDXJSESSA-N 324.355 2.372 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H](n2ccnc2)C1 69670329 KVGKJHWPQTVHLD-SWLSCSKDSA-N 315.421 2.201 0 40 DEAB COc1ccc(CNCCC(=O)NCc2ccccc2)cc1O 69775855 OWFHONIJCSJUHV-UHFFFAOYSA-N 314.385 2.197 0 40 DEAB C[C@H]1CO[C@H](CO)CN1C(=O)c1ccc(F)cc1C(F)(F)F 92382306 QQOUGLMMJFUANT-WPRPVWTQSA-N 321.270 2.066 0 40 DEAB NC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cccc2cnccc12 97009247 VDVCHSVGABMNFD-SWLSCSKDSA-N 319.430 2.031 0 40 DEAB Cc1ccccc1OCCC(=O)N1CCC[C@H](n2cncn2)C1 72234701 RXTZPGHEZRZYJA-HNNXBMFYSA-N 314.389 2.219 0 40 DEAB CCN(CC1CC1)C(=O)c1cc(I)c[nH]1 72286021 VYIIHTSYZHFAIB-UHFFFAOYSA-N 318.158 2.491 0 40 DEAB NS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccsc2)c1 72294987 XHTZLROCLUZJND-UHFFFAOYSA-N 316.791 2.301 0 40 DEAB Cc1nc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)no1 72232027 HEHCTDQYQCMNKN-LBPRGKRZSA-N 315.329 2.127 0 40 DEAB O=C(CCCc1ccccc1)N1CCN([C@H]2CCC[C@H]2O)CC1 72269325 BLGQFERAJUGIBT-ZWKOTPCHSA-N 316.445 2.067 0 40 DEAB Cn1nnc2ccc(C(=O)N(CC3CC3)c3cccnc3)cc21 97110735 KZRYXWQVJKAFJA-UHFFFAOYSA-N 307.357 2.420 0 40 DEAB Cc1c(CNC(=O)Nc2ncn(C3CCCCC3)n2)cnn1C 97114026 BANMSQUTGZIASN-UHFFFAOYSA-N 317.397 2.147 0 40 DEAB CCOc1ncnc2c1CN([C@H](C)c1nc(C3CC3)no1)CC2 97202286 MPFQIQNUSRQHAD-SNVBAGLBSA-N 315.377 2.255 0 40 DEAB Cc1c(NCc2ccc([S@@](C)=O)cc2)cccc1C(N)=O 89540442 LAAZVURSKFCURS-NRFANRHFSA-N 302.399 2.443 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N(CCCCO)C2CC2)c1 89585500 JPHAVENDKYPBAO-UHFFFAOYSA-N 301.383 2.060 0 40 DEAB Cc1ccc(SCC(=O)N2CCC[C@H](c3nnn[nH]3)C2)cc1 89639210 OMIFRJSCPYFFKD-LBPRGKRZSA-N 317.418 2.006 0 40 DEAB Cc1ccsc1CNC(=O)CN(CCO)C1CCCCC1 89702036 KHHDTFIAKHDVAX-UHFFFAOYSA-N 310.463 2.300 0 40 DEAB Clc1nn(CN2CCC3(CC2)OCCO3)c2ccccc12 89872936 CDMCOAWNCAHIAH-UHFFFAOYSA-N 307.781 2.486 0 40 DEAB O=C(N[C@H](Cc1ccccc1)C(=O)N1CCCC1)C1CCC1 89829959 YTGQPKTWOYOAAR-MRXNPFEDSA-N 300.402 2.136 0 40 DEAB CCNC(=O)Cn1ccc(NC(=O)Nc2ccc(C)s2)n1 75416239 RNYCIODTRBPMLG-UHFFFAOYSA-N 307.379 2.033 0 40 DEAB COc1ccc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 89947370 CEOAQAKNUOJLLJ-UHFFFAOYSA-N 317.307 2.154 0 40 DEAB CO[C@H]1CCCN(C(=O)NCc2ccc3c(c2)OCCCO3)C1 76577039 IYDFLXRAYCOWKF-AWEZNQCLSA-N 320.389 2.168 0 40 DEAB CCc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409377130 DXWQURQNJYBJRR-XJIUQZFPSA-N 301.342 2.232 0 40 DEAB Cc1ccoc1CN(C)C(=O)Cc1nnc(O)c2ccccc12 553943550 ZJLJRBGNMGEFTK-UHFFFAOYSA-N 311.341 2.438 0 40 DEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(Cc2cncs2)C1 548673470 UIVJGNQELVWSMC-AWEZNQCLSA-N 322.459 2.145 0 40 DEAB COC(CCN[C@](C)(CNC(=O)OC(C)(C)C)C1CC1)OC 521396497 JOUYDUPZRLCOEB-MRXNPFEDSA-N 316.442 2.278 0 40 DEAB O=C(CC1CC1)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306136937 QHBKLVUSXYEAOY-OAHLLOKOSA-N 316.401 2.268 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1F)n1nc2c(cc1=O)CO[C@@H]2C 72342393 NJQNUDUEQTXGNN-VHSXEESVSA-N 317.320 2.173 0 40 DEAB Cc1nccn1CCNC(=O)C1(c2ccccc2)CCOCC1 49461056 GVAMMDOSQYJDMX-UHFFFAOYSA-N 313.401 2.056 0 40 DEAB CCC(CC)(CO)NC(=O)Nc1ccc([S@](C)=O)c(F)c1 83573263 FENUALMPUWXBON-OAQYLSRUSA-N 316.398 2.236 0 40 DEAB COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccncc1 225485923 WWMKPLVLBWSAQV-XJKSGUPXSA-N 312.369 2.232 0 40 DEAB COC(=O)c1ccc(NC(=O)NCCN2CCC[C@H](C)C2)cc1 48374206 PHKZAIMSBHKCFW-ZDUSSCGKSA-N 319.405 2.327 0 40 DEAB CCOC(=O)c1ccc(NC(=S)NCCCN(C)C)c(C)c1 225402722 REEWLASQIPURDK-UHFFFAOYSA-N 323.462 2.410 0 40 DEAB COc1ccc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)nn1 225440442 ZDTHSISNIRORQB-SNVBAGLBSA-N 320.374 2.232 0 40 DEAB Cc1nscc1C(=O)NCCc1nc(-c2ccccc2)n[nH]1 195574203 BXMBJTKQIDEIOU-UHFFFAOYSA-N 313.386 2.209 0 40 DEAB CO[C@@H]1CCN(C(=O)c2ccnn2C)C[C@@H]1Cc1ccccc1 96110193 IBTXIHOPCZSJSI-DOTOQJQBSA-N 313.401 2.140 0 40 DEAB CO[C@H]1CCN(C(=O)c2ncccn2)C[C@@H]1Cc1ccccc1 96110517 VPOPJDIDKFBZHI-HOTGVXAUSA-N 311.385 2.196 0 40 DEAB CCN1CCN(S(=O)(=O)CC2CCOCC2)c2ccccc21 96449226 IOIBHSUNJYIVPW-UHFFFAOYSA-N 324.446 2.089 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@@H](C)C[S@@](C)=O 97373363 GJYSAPWGANRTDD-YTEVENLXSA-N 319.430 2.020 0 40 DEAB CC[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1noc(C)n1 97234456 ZFQIUBNXPKSGFF-CHWSQXEVSA-N 318.381 2.489 0 40 DEAB CCOc1cc(CCCNC(=O)c2cc[nH]n2)ccc1OC 96412219 JMMJXYLWTAXAOO-UHFFFAOYSA-N 303.362 2.180 0 40 DEAB O=C(C1CC1)N1CCN(Cc2ccncc2)c2ncccc2C1 96198982 HRRVEJMJCXMUEQ-UHFFFAOYSA-N 308.385 2.235 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1csc(Cc2cccc(F)c2)n1 96500016 NICSBJCEJZNNCE-VIFPVBQESA-N 322.361 2.164 0 40 DEAB Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1cccs1)C2 96187540 QDGKQVFGVHCGBJ-UHFFFAOYSA-N 316.430 2.233 0 40 DEAB Cc1ccccc1-c1cc(N[C@@H]2CCO[C@H]2C)n(CCO)n1 97231983 JMVVMHJXSRBVOK-DZGCQCFKSA-N 301.390 2.440 0 40 DEAB O=C(CCCn1ccnc1)NC[C@@]1(O)CCCc2ccccc21 96421707 SHOUFUAIBSRMKA-SFHVURJKSA-N 313.401 2.004 0 40 DEAB O=C(COc1ccc(F)cc1)Nc1cnn(C2CCOCC2)c1 96104585 ONBUDYDHHLFSPZ-UHFFFAOYSA-N 319.336 2.391 0 40 DEAB Cn1cnc(CNC(=O)c2cccc(Cc3cccc(F)c3)n2)c1 257310672 UGBODKJZYGHFBA-UHFFFAOYSA-N 324.359 2.475 0 40 DEAB CCN(Cc1cccc(F)c1)S(=O)(=O)[C@@H]1CCO[C@H]1C 252568965 VRSYQROCHOHHMC-SMDDNHRTSA-N 301.383 2.155 0 40 DEAB CCc1noc(C)c1C(=O)N1CCC[C@@H]1c1ccnc(O)n1 257244038 IJPCWQWUHVRLSQ-GFCCVEGCSA-N 302.334 2.018 0 40 DEAB Nc1cccc(C(=O)N2CCNC[C@H]2c2ccccc2Cl)n1 261957351 MBYMSORNOAXZQJ-AWEZNQCLSA-N 316.792 2.104 0 40 DEAB CCOC1(C(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)CCCC1 390835172 FYDIYHDXTAFWES-KGLIPLIRSA-N 310.438 2.099 0 40 DEAB Cc1cccc(CO[C@H]2CCOC3(C2)CN(C(=O)CCF)C3)n1 575402847 CTBZNEKHDZGDJW-HNNXBMFYSA-N 322.380 2.026 0 40 DEAB CC(C)N(C)S(=O)(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 65399456 AALXCKBWRLDEEW-WCQYABFASA-N 300.424 2.420 0 40 DEAB CCOc1ncccc1NC(=O)Cc1ccc2c(c1)OCCO2 27512520 WBGSNXWJYSLAQE-UHFFFAOYSA-N 314.341 2.433 0 40 DEAB Cc1ccn2cc(C(=O)N3CCC[C@@H]3Cn3cc(C)cn3)nc2c1 70010787 TUSLEBPXJCDRPG-OAHLLOKOSA-N 323.400 2.452 0 40 DEAB Cc1c(C(=O)N2CCO[C@@H](C)C2)cnn1-c1ccc(F)cc1 30617815 LRACQKDBLXMWBC-NSHDSACASA-N 303.337 2.181 0 40 DEAB Cc1cc(C(=O)NCC(=O)N(C)Cc2ccoc2C)c(C)o1 55462015 YKOUFNRBELGCKZ-UHFFFAOYSA-N 304.346 2.186 0 40 DEAB COc1cccc(OC)c1C(=O)NCc1ccc2c(c1)OCO2 5671139 AJSWQHXKTBECQN-UHFFFAOYSA-N 315.325 2.363 0 40 DEAB O=C1N[C@@]2(CCc3ccccc31)CCN(Cc1cccnc1)C2 19375265 KGEWKUKUOBNFPO-IBGZPJMESA-N 307.397 2.402 0 40 DEAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncnc3sccc23)C1 1889085247 OBIZHKRPFKTXLT-SNVBAGLBSA-N 304.419 2.432 0 40 DEAB Cc1nc(C(=O)N2CCC[C@]3(CCN3C(=O)C(C)C)C2)cs1 1614938792 QEPMTJXWBVARKC-INIZCTEOSA-N 321.446 2.315 0 40 DEAB O=C(NCc1ccc(Cl)cc1)c1ccc(-n2ccnc2)nn1 522955064 JMIWZPYLMMMKSC-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CN(C)CCNC(=O)c1nn(-c2ccccc2)c2c1CCCC2 41460805 ZHJWGKMWHNGPQG-UHFFFAOYSA-N 312.417 2.043 0 40 DEAB O=C(NCCn1ccnc1)c1ccn(-c2ccccc2Cl)n1 50292223 GAFTXAYKBQHTSG-UHFFFAOYSA-N 315.764 2.152 0 40 DEAB CCN(Cc1ccccc1Cl)S(=O)(=O)c1cnn(C)c1 40527976 BJCHOEYPPSCLNI-UHFFFAOYSA-N 313.810 2.284 0 40 DEAB CCC(CC)NC(=O)COc1cccc(N2CCCC2=O)c1 32765156 JUJYUOMRIYTGFF-UHFFFAOYSA-N 304.390 2.497 0 40 DEAB Cn1cc(-c2nc(C(=O)OC[C@@H]3CCCOC3)cs2)cn1 79105316 GGOSVVVLUPGXRI-SNVBAGLBSA-N 307.375 2.127 0 40 DEAB O=C(CN1CCCCC1)CC(O)(C(F)(F)F)C(F)(F)F 1639256 LQVHDUSBAFJEQI-UHFFFAOYSA-N 307.234 2.287 0 40 DEAB CC[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@@H]1N1CCOCC1 84736090 FYDIBTPJLIZARK-NEPJUHHUSA-N 312.797 2.116 0 40 DEAB CC(C)(C)C(=O)N1CCC(C(=O)NCCc2ccccn2)CC1 25177261 FDGWZPOHKJLJRC-UHFFFAOYSA-N 317.433 2.025 0 40 DEAB COc1ccc(OC)c2c1CN(c1cc(C)nc(C)n1)C[C@@H]2O 43533525 AGRLGQFJHPSSHF-ZDUSSCGKSA-N 315.373 2.164 0 40 DEAB Cc1nc([C@@H]2CCCN2CC(=O)Nc2cc(C(C)C)no2)no1 75573048 VTCBQRQQZWTSIY-LBPRGKRZSA-N 319.365 2.265 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 44949756 MCOFIGHZRFPDIN-HNNXBMFYSA-N 320.408 2.475 0 40 DEAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1C(=O)O 102303443 OLZRUUNVPMTXAG-CWVYHPPDSA-N 315.369 2.058 0 40 DEAB CCOc1cc(Cl)ccc1CNC(=O)CN1CCCCC1=O 95434613 CWQOXJSSDYKPRO-UHFFFAOYSA-N 324.808 2.367 0 40 DEAB CN1CCC(N2CC[C@H](N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 95422350 QGYZQWRAOUWWKR-GOEBONIOSA-N 309.498 2.091 0 40 DEAB CCn1cc(CCC(=O)NCCCn2nc(C)cc2C)c(C)n1 28573237 LGCLDMTYABULSA-UHFFFAOYSA-N 317.437 2.164 0 40 DEAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NCCn1cccc1 95439780 OVRLVNXLEGXVHL-UHFFFAOYSA-N 316.785 2.400 0 40 DEAB c1cnc(N2CCC3(CCN(C[C@H]4CCOC4)CC3)CC2)nc1 101138454 UZZDFIKUAAUOIT-MRXNPFEDSA-N 316.449 2.196 0 40 DEAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)Nc1cnccn1 2771130 XJYDTNLVGMRRLM-UHFFFAOYSA-N 311.267 2.208 0 40 DEAB CC[C@H](COC)NC1CCN(CC(=O)Nc2ccccc2)CC1 95419926 BYDCEFJTYVPZJF-OAHLLOKOSA-N 319.449 2.104 0 40 DEAB CCN(CCO)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 86430824 XSVCNGSNWICNNZ-ZDUSSCGKSA-N 316.405 2.266 0 40 DEAB COc1cc(CNC(=O)c2cnn(Cc3ccccc3)c2)ccn1 48278723 MABCPCGPFSDOPS-UHFFFAOYSA-N 322.368 2.265 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)cc1 12756830 GVZOYBFNFAAQDL-UHFFFAOYSA-N 322.328 2.077 0 40 DEAB COc1ccccc1-c1c[nH]cc1C(=O)N1CCN(C)C[C@@H]1C 89938330 VXAWGMKMSVCNLG-ZDUSSCGKSA-N 313.401 2.466 0 40 DEAB COc1cc(NC(=O)N2C[C@H](C)O[C@H](C)C2)ccc1NC(C)=O 48387038 ACXYEDFDPROFRW-PHIMTYICSA-N 321.377 2.295 0 40 DEAB O=C(CCNC(=O)c1ccco1)OCCOc1ccccc1F 13023268 DZDLFDVURDMKPR-UHFFFAOYSA-N 321.304 2.161 0 40 DEAB O=C(O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 3886872 KTQWWYGLWQVHDM-AWEZNQCLSA-N 319.382 2.325 0 40 DEAB in-vitro O=C(COC(=O)c1cccc(O)c1)Nc1ccc(Cl)cn1 5062025 WAWLWQPBKXXCLL-UHFFFAOYSA-N 306.705 2.236 0 40 DEAB Cc1cc(Oc2ncccn2)ccc1NC(=O)N1CCOCC1 65483521 WBVQNGAVUMPROK-UHFFFAOYSA-N 314.345 2.441 0 40 DEAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccn1C 4564438 DDCYGIAIEQMCBD-UHFFFAOYSA-N 322.748 2.483 0 40 DEAB COc1ccc(CNC2=CC(=O)N(c3ccccc3)C2=O)cc1 4625275 XSPYUBFNFCECAY-UHFFFAOYSA-N 308.337 2.242 0 40 DEAB CC[C@H](C)Nc1nc(N[C@@H](C)CC)nc(N2CCOCC2)n1 4673396 PFJPWMYPHMCVFV-RYUDHWBXSA-N 308.430 2.129 0 40 DEAB O=C(COC(=O)C1CCC1)Nc1ccc2c(c1)OC(F)(F)O2 6639286 SGJOJHRONRSMAD-UHFFFAOYSA-N 313.256 2.290 0 40 DEAB c1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1 6823116 BUNCKBADTDNSDP-UHFFFAOYSA-N 321.384 2.454 0 40 DEAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc[nH]n3)cc2)C[C@@H](C)O1 68440664 HFHMFNLAKCMVRP-CHWSQXEVSA-N 314.389 2.271 0 40 DEAB CCc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)NC(N)=O)o1 96417151 JAAOHVSODCOKEA-WCQYABFASA-N 307.394 2.343 0 40 DEAB Cc1sc(NC(=O)C2CC2)c(C(=O)O[C@H]2CCOC2=O)c1C 7282609 HTVOBRUPCGZJIY-JTQLQIEISA-N 323.370 2.186 0 40 DEAB CCO[C@H]1CCCN(C(=O)N[C@H]2CCCc3c2cnn3C)C1 67603107 UUCDWFONOUBXAT-JSGCOSHPSA-N 306.410 2.008 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)NNc2nc(C)cc(C)n2)c1 7385640 NTPWIMYUXUNZCU-UHFFFAOYSA-N 306.391 2.016 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2c(C)nn3c(C)cc(C)nc23)C1 71827147 ZGKQQWSWDKITLL-CQSZACIVSA-N 316.405 2.296 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)CN(C)CC(=O)NC(C)C 7923585 FEEQPGNGOODJIE-UHFFFAOYSA-N 301.390 2.115 0 40 DEAB O=C(N[C@@H]1CCCN(Cc2c(F)cccc2F)C1)c1cc[nH]n1 71896671 QSSFNMLLJOPZNS-LLVKDONJSA-N 320.343 2.082 0 40 DEAB Cc1cnc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)s1 8013118 CPBUYJWXNFSGGI-UHFFFAOYSA-N 314.370 2.259 0 40 DEAB COCCN(Cc1ccccn1)S(=O)(=O)c1cc(C)oc1C 95988766 IGIKNJJVMMFEFP-UHFFFAOYSA-N 324.402 2.129 0 40 DEAB O=S(=O)(Cc1ccccc1F)Nc1cnc(C2CC2)nc1 95941043 ZLRPFZIVIZAGAO-UHFFFAOYSA-N 307.350 2.435 0 40 DEAB Cc1nc(COC(=O)c2ccccc2S(C)(=O)=O)cs1 8316395 XTSDRUSKUSEUFN-UHFFFAOYSA-N 311.384 2.212 0 40 DEAB COc1ccc(N[C@@H](C)C(=O)NCCc2cccs2)cn1 71902409 QUOXFDRSBCTOQX-NSHDSACASA-N 305.403 2.311 0 40 DEAB C[C@H]1CN(CCc2cccs2)CCN1Cc1nccn1C 69489251 XDNONAJESNTRAW-AWEZNQCLSA-N 304.463 2.230 0 40 DEAB CC[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)N(C)C)CCO1 69453825 KVMNWASGXDAIFZ-ZIAGYGMSSA-N 311.451 2.171 0 40 DEAB CC[C@H]1CN(C(=O)NCc2cnn(-c3ccccc3)c2)CCO1 69415057 KWRDSYGPTFWKDS-INIZCTEOSA-N 314.389 2.193 0 40 DEAB CCN(CC(=O)N(C)C)C(=O)c1ccc(Cl)c(Cl)c1O 69442801 CELFFDCFHKJKNI-UHFFFAOYSA-N 319.188 2.249 0 40 DEAB Cc1csc(-c2cccc(NCC(=O)N3CCNC3=O)c2)n1 69486998 PLZZNXCNYGGCGO-UHFFFAOYSA-N 316.386 2.082 0 40 DEAB Cc1cnn(C[C@H]2CCCN2Cc2nc(N)c3ccccc3n2)c1 69924889 ZSLRMYUIXRBCKA-CQSZACIVSA-N 322.416 2.382 0 40 DEAB Cc1ccc(N2CCCN(C(=O)c3ccc(F)cc3)CC2)nn1 84191747 KVUSLUBKGMCQQE-UHFFFAOYSA-N 314.364 2.277 0 40 DEAB CCC(=O)NCc1cc(OC)c(OC)cc1Br 71185252 DVIWGRXXFKIJKP-UHFFFAOYSA-N 302.168 2.493 0 40 DEAB O=C(NCc1cccc(-c2nc[nH]n2)c1)c1ccc(O)cc1F 97046096 MBFVJPSJVITDTD-UHFFFAOYSA-N 312.304 2.246 0 40 DEAB COC(=O)c1ccc(NC(=O)Cn2cnc3c2CCCC3)cc1 97046523 QZYCGXLWPMRABH-UHFFFAOYSA-N 313.357 2.187 0 40 DEAB CCC(CC)(CNC(=O)Cc1noc2ccccc12)C(=O)O 97020648 VVHMTRHTWQAWCB-UHFFFAOYSA-N 304.346 2.378 0 40 DEAB CCn1cnnc1CNC(=O)Nc1cc(Cl)ccc1N(C)C 72290972 KIODNSHSOMTSTP-UHFFFAOYSA-N 322.800 2.339 0 40 DEAB Cc1nc([C@H]2CCCN2Cc2nc(O)c3sccc3n2)no1 84281018 ZEDRUMVRUUZXBP-SNVBAGLBSA-N 317.374 2.425 0 40 DEAB Nc1nccnc1C(=O)Nc1cc(CCc2ccccc2)ccn1 95964161 DJYNCALHQXWSPT-UHFFFAOYSA-N 319.368 2.491 0 40 DEAB COc1cccc(-c2noc([C@@H](C)NCc3nnc(C)o3)n2)c1 97112445 DESUFTYTRYTAMV-SECBINFHSA-N 315.333 2.287 0 40 DEAB Cc1cc(C)n(C(=O)Cc2nc(Cc3ccc(F)cc3)n[nH]2)n1 72332554 OFTOORQNSAKABR-UHFFFAOYSA-N 313.336 2.231 0 40 DEAB CCn1cc(C2CCN(CC(=O)Nc3cc(C)no3)CC2)cn1 97203641 FAYCAALZVYBMSB-UHFFFAOYSA-N 317.393 2.018 0 40 DEAB Cn1cc([C@H]2C[C@H]2C(=O)NCc2ncc(-c3ccccc3)o2)cn1 84317848 KRFZLMOFIZQPQG-HUUCEWRRSA-N 322.368 2.495 0 40 DEAB CC(C)c1nccn1CCC(=O)NC[C@@](C)(O)c1ccco1 84631247 RAEXXSKLOWKKEL-MRXNPFEDSA-N 305.378 2.014 0 40 DEAB CC1CCN(c2ccc(C(=O)N[C@](C)(CO)C3CC3)cn2)CC1 84699985 UFQKEKWSENRQLY-GOSISDBHSA-N 317.433 2.209 0 40 DEAB CS(=O)(=O)NCCSc1cccc(Br)c1 69743100 BOKUQIUNVXEZHH-UHFFFAOYSA-N 310.238 2.090 0 40 DEAB c1cnnc(N2CCC(NCc3ccc4nc[nH]c4c3)CC2)c1 559252975 SXZHRFPRKVTYEZ-UHFFFAOYSA-N 308.389 2.112 0 40 DEAB CCCn1c(N2C[C@@H](C)C[C@H](C)C2)nc2c(C)nn(C)c2c1=O 32652962 ZTLMQROIOWAOEP-RYUDHWBXSA-N 317.437 2.331 0 40 DEAB CCC[C@H]1C[C@@H](C(=O)NCc2nccn2C(F)F)CCO1 183500779 BMARQTRGCYIHSP-QWRGUYRKSA-N 301.337 2.490 0 40 DEAB O=C(O)c1cc(C2CCN(C(=O)C[C@@H]3CCCCO3)CC2)no1 1548596715 DJHZKAFJMNEDCK-LBPRGKRZSA-N 322.361 2.038 0 40 DEAB CCCN(C(=O)CSCC(N)=O)[C@H]1CCc2ccccc2C1 79308786 JDZACVQFSYXPPY-HNNXBMFYSA-N 320.458 2.001 0 40 DEAB Cc1cc(S(=O)(=O)n2cccn2)c(C)cc1Br 32601875 JMEOYUCCYVHTNA-UHFFFAOYSA-N 315.192 2.499 0 40 DEAB CCOC(=O)c1csc([C@@H]2CCCN2c2ncccn2)n1 225633830 ZUJQJNPNHDCYMW-NSHDSACASA-N 304.375 2.451 0 40 DEAB COC[C@H]1CN(Cc2ccc(OC)cc2)Cc2nn(C)cc21 96060364 BLBLWEBVWZPATI-CQSZACIVSA-N 301.390 2.175 0 40 DEAB O=C1CCC2(CCN(c3ncccn3)CC2)N1Cc1ccncc1 96228215 NVPCUJBZBLGIEY-UHFFFAOYSA-N 323.400 2.033 0 40 DEAB COC[C@H](NC(=O)N1CCO[C@@H](Cc2ccccc2)C1)C1CC1 96494042 BAIAEQCPIMDYEQ-IRXDYDNUSA-N 318.417 2.065 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)o1 96048589 OUKHOWTZQAKBOW-RHSMWYFYSA-N 315.373 2.421 0 40 DEAB c1cnc(N[C@@H]2COC3(CCN(Cc4ccoc4)CC3)C2)nc1 96221554 ARTQYLXAAIWYFO-HNNXBMFYSA-N 314.389 2.305 0 40 DEAB Cc1ccc(N2C[C@]3(CCN(C(=O)N(C)C)C3)CC2=O)s1 96050893 BFQZLCVKZODEFD-OAHLLOKOSA-N 307.419 2.167 0 40 DEAB C[S@](=O)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1 97095449 YWDLEMGKSPYOGP-OAQYLSRUSA-N 321.364 2.313 0 40 DEAB CCCCc1nc(CN2CCO[C@@H](c3nc(C)c[nH]3)C2)c[nH]1 257227979 FRVWMLGIBZHXBM-CQSZACIVSA-N 303.410 2.357 0 40 DEAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2cccnc2)n1 257296757 REGVCFGCGHDTRA-GOSISDBHSA-N 310.401 2.450 0 40 DEAB Cc1cccc(CN2CCO[C@@H](CCc3ccnc(N)c3)C2)n1 257282114 OSJOBLGEXOBCGA-KRWDZBQOSA-N 312.417 2.201 0 40 DEAB Cc1cnc([C@H]2CCCN(C(=O)c3ccc(=O)n(C)c3)C2)s1 257228680 FUVCBOXXMNCNCI-LBPRGKRZSA-N 317.414 2.170 0 40 DEAB COc1ncccc1CNC(=O)NCCOc1cccc(C)c1 26384590 LXSAXTKUVSXSMN-UHFFFAOYSA-N 315.373 2.277 0 40 DEAB CCc1nnc(C)cc1C(=O)N[C@@](C)(C(=O)O)c1ccccc1 391233566 IUQBIBDIQGSOSY-QGZVFWFLSA-N 313.357 2.077 0 40 DEAB Cc1cccc(OC[C@]2(O)CCCN(C(=O)c3ccon3)C2)c1 585268975 GGMOPYMEHFWTRF-KRWDZBQOSA-N 316.357 2.029 0 40 DEAB COc1ccc(CN2CC[C@H]2C(=O)NCc2nccs2)cc1 585141028 OJCIKXKEUSBRMU-AWEZNQCLSA-N 317.414 2.042 0 40 DEAB CC(C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)c3ccnn3C)[C@H]2C1 585109577 BTVPIMMEPMWHID-XYJFISCASA-N 324.428 2.329 0 40 DEAB COc1ccc(-c2nnc(CN[C@H](C)Cn3cccn3)o2)cc1 65608503 QQHWYQTVUUQILE-GFCCVEGCSA-N 313.361 2.120 0 40 DEAB O=C(N[C@H]1CCCN(c2ncnc3ccc(F)cc23)C1)C1CC1 1058097209 QLYYHBLIJJMCLK-ZDUSSCGKSA-N 314.364 2.264 0 40 DEAB Cc1csc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)n1 44894650 RYGDTSQBURJENI-NSHDSACASA-N 319.361 2.333 0 40 DEAB C[C@H](NC(=O)c1cccs1)C(=O)N1CCc2ccccc2C1 41247890 HYSSTXONDJKCMB-LBPRGKRZSA-N 314.410 2.451 0 40 DEAB CNC(=O)c1cc(OC)c(OC)cc1NC(=O)C[C@H]1C=CCC1 41870831 SDDOEEANMOLUST-NSHDSACASA-N 318.373 2.358 0 40 DEAB CCCC(C)(C)NC(=O)c1cc(S(N)(=O)=O)c(C)s1 95350974 SWKHUAHBSYDEAP-UHFFFAOYSA-N 304.437 2.012 0 40 DEAB CC(C)c1nnc(NC(=O)COc2ccc3c(c2)OCO3)s1 5060933 WOVNHDKIJMDPLL-UHFFFAOYSA-N 321.358 2.408 0 40 DEAB O=C1N[C@H](Cc2ccccc2)C(=O)N1c1ccc2nccnc2c1 16022304 VXYFJVQWBIZIGA-MRXNPFEDSA-N 318.336 2.297 0 40 DEAB O=C(Cn1cncn1)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 19373838 XCQUAXRYBXKOCY-FZCLSBEQSA-N 310.401 2.367 0 40 DEAB O=C(CSCc1ccccc1)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 253403025 PGZNPSMMZWPWLZ-OAGGEKHMSA-N 321.442 2.373 0 40 DEAB c1cnc(N2C[C@H]3CN(c4nc5cnccc5s4)C[C@@H]3C2)nc1 1888875629 YTCQROLCRKKYCF-RYUDHWBXSA-N 324.413 2.054 0 40 DEAB COc1cc(NC(=O)c2cncc(C)n2)cc(OC)c1OC 1888881846 NLISBTQYYJSUSS-UHFFFAOYSA-N 303.318 2.063 0 40 DEAB CC[C@H](C)NCc1cc(Cl)c(OCC(N)=O)c(OC)c1 8326651 QTNWOEOVNFMBEW-VIFPVBQESA-N 300.786 2.101 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(N)n1C 28250797 HJYNEMKGROSDQG-UHFFFAOYSA-N 311.798 2.090 0 40 DEAB O=C(CCCc1ccccc1)N1CCCN([C@H]2CCOC2)CC1 1565522475 RFILVDNZLAHLJO-SFHVURJKSA-N 316.445 2.333 0 40 DEAB O=C1c2ccccc2CN1CCNC(=S)NC1CCCCC1 135738 CDYXOBCAZOYMKG-UHFFFAOYSA-N 317.458 2.439 0 40 DEAB CN(C)Cc1noc2c1C[C@@H](NC(=O)c1ccc(F)cc1)CC2 2055734493 BOUGCCOKMYHWMU-ZDUSSCGKSA-N 317.364 2.163 0 40 DEAB CO[C@@](C)(CNc1ncnc2c1cnn2C)c1ccccc1F 1775972641 PBBKZSYSWVTCED-INIZCTEOSA-N 315.352 2.476 0 40 DEAB O=C(Cn1cccc1)NC[C@H]1CCCN1c1nc2ccccc2o1 206774234 FOFFOHHMJHRLSD-CQSZACIVSA-N 324.384 2.415 0 40 DEAB COc1ccc(CNc2nc3[nH]c(C)c(Cl)c(=O)n3n2)cc1 101263144 QJSUEEGIZGKFNS-UHFFFAOYSA-N 319.752 2.000 0 40 DEAB CC(C)C[C@@H](C)N(C)C(=O)Cn1nc(-c2ccccc2)oc1=O 40068488 JVGDDZOYANZRRH-CYBMUJFWSA-N 317.389 2.396 0 40 DEAB C[C@@H](NC(=O)c1cccc(N2CCNC2=O)c1)c1ccccn1 40553441 VFUGYZQZSCFJOC-GFCCVEGCSA-N 310.357 2.102 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)Cc2ccc(C)cc2)C1 40539273 JVDXMPVQCPBINP-HNNXBMFYSA-N 304.390 2.275 0 40 DEAB C[C@@H](c1ccccc1F)N(C)CCN1C(=O)NC(C)(C)C1=O 52074488 CMQIASLTQRLCDI-NSHDSACASA-N 307.369 2.149 0 40 DEAB Cc1nnc(NC(=O)c2cc(=O)c3cc(F)ccc3o2)s1 21807441 UXFFKQBLEUNNER-UHFFFAOYSA-N 305.290 2.344 0 40 DEAB O=C(N1CCN(c2ccccn2)CC1)C1(c2ccccc2)CC1 41501315 FSAPJOYRRWIQOA-UHFFFAOYSA-N 307.397 2.462 0 40 DEAB CCOC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CC[C@H](C)C2 559074 ODKANDXYPWPVRA-VIFPVBQESA-N 319.382 2.479 0 40 DEAB CCc1nnsc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C 22683180 YOALEFXRWTYDEX-CYBMUJFWSA-N 322.409 2.272 0 40 DEAB CC(C)COC1CCN(c2ncc(C(N)=O)cc2Cl)CC1 54124248 QXLUUZOIOBBHAF-UHFFFAOYSA-N 311.813 2.475 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N2CCC(OCC(C)C)CC2)no1 54324838 YILJWJLDIYPFII-ZDUSSCGKSA-N 309.410 2.447 0 40 DEAB CC[C@H](C)OC(=O)Cn1nnc2sc3c(c2c1=O)CCCC3 958847 GGVKHLAJLJBABR-VIFPVBQESA-N 321.402 2.074 0 40 DEAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)OC 419280 MLXISIKUYIHFEB-UHFFFAOYSA-N 321.402 2.451 0 40 DEAB CC[C@H](C)c1c(N)n(S(=O)(=O)c2ccc(C)cc2)oc1=O 2044196 JIIAFFKUKJAABZ-JTQLQIEISA-N 310.375 2.082 0 40 DEAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1CCN2CCCC[C@H]12 106083104 YRIOMNMHOWBFND-WDEREUQCSA-N 307.423 2.164 0 40 DEAB Cc1cccc(C(=O)OCc2cc(=O)n3ccsc3n2)c1 3542693 VPMMMQCJBLWYDR-UHFFFAOYSA-N 300.339 2.421 0 40 DEAB NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1nccc(C(F)(F)F)n1 106518580 OWGATWBBSRZHBS-GUBZILKMSA-N 314.311 2.118 0 40 DEAB CCOCCOCC(=O)NCc1cccc(CN(CC)CC)c1 56983788 VFJAKYPTJVFIFM-UHFFFAOYSA-N 322.449 2.198 0 40 DEAB Cc1cc(C)c(CNCCCN2CCC(C(N)=O)CC2)c(C)c1 58014170 BYYUTWLAOIVDNJ-UHFFFAOYSA-N 317.477 2.289 0 40 DEAB COCCOc1ccc(CNC(=O)N2CCSC[C@@H]2C)cc1 172355589 LSJNGQXXHHWVJN-ZDUSSCGKSA-N 324.446 2.359 0 40 DEAB O=C(NCCc1ccccc1)NC[C@@H](O)c1cccc(F)c1 58192507 YSFAMIQTXGHTNW-MRXNPFEDSA-N 302.349 2.401 0 40 DEAB Cn1cc(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)cn1 58214173 UQTXMRKXHFVXBL-AWEZNQCLSA-N 316.380 2.410 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCC[C@@H](NC(=O)C(C)C)C2)c1 58218941 RJOQFJBLFQBNDQ-CYBMUJFWSA-N 304.390 2.077 0 40 DEAB COc1ccc(COC[C@@H](O)CNC(=O)CC2CCCC2)cc1 58357947 PZEGIARVMLSMAM-INIZCTEOSA-N 321.417 2.269 0 40 DEAB Cn1cc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)cn1 58561567 VCQAYCDLGZEXMR-UHFFFAOYSA-N 323.462 2.305 0 40 DEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3cccc(F)c3)cc2o1 11174716 UKLMZCZYBVKWHI-UHFFFAOYSA-N 308.290 2.061 0 40 DEAB Cc1ccsc1S(=O)(=O)N1CCC2(CC(N(C)C)C2)C1 108525612 IDEIYPPCNOSHGN-UHFFFAOYSA-N 314.476 2.161 0 40 DEAB COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@H]1CC[C@@H](O)C3 103836455 SADZCZSUWMSOCW-ZXTQRBJTSA-N 303.402 2.060 0 40 DEAB O=C(N=c1[nH]c2ccccc2[nH]1)c1ccccc1N1CCOCC1 61108159 NKBJQQJZMBTPGY-UHFFFAOYSA-N 322.368 2.074 0 40 DEAB CC(=O)c1ccc(N2CCN(CN3CCSC3=O)CC2)cc1 12643238 UTTCWYAYUGHEGO-UHFFFAOYSA-N 319.430 2.138 0 40 DEAB CC(C)N1CC[C@H](N(C)C[C@@H]2OCCc3ccccc32)C1=O 110658088 HMNMJTSVJGWOTM-IRXDYDNUSA-N 302.418 2.242 0 40 DEAB C=Cn1nnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 10119687 CNCSWGOBYFAPAE-UHFFFAOYSA-N 314.132 2.098 0 40 DEAB COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21 3648645 XLXYRBAJDVPLEG-UHFFFAOYSA-N 314.385 2.387 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)N2CCCCCC2)c1 13084124 TUFPXCYXGWJDEM-UHFFFAOYSA-N 307.346 2.175 0 40 DEAB COc1ccc([C@H](NCc2cnnn2C)C2CCOCC2)cc1 92852789 WAWXTDOEGSPAAF-KRWDZBQOSA-N 316.405 2.081 0 40 DEAB Cn1ncc2c(=O)n(Cc3ccc(C(F)(F)F)cc3)cnc21 9112835 CVTIHRPKTDFSNB-UHFFFAOYSA-N 308.263 2.197 0 40 DEAB CCn1cc(CN(C)C(=O)c2ccc(OC)cc2OC)cn1 28222035 CSIHMXPSSBMKGH-UHFFFAOYSA-N 303.362 2.192 0 40 DEAB C[C@H](NC(=O)c1ccnc(Oc2ccccc2)c1)c1nncn1C 65625244 AHSMKSRMHNMECB-LBPRGKRZSA-N 323.356 2.493 0 40 DEAB O=C1N=C(Nc2ccccc2)N/C1=C\c1ccc2c(c1)OCO2 66166982 PGPHHJBZEGSUNE-JYRVWZFOSA-N 307.309 2.354 0 40 DEAB in-vitro CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2)cc1 5558773 DXIFZVFFJVFGBB-UHFFFAOYSA-N 322.361 2.328 0 40 DEAB Cn1cccc1[C@@H]1CCCN1Cc1cc(=O)n2ccsc2n1 7039348 HEXRRPYNMUYRFC-AWEZNQCLSA-N 314.414 2.432 0 40 DEAB C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccco1 7086195 HBIFTTCUFSTSOH-SECBINFHSA-N 314.263 2.338 0 40 DEAB O=C(O)[C@H]1CCN(Cc2cc(F)cc(Br)c2)C1 93996321 TVPZCRUGJUZGBG-VIFPVBQESA-N 302.143 2.495 0 40 DEAB CC(=O)c1ccc(N(Cc2c(C)noc2C)S(C)(=O)=O)cc1 68779071 XZVOBHMXYJCVHB-UHFFFAOYSA-N 322.386 2.460 0 40 DEAB COC(=O)CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 68717458 ZVPORPJFRNTLCK-BDAKNGLRSA-N 302.157 2.386 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2cc3c(C)nn(C)c3nc2C)C1 71825626 QQFHBFJKYGNXFW-ZDUSSCGKSA-N 316.405 2.226 0 40 DEAB C[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)n1cnc2ccccc21 71866479 NEEWITSINJKBMH-LSDHHAIUSA-N 323.400 2.485 0 40 DEAB CC(=O)N[C@]1(C(=O)NCc2cccnc2)CCCc2ccccc21 69349157 NPQDIJLDHBZLNX-LJQANCHMSA-N 323.396 2.066 0 40 DEAB C[C@@H]([C@@H](C)NCc1nccn1CC(F)(F)F)n1cccn1 69349668 PRNRJFJNXVZVKQ-MNOVXSKESA-N 301.316 2.381 0 40 DEAB CCc1sc(C(=O)N2CCN(C[C@H](O)CC)CC2)cc1C 71880957 BCSAGAOKGFWVCT-CYBMUJFWSA-N 310.463 2.148 0 40 DEAB Cc1oncc1C(=O)NCc1ccnc(OCC(F)(F)F)c1 69415542 VBQGWLBOBFYPHE-UHFFFAOYSA-N 315.251 2.249 0 40 DEAB CCc1nc(CNC[C@@H]2CCO[C@H]2c2cnn(C)c2)cs1 83830332 FAUATVHWJQUYLQ-XHDPSFHLSA-N 306.435 2.306 0 40 DEAB CCC(CC)NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O 69571554 WGNQHPUWYLQJAB-UHFFFAOYSA-N 317.364 2.354 0 40 DEAB COCCOCC(=O)N1CCC(Cc2ccc(F)cc2)CC1 69629320 LBIMNDZYRHSNMJ-UHFFFAOYSA-N 309.381 2.270 0 40 DEAB COC(=O)CCC(C)(C)NC(=O)COc1ccc(C)cc1OC 69811763 HGTXIWGDHWKHLH-UHFFFAOYSA-N 323.389 2.230 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCC[C@H](n2ccnc2)C1 69810825 PFLWOIMSACJOQU-HNNXBMFYSA-N 311.389 2.330 0 40 DEAB CS(=O)(=O)c1ccc(OCCNc2cccc(F)n2)cc1 69898906 WPWJVALRZUGEKA-UHFFFAOYSA-N 310.350 2.115 0 40 DEAB CCO[C@@H]1C[C@H]1C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 69945290 PDWRVCDCTOIQOQ-UKRRQHHQSA-N 319.401 2.277 0 40 DEAB 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2.461 0 40 DEAB O=C(c1cccc(-n2cc(Br)cn2)c1)N1CCC1 67139894 NNQQGJWIVKTXBG-UHFFFAOYSA-N 306.163 2.481 0 40 DEAB CCOC(=O)CN(Cc1ccccc1)C(=O)C[C@H]1CCCO1 67113265 TWIYHNIAKIGMTK-OAHLLOKOSA-N 305.374 2.147 0 40 DEAB CN(CC(C)(CO)CO)C(=O)c1cccc(-c2ccoc2)c1 97079707 DYZIDZSYIMFWKB-UHFFFAOYSA-N 303.358 2.010 0 40 DEAB C[C@@H](NCCN(C)C)C(=O)Nc1cc(Cl)ccc1Cl 22788407 SDODVEXMFINUSZ-SECBINFHSA-N 304.221 2.472 0 40 DEAB COCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 71896693 VKCGKNHSQFKYPZ-ZDUSSCGKSA-N 314.788 2.206 0 40 DEAB COc1cccc(N2CCN(Cc3ncc(Cl)n3C)CC2)c1 71875076 WTYGBVZLCLPZRI-UHFFFAOYSA-N 320.824 2.404 0 40 DEAB C[C@H](NC(=O)c1cccc(S(C)(=O)=O)c1)c1nccs1 69350663 FCYYXKXRWPOTHT-VIFPVBQESA-N 310.400 2.038 0 40 DEAB NC(=O)c1ccsc1NC(=O)CN1CCCc2ccccc21 8393865 WTHVXFFUNAAMBI-UHFFFAOYSA-N 315.398 2.238 0 40 DEAB CC[C@H](C)[C@@H](NC(=O)c1ccc(OC)c(OC)c1)C(=O)OC 69531417 OBBQDXAAZHZDQR-IINYFYTJSA-N 309.362 2.021 0 40 DEAB Cn1cc(CCC(=O)N2CCC[C@@H](c3nccs3)C2)cn1 72272015 GBQWSEHLHWBDQH-CYBMUJFWSA-N 304.419 2.215 0 40 DEAB CCCCCC[C@@](C)(NC(=O)c1cccc[n+]1[O-])C(=O)OCC 69900677 KQXQCFKRJFELEW-QGZVFWFLSA-N 322.405 2.342 0 40 DEAB COC[C@H](c1cccc(C(F)(F)F)c1)N(C)CC(=O)N(C)C 71910715 ZQNVRALSKUDEMQ-CYBMUJFWSA-N 318.339 2.413 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H](C)C3)c12 8942717 CIAJJLQEKMRNOR-SECBINFHSA-N 301.346 2.270 0 40 DEAB CCNC(=O)c1cc(N2CCC(OCC(C)C)CC2)ccn1 95395759 COENGLOLGZOIRJ-UHFFFAOYSA-N 305.422 2.473 0 40 DEAB CCS[C@H]1CCC[C@@H](NC(=O)NCc2nnc3n2CCC3)C1 84811948 AJMYVJYGOBIPSE-NEPJUHHUSA-N 323.466 2.088 0 40 DEAB C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@]2(CNC(=O)C2)C1 98018673 COIZLMLGQVBGIE-FUNAXGEOSA-N 316.376 2.358 0 40 DEAB O=C(NC[C@H]1C[C@]12CCc1ccccc12)N1CCC[C@@H]1CO 88619011 HIHPDSKQQYHVIS-IIDMSEBBSA-N 300.402 2.057 0 40 DEAB CC(C)c1nc(NS(=O)(=O)c2c(F)cccc2F)no1 95994117 LFPKMIOXJUORFY-UHFFFAOYSA-N 303.290 2.272 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)NCCc1ccc(S(C)(=O)=O)cc1 74663109 VRUDBNMEOSWIDP-LBPRGKRZSA-N 324.446 2.073 0 40 DEAB COc1ccccc1NCC(=O)NC[C@H](O)c1ccccc1C 89689191 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Cc1nn(-c2ccc(O)nn2)c2c1[C@H](c1ccncc1)CC(O)=N2 31818939 COEPRHABCUNKAH-NSHDSACASA-N 322.328 2.195 0 40 DEAB CCOC(=O)C1=NN(c2ccc(OCC)cc2)[C@](C)(C(=O)O)C1 71979640 ISKJZXMOYMOPHX-INIZCTEOSA-N 320.345 2.058 0 40 DEAB Nn1c(SCc2cccnc2)nc2cc(Cl)ccc2c1=O 71768844 UYOVSAXYMJCPDO-UHFFFAOYSA-N 318.789 2.451 0 40 DEAB Cc1nnc(NC(=O)[C@]2(C)Sc3ccccc3NC2=O)s1 40804272 MMTISIXNVKIXTC-CYBMUJFWSA-N 320.399 2.288 0 40 DEAB CN1CCC(c2nccnc2NCCC2(O)CCCC2)CC1 72365544 DSDUJCVIRPYZPV-UHFFFAOYSA-N 304.438 2.393 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc2c(c1)sc(=O)n2CC 225686268 HZGZPDIROOUSRF-UHFFFAOYSA-N 314.432 2.113 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Oc2nn(C)c3ccccc23)no1 226755174 VSIYLOBBNPNKLP-SNVBAGLBSA-N 300.318 2.276 0 40 DEAB CC1(C)CCc2cccc(NC(=O)[C@H]3CCS(=O)(=O)C3)c2O1 530044090 VGYQSBYJXYWUTC-LBPRGKRZSA-N 323.414 2.163 0 40 DEAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C)CC1 222748564 PMLGBHWEHGKPQM-CQSZACIVSA-N 302.418 2.107 0 40 DEAB CN(Cc1cscn1)S(=O)(=O)c1c(F)cccc1F 48313483 NQYUPTQMUHLDSY-UHFFFAOYSA-N 304.343 2.242 0 40 DEAB CN(Cc1cccnc1)C(=O)CC1CCC2(CC1)OCCO2 195577732 LGEUDCOZYMSDFF-UHFFFAOYSA-N 304.390 2.363 0 40 DEAB O=C(c1ccsc1)N1C[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 96053813 QMXPNEVRFAAXFV-GASCZTMLSA-N 313.426 2.347 0 40 DEAB CC1(C)CN=C(N2CCN(CCc3ccccn3)CC2)S1 96461287 FYLJXNDUTVBTQY-UHFFFAOYSA-N 304.463 2.123 0 40 DEAB O=C(c1ccncc1)N1CCN(c2ccncc2Cl)CC1 95437756 GQIYXQGFNDDGRF-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB c1ccc(-c2nnc(CSCc3nnnn3C3CC3)o2)cc1 96433416 MYYTXAYOTIVTCI-UHFFFAOYSA-N 314.374 2.491 0 40 DEAB CC[C@@H](CO)NC(=O)c1ccc2ccc(N(C)CC3CC3)n2c1 96146163 CJARHTREXXNEFM-HNNXBMFYSA-N 315.417 2.286 0 40 DEAB CS(=O)(=O)[C@@H]1CCCC[C@@H]1NC[C@@H]1CCOc2ccccc21 96491640 HTGBTFRTSVXSDE-JLJPHGGASA-N 323.458 2.498 0 40 DEAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1 96420020 NSABQBPLNWVYQV-KCJUWKMLSA-N 304.173 2.180 0 40 DEAB Cn1cc(CNC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cn1 97378873 QYAQJJPJKSYLDL-CVEARBPZSA-N 314.389 2.140 0 40 DEAB CS(=O)(=O)CCCNc1c(F)cccc1N1CCCC1 96476390 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OCCCNc1ncnc2c1cnn2-c1cccc(Cl)c1 17150063 MANWBDXJFOFTBX-UHFFFAOYSA-N 303.753 2.263 0 40 DEAB COc1cccc(-n2ccn(Cc3cccc(C)c3)c(=O)c2=O)c1 20488993 ZAWAQGDJVLNHGW-UHFFFAOYSA-N 322.364 2.365 0 40 DEAB COCCN1CCC(CNC(=O)c2ccc(F)c(F)c2)CC1 23127936 HYBQEBXTSGTLIJ-UHFFFAOYSA-N 312.360 2.053 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)Nc1ccccn1)C(=O)C2 100005445 NZJRKZFTKAPINZ-XHDPSFHLSA-N 308.403 2.219 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)COc2cccc(C)c2)C1 40160950 CBCJVFADQNVQIL-CQSZACIVSA-N 305.374 2.176 0 40 DEAB Cc1csc(N2CCN(C(=O)CCc3cccnc3)CC2)n1 30703593 QOZFLWPZQNIQKJ-UHFFFAOYSA-N 316.430 2.128 0 40 DEAB Cc1cccc(C(=O)NCc2cccc(N3CCCC3=O)c2)n1 31778352 OMUWZEJLNIBMBR-UHFFFAOYSA-N 309.369 2.447 0 40 DEAB Cc1ccc(S(=O)(=O)NCCc2ncc3ccccn23)s1 31773181 DOGLTMIVGKWLTH-UHFFFAOYSA-N 321.427 2.225 0 40 DEAB CCCc1noc([C@@H](C)n2nnc(-c3cccc(F)c3)n2)n1 31737208 LHLOBVDOUIESRU-SECBINFHSA-N 302.313 2.424 0 40 DEAB CC(C)COc1ccccc1[C@@H]1C=C(C(=O)O)Nc2ncnn21 101347899 ANAGDEJQOXCREQ-ZDUSSCGKSA-N 314.345 2.296 0 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CC(=O)Oc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 101601009 VPZWUWQRTGEOKA-IHYJYHRXSA-N 323.348 2.169 0 40 DEAB Cc1cccnc1NC(=O)c1cccc(CS(C)(=O)=O)c1 27651452 OGWNEKDLCGYZKU-UHFFFAOYSA-N 304.371 2.187 0 40 DEAB O=C(NCCc1ccc(OCc2ccccc2)cc1)c1cnn[nH]1 58218067 ZOCAVUIUDDYLNC-UHFFFAOYSA-N 322.368 2.356 0 40 DEAB C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)nc2)C[C@@H](C)O1 44914672 OBUCYFSKNKHMDV-OKILXGFUSA-N 318.421 2.001 0 40 DEAB Cc1cc2cc(Nc3ncnc4c3cnn4CCO)ccc2[nH]1 97200175 KONZDQCANLIPFJ-UHFFFAOYSA-N 308.345 2.352 0 40 DEAB CCN(CC)[C@H](CNC(=O)[C@@H](C)n1ccnc1)c1ccco1 58354799 HAWLLWSFXXOADU-ZIAGYGMSSA-N 304.394 2.236 0 40 DEAB Cc1nn(CCCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1Cl 101592692 OLIKPFBYKOTNGF-TXEJJXNPSA-N 309.797 2.410 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100405563 MCWVISRVZDGKFF-UXIGCNINSA-N 322.430 2.367 0 40 DEAB O=C(NC1=NCCS1)c1ccc(OCc2ccncc2)cc1 29794944 XQQIGPDTSZFNFU-UHFFFAOYSA-N 313.382 2.493 0 40 DEAB Cn1c(SCC(=O)O)nnc1-c1ccc(F)cc1Cl 116937274 IWZITWXDIGWZDG-UHFFFAOYSA-N 301.730 2.451 0 40 DEAB CS(=O)(=O)c1cccc(OCc2cccc(C(=O)O)c2)c1 37369446 UBOSAMZMIBILCS-UHFFFAOYSA-N 306.339 2.367 0 40 DEAB Cc1occc1C(=O)N1CCC(c2nnc3n2CCC3)CC1 47231265 QQEIKPBLCQQSBF-UHFFFAOYSA-N 300.362 2.146 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cnn(C)c1C 100141015 FLPSXJJPRBSFRR-HOCLYGCPSA-N 322.416 2.341 0 40 DEAB CS[C@H](C)C(=O)Nc1ccc(CN2CCN(C)CC2)cc1 48226677 ILOUYLBMWGVOHC-CYBMUJFWSA-N 307.463 2.124 0 40 DEAB C[C@@H](Sc1nncs1)C(=O)NCc1ccc2c(c1)OCO2 3413158 CBMJHXDZVPTAPG-MRVPVSSYSA-N 323.399 2.064 0 40 DEAB CC(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)O)cc2)c1 13091939 CQDPRQZFYZOEAK-UHFFFAOYSA-N 312.325 2.273 0 40 DEAB CC(C)CNC(=O)CN1CCN(c2cccc(Cl)c2)CC1 13061348 QTCQVRGTZOBHCG-UHFFFAOYSA-N 309.841 2.234 0 40 DEAB C[C@H](O)c1cn(C2CN(Cc3ccc(F)cc3Cl)C2)nn1 96000061 KEJFTHFAYHKQTP-VIFPVBQESA-N 310.760 2.181 0 40 DEAB CCOC(=O)N1CCN(CCCOc2ccc(F)cc2)CC1 39985801 JSOHAFIHKJGIIB-UHFFFAOYSA-N 310.369 2.369 0 40 DEAB Cn1cc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1=O 65531935 OLCOSMSKCWBZBD-SFHVURJKSA-N 319.364 2.300 0 40 DEAB CC(C)[C@H](C(=O)NCc1ccccc1-n1cccn1)N(C)C 65576065 UGZOQFKKKOTTEG-MRXNPFEDSA-N 300.406 2.075 0 40 DEAB Cc1nc([C@H]2CCCN2c2ncc(Br)cn2)no1 84281091 ZUIFEHKFFGHEAK-SECBINFHSA-N 310.155 2.272 0 40 DEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(N)=O)cc1 14197405 BYEVNUJESQGTRG-UHFFFAOYSA-N 304.371 2.001 0 40 DEAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1O 409147944 WZXZILBFHBIHLM-UKTHLTGXSA-N 323.370 2.474 0 40 DEAB CCS[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)c1cccs1 96450450 OVCNDUXZYBIOJY-WDEREUQCSA-N 312.460 2.268 0 40 DEAB COc1cccc(-c2nnc(S[C@@H](C)C(=O)N(C)C)n2C)c1 9516950 OQGMTNSYRHQJQQ-JTQLQIEISA-N 320.418 2.060 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N(C)C1CCCCC1 7390097 TYZSSUDVIJNYOD-UHFFFAOYSA-N 313.401 2.496 0 40 DEAB C[C@@H](CNC(=O)N1CCC[C@H](O)C1)Oc1cccc(Cl)c1 80496837 DKWUHDMYJRCKPQ-AAEUAGOBSA-N 312.797 2.274 0 40 DEAB Cc1cc(C)n(Cc2cccc(NC(=O)c3ccc(O)nn3)c2)n1 71889144 WBZWRELVQKPWTF-UHFFFAOYSA-N 323.356 2.296 0 40 DEAB C[S@@](=O)c1nncn1Cc1csc(Cc2ccccc2)n1 71804159 URIMYQQSYDVFNC-NRFANRHFSA-N 318.427 2.111 0 40 DEAB CCCC(=O)Nc1cccc(N2C(=O)[C@@H](C)NC2=S)c1C 63180757 FDYMKNOALYNWMJ-SNVBAGLBSA-N 305.403 2.343 0 40 DEAB CCN1CCN(C(=S)NCCSc2ccccc2)CC1 7926032 MIQKEFMSCBQIQL-UHFFFAOYSA-N 309.504 2.291 0 40 DEAB O=C(NCCNC(=O)[C@H]1CC=CCC1)c1c(F)cccc1F 71902951 ZJODVVZFWZAYKH-NSHDSACASA-N 308.328 2.167 0 40 DEAB CCC(=O)NCCCNC(=O)c1ccc(Br)cc1 69492632 ZKWADPLOFSYQGR-UHFFFAOYSA-N 313.195 2.095 0 40 DEAB COC(=O)[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 69537077 OSQSZZLJDGDIRX-HZPDHXFCSA-N 311.337 2.021 0 40 DEAB FC(F)(F)c1cc(NCCN2CCCCC2)n2ncnc2n1 69743239 CROGCUJQCSEVMA-UHFFFAOYSA-N 314.315 2.041 0 40 DEAB COC(=O)CN(C)C(=O)c1cccc2c3c([nH]c12)CCCC3 95349372 TZVPWQBXMIKOHJ-UHFFFAOYSA-N 300.358 2.292 0 40 DEAB Cn1cc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cn1 95446300 NYIBXNVTXMIMBY-UHFFFAOYSA-N 321.327 2.134 0 40 DEAB C[C@](NC(=O)c1ccc(-c2cnco2)cc1)(C(=O)O)C1CC1 95989624 YXIPJKDURYVVKY-MRXNPFEDSA-N 300.314 2.325 0 40 DEAB CN(C(=O)[C@@H]1Cc2ccccc2S1)c1ccc(C(N)=O)cc1 95953808 YVMJGMIAAJTFMS-HNNXBMFYSA-N 312.394 2.465 0 40 DEAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccnc2)C1=O 409018175 YBPNISAPSXJUIL-FKVCUQLRSA-N 306.343 2.070 0 40 DEAB Cc1ccc([C@@H](CNc2ncccn2)N2CCOCC2)s1 75609826 ILAPALWPNVWNPH-CYBMUJFWSA-N 304.419 2.332 0 40 DEAB COCCOC[C@H]1CCN(C(=O)c2ccc3cc[nH]c3c2)C1 76067012 CDFXCRLFGRAEEB-ZDUSSCGKSA-N 302.374 2.293 0 40 DEAB CCOCCC(=O)/N=c1\[nH]c2ccc(Br)cc2[nH]1 76067312 OCSNQYUZKLLEIA-UHFFFAOYSA-N 312.167 2.112 0 40 DEAB CCn1nccc1CNc1cc(F)cc(N2CCOCC2)c1 119739568 IHNJIZQGIYLMNU-UHFFFAOYSA-N 304.369 2.491 0 40 DEAB Cc1ccccc1O[C@@H](C)CNC(=O)Nc1ccc[n+]([O-])c1 1517833990 SAMFHLWTABBIGQ-ZDUSSCGKSA-N 301.346 2.217 0 40 DEAB O=C(NC[C@@]1(O)CCOC1)N[C@H](CC1CCC1)c1ccccc1 183627386 CLJVPZXHHVTUIN-AEFFLSMTSA-N 318.417 2.369 0 40 DEAB C[C@@H](NS(=O)(=O)c1cccnc1)c1csc(C2CC2)n1 79035894 XVGZNXFCKGJRPG-SECBINFHSA-N 309.416 2.455 0 40 DEAB CC(C)N(CCO)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 79391714 FWERKJJHCWPUKE-KRWDZBQOSA-N 320.433 2.490 0 40 DEAB CCc1c(Cl)nc(C)nc1NC[C@H](c1cnn(C)c1)N(C)C 78290313 BSVIQOWADYFWTN-CYBMUJFWSA-N 322.844 2.449 0 40 DEAB O=C1N[C@@]2(CCOC2)C(=O)N1C/C=C/c1ccc(Cl)cc1 189111304 YRQQWHIMYBTGDD-BGTMTDRBSA-N 306.749 2.064 0 40 DEAB Cc1cc(C)n(-c2ccc(NC[C@H](O)Cc3ccccc3)nn2)n1 77964552 PKDRDPIHTLHWQD-MRXNPFEDSA-N 323.400 2.295 0 40 DEAB COCCS(=O)(=O)Nc1ccc(F)cc1C(F)(F)F 96466804 FEVNCLXFZJRRBG-UHFFFAOYSA-N 301.261 2.233 0 40 DEAB O=C([C@@H]1CCCO1)N1CC[C@H](OCCCc2ccccc2)C1 96456461 WSQHETPOAMIMFI-IRXDYDNUSA-N 303.402 2.416 0 40 DEAB Cc1ccc(CN2CCc3ncnc([C@H]4CCOC4)c3CC2)o1 96058638 DFIBGSSMTMMWMC-AWEZNQCLSA-N 313.401 2.483 0 40 DEAB Cc1nc([C@@H]2C[C@@H]3CCN(Cc4scnc4C)C[C@H]3O2)n[nH]1 96070719 ADROXMIBEVJDLY-RWMBFGLXSA-N 319.434 2.230 0 40 DEAB O=C(c1ccsc1)N1CCC2(CC1)COCCN2CC1CC1 96226181 MKGDTKAXIQRUPV-UHFFFAOYSA-N 320.458 2.465 0 40 DEAB O=C(CSc1ccncc1)N1CC[C@H](Oc2ccncc2)C1 244970190 HNOVIYMOUYGWPC-AWEZNQCLSA-N 315.398 2.249 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN2CCC[C@H]2C1 249823859 IJCLQIGYTURSIS-JSGCOSHPSA-N 308.809 2.414 0 40 DEAB Cc1cc(C2CCN(C(=O)c3cnco3)CC2)nc2ccnn12 257243105 IFMNCDFPDCYIGZ-UHFFFAOYSA-N 311.345 2.046 0 40 DEAB Cc1nc(C(=O)N2CCO[C@H](Cc3ccc(F)cc3)C2)co1 299850429 FVKXACJOFIJUNK-CQSZACIVSA-N 304.321 2.206 0 40 DEAB COCC1(CNC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)CCC1 252509705 YTOVKXKKXGQQID-LBPRGKRZSA-N 322.453 2.084 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2cncc(-c3nccn3C)n2)ncn1 257337558 YTHFVUGFRVSGIX-OAHLLOKOSA-N 321.388 2.317 0 40 DEAB CC(C)Oc1ccc([C@@H]2CNCCN2Cc2c[nH]cn2)cc1 257204545 AVCKOSBADKTXKY-KRWDZBQOSA-N 300.406 2.343 0 40 DEAB O=C(N[C@@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1)c1ccccc1 585110265 YYVPDLFHYDNOAT-RCCFBDPRSA-N 307.397 2.474 0 40 DEAB CC(=O)N1CCc2cc(C(=O)NCc3nc(C)cs3)ccc21 29886273 UYUJVLVOBGRRGG-UHFFFAOYSA-N 315.398 2.291 0 40 DEAB Cc1cc(C[S@@](=O)[C@@H](C)C(=O)N2CCc3ccccc32)on1 71859042 TZHLFJCBKVGSRB-YTEVENLXSA-N 318.398 2.210 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(c3ncnc(C)c3C)C2)nc1 1776000656 DDWNJUUXEFTVDM-HNNXBMFYSA-N 313.405 2.487 0 40 DEAB COc1ncccc1NS(=O)(=O)c1cc(F)ccc1F 48655103 MOAHSHUXXKYLHN-UHFFFAOYSA-N 300.286 2.169 0 40 DEAB Cc1ccc(OCC(=O)N2CCN(CC(F)(F)F)CC2)cc1 38679230 FOKAKJARZQFTRK-UHFFFAOYSA-N 316.323 2.080 0 40 DEAB CN(CC(F)F)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 83859006 CRFNMTJTGGOBDC-CQSZACIVSA-N 312.360 2.001 0 40 DEAB CN(CCN[C@H](c1ccc(Cl)cc1)C1CC1)S(C)(=O)=O 96493137 VLAWXSHDMKZQRF-AWEZNQCLSA-N 316.854 2.272 0 40 DEAB O=C(O)c1cn(C2CCCC2)nc1I 1548918720 DIVOGDLXNQRGBS-UHFFFAOYSA-N 306.103 2.301 0 40 DEAB COC(=O)c1cc(I)cc(Cl)c1N 147724619 ILDAJGVKPFOKBT-UHFFFAOYSA-N 311.506 2.313 0 40 DEAB CCCNC(=O)[C@@H](CC)N(c1ccc(C)cc1)S(C)(=O)=O 13713613 GMQGHTJSEGFHEC-CQSZACIVSA-N 312.435 2.066 0 40 DEAB COc1ccc(CN2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)cc1OC 19019578 ISEGNANEYCKJCW-CVEARBPZSA-N 318.417 2.147 0 40 DEAB CC(=O)N1CC[C@H](C(=O)NCC(C)(C)c2ccc(F)cc2)C1 19748080 RBYLKYOQBVPZBO-ZDUSSCGKSA-N 306.381 2.088 0 40 DEAB CCc1nc(CN2CCCN(c3ccc(F)cc3)CC2)n[nH]1 157746187 VXNBARRYMSSPOG-UHFFFAOYSA-N 303.385 2.219 0 40 DEAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cnc(C3CC3)nc2)C1 103088218 RVDFKSJGJYQFHV-ZDUSSCGKSA-N 316.405 2.331 0 40 DEAB CC(C)N1CCC[C@@H](CNC(=O)c2cccc3oc(O)nc23)C1 557574544 HRHNIMDCQIJUQJ-LBPRGKRZSA-N 317.389 2.384 0 40 DEAB Cc1noc(C)c1C(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390826601 ATTRBBHZYCJQGD-CYBMUJFWSA-N 304.350 2.309 0 40 DEAB COc1cc(C)cc(OC)c1OCC(=O)Nc1cc(C)on1 5440017 BZOWCKGZWUASHW-UHFFFAOYSA-N 306.318 2.326 0 40 DEAB CNC(=O)NC(=O)CSc1nccn1-c1cc(C)ccc1C 10879419 SMGWUFOHPYNBDG-UHFFFAOYSA-N 318.402 2.037 0 40 DEAB CC(C)N1C[C@@]2(CCN(CCc3ccccc3)C2)COCC1=O 2037980792 IVUQTRUWPDVRAR-IBGZPJMESA-N 316.445 2.188 0 40 DEAB CNC(=O)[C@@H]1CCC[C@@]12CCN(C(=O)c1cccc(F)c1)C2 1565543145 KPUQLIIGDFIQFX-YOEHRIQHSA-N 304.365 2.204 0 40 DEAB O=C(N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCC1 5195341 MZGCRKDEVSYZBV-GFCCVEGCSA-N 307.781 2.251 0 40 DEAB O=C(CCCc1ccccc1)NCc1cn(-c2cccnc2)nn1 575617487 CVMOUURAVVSIIT-UHFFFAOYSA-N 321.384 2.301 0 40 DEAB Nc1nc(SCc2cccnc2)nn1C(=O)c1ccccc1 20086041 MFOCQYCXJZFIKP-UHFFFAOYSA-N 311.370 2.236 0 40 DEAB COC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2)cc1 78449 GXBPYPUPXNAFKQ-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB biogenic CSCC[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)O 40312629 LKGDPJNMPZUZLB-ZDUSSCGKSA-N 320.414 2.354 0 40 DEAB biogenic COc1ccc(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc1OC 41194716 INOSGLVKSDLSNX-KGLIPLIRSA-N 305.374 2.487 0 40 DEAB COc1cc(C(=O)O[C@H](C)CN2CCCC2)cc(OC)c1OC 531405 MXLXLDMDPYBBDH-GFCCVEGCSA-N 323.389 2.354 0 40 DEAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(N)=O 22841678 UNVYBDZUKKVHFN-UHFFFAOYSA-N 308.334 2.034 0 40 DEAB CCC(=O)Nc1ccc(NC(=O)NCc2cnn(C)c2)cc1C 54410744 HAEAKHKXXRVBJY-UHFFFAOYSA-N 315.377 2.399 0 40 DEAB O=C(NCc1nnc2ccccn12)c1cc(Cl)ccc1O 23644726 JRSDUAVINHBIAA-UHFFFAOYSA-N 302.721 2.018 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc(-c2cccs2)[nH]n1 78484375 GVKPYLAXJXNCRN-LLVKDONJSA-N 304.419 2.352 0 40 DEAB O=C1Cc2cc(NC(=O)c3cccnc3N3CCCC3)ccc2N1 78703775 QSAGLFSGAFDQLS-UHFFFAOYSA-N 322.368 2.429 0 40 DEAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1ccc(F)c(F)c1 79001131 TWDLXLZEFQLZNW-GXTWGEPZSA-N 301.358 2.341 0 40 DEAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCO[C@H]2CCCC[C@@H]21 79314367 ZOEOICXHOBEAER-HOTGVXAUSA-N 312.369 2.312 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 4809547 MCWVISRVZDGKFF-NJZAAPMLSA-N 322.430 2.367 0 40 DEAB COc1ccc2ccc(OC)c([C@H]3CC(=O)Nc4ncnn43)c2c1 6647297 OGZRMHKMKPTYES-CYBMUJFWSA-N 324.340 2.380 0 40 DEAB NC(=O)c1cc(Cl)ccc1OCC(=O)NC1CCCCC1 7022579 OKYQSEOSAIBOFV-UHFFFAOYSA-N 310.781 2.267 0 40 DEAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cnsn1 55946731 QDCYMIVXZXNIFV-OLZOCXBDSA-N 307.350 2.327 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cccc(OCCN(C)C)c1 56890609 XECURQXGWWAKRW-UHFFFAOYSA-N 317.389 2.162 0 40 DEAB CC[C@H](CO)N(Cc1ccco1)C(=O)c1cc2ccccn2n1 55183310 NGGIOQUUUKTGPW-CYBMUJFWSA-N 313.357 2.341 0 40 DEAB CN(CC1CC1)C(=O)C1CCN(C(=O)NCc2ccco2)CC1 58087177 HLPMTRXPORJAIR-UHFFFAOYSA-N 319.405 2.070 0 40 DEAB C[C@H](C(=O)NC1CCCC1)N1CCC(c2ccnn2C)CC1 58292617 JNBIKTARSZSGMB-CYBMUJFWSA-N 304.438 2.047 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)NCc2csc(C)n2)cc1 44967336 XLOLMHWHIZRYDQ-AWEZNQCLSA-N 305.403 2.293 0 40 DEAB CC(C)CCNC(=O)C1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 58312730 FGELZHPGTVQHHE-CQSZACIVSA-N 324.465 2.202 0 40 DEAB COc1ccc([C@H](C)NC[C@@H]2CNc3ccnn3C2)c(OC)c1 58312054 ALJBSDIEGAYEIP-QWHCGFSZSA-N 316.405 2.293 0 40 DEAB O=C(NCCCn1cncn1)c1ccc(F)c(C(F)(F)F)c1 58378311 YNPDALFEZUIYOZ-UHFFFAOYSA-N 316.258 2.256 0 40 DEAB O=C(Nc1ccc(-c2ccccc2)cn1)[C@H]1CCS(=O)(=O)C1 58418252 XWPDQRLCKSLMGP-AWEZNQCLSA-N 316.382 2.122 0 40 DEAB Cc1cc(C)c(CN2CCC[C@H](CNS(C)(=O)=O)C2)c(C)c1 58440325 KTXCCORTPCMMRD-MRXNPFEDSA-N 324.490 2.373 0 40 DEAB COc1ccc(/C=C/C(=O)N[C@H](CCSC)C(=O)O)cc1 2626438 ARVMHKTZMCUMDI-OQHXTRMZSA-N 309.387 2.031 0 40 DEAB C[C@H](OC(=O)c1ccc(N(C)C)cc1)C(=O)NC1CCCC1 2642981 DAJJXFUVXKSCMN-LBPRGKRZSA-N 304.390 2.357 0 40 DEAB Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1cc(C)on1)C2 12274243 FXPCVIBPRTZFAF-INIZCTEOSA-N 300.314 2.402 0 40 DEAB Cc1csc(=O)n1CC(=O)NCCc1cccc(Cl)c1 12622459 BSZLMPQMEZOCRT-UHFFFAOYSA-N 310.806 2.231 0 40 DEAB C[C@H]1COCCN1C(=O)NCc1ncc(-c2ccccc2)o1 48230132 SCFDQCZLQCWUQR-LBPRGKRZSA-N 301.346 2.272 0 40 DEAB CCO[C@H](CC)C(=O)NCc1cc(OC)c(OC)cc1OC 48285946 NXTJDUPWWRTEAD-GFCCVEGCSA-N 311.378 2.144 0 40 DEAB COc1ccc(CNC(=O)c2cc(-c3cccnc3)on2)cn1 48345703 GQRUYKYZLOWKDD-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB CC(=O)c1ccccc1OCCOc1cccc(-n2cnnn2)c1 12998298 XPBGSSLLYAQLFH-UHFFFAOYSA-N 324.340 2.323 0 40 DEAB O=C(O)[C@H]1CN(C(=O)Cc2ccc(F)cc2)c2ccccc2O1 13435194 SQOXBLNYIBONFB-OAHLLOKOSA-N 315.300 2.247 0 40 DEAB CC(C)COC1CCN(S(=O)(=O)N2CCC[C@@H](C)C2)CC1 84697544 VVDPDBDAYZEKLR-CQSZACIVSA-N 318.483 2.100 0 40 DEAB O=C(Nc1cc(-c2ccccc2)on1)N[C@@H]1CCc2ncnn2C1 97104129 GPFXWHTYHUNOOX-GFCCVEGCSA-N 324.344 2.070 0 40 DEAB CCc1c(C(=O)N[C@@H]2CCc3nccn3C2)cnn1C(C)(C)C 97197874 VKEZJCZUSLQRGS-GFCCVEGCSA-N 315.421 2.142 0 40 DEAB CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 14234543 UMPHWRLKYQKMHD-UHFFFAOYSA-N 316.810 2.473 0 40 DEAB NC(=O)c1ccccc1Oc1nc2ccccc2n2cnnc12 5421440 UNGDOIJLILFJNH-UHFFFAOYSA-N 305.297 2.169 0 40 DEAB COC(=O)CN1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O 4694702 FVFPKZVYEQVWRH-KPKJPENVSA-N 321.354 2.213 0 40 DEAB Cc1nnc(-n2nccc2/C=C/c2ccc(Cl)cc2)n1N 5669844 URCCHXYPIIPBBA-QPJJXVBHSA-N 300.753 2.310 0 40 DEAB CCOc1ccccc1-n1nnc(C(=O)O)c1-c1ccccn1 67323671 JUPPWYNLTQGTDF-UHFFFAOYSA-N 310.313 2.426 0 40 DEAB in-vitro Cc1nc(C)n(C[C@H]2CCCN(c3ncnc4c3CCC4)C2)n1 71859584 PAKYWHXOYZXYLR-AWEZNQCLSA-N 312.421 2.090 0 40 DEAB C[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)n1cnc2ccccc21 71866485 NEEWITSINJKBMH-CABCVRRESA-N 323.400 2.485 0 40 DEAB CN(C)c1ncccc1NC(=O)c1cc(=O)[nH]c2ccccc12 83854169 XLYZUWVGJHXZMV-UHFFFAOYSA-N 308.341 2.241 0 40 DEAB CC[C@](C)(CO)NC(=O)Nc1cccc(C(=O)NC(C)(C)C)c1 72313586 APRYXFIURNKMJU-QGZVFWFLSA-N 321.421 2.497 0 40 DEAB Cc1cc(C)n2nc(CC(=O)N3CCCC[C@H]3C(C)C)nc2n1 71910097 GDROYZPCRYWESO-AWEZNQCLSA-N 315.421 2.321 0 40 DEAB O=S(=O)(CCN1CCOc2ccccc21)c1ccccc1 69157726 LZIHRWCRNRCPCO-UHFFFAOYSA-N 303.383 2.359 0 40 DEAB CC(C)[C@H](NC(=O)NCc1ccco1)c1nnc2n1CCC2 70014317 AJCZWDSSGBHEOK-ZDUSSCGKSA-N 303.366 2.014 0 40 DEAB CNC(=O)[C@@H]1Sc2nnc(CCC3CCCCC3)n2N=C1C 8315751 GLVLOIWICYIYGI-CYBMUJFWSA-N 321.450 2.235 0 40 DEAB O[C@]1(CNCC2(c3ccc(F)cc3)CCCC2)CCCNC1 72478365 BFTGUQNHRSMGLX-GOSISDBHSA-N 306.425 2.342 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COc1cccc(F)c1 69557591 BGIONMRZXLGCBQ-CVEARBPZSA-N 306.381 2.290 0 40 DEAB CC(=O)NC[C@@H](C)OC(=O)c1ccc(N2CCCCC2)cc1 97039127 HBTBQGRPFPIFIE-CYBMUJFWSA-N 304.390 2.358 0 40 DEAB Cc1ncsc1C(=O)N[C@H](C(=O)O)c1ccc(F)c(F)c1 97036666 DINBEMXKHWPBCZ-JTQLQIEISA-N 312.297 2.285 0 40 DEAB O=C(Nc1ccc(OC2CCCC2)c(F)c1)c1ccc(=O)[nH]n1 72297718 UGXFZVVUZAQQCX-UHFFFAOYSA-N 317.320 2.483 0 40 DEAB Cc1cc(CNC(=O)c2c[nH]nc2-c2ccc(F)cc2)on1 72274581 BYJSBTZZCZWDQI-UHFFFAOYSA-N 300.293 2.442 0 40 DEAB O=C(Nc1ccccc1)N1CCCN(C2CCOCC2)CC1 72291880 NDIWWNQKLWQXSC-UHFFFAOYSA-N 303.406 2.405 0 40 DEAB O=C(CCc1cccc(F)c1F)N1CCC[C@H](n2cncn2)C1 72235038 NWYZYUKQBHPASU-ZDUSSCGKSA-N 320.343 2.353 0 40 DEAB Cn1cc(N2CCC[C@@H](N[C@H]3CC(C)(C)OC3(C)C)C2)cn1 95423285 IZVYZKKSWMLDOH-HIFRSBDPSA-N 306.454 2.325 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O)C1CCC1 95440365 DNAOCIAWUWHNSX-MWLCHTKSSA-N 321.343 2.028 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)NCCCCn2ccnc2)C12CCC2 84800791 KGSMIVOKMFVOPF-HUUCEWRRSA-N 320.437 2.310 0 40 DEAB FC(F)(F)CN1CCCN(CCCN2CCCCC2)CC1 95946159 AVGVLVQLORCVSR-UHFFFAOYSA-N 307.404 2.432 0 40 DEAB O=C(CNS(=O)(=O)Cc1cccc(F)c1)c1cccs1 95944615 MCUYIEMYPWTRIT-UHFFFAOYSA-N 313.375 2.190 0 40 DEAB CN(C)Cc1ccnc(NS(=O)(=O)Cc2cccc(F)c2)c1 89319460 MRMLKVGRCGVJFJ-UHFFFAOYSA-N 323.393 2.224 0 40 DEAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCO[C@H]2CCC[C@@H]21 75125089 RUYJTUQPUKCQET-ZFWWWQNUSA-N 314.341 2.028 0 40 DEAB COC(=O)[C@@H](NC(=O)c1cncc(F)c1)c1ccc(F)cc1F 89874531 BJDAYCOOBUJWGL-ZDUSSCGKSA-N 324.258 2.143 0 40 DEAB CCCNC(=O)c1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 76020751 VNBQTUGLKVSGRD-UHFFFAOYSA-N 300.362 2.419 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@@H](CN)c2cccc(F)c2)C1 35622913 VRYSCJWEGYNXBY-CABCVRRESA-N 323.412 2.425 0 40 DEAB O=Cc1cc(Cl)cc(Cl)c1OCC(=O)N1CCOCC1 35662384 COQFRBPYKBLJOX-UHFFFAOYSA-N 318.156 2.044 0 40 DEAB COC(=O)[C@@H](C)NC(=O)c1cc(-c2ccccc2Cl)nn1C 72402954 ZBZZPTKAQYILOD-SECBINFHSA-N 321.764 2.032 0 40 DEAB Cc1cc(C)c(N2CC[C@@H](NCc3ccnn3C)C2=O)c(C)c1 188943623 JPMJEDWUFVSEJW-MRXNPFEDSA-N 312.417 2.240 0 40 DEAB Cc1nnc(NC(=O)[C@@]2(C)Sc3ccccc3NC2=O)s1 40804269 MMTISIXNVKIXTC-ZDUSSCGKSA-N 320.399 2.288 0 40 DEAB O=C(NCCCN1CCCC1=O)NCCc1ccc(Cl)cc1 40016033 IPYFRQCKAVTUTN-UHFFFAOYSA-N 323.824 2.194 0 40 DEAB CN(N)c1cc(I)c(C(F)(F)F)cn1 199545528 WXSAWMABHOCIGK-UHFFFAOYSA-N 317.052 2.015 0 40 DEAB Cc1noc(CSCC(=O)Nc2cc(C(C)(C)C)nn2C)n1 225568538 IBEUGLNFCPEYGT-UHFFFAOYSA-N 323.422 2.281 0 40 DEAB COc1cccc(Cl)c1CNC(=O)N1CCC(C)(O)CC1 190761017 PUBQXSKIJKHVIY-UHFFFAOYSA-N 312.797 2.405 0 40 DEAB O[C@@H](CN1CCN(Cc2ccncc2)CC1)c1ccc(F)cc1 96489110 GNPFMTGHJZQQOB-SFHVURJKSA-N 315.392 2.072 0 40 DEAB CC[C@@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1noc(C)n1 97237133 VYBMIVJWANWUAS-MRVPVSSYSA-N 315.251 2.382 0 40 DEAB CN(CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 95869820 HWSUHFJRCPJABL-UHFFFAOYSA-N 304.346 2.150 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCc2cccnc2N(C)C)C1(C)C 96415225 UALTYOBOAWJBCS-KGLIPLIRSA-N 320.437 2.150 0 40 DEAB O=S(=O)(C1CC1)N1C[C@H]2CCC[C@@]2(COc2ccccn2)C1 96109380 UHFJSOSFYSCLPI-CJNGLKHVSA-N 322.430 2.055 0 40 DEAB COc1ncccc1NC(=O)N[C@@H](C)Cc1c(C)nn(C)c1C 96434065 JPJYGJFALMFCTO-JTQLQIEISA-N 317.393 2.193 0 40 DEAB CCC(=O)N1CCC2(CC1)C[C@@H](CC(N)=O)c1ccc(F)cc12 96241812 GIFAWBOYMOTBJA-GFCCVEGCSA-N 318.392 2.459 0 40 DEAB COc1ncc(Cl)c(NCc2ccc([S@](C)=O)cc2)n1 95426320 CPNLOWBQXQOBAE-HXUWFJFHSA-N 311.794 2.488 0 40 DEAB Cc1ccc(C)c(CS(=O)(=O)CCS(=O)(=O)C(C)C)c1 96455459 ZUXWZYYAPZHURT-UHFFFAOYSA-N 318.460 2.041 0 40 DEAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1 96041011 UCVQFRRXAMLXGR-QEJZJMRPSA-N 306.431 2.006 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1cccc(C(=O)O)c1 344433992 ABFAOAULPBLRDQ-SNVBAGLBSA-N 315.373 2.155 0 40 DEAB C[C@H]1[C@H](CCN(C)C)COCCN1C(=O)Cc1cccc(F)c1 248146856 WAFLPYCIMWDTHP-GOEBONIOSA-N 322.424 2.183 0 40 DEAB O=c1onc(-c2cnccn2)n1CCSC1CCCCC1 252494719 OCQLPEBEIFZJBL-UHFFFAOYSA-N 306.391 2.359 0 40 DEAB CO[C@H]1CN(Cc2c(C)nc3sccn23)C[C@@]12CCCO2 257344422 ZXCVFZCHNZHPJF-ZFWWWQNUSA-N 307.419 2.084 0 40 DEAB Cc1cn(C)c([C@@H]2CN(Cc3ccnn3C(C)C)CCO2)n1 257246940 IWQUYSAEOWHLKA-HNNXBMFYSA-N 303.410 2.079 0 40 DEAB CC(C)(CO)NC[C@H](O)CCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 253531666 NMPWWLKZCVZQAN-ZXFNITATSA-N 313.482 2.329 0 40 DEAB Cc1cnc(CN2CCC3(CC(Nc4ccncn4)C3)C2)cn1 257337200 YRWGCERMAQSUJO-UHFFFAOYSA-N 310.405 2.042 0 40 DEAB Cc1[nH]ncc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 64521433 SXCLHTJNEVYYLT-ZDUSSCGKSA-N 318.446 2.422 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@H](OCc3ccccn3)CS2)C1 575404723 UWOADMMTACXRLO-VHDGCEQUSA-N 318.442 2.341 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575404724 UWOADMMTACXRLO-YUELXQCFSA-N 318.442 2.341 0 40 DEAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(C(=O)C(C)C)C2 575402442 ALBGOTNAOZEPLP-MRXNPFEDSA-N 318.417 2.323 0 40 DEAB Cc1ncc(CN(C)C[C@H]2CCCN2c2cccnn2)s1 71860054 ZMRFLGPSHPEAIC-CYBMUJFWSA-N 303.435 2.342 0 40 DEAB CN(C)C1CCN(C(=O)c2cncn2-c2ccc(F)cc2)CC1 71846632 CVVLLVJNEWVHMR-UHFFFAOYSA-N 316.380 2.178 0 40 DEAB Cc1cccc(NC(=O)Cn2c(=O)cnc3cccnc32)c1C 35259829 MYAGZTJZOVJEKS-UHFFFAOYSA-N 308.341 2.047 0 40 DEAB O=C(CC1CC1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1776008510 IYSUUGCZGQBLMX-UHFFFAOYSA-N 300.280 2.490 0 40 DEAB CCCS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 57003228 UKCWDHATIIZCEX-CYBMUJFWSA-N 311.403 2.335 0 40 DEAB Cc1cc(N2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)n2ncnc2n1 548892248 ZNIXXJFPVGAOFU-HUUCEWRRSA-N 320.400 2.005 0 40 DEAB OC1(c2ccc3c(c2)OCO3)CCN(Cc2cccnc2)CC1 12144509 SPLLJLRNSUEEJC-UHFFFAOYSA-N 312.369 2.294 0 40 DEAB CC(C)(C)NC(=O)CSc1nc2c3ccccc3ncn2n1 12981331 MQWLJGHHHYTYIL-UHFFFAOYSA-N 315.402 2.284 0 40 DEAB O=C(C1CCCC1)N1CCC[C@@H](c2ncc3c(n2)CCNC3)C1 19292291 TYAZJLJCGWAFIH-CQSZACIVSA-N 314.433 2.019 0 40 DEAB COc1ccccc1-c1nn(CN2CCOCC2)c(=S)o1 19534989 ZAGBRAGFCNIBRV-UHFFFAOYSA-N 307.375 2.171 0 40 DEAB Cc1cccc(CNC(=O)CC2CCN(C(=O)C(C)C)CC2)n1 19748351 SABBPSSCRQGEFH-UHFFFAOYSA-N 317.433 2.291 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 156778287 LUPDQAFSSQJFQD-QMMMGPOBSA-N 305.783 2.203 0 40 DEAB COc1ccc(NS(C)(=O)=O)cc1-c1ccc(C(=O)O)o1 226353032 MGVSFMJJGDNSQM-UHFFFAOYSA-N 311.315 2.025 0 40 DEAB Cc1cnc(C)c(OC2CCN(c3ccc4nccn4n3)CC2)n1 2087013813 KFDXRUSDJDLRJV-UHFFFAOYSA-N 324.388 2.184 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 3606033 DYYBCCJEIIFHNJ-UHFFFAOYSA-N 303.362 2.044 0 40 DEAB C[C@@]12c3ccc4c(c3C(=O)c3occ(c31)[C@@H](O)C[C@H]2O)CCC4=O 5853702 OSSCBUARECIOCW-KSMMKXTCSA-N 324.332 2.057 0 40 DEAB biogenic COC[C@H](C)NC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 79569129 MFLGOIAOANSBAY-SMDDNHRTSA-N 312.797 2.458 0 40 DEAB CN1CCc2cc([C@H](O)CNC(=O)c3ccsc3)ccc21 96362154 QLPLSHIRVZEMTM-OAHLLOKOSA-N 302.399 2.204 0 40 DEAB Cn1cnnc1[C@H]1CCCN(C(=O)CCc2ccsc2)C1 40522962 CXEBICNUQLQSCE-ZDUSSCGKSA-N 304.419 2.215 0 40 DEAB COc1ccccc1CC(=O)Nc1cccc(-n2nnnc2C)c1 41984616 HCUDTQNNNDIMCM-UHFFFAOYSA-N 323.356 2.161 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)nc1)c1cc(Cl)ccn1 22995320 QIQBPMUQFZTVPO-UHFFFAOYSA-N 318.764 2.219 0 40 DEAB CN(C(=O)CN(C)S(=O)(=O)c1cccs1)c1ccccc1 23292999 JBGBAYJMRFCNES-UHFFFAOYSA-N 324.427 2.032 0 40 DEAB Cc1ccccc1S(=O)(=O)N[C@H](CC(=O)O)c1ccccc1 134795 GCGWWUMSWFCKHC-CQSZACIVSA-N 319.382 2.489 0 40 DEAB Cc1cccnc1CNC(=O)NC1CC(C)(C)NC(C)(C)C1 105070598 RLLOAAKXUSOQFO-UHFFFAOYSA-N 304.438 2.498 0 40 DEAB COCCCNC(=O)Nc1ccc(OCC(F)(F)F)nc1 47597788 GHFGTJQRFKANOA-UHFFFAOYSA-N 307.272 2.181 0 40 DEAB C[C@H](NC(=O)N[C@H]1CCSc2ccccc21)c1nncn1C 43166224 LTNFXVXIFSLBGF-JQWIXIFHSA-N 317.418 2.412 0 40 DEAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1Cc2ccccc2O1 25009800 INKWVCUCXVTYNM-OAHLLOKOSA-N 306.325 2.210 0 40 DEAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccccn2)C1=O 6939095 IWXIBDHADNOHPL-UVIKPUKZSA-N 320.370 2.460 0 40 DEAB CCOc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1 7304358 ZVHJRLYJTMIMAV-UHFFFAOYSA-N 321.398 2.443 0 40 DEAB Cc1ccc(CSc2nc(=O)n(CCO)c3c2CCC3)cc1 10256607 IOLBRJCXMVZSBU-UHFFFAOYSA-N 316.426 2.325 0 40 DEAB O=C([C@H]1C[C@H]2[C@H](CCN2CCc2ccccc2)O1)N1CCCC1 107198141 HMJRDRVJKBNORI-OKZBNKHCSA-N 314.429 2.083 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 44867085 VRAFXBCIPOLCRD-LBPRGKRZSA-N 309.337 2.006 0 40 DEAB CCC(=O)[C@H](C)Sc1nnnn1-c1cc(OC)ccc1OC 58298336 MUTBGRQJXVWIQA-VIFPVBQESA-N 322.390 2.139 0 40 DEAB COc1cc(F)c(S(=O)(=O)N2CCC[C@H](C)C2)cc1OC 27932830 IGZGDZVHMHKRLS-JTQLQIEISA-N 317.382 2.264 0 40 DEAB COc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cn1 10498388 HVTPKLKZIFZWBR-UHFFFAOYSA-N 308.341 2.206 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 58598321 RBZIFRWAYQNRLC-UHFFFAOYSA-N 316.386 2.386 0 40 DEAB CCOC(=O)[C@@H]1S[C@]2(C(F)(F)F)C[C@]1(O)C(C)(C)CO2 100873791 GPTVOGPGALFQQS-XROYCOCOSA-N 314.325 2.101 0 40 DEAB CCc1nc2n(n1)[C@@H](c1c[nH]c3ccccc13)C=C(C(=O)O)N2 102334220 BEOWFBSCAKFBKV-CYBMUJFWSA-N 309.329 2.305 0 40 DEAB COc1cccc(N2N=N[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]32)c1 101277691 HZCDZYSJORTYCS-CABCVRRESA-N 322.324 2.193 0 40 DEAB Cc1ccccc1NC(=O)CNc1cccc(-n2nnnc2C)c1 29686790 XATYBNSPDHCLLN-UHFFFAOYSA-N 322.372 2.330 0 40 DEAB OCCN(Cc1ccno1)Cc1ccccc1Br 95395056 QRPGQCUTOFUTGQ-UHFFFAOYSA-N 311.179 2.432 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)c1cccs1 3357277 NFAOQXWWNJBIEQ-VIFPVBQESA-N 307.400 2.448 0 40 DEAB Cc1ccc(S(=O)(=O)N(Cc2nccn2C)C2CC2)cc1F 48355407 SMKUJUIFCZZBMT-UHFFFAOYSA-N 323.393 2.221 0 40 DEAB C[C@H](CNC(=O)[C@@H](C)n1cccn1)N1CCc2sccc2C1 48362187 OMJKRHNJJBSSMU-CHWSQXEVSA-N 318.446 2.069 0 40 DEAB COCCCN1CCCN(C(=O)[C@H](C)Cc2ccccc2)CC1 95395407 NPQQYOLGBVWDLR-QGZVFWFLSA-N 318.461 2.436 0 40 DEAB Cc1sc2nc([C@@H](C)Sc3n[nH]c(N)n3)[nH]c(=O)c2c1C 13598343 NVYIVPJVLANXME-ZCFIWIBFSA-N 322.419 2.155 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)C)c2)cc1 4148318 PUZMMVZRZYAIAQ-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB CCOC(=O)CN1C(=O)Nc2ccccc2C(=O)N1C(C)(C)C 4109970 HWHXGJKQGKUVLK-UHFFFAOYSA-N 319.361 2.253 0 40 DEAB CN1C=C(OC(=O)c2ccco2)c2ccccc2S1(=O)=O 13624958 CJGJTICLUZPMCT-UHFFFAOYSA-N 305.311 2.069 0 40 DEAB O=C1NC2(CCCC2)C(=O)N1CCCOc1ccc(F)cc1 9315962 FLGFJWQMGYFREI-UHFFFAOYSA-N 306.337 2.459 0 40 DEAB CS(=O)(=O)N(CC(=O)O)c1ccccc1Oc1ccccc1 19737429 BVVWZFYOVHDXHV-UHFFFAOYSA-N 321.354 2.330 0 40 DEAB FC(F)(F)Oc1ccccc1CNc1ccc2nnnn2n1 14135847 SXEXVPWDMWVQDV-UHFFFAOYSA-N 310.239 2.030 0 40 DEAB Cc1nc2c(C(=O)N(Cc3nccn3C)C3CC3)cccc2[nH]1 71730384 JXOUISLODBCCSX-UHFFFAOYSA-N 309.373 2.410 0 40 DEAB COc1ccccc1C[C@@H]1CCCN(CC(=O)NC2CC2)C1 66894670 KMULSCCOBFZWLG-AWEZNQCLSA-N 302.418 2.228 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H]2CCCSC2)n1 96452326 YIKGVBQVZUVLAQ-BXUZGUMPSA-N 310.467 2.331 0 40 DEAB Cc1cc(S(=O)(=O)N(C[C@@H]2CCOC2)C2CC2)ccc1F 96404252 YZULFYATDAOWCH-LBPRGKRZSA-N 313.394 2.324 0 40 DEAB CCn1cc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cn1 28231582 KFPIDILQOIRFPN-LLVKDONJSA-N 303.362 2.411 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12 71899994 BXIHZVOOTYTDII-SNVBAGLBSA-N 324.384 2.369 0 40 DEAB Cc1cn2nc(NCC[S@@](=O)Cc3ccccc3)sc2n1 71893760 MMAAAHLMDRWDDZ-NRFANRHFSA-N 320.443 2.460 0 40 DEAB CCCNC(=O)c1ccc(-n2nc(C)cc2NC(C)=O)cc1 23157213 DFBARRNFWOOCDE-UHFFFAOYSA-N 300.362 2.279 0 40 DEAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N(C)CCn1cccn1 71897633 NMYQXSIGSWLIME-GJZGRUSLSA-N 308.426 2.120 0 40 DEAB C[C@@H](Sc1nncs1)C(=O)N1CC(=O)Nc2ccccc21 7815963 OVEQGOVPCNQDTR-MRVPVSSYSA-N 320.399 2.004 0 40 DEAB CCCn1c(SC[C@@H]2OCCc3ccccc32)n[nH]c1=O 71908487 JPTWBHDQESOYAA-ZDUSSCGKSA-N 305.403 2.388 0 40 DEAB CC[C@@H](C)CS(=O)(=O)NCc1ncc(C)c(OC)c1C 71904699 KATQVFBZWJBPSL-SNVBAGLBSA-N 300.424 2.173 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1c(-c2ccccc2)noc1C 8097156 SZBBVDMPAUGDAN-LLVKDONJSA-N 315.373 2.295 0 40 DEAB CN(Cc1cnn(C)c1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 84318440 DBTFZUJVVTXMLF-OAHLLOKOSA-N 318.808 2.311 0 40 DEAB NC(=O)[C@@H](c1ccccc1)N1CCC(CN2CCCC2)CC1 69491385 WGVVZHBIPNZFBA-QGZVFWFLSA-N 301.434 2.021 0 40 DEAB Cc1ccc(-c2noc(CN3CCC[C@H]3Cn3cncn3)n2)cc1 69489564 BFAZQLQQFSLYGP-HNNXBMFYSA-N 324.388 2.301 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1nc(C)no1 69528718 IDBSUNFKKJUXIC-GJZGRUSLSA-N 320.437 2.176 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cnn2cccnc12 84012036 GIURVEVAPASLIU-AWEZNQCLSA-N 324.388 2.057 0 40 DEAB COCCN(Cc1cccnc1)C(=O)NCc1csc(C)n1 69763188 PXAXKLWYUUVDKZ-UHFFFAOYSA-N 320.418 2.205 0 40 DEAB Cc1nn2cccnc2c1C(=O)N1CCC[C@@H](n2ccnc2C)C1 69872840 GRGXJVSQAYGTCM-CQSZACIVSA-N 324.388 2.020 0 40 DEAB CCOc1ncccc1C(=O)Nc1nc(C)c(C(=O)OC)s1 8709195 AMKVGSGTRYLUEM-UHFFFAOYSA-N 321.358 2.284 0 40 DEAB O=C(O)C1(Cc2ccccc2Cl)CCS(=O)(=O)CC1 98213634 RVPHCMDMNKVJGE-UHFFFAOYSA-N 302.779 2.162 0 40 DEAB COc1cccc(CN(CC(=O)NC(C)C)C[C@@H]2CCCO2)c1 95955594 YPUDZXSHGGSZFH-KRWDZBQOSA-N 320.433 2.201 0 40 DEAB Cc1nc(NC(=O)N(C[C@H]2CCCO2)C[C@H]2CCCO2)oc1C 95955717 HGAQICKDUMKEOK-ZIAGYGMSSA-N 323.393 2.483 0 40 DEAB CCN(CCC(=O)O)C(=O)/C=C/c1ccc(OC)c(OC)c1 75249364 VCVDILFQFDKRIQ-SOFGYWHQSA-N 307.346 2.040 0 40 DEAB CCC[C@H]1SCCN1C(=O)c1ccc2c(c1)[nH]c(=O)n2C 89950082 JTMYQHCUJBHVQV-CYBMUJFWSA-N 305.403 2.182 0 40 DEAB CCCCn1ccnc1-c1cccc(NC(=O)CNC(C)=O)c1 89955515 RDALMKYWFJMZOG-UHFFFAOYSA-N 314.389 2.425 0 40 DEAB Cc1nc([C@@H]2CCCN2CC[S@@](=O)c2ccccc2)no1 75583920 YCPZHKGIQQBCOX-QKKBWIMNSA-N 305.403 2.323 0 40 DEAB CCCNC(=O)[C@@H](CCSC)NC(=O)c1cccc(C)c1 21045223 GWWOERGOHVGROC-CQSZACIVSA-N 308.447 2.373 0 40 DEAB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1cccc(Cl)c1 409383374 WZAIVRPHXJPCDH-BLTAXRJOSA-N 307.733 2.323 0 40 DEAB Cc1c(Br)c(C(=O)N2CCC(C)CC2)nn1C 32648450 SMRXCPHQWZQISC-UHFFFAOYSA-N 300.200 2.363 0 40 DEAB CN1CCC[C@H](Cc2cnc(C(=O)NC3CCCCC3)cn2)C1 72382860 DXIXJWRADYSPAP-CQSZACIVSA-N 316.449 2.423 0 40 DEAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 78404083 JKSSCCLVKUKPJP-GFCCVEGCSA-N 312.435 2.137 0 40 DEAB COc1ccccc1CC(=O)N1CC[C@H](Oc2ccncc2)C1 121297164 PLKWIAUYNGTFNZ-INIZCTEOSA-N 312.369 2.313 0 40 DEAB Cc1ccc(C)c(CC(=O)NC2(c3ncon3)CCOCC2)c1 184050785 ZOMRUTBALVIYDC-UHFFFAOYSA-N 315.373 2.051 0 40 DEAB O=C(c1ccc(Cn2cnc3ccccc3c2=O)o1)N1CCCC1 36358325 ATBIGQZKKPIQST-UHFFFAOYSA-N 323.352 2.274 0 40 DEAB C[C@@H]1CC[S@](=O)CCN1C(=O)Cc1nsc2ccccc12 563006524 QSVOSJROMHFDSK-FIKIJFGZSA-N 322.455 2.208 0 40 DEAB C[C@@]1(C(=O)NC2CCCC2)Oc2ccc(Cl)cc2NC1=O 41549839 ZDLGUFPAVPLIBN-HNNXBMFYSA-N 308.765 2.488 0 40 DEAB CC(C)(C)n1ncn(Cc2ccc(-c3ccccn3)nc2)c1=O 575603429 ACKHNEOWBOKTHW-UHFFFAOYSA-N 309.373 2.305 0 40 DEAB O=C(Cn1ncc2cccnc21)Nc1ccnn1-c1ccccc1 48194626 NEDAOKNHWNUSGA-UHFFFAOYSA-N 318.340 2.256 0 40 DEAB CN([C@@H](C(=O)NC1CCCCC1)c1ccccc1)S(C)(=O)=O 223901577 BAAIBSPIFYSZDF-OAHLLOKOSA-N 324.446 2.068 0 40 DEAB CCCc1occc1C(=O)N1CCC(c2nc(O)n[nH]2)CC1 572681697 CINHEQCFTLOTLG-UHFFFAOYSA-N 304.350 2.076 0 40 DEAB CCN1CCCN(C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 195530849 NYFOQYCFOFKLRU-MRXNPFEDSA-N 303.406 2.039 0 40 DEAB CNC(=O)/C=C/CNC(=O)c1cc(C)nc2c(C)cc(C)cc12 618254187 NBTLYOGKUUUMPX-AATRIKPKSA-N 311.385 2.192 0 40 DEAB Cc1cccc(OCCN2CCO[C@H](c3noc(C)n3)C2)c1 95958082 VYQGFEYFMHWENJ-HNNXBMFYSA-N 303.362 2.139 0 40 DEAB COc1ccccc1CC(=O)Nc1cnn([C@@H]2CCOC2)c1 96123178 CTXRRZLCSYHNBH-CQSZACIVSA-N 301.346 2.034 0 40 DEAB CCC[C@H]1CN(c2ncccn2)C[C@@H]1NC(=O)CC1CCC1 91616958 HLPOWIMJXAZSIZ-GJZGRUSLSA-N 302.422 2.388 0 40 DEAB Cc1ccc(CN2C[C@H]3CN(C(=O)c4cscn4)C[C@@H]3C2)o1 96245497 XCABEXJAPJJINF-STQMWFEESA-N 317.414 2.249 0 40 DEAB CCOC[C@H](O)CN1CCC[C@H](c2nc3ccc(C)cc3[nH]2)C1 96490632 OAHCTCXKPQYQCV-LSDHHAIUSA-N 317.433 2.448 0 40 DEAB COCCN1CCN(Cc2ccco2)Cc2ccc(C)nc21 96199021 QVJRTOWVPICFSN-UHFFFAOYSA-N 301.390 2.452 0 40 DEAB CC(C)[C@H](C)NC(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 96418194 GPRNTUHXZXSLBQ-JTQLQIEISA-N 319.373 2.386 0 40 DEAB CCS(=O)(=O)[C@H](C)[C@H](N)c1ccc(Br)cc1 96524812 CVBJEZKZUVHGJG-KCJUWKMLSA-N 306.225 2.272 0 40 DEAB O=C(NC[C@]12COC[C@H]1CN(C1CCCC1)C2)c1ccsc1 96208351 NWHMNZJKLJWUIM-PBHICJAKSA-N 320.458 2.369 0 40 DEAB COCCCN1CCCC12CCN(C(=O)c1cccnc1)CC2 96227927 ZJYHNQGHXXXJLX-UHFFFAOYSA-N 317.433 2.189 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](Oc2cc(NC3CC3)ncn2)C1 91351777 PHDFYBYSMOSPPI-GFCCVEGCSA-N 320.393 2.439 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCCN(c2ncccc2C(=O)O)C1 96515897 QDMWMEHWNZFCOR-LLVKDONJSA-N 321.377 2.273 0 40 DEAB COc1ccc([C@H](N)c2n[nH]c(COc3ccccc3)n2)cc1 95533648 SHHIZVSNSNPTCQ-INIZCTEOSA-N 310.357 2.440 0 40 DEAB O=C(c1ccccc1)N1CC2(C1)OCC[C@@H]2COc1cccnc1 247960062 WXWARLPFJAMJBE-MRXNPFEDSA-N 324.380 2.392 0 40 DEAB c1cc2n(n1)[C@H](CCN1CCCCC1)CN(C1CCOCC1)C2 253588467 DPUXDYPNKSFAIF-GOSISDBHSA-N 318.465 2.295 0 40 DEAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cccn2C)ccn1 257278320 OBUDBLHTABBWEB-GOSISDBHSA-N 312.417 2.393 0 40 DEAB Cn1cc(C(=O)N[C@@H](c2ccsc2)c2cccs2)nn1 390826889 QOYLEVYNSLLCQH-LBPRGKRZSA-N 304.400 2.458 0 40 DEAB COCC[C@@H](C)NC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 69869444 OMKSVEMXXWMJCY-LLVKDONJSA-N 317.393 2.431 0 40 DEAB COc1c([C@@H]2CCCN2Cc2nc(C3CC3)no2)c(C)nn1C 72253747 MGJFMXAGKNQDGK-LBPRGKRZSA-N 317.393 2.335 0 40 DEAB Cc1csc(CNC(=O)N2CCN(Cc3ccco3)CC2)n1 44895268 AWXQCOXHTWXYOB-UHFFFAOYSA-N 320.418 2.072 0 40 DEAB COc1cccc(NC(=O)NCc2cc3c([nH]c2=O)CCC3)c1 75138360 WNGBXGJKWHLQPS-UHFFFAOYSA-N 313.357 2.194 0 40 DEAB COc1cc(/C=C/C(=O)N2CCCCC2=O)cc(OC)c1OC 58185 HPXUNEGPCPQBQY-BQYQJAHWSA-N 319.357 2.265 0 40 DEAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CN1CCCC1 5730636 RVSRDNZLKOKNCE-WMZOPIPTSA-N 313.445 2.225 0 40 DEAB CCCCN[C@H](CC(=O)Nc1ccc(OCC)cc1)C(=O)O 16791130 VXOJRMYWQYHZBC-CQSZACIVSA-N 308.378 2.257 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CCCCN2N)cc1OCC(C)C 19169714 BQIKOYMNHSZVAB-AWEZNQCLSA-N 321.421 2.397 0 40 DEAB Cc1ccc(C2(O)CCN(CCNC(=O)[C@@H]3C[C@@H]3C)CC2)cc1 19208577 XHIRYQMXWMLIFV-DOTOQJQBSA-N 316.445 2.051 0 40 DEAB CCOC(=O)c1ncn2c1CN(C)C(=O)c1c(Cl)cccc1-2 2065 WSDBAFQWNWJTNG-UHFFFAOYSA-N 319.748 2.288 0 40 DEAB in-man O=S(=O)(Nc1nnc(-c2ccncc2)s1)c1ccccc1 4433421 PVAMKLJXSOCNSM-UHFFFAOYSA-N 318.383 2.401 0 40 DEAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)n1C 4931934 GDTXMBZGWSXGDC-UHFFFAOYSA-N 314.172 2.388 0 40 DEAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCCC2)c1 10032427 SEJGLLIDFDIMKM-UHFFFAOYSA-N 303.362 2.230 0 40 DEAB Cc1cnc(N2CCN(c3nc(C4CC4)nc(C)c3C)CC2)nc1 1888842823 JBNYKUSKCBRGTI-UHFFFAOYSA-N 324.432 2.396 0 40 DEAB CON(C)C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 14141325 VFCNGNWLHGUGIY-UHFFFAOYSA-N 309.325 2.019 0 40 DEAB O=C(c1cc(-c2ccccc2)n[nH]1)N1CC[C@@H](c2ncon2)C1 238832437 GFTQEEZJDYPSJU-GFCCVEGCSA-N 309.329 2.089 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21 9572722 AHJJTSUBKSWSET-UHFFFAOYSA-N 320.345 2.145 0 40 DEAB O=C(COc1ccccc1F)NC[C@H]1COC2(CCCCC2)O1 38827685 GQWWBYZHRSVGTA-ZDUSSCGKSA-N 323.364 2.397 0 40 DEAB Cc1nc(CN2CCN(Cc3cc(F)cc(F)c3)[C@@H](C)C2)no1 2298045073 QYGJYEKNWVKYQK-NSHDSACASA-N 322.359 2.363 0 40 DEAB COC(=O)c1ccsc1NC(=O)[C@H]1COc2ccccc2O1 4275688 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2.121 0 40 DEAB CN(C)[C@@H](CNc1ncnc2c1cnn2C)c1ccsc1 26720487 FYSKDIZIDUGJMZ-LBPRGKRZSA-N 302.407 2.140 0 40 DEAB O=C(NCC[C@@H]1CCCCO1)[C@@H]1CCCN1Cc1ccccn1 97080042 GWZSSQVIHAEKQD-IRXDYDNUSA-N 317.433 2.121 0 40 DEAB C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2nccs2)C[C@@H](C)O1 58135569 HXQPIURKPUEMDP-UPJWGTAASA-N 324.450 2.249 0 40 DEAB CCOc1ccc(S(=O)(=O)N(CC)Cc2cnn(C)c2)cc1 58179708 AAUSXIYLMDPVDQ-UHFFFAOYSA-N 323.418 2.030 0 40 DEAB CC(=O)NC[C@H](C)OC(=O)c1cc(C)nc2cc(F)ccc12 97056310 XSZOWGRFYWWQRX-JTQLQIEISA-N 304.321 2.364 0 40 DEAB CC(C)C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccccc1 44872697 AAVYYGUXFCHJLA-LSDHHAIUSA-N 309.431 2.325 0 40 DEAB CONC(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl 44914938 MZBYGZOEAGMREI-NSHDSACASA-N 317.172 2.276 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccccc2N)cc1 2124152 AJEOLWBSROYIRN-UHFFFAOYSA-N 300.314 2.073 0 40 DEAB CC(C)N(C)C[C@@H]1CO[C@]2(COCCN(Cc3ccco3)C2)C1 107738625 OPFLPMXLWRRBAW-SJLPKXTDSA-N 322.449 2.227 0 40 DEAB CCn1c(NC(=O)CNC(=O)c2ccco2)nc2ccccc21 10651907 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O=C(COC(=O)c1cccnc1)N[C@@H]1CCCc2ccccc21 3254701 RMJNUSALUHCEAC-MRXNPFEDSA-N 310.353 2.432 0 40 DEAB O=c1[nH]c(CSc2ncn[nH]2)nc2sc3c(c12)CCCC3 60872128 BDJRIBVZFULKPN-UHFFFAOYSA-N 319.415 2.274 0 40 DEAB CCOc1ncccc1NC(=O)NC[C@H](c1ccco1)N(C)C 48201101 FICAEZFNZHGBRU-CYBMUJFWSA-N 318.377 2.498 0 40 DEAB C=C1c2ccccc2C(=O)N1CC(=O)NCCCOC(C)C 48326263 LMLMGEZEGLOOKX-UHFFFAOYSA-N 302.374 2.044 0 40 DEAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)NC1(CCO)CCOCC1 97143321 QULRIYFFARCVLU-STQMWFEESA-N 309.431 2.208 0 40 DEAB CN(Cc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 48583500 CDWNPWOAHYKZRB-MRVPVSSYSA-N 324.265 2.130 0 40 DEAB COc1ccccc1C(C)(C)CNC(=O)CCc1cnn(C)c1 62929039 NOPATZMTISQZCH-UHFFFAOYSA-N 315.417 2.455 0 40 DEAB Brc1cccc(Cc2nc([C@H]3COCCN3)no2)c1 96001453 CDXWOLQPRPJDAN-LLVKDONJSA-N 324.178 2.084 0 40 DEAB O=C(CCc1nc(-c2ccsc2)no1)N1CCSCC1 49213444 MVCPXMZXIFLKDO-UHFFFAOYSA-N 309.416 2.306 0 40 DEAB CCc1cc2c(CSc3nncn3C)cc(=O)oc2cc1O 6063530 ITGUXFHSKPDJNE-UHFFFAOYSA-N 317.370 2.482 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2Cn2ccnc2C)cc1 72300191 KAXIXYVMCZAJCF-OAHLLOKOSA-N 319.430 2.353 0 40 DEAB CN(CCOc1ccccc1F)[C@H](C(N)=O)c1ccccc1 14079332 RRJVSASXYXQCAP-INIZCTEOSA-N 302.349 2.363 0 40 DEAB O[C@H](COc1ccccc1)CN1CCC(c2ccn[nH]2)CC1 65541128 SBLJHXCEDOPBCC-HNNXBMFYSA-N 301.390 2.029 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)Cc1coc2cc(C)ccc12 14117440 WOVQTNIYRZIVQX-GFCCVEGCSA-N 302.374 2.315 0 40 DEAB Cc1ccc2c(CCNC(=O)NCc3nc(C)no3)c[nH]c2c1 66193137 HTPLZOIXQOYORF-UHFFFAOYSA-N 313.361 2.210 0 40 DEAB COc1ccc(OCCn2nnc(-c3cccs3)n2)cc1 7330911 XAONAYFQXGURMQ-UHFFFAOYSA-N 302.359 2.489 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1cnn(-c2ccccc2)n1 7399628 NKGIUWRLYDKPTB-UHFFFAOYSA-N 322.324 2.291 0 40 DEAB COc1ccc(F)cc1C(=O)Cn1cnc2sccc2c1=O 7495439 RQBCAVGDBKJOLE-UHFFFAOYSA-N 318.329 2.489 0 40 DEAB CCN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccccn2)n[nH]1 96409184 FCDUHCVLPKTUFH-SNVBAGLBSA-N 305.407 2.216 0 40 DEAB C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1cccs1 7586349 AADFZAAHCSNXNI-NSHDSACASA-N 313.386 2.279 0 40 DEAB Cc1cc(CN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)no1 7835647 FRPWVTGOUDEUHC-OAHLLOKOSA-N 317.370 2.328 0 40 DEAB CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 8062219 OWTDRFSHRLNRNS-UHFFFAOYSA-N 304.371 2.189 0 40 DEAB COC(=O)N1CCC[C@H](NC(=O)Nc2ccc(OC)c(C)c2)C1 71854933 GJCGTVLKXZXPGS-ZDUSSCGKSA-N 321.377 2.356 0 40 DEAB COc1cccc(C(=O)N2CC(n3cccn3)C2)c1OC(F)F 69373479 GQMQEGPIPYQHNE-UHFFFAOYSA-N 323.299 2.190 0 40 DEAB Cc1cc(NC(=O)[C@H](NC[C@H]2CCCO2)c2ccccc2)no1 97495051 IOVFYOGHQZNLPJ-GDBMZVCRSA-N 315.373 2.431 0 40 DEAB O[C@H](CN1CCN(CCOc2ccccc2)CC1)c1ccco1 69625924 AIDSBABZGJHDDB-QGZVFWFLSA-N 316.401 2.010 0 40 DEAB C[C@H](SCC(=O)NCC(=O)N1CCCC1)c1ccccc1F 69769277 FOICKJUUFRNPSF-LBPRGKRZSA-N 324.421 2.359 0 40 DEAB Cc1c(C(=O)O)cnn1-c1cc(-c2nc(C(C)C)no2)ccn1 70451540 RXAGHWDNDDWTBC-UHFFFAOYSA-N 313.317 2.447 0 40 DEAB O=C(COC[C@H]1CCOC1)N1CCc2[nH]c3ccccc3c2C1 69982693 QDBAVERDBAWCJC-ZDUSSCGKSA-N 314.385 2.106 0 40 DEAB O=C1c2cccn2C[C@H]1[C@H](O)c1cc[n+](Cc2ccccc2)cc1 8861938 PYXCABGPCXIUPQ-PKOBYXMFSA-N 319.384 2.370 0 40 DEAB CCn1nnnc1-c1cccc(NC(=O)CCOC(C)C)c1 95399298 DUJPNOJYHPEUJU-UHFFFAOYSA-N 303.366 2.114 0 40 DEAB CCOc1cccc(CN2CCO[C@@H](c3nc(CC)n[nH]3)C2)c1 95430531 NDXMBKDPVRTRBR-OAHLLOKOSA-N 316.405 2.339 0 40 DEAB CSC[C@H](C)N(C)CC(=O)Nc1nnc(C(C)(C)C)s1 95424375 MTHSOMGPSOVUGP-VIFPVBQESA-N 316.496 2.457 0 40 DEAB Cc1ccc(Cn2cccc(NC(=O)[C@H]3CCCO3)c2=O)cc1 95436467 NGWTYVPOVNTMSM-MRXNPFEDSA-N 312.369 2.323 0 40 DEAB COc1ccccc1OCCN(C)C(=O)C1(N)CCCCC1 95971049 AYIKBYDZTYQUEL-UHFFFAOYSA-N 306.406 2.194 0 40 DEAB O=C(CC1(O)CCCCC1)N[C@H]1CCN(C2CCCCC2)C1=O 95968726 LKZCQRFDFQSIIR-HNNXBMFYSA-N 322.449 2.122 0 40 DEAB Cc1cn2c(CN(C)C(=O)CCn3cccn3)c(C)nc2s1 95979845 DPHKLWRRCRCHSO-UHFFFAOYSA-N 317.418 2.258 0 40 DEAB C[C@@H]1CC[C@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1 95979825 HUYLZQRRHONJAB-IAQYHMDHSA-N 303.337 2.195 0 40 DEAB Cc1noc(CCNC(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 86389639 LBTAYIOFGNHNDX-JTQLQIEISA-N 304.350 2.449 0 40 DEAB Cc1cc(C)c(CNC(=O)CCc2c(C)noc2Cl)c(=O)[nH]1 75125785 HGUJIONWZNCIIG-UHFFFAOYSA-N 323.780 2.191 0 40 DEAB CCO[C@H]1CCCN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)C1 75125123 BQBONYLRJWEJEY-LBPRGKRZSA-N 316.357 2.276 0 40 DEAB C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 76010922 IYOMVLRWTLANBA-NXEZZACHSA-N 318.295 2.210 0 40 DEAB Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)n(C)n1 76094790 NQXUSNGRLWMQFG-OAHLLOKOSA-N 316.380 2.471 0 40 DEAB C[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@@H]2c2ccc(O)nn2)O1 530074252 AJXAXCDPZKDLKM-MBNYWOFBSA-N 305.378 2.193 0 40 DEAB Cc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227670 WUFXNXVFGOJCOL-DLBZAZTESA-N 310.353 2.181 0 40 DEAB CC(=O)Nc1nc([C@H]2CCCN(c3cnccn3)C2)cs1 72368915 VWMPHRVSOOEONG-NSHDSACASA-N 303.391 2.276 0 40 DEAB CO[C@@]1(C)C[C@@H](NC(=O)NCCCn2ccnc2C)C1(C)C 73776478 UQKSSMGXKXGBBX-CJNGLKHVSA-N 308.426 2.084 0 40 DEAB Nc1ncnc2c1ncn2-c1ncc(C(F)(F)F)cc1Cl 71789063 YTFUZPCTPXMLFQ-UHFFFAOYSA-N 314.658 2.465 0 40 DEAB CC(C)c1ccc(NC(=O)C(=O)NC[C@@H](O)C(C)(C)C)cc1 79029040 DZUQZAJRDYALEX-CQSZACIVSA-N 306.406 2.272 0 40 DEAB CCn1nc(C)cc1CNS(=O)(=O)c1ccc(Cl)cc1 226746723 VZYMUXHWLYKEKS-UHFFFAOYSA-N 313.810 2.343 0 40 DEAB COc1cccc([C@H](CC(=O)O)NC(=O)c2cscn2)c1 531746960 GSCTWTYFIZHJAV-NSHDSACASA-N 306.343 2.098 0 40 DEAB COc1cccc(N(C)C(=O)c2cnc3sccn3c2=O)c1 223035898 SKEKEOPMVFDDHV-UHFFFAOYSA-N 315.354 2.041 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 63355129 OQDIRUOGMNICSM-LSDHHAIUSA-N 302.353 2.257 0 40 DEAB Cc1cccc2c1OC[C@@H](NC(=O)[C@@H]1CCC(=O)c3cccn31)C2 332858054 UCQKSCWPGLKXJV-HOCLYGCPSA-N 324.380 2.434 0 40 DEAB CS(=O)(=O)N1CCC[C@@H]1CN[C@H]1CCCc2sccc21 90798871 XKTTZNMWQFWGED-YPMHNXCESA-N 314.476 2.139 0 40 DEAB C[C@H](CNC(=O)NC[C@@H]1CCOC1)Oc1cccc(Cl)c1 96439429 DJJWBMJUXGZTMH-NEPJUHHUSA-N 312.797 2.443 0 40 DEAB Cc1cc(-c2nnc3sc(-c4c(C)noc4C)nn23)n(C)n1 95477097 CGZLBPSAXJSJRX-UHFFFAOYSA-N 315.362 2.167 0 40 DEAB CCN(CC)[C@@H](CNC(=O)c1nccn1C)c1ccccc1 96421320 HIVWHTOZMRFXBS-HNNXBMFYSA-N 300.406 2.233 0 40 DEAB CO[C@@H]1CN(C(=O)c2ccc(F)c(F)c2)Cc2cccn2C1 247848943 NXMIXWVKEJBAHG-ZDUSSCGKSA-N 306.312 2.437 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)Cc2ccc(C)s2)n1 257304649 SMMVUPWKXXQZFR-CYBMUJFWSA-N 305.403 2.231 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3ccsc3)CCO2)nc(C)n1 257208756 BNMMHBCRHQWRJV-AWEZNQCLSA-N 303.387 2.369 0 40 DEAB Cc1nc(C(=O)N2CCO[C@@H](Cc3ccc(F)cc3)C2)co1 299850428 FVKXACJOFIJUNK-AWEZNQCLSA-N 304.321 2.206 0 40 DEAB c1cncc(COC[C@@H]2CC[C@@H]3[C@H]2OCCN3CC2CC2)c1 253591477 NWFXXZXNVXZXAQ-KSZLIROESA-N 302.418 2.488 0 40 DEAB Cc1cccc(-c2nccnc2[C@@H]2CCCN(C(=O)CO)C2)c1 257317526 VKCGUTNOOABOIK-OAHLLOKOSA-N 311.385 2.150 0 40 DEAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)C1CCCCC1 96123408 RXXLWLWXFJIYTD-UHFFFAOYSA-N 313.423 2.309 0 40 DEAB O=C(NCCOc1ccccc1)NCC[C@@H](O)c1ccoc1 90613351 QPEDUSWCTAISQY-OAHLLOKOSA-N 304.346 2.081 0 40 DEAB O=C(NCCF)Nc1cn(-c2ccccc2C(F)(F)F)nn1 585140621 HXTSTZVNFHVLGU-UHFFFAOYSA-N 317.246 2.377 0 40 DEAB Cc1nc(C)c2c(C)c(C(=O)NC3=NCCS3)sc2n1 30805696 RJZSWKPFSBWNNH-UHFFFAOYSA-N 306.416 2.449 0 40 DEAB COCCCNC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 50081769 XBDJXRBGJPYYKT-KBPBESRZSA-N 321.421 2.458 0 40 DEAB O=C(CC1CC1)N1CC[C@H](c2ccccc2)S(=O)(=O)CC1 585396502 VIVMWBDRDXJIDL-OAHLLOKOSA-N 307.415 2.175 0 40 DEAB O=C(N[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1)c1ccsc1 11753558 HNCVRPWNVQONLB-AWEZNQCLSA-N 318.373 2.418 0 40 DEAB CCOC(=O)C1=NO[C@H](c2cc(OC)c3c(c2)OCO3)[C@H]1C 12412883 YUFZGCAGOHGAIY-SDBXPKJASA-N 307.302 2.050 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 19681214 ZBBRHIHEFZCFPA-JTQLQIEISA-N 314.407 2.121 0 40 DEAB COC(=O)CN1C(=O)N/C(=C/c2ccc(C(C)(C)C)cc2)C1=O 6357436 WXGJJWLDNGIBDL-UKTHLTGXSA-N 316.357 2.050 0 40 DEAB CCN1C(=O)S/C(=C2\C(=O)N(C(C)=O)c3ccccc32)C1=O 5552357 DXSXKJRGGOZBCW-QXMHVHEDSA-N 316.338 2.006 0 40 DEAB C[C@@](O)(CNC(=O)c1noc2c1CCCC2)Cc1ccsc1 618256999 OJGDANNAMDSGAP-INIZCTEOSA-N 320.414 2.338 0 40 DEAB O=C(O)c1cc(F)c2c(I)[nH]nc2c1 14983822 INBINBFNIPSMTG-UHFFFAOYSA-N 306.034 2.005 0 40 DEAB O=S1(=O)N=C(SCc2cccnc2)Nc2ccccc21 9530219 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NKNPUGCGRVAWRA-UHFFFAOYSA-N 311.341 2.305 0 40 DEAB COc1ccccc1NC(=O)C[C@H]1Nc2ccccc2OC1=O 10325445 KTJNLVGWZDVLCX-CYBMUJFWSA-N 312.325 2.424 0 40 DEAB COc1ncccc1CNC(=O)N[C@H]1CCOc2ccccc21 26384032 HYUHKKBTGNREFQ-AWEZNQCLSA-N 313.357 2.413 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H]1C[C@@H](O)c1ccco1 108106280 XBXFOBLWDFLHNI-NJVJYBDUSA-N 320.389 2.197 0 40 DEAB O=C(CC1CC1)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 107722156 DECDKQVDKOSTNJ-DZKIICNBSA-N 320.364 2.158 0 40 DEAB CC(C)CC[C@]1(C2CC2)NC(=O)N(Cc2cnsn2)C1=O 521395007 OIOJVHCQWXTJGH-CQSZACIVSA-N 308.407 2.175 0 40 DEAB O=C(c1ccc(Br)o1)N1CCN2CCCC[C@@H]2C1 44501075 MVXKHRRQTGPETA-SNVBAGLBSA-N 313.195 2.352 0 40 DEAB C[S@@](=O)c1ccc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1 44755525 OAXMGGDUVRAGPD-QFIPXVFZSA-N 316.338 2.111 0 40 DEAB Cc1cc(C)nc(NC(=O)N2CCC[C@@H]2CN2CCOCC2)c1 97143046 PLIVHPRTCDYNPV-OAHLLOKOSA-N 318.421 2.027 0 40 DEAB O=C(C1CCCCC1)N1CCN(c2cnnc(O)c2Cl)CC1 58232134 GXLRWOIQHFPUPD-UHFFFAOYSA-N 324.812 2.065 0 40 DEAB CC(C)c1cc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)on1 58246108 FLLOSSABWGMZPQ-UHFFFAOYSA-N 317.393 2.339 0 40 DEAB Cc1nc(CCNS(=O)(=O)c2cccc(F)c2F)cs1 58280461 NMDGVJYLSZCTJM-UHFFFAOYSA-N 318.370 2.251 0 40 DEAB Cn1ccnc1COC(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 97162992 XXZJXCZOWNDNLL-UHFFFAOYSA-N 323.356 2.440 0 40 DEAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2ccc(O)nn2)cc1 29385649 MDDQJAVEWNMNNI-KNTRCKAVSA-N 320.352 2.082 0 40 DEAB Cc1ccc(S(=O)(=O)NCCCC(=O)O)c2ccccc12 12291207 KYIBNARUFUPWDS-UHFFFAOYSA-N 307.371 2.291 0 40 DEAB NC(=O)[C@H](SCCCNc1ncccn1)c1ccccc1 68061381 NEBGHUSHMPBUPW-CYBMUJFWSA-N 302.403 2.238 0 40 DEAB Cc1c2c(C(F)F)cc(=O)n(CCC(=O)O)c2nn1C(C)C 12397935 ZXCNVMQRXWJAIF-UHFFFAOYSA-N 313.304 2.500 0 40 DEAB O=C(O)[C@@H]1CCCN(C(=O)c2sccc2-n2cccc2)C1 37436532 YLYDCSFQMOLAJM-LLVKDONJSA-N 304.371 2.476 0 40 DEAB COC(=O)c1ccc(COC(=O)c2c(OC)cccc2OC)o1 3395049 VIAWCPXHOIWUBI-UHFFFAOYSA-N 320.297 2.440 0 40 DEAB CN(Cc1ccsc1)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 48302884 ATIPXCZDQJPGSN-ZDUSSCGKSA-N 318.398 2.348 0 40 DEAB Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(C(=O)O)c1 136897769 AGWXQIYPQLFAFL-UHFFFAOYSA-N 311.385 2.289 0 40 DEAB CCC(CC)N(C)CC(=O)Nc1ccc(C(=O)N(C)C)cc1 72308069 VLEHEFZMWRMSJX-UHFFFAOYSA-N 305.422 2.447 0 40 DEAB C[C@H](CCc1ccccc1F)C(=O)NC1(C(N)=O)CCCC1 72302897 SYGUHJLYHGRVTK-GFCCVEGCSA-N 306.381 2.309 0 40 DEAB CCS(=O)(=O)Nc1ccccc1C(=O)N1CCC[C@H](C)C1 65475224 YVSBEEHELRECER-LBPRGKRZSA-N 310.419 2.320 0 40 DEAB C[C@@H]1CN(CCCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 65426142 LJROJGWOVBHBGP-CYBMUJFWSA-N 316.401 2.172 0 40 DEAB CN1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2Br)CC1 65586413 LPOBDSBUMQVZID-STQMWFEESA-N 323.234 2.327 0 40 DEAB O=C(NC[C@H](Cc1ccccc1)NC(=O)C1CCC1)C1CCC1 65522836 BGNRQVCKOJJVRS-KRWDZBQOSA-N 314.429 2.430 0 40 DEAB CCOC(=O)c1ccoc1Cn1cnc2ccsc2c1=O 14164505 HJGWYQHUPDDCQR-UHFFFAOYSA-N 304.327 2.276 0 40 DEAB C[C@@H]1CN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C[C@@H](C)O1 14139727 AKUHCPXOUMBXEF-JTNHKYCSSA-N 320.414 2.125 0 40 DEAB COc1ccccc1CN(C)C(=O)Cn1nnc2ccccc21 14285139 YYORCIAFWQMLTH-UHFFFAOYSA-N 310.357 2.099 0 40 DEAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 6553582 WPOIGKQVOLURGO-LLVKDONJSA-N 322.368 2.246 0 40 DEAB Cn1cc([C@H](O)CNCc2ccc(F)c(C(F)(F)F)c2)cn1 95440122 HTJJRTMWWBIOLF-CYBMUJFWSA-N 317.286 2.401 0 40 DEAB OC[C@H]1CCCCN1Cc1nc(CCc2ccccc2)no1 96441373 FLZRYHVREYTCPW-OAHLLOKOSA-N 301.390 2.202 0 40 DEAB O=C1NCCN1Cc1ccccc1NCc1noc(C2CC2)n1 97375776 WPFBDGYTTQPYHG-UHFFFAOYSA-N 313.361 2.084 0 40 DEAB C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCc2ccccc2C1 66901340 WMQDJVIQORMTCP-BLLLJJGKSA-N 308.447 2.109 0 40 DEAB O=c1[nH]c(CSC2=N[C@@H]3CCCC[C@@H]3N2)nc2ccsc12 9548187 XKQQVHWELOCCTL-DTORHVGOSA-N 320.443 2.488 0 40 DEAB CC(C)(C)OC(=O)NCCC(=O)NCCc1cccc(F)c1 7125759 MBBKYXSXGNOHIH-UHFFFAOYSA-N 310.369 2.399 0 40 DEAB COCc1nc(C(=O)N2CCC(c3nc(C)no3)CC2)cs1 71830964 BUDJJKGSQALJQE-UHFFFAOYSA-N 322.390 2.001 0 40 DEAB Cc1noc(C)c1CCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 15568646 ZYNZBVZKFZLPJE-UHFFFAOYSA-N 300.318 2.032 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1ccc(Cl)cc1 71823418 DHYYKMUMTNOZTR-CSCBSUNKSA-N 306.793 2.466 0 40 DEAB O/C(=N\CCNc1cnc2ccccc2n1)c1ncccc1O 71893778 XXYUVHUACGVBNA-UHFFFAOYSA-N 309.329 2.147 0 40 DEAB NC(=O)CN(C(=O)c1cc(-c2ccccc2)no1)C1CCCC1 71821146 PQRSRIXUIAEYHJ-UHFFFAOYSA-N 313.357 2.212 0 40 DEAB CC(C)[C@H](C)NC(=O)CCCN1C(=O)c2ccccc2C1=O 7804183 ZGBAKFFFLPYTGV-LBPRGKRZSA-N 302.374 2.224 0 40 DEAB CCc1nnc(CN2c3cccc4cccc(c34)S2(=O)=O)o1 71910328 OVTASXQWAOSYCW-UHFFFAOYSA-N 315.354 2.494 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N(C)CCOc2ccccc2F)no1 16423011 BFEUGNZSVNFDAT-LBPRGKRZSA-N 321.352 2.460 0 40 DEAB Cc1csc(N(C)C(=O)c2cnc3c(C)cccn3c2=O)n1 91050378 URNJKNCCPVAQQW-UHFFFAOYSA-N 314.370 2.044 0 40 DEAB C[C@H]1C[C@H]1C(=O)OCC(=O)NCCc1c[nH]c2ccccc12 8100210 MXJZHRIYRLOXCQ-SMDDNHRTSA-N 300.358 2.026 0 40 DEAB CN(C)C(=O)CCCCN1CCN(Cc2ccccc2)CC1 69324653 XKRSECHIFFGZOI-UHFFFAOYSA-N 303.450 2.063 0 40 DEAB CCn1nc(C)c(CN(C)C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1C 8339608 YULZLUPPXFZKSZ-KBPBESRZSA-N 319.405 2.145 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccnn1C1CCCC1 8394690 UNPNDQRSEJCWLB-LLVKDONJSA-N 316.361 2.348 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN2Cc2cn3ccccc3n2)n1 69491612 QFKSMOWHCLSSDL-INIZCTEOSA-N 310.405 2.207 0 40 DEAB CCN(CC(=O)NC(C)(C)C)C(=O)NCCc1ccccc1 17115704 VXHUDUSEKSSZNT-UHFFFAOYSA-N 305.422 2.175 0 40 DEAB Cc1ccc(OCCCC(=O)N2CCn3c(C)nnc3C2)cc1 69534779 YZRFPCDXKLLJBT-UHFFFAOYSA-N 314.389 2.096 0 40 DEAB Cc1cc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)sc1C 22239222 HVTGKICPKKRHBV-UHFFFAOYSA-N 318.446 2.056 0 40 DEAB NC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCCc3ccccc32)C1 69520608 ROWARTGGLSLVOU-GDBMZVCRSA-N 315.417 2.361 0 40 DEAB CCCN1CCCN(C(=O)c2ccc(N(CC)CC)nc2)CC1 69737167 NCOJLGDBYWNNJX-UHFFFAOYSA-N 318.465 2.486 0 40 DEAB COc1ccc([C@@H](O)CNC(=O)C[C@@H](C)n2cccc2)cc1 95350913 JCXRIMLONJLCBQ-CJNGLKHVSA-N 302.374 2.298 0 40 DEAB COCCCN(C)C(=O)c1nnn(-c2ccccc2Cl)c1C 69817430 AAFWEXXBPIRPPX-UHFFFAOYSA-N 322.796 2.338 0 40 DEAB C[C@]1(CNC(=O)N[C@@H](CO)Cc2ccccc2)CCCS1 95412604 MSZFGAAFGRJIEA-GDBMZVCRSA-N 308.447 2.175 0 40 DEAB CCn1c(C)cc(C(=O)N2CCOC[C@H]2c2nc(C)no2)c1C 97098083 MTFWYUZXVNFNGL-AWEZNQCLSA-N 318.377 2.030 0 40 DEAB O=C(N[C@@H]1CCCN(c2cccc(F)c2)C1)c1csnn1 72286513 NELBWIJHDVMSJJ-LLVKDONJSA-N 306.366 2.076 0 40 DEAB CCc1ncc2c(n1)CN(Cc1nc(-c3cccnc3)no1)CC2 72268836 AVBSEHWDUJNCQH-UHFFFAOYSA-N 322.372 2.042 0 40 DEAB CCc1noc(CCCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 72282979 BIGAWCVGHXIPMP-GFCCVEGCSA-N 317.393 2.084 0 40 DEAB O=C(NC[C@@H]1C[C@]12CCc1ccccc12)N[C@@H](CCO)C1CC1 88618973 JVXAACCTBPBAIS-VDZJLULYSA-N 314.429 2.351 0 40 DEAB Cc1ccc(NC(=O)Cc2noc(C[C@H](O)C(C)C)n2)cc1 95943490 QZQHDZPSBQZLAU-ZDUSSCGKSA-N 303.362 2.119 0 40 DEAB CS[C@@H]1CC[C@@H](NC(=O)N[C@H](CO)Cc2ccccc2)C1 74812428 PCQSYEPXDYQQOI-QLFBSQMISA-N 308.447 2.173 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)NCc2cc3ccccc3[nH]2)C1 89919444 ASPOVTVNYLJNEK-KRWDZBQOSA-N 315.373 2.263 0 40 DEAB CN(Cc1ncnn1C)C(=O)Nc1ccc(OC(F)F)cc1 76092524 LINFVVWBJRABCZ-UHFFFAOYSA-N 311.292 2.080 0 40 DEAB COCCCCNC(=O)CN1CCOc2ccc(Cl)cc21 76060871 XHOBYUHAOQRNLH-UHFFFAOYSA-N 312.797 2.082 0 40 DEAB CC(C)C(=O)N1CC[C@@]2(C1)OCc1cnc(-c3ccoc3)nc12 306138158 RRHMUHLLAXDCMU-KRWDZBQOSA-N 313.357 2.350 0 40 DEAB O=C(O)COC1CCC(NC(=O)OCc2ccccc2)CC1 79390226 WEHUZERBBLYWQB-UHFFFAOYSA-N 307.346 2.325 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1ccc3c(c1)CCC3)C2 65474238 SZPUQKUEMNWMTA-KRWDZBQOSA-N 309.413 2.354 0 40 DEAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 79320751 TVFIBRVTSQYLEM-PMPSAXMXSA-N 300.402 2.450 0 40 DEAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccc(Cn2cccn2)cc1 72243164 IDVBGUFVKBGJCE-INIZCTEOSA-N 315.417 2.458 0 40 DEAB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(F)c3)[C@H]2N)cc1 218571550 NLISCQDDKOTVIM-ARFHVFGLSA-N 305.374 2.401 0 40 DEAB Cc1nc(C(C)(C)NCC(=O)NCc2ccco2)sc1C 72866622 JLTFSAGOTFTRLR-UHFFFAOYSA-N 307.419 2.494 0 40 DEAB CCCn1nc(-c2nc(COc3ccccc3)no2)ccc1=O 78773718 CMYJPBUCJRTFLC-UHFFFAOYSA-N 312.329 2.282 0 40 DEAB O=C([C@@H]1CCCC[C@H]1C(=O)N1CCCSCC1)N1CCCC1 78998936 DMTKTDZDHWAWAO-HUUCEWRRSA-N 324.490 2.381 0 40 DEAB C[C@@](O)(CNC(=O)NCCc1cccnc1)C1CCCCC1 190833417 FVIXTYHQVIZHKF-QGZVFWFLSA-N 305.422 2.255 0 40 DEAB C[C@@](O)(CNC(=O)c1cccs1)c1ccc2c(c1)OCO2 75155416 QVYJZWZQLJJANJ-OAHLLOKOSA-N 305.355 2.114 0 40 DEAB Cc1n[nH]c(C)c1NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O 574020234 GBESCGBOFKJJJG-AWEZNQCLSA-N 312.373 2.408 0 40 DEAB O=C(NCc1ccnc(-c2ccco2)c1)NC1CCOCC1 225658059 XDGXAPZWPUDRSA-UHFFFAOYSA-N 301.346 2.320 0 40 DEAB COc1cc2nc(NCc3ccco3)nc(N)c2cc1OC 40829153 ZXXCCDNVDNKADA-UHFFFAOYSA-N 300.318 2.434 0 40 DEAB Cn1cc([C@@](C)(O)CN[C@H](c2ccccc2)c2ccccn2)cn1 195553610 ZPNXABFKWVOQJZ-MOPGFXCFSA-N 322.412 2.402 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(C)c(C)c2)c1=O 225966971 FBVNJWMOEIPAES-UHFFFAOYSA-N 314.341 2.229 0 40 DEAB CO[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2ncn(C)n2)c1 195567045 PCSOEWUWSVLHAZ-UONOGXRCSA-N 315.377 2.171 0 40 DEAB COc1c(C)cnc(CNC(=O)c2cc(C(C)C)n(C)n2)c1C 81935828 OXQNMOAAUKLMKL-UHFFFAOYSA-N 316.405 2.494 0 40 DEAB O=C(CCN1CCCC1=O)NC1(c2cccc(Cl)c2)CC1 96419227 LPTFKEXZLSLGQP-UHFFFAOYSA-N 306.793 2.458 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC[C@H]3C(C(=O)O)=NO[C@H]32)CC1 91302910 IGFBJJHCHYRZKG-CMPLNLGQSA-N 324.377 2.253 0 40 DEAB Cn1ccnc1CN1CCc2ncnc(-c3ccccc3)c2CC1 96255355 SEADPNMHBKRMLL-UHFFFAOYSA-N 319.412 2.478 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC(CO)CC1 96503327 XPGGRMWJFDJWAY-LBPRGKRZSA-N 322.453 2.421 0 40 DEAB COC(=O)CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 96404696 MEQKCWJJVVGFPK-NXEZZACHSA-N 302.157 2.386 0 40 DEAB Cc1ccc(CN2Cc3nccn3C[C@@H](CN(C)C)C2)s1 96059176 RYRYPLFPCIKFSF-AWEZNQCLSA-N 304.463 2.447 0 40 DEAB CC(C)C(=O)N[C@@H]1COC2(CCN(Cc3nccs3)CC2)C1 96220615 CFJXFVMFKQVCBE-ZDUSSCGKSA-N 323.462 2.039 0 40 DEAB O=C(c1cscn1)N1C[C@H]2CN(Cc3ccccc3F)[C@H]2C1 96244912 PIBSHVHNHUARQF-DOMZBBRYSA-N 317.389 2.239 0 40 DEAB CCCS(=O)(=O)CC(=O)N(CC(C)(C)C)c1cccnc1 96412526 VFXVRJMNEGOCRL-UHFFFAOYSA-N 312.435 2.286 0 40 DEAB CCS(=O)(=O)Nc1ccc([C@H](C)Nc2cnn(C)c2)cc1 97378988 WDSUJAVNIDPMSE-NSHDSACASA-N 308.407 2.355 0 40 DEAB COC[C@H]1CN(Cc2ccccn2)Cc2nn(CC3CC3)cc21 96060459 OTXWYDMHKYXNJB-OAHLLOKOSA-N 312.417 2.434 0 40 DEAB Cc1cccc2c1nc1n2[C@@H](CNC(=O)c2ccncc2)COC1 96112598 QNNOHKJVFMTUSC-AWEZNQCLSA-N 322.368 2.241 0 40 DEAB biogenic,in-vitro CNc1nccnc1C[C@@H]1CCCN(Cc2nccs2)C1 257329439 XJZQYLPKZPFSMT-LBPRGKRZSA-N 303.435 2.430 0 40 DEAB O=C(c1cncs1)N1CCC(c2ccc3cn[nH]c3n2)CC1 257303289 SGPKSXMNIFVMTE-UHFFFAOYSA-N 313.386 2.434 0 40 DEAB CC(=O)c1c(C)cc(C)c(CN2CCN(C(C)=O)CC2)c1C 26464815 DVLPNFDHTKVTFL-UHFFFAOYSA-N 302.418 2.479 0 40 DEAB CC(=O)N1CCC(Cc2cnc(-c3c(C)n[nH]c3C)cn2)CC1 257203874 ASACAFXPYVEJPY-UHFFFAOYSA-N 313.405 2.285 0 40 DEAB CNc1nccnc1[C@H]1CN(C(=O)/C=C/c2ccccc2)CCO1 257337565 YTIJEXIVHHKEET-MVGZEHJDSA-N 324.384 2.132 0 40 DEAB COCCC(=O)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257224457 FBXJPFUKXQTOOH-OAHLLOKOSA-N 316.401 2.222 0 40 DEAB O=C(O)[C@H]1c2ccccc2CCN1C(=O)CCc1cscn1 262526977 NTYWDHIQPHBXTL-OAHLLOKOSA-N 316.382 2.286 0 40 DEAB CC(C)(C(=O)N1CCC[C@@H]1Cn1cccn1)n1cc(Cl)cn1 70039403 KPZWSUUKBSEMLS-CYBMUJFWSA-N 321.812 2.159 0 40 DEAB CCCNC(=O)CN(C)Cc1cc(Cl)c2c(c1)OCCO2 44871173 VFIOMPOIHDOOGI-UHFFFAOYSA-N 312.797 2.069 0 40 DEAB O=C(COc1ccc(Cl)cc1)NC[C@H]1CCN(C2CC2)C1 73842735 ABSWGEIBKGMTLR-GFCCVEGCSA-N 308.809 2.319 0 40 DEAB COC[C@@H](O)CN(C)C(=O)Nc1cccc(OC(F)(F)F)c1 75572768 UXGZWHPVRQJLPR-JTQLQIEISA-N 322.283 2.056 0 40 DEAB C[C@@H]1C[C@H](c2cccc(F)c2)N(CCC(=O)N2CCOCC2)C1 78947667 WOJJQFZLHPCXRE-RHSMWYFYSA-N 320.408 2.458 0 40 DEAB CCc1cc(NC(=O)NCc2c(CC)noc2CC)n(C)n1 88389290 WOEMCODTQPREPK-UHFFFAOYSA-N 305.382 2.417 0 40 DEAB CC(=O)N(CCc1nc(-c2cc(C(N)=O)co2)cs1)C(C)C 95439150 YTZNJRXHJAZVRQ-UHFFFAOYSA-N 321.402 2.301 0 40 DEAB C[C@H]1C[C@H](C)CN(C[C@H](O)COCc2ccc3c(c2)OCO3)C1 5050540 MYTGYLYFMWBPSL-DZKIICNBSA-N 321.417 2.271 0 40 DEAB COC(=O)[C@H]1C(=O)OC(C)(C)[C@H]1[C@H](C)C(=O)c1ccccc1 12383220 GKFCOOTYWRPLRI-DRZSPHRISA-N 304.342 2.246 0 40 DEAB Cc1occc1-c1nn(C2CCN(C(=O)C(C)C)CC2)c(=O)o1 12740012 XKYGQKYUSPMKSM-UHFFFAOYSA-N 319.361 2.224 0 40 DEAB COC(=O)c1sccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 13321328 GPPOSTGGXNZMDD-MKHNBGRSSA-N 323.370 2.220 0 40 DEAB CCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 13441889 SVCLSFSGRLVAQK-HNNXBMFYSA-N 324.446 2.146 0 40 DEAB S=C(NCCCn1ccnc1)Nc1ccc2c(c1)OCCO2 13679608 GLUGXCUFUWKAJR-UHFFFAOYSA-N 318.402 2.031 0 40 DEAB Cc1nn(CC(=O)Nc2ccccc2)c(=S)n1-n1cccc1 16777128 FJDDCJYWAKOQMK-UHFFFAOYSA-N 313.386 2.474 0 40 DEAB CCN1CCN(S(=O)(=O)c2cc(C)c(C)cc2Cl)CC1 16780778 BRHOJJYXBBPLRK-UHFFFAOYSA-N 316.854 2.283 0 40 DEAB CCOc1ncc(NC(=O)c2ccccc2OC)c(N(C)C)n1 206730020 SKXKKPXMTIDRMY-UHFFFAOYSA-N 316.361 2.202 0 40 DEAB CNCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 202703904 ZUOCVIUMOFFLTL-UHFFFAOYSA-N 323.440 2.140 0 40 DEAB Cc1ccccc1NC(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O 36394423 UJBYYEQHCLJSNR-GXSJLCMTSA-N 300.280 2.391 0 40 DEAB COc1ccccc1CC(=O)N1CC(OCC(F)(F)F)C1 390829623 FMJCPBZEYLAIQS-UHFFFAOYSA-N 303.280 2.027 0 40 DEAB Cc1ccc(N2CCN(Cc3cc(F)cc(F)c3)CC2)nn1 1849123003 CNQMCRGDMFUEPJ-UHFFFAOYSA-N 304.344 2.385 0 40 DEAB FC(F)(F)c1ccnc(OC2CCN([C@H]3CCOC3)CC2)n1 1888834083 CAAATZGSCQJBKU-JTQLQIEISA-N 317.311 2.128 0 40 DEAB COc1ccc(Cl)cc1C(=O)NC1CN(c2ccccn2)C1 1888863656 LTPNSPACAKAMIL-UHFFFAOYSA-N 317.776 2.362 0 40 DEAB CN(Cc1ccc(Cl)cc1)c1ccc(S(N)(=O)=O)cn1 23990194 UUNWTVIUGFHLNA-UHFFFAOYSA-N 311.794 2.019 0 40 DEAB COC(=O)N1CCC(Nc2nnc(C(F)(F)F)s2)CC1 153916578 CCGCZGHQSLVONG-UHFFFAOYSA-N 310.301 2.200 0 40 DEAB O=C1CO[C@H]2CN(C3CCCC3)C[C@@H]2N1Cc1ccccc1 2037838722 YEBWBVOVRNDUNQ-IRXDYDNUSA-N 300.402 2.041 0 40 DEAB COc1ccc(-n2ncc3c(=O)n(CC4CCC4)cnc32)cc1 2087018036 KXGPHHNOWSOWAN-UHFFFAOYSA-N 310.357 2.391 0 40 DEAB O=c1ccncn1CC1CCN(Cc2cc(F)ccc2F)CC1 585637078 DJACJBHEMJPNBU-UHFFFAOYSA-N 319.355 2.434 0 40 DEAB c1ccc2nc(N3CC(c4nnc5ccccn45)C3)cnc2c1 2298235444 RARYMNAGICYMSR-UHFFFAOYSA-N 302.341 2.276 0 40 DEAB O=S(=O)(NCCOc1ccc(F)cc1)c1ccc(F)cc1 3073519 QDYFWMAHFHYHDY-UHFFFAOYSA-N 313.325 2.322 0 40 DEAB CC[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1cc(C)on1 13572759 WIKVYLXDXTVWMG-QMMMGPOBSA-N 318.362 2.159 0 40 DEAB O=C1C[C@H]2c3ccccc3[C@H]1[C@H]1C(=O)N(c3ccccn3)C(=O)[C@H]21 100038902 LLBBWARKCUMGMJ-WBQNTZJQSA-N 318.332 2.041 0 40 DEAB COCc1ccccc1CNC(=O)c1csc(NC(C)=O)n1 30846006 OVBYLHKYAMIXSE-UHFFFAOYSA-N 319.386 2.178 0 40 DEAB CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccncc1 40462755 FKCZPCYCVLKMSW-QGZVFWFLSA-N 322.368 2.249 0 40 DEAB Cc1ccc(C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cn1 21064899 UFNQYNWXWFUFNZ-ZIAGYGMSSA-N 305.422 2.008 0 40 DEAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nn1cnnc1 483686 RXDKJQNXBDHXMM-SSDOTTSWSA-N 301.133 2.123 0 40 DEAB Cn1ccc(NC(=O)COCc2nc3ccccc3s2)n1 22475715 RLEMDNISXAWHOJ-UHFFFAOYSA-N 302.359 2.185 0 40 DEAB CCNC(=O)c1ccc2c(c1)nc1n2CCN(Cc2ccco2)C1 23411491 KDZNWFDVFFSYMN-UHFFFAOYSA-N 324.384 2.395 0 40 DEAB O=C(NCCCOC[C@H]1CCOC1)N1Cc2ccccc2C1 77598548 QOURUDDUDHKIBI-CQSZACIVSA-N 304.390 2.155 0 40 DEAB C[C@@H]1CCN(C(=O)c2ccc(=O)n(C)n2)c2ccccc2S1 24584877 DFUCBTVAGOWWLB-LLVKDONJSA-N 315.398 2.311 0 40 DEAB CCCn1nnnc1SCC(=O)Nc1cc(C)ccc1OC 1357465 QEXMFXOYBJPTEX-UHFFFAOYSA-N 321.406 2.131 0 40 DEAB CCOC(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccccn1 1441622 DMHWROJHDQJCCZ-AWEZNQCLSA-N 312.329 2.309 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCCCCC2)cc1 6205045 RBCHAWQSXPRGAQ-CQSZACIVSA-N 324.446 2.064 0 40 DEAB C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)N1CCCCC1 55933613 PYAHVHZSHHAZBM-CQSZACIVSA-N 314.433 2.486 0 40 DEAB O=C(C[C@@H]1CCCO1)Nc1ccc(CCN2CCOCC2)cc1 56040178 QEJQTCOOKNQAPW-KRWDZBQOSA-N 318.417 2.069 0 40 DEAB CCOC(=O)c1cnc(N(C)[C@H]2CCN(CC)C[C@@H]2C)nc1C 108380712 SWUSPDHTYUCBGW-WFASDCNBSA-N 320.437 2.128 0 40 DEAB COCc1ccccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 44548943 KLJPJGMDRIIEOQ-BBRMVZONSA-N 320.414 2.226 0 40 DEAB Cc1c(OCC(=O)Nc2cccc(Cl)c2)c(=O)ccn1C 44903478 HSKLPRYLMAMCSW-UHFFFAOYSA-N 306.749 2.365 0 40 DEAB O=C(OC1CCN(CC(F)(F)F)CC1)[C@@H]1C[C@H]2CC[C@H]1O2 102699906 PFFVBIUISJYOIZ-IJLUTSLNSA-N 307.312 2.124 0 40 DEAB COc1ccc([C@H](CC(=O)NCCC(C)C)NC(C)=O)cc1 11328141 SOFDDNJCHAYJPQ-INIZCTEOSA-N 306.406 2.425 0 40 DEAB CCC(C)(C)[C@H]1CCCN1C(=O)C[C@@H]1CCS(=O)(=O)C1 95972790 FQJSYGZHTCGNBU-QWHCGFSZSA-N 301.452 2.238 0 40 DEAB CCN1C(=O)C(=C2C=C(C)OC(C)=C2)C(=O)N(CC)C1=S 3251795 IRKIKHUVAJOORD-UHFFFAOYSA-N 306.387 2.116 0 40 DEAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCCC1 46082878 LQHOLKLOZULOET-UHFFFAOYSA-N 321.852 2.475 0 40 DEAB CN(C)CCSc1nnc([C@@H]2COc3ccccc3O2)o1 60479090 PERJUOZNCSDTKI-LBPRGKRZSA-N 307.375 2.236 0 40 DEAB CCN(CC)CCC[C@@H](C)NC(=O)CCCNc1ncccn1 60452712 IOQHCYLPWDTBIK-OAHLLOKOSA-N 321.469 2.295 0 40 DEAB CONC(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1 46562952 LBBKPYNSLLIJNC-UHFFFAOYSA-N 300.343 2.287 0 40 DEAB COc1ccc(C(=O)OC2C[C@H]3CC[C@H](C2)N3C=O)cc1OC 103630556 KKWQKDSIGOIGIK-CHWSQXEVSA-N 319.357 2.012 0 40 DEAB Cc1ccc(-c2cc(C(=O)NCCNc3ncccn3)[nH]n2)cc1 47104350 AROGGRXRXBBDNH-UHFFFAOYSA-N 322.372 2.017 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N[C@@H](C)[C@@H]1CCCO1 47275009 BUVMYRYXDINNQW-HZMBPMFUSA-N 300.358 2.343 0 40 DEAB CC1CCN(C(=O)COC(=O)c2ccc(N(C)C)cc2)CC1 3253658 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309.413 2.192 0 40 DEAB Cc1nc(-c2ccsc2)sc1C(=O)NCC(=O)NC(C)C 7116367 MFKDWZAPKMQFOI-UHFFFAOYSA-N 323.443 2.434 0 40 DEAB O=C(NCCCOCC1CCOCC1)N1C[C@H]2CC=CC[C@@H]2C1 96440732 MUKSQMSRLYRSCK-IAGOWNOFSA-N 322.449 2.427 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)c(O)c1 7396308 CPSGZWRNYOZAJT-UHFFFAOYSA-N 319.288 2.335 0 40 DEAB CC(C)OCCN1CCC(NC(=O)N2CCCCCC2)CC1 96447396 HMHAGYJANVFPOY-UHFFFAOYSA-N 311.470 2.461 0 40 DEAB CC(=O)Nc1ccccc1O[C@H](C)C(=O)NCc1ccco1 7987515 AQPDGTDVPOGNTC-LLVKDONJSA-N 302.330 2.322 0 40 DEAB O=C(COC[C@H]1CCCO1)N1CC[C@@H](c2cccc(F)c2)C1 71856942 NRGGAYVVAIRUAG-GDBMZVCRSA-N 307.365 2.337 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)c2cnn(CCN3CCCCC3)c2)C1 70038185 YTPHFKUXXCPBDE-IYBDPMFKSA-N 318.465 2.487 0 40 DEAB COC(=O)[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F 69351765 XUQJMYRRAZIINM-DTWKUNHWSA-N 319.279 2.150 0 40 DEAB COc1cc(OC)c(NC(=O)N[C@H](C)[C@H](C)CO)cc1Cl 71921083 JPRKNGVAYGXRTN-RKDXNWHRSA-N 316.785 2.496 0 40 DEAB COc1ccccc1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1 69528067 VLANWIDZWXCXNO-CQSZACIVSA-N 318.417 2.320 0 40 DEAB Cc1cn2nc(N(C)C[C@@H](O)c3ccc(F)cc3)sc2n1 69568089 AZUJHJCAOFWSRS-GFCCVEGCSA-N 306.366 2.408 0 40 DEAB Fc1cccc(-n2ccc(CN3CCc4cncnc4C3)n2)c1 69565969 KKTMMMZTPMOYSI-UHFFFAOYSA-N 309.348 2.360 0 40 DEAB O=C(OCc1ccccc1)N1CCN(C(=O)C2CCC2)CC1 69977525 ADTNMQLCQMZZMW-UHFFFAOYSA-N 302.374 2.268 0 40 DEAB COC(=O)[C@H](C)c1c(C)nn(Cc2noc(C(C)C)n2)c1C 95431592 FAQZGFMESBHWHM-SECBINFHSA-N 306.366 2.331 0 40 DEAB COC(=O)[C@]12CCC[C@@H]1CN(Cc1ccccc1NC(C)=O)C2 97084941 XRQHUJURCNKUSC-QAPCUYQASA-N 316.401 2.420 0 40 DEAB O=C(O)CC[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 97045082 SYQGCXAMFBZOHB-ZDUSSCGKSA-N 315.373 2.140 0 40 DEAB Cc1ccc([C@H](C)NC(=O)NCC(=O)NCC2CC2)cc1F 97048295 NIZAXJSWWYYDNA-NSHDSACASA-N 307.369 2.021 0 40 DEAB O[C@@H](c1ccccc1)C1CCN(c2nccn3cnnc23)CC1 72289802 IYOVKFBSWNUNCF-HNNXBMFYSA-N 309.373 2.074 0 40 DEAB Cc1n[nH]cc1CNC[C@H](c1ccc(F)cc1)N1CCOCC1 97159346 ALMXGBZJSAYDCR-QGZVFWFLSA-N 318.396 2.020 0 40 DEAB CCCc1nnc(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)s1 97112861 CAJWRARHRNMEOI-SECBINFHSA-N 321.410 2.368 0 40 DEAB COc1c(CNC(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)c(C)nn1C 97141765 NJVZBNKJSRKTSX-COPLHBTASA-N 308.426 2.361 0 40 DEAB O=C(C[C@H]1COCCN1Cc1nc(C2CC2)no1)c1ccco1 97103323 SMUHGJXKHRDJRP-LBPRGKRZSA-N 317.345 2.014 0 40 DEAB CCC(CC)(CC)NC(=O)c1cc(C)c2c(=O)[nH]c(O)nc2n1 73985749 IVSZAGKXYSESQZ-UHFFFAOYSA-N 318.377 2.031 0 40 DEAB CC(C)n1cnc2cc(C(=O)N3CCC[C@@H](CN)C3)ccc21 95971555 XAMKISKULFLEPB-ZDUSSCGKSA-N 300.406 2.428 0 40 DEAB C[C@@H](Nc1cnn(CCN(C)C)c1)c1ccc2c(c1)OCO2 95991182 AERQYQFZLHIGCA-GFCCVEGCSA-N 302.378 2.347 0 40 DEAB O=C(NC[C@H]1CCC[C@@H]1O)c1ccccc1OC(F)(F)F 95985917 XZPCINSOLLAXOQ-KOLCDFICSA-N 303.280 2.476 0 40 DEAB O=C(c1cscn1)N1CC(n2cc(-c3ccccc3)nn2)C1 95997953 NCSDULNHOGLSMB-UHFFFAOYSA-N 311.370 2.099 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cccc3c2NC(=O)CO3)s1 74787429 MZYZAZVDRIYDDP-UHFFFAOYSA-N 324.383 2.188 0 40 DEAB CN(C(=O)C1(NC(=O)NCc2ccccc2)CCCC1)C1CC1 89334625 IMSNPJSDGXHJPV-UHFFFAOYSA-N 315.417 2.419 0 40 DEAB Cc1cc(C)c(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)C(C)C)[nH]1 89568593 QOPBCTVBBNDWPV-QWHCGFSZSA-N 323.462 2.307 0 40 DEAB COCc1nc(CNC[C@@H]2CCCn3cc(C)nc32)cs1 89702154 VUYJEZCGOHLDEB-LBPRGKRZSA-N 306.435 2.462 0 40 DEAB COCCCn1ccc(NCc2ccc(NC(C)=O)cc2)n1 89980262 XOHVXLZMQXNBOP-UHFFFAOYSA-N 302.378 2.490 0 40 DEAB C[C@](O)(CNC(=O)[C@@H]1Cc2ccccc2O1)c1ccsc1 76085078 MIXDXXCRRAMEEM-HOCLYGCPSA-N 303.383 2.076 0 40 DEAB COCCOc1ccc(C(=O)Nc2ccc3[nH]nnc3c2)cc1 175825310 OQNCJBCSJRDURM-UHFFFAOYSA-N 312.329 2.235 0 40 DEAB COc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2N)cc1 35178500 RDUWRBWDJBGLCL-HNNXBMFYSA-N 314.341 2.223 0 40 DEAB CCC1(CC)CN(C(=O)NC[C@@]23CNC[C@]2(C(F)(F)F)C3)C1 1551561206 OVOKXGKNPMQCER-ZIAGYGMSSA-N 319.371 2.360 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2cccc3cccnc23)c[nH]1 524735535 ICZNVUWSRYODQS-UHFFFAOYSA-N 309.325 2.249 0 40 DEAB COc1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1O 408902537 JHOCAOZSHSYSTR-NTEUORMPSA-N 324.361 2.171 0 40 DEAB Cc1nc([C@@H]2CCCN(CCc3ccccc3)C2)ncc1C(N)=O 72351990 VWRZMUGFDUKOOL-MRXNPFEDSA-N 324.428 2.306 0 40 DEAB CCN(CC)C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccc(OC)cc1 72242009 IWIBTODXKIXXSG-RDJZCZTQSA-N 318.417 2.473 0 40 DEAB CC[C@H](Cc1ccc(C)cc1)NC(=O)N1CCO[C@@H](COC)C1 75804215 YGAKQQOTLKIGFB-IAGOWNOFSA-N 320.433 2.373 0 40 DEAB COC(=O)c1scc(C)c1NC(=O)Cn1nc(C)cc1C 128626435 KIRWGEFUTSPMGB-UHFFFAOYSA-N 307.375 2.295 0 40 DEAB CCN(C(=O)OCc1ccccc1)[C@@H]1CCCN(CC(=O)O)C1 79413762 HUEJNERPMBKBAP-OAHLLOKOSA-N 320.389 2.194 0 40 DEAB CC(C)[C@H](N)C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 79394292 NMPUBZIIOZLDBX-IRXDYDNUSA-N 303.450 2.093 0 40 DEAB O=C(O)c1cn([C@H]2CCCN(C(=O)CC3=CCCCC3)C2)nn1 563202000 QAZWUNZKFZXZIF-ZDUSSCGKSA-N 318.377 2.030 0 40 DEAB CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCN(CCN)C1 79411641 RHNSUHOFTXNWHO-MRXNPFEDSA-N 305.422 2.067 0 40 DEAB COc1cc(OC)cc(C2=NN[C@H]3CC(C)(C)CC(=O)[C@@H]23)c1 228925168 XZHHKRWPCGWWFE-ZFWWWQNUSA-N 302.374 2.385 0 40 DEAB CCO[C@@H](C)c1nccn1[C@@H]1CCN(CC(F)(F)F)C1=O 195564499 HJNXHQKKZQSFRB-VHSXEESVSA-N 305.300 2.316 0 40 DEAB Cc1cc(C)n(CCNC(=O)/C=C/c2ccc3c(c2)OCO3)n1 44158903 HNMAEAALWITYPT-GQCTYLIASA-N 313.357 2.058 0 40 DEAB O=C(c1ccn(-c2ccccc2)n1)N1CCOc2ccncc21 96456032 AVLGDCYSWAWVDR-UHFFFAOYSA-N 306.325 2.307 0 40 DEAB O=C(Nc1cccc(N2CCCCCC2)c1)[C@@H]1COCCO1 96419129 KTRNYVYZXFIALW-INIZCTEOSA-N 304.390 2.421 0 40 DEAB Cc1noc(C)c1CN1CCC[C@]2(CCN([C@@H]3CCOC3)C2)C1 96216074 GSXODXBUVBCPIB-AEFFLSMTSA-N 319.449 2.368 0 40 DEAB CCOC[C@H]1CN(C(=O)c2ccsc2)Cc2nn(C)cc21 96060399 SEMGRSYSOPQMTD-GFCCVEGCSA-N 305.403 2.258 0 40 DEAB c1ccc(O[C@@H]2CN(Cc3nccs3)[C@@H]3CCCO[C@H]23)nc1 96042582 KVNGBULLWZARIV-IOASZLSFSA-N 317.414 2.349 0 40 DEAB COCCN1CC[C@]2(CN(Cc3ccccc3)C[C@H]2C)C1=O 96201654 GUSDRAAMRQWOGB-CRAIPNDOSA-N 302.418 2.003 0 40 DEAB CC(C)n1ccc2c(C(=O)N[C@H]3CCS(=O)(=O)C3)cccc21 95478929 BCRNPVSYFPKTKE-LBPRGKRZSA-N 320.414 2.139 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H]3C[C@@H](c4noc(C)n4)O[C@@H]3C2)o1 96070712 TVUXUWKEZAACRE-FPMFFAJLSA-N 317.345 2.272 0 40 DEAB CC(C)CS(=O)(=O)C1CN(C(=O)c2cc3ccccc3[nH]2)C1 96380061 VCDAEGUUVGJLBV-UHFFFAOYSA-N 320.414 2.063 0 40 DEAB COc1ccc2c(c1)O[C@@]1(C[C@H]3CC[C@H]1C[C@@H]3C(=O)O)NC2=O 247919539 CCWUXQHRZFPQNH-JRUYNEJOSA-N 317.341 2.035 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3ccncn3)C2)s1 257241799 HZPQWFMECQMGJY-ZDUSSCGKSA-N 316.430 2.499 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3c(C)noc3C)CCO2)ccn1 257304101 SKBSSRQKAATALN-AWEZNQCLSA-N 301.346 2.209 0 40 DEAB Cc1nccc([C@@H]2CN(Cc3ccc(C(=O)O)cc3)CCO2)n1 257329460 XKBQNCRVABTYTN-INIZCTEOSA-N 313.357 2.057 0 40 DEAB CC(C)n1nc(O)c(Br)c(Br)c1=O 252494811 OFMSIJLNDXJGMV-UHFFFAOYSA-N 311.961 2.055 0 40 DEAB NC(=O)CN1CCCC[C@H]1c1csc(Nc2ccccn2)n1 257230597 GDADULJCJPWLSE-LBPRGKRZSA-N 317.418 2.294 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NCCCc1ccccc1 298131313 HKMHCEOXPSPDJY-GOEBONIOSA-N 302.418 2.430 0 40 DEAB CC(C)N(C)c1cccc(NC(=O)NCCCc2nc[nH]n2)c1 390835837 ZKMGTTROKTUHGR-UHFFFAOYSA-N 316.409 2.404 0 40 DEAB FC(F)(F)Cn1nnnc1-c1cncc(Br)c1 685938250 NCGMPZWAORIOKL-UHFFFAOYSA-N 308.061 2.060 0 40 DEAB O=C(CC1CC1)N1CC(n2nc(-c3ccccc3)ccc2=O)C1 1776007844 HPYQXYKTSLHRIE-UHFFFAOYSA-N 309.369 2.094 0 40 DEAB O=C(COC(=O)CCCOc1cccnc1)Nc1ccccc1 76090354 ZLEKKPFOUPAVFD-UHFFFAOYSA-N 314.341 2.423 0 40 DEAB O=S1CCN(Cc2cc(F)cc(Br)c2)CC1 93938934 GRSNYMDAXZMINY-UHFFFAOYSA-N 306.200 2.153 0 40 DEAB CN(CC(C)(CO)CO)C(=O)Nc1cc(Cl)cc(Cl)c1 95977161 BHRYOLFHIQOZAW-UHFFFAOYSA-N 321.204 2.448 0 40 DEAB O=C(NC1Cc2ccccc2C1)N[C@H](CO)Cc1ccccc1 153962711 GCCPSJGUBLUDJR-SFHVURJKSA-N 310.397 2.057 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC(c2ccn(C)n2)CC1 575606403 GXUVYYBPNHCOOF-UHFFFAOYSA-N 316.405 2.364 0 40 DEAB O=S(=O)(C1CC1)N1CCC[C@@H](Oc2ccncc2Cl)C1 575604628 AYMQLAUNUKXVLJ-SNVBAGLBSA-N 316.810 2.070 0 40 DEAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nccc(C(F)(F)F)n2)C1 1889065389 MHHUDPROXUMCFC-SECBINFHSA-N 316.327 2.236 0 40 DEAB CSc1nccc(N2CCC(COc3ncccn3)CC2)n1 1889101146 BXICJNARBGXOAD-UHFFFAOYSA-N 317.418 2.284 0 40 DEAB Cc1cc(CN2C[C@H]3CN(c4ncccc4F)C[C@@H]3C2)no1 2086934305 UDKJDTRTUPWXMC-STQMWFEESA-N 302.353 2.085 0 40 DEAB Cc1ccc(O[C@H](C)c2nc(-c3nonc3N)no2)cc1C 35172 RHYNRMGZQHLYTR-SECBINFHSA-N 301.306 2.459 0 40 DEAB Cc1ccccc1CSc1nn2c(=O)c(C)nnc2s1 4338854 YMVFWJJAQMNNLX-UHFFFAOYSA-N 304.400 2.455 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 6228377 CKVVXUIWSFGZHF-UHFFFAOYSA-N 321.380 2.143 0 40 DEAB CC(C)CN[C@H](CC(=O)Nc1cc(Cl)ccc1O)C(=O)O 10186455 KSHGWEWWPKIDOX-LLVKDONJSA-N 314.769 2.073 0 40 DEAB Cn1nccc1-c1cncc(CNC(=O)OCC(F)(F)F)c1 575615067 BRUHCWPDKVBMER-UHFFFAOYSA-N 314.267 2.271 0 40 DEAB CSc1nc(NC[C@H](C)O)c2c3c(sc2n1)CN(C)CC3 20358160 KOZJCYCTYURWJP-QMMMGPOBSA-N 324.475 2.194 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3C(=O)O2)s1 40541698 MIHBOEYHAXKQKL-CQSZACIVSA-N 301.367 2.454 0 40 DEAB CCN(CCC(=O)N1CCc2ccccc21)C[C@@H]1CCCO1 51554971 LNLCLUKMQMIOCU-INIZCTEOSA-N 302.418 2.467 0 40 DEAB O=C(C[C@@H]1NC(=O)c2ccccc2N=C1O)Nc1ccccc1 32124427 UTRNNOXDHINSHB-AWEZNQCLSA-N 309.325 2.415 0 40 DEAB biogenic CCN1CCC(NC[C@H](O)COc2ccc(C)cc2C)CC1 32500645 WJKMWZHTSZKQCG-KRWDZBQOSA-N 306.450 2.117 0 40 DEAB O=C(Nc1ccccc1F)[C@H]1CC(=O)N(CC(F)(F)F)C1 32815709 AYDOVTCZPZHFFV-QMMMGPOBSA-N 304.243 2.175 0 40 DEAB Cc1nc(-c2ccccn2)sc1C(=O)NC[C@H]1CCCO1 22620794 SLRNHAUZRALJCS-LLVKDONJSA-N 303.387 2.422 0 40 DEAB Cc1ccnc2nc(C(=O)N3CCC[C@H]3c3cccs3)nn12 54144933 HXAUBISXGJZUSL-NSHDSACASA-N 313.386 2.472 0 40 DEAB COc1ccc([C@H](CNc2cc(Cl)nc(N)n2)N(C)C)cc1 24056398 UZKOTJNWTPVAJV-LBPRGKRZSA-N 321.812 2.436 0 40 DEAB COC[C@@](C)(NC(=O)c1ccc(Cl)cc1Cl)C(=O)OC 79093823 QTEPKJVAUHVEBL-CYBMUJFWSA-N 320.172 2.301 0 40 DEAB O=C(CNC(=O)N1CCC[C@@H]1C1CCCC1)N1CCCCC1 79611315 BXNPOXVLWFLFDJ-OAHLLOKOSA-N 307.438 2.363 0 40 DEAB Cc1ccnc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccccc32)c1 1361835 BWCMCUPOOAMISO-GFCCVEGCSA-N 311.341 2.143 0 40 DEAB COc1ccc(C)cc1[C@H](O)CN[C@H](C)[C@H](C)n1cccn1 106845433 BJEXIBCHNMWLJF-IJEWVQPXSA-N 303.406 2.473 0 40 DEAB CC(C)CCNC(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O 6325821 QINZLYJGBIFAJE-CYBMUJFWSA-N 312.435 2.003 0 40 DEAB Cc1nnc(S/C(=C\c2cccc(OCC#N)c2)C(=O)O)o1 7603766 IPRLBQRBLZPONU-WQLSENKSSA-N 317.326 2.498 0 40 DEAB CN(Cc1nc(-c2cccnc2)no1)Cc1cnc2ccccn12 95426447 RNGAWFYVWOMARC-UHFFFAOYSA-N 320.356 2.411 0 40 DEAB C[C@@H](Sc1nc2ncccn2n1)C(=O)NCC1CCCCC1 10073960 MZXPPIGDEYBOPD-LLVKDONJSA-N 319.434 2.301 0 40 DEAB Cn1cccc1[C@@H]1CCCN1C(=O)NCc1nnc2ccccn12 44892326 UFUYWKREOMTQKI-AWEZNQCLSA-N 324.388 2.115 0 40 DEAB CC(C)NC(=O)[C@H](C)Sc1nc(O)c2cc(F)ccc2n1 58278496 SIOAXFPRTGHIFW-QMMMGPOBSA-N 309.366 2.480 0 40 DEAB Cc1cccc(-c2nc(CN(C)CC(=O)NC(C)C)no2)c1 44918010 YOVOTABZVACAJG-UHFFFAOYSA-N 302.378 2.001 0 40 DEAB Cc1ccc([C@H](CNC(=O)N[C@H](C)C2CC2)N2CCOCC2)o1 44951802 LJHJOHWRJAXQJA-HIFRSBDPSA-N 321.421 2.059 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NCc1ccnc(N(C)C)c1 44954649 XLZOBVNLPUOQJP-LBPRGKRZSA-N 302.378 2.171 0 40 DEAB NC(=O)[C@@H]1c2ccccc2CCN1CCc1ccc2c(c1)CCO2 95405132 QCZMWLYVFZPASW-IBGZPJMESA-N 322.408 2.249 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2)C1 27931713 JYMYDASMXXRWTI-LLVKDONJSA-N 302.827 2.406 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1ccccc1-n1ccnc1 58433561 XKLUQUCHQKKTJC-UHFFFAOYSA-N 324.432 2.270 0 40 DEAB CCOc1ccc(OC(=O)c2ccc(-n3ccnc3)nn2)cc1 58429905 IGHJGPRLQCIJKB-UHFFFAOYSA-N 310.313 2.280 0 40 DEAB c1nc2c3c4c(sc3nc(NC[C@H]3CCCO3)n2n1)CCC4 2395213 IYHIROWIKFENOX-SECBINFHSA-N 315.402 2.419 0 40 DEAB COc1ccc(O[C@H](C)C(=O)N=c2[nH]c3ccccc3[nH]2)cc1 11558837 SKYUGVFVLZWLII-LLVKDONJSA-N 311.341 2.399 0 40 DEAB NC(=O)COC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 29284122 YRDNOHQXXOKUPT-INIZCTEOSA-N 323.352 2.023 0 40 DEAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H]1CCn2cncc2C1 95445817 IXBPWMPHXPOFMH-HIFRSBDPSA-N 313.401 2.241 0 40 DEAB Cc1cc(C(=O)N(C)CC(=O)NC(C)(C)C)c(C)n1C1CC1 61058692 GXFNOJOEVMNAOH-UHFFFAOYSA-N 305.422 2.427 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cn1 47223813 QWICWHZFBAUJIT-UHFFFAOYSA-N 304.371 2.056 0 40 DEAB NC(=O)c1cnc(NCc2ccc3c(c2)OCO3)c(Cl)c1 47254915 OYDKKTGYPVYSBW-UHFFFAOYSA-N 305.721 2.175 0 40 DEAB O=C(COc1cccc2[nH]ccc12)N=c1[nH]c2ccccc2[nH]1 12324067 DJUSDLRQIIVWDS-UHFFFAOYSA-N 306.325 2.484 0 40 DEAB CCn1cnc2c(Nc3ccc(F)cc3)nc(NCCO)nc21 26532971 JNPVNIHVQDAPGV-UHFFFAOYSA-N 316.340 2.133 0 40 DEAB COCc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc1 48374573 NWBYPRGWYIRXHQ-LBPRGKRZSA-N 310.357 2.367 0 40 DEAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)NCCCCN1CCOCC1 95411128 KDMLLBSJAVCLIS-ZACQAIPSSA-N 323.481 2.461 0 40 DEAB CCOC(=O)COc1cccc(I)c1 25336336 HEOIVYCQWPDJOI-UHFFFAOYSA-N 306.099 2.233 0 40 DEAB CC(C)CNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F 3425020 JGFASDSGKBMRCN-UHFFFAOYSA-N 322.258 2.104 0 40 DEAB C[C@H]1CC[C@@H](C)N(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1 75545103 DIOYGAUKHXRWDR-VHSXEESVSA-N 301.346 2.223 0 40 DEAB COc1ccc(C(=O)O)c(OCC(=O)NC2CCCCC2)c1 13084179 XDQVESBJPMVVAX-UHFFFAOYSA-N 307.346 2.221 0 40 DEAB CN(C(=O)c1ccc(F)cc1Br)[C@H]1CCNC1 71310189 ASXMJPQTOIMQNV-VIFPVBQESA-N 301.159 2.022 0 40 DEAB Cc1ccc(NC(=O)CSc2nc(O)cc(O)n2)c(C)c1 13325320 WEMUUQZWSMQMLU-UHFFFAOYSA-N 305.359 2.235 0 40 DEAB CC[C@H](C)NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 22273260 VPSMZKKYTZRUAW-JTQLQIEISA-N 318.826 2.021 0 40 DEAB CN1CCN(NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 4150422 XMDUNHZWXQPPMD-HWKANZROSA-N 314.216 2.285 0 40 DEAB O=C1CCCCN1Cc1cccc(NC(=O)N2CCOCC2)c1 65281588 IUVSIKWTXYCZRH-UHFFFAOYSA-N 317.389 2.063 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H](n2cccn2)C1 65611365 DAJAPTSFDMAYIY-JYJNAYRXSA-N 321.421 2.021 0 40 DEAB C[C@@H]1CN(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)CCO1 65609212 CZXXDOHWOAINFB-GFCCVEGCSA-N 300.362 2.007 0 40 DEAB CCOC(=O)C1=C(C)N(CCOC)C(=O)N[C@H]1c1cccs1 9482512 UYNQLVNVKMUMQJ-ZDUSSCGKSA-N 324.402 2.298 0 40 DEAB CN(C)S(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 96494498 RRRJRLNEFDTMJM-UHFFFAOYSA-N 318.358 2.108 0 40 DEAB CC(C)(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccc(F)cc1 96409047 RKJAIKMZRGGXHV-SMDDNHRTSA-N 322.380 2.332 0 40 DEAB CC(C)Oc1ccccc1C(=O)NCCn1cnnc1C1CC1 96412664 DGLFHXCBQKNWEU-UHFFFAOYSA-N 314.389 2.373 0 40 DEAB O=C(CN1CCC[C@H]1Cn1cccn1)Nc1ccc(Cl)cn1 71875533 KXMLJVCSFYPNSN-ZDUSSCGKSA-N 319.796 2.035 0 40 DEAB CC(C)c1ccccc1OCCNC(=O)c1ccc(=O)n(C)c1 71894391 CWBUZSMQMULNAJ-UHFFFAOYSA-N 314.385 2.318 0 40 DEAB COc1cc2c(cc1CNCCNc1ncccn1)O[C@H](C)C2 71825404 AGRHJXRFSVYTGR-GFCCVEGCSA-N 314.389 2.010 0 40 DEAB Cc1ccc2oc(=O)n(CN3CCN(C4CCCC4)CC3)c2c1 71817263 QJIISEMDVRPKPS-UHFFFAOYSA-N 315.417 2.421 0 40 DEAB COCCNC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 71883788 JHAGEQGWUBPLFN-UHFFFAOYSA-N 310.354 2.036 0 40 DEAB CN(C)CCN(C)C(=O)Nc1cc(F)cc(N2CCCC2)c1 83851011 ZJTMKSXDUBEISK-UHFFFAOYSA-N 308.401 2.451 0 40 DEAB Cc1ccoc1C(=O)NCCCNC(=O)Cc1cccc(F)c1 71915365 XFSXDAFMCDZOOS-UHFFFAOYSA-N 318.348 2.206 0 40 DEAB COc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cn1 8078059 OWKVLHVCEATHJY-UHFFFAOYSA-N 311.341 2.469 0 40 DEAB c1ccc(-c2nc(CN3CCO[C@H](Cn4cccn4)C3)co2)cc1 69385421 VGLCRELMEXMOAM-KRWDZBQOSA-N 324.384 2.439 0 40 DEAB OC[C@H]1CCCN(c2cc(NC[C@H]3Cc4ccccc43)ncn2)C1 91454859 ZLKWBLRXOAULGD-GOEBONIOSA-N 324.428 2.437 0 40 DEAB COc1ccc(CN2CCO[C@@H](Cn3cc(C)cn3)C2)cc1F 69451580 DSZHROIVAWJJQV-OAHLLOKOSA-N 319.380 2.240 0 40 DEAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@@H](C(C)C)C1=O 9861541 URRCBELBVVGNGY-AWEZNQCLSA-N 317.389 2.072 0 40 DEAB C[C@@H](c1nc(C2CC2)no1)N1CCC[C@H](Cn2cncn2)C1 69630442 DCHVRUQOBOLNDY-RYUDHWBXSA-N 302.382 2.012 0 40 DEAB COc1ccc([C@@H](C)N2CCN(C[C@@H](C)O)CC2)cc1Cl 69869769 JRBWJEAKUMVAOM-CHWSQXEVSA-N 312.841 2.408 0 40 DEAB O=c1nc(NCCc2ccccc2)[nH]nc1Cc1ccccc1 8914135 SHDVQPHJJWQSRU-UHFFFAOYSA-N 306.369 2.410 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)CC[C@H]2CCCO2)c(C)nn1C 72234371 BNKNQJXJVVILQD-KGLIPLIRSA-N 321.421 2.360 0 40 DEAB O=C(NCC1CCCCC1)[C@H]1CCCN1C[C@H](O)C(F)(F)F 97141834 DXWSCXHIGLHFIL-OLZOCXBDSA-N 322.371 2.071 0 40 DEAB COc1ccc([C@@H](CO)Nc2ncc(Br)cn2)cc1 95397831 RWXCTTOEEDWWGD-GFCCVEGCSA-N 324.178 2.393 0 40 DEAB CC(C)c1nsc(N2CCn3c(nnc3C(F)(F)F)C2)n1 89893709 IDDFALHCOYPIGJ-UHFFFAOYSA-N 318.328 2.292 0 40 DEAB CCC1=NN(C(=O)c2ccc(O)cc2)[C@](O)(c2ccncc2)C1 408751543 WXTUCENPIZBVEP-QGZVFWFLSA-N 311.341 2.244 0 40 DEAB C[C@@H]1CN(C(=O)c2ccccc2-n2ccnn2)CC2(CCC2)O1 518774144 VLYBJRTVVJXIFE-CYBMUJFWSA-N 312.373 2.051 0 40 DEAB COc1cc(-c2noc([C@H]3CCCNC3)n2)cc(OC)c1OC 72265103 RICQIGWFQKPCIV-JTQLQIEISA-N 319.361 2.229 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)C(=O)CCc1ccc(F)cc1 79042192 XMELYRIPTATWRG-GFCCVEGCSA-N 315.410 2.040 0 40 DEAB CN(Cc1nccn1C)C(=O)[C@H]1SCCc2ccccc21 79994137 BHQYDIGBKMEIOX-HNNXBMFYSA-N 301.415 2.409 0 40 DEAB CSc1nnc(NC(=O)[C@@H]2COc3ccccc3O2)s1 39989314 NGRIMQNXSQNXPM-VIFPVBQESA-N 309.372 2.039 0 40 DEAB CCOC(=O)C1=NN(c2cccc(Cl)c2C)[C@H](C(=O)O)C1 71979417 XSOAICUFPBTIDS-LBPRGKRZSA-N 310.737 2.231 0 40 DEAB COc1ccc2c(c1)OC[C@@H]2CC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C 567238062 IDEJAKOVJKUGBC-MQYQWHSLSA-N 319.401 2.491 0 40 DEAB CNC(=O)c1cccc(CNC(=O)N2CCC[C@@H](C)CC2)c1 63402445 VETALQISXVYRJG-CYBMUJFWSA-N 303.406 2.378 0 40 DEAB CCn1cc(CNC2CCC(Oc3cnccn3)CC2)cn1 190321300 RNJCURACQLGXDA-UHFFFAOYSA-N 301.394 2.173 0 40 DEAB CC(C)Cc1nc(CNc2ccc3oc(=O)n(C)c3c2)no1 86205261 MJFLQFLIUMCIEK-UHFFFAOYSA-N 302.334 2.325 0 40 DEAB O=S(=O)(c1cccc2ccoc12)N1CCOCC12CCC2 333406807 JNMCQWOJHODEGU-UHFFFAOYSA-N 307.371 2.376 0 40 DEAB Cc1occc1C(=O)N1C[C@H]2CN(Cc3ccccn3)C[C@@H]2C1 96110643 AFZOOEWTNSMXHW-HUUCEWRRSA-N 311.385 2.187 0 40 DEAB Cc1cccc(CN2CC[C@H]3[C@@H]2CC(=O)N3Cc2ccncc2)n1 96081326 ILKTXEXVGGOCBI-ROUUACIJSA-N 322.412 2.160 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)[C@@H]1C[C@H]1c1ccco1 96446851 ATZTVIKHFCHNNE-ZIAGYGMSSA-N 305.374 2.433 0 40 DEAB Cc1nsc(N2CCN(Cc3ncc(C(C)(C)C)o3)CC2)n1 96429431 YDOFGPGNBYIFIG-UHFFFAOYSA-N 321.450 2.454 0 40 DEAB Cc1cc(C(=O)Nc2nc(C(C)C)n[nH]2)c2c(C)nn(C)c2n1 95474419 WRTYGMZLALMXSW-UHFFFAOYSA-N 313.365 2.079 0 40 DEAB CCc1cnc(N2C[C@@H](c3ccccc3)[C@@]3(CCNC3=O)C2)nc1 96201821 CSPOPOVJNNRICZ-QFBILLFUSA-N 322.412 2.149 0 40 DEAB CCOc1ncnc2c1CCN(Cc1csc(C)n1)CC2 96255603 GGJPLLLGPCXKHU-UHFFFAOYSA-N 304.419 2.241 0 40 DEAB Cc1cc(CN2CC3(C2)OCC[C@H]3COc2cccnc2)no1 247923209 OQQPYWHTAMGJKX-AWEZNQCLSA-N 315.373 2.048 0 40 DEAB O=S(=O)(CCc1ccccc1)NCC[C@@H](O)c1ccccc1 85436463 XLLODVMADWIBDJ-QGZVFWFLSA-N 319.426 2.272 0 40 DEAB O=C(NCc1ccnnc1)c1ccnc(Cc2ccccc2)c1 257253427 JYXPXBJDZQIMMP-UHFFFAOYSA-N 304.353 2.392 0 40 DEAB CNc1cccc([C@@H]2CN(Cc3scnc3C)CCO2)n1 257230421 GCGBZSIDCWJFRE-ZDUSSCGKSA-N 304.419 2.462 0 40 DEAB CO[C@H](CNC(=O)[C@@H]1COc2ccccc2O1)c1ccsc1 96097388 DUIWTDUFKXCROW-CABCVRRESA-N 319.382 2.392 0 40 DEAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)Cc3ccccn3)C[C@H]21 585110016 VTGMDXUHPIHXEJ-BBRMVZONSA-N 322.412 2.336 0 40 DEAB OC[C@]1(Cc2ccccc2F)CN(Cc2cccnc2)CCO1 585275295 CKQQUMHPOWBEDF-SFHVURJKSA-N 316.376 2.027 0 40 DEAB COc1cccc([C@@H](C)N2CCN(C(=O)NC3CC3)CC2)c1 69703170 GFOIONCJTKUVMR-CYBMUJFWSA-N 303.406 2.246 0 40 DEAB CCOC(=O)CN1CCC[C@H](OC(=O)C[C@@H](C)n2cccc2)C1 72310678 RAWANYGOBYIVPZ-CABCVRRESA-N 322.405 2.010 0 40 DEAB O=C1O[C@H](C(=O)N2CCc3ccccc3C2)Cc2ccccc21 44867849 ZTFAAGOEZOHAOC-KRWDZBQOSA-N 307.349 2.353 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CC(COc2cccnc2)C1 1775995691 DZKCATUHSKDEFY-UHFFFAOYSA-N 318.323 2.440 0 40 DEAB Cc1nc(CCNC(=O)[C@H]2COc3ccccc3C2)cs1 40489824 XOMYTCHEMCEVEK-CYBMUJFWSA-N 302.399 2.362 0 40 DEAB Cc1nc2c(OCc3ccccc3)cccn2c(=O)c1CCO 85221405 AYNDDJMEHBUOGI-UHFFFAOYSA-N 310.353 2.117 0 40 DEAB in-vitro Cc1cc(F)ccc1-n1ccc(NC(=O)N[C@H](C)[C@@H](C)CO)n1 96010698 HMSPFAPLQIDIIV-NWDGAFQWSA-N 320.368 2.458 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(-c3ccn(C)c3)[nH]n2)CC2(CCC2)O1 578786414 JSHZBXMSYKPJDP-GFCCVEGCSA-N 314.389 2.199 0 40 DEAB CSc1ncc(C(=O)N(C)CCOc2ccccc2)cn1 12325399 HAIJTLOAYOEAPE-UHFFFAOYSA-N 303.387 2.350 0 40 DEAB COc1ccc([C@H]2Nc3ncnn3[C@@H](c3ccccc3)[C@@H]2N)cc1 15830344 IWWSVINQONJVDG-ZACQAIPSSA-N 321.384 2.370 0 40 DEAB O=C1N=C(O)[C@@H]2[C@H](c3cccs3)NN(Cc3ccccc3)[C@@H]12 19168279 UNJUMYAFCQFLMU-HZSPNIEDSA-N 313.382 2.291 0 40 DEAB CC(=O)N1CCC[C@@H](c2ccnc(Nc3nccs3)n2)C1 643550894 SJUSZNATZQLOAK-LLVKDONJSA-N 303.391 2.403 0 40 DEAB CC(=O)Nc1ccc(C(=O)Nn2cnc3ccccc32)s1 10301145 VLAWFIZRQSKDJX-UHFFFAOYSA-N 300.343 2.440 0 40 DEAB O=C([C@H]1CN(c2nc3ccccc3o2)CCO1)N1CCCCC1 1888849403 JNGPDXCSZLZABK-OAHLLOKOSA-N 315.373 2.046 0 40 DEAB CN(C)C(=O)[C@@H](Sc1nnnn1C(C)(C)C)c1ccccc1 16291139 ODDVCGBDPNXUCJ-LBPRGKRZSA-N 319.434 2.350 0 40 DEAB O=C(CCCN1C(=O)NC2(CCCC2)C1=O)Nc1ccccc1 23624346 XZPJMZDMYDDICX-UHFFFAOYSA-N 315.373 2.270 0 40 DEAB Cc1c(C(=O)N2CCn3nccc3C2)cnn1-c1ccccc1 238952075 XDLKEJCBVLIBLD-UHFFFAOYSA-N 307.357 2.033 0 40 DEAB O=C(Cn1ccc2ccccc21)N[C@@H]1CC[C@H]2OCCO[C@H]2C1 253473103 RKFLWTKQXINOBE-OIISXLGYSA-N 314.385 2.094 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H](C)S[C@@H](C)C2=O)c(C)c1 2710789 MCJOVQLCUNBOCS-RYUDHWBXSA-N 320.414 2.121 0 40 DEAB CCCCCCN[C@@H](CC(=O)Nc1cccc(O)c1)C(=O)O 4280048 OEZONSAEZRXEPV-AWEZNQCLSA-N 308.378 2.344 0 40 DEAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1cncc(F)c1 618256296 GAFHRGCMVIOTQX-CQSZACIVSA-N 305.378 2.287 0 40 DEAB CN(C)c1ccnc(N2CCC[C@@H](COc3nccs3)C2)n1 2298184002 LZJMISLEGNZHCG-GFCCVEGCSA-N 319.434 2.295 0 40 DEAB CC[C@@H]1CN(C(=O)c2nn(-c3ccccc3)cc2OC)CCO1 30855010 ZMTKPWJLWURYPO-CQSZACIVSA-N 315.373 2.132 0 40 DEAB CCOC(=O)c1c(O)c2cccnc2n(Cc2ccccc2)c1=O 21033 BOPDJAQEUZISPA-UHFFFAOYSA-N 324.336 2.327 0 40 DEAB Cc1nc(NC(=O)C[C@H]2C=CCC2)sc1SCC(N)=O 31120068 RZOKNUIFDOXNMB-VIFPVBQESA-N 311.432 2.324 0 40 DEAB COc1ccc2c(CN3C[C@H](C)O[C@H](C)C3)cc(=O)oc2c1 20609888 ZEXPJNALIUUXEL-TXEJJXNPSA-N 303.358 2.411 0 40 DEAB biogenic Cc1c(C(=O)N2CC[C@H](C(N)=O)C2)sc2cccc(F)c12 41128429 VCQOCKQKOQIDJK-VIFPVBQESA-N 306.362 2.296 0 40 DEAB CNC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 32955685 UBCWBSUEPDMWOX-UHFFFAOYSA-N 320.352 2.484 0 40 DEAB CO[C@H](NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl 116020 AUKRGFNYGGPNEW-QMMMGPOBSA-N 318.609 2.308 0 40 DEAB CCOc1cc(NC(=O)N(C)Cc2cnn(C)c2)ccc1OC 47581709 PRTBBOBBTNGQNQ-UHFFFAOYSA-N 318.377 2.491 0 40 DEAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)OC 422467 YCQVBEPJSNWMJA-UHFFFAOYSA-N 320.418 2.484 0 40 DEAB CCOCCC(=O)OCC(=O)N(C)[C@H]1CCCc2ccccc21 78478073 DPCODDNLTKQPGO-INIZCTEOSA-N 319.401 2.492 0 40 DEAB Cc1nccc(C(=O)N(Cc2cccnc2)C[C@H]2CCCO2)n1 79837907 KCPCODAWIMXHJM-OAHLLOKOSA-N 312.373 2.001 0 40 DEAB C[C@@H](c1ccccc1)n1cc(C(=O)NCc2cccnc2)nn1 4092663 FINMIPDMUGRDNJ-ZDUSSCGKSA-N 307.357 2.212 0 40 DEAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1 6376913 SYYOKJZELFJPSV-NSHDSACASA-N 318.373 2.236 0 40 DEAB NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl 6919729 RFWISQAXDLPHSU-UHFFFAOYSA-N 310.762 2.240 0 40 DEAB CNC(=O)c1nnsc1N1CCC(c2ccccc2)CC1 1416956 WQRBBUPHTPZNSB-UHFFFAOYSA-N 302.403 2.282 0 40 DEAB CCCNC(=O)CNC(=O)C[C@H]1CCCc2cc(OC)ccc21 57039998 JCIPYWSSSFDPJZ-CQSZACIVSA-N 318.417 2.148 0 40 DEAB CN1C[C@@H](c2cc(O)n3ncc(-c4ccccc4)c3n2)CC1=O 100775600 MGIOIVUIAGLCAS-LBPRGKRZSA-N 308.341 2.048 0 40 DEAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2CCNCC2)cc1 12506056 KTORFHRWACLQAG-UHFFFAOYSA-N 319.405 2.008 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NCC(=O)N1C[C@H](C)O[C@H](C)C1 108374267 VKWZXLRBBOVCMH-FRRDWIJNSA-N 324.396 2.121 0 40 DEAB CN1CC[C@H](C(=O)N2CCC[C@H]2Cc2ccccc2)CC1=O 44370304 XVJLJLIIFSTABA-HOTGVXAUSA-N 300.402 2.089 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1ccc(-n2ccnc2C)nc1 58157454 ZVRJJOBQPQZWTC-UHFFFAOYSA-N 311.345 2.362 0 40 DEAB COCCCNC(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 57355931 OGQQSQPGLFEKIE-NVXWUHKLSA-N 318.417 2.057 0 40 DEAB CN(Cc1cnn(C)c1)S(=O)(=O)C1=Cc2ccccc2CC1 44868350 KOZGFQSIKAGYFM-UHFFFAOYSA-N 317.414 2.169 0 40 DEAB CC1(C)COCCN1C(=O)CCNC(=O)c1ccc(Cl)cc1 58283486 BQBLYAMUUWWWAH-UHFFFAOYSA-N 324.808 2.097 0 40 DEAB COCCOc1ccccc1CNS(=O)(=O)c1ccccc1 58264995 WFGQNHQMOCTSQI-UHFFFAOYSA-N 321.398 2.190 0 40 DEAB O=C(NCCCOCc1ccco1)N[C@@H]1CCN2CCCC[C@H]12 44967160 DAPLLRNSYSNNPA-HZPDHXFCSA-N 321.421 2.112 0 40 DEAB CN(Cc1ccccc1)C(=O)CCNC(=O)COC1CCCC1 58316377 SGBSAPHWCYJTTM-UHFFFAOYSA-N 318.417 2.111 0 40 DEAB CN(C)c1cccc(CNC(=O)[C@H]2COc3ccccc3O2)c1 58364945 WGBGPXRSLOGOSE-QGZVFWFLSA-N 312.369 2.209 0 40 DEAB CCN1CCC(N(C)S(=O)(=O)c2cc(C)sc2C)CC1 27970989 PQRVQTDTRRWWBA-UHFFFAOYSA-N 316.492 2.470 0 40 DEAB O=C(NC[C@H](O)c1ccccc1F)Nc1ccc2c(c1)OCO2 58755549 UHLKBEHDMMVLLS-ZDUSSCGKSA-N 318.304 2.410 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 55449093 DKAGUDWLMJDDMO-BPUTZDHNSA-N 317.385 2.398 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c(C)c1 102305732 YNTFPZKHCJCOIL-CHUNWDLHSA-N 317.385 2.359 0 40 DEAB NC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1C1CC1 11263612 YJAIQWOOURLCSZ-UHFFFAOYSA-N 316.386 2.172 0 40 DEAB CCN(CC)[C@@H](C)CNC(=O)COCc1cccc(OC)c1 46766970 BTFFNKOWVXOUFD-AWEZNQCLSA-N 308.422 2.058 0 40 DEAB CCCC(=O)Nc1ccc(CN2C(=O)[C@H](C)NC2=S)cc1 55178902 LQUJMABAYZQZRV-JTQLQIEISA-N 305.403 2.030 0 40 DEAB COCCCNC(=S)Nc1ccc(C(=O)N2CCCC2)cc1 2809090 KOBFAFHCIQHVMQ-UHFFFAOYSA-N 321.446 2.246 0 40 DEAB COCCN1CCCN(C(=O)c2ccc3ncsc3c2)CC1 48251611 DKLFACGRUBISDM-UHFFFAOYSA-N 319.430 2.091 0 40 DEAB COc1ccccc1OCCN(C)Cc1nc(C2CC2)no1 48236890 VYJLVJXZPJSRTE-UHFFFAOYSA-N 303.362 2.466 0 40 DEAB O=C(CCc1nc(-c2cccnc2)no1)NCc1ccccc1 64799519 IFNKUGGTOSRWCW-UHFFFAOYSA-N 308.341 2.381 0 40 DEAB CCOc1c(CN2CCC3(C2)OCCO3)c(C)nn1CC(C)C 93012849 VTPUOVFRSMGRMV-UHFFFAOYSA-N 323.437 2.195 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 48382386 XZGZKNQONOOMCZ-CHWSQXEVSA-N 318.329 2.470 0 40 DEAB C[C@H](O)c1ccc(-c2ccc(CNCCNC[C@@H](C)O)o2)cc1 38246118 RAFNFWJWBDXRDD-KGLIPLIRSA-N 318.417 2.060 0 40 DEAB Cc1cc([C@H]2CCCN(CC(=O)N[C@@H](C)c3ccco3)C2)n[nH]1 84110915 ZEKWOIOQEVTELG-KBPBESRZSA-N 316.405 2.368 0 40 DEAB CCc1nnc2n1C[C@@H](NC(=O)Cc1ccc3c(c1)CCC3)CC2 65457913 PICJOFFEMWVCSE-INIZCTEOSA-N 324.428 2.003 0 40 DEAB COCCOCCCC(=O)NC[C@H](c1ccc(C)cc1)N(C)C 65588573 OESODRITYYULJI-QGZVFWFLSA-N 322.449 2.157 0 40 DEAB CC(C)c1nn(C)c(N(C)C)c1CNC1CCN(C2CC2)CC1 65538514 CSLZTDFWODWIJH-UHFFFAOYSA-N 319.497 2.326 0 40 DEAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccccn2)CC1 65577685 CFPMXBUJTSAMLA-ZDUSSCGKSA-N 318.421 2.486 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@H](n3cccn3)C2)CC1 65611221 IHEAZOOFKKUIMM-KRWDZBQOSA-N 318.465 2.415 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 5461641 XQCAPQCPJODDFO-KGLIPLIRSA-N 317.341 2.469 0 40 DEAB Cc1cccc(NC(=O)CCn2c(=O)n(C)c3ccccc32)n1 14304652 SGFFQGLTMWTLSY-UHFFFAOYSA-N 310.357 2.072 0 40 DEAB OCCCNc1nc2sc3c(c2c2ncnn12)CCCC3 5500550 KSKXHEJKQPNYHC-UHFFFAOYSA-N 303.391 2.012 0 40 DEAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCCO3)no1 14704416 RNZUXZPNDSXWMN-SNVBAGLBSA-N 303.318 2.193 0 40 DEAB Cc1cc2oc(=O)cc(COC(=O)C3=COCCO3)c2cc1C 4871276 PWSHLXSCJHEROG-UHFFFAOYSA-N 316.309 2.341 0 40 DEAB Cc1cc(Br)oc1C(=O)N1CCCC[C@@H]1C(=O)O 96402683 MKJRJHUZXXFNBH-MRVPVSSYSA-N 316.151 2.430 0 40 DEAB Cc1ccc(OCCC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c(C)c1 67699981 JUYBLWIZNCJEQM-AWEZNQCLSA-N 320.433 2.492 0 40 DEAB CN(CC1CCC1)C(=O)N[C@@H](Cn1cncn1)c1ccccc1 96405612 HGKVSAGQOOFLFD-INIZCTEOSA-N 313.405 2.461 0 40 DEAB NC(=O)c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@H]32)cc1 7467596 DYXNCPRNNPCLGW-CZUORRHYSA-N 316.401 2.346 0 40 DEAB CCO[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C1 71825595 ONRXHHSEWFANEZ-TZMCWYRMSA-N 302.374 2.140 0 40 DEAB COc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cn1 8018883 JGECSKAZLJVJPF-UHFFFAOYSA-N 302.330 2.289 0 40 DEAB O=C(CCCNC(=O)C1CC1)N[C@H]1CCc2ccc(F)cc21 71883426 QNHLBSXCOBMWKH-HNNXBMFYSA-N 304.365 2.236 0 40 DEAB Cc1ccc([C@H]2C[C@H]2NC(=O)N2CCC(C(N)=O)CC2)cc1C 71837326 CRFGQXFKJRRSCP-HZPDHXFCSA-N 315.417 2.066 0 40 DEAB O=C(NCC(=O)N1CCOc2ccccc21)NC1CCCCC1 69350686 AEFCEEBSMNKHPG-UHFFFAOYSA-N 317.389 2.044 0 40 DEAB CC(C)NC(=O)CCNC(=O)NCC[C@H](C)c1ccccc1 69347528 DGOPBTFHPJQETC-AWEZNQCLSA-N 305.422 2.394 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)[C@@H]1Cc2ccccc2S1 71920706 YTHBORDHAQCSRA-BBRMVZONSA-N 321.442 2.263 0 40 DEAB CCCn1c(S[C@H]([C@H]2CCCO2)C(F)(F)F)n[nH]c1=O 71911287 ZEEPPPLRTFDWLC-HTQZYQBOSA-N 311.329 2.183 0 40 DEAB CCn1nc(C)c(CN[C@H]2CCCN(c3cccnn3)C2)c1C 69949921 STGVANVKEMFBLU-HNNXBMFYSA-N 314.437 2.068 0 40 DEAB COc1ccc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cn1 69950615 VKWNRIHSERNFQZ-UHFFFAOYSA-N 323.393 2.123 0 40 DEAB CCCn1c(=O)n(CC(=O)NCCC(C)C)c2ccccc21 21586173 CMIYDFNEUGTNBC-UHFFFAOYSA-N 303.406 2.375 0 40 DEAB Cn1ncc2c(NCc3ccccc3-n3ccnc3)ncnc21 95434856 GVBSWHKATTYWOE-UHFFFAOYSA-N 305.345 2.161 0 40 DEAB Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1ccc(Cl)nc1 72758560 TXWSQUGHOPOIEQ-UHFFFAOYSA-N 316.722 2.135 0 40 DEAB Cc1cc(C)c(C)c(OCCCNC(=O)c2cc[nH]c(=O)c2)c1 95414573 XSRCEWOQTHJBHV-UHFFFAOYSA-N 314.385 2.499 0 40 DEAB CC(=O)N1CCC[C@@H](C(=O)N[C@H](C)c2ccc(F)c(F)c2)C1 95947177 XTTRVUIIDMQZIV-ZWNOBZJWSA-N 310.344 2.401 0 40 DEAB O=C(NC[C@H]1CCOc2ccccc21)C(F)(F)C1(O)CCC1 95978645 QSSFEKYPWNWSPD-LLVKDONJSA-N 311.328 2.219 0 40 DEAB CC(C)NC(=O)CCNC(=O)N[C@H]1C[C@H]1c1ccc(Cl)cc1 89885222 TZHKHCFMQSXVJU-KBPBESRZSA-N 323.824 2.410 0 40 DEAB CC(C)(C)CC(=O)NCC(=O)N1CCOC[C@@H]1c1ccccc1 76068308 XNRZOPBRRSSGNF-OAHLLOKOSA-N 318.417 2.139 0 40 DEAB CCOC(=O)C1(C(=O)NCCN(CC)c2ccccc2C)CC1 76060670 DRBBWAASFQDGOU-UHFFFAOYSA-N 318.417 2.281 0 40 DEAB CCCc1nc(NC(=O)N[C@H](C)Cn2cncn2)sc1CC 76082098 AHXKUIMMJCHZRF-SNVBAGLBSA-N 322.438 2.460 0 40 DEAB CO[C@@H]1CCC[C@H]([C@@H](NC(=O)Cc2cccc(F)c2)C(=O)O)C1 514824020 MFUCHTUMZUQYPV-JGGQBBKZSA-N 323.364 2.143 0 40 DEAB CN1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 37974761 QVFGUMJUSCHFOY-UHFFFAOYSA-N 317.614 2.490 0 40 DEAB Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@H](C)n1cncn1 189842126 BPQLDWXLOXWNRM-JTQLQIEISA-N 312.295 2.483 0 40 DEAB CCn1nc(C)c2nc(C(C)C)nc(N3CCN(C)CC3)c21 72238345 VYPKVWKNGLSIEO-UHFFFAOYSA-N 302.426 2.030 0 40 DEAB CC(C)O[C@H](C(=O)NCc1cccc(CO)n1)c1ccccc1 565667432 QFOUKPHZSWKCID-KRWDZBQOSA-N 314.385 2.356 0 40 DEAB COCc1nn2c(c1-c1ccccc1)NN=C1C2=CC=NN=C1O 40391298 MIFNPIGPAWKENG-UHFFFAOYSA-N 322.328 2.275 0 40 DEAB O=C(N[C@@H]1CCCN(c2ccccn2)C1)c1n[nH]c2ccccc12 131112307 FDDLECIQKANDQU-CYBMUJFWSA-N 321.384 2.357 0 40 DEAB CCOC(=O)c1nn(-c2ccc(Cl)nc2Cl)nc1C 89261808 JTHWYBQMCDQSSW-UHFFFAOYSA-N 301.133 2.454 0 40 DEAB CCN(C[C@H]1CCN(C(=O)c2cscn2)C1)CC(F)(F)F 81453016 XYPYUAASJHMPGK-SNVBAGLBSA-N 321.368 2.489 0 40 DEAB Cc1cncc(C(=O)N2CCOC[C@@H]2c2csc(C)n2)c1 96220005 IBVYXDAARBGTNH-CQSZACIVSA-N 303.387 2.369 0 40 DEAB Cc1noc([C@H]2C[C@H]3OCC[C@H]3N(C(=O)c3ccoc3C)C2)n1 96057628 WEVYUBRUEFATIW-IACUBPJLSA-N 317.345 2.067 0 40 DEAB COC[C@H]1COCCC12CCN(C(=O)C1CC(F)(F)C1)CC2 96106347 BNQPDVIOVLRNOL-ZDUSSCGKSA-N 317.376 2.323 0 40 DEAB COCCn1c(C(=O)Nc2ncn[nH]2)cc2cc(Cl)ccc21 95478815 ZGHSMFQIGBIIDV-UHFFFAOYSA-N 319.752 2.312 0 40 DEAB Cc1noc(C)c1CN1CC[C@H]2[C@@H](CC1)OCCN2CC1CC1 96249309 YWJTZULSFFEVBM-ZWKOTPCHSA-N 319.449 2.367 0 40 DEAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCn2nccc2C1 238863357 LEQNRRCGVYOQGZ-UHFFFAOYSA-N 311.263 2.438 0 40 DEAB c1nnc([C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)n1C1CC1 91629118 RSGPWRIPEJVWCZ-GFCCVEGCSA-N 314.393 2.253 0 40 DEAB CCOC[C@H]1CN(C(=O)c2cc(C)oc2C)Cc2c1cnn2C 96044611 XHYLOPXNZPAEIU-CYBMUJFWSA-N 317.389 2.406 0 40 DEAB COC(=O)[C@@H]1CN(Cc2ncc(-c3ccccc3C)o2)CCO1 96441411 UBVTWVXXZQDWQS-HNNXBMFYSA-N 316.357 2.024 0 40 DEAB O=C(NC1CC1)N1CCC(n2ccc(C(F)(F)F)n2)CC1 96496685 JCPXLCPJOVPNKB-UHFFFAOYSA-N 302.300 2.411 0 40 DEAB Cc1ccc2c(n1)N(CC1CC1)CCN(C(=O)NC1CC1)C2 96199088 MIWIPSWNTBUVRT-UHFFFAOYSA-N 300.406 2.294 0 40 DEAB c1cncc(CO[C@@H]2[C@H]3CC[C@H]2N(C2CCOCC2)CCO3)c1 247923711 CVRWZMICQVUWHQ-KURKYZTESA-N 318.417 2.009 0 40 DEAB CNc1cc(C)nc([C@H]2COCCN2Cc2cccs2)n1 257246503 IUJLNVDSADLVLZ-CYBMUJFWSA-N 304.419 2.462 0 40 DEAB O=C(C1CCC(F)(F)CC1)N1CCC2(CC1)OCCC[C@@H]2O 257201144 AGMIGRHLEZXDTL-ZDUSSCGKSA-N 317.376 2.344 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cc(-c3ccnn3C(C)C)ncn2)C1 257231788 GIFZZPZHLMJACM-AWEZNQCLSA-N 313.405 2.332 0 40 DEAB Cc1cnc([C@H]2CN(Cc3nccn3C(C)C)CCO2)cn1 257315508 VBSHBFYOHWLONF-OAHLLOKOSA-N 301.394 2.136 0 40 DEAB O=C(CC1CCN(CC(F)(F)F)CC1)NCc1nccs1 585140444 DXZUPUMZAOHEAM-UHFFFAOYSA-N 321.368 2.424 0 40 DEAB Cc1cnc(OC[C@@H]2CCn3nccc3CN2C2CCC2)nc1 585096983 GJEMUIPMRYMFQQ-INIZCTEOSA-N 313.405 2.187 0 40 DEAB CO[C@@H]1CN(Cc2cc[nH]n2)C[C@]12C[C@H](c1ccccc1)CO2 585290489 DVROXXMDUODFLD-CGTJXYLNSA-N 313.401 2.183 0 40 DEAB C[C@H](Cn1cccn1)NCCC(=O)NCc1ccccc1Cl 70015734 LAFNZDQBYZVFMM-CYBMUJFWSA-N 320.824 2.221 0 40 DEAB CS(=O)(=O)Nc1ccccc1CNC(=O)c1cccs1 36392417 OIVJIGMMRPZEKG-UHFFFAOYSA-N 310.400 2.050 0 40 DEAB C[C@H]1CCCCN1CCNC(=O)CCc1nc2ccccc2[nH]1 47144576 LQJMEJNCMWOHDN-AWEZNQCLSA-N 314.433 2.486 0 40 DEAB O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H]1c1ccc(Cl)cc1 95401971 QEAHVPRKJUWRPQ-WCQYABFASA-N 313.806 2.048 0 40 DEAB CC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)[C@@H](O)c1ccccc1F 97228203 RZABUKGWHOLCNF-ZBFHGGJFSA-N 318.348 2.064 0 40 DEAB O=C(O)c1cccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)c1 16900970 YYKNVDNTZUDVAI-AWEZNQCLSA-N 310.309 2.129 0 40 DEAB CC/[S@@](=N\S(=O)(=O)c1ccc(C)cc1)c1cccc[n+]1[O-] 16952509 AMHTWDFZMDXFLX-FQEVSTJZSA-N 324.427 2.198 0 40 DEAB CN(C)C[C@@H](CC1=C(C[C@H](CN(C)C)N(C)C)CCC1)N(C)C 19365236 LAAYVNAGMUFKIX-RTBURBONSA-N 324.557 2.231 0 40 DEAB COc1ccc([C@H]2CC(=O)c3cn4ncnc4nc3C2)cc1OC 19816479 FPUVRYANRGXEOJ-LLVKDONJSA-N 324.340 2.054 0 40 DEAB C[C@H]1C[C@@H](NC(=O)N2CCCN(C(=O)C3CC3)CC2)CC[C@H]1C 152942030 IIOJJNSUBMWQAM-YCPHGPKFSA-N 321.465 2.465 0 40 DEAB CS(=O)(=O)Nc1ccccc1-c1nc2ccccc2c(=O)o1 97473 RWGRZFIQGUSROZ-UHFFFAOYSA-N 316.338 2.227 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)CSc1nc(N)cc(N)n1 3605646 BYFALTNERZTGEJ-UHFFFAOYSA-N 323.809 2.334 0 40 DEAB COc1ccc(C(=O)N(C)C2CN(c3ccccn3)C2)cc1F 1888859941 YJYPHVWVNHVLKA-UHFFFAOYSA-N 315.348 2.190 0 40 DEAB CC(=O)NCCCc1ccc(C(=O)COC(=O)[C@@H]2C[C@H]2C)cc1 25439626 RIRUOMFZCKPQJG-MLGOLLRUSA-N 317.385 2.137 0 40 DEAB Cc1ccccc1CN(C)S(=O)(=O)c1ncn(C)c1Cl 27946182 RRKYTEYHXDDJLU-UHFFFAOYSA-N 313.810 2.203 0 40 DEAB Cc1cccc(CC(=O)NCc2nnnn2C2CCCCC2)c1 10594258 SQNOFHAKLVNZDY-UHFFFAOYSA-N 313.405 2.346 0 40 DEAB CC(C)(C)C(=O)N1C[C@@H](OCc2cccnc2)[C@H]2OCCC[C@@H]21 2055714596 KSAYVZWBFXREPD-XHSDSOJGSA-N 318.417 2.403 0 40 DEAB Cc1csc(C(=O)NCc2nc(-c3ccnc(O)c3)no2)c1 575615062 BMSJBVQRNIDFDS-UHFFFAOYSA-N 316.342 2.137 0 40 DEAB NC(=O)CCc1csc(NC(=O)c2ccc(Cl)cc2)n1 11835499 DDUQQSQWIIBZDK-UHFFFAOYSA-N 309.778 2.467 0 40 DEAB COc1cc(NC(=O)c2cccc(O)c2)c(C(=O)O)cc1OC 8981655 HJZFMYQOUXCRHT-UHFFFAOYSA-N 317.297 2.360 0 40 DEAB COc1cc(C(=O)NC(C2CC2)C2CC2)cc2c1OCCO2 30800711 ZYCQTKFGSHPWFK-UHFFFAOYSA-N 303.358 2.385 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)c1ccc2c(ccn2C)c1 40310330 OBJBJCLPABRVLJ-ZDUSSCGKSA-N 320.414 2.203 0 40 DEAB biogenic O=C(Nc1ccc(F)cc1)[C@H]1CC(=O)N(Cc2ccccn2)C1 31227153 LUMRJQUZAFJRLM-LBPRGKRZSA-N 313.332 2.208 0 40 DEAB CN(C(=O)Nc1ccc(-n2cnnn2)cc1)C1CCCCC1 40526636 QDLUXOVRJRIKGY-UHFFFAOYSA-N 300.366 2.459 0 40 DEAB Cc1c(C(=O)N[C@H]2CCCCNC2=O)oc2c(F)cccc12 40521818 HWFSHHASSSPOAJ-LBPRGKRZSA-N 304.321 2.279 0 40 DEAB CC(C)N(C[C@H]1C[C@H]2C=C[C@H]1C2)S(=O)(=O)c1cnn(C)c1 101069247 RFAQYCULRFSWQJ-MELADBBJSA-N 309.435 2.031 0 40 DEAB CC(C)[C@@]1(C)NC(=O)N(C[C@H](O)c2ccc(Cl)cc2)C1=O 51382086 AIVFLGKLWHWJDG-SWLSCSKDSA-N 310.781 2.340 0 40 DEAB O=C(COCc1nc2ccccc2s1)NC1=NCCS1 32740573 WDMHMJUKIKIKAI-UHFFFAOYSA-N 307.400 2.032 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 102599948 GKLQGBCMLNLWKC-WRFANHODSA-N 324.380 2.049 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1ccc(S(C)(=O)=O)cc1 22691480 HYPJBAQNXYVAPW-GFCCVEGCSA-N 321.398 2.434 0 40 DEAB CC(=O)N1CCN(Cc2nc(-c3cccs3)oc2C)CC1 22910482 CXIBCAAGNMTSIQ-UHFFFAOYSA-N 305.403 2.376 0 40 DEAB Cc1nc(CCNC(=O)c2cc(-c3ccco3)[nH]n2)cs1 23056242 VFIJLNNLFCYZMZ-UHFFFAOYSA-N 302.359 2.407 0 40 DEAB C[C@]12CCC(=O)N1[C@@H](C(=O)N1CCc3ccccc31)CS2 23680408 NHXAWQXILRCCMN-CJNGLKHVSA-N 302.399 2.030 0 40 DEAB Cc1c(C)n(C[C@H](O)CN2CCOCC2)c2ccc(F)cc12 12421999 TYMANHQCDNHPJC-OAHLLOKOSA-N 306.381 2.090 0 40 DEAB O=C(CSc1nc2ccccc2[nH]1)NC(=O)NC1CCCC1 12538139 LCKUOOKQEHZKQE-UHFFFAOYSA-N 318.402 2.423 0 40 DEAB CC1CCC(NC(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 12542995 NAFCYFZROUFKRP-HAGFKGRBSA-N 320.433 2.245 0 40 DEAB COc1ccc(CCNC(=O)CC2CCN(C)CC2)cc1OC 1581977 LVLMPDGEDWBYRM-UHFFFAOYSA-N 320.433 2.094 0 40 DEAB CCOC(=O)[C@@H]1C[C@](C(=O)OCC)(c2ccccc2)CCC1=O 1593314 YVGYXBBYJKQLKN-KDOFPFPSSA-N 318.369 2.420 0 40 DEAB C[C@H](Cc1ccc(O)cc1)N(C)Cc1cc(=O)n2ccccc2n1 79099678 VIFPYCKTENGHGM-CQSZACIVSA-N 323.396 2.463 0 40 DEAB CS[C@@H](C)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 79003057 IFFVPUYOBAJMHH-ZETCQYMHSA-N 307.824 2.434 0 40 DEAB C[C@H]1C[C@@H]1C(=O)NCC(=O)N[C@H](C)Cc1cccc(Cl)c1 106080912 MRHZOCXADOFOKZ-WDMOLILDSA-N 308.809 2.159 0 40 DEAB COc1ccc(NC(=O)CN2C[C@@H](C)OC[C@H]2C)cc1Cl 34892253 NCGYWUWPLQNRHX-GHMZBOCLSA-N 312.797 2.396 0 40 DEAB O=C(CCn1cncn1)Nc1nc2c(s1)CCCCCC2 56237310 JFBBRDXVKLBWFJ-UHFFFAOYSA-N 305.407 2.422 0 40 DEAB O=C(NCc1ccc2c(c1)OCCO2)c1cc(C2CC2)on1 25649223 RFAHXOZAPZSLCX-UHFFFAOYSA-N 300.314 2.253 0 40 DEAB Cc1nc(CN(C)[C@H]2CCN([C@H](C)c3cccnc3)C2)no1 108087055 XMEVWTMKYQGCME-DOMZBBRYSA-N 301.394 2.040 0 40 DEAB CC[C@H]1c2ccsc2CCN1C(=O)[C@@H]1CCN(C)C(=O)C1 44341493 WKCFILLWUZEJIX-YPMHNXCESA-N 306.431 2.452 0 40 DEAB O=C(CCNC(=O)c1ccccc1Cl)NCc1ccncc1 10052269 BOQJCGVHLNDVIE-UHFFFAOYSA-N 317.776 2.171 0 40 DEAB CC1(C)C(=O)Nc2ccc(S(=O)(=O)N[C@H]3C=CCCC3)cc21 84673984 GNAKDWNTHDUHEY-NSHDSACASA-N 320.414 2.303 0 40 DEAB Cc1cc(NC(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3)no1 44972146 HBDBGCPTAZEIBE-SECBINFHSA-N 300.318 2.360 0 40 DEAB Cc1nn(CC(=O)Nc2ccncc2)c(C)c1Br 27981815 KLHQKZOBBJZGEJ-UHFFFAOYSA-N 309.167 2.296 0 40 DEAB CCNC(=O)C(C)(C)CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F 84789443 UBMMZNQWMVAOMR-VXGBXAGGSA-N 324.371 2.347 0 40 DEAB COc1cccc(-n2ccnc2S[C@H](C)C(=O)N(C)C)c1 11202800 HICQOFZMLXAJOL-LLVKDONJSA-N 305.403 2.450 0 40 DEAB O=C(O)[C@H]1CCN(Cc2nc(-c3cccc(Cl)c3)no2)C1 62133824 YWLWPJQPASJZML-JTQLQIEISA-N 307.737 2.297 0 40 DEAB N#C[C@@H](C(=O)COc1ccccc1)c1nnc2n1CCCCC2 60320382 RRYVPLFOSHGRPP-AWEZNQCLSA-N 310.357 2.260 0 40 DEAB CCCCc1nc(C)c(C(=O)N2CCC(C(=O)NC)CC2)s1 46747197 HQGPRUSZTWNGKU-UHFFFAOYSA-N 323.462 2.392 0 40 DEAB CCC[C@@H](C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)O 95989878 GWOIQKWVDRODJS-OCCSQVGLSA-N 307.390 2.491 0 40 DEAB Cc1cccc(NC(=O)C[C@@H]2NC(=O)c3ccccc3N=C2O)n1 101414314 IWHVAOZUYLCYCP-ZDUSSCGKSA-N 324.340 2.119 0 40 DEAB COC(=O)Nc1ccc(CNC(=O)N2CCSCC2)cc1 46976656 IRHFJGAVYIROSS-UHFFFAOYSA-N 309.391 2.123 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)cc1Cl 100799145 HETYXXWAUBPXJN-RVMXOQNASA-N 309.749 2.465 0 40 DEAB O=Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1 3387009 STXWJSWWNHTGGU-UHFFFAOYSA-N 301.273 2.434 0 40 DEAB COc1ccccc1CCNC(=O)Nc1cccnc1OC 48303368 OCGRJFMXQCHDNZ-UHFFFAOYSA-N 301.346 2.463 0 40 DEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)OCCOc1cc(C)ccc1C 3418343 DQHYTJDEKNNIJN-WFASDCNBSA-N 322.405 2.308 0 40 DEAB CCN1CCC[C@@H]1CNCC(=O)N[C@]1(C)[C@@H]2CC[C@@H](C2)C1(C)C 22587074 IPBIEUUILOVODC-WFXMFSGNSA-N 321.509 2.391 0 40 DEAB CN1CCN(NC(=O)C2c3ccccc3Oc3ccccc32)CC1 4395660 WRIOFEFYNKVYKE-UHFFFAOYSA-N 323.396 2.203 0 40 DEAB COCCCN(C)C(=O)c1ccc(-c2cccc(C)c2)[nH]c1=O 65463917 SNXKBZQTOYDPBW-UHFFFAOYSA-N 314.385 2.459 0 40 DEAB O=C(NC1CCCC1)[C@H]1CCCN1C(=O)OCC(F)(F)F 65626652 GDDAQUIWQPYWJH-SNVBAGLBSA-N 308.300 2.209 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCN1CCN(Cc2nccn2C)CC1 65623871 ZWTRVTTVPPGWDK-SJORKVTESA-N 320.481 2.133 0 40 DEAB Cn1ncc2c(NCc3cnn(-c4ccccc4)c3)ncnc21 14315138 YJWFOJIFGDSABW-UHFFFAOYSA-N 305.345 2.161 0 40 DEAB Cc1ccc2c(c1)C(=O)C(=O)N2C[C@@H]1COc2ccccc2O1 6661476 RRMJKCUNUBXHLO-GFCCVEGCSA-N 309.321 2.364 0 40 DEAB O=C(/C=C/c1ccc(Cl)cc1Cl)NN1CCOCC1 5670610 PBRJTLRMSYSLFM-DUXPYHPUSA-N 301.173 2.370 0 40 DEAB Nc1nccnc1C(=O)OCc1nc2ccccc2n1C(F)F 14901944 UTSDUVZIPSBPJS-UHFFFAOYSA-N 319.271 2.161 0 40 DEAB C[C@H](Sc1nnc([C@@H](C)Oc2ccccc2F)o1)C(N)=O 4938037 VDDXMMFNBIOYBJ-SFYZADRCSA-N 311.338 2.315 0 40 DEAB CC(=O)N(CCc1ccccc1)CC(=O)N[C@@H]1CCCSC1 90424334 OSDVPKDQCPPAEQ-MRXNPFEDSA-N 320.458 2.089 0 40 DEAB COC(=O)c1nnc2c(-c3ccc(OC)cc3)c(C)nn2c1C 9484092 UOHROCSYYQVLOX-UHFFFAOYSA-N 312.329 2.203 0 40 DEAB Cc1nc2ncnn2c(N2CC[C@H]3CC[C@@H](C2)N3C(C)C)c1C 80707205 GATJCSIZWPEEHT-CABCVRRESA-N 314.437 2.193 0 40 DEAB CC(C)CCOc1cccc(NC(=O)[C@H](C)S(C)(=O)=O)c1 68298110 IERQUXQHVYJDMU-LBPRGKRZSA-N 313.419 2.483 0 40 DEAB CCN1CCN([C@H](C)CNc2c(F)c(F)nc(F)c2F)CC1 80931704 BTKOSPRINMWIQO-SECBINFHSA-N 320.334 2.076 0 40 DEAB COc1ccccc1NC(=O)c1ccc(CS(C)(=O)=O)cc1 8395064 DAGTYBVYUNDTMV-UHFFFAOYSA-N 319.382 2.492 0 40 DEAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2F)C1 70173449 LHOCAUSNPDVUIH-VHSXEESVSA-N 320.817 2.227 0 40 DEAB COCCOCCNC(=O)c1cc(-c2cccc(Cl)c2)no1 69451760 GZXHMDFEPOYALU-UHFFFAOYSA-N 324.764 2.388 0 40 DEAB O=C(CCOc1ccccc1F)N1CCC[C@H]1Cn1cccn1 71866184 OSIXDDPFCHITGT-AWEZNQCLSA-N 317.364 2.482 0 40 DEAB C[C@H](CC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O)C1CC1 71841483 MKIDKXRTYYNXBB-RISCZKNCSA-N 306.381 2.022 0 40 DEAB O=C(COc1ccc(F)cc1F)NC[C@@H](O)Cc1ccccc1 71856885 OOYDTNZYCGFIEJ-AWEZNQCLSA-N 321.323 2.063 0 40 DEAB Cc1ccc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)c(C)n1 71857441 FJAQVMQTVVVQGF-KRWDZBQOSA-N 321.384 2.461 0 40 DEAB C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2CN2CCCCC2)C1 69608071 PKKFJROJLJLBCQ-DLBZAZTESA-N 307.482 2.195 0 40 DEAB Cc1cc(C[S@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)no1 71859241 BPKKAWNDXDPGOW-LAJNKCICSA-N 306.387 2.283 0 40 DEAB COc1ccc(F)cc1CNCC1CCN(C[C@@H](C)O)CC1 69876612 RKRXOPZDVWFBFD-CYBMUJFWSA-N 310.413 2.017 0 40 DEAB CN1CCO[C@@H](CNCc2nc(-c3ccccc3)cs2)C1 69894981 SOEYFVKYEOCENX-AWEZNQCLSA-N 303.431 2.230 0 40 DEAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@H]1Cn1cccn1 69948497 QMNVARNLFGKZRL-CVEARBPZSA-N 311.385 2.125 0 40 DEAB CCCN(CC(F)F)C(=O)CNC(=O)c1cc(F)cc(F)c1 71904793 FFRBYVMLLKVXFB-UHFFFAOYSA-N 320.286 2.198 0 40 DEAB CCOC[C@@H](O)CN1CCC(CN2CCc3ccccc32)CC1 71904906 AMWSAFPZKTWPLU-SFHVURJKSA-N 318.461 2.159 0 40 DEAB CNC[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 71144915 RMCIABKSKVRNFY-VIFPVBQESA-N 323.245 2.223 0 40 DEAB CCc1nn(C)c(CC)c1CN[C@@H](C)C(=O)N1CCCCC1 97034849 JFXGMBRAXPKQEI-ZDUSSCGKSA-N 306.454 2.036 0 40 DEAB COc1nc(C)ccc1CNC(=O)NCCc1cccc(O)c1 72274307 NNCQZDJQRPHYTR-UHFFFAOYSA-N 315.373 2.146 0 40 DEAB COC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CC(C)C)c1C 95980939 JVUVDYXCHGJMFN-HIFRSBDPSA-N 321.421 2.309 0 40 DEAB COc1ccccc1[C@@H](NCc1c[nH]nc1C)c1nccn1C 97159326 MKPSKBMOIDNFDL-MRXNPFEDSA-N 311.389 2.339 0 40 DEAB CCN(CC)CCCN1CCCN(c2nc(C)ns2)CC1 97105645 WBZPRCCLXUFKPQ-UHFFFAOYSA-N 311.499 2.091 0 40 DEAB Cc1ccc(CN[C@H]2CCN(S(=O)(=O)C(C)C)C[C@@H]2C)o1 72300615 IGDYIUBEGYDQHR-WFASDCNBSA-N 314.451 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2.340 0 40 DEAB COCc1noc(-c2ccc(NC[C@@H]3CCCCO3)nc2)n1 39461514 SVSFGLFWQFOWKX-LBPRGKRZSA-N 304.350 2.259 0 40 DEAB Cc1cc(C)nc([C@H]2CCN(C(=O)CN3CCCCCC3)C2)n1 72369672 XGSDCIFKZPVZOL-INIZCTEOSA-N 316.449 2.285 0 40 DEAB FCCCNCc1cn(-c2ccccc2Br)nn1 568569729 AOIODJDJWUVFJL-UHFFFAOYSA-N 313.174 2.479 0 40 DEAB CC[C@@H](C)n1ncc(I)c1C(=O)OC 72339402 KURIBWJISRHETH-ZCFIWIBFSA-N 308.119 2.245 0 40 DEAB O=c1c2cnc(N3CCCC3)nc2ccn1-c1ccccc1O 40175422 JHJRCJKUQXZRMT-UHFFFAOYSA-N 308.341 2.087 0 40 DEAB CCN(C(=O)C(F)(F)F)c1ccc(N2CCOCC2)cc1 226284789 WGIZGJHGXLPBNW-UHFFFAOYSA-N 302.296 2.438 0 40 DEAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nn(CC)c1=O 225964495 BHFLAMYNBWPNMG-UHFFFAOYSA-N 302.330 2.116 0 40 DEAB Cc1cccc(CCC(=O)N2CC[C@H](Oc3cccnn3)C2)c1 225416181 MKONEQTZPKMHCQ-INIZCTEOSA-N 311.385 2.398 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1(CC)CC 96454641 VGPHWKKGOGRYKY-KGLIPLIRSA-N 306.406 2.397 0 40 DEAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1ccc(F)c(F)c1)C2 96218232 OTXUGHFFAHLNTM-SUMWQHHRSA-N 324.371 2.005 0 40 DEAB CC(=O)c1ccc(F)cc1NCC(=O)N1C[C@H](C)O[C@@H](C)C1 97371501 DAIOOOQRRNJUOH-QWRGUYRKSA-N 308.353 2.076 0 40 DEAB CS[C@H]1CCCC[C@@H]1NC(=O)CCCCCNC(C)=O 96416549 HBNAOCRYACHPLU-KBPBESRZSA-N 300.468 2.473 0 40 DEAB Cc1cncc(C(=O)N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC2)c1 96186287 INMYBZMYYAONAL-HOTGVXAUSA-N 313.401 2.006 0 40 DEAB CN(C)C(=O)c1cccc(C[S@@](=O)C[C@H]2CCCCO2)c1 96452472 RXWDGVRHZCMUOQ-VFNWGFHPSA-N 309.431 2.206 0 40 DEAB CC(=O)N1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695146 QFHSCEGZCRLYRB-UHFFFAOYSA-N 321.730 2.418 0 40 DEAB Cc1cc(CS(=O)(=O)Cc2cn3c(C)cccc3n2)on1 96404565 FLCBTGCJSRXFQY-UHFFFAOYSA-N 305.359 2.054 0 40 DEAB CN(C)c1cccc([C@H]2CN(Cc3cscn3)CCO2)n1 257253062 JXKWTWWYEGSAGQ-CQSZACIVSA-N 304.419 2.178 0 40 DEAB CCc1cc2nncn2c(SCCO[C@@H]2CCCCO2)n1 281365742 AJGRHUFTXCNEBG-CYBMUJFWSA-N 308.407 2.322 0 40 DEAB CC[C@]1(C)COCCN1C(=O)c1ccc(OCCOC)cc1 390834075 RGXGDFHJKUESCE-QGZVFWFLSA-N 307.390 2.353 0 40 DEAB Cc1cc([C@H](C)NC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)o1 390833367 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O=C(NCc1cn(-c2ccsc2)nn1)NC1CCCCC1 575618424 MZKQQGPDFCNBLD-UHFFFAOYSA-N 305.407 2.461 0 40 DEAB Cc1cc(NC(=O)CCSc2nnc(C3CC3)n2C)no1 40465625 LMNUVITVTQNOLJ-UHFFFAOYSA-N 307.379 2.110 0 40 DEAB CNC(=O)Cc1ccc(N[C@@H](C)C(=O)Nc2ccccc2)cc1 40497382 UBLINEKGQJELBB-ZDUSSCGKSA-N 311.385 2.414 0 40 DEAB COc1cc(/C=C2/NC(=S)NC2=O)ccc1OCCC(C)C 184428 PVVAIOTUYUTLHA-XYOKQWHBSA-N 320.414 2.465 0 40 DEAB C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102271901 AZFZRKICJZVBHC-LMRQPLJMSA-N 311.389 2.217 0 40 DEAB C[C@@H](OC(=O)c1ccco1)C(=O)N[C@H]1CCOc2ccccc21 22497343 XUULWVKWVHRFAY-YPMHNXCESA-N 315.325 2.465 0 40 DEAB COCCn1cc(C(=O)/N=c2/sccn2C)c2ccccc21 103969483 HOOZQYXHQJDUOB-WUKNDPDISA-N 315.398 2.429 0 40 DEAB CCOC(=O)c1cc(CNCCc2nc3ccccc3[nH]2)on1 12410837 VODLVLDCCSJPQV-UHFFFAOYSA-N 314.345 2.060 0 40 DEAB Ic1ccc(OC[C@@H]2CCNC2)cc1 42772989 CMWZJTZJGLOXNZ-SECBINFHSA-N 303.143 2.280 0 40 DEAB CO[C@H](C)C(=O)Nc1cc(C)c(NC(=O)[C@@H](C)OC)cc1C 77568465 WVYMXEQAFJSZLK-VXGBXAGGSA-N 308.378 2.250 0 40 DEAB O=C(NCCc1ccccn1)c1c[nH]c2ccc(F)cc2c1=O 79488139 XVKNUGAIZWVGDQ-UHFFFAOYSA-N 311.316 2.035 0 40 DEAB Cc1cc(=O)oc2cc(NC(=O)[C@@H](N)COC(C)(C)C)ccc12 2560771 UKLAVLVZOVOZEF-ZDUSSCGKSA-N 318.373 2.182 0 40 DEAB COc1cc(CCNC(=O)N[C@@H]2CCCC[C@H]2CO)ccc1F 95460437 FSTGQUKXPLMJHZ-DZGCQCFKSA-N 324.396 2.227 0 40 DEAB Cn1cc(C(=O)OCC(=O)c2ccccc2Br)cn1 25118515 OBSZQNUDIQCGLS-UHFFFAOYSA-N 323.146 2.222 0 40 DEAB O=C(O)c1cc(S(=O)(=O)NCCc2ccccc2)ccc1F 4641816 MJPIXCDQKJPLDW-UHFFFAOYSA-N 323.345 2.045 0 40 DEAB N#[N+]c1c(O)n(-c2ccccc2)c(=O)n(-c2ccccc2)c1=O 6535748 RKYMKJNKXQCFSU-UHFFFAOYSA-O 307.289 2.179 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 1764071 ZFURNLHIJVEJAT-PKIAMQTDSA-N 314.341 2.106 0 40 DEAB Cc1cc(C)nc(NC(=S)NC(=O)c2cccc(F)c2)n1 9140209 HRRFDVMSBLZIHY-UHFFFAOYSA-N 304.350 2.359 0 40 DEAB C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 9232318 GWCUYAOIJGAIRF-LLVKDONJSA-N 312.325 2.231 0 40 DEAB CCn1nnnc1SCc1ccn(-c2cccc(F)c2)n1 58173972 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322.424 2.018 0 40 DEAB CC(C)(C)N1CCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)CC1 71818514 KHJNSMPXXILXNS-AWEZNQCLSA-N 315.417 2.055 0 40 DEAB O[C@@H](CNCc1cnc(N2CCCC2)nc1)c1cccc(F)c1 71832873 KDOSLGXSMSXTNB-INIZCTEOSA-N 316.380 2.039 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 71849453 PQJFCZLNFCAKRI-HZSPNIEDSA-N 302.422 2.367 0 40 DEAB CC(C)n1nnnc1S[C@@H](C)C(=O)N(C)c1ccccc1 16453096 SKSOZKRHMJWIBZ-NSHDSACASA-N 305.407 2.398 0 40 DEAB CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(F)c(F)c1 69321597 OCGODNLBOZDZNN-ZDUSSCGKSA-N 312.360 2.148 0 40 DEAB CCCc1cc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)[nH]n1 69443116 ILAMGZWXBPLEAS-AWEZNQCLSA-N 301.394 2.344 0 40 DEAB CC(C)Oc1ccc(C(=O)NCC(=O)Nc2ccncc2)cc1 17585748 HHDIUKGCOBTANF-UHFFFAOYSA-N 313.357 2.237 0 40 DEAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)NC1CC1 8515014 AOUVULSBIQVTBL-UHFFFAOYSA-N 322.364 2.495 0 40 DEAB COc1ccccc1CCN(C)Cc1cc(=O)n2ccccc2n1 69773503 TZBPJFPMCKOMEJ-UHFFFAOYSA-N 323.396 2.378 0 40 DEAB COc1ccc(OCCC(=O)N2CCC[C@H](N(C)C)C2)cc1 69917479 QCPUTLHYLBUEIN-AWEZNQCLSA-N 306.406 2.017 0 40 DEAB C[C@@](O)(CNCCn1cccn1)c1cccc(C(F)(F)F)c1 69901715 UHIWMWSBANXGHY-CQSZACIVSA-N 313.323 2.399 0 40 DEAB CCCCNS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71195991 JFRNBIIRBSDFTL-UHFFFAOYSA-N 310.419 2.303 0 40 DEAB CCc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)O)o1 97036391 NPNGYTUYSLQLTK-CYBMUJFWSA-N 305.305 2.407 0 40 DEAB CNc1ncc(C(=O)NC[C@@]2(O)CCCc3ccccc32)s1 97031902 VXZKQEYHERJBNF-INIZCTEOSA-N 317.414 2.139 0 40 DEAB Cc1cc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C)s1 72268953 QKDFSZLTQVIQIB-GJZGRUSLSA-N 308.447 2.036 0 40 DEAB CC(C)c1csc([C@H]2CCCN(C(=O)Cn3cncn3)C2)n1 72297240 UBIBLXOKBYOHDQ-LBPRGKRZSA-N 319.434 2.264 0 40 DEAB CC[C@@H](NC(=O)NC[C@H](O)c1cnn(C)c1)c1ccc(C)cc1 73496819 PJEWLJDEHSKDBM-CVEARBPZSA-N 316.405 2.212 0 40 DEAB CC[C@@H]1CN(C)c2ccccc2CN1CCS(=O)(=O)CC 88562281 XYRMMFYZPTUNFR-OAHLLOKOSA-N 310.463 2.152 0 40 DEAB COCc1cc(CN2CC[C@]3(CCCNC3)C2)ccc1OC 67673973 HMPZOYMKRKOKBB-SFHVURJKSA-N 304.434 2.417 0 40 DEAB CCOC(=O)c1csc(N(C(=O)c2ccn(C)c2)C2CC2)n1 95991095 JPEVOGQHDVENFV-UHFFFAOYSA-N 319.386 2.468 0 40 DEAB Cn1cc(N2CCC[C@H](SCC3CCOCC3)C2=O)cn1 95962203 AYTWUUUECNASNK-AWEZNQCLSA-N 309.435 2.075 0 40 DEAB CC(C)C[C@H](C)n1nccc1NC(=O)NCCC(=O)N(C)C 95942251 JTQGUGBZKUFNNH-LBPRGKRZSA-N 309.414 2.090 0 40 DEAB Cc1nn(C)cc1C(=O)N[C@H](Cc1ccccc1)Cc1c[nH]cn1 89544309 CFYBTJVEVBAKFT-OAHLLOKOSA-N 323.400 2.035 0 40 DEAB CC(C)CCNC(=O)[C@H]1CSCN1C(=O)CC(F)(F)F 89821155 YTKLZVIKLNXIGJ-SECBINFHSA-N 312.357 2.003 0 40 DEAB COC(=O)[C@@]1(C)CCN(C(=O)NC[C@H](C)c2ccsc2)C1 89900796 ZTJBEBWBQAOMSO-NHYWBVRUSA-N 310.419 2.446 0 40 DEAB Cc1nc(NC(=O)CSc2ncnc3[nH]cnc23)sc1C 524735556 JPEYEKUCUCZKBP-UHFFFAOYSA-N 320.403 2.157 0 40 DEAB CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)c1c[nH]nn1 79001983 NDDQNMFIYXGWIJ-CYBMUJFWSA-N 306.341 2.167 0 40 DEAB CCOC(=O)C[C@@H](c1ccccc1)c1c(O)cc(C)[nH]c1=O 72326164 AYIUBQVKFCGSDQ-ZDUSSCGKSA-N 301.342 2.474 0 40 DEAB biogenic Cc1cc(C(=O)NCc2cnccn2)nn1-c1ccc(F)cc1 1540211577 YKURLEURHOZCIG-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB CCOC(=O)c1cn(Cc2ccccn2)c2nc(C)ccc2c1=O 73968052 ONHZQVUMRHDDTC-UHFFFAOYSA-N 323.352 2.325 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@](O)(c1ccccc1)C1CC1 217577565 LPAORTVVUDBEJX-SFHVURJKSA-N 314.385 2.248 0 40 DEAB Cc1cc(NC[C@H]2CCCO2)n2nc(-c3nccn3C)cc2n1 72338482 VEGIQQMNCWHFLO-GFCCVEGCSA-N 312.377 2.029 0 40 DEAB O=C(O)[C@H](c1ccccc1)n1c(S)nc2ccccc2c1=O 675008353 UDJVTSQFYDZTNS-ZDUSSCGKSA-N 312.350 2.359 0 40 DEAB Cc1cc(N(C)Cc2ccc(N)nc2)nc(-c2ccncc2)n1 127108785 POUJNFZYVLKZIU-UHFFFAOYSA-N 306.373 2.461 0 40 DEAB O=C(NCCn1cc(Br)cn1)c1ccc(F)cc1 28243163 VIUQEWMGJVEPOE-UHFFFAOYSA-N 312.142 2.215 0 40 DEAB COC(=O)c1ccc(CN(C)C[C@H]2COc3ccccc3O2)o1 32666682 PTYYOUOJZMTGOG-ZDUSSCGKSA-N 317.341 2.338 0 40 DEAB CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 72398675 DCMBBEFOBUEBOA-QEWYBTABSA-N 315.417 2.153 0 40 DEAB Cc1cccc([C@@H](CC(=O)Nc2ncc(C)s2)NC(N)=O)c1 32796468 OHVNSILEWWQTCY-GFCCVEGCSA-N 318.402 2.498 0 40 DEAB CC(=O)c1cccc(NC(=O)[C@@H]2NCCc3ccccc32)c1O 1575040960 KGHPGFKJHISSAE-MRXNPFEDSA-N 310.353 2.420 0 40 DEAB CC(C)Cc1ncc(CNC(=O)NC[C@@H]2CC[C@H](O)C2)s1 195578459 FFVKWPUQQXRSJK-NEPJUHHUSA-N 311.451 2.302 0 40 DEAB CC[C@@]1(C)CN(C(=O)Nc2ccc([S@](C)=O)cc2)CCO1 190016129 UKLYVSBGGZKDCB-BTYIYWSLSA-N 310.419 2.457 0 40 DEAB CN(C)C1(CNC(=O)CCc2nc3ccccc3[nH]2)CCCC1 41670994 IRILLTJQTFBSHW-UHFFFAOYSA-N 314.433 2.486 0 40 DEAB Nc1nn(-c2ccc(Br)cc2)nc1Br 89262254 VJOVQMHMXSCUED-UHFFFAOYSA-N 317.972 2.375 0 40 DEAB c1ccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)nc1 96158247 BWBWHHHLUAEFKC-GOSISDBHSA-N 309.417 2.364 0 40 DEAB Cc1noc([C@@H]2CCCN(c3ccccc3S(C)(=O)=O)C2)n1 91455125 YMKFSOHSLAYDFP-GFCCVEGCSA-N 321.402 2.166 0 40 DEAB COc1cccc(-c2cc(NC(=O)[C@H]3OCC[C@H]3C)n(C)n2)c1 95447513 ZYMGEYGRJXCRGR-BZNIZROVSA-N 315.373 2.459 0 40 DEAB C[C@@H](C(=O)N1CCCCC1)N1CCN(C[C@@H]2CC=CCC2)CC1 93086827 XOZGKDPZLOTTPA-ZWKOTPCHSA-N 319.493 2.361 0 40 DEAB COCCN1CC[C@]2(COCCN(Cc3ccc(C)s3)C2)C1 96062302 UMWKBIWGWCILQO-KRWDZBQOSA-N 324.490 2.227 0 40 DEAB C[C@@H](CNS(=O)(=O)c1cccnc1)c1nc2ccccc2o1 96446701 ABJVBFDVBNHXLT-NSHDSACASA-N 317.370 2.305 0 40 DEAB CCN1C(=O)C[C@@H](C(=O)NCC2CC2)[C@@H]1c1ccccc1C 257298328 RLFWGKMMNOTSFQ-WBVHZDCISA-N 300.402 2.431 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCO[C@H](c2ccncc2)C1 257203907 ASDRFMZUKLBYSA-INIZCTEOSA-N 312.325 2.024 0 40 DEAB O=C1OC2(CCOCC2)CN1c1cccc([C@H]2CCCNC2)n1 257222586 DTXCUFATKMNNCF-ZDUSSCGKSA-N 317.389 2.054 0 40 DEAB Cn1nccc1CCC(=O)N1CCC[C@@H]1CCc1ccncc1 257229521 FYKHQLCFIZCQJI-QGZVFWFLSA-N 312.417 2.372 0 40 DEAB O=C(C1=Cc2ccccc2OC1)N1CCO[C@@H](c2ccncc2)C1 257262734 LMPPCGOMABATDH-GOSISDBHSA-N 322.364 2.458 0 40 DEAB CCN1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253478269 KDXHXIQYXJAXSM-DWRORGKVSA-N 324.509 2.216 0 40 DEAB Cc1cnc(N2Cc3ccnn3C[C@H](COCC3CC3)C2)nc1 253600802 ZGWAQUOFPANGDY-OAHLLOKOSA-N 313.405 2.045 0 40 DEAB CCc1cc(C(=O)N2CCC[C@H]2c2cncc(NC)n2)on1 257269884 MRUQTAACXUAJGI-LBPRGKRZSA-N 301.350 2.046 0 40 DEAB O=C(c1cccnc1)N1CCO[C@H](Cc2cccc(F)c2)C1 257327352 XBALZRQCIZMLQA-MRXNPFEDSA-N 300.333 2.304 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCNC[C@H]1c1ccccc1 257332869 XZCNPOZRTXZXRO-KRWDZBQOSA-N 312.417 2.132 0 40 DEAB CC(C)n1ncnc1CNC(=O)[C@H]1CCOc2ccccc21 280789459 OUIBQIDSCAYIMR-ZDUSSCGKSA-N 300.362 2.042 0 40 DEAB COc1ccc([C@@H](NCc2ncnn2C)C(F)(F)F)cc1F 390833266 FJJVULKOHFGTQK-GFCCVEGCSA-N 318.274 2.356 0 40 DEAB O=C(NCC1(N2CCOCC2)CCC1)c1ccc(Cl)s1 1776009454 MXQBZTAMKJORHF-UHFFFAOYSA-N 314.838 2.386 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cnc21 53382054 OCDXPVSOZYOCPS-LSDHHAIUSA-N 314.389 2.406 0 40 DEAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)CC1(O)CCCCC1 73763747 HTUVKSFNYQFTJQ-HNNXBMFYSA-N 303.406 2.364 0 40 DEAB Cc1ccc(C)c(CC(=O)NCCn2c(=O)[nH]c3ccccc32)c1 75105528 SEPCGFJDVJZJKQ-UHFFFAOYSA-N 323.396 2.305 0 40 DEAB C[C@H]1CN(C(=O)Nc2cnn(CC(F)(F)F)c2)CC(C)(C)O1 77716699 DLOLHJHMFRDTSP-VIFPVBQESA-N 320.315 2.477 0 40 DEAB Nc1c(Br)ccc(I)c1O 98211111 AAUUKPYCSVWFRP-UHFFFAOYSA-N 313.920 2.342 0 40 DEAB O=S(=O)(NCc1cccc(Cl)c1)Oc1ccccc1O 5772044 XQVXMBLBEMMAPK-UHFFFAOYSA-N 313.762 2.459 0 40 DEAB O=C(NCCS(=O)(=O)O)Nc1ccc(Cl)c(Cl)c1 5890558 ULVSKDSMKBWTIN-UHFFFAOYSA-N 313.162 2.003 0 40 DEAB Cc1cccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)c1 169619912 IVAWDFYOOSCURA-FFRIZKCHSA-N 308.381 2.418 0 40 DEAB O=C(c1cc(C2CC2)on1)N1CCC[C@@H](Oc2cnccn2)C1 225472005 VUGUAMURUFGMIO-GFCCVEGCSA-N 314.345 2.026 0 40 DEAB Cc1nc(O)c2c(n1)CN(CC1=Cc3ccccc3OC1)CC2 19576562 BPZFAKGLKSPFCJ-UHFFFAOYSA-N 309.369 2.325 0 40 DEAB CNC(=O)CC1CCN(Cc2c(Cl)cccc2C(=O)O)CC1 573498945 OVMXBBVNTATJOA-UHFFFAOYSA-N 324.808 2.386 0 40 DEAB CCOC(=O)c1cnn(-c2c(F)c(F)c(F)c(F)c2F)c1N 3345114 QWOCYRYEIPLYLR-UHFFFAOYSA-N 321.205 2.327 0 40 DEAB Cc1nn(C)c(C)c1CC(=O)NCc1cnn(-c2ccccc2)c1 22198542 KKJLBLZRLJTRGL-UHFFFAOYSA-N 323.400 2.082 0 40 DEAB COc1ccc(CC(=O)NC[C@H]2COC3(CCCCC3)O2)cc1 4941148 WERAXTFWNVXEPC-INIZCTEOSA-N 319.401 2.430 0 40 DEAB COc1ccccc1C(=O)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924540 ZECVQLYZXGQIGH-AWEZNQCLSA-N 324.380 2.478 0 40 DEAB CCOc1ccc(CN[C@@H](C(N)=O)c2ccccc2)cc1OC 30514885 BJNHORQKXVXTTE-QGZVFWFLSA-N 314.385 2.410 0 40 DEAB CCCn1nnnc1COc1ccc(-c2noc(C)n2)cc1 40488114 DOYLYNYINYLVQP-UHFFFAOYSA-N 300.322 2.021 0 40 DEAB COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1OC(C)C 195021 APXQPHIYQDQHHK-CQSZACIVSA-N 304.346 2.275 0 40 DEAB CON(C)S(=O)(=O)c1ccc(NC(=O)CC(C)(C)C)cc1 32741057 SQRNFJZWXKFURO-UHFFFAOYSA-N 314.407 2.243 0 40 DEAB COC(=O)C[C@@H](NC(=O)NCC(F)(F)F)c1ccccc1 32809227 SSRRKLVRCYSJLS-SNVBAGLBSA-N 304.268 2.152 0 40 DEAB CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)NC(=O)N1 494425 QEFYXVNUAJAAAA-CQSZACIVSA-N 304.346 2.219 0 40 DEAB COc1ccc(CNC(=O)c2c(C)cc(=O)oc2C)cc1OC 506807 VWXXHRSHDCTAIA-UHFFFAOYSA-N 317.341 2.204 0 40 DEAB OCCN1CCN(Cc2ncc(-c3ccc(Cl)cc3)o2)CC1 22944985 KBNVCTUMVZYTHC-UHFFFAOYSA-N 321.808 2.105 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)n1C 23951095 KALPSTNJQAPHBL-CYBMUJFWSA-N 309.373 2.405 0 40 DEAB COc1ccc([C@H](O)CNCc2cccc3c2OCO3)cc1 47700411 RVLFQKIPXWHNKZ-OAHLLOKOSA-N 301.342 2.247 0 40 DEAB O=C(CCC(=O)N1CC[C@](O)(C(F)(F)F)C1)c1ccccc1 77989693 QJSNXNFXSJGELC-CQSZACIVSA-N 315.291 2.175 0 40 DEAB NC[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 61884057 XNOMNOLMVNIDFN-GXSJLCMTSA-N 322.352 2.111 0 40 DEAB O=C(NCCc1ccccc1)[C@@H]1CCN1C(=O)c1ccccc1 97134412 OFYNCQYPNPSAJM-KRWDZBQOSA-N 308.381 2.260 0 40 DEAB CC(=O)c1cc2c(cc1NC(=O)CN1CCCCCC1)OCO2 1338344 IZUYQGKKWVQUST-UHFFFAOYSA-N 318.373 2.432 0 40 DEAB C[C@H](c1ccc(Cl)cc1)[C@@H](C)N(C)CCC(=O)NC(N)=O 78988397 OZBPLIUIDPOLDW-WDEREUQCSA-N 311.813 2.349 0 40 DEAB CCCc1n[nH]c([C@@H]2CN([C@@H](C)c3cccnc3)CCO2)n1 84759007 IWOHUXUZAKDFIO-JSGCOSHPSA-N 301.394 2.287 0 40 DEAB CCn1cc(Cl)c(C(=O)N(C)Cc2c(C)nn(C)c2C)n1 2777945 HEUNYSWNDMTRQM-UHFFFAOYSA-N 309.801 2.179 0 40 DEAB COc1ccc2c(c1)CC[C@H]1C2=CC[C@H](C(=O)O)[C@@H]1C(=O)O 4776201 KKHOCXPWZHHXOR-SOUVJXGZSA-N 302.326 2.446 0 40 DEAB COC(=O)c1ccc(CCNC(=O)CCc2ccco2)cc1 25079040 NSBDGSVEKXODHS-UHFFFAOYSA-N 301.342 2.358 0 40 DEAB CCN1CC[C@H](N(C)C(=O)NCCN2CCCC[C@@H]2C)C[C@@H]1C 72305960 HNCSSJKAPOIAQS-ULQDDVLXSA-N 324.513 2.375 0 40 DEAB C[C@@H](NC(=O)CN1CCN(C)C[C@H]1C)c1ccccc1Cl 107580759 JVVYYUJEHGHBQW-CHWSQXEVSA-N 309.841 2.153 0 40 DEAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCCCN2CCCC2=O)o1 57787004 LETITNNPCSEKLF-HIFRSBDPSA-N 318.417 2.464 0 40 DEAB COCc1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 44548947 KLJPJGMDRIIEOQ-CJNGLKHVSA-N 320.414 2.226 0 40 DEAB Cc1cc(NS(=O)(=O)N2CCC[C@H](C)C2)ccc1C(=O)O 44750148 KBEZQEMGKRALBC-JTQLQIEISA-N 312.391 2.082 0 40 DEAB O=C(NCc1ccnc(N2CCCCC2)c1)N1CCSCC1 44967653 GECHLLHSXROSMT-UHFFFAOYSA-N 320.462 2.330 0 40 DEAB COc1ccc2cccc(CC(=O)NCc3nccc(N)n3)c2c1 95436794 WJQZJTJPJMMRTN-UHFFFAOYSA-N 322.368 2.080 0 40 DEAB Cc1nc(CN2CC[C@]3(C[C@H]3C(=O)N3CCCC3)C2)cs1 107789581 YJEKJLHXTQSYJO-HOCLYGCPSA-N 305.447 2.286 0 40 DEAB O=C(OCC(=O)N1CCCC1)c1ccc(C(F)(F)F)cc1 72330045 CPMQAOWGJQENQT-UHFFFAOYSA-N 301.264 2.485 0 40 DEAB CC(=O)c1cccc(OCCCC(=O)NC[C@H](C)N(C)C)c1 58796143 JDSVJQHXAFOLRN-ZDUSSCGKSA-N 306.406 2.115 0 40 DEAB CCN(C(=O)CN1CSCC1=O)[C@H](C)c1cccc(OC)c1 58713068 HHJZHSPLHAVGDH-GFCCVEGCSA-N 322.430 2.138 0 40 DEAB O=C(CSc1ccncc1)NCC(=O)OCc1ccccc1 28700983 GEPNDFVXASKOKY-UHFFFAOYSA-N 316.382 2.033 0 40 DEAB COC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(N)s1 3200057 CDPOCUUDIDFHLG-UHFFFAOYSA-N 323.214 2.429 0 40 DEAB CCCCNC(=O)C1CCN(Cc2nnsc2Cl)CC1 29927994 HLWSUVOEJQRQDX-UHFFFAOYSA-N 316.858 2.320 0 40 DEAB OCCCSc1nnnn1-c1ccc(OC(F)(F)F)cc1 60731887 DEJRQQIIARIQFU-UHFFFAOYSA-N 320.296 2.035 0 40 DEAB CCOc1ccc(NC(=O)c2cn3nc(C)nc3nc2C)cc1 20798952 CPADUQHSYONQOU-UHFFFAOYSA-N 311.345 2.392 0 40 DEAB C[C@H]1[C@@H](C)SCCN1C(=O)N[C@H](C)COCC(F)(F)F 110601890 IXJHMCNIBJYQEY-KXUCPTDWSA-N 314.373 2.489 0 40 DEAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cc(C)no2)C1=O 12776194 YYVPENNECWTBDZ-MRXNPFEDSA-N 317.320 2.479 0 40 DEAB Cc1ccc(SC[C@H](O)CCC(=O)N2CCOCC2)cc1 65090605 WNLMVLBBZIPQCP-CQSZACIVSA-N 309.431 2.087 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc2c(c1)OCO2 3436850 FXCRQLKMXCWRBQ-AAEUAGOBSA-N 319.357 2.267 0 40 DEAB COc1ccc(C(=O)N[C@H]2CCCc3cn(C(C)C)nc32)nn1 96002849 QXAFZJSMTXFLHY-LBPRGKRZSA-N 315.377 2.070 0 40 DEAB CC(C)N(CCN(C)C)C(=O)Nc1ccc(-n2ccnn2)cc1 96005873 IYAGEVWUCUEBEA-UHFFFAOYSA-N 316.409 2.071 0 40 DEAB CN1C(=O)c2ccc(C(=O)NCCC3CCCC3)cc2C1=O 12923470 PIPSIJTYVPGZOK-UHFFFAOYSA-N 300.358 2.223 0 40 DEAB COC(=O)[C@@H]1C[C@H](O)CN1Cc1cc2cc(C)c(C)cc2o1 93441447 PWRCFNAAVSAMCF-ZFWWWQNUSA-N 303.358 2.158 0 40 DEAB NC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCCCC3)C1 9336170 QWHLIACGBFFYGI-LBPRGKRZSA-N 306.431 2.355 0 40 DEAB COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2ccccc2)C1 65548876 IOBLILORFNMRHN-KBPBESRZSA-N 319.405 2.082 0 40 DEAB CCOc1ccccc1/C=C/C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C 65522812 SSOFCKCMZSSJMV-NFGUQPCJSA-N 316.401 2.211 0 40 DEAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1cnn(CC)c1 96298203 HKLGOHKWQRZYIE-VKUYVZBCSA-N 322.434 2.099 0 40 DEAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)NC1CC1 5499505 BSRFPZJLMKDFFJ-LLVKDONJSA-N 316.430 2.165 0 40 DEAB COC(=O)CN(Cc1ccccc1C)C(=O)c1cc(C)on1 66291475 ODYCWCWPRLMWBH-UHFFFAOYSA-N 302.330 2.107 0 40 DEAB Cc1c(C)n(Cc2ccco2)c2ncn(CCN(C)C)c(=N)c12 6719864 UURXPERBURFJEB-UHFFFAOYSA-N 313.405 2.137 0 40 DEAB Cc1ccc(C)c(CS(=O)(=O)c2nnc(N(C)C)s2)c1 66718056 RJUQMZPWJZYEAR-UHFFFAOYSA-N 311.432 2.195 0 40 DEAB CCCN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 4854643 MIGCGHZKOSKWPD-CYBMUJFWSA-N 305.765 2.200 0 40 DEAB CCc1cc(NC(=O)C2CCN(C(=O)C(C)C)CC2)nc(C)n1 96425629 OLNAPIPNUUBCGW-UHFFFAOYSA-N 318.421 2.181 0 40 DEAB C[C@@H](CNC(=O)CCc1cnn(C)c1)Oc1ccc(F)cc1 96431497 KSFDHKYOKPVNIV-LBPRGKRZSA-N 305.353 2.076 0 40 DEAB CN(Cc1c(Cl)ccc2cccnc12)CC(C)(CO)CO 84638231 MDJPOSPFWYOTAJ-UHFFFAOYSA-N 308.809 2.311 0 40 DEAB Cc1nnc(CS(=O)(=O)[C@H](C)c2c(F)cccc2F)n1C 90989101 BJDBUVHGOCFHHX-MRVPVSSYSA-N 315.345 2.078 0 40 DEAB C[C@H](NC(=O)N[C@@H](C)[C@@H](C)CO)c1cccc(-n2ccnc2)c1 84640249 VVNYMHUJPVGLEC-IHRRRGAJSA-N 316.405 2.249 0 40 DEAB NC(=O)c1ccc(COC(=O)c2ccc3nccnc3c2)cc1 16814903 DUWWOTXUHKMPSW-UHFFFAOYSA-N 307.309 2.086 0 40 DEAB O=C(CN1CCc2cncnc2C1)N[C@@H]1CCCc2ccccc21 69571066 IYCVYUZACKLOMT-QGZVFWFLSA-N 322.412 2.029 0 40 DEAB CCc1nnsc1C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 95400079 PIBNTLDXENWRRW-SECBINFHSA-N 316.386 2.336 0 40 DEAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H](C(N)=O)C(C)C 69623743 ZZAGBRRUEBLPGN-MFKMUULPSA-N 312.797 2.042 0 40 DEAB O=C(CSc1nnc(-c2ccccc2)[nH]1)Nc1nncs1 18093881 RHZWXCZZRNQZNX-UHFFFAOYSA-N 318.387 2.054 0 40 DEAB O=C(c1ccco1)N1CCN(c2ncnc3ccsc23)CC1 8777717 LUNSNRPHACWGSM-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB CCc1ocnc1C(=O)N1CCC[C@H]1c1noc(C2CC2)n1 72299508 ITSWHWRMWGOXPV-JTQLQIEISA-N 302.334 2.475 0 40 DEAB COCCNc1ccc(CNC(=O)Cc2ccccc2O)cc1 72287597 NIWPMNNBEVHXMY-UHFFFAOYSA-N 314.385 2.309 0 40 DEAB Cc1nc(NS(=O)(=O)c2cnn(C(C)C)c2)cc(C2CC2)n1 97101509 FGJBEGXCGRZCHE-UHFFFAOYSA-N 321.406 2.241 0 40 DEAB O=C(OCc1ccccc1F)[C@@H]1CSCN1C(=O)C1CC1 97123914 UVZIFCSXEWTLKT-ZDUSSCGKSA-N 309.362 2.180 0 40 DEAB Cn1cccc1CN1CCN(Cc2ccc(Cl)cn2)CC1 97108616 HJFMXGMMOJATEQ-UHFFFAOYSA-N 304.825 2.391 0 40 DEAB CC1=CCC[C@@H](C)[C@@H]1CNCC1(S(C)(=O)=O)CCOCC1 97164265 INTXZVSYNPFNOA-HUUCEWRRSA-N 315.479 2.162 0 40 DEAB COC(=O)c1coc(C(=O)N2CCC(NC3CCCC3)CC2)c1 97137011 FJQHGXKHTUAKMV-UHFFFAOYSA-N 320.389 2.203 0 40 DEAB CN(C)c1ccc(C(=O)OCc2cccc(C(N)=O)c2)c(F)c1 95973010 GVSCQSLCIJIMIA-UHFFFAOYSA-N 316.332 2.348 0 40 DEAB COc1ccsc1S(=O)(=O)Nc1cccc2c[nH]nc12 89484134 GPYINQMJVIUVFK-UHFFFAOYSA-N 309.372 2.434 0 40 DEAB CC1=NN(C(=O)C(C)(C)C)[C@@](O)(C(F)(F)OC(F)(F)F)C1 409178894 JNIGASUDFRADFX-VIFPVBQESA-N 318.242 2.459 0 40 DEAB CSCC[C@@H](NC(=O)NCCCc1ccccc1)C(=O)O 6762828 HYOMPMWOJFOEAJ-CYBMUJFWSA-N 310.419 2.125 0 40 DEAB biogenic C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC1(C(=O)O)CCCCC1 32735797 XVBKEEJPJLLKLY-GFCCVEGCSA-N 316.357 2.229 0 40 DEAB O=C(COc1ccc(F)cc1)N1CC[C@@H](Oc2ccncc2)C1 121164976 LHMKHIPHEQIVOH-MRXNPFEDSA-N 316.332 2.279 0 40 DEAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cc(C)cc(C)c1 77844502 IULCMXBTNGDJIX-GUYCJALGSA-N 306.406 2.155 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)NCCn1ccnc1 43310973 URDUXWAESCOTSG-NSHDSACASA-N 306.341 2.091 0 40 DEAB CSCC[C@H](NCc1cnc(-c2ccccc2)nc1)C(=O)O 218770777 CWIFGZRGRQTREB-AWEZNQCLSA-N 317.414 2.440 0 40 DEAB Cc1c(CN2CCC[C@]2(C)C(=O)NC2CCCC2)cnn1C 72392233 WIRPHRXXTRNNFC-QGZVFWFLSA-N 304.438 2.142 0 40 DEAB COc1ccc(S(=O)(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 40554303 CNGNRMHCNGPZKJ-GJZGRUSLSA-N 311.403 2.027 0 40 DEAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 46633373 YUENZUWJYPYBBH-LBPRGKRZSA-N 304.390 2.353 0 40 DEAB O=C(Cc1c[nH]c2ncccc12)N1CCNC[C@H]1c1ccccc1 564828810 OOUCZPNHGHCCFK-KRWDZBQOSA-N 320.396 2.279 0 40 DEAB Cc1nn(C(C)C)c2cnn(CC(=O)Nc3nccs3)c12 46087549 VUHVKFZVKICIMU-UHFFFAOYSA-N 304.379 2.217 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)Nc1cc(C)on1)O2 40805334 KGTJMXCCAXXJPZ-OAHLLOKOSA-N 301.302 2.020 0 40 DEAB Ic1ccccc1O[C@H]1CCCNC1 42782908 HJYWQAGUADLUAS-VIFPVBQESA-N 303.143 2.422 0 40 DEAB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CC 225007383 JVXHWQQBVHYCPH-CYBMUJFWSA-N 306.406 2.349 0 40 DEAB CC(C)NC(=O)[C@@H](C)N1CCN(Cc2ccccc2Cl)CC1 78440905 PZXKLZVGVHCAOT-CQSZACIVSA-N 323.868 2.371 0 40 DEAB CC1CCN(C(=O)[C@H](C)[S@@](=O)c2ccc3[nH]ncc3c2)CC1 575105637 XPEFZTGSOACHNK-AMXDTQDGSA-N 319.430 2.318 0 40 DEAB COc1ccc(CN2CCC3(CC2)C[C@H](N(C)C)CO3)cc1 96047923 IPDQESYUCSUNQZ-INIZCTEOSA-N 304.434 2.380 0 40 DEAB CN1CC[C@]2(c3ccccc3)CCN(Cc3cnn(C)c3)C[C@@H]12 96058418 KIKDBKSXYHFZDL-RTBURBONSA-N 310.445 2.268 0 40 DEAB Cc1cc(COC(=O)[C@@H]2CCN(C)C(=O)C2)c2ccccc2n1 96442147 QIIDCVQGJHLULR-CYBMUJFWSA-N 312.369 2.455 0 40 DEAB C[C@@H]1COc2ccccc2N1C(=O)c1cnc2ccccn2c1=O 96443202 CJHYPESEKGMLKQ-GFCCVEGCSA-N 321.336 2.122 0 40 DEAB Cc1ccc(N[C@H]2CO[C@@]3(CCN(c4nccs4)C3)C2)nn1 96072764 BCPTUODFPYGVNH-DOMZBBRYSA-N 317.418 2.091 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2n[nH]c(C(C)C)n2)c1C 96116724 LLJUVABJLCNAJB-UHFFFAOYSA-N 319.365 2.302 0 40 DEAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)[C@H]1CCCO1 96432930 NFAOZBXUGBTPAE-MRXNPFEDSA-N 317.433 2.326 0 40 DEAB CCN(C(=O)c1cc(C)no1)c1ccccc1S(=O)(=O)CC 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316.361 2.078 0 40 DEAB O=C(CC1CCCC1)NC[C@]1(O)CCCN(c2ccccn2)C1 257308584 TXHIMIXUXGMGFX-GOSISDBHSA-N 317.433 2.109 0 40 DEAB CNc1nc(C)cc(C(=O)N2CCc3sc(Cl)cc3C2)n1 577754342 CIRBVHYNXDTGJH-UHFFFAOYSA-N 322.821 2.740 0 40 DEAB Cc1cc(C(=O)N2CC[C@@](O)(COc3ccccc3)C2)ccn1 585277226 NIGJPCSQAHYGOX-SFHVURJKSA-N 312.369 2.046 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(Cc2cncnc2)C1 585273947 GVTQDORGBOJKAI-QGZVFWFLSA-N 317.364 2.286 0 40 DEAB CC1CCC(N2CCC(N(C)CCS(C)(=O)=O)CC2)CC1 69420218 DNRJMZKBSAZPOJ-UHFFFAOYSA-N 316.511 2.006 0 40 DEAB O=C(COCC1CC1)N[C@H]1CCCN(c2cccc(F)c2)C1 71909333 KJUHUGXNQBEPIJ-HNNXBMFYSA-N 306.381 2.337 0 40 DEAB NC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 48088554 DBTGCPZFLLODOE-MRVPVSSYSA-N 301.173 2.331 0 40 DEAB NC(=O)c1ccc(OCCC(=O)NC[C@H]2CC=CCC2)cc1 75093756 DLFINBCBEZNPRP-ZDUSSCGKSA-N 302.374 2.027 0 40 DEAB CN(C)C(=O)NCCN(C)C(=O)/C=C/c1cccc(Cl)c1 95456691 SCRCXZGLINGOHH-BQYQJAHWSA-N 309.797 2.083 0 40 DEAB COc1cccc(COC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1OC 5527528 UMVSFPMJKOWIQI-STQMWFEESA-N 320.341 2.414 0 40 DEAB CN(C)C(=O)CSc1nc(NC2CC2)c2ccccc2n1 14129363 YSIKSOFAOXAQHE-UHFFFAOYSA-N 302.403 2.384 0 40 DEAB CN1CC(=O)Nc2cc(C(=O)NCc3cccs3)ccc21 6920005 INCIAVCGJFXYAN-UHFFFAOYSA-N 301.371 2.066 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)Cn2cnc3ccccc3c2=O)c1C 7005309 ZWQOWACBWXVGRY-UHFFFAOYSA-N 323.352 2.427 0 40 DEAB NC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)CCO2 14236045 RPANXWTUZDOYOB-SOFGYWHQSA-N 308.337 2.372 0 40 DEAB Nc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)n[nH]1 6607111 GLBKLGXYBKPCCX-UHFFFAOYSA-N 318.189 2.425 0 40 DEAB O=C(c1nc2ccccc2s1)N1CC[C@H](c2ncon2)C1 238927068 USWGIJBHPGZWFB-VIFPVBQESA-N 300.343 2.309 0 40 DEAB CCOC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1ccc(O)cc1 4537638 MYVHHYIZQGREIM-CQSZACIVSA-N 304.346 2.268 0 40 DEAB O=C(NCc1ccc(F)cc1)C(=O)NCc1ccccc1Cl 10326138 UTRSNTMHTWXBIY-UHFFFAOYSA-N 320.751 2.412 0 40 DEAB O=C(CCCC(=O)N1CC(Nc2ccncn2)C1)c1ccccc1 585148836 ITZRPZIHPCGAOH-UHFFFAOYSA-N 324.384 2.153 0 40 DEAB C[C@@H](Sc1nc(N)cc(=O)[nH]1)c1nnc(-c2ccccc2)o1 28616914 YQTQQHZHRGUTED-MRVPVSSYSA-N 315.358 2.255 0 40 DEAB Cc1ccc(OCCN2C(=O)N[C@](C)(c3ccco3)C2=O)cc1 30343136 BOCOEGHZRLPZAB-QGZVFWFLSA-N 314.341 2.434 0 40 DEAB Cc1occc1C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 40535997 ITNPCSSFJUTVAO-GFCCVEGCSA-N 315.373 2.138 0 40 DEAB Cc1csc2c(=O)n(Cc3nnc4n3CCCCC4)cnc12 32513786 MDWCRAGPOUHXAO-UHFFFAOYSA-N 315.402 2.133 0 40 DEAB CN(C(=O)[C@@H]1CC[C@H](C(F)(F)F)NC1=O)c1ccccc1 32642815 LMPSZDUMQULKFE-GHMZBOCLSA-N 300.280 2.107 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)NC[C@H]1Cc2ccccc2O1 33117169 CHTWJPXSVFFOCH-LLVKDONJSA-N 305.765 2.115 0 40 DEAB Cc1ccc(CN(Cc2nc(O)c3cnn(C)c3n2)C2CC2)o1 52828314 KPWJEQXUWYTTBV-UHFFFAOYSA-N 313.361 2.135 0 40 DEAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(OC(F)F)c1 103155214 YGPJYSBLOZEZIL-WFFHOREQSA-N 323.295 2.263 0 40 DEAB Cc1cc(C)c(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)c(C)c1 22886138 ZIYSLEFMQUKVMR-GFCCVEGCSA-N 318.373 2.145 0 40 DEAB CCc1nn2c(=O)cc(CN3C[C@@H](C)C[C@@H](C)C3)nc2s1 23698321 XUWDUTMKPCZGDX-PHIMTYICSA-N 306.435 2.191 0 40 DEAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCN(C2CC2)CC1 61605978 OUBXRGUFAGRSLP-XVNBXDOJSA-N 314.385 2.125 0 40 DEAB COc1cc(OC)cc(C(=O)OCCn2nc(C)cc2C)c1 42776917 VKUQNFULRYUFCO-UHFFFAOYSA-N 304.346 2.374 0 40 DEAB Cc1ccc(OCc2nnc(SCCC(=O)O)n2C)cc1 420591 RCWRHPUAHVLXAR-UHFFFAOYSA-N 307.375 2.269 0 40 DEAB CCn1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)n1 557832 RNPIYMPTGFHOTQ-UHFFFAOYSA-N 303.366 2.008 0 40 DEAB CCCn1nnnc1NC(=O)COc1ccc2ccccc2c1 569553 WYTUSPCWDBRGJK-UHFFFAOYSA-N 311.345 2.254 0 40 DEAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3F)n2)cc1 922378 XCNSDGICAANXOF-UHFFFAOYSA-N 312.304 2.371 0 40 DEAB O=C(Nc1n[nH]c2ccccc12)[C@H]1CC(=O)N(Cc2ccco2)C1 78311927 GUQKUKWPRLDNQQ-NSHDSACASA-N 324.340 2.143 0 40 DEAB Cc1cc(NC[C@@H](C)Oc2cccc(F)c2)n2ncnc2n1 78456908 HYWDGTHAKYYYSI-LLVKDONJSA-N 301.325 2.451 0 40 DEAB CCC(=O)N[C@H]1CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 78611699 ZMHUDPUMBDYPIG-HNNXBMFYSA-N 302.374 2.020 0 40 DEAB CNC(=O)OCc1nc(-c2ccccc2)oc1COC(=O)NC 1580122 SAJRXSDPIRBZDT-UHFFFAOYSA-N 319.317 2.054 0 40 DEAB C[C@H](CNC(=O)NCc1cccnc1)N(C)Cc1ccccc1 78923925 LEBJLJNYXCLUPV-OAHLLOKOSA-N 312.417 2.401 0 40 DEAB O=C(Nc1cnc2ccccc2n1)c1cc(-n2cccn2)ccn1 79024554 ZLIXOEHPRFKLTF-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB CN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCOC1 106535227 RWDHNBWOWYEVCT-IAGOWNOFSA-N 317.433 2.081 0 40 DEAB COc1cccc2cc([C@@H](C)NC(=O)[C@H](C)NC(C)=O)oc12 25139407 ANCULZCADUTDTP-ZJUUUORDSA-N 304.346 2.143 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2n[nH]c3ccccc23)C1 4824516 KUFUMFBMXXSDAQ-VXGBXAGGSA-N 315.373 2.224 0 40 DEAB Cc1nc([C@H]2CCCN2C[C@H](O)COCc2cccs2)no1 95393702 UXNVAXUEQZHDKV-GXTWGEPZSA-N 323.418 2.154 0 40 DEAB Cn1cc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cn1 108528719 GDKQBHCABIAULX-UHFFFAOYSA-N 316.449 2.035 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cncnc2C)n1 75129724 KEPIGXYPRAEWPL-OAHLLOKOSA-N 313.405 2.293 0 40 DEAB CN(C)c1cc(C(=O)Nc2ccc(-c3nnco3)cc2)ccn1 58267396 BDQAOBOUASIAJP-UHFFFAOYSA-N 309.329 2.450 0 40 DEAB O=C(NCc1ccc(N2CCCC2)nc1)NCc1ccccn1 44946286 DBUIDKICQVQIFE-UHFFFAOYSA-N 311.389 2.076 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)NCc1nnc2n1CCCCC2 44914863 JJZOXBNXBFOSTR-LBPRGKRZSA-N 317.393 2.028 0 40 DEAB Cc1noc([C@@H](C)N2CCC(NC(=O)c3ccccc3)CC2)n1 27812171 LDJSTQRDZACCRL-GFCCVEGCSA-N 314.389 2.333 0 40 DEAB CC(=O)N[C@@H](C(=O)NCCSc1ccc(C)cc1)C(C)C 9888924 NDKGSEOQPTVNKK-OAHLLOKOSA-N 308.447 2.364 0 40 DEAB COc1cccc(C[C@@]2(C(=O)N3CC(O)C3)C[C@@H]3CC[C@@H]2C3)c1 102679506 XHTWZZMMMIAPOP-SPYBWZPUSA-N 315.413 2.247 0 40 DEAB CCOCCO[C@@H](C)C(=O)Nc1[nH]nc(-c2ccncc2)c1C 58420349 BPLNOPZTOYAAGU-LBPRGKRZSA-N 318.377 2.160 0 40 DEAB CCc1noc(CS(=O)(=O)Cc2ccccc2Cl)n1 58596583 VEPOEANNTNOHPE-UHFFFAOYSA-N 300.767 2.400 0 40 DEAB C[C@@H]1CCc2sc(C(=O)N[C@H](C)CN3CCOCC3)cc2C1 46886253 ZDLYQWJIHIWZQR-CHWSQXEVSA-N 322.474 2.323 0 40 DEAB O=C1CCC(=O)N1c1cnn(Cc2ccc(F)cc2Cl)c1 2732566 MVHDNGBMZZDENA-UHFFFAOYSA-N 307.712 2.377 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 9141501 ZYKCJZQRLJYTTN-ZMLRMANQSA-N 309.435 2.111 0 40 DEAB CC(C)(C)n1nnnc1[C@H](c1cccnc1)N1CCCCC1 71405245 GBABCNMDEPUMFE-AWEZNQCLSA-N 300.410 2.398 0 40 DEAB C[C@H]1CN(CCC(=O)N2CCc3ccccc32)CC(C)(C)O1 65424368 CLPNDQAHALWMGP-AWEZNQCLSA-N 302.418 2.465 0 40 DEAB C[C@H](CNC(=O)Cc1n[nH]c(=O)c2ccccc12)c1ccccc1 9365564 WLXCGPFXGJQVOV-CYBMUJFWSA-N 321.380 2.386 0 40 DEAB Cc1ccoc1C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 14199704 ZPGRINVSOODJAZ-UHFFFAOYSA-N 308.359 2.091 0 40 DEAB CCNC(=O)c1cccc(NC(=O)NCc2cc(C)on2)c1 65609843 QBUQSKAKHYJUFN-UHFFFAOYSA-N 302.334 2.054 0 40 DEAB COc1ccc(C(=O)COC(=O)c2nn(C)cc2Cl)cc1 4734991 FTPBTOKCGCMJFM-UHFFFAOYSA-N 308.721 2.122 0 40 DEAB Cc1ccc(C(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)o1 71792449 CNYDUNJOOXYJKK-MRXNPFEDSA-N 314.385 2.079 0 40 DEAB O=C(Cn1c(=O)cnc2ccccc21)N[C@@H]1C[C@@H]1c1ccccc1 67512746 QZSYXTYCSUJNDD-GDBMZVCRSA-N 319.364 2.069 0 40 DEAB COc1cc(CN2CCN(C(=O)CC3CC3)CC2)cc(OC)c1 96446765 FWTDJILBGBQATG-UHFFFAOYSA-N 318.417 2.148 0 40 DEAB O=C(O)c1cccc(OS(=O)(=O)c2ccc(F)cc2F)c1 7779349 GEZHNQRDFAWHLC-UHFFFAOYSA-N 314.265 2.431 0 40 DEAB COc1ccc([C@@H](O)CN2CCC[C@@H]2Cn2cccn2)cc1 71875674 VNHZAVGTWWHQEM-WBVHZDCISA-N 301.390 2.090 0 40 DEAB O=C(Nc1cccc(Oc2ncccn2)c1)c1ccc[nH]c1=O 69493945 NCTRZFMHNQBNSN-UHFFFAOYSA-N 308.297 2.210 0 40 DEAB C[C@@H](c1ccccc1)N(C)C(=O)Cn1nnc2ccccc2c1=O 8404977 WCGVDIYCGOETJF-ZDUSSCGKSA-N 322.368 2.011 0 40 DEAB Cc1ccc(N2CCCN(C(=O)c3ccsc3)CC2)nn1 69621902 YATYTNQRYXBDIZ-UHFFFAOYSA-N 302.403 2.199 0 40 DEAB C[C@H](NC(=O)C[C@@H]1C=CS(=O)(=O)C1)C(C)(C)c1ccccc1 69705777 SIIWUMWXMAUWKZ-KBPBESRZSA-N 321.442 2.417 0 40 DEAB C[C@@H]1Cc2ccccc2N(C(=O)C[C@H]2CCS(=O)(=O)C2)C1 69898569 BBKAIOVDCRSMKV-CHWSQXEVSA-N 307.415 2.037 0 40 DEAB c1cncc(-c2n[nH]c(SCc3noc(C4CC4)n3)n2)c1 69819299 MDWAOUGKZOGVJA-UHFFFAOYSA-N 300.347 2.419 0 40 DEAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)S(=O)(=O)N(C)C 95975118 DVFZKYVDQXNPSD-SNVBAGLBSA-N 305.469 2.374 0 40 DEAB O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H]1Cn1cccn1 69969247 RJLYTXOYTFJNOA-GFCCVEGCSA-N 312.329 2.436 0 40 DEAB Cc1ccc(-c2cc(CN3CCO[C@H](CN(C)C)C3)on2)cc1 69951066 HGCXDNCYEBKUPX-QGZVFWFLSA-N 315.417 2.412 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)oc1C 95983543 WRNDFSPJYLHHNU-AWEZNQCLSA-N 317.389 2.460 0 40 DEAB CNC(=O)NC(=O)CN[C@H](C)c1cccc(Cl)c1Cl 95985264 PCPTUJUQWOCCQM-SSDOTTSWSA-N 304.177 2.100 0 40 DEAB Cc1cccc2c(=O)n(CCC(=O)Nc3cccc(O)c3)cnc12 96992436 LNEJDKOCXJAGQR-UHFFFAOYSA-N 323.352 2.439 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)NC(C)(C)C)cc1 97097899 AMJWOMHAJBTSMJ-GFCCVEGCSA-N 312.435 2.255 0 40 DEAB Brc1cnn(CCN2CCC[C@H](c3ccn[nH]3)C2)c1 72277653 JYDGNEWGIBWGSH-NSHDSACASA-N 324.226 2.248 0 40 DEAB Cc1ccc2c(n1)OCCN2C(=O)c1cc2ccccc2c(=O)[nH]1 97232649 UFBPASLHDUSWSF-UHFFFAOYSA-N 321.336 2.271 0 40 DEAB CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1ccc(N)nc1 72447954 KWCNOTSLWAZYDX-UHFFFAOYSA-N 307.357 2.122 0 40 DEAB Cc1ccc(NC(=O)c2cc(S(N)(=O)=O)ccc2F)c(C)c1 72524800 SMAFGROHIMXYJD-UHFFFAOYSA-N 322.361 2.342 0 40 DEAB CCn1nc(C)cc1C(=O)N(C)Cc1ccc(C(=O)O)cc1 89300342 HZFYPNQTXPPITM-UHFFFAOYSA-N 301.346 2.182 0 40 DEAB CC(C)[C@@H](NC(=O)CN1CCN(C)C[C@@H]1C)c1cccs1 89938970 LKEGPJMBZLPZAP-XJKSGUPXSA-N 309.479 2.197 0 40 DEAB O=C(NCCNC(=O)N1CCC[C@@H]2CCC[C@@H]21)c1ccccc1 76085273 HWBWZVOXJFWUPD-HOCLYGCPSA-N 315.417 2.391 0 40 DEAB O=C(c1ccc[n+]([O-])c1)N1CC[C@H](Cc2ccc(F)cc2)C1 76652268 MWPIRHZWOYSGCS-CQSZACIVSA-N 300.333 2.164 0 40 DEAB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C1\SC(=O)N(C)C1=O 408820121 UBCNHKMFLPYTPM-LCFDYFRESA-N 315.354 2.234 0 40 DEAB CC(=O)NC[C@@H]1C[C@@H](C)N(C(=O)c2cccc3ncccc23)C1 1010228884 HVPYXUBMNXHCAB-OCCSQVGLSA-N 311.385 2.222 0 40 DEAB Cc1nc(-c2cncnc2C2CCN(c3ncccn3)CC2)no1 72368957 JGSPOOHSMUBFGJ-UHFFFAOYSA-N 323.360 2.009 0 40 DEAB C[C@@H](Cn1cc(Cl)cn1)C(=O)N[C@H]1CCCc2c1cnn2C 71195557 IJSSMNJDBAEMSJ-GWCFXTLKSA-N 321.812 2.100 0 40 DEAB O=C(NCCCn1ncc2c(Cl)cccc21)[C@H]1CCCO1 71196107 DMSIFDPLLFMVFO-CQSZACIVSA-N 307.781 2.375 0 40 DEAB COc1ccc(CN2C(=O)[C@@H](N)[C@@H]2c2ccc(C)o2)cc1OC 72227069 HTYDLQHASXTDHG-HOTGVXAUSA-N 316.357 2.016 0 40 DEAB CCN(C[C@@H]1CCCN(CC(=O)O)C1)C(=O)OC(C)(C)C 79410597 BGBKYYHGOAXCRC-GFCCVEGCSA-N 300.399 2.040 0 40 DEAB C[C@@H]1OCc2cc(=O)n([C@@H](C)C(=O)Nc3ccccc3F)nc21 72342394 NJQNUDUEQTXGNN-UWVGGRQHSA-N 317.320 2.173 0 40 DEAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)N1CCSCC1 76828136 YHANSNXOLLBQFR-UHFFFAOYSA-N 320.867 2.065 0 40 DEAB COCc1nc2c(s1)CN(C(=O)c1ccc(OC)cc1)CC2 41194441 DGEKUALFBMVWIQ-UHFFFAOYSA-N 318.398 2.497 0 40 DEAB C[C@H](CN(C(=O)c1ccn(-c2ccccc2)n1)C1CC1)C(=O)O 225484954 XPNZHDMDJLVSCA-GFCCVEGCSA-N 313.357 2.198 0 40 DEAB O=C(Cc1ccsc1)N1CCC[C@@H](Oc2cccnn2)C1 225456738 LVKWLIMPQGJKJK-CYBMUJFWSA-N 303.387 2.151 0 40 DEAB NC(=O)C1(C(=O)N(c2ccc(O)cc2)c2ccc(F)cc2)CC1 97757518 YLAJSYKDUYGIAG-UHFFFAOYSA-N 314.316 2.462 0 40 DEAB CN(C)[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)[C@@H]2CCCO[C@H]12 96185770 BFXAVJOFODOGMA-ZACQAIPSSA-N 313.401 2.102 0 40 DEAB c1ccc(O[C@@H]2CO[C@@]3(CCN(Cc4ccncc4)C3)C2)nc1 96218677 ZTPFGWHFIKNIBD-WMZOPIPTSA-N 311.385 2.289 0 40 DEAB C[C@H](NC(=O)CS[C@@H]1CCc2ccc(F)cc21)C(=O)N(C)C 95418077 SHODRMCUQXJQEB-IINYFYTJSA-N 324.421 2.139 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCC(F)(F)F)C1 96436010 JWKVBQMMNWFJHK-BDAKNGLRSA-N 310.316 2.358 0 40 DEAB NC(=O)N1CCC[C@@H]1COC(=O)C1(c2ccccc2)CCC1 96442172 PDBMDXKMILSCDX-CQSZACIVSA-N 302.374 2.195 0 40 DEAB O=C(NC1CC1)[C@H]1C[C@H]2OCC[C@H]2N(Cc2cccs2)C1 96057654 SAZUWVJRWRERAJ-NILFDRSVSA-N 306.431 2.006 0 40 DEAB CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H]1c1ccc(Cl)cc1 95431462 KMNJDMIWYKBKQY-ZWNOBZJWSA-N 309.797 2.321 0 40 DEAB O=C(NC[C@H](CO)Cc1ccccn1)c1cccc(Cl)c1 96454740 UKGUGNOHBUIPBM-GFCCVEGCSA-N 304.777 2.316 0 40 DEAB CN1CCN(c2nc(-c3ccccc3)c(CC(=O)O)s2)CC1 95097089 YHLFVATVKVIETO-UHFFFAOYSA-N 317.414 2.189 0 40 DEAB CCO[C@@H](C)c1noc(CN2CCN([C@H]3C=CCCC3)CC2)n1 96441590 WJTFIXRNCGLGNX-GJZGRUSLSA-N 320.437 2.393 0 40 DEAB CCO[C@@H]1CCOC2(C1)CN(Cc1ccc3c(c1)OCO3)C2 248378212 IVPGRZNDNCNIQT-CQSZACIVSA-N 305.374 2.185 0 40 DEAB COCCN1CC[C@@H](c2cc(Nc3nccs3)nc(C)n2)C1 257261862 LJBDWFXKEUHJLM-GFCCVEGCSA-N 319.434 2.421 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3cnn(C)c3C)CC[C@@]2(C)C1 257246108 ISNBFDRXGWKRLC-NUJGCVRESA-N 319.449 2.467 0 40 DEAB CO[C@H]1CN(C(=O)CCOc2ccccc2)CC[C@@]12CCCO2 257202102 AKLBKRKMOVELBF-WMZOPIPTSA-N 319.401 2.252 0 40 DEAB Cc1cncc([C@@H]2CCCN2S(=O)(=O)c2ccccc2)n1 257267266 MGOWACZAIYDESO-HNNXBMFYSA-N 303.387 2.311 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1 257283253 OXLYONNZYOUMII-CQSZACIVSA-N 319.430 2.111 0 40 DEAB CN(C)c1nc(CN2CC[C@@H](C(=O)O)c3ccccc32)ns1 578454281 VSKPJAKNYVKIHM-LLVKDONJSA-N 318.402 2.183 0 40 DEAB CO[C@]1(COc2ccccc2)CCN(Cc2c[nH]nc2C)C1 585274700 MDFAOIYKIOBNJS-QGZVFWFLSA-N 301.390 2.388 0 40 DEAB CCN(Cc1ccccc1)C(=O)Cn1ccc2ccn(C)c2c1=O 65220056 PCELJPUTYFTIKP-UHFFFAOYSA-N 323.396 2.389 0 40 DEAB Cc1cc(N2CCN(c3nc4cnccc4s3)CC2)ncn1 1776009816 RZIAMRSAMDGODI-UHFFFAOYSA-N 312.402 2.116 0 40 DEAB CC(C)[C@@H](NC(=O)Cc1cccc(Br)c1)C(=O)O 50039844 WQOGNBMCKJIRPU-GFCCVEGCSA-N 314.179 2.217 0 40 DEAB CC(C)OCCS(=O)(=O)Nc1ccc(-c2ccn[nH]2)cc1 75093257 VJYIXYIUFBNDKQ-UHFFFAOYSA-N 309.391 2.243 0 40 DEAB CCCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1ccncc1 57421260 WVSMNCCZDOFAPU-ZFWWWQNUSA-N 303.406 2.440 0 40 DEAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCSCC1 40542090 GCDXHFVJFPTHNP-UHFFFAOYSA-N 303.387 2.245 0 40 DEAB CCCC(=O)NC1CCN([C@@H](C)c2nc(CCC)no2)CC1 40540178 BDRHDLYRHFTIEI-LBPRGKRZSA-N 308.426 2.464 0 40 DEAB Cc1cc(F)cc(C(=O)OCCNC(=O)c2ccncc2)c1 76853691 WBCHAMZYPVICPJ-UHFFFAOYSA-N 302.305 2.116 0 40 DEAB Cc1ccccc1-n1ncc(C(=O)NC[C@@H](C)CC(=O)O)c1C 95992062 SVBVYNFSNIQAJL-NSHDSACASA-N 315.373 2.330 0 40 DEAB Cc1ccc(N2CCC[C@H](C(=O)NCCc3ccccc3)C2)nn1 585234479 WHHLNMVYXDVWAU-KRWDZBQOSA-N 324.428 2.360 0 40 DEAB c1ccc(N2CCC(NC3CCC4(CC3)OCCO4)CC2)nc1 95949710 ULXDKEIHTCZCGU-UHFFFAOYSA-N 317.433 2.326 0 40 DEAB O=C(c1ccccc1)N(Cc1ccco1)[C@H]1CCS(=O)(=O)C1 5193127 SLDJJSNKXMPNJE-AWEZNQCLSA-N 319.382 2.109 0 40 DEAB COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c(OC)c1 19782464 DDBXPMRCKCDBDZ-UHFFFAOYSA-N 320.433 2.394 0 40 DEAB Cc1cc(O[C@H]2CCN(C(=O)c3ccccc3F)C2)cc(=O)o1 206963105 KTCKEFQRJJMHNH-LBPRGKRZSA-N 317.316 2.381 0 40 DEAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1)c1ccc(Cl)s1 244947645 DUNRZVCILQQLGU-KXUCPTDWSA-N 301.795 2.468 0 40 DEAB CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)O)cc1 35348809 IBXQINPTFCSBHA-UHFFFAOYSA-N 323.395 2.444 0 40 DEAB in-vitro COCC(=O)N(c1ccc(C(C)C)cc1)[C@H]1C=CS(=O)(=O)C1 4099702 QAQVOQWBVRTEJM-HNNXBMFYSA-N 323.414 2.100 0 40 DEAB Cc1ccccc1OCC(=O)NC[C@H]1COc2ccccc2O1 5631672 MEYZMCFXZZDZAR-AWEZNQCLSA-N 313.353 2.330 0 40 DEAB Cc1cc(NC(=O)CCn2cnc3ccccc3c2=O)sn1 38490523 ZOMWFGDQUBSTIM-UHFFFAOYSA-N 314.370 2.190 0 40 DEAB c1cnn(-c2ccc(CCNc3ncnc4[nH]ncc34)cc2)c1 12556524 QUDDQHUGGPJPRR-UHFFFAOYSA-N 305.345 2.193 0 40 DEAB O=C(O)c1csc(S(=O)(=O)Nc2cccc3[nH]ncc23)c1 37789790 RELPFFSBUCVXTK-UHFFFAOYSA-N 323.355 2.123 0 40 DEAB CC[C@@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1 30364982 YWKYMDLEOVAWGL-CQSZACIVSA-N 321.446 2.488 0 40 DEAB Cc1cccc(OCCN2C(=O)N[C@@](C)(c3ccco3)C2=O)c1 30343138 XFNAAYAILATKQT-KRWDZBQOSA-N 314.341 2.434 0 40 DEAB COCc1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2C(=O)OC)cc1 101177248 SWOLCLVPFAGBCJ-YHUYYLMFSA-N 317.385 2.151 0 40 DEAB COc1ccc([C@H](NC(=O)[C@H](C)SC)c2nccn2C)cc1 32626561 ATOJUSPKVFKFIC-FZMZJTMJSA-N 319.430 2.386 0 40 DEAB CCCCC[C@H](C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O 102402425 SESCMGRBUCJOFZ-MELADBBJSA-N 306.406 2.023 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)cs2)C1 41128405 LPJCSQZBMXBVBD-LBPRGKRZSA-N 300.383 2.363 0 40 DEAB O=C(Cn1nnc(-c2cccs2)n1)Nc1ccc(F)cc1 418266 PJBXARYSPAFQRT-UHFFFAOYSA-N 303.322 2.179 0 40 DEAB O=C(c1ccnc(-n2cncn2)c1)N1CCC[C@H]1c1ccncc1 53794943 HMGDIBJCJCURLW-HNNXBMFYSA-N 320.356 2.035 0 40 DEAB Nc1cccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(Cl)cc32)c1 85936 MBMYTXMKOCOEPE-INIZCTEOSA-N 316.744 2.335 0 40 DEAB Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3 496042 AFLNWNUJNLZIAO-UHFFFAOYSA-N 312.394 2.299 0 40 DEAB O=C(COc1ccccc1)NC(=S)NCc1ccccc1 503213 MQZOLMYTFIEFGI-UHFFFAOYSA-N 300.383 2.256 0 40 DEAB OC1CCN(Cc2ccc(CNCc3cccnc3)cc2)CC1 78758047 CINOQNBSNIZUIB-UHFFFAOYSA-N 311.429 2.328 0 40 DEAB O=C(O)CCNC[C@@H](O)Cn1c2ccccc2c2ccccc21 2707490 ZWMADXREJDBXGE-CYBMUJFWSA-N 312.369 2.220 0 40 DEAB O=C(CSc1nc(=O)[nH]c2c1CCCC2)Nc1ccccc1 4316938 AJRIOXSLDWQDNT-UHFFFAOYSA-N 315.398 2.380 0 40 DEAB Cc1cccc(OCC(=O)N(CC(N)=O)c2ccccc2)c1C 24971390 GDVZWMCJRXAKLJ-UHFFFAOYSA-N 312.369 2.201 0 40 DEAB Cc1cc(C)n(C[C@@H]2CN([C@H](C)c3cccnc3)CCO2)n1 106666069 LGPTZOVMOJHXOE-WBVHZDCISA-N 300.406 2.357 0 40 DEAB CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 6540577 NRZDLAVNUMPIIS-CYBMUJFWSA-N 324.446 2.002 0 40 DEAB COCc1cccc(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 56952746 IRUHSTWBYVKIAN-INIZCTEOSA-N 315.373 2.461 0 40 DEAB COc1ccnc(N[C@H](CC(=O)N(C)C)c2ccccc2)n1 57151762 CVFXMCJCBNARGJ-CYBMUJFWSA-N 300.362 2.117 0 40 DEAB CC(Cl)(Cl)C(=O)[C@H](C#N)c1nnc2n1CCCCC2 35441756 QGSQXFBSLLEEBN-QMMMGPOBSA-N 301.177 2.375 0 40 DEAB CC1CCN(S(=O)(=O)NCCSc2ccccc2)CC1 44305047 RTSPEESVKHFMFQ-UHFFFAOYSA-N 314.476 2.345 0 40 DEAB Cc1cc(C(=O)NCCc2cccc(O)c2)c2c(C)nn(C)c2n1 58182053 WPSGNYJFGDNTLY-UHFFFAOYSA-N 324.384 2.263 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)c1cc(C)nc2c1c(C)nn2C 58214708 KINPGCUDGUQPMP-ZDUSSCGKSA-N 316.405 2.084 0 40 DEAB Cc1ccc2c(c1)S[C@H](C(=O)NCCCn1cccn1)C2 44911034 QRYWRDKOMXVCCY-HNNXBMFYSA-N 301.415 2.415 0 40 DEAB CN(C)S(=O)(=O)N[C@@H](Cc1ccccc1)c1ccccc1 27976768 VNWVNZIWYTXDLB-INIZCTEOSA-N 304.415 2.366 0 40 DEAB Cc1noc([C@@H](C)N2CCC[C@@H](C(=O)N3CCC(C)CC3)C2)n1 58405059 GNBIEGZOLGINSN-UKRRQHHQSA-N 320.437 2.410 0 40 DEAB Cn1c(C(=O)NCCNC(=O)C(C)(C)C)cc2ccccc21 20725296 YALSLMVQGRSBNC-UHFFFAOYSA-N 301.390 2.070 0 40 DEAB CCN1CCC[C@H]1CN(Cc1cnn(C)c1)Cc1ccco1 22916097 ULMXWFLFXJPBEK-INIZCTEOSA-N 302.422 2.500 0 40 DEAB CC(=O)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 28962423 IZWBGCUVVKGJRG-UHFFFAOYSA-N 303.337 2.145 0 40 DEAB COc1ccc(C)cc1CNCc1ccc(OCC(N)=O)cc1 45822276 FTUIDQQIXBZQGR-UHFFFAOYSA-N 314.385 2.158 0 40 DEAB O=C(Cc1ccc(-n2cnnn2)cc1)Oc1ccc2c(c1)CCC2 45954698 FKRVTXYDNHZMNF-UHFFFAOYSA-N 320.352 2.299 0 40 DEAB CN1CCO[C@@H](C(=O)Nc2ccccc2N(C)C2CCCC2)C1 95417312 HUEARIRMBHJWQU-QGZVFWFLSA-N 317.433 2.335 0 40 DEAB COC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 55449095 DKAGUDWLMJDDMO-CWRNSKLLSA-N 317.385 2.398 0 40 DEAB CNC(=O)[C@H]1CCC[C@]12CCN(Cc1cncc(Cl)c1)C2 108528284 MUVJEMMNVKZFFE-GDBMZVCRSA-N 307.825 2.473 0 40 DEAB CN1CCN(C(=O)OCc2ccccc2)C[C@H]1CN1CCCC1 22927830 CJZXOTZBKJCQRM-QGZVFWFLSA-N 317.433 2.035 0 40 DEAB CNC(=O)Cc1ccc(NCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 29937132 CAXNMXRXCVSNCH-BBRMVZONSA-N 317.433 2.082 0 40 DEAB C1=C(CN[C@@H]2CCO[C@]3(CCOC3)C2)COc2ccccc21 95457751 FBOHUFGLSNFYDY-SJLPKXTDSA-N 301.386 2.390 0 40 DEAB O=C(NC1CCN(C2CC2)CC1)c1c(Cl)nc2ccccn12 47297674 MBGNUZOCLNYRCE-UHFFFAOYSA-N 318.808 2.344 0 40 DEAB COc1ccc([C@H]2SCC(=O)N2C[C@@H]2CCCO2)cc1OC 27754877 VQCNMWQIIHTQMY-BLLLJJGKSA-N 323.414 2.457 0 40 DEAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC[C@H]1CCCO1 6063966 CIRCXRNDIGJALJ-GNFNDJEDSA-N 321.417 2.041 0 40 DEAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(C2CC2)on1 65415671 KJKUYLHUJXVHNZ-GFCCVEGCSA-N 314.341 2.464 0 40 DEAB COCCOCCC(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 65576688 CBHKTQYPGSOBFX-CYBMUJFWSA-N 317.389 2.307 0 40 DEAB CN(C)CCNc1nc2sc3c(c2c2ncnn12)CCCC3 5478399 KRDFJEMYQCHZNO-UHFFFAOYSA-N 316.434 2.191 0 40 DEAB Nc1cc(F)ccc1C(=O)OCC(=O)NCc1ccc(F)cc1 7374815 NUPPEGGTHRGLDC-UHFFFAOYSA-N 320.295 2.020 0 40 DEAB Cn1cnnc1C1CCN(c2nccc(C(F)(F)F)n2)CC1 71844442 NPRSQCOFHLFZQI-UHFFFAOYSA-N 312.299 2.008 0 40 DEAB CCc1nc(CN2CCN(C(=O)c3c[nH]cc3C)CC2)cs1 71823557 CZKXAUHHRIUVON-UHFFFAOYSA-N 318.446 2.300 0 40 DEAB C[C@H]1CN(C(=O)c2cc3ccccc3[nH]c2=O)CC(C)(C)O1 71831160 SARYIYGVXQRLNE-NSHDSACASA-N 300.358 2.168 0 40 DEAB O=C(O)c1ccc(CNC(=S)NC(=O)c2cccs2)cc1 20152346 HMOXDUMQUJUARH-UHFFFAOYSA-N 320.395 2.251 0 40 DEAB C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccnn1C1CCCC1 69462863 ZZKIMKPFAQYIEP-NSHDSACASA-N 316.361 2.348 0 40 DEAB COc1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c1 69580898 OIROEAQQQIWHSZ-AWEZNQCLSA-N 322.430 2.077 0 40 DEAB Cc1[nH]nc(C(N)=O)c1NC(=O)CCSc1ccc(F)cc1 69841579 WDKRJNFYKVFLGI-UHFFFAOYSA-N 322.365 2.077 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(CCc2cccnc2)[C@H]1c1cccs1 69843364 OOVOQSCXSIBQAS-IUODEOHRSA-N 316.382 2.360 0 40 DEAB CC1CCC2(CC1)NC(=O)N(NC(=O)Nc1ccccc1)C2=O 8704022 UNHVRGXZZAONNH-UHFFFAOYSA-N 316.361 2.224 0 40 DEAB Cc1c(C(=O)N2CCOC[C@H]2c2ncon2)oc2ccccc12 95995348 VDTJPSLGNBVBNL-LBPRGKRZSA-N 313.313 2.338 0 40 DEAB COC(=O)CN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 8884215 VSWYHXZDRFHBTB-UHFFFAOYSA-N 322.361 2.279 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H](N3CCNC3=O)C2)s1 84205005 QEDMSHXEAHPJQY-KTRBRXNASA-N 319.430 2.086 0 40 DEAB Cc1cc(C)n(CCCN[C@H]2CCN(CC(F)(F)F)C2)n1 72312289 PSGTWJBHEIKBJW-ZDUSSCGKSA-N 304.360 2.116 0 40 DEAB C[C@H](CNC(=O)NC[C@]1(O)CCSC1)c1cccs1 89901003 CMYGDZTWQGYYQQ-ZWNOBZJWSA-N 300.449 2.019 0 40 DEAB O=S(=O)(Oc1ccc(Cl)c2cccnc12)c1c[nH]cn1 76018122 HEDSACKXPASNPV-UHFFFAOYSA-N 309.734 2.379 0 40 DEAB Cn1cc([C@H](O)CNC(=O)NCc2cccc3ccccc23)cn1 76085731 WIIMRMHAUGLBSD-QGZVFWFLSA-N 324.384 2.106 0 40 DEAB CC(C)(CCS(C)(=O)=O)CNC(=O)NC[C@H]1CC=CCC1 76018589 GSHQIJYCAUIBEK-ZDUSSCGKSA-N 316.467 2.103 0 40 DEAB COc1ccc([C@H](C)NC(=O)C(=O)NCc2ccccc2)cc1 170345315 CLNAWWIRAZSHBF-ZDUSSCGKSA-N 312.369 2.189 0 40 DEAB C[C@@H](C(N)=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 110580591 ADHJGXZTYGYBBY-JVXZTZIISA-N 321.179 2.380 0 40 DEAB CC(C)(C)[C@@]1(C(=O)O)CN(C(=O)OCc2ccccc2)CCN1 66348411 XWOYXPMGCCUTSU-KRWDZBQOSA-N 320.389 2.098 0 40 DEAB CN([C@@H]1CCCOC1)S(=O)(=O)c1ccc2c(c1)C(=O)CCC2 558487128 MDJDLFCZGJJPMC-CYBMUJFWSA-N 323.414 2.005 0 40 DEAB O=C(NC1CC1)c1ccc2c(=O)n(-c3ccc(F)cc3)cnc2c1 32071018 JKNCNKNBIVFNBF-UHFFFAOYSA-N 323.327 2.417 0 40 DEAB CCOC[C@@H]1CN(Cc2cc(C(=O)O)ccc2Cl)CCO1 530173008 QXDRQTQOURHSQI-ZDUSSCGKSA-N 313.781 2.276 0 40 DEAB CCC1=NN(C(=O)c2ccc(O)cc2)[C@@](O)(c2ccncc2)C1 408751542 WXTUCENPIZBVEP-KRWDZBQOSA-N 311.341 2.244 0 40 DEAB O=C(NCC(F)(F)F)[C@@H]1CCCN(CCc2ccncc2)C1 75928695 YURJIMCTRRHGFY-CYBMUJFWSA-N 315.339 2.015 0 40 DEAB CCSC1=N[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1C 32639809 JEWLCYSSWVYCCY-OCCSQVGLSA-N 324.471 2.398 0 40 DEAB CC(C)(C)c1nsc(N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)n1 1548452873 QDTAKOCPQALRTQ-VIFPVBQESA-N 320.422 2.024 0 40 DEAB CCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 32611597 XCPPYGBVCAYECI-AWEZNQCLSA-N 324.446 2.004 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCCSC1CCCC1 78532436 HRUOUTAVLKCCCE-UHFFFAOYSA-N 304.437 2.246 0 40 DEAB O=C(Nc1cccc(F)c1)c1ccc([C@@H]2CNCCO2)nc1 72365596 ICSQHIKJIOIGCG-HNNXBMFYSA-N 301.321 2.134 0 40 DEAB c1cnc(N2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)nc1 72378784 MYJZYGGGQUDYSG-CQSZACIVSA-N 306.373 2.441 0 40 DEAB Cc1cc(C(=O)N2CCC(C)CC2)nc([C@H]2CCCN2C)n1 72387019 RJVJLRBWXVWTKX-OAHLLOKOSA-N 302.422 2.424 0 40 DEAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccoc3)n2)cn1 78774718 YTCSZNBMMFIEGP-SECBINFHSA-N 314.301 2.224 0 40 DEAB CC(C)C(=O)Nc1cc(N2CCN(C)CC2)c(N)cc1Cl 45891808 CPPNXJHIJUVONO-UHFFFAOYSA-N 310.829 2.269 0 40 DEAB O=C(Nc1nncs1)NC1CCN(Cc2ccccc2)CC1 43130982 TWDMBSQAFDHQHI-UHFFFAOYSA-N 317.418 2.324 0 40 DEAB COc1cc(OC)cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 41194686 MQELSIARBHVHKV-HZPDHXFCSA-N 305.374 2.487 0 40 DEAB CCc1nnc(NC(=O)c2cn(C)nc2C(F)(F)F)s1 47196924 NPPQVPSVTHWMBO-UHFFFAOYSA-N 305.285 2.105 0 40 DEAB COc1ccnc(NC2CCN(Cc3cncs3)CC2)n1 191692904 PYHASSRFBUUKOB-UHFFFAOYSA-N 305.407 2.018 0 40 DEAB C[C@H]1OCC[C@H]1S(=O)(=O)NCCc1c(F)cccc1Cl 195574542 GGZBGUYDVMYRGH-NOZJJQNGSA-N 321.801 2.118 0 40 DEAB COC1(C(=O)Nc2ccc(OCC(N)=O)cc2)CCC(C)CC1 225639967 NUIGLQUSIVWWBD-UHFFFAOYSA-N 320.389 2.085 0 40 DEAB CC(C)[C@H](O)CC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C 195565096 YLUPYHREGRSTFZ-BHYGNILZSA-N 304.434 2.030 0 40 DEAB CCN(CC)[C@H]1CCO[C@]2(CCN(c3ncc(F)cn3)C2)C1 96208153 ASYWZJWGNDAVCL-GOEBONIOSA-N 308.401 2.085 0 40 DEAB COc1cc2ccn(CCOC[C@H]3CCCO3)c(=O)c2cc1F 96501125 VQKQDIHKJZHDDR-CYBMUJFWSA-N 321.348 2.345 0 40 DEAB Cc1ccc(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)c(N(C)C)n1 96484541 LRFDOOBORWKLDZ-OCCSQVGLSA-N 306.410 2.081 0 40 DEAB CC(C)N(CCO)C(=O)Nc1cnn(Cc2ccccc2)c1 97375001 SQMHIUMLLUNPHH-UHFFFAOYSA-N 302.378 2.166 0 40 DEAB Cc1nc(N2CCCC2)nc2c1CN(C(=O)CC1CC1)CC2 96253842 SMEBQHFZIQRJKT-UHFFFAOYSA-N 300.406 2.070 0 40 DEAB CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)O1 96061124 OKKXLPVREXMJCF-AWEZNQCLSA-N 308.447 2.350 0 40 DEAB COC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccc(C)nc1)C2 96039027 CETQSEPNYYXPNU-RDJZCZTQSA-N 304.390 2.048 0 40 DEAB Fc1cnc(N2C[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)nc1 96161692 PHRVARBDUNENEB-OKILXGFUSA-N 316.355 2.323 0 40 DEAB CO[C@H]1CCN(C(=O)c2ccncn2)C[C@@H]1Cc1ccccc1 96110493 HPPDBDITWBLLCW-RDJZCZTQSA-N 311.385 2.196 0 40 DEAB CN(CCCNC(=O)N1C[C@H]2CC=CC[C@H]2C1)C(=O)C1CCC1 96440590 BAICABUWTCYYSU-IYBDPMFKSA-N 319.449 2.243 0 40 DEAB CC(C)(C)NCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 96437215 OULQMMWJXJZMFI-ZIAGYGMSSA-N 318.417 2.066 0 40 DEAB CC[C@](Br)(C(=O)c1ccccc1)S(C)(=O)=O 96518661 WWSXSFLLPIJCEO-LLVKDONJSA-N 305.193 2.415 0 40 DEAB O=C1CCCCN1CC(=O)N(Cc1ccccc1)CC(F)F 96432654 MXZOTJQNMLAYOH-UHFFFAOYSA-N 310.344 2.293 0 40 DEAB 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0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 110702751 PAWIKOFNWSFJGP-SGIREYDYSA-N 307.390 2.149 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)c2scnc2C)cc1F 59007966 WCIBNCDLMUPZKL-UHFFFAOYSA-N 321.377 2.059 0 40 DEAB Cc1oc(CNC(=O)c2ccc(OC(C)C)nc2)cc1C(=O)O 95425175 WYDQVEAINVTQGA-UHFFFAOYSA-N 318.329 2.398 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2cn(C)nc2C)c2c(C)noc2n1 36613747 SPGKLJKITBJJPO-SECBINFHSA-N 313.361 2.373 0 40 DEAB O=C(N[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1)c1cccs1 11661323 ZDQXOBRROBJLAM-CYBMUJFWSA-N 318.373 2.418 0 40 DEAB CCc1n[nH]c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)n1 11714646 IEHHBWHFEPYEIR-UHFFFAOYSA-N 322.390 2.074 0 40 DEAB C[C@H](C(=O)NCCCCc1cnn(C)c1)N1CCCCCC1 95404222 WRSMPFCRSDXQHJ-OAHLLOKOSA-N 306.454 2.124 0 40 DEAB c1ccc(CNC[C@@H](c2cccs2)N2CCOCC2)nc1 61012621 OLOMVPRNEXNRNV-HNNXBMFYSA-N 303.431 2.306 0 40 DEAB CCOC(=O)[C@@H]1CCCN([C@@H](C)C(=O)NCc2cccs2)C1 12776424 PVCDTUDWWYONGC-QWHCGFSZSA-N 324.446 2.028 0 40 DEAB Cc1ccc(Oc2ccc3nnnn3n2)c(Br)c1 12891902 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313.313 2.098 0 40 DEAB O=C(NC1CC1)c1ccc(NCc2ccc3c(c2)OCO3)nc1 70020059 LJNUCKMFFSXHNR-UHFFFAOYSA-N 311.341 2.315 0 40 DEAB COc1ccccc1-c1noc(CN[C@@H](C)Cn2cccn2)n1 69393337 JARJMENNXSZDCF-LBPRGKRZSA-N 313.361 2.120 0 40 DEAB C[C@@H](N)[C@H]1CCCN(C(=O)c2cncc(Br)c2)C1 70173157 XSJGOVNXORKRRQ-ZJUUUORDSA-N 312.211 2.044 0 40 DEAB COCCSCC(=O)Nc1ccnn1CCc1ccccc1 69455940 GYZLLWZELQXMJF-UHFFFAOYSA-N 319.430 2.444 0 40 DEAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2OC)C1 69518278 UNQLTWNYOMJGRM-CQSZACIVSA-N 318.417 2.464 0 40 DEAB O=C(NCCOc1ccc(F)c(F)c1)Nc1nncs1 69844401 ZVERJJKBIWNJJN-UHFFFAOYSA-N 300.290 2.017 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCC[C@H](n2ccnc2)C1 69840774 JYJLACIVNOVFDK-ZDUSSCGKSA-N 310.357 2.431 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)Cc2n[nH]c(=O)c3ccccc23)[C@@H]1C 8946129 BPBRHVSSCFFXRK-LALPHHSUSA-N 313.401 2.407 0 40 DEAB COC(=O)CN1CCC(Nc2cccc(N3CCCC3)c2)CC1 97085085 FJCLNHXSCBLWAY-UHFFFAOYSA-N 317.433 2.336 0 40 DEAB Cc1ccc(O)c(CN[C@H](C[S@@](C)=O)c2ccccc2)n1 97058960 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BVJKECQFZZAYJK-UHFFFAOYSA-N 307.390 2.483 0 40 DEAB CN1CCN([C@H](Cc2cccc(Cl)c2Cl)C(=O)O)CC1 225145704 ULTXYFUOXVDGGB-GFCCVEGCSA-N 317.216 2.237 0 40 DEAB CN1C(=O)[C@@](O)(c2coc3ccccc3c2=O)c2ccccc21 96137019 RZJCHNRSWKOHLN-SFHVURJKSA-N 307.305 2.005 0 40 DEAB Cc1cccc(CO[C@@H]2CO[C@@]3(CCN(C(=O)C4CC4)C3)C2)n1 96110875 MVRLMWWEYLELJL-WMZOPIPTSA-N 316.401 2.077 0 40 DEAB Cc1cccc(NC(=O)CN(CCO)Cc2cccnc2)c1C 96476121 RPKIZPCAEJNDMY-UHFFFAOYSA-N 313.401 2.131 0 40 DEAB CCc1nnc2n1C[C@@H](NC(=O)c1ccc3c(c1)CCC3)CC2 97199124 VNHGIKUWLCTHLC-HNNXBMFYSA-N 310.401 2.074 0 40 DEAB COC(=O)C[C@@H]1CN(Cc2ccccc2C(F)(F)F)CCO1 96455373 MZQXCSMFDASPAM-GFCCVEGCSA-N 317.307 2.469 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(c3ccccc3)C(=O)[C@@H]2C1 96053585 RRAJQHQFHATRPL-WMLDXEAASA-N 311.385 2.386 0 40 DEAB Cc1cccc(C(=O)N2CCc3ncnc(C4CC4)c3CC2)n1 96255107 ZJGWDBSRGSANQO-UHFFFAOYSA-N 308.385 2.298 0 40 DEAB CNCc1nc(C)c2c(n1)N(Cc1ccc(F)cc1)C(=O)CC2 257222470 DTKULKAJVLVRSW-UHFFFAOYSA-N 314.364 2.123 0 40 DEAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NCC(=O)N(C)C 257173015 AEASXTWUOQCROB-UHFFFAOYSA-N 315.348 2.014 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cnccn1 257247733 JAFPDXMNJWNFQW-OAHLLOKOSA-N 303.387 2.144 0 40 DEAB COc1ccc(C2(CNC(=O)N3CCNC3=O)CCCC2)cc1 96120250 DBABISWELXSVRC-UHFFFAOYSA-N 317.389 2.242 0 40 DEAB CCCCCNC(=O)C(=O)NCc1ccc(OC(C)C)cc1 298114628 QZJXXBDMKDUDGK-UHFFFAOYSA-N 306.406 2.396 0 40 DEAB CC(C)C(=O)N1CC2(C[C@@H](OCc3ccncc3)CCO2)C1 575404587 NVUVFDXOMBYNDL-HNNXBMFYSA-N 304.390 2.014 0 40 DEAB c1cnc(OC[C@H]2CCn3nccc3CN2CC2CCC2)cn1 585097248 JDIUHPIAFILUBP-MRXNPFEDSA-N 313.405 2.127 0 40 DEAB Cc1ccc(NC(=O)NCc2cccs2)cc1-n1cnnn1 44246698 FQLDGXRAIZHXCJ-UHFFFAOYSA-N 314.374 2.354 0 40 DEAB COCc1nc(C)cc(Nc2ccc3c(c2)oc(=O)n3C)n1 75049202 PENZALDTPZYZPJ-UHFFFAOYSA-N 300.318 2.120 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)[C@H](C)Oc1cccc(C)c1 42358649 ZLNJXBZNOCJRAZ-AWEZNQCLSA-N 306.406 2.135 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)c1c(C)nn(C)c1OC 95396444 JCBZAOGXAYGZML-SECBINFHSA-N 321.352 2.376 0 40 DEAB CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1c(F)cccc1F 5952748 LQVWUYXKYDJLHP-GFCCVEGCSA-N 312.341 2.321 0 40 DEAB CCC(=O)N1CCN(c2ccccc2NC(=O)C(C)C)CC1 14258607 QJZKULLMKMJMQG-UHFFFAOYSA-N 303.406 2.340 0 40 DEAB Cc1n[nH]c(C)c1CCc1cc(=O)[nH]c(N2CCC[C@@H](C)C2)n1 19578987 DLORGZJSQKXUIM-LLVKDONJSA-N 315.421 2.131 0 40 DEAB C[C@](O)(CNC(=O)c1cc(Br)cs1)C1CC1 206710871 KJBMQMNPWWYZEW-NSHDSACASA-N 304.209 2.401 0 40 DEAB COc1ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)c(OC)c1 28806139 FPJKYMWNFUFXER-SNVBAGLBSA-N 323.393 2.129 0 40 DEAB CN(C)c1ccc(N2C(=O)CN(Cc3ccccc3)CC2=O)cc1 1728785 WPQOJCRLKRSKGZ-UHFFFAOYSA-N 323.396 2.128 0 40 DEAB O=C(c1cccs1)N1CC[C@@H]2CN(Cc3cccnc3)C[C@@H]21 1565541987 RVQIRZFLDODAPX-CABCVRRESA-N 313.426 2.490 0 40 DEAB COc1ccc(N2C[C@@H](NC(=O)NCCC(C)C)CC2=O)cc1 4479565 BWNDTPVAHLAICD-ZDUSSCGKSA-N 319.405 2.146 0 40 DEAB O=S(=O)(NCc1nccnc1-c1ccoc1)c1cccs1 575621363 VYIOVZXQEFBQLE-UHFFFAOYSA-N 321.383 2.277 0 40 DEAB Nc1nc(Cl)cc(N[C@H]2CCN(Cc3ccccc3)C2)n1 40051228 XKGFTUBDUDIZRN-LBPRGKRZSA-N 303.797 2.399 0 40 DEAB CC(C)CCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O 100749916 WVPZWEYRCLHZRS-UHFFFAOYSA-N 303.358 2.376 0 40 DEAB biogenic CC(=O)NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F 20827631 MUQFOHDUJMSFNP-UHFFFAOYSA-N 315.217 2.128 0 40 DEAB O=C1C[C@H](C(=O)NCCc2ccccn2)c2ccc(F)cc2N1 32657316 JTGPNKXZURKZKZ-AWEZNQCLSA-N 313.332 2.005 0 40 DEAB CCCOc1ccc(OCCN2C(=O)NC(C)(C)C2=O)cc1 41099057 NNONMHPLEUHJOT-UHFFFAOYSA-N 306.362 2.185 0 40 DEAB O=C([C@@H]1COc2ccccc2O1)N1CCc2ccc(O)cc2C1 52865515 GDLXQXLZQCRXHI-KRWDZBQOSA-N 311.337 2.117 0 40 DEAB O=C1[C@@H](Cc2ccc(O)cc2)NC(=S)N1C1CCCCC1 509886 JAVDSTPLGDVLFT-CQSZACIVSA-N 304.415 2.353 0 40 DEAB O=C(NCCCNc1ncccn1)C1(c2ccc(F)cc2)CC1 53969731 DGJQDYKIFMZHHR-UHFFFAOYSA-N 314.364 2.266 0 40 DEAB COC[C@@H](C)NC(=O)CNc1ccc(Br)cc1 42221727 YLTHWRFMDCABNM-SECBINFHSA-N 301.184 2.012 0 40 DEAB Nn1c(SCCc2ccccn2)nnc1-c1cccs1 23138201 XMVXRNOGFZCFRG-UHFFFAOYSA-N 303.416 2.450 0 40 DEAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCSC1=O 81286 HHQWECCFOMGHDW-NSHDSACASA-N 302.355 2.412 0 40 DEAB COc1ccc(C(=O)NCC(=O)N(C)Cc2ccsc2)cc1 23957833 RLWILFWTCKTRLU-UHFFFAOYSA-N 318.398 2.145 0 40 DEAB CC(C)n1ncc2cc(C(=O)N3C[C@@H](N(C)C)[C@H](C)C3)cnc21 78895071 JNTOHUZGFXLOTC-IUODEOHRSA-N 315.421 2.034 0 40 DEAB NC(=O)NC1CCN(C(=O)Cc2cccc3ccccc23)CC1 78954550 HNFIDILOPUHYOB-UHFFFAOYSA-N 311.385 2.042 0 40 DEAB CCOC(=O)c1csc(N2N=C(C)C[C@@]2(O)C(F)(F)F)n1 1415774 ZKWMSPCAXAMMME-SNVBAGLBSA-N 323.296 2.157 0 40 DEAB CCOC(=O)[C@@H]1CCN(C(=O)c2ccccc2)[C@H](CC)C1=O 1662210 IUBQRHZMUBZXRZ-ZIAGYGMSSA-N 303.358 2.060 0 40 DEAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H]2C=CS(=O)(=O)C2)c1 1295404 RXRRZBFZWCDFHS-LLVKDONJSA-N 319.304 2.201 0 40 DEAB CCOC(=O)CNC(=O)c1ccc(COc2ccccc2)o1 6954713 OGGUURUZUPWYAB-UHFFFAOYSA-N 303.314 2.152 0 40 DEAB O=C(O)CCCNS(=O)(=O)c1c(Cl)cccc1Cl 1795959 BLPFFXGOTABICA-UHFFFAOYSA-N 312.174 2.137 0 40 DEAB Cc1ccc(Nc2nc(CN3CCNC(=O)C3)cs2)cc1 57761351 AWSNBEUIHHSSKI-UHFFFAOYSA-N 302.403 2.127 0 40 DEAB CC(=O)N[C@H](C(=O)Nc1cnc2c(cnn2C(C)C)c1)C(C)C 27023048 VHILREISAZNPEV-AWEZNQCLSA-N 317.393 2.111 0 40 DEAB CCNC(=O)[C@H]1CCCN(C(=O)N[C@@H](C)Cc2ccsc2)C1 57994642 MJZRTAXJDGOOOT-JSGCOSHPSA-N 323.462 2.237 0 40 DEAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1cccnc1)C1CC1 58068054 HKMXHOWMZPQXLR-UHFFFAOYSA-N 319.368 2.467 0 40 DEAB CN(C)C(=O)[C@@H](Sc1nc2ncccn2n1)c1ccccc1 10076654 FDDUUSNIJCLLFV-LBPRGKRZSA-N 313.386 2.046 0 40 DEAB CCC1(CNC(=O)NCC2CCS(=O)(=O)CC2)CCCC1 95440337 DORNCMTZWDGLLI-UHFFFAOYSA-N 316.467 2.081 0 40 DEAB CCOc1ccc(-c2noc(CN3CCC[C@@H](O)C3)n2)cc1 44871584 BPDAURTZOAXUBF-CYBMUJFWSA-N 303.362 2.092 0 40 DEAB O=C(COc1nc(-c2ccccc2Cl)no1)N1CCCC1 58292756 BSLWECQLOCUOCU-UHFFFAOYSA-N 307.737 2.391 0 40 DEAB COCCN(Cc1nc(=O)c2ccccc2[nH]1)[C@H](C)C1CC1 58229100 QOLWQDFMICZTBF-GFCCVEGCSA-N 301.390 2.170 0 40 DEAB NC(=O)NC(=O)CCN(CCc1ccccc1)C1CCCC1 58281036 XCQPOEYJHFGABN-UHFFFAOYSA-N 303.406 2.059 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)c1ccc(N2CCNC2=O)cc1 44913047 OYCKNXXFGLHUBG-GFCCVEGCSA-N 313.357 2.170 0 40 DEAB O=C(CN(C[C@H]1CCOC1)C1CC1)N1CCc2sccc2C1 44937966 OSNXDINXCZDCHE-CYBMUJFWSA-N 320.458 2.134 0 40 DEAB COc1ccc(-n2c(=S)[nH]cc(C(=O)O)c2=O)cc1Cl 20156311 NNWYVUJVPAFXNT-UHFFFAOYSA-N 312.734 2.255 0 40 DEAB CN(C)CCn1cc(NC(=O)C(C)(C)c2ccccc2)cn1 58356749 VOQWNIJKMRAUEM-UHFFFAOYSA-N 300.406 2.361 0 40 DEAB O=C(CN1CCN(c2cc(F)cc(F)c2)CC1)NC1CCCC1 58381451 BEOTWAYCWSNFEJ-UHFFFAOYSA-N 323.387 2.146 0 40 DEAB O=C(CCNc1ncccn1)NCCc1cccc2cccnc12 45059592 UUHOHZMSXJYEOL-UHFFFAOYSA-N 321.384 2.186 0 40 DEAB COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1 2764403 RMPSJOOCOWGKTA-UHFFFAOYSA-N 319.386 2.414 0 40 DEAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C[C@@H]2CCOC2)CC1 102746468 DMOBZOAUYMWGLK-LUKYLMHMSA-N 320.477 2.430 0 40 DEAB CC[C@@H]1c2ccsc2CCN1CCC(=O)N1CCOCC1 47923092 HBJOGZOKBXRCGD-CQSZACIVSA-N 308.447 2.306 0 40 DEAB C[C@@H]1CCCCN1CCNC(=O)c1ccn(-c2ccccc2)n1 47144244 CBNCMYJHYPOORD-OAHLLOKOSA-N 312.417 2.477 0 40 DEAB COc1ccccc1CNC(=O)c1nc(-c2ccccn2)no1 12390871 LQKFREUUWXAJAY-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB CCOC(=O)c1ccc2c(c1)nc(SCC(=O)NC)n2CC 12660950 ANTXRCVDLNHBHU-UHFFFAOYSA-N 321.402 2.071 0 40 DEAB C[C@@H](NC(=O)C1CCN(C(=O)NCc2ccco2)CC1)C1CC1 48279531 HXOYNPFAAKLKMQ-GFCCVEGCSA-N 319.405 2.116 0 40 DEAB COc1cc(NC(=O)CSc2nncs2)cc(OC)c1 3407005 KLGJSLSJQXNNEO-UHFFFAOYSA-N 311.388 2.286 0 40 DEAB Cn1cc(CCCCNC(=O)N2CCOC3(CCCC3)C2)cn1 95421846 GAFSTNYROGWHGC-UHFFFAOYSA-N 320.437 2.097 0 40 DEAB CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)NCc1ccnn1C 95424293 UAHZBWXKGKYNEW-KBPBESRZSA-N 308.426 2.155 0 40 DEAB O=c1cc(COc2ccc3c(c2)OCO3)nc2sccn12 12914107 CKIGXCPGIARQEM-UHFFFAOYSA-N 302.311 2.064 0 40 DEAB Cc1c(CCC(=O)NC2CC2)c(=O)oc2c(C)c(O)ccc12 4088198 JRYNNKSSMKSHIQ-UHFFFAOYSA-N 301.342 2.327 0 40 DEAB biogenic Cc1cc(C)cc(Nc2nc(NCCO)c3cnn(C)c3n2)c1 4272776 GFBWLGDGRFIYNY-UHFFFAOYSA-N 312.377 2.128 0 40 DEAB C[C@@H](NC(=O)c1nccnc1N)c1ccccc1Br 14061248 YULPXKSJESXTBJ-MRVPVSSYSA-N 321.178 2.312 0 40 DEAB COCCOc1ncccc1CNC(=O)Cc1cccc(C)c1 65621545 XMTCLFSZQGBTAY-UHFFFAOYSA-N 314.385 2.274 0 40 DEAB O=c1c(-c2ccccc2)nnc2sc(-c3cccnc3)nn12 6661764 IRNVDAFMGIAWEA-UHFFFAOYSA-N 307.338 2.275 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1nc2ccccc2o1 15027875 HDYFAXLUGOCJHK-HNNXBMFYSA-N 307.353 2.240 0 40 DEAB COc1ccccc1C(=O)NCCc1n[nH]c(-c2ccccc2)n1 64969218 HJMWBRBUCFJUQY-UHFFFAOYSA-N 322.368 2.453 0 40 DEAB O=c1[nH]c2sc3c(c2c2nc(-c4ccc(O)cc4)nn12)CCC3 9484196 WJQNEDIAIYHHLE-UHFFFAOYSA-N 324.365 2.494 0 40 DEAB C[C@@H](NC1CCC(NS(C)(=O)=O)CC1)c1ccccc1F 90081927 WIVUMROGBWXIAC-PNESKVBLSA-N 314.426 2.337 0 40 DEAB Cc1cc(C)c(CNC(=O)CCc2ccccc2F)c(=O)[nH]1 7118608 RZRVEAJSZGMQEZ-UHFFFAOYSA-N 302.349 2.380 0 40 DEAB O=C1CC[C@@H](NC(=O)Nc2cc(-c3ccccc3)ns2)CN1 96447184 AOFNENBDRCBQSV-LLVKDONJSA-N 316.386 2.210 0 40 DEAB CCc1ccc([C@@H](C)N[C@H]2CCc3nc(COC)nn3C2)o1 90395670 OZFRWXUHTNHFKC-NEPJUHHUSA-N 304.394 2.246 0 40 DEAB CC(=O)NCCSc1nnnn1-c1ccc(C(C)C)cc1 7560194 MBXWVPKQTUNXNN-UHFFFAOYSA-N 305.407 2.014 0 40 DEAB CN(C)c1ccccc1NC(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 89326818 IIDYRHDTORMVSK-UKRRQHHQSA-N 316.405 2.028 0 40 DEAB CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(C)=O 408555221 FJSIBWCCYXRTRT-UHFFFAOYSA-N 314.407 2.121 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)COC2CCCC2)n1 71870210 FVQTYPLDTCRUEV-OAHLLOKOSA-N 305.422 2.450 0 40 DEAB Cc1cccn2cc(CNC(=O)[C@@H]3Cc4ccccc4O3)nc12 71893402 KMHVPLSQFOYFJG-INIZCTEOSA-N 307.353 2.263 0 40 DEAB COCCN1CCC[C@H]1CNC(=O)Cc1ccccc1Cl 69483959 LXABTXWPPSPVAE-AWEZNQCLSA-N 310.825 2.110 0 40 DEAB COC(=O)[C@@](C)(COc1ccccc1)NC(=O)c1ccoc1 69419449 DNJUNVCYOUNUQA-MRXNPFEDSA-N 303.314 2.020 0 40 DEAB CC(C)(C)n1cc(CN[C@H]2CCCN(c3cccnn3)C2)cn1 69738338 UBQYGTKTQUENTJ-HNNXBMFYSA-N 314.437 2.187 0 40 DEAB Cc1cnc(CN2CCN(c3nc(C)cs3)[C@H](C)C2)cn1 69967054 WYNSFIXVCRCWIG-CYBMUJFWSA-N 303.435 2.261 0 40 DEAB NC(=O)[C@@H]1CN(Cc2ccc(-c3ccc(F)cc3)s2)CCO1 92734791 KXMAIGIECOGBLT-AWEZNQCLSA-N 320.389 2.240 0 40 DEAB CC(C)C[C@@H](N[C@@H]1CCSC1)c1nc(-c2nc[nH]n2)no1 97038901 LQNMUGQTVJCIAT-NXEZZACHSA-N 308.411 2.037 0 40 DEAB Cc1ccnc2c1NC(=O)CN2C(=O)c1ccc(Cl)cn1 97035188 JSXPOEFESSEWDL-UHFFFAOYSA-N 302.721 2.037 0 40 DEAB COc1cccc(F)c1[C@@H](C)NCC(=O)Nc1c(C)n[nH]c1C 97033547 BMRRCBKPODUPCP-SECBINFHSA-N 320.368 2.464 0 40 DEAB C[S@](=O)CCNCc1ccccc1OCc1cccnc1 72286927 NWOGSWQCLRXYNG-OAQYLSRUSA-N 304.415 2.129 0 40 DEAB Cc1ccccc1CS(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1O 84243986 KPCHXQTVZPIJBR-IRXDYDNUSA-N 317.410 2.073 0 40 DEAB O=C(NC[C@H]1Cc2ccccc21)c1ccnc(O[C@@H]2CCOC2)c1 97112449 AHQQCNFSZPUJKM-HZPDHXFCSA-N 324.380 2.319 0 40 DEAB CN(C)c1ncnc2c1CN(c1ncnc3sccc13)CC2 97202108 RQQPRNFGBNFHGE-UHFFFAOYSA-N 312.402 2.110 0 40 DEAB Cc1noc(COC(=O)c2ccccc2-c2nnc(C)o2)n1 97236056 SNLYDPCQXVBJBO-UHFFFAOYSA-N 300.274 2.093 0 40 DEAB CC(C)Cn1cnc(S(=O)(=O)Nc2cc(F)ccc2O)c1 95965636 NOWDRSZILSBEFC-UHFFFAOYSA-N 313.354 2.185 0 40 DEAB CC(C)CC1(CNC(=O)NCc2nnc3n2CCC3)CCC1 89821095 VCUBJFZZAKPAFR-UHFFFAOYSA-N 305.426 2.240 0 40 DEAB O=C(CN1CCC[C@H]1C[C@H](O)c1ccccc1)NCC1CCC1 76108101 CRKKRXWKDUHPPZ-ROUUACIJSA-N 316.445 2.491 0 40 DEAB CC1=NN(C(=O)C(C)C)[C@@](O)(C(F)(F)OC(F)(F)F)C1 409177966 JWWJVVATZDJNNQ-QMMMGPOBSA-N 304.215 2.068 0 40 DEAB COc1ccc(SCC(=O)NC[C@@H]2CCCO2)cc1OC 20035949 YOFOSEJKZDRTCX-NSHDSACASA-N 311.403 2.091 0 40 DEAB CN1C(=O)C[C@@H](C(=O)Nc2nccs2)[C@H]1c1cccc(F)c1 61718954 JYEDBOYQUWNPAY-DGCLKSJQSA-N 319.361 2.440 0 40 DEAB O=C1C=C(Nc2ccc(O)c(NC(=O)C3CCCCC3)c2)CN1 524732641 GHCSHIAGGJGZLL-UHFFFAOYSA-N 315.373 2.337 0 40 DEAB Cc1cc(N)nc(N2CCN(c3ccccc3Cl)CC2)n1 75172833 BGDGTZUODYHRIZ-UHFFFAOYSA-N 303.797 2.347 0 40 DEAB CC(C)(C)S(=O)(=O)CCNC(=O)Cc1ccc(Cl)cc1 79052017 PXHAHOFXOCTYEU-UHFFFAOYSA-N 317.838 2.212 0 40 DEAB O=C(Nc1cccc2nsnc12)[C@H]1COc2ccccc2O1 35672865 WZJUFHWMJZCRGE-CYBMUJFWSA-N 313.338 2.470 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CCNC[C@H]1c1ccccc1 313345670 GYXWEQJLLXIHCK-KRWDZBQOSA-N 306.369 2.350 0 40 DEAB CC(C)OC(=O)[C@@H]1CCCN1Cc1nnc(-c2ccco2)o1 72665876 UQQNCWYVGYXUFQ-NSHDSACASA-N 305.334 2.246 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CCc3ccccc3C2)c(=O)n1C 566303316 GTJUJSLNSKQOGI-MRXNPFEDSA-N 310.397 2.115 0 40 DEAB Cc1cc(C(=O)N[C@H](CC(C)C)C(=O)Nc2cc[nH]n2)c(C)o1 80323441 ITYGLKDCEZRYNN-CYBMUJFWSA-N 318.377 2.403 0 40 DEAB O=C(NCCCN1CCCCC1)c1ccc2c(c1)OCCO2 225400160 MGFWKCVSXOTZOK-UHFFFAOYSA-N 304.390 2.064 0 40 DEAB CCc1nc(NCCC(=O)NC(C)C)c2c(n1)c(C)nn2CC 226688166 BQOLEXFZMVHKIN-UHFFFAOYSA-N 318.425 2.044 0 40 DEAB COCc1nc(C(=O)N[C@@H](c2nccs2)C(F)(F)F)co1 573035946 KFQKXVMBEOOCQG-QMMMGPOBSA-N 321.280 2.311 0 40 DEAB COc1ccccc1O[C@@H](C)CNC(=O)[C@@H](C)n1ccnc1 81098901 QBZAEHACKFRWAP-QWHCGFSZSA-N 303.362 2.036 0 40 DEAB CC(C)c1nnc([C@@H]2C[C@H]3CN(c4ncc(F)cn4)C[C@H]3O2)o1 96045813 XMCJHGWOHMLIAM-ZMLRMANQSA-N 319.340 2.089 0 40 DEAB CCCS(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 96428259 XTDLBJBUBDSQDX-JSGCOSHPSA-N 316.492 2.460 0 40 DEAB Cc1ccccc1CN1CC[C@H]2C[C@H](C(=O)N(C)C)O[C@@H]2C1 97953801 NEVOQVPCNHNNTH-USXIJHARSA-N 302.418 2.063 0 40 DEAB CC(C)NC(=O)N1CCC[C@]2(C[C@H](Nc3nccs3)CO2)C1 96223371 PCZLUJIBESCDCX-WFASDCNBSA-N 324.450 2.297 0 40 DEAB COCCN(C)C(=O)NC[C@@H]1CCCc2cc(OC)ccc21 96503223 PNYCWEKUBIADFV-AWEZNQCLSA-N 306.406 2.403 0 40 DEAB c1ccc(C[C@H](CN2CCOCC2)N[C@@H]2CCSC2)cc1 96477476 AIKYDCFRVJCOGT-IAGOWNOFSA-N 306.475 2.025 0 40 DEAB c1csc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)c1 96072749 HGXPZIRZDGMRHM-XJKSGUPXSA-N 316.430 2.384 0 40 DEAB O=C(c1ccccn1)N1CCC2(CC1)C(=O)Nc1ccccc12 96052484 ZRXXRJRDWFHGNG-UHFFFAOYSA-N 307.353 2.208 0 40 DEAB CN(C(=O)CC(F)(F)F)[C@@H]1CCN(c2ccccc2F)C1=O 96405729 QOABHRBVWNEGKP-LLVKDONJSA-N 318.270 2.342 0 40 DEAB COc1cc(F)c(NC(=O)N[C@@H](CCO)C2CC2)cc1F 96466949 WBVLNQHUKJNPCZ-NSHDSACASA-N 300.305 2.256 0 40 DEAB CNC[C@@H]1CCCN1S(=O)(=O)c1cc(C)ccc1Cl 97234990 SNKVKCZJTXALRQ-NSHDSACASA-N 302.827 2.021 0 40 DEAB Cn1cccc1C(=O)N1CC2(C[C@H](OCC3CC3)CS2)C1 248165099 ZMIWDIRVBVCHSF-ZDUSSCGKSA-N 306.431 2.152 0 40 DEAB CN(C)c1cc([C@@H]2CCCN2C(=O)C2CCOCC2)ccn1 257205013 AXFWKKXARVDIMQ-HNNXBMFYSA-N 303.406 2.238 0 40 DEAB CN(C(=O)CCc1cccs1)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O 257276281 NTCBGIHVMFQJOT-BFYDXBDKSA-N 322.474 2.127 0 40 DEAB Cc1nccc([C@H]2CN(C(=O)CCc3cccs3)CCO2)n1 257321063 VZXWYJHSAJEVGV-OAHLLOKOSA-N 317.414 2.379 0 40 DEAB COC(=O)[C@@H]1CCc2nnc([C@H](C)Oc3ccccc3F)n2C1 601044842 RWWYOKLEXZFBSH-WDEREUQCSA-N 319.336 2.293 0 40 DEAB O=C(O)C[C@H]1CCCN1C(=O)c1cc(F)cc2cccnc12 262965548 OEPCHHNTXFKXGE-GFCCVEGCSA-N 302.305 2.453 0 40 DEAB Cc1nccc([C@@H]2CCCN(Cc3ncnn3C(C)C)C2)n1 585079616 PYOWWKGMKGNNPR-CQSZACIVSA-N 300.410 2.337 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(c2nccs2)CC1 44894418 INDLHGWABVXKMP-KBPBESRZSA-N 322.478 2.055 0 40 DEAB COCCCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1O 75092770 JLFNVPJWLYBFCF-UHFFFAOYSA-N 323.780 2.340 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1CC(=O)N[C@@H](C)C1CC1 75133119 NHSLQFXTHCLIRK-XHDPSFHLSA-N 304.438 2.089 0 40 DEAB CCc1nc(CN2CCN(Cc3ccccn3)CC2)cs1 42643349 HHUHFISTVYTGPQ-UHFFFAOYSA-N 302.447 2.418 0 40 DEAB Clc1ccc2oc(-c3cnc(Nn4cnnc4)nc3)nc2c1 5582982 IEZQMKJGFZNEKJ-UHFFFAOYSA-N 313.708 2.405 0 40 DEAB COc1ccc(OC)c2c1cc(C(=O)N[C@@H]1CCCOC1)n2C 12148330 IAQFRDOOKJJGTM-LLVKDONJSA-N 318.373 2.104 0 40 DEAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(F)c2)n2nnnc2N1 15080050 VRUBRUPLSFJOPI-ZDUSSCGKSA-N 317.324 2.053 0 40 DEAB COC(=O)CC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 15782970 QRKZVTSVPKOTEG-ZDUSSCGKSA-N 321.373 2.255 0 40 DEAB COCCOc1cccc(C(=O)N(C)[C@@H](C)c2nc(C)no2)c1 563372811 VPQVJSLQZNBPBY-NSHDSACASA-N 319.361 2.236 0 40 DEAB CNC(=O)[C@@H]1CN(Cc2cn(C(C)C)c3ccccc23)CCO1 19747364 FZBNBVHXFKREAL-KRWDZBQOSA-N 315.417 2.169 0 40 DEAB CCOc1ccc(CC(=O)NCc2c(C)cc(C)[nH]c2=O)cc1 9745629 LIOSIOHZXPKAOX-UHFFFAOYSA-N 314.385 2.249 0 40 DEAB COC(=O)c1cccc(NC(=O)CCn2c(C)csc2=O)c1 10026015 QADNUCDUCRXDNO-UHFFFAOYSA-N 320.370 2.034 0 40 DEAB Cc1cc(C)c2ccc(=NC3CN(c4ccccn4)C3)[nH]c2n1 1889201616 VJAPSNXAIYGXRG-UHFFFAOYSA-N 305.385 2.364 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)C[C@@H]1C=CCC1 14372056 QWBHBSSYVPDSHZ-SNVBAGLBSA-N 303.387 2.299 0 40 DEAB O=C(c1ccsc1)N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21 1075526846 KEVBMSYIWAFPBA-GOEBONIOSA-N 313.426 2.490 0 40 DEAB Cc1ccc(CS(=O)(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 10063840 RAQOMNHQTRNJFX-UHFFFAOYSA-N 316.382 2.432 0 40 DEAB O=C(NC1CCN(C[C@@H](O)c2ccccc2Cl)CC1)C1CC1 40120376 QAPJFPNKPRMLAG-MRXNPFEDSA-N 322.836 2.364 0 40 DEAB CC[C@H](NC(=O)CN1CCSC1=O)c1ccccc1OC 40514170 BVHOSWOFQZSDLJ-LBPRGKRZSA-N 308.403 2.431 0 40 DEAB O=C1C[C@@H](N(O)c2ccccc2)C(=O)N1c1ccc(F)cc1 101027839 UCWJWTGNWUWBIX-CQSZACIVSA-N 300.289 2.353 0 40 DEAB O=C(Nc1ccc(N2CCOCC2)cn1)C1[C@@H]2CCCC[C@@H]12 101401278 KVUXHICOQHNUJS-ZIAGYGMSSA-N 301.390 2.293 0 40 DEAB COc1ccc(N2C(=O)C[C@@H](N(C)c3ccccc3)C2=O)cc1 520817 BKTCWIKIYARZJD-MRXNPFEDSA-N 310.353 2.464 0 40 DEAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccn1 535865 KTJAIGFOTSZIQV-UHFFFAOYSA-N 317.370 2.226 0 40 DEAB Cc1csc(N2CCN(Cc3noc(C4CC4)n3)CC2)n1 53608733 CTLPVJRCBCJAEA-UHFFFAOYSA-N 305.407 2.034 0 40 DEAB O=C(NCC[C@H]1CCCO1)c1ccc(N2CCCC2=O)cc1 23875955 LLEQJWBCEXSNAE-OAHLLOKOSA-N 302.374 2.112 0 40 DEAB CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(C)C)ccc21 428751 RYKRGDRRMMLQLN-UHFFFAOYSA-N 324.446 2.310 0 40 DEAB C[C@@H](CNC(=O)NCCc1ccccn1)N1CCc2ccccc21 47635567 FNAOMIAQYBHEHI-HNNXBMFYSA-N 324.428 2.375 0 40 DEAB C[C@H]1Oc2ccc(NC(=O)c3cn4ccccc4n3)cc2NC1=O 24390233 FEKCAZHPJBTDPI-SNVBAGLBSA-N 322.324 2.306 0 40 DEAB C[C@@H](COc1cccc(F)c1)NC(=O)c1nccn2ccnc12 78030619 SRRUEPZYUSCCGH-NSHDSACASA-N 314.320 2.066 0 40 DEAB CCC(CC)NC(=O)[C@H]1CC(=O)C[C@@H]1C(=O)NC(CC)CC 79067383 XNSZALWGGPPYFC-GJZGRUSLSA-N 310.438 2.191 0 40 DEAB O=C(NCCN1CCCCC1)Nc1c[nH]c2ccccc2c1=O 4907393 SJJPVTVKZRSNFK-UHFFFAOYSA-N 314.389 2.136 0 40 DEAB CCCc1nnc2sc(NC(=O)c3cccc(OC)c3)nn12 6818125 ICWGRYMWSSCYSN-UHFFFAOYSA-N 317.374 2.399 0 40 DEAB CCN(CC)C(=O)CN1C(=O)S/C(=C\c2ccco2)C1=O 6948623 ZIJUKZPTTUQRNH-FLIBITNWSA-N 308.359 2.184 0 40 DEAB CC(C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 7804115 GTZSWXVZDMIRJW-ZDUSSCGKSA-N 324.446 2.245 0 40 DEAB CCOc1cccc2c1OCC(C(=O)OCc1cnn(C)c1)=C2 56229546 JKYVYXMWRMGZOT-UHFFFAOYSA-N 314.341 2.338 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)NCCc1ccccc1C 56330909 VZPWWPMBBDOAKR-AWEZNQCLSA-N 305.422 2.142 0 40 DEAB CCCN(C)C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O 84750217 LHAQGSQAFNVLEY-VOTSOKGWSA-N 302.378 2.187 0 40 DEAB CC(C)(C)OC(=O)NCCC(=O)Nc1nnc(C2CC2)s1 21292902 LAPLNJRLAGDHLG-UHFFFAOYSA-N 312.395 2.269 0 40 DEAB COc1cc(OC)c([C@@H](CN)N2CCC[C@H](C)C2)c(OC)c1 108349943 HURJVMTZXCIYKX-GXTWGEPZSA-N 308.422 2.444 0 40 DEAB COC[C@H](C)NC(=O)C1CCN(Cc2ccccc2C)CC1 9062977 SGDRJQOHPXKDCO-HNNXBMFYSA-N 304.434 2.358 0 40 DEAB CN1CCC[C@H](NC(=O)c2cccnc2Oc2cccnc2)C1 58391453 CXLTZPIEGUBWIG-ZDUSSCGKSA-N 312.373 2.093 0 40 DEAB Cc1nc(NC(=O)CNC(=O)Cc2cccc(F)c2)sc1C 45032557 QZRLCRCZOOSSPO-UHFFFAOYSA-N 321.377 2.196 0 40 DEAB O=C(c1cc(F)cc2[nH]cnc12)N1CCS[C@@H]2COCC[C@H]21 95427398 ZBYBZTPSMVTWRU-CHWSQXEVSA-N 321.377 2.049 0 40 DEAB NCCS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 2237237 KQJLDXLDKFKFNV-JTQLQIEISA-N 319.213 2.317 0 40 DEAB Cc1ccc(NCN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100395127 HGGBDSRGLYPJOH-NEMWNAMBSA-N 308.381 2.418 0 40 DEAB CCS(=O)(=O)Nc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 100405565 MCWVISRVZDGKFF-KYOSRNDESA-N 322.430 2.367 0 40 DEAB C[C@H](c1ccccc1F)N(C)Cc1nc(O)c2cnn(C)c2n1 95369376 UGSCFLJMRAPCIC-SNVBAGLBSA-N 315.352 2.401 0 40 DEAB CCCCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)NC1=S 105001209 BYXHZCBHUYGOOW-FLIBITNWSA-N 306.387 2.259 0 40 DEAB O=C(O)CCC(=O)c1ccc(I)cc1 2579888 KWWZSFSPTHZIBN-UHFFFAOYSA-N 304.083 2.339 0 40 DEAB COC(=O)c1ccc(CSc2nnnn2-c2ccccc2)o1 2649884 DJQLJGGRVFYZAV-UHFFFAOYSA-N 316.342 2.334 0 40 DEAB O=C(CCCc1c[nH]c2ccccc12)NCc1nnc2n1CCC2 48289348 WFOUFFNBGGQWJH-UHFFFAOYSA-N 323.400 2.345 0 40 DEAB C[C@@H](CS(C)(=O)=O)N(C(=O)C[C@H]1C[C@H]2CC[C@H]1C2)C1CC1 110591169 WDVPGJWUIOUAJW-XDQVBPFNSA-N 313.463 2.237 0 40 DEAB COc1ccc(C(=O)OCC(=O)N2CCCCCC2)c(OC)c1 3318678 LVQWILWVECZUOK-UHFFFAOYSA-N 321.373 2.263 0 40 DEAB CN1[C@H]2CC[C@H]1CC(N1CCN(CCOC(C)(C)C)CC1)C2 104378236 BAGDNYPMEIVQAV-HOTGVXAUSA-N 309.498 2.044 0 40 DEAB CS(=O)(=O)CC1(CNc2cc(C(F)(F)F)ccn2)CC1 95429684 GQTDMUJGGQALCR-UHFFFAOYSA-N 308.325 2.337 0 40 DEAB Cc1ccc(CNC(=O)COc2ccc(CC(=O)O)cc2)cc1 13420947 HEBXYZGEHKDFRN-UHFFFAOYSA-N 313.353 2.317 0 40 DEAB CCc1cc2c(=O)n(CC(=O)Nc3nccs3)cnc2s1 19649139 YAXWOELYXDFXCY-UHFFFAOYSA-N 320.399 2.116 0 40 DEAB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2C)C1=O 4060931 XAMGJFIALRERFN-NHYWBVRUSA-N 311.385 2.234 0 40 DEAB biogenic NC(=O)NC(=O)CCSCc1ccc(OC(F)F)cc1 49443784 LCSKWHWKXAWLOA-UHFFFAOYSA-N 304.318 2.106 0 40 DEAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ncc(Cl)n2C)cc1 95466116 ANZUUMJEJOAKCY-UHFFFAOYSA-N 320.780 2.304 0 40 DEAB C[C@H](NC(=O)N(Cc1ccccc1)CC(C)(C)O)[C@H]1CCOC1 95987567 QXBQIAWNEIHDNS-HOCLYGCPSA-N 320.433 2.394 0 40 DEAB Cc1nnc2n1C[C@@H](NC(=O)CCc1c[nH]c3ccccc13)CC2 65463349 WODUPSFEKQJRGX-AWEZNQCLSA-N 323.400 2.132 0 40 DEAB Cc1nn(-c2ccccc2)nc1C(=O)NCCOc1ccccc1 14117128 UQBZIFVBKUDPOR-UHFFFAOYSA-N 322.368 2.385 0 40 DEAB CCCCOCCCNCc1cccn1CCN1CCOCC1 4681323 LHRSTNSUPXCQEZ-UHFFFAOYSA-N 323.481 2.117 0 40 DEAB CC1(C)S[C@@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NC1CC1 5529120 TWAKTLJDZSDUQO-IUODEOHRSA-N 302.399 2.314 0 40 DEAB Cn1cnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)O)c1 4788842 BUAFHBTXXAKGBN-UHFFFAOYSA-N 316.361 2.312 0 40 DEAB CCCC[C@@H](CC)C(=O)NCc1ccc(S(N)(=O)=O)cc1 5793027 KOTGZMCWMFCJNW-CYBMUJFWSA-N 312.435 2.167 0 40 DEAB Cc1nc(C)c(CNC(=O)N[C@H](CO)Cc2ccccc2)s1 74665298 ZEDQNKOIXCEBPH-AWEZNQCLSA-N 319.430 2.163 0 40 DEAB O=C(N[C@@H](c1nccs1)C1CC1)N1CCN(C2CC2)CC1 74708319 QVFDTGOGFXVWKO-CYBMUJFWSA-N 306.435 2.084 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)Cc1cccc(OC)c1 67622642 FDCDOWIOQKIUOU-MRXNPFEDSA-N 318.417 2.097 0 40 DEAB CCCn1c(S[C@@H](C)C(=O)N(C(C)C)C(C)C)n[nH]c1=O 7364987 QXTREHUBSLWCCU-NSHDSACASA-N 314.455 2.107 0 40 DEAB CCc1n[nH]c([C@H]2CN(CCCOc3ccccc3)CCO2)n1 89289835 RXWYYCFRLWAUKV-OAHLLOKOSA-N 316.405 2.210 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]c2=O)C1 71827125 BNIDTKHPORAWFR-CYBMUJFWSA-N 300.358 2.169 0 40 DEAB Cc1cc(=O)oc(C)c1C(=O)OCC(=O)N(C)c1ccccc1 16313684 JYADOZHYFGLTMP-UHFFFAOYSA-N 315.325 2.076 0 40 DEAB C[C@H]1CN(c2ccnc(-c3ccccc3)n2)CCN1C[C@@H](C)O 71859504 CGQMUTQSLZOPMH-LSDHHAIUSA-N 312.417 2.035 0 40 DEAB COC(=O)c1cccc(COC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 71859331 GIPQSWZDWHYNNH-LSDHHAIUSA-N 314.341 2.054 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(F)ccc1F 71810935 UXYQQWNSGDWBOU-INIZCTEOSA-N 302.324 2.377 0 40 DEAB O=C(Nc1ncn(Cc2cccnc2)n1)c1cc(F)cc(F)c1 69349760 MJXLSITUXIWKOL-UHFFFAOYSA-N 315.283 2.252 0 40 DEAB CCc1csc(NC(=O)C2CCN(c3cnccn3)CC2)n1 69529720 NIIHFQNLFSDMSV-UHFFFAOYSA-N 317.418 2.351 0 40 DEAB O=S(=O)(N[C@@H]1CCN(CC2CC2)C1)c1ccccc1Cl 69619502 JGNDZQKUDAWVFW-GFCCVEGCSA-N 314.838 2.103 0 40 DEAB C[C@@H](NC(=O)Nc1cnc(C(C)(C)C)nc1)C(=O)NC(C)(C)C 69808747 GYHSCHUXUSJHJL-SNVBAGLBSA-N 321.425 2.199 0 40 DEAB Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H](CO)c1ccccc1 97020987 UTCQUFXQIQAOEZ-XHDPSFHLSA-N 317.389 2.428 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)c2cccc3c2OCO3)no1 72299654 NLPXFMICDFVOKH-LLVKDONJSA-N 315.329 2.338 0 40 DEAB COc1ccsc1C(=O)N1CCOC[C@@H]1c1c(C)n[nH]c1C 95980319 CXDKSNMTXQKEFN-LLVKDONJSA-N 321.402 2.310 0 40 DEAB Cc1cc(NC(=O)CN[C@@H](C)[C@@H]2COc3ccccc32)no1 97112655 IHWDAQDQJIKVRX-AAEUAGOBSA-N 301.346 2.076 0 40 DEAB CCc1ccc(CN2CCC(n3cc(C(=O)OC)nn3)CC2)o1 97139361 CMQXVNRFEOFZAR-UHFFFAOYSA-N 318.377 2.057 0 40 DEAB COCCn1nc(C)c(CNc2ccc3nccnc3n2)c1C 97197310 CXHFZNMHXZZBGY-UHFFFAOYSA-N 312.377 2.097 0 40 DEAB COC(=O)CCNC(=O)CCN1CCC[C@@H]1c1cccc(C)c1 89669434 LIMDAQRJGJAYEL-MRXNPFEDSA-N 318.417 2.201 0 40 DEAB O[C@@H]1Cc2ccccc2[C@H]1NCc1cnn(-c2ccccc2)n1 89857648 LBBZOTYHLIAJLQ-QZTJIDSGSA-N 306.369 2.015 0 40 DEAB O=C(CCN1CCSC1=O)NCc1nccc2ccccc12 89873278 PUEPUXYFPUMYRZ-UHFFFAOYSA-N 315.398 2.410 0 40 DEAB Cc1ccc(C(=O)NCCc2nnc3ccc(Cl)nn23)cc1 61966040 BABJGNVCLYNLGC-UHFFFAOYSA-N 315.764 2.059 0 40 DEAB C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 62914056 VOWWVOOUXYZSHR-GFCCVEGCSA-N 302.252 2.037 0 40 DEAB C[S@](=O)c1ccc(CNc2cccnc2-n2cncn2)cc1 128867836 UVYHUSHYXIYFHW-JOCHJYFZSA-N 313.386 2.012 0 40 DEAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1C[C@H](O)C2(CC2)C1 547656803 SJETXJKCDAFOAE-ZDUSSCGKSA-N 323.776 2.098 0 40 DEAB CCn1nc(C)c2nnn(Cc3c(F)cccc3Cl)c(=O)c21 72265375 CJCIBLLSLFMJDN-UHFFFAOYSA-N 321.743 2.157 0 40 DEAB CCn1c(Nc2ccccc2OC)nc2c(C)nn(C)c2c1=O 32651819 GEOPZONZVKMEJH-UHFFFAOYSA-N 313.361 2.211 0 40 DEAB CC(=O)N1CCCC[C@H]1c1cc(C(=O)NC2CCCC2)[nH]n1 72380457 KEPWQVLLRSJFDI-HNNXBMFYSA-N 304.394 2.156 0 40 DEAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CSCC(N)=O 79320824 HODCOSNHWJCRCT-HUUCEWRRSA-N 320.458 2.390 0 40 DEAB CC[C@@H]1c2ccccc2CCN1CCC(=O)N1CCOCC1 79311838 JKPLWDNNLPJTJD-QGZVFWFLSA-N 302.418 2.245 0 40 DEAB Cn1ccnc1COc1ccc(COC(=O)[C@H]2CCCO2)cc1 78406511 AFHPCIQOVZEECE-OAHLLOKOSA-N 316.357 2.221 0 40 DEAB CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CC2)C1 76378697 JWTOYOMCSVRTIT-LSDHHAIUSA-N 321.442 2.190 0 40 DEAB O=C(CN(C[C@@H]1CCCO1)C1CCCC1)NCc1cccnc1 75830925 YDPQKVKSFYCCNU-KRWDZBQOSA-N 317.433 2.121 0 40 DEAB CCc1ccc([C@H](C)NC(=O)c2nn(C)cc2C(=O)O)cc1 36615480 YZGGTDRZIQRXQK-JTQLQIEISA-N 301.346 2.172 0 40 DEAB Cc1cc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)n(C)n1 226747561 AWRMQZBTWCIFNP-CQSZACIVSA-N 304.375 2.312 0 40 DEAB OC[C@@H]1CCc2ccccc2[C@H]1NCCO[C@@H]1CCCCO1 225533141 CYTMOLJXGMPHCA-JQHSSLGASA-N 305.418 2.415 0 40 DEAB Cc1cccc(-n2nc(C(=O)C(C)(C)C)cc(C(=O)O)c2=O)c1 225967837 HKDUBAJUOHFZLI-UHFFFAOYSA-N 314.341 2.468 0 40 DEAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](CC)C(=O)NC 223458297 SGLSVGZQOPZEBS-OAHLLOKOSA-N 306.406 2.349 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1C 47652553 JBYFRWPYERHUOS-UHFFFAOYSA-N 322.361 2.295 0 40 DEAB CC(C)Cc1ncc(CNC(=O)NC[C@@H]2CC[C@@H](O)C2)s1 195578457 FFVKWPUQQXRSJK-VXGBXAGGSA-N 311.451 2.302 0 40 DEAB CCCn1ccc2ccc(NC(=O)CCS(C)(=O)=O)cc21 96439141 TVNJMJVQDUNBND-UHFFFAOYSA-N 308.403 2.425 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1cn(C)c3ccccc13)C2 97198735 QYDQISJLPGRYNR-HNNXBMFYSA-N 322.412 2.357 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)Cc1csc(-n2cccc2)n1 95476688 CPZCCNNSUMLHMO-CQSZACIVSA-N 318.446 2.077 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(=O)n(-c3ccccc3)c2)C[C@H](C)O1 96192090 XAIMLASTCXNTFS-KBPBESRZSA-N 312.369 2.087 0 40 DEAB CCc1n[nH]c(=O)c(C(=O)N2C[C@H]3CCCC[C@H]3C2)c1CC 96466424 RQMGBWFTLKOYLS-TXEJJXNPSA-N 303.406 2.157 0 40 DEAB CCCCc1nc(CNc2ccc3oc(=O)n(C)c3c2)no1 96427492 WFTOWJPKYCPKEW-UHFFFAOYSA-N 302.334 2.469 0 40 DEAB c1ccc(O[C@@H]2CO[C@@]3(CCN(Cc4csnn4)C3)C2)cc1 96072445 DLIRWSRVRFVMJO-HOTGVXAUSA-N 317.414 2.351 0 40 DEAB Cc1nnc(CN[C@@H](C)c2ccc(-n3cncn3)cc2)s1 96490790 NZJGUKKUXPLGCG-JTQLQIEISA-N 300.391 2.278 0 40 DEAB CC1(CCNC(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)OCCO1 248737493 PMWHIWSDOLOLOA-ARFHVFGLSA-N 316.401 2.167 0 40 DEAB Nc1nccnc1C[C@H]1CCCN(C(=O)c2cccs2)C1 257199704 AAOGXKKNBOVHQI-LLVKDONJSA-N 302.403 2.215 0 40 DEAB Cc1ccn(CCC(=O)N2CCC(Cc3ccncc3)CC2)n1 257245288 IOVNXQNHZZLVQS-UHFFFAOYSA-N 312.417 2.458 0 40 DEAB O=C(Nc1cc2ccccc2oc1=O)c1cnn2c1OCCC2 90583727 KBWGLDLGKJYRDM-UHFFFAOYSA-N 311.297 2.024 0 40 DEAB CO[C@@H](CNS(=O)(=O)c1cccnc1)c1ccc(C)s1 96104781 HBNYQMSONKRNCV-LBPRGKRZSA-N 312.416 2.118 0 40 DEAB Cc1c([C@@H](C)NC(=O)NCCC(N)=O)oc2ccc(F)cc12 69772261 DKPKFMYCEGFAIQ-SECBINFHSA-N 307.325 2.116 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3cccnc3)C2)no1 72231703 UBAODQBRSCREOT-RBSFLKMASA-N 312.373 2.283 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(-c2ccco2)on1 50274437 KDJHNDTZNIHCRL-HNNXBMFYSA-N 323.352 2.347 0 40 DEAB Fc1ccc(-c2cn3nc(N4CCOCC4)sc3n2)cc1 51113328 HXIYYMOHSQBBEP-UHFFFAOYSA-N 304.350 2.434 0 40 DEAB NC(=O)CC[C@@H]1CCCN(CC(=O)Nc2ccc(Cl)cc2)C1 58309103 VOBZFDRVCVNTAD-LBPRGKRZSA-N 323.824 2.256 0 40 DEAB CCCN(CC(=O)OC)S(=O)(=O)C1=Cc2ccccc2CC1 58914441 MCJLHDJYGIPDBJ-UHFFFAOYSA-N 323.414 2.189 0 40 DEAB COc1cc2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c2cc1OC 5302119 QMDYVGJKKKOZQO-QWRGUYRKSA-N 318.373 2.435 0 40 DEAB CC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC(N)=O 5771761 JOODZIWABRHGAW-UHFFFAOYSA-N 324.383 2.077 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc1 12526936 WJYWTLGLEVPPOU-OAHLLOKOSA-N 309.369 2.377 0 40 DEAB Cc1cc(O)nc([C@@H]2CCCN2C(=O)c2scnc2C)n1 19118157 OABVMBVZSCMLJI-JTQLQIEISA-N 304.375 2.233 0 40 DEAB CCNC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 13254284 YMDCXMYTQSTECG-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc2nncn2n1 1889186907 UVIKWNIAHASORE-UHFFFAOYSA-N 322.155 2.361 0 40 DEAB O=C(CC1(O)CCC1)N1CCc2ncnc(-c3ccccc3)c2C1 1565556484 UYMULARJOYVPDT-UHFFFAOYSA-N 323.396 2.333 0 40 DEAB Cc1ccc(-n2ncc3c(=O)n(Cc4cccnc4)cnc32)cc1 1330673 URQVXLDQNNLLOH-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB CN1C(=O)Cc2cc(NC(=O)COc3ccc(F)cc3)ccc21 16916339 ZOMAONOJRKKJPO-UHFFFAOYSA-N 314.316 2.362 0 40 DEAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)c1ccccc1 17191887 UCQZIHDARNGLIR-UHFFFAOYSA-N 319.364 2.340 0 40 DEAB c1csc(OC[C@@H]2CCCN(c3nccn4nccc34)C2)n1 2298212780 WBSDSTPPBHJCJT-GFCCVEGCSA-N 315.402 2.481 0 40 DEAB O=C(NCc1ccccn1)Nc1nnc(C(F)(F)F)s1 40526708 WCSMAAWAGDMCTR-UHFFFAOYSA-N 303.269 2.274 0 40 DEAB COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 20572421 NOFOPZAKUJBCJV-GHMZBOCLSA-N 312.797 2.396 0 40 DEAB CCCc1sc(C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1CC 32784432 KVDIZEOLGFXNJI-LLVKDONJSA-N 315.460 2.180 0 40 DEAB CCOc1ccc(NC(=O)c2c(C)c(C)n[nH]c2=O)cc1OC 32833385 WHMAEDDMNAIIAV-UHFFFAOYSA-N 317.345 2.046 0 40 DEAB Cc1ccc(C(=O)Nc2cccc(OCC(N)=O)c2)c(Cl)n1 32932284 QQXLUWVKSJJPDH-UHFFFAOYSA-N 319.748 2.160 0 40 DEAB O=c1c2ccsc2ncn1C[C@H](O)COc1ccccc1F 32907823 FXDFRHPCUBOFLL-JTQLQIEISA-N 320.345 2.037 0 40 DEAB Cc1cccc2c1[C@H](NC(=O)c1cccc3ccnn13)C(=O)N2 102743769 AKAJCHHHSBFOAY-HNNXBMFYSA-N 306.325 2.066 0 40 DEAB CN(CCCN1C(=O)NC(C)(C)C1=O)[C@@H]1CCc2ccccc21 41626609 ICUFASYBTASECL-OAHLLOKOSA-N 315.417 2.326 0 40 DEAB CCNc1nc(NCC)nc(Oc2ccccc2C(=O)OC)n1 98104 SKRBZMHUMMOGKQ-UHFFFAOYSA-N 317.349 2.314 0 40 DEAB O=C(NCCc1nnc2n1CCC2)c1csc2c1CCCC2 42502709 OYHXYILHHRCIOC-UHFFFAOYSA-N 316.430 2.137 0 40 DEAB O=C(Nc1ccccc1C(=O)N1CCOCC1)c1cccs1 127563 JTLHVDXALZMAMF-UHFFFAOYSA-N 316.382 2.473 0 40 DEAB CCc1nc2ccccc2c(=O)n1CC(=O)NC1CCCCC1 415951 GDUZACPNIMFCEM-UHFFFAOYSA-N 313.401 2.408 0 40 DEAB COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 559557 IMPCAVRIVLFKJL-UHFFFAOYSA-N 317.341 2.354 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)N1CCC[C@H](C)C1)C(=O)[C@H](C)O2 1362168 QPZYKTBEARCNSM-KBPBESRZSA-N 316.401 2.367 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccccn1)[C@H]1CCCc2ccccc21 79018854 DGGUHWIDRMTCCN-KXBFYZLASA-N 324.424 2.469 0 40 DEAB O=C(CCc1nc(-c2ccncc2)no1)NOCc1ccccc1 25039160 CXHNZGGMFMBQOH-UHFFFAOYSA-N 324.340 2.312 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 106661374 FMQBPUALWPDSQX-HZPDHXFCSA-N 302.418 2.323 0 40 DEAB CCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(OC)cc1 4839333 QUELVWONEHLNBW-RVDMUPIBSA-N 314.341 2.195 0 40 DEAB c1cc(-c2cc(-c3nc4c5c(ncn4n3)CCC5)n[nH]2)ccn1 6447029 HSVBFVCJGQDHOK-UHFFFAOYSA-N 303.329 2.065 0 40 DEAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)O 6730593 NTLXWSUYSXYVKK-KXNHARMFSA-N 313.712 2.296 0 40 DEAB Cc1ccoc1CN[C@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 72300649 ZELBEEGQAMHBIF-KBPBESRZSA-N 314.451 2.126 0 40 DEAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1N[C@@H](C)c1nc(C)no1 84736196 LXZYRGKRKJKJQH-ZKYQVNSYSA-N 306.410 2.066 0 40 DEAB CN(C)c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2CO)c(F)c1 104324724 QOFIFOLKLUJHOU-KFYUAXIPSA-N 306.381 2.029 0 40 DEAB Cc1nnc2ccc(N3C[C@H](c4ccsc4)O[C@H](C)C3)nn12 107519386 AXIOHZIIQNDBDY-ZWNOBZJWSA-N 315.402 2.461 0 40 DEAB CC(=O)c1cccc(OCC(=O)Nc2ccccc2C(N)=O)c1 9645384 LKHRCYJWCAXPBZ-UHFFFAOYSA-N 312.325 2.006 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)NC[C@H](CC(C)C)N(C)C 58161475 CBXRZBFZCUOWDV-HNNXBMFYSA-N 308.470 2.062 0 40 DEAB NC(=O)c1ccc(CSc2nc3sccc3c(=O)[nH]2)cc1 10581419 ZTFVNZDDCRCVKT-UHFFFAOYSA-N 317.395 2.376 0 40 DEAB C[C@H]1c2cccn2CCN1CCN1C(=O)c2ccccc2C1=O 21579334 LRDMCESFYDPSBF-ZDUSSCGKSA-N 309.369 2.161 0 40 DEAB C[C@H](NC(=O)c1ccco1)C(=O)NCC1(c2ccccc2)CC1 11749880 CJDSXJYNANGDBP-ZDUSSCGKSA-N 312.369 2.246 0 40 DEAB CNC(=O)[C@H]1CN(C(=O)c2ccc(Cl)o2)c2ccccc2O1 29767753 AMRIPSBTLIQUFM-GFCCVEGCSA-N 320.732 2.087 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)N1C[C@H](C)O[C@H](C)C1 47244835 WCPQVIJSZMHYCK-AOOOYVTPSA-N 318.402 2.158 0 40 DEAB Cc1cc(C(=O)NOCc2ccccc2)c2c(C)nn(C)c2n1 12765518 DMQWQGQIJGNARY-UHFFFAOYSA-N 310.357 2.447 0 40 DEAB O=C(NCc1cccc(O)c1)c1ccc(N2CCOCC2)cc1 64036857 FGVSECDOXJSADZ-UHFFFAOYSA-N 312.369 2.159 0 40 DEAB O=C(CNC1(c2nccs2)CCCC1)NCc1ccccn1 83215433 DRABXBZZDRVPKH-UHFFFAOYSA-N 316.430 2.213 0 40 DEAB CC[C@@H](C)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14083577 PWNFRHDSUQNLLG-SECBINFHSA-N 309.435 2.052 0 40 DEAB CCC(=O)Nc1cc(=O)[nH]c2nc(-c3ccc(Cl)cc3)nn12 9331709 NOEXGBWMQPGVAS-UHFFFAOYSA-N 317.736 2.087 0 40 DEAB Cc1cc(NC(=O)[C@H](C)Nc2ccc3c(c2)OCCO3)no1 14704417 RNZUXZPNDSXWMN-JTQLQIEISA-N 303.318 2.193 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 6800747 SMCLCSHXZNOMCC-UHFFFAOYSA-N 319.338 2.388 0 40 DEAB Cc1c(C(=O)OCc2cncs2)cnn1-c1ccccn1 97050412 UPAGPXNDBUTZSE-UHFFFAOYSA-N 300.343 2.389 0 40 DEAB Cc1nc2n(n1)C[C@@H](Nc1ccnc(-c3ccccc3)n1)CC2 71803793 DXLXUMREFHJHDP-AWEZNQCLSA-N 306.373 2.470 0 40 DEAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)CSCC(N)=O 71851752 UURSPARIOKGSEK-GFCCVEGCSA-N 306.431 2.205 0 40 DEAB O=C(CNC(=O)c1cc(Cl)ccn1)Nc1cccc(F)c1 7940332 YFEDUFRUWJUXPD-UHFFFAOYSA-N 307.712 2.243 0 40 DEAB COc1cc(CNC[C@H](O)c2ccccc2)cc2c1OCO2 71831309 HIAIULMMCNBXJW-AWEZNQCLSA-N 301.342 2.247 0 40 DEAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)NC1CCCC1 8132209 GXNGPYIZMSJOJR-SECBINFHSA-N 311.407 2.097 0 40 DEAB C[C@H](O)CN1CCN(CCOc2ccc(C(C)(C)C)cc2)CC1 70037016 OPUKCROSJXNVNL-INIZCTEOSA-N 320.477 2.361 0 40 DEAB C[C@@H]([C@@H](C)NCc1cn(C)nc1-c1cccnc1)n1cccn1 69376025 YCSSBRGDVQSNIO-KGLIPLIRSA-N 310.405 2.418 0 40 DEAB CCC(C)(C)NC(=O)CSc1nc2sccc2c(=O)[nH]1 8456997 DSCAWRZKHYNVFW-UHFFFAOYSA-N 311.432 2.382 0 40 DEAB O=C(CN(Cc1ccco1)c1ccccc1)N1CCOCC1 69588267 OODLUXRLQPEMQO-UHFFFAOYSA-N 300.358 2.145 0 40 DEAB O=C(Cc1cccs1)N1CCC(Nc2cccnn2)CC1 69655372 XMTFBDZNUMWAJR-UHFFFAOYSA-N 302.403 2.184 0 40 DEAB COc1ccccc1OCCN1CCCC[C@@H]1Cn1cncn1 69625573 KWTQHIWCZJGRQV-OAHLLOKOSA-N 316.405 2.220 0 40 DEAB CC[C@@H]1CN(CCOc2ccccc2C)CCN1CCOC 69840570 LNLTWELBFGTIHQ-QGZVFWFLSA-N 306.450 2.416 0 40 DEAB CC[C@@H](CC(=O)NCC(=O)Nc1cn[nH]c1)c1ccccc1 69816757 NMJLFROVIFFMRU-LBPRGKRZSA-N 300.362 2.048 0 40 DEAB CC(C)[C@@H](Sc1nnnn1C)C(=O)Nc1ccc(F)cc1 9722143 KSMDYSIOPIEKOS-LLVKDONJSA-N 309.370 2.105 0 40 DEAB C[S@](=O)CCNC(=O)c1cc(C2CC2)nc2ccc(F)cc12 72302867 RHJRWZDDOMAZRA-JOCHJYFZSA-N 320.389 2.360 0 40 DEAB O=C(NC1(C(=O)O)CCCCC1)c1cc(-c2cccnc2)on1 84425221 NPAWPNLVJKJHPE-UHFFFAOYSA-N 315.329 2.254 0 40 DEAB C[C@H](NC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)C(C)(C)C 95449666 BSFCGPLNHGSJOR-GXTWGEPZSA-N 311.447 2.193 0 40 DEAB COc1ccc(OC)c(CNC(=O)c2coc(C3CC3)n2)c1 95941715 YPUVOIGGRAMZNZ-UHFFFAOYSA-N 302.330 2.499 0 40 DEAB COc1ccc(-c2cc(C(=O)N3CCc4[nH]ncc4C3)[nH]n2)cc1 89454024 FZLXTUGAYJQDHU-UHFFFAOYSA-N 323.356 2.007 0 40 DEAB Cn1ccc(C(=O)N[C@H]2CCC[C@H]2Oc2ccccc2)cc1=O 89756654 NQRUTPNIVWTGJC-JKSUJKDBSA-N 312.369 2.115 0 40 DEAB O=C(Cn1ccnc1)NC[C@@H](O)c1c(Cl)cccc1Cl 89768025 HQLLNVZDJZCXQC-LLVKDONJSA-N 314.172 2.040 0 40 DEAB C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ccc2ccccc2c1 89919984 XFEUOCNPQLZOGL-CHWSQXEVSA-N 317.410 2.487 0 40 DEAB CC1CCN(c2cccc(NC(=O)NCC[S@](C)=O)c2)CC1 76070151 HBNHERXLZJNACA-JOCHJYFZSA-N 323.462 2.423 0 40 DEAB O=C(Cc1cn2ccsc2n1)N1CCSc2ncccc21 76040901 PGTUBSWFEJJRPH-UHFFFAOYSA-N 316.411 2.472 0 40 DEAB C[C@H](NC(=O)c1ccoc1)c1ccc(S(C)(=O)=O)c(F)c1 76041318 UJFNWLOIUJBFKY-VIFPVBQESA-N 311.334 2.313 0 40 DEAB O=C(Nc1ccccc1)c1c(-n2cnnn2)sc2c1CCC2 36357474 RDKRSPRIPXROES-UHFFFAOYSA-N 311.370 2.465 0 40 DEAB CC(C)N(CCO)C1CCN(C(=O)OCc2ccccc2)CC1 79391716 DBABLFRCGQMVOM-UHFFFAOYSA-N 320.433 2.490 0 40 DEAB C[C@H]1C[C@H](C)CN(C[C@H](O)COc2ccc3c(c2)OCO3)C1 37530385 MBGJDHGOOZFDKI-IHRRRGAJSA-N 307.390 2.133 0 40 DEAB CN(CC1CC1)C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 72251314 VOMJVWPCZVIUHH-GOEBONIOSA-N 304.365 2.214 0 40 DEAB Cc1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2C)cc1C 32508744 KAUQUTQYGRLLGE-KGLIPLIRSA-N 324.471 2.004 0 40 DEAB CC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 78234544 GBMBOOUSTBASKN-UHFFFAOYSA-N 304.371 2.470 0 40 DEAB C[C@H](C(=O)NC[C@H](c1c(F)cccc1F)N(C)C)n1cccn1 79363069 IIGGFCZHZJUOGZ-BXUZGUMPSA-N 322.359 2.141 0 40 DEAB COC[C@H](C)NC(=O)c1c(C)nn(Cc2ccccc2)c1C 32963955 IMXAFEZNZCEWFK-LBPRGKRZSA-N 301.390 2.313 0 40 DEAB O=C(OCC(F)F)c1ccc(Cl)c(N2CCNC2=O)c1 76873863 YTCBGSKBKLTBBI-UHFFFAOYSA-N 304.680 2.292 0 40 DEAB CCS[C@@H]1CC[C@H](N(C)CC(=O)NCc2cccnc2)C1 76067761 CIETUICBKGCLBI-LSDHHAIUSA-N 307.463 2.304 0 40 DEAB O=C(CCn1ncc2c(Cl)cccc21)NC[C@H]1CCCO1 40759405 MXFFQTOCBKPKRQ-LLVKDONJSA-N 307.781 2.375 0 40 DEAB COc1ccc(CCNC(=O)NCC[C@H](O)C(C)(C)C)cc1 75157876 DRFSQQCYHSETEB-HNNXBMFYSA-N 308.422 2.334 0 40 DEAB CC[C@H](Nc1cc(N2CCOCC2)ncn1)c1c(C)noc1C 225483264 HZRSHHPWAOBJCX-ZDUSSCGKSA-N 317.393 2.481 0 40 DEAB C[C@H]1NC(=S)N(CCc2ccccc2C(F)(F)F)C1=O 49021438 SUKSNQYCEAOBKY-MRVPVSSYSA-N 302.321 2.353 0 40 DEAB CCOC[C@@H]1CCN(C(=O)Nc2cnn(-c3ccccn3)c2)C1 81633839 WLQQECWUSDNYPT-CYBMUJFWSA-N 315.377 2.158 0 40 DEAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)O)[nH]2)cc1OC 224973650 RNDRSFICGLSIIZ-ZETCQYMHSA-N 309.347 2.054 0 40 DEAB CC(C)C(=O)N1C(=O)[C@H]2CCCCN2C(=O)c2ccccc21 40386247 KEYKVSHDYWCZLC-CQSZACIVSA-N 300.358 2.211 0 40 DEAB COc1cc(CC(=O)Nc2cccc3c2CCNC3=O)ccc1C 573544094 PMQBMQJAYIKELJ-UHFFFAOYSA-N 324.380 2.471 0 40 DEAB CCN1C[C@@H](COC(=O)c2ncccc2C(F)(F)F)CC1=O 97374868 JZKGRHCKONZOPV-VIFPVBQESA-N 316.279 2.126 0 40 DEAB CN(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccsc3)C2)O1 96052277 NOVMIMVTLUHJPV-JKSUJKDBSA-N 310.463 2.060 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)NC2(CO)CCCC2)c1 95416169 REUXJKXDAQSSMI-ZDUSSCGKSA-N 306.406 2.231 0 40 DEAB O=C(c1ccc(N2CCCC2)nn1)N1CCc2sccc2C1 95963769 VFFGENVCSPESKS-UHFFFAOYSA-N 314.414 2.337 0 40 DEAB CO[C@H]1CSC2(C1)CN(C(=O)COc1ccccc1C)C2 248012923 JUBYTFYQYZKCCI-CYBMUJFWSA-N 307.415 2.107 0 40 DEAB Cc1cc(C)n(CC(=O)N2CCC[C@H](Cc3cccnc3)C2)n1 257205177 AXYNVLYFHKSMDS-QGZVFWFLSA-N 312.417 2.376 0 40 DEAB CSC[C@@](C)(O)CNC(=O)c1cc(Br)cs1 151035810 LHDAPBUYAQNOMV-JTQLQIEISA-N 324.265 2.354 0 40 DEAB Cn1cnc(CN2CC[C@H](O)[C@H](Cc3ccc(Cl)cc3)C2)c1 585269071 JMSAWXGPHVSKJJ-PBHICJAKSA-N 319.836 2.499 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CSC[C@H](O)c1ccccc1 65587827 WXUPAEZUODYYLK-LBPRGKRZSA-N 310.419 2.078 0 40 DEAB CCOC1CCN(C(=O)c2cc(=O)[nH]c3ccccc23)CC1 71820664 BIZVNTWYORNGIU-UHFFFAOYSA-N 300.358 2.169 0 40 DEAB O=C(CN1CCc2ccccc2C1)NCc1ccc2c(c1)OCO2 34875409 YWBPVKZFGDHQCH-UHFFFAOYSA-N 324.380 2.090 0 40 DEAB O=C(O)CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 36818727 UNBBFSPPPKOGFN-SECBINFHSA-N 317.128 2.283 0 40 DEAB in-vitro CN(C)Cc1noc([C@@H]2CCC(=O)N2CCc2ccccc2)n1 1775963998 NBQXNKDGDHZGPR-AWEZNQCLSA-N 314.389 2.037 0 40 DEAB biogenic,in-vitro COC(=O)N1CC[C@H](Nc2ncnc3cc(F)c(F)cc23)C1 78408569 GPYXUSNSDWFQRP-QMMMGPOBSA-N 308.288 2.161 0 40 DEAB C[C@H](N[C@H]1CCCN(C)C1=O)c1ccc(Br)cn1 580399738 QXDHZIPYZRYLLK-CABZTGNLSA-N 312.211 2.116 0 40 DEAB Cc1nccc(N2CCN(c3ncnc4ccc(F)cc34)CC2)n1 302175799 XBSLFAOXJWGRIW-UHFFFAOYSA-N 324.363 2.194 0 40 DEAB COc1ccc(COC(=O)CNC(=O)c2ccccc2)cc1F 5716081 AQJJNYGVFYXUEK-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB O=C(c1ccccn1)N1CC[C@H]1c1nc(-c2cccnc2)no1 19399937 NMZOMPVLLQONAX-ZDUSSCGKSA-N 307.313 2.114 0 40 DEAB CN(C)c1nccc(CNC(=O)c2ccc(C(F)(F)F)cc2)n1 206728170 RZAUATLHSJHVHQ-UHFFFAOYSA-N 324.306 2.491 0 40 DEAB CCOCCCNC(=O)C1CCN(Cc2ccc(C)o2)CC1 153184325 YKGQVZDSJNWFLH-UHFFFAOYSA-N 308.422 2.343 0 40 DEAB Cn1c(N2CCC(NC(=O)C(C)(C)C)CC2)nc2cccnc21 2086939606 BJNQCVPASYXZAZ-UHFFFAOYSA-N 315.421 2.099 0 40 DEAB NC(=O)[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cl)cc1 10255670 BVFJEJVCLZHLNE-AWEZNQCLSA-N 300.745 2.397 0 40 DEAB CCNc1cc(NCCNC(=O)Nc2ccccc2)nc(C)n1 36708106 AKHCSQGIOBKYQW-UHFFFAOYSA-N 314.393 2.450 0 40 DEAB O=C(COc1ccccc1F)NC[C@@](O)(c1ccco1)C1CC1 75154892 XGHIYVHPHIFMPY-KRWDZBQOSA-N 319.332 2.212 0 40 DEAB Cc1ccccc1NC(=O)CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 18069260 HZMJPOIGECOQOR-GANFFNEQSA-N 324.380 2.131 0 40 DEAB CCC[C@@](C)(NC(=O)c1cc(Cl)c2c(c1)OCO2)C(=O)O 36339140 SWLPDSTYQRUNES-CQSZACIVSA-N 313.737 2.442 0 40 DEAB CC(C)(C)NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccco1 38149253 VJZXHCPPTFKYHU-RAXLEYEMSA-N 313.357 2.360 0 40 DEAB O=C1[C@H]2CC=C(Cl)C[C@@H]2C(=O)N1CCCN1CCCCC1 100587387 MCJUKPTXPPKVLZ-KBPBESRZSA-N 310.825 2.380 0 40 DEAB COc1ccccc1NC(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 31664023 SLSVLNGFRPCVQJ-IHRRRGAJSA-N 321.421 2.314 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](C)N(C)c1ccccc1 40534626 IFAUYYLNUJMWQC-LLVKDONJSA-N 304.419 2.355 0 40 DEAB CC(C)C[C@@H](NC[C@H]1C[C@H]2C=C[C@H]1C2)C(=O)N1CCC(O)CC1 101543216 FALKJTZQJJTFOV-LISAXSMJSA-N 320.477 2.186 0 40 DEAB COc1ccc(CNC(=O)COC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 101811052 KTTVWAHNHWBAHY-OFQRWUPVSA-N 315.369 2.067 0 40 DEAB CCCNC(=O)CSc1nc(C2CC2)nc(C)c1C(C)=O 32908145 ABJSHUHWHLSMRE-UHFFFAOYSA-N 307.419 2.483 0 40 DEAB NC(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 32910848 RVXNDGQFHQBDJY-UHFFFAOYSA-N 304.733 2.456 0 40 DEAB COc1ccc(CNCc2cc(OC)c3c(c2)OCCO3)cn1 42202892 DIUZVXQMZVWOLB-UHFFFAOYSA-N 316.357 2.160 0 40 DEAB C[C@@H]1Sc2ccc(C(=O)Nc3ncccc3O)cc2NC1=O 23078226 MPWPAZYTXLSBGG-QMMMGPOBSA-N 315.354 2.472 0 40 DEAB CCOC(=O)N1CCN(C(=O)CNc2cc(C)ccc2C)CC1 54277270 CJLMEMBEGCDQKN-UHFFFAOYSA-N 319.405 2.016 0 40 DEAB COC1CCN(Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 54358466 ROWIAZLFRGOKJJ-UHFFFAOYSA-N 307.785 2.062 0 40 DEAB CN(c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 983098 ZLZOAZPLHYXCBU-NJZAAPMLSA-N 322.430 2.001 0 40 DEAB Cc1ccc(-c2nnc(N(C)C(=O)[C@@H]3CCCO3)s2)cn1 1348898 RETYWYPQXGKQAX-NSHDSACASA-N 304.375 2.050 0 40 DEAB COCCOc1ccc(NC(=O)N(CC(F)F)C2CC2)cn1 78544745 FWJOBDUHJXNZAZ-UHFFFAOYSA-N 315.320 2.368 0 40 DEAB CCOCC(=O)N(CC(=O)N1CCCCC1)c1ccccc1 78879596 IGYNBLSNVCSNTR-UHFFFAOYSA-N 304.390 2.069 0 40 DEAB Cc1cnn([C@H](C)c2nnc(Nc3cn(C)nc3C)s2)c1 2796774 ABXVEKUHWIAGLJ-SNVBAGLBSA-N 303.395 2.438 0 40 DEAB Cc1cc(SCC(=O)Nc2ccc(C)c(F)c2)nc(=O)[nH]1 4314738 LRYLEJNSSXYTCK-UHFFFAOYSA-N 307.350 2.257 0 40 DEAB O=C(Cc1c(F)cccc1Cl)N[C@]1(C(=O)O)CCSC1 43508689 VVGRUAJEQPYONS-CYBMUJFWSA-N 317.769 2.098 0 40 DEAB CC(=O)NC1=NC(=O)/C(=C\c2ccc3c(c2)C[C@@H](C)O3)S1 10299373 WVHOVKILUSVKDC-OREIZAMCSA-N 302.355 2.116 0 40 DEAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@]3(C)O2)c1 100179315 NQIVTCUMWSFSLH-KNCCTNLNSA-N 311.337 2.112 0 40 DEAB Cc1cc(OC(=O)[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl 44558561 CSLTWZSAHNEENE-SNVBAGLBSA-N 302.779 2.297 0 40 DEAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)Nc1ccccn1 44868990 WVXWCBBTKNVWIQ-UHFFFAOYSA-N 312.325 2.454 0 40 DEAB CN(C)[C@@H](CNC(=O)NCc1cccnc1)c1cccs1 44889760 XEGVBVFTWZMUDK-ZDUSSCGKSA-N 304.419 2.245 0 40 DEAB O=C(NC[C@@H](c1ccco1)N1CCCC1)NC1CCC(O)CC1 44947070 JZFIQNMIMSDGSQ-NRXISQOPSA-N 321.421 2.019 0 40 DEAB CN(Cc1ccsc1)C(=O)CNC(=O)c1ccc(F)cc1F 28021101 OXUOBTQSKKTCNW-UHFFFAOYSA-N 324.352 2.415 0 40 DEAB NC(=O)[C@H](NC(=O)Cc1ccccc1Cl)c1ccccc1 12048261 NWRRRKILXTXZHQ-OAHLLOKOSA-N 302.761 2.225 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cn(C)nc1C 100141031 BPXQWOGYQQAEQB-GDBMZVCRSA-N 322.416 2.341 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)CCOc2ccccc2Cl)C1 37436051 BHGIWGAQAWHRSD-NSHDSACASA-N 311.765 2.432 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)CCc1nc(-c2cccnc2)no1 48272762 HBSUVWQZUJGEOH-NSHDSACASA-N 300.362 2.321 0 40 DEAB C[C@H](NC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)C1CC1 48343371 HZPWPSHTYQDCNJ-VIFPVBQESA-N 322.327 2.312 0 40 DEAB C[C@@H]1SCCN(C(=O)N[C@H](C)COCC(F)(F)F)[C@H]1C 110601894 IXJHMCNIBJYQEY-UTLUCORTSA-N 314.373 2.489 0 40 DEAB O=S(=O)(Nc1ccccc1O)c1cnn(-c2ccccc2)c1 95409098 SZNOIAUAAARTFI-UHFFFAOYSA-N 315.354 2.379 0 40 DEAB COc1cc(OC)c(OC)cc1CNC(=O)c1cccnc1 13012907 RFCJXABJEXHEEP-UHFFFAOYSA-N 302.330 2.037 0 40 DEAB COc1ccc(CCCNC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 93397928 IEDSDEFOYYJHCM-CZUORRHYSA-N 306.406 2.040 0 40 DEAB Cn1cc([C@@H](O)CN[C@@H]2CC3(CCC3)Oc3ccccc32)cn1 95423302 BCKMMLAXHHBIGE-CVEARBPZSA-N 313.401 2.490 0 40 DEAB CCOC(=O)Cc1nnc(NC(=O)c2ccc(F)cc2)s1 9350235 CGJCHXHOCLFPLH-UHFFFAOYSA-N 309.322 2.035 0 40 DEAB Cc1cccc(OCC(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 65492039 BVZZFNDSRCKMQY-UHFFFAOYSA-N 320.295 2.390 0 40 DEAB CCN(CC)c1ccc(NC(=O)NCCN(C)C(C)C)cn1 65535747 HCRYRWJXBBTJGT-UHFFFAOYSA-N 307.442 2.390 0 40 DEAB CC1(C)S[C@H]2c3ccccc3C(=O)N2[C@@H]1C(=O)NC1CC1 5529118 TWAKTLJDZSDUQO-DOMZBBRYSA-N 302.399 2.314 0 40 DEAB CCOC(=O)c1sc2ccccc2c1CN1CCNCC1 71790293 QHNMTOSQEIGRJO-UHFFFAOYSA-N 304.415 2.483 0 40 DEAB in-vitro COc1ccccc1/C(C)=C/C(=O)N[C@@H](C)c1nncn1C 66615558 MWEZNWCNNMYIPT-ZKQHCESOSA-N 300.362 2.104 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H](N2CCCC2)C1 66942815 VGHKTIBFNCXUOU-BBWFWOEESA-N 324.465 2.047 0 40 DEAB CCN(C)C[C@@H]1CCN(S(=O)(=O)/C=C/c2ccccc2)C1 96428770 WCAKSJADHQNCDX-TYZQSYOASA-N 308.447 2.261 0 40 DEAB C[C@H]1CN(C[C@@H]2CCCN2C(=O)NCc2ccco2)C[C@@H](C)O1 67718933 FGCQWMAEPAMPPX-ZNMIVQPWSA-N 321.421 2.063 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)no1 67887768 IMIWUFLOQGXCEH-NSHDSACASA-N 304.350 2.257 0 40 DEAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCC(Nc2cccnn2)CC1 71863454 UXOYFCZRRSQVNT-ZIAGYGMSSA-N 312.373 2.276 0 40 DEAB Cc1ccccc1CNC(=O)CN1CCC[C@H](c2ncc[nH]2)C1 80961383 PWVQCXGIEJJMGX-INIZCTEOSA-N 312.417 2.214 0 40 DEAB O=S1(=O)N=C(NCCCc2ccccc2)c2ccccc21 7779630 HWWGQEGJIZBUTO-UHFFFAOYSA-N 300.383 2.358 0 40 DEAB O=c1c(Cl)c(N2CCC[C@@H](CO)C2)cnn1-c1ccccc1 8177869 SYTMDLATZJAWRD-GFCCVEGCSA-N 319.792 2.095 0 40 DEAB CC(C)(C)OC(=O)N1CC2(CNC(=O)[C@@H]2c2ccccc2)C1 91303119 HUBUYYQIARIBBA-ZDUSSCGKSA-N 302.374 2.137 0 40 DEAB in-vitro Cc1cc(C(=O)CN2C(=O)CC3(CCCC3)C2=O)c(C)n1C 9691405 UXKTUBLDGSNAJL-UHFFFAOYSA-N 302.374 2.144 0 40 DEAB CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](C)c1nncn1C 70009028 OIZVJQZLCOBVBK-JTQLQIEISA-N 323.347 2.386 0 40 DEAB Cc1noc([C@H](C)N2CCN(Cc3ccc(F)cc3)CC2)n1 69349849 YHYNXSXKKCKONS-LBPRGKRZSA-N 304.369 2.396 0 40 DEAB C/C=C/C=C/C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 9690279 QWSAURIRTDSLMP-YTXTXJHMSA-N 303.314 2.331 0 40 DEAB O=C(NCCC1=CCCCC1)N1CCN(c2ncccn2)CC1 17116986 NXPLUGPJCRRBQN-UHFFFAOYSA-N 315.421 2.199 0 40 DEAB Cc1ccc(CC(=O)NCCn2c(C)nc3ccccc32)cn1 69518485 HMZLVGWUXQLCCC-UHFFFAOYSA-N 308.385 2.407 0 40 DEAB O[C@@H](CN1CCC[C@H](Cn2cncn2)C1)c1ccc(F)cc1F 69843231 OKHJMLGXRAAVNG-LRDDRELGSA-N 322.359 2.002 0 40 DEAB Cc1cc(NC(=O)[C@H](C)N2CC[C@H](Nc3ccccc3)C2)no1 84117221 CXFSXJUKKKMSAV-ZFWWWQNUSA-N 314.389 2.496 0 40 DEAB O=C(CSc1ccccc1F)NC[C@@H]1CC(=O)N(C2CC2)C1 97079980 GFBZACUUYUOAMR-NSHDSACASA-N 322.405 2.045 0 40 DEAB O=C(/C=C/c1ccco1)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1 72292404 JQEFLNVBRACZJH-SBDDDAINSA-N 324.336 2.137 0 40 DEAB C[C@@H](CO)CNC(=O)CCc1cc(F)ccc1Br 97107276 BDMUVXPHOUBZEW-SECBINFHSA-N 318.186 2.265 0 40 DEAB c1ccc(Cn2nnnc2SCc2nc(C3CC3)n[nH]2)cc1 95986594 YUZKFDLNLPPLJJ-UHFFFAOYSA-N 313.390 2.009 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@@H]1CO)Oc1cccc(F)c1 84644975 LUEMXJOPPSMUDG-ZIAGYGMSSA-N 310.369 2.149 0 40 DEAB CS(=O)(=O)CC1(CNc2ccc(Br)cn2)CC1 89484220 NTOVMLFCRHHLON-UHFFFAOYSA-N 319.224 2.081 0 40 DEAB O=C(NCc1nccs1)c1ccc(-c2ccco2)[nH]c1=O 75125429 SRWFCQONHSUHOQ-UHFFFAOYSA-N 301.327 2.021 0 40 DEAB O=C(NCCc1ccco1)N1CCCN(c2nccs2)CC1 68264212 ASNWCEFZLPKMEH-UHFFFAOYSA-N 320.418 2.201 0 40 DEAB CC[C@@H](C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)OC 7246894 VODHDHYEGBLGBP-DISFZNMFSA-N 311.403 2.164 0 40 DEAB Cc1sc2ncc(C(=O)N3CCC(C)CC3)c(=O)n2c1C 35373126 MNYCZMIWYSTYEM-UHFFFAOYSA-N 305.403 2.245 0 40 DEAB Cc1ccc(CNC(=O)c2nn(C)c(C)c2Br)o1 32648339 ZKPCIUBFVIRRDB-UHFFFAOYSA-N 312.167 2.322 0 40 DEAB COc1cccc([C@@H](NC(=O)C2CC2)c2nccn2C)c1OC 72346356 DKHVEWMBTIVCQP-CQSZACIVSA-N 315.373 2.053 0 40 DEAB COCCN(Cc1ccncc1)C(=O)c1cc(C2CC2)on1 75170159 BZCGZOQQYTUHNH-UHFFFAOYSA-N 301.346 2.236 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1ccoc1 75171973 CRSGIJXZROCKOJ-CYBMUJFWSA-N 322.748 2.030 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(C)nc2onc(C)c12 30849824 VGCJOURDMQAGIH-LBPRGKRZSA-N 319.361 2.157 0 40 DEAB Cc1nn(C)c2c1[C@@H](c1ccc(C(=O)O)cc1)SCC(=O)N2 49545260 WJRSZTMXSZAXMT-CYBMUJFWSA-N 317.370 2.201 0 40 DEAB C[C@H](c1ccccc1)N1CCN(c2ccnc(N(C)C)n2)CC1 134080578 VHJYVXNJGSMCRP-OAHLLOKOSA-N 311.433 2.426 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N2CCOC[C@@H]2C[C@@H](C)O)cc1F 135459085 XAVPEQCNDCSVAL-IPYPFGDCSA-N 324.396 2.376 0 40 DEAB O=C(Nc1ccon1)C(=O)N1CC=C(c2ccccc2F)CC1 135016252 XCHCZKNGRPTVAU-UHFFFAOYSA-N 315.304 2.068 0 40 DEAB COC(=O)[C@H]1CCCCN1C(=O)Cc1cnc2ccccc2c1 130033289 KJMBXLDNKDLDDJ-MRXNPFEDSA-N 312.369 2.331 0 40 DEAB Cc1ccn(-c2ccc(C(=O)N[C@@H](C)c3nccn3C)cc2)n1 1586062134 YMXVCUNVDGILCW-ZDUSSCGKSA-N 309.373 2.405 0 40 DEAB CNC(=O)CN(C(=O)CCc1ccc(C)o1)c1cccc(F)c1 81941339 HKPHGSXYOSBEFX-UHFFFAOYSA-N 318.348 2.439 0 40 DEAB CCOC(=O)c1ccc(-c2csc(CC(=O)NC)n2)cc1 195573680 ZXEIKZSPCFKLBI-UHFFFAOYSA-N 304.371 2.275 0 40 DEAB O=S(=O)(CCC1CC1)Nc1cccc(CN2CCOCC2)c1 97103192 UKUKOZHGZXAHDU-UHFFFAOYSA-N 324.446 2.061 0 40 DEAB c1cnc(NC[C@@H]2OC[C@H]3CN(Cc4ccco4)CC[C@H]32)nc1 96185366 UMMIVLUNFJCTEX-BMFZPTHFSA-N 314.389 2.019 0 40 DEAB Cc1ccc(F)cc1C(=O)N[C@H]1CC(=O)N(CC(F)(F)F)C1 96414058 VPABOZDMJCFLEZ-JTQLQIEISA-N 318.270 2.027 0 40 DEAB Cn1cc(CN2CC[C@]3(C[C@H](Nc4ccccc4)CO3)C2)cn1 96218799 OAOYSQIVQKIEIQ-ROUUACIJSA-N 312.417 2.266 0 40 DEAB Cc1cc(C(=O)NCCCNCc2cccnc2)ccc1F 96403835 BFEITYKFLFSHRN-UHFFFAOYSA-N 301.365 2.439 0 40 DEAB CCCCO[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O 236856801 GXVQJGOUFPZTSS-DOMZBBRYSA-N 305.374 2.230 0 40 DEAB CN1CC[C@H](NC(=O)C2(O)CCCC2)[C@@H]1c1ccc(F)c(F)c1 96487296 ACYVAEANKNRKDH-GJZGRUSLSA-N 324.371 2.131 0 40 DEAB Cn1c(-c2ccccc2)cnc1S(=O)(=O)C[C@H]1CCCCO1 96451864 IZPJSEYGCVKGEV-CQSZACIVSA-N 320.414 2.430 0 40 DEAB CC(C)n1nnc(-c2ccc(C(=O)NCc3cccnc3)cc2)n1 96231233 LUXWJAVTLVSROV-UHFFFAOYSA-N 322.372 2.246 0 40 DEAB Cc1noc(C)c1CN1CCn2cc(CN3CCCC3)nc2C1 96067961 LKTYCALOASRHQU-UHFFFAOYSA-N 315.421 2.100 0 40 DEAB CC(=O)N1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 247926390 IINWPOYUJHIQQU-QGZVFWFLSA-N 318.417 2.406 0 40 DEAB O=C(CC1CC1)N1CC2(C[C@H](OCc3cccnc3)CS2)C1 247807464 CDHXDZUXDCRFKT-HNNXBMFYSA-N 318.442 2.485 0 40 DEAB Nc1cccc([C@H]2CN(CCOc3ccc(F)cc3)CCO2)n1 257245806 IRDSBKMTCQIHPK-MRXNPFEDSA-N 317.364 2.255 0 40 DEAB Cc1nc([C@@]2(C)CCCN(CC(C)C)C2)nc2c1CC(=O)N2C 257315662 VCIBJTFFCPVPAF-SFHVURJKSA-N 316.449 2.313 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2cnc(O)c(Cl)c2)C1 257224906 FDWUCVXHQJIONM-VIFPVBQESA-N 306.753 2.102 0 40 DEAB O=S(=O)(Cc1ccccc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257255091 KGBNFXBTSRHACX-OAHLLOKOSA-N 319.430 2.194 0 40 DEAB CCc1cc(C(=O)N2CCC[C@@H](c3nc(C)cn3C)C2)no1 257300481 RUMKICXZMAKSPU-GFCCVEGCSA-N 302.378 2.299 0 40 DEAB Cc1nccc([C@H]2CN(Cc3ccc(C(=O)O)cc3)CCO2)n1 257329461 XKBQNCRVABTYTN-MRXNPFEDSA-N 313.357 2.057 0 40 DEAB CC(C)N(C)C(=O)NCc1ccnc(OC2CCOCC2)c1 267960137 WWXIMZIUHHOFIG-UHFFFAOYSA-N 307.394 2.189 0 40 DEAB CCCCC(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@H]1C 585096522 RJLXYFWTCMSPOP-GFCCVEGCSA-N 306.410 2.115 0 40 DEAB COc1ccccc1CC(=O)N1CCO[C@H](c2ccncc2)C1 585180243 HITVTJMSKXLRIV-KRWDZBQOSA-N 312.369 2.233 0 40 DEAB CCCN(CC(F)F)C(=O)N[C@H](C)C(=O)N1CCCC[C@@H]1C 71799467 MVKIGVBLOTWOGA-NWDGAFQWSA-N 319.396 2.463 0 40 DEAB Cc1cc([C@@H]2CCCN2Cc2cc(=O)n3ccsc3n2)on1 47273732 OJQJYTSCEFYVEI-LBPRGKRZSA-N 316.386 2.390 0 40 DEAB O=C(O)[C@H]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 62118447 SYADWPXYFHOPBJ-VIFPVBQESA-N 302.157 2.469 0 40 DEAB COc1ccc(-c2noc([C@H]3CCCCS3(=O)=O)n2)cc1 97164376 XZSVENHETVPZHA-GFCCVEGCSA-N 308.359 2.385 0 40 DEAB COc1cc(I)c(CC(=O)O)cc1F 169795995 ITQFJZRWDPAMPP-UHFFFAOYSA-N 310.062 2.066 0 40 DEAB Cc1ccc(S(=O)(=O)NCCOc2ccc(F)cc2)cc1 5022188 AANGLMVISMTJBM-UHFFFAOYSA-N 309.362 2.491 0 40 DEAB COc1ccc(OCCCC(=O)NCCCn2ccnc2)cc1 14396943 BZHJPHZTOVQNQW-UHFFFAOYSA-N 317.389 2.257 0 40 DEAB O=C1CC[C@@H](NCc2ccccn2)[C@H](c2cc(F)cc(F)c2)N1 19401950 DXGJWBRTFGCTMS-WBVHZDCISA-N 317.339 2.469 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@H]2CN1Cc1cccc(C(F)(F)F)c1 19575945 CWRPDHISSPOZMD-TUKIKUTGSA-N 314.351 2.345 0 40 DEAB COCCN1CCC(CNC(=O)Cc2cccc(C)c2)CC1 23014283 JGVUVUACFFSCAI-UHFFFAOYSA-N 304.434 2.012 0 40 DEAB O=S(=O)(Cc1ccc(Cl)cc1)NCC1(O)CCCC1 36110519 HLUQROFWYJFKNO-UHFFFAOYSA-N 303.811 2.065 0 40 DEAB CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2CCCOC2)CC1 1848586838 FLKDGGWXTQYWIN-ZDUSSCGKSA-N 324.856 2.457 0 40 DEAB CN(C)S(=O)(=O)c1cccc(COC(=O)[C@H]2CC=CCC2)c1 10849936 STJBOFNMZWFXII-AWEZNQCLSA-N 323.414 2.336 0 40 DEAB c1cnc(OCC2CCN(c3ncnc4c3CCC4)CC2)cn1 1889091605 RUKXODCJFVZMDC-UHFFFAOYSA-N 311.389 2.051 0 40 DEAB CCOCC(=O)N1CCC[C@](O)(COc2ccc(C)c(C)c2)C1 2037913179 XWJUYEIPVHDIMZ-GOSISDBHSA-N 321.417 2.072 0 40 DEAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncnc3c2CCC3)C1 2087127695 PIFDAZQRXVKOME-CYBMUJFWSA-N 316.449 2.439 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@](C)(O)c2cccs2)cc1 75155858 FKMXTIWAYFXLJL-INIZCTEOSA-N 304.415 2.452 0 40 DEAB CN(C)S(=O)(=O)c1ccccc1CNCc1cccs1 30658197 LOGODNGZMKOQMJ-UHFFFAOYSA-N 310.444 2.288 0 40 DEAB CC[C@H]1CN(C(=O)c2cn(-c3ccc(Cl)cc3)nn2)CCO1 30848599 FSBUOTAFKWRZAP-ZDUSSCGKSA-N 320.780 2.172 0 40 DEAB Cc1ccccc1[C@@H](CC(=O)NCc1ccccc1)NC(N)=O 40498483 WYGZCMNHERTBHR-MRXNPFEDSA-N 311.385 2.411 0 40 DEAB CC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NCc2ccco2)s1 32776828 XVSJYBVLCKKHGT-SNVBAGLBSA-N 321.354 2.405 0 40 DEAB COC(=O)c1cccc(CN2CCN(c3nccs3)CC2)c1 32879569 CSUKVWLWGIJEAU-UHFFFAOYSA-N 317.414 2.252 0 40 DEAB CSc1ncccc1C(=O)NC[C@H](C)N1C[C@H](C)O[C@@H](C)C1 32828463 HHSZFNXQTSNYDG-AVGNSLFASA-N 323.462 2.031 0 40 DEAB O=C(O)c1cc(NS(=O)(=O)c2ccccc2)c(F)cc1F 32935290 QCLPXQDDJKBKAA-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cc1ccc([C@H](O)CNC(=O)NCc2nc(C)cs2)cc1 41445113 PMCOJAFQLXATBU-CYBMUJFWSA-N 305.403 2.293 0 40 DEAB NC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F 22624030 BWRYSDVHSXMBFB-AWEZNQCLSA-N 319.311 2.183 0 40 DEAB C[C@@H]1CN(C(=O)c2cc(Br)ccc2O)C[C@@H](C)O1 24014349 QLWDYULVUGKLEK-RKDXNWHRSA-N 314.179 2.404 0 40 DEAB O=C(NCCS(=O)(=O)c1ccccc1F)Nc1ccccc1 73018172 YMDWDZZEBGMVLC-UHFFFAOYSA-N 322.361 2.421 0 40 DEAB O=C(C[C@H]1C=CCC1)NCc1ccc(CN2CCOCC2)cc1 24148819 FFPPSJLXUSZVLW-INIZCTEOSA-N 314.429 2.491 0 40 DEAB CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccccc2[nH]1 12506902 FDEQZDVYMGMOSE-UHFFFAOYSA-N 304.350 2.416 0 40 DEAB CN(C)C1(CNC(=O)c2ccc(C(N)=O)cc2)CCCCCC1 24583782 QBXFIGYKTZCOSW-UHFFFAOYSA-N 317.433 2.170 0 40 DEAB Cn1nc(C(=O)Nc2cc(F)ccc2F)c2ccccc2c1=O 3611309 ROCGNCVKOVQEEF-UHFFFAOYSA-N 315.279 2.464 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN2[C@H](C)c2nc(C3CC3)no2)n1 106783550 XQEJEWCAYUZWLV-QMTHXVAHSA-N 316.409 2.381 0 40 DEAB O=S1(=O)C[C@@H]2N=C(Nc3cccc(Cl)c3)S[C@@H]2C1 4598011 ZHYPAMBYCYMQMJ-VHSXEESVSA-N 302.808 2.020 0 40 DEAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cnccn1 6486110 IJSJACAWACGKSK-UHFFFAOYSA-N 300.358 2.419 0 40 DEAB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(C)o2)C1=O 6879665 OKTWEZATTZLCSX-XFFZJAGNSA-N 308.359 2.151 0 40 DEAB Cc1noc([C@@H](C)SCCN2C(=O)c3ccccc3C2=O)n1 56216275 RXDWTTSKEWJDLQ-SECBINFHSA-N 317.370 2.468 0 40 DEAB CO[C@H]1[C@H](COC(=O)C2CCCCC2)O[C@@H]2OC(C)(C)O[C@@H]12 8627918 LVMXTLVYAUOSRO-PWNZVWSESA-N 314.378 2.001 0 40 DEAB O=C(Nc1cccnn1)N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95987451 BNBCLDJRKADOPE-GXTWGEPZSA-N 320.299 2.407 0 40 DEAB CCOCCO[C@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC 57413810 PHUYTPAXGHHKHL-LLVKDONJSA-N 324.377 2.034 0 40 DEAB NC(=O)c1ccc(N[C@H](C(N)=O)c2ccccc2)cc1Cl 27005665 KTZVVMJSIYBTKN-ZDUSSCGKSA-N 303.749 2.077 0 40 DEAB CCOC(=O)N1CCN(C(=O)[C@H](C)Sc2ccccc2)CC1 20238437 WWQMIIBMJGMCAZ-ZDUSSCGKSA-N 322.430 2.468 0 40 DEAB CON(C)C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 44848002 OMLOFRVJUCDOPX-CQSZACIVSA-N 304.390 2.175 0 40 DEAB CCN(Cc1cnn(C)c1)S(=O)(=O)c1ccc(C)c(C)c1 58202986 QVUGKVRJZDWFGK-UHFFFAOYSA-N 307.419 2.248 0 40 DEAB COc1ccc(OCC(=O)NCCc2csc(C)n2)cc1 27794129 ASEJPKVBCDUMHS-UHFFFAOYSA-N 306.387 2.198 0 40 DEAB COc1ccc(C(=O)O[C@@H](C(N)=O)c2ccccc2)c(F)c1 10373766 ZBZLIIPEOXYRPK-CQSZACIVSA-N 303.289 2.218 0 40 DEAB CCN(CC)S(=O)(=O)N[C@H](C)CCc1ccc(OC)cc1 58325918 GTYSRJPONSARRJ-CYBMUJFWSA-N 314.451 2.193 0 40 DEAB C[C@@H](Sc1nnc(NCCc2ccccc2)s1)C(N)=O 10775514 UGRMGSFMBYJFKM-SECBINFHSA-N 308.432 2.159 0 40 DEAB CCOc1ccc(-c2cn(C3CN(C(=O)C4CC4)C3)nn2)cc1 95998051 SNLGNTNWLCMNOQ-UHFFFAOYSA-N 312.373 2.137 0 40 DEAB Cc1cc(NC(=O)NC[C@H](C)N(C)c2ccccc2)n(C)n1 45975354 ADDGFTOTASVIOM-ZDUSSCGKSA-N 301.394 2.375 0 40 DEAB Cc1cc(OCC(=O)NCCCN2CCCC2=O)ccc1Cl 2642823 QVTMRWKDZJIWTL-UHFFFAOYSA-N 324.808 2.156 0 40 DEAB O=C(CC(F)(F)F)NCc1ccc(N2CCOC2=O)cc1 97370782 BWBSMHAKRKECFX-UHFFFAOYSA-N 302.252 2.212 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)Cc1c[nH]c2ncccc12 97379416 GZJDXGKYZLEORV-INIZCTEOSA-N 324.384 2.044 0 40 DEAB Cc1occc1C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1 12647801 KWXSLXYYIYHYOC-UHFFFAOYSA-N 320.370 2.380 0 40 DEAB COC(=O)c1ccc(OCCN2CCO[C@H]3CCCC[C@@H]32)cc1 48253408 XGVSEFOHIFQBER-IRXDYDNUSA-N 319.401 2.495 0 40 DEAB C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1ccc(F)cc1 12894576 YQDAUTJEZIQSDW-NSHDSACASA-N 311.320 2.292 0 40 DEAB Cc1nc([C@@H]2CN(C(=O)C(C)(C)c3ccccc3)CCO2)no1 96000729 RKWCUNCERQDIDN-AWEZNQCLSA-N 315.373 2.256 0 40 DEAB O=C(CC1CC1)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306128240 GUYPCFXZTGBKEJ-CYBMUJFWSA-N 320.364 2.017 0 40 DEAB Cc1cccc(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)c1 9376611 GRXZLROQDJELDW-UHFFFAOYSA-N 323.352 2.027 0 40 DEAB O=C1O[C@@H](C(=O)Oc2ccc3c(c2)OCO3)Cc2ccccc21 5256014 IXSOTVCOMCIBJY-OAHLLOKOSA-N 312.277 2.102 0 40 DEAB CC[C@H](C)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 14083579 PWNFRHDSUQNLLG-VIFPVBQESA-N 309.435 2.052 0 40 DEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCCC[C@H]1C 6468159 BJKKIOXUJOGZMN-UKRRQHHQSA-N 304.390 2.355 0 40 DEAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2nnc3ccccn23)cc1 5488992 HWBKORSPKOVOLA-NSHDSACASA-N 323.356 2.179 0 40 DEAB Cc1cc(Br)cnc1NCC(=O)NCC(C)C 95411939 IPFOYSKOEFTZTA-UHFFFAOYSA-N 300.200 2.337 0 40 DEAB CC(C)(C)c1ccc(C(=O)NCCCn2ncccc2=O)cc1 23137422 QZQKJYCJVYPUJD-UHFFFAOYSA-N 313.401 2.361 0 40 DEAB CCc1nnc(NC(=O)c2ccc3c(c2)nnn3CC)s1 7347527 BLVVYRWQTIXUSM-UHFFFAOYSA-N 302.363 2.117 0 40 DEAB CCCN(CCC)C[C@H](O)COCc1ccc2c(c1)OCO2 9550246 XDSPJPAKJQDQNP-HNNXBMFYSA-N 309.406 2.415 0 40 DEAB Cc1nccc(CNC(=O)NCCCc2cccc(F)c2)n1 69071737 OVNWBQBBZNTMNQ-UHFFFAOYSA-N 302.353 2.356 0 40 DEAB CC1=Nn2cc(-c3ccccc3)nc2S[C@H]1C(=O)N(C)C 8131890 MROIXIXRPWDYFV-CYBMUJFWSA-N 300.387 2.337 0 40 DEAB Cc1nccn1-c1ccc(F)cc1CNC(=O)[C@H]1CCCO1 71886025 KYIACCQUFDDGGC-OAHLLOKOSA-N 303.337 2.115 0 40 DEAB O=C(c1ccn(-c2cccc(F)c2)n1)N1CCO[C@H]2CCC[C@@H]21 71826960 ZYZCZWBYBBUNDI-HOTGVXAUSA-N 315.348 2.405 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)N1CCN2CCCC[C@H]2C1 71839901 OMJYFHWBWWVKMX-HNNXBMFYSA-N 316.401 2.045 0 40 DEAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)N1CCOCC1 69531371 DISDKFRZNZTLOT-UHFFFAOYSA-N 319.336 2.065 0 40 DEAB O=C(c1ccncc1F)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91760431 WKVRPCKCIDLYKH-BMIGLBTASA-N 322.286 2.447 0 40 DEAB CN(C)c1ccc(C(=O)NCc2nnc3n2CCCCC3)cc1 69648022 WLRLIXPOSMIOTG-UHFFFAOYSA-N 313.405 2.001 0 40 DEAB COC(=O)c1sc2nc(C)nc(NCc3cc[nH]n3)c2c1C 69846711 AXBRJUIGQYWRPM-UHFFFAOYSA-N 317.374 2.430 0 40 DEAB C[C@@H]1CN(Cc2cscn2)CCN1C[C@H](O)c1ccccc1 69979301 GCJBLYOMICXKKJ-PBHICJAKSA-N 317.458 2.383 0 40 DEAB CCN(C)S(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 97046800 NMAQEPBDSFXYKA-UHFFFAOYSA-N 306.387 2.439 0 40 DEAB c1ccc(CNC[C@H](c2cccs2)N2CCOCC2)nc1 72276787 OLOMVPRNEXNRNV-OAHLLOKOSA-N 303.431 2.306 0 40 DEAB COCCCn1ccc(NC(=O)NC2Cc3ccccc3C2)n1 97140920 OGDCIEHCCCAORP-UHFFFAOYSA-N 314.389 2.209 0 40 DEAB Cc1nc(NC(=O)N2CC[C@@H](Oc3cccnc3)C2)oc1C 89558602 AUSCRCNCHZBHMK-CYBMUJFWSA-N 302.334 2.372 0 40 DEAB O=C(NC[C@H]1CCCCO1)c1ccc(-c2cccs2)[nH]c1=O 75126124 ZSISCXJPNQEHDM-LLVKDONJSA-N 318.398 2.402 0 40 DEAB NC(=O)[C@@H]1CCC[C@@H]1Nc1nccc(OCc2ccccc2)n1 89601158 DQTLCEHGFHYVMD-KGLIPLIRSA-N 312.373 2.122 0 40 DEAB C[C@H](SCc1ccccc1)C(=O)N1CCC(C(N)=O)CC1 28202353 YYUDXKSALTVSHI-LBPRGKRZSA-N 306.431 2.032 0 40 DEAB CCOC(=O)c1cnc2cc(OC)c(OC)cc2c1N(C)C 62718701 UDRUCJLSEGCUIW-UHFFFAOYSA-N 304.346 2.495 0 40 DEAB CCc1nc(=NCCc2ccccc2N2CCOCC2)s[nH]1 521398362 ANAIPLQUKRSJKL-UHFFFAOYSA-N 318.446 2.014 0 40 DEAB CCCN1CCN(C(=O)c2ccnn2C)c2cc(F)ccc21 189970192 XYIRQWZRUXGESU-UHFFFAOYSA-N 302.353 2.436 0 40 DEAB CCOCCCNC(=O)c1ccc(Cn2ccnc2C)cc1 38856867 SGTIQYDSZMPHBB-UHFFFAOYSA-N 301.390 2.396 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 36748163 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CN(C(=O)c1ccc(Cl)cn1)c1ccccc1S(C)(=O)=O 85747889 ORTGSFSZXOPNGD-UHFFFAOYSA-N 324.789 2.415 0 40 DEAB CC(=O)Nc1ccc(NC(=O)c2nnc3ccccc3n2)cc1 46088177 NUWIOIBJPQDSLM-UHFFFAOYSA-N 307.313 2.236 0 40 DEAB Cc1ccc(C)c(NC(=O)c2cc(N3CCOCC3)on2)c1 224072552 NUIRBYBGKKDQIK-UHFFFAOYSA-N 301.346 2.380 0 40 DEAB FC(F)(F)c1ccc(O[C@H]2CCN(Cc3c[nH]cn3)C2)nc1 225469478 QHOYFDQJSQVIKD-LBPRGKRZSA-N 312.295 2.477 0 40 DEAB O=c1c2ccccc2cnn1CNCCOc1ccc(F)cc1 226759040 XFMSDLDYSMGNSK-UHFFFAOYSA-N 313.332 2.162 0 40 DEAB CN(C)c1cc(CNC(=O)N2CCc3sccc3C2)ccn1 47612592 ZQDLTXKSKDMXHM-UHFFFAOYSA-N 316.430 2.477 0 40 DEAB O=C(NC[C@@H](O)c1ccccc1F)[C@@H]1COc2ccccc21 96445807 YDFKQCBDRWZFNZ-UKRRQHHQSA-N 301.317 2.152 0 40 DEAB CN(C)Cc1c(C(=O)N2CCc3[nH]ncc3C2)oc2ccccc12 96436015 LMBKKSRXVCNPMF-UHFFFAOYSA-N 324.384 2.416 0 40 DEAB COc1nn(C)c2c1CCCN(C(=O)c1ccccc1F)C2 96254457 KHJRREKWZOVSMM-UHFFFAOYSA-N 303.337 2.156 0 40 DEAB Cc1ccc([C@H]2[C@@H](C(=O)NCc3cccnc3)CC(=O)N2C)cc1 96181340 ZAGMLLMKSSMJJD-WMZOPIPTSA-N 323.396 2.226 0 40 DEAB CC(C)c1cc(C(=O)N2CCSCC2)nc(N2CCCC2)n1 96101279 DIFPRFIOIRRJNX-UHFFFAOYSA-N 320.462 2.389 0 40 DEAB CC(C)OCCS(=O)(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F 96451011 ZEBZGXSCRGMVRI-GHMZBOCLSA-N 317.373 2.452 0 40 DEAB COC(=O)c1ccc(Cl)c(CN2CCC[C@@H](NC(C)=O)C2)c1 96500516 IUCYTLGBKQSZDX-CQSZACIVSA-N 324.808 2.227 0 40 DEAB O=C1NCC[C@]12CN(Cc1nccs1)C[C@H]2c1ccccc1 96201813 IIDNWWGGHMTNKO-WMLDXEAASA-N 313.426 2.249 0 40 DEAB COC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2ncn(C)c21 96044802 KMABPMNAPHBALD-AWEZNQCLSA-N 303.406 2.383 0 40 DEAB Cc1ccc(CN2CC[C@H]3O[C@@H](C(=O)N(C)C)CC[C@H]32)s1 96057470 GUPGIOWPJQVQDN-RBSFLKMASA-N 308.447 2.267 0 40 DEAB C[C@@H]1c2ncc(Cn3cccn3)n2CCN1Cc1cccnc1 96201252 RMXGYSPCWXUCRF-CQSZACIVSA-N 308.389 2.100 0 40 DEAB C[C@H](Cn1ncc2ccccc2c1=O)NC1CCSCC1 90938559 MKPJGYYFTGRMNB-GFCCVEGCSA-N 303.431 2.270 0 40 DEAB O=C(C1CCN(CC(F)F)CC1)N1CCO[C@H]2CCCC[C@H]21 241465918 NSYMKAJBVAGJLV-KGLIPLIRSA-N 316.392 2.134 0 40 DEAB Cc1cccc(C(=O)N2CC3(CC[C@@H](CN(C)C)CO3)C2)c1 248120847 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40 DEAB CCc1cc(CN2CC[C@](O)(COc3ccc(F)cc3)C2)on1 585278417 SIIMAMOSACWBNE-QGZVFWFLSA-N 320.364 2.392 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)c2c(C)noc2n1 65610351 ZVIVCZSUYFWWAQ-SNVBAGLBSA-N 303.362 2.479 0 40 DEAB Cc1ccsc1C(=O)N1CCCN(Cc2cnn(C)c2)CC1 69630251 QFWKIUBLNWZSSB-UHFFFAOYSA-N 318.446 2.138 0 40 DEAB CCOCCCC(=O)NCc1ccn(-c2ccc(OC)cc2)n1 55613985 GCZPVBQHWIPTTH-UHFFFAOYSA-N 317.389 2.314 0 40 DEAB CC(C)Cn1ccnc1CNC(=O)N(C)Cc1ccncc1 74534541 SUNZZFAXORGYSN-UHFFFAOYSA-N 301.394 2.276 0 40 DEAB CCc1nsc(N2CCN(C(=O)N[C@H]3CCC[C@@H]3C)CC2)n1 96439918 SSXYRXFVTGUNEC-RYUDHWBXSA-N 323.466 2.121 0 40 DEAB O=C(Cc1cc(F)ccc1F)N1CCC[C@@](O)(C(F)(F)F)C1 98016254 DZQXWEQUQNAXKS-ZDUSSCGKSA-N 323.261 2.423 0 40 DEAB O=c1c2nnn(Cc3ccccc3)c2ncn1-c1ccccc1 34417 WRTMNELQRQQCOI-UHFFFAOYSA-N 303.325 2.026 0 40 DEAB CC1(C)CN(Cc2noc(-c3ccsc3)n2)CC[S@@]1=O 89919660 QXTSCUMGPFAFAF-HXUWFJFHSA-N 311.432 2.141 0 40 DEAB Nc1cc(-c2cccs2)nn(CC(=O)c2ccccc2)c1=O 12181340 RDIDUUJEUYKFDR-UHFFFAOYSA-N 311.366 2.437 0 40 DEAB CC(C)C[C@H](NC(=O)CCc1c[nH]c2ccccc12)C(N)=O 13554946 UHBVOMAFHBRMBE-HNNXBMFYSA-N 301.390 2.117 0 40 DEAB COc1ccccc1[C@H](C)NS(=O)(=O)c1c(C)noc1C 16083823 JKYXZOIZKJKEPX-VIFPVBQESA-N 310.375 2.340 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)N2CCCc3c(cnn3C)C2)cc1 19210882 REDXPHZLOXTTME-AWEZNQCLSA-N 313.401 2.471 0 40 DEAB CCn1ncc(CNC(=O)N[C@H](C)c2c(F)cccc2OC)n1 527781675 XXQCRGBTXWUSOV-SNVBAGLBSA-N 321.356 2.006 0 40 DEAB COc1ccc(OCC(=O)OCC(=O)N2CCCCCC2)cc1 3269287 JZQWFSFMTWERRF-UHFFFAOYSA-N 321.373 2.020 0 40 DEAB C[C@H](c1ccccc1)N1CCO[C@@H](C(=O)N2CCCCC2)C1 1888844294 RLVUHZXXSJVMQQ-NVXWUHKLSA-N 302.418 2.461 0 40 DEAB CCOc1ccccc1C(=O)N(C)C1CN(c2ccccn2)C1 1888865704 NVTWCSHHRAEJKE-UHFFFAOYSA-N 311.385 2.441 0 40 DEAB Cc1noc(COC(=O)CSc2nc3ccccc3o2)n1 23382583 IVEMDSFAYVQFEJ-UHFFFAOYSA-N 305.315 2.355 0 40 DEAB COc1cc(C2CC(=O)N(c3ccccn3)C(=O)C2)ccc1O 6659136 INWQFMJLMKZHBI-UHFFFAOYSA-N 312.325 2.233 0 40 DEAB CCS(=O)(=O)Nc1ccc2c(c1)N(C(=O)C(C)(C)C)CC2 13696483 BZWKMXFQCNYHGN-UHFFFAOYSA-N 310.419 2.383 0 40 DEAB CC[C@@H](Sc1nnc2n1CCN2c1ccccc1)C(=O)OC 17268633 MWUUERVWGZFRTN-GFCCVEGCSA-N 318.402 2.474 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1nnc(C2CC2)s1)C1CCCC1 40476037 WQCYNLCTNWIHJY-LLVKDONJSA-N 308.407 2.049 0 40 DEAB OCCCc1cnc2c(c1)c(-c1cccs1)nn2CCO 40555731 ZMMZUXOPNLWBSB-UHFFFAOYSA-N 303.387 2.077 0 40 DEAB C[C@@H](NC(=O)CN1C(=O)CC2(CCCCC2)C1=O)c1ccco1 21626286 BPXUMOSMBXXHTB-GFCCVEGCSA-N 318.373 2.166 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)C1(c2ccc(F)cc2)CC1 23019788 WWFPQQUVEVISAK-UHFFFAOYSA-N 306.381 2.230 0 40 DEAB CCOC(=O)CC1=Nn2c(nnc2-c2cccs2)SC1 81411 GMCWXHUWHFUMQH-UHFFFAOYSA-N 308.388 2.270 0 40 DEAB COc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1OC 422010 GYXIAGYZKXETFA-UHFFFAOYSA-N 324.340 2.240 0 40 DEAB S=C(NCc1nn(-c2ccccc2)c2c1CCC2)NC1CC1 54970254 ZFODSIIWNRXXGC-UHFFFAOYSA-N 312.442 2.488 0 40 DEAB O=CNc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1 78902955 QHOPYRXDKGGDIB-UHFFFAOYSA-N 324.384 2.049 0 40 DEAB COc1ccc2c(ccn2CC(=O)NCCc2ccncc2)c1 79474097 BMCOLSUKXHQEAK-UHFFFAOYSA-N 309.369 2.404 0 40 DEAB CCCNC(=O)CNC(=O)Nc1ccccc1Br 43133505 HCVFSGAMNULXAS-UHFFFAOYSA-N 314.183 2.097 0 40 DEAB Cc1nn(C)c(NC(=O)Cc2c(C)nn(C(F)F)c2C)c1C 106719142 PLZQEQHRKMXNGP-UHFFFAOYSA-N 311.336 2.427 0 40 DEAB CCCNC(=S)N1CCC(NC(=O)c2cccc(F)c2)CC1 4888703 INRZYYPDLZQFMA-UHFFFAOYSA-N 323.437 2.304 0 40 DEAB CCCCCNCc1cc(Cl)c(OCC(N)=O)c(OC)c1 7261236 JKYKEVJNEYTMCU-UHFFFAOYSA-N 314.813 2.493 0 40 DEAB Cc1cccc([C@@H]2CCCN2C(=O)CN2CSCC2=O)c1 56000673 DAVSVVKXZFKMHN-AWEZNQCLSA-N 304.415 2.191 0 40 DEAB COc1cc(CC(=O)O[C@@H](C)C(=O)NC(C)(C)C)ccc1C 26253186 JNMIDCQSJSLVHD-LBPRGKRZSA-N 307.390 2.393 0 40 DEAB COCCOc1ccc(NC(=O)NCc2ccccc2)cn1 57509188 ZTHIGQOXNHOYMV-UHFFFAOYSA-N 301.346 2.429 0 40 DEAB C[C@H](NS(=O)(=O)c1c(F)cccc1Cl)[C@@H]1CCOC1 97147067 MYIILYYLMICRGD-DTWKUNHWSA-N 307.774 2.182 0 40 DEAB O=C(NCCCN1CCCC1=O)Nc1nc2ccccc2s1 10037170 XSYGURFYHSOVDI-UHFFFAOYSA-N 318.402 2.430 0 40 DEAB Cc1cc2n(n1)C[C@H](CNCc1cnn(-c3ccccc3)c1)CN2 58293123 FYYINQORPZFPPU-OAHLLOKOSA-N 322.416 2.209 0 40 DEAB CCc1ccc(C(=O)NCc2cccnc2N2CCOCC2)o1 44913747 CYYVLEXEHIBCMG-UHFFFAOYSA-N 315.373 2.004 0 40 DEAB CCOc1ccc(S(=O)(=O)Cc2nc(C3CC3)no2)cc1 44947550 QZEAHIVGAYAUDR-UHFFFAOYSA-N 308.359 2.320 0 40 DEAB Cc1nn(C)c(N2CCOCC2)c1CN[C@@H](C)c1cccs1 58391845 JZWAGLGMIDOLTI-ZDUSSCGKSA-N 320.462 2.477 0 40 DEAB C[C@H](NC(=O)CCCc1nc(C(C)(C)C)no1)[C@@H]1CCCO1 27902953 NCXGQCWEZVUYFB-RYUDHWBXSA-N 309.410 2.374 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 36398780 YTEAVWREHIDQRX-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB in-vitro COCCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2353977 ISAABIGWLJFQQG-UHFFFAOYSA-N 323.780 2.475 0 40 DEAB O=C(NCC[C@H]1CCCO1)c1nc(N2CCCC2)ncc1Cl 84334894 FHKXBHXISJBFRW-LLVKDONJSA-N 324.812 2.029 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N(C[C@@H]1CCOC1)C1CC1 48251626 IZPBTXGPVHKHRQ-NSHDSACASA-N 301.346 2.311 0 40 DEAB CCOc1ccccc1-n1nnc(C(=O)O)c1-c1ccncc1 62267595 HXIHEBJPHFKNOB-UHFFFAOYSA-N 310.313 2.426 0 40 DEAB in-vitro COc1ccc(C(=O)OCC(=O)Nc2cccc(OC)c2)cc1 3392312 RQNZVBAFCBAMHU-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB Cc1c([C@H](C)NC(=O)[C@@H]2CCC(=O)N2)oc2ccc(F)cc12 69848840 NXMKXBNDBPDFBY-CABZTGNLSA-N 304.321 2.336 0 40 DEAB COC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 48382385 XZGZKNQONOOMCZ-STQMWFEESA-N 318.329 2.470 0 40 DEAB Cc1ccc(OC[C@@H](O)Cn2cnc3ccccc3c2=O)cc1 12854504 WWAOYUBLROHGFR-AWEZNQCLSA-N 310.353 2.145 0 40 DEAB CCOc1ncccc1C(=O)Nc1cccc(-n2cnnn2)c1C 3459214 HWYGZUMHHLMAEG-UHFFFAOYSA-N 324.344 2.017 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1cc(Br)ccc1O 12939816 VFWJIGLIFHHFNX-VIFPVBQESA-N 300.152 2.064 0 40 DEAB CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)N1CCc2cnccc21 96008881 HCSRGHJTQOWGHE-OAHLLOKOSA-N 315.417 2.398 0 40 DEAB Cc1ccccc1CC(=O)N1CCOC[C@H]1c1c(C)n[nH]c1C 95980349 CSHLELZLNCGDOU-INIZCTEOSA-N 313.401 2.478 0 40 DEAB C[C@@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)N(C)C 96002049 WRBJKNABPNXHNE-VIFPVBQESA-N 310.341 2.032 0 40 DEAB COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](C(=O)O)C1 13260791 BSKDRGAOAYFMLZ-SNVBAGLBSA-N 311.765 2.214 0 40 DEAB COc1ccc(C(=O)NCc2ccc(OC)c(C(=O)O)c2)cc1 13392818 CBAAHFSLLSJVQE-UHFFFAOYSA-N 315.325 2.332 0 40 DEAB CC[C@@H]1CN(C(=O)CN2C(=O)c3cccc4cccc2c34)CCO1 64948074 VXBSKSFGYHOERN-CQSZACIVSA-N 324.380 2.437 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)oc1C 95980331 DKULINVNUZUOBH-ZDUSSCGKSA-N 303.362 2.450 0 40 DEAB COc1ccc(OC)c([C@H](O)CNC(=O)Nc2nccs2)c1 65407725 GAZSOQXLOCWWQZ-LLVKDONJSA-N 323.374 2.015 0 40 DEAB O=C(NCCCc1nc2ccccc2[nH]1)NCC(F)(F)F 65488072 FOIIGLWQFSJEJI-UHFFFAOYSA-N 300.284 2.357 0 40 DEAB COC(=O)CNc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C 65516051 VSUMTWHCQGKBDC-GFCCVEGCSA-N 304.390 2.452 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)N(C[C@H]2CCOC2)C2CC2)c1C 65539438 FXKDBWISPIVWFL-CYBMUJFWSA-N 304.390 2.475 0 40 DEAB O=C(CCN1CCN(c2ccccn2)CC1)Nc1ccccc1 14159753 BOVSCTXJYWTIMU-UHFFFAOYSA-N 310.401 2.232 0 40 DEAB NS(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 6471713 BVQUZNOQFORBLF-RMKNXTFCSA-N 320.345 2.125 0 40 DEAB CCOC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 408557364 MYSLQCWCWZNSLZ-VIFPVBQESA-N 305.783 2.058 0 40 DEAB O=C(N[C@@H]1CCCOC1)c1c(F)cccc1Br 95407929 OORVFZGSIWRQHG-MRVPVSSYSA-N 302.143 2.497 0 40 DEAB COc1ccc(Cl)cc1CSCc1nc(N)nc(N)n1 15232334 UQXVEQSIEGGKMM-UHFFFAOYSA-N 311.798 2.131 0 40 DEAB Cc1cc(NC(=O)N2CCCN(CC(F)(F)F)CC2)ccn1 96489198 AJPVDVQYEIKONA-UHFFFAOYSA-N 316.327 2.492 0 40 DEAB COCCN1CCN(C[C@H](O)c2ccccc2Cl)C[C@H]1C 71864781 MMZHZFBKWFIVQB-CJNGLKHVSA-N 312.841 2.026 0 40 DEAB Cc1ccc([C@H](CNCc2c[nH]nc2C)N2CCOCC2)cc1 71819620 DBUWXDFZZIMJFK-SFHVURJKSA-N 314.433 2.190 0 40 DEAB CCS(=O)(=O)CCNC(=O)N[C@H](C)c1cc(C)cc(C)c1 71885961 GLAIXTLNPCHOHT-CYBMUJFWSA-N 312.435 2.098 0 40 DEAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)N2CCCC2)cc1 8282725 LCTVTOWZBPOYAE-LBPRGKRZSA-N 317.418 2.074 0 40 DEAB CN(C)C[C@@H]1CN(Cc2cc(-c3cccs3)on2)CCO1 70016290 VSOVPYPEUQOPDP-CYBMUJFWSA-N 307.419 2.166 0 40 DEAB CCCn1c(SCCOc2ccc(OC)cc2)n[nH]c1=O 8345202 OXIFUDBXADETIU-UHFFFAOYSA-N 309.391 2.161 0 40 DEAB Cc1cnc(C(=O)Nc2ccc(OC[C@H]3CCOC3)cc2)cn1 71914378 KHCAQVKWFXMRLL-ZDUSSCGKSA-N 313.357 2.453 0 40 DEAB O=C1CN(c2ncnc3scc(-c4ccccc4)c23)CCN1 8402926 VJCMRJDRTYIECW-UHFFFAOYSA-N 310.382 2.295 0 40 DEAB COC(=O)[C@@H](C(C)C)N1CCN(C(=O)c2ccc(C)s2)CC1 95963357 WUZWMZMXKNHFHS-CQSZACIVSA-N 324.446 2.012 0 40 DEAB COC(=O)[C@](C)(COc1ccccc1)NC(=O)c1ccoc1C 69567210 UNRGXGJCGSPUEP-KRWDZBQOSA-N 317.341 2.329 0 40 DEAB COc1ccc(C(=O)NCC(=O)Nc2c(C)cccc2C)cn1 17857842 WKVLSUKDTKJDTJ-UHFFFAOYSA-N 313.357 2.076 0 40 DEAB O=C(O)[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(F)c(Cl)c2)C1 97063352 NHAWJBBXFRSEKK-SFYZADRCSA-N 321.757 2.011 0 40 DEAB COCC(=O)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97083268 YFYDWWLFQVOJMU-LBPRGKRZSA-N 303.280 2.252 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN(C)Cc2nnc(C)n2C)cc1 93006915 JFAVFMOFFRLEHU-UHFFFAOYSA-N 310.405 2.454 0 40 DEAB O=C(NC1CCN(C2CC2)CC1)c1[nH]nc(C2CC2)c1Cl 89598194 AWHBZVAKQPCTCM-UHFFFAOYSA-N 308.813 2.297 0 40 DEAB Cc1cc(C)c(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c(=O)[nH]1 89568522 HAKNCTFXXATLKK-DZGCQCFKSA-N 314.385 2.234 0 40 DEAB O[C@@H]1Cc2ccccc2[C@@H]1NCc1cnn(-c2ccccc2)n1 89857649 LBBZOTYHLIAJLQ-MSOLQXFVSA-N 306.369 2.015 0 40 DEAB C[C@H]1CN(CCCc2cnn(C)c2)CCN1C(=O)OC(C)(C)C 76040457 HERZTXQBEGAJJQ-AWEZNQCLSA-N 322.453 2.294 0 40 DEAB CC(C)(C)n1nnnc1SCC[S@](=O)c1ccccc1 76391663 QZQOMYSRKSMVDR-HXUWFJFHSA-N 310.448 2.328 0 40 DEAB Cc1cc(C)cc(C(=O)N2CCN(C(=O)[C@H]3C[C@H]3C)CC2)c1 25220789 LYXVAJFCVPAQBT-ZBFHGGJFSA-N 300.402 2.244 0 40 DEAB Cn1cccc(C(=O)NCC(c2ccco2)c2ccco2)c1=O 675007769 OPCYVLDLLQTJJS-UHFFFAOYSA-N 312.325 2.133 0 40 DEAB Cc1ccc2c(CC(=O)N3CC[C@@]4(CNC(=O)C4)C3)coc2c1 516363744 HJWQVDGCJFQCQF-GOSISDBHSA-N 312.369 2.022 0 40 DEAB Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 35655428 FKGXPSSCXVLNHV-UHFFFAOYSA-N 300.402 2.470 0 40 DEAB Cc1nn(C)c(NS(=O)(=O)c2ccc(F)cc2F)c1C 78612514 RNWJLBXNJLMQLI-UHFFFAOYSA-N 301.318 2.116 0 40 DEAB CCn1cc(C(=O)NCCCOC)c(=O)c2cc(Cl)ccc21 181829501 LGWCKXVGDRSTIH-UHFFFAOYSA-N 322.792 2.441 0 40 DEAB Cc1cc([C@@H](O)CNC(=O)Nc2ccc3c(c2)OCO3)c(C)o1 1565519948 XNRNEKFVPUWJMS-ZDUSSCGKSA-N 318.329 2.480 0 40 DEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2nc(N)sc2c1 216775086 UPAPGACKLVGRJV-SECBINFHSA-N 311.432 2.442 0 40 DEAB Cc1cccc([C@H]2CCCN2S(=O)(=O)c2c(C)n[nH]c2C)n1 72364553 WVAAIGOGOVSNKU-CQSZACIVSA-N 320.418 2.256 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](CN(CC(=O)O)C2CC2)C1 79392419 GQCKPNSFSNCUHU-LBPRGKRZSA-N 312.410 2.183 0 40 DEAB Cc1nccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)n1 72389894 BFCWAQQMIDJMNI-CQSZACIVSA-N 322.372 2.220 0 40 DEAB C[C@]1(C(=O)NCCCn2cccn2)CC(c2cccs2)=NO1 226747475 AUHFCZCNSFBZKO-OAHLLOKOSA-N 318.402 2.034 0 40 DEAB O=C(Nc1cnc2ccnn2c1)c1ccc(C(F)(F)F)nc1 225574405 PBNCBHCCMCSWAP-UHFFFAOYSA-N 307.235 2.395 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)c(F)c1 225543574 XHJBNBXPAZRFOX-MGPLVRAMSA-N 323.343 2.086 0 40 DEAB Cc1noc([C@H]2CCCCN2C(=O)c2nnc3ccccc3n2)n1 40714864 PTVRXXXMXDSFEO-CYBMUJFWSA-N 324.344 2.084 0 40 DEAB Cc1c(NC(=O)[C@@H]2CCN(c3ccccc3Cl)C2)nnn1C 578302004 YCZQHSHQIURTKB-LLVKDONJSA-N 319.796 2.242 0 40 DEAB CCS(=O)(=O)CCN1CCC(Nc2cccc(C)c2)CC1 96421194 YWELJFSTMYDOBL-UHFFFAOYSA-N 310.463 2.306 0 40 DEAB COC[C@@H](C)CN(C)S(=O)(=O)c1c(F)cccc1Cl 96503241 OSSHLTATUPLWLX-VIFPVBQESA-N 309.790 2.382 0 40 DEAB COc1ccc(CN2CC[C@@H]3[C@@H](CO[C@H]3CN(C)C)C2)cc1 96056205 JYLHMDMDEUISAD-NXHRZFHOSA-N 304.434 2.094 0 40 DEAB Cc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(C(N)=O)n2)o1 96485609 PJMCUZRPJSUTHX-LBPRGKRZSA-N 314.345 2.451 0 40 DEAB CC(C)NC(=O)[C@@H]1C[C@@H]2CCN(Cc3cccs3)C[C@H]2O1 96058229 WKGOETUTECCRPA-AEGPPILISA-N 308.447 2.252 0 40 DEAB CC(C)(C)CN1CC2(CCN(S(=O)(=O)c3ccccc3)C2)C1 96070732 AIZGHRYAEYQESV-UHFFFAOYSA-N 322.474 2.429 0 40 DEAB O=C(c1cccnc1)N1CCC[C@@]2(CCN(c3ncccn3)C2)C1 96158155 HZBLUQXIISSYPW-GOSISDBHSA-N 323.400 2.004 0 40 DEAB CO[C@H](CNS(=O)(=O)c1ccc(N)cc1)c1ccc(F)cc1 97375666 JUXRXCXFGDLUDG-OAHLLOKOSA-N 324.377 2.074 0 40 DEAB O=C1C[C@H](c2ccccc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1 96199614 KVJVPJLUZKQZIN-OAHLLOKOSA-N 323.396 2.293 0 40 DEAB c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCCN3CC2CCOCC2)c1 96057982 BCHWWYZHHUMTHR-RCCFBDPRSA-N 318.417 2.119 0 40 DEAB O=C(c1ccoc1)N1C[C@H]2CN(c3ccsc3)C(=O)[C@H]2C1 96053692 PKGQIUBAKQEJIK-AAEUAGOBSA-N 302.355 2.076 0 40 DEAB CN1CC[C@@H](NC(=O)Nc2cnns2)[C@H]1c1ccccc1 249041191 NDRONUWWVJEILM-DGCLKSJQSA-N 303.391 2.105 0 40 DEAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)COc1ccccc1 245204900 IZUPNTFSLGOKMC-CFVMTHIKSA-N 303.358 2.310 0 40 DEAB O=C(c1cnn2cccnc12)N1CCC(Cc2ccncc2)CC1 257245675 IQOKMGZBGYPHLT-UHFFFAOYSA-N 321.384 2.219 0 40 DEAB CCCCOCCCNC(=O)N1C[C@@H]2CN3CCCC[C@H]3[C@H]2C1 252477766 VFLZEEQVIJCYCA-ULQDDVLXSA-N 323.481 2.319 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cnc(-c3c(C)noc3C)cn2)C1 257232146 GJPOMQHMEBHLSH-ZDUSSCGKSA-N 300.362 2.159 0 40 DEAB CCCCc1ccc(N/C=c2\sc3ncnn3c2=O)cc1 256055586 MDJUVFHRCGNENJ-LCYFTJDESA-N 300.387 2.063 0 40 DEAB CCc1cc(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)no1 257205931 BBCLQXNTDOMQOU-GFCCVEGCSA-N 302.378 2.363 0 40 DEAB Cc1ccc(C2=NO[C@@H](CNC(=O)[C@H]3CCCOC3)C2)cc1C 252481822 CTFQANXSMFBMIP-JKSUJKDBSA-N 316.401 2.339 0 40 DEAB C[C@@]12CC[C@@H](C[C@H]1C(=O)O)[C@]1(C2)NC(=O)c2ccccc2N1 253590062 AZPLWPZLMZHDCB-GMRXNFQLSA-N 300.358 2.449 0 40 DEAB Cc1ccc(CN2CCO[C@H](c3ncc(CN(C)C)[nH]3)C2)s1 257297718 RIOSJFNDARBXKY-HNNXBMFYSA-N 320.462 2.415 0 40 DEAB CC(=O)N1CCN(C(=O)c2cscn2)[C@@H](c2ccccc2)C1 257333548 YCAQHALOVMJMIU-OAHLLOKOSA-N 315.398 2.189 0 40 DEAB O=C1N[C@@H](C(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CS1 280687449 NAVUHZMTVPGWTB-WHGOUJPWSA-N 314.769 2.276 0 40 DEAB CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2cc[nH]n2)C1 585273873 FKVQZIAMFWGSPG-INIZCTEOSA-N 305.353 2.219 0 40 DEAB CCNC(=O)c1cccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 43680425 WENPKWHGNFIMIN-VXGBXAGGSA-N 305.378 2.077 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1ccccn1 78880328 RELZFDZXODTRLG-PBHICJAKSA-N 300.406 2.299 0 40 DEAB C[C@@H](CO)CS(=O)(=O)Cc1ccc(Br)s1 78811850 OJNMTNDUYBZXPI-ZETCQYMHSA-N 313.238 2.054 0 40 DEAB Cc1nc([C@@H]2CCCN2Cc2ccc(C(=O)N(C)C)cc2)no1 76018018 AMXVHJOUTBRIFZ-HNNXBMFYSA-N 314.389 2.417 0 40 DEAB Cn1cnnc1CNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1 42044717 HSUGVCUWXGZLSZ-UHFFFAOYSA-N 312.417 2.461 0 40 DEAB C[C@@H]1CCCN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)C1 12417765 BBTASTMGRPPMCO-LLVKDONJSA-N 317.414 2.274 0 40 DEAB biogenic,in-vitro O=C(CSc1ncnc2nc[nH]c12)N1CCc2ccccc21 13578887 BIEIAMJMAFPCET-UHFFFAOYSA-N 311.370 2.034 0 40 DEAB Cc1cccc(-n2c(=S)[nH]c3cc(C(=O)O)ccc3c2=O)n1 15424390 BWNXOWPYUIHUIP-UHFFFAOYSA-N 313.338 2.450 0 40 DEAB Cc1cc(N2CCC[C@@H]2C(=O)O)c(Cl)cc1S(C)(=O)=O 15443237 SRWRBFGKDXWYRH-SNVBAGLBSA-N 317.794 2.105 0 40 DEAB COc1ccc2cc(CNc3c(C)cc[nH]c3=O)c(=O)[nH]c2c1 19238229 OTEUSZYVNVDWSE-UHFFFAOYSA-N 311.341 2.146 0 40 DEAB O=c1/c(=C/c2ccccc2)sc2nc(-c3ccccc3)nn12 124306 VEBNZNYQRULYBZ-KAMYIIQDSA-N 305.362 2.366 0 40 DEAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)O)c1 13073721 WOMHDSZTBGITSX-UHFFFAOYSA-N 323.345 2.345 0 40 DEAB Cc1sc2nc([C@H](C)Sc3n[nH]c(N)n3)[nH]c(=O)c2c1C 13598345 NVYIVPJVLANXME-LURJTMIESA-N 322.419 2.155 0 40 DEAB C/C=C1/CN2[C@H]3C[C@@H]1[C@H]1C(=O)[C@@]4(C[C@@H]12)c1cccc(O)c1N(C)[C@H]34 248092637 VVLPFXAEVKKWTK-QBXUZGNMSA-N 322.408 2.070 0 40 DEAB biogenic O=C(N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1)C1(F)CCC1 1614936760 NCBRMVIXASEMQT-CQSZACIVSA-N 318.392 2.124 0 40 DEAB Cc1ccccc1C(=O)N1CCC2(CC(NC(=O)N(C)C)C2)C1 1565550602 DFTMYRZYWQQYQI-UHFFFAOYSA-N 315.417 2.261 0 40 DEAB O=S(=O)(NCC1CCN(Cc2ccsc2)CC1)C1CC1 43944334 RERIMWNLSJYPMD-UHFFFAOYSA-N 314.476 2.042 0 40 DEAB Cc1nccc(O[C@H]2CCN(C(=O)NCc3cccs3)C2)n1 585147366 JRNSCELIHHIXLU-LBPRGKRZSA-N 318.402 2.209 0 40 DEAB O=C(Nc1ccc2cn[nH]c2c1)C1CCN(c2cnccn2)CC1 78561962 UUKSXBPBVXZTRK-UHFFFAOYSA-N 322.372 2.208 0 40 DEAB COc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1 79438973 VHNKYQZEZPOYKV-UHFFFAOYSA-N 322.409 2.321 0 40 DEAB O=S(=O)(NCCCn1cccn1)c1ccc2c(c1)CCCC2 40072322 FVUVRFGPJJCMIY-UHFFFAOYSA-N 319.430 2.131 0 40 DEAB CC[C@@H]1CCCCN1C(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 50124663 ODEHAUOJHCJJHH-KFWWJZLASA-N 320.433 2.343 0 40 DEAB COC(=O)c1c(NC(=O)/C=C\C(=O)O)sc2c1CC[C@@H](C)C2 100269803 RSALICGIYNRVAK-RPSMYOMKSA-N 323.370 2.239 0 40 DEAB CCc1ccccc1N1C[C@H](C(=O)Nc2nncs2)CC1=O 20371900 ZPCVZNNOFYMRKH-LLVKDONJSA-N 316.386 2.092 0 40 DEAB C[C@@H](c1nc(C(C)(C)C)no1)N1CCC(C(=O)N(C)C)CC1 40493988 IQLAFFGMCAWVRQ-NSHDSACASA-N 308.426 2.228 0 40 DEAB Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 40540571 UJUXAMPOLQCOCU-VXGBXAGGSA-N 314.393 2.481 0 40 DEAB C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cnn(C)c1 40528098 ULSWNNAZUHHLAN-VIFPVBQESA-N 315.345 2.080 0 40 DEAB CCn1c(S)nc2cc(C(=O)N[C@@H](C)C(C)C)ccc2c1=O 101788788 ISYNTAPXZRIKBR-JTQLQIEISA-N 319.430 2.479 0 40 DEAB COc1ccc([C@H](O)CNC(=O)c2cc(C(C)C)[nH]n2)cc1 52741988 OBANJWGMFYEOBY-OAHLLOKOSA-N 303.362 2.005 0 40 DEAB NC(=O)c1cnc(NC[C@@H]2COc3ccccc3O2)c(Cl)c1 54042150 AOCVNBNUBBVSPW-SNVBAGLBSA-N 319.748 2.086 0 40 DEAB CCN(CC)C(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O 135072 FUDFEGYGPHVGMC-AWEZNQCLSA-N 302.374 2.176 0 40 DEAB Cn1c(SCC(=O)N2CCCC2)nnc1-c1ccccc1 375409 ZBECQIYHSRRWPG-UHFFFAOYSA-N 302.403 2.197 0 40 DEAB Cc1ccc(CNC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1 419582 CRNFQAIGDMMEBP-UHFFFAOYSA-N 321.384 2.273 0 40 DEAB O=C(CNc1ccccc1N1CCCC1=O)NCc1ccco1 24223185 XUTAPTOUKSXMOK-UHFFFAOYSA-N 313.357 2.135 0 40 DEAB CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccccc2Cl)s1 105739729 XQUMHRKXEHBIHH-WNEGCBGQSA-N 321.829 2.314 0 40 DEAB Cc1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)no1 24535713 ZUAZUFPTKOUMFO-CQSZACIVSA-N 300.362 2.379 0 40 DEAB Cc1nc(CCNC(=O)NC[C@@H](c2ccco2)N(C)C)cs1 47793023 PLKUJUJRACFBNH-ZDUSSCGKSA-N 322.434 2.189 0 40 DEAB O=c1c(-c2ccnn2-c2ccccc2F)cnc2n1CCS2 1393632 VFXXEKAJEGQNMJ-UHFFFAOYSA-N 314.345 2.341 0 40 DEAB Nc1cc(-c2ccc(Cl)cc2)nn1[C@@H]1CCS(=O)(=O)C1 26423733 ZMUFSATWWRPCCV-LLVKDONJSA-N 311.794 2.145 0 40 DEAB O=C(NCc1ccccc1CN1CCCCC1)c1cnccn1 10281573 DJJWWZAYFHTULP-UHFFFAOYSA-N 310.401 2.393 0 40 DEAB COC(=O)c1ccccc1NNC(=O)c1ccnc(SC)c1 95465464 MUKRRGWRYXFCIF-UHFFFAOYSA-N 317.370 2.347 0 40 DEAB COc1ccc(Br)cc1[C@@H]1CCCN1CC(N)=O 58340924 ZYYZGGRLHYNOQL-NSHDSACASA-N 313.195 2.080 0 40 DEAB Cc1ccc(-n2nc(C)c(C(=O)N3CCO[C@@H](C)C3)n2)c(C)c1 11496383 KFNGLWRKEMVHGR-ZDUSSCGKSA-N 314.389 2.053 0 40 DEAB CC(=O)c1ccc(OC[C@H](O)CNCc2cccs2)cc1 2661988 IISUGOAWMSSHGE-CQSZACIVSA-N 305.399 2.480 0 40 DEAB COC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 37287135 KUWMYOYBXPDNOT-UHFFFAOYSA-N 321.192 2.176 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)O)CC1 37407894 ISAPEMNKYRRRMK-JTQLQIEISA-N 311.765 2.431 0 40 DEAB Fc1ccc(CN2CC[C@@]3(C[C@@H](n4cnnc4)CO3)C2)cc1 107786321 WHDVPFXQBHJCDM-HZPDHXFCSA-N 302.353 2.023 0 40 DEAB CC(C)[C@@H](Sc1ncnc2ccsc12)C(=O)NC(N)=O 22004786 ZSXFQYYNRLBGQI-MRVPVSSYSA-N 310.404 2.003 0 40 DEAB C[C@H](SCc1ccccc1)C(=O)NCCNc1ncccn1 48355115 LLFWDDKNJWGMKZ-ZDUSSCGKSA-N 316.430 2.327 0 40 DEAB O=C(COc1ccccc1O)Nc1ccc2c(c1)OCCO2 84507103 HDEIADOXGZQHPZ-UHFFFAOYSA-N 301.298 2.181 0 40 DEAB C[C@H](Sc1nncs1)C(=O)NCc1ccc2c(c1)OCO2 3413155 CBMJHXDZVPTAPG-QMMMGPOBSA-N 323.399 2.064 0 40 DEAB CN(Cc1ccccc1)C(=O)COc1ccc(CC(=O)O)cc1 13420654 JFFVUPSISKWNGS-UHFFFAOYSA-N 313.353 2.351 0 40 DEAB Cc1nc(S[C@@H](C)C(=O)O)[nH]c(=O)c1Cc1ccccc1 5130088 MKLSXKGEZOUPPD-JTQLQIEISA-N 304.371 2.234 0 40 DEAB CNc1nnc(-c2sc3nc4n(c(=O)c3c2C)CCC4)s1 4387490 XDFBQSKDPVVNGF-UHFFFAOYSA-N 319.415 2.273 0 40 DEAB COCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14084824 CNBYDKKWUBXNQY-UHFFFAOYSA-N 317.364 2.266 0 40 DEAB Cc1cccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)c1 65531663 OXJRDQVKJRNDAJ-KBPBESRZSA-N 324.446 2.063 0 40 DEAB COC(=O)c1ncn(CN2CCC[C@H]2c2ccc(C)c(C)c2)n1 65553437 URKGNQKMWMFYEP-HNNXBMFYSA-N 314.389 2.476 0 40 DEAB Cn1c(SCc2ccc(C(N)=O)cc2)nnc1C(F)(F)F 14138769 AJEKMCHNZLVSFK-UHFFFAOYSA-N 316.308 2.225 0 40 DEAB O=c1[nH]c(CCN2CCO[C@@H]3CCCC[C@@H]32)nc2ccccc12 65606271 KZRUMRHJHDYRNQ-JKSUJKDBSA-N 313.401 2.109 0 40 DEAB Cc1sc(-n2cccc2)c(C(=O)NC[C@H]2COCCO2)c1C 65656970 LTKBNFQUUKRAQM-ZDUSSCGKSA-N 320.414 2.301 0 40 DEAB CC(C)(C)NC(=O)CSc1nnc2[nH]c3ccccc3n12 6459269 RPZQBBJAENALMO-UHFFFAOYSA-N 303.391 2.217 0 40 DEAB Cc1nc([C@@H]2COCCN2C(=O)/C=C/c2ccc(F)cc2)no1 95468262 GZRQVDDSHOEYMB-GBXSZLQWSA-N 317.320 2.130 0 40 DEAB O=C1CN(C(=O)CN2CCCc3ccccc32)c2ccccc2N1 6653067 UDMGAUHAPPOIQZ-UHFFFAOYSA-N 321.380 2.425 0 40 DEAB O[C@H](C[C@H]1COCCN1CCc1ccncc1)c1ccco1 95418549 YQLCWAZNRLEGPL-JKSUJKDBSA-N 302.374 2.042 0 40 DEAB CC1CCN(C(=O)CN2CCO[C@H](c3cccc(F)c3)C2)CC1 66849410 PMFAERWIWJHDJN-KRWDZBQOSA-N 320.408 2.458 0 40 DEAB C[C@@H]1CN(c2ccc3c(Cl)ccnc3c2F)C[C@@H](C(N)=O)O1 95413887 DCOBZAVEZJLDRM-PELKAZGASA-N 323.755 2.106 0 40 DEAB COc1ccccc1CC(=O)N[C@@H](c1nc(C)n[nH]1)C(C)C 96418550 NBKKFOCSQNBTIF-OAHLLOKOSA-N 302.378 2.178 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)nn1C 96484536 HEONHNHBVDENCU-AAEUAGOBSA-N 300.362 2.415 0 40 DEAB COc1ccc(NC(=O)C[C@@H]2CCCO2)c(C(=O)NC2CC2)c1 71883089 PIVGKZOAFVCWSX-ZDUSSCGKSA-N 318.373 2.095 0 40 DEAB Cc1noc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1 71822688 WVBZCYMHDQZBLJ-UHFFFAOYSA-N 306.391 2.092 0 40 DEAB C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc2c(c1)OCO2 17054188 KRGANEBWHQKIFL-DRZSPHRISA-N 317.341 2.260 0 40 DEAB C[C@](O)(CNC(=O)CCc1cccnc1)c1ccc(F)cc1F 71907899 HDLPGNWHGAMKCG-KRWDZBQOSA-N 320.339 2.316 0 40 DEAB COc1c(C)cnc(Cn2nc(-c3ccco3)oc2=O)c1C 71905479 APDLHSINLMDAIO-UHFFFAOYSA-N 301.302 2.165 0 40 DEAB O=S1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 69538810 DBTXQPIEAYKDRD-UHFFFAOYSA-N 315.320 2.217 0 40 DEAB COC(=O)c1cccn1C1CCN(C(=O)CCOC(C)C)CC1 69527478 KRVUAGPGOFCQLD-UHFFFAOYSA-N 322.405 2.253 0 40 DEAB Cc1ccn2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)nc2c1 69877068 XIHXMDVVXRIGCU-CQSZACIVSA-N 309.373 2.317 0 40 DEAB CCC[C@H](O)CC(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 69974239 GVUZBTXNOGHHON-JSGCOSHPSA-N 305.374 2.059 0 40 DEAB O=C(N1CCCC1)N1Cc2ccnn2[C@@H](CCOCC2CC2)C1 306132917 LWHPLZIWEXLKKW-INIZCTEOSA-N 318.421 2.272 0 40 DEAB Cc1c(Br)c(C(=O)NCCc2ccccc2)nn1C 28304285 NJUICTLADXAUOH-UHFFFAOYSA-N 322.206 2.464 0 40 DEAB Cn1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)c1 97022770 CDRKZYWWMCOWDV-ZDUSSCGKSA-N 322.206 2.104 0 40 DEAB CN(C[C@@H]1CCCC[C@H]1O)C(=O)NC[C@@H]1Cc2ccccc2O1 97049199 CRPFGXWEVGYYSS-HRCADAONSA-N 318.417 2.183 0 40 DEAB CC[C@]1(C)NC(=O)N(CCCNc2ncccc2Cl)C1=O 95964916 QNQFBPADKVUKQP-AWEZNQCLSA-N 310.785 2.258 0 40 DEAB Cc1occc1C(=O)N[C@@](C)(COc1ccccc1)C(=O)O 89540622 IWXIWMKKXWGRHE-INIZCTEOSA-N 303.314 2.240 0 40 DEAB Cc1cc(=O)c(C(=O)N2C[C@H]3CCC[C@@H]3C2)nn1-c1ccccc1 89568461 HBUNHDYQGONOCK-HUUCEWRRSA-N 323.396 2.413 0 40 DEAB COc1ccccc1[C@H](C)CNC(=O)c1c(C)nn(C)c1OC 89512464 WBLQDBIOSJGIBZ-LLVKDONJSA-N 317.389 2.279 0 40 DEAB O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)c1ccc2nncn2c1 89858030 KDQIYDWTAIBNFS-KXBFYZLASA-N 318.380 2.363 0 40 DEAB CCC(=O)N1CSC[C@@H]1C(=O)N[C@@H]1C[C@@H]1c1ccc(F)cc1 89941743 OBDXNHZOQOYPNC-MGPQQGTHSA-N 322.405 2.109 0 40 DEAB COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)c1 409134252 NXGVYNWHLMYELT-IZZDOVSWSA-N 307.327 2.125 0 40 DEAB Cn1ccs/c1=N/C(=O)CC[C@@H]1Cc2ccccc2NC1=O 22900294 OLTCHVIVHQBSNP-XCHVRBFASA-N 315.398 2.105 0 40 DEAB Cc1sc(C(=O)O)cc1CN1CCOC[C@H]1[C@@H]1CCCO1 519829135 SBFILXVZBXZOIS-STQMWFEESA-N 311.403 2.135 0 40 DEAB COCCCn1ccc(Nc2nccc(C(F)(F)F)n2)n1 78334589 HCZAXPCXRYGWPU-UHFFFAOYSA-N 301.272 2.472 0 40 DEAB CC(=O)N1CCCC[C@H]1c1cc(Nc2cnccn2)nc(C)n1 72382668 VVVRRTLJMWMTFA-AWEZNQCLSA-N 312.377 2.392 0 40 DEAB Cc1cccc(OCCCN2C(=O)N[C@]3(CCSC3)C2=O)c1 26397978 LXYOTRXUGKIOQM-INIZCTEOSA-N 320.414 2.191 0 40 DEAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccn(CC)n2)cc1 36615259 JMZAJNLUMVZDJJ-UHFFFAOYSA-N 323.418 2.122 0 40 DEAB Oc1ccc2c(c1)OC[C@H]1c3cc4c(c(O)c3O[C@@H]21)OCO4 35465625 UCNVIHSLCUJYAL-HZMBPMFUSA-N 300.266 2.436 0 40 DEAB biogenic,in-vitro Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(F)cc3)[C@H]2N)cc1 218562034 LQWDJTHPWRVSPY-ARFHVFGLSA-N 305.374 2.401 0 40 DEAB CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 223252131 ODNXWUXNBOGPDB-GJZGRUSLSA-N 316.430 2.209 0 40 DEAB O=C(O)C[C@@H](NC(=S)Nc1ncccn1)c1ccc(F)cc1 225216806 YXTYLDNDOFDRFK-LLVKDONJSA-N 320.349 2.118 0 40 DEAB C[C@@]1(C(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)CCCOC1 571283918 FUQOYQFIKBMMPD-RVKKMQEKSA-N 317.385 2.130 0 40 DEAB CCOC(=O)c1cnc2cc(C(=O)OC)ccc2c1N(C)C 40174326 IGVCMJFNPPRJAQ-UHFFFAOYSA-N 302.330 2.264 0 40 DEAB Cc1ccc2c(cnn2CCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 40758703 QNECOVQOWZLZPD-OKILXGFUSA-N 301.390 2.371 0 40 DEAB CN1CC[C@H](Nc2cccc(S(=O)(=O)C3CCCC3)c2)C1=O 81152421 NUCVFTRNCBUMSG-HNNXBMFYSA-N 322.430 2.046 0 40 DEAB C[C@H](c1nnnn1C)N1CC(OCc2cccc3ccccc23)C1 225547217 VECZMEIXYAMIGG-CYBMUJFWSA-N 323.400 2.325 0 40 DEAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2F)cn1 97237775 RAFUTYYWWLWFPX-UHFFFAOYSA-N 310.350 2.445 0 40 DEAB Cc1nc(COC(=O)[C@H]2CCCN(C(=O)C3CC3)C2)sc1C 96442731 MZFLFQOUPHBOSI-ZDUSSCGKSA-N 322.430 2.452 0 40 DEAB COC[C@@H]1CCC2(CCN(Cc3cccnc3OC)CC2)N1C 96216217 DPZIRUVFWVKVEZ-INIZCTEOSA-N 319.449 2.165 0 40 DEAB CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)c2ccc(O)cc2F)C1 97100592 VCLZNZPZGCYQGZ-VXGBXAGGSA-N 322.380 2.345 0 40 DEAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)NCCS(C)(=O)=O)cc1 96418251 IWKSYDRHSQXXFO-GJZGRUSLSA-N 309.431 2.074 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1c[nH]nc1-c1cccc(Cl)c1 96461512 MFYDYXHXXDXQGR-QMMMGPOBSA-N 307.737 2.021 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccccn1)c1cccc(Cl)c1 96454739 UKGUGNOHBUIPBM-LBPRGKRZSA-N 304.777 2.316 0 40 DEAB O=C(CC1CC1)N1Cc2nccn2C[C@@H](COCC2CC2)C1 96187926 CHBDOCCVUSGRGW-OAHLLOKOSA-N 303.406 2.068 0 40 DEAB CCC[C@@H]1SCCN1S(=O)(=O)c1cnn(C(C)C)c1 97230404 OXZOMGLURLZNLC-LBPRGKRZSA-N 303.453 2.328 0 40 DEAB CCOC[C@]12COC[C@H]1CN(C(=O)CCc1ccccc1)C2 96108667 OLPNACKZMCYRKF-SJLPKXTDSA-N 303.402 2.131 0 40 DEAB CCc1cc(CNC(=O)NCc2cccc(NC(C)=O)c2)on1 96421458 IHNCVYQDZJUKEA-UHFFFAOYSA-N 316.361 2.195 0 40 DEAB O=C(NCc1cccs1)N1CCC(Oc2cnccn2)CC1 90678113 RATZQHGAAYQGFZ-UHFFFAOYSA-N 318.402 2.291 0 40 DEAB CN(C)c1ncc(CN2CCN(C)[C@H](c3ccccc3)C2)cn1 257318851 VPQPFSCLJSTPGV-KRWDZBQOSA-N 311.433 2.031 0 40 DEAB COc1ccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3OC)cc1 257200539 ADSUITGYYGRLET-INIZCTEOSA-N 319.401 2.495 0 40 DEAB 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DHIPLQMGWFZGFR-UHFFFAOYSA-N 302.827 2.406 0 40 DEAB C[C@H](CC[C@@H]1CCCO1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 110571932 BJFGHFBXASYXAZ-KBMXLJTQSA-N 322.449 2.099 0 40 DEAB CN1C(=O)C(=O)c2cc(Br)cc(Br)c21 2766455 ODXDHCRLKIARJX-UHFFFAOYSA-N 318.952 2.371 0 40 DEAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 12293007 NBCANGAPOTVRPB-UHFFFAOYSA-N 312.325 2.343 0 40 DEAB CC(C)Oc1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1 3332801 CGJOSXYODOYHBX-UHFFFAOYSA-N 319.279 2.309 0 40 DEAB O=C(COC(=O)c1cnccn1)Nc1ccc2ccccc2c1 3315609 XMJBJWIHTYPETO-UHFFFAOYSA-N 307.309 2.425 0 40 DEAB CC[C@H](Oc1cccc(OC)c1)C(=O)NC1CCN(C)CC1 113951430 JKRYROOSRWQEIH-INIZCTEOSA-N 306.406 2.063 0 40 DEAB Cc1cc(NC(=O)COc2cc(Cl)ccc2C(=O)O)no1 13085456 XGMDBSPMFUJYEC-UHFFFAOYSA-N 310.693 2.352 0 40 DEAB CCOC(=O)C(C)(C)C(=O)NCc1c(F)c(F)cc(F)c1F 95447253 OTIAXVQVTPBFDT-UHFFFAOYSA-N 321.270 2.449 0 40 DEAB Cc1ccccc1C(=O)NCC(=O)N1CCc2sccc2C1 39539538 NCOCOPHGWHVYGQ-UHFFFAOYSA-N 314.410 2.371 0 40 DEAB CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)OC 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323.466 2.192 0 40 DEAB Cc1cc(SCC(=O)N2CCNC2=O)nc2ccccc12 9911696 YCJIHTKLSTXBOU-UHFFFAOYSA-N 301.371 2.187 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 75131107 BRUPRMZHFHQPRQ-CQSZACIVSA-N 314.389 2.381 0 40 DEAB Cc1ccc(N2CCCN(C(=O)c3ccccc3C)CC2)nn1 89689109 YJENIEWLNCNGND-UHFFFAOYSA-N 310.401 2.446 0 40 DEAB CC(C)(C)c1ccc(NC(=O)NCCCn2cccn2)nn1 89725109 ATRUEOWAAFGDQT-UHFFFAOYSA-N 302.382 2.182 0 40 DEAB COc1ccccc1N1CCC[C@@H](NC(=O)C=C(C)C)C1=O 89914076 WQORUFIGSDMWMT-CYBMUJFWSA-N 302.374 2.273 0 40 DEAB O=C(/C=C/c1cc2cc(Br)ccc2o1)NCCO 67339391 HUZGVTMZSUSSMW-DUXPYHPUSA-N 310.147 2.317 0 40 DEAB Cn1[nH]c([C@@H]2CCCN2c2ccnc(-c3ccccc3)n2)nc1=N 521395178 UKCXYAWMYJQIQG-ZDUSSCGKSA-N 321.388 2.026 0 40 DEAB O=C(CNc1ccccc1)CN1CCN(c2ccccc2)CC1 37065704 BTQKOKXGIIIGRW-UHFFFAOYSA-N 309.413 2.490 0 40 DEAB CN(CCN(C)C1CCCCC1)C(=O)c1cccc2nn[nH]c12 187587029 USSUSAMXMJRFTD-UHFFFAOYSA-N 315.421 2.294 0 40 DEAB Cc1noc(CCNC(=O)/C=C/c2cn(C)c3ccccc23)n1 79812926 TWLWZKMKSCOLBQ-BQYQJAHWSA-N 310.357 2.242 0 40 DEAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H](C)NC(N)=O 79320772 HKZAAOMNYPRKAV-BPLDGKMQSA-N 303.406 2.228 0 40 DEAB Cc1cc(C(=O)NCCCO)c2c(C)nn(-c3ccccc3)c2n1 32648354 JZUORBZDXZEODZ-UHFFFAOYSA-N 324.384 2.150 0 40 DEAB O=C1N[C@]2(C[C@H]3CC[C@@H]2N3Cc2ccncc2)Nc2ccccc21 72327427 DISJTXFLJNDMLU-LJHODMEESA-N 320.396 2.370 0 40 DEAB FC(F)(F)c1ccc(N2CC[C@H](CN3CCOCC3)C2)nc1 78404757 SRADZMSMCYZJHB-GFCCVEGCSA-N 315.339 2.259 0 40 DEAB CC(=O)N1CCC[C@H](c2cccc(NCC3(C)COC3)n2)C1 72365514 PZKVOAZGNQLOKK-AWEZNQCLSA-N 303.406 2.256 0 40 DEAB CCOc1ccccc1NC(=O)c1cc(N2CCOCC2)on1 224076310 HZMBVAQJBLERHB-UHFFFAOYSA-N 317.345 2.162 0 40 DEAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 222485527 MZDWTFWXEOQWIQ-LOWDOPEQSA-N 307.733 2.241 0 40 DEAB O=C(c1ccoc1)N1CC(n2cc(COc3ccccc3)nn2)C1 225628009 LYVJVDATJIKDPC-UHFFFAOYSA-N 324.340 2.147 0 40 DEAB CN(Cc1csc(Br)c1)[C@H]1CCS(=O)(=O)C1 47705261 WGLZQMLSMKXYLD-VIFPVBQESA-N 324.265 2.130 0 40 DEAB O=C(O)c1nc(Cl)c(N2CCCC2)nc1Br 225748832 PMPADHQSKKROIY-UHFFFAOYSA-N 306.547 2.191 0 40 DEAB CCC(=O)[C@@H]1CCCCN1C(=O)c1cnn2ccc(C)nc12 195567724 NKOXFQFTOFWUIZ-ZDUSSCGKSA-N 300.362 2.012 0 40 DEAB NC(=O)[C@@H]1CCCC[C@H]1NCc1csc([C@@H]2CCCO2)n1 195572387 AGGDQZIVVFGNDL-UPJWGTAASA-N 309.435 2.128 0 40 DEAB COc1ccc(F)cc1[C@@H](C)NC(=O)COC[C@@H]1CCCNC1 195549491 JWXNNJOSHKTTDF-CHWSQXEVSA-N 324.396 2.028 0 40 DEAB CCS[C@H]1CCC[C@@H]1NC(=O)CNC(=O)c1ccccc1 96450558 XMGLIGNOJGEILJ-KBPBESRZSA-N 306.431 2.207 0 40 DEAB Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)CC(=O)c1cccs1 96487243 HSIZVWABCQTSEV-SECBINFHSA-N 304.371 2.136 0 40 DEAB Cc1ccc(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c(N(C)C)n1 96484540 LRFDOOBORWKLDZ-JSGCOSHPSA-N 306.410 2.081 0 40 DEAB CCONC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 95442224 CCYHXCLOUMAEGT-NOZJJQNGSA-N 314.744 2.066 0 40 DEAB c1cnc(NC[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)nc1 96075796 SESLLRUXPFAIIQ-NVXWUHKLSA-N 302.422 2.170 0 40 DEAB CC(C)N1CC[C@@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@@H]2C1 96251889 FVRRYZJZLFNMDK-SJORKVTESA-N 322.474 2.072 0 40 DEAB Cn1cc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cn1 96124572 QFYFJLKWNAPJRK-IZZDOVSWSA-N 319.267 2.366 0 40 DEAB O=C([C@H]1CCC2(CCN(Cc3ccoc3)CC2)O1)N1CCCC1 96061224 AFJJKOXCZRVOSS-MRXNPFEDSA-N 318.417 2.416 0 40 DEAB O=C1N(c2ccc3c(c2)OCO3)CC12CCN(CC1CC1)CC2 96202982 SFQCZRLGJJBENC-UHFFFAOYSA-N 314.385 2.254 0 40 DEAB COc1ncccc1C(=O)N1CC[C@H](Oc2cccc(C)n2)C1 238937551 VRLGCVCWRPZPCH-ZDUSSCGKSA-N 313.357 2.087 0 40 DEAB Cn1ncc(C(=O)Nc2ccnn2CC2CC2)c1-n1cccc1 96476157 JJUIBGAVELJUAV-UHFFFAOYSA-N 310.361 2.070 0 40 DEAB O=C(c1cccc(F)c1)N1CCC[C@H](c2ccnc(O)n2)C1 257311613 UKHVCSDOEJNAFW-LBPRGKRZSA-N 301.321 2.341 0 40 DEAB NC(=O)c1cnc([C@H]2CCCCN2C(=O)c2ccccn2)s1 257219755 DHZXYHQSETYYQJ-LLVKDONJSA-N 316.386 2.004 0 40 DEAB COc1cc(C)cc(C(=O)O)c1NS(=O)(=O)c1ccco1 252508394 XMQKPYNFSRVSLT-UHFFFAOYSA-N 311.315 2.096 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)/C=C/c2cccnc2)n1 257261984 LJNSQCIBQNQEMY-LQYUOIDQSA-N 309.373 2.290 0 40 DEAB Cn1ncc2c(=O)n(Cc3ccc(OC(F)(F)F)cc3)cnc21 26636017 FMEFZXZLYHMCCH-UHFFFAOYSA-N 324.262 2.077 0 40 DEAB CC[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cc(N(C)C)ncn1 298569005 HDRKEDKPAFUWKC-OLZOCXBDSA-N 306.410 2.467 0 40 DEAB O=S(=O)(Nc1cnn(C2CCOCC2)c1)c1ccccc1 96104631 NPKSSMCCGOKEDA-UHFFFAOYSA-N 307.375 2.035 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@@H](OCc3ccccn3)CS2)C1 575403137 IYFLUMGZPICSEP-OAHLLOKOSA-N 318.442 2.485 0 40 DEAB O=C(c1nccc2ccccc12)N1CC[C@@]2(CCCO2)C(=O)C1 585288646 GNBARLSYXSTANS-SFHVURJKSA-N 310.353 2.199 0 40 DEAB C[C@@H](O)c1ccc(C2(CNS(C)(=O)=O)CCCC2)s1 225683480 LMRYSAQOSACTFM-SNVBAGLBSA-N 303.449 2.162 0 40 DEAB CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)Nc1ccon1 14034041 OMPMNWXZMCCXJA-VIFPVBQESA-N 320.374 2.030 0 40 DEAB CC(C)CC(=O)N[C@H](N1CCOCC1)C(Cl)(Cl)Cl 19227974 QFPITPVUAMSIND-SNVBAGLBSA-N 317.644 2.177 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)c2ccc3c(c2)NC(=O)C3)cc1 3845258 ZVWMXVWQKMUWNK-UHFFFAOYSA-N 316.382 2.315 0 40 DEAB biogenic COC(=O)c1ccc(OCC(=O)c2ccc3c(c2)OCO3)cc1 6405070 QAUHNENLUIGWBF-UHFFFAOYSA-N 314.293 2.464 0 40 DEAB Cc1cnc(OC[C@]23CCC[C@@H]2CN(c2ncccn2)C3)nc1 1888860288 NRGUDUAUEXDCNN-RHSMWYFYSA-N 311.389 2.261 0 40 DEAB Cc1cc(C)c2nc(NC(=O)CN3C(=O)CCC3=O)sc2c1 4078708 LKLZJDGVHHSDEP-UHFFFAOYSA-N 317.370 2.001 0 40 DEAB CC[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1nccs1 13572629 NWFVKUFTUFXDRO-SSDOTTSWSA-N 320.403 2.319 0 40 DEAB O=C(NCCCN1CCCC1=O)NCC1(c2ccccc2)CC1 40487634 AQKYDALVRHBVGT-UHFFFAOYSA-N 315.417 2.030 0 40 DEAB Cc1ccc(-c2cc(C(=O)NCCN3CCCC3)n[nH]2)s1 40069085 VXKJNGQZDBOCMR-UHFFFAOYSA-N 304.419 2.272 0 40 DEAB Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2cccs2)c(=O)[nH]1 31257641 RRIAHSUEAQSIMI-ZDUSSCGKSA-N 317.414 2.354 0 40 DEAB CC(=O)N[C@@H](C(=O)N(C)CCCOc1ccccc1)C(C)C 31365663 FZKMDGCEWJMKJV-MRXNPFEDSA-N 306.406 2.075 0 40 DEAB Cc1ccc2c(c1)N(CC(=O)Nc1nc(C)cs1)CC(=O)O2 31846994 UALKGZRZLALZQU-UHFFFAOYSA-N 317.370 2.124 0 40 DEAB C[C@H](NC(=O)Cc1csc(-c2ccccc2F)n1)C(=O)O 20727438 RMTDVNNOFHIRAR-QMMMGPOBSA-N 308.334 2.081 0 40 DEAB C[C@@H]1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CC(=O)N3)C1 41233507 IZZIOKMQPPQDJA-GFCCVEGCSA-N 314.385 2.403 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@@H]2C3)cc1 81977 QKVLBDTVSNTDJH-YWPYICTPSA-N 320.414 2.136 0 40 DEAB COC(=O)[C@@H]1c2ccccc2-c2ccc(N3C(=O)C=CC3=O)cc21 1614568 YLMAKXDPIPSVTO-GOSISDBHSA-N 319.316 2.401 0 40 DEAB CCOC(=O)Cc1nnc(NC(=O)c2ccccc2C)s1 1279146 SMNNTOXZPPOPMV-UHFFFAOYSA-N 305.359 2.204 0 40 DEAB CNC(=O)NC(=O)[C@H](C)Sc1nc(-c2ccccc2)c[nH]1 24766095 PGWHWXARSBNHOK-VIFPVBQESA-N 304.375 2.013 0 40 DEAB CSc1nnc(C)n1NC(=O)c1cccc(OC(C)C)c1 6505028 LAJZIYHBMNIHSN-UHFFFAOYSA-N 306.391 2.480 0 40 DEAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1c(C)nn(C)c1Cl 106909344 VEJAKVSKFSXGRP-HUUCEWRRSA-N 324.856 2.357 0 40 DEAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCO1)O[C@@H](C)C2 25395256 LKWGOMWLRIWXAE-FZMZJTMJSA-N 305.374 2.204 0 40 DEAB C[C@@H]1CN([C@H](C(=O)N2CCCC2)c2ccccc2)C[C@@H](C)O1 84706068 NCGUQYSEIHDNEE-INMHGKMJSA-N 302.418 2.459 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H]1CCc1ccccc1)C(=O)N(C)C 56875760 OEIBSRQTVRNZPT-GDBMZVCRSA-N 317.433 2.270 0 40 DEAB O=C(O)[C@@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12 57791437 MBNNUXAKQYVCRH-LLVKDONJSA-N 315.354 2.216 0 40 DEAB COCCNC(=O)c1cccnc1SCc1c(C)noc1C 27337353 GFFCQHGXSBITMB-UHFFFAOYSA-N 321.402 2.355 0 40 DEAB CCc1nnsc1C(=O)N(C)CCOc1ccc(F)cc1 44874080 KSFIHLRGNUOTMY-UHFFFAOYSA-N 309.366 2.391 0 40 DEAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)NC[C@@H]1CCCO1 44891036 WQLKVAZYPIMYOW-INIZCTEOSA-N 314.389 2.193 0 40 DEAB CN(Cc1cccc2ccccc12)C(=O)NCCS(C)(=O)=O 58241754 GJNMXLWZSQIYEW-UHFFFAOYSA-N 320.414 2.026 0 40 DEAB O=c1[nH]ncc(NCc2ccnc(N3CCCCC3)c2)c1Cl 44976584 SSUZGVZWIJXGAN-UHFFFAOYSA-N 319.796 2.421 0 40 DEAB Cc1cccc(C(=O)N2CCC[C@]3(CCN(C)C3=O)CC2)c1 108534976 FMOKTMTXEPNMJW-SFHVURJKSA-N 300.402 2.470 0 40 DEAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccnc1O 10775657 GNBNQKQOMAFXLU-UHFFFAOYSA-N 311.341 2.066 0 40 DEAB O=S(=O)(NC1CCCCC1)c1ccc(-n2cccn2)cc1 36365032 GIYCJUKJQBZQKM-UHFFFAOYSA-N 305.403 2.483 0 40 DEAB COc1ccc([C@@H](C)NC(=O)[C@H](C)n2cccn2)c(OC)c1 45426173 JEQDAEDVNSUJKY-NEPJUHHUSA-N 303.362 2.339 0 40 DEAB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCO[C@H](C)C1 36654283 YVLCMEDAHBMREU-MNOVXSKESA-N 312.797 2.396 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCOCC1)c1ccccc1F 21523459 GIFFMCRIBZWOSZ-OAHLLOKOSA-N 318.348 2.222 0 40 DEAB CC(=O)Nc1ccc(CC(=O)NCC(C)(C)CCCO)cc1 95459349 QKPNTUZJOSGAPA-UHFFFAOYSA-N 306.406 2.102 0 40 DEAB O=C(NC[C@@H]1CCN(CC(F)(F)F)C1)Nc1ccccn1 46954074 ZNXWYXBGROKKFW-JTQLQIEISA-N 302.300 2.087 0 40 DEAB COc1ccccc1[C@@H]1CC(=O)c2cn3nc(C)nc3nc2C1 20796410 KWXMOXVXLNUXFA-NSHDSACASA-N 308.341 2.354 0 40 DEAB COCC(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1cccc(OC)c1 100112406 ZGDFUIXCMNHQDU-IOASZLSFSA-N 305.374 2.100 0 40 DEAB O=C(O)c1cc(S(=O)(=O)NC2CCCC2)ccc1Cl 3306823 PBRPLPOYVYZPEO-UHFFFAOYSA-N 303.767 2.259 0 40 DEAB COC(=O)NCC(=O)OCc1ccc(Cl)c2cccnc12 62408332 BGYNZRPWPHOHFI-UHFFFAOYSA-N 308.721 2.287 0 40 DEAB COCCCNC(=O)c1ccccc1NC(=O)c1cccnc1 10472614 COHRKEGZIAZXRE-UHFFFAOYSA-N 313.357 2.100 0 40 DEAB CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 22115418 NFZOCULMNBBFFL-UHFFFAOYSA-N 323.437 2.136 0 40 DEAB NC(=O)c1nc(Cl)ccc1NCc1nc(-c2ccco2)no1 95430542 HTZSGRHFHADHDW-UHFFFAOYSA-N 319.708 2.089 0 40 DEAB Cc1nc(COC(=O)c2c[nH]nc2-c2c(F)cccc2F)no1 97135148 UOYUKLGCKNCDRM-UHFFFAOYSA-N 320.255 2.403 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N1CC[C@H]([C@@H](C)O)C1 97107853 LNRHGAWESRCZCF-MNOVXSKESA-N 312.797 2.261 0 40 DEAB Cc1oc(C)c(S(=O)(=O)NCc2ccsc2)c1C(=O)O 63153089 FJMALRWPAREHOT-UHFFFAOYSA-N 315.372 2.135 0 40 DEAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(O)nc2)cc1 13258075 ZFAVKWUVHBLMKO-CYBMUJFWSA-N 300.314 2.041 0 40 DEAB O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1 49171479 BGRWUUBCAASZMI-AWEZNQCLSA-N 304.365 2.204 0 40 DEAB O=C(NCc1cccc(Cl)c1)c1cc2c([nH]c1=O)CCC2 49546035 PMAMKPHIDSDXHS-UHFFFAOYSA-N 302.761 2.447 0 40 DEAB Nc1nccnc1C(=O)OCc1cc(-c2cccs2)on1 14060251 MSIIWAINYSCSSB-UHFFFAOYSA-N 302.315 2.132 0 40 DEAB CNC(=O)NC(=O)CNc1ccccc1SC(F)(F)F 65548299 FRPZCVLUTDDCSJ-UHFFFAOYSA-N 307.297 2.166 0 40 DEAB O=C(NCC1(c2ccccc2)CCCC1)C(=O)N1CCCC1 4525330 POABAAIWFFJMEQ-UHFFFAOYSA-N 300.402 2.237 0 40 DEAB CN1C(=O)c2ccccc2O[C@@]12C=Cc1ccc(O)c(C=O)c1O2 9426245 NITNTIZUUZVRMY-GOSISDBHSA-N 323.304 2.429 0 40 DEAB CC[C@H](Oc1ccccc1F)C(=O)NCCCn1ccnc1 4945480 KHRNODKWMRNBCI-AWEZNQCLSA-N 305.353 2.386 0 40 DEAB CCn1cc(NC(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)cn1 71899745 TZYNXKTUFZHVJK-CQSZACIVSA-N 320.299 2.313 0 40 DEAB CC(C)CNC(=O)[C@@H](C)Sc1nc(-c2ccccn2)n[nH]1 71910017 DNKJELBLUDEAPD-SNVBAGLBSA-N 305.407 2.120 0 40 DEAB O=C([C@@H](c1ccccc1)N1CC(n2cccn2)C1)N1CCCCC1 69490305 UWWFZLQBJNDSPB-GOSISDBHSA-N 324.428 2.494 0 40 DEAB C[C@H](Sc1nc2ncccn2n1)C(=O)Nc1ccccc1F 9690805 MPRXTUGFOYGEOP-VIFPVBQESA-N 317.349 2.383 0 40 DEAB CN(CC(=O)N[C@H]1C[C@@H]1c1ccccc1Cl)c1cnccn1 69534136 HEUBCJMMQWCCIH-OCCSQVGLSA-N 316.792 2.239 0 40 DEAB Cc1ccccc1[C@@H]1CCN(C(=O)c2nc3nccc(C)n3n2)C1 69532690 RUVNMMNYPWCRKK-CQSZACIVSA-N 321.384 2.371 0 40 DEAB O=C1NC[C@@H]2CN(Cc3cnc(-c4cccs4)s3)CCN12 91865000 NIYLEHNAGKLJHF-SNVBAGLBSA-N 320.443 2.081 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)NCC(=O)NC(C)(C)C)s1 95399463 HXBNDHNLIYNOQB-SNVBAGLBSA-N 311.451 2.201 0 40 DEAB CCc1cccc(CC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)c1 97020826 RRSFWJKZIUHRHS-CVEARBPZSA-N 302.418 2.342 0 40 DEAB COCc1cc(N(C)Cc2cnccn2)nc(C(C)(C)C)n1 95973003 FHDBOVGRHAPADN-UHFFFAOYSA-N 301.394 2.347 0 40 DEAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H]1CCCOc2c(F)cccc21 95995087 MQUUZIWRAUCUST-YWPYICTPSA-N 320.364 2.276 0 40 DEAB O=C(NC1=NCCS1)c1cc2c(nc3sccn32)s1 9909116 UJCUQXDDHLLAEW-UHFFFAOYSA-N 308.413 2.443 0 40 DEAB O=C(c1ccc(O)cc1)N1CCN(CCc2cccs2)CC1 89799997 BXOMIJMVCKMOBC-UHFFFAOYSA-N 316.426 2.454 0 40 DEAB CC(C)(C)c1ccc(OC[C@H](O)CN2CCCNCC2)cc1 64875910 AVCGXVICUKRUMA-MRXNPFEDSA-N 306.450 2.019 0 40 DEAB CCOC(=O)C[C@@](C)(NCc1nonc1C)c1ccccc1 521394169 HIEXCONDYXIZDS-MRXNPFEDSA-N 303.362 2.336 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@@H]2COc1ncccc1F 306128406 GZNFAULVLRIXAB-GFCCVEGCSA-N 308.353 2.017 0 40 DEAB Cc1cccnc1NC(=O)c1cnc2sc(C)c(C)n2c1=O 61721052 AJKKQFWXDFQLDN-UHFFFAOYSA-N 314.370 2.329 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCC(F)(F)F 60154648 KBMROTUBKVVZTI-VIFPVBQESA-N 310.316 2.455 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](NC(C)=O)C(C)C 39983219 HSMNYKCFNWIEIY-LRDDRELGSA-N 306.406 2.342 0 40 DEAB O=C(O)c1cnc(COc2cccc(C(F)(F)F)c2)[nH]c1=O 217381766 AFIFEDKNIWUKPM-UHFFFAOYSA-N 314.219 2.066 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 72384926 IFHDKIUIHDZYED-LLVKDONJSA-N 309.366 2.035 0 40 DEAB Cc1cc(C(=O)N[C@@](C)(C(N)=O)c2ccccc2)ccc1F 78418936 DEQIHGMZJVGRHC-QGZVFWFLSA-N 300.333 2.265 0 40 DEAB CN(Cc1ncnn1C)C(=O)c1c(O)cc(Cl)cc1Cl 80034305 LCRSTRNDRILPBK-UHFFFAOYSA-N 315.160 2.100 0 40 DEAB CSCC[C@@](C)(O)CNC(=O)c1ccc(Br)o1 75157493 MVAOEDLLOCDTEA-LLVKDONJSA-N 322.224 2.276 0 40 DEAB O=C1NCC[C@]12CN(CC1CCOCC1)C[C@H]2c1ccccc1 96201830 XUQRURFFSNMRPC-PKOBYXMFSA-N 314.429 2.019 0 40 DEAB c1ccc(-c2nnn3c2CO[C@H](CNCc2ccccn2)C3)cc1 96061089 CRJFTSUMCNMPLH-MRXNPFEDSA-N 321.384 2.029 0 40 DEAB O=C(NC1CC1)[C@@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@H]2O1 96042998 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O=C(c1ccncc1)N1[C@H]2CC[C@H]1CC(O)(c1ccccn1)C2 100162109 MWLNDKARXPGWLC-GJZGRUSLSA-N 309.369 2.131 0 40 DEAB CCc1ccc(CNC(=O)CCNC(=O)c2ccco2)s1 36391624 SMCHNDPVSHZHEY-UHFFFAOYSA-N 306.387 2.340 0 40 DEAB CC(C)n1cnc(S(=O)(=O)N[C@@H](C)Cc2ccsc2)c1 95973675 WUJMYBYCRBDNRK-NSHDSACASA-N 313.448 2.435 0 40 DEAB Cc1ccnc2nc(C(=O)OCc3cccc4cccnc34)nn12 11310377 KQQIVUIBVKXYNF-UHFFFAOYSA-N 319.324 2.338 0 40 DEAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)N1CCOCC1 57632465 RDNGRKBMCVIGHQ-GFCCVEGCSA-N 304.173 2.321 0 40 DEAB Cc1cc([C@H](C)NC(=O)N[C@H]2CCCCNC2=O)c(C)s1 45668112 XDIOFEXGYUYUED-GWCFXTLKSA-N 309.435 2.394 0 40 DEAB Cc1nc2ccccc2nc1S[C@H](C(=O)NC(N)=O)C(C)C 29282320 OIUXGJKQTISLLV-LBPRGKRZSA-N 318.402 2.250 0 40 DEAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCCO1 29958947 GGGHVBMEXYACRP-DOMZBBRYSA-N 302.374 2.111 0 40 DEAB O=C(CCN1C(=O)c2ccccc2C1=O)NCc1cccs1 2645342 IDPCEGNZDSTZGN-UHFFFAOYSA-N 314.366 2.051 0 40 DEAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(C)C)c1C 2629927 PUKWXOQDWPFDNC-UHFFFAOYSA-N 300.358 2.351 0 40 DEAB CCOCCCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 48191191 ZXZBOPMYYLWMTP-AWEZNQCLSA-N 320.437 2.485 0 40 DEAB O=C(C[C@H]1C=CCC1)Nc1cccc(C(=O)N2CCOCC2)c1 48324171 ONVDRBGJXDJRDA-AWEZNQCLSA-N 314.385 2.454 0 40 DEAB C[C@H]1CN(C(=O)c2ccc(NC(=O)C3CC3)s2)C[C@@H](C)O1 12810683 DWHKUUOBFVGYER-AOOOYVTPSA-N 308.403 2.346 0 40 DEAB CCCc1ccc([C@H](NC(=O)Cn2cnnn2)C(C)C)cc1 12996384 GGGKRCAUSXBEML-MRXNPFEDSA-N 301.394 2.139 0 40 DEAB Cc1cc(C)n2nc(C)c(C(=O)N(C)Cc3cscn3)c2n1 63077993 KFGUYSCNPPXHJN-UHFFFAOYSA-N 315.402 2.383 0 40 DEAB COc1cc(C(=O)O)ccc1OCC(=O)NCc1ccccc1 13419563 CVEQSIRZOUANNF-UHFFFAOYSA-N 315.325 2.089 0 40 DEAB Cc1ccc(NC(=O)CCCN2C(=O)NC(C)(C)C2=O)cc1F 9316839 HTQHZPDDJFHGFA-UHFFFAOYSA-N 321.352 2.183 0 40 DEAB CC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc[nH]1)c1ccccc1 9384524 NCWWCKOEDRXTBZ-HNNXBMFYSA-N 314.341 2.008 0 40 DEAB Cc1c(C(=O)N[C@H](C)c2ccco2)sc2ncn(C)c(=O)c12 39522410 HSRHZCLJCVXELT-SECBINFHSA-N 317.370 2.387 0 40 DEAB C[C@H](C(=O)N(C)Cc1ccccc1)n1nnc2ccccc2c1=O 49889832 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CC(C)(C)C(=O)CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 7131191 KWUWLEJLSUEHMA-MRXNPFEDSA-N 324.327 2.347 0 40 DEAB CN(C[C@@H]1CCCCO1)c1cc(C(F)(F)F)nc2ncnn12 71821696 SUQIHKPAUDOVQN-VIFPVBQESA-N 315.299 2.148 0 40 DEAB Cc1cnc(C(=O)N[C@H](CN2CCCC2)c2ccccc2)cn1 71851405 CSZUXDDJHORYNR-QGZVFWFLSA-N 310.401 2.352 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCOC2)c(OC)c1 71832973 IBATXXXCULEJJQ-SWLSCSKDSA-N 305.374 2.404 0 40 DEAB Cc1nc(N2CCC[C@@H](C(=O)NCC3CC3)C2)c2cc[nH]c2n1 80772809 ZXFNCILDBFJCGL-CYBMUJFWSA-N 313.405 2.009 0 40 DEAB COc1ccccc1CC(=O)N[C@@H]1CCN(c2ccccc2)C1=O 68202373 GWFZZFALTRPDIW-MRXNPFEDSA-N 324.380 2.159 0 40 DEAB O=S(=O)(NCc1cccnc1)c1ccc(Cl)cc1F 16091731 ZIZOQROBEXFUIS-UHFFFAOYSA-N 300.742 2.353 0 40 DEAB Cn1cc(S(=O)(=O)NCC2(Sc3ccccc3)CC2)cn1 68945459 FOWNEGCENOOJIB-UHFFFAOYSA-N 323.443 2.023 0 40 DEAB Cc1nnc2n1C[C@H](NC(=O)C(C)(C)c1cccc(F)c1)CC2 95960428 DVYZXNWMVNULMU-CQSZACIVSA-N 316.380 2.134 0 40 DEAB CCn1ccnc1CN1CCCC[C@@H]1Cn1nc(C)nc1C 69617495 CFHIHFVFGAYBLX-OAHLLOKOSA-N 302.426 2.166 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCC(Nc2cccnn2)CC1 69662704 NVRAAVOQAQUPME-UHFFFAOYSA-N 319.796 2.185 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1F 69742443 UFWYNZBGWAMSGS-CVEARBPZSA-N 320.408 2.462 0 40 DEAB COC(=O)C[C@H](NC(=O)NC1CC1)c1ccc(SC)cc1 69737929 BROHJTPYGMPUBQ-ZDUSSCGKSA-N 308.403 2.474 0 40 DEAB COc1cc(-c2noc(CN3CCO[C@H](C)C3)n2)ccc1C 84188048 LUEUOWXOTASIOJ-GFCCVEGCSA-N 303.362 2.274 0 40 DEAB Cc1cc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)no1 8775798 AJAQOEUCSUJNDW-UHFFFAOYSA-N 307.737 2.395 0 40 DEAB CCCc1noc(CCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)n1 72283071 MTQRTPMETJERNQ-GFCCVEGCSA-N 317.393 2.084 0 40 DEAB CCOc1cc(NC(=O)N[C@H](C)Cn2cncn2)ccc1C 72281306 GKWKMZSVBJCSDV-GFCCVEGCSA-N 303.366 2.195 0 40 DEAB Cc1noc(C)c1C[C@H](C)NC(=O)Nc1nnc2ccccn12 72292051 ONVNOOOFOYXZNX-VIFPVBQESA-N 314.349 2.087 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)N1CC[C@@H](CCO)C1 89548135 MCYZRXPJELPILU-LBPRGKRZSA-N 304.346 2.016 0 40 DEAB Cc1nc(C2CCN(S(=O)(=O)CC3CCCC3)CC2)no1 89718244 HFEUVMUTFQXNIK-UHFFFAOYSA-N 313.423 2.077 0 40 DEAB CCCNC(=O)[C@@H](C)N1CCN([C@@H](C)c2cccc(F)c2)CC1 89959129 KSQANIWVNWBYSC-LSDHHAIUSA-N 321.440 2.419 0 40 DEAB NC(=O)[C@@H]1CCCCN1C(=O)CSCCCc1ccccc1 75904214 RFOZZMATEWOOHA-HNNXBMFYSA-N 320.458 2.219 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 75156914 REEPYZLYCHVKSX-RYUDHWBXSA-N 303.811 2.230 0 40 DEAB CC[C@H](C(=O)OCC(=O)NC[C@@H]1CCCO1)c1ccccc1 28288524 PJSPMCPHCJCYRP-GJZGRUSLSA-N 305.374 2.019 0 40 DEAB O=C(CN1CCC(CO)CC1)Nc1cccc(C(F)(F)F)c1 51853918 XXJKIYLFZXVXNT-UHFFFAOYSA-N 316.323 2.348 0 40 DEAB CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cscn2)n1 72388478 AMSPORKTUBJMTI-OAHLLOKOSA-N 317.418 2.435 0 40 DEAB Cc1cc(-c2c(O)nn(-c3ccccc3)c2C)n2ncnc2n1 72333073 CEVNEGYBNIDEGA-UHFFFAOYSA-N 306.329 2.299 0 40 DEAB NCCN(C1CC1)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 79391865 BEOFPMBIXLIWGN-QGZVFWFLSA-N 317.433 2.211 0 40 DEAB Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc3c(c2)OCCO3)cc1 72227672 WUFXNXVFGOJCOL-IAGOWNOFSA-N 310.353 2.181 0 40 DEAB CC(C)(C)NS(=O)(=O)c1ccc(NC2CC2)c(C(=O)O)c1 217563980 BMJLKOLQFHOVML-UHFFFAOYSA-N 312.391 2.036 0 40 DEAB CN1CC[C@H](CNc2ccccc2S(=O)(=O)C(F)(F)F)C1 37647638 LUJBVBMAGJPETR-SNVBAGLBSA-N 322.352 2.344 0 40 DEAB COc1ccc(N2C(=O)[C@H]3N=NN(c4ccccc4)[C@H]3C2=O)cc1 33274043 ORUUHMIUZYIJNC-LSDHHAIUSA-N 322.324 2.193 0 40 DEAB CCn1cc(C(=O)NCCOC)c(=O)c2cc(Cl)ccc21 181823936 KNYGFYLSKLMYPQ-UHFFFAOYSA-N 308.765 2.051 0 40 DEAB Cn1ccnc1CN1CCOC[C@H]1c1nc(C(C)(C)C)co1 72322175 XIEAQJHXPUHPKZ-LBPRGKRZSA-N 304.394 2.279 0 40 DEAB biogenic,in-vitro C[C@H]1CC=CC[C@@H]1COC(=O)c1cn(Cc2ccccn2)nn1 76906115 ZPAUQRJHOOORKF-UONOGXRCSA-N 312.373 2.481 0 40 DEAB Cc1nccc(N2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)n1 72355607 OUPUQJDXFKDHAK-CQSZACIVSA-N 321.388 2.145 0 40 DEAB Cc1cc(NC(=O)CCn2ccnc2C(=O)c2ccccc2)no1 195562210 GUDUJKFFEFSEBK-UHFFFAOYSA-N 324.340 2.439 0 40 DEAB CCN1CCN(C(=O)[C@H](C)Oc2cccc3c2CCCC3)CC1 224226576 WJHPPGWAAGSZDY-HNNXBMFYSA-N 316.445 2.497 0 40 DEAB COc1ccc(NC(=S)NCCCN2CCCCC2)cn1 225411670 MEOPOYRQVMTMCX-UHFFFAOYSA-N 308.451 2.253 0 40 DEAB CCc1noc([C@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 41123306 UMFAIDRFCRMIDK-CYBMUJFWSA-N 317.393 2.199 0 40 DEAB COc1cccc2c1CCC[C@H]2NC[C@H](C)N1CCN(C)CC1 194884645 CMRBIFUJNTUGED-MAUKXSAKSA-N 317.477 2.298 0 40 DEAB CN(C(=O)c1cccc(N2CCCC2=O)c1)[C@@H]1CCCC[C@H]1O 223493124 UEDIVSYPLMUJFM-HZPDHXFCSA-N 316.401 2.189 0 40 DEAB CCC[C@@H](N)C(=O)N1CCC[C@@H](Oc2ccc(Cl)cn2)C1 195554635 BXOVQEQOKPUOIQ-CHWSQXEVSA-N 311.813 2.232 0 40 DEAB Cc1cc(S(=O)(=O)NCC[C@@H](O)c2ccccc2)c(C)o1 96493948 XGDXQTMALOXDTH-CQSZACIVSA-N 309.387 2.298 0 40 DEAB COCCN1CCCC[C@]12CC(=O)N(c1ccccc1OC)C2 96217294 WGJDCVRMFSAGCJ-GOSISDBHSA-N 318.417 2.303 0 40 DEAB c1ccc(-c2nnn3c2CO[C@@H](CNCc2ccccn2)C3)cc1 96061088 CRJFTSUMCNMPLH-INIZCTEOSA-N 321.384 2.029 0 40 DEAB O=c1c(C(F)(F)F)cccn1Cc1ncn(-c2ccccc2)n1 95457504 SYSKJGMFAKIQTE-UHFFFAOYSA-N 320.274 2.496 0 40 DEAB Cc1cccc(C(=O)N2C[C@H]3C(=O)N(c4ccccc4)C[C@H]3C2)n1 96053618 ZYGIKHFEYKMAEW-GDBMZVCRSA-N 321.380 2.125 0 40 DEAB CC[C@@H]1N(C(=O)c2ccccn2)CCC[C@]12CCC(=O)N2C 96052431 GCTUJNUXWMBEBC-YOEHRIQHSA-N 301.390 2.087 0 40 DEAB COc1cccc(CCC(=O)N2CCO[C@H]3CC[C@H]2[C@H]3OC)c1 247944897 YQMUBVYKISJHQW-XYJFISCASA-N 319.401 2.033 0 40 DEAB CC(C)N1CC[C@]2(c3ccccc3)CCN(S(C)(=O)=O)[C@H]2C1 248148666 FVRRYZJZLFNMDK-DLBZAZTESA-N 322.474 2.072 0 40 DEAB Cc1ccnc([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2)n1 257295609 QZDDZHMCUUMPDW-CYBMUJFWSA-N 315.348 2.319 0 40 DEAB NC(=O)CN1CCC2(CC1)CO[C@@H](Cc1ccccc1Cl)C2 257321502 WBXZBQLZGBTTCH-AWEZNQCLSA-N 322.836 2.239 0 40 DEAB CO[C@@H]1CCCC[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@H]1O 257312938 UQHRTHPMEPLDFZ-BRWVUGGUSA-N 303.402 2.224 0 40 DEAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCc2cnn(C)c2C)C1 257283459 OYLGJGREKGDQMP-HNNXBMFYSA-N 315.421 2.099 0 40 DEAB Cc1cccc(CN2CCO[C@@H](c3cccc(N(C)C)n3)C2)n1 257328500 XFWMSGCMUVQEKF-QGZVFWFLSA-N 312.417 2.425 0 40 DEAB Cc1ccc(CN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)cc1 268369761 UATVSOONJMUMED-DLBZAZTESA-N 323.458 2.163 0 40 DEAB CN(C(=O)c1cccc(OC(F)(F)F)c1)[C@H](CN)C1CC1 261790714 XTHRRIPPHGQXBI-GFCCVEGCSA-N 302.296 2.395 0 40 DEAB O=C(N1CC2(C[C@@H](OCc3ccccn3)CS2)C1)C1(F)CC1 575405303 YJODTAWXTOVJBV-CYBMUJFWSA-N 322.405 2.187 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CC2(C[C@@H](Oc3ncccc3F)CS2)C1 575405237 XOSBXQHZMRDLNF-IJLUTSLNSA-N 322.405 2.342 0 40 DEAB C[C@H]1c2nnc(COc3ncccc3F)n2CCN1C1CCC1 585097607 NKMWWTJZZMUETN-NSHDSACASA-N 317.368 2.320 0 40 DEAB COc1ccc(CC(=O)N2CCO[C@H](c3ccncc3)C2)cc1 1084449347 LNVXYXDQIGQONA-KRWDZBQOSA-N 312.369 2.233 0 40 DEAB CC(C)COC(=O)N1CCCN(C(=O)Nc2cccnc2)CC1 60344428 ZTYCVADLIZDZMQ-UHFFFAOYSA-N 320.393 2.414 0 40 DEAB CN(Cc1nc(-c2cccnc2)no1)[C@@H]1Cc2ccccc2[C@@H]1O 95987382 ZXENLRPBABTEOU-WBVHZDCISA-N 322.368 2.222 0 40 DEAB CCc1ccc(C(=O)c2c(N)c(C(N)=O)c3ccccn23)cc1 12341981 YERRENWDQNDFCD-UHFFFAOYSA-N 307.353 2.414 0 40 DEAB CCN(CC)C(=O)[C@H]1C(=O)N(C)[C@@]2(C)C[C@@H]1c1ccccc1O2 13424778 RRVBXHVFYDCHHE-DDUZABMNSA-N 316.401 2.226 0 40 DEAB CN(C)C[C@H](CC1=C(C[C@@H](CN(C)C)N(C)C)CCC1)N(C)C 19365235 LAAYVNAGMUFKIX-OALUTQOASA-N 324.557 2.231 0 40 DEAB COc1ccccc1[C@H]1CCCN1CC(=O)Nc1nonc1C 19654450 BZXJWSLFSLMSNK-CYBMUJFWSA-N 316.361 2.162 0 40 DEAB COC(=O)c1cc(S(=O)(=O)NC2CCCC2)ccc1Cl 156783379 AJRLIBADDLVBLL-UHFFFAOYSA-N 317.794 2.348 0 40 DEAB COc1ccc([C@H]2Cn3ccnc3CN2Cc2cnn(C)c2)cc1 643914290 NYFSWGAIPFAXSV-QGZVFWFLSA-N 323.400 2.382 0 40 DEAB Cn1ncc(Cl)c1CN1CC[C@@H](c2nc(C3CC3)no2)C1 551927857 DQCNWLIVBBPFSO-SNVBAGLBSA-N 307.785 2.323 0 40 DEAB O=C(NC1CCOCC1)N1CCC(Oc2ccsc2)CC1 575618921 JTWBCODSFHXXNJ-UHFFFAOYSA-N 310.419 2.480 0 40 DEAB CC(C)(C)NC(=O)[C@H]1CCN(c2ncnc3sccc23)C1 1889085246 OBIZHKRPFKTXLT-JTQLQIEISA-N 304.419 2.432 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)O)n1 50363955 CFZZFUJWSLZTQD-JTQLQIEISA-N 311.769 2.333 0 40 DEAB COC(=O)/C(=C\Nc1ncccc1C)NC(=O)c1ccccc1 100274208 LFTIOJXQADAUJN-SDNWHVSQSA-N 311.341 2.246 0 40 DEAB CCc1cnc(N2CCC(Oc3nc(C)cnc3C)CC2)nc1 2086954104 ANZRHRFBYQPVLN-UHFFFAOYSA-N 313.405 2.494 0 40 DEAB Cc1ccc(NC(=O)NCCn2ncccc2=O)cc1Cl 23237062 IRYKWUMQTJXLTO-UHFFFAOYSA-N 306.753 2.027 0 40 DEAB CCn1/c(=N/C(=O)c2ccn(C)n2)sc2cc(F)ccc21 101068120 NKXCIOQLONQBLV-PEZBUJJGSA-N 304.350 2.336 0 40 DEAB COc1ccc(OC)c(Nc2nnc(C(C)(C)C)c(=O)[nH]2)c1 5154469 ZMKNIYSMKQDYHP-UHFFFAOYSA-N 304.350 2.223 0 40 DEAB COc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2c(C)cccc21 71924234 GSPOCILHMWSCOX-SFHVURJKSA-N 311.337 2.416 0 40 DEAB CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)NC1=S 100321787 YHXVRTCGNFIOFX-LUAWRHEFSA-N 306.387 2.259 0 40 DEAB COC(=O)C1=C(C)NC(=S)N(C(C)=O)[C@@H]1c1ccccc1F 100548659 SPUJGWBQYLLEEL-CYBMUJFWSA-N 322.361 2.050 0 40 DEAB CC(=O)N1CCN(Cc2noc(-c3ccc(Cl)cc3)n2)CC1 40493777 ZJKXCMQOQFXBLD-UHFFFAOYSA-N 320.780 2.054 0 40 DEAB O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@@H]1CCCO1 32478292 VAFVQNWLHLSHFC-AWEZNQCLSA-N 315.373 2.355 0 40 DEAB C[C@@H](OC(=O)c1cc2ccccc2n1C)C(=O)Nc1ncccn1 52241081 BFKYUUBDMCPEPU-LLVKDONJSA-N 324.340 2.152 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)CCC(=O)c1ccc(Cl)cc1 32736733 PNNUCNXYLXSSEP-LLVKDONJSA-N 324.808 2.334 0 40 DEAB CC(C)N1C[C@H](C(=O)NCCc2cccc(Cl)c2)CC1=O 32816208 CBPPUKCLCDHBEH-CYBMUJFWSA-N 308.809 2.256 0 40 DEAB Cc1noc(COC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1 102816482 IOPLGRSVSBEFEF-CPWXYTRJSA-N 306.362 2.143 0 40 DEAB O=C(CCCn1cncn1)N[C@H]1CCCOc2ccc(F)cc21 53369626 HZQUIIZLTKBJRO-AWEZNQCLSA-N 318.352 2.228 0 40 DEAB COC[C@@H](C)C(=O)NC1CCN(Cc2ccc(F)cc2)CC1 103431306 PTHGDEHSZZSSOE-CYBMUJFWSA-N 308.397 2.189 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)cc1)c1nc2ncccn2n1 923958 YDOVZHBRPJVKAQ-UHFFFAOYSA-N 307.235 2.395 0 40 DEAB COc1ccc(NC(=O)COc2ccccc2C(=O)O)cc1 35322 VORQTLZYXVNHSD-UHFFFAOYSA-N 301.298 2.411 0 40 DEAB COc1ccc2c(c1)OC[C@]1(O)c3cc4c(cc3O[C@H]21)OCO4 1531872 LZMRDTLRSDRUSU-SJORKVTESA-N 314.293 2.138 0 40 DEAB endogenous,in-man CC(C)(C)c1cc(N2CCN(CCO)CC2)nc(C(C)(C)C)n1 79111748 DDBXZCSGISUJGB-UHFFFAOYSA-N 320.481 2.186 0 40 DEAB CO[C@@H](CNC(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 72274195 UWPYKAKDPIDHIT-CVEARBPZSA-N 305.422 2.110 0 40 DEAB COCCn1ccc2cc(NC(=O)N[C@H]3CCC[C@H]3O)ccc21 72292048 BVDZFYBZAZLJJV-GOEBONIOSA-N 317.389 2.323 0 40 DEAB COc1cc(F)ccc1NC(=O)c1n[nH]c(=O)c2ccccc12 25309546 VFNZIAGFXVJFJX-UHFFFAOYSA-N 313.288 2.323 0 40 DEAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccccc1F 6948057 LEHONOCFQAJGJP-UHFFFAOYSA-N 301.317 2.456 0 40 DEAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 8300459 BDNLNXWPQPJIRK-SOUVJXGZSA-N 308.447 2.085 0 40 DEAB biogenic,in-vitro C[C@H](C(=O)Nc1ccccc1)N1CCN(c2nccs2)CC1 57463429 RFAXSDPFLVYOKP-CYBMUJFWSA-N 316.430 2.292 0 40 DEAB COc1ccc(-n2nnnc2C(C)(C)NCc2ccco2)cc1 35622764 FBFVKEARPQVSNU-UHFFFAOYSA-N 313.361 2.289 0 40 DEAB CC(C)(CC(=O)O)CC(=O)Nc1cc(Cl)ccc1C(N)=O 27057848 PELABPAMVKOTGB-UHFFFAOYSA-N 312.753 2.268 0 40 DEAB CC[C@@H](NC(=O)c1ccn(C)c(=O)c1)c1ccccc1OC 27133948 ODWLYGPCGVUUQH-CQSZACIVSA-N 300.358 2.275 0 40 DEAB CCOCCCNC(=O)N1CCN(c2ccccc2F)CC1 10079534 BEGHCEOBCCAQMI-UHFFFAOYSA-N 309.385 2.084 0 40 DEAB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCC1 52410620 IDRZEBNUUGRFPK-UHFFFAOYSA-N 323.418 2.099 0 40 DEAB CCCCOC(=O)/C=C\C(=O)O[C@@H](C)C(=O)OCCCC 104049824 LXPYFQGFCRRLMP-LAUAKBEESA-N 300.351 2.161 0 40 DEAB O=C1COc2cc(C(=O)N[C@@H]3CCOc4ccccc43)ccc2N1 44868705 GJLUNVUMYKAFSP-CYBMUJFWSA-N 324.336 2.271 0 40 DEAB C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc2c(c1)CC(=O)N2 44970888 MBJVNUXGIGDVFR-RWSFTLGLSA-N 317.389 2.109 0 40 DEAB COCCCC(=O)NC1CCN(Cc2ccccc2OC)CC1 58357340 ZJWJKLGLLJISPJ-UHFFFAOYSA-N 320.433 2.202 0 40 DEAB CCSc1ccc(NC(=O)N(CCOC)CCOC)cn1 58437980 GHUOJRDQIJHKGB-UHFFFAOYSA-N 313.423 2.320 0 40 DEAB CC(=O)N(C)CCCNC(=O)c1cccc(Br)c1 2275404 NDRJWLKQIGEQON-UHFFFAOYSA-N 313.195 2.047 0 40 DEAB CCc1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cnn1-c1ccccn1 48072827 RNNBFGKHFBVOLY-STQMWFEESA-N 314.389 2.079 0 40 DEAB C[C@H](c1ccc(S(=O)(=O)N(C)C)cc1)c1nc(C2CC2)no1 95409397 GXPASJUKHRTSMO-SNVBAGLBSA-N 321.402 2.349 0 40 DEAB Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c(Cl)cc1F 95450084 IUZUJKSBJGGWFJ-ZJUUUORDSA-N 301.745 2.009 0 40 DEAB COc1ccccc1OCC(=O)NCCN(C(C)C)C(C)C 36674862 VXFNFMKSLAFCFQ-UHFFFAOYSA-N 308.422 2.309 0 40 DEAB CCc1nnc(NS(=O)(=O)c2cc(C)ccc2OC)s1 11615528 FFBQYLKAIYHIEM-UHFFFAOYSA-N 313.404 2.218 0 40 DEAB O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2ccc(F)cc2)o1 11851764 MTZUOXYWHFYHRI-GFCCVEGCSA-N 323.345 2.003 0 40 DEAB O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2c(=O)[nH]1 29855008 AQYJKVQKXSGPCR-UHFFFAOYSA-N 322.320 2.187 0 40 DEAB CCn1c(=O)n(CC(=O)Nc2ccc(O)cc2)c2ccccc21 60481316 BATCZBWDXSTSDV-UHFFFAOYSA-N 311.341 2.167 0 40 DEAB Cc1cccc(OCCN2C(=O)c3ccccc3S2(=O)=O)c1 2631855 RHXOBUVDMVRRSC-UHFFFAOYSA-N 317.366 2.219 0 40 DEAB Cc1c(Br)cnn1CC(=O)N1CCC[C@H](C)C1 2780220 RPXLSMDFCAYUNF-VIFPVBQESA-N 300.200 2.213 0 40 DEAB C[C@@H](C(=O)OCc1csc(C(C)(C)C)n1)N1C(=O)CCC1=O 61393574 AUUMEDDVBULYKE-VIFPVBQESA-N 324.402 2.021 0 40 DEAB COc1ccc(Cl)cc1CC(=O)NC1(C(=O)O)CCCC1 37419517 PYVLZOHTAHXCIS-UHFFFAOYSA-N 311.765 2.405 0 40 DEAB O=C(O)[C@@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 62118492 FXDRKHWKIPMNQC-SECBINFHSA-N 307.733 2.049 0 40 DEAB CCOc1ncccc1NC(=O)N[C@H]1CCN2CCCC[C@H]12 48200960 TUYFRWNVLPCKFA-GXTWGEPZSA-N 304.394 2.229 0 40 DEAB COCCCn1c(C(=O)OC)cc(=O)c2cc(Cl)ccc21 97148517 XACSUKVPUPVIMF-UHFFFAOYSA-N 309.749 2.478 0 40 DEAB CO[C@@H](C)c1cccc(NC(=O)C(=O)NNc2ccccc2)c1 95461222 NQUYURBUGPBFOE-LBPRGKRZSA-N 313.357 2.476 0 40 DEAB CC(C)N(C(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C(C)C 3464743 AKBWYKICVSJEEJ-SUMWQHHRSA-N 323.437 2.133 0 40 DEAB O=C(c1cc2ccccc2o1)N1CCN(c2ncccn2)CC1 3603559 WWWGUOMIWHHLFP-UHFFFAOYSA-N 308.341 2.185 0 40 DEAB CC(C)c1nc([C@H]2COCCN2C(=O)c2ccccc2)no1 96000942 IMBKGHFODZMGNR-CYBMUJFWSA-N 301.346 2.407 0 40 DEAB Cc1ccc(OC[C@@H](O)CN2CCOCC2)c(C(C)(C)C)c1 26781078 DIGUDIALSBNZQH-HNNXBMFYSA-N 307.434 2.364 0 40 DEAB Cc1cc(Sc2nc3ncccn3n2)nc(-c2ccccn2)n1 65529081 MKRBOJNIEJJHSB-UHFFFAOYSA-N 321.369 2.436 0 40 DEAB O=C(C1CC1)N1CCN(Cc2cc(-c3cccs3)on2)CC1 14110526 ZJOWWMPNXNYXBA-UHFFFAOYSA-N 317.414 2.457 0 40 DEAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(N)=O 6532033 ZDWJIHTVQDUDKL-JTQLQIEISA-N 302.403 2.170 0 40 DEAB COCCCNC(=O)N1CCN(c2ccccc2Cl)CC1 9364036 YMFQAAPMPFHCOP-UHFFFAOYSA-N 311.813 2.208 0 40 DEAB O=C1C[C@@H](NC2Cc3ccccc3C2)C(=O)N1c1ccccc1 9482349 YNZNJSVTOZFUPF-QGZVFWFLSA-N 306.365 2.076 0 40 DEAB O[C@H](CNCc1nc(C2CC2)no1)COc1ccc(Cl)cc1 69153707 VCFCRYGKYYFUJA-GFCCVEGCSA-N 323.780 2.130 0 40 DEAB CC[C@@H](O)CN1CCN(C(=O)c2c(C)[nH]c3ccccc23)CC1 70007064 RXNZOFJYDGEMKS-CQSZACIVSA-N 315.417 2.005 0 40 DEAB O=C(CCOCC(F)(F)F)N1CCC[C@@H](n2ccnc2)C1 70021793 HDGAZNCGEZTGEB-LLVKDONJSA-N 305.300 2.016 0 40 DEAB Cc1cc(C)n(Cc2cccc(C(=O)NCCn3ccnc3)c2)n1 69325550 QQODUOWVAPDOAJ-UHFFFAOYSA-N 323.400 2.175 0 40 DEAB c1ccc(-c2cnc(CN3CCO[C@H](Cn4cccn4)C3)o2)cc1 69375373 VIBJJXHIXOCBKE-INIZCTEOSA-N 324.384 2.439 0 40 DEAB C[C@H](NC(=O)NCc1cccs1)C(=O)N1CCCC[C@@H]1C 69421256 QLXPFPLBTHKLDB-RYUDHWBXSA-N 309.435 2.337 0 40 DEAB CCOC(=O)Cc1c(C)[nH]c2c(-c3ccccc3)cnn2c1=O 18136721 GQDGORVLGUVGRL-UHFFFAOYSA-N 311.341 2.104 0 40 DEAB CCC[C@H](CC(=O)O)NC(=O)c1ccn(-c2ccc(F)cc2)n1 97036688 MBTIMHXPRFAAFQ-GFCCVEGCSA-N 319.336 2.385 0 40 DEAB CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1nnnn1C1CC1 95972736 OBZJXFLYXTWFDB-UHFFFAOYSA-N 309.377 2.030 0 40 DEAB Cc1cccc2nc(CN(C)CCc3nccs3)cc(=O)n12 95973445 FOBMHQHQPJAPAC-UHFFFAOYSA-N 314.414 2.134 0 40 DEAB O=C(NCc1ccc(-c2cccnc2)cc1)NC[C@H](O)C1CC1 74915605 ZDMLZVXIRLOLCH-KRWDZBQOSA-N 311.385 2.319 0 40 DEAB Cc1cc(OC[C@@H](O)COc2cccc3[nH]ccc23)nnc1C 89600919 VCASRIURIVSVOQ-ZDUSSCGKSA-N 313.357 2.393 0 40 DEAB O=C1CN(C(=O)c2ccc3ncccc3c2)[C@H]2CCCC[C@H]2N1 89807839 YBEBAYGKUFTTAF-CVEARBPZSA-N 309.369 2.118 0 40 DEAB COC(CCN[C@@](C)(CNC(=O)OC(C)(C)C)C1CC1)OC 521396496 JOUYDUPZRLCOEB-INIZCTEOSA-N 316.442 2.278 0 40 DEAB CCC[C@H](NCc1ncc[nH]1)C(=O)N1CCc2sccc2C1 67696194 ORPLQZIYEDWNIG-ZDUSSCGKSA-N 318.446 2.314 0 40 DEAB COc1ccc(OC)c(-c2csc(N3C(=O)CCC3=O)n2)c1 35315182 ZWEZOUCHOFTBHX-UHFFFAOYSA-N 318.354 2.481 0 40 DEAB COc1ncc(C)cc1NC(=O)NO[C@@H](CO)C1CCCC1 1562466347 KSFMZAGJTUTNFQ-ZDUSSCGKSA-N 309.366 2.003 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)CCCn2c(=O)oc3ccccc32)CCO1 539896013 SKZMVYOPFIEETB-OLZOCXBDSA-N 318.373 2.058 0 40 DEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc21 72264784 KWFGBFPGUUVJBS-LLVKDONJSA-N 324.402 2.178 0 40 DEAB O=C(CCc1cccs1)NC1CCN(c2ncccn2)CC1 32930103 DZRHJOOOEVRJFL-UHFFFAOYSA-N 316.430 2.256 0 40 DEAB CCCc1noc(-c2ccnc(-n3ncc(C(=O)O)c3C)c2)n1 72221296 DMTUIBKYOMNXAL-UHFFFAOYSA-N 313.317 2.276 0 40 DEAB COc1ccc([C@@H]2[C@H](N)C(=O)N2c2cccc(C)c2)cc1OC 72227406 KELIFKBAEGSSCF-DLBZAZTESA-N 312.369 2.427 0 40 DEAB Cc1csc(N2CCN(Cc3noc(C4CC4)n3)C[C@@H]2C)n1 75129267 GGSVVRHKKDVMJP-NSHDSACASA-N 319.434 2.423 0 40 DEAB CC1CCC2(CC1)OC[C@H](C(=O)O)N2C(=O)Cc1ccccc1 71979828 QBZPRDWYKOTSOQ-NSWWBONSSA-N 317.385 2.448 0 40 DEAB COC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2C)C1 45952717 VSAKLSKXKMRPPK-VIFPVBQESA-N 312.163 2.283 0 40 DEAB CCOC(=O)c1nn(-c2ccc(C(F)(F)F)cn2)nc1C 89262163 GNRFTELLLKNCAL-UHFFFAOYSA-N 300.240 2.166 0 40 DEAB Cc1ccc(O[C@@H]2CCN(C(=O)CCc3ccccc3)C2)nn1 225423546 CSDVQPAADOZRLD-MRXNPFEDSA-N 311.385 2.398 0 40 DEAB Cc1cnc(NCCN2CCCOCC2)c(Br)c1 194329216 IOAWOEHJKQRPGN-UHFFFAOYSA-N 314.227 2.287 0 40 DEAB FC(F)(F)c1ccc(O[C@@H]2CCN(Cc3c[nH]cn3)C2)nc1 225469457 QHOYFDQJSQVIKD-GFCCVEGCSA-N 312.295 2.477 0 40 DEAB C[Sn](C)(C)OC(=O)[C@H](O)c1ccccc1 195998827 LVPYOLPVOJTSIN-GITXNKFESA-M 314.957 2.098 0 40 DEAB C[C@@H]1Cc2ccccc2N1CCNC(=O)c1[nH]nc2c1CCCC2 195724255 HOYGGHQFCJUQCJ-CYBMUJFWSA-N 324.428 2.470 0 40 DEAB CC(C)S(=O)(=O)CC(=O)N1CCC[C@H](C(C)(C)C)CC1 96407298 UQPDRXMWVQFWMZ-ZDUSSCGKSA-N 303.468 2.484 0 40 DEAB CCC1=N[C@@]2(CC[C@@H]3CN(Cc4ccccc4F)C[C@@H]32)C(=O)N1 96261567 JXFOXNNPOTYHLB-UVBSCNOISA-N 315.392 2.345 0 40 DEAB CCn1nnc2c1[C@H](COC)CN(C(=O)CC1=CCCCC1)C2 96045527 QCIRZXXWMDHGQI-AWEZNQCLSA-N 318.421 2.261 0 40 DEAB CSC(C)(C)CNC(=O)NCC[S@@](=O)c1ccccc1 96440376 AZNQUXVCIXNLAT-FQEVSTJZSA-N 314.476 2.235 0 40 DEAB C[C@H]1CCCc2nc(S(=O)(=O)N(C)c3ncccc3F)cn21 333144423 JVPGECLDTFMNBK-JTQLQIEISA-N 324.381 2.140 0 40 DEAB CCOC[C@H]1CN(C(=O)c2cscn2)Cc2cn(CC)nc21 96198092 UKFAWJLXORGRSG-GFCCVEGCSA-N 320.418 2.136 0 40 DEAB O=C1N(c2cncnc2)CC[C@@]12CCCN(Cc1ccccc1)C2 96224579 NFBQCYZMZPHJST-LJQANCHMSA-N 322.412 2.496 0 40 DEAB CC(C)[C@@H](C(=O)Nc1ccc([S@](C)=O)cc1)N1CCCC1=O 96426996 HPVHRCWSJNNTKM-OYHNWAKOSA-N 322.430 2.010 0 40 DEAB Cc1cc(C)nc(NCCCC(=O)NCCc2ccccn2)n1 95472744 HYQKDVAUXQJUOQ-UHFFFAOYSA-N 313.405 2.039 0 40 DEAB CO[C@@H](CNS(=O)(=O)c1ccc(N)cc1)c1ccc(F)cc1 97375665 JUXRXCXFGDLUDG-HNNXBMFYSA-N 324.377 2.074 0 40 DEAB c1ccc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)nc1 96112663 MLOXIIRBVHXDTD-KRWDZBQOSA-N 321.384 2.440 0 40 DEAB biogenic,in-vitro Cc1cc(NC(=O)CCCCCNc2ncccn2)nn1C 95479423 ZIIYZHKGJYOFAL-UHFFFAOYSA-N 302.382 2.130 0 40 DEAB Cn1cc(CN2CC[C@@]3(CCCO3)[C@@H](O)C2)c2cc(F)ccc21 257325779 WUKHJDYZCORVAM-ROUUACIJSA-N 318.392 2.433 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2nccnc2-c2nccn2C)ncn1 257209599 BQZSWUDVOBXZSH-CYBMUJFWSA-N 321.388 2.317 0 40 DEAB O=C(C1CC(F)C1)N1CC2(C[C@@H](Oc3cccnc3)CS2)C1 575405750 ZRNQRSKFAPVKJM-ORHYLEIMSA-N 322.405 2.295 0 40 DEAB Cc1cnc(C(=O)N2CCC(c3cccc4nccn34)CC2)cn1 585182448 WDOHIENFFAPEMU-UHFFFAOYSA-N 321.384 2.453 0 40 DEAB CC(C)C(=O)N1CCC2(CC1)CN(C)C[C@H]2COCC1CC1 585102773 FGFDCARSCHRKLL-INIZCTEOSA-N 308.466 2.239 0 40 DEAB CN1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 585109737 NCRYCVBOABAKDV-JENIJYKNSA-N 314.429 2.319 0 40 DEAB CCCC(=O)NC[C@@H]1OCCc2cn(Cc3ccccc3)nc21 585111401 SHVYLNPURDEWEW-INIZCTEOSA-N 313.401 2.462 0 40 DEAB Cc1cnc(NCC[C@@H]2CCOC23CN(C2CCCC2)C3)nc1 585103362 UZNVJXSBBQCVAF-OAHLLOKOSA-N 316.449 2.621 0 40 DEAB Cn1c(SCC(=O)NCCc2cccs2)nnc1C1CC1 5314165 YNEAANGWAJBAFA-UHFFFAOYSA-N 322.459 2.205 0 40 DEAB Cc1cc2c(cc3c(=O)n(CCN4CCCC4)nc(C)n32)s1 12115340 CGUYPQSPXBJAML-UHFFFAOYSA-N 316.430 2.423 0 40 DEAB CCCNC(=O)[C@H]1CCN(C(=O)C(C)(C)c2ccc(F)cc2)C1 19747947 GHXXGGPELBIOLE-ZDUSSCGKSA-N 320.408 2.478 0 40 DEAB Cn1nncc1CNc1cccc(-c2ccc3c(c2)OCCO3)n1 162301689 PDYLYUQQGJBGOR-UHFFFAOYSA-N 323.356 2.260 0 40 DEAB O=C(Nc1nc(C2CC2)cs1)N[C@@H]1CCc2[nH]ncc2C1 151397470 LTKOUDUKVLXEGG-SNVBAGLBSA-N 303.391 2.423 0 40 DEAB CCOC(=O)c1c[nH]c2c(C)c(C)ccc2c1=NCCCO 6077492 LFJZBLUIBKLPSM-UHFFFAOYSA-N 302.374 2.245 0 40 DEAB COc1ccc2[nH]c(CN3CCOC[C@@H]3c3cc[nH]n3)cc2c1 1848353886 URQGDQJLLMHWKG-QGZVFWFLSA-N 312.373 2.473 0 40 DEAB O=C(c1ccccn1)N1CC(Oc2ccnc(C(F)(F)F)c2)C1 1888864240 XMARQLYFYCFYEX-UHFFFAOYSA-N 323.274 2.399 0 40 DEAB CCOc1ccc(-n2ccn(CC=C(C)C)c(=O)c2=O)cc1 2086954109 MFRYIIOSBKSGHA-UHFFFAOYSA-N 300.358 2.364 0 40 DEAB CNC(=O)c1ccsc1NC(=O)Cc1ccc(OC)cc1 7614311 NRTGGTQDEKSWSW-UHFFFAOYSA-N 304.371 2.298 0 40 DEAB COc1ccc2c(c1)s/c(=N/C(=O)c1cc(C)no1)n2C 101315142 GEDBTKQPQFUTML-CCEZHUSRSA-N 303.343 2.286 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)/C=C/c1ccc(C(F)(F)F)cc1 40463030 HZAKRIKDONLKMS-OLKPEBQYSA-N 314.307 2.359 0 40 DEAB Cc1cc(CN2CCN(C(=O)CCc3cccs3)CC2)on1 40475612 DLEIDRHRZQRXFR-UHFFFAOYSA-N 319.430 2.322 0 40 DEAB COc1ccc(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3O)cc1OC 100762155 QKXIPWXFQDIWOM-ITGUQSILSA-N 307.346 2.245 0 40 DEAB biogenic,in-vitro C[C@H](CNC(=O)c1cccc(N2CCCC2=O)c1)N1CCCC1 40652939 IRGHJYMIUPPLPK-CQSZACIVSA-N 315.417 2.028 0 40 DEAB CC(C)(C)NC(=O)c1ccccc1NC(=O)N1CCOCC1 78600526 VGLKXNPIZRTGLS-UHFFFAOYSA-N 305.378 2.079 0 40 DEAB C[C@@H]1C[C@H](N2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)C(=O)O1 78900930 AJQWXIXZQVEIPX-YWVKMMECSA-N 317.311 2.312 0 40 DEAB O=C(O)c1ccc(CS(=O)(=O)c2ccccc2C(=O)O)cc1 1624296 RWCUKPZNHXZFIN-UHFFFAOYSA-N 320.322 2.057 0 40 DEAB CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@H]2COCCO2)cc1 55701316 IDMVMOFKENBNRS-PBHICJAKSA-N 321.417 2.327 0 40 DEAB Cc1n[nH]c(C)c1CNC[C@@H](O)CO[C@H](C)c1ccccc1 97160004 SZVMYWKQCWVBBN-GDBMZVCRSA-N 303.406 2.255 0 40 DEAB O=C(c1c(F)cccc1Cl)N1CCN(c2cnccn2)CC1 25836066 SUMPIBZRTAPSFL-UHFFFAOYSA-N 320.755 2.232 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccoc2C)c1 57010961 RJOZWHQNPNHCOB-UHFFFAOYSA-N 323.370 2.195 0 40 DEAB CCN(CC)C(=O)N1CCN(C(=O)Nc2ccccc2)CC1 1603404 BBAHAYBHLGUZPI-UHFFFAOYSA-N 304.394 2.298 0 40 DEAB CCn1nccc1CNC(=O)[C@@H]1CCCN1Cc1ccccc1 28236500 SULOTRRGZIKAFR-KRWDZBQOSA-N 312.417 2.184 0 40 DEAB COC(=O)c1cccnc1N1CCO[C@H](c2ccc(C)o2)C1 97140812 YMFTZAYXVPUURC-AWEZNQCLSA-N 302.330 2.348 0 40 DEAB Cc1cccc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3C2)n1 108529415 SQPWBULILAOQIQ-ROUUACIJSA-N 301.434 2.075 0 40 DEAB CC[C@@H](O)CN1CCN(Cc2cc(F)cc3cccnc23)CC1 84733526 RCNJHLISVINYQS-QGZVFWFLSA-N 317.408 2.262 0 40 DEAB CN(C)c1ncccc1CNC(=S)NCc1ccccc1 36845882 LARURLKPXGIDLL-UHFFFAOYSA-N 300.431 2.312 0 40 DEAB O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c1 100176512 VTOBAQSGVFJUTB-XUXIUFHCSA-N 309.321 2.086 0 40 DEAB c1coc(-c2noc(CN3CCN(c4nccs4)CC3)n2)c1 29967738 PKWZBZVNRFJEMU-UHFFFAOYSA-N 317.374 2.108 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)N1C[C@H](C)O[C@@H](C)C1 46826962 SLIOMKLHTOJZGW-STQMWFEESA-N 307.394 2.188 0 40 DEAB C[C@H](Cc1ccccc1C(F)(F)F)NS(=O)(=O)N(C)C 96002050 WRBJKNABPNXHNE-SECBINFHSA-N 310.341 2.032 0 40 DEAB COc1cc(/C=C\C(=O)NCCc2ccc(O)cc2)ccc1O 13533861 NPNNKDMSXVRADT-UITAMQMPSA-N 313.353 2.479 0 40 DEAB endogenous,in-man COC(=O)[C@H](CC(C)=O)c1cc(=O)oc2cc(OC)ccc12 13689571 HQPSGQYWSRRQAP-CYBMUJFWSA-N 304.298 2.037 0 40 DEAB Cc1c(C(=O)N[C@@H](C)c2ccco2)sc2ncn(C)c(=O)c12 39522408 HSRHZCLJCVXELT-VIFPVBQESA-N 317.370 2.387 0 40 DEAB O=C(O)CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1 4570341 VOSUHBRSMNYVQT-NSHDSACASA-N 302.286 2.415 0 40 DEAB CCC[C@@H](NC(=O)[C@H](C)N1CCN(C)CC1)c1ccccc1 66404919 IAYOFVSLZWVJHF-DOTOQJQBSA-N 303.450 2.280 0 40 DEAB CN(C)c1cc(CNC(=O)NC[C@]2(C)CCCS2)ccn1 84673471 VHCKXEGNXPOFDN-HNNXBMFYSA-N 308.451 2.233 0 40 DEAB c1ccc2[nH]c(CN3CCN(C[C@@H]4CCCCO4)CC3)nc2c1 96490474 UGAAMHVDLCWEKR-HNNXBMFYSA-N 314.433 2.250 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1 67619974 RBMYRJPSZSIPCZ-HNNXBMFYSA-N 304.390 2.168 0 40 DEAB C[C@@H](C(=O)N1CCC[C@H]1CCc1ccccc1)S(C)(=O)=O 83888694 SDMGIRLWUGLFOZ-ZFWWWQNUSA-N 309.431 2.043 0 40 DEAB Cc1ccc(F)c(N2CCC[C@@H](NC(=O)Cn3cccn3)C2)c1 71910066 NTCSPECPJOHETK-CQSZACIVSA-N 316.380 2.116 0 40 DEAB CN(CC(=O)Nc1ccc(F)cc1)CC(=O)NC1CCCCC1 8121437 BFYQWEUQWLYRIJ-UHFFFAOYSA-N 321.396 2.145 0 40 DEAB C[C@@H](Sc1nnnn1C1CCCC1)C(=O)NCc1ccco1 8389073 ADSMFFQFDVVTMR-SNVBAGLBSA-N 321.406 2.178 0 40 DEAB COCc1cccc(C(=O)N(C)Cc2nnc3ccccn23)c1 69453656 DDUGGBJRSPHCSU-UHFFFAOYSA-N 310.357 2.148 0 40 DEAB CCc1ccsc1C(=O)N1c2ccccc2C[C@H]1C(N)=O 69532335 OKEGIRJNKZEFKK-ZDUSSCGKSA-N 300.383 2.367 0 40 DEAB Cc1cc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)no1 69669484 JUKYUAJEJPDAMB-NSHDSACASA-N 309.391 2.013 0 40 DEAB CCN(CC)C(=S)Nc1cc(C(=O)OC)ccc1C(=O)OC 8682573 OSZZHOCQEJIFDM-UHFFFAOYSA-N 324.402 2.298 0 40 DEAB C[C@H](CC1CC1)NC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 97086273 VDUZJAQNUVCOSA-DOMZBBRYSA-N 316.405 2.065 0 40 DEAB O=C(N[C@@H]1CC[C@H](C(=O)O)C1)c1csc(Br)c1 97051514 CCYZUQPAAVXUOP-POYBYMJQSA-N 318.192 2.494 0 40 DEAB COc1ccc(C)cc1S(=O)(=O)NCC[C@@H](O)C(C)(C)C 72242648 MACJQEYOCCAFML-CQSZACIVSA-N 315.435 2.079 0 40 DEAB CCOC(=O)CN(C[C@H]1CCCO1)C(=O)/C=C/c1cccs1 72297038 SCLWCRPUXDBDLI-SBDDDAINSA-N 323.414 2.332 0 40 DEAB O=C(NCc1ncccc1F)[C@H]1CCCN(CC(F)(F)F)C1 95434365 KKOSLBZWARZKQY-JTQLQIEISA-N 319.302 2.111 0 40 DEAB CCC[C@H](C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)O 95989879 GWOIQKWVDRODJS-JSGCOSHPSA-N 307.390 2.491 0 40 DEAB CC1CCC2(CC1)OC[C@H](CN[C@@H](C(N)=O)c1ccccc1)O2 95990387 IQCPJOZVJMPGNB-ZWEVUMDMSA-N 318.417 2.124 0 40 DEAB Cc1noc(C)c1CNC(=O)[C@@H]1CCCN(c2ccccn2)C1 95955276 ZPLQCKIELBENDG-CQSZACIVSA-N 314.389 2.219 0 40 DEAB Cc1nc2cc(C(=O)N3CCN(c4ccccn4)CC3)ccc2[nH]1 74705229 VTKOTNGDWNBGPJ-UHFFFAOYSA-N 321.384 2.229 0 40 DEAB Cc1ccc([C@H]2CN(Cc3nnnn3C3CC3)CCO2)c(C)c1 75786565 GQIMGJOEOOEOTB-MRXNPFEDSA-N 313.405 2.198 0 40 DEAB COCCCN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 75915643 MVSQATRNNYZZNG-UHFFFAOYSA-N 310.825 2.063 0 40 DEAB CCCCN1C(=O)C[C@@H](C(=O)NOC)[C@H]1c1ccc(OC)cc1 23041226 BFIVZEAOBOPVRF-GDBMZVCRSA-N 320.389 2.063 0 40 DEAB Cc1cccc(-c2ccc(S(=O)(=O)NCC(=O)O)cc2)c1 32918469 TUUFHGYKFWFFHK-UHFFFAOYSA-N 305.355 2.025 0 40 DEAB CC(C)c1nc2ccc(NC(=O)CCCn3cnnn3)cc2[nH]1 524735010 YXSIPYBHXLLKHX-UHFFFAOYSA-N 313.365 2.092 0 40 DEAB C[S@@](=O)CCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 78765235 YLZIEVISUXADCY-QFIPXVFZSA-N 313.378 2.006 0 40 DEAB COc1ccc([C@H]2[C@H](CO)[C@@H]2S(=O)(=O)c2ccccc2)cc1 218099254 DRJFCBRDSOLEIA-ULQDDVLXSA-N 318.394 2.243 0 40 DEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCO[C@@H]2CCCC[C@H]21 71821208 QYWVXYORPIVPPG-HZPDHXFCSA-N 312.369 2.312 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)c1ccc(F)cc1Br 22146785 ASMLQUMKCFKSEH-SNVBAGLBSA-N 316.126 2.277 0 40 DEAB CNC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 223223798 HLMYVSDLVKCBHY-UVTDQMKNSA-N 316.382 2.274 0 40 DEAB Cc1nc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)co1 225890620 VCJRXQBWUXODTG-UHFFFAOYSA-N 313.357 2.400 0 40 DEAB Cc1c[nH]cc1C(=O)N(C)CCCN(C)Cc1ccncc1 573555935 ZELONDPLCVTSGE-UHFFFAOYSA-N 300.406 2.312 0 40 DEAB COCCN1CCN(Cc2csc(C)n2)Cc2cccnc21 96069181 KECPKFKLFPXUNR-UHFFFAOYSA-N 318.446 2.315 0 40 DEAB CN(CCCN1CCCCC1)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 97103390 ALCAPYHHFOCNNY-CVEARBPZSA-N 316.511 2.150 0 40 DEAB CC(C)(C)CNC(=O)c1ccc(C(=O)N[C@@H]2CCCOC2)cc1 96422339 XPCHEAAPCWMBGS-OAHLLOKOSA-N 318.417 2.371 0 40 DEAB COc1cc(OC)cc(N2CC[C@@H](N(C)Cc3ccno3)C2)c1 96448425 FJPLBCJKEINOSI-CYBMUJFWSA-N 317.389 2.403 0 40 DEAB CCc1nc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)n[nH]1 97097915 PLRWYCYABVJGBQ-CYBMUJFWSA-N 305.403 2.360 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)O 98038004 OSMDYMQYNMGAOT-BDJLRTHQSA-N 318.373 2.265 0 40 DEAB C[C@H](COc1ccc(F)cc1)NC(=O)N1CCOCC[C@H]1C 91623182 BVWVUBLGDZBJQE-CHWSQXEVSA-N 310.369 2.413 0 40 DEAB CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H]2OCc1ccccn1 248181166 YSZIJNHBPGOZNQ-VNQPRFMTSA-N 324.446 2.191 0 40 DEAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 245231482 DMSSBLFWFTUXFM-NQLMQOPMSA-N 307.349 2.447 0 40 DEAB C[C@@H]1[C@@H](CC(=O)NCC2CC2)COCCN1Cc1ccoc1 249680966 AZVMOGBLMUJDHM-CJNGLKHVSA-N 306.406 2.033 0 40 DEAB O=C(c1cscn1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247866003 ORLXREQWUXFDLI-LLVKDONJSA-N 310.444 2.270 0 40 DEAB CC(C)c1ncc(C(=O)N2CCNC[C@@H]2c2ccccc2)cn1 257287252 PPDPBKIAXFHDBK-MRXNPFEDSA-N 310.401 2.387 0 40 DEAB CCOC(=O)COc1ccc(NC(=O)NCC(F)(F)F)cc1 252488106 IJPBUQDQIJXNOR-UHFFFAOYSA-N 320.267 2.312 0 40 DEAB COc1cc(N2CCN(Cc3ccc(F)cc3F)CC2)ncn1 184093188 ZIGTZGOOKPTTNN-UHFFFAOYSA-N 320.343 2.086 0 40 DEAB COCCN1CCC(c2ccnc(Nc3cnccn3)c2)CC1 257249518 JISICRJFHCWYIH-UHFFFAOYSA-N 313.405 2.441 0 40 DEAB O=C(O)c1ccnc(OCC(F)(F)F)c1Br 725325963 MCAIWNHDTSNENR-UHFFFAOYSA-N 300.030 2.483 0 40 DEAB Cc1ccc(F)c(C(=O)N2CCC(N3CCO[C@@H](C)C3)CC2)c1 66074676 WPRSSGWCSNEVRJ-AWEZNQCLSA-N 320.408 2.459 0 40 DEAB CCN1CCC[C@H](OC(=O)C2=NO[C@H](c3ccccc3)C2)C1 97371494 GANSZBIAFDDQIW-INIZCTEOSA-N 302.374 2.532 0 40 DEAB CC[C@H](C)NC(=O)CN1CCN([C@@H]2C=CCCCCC2)CC1 575430471 DWNGXTITRATIIU-DLBZAZTESA-N 307.482 2.408 0 40 DEAB Cc1ccc(C(=O)NCC(C)C)cc1N1CCCCS1(=O)=O 5439661 KSPBNHMUZNVCJO-UHFFFAOYSA-N 324.446 2.311 0 40 DEAB O=C(CNC(=O)Cc1ccccc1)NCCCc1ccccc1 5825085 VPJZZJOTJVXUGM-UHFFFAOYSA-N 310.397 2.094 0 40 DEAB C[C@@H](NC(=O)C1=NN(C)C(=O)CC1)C12CC3CC(CC(C3)C1)C2 16706436 XRMWLBSUVBZJGD-HDPALTEOSA-N 317.433 2.316 0 40 DEAB Cc1cc(-c2cc3nc(C)c(C)c(NCCN(C)C)n3n2)no1 19119585 RKWYLLQARLLDSW-UHFFFAOYSA-N 314.393 2.283 0 40 DEAB COc1ccc(CC[C@H](C)NC(=O)C(C)(C)n2cncn2)cc1 19455776 FUUIKZZYTSSFMT-ZDUSSCGKSA-N 316.405 2.159 0 40 DEAB COCC(=O)N1CC[C@@H](c2cc(-c3ccc(F)cc3)n[nH]2)C1 19592716 JFYDZJNLAIZQBW-GFCCVEGCSA-N 303.337 2.178 0 40 DEAB O=C1CCc2cc(S(=O)(=O)Oc3ccccc3F)ccc2N1 19680531 NWGKSWLMAJRBAX-UHFFFAOYSA-N 321.329 2.478 0 40 DEAB Cc1n[nH]c(C)c1[C@H](C)NC(=O)C1CN(C2CCCCC2)C1 19747442 BSVISNTYSDYFFE-NSHDSACASA-N 304.438 2.468 0 40 DEAB CCc1nc2ccccc2n1C1CCN(C(=O)[C@@H](C)N)CC1 158186462 BXHRHPMTANVJQC-GFCCVEGCSA-N 300.406 2.109 0 40 DEAB CC(C)(C)OC(=O)CC(=O)C[C@@H](O)COCc1ccccc1 33967908 VBXDDEFKXNFJLL-OAHLLOKOSA-N 308.374 2.255 0 40 DEAB in-vitro Cc1ccc(CN2CCO[C@@H](C(=O)N3CCCCC3)C2)cc1 1888846775 NDWAUFMFWJQMQZ-QGZVFWFLSA-N 302.418 2.208 0 40 DEAB CCc1c(C)ncnc1N1CCN(C(=O)OC(C)(C)C)CC1 1888896934 CLOYVUIHAZQEOL-UHFFFAOYSA-N 306.410 2.405 0 40 DEAB O=C(Nc1ccc(CC(=O)N2CCOCC2)cc1)c1ccccc1 13714635 HTJWJMBSGCODOS-UHFFFAOYSA-N 324.380 2.340 0 40 DEAB CC(=O)NCCCc1ccc(C(=O)COC(=O)[C@H]2C[C@H]2C)cc1 25439620 RIRUOMFZCKPQJG-WBMJQRKESA-N 317.385 2.137 0 40 DEAB O=C1COC[C@]2(CCN(CC3CC3)C2)CN1c1ccccc1 2037980950 OGBXVYPHSVOCJS-SFHVURJKSA-N 300.402 2.152 0 40 DEAB CC(C)CN(C(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 4504585 OLWPUXWAPPUFFZ-CQSZACIVSA-N 313.394 2.111 0 40 DEAB C[C@@H](Cc1ccc2c(c1)CCO2)Nc1ncnc2c1ncn2C 1775971886 WOLKTTFXSCLABP-NSHDSACASA-N 309.373 2.341 0 40 DEAB CCc1nc2ccc(Cl)cn2c1C(=O)NC(C)(C)C(=O)O 71470260 AFSROXIALQCUDA-UHFFFAOYSA-N 309.753 2.143 0 40 DEAB NC(=O)C1CCN(C(=O)c2cc(Cl)sc2Cl)CC1 26535760 ROVSAEOBPJICNX-UHFFFAOYSA-N 307.202 2.392 0 40 DEAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)[C@@H]1CCS(=O)(=O)C1 40493916 FBJJENKUOSVYDR-WCQYABFASA-N 321.398 2.387 0 40 DEAB Cc1cnc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cn1 40461947 HBMPGADXKAVJNH-AWEZNQCLSA-N 316.430 2.413 0 40 DEAB CNC[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 40594165 WGMOFTLRRNTIFR-SNVBAGLBSA-N 301.312 2.172 0 40 DEAB CC[C@@H]1CCCCN1C(=O)c1ccc(NS(C)(=O)=O)cc1 55104697 GQNKBNNOTROWJD-CQSZACIVSA-N 310.419 2.463 0 40 DEAB CCCNC(=O)CN(C)C(=O)CCC(=O)c1cc(C)sc1C 78259838 HHXYXNDCHYZNAJ-UHFFFAOYSA-N 324.446 2.312 0 40 DEAB CC(=O)c1c(F)cccc1N1CCC[C@@H](N2CCNC2=O)C1 78726095 HPZYBPCIUURCBH-GFCCVEGCSA-N 305.353 2.022 0 40 DEAB CC(C)c1nn(C)c(Cl)c1C(=O)NC[C@H](O)c1ccco1 78939141 ZMSCKJPVYPGUMV-VIFPVBQESA-N 311.769 2.253 0 40 DEAB CC(C)(C)[C@@H](NC(=O)c1ccc(F)c(C(F)(F)F)c1)C(N)=O 106414666 CQRHTSLSGMSHFS-JTQLQIEISA-N 320.286 2.474 0 40 DEAB O=C(C1CC1)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)CC1 25169091 JULRAIACVVXQAJ-HZPDHXFCSA-N 316.376 2.010 0 40 DEAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CCCO1)O[C@H](C)C2 25395250 LKWGOMWLRIWXAE-RISCZKNCSA-N 305.374 2.204 0 40 DEAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCC[C@H]1C[C@H](O)c1ccco1 108106275 XBXFOBLWDFLHNI-VYDRJRHOSA-N 320.389 2.197 0 40 DEAB Cc1ccccc1OC[C@H](C)NS(=O)(=O)c1c(C)noc1C 57020744 ODEPETMTPHBIAN-NSHDSACASA-N 324.402 2.346 0 40 DEAB CCC(=O)NC(=S)Nc1nc2ccc(C(=O)OC)cc2s1 8904324 NNJTWCUDZRLKHC-UHFFFAOYSA-N 323.399 2.306 0 40 DEAB COCCOc1ccccc1C(=O)N(C)CCc1ccncc1 58279281 LBYMCQYIKAABQF-UHFFFAOYSA-N 314.385 2.422 0 40 DEAB COc1ccc(-c2[nH]ncc2CN2CC[C@](F)(C(=O)O)C2)cc1 95945671 NYHZZKGNCABWNI-MRXNPFEDSA-N 319.336 2.084 0 40 DEAB C[C@H](NC(=O)COCc1nc2ccccc2s1)[C@H]1CCCO1 27867826 JOZJRBCINNLSII-WCQYABFASA-N 320.414 2.497 0 40 DEAB Cc1cc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)sc1C 28012678 GKTCNFRWEXHZBL-CQSZACIVSA-N 310.463 2.452 0 40 DEAB CCCOC(=O)CNC(=O)c1ccc(OCC)c(OCC)c1 28215383 SCDHWXMPOLKZTA-UHFFFAOYSA-N 309.362 2.167 0 40 DEAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cnn(C)c2)cc1 29386661 AFOGQGYSDCFJIW-LVZFUZTISA-N 306.369 2.319 0 40 DEAB COC(=O)c1sc2nc(-c3cccnc3)[nH]c(=O)c2c1C 46438367 JLVGKJSVMGRCSD-UHFFFAOYSA-N 301.327 2.142 0 40 DEAB O=C(COCC(F)(F)F)NC[C@@H]1CCN(c2ccccc2)C1 60502972 APPASCVJHDXLAE-LBPRGKRZSA-N 316.323 2.208 0 40 DEAB Cc1noc(C)c1CC(=O)NCc1cnn(Cc2ccccc2)c1 46700375 UADTUJHZNSATFD-UHFFFAOYSA-N 324.384 2.395 0 40 DEAB Cc1ccc(C)c(CN2CCN([C@@H](C)C(=O)NC3CC3)CC2)c1 54372520 RHWBCTHLOYZOHM-INIZCTEOSA-N 315.461 2.088 0 40 DEAB Cc1cc([C@H]2CCCN2Cc2cc(=O)n3ccsc3n2)on1 47273733 OJQJYTSCEFYVEI-GFCCVEGCSA-N 316.386 2.390 0 40 DEAB CC(=O)N1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 3367230 RJEZJDPLOVZEGH-UHFFFAOYSA-N 316.430 2.157 0 40 DEAB COc1ccc(C2=NO[C@@H](C(=O)NC(C)(C)C)C2)cc1OC 12849109 BJXDBGLCXHUGOY-CQSZACIVSA-N 306.362 2.112 0 40 DEAB CC1CCN(c2ccccc2N2C[C@H](C(=O)O)CC2=O)CC1 57328202 ISJMNEWPOYCHEZ-CYBMUJFWSA-N 302.374 2.360 0 40 DEAB COc1cc(-c2ncc(C(=O)O)c(C)n2)cc(OC)c1OC 22124132 CBEDTPWGRVTNLR-UHFFFAOYSA-N 304.302 2.176 0 40 DEAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2CC(=O)O)cc1 62715988 NTVBZRPUZZNKQM-INIZCTEOSA-N 312.325 2.346 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)N)cc1F 63194060 GLRPRRNCOSNCKW-BXUZGUMPSA-N 300.399 2.025 0 40 DEAB C[C@@H](CO)CS[C@@H](C(N)=O)c1cccc(Br)c1 95448538 KHXGPVIRABHUNE-GZMMTYOYSA-N 318.236 2.337 0 40 DEAB O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc3[nH]ccc3c2)C1 13692205 QKIRQSFKGLCCFB-AWEZNQCLSA-N 311.385 2.299 0 40 DEAB CCOc1ncnc2c1CN(C[C@H](O)c1ccccc1F)CC2 65463552 QMXJMXGLSSADCV-INIZCTEOSA-N 317.364 2.106 0 40 DEAB COc1ncnc(N)c1CNc1cc(C2CCCCC2)nn1C 89741074 ZEMWSPLZOURFAP-UHFFFAOYSA-N 316.409 2.461 0 40 DEAB CC1(C)C(=O)NCCN1Cc1ncc(-c2ccc(F)cc2)o1 66529051 UXWKOEJHHXZZQP-UHFFFAOYSA-N 303.337 2.191 0 40 DEAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)n[nH]2)cc1 4817036 CIBVOUXPGQQYRW-SECBINFHSA-N 304.375 2.435 0 40 DEAB O=C(CCn1cccn1)Nc1csc(N2CCCCC2)n1 96496594 OCYUWXVCUMOROZ-UHFFFAOYSA-N 305.407 2.359 0 40 DEAB Cc1cc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)on1 6852247 AYDDZVMHJHGPJU-NSHDSACASA-N 300.314 2.118 0 40 DEAB Cc1cc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)on1 6852010 ORTLXUTWOQZYSC-CQSZACIVSA-N 314.341 2.334 0 40 DEAB O=C(Nc1ccccc1F)[C@H]1CCCN(c2ncccn2)C1 9577393 WNVVQRWXJNLSIM-LBPRGKRZSA-N 300.337 2.471 0 40 DEAB Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccccc2)c1 4942434 NJFADYCYZKKSNW-UHFFFAOYSA-N 318.398 2.302 0 40 DEAB O=C(NCc1ccc(Oc2cccnc2)c(F)c1)[C@H]1CCCN1 67552324 UMBBTETTZDIDIE-OAHLLOKOSA-N 315.348 2.381 0 40 DEAB CCCOc1ccc(OCC(=O)N(C)CCCC(=O)O)cc1 71831261 DUZSFCHMQXQXJZ-UHFFFAOYSA-N 309.362 2.177 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)C1 71821030 XGTOHKOPYROPNF-LBPRGKRZSA-N 309.369 2.060 0 40 DEAB C[C@@H](NC(=O)NCCN(C)C(=O)OC(C)(C)C)c1cccnc1 71857178 JLDUATPWIQSFJS-GFCCVEGCSA-N 322.409 2.309 0 40 DEAB Cc1nn(C)cc1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)O)c1 71844037 JBAZTVHISBEAIB-GUOLPTJISA-N 314.341 2.477 0 40 DEAB O=C(N[C@@H]1CC=CCC1)c1cnn2cc(Br)cnc12 94158223 LIYHCAAQYSYEMJ-SNVBAGLBSA-N 321.178 2.330 0 40 DEAB CC(C)c1cc(NC(=O)N2CC(=O)N[C@H]3CCCC[C@H]32)no1 98020369 HAEISRPRYQTJFP-WDEREUQCSA-N 306.366 2.073 0 40 DEAB O=C1N[C@@]2(CCSC2)C(=O)N1Cc1ccc2ccccc2n1 69157750 ORQKFPHHXYDIHD-MRXNPFEDSA-N 313.382 2.162 0 40 DEAB Cc1ccccc1[C@@H]1CCN(CCC(=O)N2CCOCC2)C1 69512220 FOFVXRDXXYNLNE-MRXNPFEDSA-N 302.418 2.033 0 40 DEAB NC(=O)C[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCCC2 69584900 SLWKBEMRPIXAGH-MRXNPFEDSA-N 300.402 2.436 0 40 DEAB Nc1nc(Cl)cc(NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 69769810 PHACXCMFMICNJN-UHFFFAOYSA-N 319.731 2.249 0 40 DEAB O=C(C[C@@H]1CCCN1C(=O)N1CCOCC1)c1ccccc1 97052427 YWHJKASCHGCLMO-HNNXBMFYSA-N 302.374 2.176 0 40 DEAB CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)no1 72232117 ACYMKQYLOIQMDF-STQMWFEESA-N 307.394 2.468 0 40 DEAB COC(=O)c1ccc(C(=O)O[C@H](C)CCn2cccn2)cc1 95997337 UQQDVHKGNBZNPB-GFCCVEGCSA-N 302.330 2.305 0 40 DEAB Cc1cc([C@](C)(O)CNC(=O)Cc2c(C)noc2C)c(C)o1 95962430 ISBBISRWIOUHOM-MRXNPFEDSA-N 306.362 2.068 0 40 DEAB Cc1cc(C)c(CNC(=O)N(C)Cc2cccs2)c(=O)[nH]1 72305699 NIHJDBZPDMTOPF-UHFFFAOYSA-N 305.403 2.395 0 40 DEAB CCC(CC)S(=O)(=O)NC(=O)c1c(C)nn(CC)c1Cl 76090188 BZXXEABULCXLQJ-UHFFFAOYSA-N 321.830 2.113 0 40 DEAB COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)O)C2)nn1 61966106 ZIBOOQHMCPGNOK-LBPRGKRZSA-N 313.357 2.453 0 40 DEAB CCOc1ccc(O[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 174068732 QUIQYKSZCGRFJA-OAHLLOKOSA-N 315.373 2.312 0 40 DEAB O=C(NC[C@]1(O)CCOC1)N[C@H](CC1CCC1)c1ccccc1 183627356 CLJVPZXHHVTUIN-SJLPKXTDSA-N 318.417 2.369 0 40 DEAB CC(C)(C)c1noc(-c2cccnc2-n2cnc(C(=O)O)c2)n1 70451529 SVHRMNJDFDBYKF-UHFFFAOYSA-N 313.317 2.313 0 40 DEAB C[C@@H]1NC(=S)N([C@H](c2ccc3c(c2)OCCO3)C2CC2)C1=O 79925315 FZFNBIDNRGGQCK-XPTSAGLGSA-N 318.398 2.014 0 40 DEAB CC(=O)c1ccc(S(=O)(=O)N(C)c2cccc(C)n2)cc1 137272609 LRPRLLXQWCDNNZ-UHFFFAOYSA-N 304.371 2.418 0 40 DEAB Cc1ccc(C(=O)NCCCn2ncc3c2c(C)nn3C)s1 72240925 DSDYEFIUVXGYMQ-UHFFFAOYSA-N 317.418 2.268 0 40 DEAB COc1cccc(C(=O)NCc2cnn3ccccc23)c1OC 75162729 CGGVFVKCDRSVPZ-UHFFFAOYSA-N 311.341 2.282 0 40 DEAB Cc1nc2cc(C(=O)Nc3ccc(CC(N)=O)cc3)ccc2n1C 225893078 AKXCRWMSQCQCKH-UHFFFAOYSA-N 322.368 2.162 0 40 DEAB Cc1ccn2c(O)c(C(=O)NCC3CCCCC3)c(=O)nc2c1 226822100 VSOLBZLUKGCPOX-UHFFFAOYSA-N 315.373 2.019 0 40 DEAB O=C(Nc1cccnc1)N1CCOC[C@H](Oc2ccccc2)C1 85435959 WKARYGJEFUNNQT-MRXNPFEDSA-N 313.357 2.393 0 40 DEAB biogenic,in-vitro O=C1c2cnc(N3CCCC3)nc2CN1Cc1cccc(F)c1 46088081 UAQJYUYKEFERNB-UHFFFAOYSA-N 312.348 2.372 0 40 DEAB CCOC(=O)c1cccc(NC(=S)NCCN(C)C)c1C 225404011 GHRVZKUUIHACPY-UHFFFAOYSA-N 309.435 2.020 0 40 DEAB Cc1ccn2c(O)c(C(=O)N[C@H](C)c3ccccc3)c(=O)nc2c1 136832113 YLUSTPQMLKIKGI-GFCCVEGCSA-N 323.352 2.200 0 40 DEAB Cc1cccc(NC(=O)C[C@H](C)NC[C@@]2(O)CCSC2)c1 531738336 KJIXJNYQSKPLTF-BBRMVZONSA-N 308.447 2.170 0 40 DEAB COC(=O)c1cc(N)cc(I)c1Cl 575725848 LEJYYNPAIGZSKO-UHFFFAOYSA-N 311.506 2.313 0 40 DEAB COc1cccc(CC(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1 40107612 MBHKZYPTJOZHTF-GJZGRUSLSA-N 304.434 2.332 0 40 DEAB Cc1ccc(CS(=O)(=O)NC(=O)c2cccs2)c(F)c1 190868928 MKEFLOVJAFQSEH-UHFFFAOYSA-N 313.375 2.455 0 40 DEAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)O 195542084 RNJZSPFHQIIFTH-UJNFCWOMSA-N 301.264 2.398 0 40 DEAB O=C(c1ccco1)N1CCn2cc(CN3CCCCC3)nc2C1 96197260 UFFGAIWDQAFEHN-UHFFFAOYSA-N 314.389 2.118 0 40 DEAB CC(C)(NC(=O)c1ccc(-n2cnnn2)cc1Cl)C1CC1 536566627 OVGFMCMBCJOBOE-UHFFFAOYSA-N 305.769 2.234 0 40 DEAB Cc1cnc(N2C[C@@H](c3ccccc3)[C@@]3(CCN(C)C3=O)C2)nc1 96201846 MVCXGILVFOXBJT-QFBILLFUSA-N 322.412 2.237 0 40 DEAB CN1[C@H](Cn2cccn2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 96185667 WEZHJQPSCVKASP-IKGGRYGDSA-N 300.406 2.071 0 40 DEAB C[C@@H]1CN=C(N2CCN(C(=O)CCc3ccsc3)CC2)S1 96426977 GENBKFDXKGBDJN-GFCCVEGCSA-N 323.487 2.316 0 40 DEAB COc1cccc(F)c1[C@H](C)NC(=O)c1c(C)nn(C)c1OC 96426697 XRRXRVBOOJSRHL-VIFPVBQESA-N 321.352 2.376 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4csc(C)n4)C[C@H]3O2)no1 96046185 FXODEWATTQXDMD-IACUBPJLSA-N 320.418 2.495 0 40 DEAB CC(C)CN1CCN(C)C2(CCN(Cc3ccco3)CC2)C1=O 96050045 XGNYZMHIBSTADQ-UHFFFAOYSA-N 319.449 2.044 0 40 DEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)N(C)[C@H](CC)c1ccncc1 252477392 MZTYFTSLJRFDLT-KCQAQPDRSA-N 320.437 2.477 0 40 DEAB CCN(CC)CCNc1cc(C)nc2nc(C(F)(F)F)nn12 26690507 HPHUCMWCPBFKSF-UHFFFAOYSA-N 316.331 2.205 0 40 DEAB O=C(c1ccc2[nH]cnc2c1)N1CC[C@@H](n2cc(C3CC3)nn2)C1 253472366 LXEFRMRUNGHOHN-CYBMUJFWSA-N 322.372 2.119 0 40 DEAB CCN(c1ccccc1)[C@@H]1COC2(CCN(CC(=O)O)CC2)C1 257206019 BBNIIKYNXZJFOG-INIZCTEOSA-N 318.417 2.221 0 40 DEAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2Cc2c[nH]cn2)n1 257340312 ZFLPOAVSRFCJEK-MRXNPFEDSA-N 300.410 2.085 0 40 DEAB Cc1cc(NC(C)C)nc([C@@H]2CCCCN2S(C)(=O)=O)n1 257289422 PYNLEMQTBYXCMG-LBPRGKRZSA-N 312.439 2.092 0 40 DEAB COCCN1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1 585100756 VRLZLHYBLIWUOQ-KRWDZBQOSA-N 306.406 2.387 0 40 DEAB COC(=O)/C=C1\SCC(=O)N1Cc1cc(-c2ccco2)on1 96310956 CHNFNLBYDPTIHH-MLPAPPSSSA-N 320.326 2.024 0 40 DEAB COc1cccc(NC(=O)CSc2nc(C)c(C)c(=O)[nH]2)c1 5155203 RZSYVXKKGKBWIJ-UHFFFAOYSA-N 319.386 2.126 0 40 DEAB COCC(=O)N1[C@H]2CC[C@H](C2)[C@@H]1COc1cccc(OC)c1 12085302 ZGDFUIXCMNHQDU-WWGRRREGSA-N 305.374 2.100 0 40 DEAB Cc1ccc(NC(=O)Cn2nc3c(cc2=O)CCCC3)cc1C 12414905 AOLGRESXGBUTMB-UHFFFAOYSA-N 311.385 2.378 0 40 DEAB O=C1CN(C(=O)Cc2noc3ccccc23)c2ccccc2N1 14851885 WPOGMEMBBZARSB-UHFFFAOYSA-N 307.309 2.356 0 40 DEAB CC(C)COC(=O)[C@@H](N)[C@@H](C(=O)OCC(C)C)c1ccccc1 19203248 BOJVLUPCUOHWSK-HOTGVXAUSA-N 321.417 2.496 0 40 DEAB COc1ccc(C(=O)CSC(=S)N2CCN(C)CC2)cc1 19991355 FKXWIDNGBHLAGK-UHFFFAOYSA-N 324.471 2.143 0 40 DEAB COc1cccc(CO[C@@H](C)C(=O)O[C@H]2C(=O)OCC2(C)C)c1 78768613 QYWSRWGAZCPYHW-FZMZJTMJSA-N 322.357 2.095 0 40 DEAB CCOc1cc(CNC(=O)c2ncnc3c2CCCC3)ccn1 1888853582 KPJUMFNQGABMMF-UHFFFAOYSA-N 312.373 2.079 0 40 DEAB Cc1cc(C)c(S(=O)(=O)N[C@H]2CCC[C@H](C(=O)O)C2)s1 383334236 TYYUVGWTSYUSGK-QWRGUYRKSA-N 317.432 2.287 0 40 DEAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncnc3c2CCC3)C1 2087127696 PIFDAZQRXVKOME-ZDUSSCGKSA-N 316.449 2.439 0 40 DEAB CCOc1ccc2c(c1)s/c(=N\C(=O)CSC(C)=O)n2C 100825282 GHMQFFMKVOQACY-PFONDFGASA-N 324.427 2.346 0 40 DEAB COc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)cn1 30030330 DZXHBUZKYCKYMF-MRXNPFEDSA-N 311.385 2.219 0 40 DEAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCOCC1 41383930 QRORLIYHYOBPKX-UHFFFAOYSA-N 311.407 2.068 0 40 DEAB COC(CN(C)c1ncnc2c1[nH]c1cccc(C)c12)OC 544013 KYCGOSBFYXZCKX-UHFFFAOYSA-N 300.362 2.475 0 40 DEAB NC(=O)CCN(Cc1ccccc1)C(=O)Cc1cccc(F)c1 53336472 JKJWCLBTKXZALU-UHFFFAOYSA-N 314.360 2.272 0 40 DEAB Cc1cc(C(=O)NC[C@H](CC(C)C)N2CCOCC2)c(C)o1 22970198 FAYDXTGVWOPQOT-HNNXBMFYSA-N 308.422 2.373 0 40 DEAB CC(C)OC(=O)CSc1nnc(-c2ccc(O)cc2)n1C 422405 DUOGJVBFNPYGFT-UHFFFAOYSA-N 307.375 2.231 0 40 DEAB CCCCNC(=O)[C@@H]1CC[C@H](C)N(CC[C@@H]2CCCN2C)C1 84744506 ZJNQBZFTEUVJPA-BBWFWOEESA-N 309.498 2.488 0 40 DEAB CC(C)(C(=O)NCc1ccc(C(N)=O)o1)c1ccc(F)cc1 78985843 KZYQUKMJHYXUIS-UHFFFAOYSA-N 304.321 2.112 0 40 DEAB CC(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 1719070 BHYMVDJYOXTZHM-UHFFFAOYSA-N 300.358 2.120 0 40 DEAB Cc1nsc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)n1 78949741 MEPVRODVZXQZJS-JTQLQIEISA-N 320.374 2.073 0 40 DEAB C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1cccnc1 43784999 QYKXPOOSPKXMOL-LBPRGKRZSA-N 317.418 2.131 0 40 DEAB C[C@H](NC(=O)N1CCN(c2nccs2)CC1)c1ccccn1 26185418 VNVLYHZNQAHIKW-LBPRGKRZSA-N 317.418 2.131 0 40 DEAB COc1ccc(OC)c(CNS(=O)(=O)c2ccc(C)cc2)c1 24452273 SIBVUDGHWJKTDV-UHFFFAOYSA-N 321.398 2.491 0 40 DEAB CC(C)(C)c1cc(NC(=O)CNC(=O)Cc2ccccc2)[nH]n1 58136577 FVCYOMABNVZDEV-UHFFFAOYSA-N 314.389 2.005 0 40 DEAB CCCN1CCCN(C(=O)NCc2ccc3c(c2)OCO3)CC1 58152581 LJVUHZQXNCRQDP-UHFFFAOYSA-N 319.405 2.043 0 40 DEAB C[C@@H]1CCCCN1S(=O)(=O)CCn1cnc2ccccc21 10237779 UMURXQSBPHAPFB-CYBMUJFWSA-N 307.419 2.241 0 40 DEAB CCN1CCN(C(=O)CCCOc2ccc(OC)cc2)CC1 50123169 QERGLHUFVHIBJR-UHFFFAOYSA-N 306.406 2.018 0 40 DEAB COc1cccnc1NC(=O)c1csc(-c2cnn(C)c2)n1 58202148 CZZPGXZRKRYHNX-UHFFFAOYSA-N 315.358 2.200 0 40 DEAB Cc1csc(CNC(=O)NC[C@@H](O)c2ccc(F)cc2)n1 44955317 NPFYRWZLCFTTEG-GFCCVEGCSA-N 309.366 2.123 0 40 DEAB c1cncc(-c2n[nH]cc2CNCc2ccc3c(c2)OCO3)c1 48040661 YECBGHPTQFXTLG-UHFFFAOYSA-N 308.341 2.490 0 40 DEAB CC(C)NC(=O)Nc1cccc(C(=O)NO[C@@H]2CCCCO2)c1 58330520 TYILEVJFYMWOJP-CQSZACIVSA-N 321.377 2.405 0 40 DEAB Cc1csc(NC(=O)CCn2cc(Br)cn2)n1 27968825 GWKNILBXANIRFA-UHFFFAOYSA-N 315.196 2.439 0 40 DEAB CC[C@H](C)N1CCN(C(=O)COc2ccc(OC)cc2)CC1 20084402 DFJHEBFOQLHCKO-AWEZNQCLSA-N 306.406 2.017 0 40 DEAB CC(C)NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3318933 KQFSUSRPNPWCTA-UHFFFAOYSA-N 321.358 2.082 0 40 DEAB CN(C)S(=O)(=O)c1cccc(CSc2nncs2)c1 3361945 YCTXRCCQKXVTRX-UHFFFAOYSA-N 315.445 2.081 0 40 DEAB c1ccc(OC2CCCC2)c(CNc2cncc3nnnn23)c1 48343081 ARSNRYDVTLOFAF-UHFFFAOYSA-N 310.361 2.453 0 40 DEAB COc1c(Cc2ccccc2)[nH]c(=O)c(Cc2ccccc2)[n+]1[O-] 13449668 JXYUVGGSKHTJHO-UHFFFAOYSA-N 322.364 2.199 0 40 DEAB biogenic COc1cc(NC(=O)N2CCc3c(F)cc(F)cc3C2)ncn1 96008666 BIIYZLREHYLHSZ-UHFFFAOYSA-N 320.299 2.354 0 40 DEAB CC1(C)C[C@@H](N[C@@H]2CCN(C(=O)c3cccnc3)C2)C(C)(C)O1 95423851 KXTBXTRRVFOWIW-HUUCEWRRSA-N 317.433 2.232 0 40 DEAB Cc1cc(C[S@](=O)CC(=O)N[C@H](C)c2ccccc2)no1 64811633 AYOJMMJVKNMBOV-XUSGNXJCSA-N 306.387 2.109 0 40 DEAB CCc1ccc([C@H](CNC(=O)c2cnc(C)cn2)N(C)C)cc1 39975677 OVBFBRGHCBXJCN-KRWDZBQOSA-N 312.417 2.380 0 40 DEAB CC[C@@H](C)S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 24614068 NMBLYHNJMDAOPD-GFCCVEGCSA-N 300.399 2.076 0 40 DEAB CO[C@](C)(C(=O)NC[C@H](O)Cc1ccccc1)c1ccccc1 95417030 HPJUYDOUQWZWJN-MJGOQNOKSA-N 313.397 2.268 0 40 DEAB CC(=O)c1c(NCc2ccc3c(c2)OCO3)oc(C)cc1=O 4745547 MZQYKGHAGRTHRH-UHFFFAOYSA-N 301.298 2.492 0 40 DEAB NC(=O)COc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 9479708 BIHPFEMWABUXTI-KRWDZBQOSA-N 324.380 2.358 0 40 DEAB NC(=O)COc1cccc(CNC(=O)CC2=CCCCC2)c1 96431563 APDOMOBHLAHCGW-UHFFFAOYSA-N 302.374 2.057 0 40 DEAB Cc1ccsc1C(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 71885834 CXUMNRPNPQZEAC-HNNXBMFYSA-N 321.490 2.299 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)Cc1nnc(C2CC2)o1 71824654 CMMCXSZJSCAGMA-UHFFFAOYSA-N 301.346 2.350 0 40 DEAB COCCCN1CCCN([C@@H](C)c2nc(C3CC3)no2)CC1 81086370 WVTQERJSAKYFCZ-ZDUSSCGKSA-N 308.426 2.052 0 40 DEAB Cc1nc(C)c(C(=O)NCCc2csc(N3CCCC3)n2)o1 81045145 XYBZFLQBYYYRFJ-UHFFFAOYSA-N 320.418 2.321 0 40 DEAB O=C1C[C@H](c2ccccc2)N(C(=O)COC2CCCC2)CCN1 71821288 LMAGPWMPTSLLNN-MRXNPFEDSA-N 316.401 2.035 0 40 DEAB Cc1ccc([C@@H](O)CN2CCCC[C@@H]2Cn2cncn2)cc1C 71876423 KPEOOBZBZPVHPN-MSOLQXFVSA-N 314.433 2.483 0 40 DEAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(N)=O 83888441 POOKIHDDLXDNGX-SFGNSQDASA-N 301.264 2.226 0 40 DEAB CC(C)CN(C(=O)NCc1cccnc1-n1cncn1)C(C)C 70005338 PQGMYVPWMCJQKH-UHFFFAOYSA-N 316.409 2.238 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccc2nccnc2c1)c1ccco1 8341256 ZYEYSIJVSOSWJW-HNNXBMFYSA-N 310.357 2.256 0 40 DEAB C[C@@H](C(=O)NCCCCc1cnn(C)c1)N1CCCCCC1 95404221 WRSMPFCRSDXQHJ-HNNXBMFYSA-N 306.454 2.124 0 40 DEAB O=S(=O)(CCCNCc1cccc(O)c1)c1ccccc1 69780311 SLCTUBCNWWNXKD-UHFFFAOYSA-N 305.399 2.346 0 40 DEAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2cccnc2)n1 84114765 ANCOBNGOUNQRBO-UHFFFAOYSA-N 308.345 2.235 0 40 DEAB Cc1cc(C(=O)OCc2cncc(Br)c2)cc(=O)[nH]1 97083051 JBJIRNRDSJSOEL-UHFFFAOYSA-N 323.146 2.198 0 40 DEAB NC(=O)CNC(=O)c1cccc(Oc2ccc(Cl)cc2)c1 97046768 VWJWUUUKCUGARX-UHFFFAOYSA-N 304.733 2.347 0 40 DEAB O=C(Nc1cn[nH]c1)N(CCCO)[C@@H]1CCc2ccccc21 72285551 ANEVHLWOIRZJGX-OAHLLOKOSA-N 300.362 2.314 0 40 DEAB CCc1nn(C)c(OC)c1CNC(=O)Nc1cccc(C)n1 97142768 NZGLZUMOERVTRC-UHFFFAOYSA-N 303.366 2.016 0 40 DEAB O=C(CSC(F)(F)F)Nc1cc2c(=O)[nH]cnc2cc1F 97109391 SXRBGFHIMRVIFM-UHFFFAOYSA-N 321.255 2.254 0 40 DEAB CCOc1ccccc1C(=O)NCc1ccc2[nH]c(=O)[nH]c2c1 97107572 RODXNVNLSWCLMX-UHFFFAOYSA-N 311.341 2.185 0 40 DEAB CCC[C@@H](C)NC(=O)[C@H]1CCCN(CC(OCC)OCC)C1 95941562 KOXMGODERWQAFH-CABCVRRESA-N 314.470 2.402 0 40 DEAB Cc1nc(Cn2cnc3sc4c(c3c2=O)CCCCC4)no1 95349509 DRVKIPXVXGPTSI-UHFFFAOYSA-N 316.386 2.467 0 40 DEAB O=C(CCc1ccncc1)Nc1c[nH]cc(Br)c1=O 89991242 VSCWWNMUCLURTM-UHFFFAOYSA-N 322.162 2.104 0 40 DEAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)N1CCNC1=O 29995036 GZEXQYCWBDMMCT-SNVBAGLBSA-N 301.371 2.267 0 40 DEAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC1CCN(C[C@@H]2CCOC2)CC1 110603602 DMOBZOAUYMWGLK-QAETUUGQSA-N 320.477 2.430 0 40 DEAB CCC[C@H](C)NS(=O)(=O)c1ccc(C)c(C(=O)NCC)c1 408610157 VAZHLTWAXYQRRG-LBPRGKRZSA-N 312.435 2.212 0 40 DEAB Cn1nc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C(=O)O 536957612 CGYIUZKXIADILC-UHFFFAOYSA-N 309.366 2.233 0 40 DEAB COc1ccc([C@H]2CC(=O)Oc3c2oc(C)cc3=O)cc1O 1547139399 PGTLKBVMOVXJQT-SNVBAGLBSA-N 302.282 2.103 0 40 DEAB biogenic CC(=O)c1ccccc1C(=O)NCCNC(=O)c1cccc(C)c1 73016421 FELHQAZFLLASFO-UHFFFAOYSA-N 324.380 2.357 0 40 DEAB COc1ccc(C(=O)N2[C@H](C(=O)O)COC23CCCCC3)cc1 71979689 OWWLEBXVHCDYTM-AWEZNQCLSA-N 319.357 2.281 0 40 DEAB O=C(Nc1ccc2cn[nH]c2c1)c1cnn(-c2ccccc2)n1 42383559 ASVDNVSBEVPXGB-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB CO[C@@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 225643388 VLFIXCFZWASZDL-QGZVFWFLSA-N 306.406 2.381 0 40 DEAB O=C(N[C@@H]1CC=CCC1)[C@H]1CN(Cc2ccccc2)CCO1 195530775 ASDMXUBBPBYQPQ-IAGOWNOFSA-N 300.402 2.112 0 40 DEAB CC[C@@]1(C)CN(C(=O)NCCCc2c(C)noc2C)CCO1 195574873 XWDSPYGNWXCYMK-INIZCTEOSA-N 309.410 2.435 0 40 DEAB COc1ccc([C@@H](NC(=O)Cc2ccc(C)o2)C(=O)O)cc1F 576945566 MDIHJCCATYBZLV-OAHLLOKOSA-N 321.304 2.220 0 40 DEAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)NC1CC1 225737813 KBVQEZWBHNKRTD-UHFFFAOYSA-N 321.174 2.043 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 85878946 FFORNRAEJFGTON-NSHDSACASA-N 323.304 2.231 0 40 DEAB biogenic Cn1cccc1-c1noc(CNC(=O)c2cc3ccccn3c2)n1 225766454 QOFAVALUPKLOHV-UHFFFAOYSA-N 321.340 2.258 0 40 DEAB COC1(C(=O)Nc2ccc(OCC(=O)O)cc2)CCCCC1 225628003 VCQZFPWGKVMQSY-UHFFFAOYSA-N 307.346 2.438 0 40 DEAB O=C(NCCNc1cccc(Br)c1)c1cc[nH]n1 96499564 SZXNETSIHHPBED-UHFFFAOYSA-N 309.167 2.014 0 40 DEAB COC(=O)[C@@H]1c2ccc(O)cc2CCN1C(=O)OC(C)(C)C 145671022 YGXXHJJSBSREHZ-ZDUSSCGKSA-N 307.346 2.400 0 40 DEAB Cc1cncc(C(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)c1 96461211 IWGICSHCGMDSRX-GJZGRUSLSA-N 305.422 2.009 0 40 DEAB C[C@H](NC(=O)N1CCC(CCCN(C)C)CC1)[C@@H]1CCOC1 96487633 CFIBVJKOKVVGAC-GOEBONIOSA-N 311.470 2.175 0 40 DEAB O=C(O)CCNC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 238187569 RULDSIJJUPSLDW-LBPRGKRZSA-N 316.357 2.186 0 40 DEAB c1cncc(CN2CCC3(CC2)CC(N2CCCC2)=NO3)c1 96240292 WBDIPTNFLUJDQC-UHFFFAOYSA-N 300.406 2.246 0 40 DEAB O=C(Nc1cn[nH]c1)[C@H]1CCCN1c1ncnc2sccc12 96403932 GEBVHORRSDKREL-LLVKDONJSA-N 314.374 2.022 0 40 DEAB O=C(CN1CCC[C@@H]1CCCO)N1CCC[C@H](C(F)(F)F)C1 96424261 PAUIMHAOTLDLHI-QWHCGFSZSA-N 322.371 2.024 0 40 DEAB Cc1ccc2nc3n(c2c1)[C@@H](CNC(=O)NC(C)C)COC3 96112438 AJXWRSFLPABJEE-LBPRGKRZSA-N 302.378 2.124 0 40 DEAB biogenic,in-vitro COc1ccc(-c2csc(N3CCN(C)CC3)n2)cc1N 95097247 UQUBMLLJDRAFAC-UHFFFAOYSA-N 304.419 2.153 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)NCCc2nccs2)c1C 95473202 IONZUHGWARGQAK-UHFFFAOYSA-N 321.402 2.237 0 40 DEAB C[C@@H](NC(=O)N[C@H]1CCN(C)C1=O)c1csc2ccccc12 96415465 RGQILXRYIMZITF-MFKMUULPSA-N 317.414 2.492 0 40 DEAB C[C@@H]1CCCCN1c1ccc(S(N)(=O)=O)c2cccnc12 95407705 KDZNCHJYRCYYFW-LLVKDONJSA-N 305.403 2.261 0 40 DEAB Cc1cccc(N2C[C@]3(CCN(Cc4nccn4C)C3)CC2=O)c1 96238572 RYILRTXNXLVZMS-LJQANCHMSA-N 324.428 2.358 0 40 DEAB Cc1nnc(NC(=O)NCc2ccnc(N3CCCC3)c2)s1 43408300 HYEQIWSTJNTDGS-UHFFFAOYSA-N 318.406 2.163 0 40 DEAB Cc1cncc([C@@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 257204917 AWWGENSQJJHPKK-CYBMUJFWSA-N 322.372 2.076 0 40 DEAB O=C(N1CCc2ncc(-c3cccnc3)n2CC1)C1(F)CCC1 585111273 MEUJLTLLKTZKGL-UHFFFAOYSA-N 314.364 2.222 0 40 DEAB CCn1cc(CN2CC[C@@](O)(COc3cccc(C)c3)C2)cn1 585269475 VTCQODCAXCHYCT-SFHVURJKSA-N 315.417 2.227 0 40 DEAB Fc1ccc(N2CC[C@@H](CNC(=S)NC3CC3)C2)cc1F 66011946 HVTMTRNJABIKBV-JTQLQIEISA-N 311.401 2.418 0 40 DEAB C[C@H]1CCN(C(=O)CN2CCC[C@H](O)C2)c2ccccc2S1 44867496 ULTRYUGMBRTMPF-KBPBESRZSA-N 320.458 2.361 0 40 DEAB Cc1ccc(NC(=O)c2ccc[nH]2)cc1N1CCCS1(=O)=O 76019604 UIWVJRIWEGIKDW-UHFFFAOYSA-N 319.386 2.115 0 40 DEAB COCCN1CCC(NC(=O)Cc2ccc(Cl)cc2)CC1 85467983 SQLGTKIAUSZPNS-UHFFFAOYSA-N 310.825 2.110 0 40 DEAB CCCCCC[C@H](Sc1nnc(O)nc1O)C(=O)OCC 17110038 WDPGGLBATCFSSW-VIFPVBQESA-N 315.395 2.277 0 40 DEAB CN1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C1=O 18179900 JJOJNMDLZMOZAF-JYJNAYRXSA-N 308.337 2.163 0 40 DEAB Cn1cc(-c2cncn2CCc2ccc3c(c2)OCCO3)cn1 19719522 RVXYIUMEYXYSMQ-UHFFFAOYSA-N 310.357 2.298 0 40 DEAB C[C@H]1CNCC[C@@]1(O)Cc1cc(F)cc(Br)c1 169205956 YEGMEWWFCQQOSG-TVQRCGJNSA-N 302.187 2.491 0 40 DEAB CC(C)c1cc(C(=O)N2CCC[C@H]3NCCC[C@@]32C)n(C)n1 1848353211 BSCRVGDADHJINZ-WBVHZDCISA-N 304.438 2.290 0 40 DEAB c1ccc(N2CC[C@@H](CNC[C@H]3CNc4ccnn4C3)C2)cc1 106670508 NVNAANUVDAYOEL-HOTGVXAUSA-N 311.433 2.041 0 40 DEAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1nncs1 21215502 YPMOPFKJKWNDGT-UHFFFAOYSA-N 305.359 2.457 0 40 DEAB COc1ccccc1C(=O)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1889125145 PSRCQVCKEAXBKG-OKILXGFUSA-N 300.402 2.252 0 40 DEAB O=C([C@@H]1CCOC1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238920919 TVYDTJNYRUQWHF-GHMZBOCLSA-N 319.386 2.151 0 40 DEAB CN1C[C@@]2(CCN(Cc3ccccc3Cl)C2)COCC1=O 2037983747 DMOAEKRHOJDIBV-MRXNPFEDSA-N 308.809 2.021 0 40 DEAB CCN1C(=O)C[C@@H](N2CCC(c3ccc(F)cc3)CC2)C1=O 4784487 CCANMQPYIPZYTG-OAHLLOKOSA-N 304.365 2.153 0 40 DEAB Cc1nnc(NC(=O)NC[C@H](C2CCCCC2)N(C)C)s1 40103486 QJCREYVPZIDFFN-GFCCVEGCSA-N 311.455 2.479 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1/C=C/c1ccccc1 20112975 YHXCGSKXQOACAT-XVOYVPSKSA-N 314.381 2.450 0 40 DEAB biogenic COc1ccc([C@H]2Nc3ccccc3C(=O)N2NC(C)=O)cc1 52667 NIUXAIOEOXQFOK-INIZCTEOSA-N 311.341 2.313 0 40 DEAB 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2.171 0 40 DEAB CCc1nnc(NC(=O)c2cc(OC)c(OC)cc2OC)s1 365311 OFVUJIHUULZHSB-UHFFFAOYSA-N 323.374 2.379 0 40 DEAB CCn1c(S)nc2cc(C(=O)NCC3CCC3)ccc2c1=O 103154731 LFYPIGWHOKBFHK-UHFFFAOYSA-N 317.414 2.235 0 40 DEAB Cc1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(OC(F)F)c1 103155211 YGPJYSBLOZEZIL-AAXDQBDMSA-N 323.295 2.263 0 40 DEAB COc1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 23078577 XGKTZZRWWVRUPY-DOMZBBRYSA-N 306.387 2.088 0 40 DEAB CC(C)c1ccc(NC(=O)CSc2nnc(N)n2C)cc1 42343132 DHZHKLLLACKHGB-UHFFFAOYSA-N 305.407 2.252 0 40 DEAB Cc1ccc(C(=O)N2CCC(c3nc(C)no3)CC2)c(O)c1 54135416 DYKQLGSESDVGNO-UHFFFAOYSA-N 301.346 2.412 0 40 DEAB COc1cccc(N2CCN(C(=S)NCC(C)C)CC2)c1 414905 NMAZZYSLIFZOAI-UHFFFAOYSA-N 307.463 2.348 0 40 DEAB CC(C)[C@@H](NC1CCOCC1)C(=O)N[C@@H](C)c1ccncc1 95979841 IAFXHIYNLPFGIM-XJKSGUPXSA-N 305.422 2.052 0 40 DEAB O=c1c(-c2ccnn2-c2ccc(F)cc2)cnc2n1CCS2 1393630 OJLBKBKQJHXDMQ-UHFFFAOYSA-N 314.345 2.341 0 40 DEAB C[C@H]1[C@H]2[C@@H](N(C)C(=O)N1C)N(C)C(=O)N(C)[C@H]2c1ccccc1 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CC(C)N1CC[C@H](CNC(=O)COc2ccc(F)cc2F)C1 58308940 RSKSKAGPYQRAOX-GFCCVEGCSA-N 312.360 2.190 0 40 DEAB CN(CC(N)=O)[C@@H]1CCSc2ccc(Br)cc21 58429985 JPVTUVXZBJVBAK-SNVBAGLBSA-N 315.236 2.403 0 40 DEAB CNC(=O)c1cccc(N[C@@H](C)C(=O)N2CCC(C)CC2)c1 36397400 XOLQMXDESTYWPU-ZDUSSCGKSA-N 303.406 2.105 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)o1 11001721 QKPVAXXXKYHDKB-LBPRGKRZSA-N 305.355 2.237 0 40 DEAB c1cc(CNc2ncnc3ncccc23)cc(Cn2cncn2)c1 95434848 BTGGDNKGAKKOGY-UHFFFAOYSA-N 317.356 2.277 0 40 DEAB COC(=O)CCCCCCNC(=O)c1ccc2c(c1)OCCO2 29436264 ULHFXBZJWRAGJR-UHFFFAOYSA-N 321.373 2.311 0 40 DEAB CSc1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1 12787463 UXKXIABNMLNWFM-UHFFFAOYSA-N 314.414 2.307 0 40 DEAB O=C(c1cc2ccccn2c1)N1CCCN(c2ncccn2)CC1 73352503 VXURIDRNLUENGK-UHFFFAOYSA-N 321.384 2.082 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 48332520 OGKRKPVLICCPFY-BLLLJJGKSA-N 313.353 2.499 0 40 DEAB Cc1csc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)n1 12889164 BIBHSKROSZGXCA-UHFFFAOYSA-N 301.371 2.266 0 40 DEAB Cc1ccc(C(=O)c2ccccc2C(=O)O[C@H](C)C(N)=O)cc1 3488213 OJNBHTFRWRDVLQ-GFCCVEGCSA-N 311.337 2.257 0 40 DEAB O=C(NCCn1ccnn1)Nc1ccc(OC2CCCC2)cc1 96007933 FQQCPPCJYSKQJE-UHFFFAOYSA-N 315.377 2.421 0 40 DEAB Cc1ccccc1C1(C(=O)N[C@@H](C)C[C@H](C)O)CCOCC1 96009067 DFCBZYUNHNLYCE-GJZGRUSLSA-N 305.418 2.319 0 40 DEAB CCC(=O)N[C@@H](CCSC)C(=O)Nc1nc(C)c(C)s1 48609274 WYJJTQWPKROXHI-JTQLQIEISA-N 315.464 2.346 0 40 DEAB Cn1cc(CCNCc2cc(Cl)c3c(c2)OCCO3)cn1 48784527 PEUNIKKYJDZZOP-UHFFFAOYSA-N 307.781 2.177 0 40 DEAB O=C(NCc1cccnc1)c1ccc(=O)n(-c2ccccc2)c1 96192033 CHNSVLWKKISMDN-UHFFFAOYSA-N 305.337 2.163 0 40 DEAB COc1cc2c(cc1CNC(=O)c1ccco1)OCCCO2 64986975 MHDKDGICONCXJT-UHFFFAOYSA-N 303.314 2.380 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccccn1)C(=O)O 4222923 RCKWNICGDIAROK-INIZCTEOSA-N 306.362 2.478 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccccc2C)n[nH]1 65415689 ROHDVNIQDIJULD-UHFFFAOYSA-N 301.346 2.067 0 40 DEAB O=C(NCCc1ccccn1)c1n[nH]c2c1COc1ccccc1-2 96231804 PGCBDXOXXVOMTH-UHFFFAOYSA-N 320.352 2.337 0 40 DEAB O=C(Nc1nccs1)[C@H]1CC(=O)N(CCc2ccccc2)C1 6652767 RGTJGVJJWKJDNE-ZDUSSCGKSA-N 315.398 2.173 0 40 DEAB CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)Nc2cccnn2)C1 119771765 CPNKGMAHHIDWBU-LLVKDONJSA-N 306.366 2.062 0 40 DEAB C[C@H](NC(=O)COc1ccccc1Cl)c1nnc2n1CCC2 66966493 DNLPWPZZJUSHBI-JTQLQIEISA-N 320.780 2.134 0 40 DEAB Clc1nc(NCc2ccc3c(c2)OCO3)c2nc[nH]c2n1 9530858 BSHOPXQDOLJMSM-UHFFFAOYSA-N 303.709 2.347 0 40 DEAB COc1c(C)cnc(CN2CCN(C[C@@H]3CCCO3)CC2)c1C 67226554 RUCZHZYFLDDGMK-INIZCTEOSA-N 319.449 2.004 0 40 DEAB CCOC1CCN(C(=O)c2c[nH]c3ccccc3c2=O)CC1 71821450 LATWZKUYSGOXHH-UHFFFAOYSA-N 300.358 2.169 0 40 DEAB CCOc1ccc(C(=O)N[C@@H](C(=O)N2CCC2)C(C)C)cc1 7986447 UBIAVZJKQQCVCC-OAHLLOKOSA-N 304.390 2.072 0 40 DEAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)NC(C)(C)C 16448762 BXPVYTFTLUORNZ-NSHDSACASA-N 319.434 2.117 0 40 DEAB Cc1ccccc1[C@@H](C)CC(=O)N1CCC(NC(N)=O)CC1 81780279 GASOWRUJROFNOX-ZDUSSCGKSA-N 303.406 2.148 0 40 DEAB O=C(COC[C@H]1CCOC1)N(Cc1ccc(F)cc1)C1CC1 70005279 ZOKRPNYKMIKPHY-AWEZNQCLSA-N 307.365 2.370 0 40 DEAB C[C@@H](NC(=O)NCc1cccc(F)c1)C(=O)N1CCCC[C@H]1C 69369879 AFEGHSYPEPLVRM-CHWSQXEVSA-N 321.396 2.414 0 40 DEAB COc1ccccc1NC(=O)N1CCC[C@@H](C2OCCO2)C1 69369481 OGWJGQZFEQDZKN-GFCCVEGCSA-N 306.362 2.312 0 40 DEAB CN(C)c1ccc(NS(=O)(=O)c2cc(F)ccc2F)cn1 69587843 SWRRNIQPZNSTHF-UHFFFAOYSA-N 313.329 2.227 0 40 DEAB COc1ccccc1N1CCC[C@@H](N[C@H]2CCSC2)C1=O 95968169 QWZJWVIAXGSTMV-QWHCGFSZSA-N 306.431 2.286 0 40 DEAB O=S(=O)(NC1CC1)c1cccc(NCc2cscn2)c1 97095458 AEPPSKXQSSKSAI-UHFFFAOYSA-N 309.416 2.196 0 40 DEAB COc1ccc(CCC(=O)N[C@@H]2CCc3nccn3C2)cc1F 72278611 ZVJWBZPJQUYTKT-CYBMUJFWSA-N 317.364 2.095 0 40 DEAB CC(C)NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 8707934 VPOGKUCZYGMICQ-CYBMUJFWSA-N 309.841 2.375 0 40 DEAB CCOC(=O)Cc1ccccc1NC(=O)CCc1cnn(C)c1 71046864 DIKXBHUSKXCWQG-UHFFFAOYSA-N 315.373 2.097 0 40 DEAB C[C@H](O)C(=O)NC[C@@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 97163963 TXPZURBVIFOYMD-GUYCJALGSA-N 324.380 2.344 0 40 DEAB CNC(=O)c1cccc(CCNC(=O)N2C[C@H](C)CC[C@H]2C)c1 72304221 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CCCCNC(=O)CSc1nccn1Cc1ccccn1 79037966 ROCATQJFUNPKGI-UHFFFAOYSA-N 304.419 2.335 0 40 DEAB C[C@H](C(=O)NC[C@@H](NC(=O)[C@H](C)C1CC1)C(F)(F)F)C1CC1 567580176 AXASMSAWTHWJBI-YGOYTEALSA-N 320.355 2.242 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cccc2ncccc12 79042066 OXILRDAAYLSWQQ-LBPRGKRZSA-N 320.414 2.130 0 40 DEAB COC[C@H](C)NC(=O)CN(C)c1nc2c(F)cccc2s1 70973537 ZXWYOUPVZPUYES-VIFPVBQESA-N 311.382 2.023 0 40 DEAB COc1ccc(CNC[C@@H]2CC(=O)N(C3CC3)C2)c(Cl)c1 563263285 YWLFVGCVDDMGDL-NSHDSACASA-N 308.809 2.449 0 40 DEAB Cc1cccc2nc(CN[C@H]3CC(C)(C)OC3(C)C)cc(=O)n12 132649773 LASWVWUZVQYMKR-AWEZNQCLSA-N 315.417 2.439 0 40 DEAB C[C@@H](CN(C)C(=O)c1csc2ccccc12)c1nnn[nH]1 183426587 BMLTXTQQVAYXEB-VIFPVBQESA-N 301.375 2.290 0 40 DEAB CCS(=O)(=O)c1ccc(N2CC[C@@H]3OCCC[C@@H]3C2)cc1 195576241 HIGJINHHZWKGBF-CJNGLKHVSA-N 309.431 2.486 0 40 DEAB Cc1cccc([C@@H](NC(=O)[C@@H]2CC23CCOCC3)C(=O)O)c1C 570138302 CWSYTCVXISKGFT-LSDHHAIUSA-N 317.385 2.362 0 40 DEAB O=C(CCc1ccccc1)N1CCC[C@H](Oc2cccnn2)C1 225453484 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C[C@H](Nc1cccc(CN2CCCCC2=O)c1)C(=O)NC1CC1 96447858 NNGYQJRASXSFHD-ZDUSSCGKSA-N 315.417 2.278 0 40 DEAB Cc1nnc(O)c(C(=O)NCCOC2CCCCCC2)c1C 96411269 MCMAZLSAJABZRK-UHFFFAOYSA-N 307.394 2.268 0 40 DEAB O=C1OCCN1CCN1CCn2cccc2[C@@H]1c1ccccc1 96483270 YKHKSLLMMRWNFQ-KRWDZBQOSA-N 311.385 2.345 0 40 DEAB O=C(Cc1cccs1)N1C[C@@H]2COC[C@]2(COCC2CC2)C1 96108731 SVZPEACSJKSAPY-RHSMWYFYSA-N 321.442 2.192 0 40 DEAB CCc1cnc(CCNC(=O)Nc2ccc(OC)nc2)s1 96434012 UVUICKQGSUQSIY-UHFFFAOYSA-N 306.391 2.473 0 40 DEAB c1cc(CO[C@@H]2CCOC3(C2)CN(C2CCOCC2)C3)ccn1 247917369 BLNSBGAYAGCGSD-QGZVFWFLSA-N 318.417 2.011 0 40 DEAB Cc1ccnc(Br)c1S(=O)(=O)C(F)(F)F 242701502 WFZUQAZMLOQRCZ-UHFFFAOYSA-N 304.087 2.446 0 40 DEAB CC(C)N1CCC[C@H](Cc2cc(C(=O)N(C)C)ncn2)CC1 257221708 DQFANYUIMXQIIK-AWEZNQCLSA-N 304.438 2.231 0 40 DEAB CCCn1cc(-c2cncc([C@@H]3CCCN(C(C)=O)C3)n2)cn1 257278103 OAUIZHWKMPVNLE-CQSZACIVSA-N 313.405 2.476 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCNC[C@H]1c1ccccc1 257304589 SMINOTYMMNGSCZ-KRWDZBQOSA-N 313.401 2.397 0 40 DEAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]3CNCC[C@H]32)n(C)n1 257216195 CTNILOCKKIZWML-GOEBONIOSA-N 318.465 2.223 0 40 DEAB C[C@]1(c2ncc(CNC(=O)c3cncs3)cn2)CCCCO1 257238733 HMHIHNASECVTEV-OAHLLOKOSA-N 318.402 2.279 0 40 DEAB CCCC[C@@H](C)C(=O)NS(=O)(=O)c1sccc1OC 252490998 LHXGKZOUXXKEPD-SECBINFHSA-N 305.421 2.388 0 40 DEAB COC(=O)[C@H]1CCc2nnc(Cn3ccc4ccccc43)n2C1 601044512 OYVQLFYWGJJHKF-ZDUSSCGKSA-N 310.357 2.017 0 40 DEAB Cn1nc(CNC(=O)c2cnc3ccccc3n2)cc1C1CC1 96099310 MDIMLFWYIFLQCJ-UHFFFAOYSA-N 307.357 2.171 0 40 DEAB O=C(NC[C@@H](O)Cc1ccccc1)c1c[nH]nc1-c1ccccc1 71856901 DYLOOMAHFCCZNY-INIZCTEOSA-N 321.380 2.410 0 40 DEAB CNC(=O)[C@]1(CC(F)F)CC[C@@H](NC(=O)OC(C)(C)C)C1 1776011154 YFRNHYXXKCLKQO-YMTOWFKASA-N 306.353 2.451 0 40 DEAB COC(=O)c1cccc(C(=O)N(C)Cc2c(C)noc2C)c1 52640473 BJGMXZUDFKOCGZ-UHFFFAOYSA-N 302.330 2.350 0 40 DEAB CCNC(=O)c1cccc(C)c1OCc1ccc(C(N)=O)cc1 60565046 IRAHZGXDNNQJMB-UHFFFAOYSA-N 312.369 2.423 0 40 DEAB CCc1n[nH]c(SCCOc2cccc(C(=O)OC)c2)n1 58136380 GGSGKYNDEOSOJL-UHFFFAOYSA-N 307.375 2.325 0 40 DEAB COc1ccc(OC)c(C2=NO[C@@H](C(=O)NC(C)(C)C)C2)c1 5030716 IURWNHIPBKYKKA-CQSZACIVSA-N 306.362 2.112 0 40 DEAB COC(=O)c1ccn(-c2nc(C3CC3)cc(C(F)(F)F)n2)n1 12395895 HUIJIPIDXMSEBV-UHFFFAOYSA-N 312.251 2.345 0 40 DEAB COc1ccc(OCC(=O)NCCN(C)c2ccccc2)cc1 12611701 CQOFELRHCNIUGI-UHFFFAOYSA-N 314.385 2.327 0 40 DEAB COc1ccc2c(=O)c(NC(=O)NCc3ccco3)c[nH]c2c1 13566006 XSRIACYLIVUGEF-UHFFFAOYSA-N 313.313 2.451 0 40 DEAB CCCOC(=O)CCCc1nc2cccc3nc(C)nc(n1)-n-3-2 17108571 XPOYSIFPSLVGEQ-UHFFFAOYSA-N 313.361 2.184 0 40 DEAB CCn1c(CN2CC[C@H]3NC(=O)CCC[C@H]32)nc2ccccc21 19713256 ODHCIHXKJASYLM-HUUCEWRRSA-N 312.417 2.299 0 40 DEAB COc1ccccc1N1CCN(Cc2ccc(C(=O)O)o2)CC1 11852054 MRXPPHUZEZEHAG-UHFFFAOYSA-N 316.357 2.309 0 40 DEAB Cc1ccccc1OCC(=O)N[C@@H]1CC(=O)N(c2ccccc2)C1 5193364 OPJCVXIAFWHNHM-OAHLLOKOSA-N 324.380 2.296 0 40 DEAB Cc1cnc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)s1 40497545 ARQWZGFYAIIGAR-NSHDSACASA-N 303.391 2.097 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NC[C@H](C)N1CCOCC1 40525101 QTOINYYAYXDVPA-NSHDSACASA-N 311.451 2.025 0 40 DEAB CN(C)C(=O)N1CCN(Cc2coc(-c3cccs3)n2)CC1 40520422 NFSCEUMKSDXEKF-UHFFFAOYSA-N 320.418 2.202 0 40 DEAB Cn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O 223677 LPZMAXDOLFVYSP-UHFFFAOYSA-N 313.401 2.315 0 40 DEAB aggregator C[C@@H]1CN(C(=O)CN2C(=O)c3cccc4cccc2c34)C[C@@H](C)O1 20917276 BFOAGKXWLAHWSL-CHWSQXEVSA-N 324.380 2.436 0 40 DEAB CC(=O)NCCNC(=O)c1ccc(C2SCCCS2)cc1 22757938 YWHFUQVTFIWJDK-UHFFFAOYSA-N 324.471 2.421 0 40 DEAB COc1ccc(C(=O)Cc2nc3ccsc3c(=O)[nH]2)cc1 53847834 QTCCLJOQORPCRL-UHFFFAOYSA-N 300.339 2.419 0 40 DEAB NC(=O)c1ccc(C(=O)OCCOc2ccc(F)cc2)cc1 23044906 FPGAEZHHWNMSRR-UHFFFAOYSA-N 303.289 2.160 0 40 DEAB O=C(NCCNC(=O)c1ccccc1)Nc1ccccc1F 23053337 MXJXPJVFINODLK-UHFFFAOYSA-N 301.321 2.377 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)c1[nH]nc(C2CC2)c1Cl 79074751 AXASIMHICUIDAH-FQEVSTJZSA-N 317.842 2.218 0 40 DEAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)CCn1cncn1 79585248 VQFNYVKCLQCMLD-ZBEGNZNMSA-N 302.353 2.247 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)[C@H]1CC(=O)Nc2ccccc21 24992194 FEXQWEAPRYLZRH-WFASDCNBSA-N 324.384 2.040 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 44489008 TZHWINPWKLOCTP-UHFFFAOYSA-N 309.410 2.443 0 40 DEAB C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCOC(C)(C)C 57843657 VLMLQUAVFBFUKJ-LBPRGKRZSA-N 314.451 2.142 0 40 DEAB Cn1ccc(C(=O)n2cccc/c2=N\C2CCCCC2)cc1=O 44612017 IIBAHILJICMNPX-KNTRCKAVSA-N 311.385 2.109 0 40 DEAB C[C@H]1CCCC[C@H]1OCCN1Cc2ccccc2C[C@H]1C(N)=O 58147020 VLIGXBQVCUIFNE-JCGIZDLHSA-N 316.445 2.494 0 40 DEAB COc1cn(-c2ccccc2)nc1C(=O)N1CCOC(C)(C)C1 27639821 XAJHVKAMOPTLHV-UHFFFAOYSA-N 315.373 2.132 0 40 DEAB O=C(Nc1nc[nH]n1)[C@H]1C[C@@H]1c1ccc(Br)cc1 58202828 NUVOCUCZODCAQA-ZJUUUORDSA-N 307.151 2.309 0 40 DEAB O=c1ccc(-c2nnco2)cn1Cc1ccn(-c2ccccc2)n1 58280472 USPBYMMHMYOGNF-UHFFFAOYSA-N 319.324 2.132 0 40 DEAB CN(C)c1ccc(C(=O)NCCC(=O)N2CCCCC2)cc1F 58356745 AMTZDVNNDSALQH-UHFFFAOYSA-N 321.396 2.024 0 40 DEAB C[C@H]1CCCCN1S(=O)(=O)NCCc1ccc(F)cc1 27939304 JZNBBXKBCCTFIM-LBPRGKRZSA-N 300.399 2.077 0 40 DEAB CC1=C(C)[C@@H]2[C@@H]3C=C[C@@H]([C@@H]12)n1c(=O)n(-c2ccccc2)c(=O)n13 101045584 YLYIMLUPYJEKIP-CAOSSQGBSA-N 307.353 2.049 0 40 DEAB Cc1cc(S(=O)(=O)N2CCC(C)CC2)sc1C(=O)O 37238502 BTEORHOJBLGXRM-UHFFFAOYSA-N 303.405 2.175 0 40 DEAB C[C@@H]1Cc2ccccc2N1Cc1ccnc(N2CCOCC2)n1 105742367 MNSCWDBYMWQGAW-CQSZACIVSA-N 310.401 2.264 0 40 DEAB O=C(CCS(=O)(=O)c1ccccc1F)NCc1ccccc1 12685477 BOSJGWUVHDZUBD-UHFFFAOYSA-N 321.373 2.306 0 40 DEAB NC(=O)CN(Cc1cnn(Cc2ccccc2)c1)Cc1ccco1 48276953 OMGIFDDGANYSPH-UHFFFAOYSA-N 324.384 2.012 0 40 DEAB O=C(Cn1cnc2ccccc2c1=O)N(Cc1ccco1)C1CC1 12900895 FYGTUQBIBSRWMM-UHFFFAOYSA-N 323.352 2.181 0 40 DEAB C[C@@H]1CCCN(c2nc3nonc3nc2N2CCC[C@@H](C)C2)C1 13151806 MLRJYIIBDKQVBE-VXGBXAGGSA-N 316.409 2.485 0 40 DEAB CCCOc1cccc(C(=O)NCCNC(=O)c2ccco2)c1 5015337 PJZQZGUSPZEJNV-UHFFFAOYSA-N 316.357 2.228 0 40 DEAB O=S(=O)(NCc1cccnc1)c1cc(Cl)cc2c1OCC2 96009858 HNFOUZZMVGTPFL-UHFFFAOYSA-N 324.789 2.148 0 40 DEAB Cc1ccccc1C1(CNC(=O)[C@H](C)S(=O)(=O)C(C)C)CC1 65587569 WVSIACSLTVUMFO-AWEZNQCLSA-N 323.458 2.355 0 40 DEAB COC(=O)c1cccc(C(=O)N2CCC(N3CCCC3)CC2)c1 65592806 ZPDGHOZIQGZAFT-UHFFFAOYSA-N 316.401 2.174 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)CNC(=O)c1cccs1 6429817 WYEIJQAAFLHGLF-UHFFFAOYSA-N 306.362 2.276 0 40 DEAB CC(C)CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 5439228 REQDNCVBZHXBJG-UHFFFAOYSA-N 310.419 2.002 0 40 DEAB O=C(CNC(=O)Cc1cccc2ccccc12)NCC(F)(F)F 6587505 WABDAZPOTSTFTD-UHFFFAOYSA-N 324.302 2.177 0 40 DEAB CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)cc1 6623184 XLTKDQVUHCKLKN-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB CCCN(CC1CC1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 71799336 XYRFYKIBLYMBGD-INIZCTEOSA-N 304.438 2.206 0 40 DEAB O=C(NC[C@@H]1CCCO1)NC[C@H]1CCO[C@@H]1c1ccccc1 80566329 PSZSOWFGAPFIOV-OWCLPIDISA-N 304.390 2.242 0 40 DEAB CC(C)=CC(=O)OCC(=O)NCCc1c[nH]c2ccccc12 8184206 XALDGOZILTXTIY-UHFFFAOYSA-N 300.358 2.336 0 40 DEAB COc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)ccc1Cl 16810145 YLURSZUUTURFGV-AOOOYVTPSA-N 319.810 2.147 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)C(C)(C)c2ccccc2F)CC1 71881785 QDXBDUWYPMGZBB-AWEZNQCLSA-N 322.424 2.018 0 40 DEAB CC1CCN(C[C@H](O)Cn2cnc3cc(F)c(F)cc32)CC1 71825082 UINHBHRYWCRKGF-LBPRGKRZSA-N 309.360 2.407 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCO2 69510942 YVHSYGPQHUVDTN-GJZGRUSLSA-N 316.401 2.157 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCCC[C@@H]1CC(N)=O 69566648 KDPYPGWVLWEPQI-WCQYABFASA-N 324.808 2.364 0 40 DEAB C[C@H](N[C@H](C)[C@H](C)n1cccn1)C(=O)NCCc1cccs1 69582891 NWNYMNPDCYEOPJ-RDBSUJKOSA-N 320.462 2.231 0 40 DEAB C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(F)(F)C(F)F)C1=O 69780505 JSDPUPVRQXPWLY-GFCCVEGCSA-N 322.233 2.493 0 40 DEAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 69738832 DAJPPLPQWCTPGV-ZDUSSCGKSA-N 319.430 2.420 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)[C@H]1C[C@H]1c1ccco1)C2 69738908 UALUDPAPQKIHPC-NEPJUHHUSA-N 300.362 2.140 0 40 DEAB CC[C@H]1CN(c2ncnc3ccccc23)CCN1CCOC 69739254 BYUNIKOSTGRXBN-AWEZNQCLSA-N 300.406 2.177 0 40 DEAB C[C@@H]1CN(C(=O)[C@@H]2CCCCN2Cc2cccnc2)C[C@@H](C)O1 69741077 IVVXRIWYKCVZGV-INMHGKMJSA-N 317.433 2.072 0 40 DEAB Cn1cc([C@H]2CCCN2Cc2cnn(-c3ccccc3)n2)cn1 69819730 MHLBSRHKIIYNMJ-QGZVFWFLSA-N 308.389 2.338 0 40 DEAB COc1ccccc1CNC(=O)CSc1c(C)n[nH]c1C 8748935 NKFVJFILLJYGPT-UHFFFAOYSA-N 305.403 2.444 0 40 DEAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccncc2N)cc1 95451092 OGZFIQIJCXRMEC-NSHDSACASA-N 313.357 2.410 0 40 DEAB CCn1cc(C(=O)Nc2cccc(N3CCCNC3=O)c2)cn1 72303017 STZBWHDGWDZODY-UHFFFAOYSA-N 313.361 2.075 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NCc1cccc(CO)c1 95433014 FXMYWERAIPLICM-UHFFFAOYSA-N 309.362 2.105 0 40 DEAB C[C@H](O)[C@@H]1CCCCN1C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 95401458 LWAILVDZLBLOEM-KKUMJFAQSA-N 312.454 2.479 0 40 DEAB c1ncn(-c2ccc(CNCCc3cn4c(n3)CCCC4)cc2)n1 97731762 HHEQFEWZAPMZSP-UHFFFAOYSA-N 322.416 2.132 0 40 DEAB Cc1cc(N2CCCCC[C@@H]2c2noc(C)n2)n2ncnc2n1 95999772 ITOFHCMKXBMFJB-GFCCVEGCSA-N 313.365 2.246 0 40 DEAB CC[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)N(C)C 95977830 SCBRHFFYTSRXNG-GFCCVEGCSA-N 320.418 2.492 0 40 DEAB COc1ccc2c(c1)OC[C@H](N[C@H](C)CCn1cccn1)C2 95996921 DXRGWUANHMGYTQ-UKRRQHHQSA-N 301.390 2.264 0 40 DEAB Cc1occc1C(=O)Nc1ccccc1N(C)S(C)(=O)=O 89540678 CKZQTDZZPMDDEO-UHFFFAOYSA-N 308.359 2.236 0 40 DEAB C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CCN(C(=O)c2ccccc2)C1 89894157 PKJVTLZCRMITQY-BBRMVZONSA-N 315.417 2.341 0 40 DEAB O=C(NC[C@H]1CCCO1)c1ccc(Cn2cc(Cl)cn2)o1 27982205 OXSHNTKVNIKXML-LLVKDONJSA-N 309.753 2.087 0 40 DEAB CNC(=O)c1cccc(C(=O)N2C[C@@H](CCN)c3ccccc32)c1 1548579696 REPJOEYODJVUSM-OAHLLOKOSA-N 323.396 2.139 0 40 DEAB Cn1c(C(=O)O)c([C@H](C(=O)O)N2CCCC2)c2ccccc21 36358292 VHVMSPQJYMTQFR-CQSZACIVSA-N 302.330 2.098 0 40 DEAB Cc1nnc(-c2cccc(NC(=O)CN3CC(C)(C)C3)c2)o1 557631889 NZXPYAZDNGJPLM-UHFFFAOYSA-N 300.362 2.325 0 40 DEAB O=C1[C@@H](Cc2ccc(Br)cc2)SC2=NCCN12 36636007 KEGJVXUAAPUCLW-SNVBAGLBSA-N 311.204 2.305 0 40 DEAB CC(C)CCN1C[C@@H](C(=O)Nc2nnc(C3CC3)s2)CC1=O 36359288 RVTPHPWKZUSAHT-NSHDSACASA-N 322.434 2.249 0 40 DEAB CC(C)N1C(=O)CN(CN(Cc2ccsc2)C2CC2)C1=O 78979629 SKMYLNNTHRQGOO-UHFFFAOYSA-N 307.419 2.343 0 40 DEAB Cc1ccccc1[C@H](O)CNC(=O)N[C@@H](C)c1cn(C)nc1C 79028322 WVFOLRYCHAGREI-BLLLJJGKSA-N 316.405 2.131 0 40 DEAB Cc1cc(C)nc(N2CCC[C@@H](c3n[nH]c4nccnc34)C2)n1 72369162 DVNQJMKLLVHIJP-GFCCVEGCSA-N 309.377 2.144 0 40 DEAB CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 78404086 JKSSCCLVKUKPJP-LBPRGKRZSA-N 312.435 2.137 0 40 DEAB O=C(O)c1[nH]nc(-c2ccccc2)c1I 44242606 NNYUIHAOMUJBLL-UHFFFAOYSA-N 314.082 2.380 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccccc2Cl)c1=O 225967141 YDWBAUONMZXPSE-UHFFFAOYSA-N 320.732 2.265 0 40 DEAB CCn1nccc1CN1CCN(Cc2ccc(Cl)cn2)CC1 195560523 MLNSKEORLRBZRH-UHFFFAOYSA-N 319.840 2.269 0 40 DEAB CCS(=O)(=O)c1ccccc1N[C@@H]1CCCC[C@@H]1C(=O)NC 225521453 CKAPDRDRBRBDIX-QWHCGFSZSA-N 324.446 2.197 0 40 DEAB CN(C)c1nc(N2CCCC2)ncc1NC(=O)c1ccccc1 224350743 DFDQVVLFNSNYSU-UHFFFAOYSA-N 311.389 2.395 0 40 DEAB CC(C)C[C@]1(C)CC(=O)N(Cc2cn3cccnc3n2)C1=O 193646310 UUYSJENHVUWIDB-MRXNPFEDSA-N 300.362 2.041 0 40 DEAB Cc1cc(CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)no1 80130404 YEKFPUDISCOOKQ-NRFANRHFSA-N 311.338 2.181 0 40 DEAB CC[C@H](CNC(=O)c1ccc(=O)n(C)c1)Oc1cccc(F)c1 84561052 WXAMLFXQDMFJPI-CQSZACIVSA-N 318.348 2.112 0 40 DEAB Cc1ccc2cccc(C(=O)N3CCNC(=O)[C@@H]3C(C)C)c2n1 96420758 KSLIOBPRGVNJNY-INIZCTEOSA-N 311.385 2.140 0 40 DEAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1cccc(OC)c1 96041445 AVAJXAXYNGRLAU-LZLYRXPVSA-N 319.401 2.033 0 40 DEAB COc1ccc(NC(=O)N2CC3(CCCC3)[C@H]2C(C)C)nn1 578849248 XQHGIJNEFMDNHI-CQSZACIVSA-N 304.394 2.918 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)NCC[C@H](C)O 96503312 VAMKDNHWDAGIHZ-JSGCOSHPSA-N 306.406 2.185 0 40 DEAB CCN(CC)c1ncnc2c1CCN(CC1CCOCC1)CC2 96255822 UWAVYQMAYRKOKJ-UHFFFAOYSA-N 318.465 2.150 0 40 DEAB CCOc1cccc2c1CC[C@@H]2NS(=O)(=O)CCCF 96456118 IFDMJXROQFMIHU-ZDUSSCGKSA-N 301.383 2.352 0 40 DEAB O=C1CCCN1[C@@H]1CCO[C@]2(CCN(Cc3ccco3)C2)C1 96207618 KUZBSICAKHQLQZ-RHSMWYFYSA-N 304.390 2.026 0 40 DEAB Cc1noc(C)c1CN1C[C@H]2CN(Cc3ccccn3)C[C@H]2C1 96161568 CKMRADMOARYKNR-IYBDPMFKSA-N 312.417 2.250 0 40 DEAB Cn1cc(Cl)cc1C(=O)N1CCOC[C@@H]1c1cccn1C 97379432 FBJZNWWIRRKRQD-CQSZACIVSA-N 307.781 2.231 0 40 DEAB C[C@H](CO)CNC(=O)[C@H](C)Cc1ccc(Br)cc1 96487454 KLSJZSYDWZWUBK-WDEREUQCSA-N 314.223 2.372 0 40 DEAB CCOC[C@@H]1CN(C(=O)N2CCCC2)Cc2cnn(CC)c21 96198360 LCDOUZBIOYESRI-AWEZNQCLSA-N 306.410 2.055 0 40 DEAB COC(=O)c1ccc(Cl)c(CN2CCCC[C@H]2CC(N)=O)c1 97237249 CGDVWBYMGRPHKP-ZDUSSCGKSA-N 324.808 2.357 0 40 DEAB CC(=O)N[C@H](c1nccs1)C1CCN(c2ncccn2)CC1 257231366 GGJWVTNTZNNGSX-ZDUSSCGKSA-N 317.418 2.027 0 40 DEAB Cc1nccc(N2CCC[C@H]2c2ncc(C(=O)N(C)C)s2)n1 257249380 JIAAHZKBZMJKPM-NSHDSACASA-N 317.418 2.285 0 40 DEAB NC(=O)c1cnc([C@@H]2CCCCN2Cc2ccccn2)s1 257256307 KKWZDAHQFCEYMK-LBPRGKRZSA-N 302.403 2.364 0 40 DEAB CO[C@]1(COc2ccc(C)cc2)CCN(Cc2cnccn2)C1 585274775 NNKSHATXBZQTMP-GOSISDBHSA-N 313.401 2.455 0 40 DEAB O=C(NC[C@H]1CC[C@@H](Oc2cccc(F)c2)[C@@H]1O)C1CCC1 585286412 YAIAAOSIFNYVJM-DAXOMENPSA-N 307.365 2.260 0 40 DEAB CCc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1 67940367 HJNTXWIBXTXWOR-NSHDSACASA-N 317.393 2.498 0 40 DEAB Cc1cc(OC[C@@H]2CCCN(Cc3nnc(C)o3)C2)ccn1 1776000817 LJMNWLXNRZIHEO-CQSZACIVSA-N 302.378 2.372 0 40 DEAB CCN(C(=O)NC1CCN(C(=O)c2ccoc2)CC1)C1CC1 45564646 XIYZVCDNPLMEQT-UHFFFAOYSA-N 305.378 2.078 0 40 DEAB CCCOc1ccc(Cl)cc1NC(=O)NCCNC(C)=O 47759675 AAGFHHNSZPGZSQ-UHFFFAOYSA-N 313.785 2.386 0 40 DEAB CC(C)c1cc(C(=O)NCCN(C)Cc2ccccc2)n[nH]1 54265288 CPFIYDKTYVDQHH-UHFFFAOYSA-N 300.406 2.395 0 40 DEAB O=C(O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 62119924 WXUPKOYINBJFBZ-ZETCQYMHSA-N 324.185 2.089 0 40 DEAB COC(=O)COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C)cc1OC 97372365 LLTXAECCFHCKSN-VXGBXAGGSA-N 384.432 2.882 0 40 DEAB O=C(Cn1nnc(-c2ccc(F)cc2)n1)Nc1cccc(F)c1 416450 QTVFRGPZKIJHTR-UHFFFAOYSA-N 315.283 2.257 0 40 DEAB CO[C@@]1(COc2ccc(F)cc2)CCN(Cc2cncn2C)C1 1615144909 WESXQILMRZOVEY-KRWDZBQOSA-N 319.380 2.229 0 40 DEAB COc1cccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c1 12878439 JZCWLFVMZXPJJO-UHFFFAOYSA-N 305.355 2.351 0 40 DEAB Cc1ccccc1OCCN1C(=O)c2ccccc2S1(=O)=O 2617866 NGSQFIYDQYOGAM-UHFFFAOYSA-N 317.366 2.219 0 40 DEAB COc1ccc(CCNS(=O)(=O)Cc2ccccc2)cc1 5917112 GKLGKKQWESAZIZ-UHFFFAOYSA-N 305.399 2.357 0 40 DEAB CC(=O)Nc1ccc(C(=O)CSc2cccc[n+]2[O-])c(F)c1 7134555 KHBAHNJFXVWGCY-UHFFFAOYSA-N 320.345 2.393 0 40 DEAB CCCNC(=O)COC(=O)c1csc(-c2ccccc2)n1 7162291 AQKIQCYNUGPTQR-UHFFFAOYSA-N 304.371 2.493 0 40 DEAB Cc1cc(OC2CN(c3ncc(Br)cn3)C2)ccn1 1888857247 TUYCUIUPGDWJKD-UHFFFAOYSA-N 321.178 2.210 0 40 DEAB C[C@H](c1ccccc1)N1CCO[C@H](C(=O)N2CCSCC2)C1 1888864284 GLTWPQIUAPGDJP-ZBFHGGJFSA-N 320.458 2.024 0 40 DEAB Cc1ccc([C@H](NC(=O)[C@H]2CCCN(C(N)=O)C2)C2CC2)cc1 25124755 LXIIDLFRRLHEFX-HOTGVXAUSA-N 315.417 2.353 0 40 DEAB COc1ccccc1/N=c1\scc(C)n1N1CCOCC1 9707468 ZWWMTMWPZYVEQF-NXVVXOECSA-N 305.403 2.067 0 40 DEAB CCOc1ccc(C(C)=O)cc1CN1C(=O)NC(C)(C)C1=O 40456742 GTPIJEMNHNMVFM-UHFFFAOYSA-N 304.346 2.118 0 40 DEAB Cc1cc(C(=O)N2CCCN(Cc3cccs3)CC2)on1 40514246 FOGAPARHPSWAKD-UHFFFAOYSA-N 305.403 2.393 0 40 DEAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CC(=O)N(CC2CC2)C1 40508911 ZTKDLRCSDCMDJD-LLVKDONJSA-N 305.403 2.218 0 40 DEAB COc1cccc(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)c1 101245808 OXYYVINOAJOFDB-HNNXBMFYSA-N 312.325 2.223 0 40 DEAB CCN(CC)C(=O)CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 32237034 PXRBUZMJPROBNZ-UHFFFAOYSA-N 314.389 2.017 0 40 DEAB CCONC(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C 22874753 DUZZSEFUHPQGRK-URZJAHPPSA-N 322.449 2.411 0 40 DEAB CCN1CCC[C@H]1CNC(=O)CCCc1nc(C(C)(C)C)no1 41761489 GEOHNJCYRVYJJV-ZDUSSCGKSA-N 322.453 2.290 0 40 DEAB O=C(CCOc1ccccc1)NCc1nnc2n1CCCCC2 41820749 YRWAXOCVTLSYRR-UHFFFAOYSA-N 314.389 2.090 0 40 DEAB Cc1csc(CNCc2ccc(-n3cncn3)c(F)c2)n1 42202827 NMLAAELQUHNLET-UHFFFAOYSA-N 303.366 2.461 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 42367708 FTLLTXUJWHKWGI-QMTHXVAHSA-N 305.765 2.045 0 40 DEAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)Nc1nncs1 43128001 WLCLBRMVAPZEEO-NSHDSACASA-N 303.391 2.186 0 40 DEAB COC(=O)CCCN1CCC(NC(=O)CC2CCCC2)CC1 78761595 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O=C1[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1c1ccccc1C(F)(F)F 100496897 RXJNXCXDFOJRHB-BJDJZHNGSA-N 309.243 2.148 0 40 DEAB COc1ccc(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 58308934 VXGYHUGFHYJIHR-NSHDSACASA-N 316.323 2.309 0 40 DEAB O=C(Cc1ccc(Cl)cc1)Nc1cccnc1-n1cncn1 58331694 YGQDHZWRYCKBRC-UHFFFAOYSA-N 313.748 2.497 0 40 DEAB Cc1nn(CN2CCO[C@H](C)C2)c(=S)n1-c1ccccc1 12534628 WYCODNPODRCVHT-GFCCVEGCSA-N 304.419 2.390 0 40 DEAB C[C@H]1CN(C(=O)COCc2nc3ccccc3s2)[C@@H](C)CO1 45447703 YRXXRYPZXCVVNF-RYUDHWBXSA-N 320.414 2.449 0 40 DEAB CCO[C@H]1[C@H]2CC[C@H]1N(C(=O)Cc1cccc(OC)c1)CCO2 107720451 RXQYLBJGPHTUCK-JFIYKMOQSA-N 319.401 2.033 0 40 DEAB CN(C)C(=O)CCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 46502946 PIYDCMIHTATIDW-CQSZACIVSA-N 304.390 2.073 0 40 DEAB CCCOC(=O)c1ccc(NC(=O)NC[C@H]2CCOC2)cc1 48020569 CSPWIBFAJCPYQV-GFCCVEGCSA-N 306.362 2.411 0 40 DEAB C[C@@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)C[C@@H](C)O1 48253402 HIRFLLAHDCUCOX-VXGBXAGGSA-N 321.352 2.397 0 40 DEAB 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323.824 2.223 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCOc1ccccc1Cl 71830134 CZSYAVAKTSLBDS-NEPJUHHUSA-N 324.808 2.221 0 40 DEAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCOCC1 19908925 MXOBYRJTTRONIV-INIZCTEOSA-N 302.418 2.260 0 40 DEAB C[C@H](OCC1CC1)C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1 83888764 FRRIILVKZSGETP-GXFFZTMASA-N 305.378 2.426 0 40 DEAB COc1c(CN[C@H]2CCN3CCCC[C@H]23)c(C(C)C)nn1C 69417283 MVSYIVHMZHCGGZ-LSDHHAIUSA-N 306.454 2.269 0 40 DEAB O=C(Cc1csc(NC(=O)C2CC2)n1)NCc1cccs1 9659515 XFLGKMQTIMPMQV-UHFFFAOYSA-N 321.427 2.412 0 40 DEAB O=C(C1=COCCC1)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F 91764828 KJHMMHNRWCXBSO-DOMZBBRYSA-N 309.312 2.293 0 40 DEAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cccnc2N(C)C)C1 69772878 ZWRKSIRPNBKKBX-CQSZACIVSA-N 313.405 2.130 0 40 DEAB CC(C)(C)C(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1 69897775 DROJCPQMWWRZEL-UHFFFAOYSA-N 321.402 2.260 0 40 DEAB Cc1ccc(C)c(C[S@](=O)CC(=O)NCc2ccco2)c1 69806730 YEVZYNZDXDFADW-OAQYLSRUSA-N 305.399 2.462 0 40 DEAB CNC(=O)[C@H]1CCCN1Cc1c(F)cccc1N1CCCC1 92100119 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2.024 0 40 DEAB Cn1nccc1C(=O)N1CCC(c2ccc(Cl)cn2)CC1 1548753589 LBKYMYJVUYSELU-UHFFFAOYSA-N 304.781 2.488 0 40 DEAB Cc1nn(C)c2c(N3C[C@H](C)O[C@@H](C)C3)nc(C(C)C)nc12 32651054 PPHWVYHWZDNUPK-QWRGUYRKSA-N 303.410 2.409 0 40 DEAB Cc1ccc(NC(=O)CSc2nc(=O)[nH]cc2C)cc1F 9808902 ZJTFNBFWMLSSHA-UHFFFAOYSA-N 307.350 2.257 0 40 DEAB COc1cccc2ncnc(N3CCn4c(nnc4C4CC4)C3)c12 543031189 JGIZGMJOBVUDQZ-UHFFFAOYSA-N 322.372 2.128 0 40 DEAB CC(C)COCCNC(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 78999035 MPLUIBFMOSPKQQ-JKSUJKDBSA-N 324.465 2.204 0 40 DEAB O=C(NCCN1CCOCC1)c1cc(-c2ccco2)cs1 72243247 VSEATOYMDWGSSI-UHFFFAOYSA-N 306.387 2.070 0 40 DEAB CCOc1ccc(/C=C/C(=O)NCCCC(=O)OC)cc1OC 49984942 FLQWLEYBQVOOGS-CSKARUKUSA-N 321.373 2.177 0 40 DEAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCN(C)C 224132321 KUELMMZPNMBKMG-KRWDZBQOSA-N 304.434 2.401 0 40 DEAB COCc1nsc(N(C)Cc2ccc3c(c2)OCCO3)n1 530594562 PLWRDNCUEGDKAF-UHFFFAOYSA-N 307.375 2.092 0 40 DEAB COC(=O)CCCC(=O)N(C)c1ccc(Br)cn1 195570670 VPHCBWCXMHDLEI-UHFFFAOYSA-N 315.167 2.150 0 40 DEAB CC(C)(C)C(=O)N[C@H]1CCCN(CC(=O)N2CCCCCC2)C1 332374431 WJVMQXSMBZMYPH-HNNXBMFYSA-N 323.481 2.016 0 40 DEAB COc1csc(C(=O)N2CCCN(C(=O)C(C)(C)C)CC2)c1 96446282 APVCVDVZZOQSHT-UHFFFAOYSA-N 324.446 2.477 0 40 DEAB O=C(C1CCC1)N1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1 96218706 LXIUXAPXUPRCHY-DOTOQJQBSA-N 302.374 2.021 0 40 DEAB COC(=O)C[C@@H](c1ccc2nccnc2c1)c1c(O)n[nH]c1C 95473088 YJXMKZQOWLQRAZ-NSHDSACASA-N 312.329 2.062 0 40 DEAB O=C([C@@H]1CCOc2ccccc21)N1CCNC[C@H]1c1ccncc1 333319332 UDXPOQWSIHGERI-SJORKVTESA-N 323.396 2.121 0 40 DEAB C[C@@]1(C(=O)NC[C@H]2CCCO2)CC(c2cccc(F)c2)=NO1 96192993 HAMBBCFZSJBGCH-CJNGLKHVSA-N 306.337 2.004 0 40 DEAB COc1ccc(CCNC(=O)NCc2cnn(C)c2)c(Cl)c1 96473411 FFRKJRSLASVKHY-UHFFFAOYSA-N 322.796 2.124 0 40 DEAB O=C(NC[C@@H](CO)Cc1ccc(Cl)cc1)[C@H]1CCCOC1 95407029 HAYFPHAYJOVRNT-KBPBESRZSA-N 311.809 2.034 0 40 DEAB Cn1cnc2c1[C@@H](COCC1CCOCC1)CN(C1CCC1)C2 96045017 FJIUFWDNCKVGOV-OAHLLOKOSA-N 319.449 2.315 0 40 DEAB CC[C@@H](C(=O)O)n1ncc2ccc(Br)cc2c1=O 95095838 ZRKKMAPWOHFPOO-JTQLQIEISA-N 311.135 2.195 0 40 DEAB COCCc1nnc(SCc2nc3ccccc3s2)n1N 96430384 LELACBNVXVSQRH-UHFFFAOYSA-N 321.431 2.083 0 40 DEAB Cc1cc(C)nc([C@H]2CN(C(=O)c3ncccc3C)CCO2)n1 257258293 KTEYAYHXRZFORF-CQSZACIVSA-N 312.373 2.011 0 40 DEAB COc1ccccc1[C@@H]1Cn2ccnc2CN1Cc1ccnn1C 257227514 FPRHXMZNKMBBEC-INIZCTEOSA-N 323.400 2.382 0 40 DEAB Cc1ocnc1C(=O)NCc1cnc([C@@]2(C)CCCCO2)nc1 257236528 HCPBXFLNZZGVSB-MRXNPFEDSA-N 316.361 2.119 0 40 DEAB CC(C)C[C@@H]1OCCC[C@@H]1NC(=O)N[C@@H](C)c1cnn(C)c1 274854863 UWZBNOBCRHKAQG-QEJZJMRPSA-N 308.426 2.374 0 40 DEAB CCOc1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 298117894 SIVFCDPXECGOHC-CJNGLKHVSA-N 318.417 2.396 0 40 DEAB O=C(NCCn1nc(C2CC2)ccc1=O)Nc1cccs1 575606180 FBMQONCAOPPKAA-UHFFFAOYSA-N 304.375 2.004 0 40 DEAB O=C(CC1CCOCC1)N1CC[C@H](Cc2ccccc2)[C@H](O)C1 585280195 ZVOLMWJSUKPWMK-QZTJIDSGSA-N 317.429 2.255 0 40 DEAB COCCN1C(=O)C[C@H]2[C@H](CNC3CCCCC3)[C@@H](C)C[C@H]21 1775964453 XAZIGQONLVGXIO-QMCVQRASSA-N 308.466 2.428 0 40 DEAB biogenic,in-vitro O=C(Nc1ccc(N2CCCC2)nc1)NC1CCC(O)CC1 48085125 AIKQYPBEQNASRJ-UHFFFAOYSA-N 304.394 2.107 0 40 DEAB CC(=O)NCC1CCN(c2ncnc3cccc(F)c23)CC1 54060044 ZPMHOSXONREMNZ-UHFFFAOYSA-N 302.353 2.121 0 40 DEAB C[C@@H](CCc1cccn1C)NC(=O)N1CC[C@H](N2CCCC2)C1 74745480 OZTZLDJOKNJIJC-RDJZCZTQSA-N 318.465 2.226 0 40 DEAB O=C1NCC=Cc2c1[nH]c(Br)c2Br 75759810 OHTUDDNYUHUIAU-UHFFFAOYSA-N 305.957 2.296 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@@H]12)c1cc(-c2ccco2)[nH]n1 60573293 RTCYCUNUGQTENB-FZMZJTMJSA-N 300.362 2.026 0 40 DEAB CC(C)n1c(CO)nn(-c2ccc(C(F)(F)F)cc2)c1=O 91301779 ICCFUOSKIQIYHN-UHFFFAOYSA-N 301.268 2.126 0 40 DEAB C[C@@H]1OCC[C@H]1S(=O)(=O)[C@@H](C)c1nc(C(C)(C)C)no1 95973628 DIFOJUKAJBCKQG-LPEHRKFASA-N 302.396 2.020 0 40 DEAB CC[C@H](C)NC(=O)[C@H]1CC(c2cc(OC)ccc2OC)=NO1 5030703 RAFZSAMBTIKINB-ZUZCIYMTSA-N 306.362 2.112 0 40 DEAB COCc1nc2nc(SC)nn2c(N)c1-c1cccs1 13638167 KMHTXCSXSOXRPR-UHFFFAOYSA-N 307.404 2.303 0 40 DEAB C[C@@H](O)[C@@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 2513013 CTTIQIOTCUBWFN-GDBMZVCRSA-N 306.406 2.100 0 40 DEAB O=C(NCCCCSc1ncnc2nc[nH]c12)N1CCCC1 6622434 DILHSPFBPQBMAR-UHFFFAOYSA-N 320.422 2.031 0 40 DEAB O=C(NC(=S)Nc1ccc2c(c1)COC2=O)c1ccccc1 6276808 JFOLODCZGPYHMI-UHFFFAOYSA-N 312.350 2.484 0 40 DEAB CN(C)C[C@H]1CN(C(=O)c2cccnc2)Cc2ccccc2O1 19582085 RYEXNGFOWTVHHE-INIZCTEOSA-N 311.385 2.047 0 40 DEAB CCN1CCCC[C@]12CCCN(C(=O)CCc1cncnc1)C2 1614927461 SPQYLQZZDNNSBI-GOSISDBHSA-N 316.449 2.276 0 40 DEAB O=C(c1cc[nH]c1)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1 1146883442 DPYBAVFMBAZEOQ-INIZCTEOSA-N 323.396 2.151 0 40 DEAB COc1ccccc1-n1nnc(-c2nc3ccccc3[nH]2)c1N 2087097108 YSHACRFVSHLKSP-UHFFFAOYSA-N 306.329 2.401 0 40 DEAB CN1CC2(CCC1=O)CCN(C(=O)Cc1cccc(F)c1)CC2 1565543173 CXKNDVJERPFFCP-UHFFFAOYSA-N 318.392 2.229 0 40 DEAB COc1cccc(-c2nnc(NC(=O)c3cc(C)no3)o2)c1 12422432 HOTPTYRHPIRKSC-UHFFFAOYSA-N 300.274 2.294 0 40 DEAB COc1ccc2cc(C(=O)NC[C@H](O)CCSC)[nH]c2c1 1775967372 OTDPPIKSSSZBLS-LLVKDONJSA-N 308.403 2.020 0 40 DEAB CCOC(=O)Nc1nc(CC(=O)NCc2ccco2)cs1 12440472 WDZOJICMJSZPOP-UHFFFAOYSA-N 309.347 2.163 0 40 DEAB NC(=O)C1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1 21578802 DGDLWABVVQYPDX-UHFFFAOYSA-N 320.780 2.087 0 40 DEAB Cc1ccsc1C(=O)Nc1ccc(CS(N)(=O)=O)cc1 40217512 QAGFGNHYOWCYRO-UHFFFAOYSA-N 310.400 2.097 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1 153818 UUIWMCVZJJZGEW-ZDUSSCGKSA-N 321.373 2.119 0 40 DEAB O=C(Nc1cccc(CN2C(=O)CNC2=O)c1)C1CCCCC1 40510499 XZLZSZHZGPBCPD-UHFFFAOYSA-N 315.373 2.257 0 40 DEAB COc1ccc(CNC(=O)NCCc2cccc(F)c2)cn1 32795216 PXFJLPKAIOVCEB-UHFFFAOYSA-N 303.337 2.271 0 40 DEAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NC2CCN(C)CC2)cc1 32914292 FJZJPCVRACBLGI-MLGOLLRUSA-N 315.417 2.105 0 40 DEAB O=C(CC[C@@H]1CCCO1)NCCc1cc(F)cc2c1OCOC2 52901580 YDLBVHOQIHSDBV-HNNXBMFYSA-N 323.364 2.310 0 40 DEAB CN[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 53202858 UJLXGAMYTZSZIZ-SNVBAGLBSA-N 322.352 2.078 0 40 DEAB O=C(NCc1cccnc1OC1CCCC1)NC[C@@H]1CCCO1 47579674 BKRCORMCMSMXDR-HNNXBMFYSA-N 319.405 2.381 0 40 DEAB Cc1cc(C)cc(NC(=O)C[C@H]2N[C@H]3CCCC[C@@H]3NC2=O)c1 4223152 FHPVBAPVNSIQMX-HRCADAONSA-N 315.417 2.031 0 40 DEAB CC1(C)CC(Nc2nnc(C(C)(C)C)c(=O)[nH]2)CC(C)(C)N1 4225055 IKUJPWAJJMEAFM-UHFFFAOYSA-N 307.442 2.184 0 40 DEAB CCCCOc1ccc(NC(=O)C(=O)NCCCCCO)cc1 6651459 MGIOPXNSBOUMOQ-UHFFFAOYSA-N 322.405 2.083 0 40 DEAB CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NCC1CCC1 26136294 MBASDTTVHVAWDM-OAHLLOKOSA-N 306.381 2.496 0 40 DEAB Cc1ccc(C(=O)NC2CCN(Cc3ccncc3)CC2)c(C)n1 57165531 KGOLEEXVASWYQY-UHFFFAOYSA-N 324.428 2.488 0 40 DEAB COc1cc(CC(=O)OCc2cc(C)no2)cc(OC)c1OC 8540901 VNEGEHZYPWHFFM-UHFFFAOYSA-N 321.329 2.295 0 40 DEAB CSc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 95424100 CFUHWUBLKJTOGF-VXGBXAGGSA-N 323.414 2.499 0 40 DEAB O=C(NCCNc1ncccn1)c1c[nH]nc1C1CCCCC1 57835469 LTOJUZVUUGHMOK-UHFFFAOYSA-N 314.393 2.089 0 40 DEAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCN(c2nccs2)CC1 44894416 INDLHGWABVXKMP-OKILXGFUSA-N 322.478 2.055 0 40 DEAB Cc1cc(C)n(C[C@H](C)CNc2ncc(C(N)=O)cc2Cl)n1 58225791 RHTPADAQOWNPDE-SECBINFHSA-N 321.812 2.395 0 40 DEAB c1ccc(-n2nnnc2NCc2ccc(N3CCCC3)nc2)cc1 45026494 GHUQPRXQIRPXBP-UHFFFAOYSA-N 321.388 2.270 0 40 DEAB Cc1n[nH]c(-c2ccc(NC(=O)NCc3cccnc3)cc2)n1 58417052 DGUJZEXZVJZNNO-UHFFFAOYSA-N 308.345 2.497 0 40 DEAB Cc1c(NS(C)(=O)=O)cccc1C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 100450192 LPSKIECRISIDMN-JMSVASOKSA-N 322.430 2.285 0 40 DEAB NC(=O)c1ccccc1NCC(=O)NCc1ccccc1Cl 10840116 ZTHIBGYKAUUTBH-UHFFFAOYSA-N 317.776 2.167 0 40 DEAB CC(C)N1C[C@@H](C(=O)NCc2nc3ccccc3s2)CC1=O 28425667 SGKZIEWTJLXXNG-NSHDSACASA-N 317.414 2.169 0 40 DEAB CCn1cc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)cn1 28235874 ZNJTVVKCCQSLCJ-QGZVFWFLSA-N 312.417 2.184 0 40 DEAB COc1cccc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)c1 11202779 HICQOFZMLXAJOL-NSHDSACASA-N 305.403 2.450 0 40 DEAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC2CCCCC2)o1 28854183 LCNRUGXJZNFJGD-NSHDSACASA-N 322.361 2.292 0 40 DEAB CCNC(=O)NC(=O)[C@H](C)Sc1nc2ccccc2nc1C 29282266 KSRFUGFHRRYUBJ-JTQLQIEISA-N 318.402 2.265 0 40 DEAB Cc1c(NC2=NC[C@H](C)S2)c(=O)n(-c2ccccc2)n1C 3226975 COSVVTJEOMTYFV-JTQLQIEISA-N 302.403 2.388 0 40 DEAB O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1ccco1 12321981 SCBVWTMKTQUWOE-UHFFFAOYSA-N 311.341 2.197 0 40 DEAB CCOC(=O)N(C)CC(=O)Nc1ccc(N2CCCC2)cc1 48215453 PSHVVXSFTNOKKX-UHFFFAOYSA-N 305.378 2.314 0 40 DEAB O=C(C[C@H]1CCS(=O)(=O)C1)Nc1cc(Cl)c(Cl)cn1 72530410 FLCGBMKEZXHMEC-SSDOTTSWSA-N 323.201 2.152 0 40 DEAB O[C@@]1(c2ccccc2)[C@@H]2[C@@H]3[C@H]4C[C@@H]2[C@@H]2[C@H]4[C@@H]([C@H]3C3OCCO3)[C@H]21 104202503 ZYWAORRECHWNCD-WMDZDGEUSA-N 310.393 2.251 0 40 DEAB COc1cccc([C@H](C)Sc2nnnn2CCN(C)C)c1 84656259 DIRYWGLWUFQYBB-NSHDSACASA-N 307.423 2.097 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC2CCCCC2)c1C 3587371 LHZLVFNGFQVXDJ-UHFFFAOYSA-N 320.389 2.440 0 40 DEAB CN(C)S(=O)(=O)c1ccc2[nH]c(-c3ccc(O)cc3)nc2c1 48877738 NZUYWMNZWQEAOY-UHFFFAOYSA-N 317.370 2.186 0 40 DEAB CCc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 3958718 WZCRHPVXCFVAMT-UHFFFAOYSA-N 308.337 2.484 0 40 DEAB Cc1[nH]c2ncnc(NC(=O)c3ccc4c(c3)nnn4C)c2c1C 96008834 XDXVZAFIKGEGQI-UHFFFAOYSA-N 321.344 2.109 0 40 DEAB Cc1ccc(/C=C2/NC(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 4082598 JRJXEAWUHRZMMV-LTXFRBGYSA-N 318.376 2.419 0 40 DEAB biogenic Cc1cc(NC(=O)NC[C@H]2CCCO2)n(-c2ccccc2)n1 65433685 KMAVVYNYPKEHGI-CQSZACIVSA-N 300.362 2.481 0 40 DEAB COc1ccccc1C(=O)O[C@H](C)C(=O)Nc1cc(C)on1 14016096 YIJMFMINNPCBTJ-SNVBAGLBSA-N 304.302 2.176 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 14199244 ZZPVWAMEBCEHBR-UHFFFAOYSA-N 313.313 2.126 0 40 DEAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)/C=C/c1ccco1 14197076 CHLBODJDWXVJCZ-CMDGGOBGSA-N 309.325 2.188 0 40 DEAB CN(CC(C)(C)CN)S(=O)(=O)c1ccc2ccccc2c1 93873712 QKLORNWDDWJWPW-UHFFFAOYSA-N 306.431 2.445 0 40 DEAB CC(C)(CNC(=O)c1ccc2c(c1)CCCC2)N1CCOCC1 14201486 LYDYEXZELGSVIG-UHFFFAOYSA-N 316.445 2.406 0 40 DEAB C[C@@H](NC(=O)Nc1cn[nH]c1)c1ccc(N2CCOC2=O)cc1 65829793 ILNPSGNEMCEHPO-SNVBAGLBSA-N 315.333 2.249 0 40 DEAB COc1ccccc1Cc1nnc(S[C@H]2CCOC2=O)o1 66258161 RLZHUOGGMXKHMI-NSHDSACASA-N 306.343 2.077 0 40 DEAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCOCC1 19877765 JVFKQRBGWLOUTP-LLVKDONJSA-N 306.189 2.065 0 40 DEAB O=C(COC(=O)c1ccccc1F)NCc1ccccc1F 7398495 RKVILDHXEXMGGE-UHFFFAOYSA-N 305.280 2.438 0 40 DEAB CN(C)CCCCN(C)S(=O)(=O)c1c(F)cccc1Cl 96503243 AIHIATCELNYPNR-UHFFFAOYSA-N 322.833 2.441 0 40 DEAB Cc1ccc(S(=O)(=O)CCC(=O)OCc2cc(C)on2)cc1 7822704 IYHCPUTYJLBWEF-UHFFFAOYSA-N 323.370 2.199 0 40 DEAB NC(=O)CSc1ccccc1NS(=O)(=O)c1ccccc1 7940316 FXAGTBCMEYRVQQ-UHFFFAOYSA-N 322.411 2.065 0 40 DEAB CCS(=O)(=O)N1CCC(NC/C(C)=C/c2ccccc2)CC1 71924533 LNSDUKIYCLUUML-FYWRMAATSA-N 322.474 2.494 0 40 DEAB CNC(=O)[C@@H](C)CN(C)C(=O)Nc1ncc(C(C)(C)C)s1 81637057 HLWTZISLCYPIIU-VIFPVBQESA-N 312.439 2.286 0 40 DEAB CCOC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)cc1 8228035 CDBUYLKIYBVYCW-AWEZNQCLSA-N 311.403 2.101 0 40 DEAB COC(=O)N1CCCN(C(=O)NCCc2cccc(C)c2)CC1 69588459 MHLYILLTFHHZDF-UHFFFAOYSA-N 319.405 2.021 0 40 DEAB Cc1cnn(CC2CC2)c1NC(=O)[C@H](C)NC(=O)OC(C)(C)C 69537781 XWSNNEYZCHEMDO-NSHDSACASA-N 322.409 2.453 0 40 DEAB Cc1nn(C)c(C)c1CN1CCN(C(=O)CC2CCCC2)CC1 84012220 PBONXGYYLXSFKM-UHFFFAOYSA-N 318.465 2.261 0 40 DEAB CC(=O)Nc1cccc(NC(=O)N[C@@H](C)C(=O)NC(C)(C)C)c1 69775747 IXICWBIOBKXRKJ-JTQLQIEISA-N 320.393 2.070 0 40 DEAB CCOC1CCN(C(=O)CSc2nc(C)cc(C)n2)CC1 84801098 ICFPTKBSJINMQC-UHFFFAOYSA-N 309.435 2.213 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2ncon2)nn1-c1ccc(F)cc1 97047484 NDFVDUBRNQBZFV-JTQLQIEISA-N 315.308 2.194 0 40 DEAB NC(=O)OCCNC(=O)Cc1coc2ccc3ccccc3c12 97085111 WGTQASUAIRLBCH-UHFFFAOYSA-N 312.325 2.340 0 40 DEAB CN(C)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccsc1 8896158 LSRAEEGDZKTQMO-AWEZNQCLSA-N 310.444 2.329 0 40 DEAB CCOC(=O)N1CCC(N[C@@H](C)CN2CCC[C@H](C)C2)CC1 97036836 AYLUXMJYXMGIJG-GJZGRUSLSA-N 311.470 2.317 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)[C@H](C)OC3CCCC3)C2)n1 72283320 VBSRHPCGMBSALH-SWLSCSKDSA-N 320.437 2.406 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1nnc(C2CC2)o1 72268681 QZFPSIWXMCVZSM-KGLIPLIRSA-N 318.421 2.312 0 40 DEAB COCCS(=O)(=O)N[C@@H](C)c1ccccc1Br 72230402 UOLUPTDKQKZMBV-VIFPVBQESA-N 322.224 2.076 0 40 DEAB CCc1nc([C@@H]2CCCN2Cc2cccc(C(N)=O)c2)no1 72279303 XCIJGVMSIOEYJY-ZDUSSCGKSA-N 300.362 2.068 0 40 DEAB Cc1nn(CC(=O)NC2CCCCCCC2)c(C)c1CCO 97115008 WVXLGIVZLAFRIQ-UHFFFAOYSA-N 307.438 2.264 0 40 DEAB O=C(NCCNc1cccc(Br)c1)[C@H]1CCOC1 95995551 XQMGYRINLQQOOB-JTQLQIEISA-N 313.195 2.014 0 40 DEAB C[C@@H](CNC(=O)[C@@H](C)N1CCSCC1)Nc1ccccc1 95978935 ZXMXJOFNDAWYDD-UONOGXRCSA-N 307.463 2.041 0 40 DEAB COc1cc(CC(=O)N2C[C@@H](C(N)=O)c3ccccc32)ccc1C 75138442 XKHGSENWJKFLRE-OAHLLOKOSA-N 324.380 2.162 0 40 DEAB NC(=O)CC[C@@H]1CCCN(c2cncc(Br)c2)C1 89764612 POJIKGRZWMQYQH-JTQLQIEISA-N 312.211 2.326 0 40 DEAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc2c(C)cccn12 89949138 NQFJFVJWFBSNJH-RDJZCZTQSA-N 314.433 2.379 0 40 DEAB CC(=O)N1CCCN(C(=O)Nc2cccc3cccnc23)CC1 89930550 TXGIJADKWDKAFZ-UHFFFAOYSA-N 312.373 2.321 0 40 DEAB Cc1cc(C)n2nc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)nc2n1 110532116 CRVRIGQWJQVOOC-RFGFWPKPSA-N 313.405 2.296 0 40 DEAB COC(=O)c1cc2c([nH]c1=O)C[C@H](c1ccccc1C)CC2=O 20800718 PPOCQKZRPOXYLL-NSHDSACASA-N 311.337 2.383 0 40 DEAB O=C(NCc1cc(Br)cs1)N1CCC(O)CC1 44971382 RTEMHBJANCTVMZ-UHFFFAOYSA-N 319.224 2.177 0 40 DEAB COc1cc(NC(=O)[C@H]2CCCC(=O)N2)ccc1OC(C)C 548938341 WSNXUESIJUSGCR-GFCCVEGCSA-N 306.362 2.090 0 40 DEAB C[C@]1(c2ccc(F)cc2F)NC(=O)N(CC[C@H]2CCCO2)C1=O 188960789 MFOVUQCDZRKJBE-BDJLRTHQSA-N 324.327 2.301 0 40 DEAB Cc1nc(N2CCN(C)CC2)ccc1CNC(=O)OC(C)(C)C 72224643 XGKVIKDZOHCZKC-UHFFFAOYSA-N 320.437 2.167 0 40 DEAB COC[C@@H]1CCCN(CC(=O)Nc2ccccc2C(C)=O)C1 79091062 YNKQFFIMOCDPPL-CQSZACIVSA-N 304.390 2.186 0 40 DEAB Cc1cc(CCNS(=O)(=O)c2cccc(Cl)c2)on1 77123234 LNOYYCGYSNVUIN-UHFFFAOYSA-N 300.767 2.157 0 40 DEAB Cc1nc(-c2nn3c(Cc4c(C)noc4C)nnc3s2)co1 71282284 INNPPXDPKVHYRX-UHFFFAOYSA-N 316.346 2.345 0 40 DEAB CCCc1nc(CN2CCC[C@H]2C(=O)Nc2nccs2)no1 79311687 ZBZVULLYJNMYAV-JTQLQIEISA-N 321.406 2.082 0 40 DEAB CCC(=O)N1CCC[C@@H](c2cnc(Nc3cnccn3)cn2)C1 72362220 WRXNOFMTOGJJIX-GFCCVEGCSA-N 312.377 2.126 0 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Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)NCCO)c12 97365512 YQBVFFIGZBGEJQ-UHFFFAOYSA-N 318.421 2.340 0 40 DEAB CCCNC(=O)NC(=O)COc1cccc2c1OC(C)(C)C2 7738100 NTIVZTYSOFIIOT-UHFFFAOYSA-N 306.362 2.015 0 40 DEAB CN(C)c1nc(N)nc(COc2cc(Cl)ccc2Cl)n1 16335543 GBCQNQRZBGIUSV-UHFFFAOYSA-N 314.176 2.406 0 40 DEAB Cc1sc(NC(=O)C2=NNC(=O)CC2)nc1-c1ccccc1 9592662 ZAHHTBXDBFNZMO-UHFFFAOYSA-N 314.370 2.323 0 40 DEAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)n1 70008348 LWILBROARXMPPH-CABCVRRESA-N 301.394 2.121 0 40 DEAB CN(c1ncccn1)[C@@H]1CCN(c2ccccc2Cl)C1=O 70037377 ZYSZLMKNZPYCLX-CYBMUJFWSA-N 302.765 2.372 0 40 DEAB Cc1cc(C)nc(SCC(=O)Nc2c(C)c(C)nn2C)n1 71883575 NZNQEQVNPLYWNS-UHFFFAOYSA-N 305.407 2.175 0 40 DEAB CCN1CCCC[C@@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 71869896 OZNXXZGFLBYEPP-HZPDHXFCSA-N 304.438 2.057 0 40 DEAB O=C(Cc1ccccc1)NCCCNC(=O)c1cccs1 8402674 DWVCNYNQBAAZNJ-UHFFFAOYSA-N 302.399 2.227 0 40 DEAB CCCS(=O)(=O)CC(=O)NCC(C)(C)c1ccccc1C 71853485 GUUJERLOLFXYAK-UHFFFAOYSA-N 311.447 2.214 0 40 DEAB CC(=O)Nc1cccc(OCCNC(=O)NCc2ccoc2)c1 69594605 QTFALLHOKONICT-UHFFFAOYSA-N 317.345 2.116 0 40 DEAB CC(=O)N(C)CC(=O)NCC1(c2cccc(C)c2)CCCC1 69559789 JGNIFROMYNYCNQ-UHFFFAOYSA-N 302.418 2.401 0 40 DEAB CCc1ncc(C(=O)N2CCC(Nc3cccnn3)CC2)s1 69655012 RKVAIXSOAFNXMV-UHFFFAOYSA-N 317.418 2.212 0 40 DEAB O=C(Cc1noc(CCc2ccco2)n1)NCc1ccccc1 69707309 NETOHCVQUBFCJS-UHFFFAOYSA-N 311.341 2.307 0 40 DEAB CCn1ccnc1CN1CCN(c2nc(C)cs2)[C@H](C)C1 69899275 CWFXOPSTOYIFSC-CYBMUJFWSA-N 305.451 2.379 0 40 DEAB Cc1nccn1CCCC(=O)N1CCCC[C@H]1Cn1cccn1 69970396 SEWCNJOCUGDWKP-INIZCTEOSA-N 315.421 2.250 0 40 DEAB O=C(c1cccc(-n2cnnn2)c1)N1CCC[C@@H]2CCCC[C@H]21 8855750 LSIARFMQLDVYAW-XJKSGUPXSA-N 311.389 2.457 0 40 DEAB C[C@H]1CN(C(=O)c2cc[nH]c2)[C@@H](C)CN1C(=O)OC(C)(C)C 92988826 BRRKLGSGXHLLEK-RYUDHWBXSA-N 307.394 2.485 0 40 DEAB CCN(Cc1ccc2ccccc2n1)C(=O)c1nccnc1N 95397316 AISSYRYPPZDHQX-UHFFFAOYSA-N 307.357 2.269 0 40 DEAB Cc1ncn(C[C@@H](O)COc2ccc3ccccc3c2)c(=O)c1C 97082240 XPVLWDJPUDTRNM-QGZVFWFLSA-N 324.380 2.453 0 40 DEAB O=C(NCC1CCN(Cc2ccccc2F)CC1)N1CCC1 72271364 SSZZIKKGFWONLP-UHFFFAOYSA-N 305.397 2.453 0 40 DEAB C[C@@H](O)C(=O)NC[C@H]1CC(c2ccc(-c3ccccc3)cc2)=NO1 97163966 TXPZURBVIFOYMD-CXAGYDPISA-N 324.380 2.344 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(c1nc(C)nc(C)c1C)CC2 95966496 ZESWYOOVAYZWBY-GJZGRUSLSA-N 305.422 2.158 0 40 DEAB COc1ncccc1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 75131109 BRUPRMZHFHQPRQ-AWEZNQCLSA-N 314.389 2.381 0 40 DEAB Cc1cnc(NC(=O)N2CCC(N3CCCCC3=O)CC2)s1 89702433 QRYWAZRGCYZNQE-UHFFFAOYSA-N 322.434 2.460 0 40 DEAB CCc1c(NC(=O)N2CCCC[C@H]2CO)cnn1CC(C)C 89876895 UFCPKLZWBBUJBB-ZDUSSCGKSA-N 308.426 2.480 0 40 DEAB C[C@@H]1CN(C)CCN1C(=O)c1cc(Cl)c2c(c1)OCCCO2 89938427 PHJDJLKNHQKYLK-LLVKDONJSA-N 324.808 2.277 0 40 DEAB CC(=O)N1CSC[C@@H]1C(=O)N1CCc2ccc(F)cc2[C@@H]1C 89941492 NJABACYXNUVUFL-ZUZCIYMTSA-N 322.405 2.193 0 40 DEAB Cc1cc(C)cc(C[C@H](C)NC(=O)N[C@@H]2CCC(=O)N(C)C2)c1 76087882 JSJHRDBKQPNBCH-GOEBONIOSA-N 317.433 2.154 0 40 DEAB O=C(O)[C@@H]1C=C[C@@H](NS(=O)(=O)c2csc3ccccc23)C1 551998506 CPLXXGOUSYINPF-NXEZZACHSA-N 323.395 2.209 0 40 DEAB Cc1c(-c2nn3c(C(F)(F)Cl)nnc3s2)cnn1C 61720367 NPWVDUUYBNSDNW-UHFFFAOYSA-N 304.713 2.183 0 40 DEAB O=C(NC/C=C/C1CC1)c1cc2nccc(C(F)(F)F)n2n1 1521445538 SUXZXYMWYQRUBM-OWOJBTEDSA-N 310.279 2.444 0 40 DEAB CC(C)n1cc(S(=O)(=O)N2CCc3ccccc3C2)cn1 72239282 ULUBPGRUUAAEKI-UHFFFAOYSA-N 305.403 2.211 0 40 DEAB Cc1nccn1-c1ccc(NS(=O)(=O)c2ccccc2)cn1 78556741 GVCUWUIWSWICKN-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB CCSC1=N[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1C 32639812 JEWLCYSSWVYCCY-GXTWGEPZSA-N 324.471 2.398 0 40 DEAB COc1cccc(OC)c1C(=O)NCCc1nc(C)cs1 31849042 DCJKMBNFRPQHPX-UHFFFAOYSA-N 306.387 2.441 0 40 DEAB Cc1nccn1-c1cncc([C@@H]2CCCN2C(=O)C2CCC2)n1 72378497 XGQGVHDKHKRJML-HNNXBMFYSA-N 311.389 2.434 0 40 DEAB Cc1cccc(NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1 84855606 JYJNNDUFZNNUSK-LBPRGKRZSA-N 320.311 2.135 0 40 DEAB Cc1nc(CN2C(=O)N[C@H](Cc3ccccc3)C2=O)sc1C 88508569 QBTPVQQLXLRRFB-CYBMUJFWSA-N 315.398 2.423 0 40 DEAB C[C@]1(F)CNCCN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 569003101 QGYYCAJAMASQDQ-HNNXBMFYSA-N 324.787 2.122 0 40 DEAB Cc1nc(CNc2ccc(C(=O)NCCO)c(Cl)c2)oc1C 194343862 ILKPPKCFXUFQGD-UHFFFAOYSA-N 323.780 2.279 0 40 DEAB CN(C)[C@H](CNS(=O)(=O)c1ccccc1)c1cccc(F)c1 47032726 WDSRACNCQFUNON-MRXNPFEDSA-N 322.405 2.407 0 40 DEAB C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)CC(C)(C)c1ccccc1 96412821 LAAHCPHPDDCJLK-KBPBESRZSA-N 323.458 2.388 0 40 DEAB CCOc1cc([C@@H](N)c2n[nH]c([C@H]3CCCO3)n2)ccc1OC 95534453 WVMNLMRAVUTSAL-TZMCWYRMSA-N 318.377 2.112 0 40 DEAB Cc1ccsc1C(=O)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184830 XLKVVRSKNBTDDQ-OLZOCXBDSA-N 314.414 2.340 0 40 DEAB Cc1ccc(CN2CCc3c(nnn3C)[C@H]2COCC2CC2)o1 96100573 ZICHKJFQAYACRP-MRXNPFEDSA-N 316.405 2.243 0 40 DEAB Cc1ccc(N[C@H]2CO[C@]3(CCN(c4nccs4)C3)C2)nn1 96072762 BCPTUODFPYGVNH-IUODEOHRSA-N 317.418 2.091 0 40 DEAB Cc1noc([C@H]2C[C@H]3CN(C(=O)c4ccsc4)CC[C@@H]3O2)n1 96070540 NWAHLEBJDXDKHZ-RWMBFGLXSA-N 319.386 2.432 0 40 DEAB O=C(NC1CCC1)[C@@]12CCO[C@@H]1CCN(Cc1ccsc1)C2 96100054 PPEIANDIDOMCBS-NVXWUHKLSA-N 320.458 2.398 0 40 DEAB CC(C)(C)C(=O)N1C[C@H](OCc2nc3ncccc3[nH]2)[C@H](F)C1 96112019 LGPMRPJREJEXEN-PWSUYJOCSA-N 320.368 2.070 0 40 DEAB biogenic,in-vitro CC(=O)N1CC[C@H]2OCCC[C@]2(COCc2ccccn2)C1 96040258 NUXFRALSEXWTFP-IAGOWNOFSA-N 304.390 2.016 0 40 DEAB COC(=O)[C@H](NC(=O)CCn1cnc2ccccc21)C(C)(C)C 96411665 FFTSDGYJXUXIJM-HNNXBMFYSA-N 317.389 2.130 0 40 DEAB CCOCC[C@@H]1CCOC2(C1)CN(Cc1cccnc1OC)C2 247896461 UZRYCRPAFNQEPE-OAHLLOKOSA-N 320.433 2.498 0 40 DEAB CCN[C@@H]1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1 257212140 CCCHATQZYPRSMP-MRXNPFEDSA-N 302.418 2.450 0 40 DEAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1scnc1C 257219550 DHFOZPBNPJUPCB-BBRMVZONSA-N 321.446 2.457 0 40 DEAB CCc1noc(CC)c1CNC(=O)c1ccc(C(=O)O)s1 262896761 XILRMBAKNIATLR-UHFFFAOYSA-N 308.359 2.489 0 40 DEAB O=C(Cn1ccsc1=O)c1cnc(N2CCCCC2)s1 269485262 QKDIJEGGCLLPEN-UHFFFAOYSA-N 309.416 2.240 0 40 DEAB CC(C)C(=O)N1CC2(C[C@H](Oc3ncccc3F)CS2)C1 575405231 XKMDGYSOMUPZQK-NSHDSACASA-N 310.394 2.342 0 40 DEAB O=C(Cc1ccccc1)N[C@H]1C[C@H]2C[C@H]1CN2Cc1ccncc1 585110247 MHEDYXSGRPZLKU-OTWHNJEPSA-N 321.424 2.403 0 40 DEAB COc1ccccc1OCCNC(=O)c1c(C)nn(C)c1Cl 31358618 OHWQBHKLNCQRDJ-UHFFFAOYSA-N 323.780 2.199 0 40 DEAB CCO[C@@H](C)C(=O)N1CCC(NC(=O)c2ccccc2C)CC1 32307487 GCVULIXYBQBJOL-AWEZNQCLSA-N 318.417 2.141 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@@H](COc3ccncc3)C2)cn1 1776000668 DXMXPWPKDPASKD-CQSZACIVSA-N 312.373 2.111 0 40 DEAB O=C(NCCc1ccc2c(c1)OCCO2)NCCc1ccco1 48250453 JANPNKBMYILWNZ-UHFFFAOYSA-N 316.357 2.135 0 40 DEAB Cc1csc(C(C)(C)NC(=O)N[C@@H](C)c2cnn(C)c2)n1 74473411 JLBGDRPKNLCQFR-JTQLQIEISA-N 307.423 2.481 0 40 DEAB CC(C)c1nnc(N2CCN(C(=O)c3cccc(F)c3)CC2)o1 62121790 KBXBIIIXKNXKKD-UHFFFAOYSA-N 318.352 2.295 0 40 DEAB COc1cccc(NC(=O)N[C@H](C(=O)N2CCCC2)C(C)C)c1 75139411 KQEKOUBRUIOTOE-HNNXBMFYSA-N 319.405 2.464 0 40 DEAB CN1CCN(C2CCN(Cc3nc4ccccc4o3)CC2)C1=O 75131456 WWYQIDACIPRABJ-UHFFFAOYSA-N 314.389 2.160 0 40 DEAB C/C=C/CSCCC(=O)N1CCN(c2ccccn2)CC1 78797196 PYZCYWQYQPTRHU-NSCUHMNNSA-N 305.447 2.430 0 40 DEAB Cc1cc(C(=O)N2CCC(CSc3nccn3C)CC2)no1 90608209 VZASSFWEPWQQTN-UHFFFAOYSA-N 320.418 2.361 0 40 DEAB C[C@H](Cc1ccc(Cl)cc1)NC[C@H]1CCCS1(=O)=O 91398594 BWAJYYPQMPKUOF-BXUZGUMPSA-N 301.839 2.438 0 40 DEAB Cc1ccccc1C[C@@]1(CO)CN(C(=O)CC(C)C)CCO1 1615142409 JHVLUPIDADSEJY-SFHVURJKSA-N 305.418 2.174 0 40 DEAB O=C(NC1CC1)c1cc(=O)c(OCc2ccc(F)cc2)co1 11856882 MHVCCLKHUPFWSJ-UHFFFAOYSA-N 303.289 2.250 0 40 DEAB Cc1ccnc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 13116606 PBLGKRJEBFXEJG-UHFFFAOYSA-N 309.325 2.200 0 40 DEAB CCc1cccc(C)c1NC(=O)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C(=O)O 13154252 ZBZCASVMQIQUTN-CRWXNKLISA-N 303.358 2.374 0 40 DEAB COC(=O)c1ccc(N2CCC(Cc3ccccn3)CC2)nn1 193566717 WYGXIEMHNNZHOT-UHFFFAOYSA-N 312.373 2.117 0 40 DEAB O=C(C1CC1)N1CCC[C@@H](c2cc(C(F)F)n3ncnc3n2)C1 13265638 OWDQQQOCECOSEQ-SNVBAGLBSA-N 321.331 2.178 0 40 DEAB O=C([C@@H]1CCOC1)N1CCC(Oc2ccncc2Cl)CC1 390826896 QVNKGGHKUDCJBA-LLVKDONJSA-N 310.781 2.141 0 40 DEAB COC(=O)[C@H]1Oc2cc(C)oc(=O)c2[C@H]1c1ccc(OC)cc1 85413448 ZIDSDMVIJGGWPC-HIFRSBDPSA-N 316.309 2.023 0 40 DEAB COc1ccccc1-c1nnc(SCC(=O)N2CCCC2)o1 428208 RZBMJDLGTXXCLH-UHFFFAOYSA-N 319.386 2.460 0 40 DEAB Cc1ccc(CN2C[C@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 40467590 IMQBEPXQUKZJLH-CQSZACIVSA-N 313.357 2.279 0 40 DEAB Cn1cc(-c2cc(CNC(=O)OCc3cccnc3)ccn2)cn1 575618853 QCAARRGBYMNDRW-UHFFFAOYSA-N 323.356 2.304 0 40 DEAB CC(C)c1nnc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)s1 4975756 CONLSKUEGYGCCB-VIFPVBQESA-N 310.423 2.247 0 40 DEAB CCOc1ccc([C@H](C)NC(=O)Cn2cccn2)cc1OC 40512599 BMPCGPNRPJALOE-LBPRGKRZSA-N 303.362 2.168 0 40 DEAB O=C(COCC(F)(F)F)Nc1ccc(C(=O)NC2CC2)cc1 40548455 KCVCKCIJYCFION-UHFFFAOYSA-N 316.279 2.096 0 40 DEAB Cc1noc(CS(=O)(=O)Cc2ccc(F)cc2Cl)n1 40528378 PIRGVAPGVCKAMW-UHFFFAOYSA-N 304.730 2.286 0 40 DEAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)NN1CCCCC1 373598 ZDJQHJJLKOSBFH-UHFFFAOYSA-N 316.327 2.296 0 40 DEAB CN[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2Cl)C1 53202946 MGMUNKIGGLGQOW-NSHDSACASA-N 302.827 2.021 0 40 DEAB COc1ccccc1C1(CNC(=O)[C@@H]2COCCO2)CCCC1 53271626 SVPZECRCMCUJOB-INIZCTEOSA-N 319.401 2.039 0 40 DEAB C[C@H](NC(=O)N1CCNC(=O)C1)c1ccc(Cl)cc1Cl 54064315 XFEYQUHMJXTMED-QMMMGPOBSA-N 316.188 2.196 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)OCc1ccccn1 23025211 YDHZIKJYKXPUMP-UHFFFAOYSA-N 305.355 2.151 0 40 DEAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1cnccn1 42706685 GJWZMAJJSJQJES-UHFFFAOYSA-N 309.329 2.004 0 40 DEAB CS(=O)(=O)Nc1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 105632701 FNCREAAXCXIWOT-OBJOEFQTSA-N 322.430 2.111 0 40 DEAB COC(=O)C[C@@H]1CSCCN1C(=O)c1cccc(Cl)c1 78869208 PLWXMAULNQADEK-GFCCVEGCSA-N 313.806 2.461 0 40 DEAB Cc1cc(C)cc(OCCNC(=O)NC2CCC(O)CC2)c1 55085838 GPLSCNIOBWLZIL-UHFFFAOYSA-N 306.406 2.285 0 40 DEAB CCOC(=O)c1cc2cc(C(=O)NC[C@@H]3CCCO3)ccc2[nH]1 24538802 OPZPDPIKOMZWKG-ZDUSSCGKSA-N 316.357 2.253 0 40 DEAB O=C(Cn1ccc2ccccc21)NCc1nnc2ccccn12 79478860 RNOQFCQPGRRTKI-UHFFFAOYSA-N 305.341 2.000 0 40 DEAB COc1ccc([C@@](O)(CS(C)(=O)=O)c2cccs2)cc1 1568093 ZGIPONCSRTZVIX-AWEZNQCLSA-N 312.412 2.037 0 40 DEAB CNC(=O)c1cc(OC)ccc1NC(=O)[C@H]1C[C@H]2CC[C@H]1C2 106644724 BVVRMSYEBRUJEO-GVXVVHGQSA-N 302.374 2.430 0 40 DEAB CC(C)NC(=O)c1nnsc1NC(=O)Nc1ccccc1 1417012 VZWSEFCNFQORKV-UHFFFAOYSA-N 305.363 2.320 0 40 DEAB C[C@H]1CCCCN1c1cc(C(=O)NC[C@@H]2CCCN2C)ccn1 58265079 LGLYKUCWIPBZKP-HOCLYGCPSA-N 316.449 2.284 0 40 DEAB CC(C)N(Cc1ccccn1)C(=O)[C@@H](C)NC(=O)c1ccoc1 58304663 KKXHTZHSTMLPJI-CYBMUJFWSA-N 315.373 2.230 0 40 DEAB COc1ncccc1CNC(=O)N(C)Cc1c(C)noc1C 45965900 DUNBQJNFKYHBQT-UHFFFAOYSA-N 304.350 2.037 0 40 DEAB O=C(COc1ncnc2sccc12)NCCc1ccccc1 2663981 OQGMKRPANQXJJM-UHFFFAOYSA-N 313.382 2.429 0 40 DEAB CNC(=O)NC(=O)CSc1cc(C)c2cccc(C)c2n1 3381877 YNHNMTZFQLMJLW-UHFFFAOYSA-N 303.387 2.399 0 40 DEAB CS(=O)(=O)c1cccc(C(=O)NCCCc2ccccc2)c1 12806096 MFFSHUNMGBAMBT-UHFFFAOYSA-N 317.410 2.453 0 40 DEAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCN(C(=O)C2CC2)CC1 12858511 JHQJXQPDKHPVSD-UHFFFAOYSA-N 315.348 2.001 0 40 DEAB CCCc1ccc(N2C[C@@H](C(=O)Nc3ncccn3)CC2=O)cc1 12948200 VLCGAOJUVGNKDX-AWEZNQCLSA-N 324.384 2.421 0 40 DEAB CCOC(=O)c1ccccc1NS(=O)(=O)c1c(C)noc1C 9116278 UCYVHWPJAXYBGT-UHFFFAOYSA-N 324.358 2.269 0 40 DEAB C[C@@H](COc1ccccc1F)NC(=O)N[C@@H](C)c1cnn(C)c1 95404519 CNFLHXRQUQRCKX-RYUDHWBXSA-N 320.368 2.387 0 40 DEAB NC(=O)c1ccccc1OCC(=O)NC1CCCCCCC1 9248054 LDMOPEKVTSCQJZ-UHFFFAOYSA-N 304.390 2.393 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCc1ccc(-n2cccn2)cc1 65494351 VQKKDSFJGYNKQK-UHFFFAOYSA-N 324.432 2.270 0 40 DEAB CC(C)(C)OCCN1C(=O)N[C@]2(CCOc3ccccc32)C1=O 65610054 OWTSUJDEVILSBE-KRWDZBQOSA-N 318.373 2.031 0 40 DEAB CCC(CC)NC(=O)CCn1nc(-c2cccs2)oc1=O 14184001 XGGLNOIQWRHZKB-UHFFFAOYSA-N 309.391 2.260 0 40 DEAB FC(F)Oc1ccc(-c2nc3c4cn[nH]c4ncn3n2)cc1 6414050 JHNNIQLDIPDRMM-UHFFFAOYSA-N 302.244 2.269 0 40 DEAB Cc1ccc(NC(=O)C[C@H]2NC(=O)c3ccccc3NC2=O)cc1 96344766 FCJFHWKUZHVRHI-OAHLLOKOSA-N 323.352 2.074 0 40 DEAB CCOc1ccc2oc(C(=O)NCC(=O)NC(C)C)c(C)c2c1 7116285 HFMAWYYDOXEFQH-UHFFFAOYSA-N 318.373 2.394 0 40 DEAB O=C(OCc1cc(-c2cccs2)on1)c1cc[n+]([O-])cc1 7554345 NOLCFVYSVQXVBQ-UHFFFAOYSA-N 302.311 2.394 0 40 DEAB C[C@@H](NC(=O)COC(=O)[C@H]1CCCO1)c1cc2ccccc2o1 7694479 SBQXJHDKWGFGGV-BXUZGUMPSA-N 317.341 2.332 0 40 DEAB CC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2ccccc21 7986718 UBDJYFAYQQUIOT-UHFFFAOYSA-N 310.309 2.436 0 40 DEAB c1coc(-c2noc(CN3CCC[C@@H](N4CCCC4)C3)n2)c1 69150412 NVTCIQNRRORLCF-CYBMUJFWSA-N 302.378 2.390 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c2c(C)n[nH]c2n1 69374118 NFUMXWIHORCDAU-ZDUSSCGKSA-N 324.388 2.249 0 40 DEAB Cc1ccc(N2CCC[C@@H](NC[C@H](O)c3ccccc3)C2)nn1 95351554 ILSRLTNKFCKIDP-SJORKVTESA-N 312.417 2.077 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2cn(C)nc2-c2cccnc2)c1 69490179 TVHFKVKGZQINTO-CQSZACIVSA-N 310.405 2.165 0 40 DEAB O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1cn[nH]n1 71905247 GQPOPTVKTZOUAX-UHFFFAOYSA-N 322.250 2.262 0 40 DEAB O=C(COc1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1 69971401 DYWUEKGJOSFXHO-OAHLLOKOSA-N 317.364 2.482 0 40 DEAB CC[C@]1(C(=O)OC)C[C@H](C(=O)O)[C@H](c2ccc(F)cc2)N1C 8730129 VKNSHFZHNUXUHI-HEHGZKQESA-N 309.337 2.225 0 40 DEAB CCOC(=O)[C@@H](C)N1CCCN(C(=O)Oc2ccccc2)CC1 72074096 ZGXHTLZWYKAZRD-CQSZACIVSA-N 320.389 2.145 0 40 DEAB CC(C)Cc1cc(C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)cc(=O)[nH]1 97045172 BKTHABGTNZLDKY-CZUORRHYSA-N 319.449 2.128 0 40 DEAB COc1cc(C)nc(N2CCCN(c3nc(C)cs3)CC2)n1 95959649 PUAWMVPBEKFWDU-UHFFFAOYSA-N 319.434 2.275 0 40 DEAB Cc1ccc(C(=O)NCc2ccccc2N2CCCC2)c(=O)[nH]1 75123019 YCPZIFYFQBGPED-UHFFFAOYSA-N 311.385 2.214 0 40 DEAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCCN2CC)cn1C 75215618 VSSMNKCCMCTNSW-ZDUSSCGKSA-N 307.394 2.015 0 40 DEAB O=C(Cn1ccnc1)NC[C@H](O)c1ccc(Cl)cc1Cl 89768362 NNLRPSCQWHZUFY-LBPRGKRZSA-N 314.172 2.040 0 40 DEAB CC[C@H]1CN(C(=O)c2cc(=O)c3ccccc3o2)C[C@@H]1N(C)C 89948490 DNSBWNOWDTWGRV-JSGCOSHPSA-N 314.385 2.205 0 40 DEAB COc1ccc(CC(=O)NOCc2ccccc2)c(OC)c1 25038365 CBTWTEDBBHKUEQ-UHFFFAOYSA-N 301.342 2.494 0 40 DEAB Cc1ccccc1CN1CCC(NS(=O)(=O)C2CC2)CC1 173041344 WILVIMMWDYPDTL-UHFFFAOYSA-N 308.447 2.041 0 40 DEAB O=C(NCCCCc1ccccc1)C(=O)Nc1nccs1 408709480 BEZARRHIUCXASM-UHFFFAOYSA-N 303.387 2.221 0 40 DEAB O=S1(=O)CCN(Cc2ccc(-c3ccccc3O)cc2)CC1 521398301 ACFHYURDSGZFKS-UHFFFAOYSA-N 317.410 2.290 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2ccn[nH]2)C1 72385730 KRJZIULGFPSPJV-ZDUSSCGKSA-N 301.394 2.088 0 40 DEAB Cc1nnnn1-c1ccc(C(=O)NCc2ccccc2F)cc1 71280568 PROGFXDUXHZEEC-UHFFFAOYSA-N 311.320 2.040 0 40 DEAB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cn1 37123870 IOCIAMMJOAAACI-YRGRVCCFSA-N 320.389 2.330 0 40 DEAB CCN(Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)N)C1 79415489 BVQBINCPPIXRPX-DOTOQJQBSA-N 303.450 2.094 0 40 DEAB NCCN(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 79391856 PUPAJMCYMFHFKD-KRWDZBQOSA-N 317.433 2.211 0 40 DEAB COCCNC(=O)c1ccc(Cl)c(NCc2nc(C)no2)c1 78921285 CFDVNKLTAJXUHO-UHFFFAOYSA-N 324.768 2.020 0 40 DEAB CN(Cc1ccco1)C(=O)[C@H]1CCC(=O)N1Cc1ccco1 72239562 VZFXDJMXZTUIAH-CQSZACIVSA-N 302.330 2.022 0 40 DEAB O=C(NC[C@@H](CC1CC1)C(=O)O)[C@H]1CCc2cc(F)ccc21 563448978 DJAYSYFJCUTAKO-DOMZBBRYSA-N 305.349 2.473 0 40 DEAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NCC(=O)O 225568248 HQSOSXHOFVXMCC-MRVPVSSYSA-N 319.188 2.187 0 40 DEAB Cn1cc([C@@H]2C[C@@H](NC(=O)c3cc(Cl)cn3C)CCO2)cn1 568662189 PHWJHYWPYWXWCS-JSGCOSHPSA-N 322.796 2.062 0 40 DEAB CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(O)ccc12)C(=O)O 83259235 SKUAFOOTSOTMAO-ZDUSSCGKSA-N 320.345 2.394 0 40 DEAB CN1CCN([C@H](Cc2ccc(Cl)cc2Cl)C(=O)O)CC1 225145996 HKEUXQCJEPUBTD-CYBMUJFWSA-N 317.216 2.237 0 40 DEAB COc1ccc(CCNC(=O)COc2cccc(OC)c2)cc1 44508918 DLJQSESVYLFNJD-UHFFFAOYSA-N 315.369 2.442 0 40 DEAB C[C@H]1NC(=O)CC[C@H]1Nc1cc(OCc2ccccc2)ncn1 570662561 MMDSYCYLFYQTFI-TZMCWYRMSA-N 312.373 2.135 0 40 DEAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)C1CCS(=O)CC1 81833304 VRQRUESZRZDLEU-SKCCSRECSA-N 305.443 2.468 0 40 DEAB O[C@@H](CN1CCN(Cc2cc(F)ccc2F)CC1)c1ccco1 85436910 RGRSAJANNGSAAM-INIZCTEOSA-N 322.355 2.409 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1cccc2cccnc12)C(C)(C)C 96411659 GPSPCWRKSQOMHW-INIZCTEOSA-N 314.385 2.481 0 40 DEAB CC(=O)N[C@@H]1CCCN(C(=O)COc2ccc(C)cc2Cl)C1 96475804 ZIAFGYLDWSHUED-CYBMUJFWSA-N 324.808 2.154 0 40 DEAB CCc1cc(N(C)C[C@@H](C)C(=O)OC)nc(-c2ccncc2)n1 96482653 JNFFKZLZNAVDNL-GFCCVEGCSA-N 314.389 2.346 0 40 DEAB COc1ccc(C2(NC(=O)[C@H]3CCc4n[nH]cc4C3)CC2)cc1 534562676 UNBUCJDZVKHQRK-LBPRGKRZSA-N 311.385 2.329 0 40 DEAB C[C@@H](C(=O)N=c1[nH]cc[nH]1)c1ccc(C[C@@H]2CCCC2=O)cc1 95480481 NKJFRLNQHZLKBK-DOMZBBRYSA-N 311.385 2.486 0 40 DEAB O=C(CN(CCO)C1CC1)Nc1ccc(Cl)cc1Cl 97491054 HOZKNWWDAQREMK-UHFFFAOYSA-N 303.189 2.389 0 40 DEAB CN(C)Cc1ccnc(NS(=O)(=O)CCc2ccccc2)c1 96462648 JNQYIFVPPGJZHO-UHFFFAOYSA-N 319.430 2.128 0 40 DEAB CCO[C@@H]1COC2(CCN(C(=O)c3csc(C)n3)CC2)C1 96106593 PZMSXUHYYOSMBK-LBPRGKRZSA-N 310.419 2.252 0 40 DEAB O=C(C1CCC1)N1C[C@@H]2CN(Cc3cccs3)CCO[C@@H]2C1 96108179 YLWPWSOQADVFDF-GOEBONIOSA-N 320.458 2.207 0 40 DEAB CCCN1CCC(N2CCN(Cc3ccncc3)CC2)CC1 96424672 XQMDLSFROOWBTH-UHFFFAOYSA-N 302.466 2.074 0 40 DEAB Cc1nc(-c2cccc(C(=O)NC[C@@H](O)c3ccco3)c2)no1 96436103 NOAWLVSVPADGAT-CYBMUJFWSA-N 313.313 2.101 0 40 DEAB CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nnc(C)s2)C1 330644046 FZFVWJSWYZWVOY-AAEUAGOBSA-N 310.467 2.363 0 40 DEAB Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(C(N)=O)CC1 26536468 XMRQNCUXVADVSQ-UHFFFAOYSA-N 323.396 2.395 0 40 DEAB Cn1nccc1C(=O)N1CCO[C@@H](Cc2cccc(Cl)c2)C1 257290656 QDUXEHAFKMVLRI-AWEZNQCLSA-N 319.792 2.157 0 40 DEAB NC(=O)[C@@]1(c2cnccn2)CCCN1Cc1ccc(Cl)cc1 257324982 WQZUICUKMVNFGC-INIZCTEOSA-N 316.792 2.107 0 40 DEAB CCS(=O)(=O)NCc1ccc(-c2ccccc2C(=O)O)cc1 257290451 QCZUFTDVWDBAQW-UHFFFAOYSA-N 319.382 2.491 0 40 DEAB O=C(NCCOc1ccccc1)NCC[C@H](O)c1ccoc1 90613348 QPEDUSWCTAISQY-HNNXBMFYSA-N 304.346 2.081 0 40 DEAB O=C(NCc1cccs1)[C@H]1CC(=O)N(Cc2ccco2)C1 28409513 MHMHBJRYSWPKMK-NSHDSACASA-N 304.371 2.006 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)N(C)CCN(C)C1CCN(C)CC1 69655792 ZFQGGUGRMMMYTQ-WBVHZDCISA-N 324.513 2.233 0 40 DEAB COc1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)cn1 32882625 UFXUXJBTDMFIJK-CQSZACIVSA-N 300.383 2.423 0 40 DEAB O=C1C[C@H](C(=O)N2CCCC[C@@H]2c2nccs2)CN1C1CC1 72285858 DQFLNUOTHKIIDF-WCQYABFASA-N 319.430 2.208 0 40 DEAB O=C(NCc1ccccc1)N1CCCN(C[C@@H]2CCCO2)CC1 47955112 CBXZGWIVLQCQST-KRWDZBQOSA-N 317.433 2.083 0 40 DEAB Cn1nc(C(C)(C)C)cc1NC(=O)CSc1nncs1 48872677 RIKJDABUUIDLCV-UHFFFAOYSA-N 311.436 2.300 0 40 DEAB O=C(OCc1ccccc1F)c1sccc1-n1cnnn1 58763783 ZDODKLSMCGGURV-UHFFFAOYSA-N 304.306 2.220 0 40 DEAB C[C@H](Sc1nncn1C)C(=O)N[C@H]1CCc2c(F)cccc21 56323470 CTXOFNKHUZQNLK-ZANVPECISA-N 320.393 2.239 0 40 DEAB CCS(=O)(=O)NCc1ccc([C@H](O)c2ccccc2)s1 585259475 RAERNRAQSXEVBE-CQSZACIVSA-N 311.428 2.269 0 40 DEAB O[C@@H](COCc1cccs1)Cn1cc(Br)cn1 95438761 UTUQFBQEHMZSSG-SNVBAGLBSA-N 317.208 2.285 0 40 DEAB COc1ccc(N2C[C@@H](C(=O)Nc3ccccn3)CC2=O)cc1 479455 IZQYYHGYLCJSID-LBPRGKRZSA-N 311.341 2.082 0 40 DEAB Cc1n[nH]c(C)c1CNC(=O)c1cnn(-c2ccc(F)cc2)c1 12196204 QJSGMSQSSUNPCK-UHFFFAOYSA-N 313.336 2.281 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)[C@H](C)Oc1ccc(Cl)cc1 18149440 WJLMGTGPWFANIN-QWRGUYRKSA-N 312.797 2.138 0 40 DEAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)NCc1ccccc1 102387548 LEGDVMXLPVDLSV-INIZCTEOSA-N 307.353 2.342 0 40 DEAB CCCCOC(=O)c1ccc(NC(=O)CSCCO)cc1 7198535 SEUWLBONDHTVKU-UHFFFAOYSA-N 311.403 2.308 0 40 DEAB COc1ccc(CNc2nnnn2-c2ccccc2)cc1OC 5937888 WWRNWVHSHBUFOO-UHFFFAOYSA-N 311.345 2.292 0 40 DEAB O=C(CSc1nnc2ccccn12)c1ccc2c(c1)OCO2 2890829 JWOWDHWRHREXHV-UHFFFAOYSA-N 313.338 2.433 0 40 DEAB CN1C(=O)Cc2cc(S(=O)(=O)N(C)c3ccccc3)ccc21 4751576 ZKDYEEKUVKENCR-UHFFFAOYSA-N 316.382 2.031 0 40 DEAB Cc1cnc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)nc1 1775973919 QEJXZFAKDBZJIA-UHFFFAOYSA-N 312.421 2.199 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)O 20730206 AIGAEQORXZBDIT-BMIGLBTASA-N 306.337 2.396 0 40 DEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cccs2)c1 63645 XLOZXTUDRBCWES-UHFFFAOYSA-N 311.384 2.500 0 40 DEAB CN(Cc1ccccc1Br)C(=O)C1(C(=O)O)CC1 50291563 DTECFCUZUXKNGD-UHFFFAOYSA-N 312.163 2.272 0 40 DEAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCO[C@@H]2CCC[C@@H]21 53382945 CHOMLOVTDJSWGU-DLBZAZTESA-N 311.385 2.195 0 40 DEAB O=S(=O)(NCCc1cccc(F)c1)N1CCCCCC1 23403109 JUVYXEDGZNHUCL-UHFFFAOYSA-N 300.399 2.079 0 40 DEAB Cc1cc(NC(=O)COc2ccc(Br)cc2)[nH]n1 47555408 PMOFJKCAIYVJQB-UHFFFAOYSA-N 310.151 2.498 0 40 DEAB CNC(=O)[C@H]1c2ccccc2-c2ccccc2CS1(=O)=O 1009377 MSOSRGKXOUYZDF-OAHLLOKOSA-N 301.367 2.069 0 40 DEAB Cc1cc(C)cc(C2(C(=O)N3CCC(C(N)=O)CC3)CCC2)c1 54858325 QTJOHGWODAPHPP-UHFFFAOYSA-N 314.429 2.449 0 40 DEAB Cc1cc(NC[C@H](C)Oc2cccc(F)c2)n2ncnc2n1 78456911 HYWDGTHAKYYYSI-NSHDSACASA-N 301.325 2.451 0 40 DEAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)NCCC(=O)N(C)C)C1 78951844 LVGHUHFQOMZARN-IUODEOHRSA-N 321.396 2.397 0 40 DEAB COc1cccc(C[C@H](C)NC(=O)N2CCOC(C)(C)C2)c1 79036588 ZRXJIONOBLGUAO-ZDUSSCGKSA-N 306.406 2.447 0 40 DEAB C[C@@H]1c2cc(F)ccc2CCN1C(=O)c1cc(C(N)=O)c[nH]1 79018381 SJSFWHGGICCMKP-SECBINFHSA-N 301.321 2.012 0 40 DEAB Cc1ccc(CNC(=O)NC[C@H](c2ccco2)N(C)C)cn1 43137353 JZIJRRFAOZYZIU-CQSZACIVSA-N 302.378 2.085 0 40 DEAB C[C@@H]1CN(C(=O)CNc2ccc3c(c2)C(=O)CCC3)C[C@@H](C)O1 79020589 VEGZJJGQHBDULB-CHWSQXEVSA-N 316.401 2.253 0 40 DEAB C[C@H]1CN(Cc2nc(COc3ccc(F)cc3)no2)[C@@H](C)CO1 106049718 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XMTJWRZJZQNOKE-UHFFFAOYSA-N 302.403 2.175 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)cc1C 58264053 YBRCIFFADDZLNY-NSHDSACASA-N 315.826 2.377 0 40 DEAB CC(=O)Nc1nc(CC(=O)Nc2cccc(C(C)=O)c2)cs1 9814700 ZAINBVXPHKIWCQ-UHFFFAOYSA-N 317.370 2.485 0 40 DEAB Cc1ccc(CN2CCC[C@@]3(CO[C@H](C(=O)N(C)C)C3)C2)o1 107732064 NMHRLHSWSBKWEE-RDJZCZTQSA-N 306.406 2.047 0 40 DEAB CN(C)c1ccnc(C(=O)Nc2c[nH]nc2-c2ccccn2)c1 97101829 NDDWTQFKGLHFLW-UHFFFAOYSA-N 308.345 2.185 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)N(CC(N)=O)C1CCCC1 58396920 DCMLHRRGXQYFGW-UHFFFAOYSA-N 309.435 2.445 0 40 DEAB Cn1cccc1[C@@H]1COCCN1C(=O)CSc1ccncc1 97144132 VVEGJSROVZVWJD-HNNXBMFYSA-N 317.414 2.112 0 40 DEAB CCOC(=O)[C@](NC(=O)CC)(Nc1ccccc1)C(F)(F)F 2257472 BGYZGYSWCLYBCS-CYBMUJFWSA-N 318.295 2.446 0 40 DEAB CCOc1coc(C(=O)NCCCc2ccccc2)cc1=O 23136918 AMROTDFOOONLOU-UHFFFAOYSA-N 301.342 2.401 0 40 DEAB CC[C@@H](COc1ccccc1)NS(=O)(=O)c1ccc(N)cc1 97375610 MOCZKRKXTDOHOE-AWEZNQCLSA-N 320.414 2.405 0 40 DEAB Cc1ccc(-c2cc(CN(C)[C@@H]3CCS(=O)(=O)C3)on2)cc1 29714670 ZRVWVFDXNVWMHC-CQSZACIVSA-N 320.414 2.269 0 40 DEAB Cc1ccccc1CNC(=O)CNC(=O)NCc1ccccc1 27105424 NMDGHUMHJGVNSG-UHFFFAOYSA-N 311.385 2.111 0 40 DEAB COc1ccccc1S(=O)(=O)NCCN(C(C)C)C(C)C 46704694 UILPFVBOLQPXQL-UHFFFAOYSA-N 314.451 2.092 0 40 DEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1cccs1 3260590 CCLREZWAWKFQOA-UHFFFAOYSA-N 319.338 2.330 0 40 DEAB COc1ccc(NC(=O)N2CCC[C@H](N3CCCC3)C2)cn1 48264367 PJQZPFZHNSLFOP-AWEZNQCLSA-N 304.394 2.182 0 40 DEAB O=C(c1ccc(Cl)o1)N1CCCN(C[C@@H]2CCCO2)CC1 65415733 QYTRBAJNDGMBEJ-LBPRGKRZSA-N 312.797 2.260 0 40 DEAB CCOc1ccccc1-c1cc(C(=O)NCCN(C)CC)n[nH]1 65407471 IJDHRVQSHKSOGE-UHFFFAOYSA-N 316.405 2.157 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cn1 14047494 NBXJDIYNYUEYEI-GFCCVEGCSA-N 315.304 2.294 0 40 DEAB COc1cc(OC)c(C(=O)OC[C@@H]2CCCCO2)cc1OC 65577520 KSNKQNIIQUIPQS-NSHDSACASA-N 310.346 2.438 0 40 DEAB O=C(NCC(F)(F)F)[C@H]1CCCN1Cc1ccc(F)cc1 65589274 QYHSPSKOXSDRPU-GFCCVEGCSA-N 304.287 2.469 0 40 DEAB CCc1ccc(NC(=O)CN(C)Cc2cnn(C)c2C)cc1 14192265 BYLPQEAJWKLNDR-UHFFFAOYSA-N 300.406 2.361 0 40 DEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1F 6543690 VTVDPMYLLHHVTE-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB O=C(CCC(=O)N1CCc2ccccc2C1)NCc1ccco1 4700191 QGDXCVSAGVQEJU-UHFFFAOYSA-N 312.369 2.261 0 40 DEAB CCc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1O)C(=O)N2 6719485 DRBBJQWGXDENHM-GOSISDBHSA-N 311.337 2.367 0 40 DEAB COc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1F 7495500 XKIYRADQQWBDIT-UHFFFAOYSA-N 318.329 2.489 0 40 DEAB C[C@@H](C(=O)N(C)C)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 7684276 KLCKUMOFHHKUHW-DZGCQCFKSA-N 318.417 2.462 0 40 DEAB CC(C)N1CCC[C@H](CNC(=O)CN2CCCCCCC2=O)C1 69035056 LWIOZUQELJRLEN-MRXNPFEDSA-N 323.481 2.016 0 40 DEAB C[C@@H]1CCCN(C(=O)CCN2C(=O)COc3ccccc32)CC1 71841910 NPLYVPSZZHFWHT-CQSZACIVSA-N 316.401 2.451 0 40 DEAB COC(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 8181284 CLSYDRLKNVKPCX-UHFFFAOYSA-N 313.309 2.132 0 40 DEAB Cc1noc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccco3)CC2)n1 71835030 HJZATTNUCSXPLL-STQMWFEESA-N 301.346 2.481 0 40 DEAB O=C(NC[C@@H]1CCCO1)C1CCN(Cc2ccc(F)cc2)CC1 8573243 BEEHJXFUYQZTJR-KRWDZBQOSA-N 320.408 2.333 0 40 DEAB CC1(C)[C@H](Cc2cc(CO)on2)C[C@@H]1NC(=O)C1CCCC1 67889925 ARRNOYHEPAVEQF-DOMZBBRYSA-N 306.406 2.431 0 40 DEAB biogenic,in-vitro Cc1c(Br)cccc1C(=O)NC[C@@H]1CCCNC1 88441950 CUXQHLNTATZHBG-LLVKDONJSA-N 311.223 2.487 0 40 DEAB Cc1cc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)oc1C 95983542 WRNDFSPJYLHHNU-CQSZACIVSA-N 317.389 2.460 0 40 DEAB O=S(=O)(c1cccc2cccnc12)N1CC2(C1)CC2(F)F 655618586 ZZRDLFJMXSGTGS-UHFFFAOYSA-N 310.325 2.265 0 40 DEAB CS(=O)(=O)N(CCCC(=O)N1CCCCC1)c1ccccc1 408623139 DDYFJHNWSZVPKH-UHFFFAOYSA-N 324.446 2.245 0 40 DEAB NC(=O)CCN1CCO[C@H](c2nc(-c3ccccc3)cs2)C1 65463386 RFANJLOMGCUNSN-AWEZNQCLSA-N 317.414 2.059 0 40 DEAB FC(F)(F)c1ccnc(NCCCOC[C@H]2CCOC2)n1 77229633 AJBXZDKIFQOUJD-SNVBAGLBSA-N 305.300 2.351 0 40 DEAB C[C@H]1CCCN(C(=O)COCC(=O)N2CCC[C@H](C)CC2)CC1 62928233 MOXYRBZFHBXSNH-HOTGVXAUSA-N 324.465 2.300 0 40 DEAB 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315.417 2.444 0 40 DEAB COC[C@@H](O)CNc1nc(-c2cc(Cl)cc(Cl)c2)no1 95407798 JGFOXAICUWIJTE-JTQLQIEISA-N 318.160 2.463 0 40 DEAB Cc1cccc(OC[C@H](C)NS(=O)(=O)c2ccc(N)cc2)c1 97375579 ABZDUYKHKDBIHM-ZDUSSCGKSA-N 320.414 2.323 0 40 DEAB Cc1noc(C)c1CNC(=O)N1CCCC[C@@H](N2CCCC2)C1 95953310 LADKTJJEFHLSAO-OAHLLOKOSA-N 320.437 2.451 0 40 DEAB CCc1cc(N(C)C[C@H](C)C(=O)OC)nc(-c2ccncc2)n1 96482655 JNFFKZLZNAVDNL-LBPRGKRZSA-N 314.389 2.346 0 40 DEAB O=C(c1ccno1)N1CCC(Oc2ccc(Cl)cn2)CC1 96102840 QBKVQZXVSXGJFP-UHFFFAOYSA-N 307.737 2.407 0 40 DEAB Cn1ncc2c1CN(Cc1ccncc1)C[C@@H]2COCC1CC1 96068275 UIHDMRAHQPXDQH-MRXNPFEDSA-N 312.417 2.341 0 40 DEAB CO[C@@H](CNC(=O)CN1CCCCC1=O)c1cccc(Cl)c1 96431916 SIDBFVMRYJGMNJ-AWEZNQCLSA-N 324.808 2.156 0 40 DEAB CCC(=O)N1CCC2(CC1)C[C@H](CC(N)=O)c1ccc(F)cc12 96241811 GIFAWBOYMOTBJA-LBPRGKRZSA-N 318.392 2.459 0 40 DEAB CCS(=O)(=O)C(Cl)(Cl)[C@@H](O)c1ccc(OC)cc1 96519685 BOHCFIGPMXWWPK-JTQLQIEISA-N 313.202 2.295 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)N3CCSCC3)CC(=O)N2C)cc1 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C[C@@H]1CN(C[C@@H]2CCCN2C(=O)Nc2cccnc2)C[C@@H](C)O1 58018418 UQYUOGNUHFSEGE-FMKPAKJESA-N 318.421 2.187 0 40 DEAB CSc1ncc(C(=O)N2CCOCC2)n1-c1ccc(F)cc1 27474367 RHXPJAJZTXNESI-UHFFFAOYSA-N 321.377 2.206 0 40 DEAB C[C@H]1CCCN(C(=O)CNc2ccc(Cl)cc2C(N)=O)C1 58162834 FCGPZBFVNMHWDC-JTQLQIEISA-N 309.797 2.109 0 40 DEAB O=C(/C=C/c1c(F)cccc1F)NCC(=O)Nc1cccnc1 58245011 LSFALCNMQSAXAJ-VOTSOKGWSA-N 317.295 2.128 0 40 DEAB O=C([C@H]1CCCO1)N1CCCN(Cc2ccccc2F)CC1 58307954 ICTFOSDIGMBBNE-MRXNPFEDSA-N 306.381 2.039 0 40 DEAB CNC(=O)CCCN(C)C(=O)c1c(C)noc1-c1ccccc1 97108273 STYDVXAOLAWRSS-UHFFFAOYSA-N 315.373 2.248 0 40 DEAB NC(=O)c1cnc(N2CCC(n3cccc3)CC2)c(Cl)c1 58554995 PAKZABHHAZXHAC-UHFFFAOYSA-N 304.781 2.477 0 40 DEAB NC(=O)N[C@H](CC(=O)N1CCCCCC1)c1ccccc1F 36392400 YNTRRNDJCCBREL-CQSZACIVSA-N 307.369 2.328 0 40 DEAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)[C@@H](C)N1CCSCC1 95445808 DOMPCZHTVFPBQQ-UONOGXRCSA-N 322.474 2.219 0 40 DEAB CN1CCC(N2CC[C@@H](N[C@@H]3CC(C)(C)OC3(C)C)C2)CC1 95422348 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Cc1nc2ccc(N[C@@H](C)C(=O)N3CCOCC3)cc2s1 9368677 GUCZMDHITGHKRQ-JTQLQIEISA-N 305.403 2.264 0 40 DEAB COC(=O)c1cc(CNC(=O)c2occc2C)ccc1OC 14023514 HNYLMTGHZSYBMD-UHFFFAOYSA-N 303.314 2.313 0 40 DEAB CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)nn2)CC1 95087038 LIAVYRCFGDUQSV-UHFFFAOYSA-N 312.801 2.183 0 40 DEAB COC(=O)[C@H](C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 66274289 NNSPBYNJJLHGFO-VIFPVBQESA-N 315.291 2.415 0 40 DEAB COc1ncccc1C(=O)NCCc1ccc(NC(C)=O)cc1 71799928 NRKRKSVQAIZURU-UHFFFAOYSA-N 313.357 2.021 0 40 DEAB CCCCN1C(=O)C[C@@H](Sc2ccccc2C(=O)O)C1=O 19862999 CSUOOXBTBJFALG-GFCCVEGCSA-N 307.371 2.405 0 40 DEAB CCOC1CCN(C(=O)NCC[S@@](=O)c2ccccc2)CC1 96408930 MGIWGUVFKHANOD-QFIPXVFZSA-N 324.446 2.005 0 40 DEAB Cc1n[nH]c(=S)n1NC(=O)c1cccc(Br)c1 9593720 UOWOEADZZBEYLP-UHFFFAOYSA-N 313.180 2.396 0 40 DEAB CCc1nc(CNC(=O)Cn2ccc(C(F)(F)F)n2)cs1 71886502 MMOROCLVZATWAE-UHFFFAOYSA-N 318.324 2.237 0 40 DEAB O=C(NCCc1cccc(F)c1)[C@H]1COc2ccccc2O1 7925211 MNPOORUPLZSIFY-MRXNPFEDSA-N 301.317 2.324 0 40 DEAB CCOc1nnc(CN2CCCC[C@H]2Cn2cccn2)s1 71875297 YQCGLAFVILRPHO-LBPRGKRZSA-N 307.423 2.188 0 40 DEAB O=C(CCOCC(F)(F)F)N1CCC[C@H](n2ccnc2)C1 70021795 HDGAZNCGEZTGEB-NSHDSACASA-N 305.300 2.016 0 40 DEAB CCn1cc(CN2CCCN(C(=O)[C@@H]3CC=CCC3)CC2)cn1 69491607 VCFALYKFXKSCPX-QGZVFWFLSA-N 316.449 2.294 0 40 DEAB Cc1cc(CNC(=O)CSCc2nc3ccccc3[nH]2)on1 69492787 FZTUBVIRWFHXSE-UHFFFAOYSA-N 316.386 2.409 0 40 DEAB Cc1cnn(C[C@H](C)N[C@@H](C)c2nc(=O)c3ccccc3[nH]2)c1 69571203 GSNPPOFKOXMBBS-STQMWFEESA-N 311.389 2.167 0 40 DEAB CON(C)C(=O)c1ccn(-c2cccc(Br)c2)n1 69590397 XBZOJPKZCZLYNA-UHFFFAOYSA-N 310.151 2.268 0 40 DEAB O=C(N[C@@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccco1 69780314 GLIMEQOUFRUCIH-CQSZACIVSA-N 310.313 2.113 0 40 DEAB Cc1ccc([C@H]2C[C@H]2C(=O)N2CCN(CC(C)(C)O)CC2)s1 69807897 BNWVUJBOMKMOKR-UONOGXRCSA-N 322.474 2.075 0 40 DEAB CCc1nnc(NC(=O)[C@@H]2Cc3ccc(C)cc3C(=O)O2)s1 8971296 AYHZHOVAIQJGLO-NSHDSACASA-N 317.370 2.129 0 40 DEAB Cc1nc([C@@H]2COCCN2c2ccnc(-c3ccccc3)n2)no1 95999723 CRNYQNYITGFVFA-AWEZNQCLSA-N 323.356 2.413 0 40 DEAB Cn1nncc1CN1CCN(CC(F)(F)F)c2ccccc21 97057633 OYRAPZAEVDHAEK-UHFFFAOYSA-N 311.311 2.204 0 40 DEAB C[C@]12C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@H]1[C@H]1C=C[C@H]2C12CC2 409331695 HISBZJKSYYUJBS-UHQDVWGKSA-N 323.348 2.477 0 40 DEAB Cc1[nH]nc2ncc(NS(=O)(=O)CCc3ccccc3)cc12 89267727 GRJJRHMAOZCDET-UHFFFAOYSA-N 316.386 2.251 0 40 DEAB COc1ccsc1C(=O)Nc1ccnn1C[C@H]1CCOC1 89484117 JSBBQYKKOFDNAS-SNVBAGLBSA-N 307.375 2.242 0 40 DEAB O=C([C@H]1C[C@H]1c1cccnc1)N1CCC(Nc2cccnn2)CC1 75129203 VKUFAXWWWBZTJH-HOTGVXAUSA-N 323.400 2.078 0 40 DEAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1csnn1 89774509 HBPGWOZODHKGBL-JTQLQIEISA-N 317.292 2.020 0 40 DEAB O=C(CCc1cccc(F)c1F)Nc1c[nH]nc1[C@@H]1CCNC1 1549732477 USELBHPGWKTKOV-LLVKDONJSA-N 320.343 2.336 0 40 DEAB COc1ccc(-n2nc(C(N)=O)nc2-c2ccc(C)cc2)cc1 408695373 QFNYRZXSUIUSJP-UHFFFAOYSA-N 308.341 2.350 0 40 DEAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(F)cc3[nH]cnc23)cn1 69875508 INXINBXGHUWZDC-AWEZNQCLSA-N 313.336 2.413 0 40 DEAB O=C(Nc1cnc(-c2ccccc2)s1)[C@@H]1C[C@@H]2OCC[C@@H]2N1 1553407014 FYBOVKPKWBPGQO-AVGNSLFASA-N 315.398 2.268 0 40 DEAB Cc1ccc(C(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1 408617954 BMUQLUHRVBWDIK-OSLXHZNNSA-N 307.349 2.188 0 40 DEAB O=C(O)[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 71405193 ICCVCQBJZHBQOZ-SFYZADRCSA-N 313.151 2.284 0 40 DEAB Cc1noc([C@H]2CCN(C(=O)Nc3cnn(C(C)C)c3)C2)n1 551935763 OIHUCVICYHDWMG-NSHDSACASA-N 304.354 2.177 0 40 DEAB CNc1cccc([C@H]2CCCN(C(=O)c3coc(C)n3)C2)n1 72364596 VVYAIXXXZJHUMT-LBPRGKRZSA-N 300.362 2.440 0 40 DEAB CCN(C(=O)[C@H](C)N)[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C 79391270 DOVPZTAIJAVTKW-RWMBFGLXSA-N 313.442 2.018 0 40 DEAB Cc1csc(-c2ccc(NC(=O)NCC(=O)N(C)C)cc2)n1 78394982 QWHHHNDKHLHAQV-UHFFFAOYSA-N 318.402 2.328 0 40 DEAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1ccc2[nH]nnc2c1 47189369 HLULUXCQDYZGAY-ABAIWWIYSA-N 302.378 2.283 0 40 DEAB CC[C@@H](C)[C@H](CO)NC(=O)c1ccc2ccn(CCOC)c2c1 575443545 OEHZKACLULQJSN-CJNGLKHVSA-N 318.417 2.425 0 40 DEAB CC(=O)NCCCOC(=O)c1cc(-c2ccc(C)cc2)no1 63965286 UZFWCPXWIWASIT-UHFFFAOYSA-N 302.330 2.333 0 40 DEAB COC(=O)c1cnc(-c2ccc(N3CCCC3)c(N)c2)nc1C 225404412 ZSTDPUIQBORXOH-UHFFFAOYSA-N 312.373 2.421 0 40 DEAB C[C@H](CNc1nccn2c(C3CC3)nnc12)CN1CCCC1 195575076 OMRIBXXVJUXDIV-GFCCVEGCSA-N 300.410 2.146 0 40 DEAB O=S(=O)(Cc1ccccc1F)NCCOCc1ccccc1 80799591 CWNZLSJHFORLMU-UHFFFAOYSA-N 323.389 2.462 0 40 DEAB CCc1nnc(NC(=O)[C@@H]2CN(C)C[C@@H]2c2ccccc2)s1 226751516 ARLNGPZTDFZTCS-CHWSQXEVSA-N 316.430 2.384 0 40 DEAB CCN(CC(=O)NCC(=O)O)Cc1ccc(Cl)c(Cl)c1 225568735 ZQBWNGSULXLSRD-UHFFFAOYSA-N 319.188 2.016 0 40 DEAB CCn1ccnc1[C@H](Nc1ncc(F)cn1)C1CCOCC1 577130631 IQBSQSONFJZGHD-CYBMUJFWSA-N 305.357 2.412 0 40 DEAB Cc1ccc(=O)n(Cc2ccn(-c3ccc(F)cc3F)n2)n1 192139913 BKQKYUKKZCZJPN-UHFFFAOYSA-N 302.284 2.064 0 40 DEAB O=C(c1cccs1)N1C[C@@H]2CN(Cc3ccccn3)C[C@H]2C1 96053829 CAUOMKYEGRQVSW-KBPBESRZSA-N 313.426 2.347 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cn1 96229693 UHYPTDBCTGEDRG-KRWDZBQOSA-N 301.390 2.007 0 40 DEAB O=C(CCc1ccc(Cl)s1)NC[C@]1(O)CCSC1 96446897 JYRDOTLCNOBCGU-GFCCVEGCSA-N 305.852 2.318 0 40 DEAB CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC1CC1 95419178 HUMINDYXMQZMLX-UHFFFAOYSA-N 321.402 2.157 0 40 DEAB C[C@@H](CNC(=O)N[C@H]1CCSC1)N(C)Cc1ccccc1 96440064 SMCBPMAJPKEPIC-ZFWWWQNUSA-N 307.463 2.312 0 40 DEAB CCOCc1cncc2c1CCN(C(=O)c1ccncc1F)C2 96189319 QDIAMGBUVZKDJK-UHFFFAOYSA-N 315.348 2.351 0 40 DEAB CC1(C)[C@H](NCCNC(=O)CC2CCCC2)[C@H]2CCCO[C@H]21 253370995 ZGPLZSQPINDOCW-DJIMGWMZSA-N 308.466 2.476 0 40 DEAB CCOC(=O)CN(C(=O)[C@@H]1CCCOC1)c1ccc(C)cc1 252497975 QSQXGRLTBPTXCH-CQSZACIVSA-N 305.374 2.318 0 40 DEAB O=c1n(CCC2OCCCO2)nc(-c2cccs2)n1C1CC1 90591203 OHBNESNEJCWKPF-UHFFFAOYSA-N 321.402 2.261 0 40 DEAB O=C(Nc1ccc2nn[nH]c2c1)c1ccn(Cc2ccccc2)n1 390834451 ZCFRFBZDGARGHX-UHFFFAOYSA-N 318.340 2.455 0 40 DEAB COCCOc1ccc(C(=O)N2CC[C@@H](OCC3CC3)C2)cc1 390828852 BYCNPTPUVLATSZ-QGZVFWFLSA-N 319.401 2.353 0 40 DEAB CC(=O)N1CCC2(CC1)OCC[C@H]2CCOc1cccnc1 585104107 GAXOSNNJHSOREP-OAHLLOKOSA-N 304.390 2.268 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC2(CC1)C[C@@H](N(C)C)CCO2 585102455 ULKLWERBOBXTSO-AWEZNQCLSA-N 321.421 2.007 0 40 DEAB CNc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2coc(C)n2)n1 72388470 IHOYPJHQBWLODF-MRXNPFEDSA-N 315.377 2.275 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1ccc(CNC(N)=O)cc1 48276600 HFLYCIZPSOPIBI-GFCCVEGCSA-N 315.373 2.199 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccsc1 73629433 GHDKSSHCRIWUAJ-CYBMUJFWSA-N 309.435 2.291 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)CCCCNC(N)=O 61046039 YFJAPHVTGNNXKH-UHFFFAOYSA-N 313.785 2.434 0 40 DEAB NC(=O)CN1CCC(NC2c3ccccc3-c3ccccc32)CC1 95949738 ISBGQNRAAYFGIR-UHFFFAOYSA-N 321.424 2.296 0 40 DEAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 11175697 VKXALIKSETVIJI-UHFFFAOYSA-N 322.317 2.369 0 40 DEAB COc1ccc2cc(C(=O)N[C@@H]3CCCN(C)C3)n(C)c2c1 12148350 ATRKBMWKNKHOJZ-CYBMUJFWSA-N 301.390 2.011 0 40 DEAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(C=O)CC1 14398584 VJIUSXHJBAGKRS-AWEZNQCLSA-N 318.417 2.052 0 40 DEAB C[C@@H]1CNCC[C@]1(O)Cc1cccc(F)c1Br 169181398 URLCDXIIWIEZBG-RNCFNFMXSA-N 302.187 2.491 0 40 DEAB Cc1ccc(N2CC(N(C)c3nc4ccccc4nc3C)C2)nn1 1888881791 XUNWJCYSCQLUBM-UHFFFAOYSA-N 320.400 2.362 0 40 DEAB C[C@@]1(C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)CC1(Cl)Cl 50445823 KOZRSNJVYDOUNW-ZANVPECISA-N 319.232 2.088 0 40 DEAB O=S(=O)(NC[C@@H]1CCCO1)c1cc(Cl)cc(Cl)c1 23993570 VJENHHSGXLBSSC-JTQLQIEISA-N 310.202 2.451 0 40 DEAB Cc1nc(CN2CCN(Cc3ccc(F)cc3F)[C@H](C)C2)no1 2086934468 HKRHNHVCUIZYAN-LLVKDONJSA-N 322.359 2.363 0 40 DEAB Cc1ccc2ncc(C(=O)N[C@@H](C)c3ccccc3)c(=O)n2c1 8604637 IYEZCSYDYHSCHH-ZDUSSCGKSA-N 307.353 2.494 0 40 DEAB CCCc1nc(CN(C)CC(=O)Nc2cc(C)on2)cs1 40105806 KVGOANMPSQWENH-UHFFFAOYSA-N 308.407 2.463 0 40 DEAB CC(=O)N1CCN(C(=O)Nc2cccc3c2CCCC3)CC1 40526157 HARXLLMNVNXZAM-UHFFFAOYSA-N 301.390 2.261 0 40 DEAB Cc1cc(C)c2c(N)c(C(=O)N3CCC[C@@H]3C(=O)O)sc2n1 32218518 ITJZBFQIKZAEDC-SECBINFHSA-N 319.386 2.185 0 40 DEAB Cc1cc(S(=O)(=O)N2CCO[C@@H]3CCCC[C@@H]32)ccc1F 41194995 JCZIFCHVUQCSDD-LSDHHAIUSA-N 313.394 2.466 0 40 DEAB COCC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1 32922994 FTFJUGAEVBGJPZ-STQMWFEESA-N 304.390 2.390 0 40 DEAB O=C(CNC(=O)c1ccccc1)Oc1ccc2ccc(=O)oc2c1 405954 XZBPJFHJIGDDMQ-UHFFFAOYSA-N 323.304 2.128 0 40 DEAB biogenic Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@H]1CCCO1 41448372 OCGFVMLABGZSTQ-CQSZACIVSA-N 300.358 2.488 0 40 DEAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccco1 22885525 GDUFFEMFXVZQJF-VIFPVBQESA-N 322.748 2.377 0 40 DEAB CCN(CC)[C@@H](CNC(=O)[C@H]1CCCO1)Cc1ccccc1 47508371 XMXFYRHXZPKAIO-IAGOWNOFSA-N 304.434 2.235 0 40 DEAB CCC(CC)NC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)NC(CC)CC 79067391 XNSZALWGGPPYFC-HUUCEWRRSA-N 310.438 2.191 0 40 DEAB COC[C@@H](C)NC(=O)c1noc2c1CCc1cc(OC)ccc1-2 2466034 VWZJDSZNSVLIET-SNVBAGLBSA-N 316.357 2.214 0 40 DEAB COCCN1C(=O)c2n[nH]c(-c3ccco3)c2[C@@H]1c1ccccn1 35170128 MKQWYMQHWDAREF-INIZCTEOSA-N 324.340 2.256 0 40 DEAB NC(=O)C1CCN(C(=O)N[C@H]2CCc3c(Cl)cccc32)CC1 56900363 VGYSDJUGTCXORV-AWEZNQCLSA-N 321.808 2.234 0 40 DEAB COC(=O)c1cn(-c2ccc(Cl)cc2)cc(C(=O)OC)c1=O 8730425 PAIZTKRZLOGFKB-UHFFFAOYSA-N 321.716 2.064 0 40 DEAB Cc1ccc(C(=O)N(C)Cc2nccn2CC(F)(F)F)cn1 57754877 KBWCHQQNVZPEHS-UHFFFAOYSA-N 312.295 2.421 0 40 DEAB Cc1ccccc1C(=O)N[C@H](C(=O)NC[C@H]1CCCO1)C(C)C 36022542 BLYTVNFKCAWBBL-ZBFHGGJFSA-N 318.417 2.045 0 40 DEAB Cc1cc(N)nc(SCC(=O)NCc2ccc(C)c(F)c2)n1 10350944 JSWHZSORGGVSHH-UHFFFAOYSA-N 320.393 2.223 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)cn1 58308893 OBABGPYQYMQHHZ-HLLBOEOZSA-N 317.433 2.104 0 40 DEAB C[C@@H](C(=O)N1CCCC1)S(=O)(=O)c1ccc2ccccc2n1 47939757 RLHRFBKDHXZVKB-LBPRGKRZSA-N 318.398 2.019 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)[C@H](C)CO1 45444944 PTNKZNCLQJIGEL-CPUCHLNUSA-N 319.401 2.494 0 40 DEAB CCS(=O)(=O)c1ccc(O)c(NC(=O)[C@H]2CC=CCC2)c1 28813317 CQHYXCBGKCPKAI-NSHDSACASA-N 309.387 2.481 0 40 DEAB C[C@@H]1C[C@H](CNS(=O)(=O)c2ccccc2Cl)CCO1 95457579 WNIZBTGGDCIOCY-GHMZBOCLSA-N 303.811 2.433 0 40 DEAB Cc1cc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)n(C)n1 46469206 UIBGHFHHBGCTAH-GFCCVEGCSA-N 304.398 2.161 0 40 DEAB Cc1noc(C)c1CN(C)S(=O)(=O)c1ccc(F)c(F)c1 46813504 SNXJVTNEULFAQU-UHFFFAOYSA-N 316.329 2.390 0 40 DEAB CNC(=O)NC(=O)CCSc1ccccc1Br 28988206 ZBADZRYRVLKHNZ-UHFFFAOYSA-N 317.208 2.387 0 40 DEAB COc1ccccc1CN(CCO)C(=O)Nc1ncc(C)s1 47350948 OWETUBNLVRHAJM-UHFFFAOYSA-N 321.402 2.487 0 40 DEAB O=C(NCCCn1ccnc1)[C@H]1COc2ccc(Cl)cc2C1 48299629 MYIWMQDSXZDZOX-CYBMUJFWSA-N 319.792 2.294 0 40 DEAB CN(Cc1ccc(Br)o1)C(=O)NCc1cc[nH]n1 48265241 KCJDYKBZBRMFIH-UHFFFAOYSA-N 313.155 2.107 0 40 DEAB COc1cccc(NC(=O)CCCNC(=O)c2ccco2)c1 12810329 WTUFSSPHEPGOSZ-UHFFFAOYSA-N 302.330 2.437 0 40 DEAB C[C@H]1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1 4105496 KGGWVTBTVJIWDQ-JTQLQIEISA-N 320.345 2.362 0 40 DEAB Clc1cccc(N2CCN(c3ncnc4n[nH]cc34)CC2)c1 4317665 LCGMENDABLGZBC-UHFFFAOYSA-N 314.780 2.333 0 40 DEAB O=C(COC(=O)c1n[nH]c2ccccc12)NCC1CCCCC1 6370933 ICOUNYSWQAQIEJ-UHFFFAOYSA-N 315.373 2.416 0 40 DEAB O=C(Nn1cnc2sccc2c1=O)c1ccc2ccccc2n1 14017123 XSUTUQOGDWMPAB-UHFFFAOYSA-N 322.349 2.390 0 40 DEAB CCONC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 14076137 RABCNSUJOLNCOU-UHFFFAOYSA-N 309.325 2.067 0 40 DEAB NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccc(F)cc1F 65565059 ZVIIAZNCDDFNAH-AWEZNQCLSA-N 319.311 2.183 0 40 DEAB C[C@H](Sc1nnnn1C1CC1)C(=O)N1CCc2ccccc21 14245445 LRMJCCRJXYZNNK-JTQLQIEISA-N 315.402 2.078 0 40 DEAB COC(=O)[C@H](NC(=O)Cc1coc2cc(OC)ccc12)C(C)C 9363936 ZDACRBJPNUTPKA-MRXNPFEDSA-N 319.357 2.298 0 40 DEAB Cc1nnc(NC(=O)CCCn2c(=O)oc3ccccc32)s1 14715284 QDPUMGVOYVIJEO-UHFFFAOYSA-N 318.358 2.173 0 40 DEAB Cn1nccc1C(=O)OCC(=O)Nc1cccc2ccccc12 4735000 JLJNXZKDXJIKQF-UHFFFAOYSA-N 309.325 2.369 0 40 DEAB Cc1nc(CC(=O)NC[C@@H](c2ccccc2)N(C)C)cs1 66992397 VHAUMFFXJHEACR-HNNXBMFYSA-N 303.431 2.413 0 40 DEAB Cn1ccc(NC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 67140740 PFMMSJLTKVOZRW-NSHDSACASA-N 308.382 2.148 0 40 DEAB CC(C)(C)c1cn2nc(N3CCN(C4CC4)CC3)sc2n1 67384050 KMYBGCBTOHUTCC-UHFFFAOYSA-N 305.451 2.373 0 40 DEAB Cc1nc(C)c(CCC(=O)N[C@H](C)c2ccc(F)cc2)c(=O)[nH]1 15565657 GYKKQMKBZMBSRP-SNVBAGLBSA-N 317.364 2.336 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)c3ccccc3O)C2)no1 67888523 XVHWKOSGYSPVIJ-LLVKDONJSA-N 301.346 2.357 0 40 DEAB CN(C)c1ccc(NC(=O)[C@@H]2CCCN2c2nccs2)nc1 71894165 UEHHXYJLYMHTCC-LBPRGKRZSA-N 317.418 2.212 0 40 DEAB O=C(c1csc(CCc2ccccc2)n1)N1CCOCC1 71884526 ANHFRTQXXTWUAK-UHFFFAOYSA-N 302.399 2.401 0 40 DEAB C[S@](=O)c1nncn1Cc1csc(-c2ccsc2)n1 71899917 FOESJBOGYFDQSA-LJQANCHMSA-N 310.429 2.249 0 40 DEAB C[C@@H](O)c1ccc(CNCc2cnc(N3CCCC3)nc2)cc1 71825329 ZYJIMONDSLRCOM-CQSZACIVSA-N 312.417 2.420 0 40 DEAB CCc1ncnc(N(C)Cc2nc3ccsc3c(=O)[nH]2)c1F 95944837 KEIRBJWIZBAVLQ-UHFFFAOYSA-N 319.365 2.113 0 40 DEAB Cc1ccc([C@@H]2[C@H](C(=O)O)CC(=O)N2Cc2c(C)noc2C)o1 69492351 MICKXOZQHJKKGO-ABAIWWIYSA-N 318.329 2.367 0 40 DEAB O=C(Nc1nnc(CC2CCCCC2)s1)[C@H]1COCCO1 69485788 KAWRLHBNGGZZRN-LLVKDONJSA-N 311.407 2.015 0 40 DEAB O=c1c2oc3ccccc3c2ncn1CCOC[C@@H]1CCCO1 71921913 HVBNWTAPPVHWRV-LBPRGKRZSA-N 314.341 2.338 0 40 DEAB CO[C@H](C(=O)NCCC(=O)N1CCCC[C@@H]1C)c1ccccc1 69532820 WSFPQWBMZCVAMH-YOEHRIQHSA-N 318.417 2.281 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCn1nc(C)cc1C 69510225 NAMHRIXGRZWQIP-IRXDYDNUSA-N 318.465 2.365 0 40 DEAB Cc1cccn2cc(CN3c4ccccc4C[C@H]3C(N)=O)nc12 69623108 GPIZAWRMUHZEOB-INIZCTEOSA-N 306.369 2.059 0 40 DEAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnnn1C)c1ccccc1 8508104 UJVPMIOHLQDVQQ-DGCLKSJQSA-N 319.434 2.348 0 40 DEAB C[C@@H](c1cccnc1)N1CCN(C[C@@H](O)c2ccccc2)CC1 69739709 JGCWZGKNRAHMEF-QFBILLFUSA-N 311.429 2.494 0 40 DEAB CC(C)(C)n1cc(CNCCNC(=O)Cc2ccccc2)cn1 69874959 UOVRMHFIVLEEFT-UHFFFAOYSA-N 314.433 2.087 0 40 DEAB Cc1cc(Br)ccc1CC(=O)NCc1ncc[nH]1 95995185 DJZFFXAKEUXEMZ-UHFFFAOYSA-N 308.179 2.340 0 40 DEAB CN(Cc1ccc(Cl)cc1)Cn1nc2ccccn2c1=O 9725769 QXCFIFKULBLWDI-UHFFFAOYSA-N 302.765 2.239 0 40 DEAB Cc1nc(C(C)C)sc1[C@H](C)N(C)S(=O)(=O)N(C)C 95975119 DVFZKYVDQXNPSD-JTQLQIEISA-N 305.469 2.374 0 40 DEAB Brc1ccc(N2CCC[C@H](Cn3ccnn3)C2)nc1 95973055 IHVPRYAZBXCCTK-NSHDSACASA-N 322.210 2.352 0 40 DEAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 97035357 LQKCIMHCIIJFPW-QJPTWQEYSA-N 309.312 2.392 0 40 DEAB COC(=O)CN1CCCN([C@H](C)c2nc3ccccc3o2)CC1 97047166 RISTYVJABLXXPK-CYBMUJFWSA-N 317.389 2.070 0 40 DEAB Cc1cccc(NCc2ccc(S(=O)(=O)N(C)C)cc2)n1 97163260 JZYDCHOEMCDDSJ-UHFFFAOYSA-N 305.403 2.252 0 40 DEAB COc1cccc(C(=O)N2CCOC[C@@H]2c2cccn2C)c1F 97144152 SFCGFIJXXXJOPM-CQSZACIVSA-N 318.348 2.387 0 40 DEAB O=C(Nc1ccc(O)c(Cl)c1)[C@H]1CCCN1c1ncccn1 97236635 XLOIOVKIYWBMGG-GFCCVEGCSA-N 318.764 2.443 0 40 DEAB CN(c1nc(CSc2nc3ncccn3n2)cs1)C1CC1 89365654 FEWHSALHFYBNAS-UHFFFAOYSA-N 318.431 2.472 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@H](NCc2ccc(Cl)nn2)C1 95083078 FFCVDGDOUZEKSQ-NSHDSACASA-N 312.801 2.229 0 40 DEAB CC(C)NC(=O)C1CCN(C(=O)CC[C@@H]2CCCCO2)CC1 84597522 WZZGLIAKHSYWBF-HNNXBMFYSA-N 310.438 2.099 0 40 DEAB O=S(=O)(Cc1ccn(-c2ccccc2)n1)CC1CCOCC1 75142054 ITXNGKRGINXZQS-UHFFFAOYSA-N 320.414 2.214 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)CCCc2ccccn2)no1 76043240 HGWFVIKDQBHZGA-CQSZACIVSA-N 300.362 2.459 0 40 DEAB COc1cc(/C=C/C(=O)N2C[C@H](C)O[C@@H](C)C2)cc(OC)c1 23199809 BTGHBNDZIUHWRA-AAAGKOELSA-N 305.374 2.353 0 40 DEAB CCOc1ccc(Nc2nc(N(C)C)nc(N(C)C)n2)cc1 27788815 CHAQHEGOPDMQNC-UHFFFAOYSA-N 302.382 2.146 0 40 DEAB O=C(CC1CC1)N1CC2(C1)OCC[C@@H]2COCc1ccncc1 306134408 NMLSLZCGBWJGIM-MRXNPFEDSA-N 316.401 2.016 0 40 DEAB Cc1cc(C)c(OC[C@@H](O)CN2C[C@@H](C)O[C@H](C)C2)c(C)c1 27531008 BMTCIIHNBMUGSX-ZACQAIPSSA-N 307.434 2.461 0 40 DEAB C[C@H](NC(=O)c1cc(-c2ccco2)[nH]n1)c1nnc2ccccn12 28499618 HOHHDWYPPIQJER-JTQLQIEISA-N 322.328 2.203 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)c(C)c1 409378097 NGYJWWBGCROARF-XJIUQZFPSA-N 301.342 2.286 0 40 DEAB C[C@H]1CCCC[C@@H]1CNC(=O)N[C@H]1CCO[C@@H]1c1nccn1C 509117451 KQENANXCVYEGID-XGUBFFRZSA-N 320.437 2.376 0 40 DEAB CCOc1ccc(/C=C/C(=O)NCCCC(=O)O)cc1OC 62714558 HOPQAFNOLWKPCU-VQHVLOKHSA-N 307.346 2.088 0 40 DEAB CC(C)N1C[C@H](C(=O)NCCOc2cccc(Cl)c2)CC1=O 36397939 YQBYETMHRUYIIJ-GFCCVEGCSA-N 324.808 2.092 0 40 DEAB Fc1ccc2ncnc(N3CCN(Cc4ccon4)CC3)c2c1 78451482 BQXYUFWDGIAVOA-UHFFFAOYSA-N 313.336 2.079 0 40 DEAB COC(=O)c1ccc(OC(C)=O)c(I)c1 39951771 IGELHTCKLVEYLF-UHFFFAOYSA-N 320.082 2.003 0 40 DEAB O=C(O)c1ccc(NS(=O)(=O)CCC2CCCC2)c(O)c1 569195019 LDEOHRCZQPWFPS-UHFFFAOYSA-N 313.375 2.412 0 40 DEAB C[C@]1(C(=O)Nc2cccnc2)Oc2ccc(Cl)cc2NC1=O 41548379 VMMOJGWDKPZAPJ-OAHLLOKOSA-N 317.732 2.463 0 40 DEAB COc1ccccc1-c1csc2ncc(C(=O)O)c(=O)n12 223177085 PRBYOFSTNONDNP-UHFFFAOYSA-N 302.311 2.130 0 40 DEAB CN1C(=O)[C@](O)(c2coc3ccccc3c2=O)c2ccccc21 96137021 RZJCHNRSWKOHLN-GOSISDBHSA-N 307.305 2.005 0 40 DEAB Cc1ccc(CN2CCC[C@]3(CO[C@@H](C(=O)N(C)C)C3)C2)o1 96048887 NMHRLHSWSBKWEE-NVXWUHKLSA-N 306.406 2.047 0 40 DEAB C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[C@@H](C)O1 97378861 CSYUIERJZHNKDN-XOSAIJSUSA-N 302.418 2.191 0 40 DEAB COCC(=O)N[C@H](C)c1onc(-c2ccc(F)cc2)c1C(=O)O 96296964 GNRUDHXXNMEJRX-MRVPVSSYSA-N 322.292 2.003 0 40 DEAB biogenic,in-vitro CCc1cnc(COc2ccc(S(=O)(=O)N(C)C)cc2)o1 96428875 VRZMRQNEEPXRKP-UHFFFAOYSA-N 310.375 2.066 0 40 DEAB C[C@H]1CN(C(=O)N[C@@H](C)[C@H]2CCCN(C3CCC3)C2)C[C@@H](C)O1 97237432 UAVZMHGNYYLGHI-FZKCQIBNSA-N 323.481 2.458 0 40 DEAB COC[C@H](O)CN1CCSC[C@@H]1c1ccc(Cl)cc1 96407792 YUQPEQAFOBFOBX-ZIAGYGMSSA-N 301.839 2.437 0 40 DEAB CCCCc1noc(CS(=O)(=O)Cc2nc(C)c(C)o2)n1 63974590 SRYXMVJXGXXPGE-UHFFFAOYSA-N 313.379 2.132 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)CCc3ccccc3F)CCO2)n1 257226215 FJRCAUPRIQFARC-OAHLLOKOSA-N 317.364 2.390 0 40 DEAB Cc1cn[nH]c1[C@@H]1COCCN1C(=O)c1ccc2ncccc2c1 257316934 VHPZDAVHAFLMJK-INIZCTEOSA-N 322.368 2.480 0 40 DEAB O=C(Cn1ccc2ccccc21)N[C@H]1CCN(c2ccccn2)C1 152969786 URNKBEKEGSNLDA-INIZCTEOSA-N 320.396 2.431 0 40 DEAB CNC(=O)[C@@]1(COC)CCCN1C(=O)Nc1c(C)cccc1C 585140467 FGGYGSVZADGLOV-KRWDZBQOSA-N 319.405 2.062 0 40 DEAB O=C(O)[C@H]1CC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1 34916311 QJBGSSWLBRLZIT-VIFPVBQESA-N 303.236 2.018 0 40 DEAB CCCOc1cccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 61649218 MUFBEPFNUIRUHM-DOTOQJQBSA-N 318.417 2.068 0 40 DEAB Fc1ccc(-n2ccc(CN3CCN(C4CC4)CC3)n2)cc1 75673777 OXAZIEPUZZOCLJ-UHFFFAOYSA-N 300.381 2.291 0 40 DEAB O=C(N[C@H]1CC[S@@](=O)C1)c1cc(-c2cccc(Cl)c2)no1 78963641 CHRVCGMKIBATFL-MQJDWESPSA-N 324.789 2.246 0 40 DEAB Cc1cc(N2CCN(CC3(O)CCCC3)CC2)nc(C(C)C)n1 78970903 HVSFMOHZHWMRDH-UHFFFAOYSA-N 318.465 2.336 0 40 DEAB CCc1sc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C 83817505 FOBJNZRNOKIXBB-KGLIPLIRSA-N 322.474 2.290 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)CCCn3ccnc3C)C2)n[nH]1 89598981 XMEJGGALTFTTQJ-HNNXBMFYSA-N 315.421 2.409 0 40 DEAB CO[C@]1(COc2ccccc2C)CCN(Cc2cncn2C)C1 1615142745 ITGWULYITAMCRC-GOSISDBHSA-N 315.417 2.398 0 40 DEAB Cc1nccn1C[C@H](C)C(=O)N[C@@H](C)CN1CCCCCC1 19287742 ZFUQJLBEIJNEON-GJZGRUSLSA-N 306.454 2.208 0 40 DEAB CC(=O)NCC[C@H]1CCCCN1C(=O)c1sc(C)nc1C 19748990 KCJMDNUKYYWJKA-CYBMUJFWSA-N 309.435 2.281 0 40 DEAB COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1 169293738 KLUOKEFZKFKDQD-FIXIBIHLSA-N 311.337 2.175 0 40 DEAB CC[C@@H](O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2Cl)C1=O 156741342 MAQYPYLLHOZZHE-OTYXRUKQSA-N 314.744 2.017 0 40 DEAB COC(=O)c1ccc(Cn2ccnc2[C@H](O)c2ccccc2)o1 154754096 UDQPXVFRRBJGTD-OAHLLOKOSA-N 312.325 2.393 0 40 DEAB Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)[nH]n1 9117200 SEILHGIDZNWESO-UHFFFAOYSA-N 304.781 2.334 0 40 DEAB COCCOc1cccc(C(=O)N(C)[C@H](C)c2nc(C)no2)c1 563372810 VPQVJSLQZNBPBY-LLVKDONJSA-N 319.361 2.236 0 40 DEAB Cn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1C(F)(F)F 11676581 PWCKZZPGNODFCZ-MRVPVSSYSA-N 316.308 2.153 0 40 DEAB COC(=O)c1ccc2c(c1)CCN2C(=O)Cc1c(C)noc1C 25182580 MBQAVOYHGBNTRQ-UHFFFAOYSA-N 314.341 2.210 0 40 DEAB O=C(/C=C/c1cccs1)N1CC[C@@H](O)[C@@H]1Cc1ccncc1 1614938596 NWPZYGGRAMDELC-MEGKRXCUSA-N 314.410 2.361 0 40 DEAB COCc1nn(CC2CC2)c2c1CN(C(=O)C1(F)CCC1)CC2 1565545714 LNEAQZCMHVDGRS-UHFFFAOYSA-N 321.396 2.216 0 40 DEAB CNC(=O)c1ccsc1NC(=O)c1ccc(N(C)C)cc1 4190543 IFXFQFOPJDAETN-UHFFFAOYSA-N 303.387 2.426 0 40 DEAB Cc1cc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)nn1C 11693816 GZODITXYYXNXAB-AATRIKPKSA-N 315.358 2.492 0 40 DEAB COCCN1CC[C@@]2(CN(C(C)C)C[C@@H]2c2ccccc2)C1=O 2055773097 VTUZILDSSZXFPR-MJGOQNOKSA-N 316.445 2.359 0 40 DEAB O[C@H]1CCN(C2CCN(c3ncc(Cl)cc3Cl)CC2)C1 664601056 NPEJBTSVSDXVED-LBPRGKRZSA-N 316.232 2.424 0 40 DEAB CC(=O)Nc1nc(C(=O)NCc2cc(F)cc(F)c2)cs1 30872061 MYLQHEVIAFAFIB-UHFFFAOYSA-N 311.313 2.310 0 40 DEAB C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(NC(=O)C2CC2)cc1 31393879 QSBMPGASBZJLGL-XHDPSFHLSA-N 302.374 2.391 0 40 DEAB CCNS(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 100920782 QKVLBDTVSNTDJH-HUBLWGQQSA-N 320.414 2.136 0 40 DEAB O=C1CC2(CCCC2)C(=O)N1C[C@H](O)c1ccc(F)cc1F 51261220 MLUSNQBFSQGNRR-ZDUSSCGKSA-N 309.312 2.318 0 40 DEAB COc1ccccc1CC(=O)NCCc1cn2ccccc2n1 21135900 JWPRXIPFARYVDT-UHFFFAOYSA-N 309.369 2.244 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)C1 41128661 WRRWRUUICPDRPV-YOLVWIGZSA-N 313.184 2.340 0 40 DEAB COC(=O)Cc1csc(NC(=O)COC2CCCCC2)n1 52777096 BGDGSVWGOIHPJR-UHFFFAOYSA-N 312.391 2.146 0 40 DEAB CCOC(=O)N(C)c1ccc(NC(=O)N2CCC[C@H](O)C2)cc1 54529419 NXOJHNTVQIBMPT-AWEZNQCLSA-N 321.377 2.268 0 40 DEAB COc1cc2c(nn1)CCN(Cc1ncc(C(C)(C)C)o1)C2 84284661 YPEKHOMAVWBLHY-UHFFFAOYSA-N 302.378 2.329 0 40 DEAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@@H](C)c1nc(C)no1 84736190 VBQPMKVHVFXMFV-YUTCNCBUSA-N 308.426 2.312 0 40 DEAB Cc1ccc(C(=O)NCCNC(=O)NC(C2CC2)C2CC2)cc1 78806292 PINGYVCPEUGYRV-UHFFFAOYSA-N 315.417 2.213 0 40 DEAB CCOc1ccc(C(=O)C2CCN(C(=S)NC)CC2)cc1 1336739 QLGAGCBUHBGXJY-UHFFFAOYSA-N 306.431 2.484 0 40 DEAB C[C@H]1CCCN(CC(=O)Nc2ccccc2N2CCOCC2)C1 3564832 YONHRQBVDKXPQW-HNNXBMFYSA-N 317.433 2.194 0 40 DEAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H]2CCN(C(C)C)C2)c1 106159004 FZXJHZVYERREGZ-GOEBONIOSA-N 318.417 2.255 0 40 DEAB CCOC(=O)N1N=C(C)C[C@]1(O)C(F)(F)OC(F)(F)F 6401789 DDQGUSVTDYSZIL-ZETCQYMHSA-N 306.187 2.042 0 40 DEAB COC(=O)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 6453264 DBKOQWZWFBEQSX-IFFSRLJSSA-N 323.370 2.220 0 40 DEAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cccn2C)c(F)c1 7046090 YJQQZYHISQCBNX-UHFFFAOYSA-N 318.304 2.162 0 40 DEAB CCc1nnc(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)O)o1 7508206 ZKZKBQTZDONTOR-ALCCZGGFSA-N 311.275 2.351 0 40 DEAB COC(=O)c1ccc(OCC(=O)NCc2ccccc2F)cc1 7897503 WIMQDNWZGLHCRR-UHFFFAOYSA-N 317.316 2.308 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CCCN1CC(=O)N[C@H](C)C1CC1 106929785 NHSLQFXTHCLIRK-ABAIWWIYSA-N 304.438 2.089 0 40 DEAB CN1CCN(c2ccc(NC(=O)Cc3ccsc3)cn2)CC1 25325266 XKBTYMQTKZYGJN-UHFFFAOYSA-N 316.430 2.076 0 40 DEAB CC(C)(C)NC(=O)COC(=O)c1c[nH]nc1-c1ccccc1 12520617 TUOGCEMQDDZAEB-UHFFFAOYSA-N 301.346 2.148 0 40 DEAB O=C(O)[C@H](CO)Nc1ncnc2sc(-c3ccccc3)cc12 57791435 MBNNUXAKQYVCRH-NSHDSACASA-N 315.354 2.216 0 40 DEAB CCOC(=O)[C@]1(O)CC(CC)=NN1C(=O)c1cccc(Cl)c1 59488941 ALWWFCAOHPBMNV-OAHLLOKOSA-N 324.764 2.204 0 40 DEAB O=S(=O)(NC1[C@@H]2CCCC[C@@H]12)c1cccc2nsnc12 100768642 XYVBJSZGPDKUQY-RKDXNWHRSA-N 309.416 2.158 0 40 DEAB CCCCSc1nnc(S[C@@H](C)C(=O)NC(N)=O)s1 9500593 UBLKQMJNKSQSEH-LURJTMIESA-N 320.465 2.106 0 40 DEAB COc1ccc(C)cc1C(=O)CN1C(=O)NC2(CCCC2)C1=O 58292732 NAHUKVIJEXZDLV-UHFFFAOYSA-N 316.357 2.051 0 40 DEAB CC(C)C(=O)N[C@H]1CCCN(C(=O)c2cccc(N(C)C)c2)C1 58218887 UGUYRKVJBMBWOK-HNNXBMFYSA-N 317.433 2.129 0 40 DEAB COc1ccccc1-c1nc(C(=O)Nc2ncn[nH]2)cs1 58282341 QKQUPGMVKVBUEC-UHFFFAOYSA-N 301.331 2.189 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)Cn2cccn2)on1 44969754 DSCJJTOIHDEAEY-CHWSQXEVSA-N 303.366 2.115 0 40 DEAB CC(C)N(C)C[C@H]1CO[C@]2(COCCN(Cc3ccoc3)C2)C1 107795330 LHKOVAGIXXAADK-ZWKOTPCHSA-N 322.449 2.227 0 40 DEAB COc1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1F 58393810 KVGXROQKDXJCEG-UHFFFAOYSA-N 309.341 2.015 0 40 DEAB Cn1cccc1[C@@H]1COCCN1Cc1ncn(-c2ccccc2)n1 97103531 XJPIMVQMHRXFOF-KRWDZBQOSA-N 323.400 2.179 0 40 DEAB Cc1cc(S(=O)(=O)N[C@@H](C)c2cnn(C)c2C)c(C)s1 26829886 VVRRMQBFUZCVJF-VIFPVBQESA-N 313.448 2.446 0 40 DEAB COc1ccc(CNC(=O)c2sc(=S)n(C)c2N)cc1 2402393 YAAGGZZFMFISRW-UHFFFAOYSA-N 309.416 2.337 0 40 DEAB CC(C)(CO)NC[C@@H](O)CCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 102579312 NMPWWLKZCVZQAN-BASYENTBSA-N 313.482 2.329 0 40 DEAB CCN(CC)C(=O)CN1CCCN(Cc2cccc(F)c2)CC1 46598346 FPULRBAKTPVONE-UHFFFAOYSA-N 321.440 2.202 0 40 DEAB CCCn1nc(C)c(C(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1C 95447861 SKXPXCDAPVFSHB-NVXWUHKLSA-N 313.401 2.298 0 40 DEAB CN(C)C(=O)CNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 48237893 HYQJGNMZOIOYHD-UHFFFAOYSA-N 313.401 2.255 0 40 DEAB CC(=O)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1 21596481 BPPFBJIEWWLBRS-UHFFFAOYSA-N 311.370 2.253 0 40 DEAB O=C(NC1(c2ccccc2)CCC1)c1ccc(-n2ccnc2)nn1 65474484 XLXZQHZJPGLLTR-UHFFFAOYSA-N 319.368 2.472 0 40 DEAB C[C@H](Oc1ccc2ccc(=O)oc2c1)C(=O)NCc1ccncc1 5322854 DKUZDDXNHDEGOB-LBPRGKRZSA-N 324.336 2.272 0 40 DEAB biogenic CN1CCO[C@@H](CNCc2csc(-c3cccs3)n2)C1 65615052 UDEVWDSIIYNTSB-LBPRGKRZSA-N 309.460 2.292 0 40 DEAB CS(=O)(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 97233634 LUMCOBDKNXJRQJ-MRVPVSSYSA-N 319.251 2.441 0 40 DEAB CCNC(=O)NC1CCC(OC(=O)c2c(C)noc2C)CC1 66537971 DQIDBFLWERCWJX-UHFFFAOYSA-N 309.366 2.079 0 40 DEAB C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1ccccc1 6848303 WYEFFCZWDVLIFG-JTQLQIEISA-N 321.354 2.130 0 40 DEAB CCN(C)CCNC(=O)Cc1nc(-c2cccs2)oc1C 66958671 DWFKLNBTIDUCQS-UHFFFAOYSA-N 307.419 2.322 0 40 DEAB Cc1noc(C)c1CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 9442705 JDLSDQPPCQMREQ-KRWDZBQOSA-N 311.341 2.185 0 40 DEAB Cc1ccccc1OC[C@@H](C)NC(=O)c1ccc2nncn2c1 71851035 KLQDGNNFMAXMIS-CYBMUJFWSA-N 310.357 2.235 0 40 DEAB c1cc(CN2CCCC[C@@H]2Cn2cncn2)c2c(c1)OCCO2 71876424 JITJLIHAMJICED-OAHLLOKOSA-N 314.389 2.104 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1cc(-c2ccccc2)no1 71829590 YANKAAKSYAJQOS-WCQYABFASA-N 313.357 2.068 0 40 DEAB CC(=O)Nc1ccc(C(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 16443764 KYJJVNVQYKQHRD-XQQFMLRXSA-N 304.390 2.325 0 40 DEAB CCc1noc(C)c1C(=O)N1c2ccccc2C[C@@H]1C(=O)OC 71857407 JRJCIGYXLDGKBH-CQSZACIVSA-N 314.341 2.290 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN2Cc2cn3ccccc3n2)n1 69491613 QFKSMOWHCLSSDL-MRXNPFEDSA-N 310.405 2.207 0 40 DEAB O=C(NCc1nncn1C1CC1)c1cccc(Br)c1 69620312 KEBNAJNTMOQMIO-UHFFFAOYSA-N 321.178 2.306 0 40 DEAB Cc1cccn2cc(CC(=O)N3CCC[C@H](n4ccnc4)C3)nc12 69661870 KRQDNNIGGFLGHN-INIZCTEOSA-N 323.400 2.245 0 40 DEAB CCOCC(=O)N(CC(=O)N1CCCCC1)c1cccc(C)c1 69706201 HWOVHCLISMZZNB-UHFFFAOYSA-N 318.417 2.377 0 40 DEAB Cc1ccc(CNC(=O)CN2CCC[C@H]2Cn2cccn2)s1 69893182 BOXPHFNPALADEZ-AWEZNQCLSA-N 318.446 2.034 0 40 DEAB COC(=O)c1cnc(NC(=O)Cc2ccccc2OC)s1 8984865 YLAJWNPIEDXKFR-UHFFFAOYSA-N 306.343 2.120 0 40 DEAB COC(=O)c1ccc(NC(=O)c2c(C)cc(C)[nH]c2=O)cc1 8940941 SLUKMQKCRROORV-UHFFFAOYSA-N 300.314 2.031 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@@H](c3noc(C)n3)C2)cs1 72231744 MQEGOMJTJAEHJL-LLVKDONJSA-N 320.418 2.346 0 40 DEAB CCONC(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1 73084006 FEXGVGFWUVZIGF-LLVKDONJSA-N 309.757 2.012 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)COCc3ccccc3)C2)no1 72231960 XGDLJXOMRZIKNN-OAHLLOKOSA-N 315.373 2.301 0 40 DEAB Cc1ccc([C@@H]2CCCN2S(=O)(=O)c2cn(C)c(C)n2)o1 72286621 ABRQBRICOYMCLN-LBPRGKRZSA-N 309.391 2.156 0 40 DEAB CC(C)(C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 72269146 XENJAMUDHZGBDS-IAGOWNOFSA-N 316.445 2.022 0 40 DEAB COc1ccc(C(=O)Nc2cc(-c3sccc3C)n[nH]2)nn1 95960684 DZVOUPKXTADUEL-UHFFFAOYSA-N 315.358 2.498 0 40 DEAB Cc1ccccc1-n1nccc1NC(=O)N[C@@H](C)[C@H](C)CO 95984922 LDAOQRIKWFBIMR-OLZOCXBDSA-N 302.378 2.319 0 40 DEAB COc1ccc(C)cc1[C@H](C)NC(=O)N(C)C[C@H](O)C1CC1 89612018 UJJNOSGEWITYGZ-WFASDCNBSA-N 306.406 2.477 0 40 DEAB NC(=O)C[C@@H]1CCCCN1c1ncnc2cc(F)c(F)cc12 89764957 ZTDKJBXUGZNQAF-VIFPVBQESA-N 306.316 2.142 0 40 DEAB O=C(Nc1ccc(F)cc1)C1CCN(c2ncccn2)CC1 35290273 GLVPCZJSKPVQGM-UHFFFAOYSA-N 300.337 2.471 0 40 DEAB Cc1ccn(C)c(=O)c1NC(=O)Cc1cc2ccccc2c(O)n1 1566211138 XUXZOJBRXJOGGZ-UHFFFAOYSA-N 323.352 2.129 0 40 DEAB CN1CCC(NC(=O)c2nc3ccccc3nc2C2CC2)CC1 562512715 VUKOJNSWXFOCDP-UHFFFAOYSA-N 310.401 2.331 0 40 DEAB Cc1ccsc1CNC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 78913561 QAFKOENGUSFMQR-NSHDSACASA-N 309.435 2.255 0 40 DEAB CCCS(=O)(=O)N(C)Cc1nc(C(F)(F)F)cs1 72720710 KGHOVDONCOSQDC-UHFFFAOYSA-N 302.343 2.334 0 40 DEAB O=S(=O)(NC[C@@H](O)c1ccoc1)c1cccc2ccccc12 75171863 AMGDPMXUFQQCDI-OAHLLOKOSA-N 317.366 2.445 0 40 DEAB CC(C)(Br)C(=O)Nc1ccc(OCC(=O)O)cc1 225593886 PTVLOSSXOZNGHO-UHFFFAOYSA-N 316.151 2.262 0 40 DEAB COC(=O)c1cc(NC(=O)c2cc(C)ncn2)cc2[nH]ccc12 574582727 QNEJQTTUJVAOCI-UHFFFAOYSA-N 310.313 2.305 0 40 DEAB COC(=O)[C@@H](CC(C)C)NC(=O)[C@H](C)Oc1ccc(OC)cc1 40039274 VVIOPULUJOTQLA-SWLSCSKDSA-N 323.389 2.166 0 40 DEAB Cc1ncsc1C(=O)N[C@@H]1c2ccccc2CC[C@@H]1CO 225390601 GGIONSVYYLCIRN-OCCSQVGLSA-N 302.399 2.477 0 40 DEAB CCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O 40114107 BOOSLTILJBWMBM-KRWDZBQOSA-N 317.389 2.298 0 40 DEAB O=C(Cn1cc(COc2ccccc2F)nn1)NC1CCCC1 227168022 WXACCBQNSTTYTG-UHFFFAOYSA-N 318.352 2.055 0 40 DEAB CN(C)c1ccnc(CNC(=O)Nc2cc(F)cc(F)c2)n1 224194000 LSCGOJJISGMOCJ-UHFFFAOYSA-N 307.304 2.143 0 40 DEAB COc1cccc(CN(C)C(=O)[C@H]2CCC(=O)c3cccn32)n1 575603087 JUNVDFWBZUIRJH-CQSZACIVSA-N 313.357 2.068 0 40 DEAB COc1cn(CC(=O)NCCC2=CCCCC2)c(C)cc1=O 95476982 ZCVLNEIVBKHGKG-UHFFFAOYSA-N 304.390 2.172 0 40 DEAB CSC(C)(C)CNC(=O)NCCc1nc(C(C)C)no1 96440055 BRZMWZQGEJQYIC-UHFFFAOYSA-N 300.428 2.176 0 40 DEAB CC[C@@H](CNC(=O)c1cc(C)n(C)n1)Oc1ccccc1F 96451708 GJXCPUIVKXFXEN-LBPRGKRZSA-N 305.353 2.455 0 40 DEAB FC1(F)CCN(CC2CC2)C[C@]12CCN(c1ncccn1)C2 96239700 NDHDKBKKUJDLJW-HNNXBMFYSA-N 308.376 2.424 0 40 DEAB C[C@H]1CN(c2ccccc2F)CCN1CCN1CCOC[C@H]1C 249504432 HNHNILZCPDSYKM-JKSUJKDBSA-N 321.440 2.057 0 40 DEAB CN(C)Cc1cnn(-c2ccccc2C(=O)NCc2ccco2)c1 257309273 UAHLYXRHDCVKGW-UHFFFAOYSA-N 324.384 2.457 0 40 DEAB CO[C@@H]1CC[C@H]2N(C(=O)CCn3nccc3C)CC[C@@]2(C)C1 257314236 UVZHESGFJVOTTK-INMHGKMJSA-N 305.422 2.388 0 40 DEAB Cc1nc[nH]c1CN1CC[C@](C)(O)[C@@H](Oc2ccccc2)C1 257261448 LHIQDHYFRLOSKL-IRXDYDNUSA-N 301.390 2.122 0 40 DEAB CCn1ncc(S(=O)(=O)Nc2ccc(C)c(F)c2)c1F 253402760 OQMMSCIZUNUNBU-UHFFFAOYSA-N 301.318 2.290 0 40 DEAB COc1cccc([C@H](O)CNc2cc(N3CCCC3)ncn2)c1 277327490 DUTYZAMBHCTWSA-OAHLLOKOSA-N 314.389 2.231 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1coc(-c3ccccc3)n1)CC2 69952222 TVNDYFWHEHUGJK-CQSZACIVSA-N 309.373 2.346 0 40 DEAB COc1c(C)cnc(CN2CCn3c(nnc3C(C)C)C2)c1C 69967219 JASMIUOBDGPWGE-UHFFFAOYSA-N 315.421 2.438 0 40 DEAB CCn1c(C)cc(C(=O)O[C@@H](C)C(=O)Nc2ncccn2)c1C 71793267 OKXVMZWZRORDQV-LBPRGKRZSA-N 316.361 2.099 0 40 DEAB Cc1noc(C)c1CC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O 47502468 QPTFBNSTWVSCRF-UHFFFAOYSA-N 315.251 2.180 0 40 DEAB CC(C)Nc1ncccc1C(=O)Nc1ccc2nc[nH]c(=O)c2c1 73125812 MOYOFKADXHVLEW-UHFFFAOYSA-N 323.356 2.391 0 40 DEAB CCn1cnnc1CNC(=O)N(C)[C@H](C)c1cc(F)ccc1F 56402157 MRPRHCAKCLPGBF-SNVBAGLBSA-N 323.347 2.479 0 40 DEAB Cc1cc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)no1 60058908 QUZQZWRYUFZNGQ-LBPRGKRZSA-N 308.407 2.147 0 40 DEAB CCN(C)Cc1cccc(CNC(=O)NC[C@@H]2CCCO2)c1 62473323 XFNLQLCTNMTZEY-INIZCTEOSA-N 305.422 2.117 0 40 DEAB C[C@@H]1CCc2sc(C(=O)NCCCn3cncn3)cc2C1 41862490 VTSPOMNLPQFKBX-LLVKDONJSA-N 304.419 2.285 0 40 DEAB CN1C[C@@H](C(=O)NCc2ccccn2)[C@@H]2COc3ccccc3[C@@H]21 1772595838 NSMIFFSLGQEGQN-RYRKJORJSA-N 323.396 2.009 0 40 DEAB COc1ccc(S(=O)(=O)NCCCOCC(C)C)cc1 12553196 OAMWDBFHBDAZES-UHFFFAOYSA-N 301.408 2.036 0 40 DEAB CCNC(=O)[C@@H](CC)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714004 YZARPNVRPALYOT-GFCCVEGCSA-N 318.826 2.021 0 40 DEAB COC(=O)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1 15324757 AOGXXBPGITZVLE-UHFFFAOYSA-N 311.403 2.474 0 40 DEAB O=C(C1CCOCC1)N1Cc2nccn2C[C@@H]1c1ccccc1 1848356851 IITZBSLBDVHMSJ-MRXNPFEDSA-N 311.385 2.393 0 40 DEAB CCOc1cc2c(cc1CNC(=O)c1cnn(C)c1)O[C@@H](C)C2 8273704 CHNASWUTKKXALM-NSHDSACASA-N 315.373 2.072 0 40 DEAB CCOc1ncccc1CNC(=O)c1ncnc2c1CCCC2 1888853572 GMLFTNRKHAXFPA-UHFFFAOYSA-N 312.373 2.079 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)NCCc1cccc(F)c1 23696246 CMWAPRIRSPGFDV-UHFFFAOYSA-N 321.373 2.202 0 40 DEAB CC(C)Oc1ccc([C@H]2CN(C=O)CCN2C(=O)C2CC2)cc1 2037599350 UTDRRMRCVLITKJ-QGZVFWFLSA-N 316.401 2.226 0 40 DEAB CC[C@@]1(C)Cc2c(sc3nc(NN)n(C)c(=O)c23)CS1 1252997 VDCQXBVOETXZKI-ZDUSSCGKSA-N 310.448 2.239 0 40 DEAB Cc1cc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)nn1C 12443010 IHVXTZXELUKFSF-CMDGGOBGSA-N 309.329 2.430 0 40 DEAB O=C(NCc1ccccc1)c1c(O)c2sccc2[nH]c1=O 49409550 VUPKPODSIBPFQG-UHFFFAOYSA-N 300.339 2.225 0 40 DEAB CN(C)c1ccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)cn1 40510863 YQVMLWJXKGYMRZ-LBPRGKRZSA-N 302.205 2.348 0 40 DEAB Cc1cc(C(=O)NC[C@H](C)N2CCc3sccc3C2)on1 31962952 AJDNFAVPLIOOMG-NSHDSACASA-N 305.403 2.221 0 40 DEAB COc1cccc(N(C)S(=O)(=O)c2ccc(F)cc2C)n1 32759230 DFDLGDYPLXOVHV-UHFFFAOYSA-N 310.350 2.363 0 40 DEAB O=C(Cn1nnc2ccccc21)N[C@@H]1CCOc2ccccc21 32722143 WPRMXOOXJDSDLG-CYBMUJFWSA-N 308.341 2.071 0 40 DEAB O=c1c2ccccc2nnn1Cc1ccc(-n2cccn2)cc1 21583005 DWKJPYASJOYNPB-UHFFFAOYSA-N 303.325 2.026 0 40 DEAB COCCn1cnnc1S[C@H](C)c1nc(-c2ccco2)no1 32809257 BZTWGNAZTGYCDJ-SECBINFHSA-N 321.362 2.421 0 40 DEAB CC1=NN(c2cc(C)ccc2C)C(=O)[C@H]1C(=O)c1cnccn1 103503358 MWVKIYWBTHIDID-OAHLLOKOSA-N 308.341 2.315 0 40 DEAB Cc1ccc(C(=O)CCC(=O)NCCC(=O)N2CCCC2)s1 23054936 HFSFVEHCWGEPPI-UHFFFAOYSA-N 322.430 2.148 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)c3ccc(N)cc3C2=O)cc1 240461 WAHFENOVSQCXFH-UHFFFAOYSA-N 310.309 2.246 0 40 DEAB CCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1 405948 MVSPBAXYOQYFKB-CJXOWJITSA-N 311.337 2.314 0 40 DEAB NC(=O)[C@@H]1CCN(c2ccc3cc(Br)ccc3n2)C1 77490058 CFKXCLGOKUICBI-SNVBAGLBSA-N 320.190 2.309 0 40 DEAB C[C@@H](C(=O)NC1CCCCC1)S(=O)(=O)c1ccccc1F 47663152 VMMLFXPVBIOVKK-NSHDSACASA-N 313.394 2.437 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@@H](C)OC[C@H]3C)cc(=O)oc12 105719348 GMVCBTVGLVQGID-GHMZBOCLSA-N 303.358 2.416 0 40 DEAB COc1ccc(C(=O)Nn2c(C)nnc2SC)cc1Cl 6861485 LXEMYOGTPFBCNE-UHFFFAOYSA-N 312.782 2.354 0 40 DEAB O=C(O)c1cccc(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)c1 100856797 YYKNVDNTZUDVAI-CQSZACIVSA-N 310.309 2.129 0 40 DEAB CC(=O)N1CCc2cc(C(=O)NCc3ccc(O)cc3)ccc21 58088342 HRHLEMKFDFGGOM-UHFFFAOYSA-N 310.353 2.231 0 40 DEAB Cc1cc(N2CCN(CC(=O)c3cccs3)CC2)nc(C)n1 58175645 VDOOMCGMLXAXBY-UHFFFAOYSA-N 316.430 2.160 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)C(=O)NCc2ccco2)cc1F 58282608 WEUIRWWXPXXKRP-LLVKDONJSA-N 304.321 2.162 0 40 DEAB CC(C)c1noc([C@@H](C)Nc2cccc(OCC(N)=O)c2)n1 44914470 MVOGOAXYSYEQLL-SNVBAGLBSA-N 304.350 2.230 0 40 DEAB CC(C)c1noc([C@H](C)Nc2cccc(OCC(N)=O)c2)n1 44914474 MVOGOAXYSYEQLL-JTQLQIEISA-N 304.350 2.230 0 40 DEAB Cc1noc2ncc(C(=O)NC[C@H](C)N3CCC(C)CC3)cc12 58393756 DSNAQNLHXLIXIO-LBPRGKRZSA-N 316.405 2.381 0 40 DEAB O=C(NCc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCCO1 58406235 ZPLUUCKWNUHIDJ-INIZCTEOSA-N 322.368 2.216 0 40 DEAB C[C@H]1CCCN(C(=O)CCc2nc(-c3ccncc3)no2)C1 29510221 FZTYKRMQLSKSHH-LBPRGKRZSA-N 300.362 2.323 0 40 DEAB Cc1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)c(O)c1 12689496 HIJQWCHAYGRUFW-UHFFFAOYSA-N 323.352 2.358 0 40 DEAB CCN(C(=O)Cn1nc(C)c(CCO)c1C)c1ccccc1 97115024 VQHDQXYPOSCMEP-UHFFFAOYSA-N 301.390 2.088 0 40 DEAB CC(C)[C@H](C)NC(=O)C1CCN(C(=O)Nc2ccncc2)CC1 62639915 LVKNNQGTHMHPBV-ZDUSSCGKSA-N 318.421 2.486 0 40 DEAB CSc1ccc(CN(C)CC(=O)NC(=O)NC(C)(C)C)cc1 3587011 XYLICQILPYWJRC-UHFFFAOYSA-N 323.462 2.465 0 40 DEAB O=C(O)[C@@H]1CS[C@H](Cc2ccc(Cl)cc2Cl)C(=O)N1 62712138 QGKFMAHNKFCGEZ-VHSXEESVSA-N 320.197 2.221 0 40 DEAB CN1CCC(CCO)(NC(=O)Nc2ccc(Cl)cc2)CC1 72314088 WDRXSSMOBSYYSK-UHFFFAOYSA-N 311.813 2.308 0 40 DEAB O=C(COc1cccc(F)c1)NCCc1ccc(C(=O)O)cc1 13442728 RNLNNDRNCIJDLU-UHFFFAOYSA-N 317.316 2.262 0 40 DEAB CC(=O)O[C@@H](C(=O)Nc1nncs1)c1c(F)cccc1F 4109932 OEJAZAOIHBIEIZ-SNVBAGLBSA-N 313.285 2.059 0 40 DEAB CCc1cccc(CC)c1NC(=O)NC[C@H](O)c1cnn(C)c1 72303894 PXKVYFXDUDNYAM-HNNXBMFYSA-N 316.405 2.400 0 40 DEAB C[C@@H](NC(=O)N1CCSCC1)c1ccc2c(c1)CCC(=O)N2 65440109 ROUWVSVAKYFSHE-LLVKDONJSA-N 319.430 2.391 0 40 DEAB Cc1ccccc1-c1noc(Cn2nnc3ccccc3c2=O)n1 5462551 RVKJCDUPIJPSJD-UHFFFAOYSA-N 319.324 2.198 0 40 DEAB O=C(c1ccccc1)C1CCN(C(=O)c2ccc[nH]c2=O)CC1 14414304 KRMDGVMLOXLLDQ-UHFFFAOYSA-N 310.353 2.110 0 40 DEAB Cc1sc2nc(COC(=O)c3ccccn3)[nH]c(=O)c2c1C 5695187 LEGQAIRDFWYGBB-UHFFFAOYSA-N 315.354 2.353 0 40 DEAB COc1ccc(NC(=O)c2ccc(NC(N)=O)cc2)cc1OC 6787038 SHSMDEKEUMFBSL-UHFFFAOYSA-N 315.329 2.447 0 40 DEAB NC(=O)CCSc1nnc(-c2ccco2)n1-c1ccccc1 7035117 NRNZLUNPHPZPSQ-UHFFFAOYSA-N 314.370 2.495 0 40 DEAB CCNC(=O)c1cc(N2CCCC[C@@H](N3CCCC3)C2)ccn1 95395767 ZZMCLMFMMHMUAE-MRXNPFEDSA-N 316.449 2.286 0 40 DEAB COC(=O)C[C@H](C)C(=O)N1c2ccccc2N(C)CC[C@@H]1C 96467402 DIDBUGFGKMUXAJ-STQMWFEESA-N 304.390 2.447 0 40 DEAB COc1cccc(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 16093784 HNAVNULTUQUZLY-UHFFFAOYSA-N 321.354 2.421 0 40 DEAB Cc1nnc2ccc(NCC3(c4ccc5c(c4)OCO5)CC3)nn12 68696935 QEHQVVYMCMHWSE-UHFFFAOYSA-N 323.356 2.305 0 40 DEAB O=C(COCC(=O)NC1CCCCC1)Nc1ccc(F)cc1 9669296 ZFZIUBGIEGZBFL-UHFFFAOYSA-N 308.353 2.230 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CN(C)C2CCC(CO)CC2)[C@@H]1C 84689745 PLTHGFSEVINJMY-AKNDPVLGSA-N 310.482 2.410 0 40 DEAB COC(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 8344847 QEACWLGJEHBZFZ-MDZDMXLPSA-N 314.341 2.219 0 40 DEAB CC(=O)N(C)Cc1cccc(NC(=O)N(C)C[C@@H]2CCCO2)c1 69571229 UGGZRLWNZKFKJG-INIZCTEOSA-N 319.405 2.308 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc12 69847010 GOIABEOZOWDEMB-ZDUSSCGKSA-N 311.345 2.205 0 40 DEAB C[C@H](N[C@@H](C)[C@H](C)n1cccn1)C(=O)Nc1ccc(Cl)cn1 69870256 AAXZGTQOXUBXAH-SRVKXCTJSA-N 321.812 2.498 0 40 DEAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc(Cl)c2N)no1 18406187 YZSNYXWHHMUXGF-QMMMGPOBSA-N 323.736 2.403 0 40 DEAB COc1ccnc(N(C)CC(=O)Nc2c(C)cc(C)cc2C)n1 8945662 PFLGRSIPEJCICT-UHFFFAOYSA-N 314.389 2.485 0 40 DEAB Cc1ccc(N2CCN(C[C@@H](O)COC(C)(C)C)CC2)cc1 26893788 KAZXIGOHPPEACK-QGZVFWFLSA-N 306.450 2.293 0 40 DEAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCc1ccn(C)c1 95984055 FSMYOKMVOMCJKX-AWEZNQCLSA-N 301.394 2.412 0 40 DEAB C[C@H]1CCCN1CCNC(=O)Cc1ccc(OC(F)F)cc1 95961717 QAMYZLJAHJZXJT-LBPRGKRZSA-N 312.360 2.431 0 40 DEAB C[C@H](NC(=O)NCCc1cc2ccccc2o1)c1nncn1C 95960818 HOMSPMRLEISNRY-NSHDSACASA-N 313.361 2.164 0 40 DEAB COc1ccc(CCNC(=O)C[C@H]2C(=O)Nc3ccccc32)cc1 74715194 GRRTVDVQTZPPKJ-MRXNPFEDSA-N 324.380 2.480 0 40 DEAB CNC(=O)c1cccc(NCc2ccc(Cn3ccnc3)cc2)n1 89392032 OVIOLOURYHOBRL-UHFFFAOYSA-N 321.384 2.298 0 40 DEAB C[C@H](CCc1ccccc1)Nc1ccn(CCS(C)(=O)=O)n1 86164690 GBCLCBPQACWTHX-CQSZACIVSA-N 321.446 2.361 0 40 DEAB CCOC(=O)c1cc(NC(=O)c2ccc3[nH]cnc3c2)cn1C 75337030 MXPRDDATRQAMOB-UHFFFAOYSA-N 312.329 2.330 0 40 DEAB CS(=O)(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 75612342 KJFVMDYAIMWMSB-CYBMUJFWSA-N 305.403 2.216 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@@H]2O)cc1Cl 76020477 MAUZTNDDYNTKAJ-RISCZKNCSA-N 324.808 2.254 0 40 DEAB CCc1nc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)no1 76044131 OIOKTAOHISAPSB-TZMCWYRMSA-N 313.357 2.299 0 40 DEAB O=C(Cc1cn2ccsc2n1)N1CCc2ccc(O)cc2C1 76998074 ZGDPYWDPTNVCCS-UHFFFAOYSA-N 313.382 2.229 0 40 DEAB CCOC(=O)C1(NC(=O)c2ccc(C)nc2)Cc2ccccc2C1 79333610 WDWUGMBJFYPHFE-UHFFFAOYSA-N 324.380 2.221 0 40 DEAB O=c1c2cnc3ncnn3c2ccn1-c1nc2ccccc2s1 38784079 PXPWKMPJLNQENN-UHFFFAOYSA-N 320.337 2.038 0 40 DEAB COC(=O)C[C@H](C)NC(=O)c1c(C)oc(C)c1Br 74051683 WCPSUJNSOPKXJK-LURJTMIESA-N 318.167 2.340 0 40 DEAB CSCc1cccc(CNC(=O)N2CCC[C@H](CO)C2)c1 187396184 FKQVXQMVNMHYTD-HNNXBMFYSA-N 308.447 2.464 0 40 DEAB C[C@H](Cn1cccn1)NS(=O)(=O)c1ccc(F)c(Cl)c1 44917651 XCLWYKLFLXFTRI-SECBINFHSA-N 317.773 2.043 0 40 DEAB Cc1ccc(C(=O)NCCn2cc(Br)cn2)cc1 28242704 LCRSKJHVNUREGG-UHFFFAOYSA-N 308.179 2.384 0 40 DEAB COC(=O)[C@@H]1CCCN1CCC(=O)Nc1ccc(C)c(F)c1 72662322 XTNBKLXDPKPQLN-AWEZNQCLSA-N 308.353 2.100 0 40 DEAB O=C(CCc1ccc2c(c1)OCO2)NCC[C@@H](O)c1ccco1 72243141 KPQJSZDNUGARCV-CYBMUJFWSA-N 317.341 2.181 0 40 DEAB Cc1nnc(CCNC(=O)N2CCCC[C@H]2C(F)F)s1 562246844 KHKKSYDSSPOBKK-VIFPVBQESA-N 304.366 2.218 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CCc3ccccc3C2)c(=O)n1C 566303313 GTJUJSLNSKQOGI-INIZCTEOSA-N 310.397 2.115 0 40 DEAB O=S(=O)(Nc1nnc2ccccn12)c1ccc2c(c1)CCC2 78554414 BBFLDTUVUDIQMP-UHFFFAOYSA-N 314.370 2.019 0 40 DEAB COc1ccccc1C(=O)N[C@H]1CCCN(c2ccccn2)C1 130395167 ZOQILYFXIJOCIL-AWEZNQCLSA-N 311.385 2.489 0 40 DEAB COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)N(C)C)CC1)O2 225821328 FJWLRTJGEKVWSF-UHFFFAOYSA-N 318.373 2.177 0 40 DEAB CCCCn1c(C)ccc(-c2noc(CCCC(=O)O)n2)c1=O 89263180 OCDTXKMCBVQGKG-UHFFFAOYSA-N 319.361 2.414 0 40 DEAB CC[C@H]1CCN([C@H](C)C(=O)NCc2ccc(C(=O)O)cc2)C1 574884627 UMNQWYZCGQHDNV-OLZOCXBDSA-N 304.390 2.121 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NC(C(C)C)C(C)C)c1 225741446 XUKBRPUETCTHJL-UHFFFAOYSA-N 313.419 2.432 0 40 DEAB Cn1cncc1Cc1noc([C@@H]2CCCN2c2nccs2)n1 333523418 ZWAFGLCBXBSLIN-NSHDSACASA-N 316.390 2.192 0 40 DEAB CC(C)C[C@H]1OCCC[C@@H]1NC(=O)[C@@H](O)Cc1ccccc1 331047272 GYNCPISWTHQYPY-YESZJQIVSA-N 305.418 2.300 0 40 DEAB COc1cc2c(cc1OC)[C@]13CCN[C@H](C2)[C@@H]1CCC(=O)C3 96316417 GZZOFTMOJHVMPV-JOQOYGCGSA-N 301.386 2.229 0 40 DEAB biogenic,in-vitro COCCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)[C@@H]2C1 96080511 DUOMFXIYPSCYKN-DZGCQCFKSA-N 308.809 2.019 0 40 DEAB Cc1ccc(C(=O)NC2(c3ncon3)CCOCC2)cc1Cl 97373354 UKGDXYGARLOTPU-UHFFFAOYSA-N 321.764 2.467 0 40 DEAB COC(=O)c1cc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n[nH]1 96511687 YLENPDGHJKPTFG-SNVBAGLBSA-N 309.366 2.311 0 40 DEAB CC(C)S(=O)(=O)CCS(=O)(=O)[C@H](C)c1ccccc1F 96455456 PWXMDJMFXJFGSS-LLVKDONJSA-N 322.423 2.125 0 40 DEAB Cn1cc(CCNC(=O)c2c(O)cc(Cl)cc2Cl)cn1 96456614 GKVREWVEKATEGI-UHFFFAOYSA-N 314.172 2.405 0 40 DEAB O=C(Cn1cccn1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257241524 HYIDZSNFWHRYGF-UAGQMJEPSA-N 311.385 2.199 0 40 DEAB COCCN1CCC(Cc2cnc(-c3cc(C)n[nH]3)cn2)CC1 257206929 BFNIDQSEJVXNKU-UHFFFAOYSA-N 315.421 2.076 0 40 DEAB CCc1ccccc1NC(=O)CN1C[C@@H](OC)[C@@]2(CCCO2)C1 257226051 FIXQVRHONZAMQF-SJLPKXTDSA-N 318.417 2.067 0 40 DEAB Cc1cc(C(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)no1 257292889 QNJFLLKRQJHQJR-LBPRGKRZSA-N 311.345 2.274 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)n1 257226793 FMFLHXYPZHYSEN-LBPRGKRZSA-N 323.393 2.426 0 40 DEAB COc1cccc2cc(C(=O)N3CC[C@H](n4nccn4)C3)oc12 253473847 ZDXMURWINMRCLN-LBPRGKRZSA-N 312.329 2.120 0 40 DEAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3cccc(O)n3)C2)c1 257237821 HIIDEEZVXHBVAD-GFCCVEGCSA-N 312.373 2.162 0 40 DEAB Cc1nc([C@H]2CCNC2)nc2c1CCC(=O)N2CCC(C)C 257275394 NPFHXDMCGLWDBY-ZDUSSCGKSA-N 302.422 2.187 0 40 DEAB CCCOc1cc(S(=O)(=O)NC)ccc1Br 41105633 QEAZXWBDFSJNAL-UHFFFAOYSA-N 308.197 2.146 0 40 DEAB Cc1cc(S(=O)(=O)Nc2c(C)noc2C)sc1C(=O)O 299484586 GMUVKQCQTIZFQM-UHFFFAOYSA-N 316.360 2.160 0 40 DEAB CN(C)c1ccc([C@@H](O)CNC(=O)Cc2ccc(F)cc2)cc1 90611667 OJFGEKFRXTVFNS-KRWDZBQOSA-N 316.376 2.284 0 40 DEAB Cn1cc(C(=O)N(CCc2cccs2)Cc2ccoc2)nn1 96120668 URFWJROQXHIGBB-UHFFFAOYSA-N 316.386 2.355 0 40 DEAB CCOCc1nnc2n1CCN(C(=O)C1=CCCCC1)[C@@H](C)C2 585098266 SRRFYGJPKVRMOT-ZDUSSCGKSA-N 318.421 2.088 0 40 DEAB CNC(=O)c1cccc([C@H]2CNCCN2Cc2cccs2)c1 585182272 LMPPDDDKERCWBQ-MRXNPFEDSA-N 315.442 2.254 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccncc1 69511848 MZPZXIBUFFKCDQ-IRXDYDNUSA-N 301.434 2.490 0 40 DEAB CSCc1ccc(CNC[C@@H]2CCc3nnc(C)n3C2)o1 72267363 YFCSLPCDWSVXOX-LBPRGKRZSA-N 306.435 2.395 0 40 DEAB CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCc2cc(F)ccc21 56318523 GKDJGISPDNJXMZ-CQSZACIVSA-N 306.381 2.482 0 40 DEAB CC(C)c1ncc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)[nH]1 75092136 BMMMBEGMAAERRC-UHFFFAOYSA-N 305.363 2.210 0 40 DEAB Cc1cc([C@](C)(O)CNC(=O)CNc2cccc(F)c2)c(C)o1 81818144 SFVSDWYQMUAGHD-QGZVFWFLSA-N 320.364 2.471 0 40 DEAB Cc1noc(-c2ccc(C(=O)N[C@H]3CCN(C4CC4)C3)cc2)n1 84286804 CITYCHPWIMSWNR-AWEZNQCLSA-N 312.373 2.012 0 40 DEAB C[C@@H](CCc1ccco1)NC(=O)NCC1(N(C)C)CCOCC1 95959542 SWUCYFNSSZGGKC-AWEZNQCLSA-N 323.437 2.011 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)NC(C)(C)C)cc1 97097900 AMJWOMHAJBTSMJ-LBPRGKRZSA-N 312.435 2.255 0 40 DEAB COc1ccc(C(=O)CCC(=O)N[C@@H]2CCCOC2)cc1C 12194240 YQIPRGXLFNTXBA-CQSZACIVSA-N 305.374 2.262 0 40 DEAB CC[C@@]1(C(=O)OC)C[C@@H](C(=O)O)[C@@H](c2ccc(F)cc2)N1C 12336698 VKNSHFZHNUXUHI-IOASZLSFSA-N 309.337 2.225 0 40 DEAB CCc1cc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)ccc1OC 16780401 APUNGRNJCBDFRG-TXEJJXNPSA-N 313.419 2.056 0 40 DEAB Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)cn1 156512414 WBYJHEHIERVOEA-LBPRGKRZSA-N 320.780 2.279 0 40 DEAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(NC(=O)C2CC2)cc1 19590912 QRFRZKPFWIEAJD-OAHLLOKOSA-N 322.368 2.309 0 40 DEAB CCN(CC(=O)NC(C)C)C(=O)COc1ccc(Cl)cc1 18228960 YFRMHOGLWYKQFP-UHFFFAOYSA-N 312.797 2.092 0 40 DEAB CCc1cc(N2C[C@@H]3CN(c4ncnc(C)c4C)C[C@H]3C2)ncn1 1888853301 XYZIUFFHILUYLF-HUUCEWRRSA-N 324.432 2.018 0 40 DEAB Cc1noc(C)c1C(=O)N1CCC(N(C)c2ccccn2)CC1 1889122607 DKQZACASCWEIHJ-UHFFFAOYSA-N 314.389 2.427 0 40 DEAB Cc1cc(C)c(C)c(OCCCNC(=O)c2cc[n+]([O-])cc2)c1 16498776 MPYFMLLWJOBBMN-UHFFFAOYSA-N 314.385 2.444 0 40 DEAB CN(C)S(=O)(=O)c1cccc(NC(=O)c2cccs2)c1 7966768 RASWSQLTMDKOAQ-UHFFFAOYSA-N 310.400 2.251 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN(Cc2ccccc2)C1 38849062 SNRAQBYPRGFDGU-IRXDYDNUSA-N 302.418 2.194 0 40 DEAB CC(C)N1C[C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2OCC1=O 2037980743 HAJDJORQRHDHJQ-WBVHZDCISA-N 320.408 2.283 0 40 DEAB COC1(CC(=O)N2CC[C@H](O)[C@@H]2Cc2ccccc2)CCC1 1565550544 BJDVYYHHGBMYME-HOTGVXAUSA-N 303.402 2.150 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)c3cccs3)ccc21 9572714 YLPRGKXCEOBKNI-UHFFFAOYSA-N 308.384 2.068 0 40 DEAB COCCNC(=O)C1(Nc2ccccc2)CCN(C(C)C)CC1 2055759404 VBVKLZYFIUGRHM-UHFFFAOYSA-N 319.449 2.104 0 40 DEAB Cc1noc(C2CN(C(=O)c3ccc(-n4cccc4)cc3)C2)n1 49482260 LNRWFLWDPRICMB-UHFFFAOYSA-N 308.341 2.408 0 40 DEAB Cn1c(=O)n(C)c2cc(NC(=O)N3CCCCCC3)ccc21 50062900 PRSWHAISFBNXOC-UHFFFAOYSA-N 302.378 2.285 0 40 DEAB CCc1ccccc1N1C[C@@H](C(=O)Nc2nncs2)CC1=O 20371896 ZPCVZNNOFYMRKH-NSHDSACASA-N 316.386 2.092 0 40 DEAB O=C(CNC(=O)c1ccoc1)Nc1cccc(Br)c1 31553593 JRTNWLAVWBKDJH-UHFFFAOYSA-N 323.146 2.411 0 40 DEAB C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCO2)c1ccccn1 40461031 XKFGXBZJBSTJGM-LLVKDONJSA-N 304.371 2.056 0 40 DEAB CC(=O)N(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccccc1C 100743340 ZXUGUDUGTMBHNG-OTRWWLKZSA-N 324.380 2.113 0 40 DEAB O=C1CCCN1C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101058067 PJOKVFOLMGZFIH-CAOSSQGBSA-N 302.418 2.202 0 40 DEAB O=C1CCCN1C[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101058073 PJOKVFOLMGZFIH-JONQDZQNSA-N 302.418 2.202 0 40 DEAB Cc1ccc(C(=O)Nn2c(S)nc3ccccc3c2=O)s1 102228951 KPCQVTAMPGMVQV-UHFFFAOYSA-N 317.395 2.439 0 40 DEAB COc1ccc2c(c1OC)C(=O)N1C(=O)c3ccccc3O[C@H]21 519603 VWQMRWRRICVJFR-QGZVFWFLSA-N 311.293 2.391 0 40 DEAB biogenic CN[C@H]1CCCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 53203122 KYSFUYHONQZDAN-NSHDSACASA-N 322.352 2.078 0 40 DEAB COc1ccc(NC(=O)Cc2nc3ccccc3c(=O)[nH]2)cc1 53845965 XFLUQBAMANLRAB-UHFFFAOYSA-N 309.325 2.113 0 40 DEAB NC(=O)[C@@H]1CN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2O1 104667722 YAKQNHUHLQGFLF-JFILPPLUSA-N 314.385 2.092 0 40 DEAB CC(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C)s1 97137561 KMBXXYBJZMNPTO-JTQLQIEISA-N 312.460 2.475 0 40 DEAB CC(=O)Nc1ccc(NC(=O)CSC2=NCCS2)cc1 917239 STKASSLIHRRYEW-UHFFFAOYSA-N 309.416 2.420 0 40 DEAB O=C(N[C@@H]1CC=CCC1)N1CCN(c2ccccc2O)CC1 77629748 WQUUKDGRDMEONA-CQSZACIVSA-N 301.390 2.333 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1OCC[C@H]1CNCc1ccccn1 78880322 RELZFDZXODTRLG-YOEHRIQHSA-N 300.406 2.299 0 40 DEAB CCOc1nc(=O)n(CC(=O)c2ccc(Cl)s2)cc1F 1725114 IRZUTBHEGVKQDN-UHFFFAOYSA-N 316.741 2.379 0 40 DEAB Cc1ccccc1-c1nnn(CC(=O)N[C@@H]2CCCC[C@@H]2C)n1 6223409 JLFMCDMJEZKFCQ-DZGCQCFKSA-N 313.405 2.343 0 40 DEAB CC[C@@H](CO)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 97103271 JMYJWBGFOUJTAP-LBPRGKRZSA-N 302.330 2.033 0 40 DEAB C[C@H]1CCCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1 7787677 XTNNBRJTLWLMIF-JTQLQIEISA-N 321.446 2.006 0 40 DEAB CCOc1ccccc1NC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 7939458 PYGRBVUEZHRERP-DTIWESFOSA-N 301.342 2.221 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)Nc1nnc(C2CC2)s1 25767777 JSSRPTNGYIOGKD-UHFFFAOYSA-N 305.407 2.337 0 40 DEAB COc1ccc(Br)cc1CSCCNC(=N)N 1778192 BIGXYODKVALNGT-UHFFFAOYSA-N 318.240 2.174 0 40 DEAB CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc[nH]2)s1 12567811 RRHOAPICBDEDNJ-VIFPVBQESA-N 320.370 2.141 0 40 DEAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2noc(C3CC3)n2)no1 72300091 CYSUPNTWJAALHV-LLVKDONJSA-N 317.349 2.019 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)NCCc1ccccc1 100505755 FXAYKETVPJKOOZ-MDOLAMBHSA-N 311.381 2.114 0 40 DEAB CC(=O)c1ccc(C(=O)NCCCOC[C@H]2CCCO2)s1 44895452 IXOQZQGEWCHEIP-GFCCVEGCSA-N 311.403 2.266 0 40 DEAB COC(=O)[C@H]1CN(C(=O)[C@H]2CC=CCC2)c2ccccc2O1 44866263 JFKNMDBGTUBNMA-SWLSCSKDSA-N 301.342 2.310 0 40 DEAB COc1cc([C@@H](C)NC(=O)C(F)(F)F)cc(OC)c1OC 58283548 YZCFOLHAHLUENS-SSDOTTSWSA-N 307.268 2.452 0 40 DEAB Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2CC2)N2CCOCC2)o1 44951796 LJHJOHWRJAXQJA-ZFWWWQNUSA-N 321.421 2.059 0 40 DEAB C[C@@H](CNC(=O)c1cccnc1)N1CCc2sccc2C1 44912136 HBSOTUMWMZHQLZ-LBPRGKRZSA-N 301.415 2.320 0 40 DEAB O=C1C[C@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c2ccccc2N1 84578818 YCMHDCAJCAREGF-JSGCOSHPSA-N 324.384 2.242 0 40 DEAB CN(C)C(=O)CCN1CCC[C@@H](c2nc3ccccc3o2)C1 29833248 NJKUSEQWILFZOY-CYBMUJFWSA-N 301.390 2.486 0 40 DEAB O=C(NCc1cnn(Cc2ccccc2)c1)N1CCSCC1 46959634 DRRGXOMKNPTVBW-UHFFFAOYSA-N 316.430 2.190 0 40 DEAB O=C1CCc2cc(OS(=O)(=O)c3cccs3)ccc2N1 12815096 YOCIPCPZMQTGRV-UHFFFAOYSA-N 309.368 2.401 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)COn1nnc2ccc(Cl)cc21 3417417 KJSWLQYOEDMPPF-JQWIXIFHSA-N 322.796 2.208 0 40 DEAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 3448625 ZWMHABIPGZDGTF-QGZVFWFLSA-N 317.389 2.271 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)COn1nnc2ccc(Cl)cc21 3417411 KJSWLQYOEDMPPF-CMPLNLGQSA-N 322.796 2.208 0 40 DEAB C[C@H]1C[C@H]1C(=O)NCc1cn2cc(Br)ccc2n1 48750067 UYYQNXIPFWXTEE-GZMMTYOYSA-N 308.179 2.369 0 40 DEAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccncc1 38944038 ZOIVYPIRPWFICW-UHFFFAOYSA-N 309.369 2.499 0 40 DEAB O=C(Nc1ccncc1)c1cc2ncc(Br)cn2n1 6277153 PVOYHFPYCQTMAZ-UHFFFAOYSA-N 318.134 2.139 0 40 DEAB O=C(c1ccoc1)N1CCN(c2nc3cccnc3s2)CC1 65535655 AQCZJENYQOVATN-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB C[C@H](C(=O)O)N(c1ccccc1)S(=O)(=O)c1ccccc1 14628726 ICJJOYMQPVKAGW-GFCCVEGCSA-N 305.355 2.355 0 40 DEAB Cn1c(=O)n(CCC(=O)NC2CCCCC2)c2ccccc21 14845260 LKTGIDBVOFGKLN-UHFFFAOYSA-N 301.390 2.179 0 40 DEAB CN(Cc1ncccc1C(=O)O)Cc1n[nH]c2c1CCCC2 67678845 SEKXOCZHLKHVNC-UHFFFAOYSA-N 300.362 2.014 0 40 DEAB C[C@H]1CCCCN1C(=O)Cn1cnc2ccc(Cl)cc2c1=O 7440857 VLQKGMVCXLFVJE-NSHDSACASA-N 319.792 2.451 0 40 DEAB C[C@H]1CN(CCCN2C(=O)c3ccccc3C2=O)CC(C)(C)O1 68477479 LJROJGWOVBHBGP-ZDUSSCGKSA-N 316.401 2.172 0 40 DEAB Cc1cccc(C)c1NC(=O)CNC(=O)CN1CCC[C@@H](C)C1 7787512 UEFJRIXVGLGRDA-CYBMUJFWSA-N 317.433 2.090 0 40 DEAB NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 7789480 GRZHUZSPYVUNBF-UHFFFAOYSA-N 313.386 2.339 0 40 DEAB C[C@@H](NC(=O)C1=CCCCO1)c1ccccc1N1CCOCC1 81444963 FIYQRDVVFVZKMU-CQSZACIVSA-N 316.401 2.395 0 40 DEAB O=C(CCS(=O)(=O)C1CCCC1)Nc1ccc(Cl)nc1 71803707 LBNALOKPGVDALI-UHFFFAOYSA-N 316.810 2.421 0 40 DEAB C[C@H]1NCCC[C@@H]1NS(=O)(=O)c1ccccc1C(F)(F)F 91496892 PSUSVKLYDMHRGI-KOLCDFICSA-N 322.352 2.124 0 40 DEAB CN(CCc1ccccc1F)[C@H]1CCN(CC(F)(F)F)C1=O 71897211 DNMKWJFHDNMOIS-ZDUSSCGKSA-N 318.314 2.463 0 40 DEAB CCn1c([C@@H]2CCCN(C(=O)[C@H](C)SC)C2)n[nH]c1=S 69485285 HYSSMGOFWLQMJC-VHSXEESVSA-N 314.480 2.418 0 40 DEAB C[C@H]1CCCCN1C(=O)CCNC(=O)COCc1ccccc1 69454008 HJJSVIKCMGJLDP-HNNXBMFYSA-N 318.417 2.111 0 40 DEAB Cc1cc(N2CCC(N(C)C(=O)C3CCC3)CC2)nc(C)n1 69741880 COXCTVWWFCUNEM-UHFFFAOYSA-N 302.422 2.321 0 40 DEAB COC(=O)c1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 69739641 PWJWRJCAGJYOMP-ZDUSSCGKSA-N 317.389 2.175 0 40 DEAB CCc1csc([C@H]2CCCN(C(=O)[C@H](C)n3cncn3)C2)n1 72282241 QFJRVCRJYKWYLS-RYUDHWBXSA-N 319.434 2.264 0 40 DEAB CCCc1noc(CN2CCC[C@H]2c2c(C)nn(C)c2OC)n1 72253738 DXGUHOXDHSCDTR-LBPRGKRZSA-N 319.409 2.410 0 40 DEAB O=C(c1cc(-c2cccnc2)on1)N1CCC[C@@H](n2ccnc2)C1 69918855 FTZDBPGPRBIPPK-CQSZACIVSA-N 323.356 2.410 0 40 DEAB Cc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)nc(Cl)n1 72203175 DVSPFHLEILQZFS-UHFFFAOYSA-N 312.801 2.496 0 40 DEAB C[C@@H](CC(=O)NC[C@@](C)(O)c1cnn(C)c1)c1ccc(F)cc1 72295030 ZKXTVMQVOKPUCL-YVEFUNNKSA-N 319.380 2.077 0 40 DEAB COc1c([C@H]2CCCN2C(=O)c2scnc2C)c(C)nn1C 72234388 NZSNSBKWVIJQJK-LLVKDONJSA-N 320.418 2.479 0 40 DEAB Cc1cc(N2CCS(=O)(=O)[C@H](C)C2)c2cccc(F)c2n1 97142361 DSEJYUXFVHGEKA-LLVKDONJSA-N 308.378 2.306 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Nc1cccnc1 95459127 ZAFDJIURFJQKSE-AWEZNQCLSA-N 315.377 2.037 0 40 DEAB Cc1cc(F)c(S(=O)(=O)N[C@@H](C)C[C@H]2CCOC2)cc1F 95417542 JSKBTQUMJWERPM-WDEREUQCSA-N 319.373 2.367 0 40 DEAB C[C@H](CNC(=O)Nc1cc(-c2ccccc2)on1)[S@@](C)=O 95973945 ACQMYJPASIBAEL-UZJPJQLHSA-N 307.375 2.230 0 40 DEAB Cc1nc(NC(=O)N2CC[C@H](Oc3cccnc3)C2)oc1C 89558597 AUSCRCNCHZBHMK-ZDUSSCGKSA-N 302.334 2.372 0 40 DEAB CCCCc1nnc(SCc2nc(-c3ccco3)no2)n1N 76065376 KTZHLKXWRLZDPQ-UHFFFAOYSA-N 320.378 2.270 0 40 DEAB Cc1nccn1Cc1ccc(NC(=O)N[C@H](C)[C@H](C)CO)cc1 76020196 JCXMDSLARWBFGB-CHWSQXEVSA-N 316.405 2.378 0 40 DEAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@H](O)c2ccccc2)C1 76017774 UGOURROCLNPOEC-JYYAWHABSA-N 304.434 2.203 0 40 DEAB CN1CCCN(c2ccc(-c3noc(C4(C)CC4)n3)cn2)CC1 546362550 NDZCLEJYYUHQLT-UHFFFAOYSA-N 313.405 2.325 0 40 DEAB C[C@@H]1C[C@@H](C)CN(c2cnn(C)c(=O)c2Br)C1 27757152 OQDVJHZUDFPBHD-RKDXNWHRSA-N 300.200 2.025 0 40 DEAB COC(=O)CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 28284626 XDGPSKLWJIIYPP-UHFFFAOYSA-N 322.777 2.471 0 40 DEAB Cc1cc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)no1 32841347 QKDUVJHICRGTRO-AWEZNQCLSA-N 302.378 2.277 0 40 DEAB O=C(CN1CC(=O)Oc2ccc(Cl)cc21)Nc1nccs1 31847042 OKPJYBUBNPUACP-UHFFFAOYSA-N 323.761 2.161 0 40 DEAB Cn1nccc1CCC(=O)N1CCC[C@H](c2nccs2)C1 124626507 CEPLJFAJOORDST-LBPRGKRZSA-N 304.419 2.215 0 40 DEAB CC(C)COCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 78999026 MPLUIBFMOSPKQQ-HZPDHXFCSA-N 324.465 2.204 0 40 DEAB Nc1ccc(O)c(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634335 TYYBNPFADPOZGV-UHFFFAOYSA-N 301.253 2.159 0 40 DEAB CC(C)c1ccccc1NC(=O)N[C@H](C(=O)O)c1ccn(C)n1 559431536 MHWRUVZGQGCKNM-AWEZNQCLSA-N 316.361 2.491 0 40 DEAB Cc1nc(N2CCCC2)ccc1NC(=O)N(C)CC1(CO)CC1 188491307 JPXSTHZGDQYONZ-UHFFFAOYSA-N 318.421 2.226 0 40 DEAB O=C(CCn1cncn1)Nc1nc(Cc2ccccc2)cs1 184498005 MTOAMYLCDJXZBB-UHFFFAOYSA-N 313.386 2.354 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)C(=O)NC[C@@H](O)C(C)(C)C 79029015 KXGCCASOKXTJJO-GFCCVEGCSA-N 312.797 2.110 0 40 DEAB CCn1nc(C)cc1CNC(=O)c1ccc(Br)o1 226746746 BJSWUDZDDNIKJD-UHFFFAOYSA-N 312.167 2.497 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)c1c(O)cc(Cl)cc1Cl 80003304 WKLVIXUGNNLDPM-ZETCQYMHSA-N 315.160 2.109 0 40 DEAB O=C(NCc1noc2ccccc12)N1CCC[C@@H](CO)CC1 571176093 OPBQITMNKOMCIZ-GFCCVEGCSA-N 303.362 2.132 0 40 DEAB O=C(NCc1cccc(Cl)c1)C(=O)NCc1cccs1 339540427 SYLAVJAYQSXBKK-UHFFFAOYSA-N 308.790 2.334 0 40 DEAB O=C(NC[C@@H]1OC[C@H]2CN(Cc3ccccc3)CC[C@H]21)C1CC1 96185298 VMKDMTGNZRCFDV-KURKYZTESA-N 314.429 2.050 0 40 DEAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4nccs4)C[C@H]3O2)no1 96046182 ILCWFINJSHJVHA-QJPTWQEYSA-N 306.391 2.187 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)c1ccc(C(F)(F)F)cn1)C2 97198431 MHCLXQSDUHHVHF-NSHDSACASA-N 324.306 2.350 0 40 DEAB CCCc1cc(N(C[C@@H]2CCOC2)C2CC2)n2ncnc2n1 97379238 XYQBIBQMGQILRD-LBPRGKRZSA-N 301.394 2.082 0 40 DEAB CCN(CC)CC[C@H]1CN(C2CCOCC2)Cc2ccnn21 248264984 SDYGDNCERLLGIV-KRWDZBQOSA-N 306.454 2.151 0 40 DEAB CCN1CCC[C@@H](Cc2cc(Nc3nncs3)ncn2)C1 257318002 VMCAHCNLNXXFPT-NSHDSACASA-N 304.423 2.346 0 40 DEAB Cc1nc(CC(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)cs1 257222867 DUXVXOUGWQEKHF-GFCCVEGCSA-N 304.419 2.198 0 40 DEAB CCc1nnsc1C(=O)N1CCC[C@@H](Cc2[nH]ncc2C)C1 257334573 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CCn1ccc2c(OCC(=O)NC3CCCC3)cccc2c1=O 16689932 LAVLOMCWOAEBPS-UHFFFAOYSA-N 314.385 2.459 0 40 DEAB C[C@](CO)(NC(=O)c1cnn2c1CCCC2)C1CCCCC1 157894761 MXOXBUUZYVIKFF-QGZVFWFLSA-N 305.422 2.281 0 40 DEAB Cc1nccn1CC1CN(C(=O)CCc2ccccc2F)C1 1849048452 MQZJBFCQJFMXQD-UHFFFAOYSA-N 301.365 2.422 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2c1ccn2C 1889160441 CWRSVSXCBVLVKQ-UHFFFAOYSA-N 310.357 2.376 0 40 DEAB COc1ccc([C@H](CNc2nccc(OC)n2)N(C)C)cc1 15114931 DRFZRWGPNMQLFG-AWEZNQCLSA-N 302.378 2.209 0 40 DEAB Cc1cc(C(=O)N2CCN(C(=O)c3ccoc3)CC2)c(C)o1 25235820 FMFHGHMSXFUXAS-UHFFFAOYSA-N 302.330 2.088 0 40 DEAB O=C(NCc1nc(-c2cc(C3CC3)on2)no1)c1ccco1 238810417 ADZHNTUJEGRRES-UHFFFAOYSA-N 300.274 2.125 0 40 DEAB COc1cccc(CN2C[C@H]3CN(c4ncccn4)C[C@H]3C2)c1 1203818808 JYGOQGPGHVGMQE-IYBDPMFKSA-N 310.401 2.053 0 40 DEAB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nccs1 4496288 QHQYSPPFBVDUBE-UHFFFAOYSA-N 314.363 2.085 0 40 DEAB CCNC(=O)[C@H]1Cc2ccccc2N1C(=O)c1cccs1 10256117 ZUQOSQUCQWTZCI-CYBMUJFWSA-N 300.383 2.456 0 40 DEAB CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)c1ccc(C)nc1 2055729677 TXTBYGSCHHRWEF-XHSDSOJGSA-N 304.390 2.046 0 40 DEAB Cc1cc(N2CCN(c3cc(C(C)(C)C)ncn3)CC2)ncn1 1775973134 AFCCFMFFETWGIW-UHFFFAOYSA-N 312.421 2.199 0 40 DEAB Cc1cnc(N(C)[C@@H]2CCCN(C[C@@H]3CCCCO3)C2)nc1 2086850136 HBUYBJSTSKNENI-CVEARBPZSA-N 304.438 2.255 0 40 DEAB O=C(CNC(=O)c1c[nH]c2ccccc12)NCc1cccs1 49027780 BAJHZYIXFPTOHA-UHFFFAOYSA-N 313.382 2.276 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30260000 OVGXNQIFVREFHC-FZMZJTMJSA-N 305.353 2.158 0 40 DEAB C[C@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)C[C@H](C)O1 30807190 JDGOLJLEZSKVLG-RYUDHWBXSA-N 317.414 2.383 0 40 DEAB COc1cccc([C@@H]2CCCN2C[C@H](O)Cn2cccn2)c1 51180470 IWOOXENZQPYROE-RDJZCZTQSA-N 301.390 2.090 0 40 DEAB Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CCCCNC2=O)c1 40521389 BNKDDOJBMRTFRK-OAHLLOKOSA-N 318.417 2.282 0 40 DEAB C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C1CC1)c1ccccc1 40556202 YHJDITMKECJMFZ-FZMZJTMJSA-N 304.415 2.175 0 40 DEAB O=C(Nc1nccs1)NC1CCN(Cc2ccccn2)CC1 40553525 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CNC(=O)CCN1CCO[C@@H](c2cccc(C(F)(F)F)c2)C1 78988462 ARHKJJLGLQIOSR-CYBMUJFWSA-N 316.323 2.215 0 40 DEAB Cc1cc(C)cc(C[S@@](=O)CC(=O)Nc2cc(C)on2)c1 24830334 JQPCZVOKWKEGJO-NRFANRHFSA-N 306.387 2.487 0 40 DEAB NC(=O)CSc1nccn1-c1cccc(C(F)(F)F)c1 4248709 MNSNBOIEHZSLQS-UHFFFAOYSA-N 301.293 2.469 0 40 DEAB CCCc1noc([C@H](C)N(C)CC2CCN(C[C@H](C)O)CC2)n1 106781290 LPYAMEPDSAYNCJ-KBPBESRZSA-N 324.469 2.108 0 40 DEAB COCCNC(=O)[C@H](OC(=O)c1cccs1)c1ccccc1 4356481 SPSRQBRWGOGVRX-CQSZACIVSA-N 319.382 2.409 0 40 DEAB Cc1ccc(-n2nnc(C(=O)NCc3cccs3)c2N)cc1 4984860 GGHOJFMZVPUWLX-UHFFFAOYSA-N 313.386 2.149 0 40 DEAB NC(=O)Cc1csc(NC(=O)[C@H]2CCCc3ccccc32)n1 25673363 VGBUGGFLVHGPHB-ZDUSSCGKSA-N 315.398 2.230 0 40 DEAB Cc1ocnc1C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1 95441738 VHZXYWTXLPVSHU-UHFFFAOYSA-N 313.317 2.351 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1/C=C/c1ccccc1 108551017 YHXCGSKXQOACAT-ZRKYVKQCSA-N 314.381 2.450 0 40 DEAB Cc1cc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(C)o1 8491191 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Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccnc(C)n2)n1 71865549 UJEPUCQXFZUXDP-HNNXBMFYSA-N 313.405 2.293 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc3[nH]nnc3c2)c1 71865794 VVHRIJDSSQYBCW-AWEZNQCLSA-N 324.388 2.158 0 40 DEAB C[C@@H](OC(=O)[C@@H]1CC=CCC1)C(=O)Nc1sccc1C(N)=O 7828823 GAAAIHBBWYTABF-NXEZZACHSA-N 322.386 2.074 0 40 DEAB Cc1noc([C@@H](C)OC(=O)[C@H]2CC(=O)N(C)c3ccccc32)n1 71898400 TYQNYNVHVDHLRG-SKDRFNHKSA-N 315.329 2.133 0 40 DEAB Cc1nc(CC(=O)Nc2ccc(NC(=O)C3CC3)nc2)cs1 71889198 RSJBHSRREMGDGL-UHFFFAOYSA-N 316.386 2.376 0 40 DEAB O=C(Cn1cccn1)NCc1ccnc(OC2CCCCC2)c1 71850931 CVPGDWKHACANKK-UHFFFAOYSA-N 314.389 2.306 0 40 DEAB C[C@H](NC(=O)C1=CCCCO1)c1ccccc1N1CCOCC1 81444962 FIYQRDVVFVZKMU-AWEZNQCLSA-N 316.401 2.395 0 40 DEAB CC(C)N1C(=O)S/C(=C2/SC(=O)N(C(C)C)C2=O)C1=O 16676445 OHZZXZTZIKZURA-BQYQJAHWSA-N 314.388 2.406 0 40 DEAB COc1ccc(-c2nc(CC(=O)N3CCOCC3)cs2)cc1 16642902 LZCIPENYSMVEKF-UHFFFAOYSA-N 318.398 2.220 0 40 DEAB Cc1nc(Cl)cc(N2CCC[C@@H]2C(=O)NCC(F)(F)F)n1 71904101 KJWNWZPUIGKAGK-MRVPVSSYSA-N 322.718 2.086 0 40 DEAB CC(C)CNC(=O)[C@@H](C)Sc1nnc(NC2CC2)s1 8249551 AERIRLXNCGMKBO-MRVPVSSYSA-N 300.453 2.365 0 40 DEAB COC(=O)[C@H]1CCCN1Cc1cccc(C(=O)NCC(C)C)c1 71907787 WCOGJHRYJXANMM-MRXNPFEDSA-N 318.417 2.210 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)Nc1cccnc1 69456309 BVDODDICFHJDIK-LLVKDONJSA-N 309.391 2.330 0 40 DEAB CCC[C@H](C)NC(=O)CSc1nc(-c2ccncc2)n[nH]1 8474661 ZTZWCNYTUQVKHW-JTQLQIEISA-N 305.407 2.264 0 40 DEAB CCn1cc(CN2CCCN(C(=O)c3ccoc3C)CC2)cn1 69598162 BYFTZOPPTSSZRX-UHFFFAOYSA-N 316.405 2.153 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)n1 69701294 ZPWJVPMJHPVMJU-ZDUSSCGKSA-N 316.409 2.068 0 40 DEAB Cc1noc2ncc(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)cc12 69872822 COHZSKFVICWZRX-HUUCEWRRSA-N 314.389 2.230 0 40 DEAB Cc1nc(NC(=O)CN2CCC[C@H]2Cn2cccn2)sc1C 69893738 FUVDFRIHLSIZQI-ZDUSSCGKSA-N 319.434 2.060 0 40 DEAB CCc1ccc2nc(NC(=O)C3=NN(C)C(=O)CC3)sc2c1 8771324 SWUVAEMJNLTJEK-UHFFFAOYSA-N 316.386 2.405 0 40 DEAB Cc1ccc(CNC(=O)[C@@H](C)OC(=O)c2cc(C)no2)cc1 18598016 QQMPTNVPOOZLHA-GFCCVEGCSA-N 302.330 2.153 0 40 DEAB Cn1c(SCC(=O)c2ccc[nH]2)nc2ccsc2c1=O 9049156 MJLUEFIDMSRMRB-UHFFFAOYSA-N 305.384 2.298 0 40 DEAB C[C@@H](CN1C(=O)N[C@H](CC(F)F)C1=O)Oc1ccccc1F 95992596 SLAUPOPZMORLPC-WCBMZHEXSA-N 316.279 2.169 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)CCOC[C@H]3CCCO3)C2)n[nH]1 84110445 PIWYQGDZRAPWQQ-HUUCEWRRSA-N 321.421 2.010 0 40 DEAB CCc1c(C)nc2ccccc2c1N1CCN2C(=O)NC[C@@H]2C1 97046803 KTNSMUBILUOJCL-CYBMUJFWSA-N 310.401 2.319 0 40 DEAB Nc1cccc(CNS(=O)(=O)c2cc3ccccc3o2)c1 97094616 ZJFCDLAETLKDBO-UHFFFAOYSA-N 302.355 2.494 0 40 DEAB COC(=O)[C@H](O)C1CCN(Cc2ccc(Cl)c(C)c2)CC1 97057413 UDLXATOUWUZMMX-OAHLLOKOSA-N 311.809 2.394 0 40 DEAB CCN(CC)C(=O)C[C@@H](C)NC[C@@H]1COC2(CCCCC2)O1 95988208 JFKNJCLWXUNKFM-HUUCEWRRSA-N 312.454 2.299 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cnc(C)nc1C(C)C)C2 72285123 WUTWRWZDURFQFM-CYBMUJFWSA-N 313.405 2.158 0 40 DEAB Brc1ccc2c(I)n[nH]c2n1 87493337 BPMZJNIJZDEBIS-UHFFFAOYSA-N 323.919 2.325 0 40 DEAB CN(CC1(CO)COC1)[C@@H](c1ccc(F)cc1)c1cccnc1 89124663 PHLWZZXVUWLDMH-KRWDZBQOSA-N 316.376 2.251 0 40 DEAB C[C@@H](C1CC1)N(C(=O)CN1C(=O)CC2(CCCC2)C1=O)C1CC1 84636293 HWOFYWLIIVPKTD-LBPRGKRZSA-N 318.417 2.095 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(-c2cccnc2)cc1 75092003 NROLDKOEQKITCI-WBMJQRKESA-N 309.369 2.204 0 40 DEAB Cc1cc(-c2nc(-c3ccc(OCCN(C)C)cc3)no2)n[nH]1 546293829 BUNHRNIQJGPVTI-UHFFFAOYSA-N 313.361 2.376 0 40 DEAB O=C(O)C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 62716033 LMXACNYXZKBPOO-UHFFFAOYSA-N 323.356 2.092 0 40 DEAB Nc1cccc(-c2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 521398304 BPCDCMRCCNZOAE-UHFFFAOYSA-N 316.426 2.166 0 40 DEAB O=C1c2cccn2[C@H]2CN(Cc3ccccn3)C[C@H]2N1CC1CC1 306123718 AUNRHZVOJGXALJ-ZWKOTPCHSA-N 322.412 2.174 0 40 DEAB Cc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1[C@H](C)N 72224705 FIJMDIZTHHNBCA-LBPRGKRZSA-N 320.437 2.467 0 40 DEAB CN1CCC[C@@H](c2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 521396267 FUQPCHIUHLIOHR-SJORKVTESA-N 302.418 2.405 0 40 DEAB CN1CC[C@@H](Nc2cc(Br)c(F)cc2F)C1=O 187977614 CLSPNEREGFWNIJ-SECBINFHSA-N 305.122 2.370 0 40 DEAB CN(C)CC1(CNC(=O)N[C@H](CO)c2ccccc2)CCCC1 185181764 JENCYGLLYUMCOT-MRXNPFEDSA-N 319.449 2.141 0 40 DEAB COC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1 33600946 SGQOTTAAKSYMHY-UHFFFAOYSA-N 323.345 2.437 0 40 DEAB CCn1nc(C)c(CCC(=O)NCc2c(C)nn(C)c2C)c1C 72240463 TVVWQKOQYLEYMX-UHFFFAOYSA-N 317.437 2.119 0 40 DEAB CCOC[C@H]1CCN(C(=O)Nc2cnn(CC(F)(F)F)c2)C1 81632021 NMWNRLJZQFKCOD-JTQLQIEISA-N 320.315 2.336 0 40 DEAB S=C(NC[C@@H]1CCCO1)Nc1ncc(Cl)nc1Cl 223897741 NISUSJZKOUPBMU-LURJTMIESA-N 307.206 2.249 0 40 DEAB COc1ccc(C(=O)C2CCN(CC3(C(=O)O)CC3)CC2)cc1 570808638 VKABDFCIBKSWHT-UHFFFAOYSA-N 317.385 2.455 0 40 DEAB CC1CCC(O)(CN2CCC([C@@H](O)c3nccn3C)CC2)CC1 89925482 QACTWYXRFZGBOI-BFHRDPOASA-N 321.465 2.107 0 40 DEAB CC[C@@H](C)c1noc([C@@H]2CCCCN2S(=O)(=O)CC)n1 41122878 YMUGESRZXCDICG-MNOVXSKESA-N 301.412 2.460 0 40 DEAB Cc1cc(C)nc(N(C)CCN(C)c2nc(C)cc(C)n2)n1 96007020 MDOBBNSTBSSKRE-UHFFFAOYSA-N 300.410 2.073 0 40 DEAB C[C@@H](NC(=O)C1CC1)c1onc(-c2cccnc2)c1C(=O)O 96296987 IPNDYYWBBWTHSW-MRVPVSSYSA-N 301.302 2.022 0 40 DEAB biogenic,in-vitro CC(C)Oc1ncnc2c1CCN(CC1CCOCC1)CC2 96058786 VVIOZFDFAZZKMN-UHFFFAOYSA-N 305.422 2.091 0 40 DEAB CC(=O)N1CC[C@@H]2O[C@H](COCc3csc(C)n3)CC[C@@H]21 97953326 WVSXUJFXZKKPQS-KKUMJFAQSA-N 310.419 2.137 0 40 DEAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3cccn3C)c2)n1 96442598 QJBIMCAXWQDHKN-UHFFFAOYSA-N 309.325 2.303 0 40 DEAB O=C(Cc1cccs1)N1CCC[C@@H](c2ccnc(O)n2)C1 257307685 SZVDHURAYMPBGD-LLVKDONJSA-N 303.387 2.192 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cncc(-c3cnn(C(C)C)c3)n2)C1 257334750 YHGGHTIAEBAVOY-AWEZNQCLSA-N 313.405 2.332 0 40 DEAB Cn1nccc1C(=O)N1CCO[C@@H](Cc2ccc(Cl)cc2)C1 257336497 YOSNSIHNHHRTBP-AWEZNQCLSA-N 319.792 2.157 0 40 DEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NCc1ccncc1 253399279 ITFHHWGNVURMDX-NSHDSACASA-N 324.340 2.115 0 40 DEAB biogenic,in-vitro CCc1noc(C)c1C(=O)N[C@H]1CCCN(c2ccccn2)C1 257244585 ILYKFZLZNWYTFF-ZDUSSCGKSA-N 314.389 2.339 0 40 DEAB CNc1ncc(CN2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)cn1 585286818 VNSCGXMDOYCEDV-WMLDXEAASA-N 304.438 2.688 0 40 DEAB NC(=O)c1ccccc1NC(=O)CSc1ccccc1N 37035147 RRORCVCFXIKMDQ-UHFFFAOYSA-N 301.371 2.099 0 40 DEAB Cc1cc(OCC2CCN(C(=O)c3cnccn3)CC2)ccn1 1775995492 YZMQHOBDEFSHOW-UHFFFAOYSA-N 312.373 2.111 0 40 DEAB Cc1nccn1CCCNC(=O)Nc1ccc2c(c1)OCO2 47318378 LZRJFYKQZICXHN-UHFFFAOYSA-N 302.334 2.132 0 40 DEAB CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1 51443472 CPMGCISKMGEWGX-LBPRGKRZSA-N 324.808 2.424 0 40 DEAB CCS[C@@H]1CCC[C@@H](NC(=O)c2c(C)c(C)nn(C)c2=O)C1 75093926 QFMHVXDBZJMFTL-CHWSQXEVSA-N 323.462 2.191 0 40 DEAB Cc1cn2cc(C(=O)NCCCCn3ccnc3C)sc2n1 89702190 NHXIWPGILXGGEA-UHFFFAOYSA-N 317.418 2.419 0 40 DEAB CCCOc1ccc(CN[C@H](C(N)=O)C(C)(C)C)cc1OC 97162406 ALXHAVWHNKDBLR-OAHLLOKOSA-N 308.422 2.474 0 40 DEAB CC1(C2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)OCCO1 95416043 GXMLSKQTZMPXGP-UHFFFAOYSA-N 315.373 2.178 0 40 DEAB O=S(=O)(Nc1ccnc(Cl)c1)c1ccc2c(c1)CCO2 95994102 FWBMFVBBSIBGJE-UHFFFAOYSA-N 310.762 2.471 0 40 DEAB CC(C)(C)OC(=O)[C@H]1CC[C@@H](O)CN1C(=O)OC(C)(C)C 211523354 JQJWQBUZYXWGTH-GHMZBOCLSA-N 301.383 2.089 0 40 DEAB CC[C@]1(C(=O)OC)C[C@H](C(=O)O)[C@@H](c2ccc(F)cc2)N1C 12336701 VKNSHFZHNUXUHI-WOSRLPQWSA-N 309.337 2.225 0 40 DEAB CC(=O)NC(=S)Nc1ccccc1-c1ccc(C(=O)O)o1 226350304 RXOQMMOOZABVEM-UHFFFAOYSA-N 304.327 2.478 0 40 DEAB COc1ccc([C@@H]2Cn3ccnc3CN2Cc2cncn2C)cc1 643914141 MELMIQUADYDLPW-KRWDZBQOSA-N 323.400 2.382 0 40 DEAB Cc1nc(C(=O)N2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)cs1 1889116546 HEPHRQZWHDNWIP-OCCSQVGLSA-N 314.414 2.197 0 40 DEAB O=C(Nc1ccc(F)c(F)c1)c1cnc2sccn2c1=O 6480344 DJLXOJUSQKOCMK-UHFFFAOYSA-N 307.281 2.287 0 40 DEAB Cn1cc(-c2cc(CNC(=O)Cc3cccs3)ccn2)cn1 575618422 MYFWQTZCWKGEPS-UHFFFAOYSA-N 312.398 2.403 0 40 DEAB CC(C)(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20058070 ZDJXGDYJPOUJHN-UHFFFAOYSA-N 318.417 2.496 0 40 DEAB O=C(Cc1ccsc1)Nc1ccc(N2CCOCC2)cn1 30974356 NORFEOWAGWBKCN-UHFFFAOYSA-N 303.387 2.161 0 40 DEAB O=C(Cc1csc(-c2ccsc2)n1)NCc1cc[nH]n1 40436551 AESNJXXAAKJQEQ-UHFFFAOYSA-N 304.400 2.454 0 40 DEAB CC(=O)c1cccc(S(=O)(=O)N(C[C@H]2CCOC2)C2CC2)c1 32469254 RPUCALWEJXYRIL-CYBMUJFWSA-N 323.414 2.079 0 40 DEAB CN(C)c1ncccc1CNC(=O)[C@]1(C)CC1(Cl)Cl 32687918 NPJMUEYXCAILMJ-LBPRGKRZSA-N 302.205 2.348 0 40 DEAB CC(C)Cn1nnnc1SCC[S@](=O)c1ccccc1 32931534 CYJAPNKKXQVEHU-HXUWFJFHSA-N 310.448 2.229 0 40 DEAB O=C(CCn1ncc(=O)c2ccccc21)NCc1cccs1 52894392 JKYFRLQUTQTLKG-UHFFFAOYSA-N 313.382 2.165 0 40 DEAB Cc1cc(N2CCC[C@H]2c2nnc3n2CCCCC3)nc(N)n1 54055988 UEGASLFKIWSSIZ-LBPRGKRZSA-N 313.409 2.027 0 40 DEAB O=C(NCCN1CCCCC1)c1nc(-c2ccc(F)cc2)no1 12408939 RWNLPYWHFYQLFM-UHFFFAOYSA-N 318.352 2.091 0 40 DEAB CC(C)(C)C(=O)N1CCC(C(=O)OCC(=O)c2ccc[nH]2)CC1 24280320 KDXIRBDHUFXHLS-UHFFFAOYSA-N 320.389 2.025 0 40 DEAB COCCOc1ccc(NC(=O)Nc2cn(C)nc2C)cc1 78870008 WRJYELKAIGRETR-UHFFFAOYSA-N 304.350 2.398 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccccc1 24480274 YXOBGOLUMJCOIZ-QEJZJMRPSA-N 323.414 2.181 0 40 DEAB CCC(C)(C)C1CCC(NS(=O)(=O)N2CCOCC2)CC1 55414185 SIHMLWUSIUJBSD-UHFFFAOYSA-N 318.483 2.148 0 40 DEAB COCCNC(=O)CCCc1nc(-c2cccc(C)c2)no1 4433751 HHUWJYOILYASEH-UHFFFAOYSA-N 303.362 2.130 0 40 DEAB NC(=O)c1cc(Cl)ccc1OCC(=O)N1CCCCCC1 6127776 UMWXQQOIABRSFB-UHFFFAOYSA-N 310.781 2.220 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)c3ccccc3C2=O)c1C 6600861 BUYPLUSOFCXZBU-UHFFFAOYSA-N 324.336 2.313 0 40 DEAB CCC[C@H](NC(=O)c1c(C)c(C)nn(C)c1=O)c1ccccn1 95450386 PUVLCLZOUGFERS-AWEZNQCLSA-N 314.389 2.063 0 40 DEAB CCc1cc2c(N3CCC[C@H](c4nnn[nH]4)C3)ncnc2s1 95467642 NHAWAKQKONTXLI-VIFPVBQESA-N 315.406 2.151 0 40 DEAB CC(=O)c1cccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)c1 20156400 HZKOYGWIEIEKMX-UHFFFAOYSA-N 318.354 2.033 0 40 DEAB COc1ccccc1CNC(=O)N1CCCC[C@H]1CN(C)C 58065497 AHMLBZXNVDNHKO-HNNXBMFYSA-N 305.422 2.321 0 40 DEAB CCOc1cc(CN[C@@H]2CCCNC2=O)ccc1OC(F)F 58098825 WQRXLNNNFZWENJ-LLVKDONJSA-N 314.332 2.055 0 40 DEAB Cc1nnc(NC(=O)NC[C@H](C)N(C)c2ccccc2)s1 44937024 LKYRAZWHSMTDKM-JTQLQIEISA-N 305.407 2.493 0 40 DEAB O=C(NCc1nnc2n1CCC2)Nc1cccc(OC(F)F)c1 47908584 ALXMJIGADOUDLL-UHFFFAOYSA-N 323.303 2.147 0 40 DEAB Cc1noc(CCN[C@@H]2C[C@H](C)CN(Cc3ccccc3)C2)n1 97095424 AUKORDGPVITEPL-WMLDXEAASA-N 314.433 2.421 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(-n2ccnc2)cc1 24049740 ZSTWSZVJQWXOIR-UHFFFAOYSA-N 319.324 2.294 0 40 DEAB CCN(Cc1cccc(C)c1)C(=O)c1c[nH]c2c(cnn2C)c1=O 97080357 RFWYMACMMVDGAM-UHFFFAOYSA-N 324.384 2.232 0 40 DEAB CS(=O)(=O)c1ccc(C(=O)N2CCc3sccc3C2)cc1 10923045 SERDQGDEHDMLRI-UHFFFAOYSA-N 321.423 2.350 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)CCc3ccccn3)C2)no1 72231713 ODBKAFOANUIEKT-CYBMUJFWSA-N 300.362 2.112 0 40 DEAB COCCCCNC(=O)N1CCC[C@H]1c1nnc2ccccn12 46734885 MKAOVVRXVCGOQU-ZDUSSCGKSA-N 317.393 2.002 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 72297004 NFEWZKMQFJZZBQ-KCJUWKMLSA-N 301.325 2.273 0 40 DEAB Cc1noc(C(C)C)c1C(=O)Nc1nc(CC(=O)O)cs1 37433771 VFYZOZJBTNSIOM-UHFFFAOYSA-N 309.347 2.442 0 40 DEAB CCOCCCC(=O)Nc1ccn(CCCN2CCCC2)n1 72290130 PVCUDSZKKRGZBR-UHFFFAOYSA-N 308.426 2.124 0 40 DEAB O=C(O)C[C@@H](NC(=O)c1cnccn1)c1ccccc1Cl 48346275 OGNBARHGQVMGGX-LLVKDONJSA-N 305.721 2.076 0 40 DEAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)o1 3431430 XEMYVSWGEIUJSV-UHFFFAOYSA-N 303.270 2.112 0 40 DEAB CCOC(=O)[C@H]1CCCCN1C(=O)c1ccc2c(c1)OCCO2 60293252 SYLWINKZZXEGQS-CYBMUJFWSA-N 319.357 2.016 0 40 DEAB Cc1nn(C)c2sc(C(=O)NC3(C(=O)O)CCCCC3)cc12 13426281 WCJBIEDUUWVNCO-UHFFFAOYSA-N 321.402 2.461 0 40 DEAB CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc21 13587890 UXGBWTAKUZNVBG-MRXNPFEDSA-N 319.364 2.485 0 40 DEAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(O)cc2)[C@@H]1C 5061175 KMQWSQPEAMQTIM-LALPHHSUSA-N 305.374 2.490 0 40 DEAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCn1cncn1 65401468 SLDZLGHPPSYUNO-HNNXBMFYSA-N 301.394 2.151 0 40 DEAB CC(=O)NCCNc1ncnc2sc3c(c12)CC[C@H](C)C3 14019244 FGOBSMIEKWAVRQ-VIFPVBQESA-N 304.419 2.364 0 40 DEAB Cc1nnc(NC(=O)c2n[nH]c3c2COc2ccccc2-3)s1 96231027 INALALNACWVWPP-UHFFFAOYSA-N 313.342 2.381 0 40 DEAB O=C(CSc1ccc2ccccc2c1)NN1CCOCC1 14238573 HBPKBNDWQMGVOT-UHFFFAOYSA-N 302.399 2.295 0 40 DEAB C[C@H](CNC(=O)c1csnn1)c1nc(-c2ccccc2)no1 90013601 GMAKFIZZSIITHE-SECBINFHSA-N 315.358 2.122 0 40 DEAB COC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCC(C)CC1 15996193 IVMLPEIUYJCPHA-OAHLLOKOSA-N 304.390 2.212 0 40 DEAB CN(C)S(=O)(=O)c1cccc(C(=O)Oc2ccc(F)cc2)c1 7657114 RVQSODWHNPLCNY-UHFFFAOYSA-N 323.345 2.295 0 40 DEAB CCOC(=O)[C@H]1CCCN(Cc2cc(F)cc3c2OCOC3)C1 16047158 DZURKTXEXKVOIH-LBPRGKRZSA-N 323.364 2.467 0 40 DEAB O=C([C@@H]1CCCN1C(=O)c1ccc(F)cc1)N1CCSCC1 68361296 UHJZVIRBBPQQRL-AWEZNQCLSA-N 322.405 2.006 0 40 DEAB COc1ccc(C)cc1[C@H](C)NCC1CCS(=O)(=O)CC1 90882898 CTGQCLMLPGICCM-ZDUSSCGKSA-N 311.447 2.479 0 40 DEAB CCNC(=O)NCc1ccc(NC(=O)c2cscn2)cc1 81131302 FWBPXLOYBKELBD-UHFFFAOYSA-N 304.375 2.215 0 40 DEAB Cn1nc(CC(C)(C)C)cc1NC(=O)COC[C@@H]1CCCO1 71888534 BGRURTMGYNZGRH-ZDUSSCGKSA-N 309.410 2.143 0 40 DEAB CCO[C@@H]1CCCN(C(=O)c2cn(-c3ccc(C)cc3)nn2)C1 71825637 XFNIJUGQJCCKTN-OAHLLOKOSA-N 314.389 2.217 0 40 DEAB O=S(=O)(Nc1cccnc1-n1cccn1)c1ccccc1 71859401 AUDICXOPOKLYOJ-UHFFFAOYSA-N 300.343 2.068 0 40 DEAB CCN(C)S(=O)(=O)N(C)CC12CC3CC(CC(C3)C1)C2 72677183 CQBNILCONMQRAM-UHFFFAOYSA-N 300.468 2.331 0 40 DEAB O=C(CNC(=O)N[C@@H](c1ccc(F)cc1)C1CCC1)NC1CC1 71804012 UAMKJCHCHABKCP-MRXNPFEDSA-N 319.380 2.245 0 40 DEAB O=C1CC[C@@H](C(=O)N[C@H](COc2ccccc2)c2ccccc2)N1 71886479 YWNZYQSUEYVLMI-DLBZAZTESA-N 324.380 2.202 0 40 DEAB Cc1cnn(CC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2)c1 69560393 ICUIAIXSNLACNA-AWEZNQCLSA-N 300.406 2.005 0 40 DEAB O=C(NCC(=O)N1CCCC1)c1ccc(Cl)cc1Cl 17356410 VNWJIMNBFOZKLQ-UHFFFAOYSA-N 301.173 2.346 0 40 DEAB CC(C)(C)[C@H](O)CNC(=O)Nc1cccc(C(=O)NC2CC2)c1 69946223 JQVNZVFLBDWOSB-CQSZACIVSA-N 319.405 2.107 0 40 DEAB O=C(NC1CC1)[C@@H](c1ccccc1)n1nnc(-c2ccccc2)n1 8727747 YMVMYFICQIYYOJ-MRXNPFEDSA-N 319.368 2.208 0 40 DEAB COc1ncc(Cl)c(N2CCC[C@@H](Cc3noc(C)n3)C2)n1 95994741 RATTVTSOWKWWQT-JTQLQIEISA-N 323.784 2.289 0 40 DEAB O=C(Cn1cc(NC2CCSCC2)cn1)NC1CCCC1 95946547 PYWWPUDAYVJLSD-UHFFFAOYSA-N 308.451 2.249 0 40 DEAB C[C@@H](NC(=O)NCCc1cc2ccccc2o1)c1nncn1C 95960819 HOMSPMRLEISNRY-LLVKDONJSA-N 313.361 2.164 0 40 DEAB Cc1nc([C@H]2CN(CCOc3ccccc3Cl)CCO2)no1 95958079 ZSABQMJCCQQNHI-CQSZACIVSA-N 323.780 2.484 0 40 DEAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nn1cnc2ccccc21 27044092 AJMZGIDWOQGHQN-BDJLRTHQSA-N 309.325 2.335 0 40 DEAB CCc1nnc(COC(=O)c2cc3c(C)nn(C)c3s2)o1 22887464 XQEADDXEFSWTDN-UHFFFAOYSA-N 306.347 2.246 0 40 DEAB O=C(Cc1ccccc1)N1CCC(C(=O)N2CCCCC2)CC1 68781588 WTYKBANFKJTAFY-UHFFFAOYSA-N 314.429 2.480 0 40 DEAB CC(C)N1C(O)=NC(=O)C12CCN(Cc1ccccc1)CC2 31672218 ULAXKFPEZRSMIT-UHFFFAOYSA-N 301.390 2.186 0 40 DEAB O=C(c1ccccc1)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 39404043 VVAPASIPEYZFFR-MRXNPFEDSA-N 320.348 2.478 0 40 DEAB biogenic Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)N[C@@H]1CCOC1 182766982 BOBSLIZVHRYQNN-KGLIPLIRSA-N 306.410 2.442 0 40 DEAB NC(=O)c1cccc(CNCc2ccc3c(c2)OCCCO3)c1 77221096 OYNNFCHGEUAJDK-UHFFFAOYSA-N 312.369 2.237 0 40 DEAB CCC[C@H](C)Nc1ccc(S(=O)(=O)NCC)cc1C(=O)O 217540954 GHDQEWJBQPVQHI-JTQLQIEISA-N 314.407 2.284 0 40 DEAB CCNc1ccc(S(=O)(=O)NC2CCCC2)cc1C(=O)O 217708565 GFPSMMUOUGKCBN-UHFFFAOYSA-N 312.391 2.038 0 40 DEAB O=S(=O)(NC[C@@H]1CCCCN1)c1ccc(Cl)cc1Cl 79440511 SDOWRVUKDREMNK-JTQLQIEISA-N 323.245 2.414 0 40 DEAB CC1(C)[C@@H](NCC(=O)N2CCOCC2)C[C@@H]1c1ccccc1 123702612 ZKJQFWSJSQYDHQ-CVEARBPZSA-N 302.418 2.017 0 40 DEAB CNC(=O)COc1ccc(CNC(=O)C2C(C)(C)C2(C)C)cc1 73005888 GSILTMUVLALEKS-UHFFFAOYSA-N 318.417 2.110 0 40 DEAB O=C(NC[C@H]1CCCO1)c1c[nH]c2c(Cl)cccc2c1=O 40285762 DCKDEWLDTCLCPS-SECBINFHSA-N 306.749 2.090 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 49659679 DTOQLXWEMNBNDH-NSHDSACASA-N 322.430 2.337 0 40 DEAB CCOCCCNC(=O)c1ccc2c(c1)OCC1(CC1)CO2 225367253 KBVGORZHLXOEPD-UHFFFAOYSA-N 305.374 2.394 0 40 DEAB O=C(OCc1nc(-c2ccc3c(c2)OCO3)no1)c1ccoc1 44836687 GADRNVKTBRQCFB-UHFFFAOYSA-N 314.253 2.415 0 40 DEAB C[C@H](CNC(=O)NC[C@@H](C)O)c1ccc(C(F)(F)F)cc1 192563384 KLLAXKRESHRLJX-NXEZZACHSA-N 304.312 2.489 0 40 DEAB O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCc2ccccc21 225708235 FGLYAPSCVGOUKR-OAHLLOKOSA-N 310.353 2.452 0 40 DEAB O[C@H](COCc1cccs1)Cn1nnc(-c2ccsc2)n1 193406577 BGBJFFBRNTUVNV-NSHDSACASA-N 322.415 2.041 0 40 DEAB C[C@@H](NCc1nnc(C2CC2)o1)c1ccc(-n2ccnn2)cc1 96492460 CSLFBRUSIUIXGO-LLVKDONJSA-N 310.361 2.379 0 40 DEAB C[C@@](O)(CNC(=O)NC1CCOCC1)c1ccccc1Cl 97378825 NCMFRYGXPLTSBS-OAHLLOKOSA-N 312.797 2.026 0 40 DEAB CCn1nnc2cc(C(=O)O[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)ccc21 96416285 JJQQTLGSZHCEJW-TUKIKUTGSA-N 315.373 2.422 0 40 DEAB COc1ncnc2c1CCN(C(=O)c1sccc1C)CC2 96084047 GSWXUDSYOIPJBK-UHFFFAOYSA-N 303.387 2.096 0 40 DEAB CC[C@@H](NC1CC(c2cccc(C)c2)C1)C(=O)N1CCOCC1 97373012 YYNFYZYXHXLXPY-DAWZGUTISA-N 316.445 2.468 0 40 DEAB CO[C@H]1CCN(C(=O)CC2CC2)[C@@H]2CN(Cc3ccco3)C[C@H]12 96109501 ATWXXVXOSBFKDA-BBWFWOEESA-N 318.417 2.127 0 40 DEAB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H]2CCCC[C@H]2O)c(C)c1 96420331 VLGUJDBFYHPNTN-LSDHHAIUSA-N 318.417 2.218 0 40 DEAB C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)Nc1ccsc1 96421728 VROVCKKVHJKQCM-VIFPVBQESA-N 314.370 2.381 0 40 DEAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1cccnc1)C2 96060244 ONWWIRPYBPNHGA-INIZCTEOSA-N 312.417 2.341 0 40 DEAB O=C(C1CCN(CC(F)F)CC1)N1CCO[C@H]2CCCC[C@@H]21 241465917 NSYMKAJBVAGJLV-KBPBESRZSA-N 316.392 2.134 0 40 DEAB CNc1cccc([C@@H]2CN(C(=O)c3cncc(C)c3)CCO2)n1 257324256 WNWOSWMLZJRFTI-HNNXBMFYSA-N 312.373 2.040 0 40 DEAB CCCCC(=O)N1CC2(CC[C@@H](CN3CCCCC3=O)CO2)C1 575405161 QLAZSRCLNCVMDL-HNNXBMFYSA-N 322.449 2.197 0 40 DEAB O=C(C[C@@H]1CN(C2CCC2)Cc2cccn2C1)N1CCCO1 585099095 LWJSIDOGLGQEDP-AWEZNQCLSA-N 303.406 2.026 0 40 DEAB CO[C@H]1CN(C(=O)c2cc[nH]n2)CC[C@@H]1Cc1ccc(F)cc1 585277546 ILMTUHGMXCVIQQ-CJNGLKHVSA-N 317.364 2.269 0 40 DEAB FC(F)(F)c1ccnc(N2CC(COc3cccnc3)C2)n1 1776000419 AJBFUVOTXGPYGO-UHFFFAOYSA-N 310.279 2.406 0 40 DEAB C[C@H](NC(=O)[C@@H](C)S(C)(=O)=O)c1ccc(F)c(Cl)c1 48927315 NLNNIGDRLYDJJQ-JGVFFNPUSA-N 307.774 2.089 0 40 DEAB O=C(NC[C@H](O)C1CC1)N[C@H](c1cc(F)ccc1F)C1CC1 74894090 JYVUXBMTFDULHE-GJZGRUSLSA-N 310.344 2.486 0 40 DEAB Cc1ccc([C@H](C)NC(=O)N[C@@H](C)CN2CCOCC2)cc1F 87037611 UYZBRKNUXBEXNW-KBPBESRZSA-N 323.412 2.215 0 40 DEAB O=C(COc1ccccc1F)NCc1cc(C2CC2)ncn1 585360497 KJFAMMDJMOXEOW-UHFFFAOYSA-N 301.321 2.188 0 40 DEAB Cc1ccc(-c2cnn3c2NN=C(S(C)(=O)=O)[C@H]3C)cc1 1548338227 MGIZIWLNDHFOIU-SNVBAGLBSA-N 304.375 2.203 0 40 DEAB CC(C)C(=O)N1CCC(n2nc(-c3cccs3)oc2=O)CC1 12145391 SPUBGFWFJOHNGN-UHFFFAOYSA-N 321.402 2.384 0 40 DEAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)C1CCCC1 12276134 LVTMNZZYIFRCDE-HNNXBMFYSA-N 313.401 2.482 0 40 DEAB Cc1cccc(N(C)Cc2cc(=O)n3nc(C)sc3n2)c1 15731811 WYNRBTYYWSESKA-UHFFFAOYSA-N 300.387 2.404 0 40 DEAB O=C(O)C[C@@H](SCC(=O)c1ccc(Cl)cc1)C(=O)O 16400711 JHJKOKQRFFIVKD-SNVBAGLBSA-N 302.735 2.184 0 40 DEAB COc1ccc(CN2C[C@@H]3CCCN3C[C@H]2C)c(OC)c1OC 19575100 WFZFKCYFUDZFMR-HIFRSBDPSA-N 320.433 2.381 0 40 DEAB COc1ccc(C(=O)O)cc1NS(=O)(=O)c1ccccc1 6269927 XLMCHCOTBHDABJ-UHFFFAOYSA-N 307.327 2.194 0 40 DEAB Cc1cc(CCC(=O)N[C@@H](Cn2ccnn2)C(C)C)ccc1F 575617282 VLCQTTJMMNTISI-INIZCTEOSA-N 318.396 2.499 0 40 DEAB O=C(c1cc(C2CC2)ncn1)N1CCN(c2ccccc2)CC1 1888853199 RXELCFPZUOXQQQ-UHFFFAOYSA-N 308.385 2.316 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc21 9572734 CGXVJHSNHRIPDD-UHFFFAOYSA-N 320.345 2.145 0 40 DEAB Cc1ccc2c(CC(=O)NCc3ccccn3)cc(=O)oc2c1 9704839 XZDBAXADRMMOCW-UHFFFAOYSA-N 308.337 2.355 0 40 DEAB c1ccc(-c2ccc(N3CCN(Cc4cocn4)CC3)nn2)cc1 1775973966 STEXFFDCBOVQCT-UHFFFAOYSA-N 321.384 2.454 0 40 DEAB CC(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1 2927553 HLCPWWPJTUGCEE-UHFFFAOYSA-N 310.309 2.436 0 40 DEAB biogenic CCCCN1C[C@H](C(=O)N2CCc3ccccc3C2)CC1=O 8270216 JODMFOAJBCXXMB-MRXNPFEDSA-N 300.402 2.220 0 40 DEAB CN(Cc1ccncc1)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 40512846 KHPKZGLPPVIHRY-CQSZACIVSA-N 313.332 2.305 0 40 DEAB Cc1nn(CN2CCO[C@@H]3CCCC[C@@H]32)c(=O)c2ccccc12 40555911 GHUYEEMWEKXEHY-DLBZAZTESA-N 313.401 2.306 0 40 DEAB C[C@H]1Sc2ccc(C(=O)Nc3nncs3)cc2NC1=O 21213016 RXUDXZAEMYCVGE-ZCFIWIBFSA-N 306.372 2.223 0 40 DEAB CC(C)CN1CCO[C@H](CNC(=O)c2c[nH]c3ccccc23)C1 32902621 MHWGOWCSOXVKTP-CQSZACIVSA-N 315.417 2.255 0 40 DEAB CC(C)NC(=O)N1CCC[C@@H](C(=O)NCCc2ccccc2)C1 32912958 QOUMWOBGZZSGCS-MRXNPFEDSA-N 317.433 2.175 0 40 DEAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCC(C(N)=O)CC2)o1 53275627 KDDWUCROKBAIBA-BXUZGUMPSA-N 304.390 2.060 0 40 DEAB Cc1cc(=O)n2nc(NC[C@@H]3CC3(Cl)Cl)sc2n1 23185258 NISHJBDDXUAHNQ-LURJTMIESA-N 305.190 2.065 0 40 DEAB CCOC(=O)N(C)c1ccc(NC(=O)[C@@H](C)n2cncn2)cc1 54312454 SBQWIQBKKYVXNS-LLVKDONJSA-N 317.349 2.071 0 40 DEAB O=C(Nc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2 211296 GCNFHMOHTNGJEA-UHFFFAOYSA-N 307.762 2.255 0 40 DEAB CC(C)(C)CC(C)(C)NC(=O)c1cnc2n(c1=O)CCS2 42705273 VFVQUICGMXIJAC-UHFFFAOYSA-N 309.435 2.294 0 40 DEAB C[C@@H]1c2cccn2CCN1C(=O)Cn1ccc(C(F)(F)F)n1 78379090 SEKPPEPVRYLSMC-SNVBAGLBSA-N 312.295 2.307 0 40 DEAB CCC(=O)N[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)cc2)C1 78611693 ZMHUDPUMBDYPIG-OAHLLOKOSA-N 302.374 2.020 0 40 DEAB CC(C)(C)NC(=O)Nc1cccc(Cn2cccnc2=O)c1 78733170 VJPKFQIMMKEEFH-UHFFFAOYSA-N 300.362 2.212 0 40 DEAB Clc1ccccc1-c1nnn(Cc2nnc(C3CC3)o2)n1 78917199 YKFONTKEZKBIFF-UHFFFAOYSA-N 302.725 2.302 0 40 DEAB CC(C)C[C@H](CO)NS(=O)(=O)Cc1ccccc1Cl 79060465 LIPAKGNZCNATLW-GFCCVEGCSA-N 305.827 2.166 0 40 DEAB CC[C@@H](C)c1c(N)n(S(=O)(=O)c2ccc(C)cc2)oc1=O 1690053 JIIAFFKUKJAABZ-SNVBAGLBSA-N 310.375 2.082 0 40 DEAB Cc1cccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2F)n1 24746605 AQODKEYQSJQMRW-UHFFFAOYSA-N 308.334 2.185 0 40 DEAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1[C@H]1CCCN1C 106661837 FAYXMHNIRYKKKP-NXOAAHMSSA-N 324.465 2.046 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCC[C@H](C)C2)c1C 4548597 BDZUTPJTUNFODO-JTQLQIEISA-N 320.389 2.249 0 40 DEAB CCOc1ccc([C@@H]2SC[C@H]3C(=O)N(C)C(=S)N23)cc1 1443754 ILESYISZDVEFBQ-AAEUAGOBSA-N 308.428 2.258 0 40 DEAB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(C(=O)O)c(O)c1 8051571 JYZJDIUEEJWQAH-UHFFFAOYSA-N 316.269 2.180 0 40 DEAB Cc1ccc2cc(C(=O)N[C@@H]3CCCCNC3=O)c(C)nc2c1 56977237 CTWBHNOSXDIQSD-OAHLLOKOSA-N 311.385 2.250 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 12598754 GGTPYJOFSKPHGI-UWVGGRQHSA-N 308.378 2.058 0 40 DEAB Cc1nnc(NC(=O)N2CCC(N3CCCCC3)CC2)s1 47938914 OUYZJEBZNXXFMQ-UHFFFAOYSA-N 309.439 2.329 0 40 DEAB Cn1ccnc1[C@](O)(CC(=O)NC1CCCCC1)C(F)(F)F 44895994 LAELKGONBGGURS-CYBMUJFWSA-N 319.327 2.009 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)CCn2cnc3ccccc32)C1 10237703 KVQZIZIQDHSBPH-ZDUSSCGKSA-N 307.419 2.098 0 40 DEAB Cn1cccc1[C@H]1CCCN1C(=O)NCCCn1cccn1 58268713 RTYQTDRDPJUSDF-OAHLLOKOSA-N 301.394 2.158 0 40 DEAB CN1CC[C@H](CNC[C@@H]2CNc3ccnn3C2)c2ccccc21 58300235 SJVQCKQKRBYYMU-HUUCEWRRSA-N 311.433 2.138 0 40 DEAB CC1CCN(c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 57332310 BOKGWUKBSJDQQK-ZDUSSCGKSA-N 302.374 2.360 0 40 DEAB CCC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F 2321994 SKGYFATYSVWUHR-UHFFFAOYSA-N 316.205 2.236 0 40 DEAB Cn1c(CNS(=O)(=O)c2ccccc2)nc2ccccc21 11615647 AMGKSEVCLIMWJZ-UHFFFAOYSA-N 301.371 2.052 0 40 DEAB Cc1nn(C)c2sc(C(=O)OCC(=O)c3ccc[nH]3)cc12 11970845 OABQCPLIOQHTGO-UHFFFAOYSA-N 303.343 2.311 0 40 DEAB Cc1ccc(C)c(OCC(=O)Nc2sccc2C(N)=O)c1 2645786 SUWDDCMNODPXBD-UHFFFAOYSA-N 304.371 2.481 0 40 DEAB CCN1C(=O)N[C@H](c2ccc(F)c(F)c2)[C@@H]2C(=O)CCC[C@@]21O 28466335 DBINCBPSBBSQJM-SQWLQELKSA-N 324.327 2.109 0 40 DEAB CCCN(CC1CC1)C(=O)Cn1nc(C)c2ccccc2c1=O 61111661 HRJFUMSBGTUOJZ-UHFFFAOYSA-N 313.401 2.354 0 40 DEAB CCn1nc(C)c2ncnc(N(C)Cc3c(C)nn(C)c3C)c21 57280208 BIJUQZDRLHXGGC-UHFFFAOYSA-N 313.409 2.141 0 40 DEAB COc1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1 12340839 WHRSIGLDOXVHFL-GDNBJRDFSA-N 308.362 2.466 0 40 DEAB COc1cc(/C=C/C(=O)O)ccc1OCC(=O)c1ccc[nH]1 48333903 QJQRQRABUFDVDF-FNORWQNLSA-N 301.298 2.383 0 40 DEAB O=C(O)[C@@H]1CC(=O)N(c2ccc3oc(-c4cccnc4)nc3c2)C1 57327017 SSYCLUVEOCHOFS-LLVKDONJSA-N 323.308 2.327 0 40 DEAB Cc1nnc(O)c2c1[C@H](c1ccc(C(C)C)cc1)n1nnnc1N2 10298504 HKHROGNPJSOMFR-AWEZNQCLSA-N 323.360 2.295 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(OCC(N)=O)cc2)cc1F 12916335 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5511873 RYXOJVLTKNOQBB-CJNGLKHVSA-N 316.401 2.449 0 40 DEAB COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccn3)cc2c1 9307797 JNIXHKIPESBQES-UHFFFAOYSA-N 323.352 2.204 0 40 DEAB CCNC(=O)c1cc(Cl)ccc1NC(=O)c1cnccn1 67170847 AGGQOTHDAVGUCC-UHFFFAOYSA-N 304.737 2.132 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1cccc(F)c1Br 169181544 URLCDXIIWIEZBG-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB CC(=O)c1ccc(C(=O)NCc2c(C)cc(C)[nH]c2=O)s1 7118675 OUHHMKBKHDSADG-UHFFFAOYSA-N 304.371 2.186 0 40 DEAB C[C@H](c1ccccn1)N(C)C(=O)c1ccc(S(C)(=O)=O)cc1 67998929 SJSJUIVDUWUMLI-GFCCVEGCSA-N 318.398 2.318 0 40 DEAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NCC(F)(F)F 7782626 KAKWRMDNGQHTBT-UHFFFAOYSA-N 319.323 2.425 0 40 DEAB NS(=O)(=O)c1cnc(N2CCC[C@@H]2c2cccs2)s1 68659554 DVBVHQASADLQHR-MRVPVSSYSA-N 315.445 2.194 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc(N(C)C)c1 69489669 VRLAMPAXYNLVTO-HOTGVXAUSA-N 316.449 2.237 0 40 DEAB CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)Nc1cccnc1 69456312 BVDODDICFHJDIK-NSHDSACASA-N 309.391 2.330 0 40 DEAB CCO[C@H]1CCCN(C(=O)[C@H]2CC(=O)Nc3ccccc32)C1 71825598 ONRXHHSEWFANEZ-JSGCOSHPSA-N 302.374 2.140 0 40 DEAB Fc1ccc(-c2ccn(CN3CCC4(CC3)OCCO4)n2)cc1 71892586 CSHWJAPSWRLFET-UHFFFAOYSA-N 317.364 2.486 0 40 DEAB CN(CCCN1CCOCC1)Cc1ccc(OC(F)F)cc1 71823540 VBUAKUHMQYNXOZ-UHFFFAOYSA-N 314.376 2.442 0 40 DEAB COC(=O)c1ccc(CSc2nc(=O)ccn2C(C)C)o1 71858619 UXYKMABOYXDZGM-UHFFFAOYSA-N 308.359 2.496 0 40 DEAB C[C@@H]1CN(C2CCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)CC2)CCO1 71837365 ZQBIQNAILHIKFR-VNQPRFMTSA-N 318.417 2.095 0 40 DEAB Cc1nnc(CNC(=O)c2ccc(Cl)c3cccnc23)n1C 71903933 JOYJXCUOPNYSDL-UHFFFAOYSA-N 315.764 2.255 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)CCCNC(=O)c2ccco2)C1(C)C 71915411 CZLOVQQGXBQOJE-KBPBESRZSA-N 322.405 2.109 0 40 DEAB Cc1cc(CNS(=O)(=O)c2cc(F)c(C)cc2F)on1 97016080 CIPBDMLOZLGIGQ-UHFFFAOYSA-N 302.302 2.048 0 40 DEAB CCc1cnc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)s1 97099216 AKMOEWRVAAFVER-QWHCGFSZSA-N 303.387 2.485 0 40 DEAB CCOC[C@H]1CCCN(C(=O)c2cc(CC(C)C)[nH]c(=O)c2)C1 97045169 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O=C(O)c1cccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)c1 28047552 CLPLSYMCYPMZOK-UHFFFAOYSA-N 317.326 2.062 0 40 DEAB COc1ccc(-c2ccc(S[C@H](C)C(N)=O)nn2)cc1OC 35314474 ZNJLAUKWXZPCPU-SECBINFHSA-N 319.386 2.127 0 40 DEAB O=C(Nc1cnc(CC2CC2)nc1)c1cc(O)nc(C2CC2)n1 515867764 RAUQGVPHRHGUGF-UHFFFAOYSA-N 311.345 2.054 0 40 DEAB CCOC(=O)[C@@H](Oc1ccccc1O)[C@H](O)c1ccccc1 526059772 VGWWYWFXWLRSIU-CVEARBPZSA-N 302.326 2.436 0 40 DEAB CC[C@@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccc2c(c1)CCC2 77845269 KBGRIMOOFIMXBX-KZULUSFZSA-N 318.417 2.027 0 40 DEAB O=C(NCC[C@H](O)C1CCOCC1)c1cc2ccccc2o1 217915846 XGRIUGHGPSAOQH-AWEZNQCLSA-N 303.358 2.340 0 40 DEAB CNC(=O)c1cccc(CNC(=O)CO[C@@H]2CCCC[C@@H]2C)c1 79038927 RQSGDUKCOWOPPY-XJKSGUPXSA-N 318.417 2.258 0 40 DEAB COc1ccc(S(=O)(=O)NCCCOC(C)C)cc1Cl 30289977 PWPJNNCMGPGQMI-UHFFFAOYSA-N 321.826 2.442 0 40 DEAB CCOC(=O)C1=NN(c2ccc(C)c(Cl)c2)[C@H](C(=O)O)C1 71979335 ZDMYAVREFVAYLM-LBPRGKRZSA-N 310.737 2.231 0 40 DEAB Cc1nnc2ccc(N[C@@H]3C[C@@H](C)N(c4ccccc4)C3=O)nn12 78461404 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O=C(c1cc(F)cc(Cl)c1O)N1CCC(n2ccnn2)CC1 96487042 DXPFXRRWVYJNFI-UHFFFAOYSA-N 324.743 2.254 0 40 DEAB c1cncc(O[C@H]2CN(Cc3ccco3)[C@H]3CCCO[C@H]23)c1 96058075 ZXMXPUKQUOWUER-ULQDDVLXSA-N 300.358 2.485 0 40 DEAB C[C@H](CC[C@H]1CCCO1)NC(=O)NCC[S@@](=O)C(C)(C)C 96408821 SALIJIMYINJEOZ-ZNLKAECVSA-N 318.483 2.181 0 40 DEAB O=C(C[C@@H]1CSCCS1)N1CCC(n2cccn2)CC1 96483611 KDHKHYBQYFKLDZ-CYBMUJFWSA-N 311.476 2.285 0 40 DEAB Cc1cc(C)nc(SC2=NS(=O)(=O)c3ccccc32)n1 95481861 WQIQDUPTTRZZFP-UHFFFAOYSA-N 305.384 2.335 0 40 DEAB c1coc(CN2CCO[C@@H]3CN(Cc4ccoc4)C[C@@H]3C2)c1 96206353 RIBATYPVQFJMOF-DOTOQJQBSA-N 302.374 2.205 0 40 DEAB Cn1cccc1C(=O)NCCc1nc(C(F)(F)F)cs1 96432834 IBZDKZJTGLBNKM-UHFFFAOYSA-N 303.309 2.473 0 40 DEAB O=C(NC1CC1)[C@H]1C[C@@H]2CCN(Cc3ccsc3)C[C@@H]2O1 96043233 UCVQFRRXAMLXGR-CFVMTHIKSA-N 306.431 2.006 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1Cc3ccccc3S1)C2 97199242 YKUOPFCSLQVTCP-UKRRQHHQSA-N 313.426 2.340 0 40 DEAB Fc1ccccc1OC[C@@H]1CO[C@@H]2CN(c3cnccn3)C[C@H]12 96220360 AIKWOXFHXCAOND-XJKCOSOUSA-N 315.348 2.146 0 40 DEAB CCc1ncnc2c1CCN(C(=O)COc1ccccc1)CC2 96255061 IMALMHPWPMYLTL-UHFFFAOYSA-N 311.385 2.045 0 40 DEAB NC(=O)N1CCC2(CC1)CCN(C(=O)c1ccsc1)CC2 96158432 HRSMFSCDVVOOEG-UHFFFAOYSA-N 307.419 2.145 0 40 DEAB Cc1cccn2c(CN3CCN(Cc4ccncc4)CC3)cnc12 97376951 IDKDICIHLCRGKH-UHFFFAOYSA-N 321.428 2.356 0 40 DEAB CCOC[C@@H]1CN(C(=O)CC2=CCCCC2)Cc2nnn(C)c21 96198523 DYRXFSOLNUEEIC-AWEZNQCLSA-N 318.421 2.168 0 40 DEAB CN1[C@H](CN2CCCC2)C[C@@H]2CN(Cc3ccoc3)CC[C@@H]21 96185584 SRHLQCDANJRIRA-SQNIBIBYSA-N 303.450 2.270 0 40 DEAB CCOC(=O)[C@@H]1CN(Cc2ccc(C)o2)Cc2ncn(CC)c21 96086863 NHMJTEVPTLYCNE-CQSZACIVSA-N 317.389 2.467 0 40 DEAB C1CC(N2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)CCO1 96070566 QJSIITFHDYWZTN-AEGPPILISA-N 319.405 2.278 0 40 DEAB CN(C)C(=O)N[C@H]1c2ccccc2[C@@H]2CN(c3ncccn3)C[C@@H]21 96251719 BHFGQFOFSKOLIN-JYJNAYRXSA-N 323.400 2.023 0 40 DEAB Cc1ccc(N2CCC3(CCN(C(=O)N(C)C)CC3)CC2)nn1 96047361 WVFXUMFJUALGEL-UHFFFAOYSA-N 317.437 2.149 0 40 DEAB COCCc1nnc(S[C@@H](C)c2c(F)cccc2F)n1N 96430395 POTKACLNHCBTPF-QMMMGPOBSA-N 314.361 2.312 0 40 DEAB Cc1cc(C)c2[nH]c(C(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)c(C)c2c1 257204265 ATTJXMOEZHVABV-CKEIUWERSA-N 316.401 2.097 0 40 DEAB Cc1cc([C@H]2CN(C(=O)Cc3c(C)noc3C)CCO2)ccn1 257295466 QYKIARSSENGCCQ-MRXNPFEDSA-N 315.373 2.137 0 40 DEAB CO[C@@H]1CCC[C@@H](NC(=O)C(C)(C)c2cccc(F)c2)[C@H]1O 257249978 JKMMRMCIOGHUPO-RBSFLKMASA-N 309.381 2.148 0 40 DEAB Fc1cccc(C2(c3nc(-c4nnc[nH]4)no3)CCOCC2)c1 265318022 UDYWDRZIMHJYAY-UHFFFAOYSA-N 315.308 2.090 0 40 DEAB CN(C)c1ccc([C@@H](O)CNC(=O)/C=C/c2ccco2)cc1 90611649 DOAOXAZBWMKPRK-SCOAYWHSSA-N 300.358 2.209 0 40 DEAB COC(=O)/C(=C/c1ccccc1OC(F)(F)F)NC(C)=O 669369648 DRIJIDWFUAXXGH-YFHOEESVSA-N 303.236 2.235 0 40 DEAB Cc1cnc(OC[C@H]2CCCN(C(=O)c3ccccn3)C2)nc1 1776000781 JNFYQMPEEOPLQY-AWEZNQCLSA-N 312.373 2.111 0 40 DEAB CCN1CCC[C@H](NC(=O)NCCCc2ccc(OC)cc2)C1 52560250 CVLSUMSDJXTOKN-INIZCTEOSA-N 319.449 2.411 0 40 DEAB COc1ccc(CNC(=O)N[C@H]2CCC23CCOCC3)cc1 585409930 WZSDJJIUWNZAMV-HNNXBMFYSA-N 304.390 2.454 0 40 DEAB O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1 5732203 ILJVELCGXXVXCY-UHFFFAOYSA-N 324.380 2.192 0 40 DEAB COc1ccc(-c2nnc(N(C)C(=O)[C@@H]3CCCO3)s2)cc1 5000270 WUYXSPRWGVRQLU-LBPRGKRZSA-N 319.386 2.356 0 40 DEAB O=C1N(Cc2ccco2)C(c2ccccc2)=N[C@]1(O)C(F)(F)F 5325430 YGTWRRKWNOSKCK-CQSZACIVSA-N 324.258 2.320 0 40 DEAB CCC[C@H](C)NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)CC 13610313 KYGFTNQGVMDZRC-LBPRGKRZSA-N 324.446 2.317 0 40 DEAB COc1ccc(CN2CCC[C@@H](c3nc(C)cc(=O)[nH]3)C2)cc1 19117950 BYBHMPMXNHHYSZ-OAHLLOKOSA-N 313.401 2.467 0 40 DEAB C[C@H](NC(=O)CCNC(=O)NC1CCCCC1)c1ccccn1 25406115 QETOHUHOWPEVMY-ZDUSSCGKSA-N 318.421 2.281 0 40 DEAB C[C@@H](NC(=O)c1cc2cccnc2n(C)c1=O)c1ccccc1 5303550 YFFJSHVMCHSONX-GFCCVEGCSA-N 307.353 2.425 0 40 DEAB O=C(NCc1cncc(N2CCCC2=O)c1)c1ccsc1 575621252 ZHHSUEJRCQINDF-UHFFFAOYSA-N 301.371 2.200 0 40 DEAB Cc1cc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)no1 70636332 UQPBZLIUXGWGDM-CYBMUJFWSA-N 314.263 2.163 0 40 DEAB Cc1ccc2ncn(CC(=O)N[C@H]3CCCC[C@@H]3C)c(=O)c2c1 40117038 DHNKNMDGFFMILB-ZFWWWQNUSA-N 313.401 2.400 0 40 DEAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)nc1 40411978 LSGKCYTZARYWST-LLVKDONJSA-N 304.733 2.305 0 40 DEAB COc1ncccc1C(=O)N(C)Cc1ccc2c(c1)OCO2 40496184 JHPMCHSRJNNCCS-UHFFFAOYSA-N 300.314 2.091 0 40 DEAB Cc1nn(C)c2ncc(C(=O)N3CCO[C@@H]4CCCC[C@H]43)cc12 40553875 INUPNIYGZPUKPT-HUUCEWRRSA-N 314.389 2.060 0 40 DEAB NC(=O)CC1CCN(Cc2ccc(F)c3cccnc23)CC1 51917992 ZXEQEMIBNSJODH-UHFFFAOYSA-N 301.365 2.461 0 40 DEAB CS[C@@H](C(N)=O)c1cccc(C(=O)c2ccccc2)c1N 21300197 FPRGALQPEHLMNK-OAHLLOKOSA-N 300.383 2.389 0 40 DEAB in-vitro COc1ccc(CC(=O)OCC(=O)c2ccc[nH]2)c(OC)c1 21595127 NMNMMNIDIAHESF-UHFFFAOYSA-N 303.314 2.001 0 40 DEAB Cc1cc(C(=O)N2CCc3ccccc3C2)ccc1-n1cnnn1 32817733 QEJLCLQTYBARBL-UHFFFAOYSA-N 319.368 2.169 0 40 DEAB CSc1ncccc1C(=O)NC[C@@H](C)N1C[C@H](C)O[C@H](C)C1 32828454 HHSZFNXQTSNYDG-UPJWGTAASA-N 323.462 2.031 0 40 DEAB CCCCn1c(SC[C@H](O)c2ccc(F)cc2)n[nH]c1=O 32901148 VFPGWYJEQSUBAC-LBPRGKRZSA-N 311.382 2.336 0 40 DEAB CCOC(=O)c1cccc(NC(=O)N[C@H](C(=O)OC)C(C)C)c1 543944 SFLCRBSUXWFKGG-ZDUSSCGKSA-N 322.361 2.182 0 40 DEAB O=C(CSc1nnc(NC2CC2)s1)c1ccc(O)cc1O 22173828 VJTVTFSIKIPHEK-UHFFFAOYSA-N 323.399 2.499 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2ccc(C)cc2)no1 41826519 NTPMQZYGJDBYNB-UHFFFAOYSA-N 302.330 2.331 0 40 DEAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2cncn2)cc1 42000464 GUWFMZXPNQOBNX-INIZCTEOSA-N 314.389 2.431 0 40 DEAB O=C(NCC(F)(F)F)[C@H]1CCCN1c1cnc2ccccc2n1 54058140 YZDXKBYORYAICH-GFCCVEGCSA-N 324.306 2.277 0 40 DEAB CC(C)[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 104866481 YOENTGLLUANYOQ-VXGBXAGGSA-N 324.446 2.172 0 40 DEAB C[C@H](CNC(=O)NCc1ccccn1)N1CCc2ccccc21 47596186 RZUIACVOEABZHJ-CQSZACIVSA-N 310.401 2.332 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cc(-c2cccs2)[nH]n1 78484377 GVKPYLAXJXNCRN-NSHDSACASA-N 304.419 2.352 0 40 DEAB COc1cc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)ncn1 79438966 RPNRMNYYINUCIR-LBPRGKRZSA-N 322.409 2.321 0 40 DEAB Cc1nnc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)s1 43412400 MWTLZQRGUJENPR-LLVKDONJSA-N 321.406 2.398 0 40 DEAB CCCN(C[C@H]1CCCCO1)C(=O)c1ccc2[nH]nnc2c1 106810889 YPWIHQQGURKMRI-CYBMUJFWSA-N 302.378 2.379 0 40 DEAB O=C(NCCc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 6305474 AZQLTWJCDVBWDL-INIZCTEOSA-N 301.317 2.324 0 40 DEAB CCc1nc2ccccc2n1CC(=O)N1CCO[C@H]2CCC[C@@H]21 56193520 VJFMEYDPRQMDKH-HOTGVXAUSA-N 313.401 2.379 0 40 DEAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1ncc(Cl)n1C 108182554 QYGXPLWDUXYCIP-SRVKXCTJSA-N 311.813 2.380 0 40 DEAB Cc1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)on1 12543112 VYZHWIFJLYZCAL-UHFFFAOYSA-N 314.389 2.296 0 40 DEAB Cc1ccc(C)c(NC(=O)[C@H](Cc2ccncc2)c2nnn[nH]2)c1 57523505 NCQRHAARLDRZNA-CQSZACIVSA-N 322.372 2.177 0 40 DEAB COc1ccc([C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C(C)C)cc1 44370874 JMZGHEPBXVOPCJ-PBHICJAKSA-N 318.417 2.377 0 40 DEAB O=C(Cc1csc(-c2cccnc2)n1)NCC1(O)CCCC1 72283850 JVWZMONBZDASLK-UHFFFAOYSA-N 317.414 2.169 0 40 DEAB COC(=O)[C@@H](NC(=O)NCCc1c[nH]c2ccccc12)C(C)C 2098326 QSTOERRKXZGKND-HNNXBMFYSA-N 317.389 2.207 0 40 DEAB biogenic Cc1nc([C@H]2CCCN(C(=O)c3nccnc3N)C2)sc1C 72297463 GSGCPHGXUWDZID-NSHDSACASA-N 317.418 2.152 0 40 DEAB c1ccc(-n2cc(CNCc3nnc4ccccn34)cn2)cc1 58166638 RHEGGPWYZXDJMO-UHFFFAOYSA-N 304.357 2.205 0 40 DEAB Cc1cc(CS(=O)(=O)c2nccn2-c2ccccc2C)on1 72271097 SLFRYJUGEGULIZ-UHFFFAOYSA-N 317.370 2.451 0 40 DEAB Cc1cc(C(=O)N2CCNC(=O)C2)c(C)n1C1CCCCC1 44893681 OCAGIEQXCHCUQK-UHFFFAOYSA-N 303.406 2.182 0 40 DEAB CCN(CC)c1ccc(N2C[C@@H](C(=O)OC)CC2=O)c(C)c1 57367102 IDVFCIAQGPRFKC-ZDUSSCGKSA-N 304.390 2.367 0 40 DEAB CN(C)C(=O)CNC(=O)Nc1cccnc1Oc1ccccc1 58267147 PTNPRWBAFVXAPU-UHFFFAOYSA-N 314.345 2.084 0 40 DEAB COc1ccccc1CNCC(=O)Nc1ccc(N(C)C)cc1 58445943 HXFVAQNZGDMZMX-UHFFFAOYSA-N 313.401 2.490 0 40 DEAB COc1ccccc1-n1nnnc1SCCc1ccccn1 12542343 SNUCDUCNDJORSW-UHFFFAOYSA-N 313.386 2.401 0 40 DEAB COCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28220932 IMWMMCZYOMRDOJ-AWEZNQCLSA-N 310.825 2.315 0 40 DEAB C[C@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)[C@H](C)CO1 45448572 DBWHSCHEMABEFG-MNOVXSKESA-N 321.402 2.367 0 40 DEAB CN(C)[C@@H](CNc1ncnc2c1cnn2C)C1CCCCC1 45802187 UDTMLBVLSRMGHO-AWEZNQCLSA-N 302.426 2.286 0 40 DEAB Cc1cccnc1NC(=O)c1ccc(NS(C)(=O)=O)cc1 11701171 GYZAAMNUHKKTKR-UHFFFAOYSA-N 305.359 2.014 0 40 DEAB CC[C@H](O)CCCNC(=O)Nc1cccc(-c2nnco2)c1 72303910 RNSPDLREGVIELJ-ZDUSSCGKSA-N 304.350 2.409 0 40 DEAB CC[C@@H](OC[C@@H](O)CN1CCN(CC)CC1)c1ccccc1 22030797 VSEBAVWJBVADMN-ZWKOTPCHSA-N 306.450 2.153 0 40 DEAB O=C(O)[C@@H]1CCN(Cc2ccc(F)cc2Br)C1 62134253 ZDMBWDWWNQPUFO-SECBINFHSA-N 302.143 2.495 0 40 DEAB O=C(Nc1ccccc1)C1CCN(CCCn2cncn2)CC1 48374416 WQDHERSWYLJCGK-UHFFFAOYSA-N 313.405 2.019 0 40 DEAB Cc1noc(C)c1Cc1ccc(C(=O)Nc2ccn(C)n2)o1 28246513 INTFKXBEAKQUEP-UHFFFAOYSA-N 300.318 2.461 0 40 DEAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@@H](C)CC[C@@H]1CCCO1 95409347 YMWBVGCCLSXMEY-UBHSHLNASA-N 321.425 2.068 0 40 DEAB CCOC(=O)Nc1ccc(S(=O)(=O)NCC(C)C)cc1 6206349 IOQPJDFBSFDYLI-UHFFFAOYSA-N 300.380 2.189 0 40 DEAB CC(C)c1cc(C(=O)N2CC[C@H](C(N)=O)C2)c2ccccc2n1 65538172 GGQNCPBSERWGSO-LBPRGKRZSA-N 311.385 2.306 0 40 DEAB COc1ccccc1N1C[C@@H](C(=O)Nc2nccs2)CC1=O 6646799 QGNDPRSWEPWVEL-JTQLQIEISA-N 317.370 2.143 0 40 DEAB COc1cccc(NC(=O)COC(=O)Cc2cccs2)c1 5786737 IFFNKAGILSHKDZ-UHFFFAOYSA-N 305.355 2.481 0 40 DEAB COc1ccc(C(=O)N2CCCC[C@@H]2c2ncc[nH]2)c(O)c1 94071855 IYUAEUSOBMHXSN-CYBMUJFWSA-N 301.346 2.491 0 40 DEAB O=C(c1cncc(Br)c1)N1CCN2CCCC[C@H]2C1 71839981 CQYLRVNCBWVGCP-ZDUSSCGKSA-N 324.222 2.154 0 40 DEAB CC(C)(C)c1nnc(CN2CCCC[C@H]2Cn2cncn2)o1 71878735 UHHJXOYPYVXMOT-LBPRGKRZSA-N 304.398 2.013 0 40 DEAB CC(=O)Nc1cccc(COC(=O)[C@H]2C[C@@H]2c2cnn(C)c2)c1 71859305 WDLFUUPXRVMSSY-CVEARBPZSA-N 313.357 2.225 0 40 DEAB CN1CCN(c2ncc(C(N)=O)cc2Cl)Cc2ccccc21 68917819 WYPKIDVUSVBGPW-UHFFFAOYSA-N 316.792 2.290 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)CCc1ccccn1 83884507 YNUBKBVCDRPCGJ-LSDHHAIUSA-N 304.390 2.252 0 40 DEAB CC[C@H](C)c1ccccc1OCC(=O)N[C@@H](C(N)=O)C(C)C 70014560 BRUODMDOCXYPPR-BLLLJJGKSA-N 306.406 2.205 0 40 DEAB COc1cc(CN[C@H](C)Cn2cccn2)c2c(c1)C[C@@H](C)O2 69376759 LKGIFUBPBNVGNP-CHWSQXEVSA-N 301.390 2.393 0 40 DEAB Cn1ccc(NC(=O)NCCNc2ccc3ccccc3n2)n1 71911832 UQBIYJYTTXIENX-UHFFFAOYSA-N 310.361 2.202 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N1CCCN2CCC[C@H]2C1 69420994 AONSGGKUSKOITH-KRWDZBQOSA-N 324.428 2.491 0 40 DEAB CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C)cc2C)CC1 8477079 QDTHRQRTQCXESY-UHFFFAOYSA-N 324.446 2.304 0 40 DEAB c1ccc(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)nc1 69843593 BSCXMVALAATERE-HNNXBMFYSA-N 313.405 2.096 0 40 DEAB Cc1cccc(C2(CNC(=O)[C@@H]3CCC(=O)N3)CCCC2)c1 69843869 QMAUYHBRNNSWOA-HNNXBMFYSA-N 300.402 2.202 0 40 DEAB CCOC[C@@H](C(=O)OC)N(C)C(=O)C[C@@H](C)c1ccccc1 84801148 UHICROQBKXOOKJ-HIFRSBDPSA-N 307.390 2.217 0 40 DEAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CCN2CCCC[C@H]12 69351218 YKEAEIRXDQAFSU-JKSUJKDBSA-N 319.497 2.326 0 40 DEAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CCn1ccnn1 73969146 JRLLNYKTIOFFCR-HNNXBMFYSA-N 301.394 2.151 0 40 DEAB Cc1ccc(C(=O)N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 408617957 BMUQLUHRVBWDIK-WGGGBPLMSA-N 307.349 2.188 0 40 DEAB CCN1CCO[C@H](C(=O)N2CCC(OC3CCCCC3)CC2)C1 73192495 CWUOSUULYQOUBW-KRWDZBQOSA-N 324.465 2.047 0 40 DEAB Cc1nc([C@@H]2CCCN2C(=O)CC2CCCC2)ncc1C(N)=O 72345427 GEDONCHXVQPWGD-AWEZNQCLSA-N 316.405 2.128 0 40 DEAB O=C(NCc1ccccn1)[C@@H]1CCCCN1C(=O)c1ccccc1 79054376 TYISGCHCTFJXAN-KRWDZBQOSA-N 323.396 2.393 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCN(S(=O)(=O)c2ccccc2F)C1 72384924 NZTBZDMKQGYOQI-LLVKDONJSA-N 309.366 2.035 0 40 DEAB O=C(NCC1(c2ccccc2F)CC1)C(=O)Nc1cccnc1 77780850 JZITUARDAOUNMJ-UHFFFAOYSA-N 313.332 2.007 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)c2cc3c(s2)CCC3)cc1 40214554 FMYRCNSZUFOIKQ-UHFFFAOYSA-N 322.411 2.137 0 40 DEAB O=C(O)CCc1cccc([C@@H]2CCCN(c3cnccn3)C2)n1 72367023 CMTWNWWSFNFETO-CYBMUJFWSA-N 312.373 2.273 0 40 DEAB CN(C)c1ccnc(CNC(=O)Nc2ccc(F)cc2F)n1 224194279 JQGODLPQHRJBEK-UHFFFAOYSA-N 307.304 2.143 0 40 DEAB CC(C)(C)c1ncc2c(n1)CCN(CC1(CC(=O)O)CC1)C2 530164263 JEAOVHRAZFAHHA-UHFFFAOYSA-N 303.406 2.387 0 40 DEAB O=C(NCc1cccnc1-c1ccncc1)NC1CCOCC1 225750439 WPCNCGCHDKIGSD-UHFFFAOYSA-N 312.373 2.122 0 40 DEAB Cc1cc(CCNC(=O)N2CC3(CCOCC3)[C@@H]2C(C)C)on1 573338923 LSTCPSRUMQUASO-HNNXBMFYSA-N 321.421 2.372 0 40 DEAB Cc1cc(C(=O)NCCc2cnc(-c3ccccc3)nc2)no1 225590634 YACLOTVMJSELLU-UHFFFAOYSA-N 308.341 2.413 0 40 DEAB CC[C@H](CNC(=O)N1CCC[C@H](CO)C1)Oc1cccc(F)c1 84644567 UGIGRCROEPWDFQ-DZGCQCFKSA-N 324.396 2.397 0 40 DEAB Cn1cc([C@](C)(O)CNc2ccc(C(F)(F)F)cn2)cn1 96421029 KPWBCGCMSNYVAG-GFCCVEGCSA-N 300.284 2.154 0 40 DEAB O=C1C[C@@]2(CCCCN2C(=O)C2CCC2)CN1c1cccnc1 96071733 QKSZMFHTEJOIDO-SFHVURJKSA-N 313.401 2.370 0 40 DEAB Cc1nn(-c2ccccc2)cc1C(=O)N(C)[C@H](C)C[S@@](C)=O 97373364 GJYSAPWGANRTDD-IPQOISQHSA-N 319.430 2.020 0 40 DEAB C[C@H](NC(=O)N1CCO[C@H](Cc2ccccc2)C1)[C@@H]1CCOC1 96494007 GPHBZYJKEWDBCF-USXIJHARSA-N 318.417 2.065 0 40 DEAB CCc1nc(C[S@](=O)[C@H](C)C(=O)NCC(C)C)cs1 96402533 HKGQGESCFBUOTR-GIGQVBGESA-N 302.465 2.115 0 40 DEAB CCOCc1nc(N(C)C)ncc1C(=O)NC1CCCCC1 94992713 AHEKTQUEGZOYDV-UHFFFAOYSA-N 306.410 2.142 0 40 DEAB C[C@@]1(NS(=O)(=O)c2cccc3c2OCCO3)CC=CCC1 333923470 SEZYFPSAGJJVLD-OAHLLOKOSA-N 309.387 2.235 0 40 DEAB O=C(CCc1ccccc1)N1CC[C@H]2[C@H]1CCN2c1ncccn1 96184835 WGWCVZWTJYAQMS-SJORKVTESA-N 322.412 2.289 0 40 DEAB CC(=O)N1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cccnc1 257253314 JYKBXYORGMMCHS-RDJZCZTQSA-N 301.390 2.087 0 40 DEAB CCn1nccc1-c1cc([C@H]2CCCN(C(C)=O)C2)nc(C)n1 257272923 NEKOXPNUJWYKBJ-AWEZNQCLSA-N 313.405 2.394 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)C2CCC(F)(F)CC2)n1 257304459 SLTWKCPUMJKTPP-GFCCVEGCSA-N 313.348 2.444 0 40 DEAB CO[C@]1(COc2ccc(F)cc2)CCN(C(=O)c2cnco2)C1 585274404 KPDJGZOGFAHYJV-MRXNPFEDSA-N 320.320 2.124 0 40 DEAB CN(Cc1cnn(-c2ccccc2)c1)c1ccc(C(N)=O)cn1 69150389 RPJGTGCRHRHQNC-UHFFFAOYSA-N 307.357 2.003 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)CSc1ccccc1 71903708 NAOXOTJYFMQVPN-LBPRGKRZSA-N 315.460 2.060 0 40 DEAB O=S(=O)(Nc1ccc(-n2ccnc2)nc1)c1cccc(F)c1 75128441 UICNIXZPZCABJV-UHFFFAOYSA-N 318.333 2.207 0 40 DEAB CCOC(=O)N1CCC(NCc2cn3ccsc3n2)CC1 89144197 PJXJNBWHALTZKH-UHFFFAOYSA-N 308.407 2.106 0 40 DEAB O=C(CCc1ccco1)N[C@@H]1CCS(=O)(=O)c2ccccc21 11001299 ZRKSUKLXUYPUCR-CQSZACIVSA-N 319.382 2.247 0 40 DEAB Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCCC(=O)O)c1C 11691636 DQTZCCVUEHEVIV-UHFFFAOYSA-N 313.419 2.354 0 40 DEAB CSc1ccc2c(c1)s/c(=N\C(=O)c1ccn(C)n1)n2C 11695612 FTOJJWBLDCGQPC-PFONDFGASA-N 318.427 2.436 0 40 DEAB COc1ccc2cc(C(=O)N[C@H]3CCCN(C)C3)n(C)c2c1 12148351 ATRKBMWKNKHOJZ-ZDUSSCGKSA-N 301.390 2.011 0 40 DEAB COc1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 12795249 IOOKXTRKTVMOAS-UHFFFAOYSA-N 303.339 2.040 0 40 DEAB C[C@@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccccc1C(F)(F)F 19575292 NEGDXXNUJDBBQV-MRVWCRGKSA-N 314.351 2.345 0 40 DEAB COCC(=O)N1C[C@@H](c2cccc(F)c2)[C@@H]2NCCCCC[C@H]21 19592967 UNYKIOJWPRPNJC-JZXOWHBKSA-N 320.408 2.299 0 40 DEAB CN(C)c1cccc(C(=O)NC[C@](C)(O)Cc2ccco2)c1 206613692 BNNRUEQZYPWTTR-QGZVFWFLSA-N 302.374 2.069 0 40 DEAB Cc1cc(CCNC(=O)c2cn(C(C)C)nn2)cc(C)c1O 505387111 FGKRGLNIETYNLK-UHFFFAOYSA-N 302.378 2.154 0 40 DEAB c1nc(N[C@H]2CCN(C3CCOCC3)C2)c2ccsc2n1 1889077175 SGDBYKMIYZTIJL-NSHDSACASA-N 304.419 2.357 0 40 DEAB CC(=O)N[C@@H]1CCOC2(CCN(Cc3csc(C)n3)CC2)C1 2037834906 GGLSHRJGCBKSCD-CQSZACIVSA-N 323.462 2.101 0 40 DEAB CC(C)N1C(=O)OC[C@H]2CCN(C(=O)c3cccnc3)CC[C@@H]21 2037984500 CQXJQWVWAKPCDA-CABCVRRESA-N 317.389 2.163 0 40 DEAB CCOC(=O)CCC(=O)NCc1ccc2c(c1)cc(C)n2C 4057336 FJCFORPMDZJQJY-UHFFFAOYSA-N 302.374 2.446 0 40 DEAB CCN(CC)CCCNC(=O)C(=O)c1c[nH]c2ccccc12 4163107 KYCPGUSJRYVRRB-UHFFFAOYSA-N 301.390 2.199 0 40 DEAB COc1cccc(N2C(=O)[C@@H]3[C@@H](N=NN3c3ccccc3)C2=O)c1 101261245 HTKJKSDXDYLSMD-CABCVRRESA-N 322.324 2.193 0 40 DEAB CCOc1ccc2[nH]cc(C(=O)NCc3ccccc3)c(=O)c2n1 33975043 DGFVZQGXKQCQGK-UHFFFAOYSA-N 323.352 2.252 0 40 DEAB CC(=O)c1cc(C)c(O)c(Cc2c(O)cc(C)oc2=O)c1O 203452202 YDPQBRNETZDLEY-UHFFFAOYSA-N 304.298 2.167 0 40 DEAB biogenic,in-vitro C[C@@H]1CN(C(=O)c2ccc(OCC(F)(F)F)nc2)C[C@@H](C)O1 40486039 MVTLMDTVLPMDPC-NXEZZACHSA-N 318.295 2.272 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3nc(C(C)C)cs3)nn12 40468752 RPASLXUJENJAOL-UHFFFAOYSA-N 302.363 2.265 0 40 DEAB Cc1ccc(C)c(NC(=O)NC[C@H](O)CN2CCCCC2)c1 40525190 WJLPFCWAUQFAIM-HNNXBMFYSA-N 305.422 2.272 0 40 DEAB Cc1cc(C(=O)COc2cccc(S(C)(=O)=O)c2)c(C)n1C 40538796 VWRXDJVMRXPPIU-UHFFFAOYSA-N 321.398 2.307 0 40 DEAB Cc1cc(N2CCC(CN3CCCCCC3)CC2)nc(N)n1 52074447 ASKBYHIEHCYWSR-UHFFFAOYSA-N 303.454 2.460 0 40 DEAB NC(=O)[C@H]1Cc2ccccc2CN1c1ncnc2ccsc12 32853459 PYYZSDKQSYIBNN-CYBMUJFWSA-N 310.382 2.108 0 40 DEAB O=C(NCCN1CCc2sccc2C1)c1cc(C2CC2)[nH]n1 53269229 JJUNAEWNDFGTTH-UHFFFAOYSA-N 316.430 2.137 0 40 DEAB CC(=O)N[C@@H](CC(=O)N1C[C@H](C)O[C@H](C)C1)c1ccc(C)cc1 22241131 JSXBUNZRBRKSKB-VBQJREDUSA-N 318.417 2.198 0 40 DEAB Nc1nc(N)c(-c2ccccc2)c(C(=O)Nc2nccs2)n1 408390 XGDBVYPSZGYLPA-UHFFFAOYSA-N 312.358 2.017 0 40 DEAB COc1ccc(Cl)cc1CN1CCN(c2ncccn2)CC1 24060379 GIIQQKLIXHQBBA-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB O=C(CCCc1nnc(-c2ccccc2)o1)NC[C@H]1CCOC1 43042981 SFMVHRNHKXPISI-CYBMUJFWSA-N 315.373 2.212 0 40 DEAB COc1ccc(CNCCc2cnn(C)c2)c(Cl)c1OC 78796759 WNCWRQZFGOUQMG-UHFFFAOYSA-N 309.797 2.423 0 40 DEAB C[C@@H]1C[C@H]1NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2 78878203 UHPCLQXNMBFANG-MWLCHTKSSA-N 300.314 2.251 0 40 DEAB C[C@H]1CN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CCO1 43136481 XZOFFMQPXFDDCG-LSDHHAIUSA-N 321.421 2.237 0 40 DEAB CC(=O)OC[C@@H]1CCC[C@@H](n2cnc3c(Cl)ncnc32)O1 1675219 AHZABOWLZLLHTP-UWVGGRQHSA-N 310.741 2.111 0 40 DEAB C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@H](c2nnn[nH]2)C1 95976991 KWTJAQQGHVISAR-OLZOCXBDSA-N 321.425 2.034 0 40 DEAB CC(C)OC(=O)[C@@H]1[C@H]2C=C[C@]3(CN(C4CCCCC4)C(=O)[C@H]13)O2 3903742 NBRKDTGLWWFFIZ-ZXFNITATSA-N 319.401 2.053 0 40 DEAB COc1c(C)cnc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 106857014 GEKCYXXOVPMZGP-DDHJSBNISA-N 312.369 2.014 0 40 DEAB Cc1cc(CN(C)C(=O)NCCc2ccc3c(c2)OCO3)no1 43889495 CANFQMJXWMJEFA-UHFFFAOYSA-N 317.345 2.096 0 40 DEAB C[C@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)O)c1 95976734 RWMGJUBHXFJITR-GFCCVEGCSA-N 300.358 2.474 0 40 DEAB COc1ccc(CN2c3ccccc3C(=O)CS2(=O)=O)cc1 57509433 FUPKQYIATKSZAA-UHFFFAOYSA-N 317.366 2.228 0 40 DEAB CCCCN(C)C(=O)Cn1cnc2ccc(Cl)cc2c1=O 57519977 ZVBRDTVCBVYXIV-UHFFFAOYSA-N 307.781 2.308 0 40 DEAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1cscn1 57992145 LFANQRWEYQGBBO-ZDUSSCGKSA-N 321.402 2.149 0 40 DEAB CCCCOC(=O)CSc1nc2ccccc2c2nnnn12 58167192 HBPVBOCJMZQZND-UHFFFAOYSA-N 317.374 2.108 0 40 DEAB CS(=O)(=O)CCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 44977682 AYEZGFISDOUJLZ-UHFFFAOYSA-N 322.405 2.441 0 40 DEAB Cn1cc(CC(=O)NCc2ccc(C(N)=O)cc2)c2ccccc21 58313161 QEDMDSLYHVUTNV-UHFFFAOYSA-N 321.380 2.136 0 40 DEAB C[C@@H]1CN(C(=O)CCc2nc(-c3ccccc3)no2)[C@H](C)CO1 45447868 NXIKCMXBCCISEP-CHWSQXEVSA-N 315.373 2.305 0 40 DEAB COCCCNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1 57355934 OGQQSQPGLFEKIE-DOTOQJQBSA-N 318.417 2.057 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)s1 28226148 VVKWNOIWDADVNL-NXEZZACHSA-N 324.402 2.239 0 40 DEAB O=C(Nc1ccc2nccnc2c1)[C@@H]1CC(=O)N(C2CCCC2)C1 47178735 IXBCJXIJILRUQO-GFCCVEGCSA-N 324.384 2.359 0 40 DEAB CCCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n1C 2917084 ZGDCIKIXGIICKU-UHFFFAOYSA-N 312.373 2.106 0 40 DEAB COc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1 3392392 XLPGDOOAQYOVFO-UHFFFAOYSA-N 311.337 2.441 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCC(=O)N3)o1 48301491 QRLLIRXVUSOFLT-SNVBAGLBSA-N 300.314 2.410 0 40 DEAB CCOC(=O)c1ccc(NC(=O)CCN2CCSC2=O)cc1 12878737 CHHAVYJIXIQORE-UHFFFAOYSA-N 322.386 2.361 0 40 DEAB COCCC(=O)N1C[C@@H]2CN(Cc3ccc(Cl)cc3)[C@H]2C1 107798221 DUOMFXIYPSCYKN-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1coc(C)n1 22538448 OQBXBGMLGMHTPP-UHFFFAOYSA-N 320.301 2.039 0 40 DEAB COc1ccc([C@H](O)CNCc2c(C)nn(C)c2Cl)cc1 65463750 DPKOGDUWPKURCY-CQSZACIVSA-N 309.797 2.214 0 40 DEAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2cc(C)on2)cc1 14159778 WPOJVBXEHJKUKV-SNVBAGLBSA-N 303.318 2.347 0 40 DEAB CN(Cc1ccccc1)Cc1cccn1CCN1CCOCC1 4715644 BYCXLXQZYXWRRU-UHFFFAOYSA-N 313.445 2.452 0 40 DEAB C[C@H](C1CC1)N(C)S(=O)(=O)N[C@@H]1CCc2ccccc2C1 66901341 WMQDJVIQORMTCP-MLGOLLRUSA-N 308.447 2.109 0 40 DEAB CC1(C)C[C@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 90591498 AULWJRZDRPHQQV-QWRGUYRKSA-N 322.371 2.475 0 40 DEAB O=C1[C@@H](N2CCOc3ccccc3C2)CCN1CC(F)(F)F 71893069 RBUKRRIAZVHUDM-LBPRGKRZSA-N 314.307 2.044 0 40 DEAB O=C(CC1CCCC1)NCCNC(=O)N1Cc2ccccc2C1 71879854 UPALXODOHZCDIY-UHFFFAOYSA-N 315.417 2.408 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C1CCCCC1 71818168 HUUANIGGYKJHEQ-ZFWWWQNUSA-N 313.463 2.383 0 40 DEAB C[C@@H](NCc1cn(C)nc1-c1ccncc1)[C@@H](C)n1cccn1 69372371 ZWUKVWYBQMBHHP-ZIAGYGMSSA-N 310.405 2.418 0 40 DEAB O=C([C@@H]1CC(=O)N(c2ccccc2Br)C1)N1CCC1 71885446 PRNFQFMRZYDZGD-SNVBAGLBSA-N 323.190 2.034 0 40 DEAB c1ccc(N2CC[C@@H](CNC[C@@H]3CNc4ccnn4C3)C2)cc1 69490370 NVNAANUVDAYOEL-JKSUJKDBSA-N 311.433 2.041 0 40 DEAB COCc1ccc(CNC[C@H]2CNc3cc(C)nn3C2)cc1 69491223 OBVCEROXCDBPNQ-INIZCTEOSA-N 300.406 2.169 0 40 DEAB CNC(=O)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 8424179 RLONOJZFMXGGFW-UHFFFAOYSA-N 313.357 2.446 0 40 DEAB Cn1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)cn1 69530602 PXDXBBXKIBAGBX-UHFFFAOYSA-N 302.359 2.012 0 40 DEAB Cc1cnn(C[C@H](C)NCc2nnc(-c3occc3C)o2)c1 69535576 KIKJPQFXCRIBBR-LBPRGKRZSA-N 301.350 2.321 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc(C)nn1CC 69776701 JZTXNVPXIFGYCH-GJZGRUSLSA-N 304.438 2.300 0 40 DEAB COc1cc(F)ccc1NC(=O)NCC(=O)NC1CCCCC1 69759246 TWSZEFSFULWZGM-UHFFFAOYSA-N 323.368 2.405 0 40 DEAB O=C(Nc1cccc2cccnc12)c1ccccc1-n1cnnn1 8735579 AEUCHMMFHGDRQH-UHFFFAOYSA-N 316.324 2.463 0 40 DEAB c1ccc(-c2nc(CCNCc3cccc4cn[nH]c34)no2)nc1 84025141 MBNFNNMEFVUZHD-UHFFFAOYSA-N 320.356 2.340 0 40 DEAB O=C(NCc1ccc(-n2cncn2)cc1)N1C[C@H]2CC=CC[C@H]2C1 73779577 QQDWCUJDDYFRLK-IYBDPMFKSA-N 323.400 2.375 0 40 DEAB O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCOC1 72273583 XWKBYTPZXUDCGC-NSHDSACASA-N 321.764 2.085 0 40 DEAB NS(=O)(=O)c1cnc(N[C@@H]2CCc3ccc(F)cc32)s1 95389619 PYBIBQPQDCWLRX-SNVBAGLBSA-N 313.379 2.029 0 40 DEAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H](c2ccn[nH]2)C1 84603880 OYAQYMNIFWHUGP-GFCCVEGCSA-N 307.357 2.373 0 40 DEAB C[C@H](CNC(=O)NCc1cc(-c2ccccc2)no1)N(C)C 89901072 DJLQLLGJTSQZSY-GFCCVEGCSA-N 302.378 2.091 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](c2ccn[nH]2)C1 75582349 KJWHORWUJLBRQG-FZMZJTMJSA-N 315.421 2.270 0 40 DEAB Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 76019910 FQZHDDDBIZXLMI-UONOGXRCSA-N 310.419 2.472 0 40 DEAB Cc1[nH]ncc1C(=O)N1CCC(COc2ccccn2)CC1 76092781 QWQYIFTVNYVESV-UHFFFAOYSA-N 300.362 2.044 0 40 DEAB CN1CCC[C@@H](c2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 521396265 FUQPCHIUHLIOHR-IAGOWNOFSA-N 302.418 2.405 0 40 DEAB Cc1ccc(NC(=O)c2ccc(Cl)cc2-n2cnnn2)nc1 20718263 MANLMTZQGIKDEE-UHFFFAOYSA-N 314.736 2.271 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@H]1CCCN(C(=O)[C@H](C)N)C1 79415545 LVXROEGSEFOWCH-WMZOPIPTSA-N 317.477 2.483 0 40 DEAB NC[C@@H]1[C@@H](S(=O)(=O)c2ccccc2)[C@H]1c1cccc(F)c1 218629938 QRVWNRYQMJGWOY-HRCADAONSA-N 305.374 2.340 0 40 DEAB O=C(CN1CCC[C@@H](c2ccn[nH]2)C1)NCCc1ccsc1 72270718 DCMXURGKWVVSBC-CQSZACIVSA-N 318.446 2.010 0 40 DEAB CC(=O)NCCNCc1ccc(-n2cnc3ccccc32)cc1 32740395 SVPRGXCNNFRNLT-UHFFFAOYSA-N 308.385 2.251 0 40 DEAB CCN(CC)C(=O)CNc1cc(N2CCNC2=O)ccc1Cl 79002865 DWZHHKHEWBTYJP-UHFFFAOYSA-N 324.812 2.150 0 40 DEAB COc1ccc(Cc2noc(CCN3CCSC3=O)n2)cc1 78774440 NASUXLOTMWJAAM-UHFFFAOYSA-N 319.386 2.380 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2cnc(N3CCCC3)nc2)cc1 224271536 JOZDCGRSSDHFHO-UHFFFAOYSA-N 318.402 2.186 0 40 DEAB O=C(NCc1nnc2n1CCCC2)[C@@H]1CCCc2ccccc21 41141839 IRLIEDXRFBXTGX-OAHLLOKOSA-N 310.401 2.351 0 40 DEAB Cc1nc(C2CC2)ncc1C(=O)NCc1ccc2c(c1)OCO2 225792076 QXDUJWCEUWOYFV-UHFFFAOYSA-N 311.341 2.321 0 40 DEAB CCS(=O)(=O)C[C@H](C)N[C@H]1CCCN(C2CCCCC2)C1 195549806 NVKYEWLNHFDHID-GJZGRUSLSA-N 316.511 2.196 0 40 DEAB O=C(O)c1cccc(Cl)c1CN1CCC[C@H](n2cncn2)C1 579016445 SDZUAZXQBDHUOL-NSHDSACASA-N 320.780 2.467 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)C(=O)c2c(C)nn(C)c2C)s1 96413923 NEUNPBKYCDYBDJ-VIFPVBQESA-N 319.430 2.337 0 40 DEAB COCc1cc(=O)c(O)c([C@@H](CC(=O)OC)c2ccc(C)o2)o1 96114669 VYRMVGMGPSPOAC-NSHDSACASA-N 322.313 2.088 0 40 DEAB biogenic CCCc1cc(N(C[C@H]2CCOC2)C2CC2)n2ncnc2n1 97379239 XYQBIBQMGQILRD-GFCCVEGCSA-N 301.394 2.082 0 40 DEAB CC(=O)NCCCNC(=O)N[C@H](C)Cc1cc(C)cc(C)c1 96437587 YBACYTGDZDARBY-CQSZACIVSA-N 305.422 2.060 0 40 DEAB CCCn1ccnc1CN1CCC[C@H]1c1cncc(NC)n1 257207578 BIJKZXARZFWGBA-AWEZNQCLSA-N 300.410 2.462 0 40 DEAB Cc1cccc(CN2C[C@@H]3OCC(=O)N(c4ccccc4)[C@H]3C2)n1 257279407 OGKMRFJSJZWZJP-ROUUACIJSA-N 323.396 2.006 0 40 DEAB C[C@]1(O)CN(Cc2cncnc2)CC[C@@H]1Oc1cccc(F)c1 257285354 PGRXTSVBFOKPGK-IRXDYDNUSA-N 317.364 2.020 0 40 DEAB O=C(O)c1ccccc1-c1ccc(CN2CC[C@H](CO)C2)nc1 257325130 WROZCNPJDLIJMK-ZDUSSCGKSA-N 312.369 2.261 0 40 DEAB COc1ccc(CC(=O)N2CC[C@@H](c3ccn[nH]3)C2)cc1F 257217138 CXQOIFQPSMWAGN-GFCCVEGCSA-N 303.337 2.116 0 40 DEAB C[C@H]1C[C@@H](C(=O)N(CC(=O)O)Cc2ccc(F)cc2)CCO1 262997334 QXAVMZYZGVKNEW-AAEUAGOBSA-N 309.337 2.054 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC(CF)C2)C1 390827006 RZOCQZDPDACZIY-GFCCVEGCSA-N 300.374 2.061 0 40 DEAB CCCc1ccc(C(=O)Cn2cnc3cnn(CC)c3c2=O)cc1 585140543 GSUHZUPCQMJESA-UHFFFAOYSA-N 324.384 2.448 0 40 DEAB O=C(NCCOc1ccccc1)N1CCCN(C2CCC2)CC1 827939046 DJIBFNUWNLNQBW-UHFFFAOYSA-N 317.433 2.335 0 40 DEAB Cc1cccc(CCNC(=O)NCC[S@@](=O)C(C)(C)C)c1 69948907 RBKRGMMMKWYTEL-NRFANRHFSA-N 310.463 2.384 0 40 DEAB Cc1c(Br)cn2nc(N)nc2c1Br 888084611 IQQCZNXZGDWSSF-UHFFFAOYSA-N 305.961 2.145 0 40 DEAB CN1CC[C@H](C(=O)N2CCC(c3ccccc3)CC2)CC1=O 44381485 VTDGGLCANILTMQ-INIZCTEOSA-N 300.402 2.261 0 40 DEAB C[C@H](NC(=O)NCC(C)(C)O)c1nc(C2CCCCC2)no1 74909557 QWONQMRYICTTPR-JTQLQIEISA-N 310.398 2.248 0 40 DEAB Cn1c(C(F)(F)F)nc(C(=O)O)c1NC(=O)OC(C)(C)C 1690143482 XGJHATOMRHAIPN-UHFFFAOYSA-N 309.244 2.484 0 40 DEAB Cc1nsc(N2CCC(S(=O)(=O)c3ccccc3)CC2)n1 1775973948 RZZVUOZHTQNUOC-UHFFFAOYSA-N 323.443 2.289 0 40 DEAB COC(=O)[C@@H]1CCC(=O)N1Cc1csc(-c2ccccc2)n1 5760267 MUULTMXDXINIJW-ZDUSSCGKSA-N 316.382 2.474 0 40 DEAB COc1cc(CCC(=O)Nc2ccn(C)n2)cc(OC)c1OC 5336020 DJAVKLNEIHANFW-UHFFFAOYSA-N 319.361 2.017 0 40 DEAB O=C1N[C@@]2(CCCN(C(=O)c3ccco3)C2)Nc2ccccc21 12089245 ODVVTIWZLRCQOK-QGZVFWFLSA-N 311.341 2.067 0 40 DEAB O=C(O)C1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCNCC1 12157296 YZYHHUHLFYKQDQ-ZDUSSCGKSA-N 306.337 2.163 0 40 DEAB COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)CC(=O)N2 16960719 YCTKJBKYGBVIDS-UHFFFAOYSA-N 312.325 2.451 0 40 DEAB CC(C)(C(=O)N1CC(C(=O)NCC2CC2)C1)c1ccccc1F 19748708 YIZDUFIPROZNLB-UHFFFAOYSA-N 318.392 2.088 0 40 DEAB O=C(COc1ccc(C(=O)O)cc1)NCc1ccccc1F 13413729 ZQEXVFUIWHJHCX-UHFFFAOYSA-N 303.289 2.219 0 40 DEAB O=C(NC1CC1)C1CCN(Cc2nc3c(s2)CCC3)CC1 2086875544 ZXSGKDMLQACRBX-UHFFFAOYSA-N 305.447 2.122 0 40 DEAB Cc1ccnc(N2CCN(c3cccc(OC(C)C)n3)CC2)n1 2298048961 JAEGHEYCJPVYCF-UHFFFAOYSA-N 313.405 2.294 0 40 DEAB CC[C@@H]1CCCN(CCC(=O)Nc2sccc2C(N)=O)C1 30144470 XPAGVCVWRMWMPP-LLVKDONJSA-N 309.435 2.298 0 40 DEAB COc1ccccc1-n1c(=O)c2[nH]c3ccccc3sc=2c1=O 100420798 YVVUACMMKHNZKO-UHFFFAOYSA-N 324.361 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Cn1nc(-c2cccs2)cc1C(=O)N1C[C@H]2C[C@H]1CS2 575607824 PQPLPZBXMKPDJU-VHSXEESVSA-N 305.428 2.479 0 40 DEAB O=C(Cc1ccccc1)N[C@@H]1C[C@H]2C[C@H]1CN2Cc1cccnc1 585110242 JCDRZMWEJIPYRD-IPMKNSEASA-N 321.424 2.403 0 40 DEAB Clc1cc(CN2CCc3cncnc3C2)cc2c1OCCO2 69819637 ATWRHFHJKHZWDL-UHFFFAOYSA-N 317.776 2.460 0 40 DEAB CN[C@@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 53202513 YHFRVMRJCIPWIX-SNVBAGLBSA-N 315.186 2.412 0 40 DEAB O=C(CSc1cccc[n+]1[O-])O[C@H](C1CC1)C(F)(F)F 89808176 NMHWMKXLDDZYEY-LLVKDONJSA-N 307.293 2.296 0 40 DEAB CCCc1cc(NS(=O)(=O)c2ccc3c(c2)CCO3)n(C)n1 92876927 RJWZIPOJLMDTBJ-UHFFFAOYSA-N 321.402 2.108 0 40 DEAB COCCOc1cc(C(=O)NCCc2cccs2)ccn1 182473705 GXONBZQJGBRFAD-UHFFFAOYSA-N 306.387 2.141 0 40 DEAB CCN1OC2(CCN(C(=O)Nc3cccc(F)c3)CC2)CC1=O 1549162842 WPKCZZRSQLCAEH-UHFFFAOYSA-N 321.352 2.376 0 40 DEAB CC(C)[C@@H](Cn1nnc2ccccc21)NC(=O)c1cscn1 12145044 LDFWBUYLPDSAII-GFCCVEGCSA-N 315.402 2.342 0 40 DEAB CC(C)n1nccc1C(=O)NCc1noc(-c2ccccc2)n1 12202826 OOOROWDVBJHGCR-UHFFFAOYSA-N 311.345 2.444 0 40 DEAB Cc1cc2nc(COC(=O)CCc3ccccc3)cc(=O)n2o1 15734230 LBIWHEIVEIZOMO-UHFFFAOYSA-N 312.325 2.272 0 40 DEAB COc1cc(S(=O)(=O)N2CCC[C@H](C)C2)c(OC)cc1C 16780208 QAAMAQPDIWFQCO-NSHDSACASA-N 313.419 2.433 0 40 DEAB CCNC(=O)N1[C@H]2CC[C@H]1CC(S(=O)(=O)c1ccccc1)C2 101323003 KMXBKNUJZQJSHO-STQMWFEESA-N 322.430 2.185 0 40 DEAB COC(=O)[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(C)C 4264119 DVTXLIKDRCDRCP-DLUQRMLASA-N 308.422 2.452 0 40 DEAB Cn1ccc2cc([C@H](O)CNC(=O)NC3CCCC3)ccc21 245015165 LOUBOUHJIYXEHZ-MRXNPFEDSA-N 301.390 2.454 0 40 DEAB O=C(O)c1ccccc1-n1cnc(CNc2nncs2)c1 1848356178 KBXHUSSSHHVKQI-UHFFFAOYSA-N 301.331 2.034 0 40 DEAB O=C(NC1CCN(c2ncccn2)CC1)c1c(F)cccc1F 6767765 NCVJZUYGOFRBGQ-UHFFFAOYSA-N 318.327 2.154 0 40 DEAB Cc1cc(N2CCN(c3nccc(C)n3)CC2)nc(C2CC2)n1 1889078124 CTQKRXXJZUGUFD-UHFFFAOYSA-N 310.405 2.087 0 40 DEAB CC1CCC(NC(=O)c2c(Br)cnn2C)CC1 2782255 LGPUNZYXMCCVSF-UHFFFAOYSA-N 300.200 2.491 0 40 DEAB Cc1ccc(-c2noc(CN3CCC4(CC3)OCCO4)n2)cc1 28077950 RKTQJSOUBJWSES-UHFFFAOYSA-N 315.373 2.384 0 40 DEAB O=C(NC1CC1)[C@H]1CC=CC[C@@H]1C(=O)OCC(F)(F)C(F)F 68767 YSAFKEYBEDCBKO-UWVGGRQHSA-N 323.286 2.291 0 40 DEAB CC(C)S(=O)(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 13696973 GYOAIBTYTYYGFF-UHFFFAOYSA-N 308.403 2.136 0 40 DEAB COc1ccc([C@H]2CCN(C(=O)c3cn(C)nc3OC)C2)cc1 38566481 ANMLBZATMQOIQQ-ZDUSSCGKSA-N 315.373 2.067 0 40 DEAB Cc1ccc([C@@H](CNC(=O)C2CCCC2)N2CCOCC2)o1 40477360 SRHJWBHXLKPCIK-OAHLLOKOSA-N 306.406 2.268 0 40 DEAB Cc1ccoc1C(=O)Nc1nc(CN2CCOCC2)cs1 22701845 NFIVVFOHAOUNFO-UHFFFAOYSA-N 307.375 2.129 0 40 DEAB CC(=O)NCCNC(=O)Nc1ccccc1OC1CCCC1 47599973 HCILMLHGEAGTQC-UHFFFAOYSA-N 305.378 2.266 0 40 DEAB CSc1ccc([C@@H]2SC(NC(C)=O)=NN2C(C)=O)cc1 201270 KKWHIISZSNSYGZ-LBPRGKRZSA-N 309.416 2.410 0 40 DEAB CCOC(=O)C1CCN(C(=O)COc2cccc(C)c2C)CC1 208429 JPKPRNLLUGNOHN-UHFFFAOYSA-N 319.401 2.484 0 40 DEAB CCOCCC(=O)OCC(=O)N(C)[C@@H]1CCCc2ccccc21 78478067 DPCODDNLTKQPGO-MRXNPFEDSA-N 319.401 2.492 0 40 DEAB CC[C@@](C)(CO)NC(=O)Nc1cnc(-c2ccccc2)nc1 78991602 GKVPPQDUFSYSTH-INIZCTEOSA-N 300.362 2.426 0 40 DEAB COc1cccc(OC)c1OC[C@H](O)CN1CCC(C)CC1 1469941 JTVSWQOBWROFQU-CQSZACIVSA-N 309.406 2.175 0 40 DEAB CC[C@@H](C)[C@H](N)c1nnc(S(=O)(=O)Cc2ccccc2)o1 2341171 HNXAAZHRCVCRNF-PWSUYJOCSA-N 309.391 2.089 0 40 DEAB Cn1c(Cl)cnc1COC(=O)c1ccc([S@@](C)=O)cc1 57994504 MDAAIHHLXJVVDY-FQEVSTJZSA-N 312.778 2.168 0 40 DEAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C)ccn1 58157459 JQTIPZOEGGBAAT-UHFFFAOYSA-N 304.371 2.436 0 40 DEAB c1csc(-c2noc(Cn3nnnc3C3CCCC3)n2)c1 58169287 UFFNJVNBJDDNQL-UHFFFAOYSA-N 302.363 2.491 0 40 DEAB CC(=O)N1CCN(C(=O)c2ccc(C)c(-n3cccc3)c2)CC1 44896604 DILWJGNFPAFDEZ-UHFFFAOYSA-N 311.385 2.090 0 40 DEAB Cc1nc(COc2ccc(C(=O)NCc3ccccn3)cc2)no1 44894334 PJWRGUWQVUIFLL-UHFFFAOYSA-N 324.340 2.282 0 40 DEAB COc1ncccc1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 58224950 RIGSHIPWEYHROU-SCRDCRAPSA-N 320.389 2.330 0 40 DEAB C[C@@H](NC(=O)NCCCCN1CCN(C)CC1)c1ccccc1 58291674 VUUCWGGKHJCAJH-MRXNPFEDSA-N 318.465 2.074 0 40 DEAB Cc1csc(=O)n1CCC(=O)N1CCC[C@@H]1c1ccncc1 36700765 AJAABLDOHLUXRY-CQSZACIVSA-N 317.414 2.367 0 40 DEAB C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)Cc1ccccc1 46107546 KYGFOCBMIWGGRG-CQSZACIVSA-N 317.410 2.306 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)N1CCO[C@@H]2CCCC[C@H]21 46493901 WIIMDQSUILXDSM-HZPDHXFCSA-N 305.422 2.140 0 40 DEAB Cc1ccc(F)cc1NC(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O 103066644 ZMLDTXRACVBEPP-BETUJISGSA-N 318.348 2.248 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)c1cccc(F)c1 12747095 RBHCWONFIMDQHQ-UHFFFAOYSA-N 317.345 2.396 0 40 DEAB O=C(Cc1ccc(O)cc1)N1C[C@H](O)C[C@H]1C1CCCCC1 95445928 IZQFUKGWMJRUEZ-SJORKVTESA-N 303.402 2.477 0 40 DEAB COc1ccc2c(CC(=O)O[C@H](C)C(=O)NC3CC3)coc2c1 12784656 FJBPAYZQLZQBCP-SNVBAGLBSA-N 317.341 2.194 0 40 DEAB Cc1ccc(-c2n[nH]cc2CN[C@@H](C)CN2CCCC2=O)o1 48382331 WSRJFOBGCSWUIU-NSHDSACASA-N 302.378 2.079 0 40 DEAB Cc1ccccc1OCCOC(=O)CCNC(=O)c1ccco1 12879501 FDTVHRMWDIBVJB-UHFFFAOYSA-N 317.341 2.330 0 40 DEAB O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCC1 48493559 PTGOGZZFIKYAOX-UHFFFAOYSA-N 317.389 2.223 0 40 DEAB COCc1c(C(=O)O)nnn1-c1ccc(C(F)(F)F)cc1 65288250 XGHUDCPCADPUCA-UHFFFAOYSA-N 301.224 2.131 0 40 DEAB in-vitro O=C(NCCn1cccn1)c1cc(-c2ccc(Cl)s2)[nH]n1 65404978 XLGCANVYRMBTRE-UHFFFAOYSA-N 321.793 2.418 0 40 DEAB CCc1ccc(S(=O)(=O)NCCc2nc(C)oc2C)s1 89286829 KLHTVHVZSDXHMZ-UHFFFAOYSA-N 314.432 2.436 0 40 DEAB COc1ccc(N(C)C(=O)c2ccnc(N(C)C)c2)cc1OC 65517774 CSVUGMDSAXLIPP-UHFFFAOYSA-N 315.373 2.441 0 40 DEAB C[C@H]1CCCCN1C(=O)[C@@H](C)NC(=O)NCc1ccsc1 65577255 DKKURXJOKPNJOB-NWDGAFQWSA-N 309.435 2.337 0 40 DEAB CCC(=O)N1C[C@@H]2[C@@H](C1)n1cccc1C(=O)N2Cc1ccccc1 306127702 GFFSREAEDOQLHP-IAGOWNOFSA-N 323.396 2.306 0 40 DEAB CCNC(=S)NNC(=S)Nc1cccc(C(F)(F)F)c1 4608296 HKDLITALYYHJHF-UHFFFAOYSA-N 322.381 2.391 0 40 DEAB CC(C)n1cc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cn1 66389676 MVJXPLGVQGHDIC-UHFFFAOYSA-N 300.318 2.047 0 40 DEAB O=C1CC[C@H](C(=O)NCCCc2ccc(Cl)c(Cl)c2)N1 66394500 IXCZWAHYEXYKLX-GFCCVEGCSA-N 315.200 2.321 0 40 DEAB Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1ccccn1 27933178 DCCIOJMMGIMQTB-UHFFFAOYSA-N 312.295 2.425 0 40 DEAB Cc1cc(C)n(Cc2cccc(Nc3ccc4nnnn4n3)c2)n1 66467958 GOQLMGYZXBLABG-UHFFFAOYSA-N 320.360 2.125 0 40 DEAB CC(=O)Nc1ccc(OCC(=O)NCCc2cccs2)cc1 7826864 WSPXRMILUONEDV-UHFFFAOYSA-N 318.398 2.444 0 40 DEAB C[C@H](NCc1ccc(S(C)(=O)=O)cc1)[C@@H](C)n1cccn1 69372631 GADAYZCJNUFCAM-QWHCGFSZSA-N 307.419 2.026 0 40 DEAB C[C@H](Cn1cccn1)N[C@H](C(=O)N1CCCC1)c1ccccc1 69370510 ACWSFOJVNLJRCC-WBVHZDCISA-N 312.417 2.225 0 40 DEAB COc1ccc(OCCNC(=O)c2cnc3ccccc3n2)cc1 8328009 MOXQEKAUEAWPLR-UHFFFAOYSA-N 323.352 2.447 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)NOCc3ccccc3)C2)n1 69419314 KALLAXXMIUMAQS-AWEZNQCLSA-N 316.361 2.399 0 40 DEAB CCOc1cc(/C=C/C(=O)NCCCN(C)C)ccc1OC 301192938 BLLPAYVVWSIGOD-CSKARUKUSA-N 306.406 2.175 0 40 DEAB CCN1CCCN(C(=O)Cc2coc(-c3ccccc3)n2)CC1 69530509 MVOFAEHLAKIPLF-UHFFFAOYSA-N 313.401 2.438 0 40 DEAB CC[C@H](C)[C@H](CO)Nc1cc(C)nc2nc(C(F)(F)F)nn12 71920892 XZAOWAAHOQQURV-CBAPKCEASA-N 317.315 2.270 0 40 DEAB Cn1c(CS[C@H]2CCCc3ccccc32)cc(=O)n(C)c1=O 69701771 CCSIAERJDYKNEP-HNNXBMFYSA-N 316.426 2.395 0 40 DEAB CC(C)N1CC[C@@H](NC(=O)c2ccc3c(c2)OCCCO3)C1 70876835 NVORABJVOFPQAQ-CQSZACIVSA-N 304.390 2.060 0 40 DEAB Cc1cc(C)cc(N2C[C@@H](C(=O)NCc3ccccn3)CC2=O)c1 9096487 FDCLDAHVASOPRA-HNNXBMFYSA-N 323.396 2.368 0 40 DEAB CC(C)c1cc(C(=O)N[C@H](C(=O)O)c2ccccc2)n(C)n1 97017987 IIMTVPVSUQJZGE-AWEZNQCLSA-N 301.346 2.099 0 40 DEAB CCc1csc([C@@H]2CCCN(C(=O)Cc3cnn(C)c3)C2)n1 72282190 NLEAHICPNDFFOO-CYBMUJFWSA-N 318.446 2.388 0 40 DEAB O=C(COc1cccc(N2CCCC2=O)c1)Nc1ccccn1 95964442 HHTLTROBZQQMDE-UHFFFAOYSA-N 311.341 2.226 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1ccc(Cl)o1 95980361 PNWSHPUDWNXEJW-SNVBAGLBSA-N 309.753 2.487 0 40 DEAB Cc1ccnc([C@@H](NC(=O)c2ccn3ccnc3c2)C2CC2)n1 95979737 MYUJJTITXNIJFZ-HNNXBMFYSA-N 307.357 2.314 0 40 DEAB O=C(O)c1ccc(CCNC(=O)c2ccnc(Cl)c2)cc1 95399184 UQGFNKJDMQRYBM-UHFFFAOYSA-N 304.733 2.406 0 40 DEAB Cc1cccc(OCCN(Cc2ccccn2)S(C)(=O)=O)c1 89677672 VXHMBACJBXMRJX-UHFFFAOYSA-N 320.414 2.231 0 40 DEAB C=CS(=O)(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1 667988060 OYGXUASWWRYLCV-UHFFFAOYSA-N 321.387 2.046 0 40 DEAB O=C(O)CC1=Nn2c(nnc2-c2ccc(Cl)cc2)SC1 28284620 QEUMIUQJYYXCAF-UHFFFAOYSA-N 308.750 2.383 0 40 DEAB COc1ccccc1[C@@H]1CN(C(=O)c2ccncc2)CCN1C 36132100 SJGHRVUEABUZSU-INIZCTEOSA-N 311.385 2.219 0 40 DEAB Cc1nnsc1C(=O)NCC1(c2ccccc2)CCOCC1 38591742 IAKLGYUPIZYYNI-UHFFFAOYSA-N 317.414 2.325 0 40 DEAB Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)c1ncc[nH]1 515407614 BNYVUUOOUVUCQG-SECBINFHSA-N 300.318 2.386 0 40 DEAB COc1c[nH]c(C(=O)N2CCc3c([nH]c4ccccc34)C2)cc1=O 524734630 WZRYSBAAMJXUOH-UHFFFAOYSA-N 323.352 2.063 0 40 DEAB biogenic CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H]2c2ccc(O)nn2)C1 530079631 MUEXKDAPNBUCFJ-YRGRVCCFSA-N 305.378 2.051 0 40 DEAB Cc1ccsc1[C@H](O)CNC(=O)[C@@H]1COc2ccccc2O1 75155230 KRBIJUIVLDIWKY-RISCZKNCSA-N 319.382 2.046 0 40 DEAB Cc1nc([C@@H]2CN(C)CCO2)cc(N(C)Cc2ccccc2)n1 72387681 NOHHBDDIONQGHE-KRWDZBQOSA-N 312.417 2.425 0 40 DEAB O=C(NC[C@H](O)COCC1CC1)N[C@H]1CCC[C@H](C2CC2)C1 74651947 DUNXXUXEIDYXTI-JYJNAYRXSA-N 310.438 2.042 0 40 DEAB CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)c1cnccn1 1548521571 HWFQDLCIWXMOMG-VIFPVBQESA-N 312.299 2.144 0 40 DEAB Cc1nccn1-c1ccc(CNC(=O)[C@H]2CCCN(C)C2)cc1 78578601 RYTGIBACXOVGPY-INIZCTEOSA-N 312.417 2.139 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2)C[C@H]1C(=O)O 74941235 KPPLFHVNHIHGFM-ZDUSSCGKSA-N 324.352 2.336 0 40 DEAB O=S1(=O)CC[C@@H](c2nc(CCCc3ccccc3)no2)C1 78774558 VOSMYBBXTPGZAD-CYBMUJFWSA-N 306.387 2.147 0 40 DEAB CC[C@@H](NC(=O)NCC(=O)NC(C)C)c1cc(F)ccc1F 77524918 QAUKCGSZPKKRSZ-CYBMUJFWSA-N 313.348 2.240 0 40 DEAB CCOc1nnc(CN(C)Cc2ccc3c(c2)OCCO3)s1 63482602 ZPFZSXSXWVPABJ-UHFFFAOYSA-N 321.402 2.340 0 40 DEAB Cc1c(C(=O)NC[C@H](C)N2CCCC2)[nH]c2c1C(=O)CCC2 63733235 BMOMQMSQUMCVQU-NSHDSACASA-N 303.406 2.056 0 40 DEAB COc1cnc(O[C@H]2CCN(Cc3ccc(F)cc3F)C2)nc1 1204213939 XQYGBZJLGNJZIT-ZDUSSCGKSA-N 321.327 2.417 0 40 DEAB Cc1cc(C(=O)N2CC[C@@H](OC(C)C)C2)nc(C(F)(F)F)n1 576993354 SXMMTWRUIBEWPO-SNVBAGLBSA-N 317.311 2.443 0 40 DEAB COC(=O)[C@@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc32)C[C@@H]1C 190281455 YMVQUGMFAJDIKB-AEGPPILISA-N 316.401 2.167 0 40 DEAB O=C(c1ccccc1F)N1CC[C@@]2(CCN2c2ncccn2)C1 96228709 AIIAEWZHNPIVIB-QGZVFWFLSA-N 312.348 2.111 0 40 DEAB O=C(Cc1ccccc1O)NC[C@@H](O)c1ccccc1Cl 96419998 AWOBEHITGUPBEW-OAHLLOKOSA-N 305.761 2.438 0 40 DEAB Cc1cc(CN2C[C@@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)no1 96042604 KOOSTEFNUMQAAF-INMHGKMJSA-N 315.373 2.189 0 40 DEAB CC(C)(C)[C@H](CCO)NC(=O)N[C@@H]1COc2ccccc2C1 97100680 BCOCZAYIMRSXEY-ZFWWWQNUSA-N 306.406 2.086 0 40 DEAB c1coc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCOCC2)c1 96041636 FFWNVEWYIBPIQU-RCCFBDPRSA-N 321.417 2.455 0 40 DEAB Cn1cccc1C(=O)N1CCCC[C@H]1c1ccn2nccc2n1 257299351 RPRHORFWGQFLEV-AWEZNQCLSA-N 309.373 2.435 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2cncc(-c3ncc[nH]3)n2)ncn1 257297904 RJHNYANZRVUSIU-CQSZACIVSA-N 307.361 2.307 0 40 DEAB Cc1cc(CN2CCCC[C@@H]2c2cc(O)n3nccc3n2)no1 257315161 VAEPNMJZQXXVQW-CQSZACIVSA-N 313.361 2.459 0 40 DEAB Cc1ncsc1C(=O)NCc1cccnc1-c1cnn(C)c1 575607826 JZXILFRIGACQHQ-UHFFFAOYSA-N 313.386 2.177 0 40 DEAB O=C(c1cc(N2CCCCC2)ncn1)N1CCCSCC1 585139807 GFIKNZGSEICUFS-UHFFFAOYSA-N 306.435 2.046 0 40 DEAB Cc1ncn(CC2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C 585629748 BSBRXSULRLHCJE-UHFFFAOYSA-N 317.433 2.289 0 40 DEAB Cc1ccc(OCCN2C(=O)N[C@@](C)(c3ccco3)C2=O)cc1 30343134 BOCOEGHZRLPZAB-KRWDZBQOSA-N 314.341 2.434 0 40 DEAB CC(C)N1CCC[C@@H](CNC(=O)CN2CCCCCCC2=O)C1 69035059 LWIOZUQELJRLEN-INIZCTEOSA-N 323.481 2.016 0 40 DEAB COCC(=O)Oc1cc(C)ccc1I 76093336 CGTAFNRJHCMTPD-UHFFFAOYSA-N 306.099 2.151 0 40 DEAB CN1CCC[C@@H]1CCN1CCN(C(=O)c2ccc(F)cc2)CC1 83877904 YBOZFTNFMWEFEO-QGZVFWFLSA-N 319.424 2.068 0 40 DEAB C[C@H](N[C@@H](CO)c1ccccc1)C(=O)N(C)C1CCCCC1 97081897 POFLZGYXHNJQSV-YOEHRIQHSA-N 304.434 2.489 0 40 DEAB CN1CCN(Cc2c(C3CCOCC3)[nH]c3cccnc23)CC1 19590052 DCDRNWGITNEKEE-UHFFFAOYSA-N 314.433 2.204 0 40 DEAB Cc1ccc2nc(C(=O)N3CC[C@H](c4n[nH]cc4C)C3)cn2c1 1848352335 CEHGGBMHSQTAID-ZDUSSCGKSA-N 309.373 2.304 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NCC1(c2ccsc2)CC1 1888919553 AXNXXIZCWBKMTM-UHFFFAOYSA-N 312.416 2.363 0 40 DEAB C[C@H](NC(=O)COc1nnc2ccccn12)c1ccc(F)cc1 15572215 LEYGNXFLYAWUKF-NSHDSACASA-N 314.320 2.125 0 40 DEAB Cc1cc(C(=O)n2cccc/c2=N\C(C)C)c2c(C)nn(C)c2n1 25092412 BNDUNQKCTCRVEZ-XDJHFCHBSA-N 323.400 2.384 0 40 DEAB O=C(Cn1nnc2ccccc2c1=O)c1ccc(Cl)s1 3618171 OXALNSCCHSZYIV-UHFFFAOYSA-N 305.746 2.389 0 40 DEAB Cc1cc(NC(=O)C(=O)NCc2ccncc2)c2ccccc2n1 10327186 OAOWEPCXVOCVJU-UHFFFAOYSA-N 320.352 2.193 0 40 DEAB CNC(=O)[C@]1(Nc2cccc(F)c2)CCN(C(=O)C(C)(C)C)C1 2055750564 DMJKMVDHULQVID-KRWDZBQOSA-N 321.396 2.001 0 40 DEAB O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2o1 1513705 ISUFAXAIZAPSIE-UHFFFAOYSA-N 308.290 2.061 0 40 DEAB COc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)O[C@H](C)C3)c2c1 20025437 KNTPJNACMVVTAG-VXGBXAGGSA-N 302.374 2.468 0 40 DEAB COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C)C(=O)O)s2)c1 40310360 BQJSNXBGEVMYPQ-VIFPVBQESA-N 320.370 2.330 0 40 DEAB biogenic Cc1nc(-c2ccc(OCC(=O)NCC(F)(F)F)cc2)no1 40464734 HVAMPBBANKMGKX-UHFFFAOYSA-N 315.251 2.102 0 40 DEAB CN(C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2O1)c1ccsc1 40500871 OUIUZHJXZURNDK-GOEBONIOSA-N 316.426 2.471 0 40 DEAB O=C(Nc1nncs1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 21213742 BDBAYOIKEAFXSJ-QMMMGPOBSA-N 322.777 2.183 0 40 DEAB C[C@H]1CN(C(=O)CCNc2ncnc3sccc23)C[C@@H](C)O1 52445179 KLMIBMZZULRAAA-PHIMTYICSA-N 320.418 2.129 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)cc1 32912976 GHCYYRBFAMUXRZ-CYBMUJFWSA-N 319.405 2.464 0 40 DEAB Cc1noc([C@H]2CCCN(C(=O)c3cc(Cl)cn3C)C2)n1 54121410 WJBXMIUDLCTSNT-JTQLQIEISA-N 308.769 2.390 0 40 DEAB O=C(NCCc1nnc2n1CCC2)c1occc1-c1ccccc1 42502785 DPOYDIHVSVXEOJ-UHFFFAOYSA-N 322.368 2.457 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1cnn(C)c(=O)c1Cl 105795521 WRRZZRJMHFUCGM-LLVKDONJSA-N 321.812 2.126 0 40 DEAB CS(=O)(=O)CCSc1nc(C2CC2)n(-c2ccccc2)n1 43012646 KBRLXYGUXNLVLG-UHFFFAOYSA-N 323.443 2.281 0 40 DEAB COc1c[nH]c(C(=O)Nc2nc3c(s2)CCCCC3)cc1=O 61721640 IBNUSYYYFXMISS-UHFFFAOYSA-N 319.386 2.361 0 40 DEAB CCn1cc(NC(=O)N[C@@H]2COc3c(cccc3OC)C2)cn1 77415084 RTMXGGJLAOHQJC-LBPRGKRZSA-N 316.361 2.037 0 40 DEAB Cc1ccc(CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)s1 78847472 WKIPLLZDVADRMV-NSHDSACASA-N 309.435 2.255 0 40 DEAB COC(=O)NCC(=O)N1CCc2cc(Cl)cc(Cl)c2C1 79053650 FOTNZMDEANNDDQ-UHFFFAOYSA-N 317.172 2.234 0 40 DEAB CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(C)cc1 2316619 OVSACNJGYGVYJL-XMTFNYHQSA-N 302.370 2.213 0 40 DEAB Cc1c(C(=O)OCC(=O)N2CCCC2=O)oc2ccccc12 3518267 KFXDNAUZFJZHJN-UHFFFAOYSA-N 301.298 2.047 0 40 DEAB Cc1ccccc1Nc1nc(N2CCOCC2)nc2c1cnn2C 4272751 PRFOFBXXZZHVMX-UHFFFAOYSA-N 324.388 2.252 0 40 DEAB CS[C@@H]1CC[C@@H](N(C)Cc2nnnn2-c2ccccc2)C1 107145119 NAIKIFJXBFJPGC-ZIAGYGMSSA-N 303.435 2.378 0 40 DEAB CCN1CC[C@H](NC(=O)COC)[C@H]1c1cc(F)c(F)c(F)c1 108496063 QLDVLKGMTFHHIX-SWLSCSKDSA-N 316.323 2.002 0 40 DEAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1n[nH]c(C(F)(F)F)n1)C2=O 100936529 KAAPBTDLKAJNJL-QTTZVWFDSA-N 316.283 2.139 0 40 DEAB COc1ccc([C@@H](C)NCc2c(C)nn(CCO)c2C)cc1F 97159775 FTDVHHYXZFRAEQ-LLVKDONJSA-N 321.396 2.491 0 40 DEAB Cc1ccnc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)c1 27647050 AUOJSMHVSZONEM-UHFFFAOYSA-N 304.371 2.187 0 40 DEAB CC[C@](C)(O)CNC(=O)Nc1ccc2c(C)cc(=O)oc2c1 58247963 UBTSKYASBVSQCA-INIZCTEOSA-N 304.346 2.384 0 40 DEAB CCn1nc(C)c2c(C(=O)NCc3cccnc3)cc(C)nc21 28304142 MHLFSAQMTVHVLT-UHFFFAOYSA-N 309.373 2.393 0 40 DEAB CCCCN(CC(N)=O)C(=O)c1c(C)oc2ccc(OC)cc12 45044427 SSPZZZZFCHKXEA-UHFFFAOYSA-N 318.373 2.477 0 40 DEAB CCc1nc2ccccc2n1CC(=O)NO[C@H]1CCCCO1 58418869 ICCJCUNLMDHBRR-INIZCTEOSA-N 303.362 2.173 0 40 DEAB CCN(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21 45398663 PRUMJTFBOYWQDH-UHFFFAOYSA-N 324.384 2.489 0 40 DEAB CC(=O)NC(=S)Nc1ccccc1I 21596506 FCYGPKHAGWIDDT-UHFFFAOYSA-N 320.155 2.124 0 40 DEAB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1ccc2c(c1)OCCO2 62001555 AAOCWUAGGVVIAJ-IEBWSBKVSA-N 322.364 2.382 0 40 DEAB biogenic CC(C)CN1C[C@H](C(=O)N[C@H]2CCc3ccccc32)CC1=O 45889150 ZKDODEVVEWNLRC-ZBFHGGJFSA-N 300.402 2.295 0 40 DEAB COCCN(C(=O)c1ccn(-c2ccc(OC)cc2)n1)C1CC1 57347525 JYBQOAKNNKWGPB-UHFFFAOYSA-N 315.373 2.132 0 40 DEAB O=C(CCc1ccc(Cl)cc1)NCCCN1CCOCC1 54455273 DPDSXECNOSUZHZ-UHFFFAOYSA-N 310.825 2.111 0 40 DEAB CN(CC1CC1)C(=O)Nc1ccccc1C(=O)N1CCOCC1 47484168 KDDMNHPXGOMWAQ-UHFFFAOYSA-N 317.389 2.033 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(c1nc(C)nc3[nH]ccc13)CC2 95409113 XLCBNJOMMBQKLO-KBPBESRZSA-N 316.405 2.023 0 40 DEAB Cc1cc(C)c2nc(NC(=O)[C@H]3CCC(=O)NC3)sc2c1 48303574 FEOMPMVHNHZZAA-JTQLQIEISA-N 303.387 2.378 0 40 DEAB Cc1ccc(-c2cc(CN3CCN(C[C@H](C)O)CC3)on2)cc1 69739575 RYYFDFYEQUHXHT-HNNXBMFYSA-N 315.417 2.148 0 40 DEAB O=C(NCc1ccccc1)N1CCN(C(=O)c2ccccc2)CC1 12913869 HDBBXTHFOSDYKC-UHFFFAOYSA-N 323.396 2.354 0 40 DEAB Cc1noc(C)c1CS(=O)(=O)c1nnc(C(C)C)n1C1CC1 63872204 HHPSWGHMRMUZPW-UHFFFAOYSA-N 324.406 2.315 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)N1CCC(c2cn[nH]c2)CC1 97203580 HHTKZOGOVKXJEX-JTQLQIEISA-N 305.407 2.073 0 40 DEAB C[C@@H](CN1C(=O)N[C@@](C)(C2CC2)C1=O)Oc1cccc(F)c1 97232303 YVEQCHBOYBIXIQ-QFYYESIMSA-N 306.337 2.314 0 40 DEAB CC(C)NC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 408706546 BDKFTCQEVWHHLB-UHFFFAOYSA-N 310.397 2.459 0 40 DEAB Cn1ncc2c(NCCO)nc(NCCC3=CCCCC3)nc21 4374994 HECSROMNOAYYQA-UHFFFAOYSA-N 316.409 2.070 0 40 DEAB CCn1nnnc1SCc1cc(=O)oc2cc(C)ccc12 14093109 GYYMTOYYZNYWEL-UHFFFAOYSA-N 302.359 2.400 0 40 DEAB COc1ccc([C@@H]2CC(c3ccco3)=NN2S(C)(=O)=O)cc1 6590545 SSVCCXAIJCENRD-AWEZNQCLSA-N 320.370 2.399 0 40 DEAB COCc1nc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cs1 71796568 DKPUOWMGWRZEQR-GFCCVEGCSA-N 306.391 2.000 0 40 DEAB COCCC(=O)Nc1cccc(CN2C[C@H](C)O[C@H](C)C2)c1 96413840 SMIBGKZXGZDZJB-OKILXGFUSA-N 306.406 2.271 0 40 DEAB CCc1noc(C)c1CS(=O)(=O)CC1(O)CCC(C)CC1 96493624 SZNJPPQALKMPQQ-UHFFFAOYSA-N 315.435 2.401 0 40 DEAB COC[C@H](C)NC(=O)COCc1cc(-c2cccs2)on1 20550799 XNNKHDVAEMSFHZ-JTQLQIEISA-N 310.375 2.071 0 40 DEAB Oc1ccc(CCC2CCN(CCN3CCOCC3)CC2)cc1 71896948 NMRKAZDVRJQRQW-UHFFFAOYSA-N 318.461 2.369 0 40 DEAB CCOc1ccc(CCC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)cc1 71829474 ISAMURLNPHLTLG-HIFRSBDPSA-N 318.417 2.130 0 40 DEAB C[C@H](C(=O)N1CCC[C@@H]1Cc1cccc(F)c1)N1CCOCC1 71874836 NJEOJBAESTUDGK-RHSMWYFYSA-N 320.408 2.080 0 40 DEAB CC[C@H](N[C@@H](C)c1ccc(-n2cnnn2)cc1)[C@H]1CCCO1 90857551 MSSCMYBIZDMZRI-VBNZEHGJSA-N 301.394 2.271 0 40 DEAB COCC(=O)N1CCC(Nc2ccc3ccc(F)cc3n2)CC1 83897779 FCAOEHSWOBQSFT-UHFFFAOYSA-N 317.364 2.423 0 40 DEAB CC1=Nn2cc(-c3ccccc3)nc2S[C@@H]1C(=O)N(C)C 8131889 MROIXIXRPWDYFV-ZDUSSCGKSA-N 300.387 2.337 0 40 DEAB COc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)c(OC)cc1C 16780207 QAAMAQPDIWFQCO-LLVKDONJSA-N 313.419 2.433 0 40 DEAB CCO[C@H](CC)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 69420303 SFBPVXFVIXASHP-GDBMZVCRSA-N 320.433 2.453 0 40 DEAB CC(C)COC[C@H](NC(=O)c1ccc(=O)n(C)c1)c1ccco1 69514357 KXKYLUFQCRZPJA-AWEZNQCLSA-N 318.373 2.122 0 40 DEAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccncc1 17583448 DWVHWJPKXJXRAP-UHFFFAOYSA-N 303.749 2.494 0 40 DEAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NC[C@H]1CCC[C@H]1O 95441143 ZPXAZDMVHXVHPL-ZWNOBZJWSA-N 321.801 2.060 0 40 DEAB CC(C)c1nnc2n1CCN(C(=O)c1csc(C3CC3)n1)C2 69818208 UVJKCYORLCULMP-UHFFFAOYSA-N 317.418 2.391 0 40 DEAB Cc1nn(C)c(Cl)c1CN1CCn2c(nnc2C(C)C)C1 69929733 IUOBJCNIFCVWOH-UHFFFAOYSA-N 308.817 2.113 0 40 DEAB COC(=O)c1cc(F)ccc1Cn1cnc2sccc2c1=O 69950420 VJJBNEQJDNWZMB-UHFFFAOYSA-N 318.329 2.432 0 40 DEAB NC(=O)N[C@@H](CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1 8709933 MXDQUUXWYMESPG-AWEZNQCLSA-N 323.356 2.301 0 40 DEAB Cc1cc(C(=O)NC[C@H]2CC=CCC2)cc(S(N)(=O)=O)c1C 70916999 PNWNVQVOWCGLDJ-ZDUSSCGKSA-N 322.430 2.037 0 40 DEAB Cc1ccc(S(=O)(=O)Cc2nc(N(C)C)ccc2N)cc1 98063780 IGVOXNUYYBJHDQ-UHFFFAOYSA-N 305.403 2.012 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NC[C@H]1COC2(CCCCCC2)O1 95991691 KHZSHAAAXHZNQB-AWEZNQCLSA-N 321.421 2.233 0 40 DEAB CC(C)(C)OCCN1C(=O)N[C@@]2(CC(C)(C)OC2(C)C)C1=O 95967127 OQWMBPZIQLJURL-INIZCTEOSA-N 312.410 2.070 0 40 DEAB CC(C)OC(=O)CCCNC(=O)[C@H](C)n1cnc2ccccc21 95943240 FBVBFTZVJIRDJL-ZDUSSCGKSA-N 317.389 2.445 0 40 DEAB Cc1nn(C)cc1CN(C)C(=O)/C=C/c1ccc2c(c1)OCO2 28218807 PDZJCKIPQRIFCL-FNORWQNLSA-N 313.357 2.129 0 40 DEAB O=C(N[C@@H]1CCc2c(O)cccc21)c1ccc(-n2ccnc2)nc1 75137207 RYDWOUGWYQKEMX-OAHLLOKOSA-N 320.352 2.390 0 40 DEAB CN1CCC(CCO)(NC(=O)Nc2cccc(Cl)c2)CC1 75103916 AZGWPEPJIIARDX-UHFFFAOYSA-N 311.813 2.308 0 40 DEAB C[C@H](CCC1CCCCC1)NC(=O)NCCCS(C)(=O)=O 89895329 DPCHCZCCAKFNGB-CYBMUJFWSA-N 318.483 2.469 0 40 DEAB CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c(C)c1 408606013 KXNPGZYLOGBFPE-UHFFFAOYSA-N 304.371 2.155 0 40 DEAB Cc1cc(-c2nnc(SCC(=O)Nc3ccccn3)o2)no1 37866352 DZWOKLNTAKEOCW-UHFFFAOYSA-N 317.330 2.159 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)[C@H]1CC=CCC1 521396404 VCTOHIGPOYGTAT-CRWXNKLISA-N 306.406 2.467 0 40 DEAB CCOC(=O)N1CCN(C(=O)c2ccccc2OC(C)C)CC1 219731196 ZOGNLFSTSDMPNJ-UHFFFAOYSA-N 320.389 2.388 0 40 DEAB CS(=O)(=O)Nc1ccc(C(=O)NCC2CCCCC2)cc1 78470752 QYGJIFOYNFSTAJ-UHFFFAOYSA-N 310.419 2.368 0 40 DEAB COc1ccc2c(O)nc(C3CCN(CCO)CC3)cc2c1 72367751 KQMULTOXXDVOSH-UHFFFAOYSA-N 302.374 2.121 0 40 DEAB Cc1cc(CNC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)o1 70640468 AUZPLXSPKAOPLF-GFCCVEGCSA-N 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530173007 QXDRQTQOURHSQI-CYBMUJFWSA-N 313.781 2.276 0 40 DEAB CN(C)CC(=O)NC1CCC(Oc2ncccc2Cl)CC1 186746955 CHSWAIBVHKDYTF-UHFFFAOYSA-N 311.813 2.103 0 40 DEAB CC(C)c1ncc(Cl)c(C(=O)N2CC[C@@](C)(C(=O)O)C2)n1 62914089 QMXJDONXAXTTRM-CQSZACIVSA-N 311.769 2.190 0 40 DEAB CCc1noc(CC)c1CN[C@H]1CCCC[C@H]1S(C)(=O)=O 183098363 NVKTUXLOHACSRZ-DZGCQCFKSA-N 314.451 2.245 0 40 DEAB CC(C)[C@@H](C(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1)n1cccc1 1565524244 CBKCICQGTNRZTB-ZFWWWQNUSA-N 305.422 2.201 0 40 DEAB COC(=O)N1CC[C@@H](Nc2ccc(Br)cn2)C1 78407357 AIFYFFJFMXEGMJ-SECBINFHSA-N 300.156 2.097 0 40 DEAB C[C@@H](Sc1nccn1Cc1ccccn1)C(=O)NC1CC1 79037995 DVJRAWXHKSVKTE-LLVKDONJSA-N 302.403 2.086 0 40 DEAB Cc1ccc(OCc2cccc(C(=O)N3CCOCC3)c2)cn1 74685755 QHNYIDUDCSCSQG-UHFFFAOYSA-N 312.369 2.441 0 40 DEAB COC1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)N(C)C)CC1 225459590 NYQMMSFZVPYSGJ-PBHICJAKSA-N 319.449 2.498 0 40 DEAB Cc1n[nH]c2c1[C@H](c1ccc3c(c1)OCCO3)SCC(=O)N2 44890099 VVENIZAGBYPALN-AWEZNQCLSA-N 317.370 2.264 0 40 DEAB Cc1nnsc1C(=O)Nc1ccc2c(c1)CCCC(=O)N2 190510538 VXETVILDZPGXPQ-UHFFFAOYSA-N 302.359 2.374 0 40 DEAB CC(C)Oc1ccc(CNC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 42645680 DMKQQOGLKDKVKK-HNNXBMFYSA-N 318.417 2.347 0 40 DEAB CC1=N[C@@]2(CC[C@@H]3CN(Cc4cccc(C)c4)C[C@@H]32)C(=O)N1C 96261410 HSYYZJOPWIWVAS-ZIFCJYIRSA-N 311.429 2.466 0 40 DEAB c1cncc(CO[C@H]2C[C@H]3CN(Cc4ccoc4)CCN3C2)c1 96055030 NJHFQNBCGMPLHH-ROUUACIJSA-N 313.401 2.150 0 40 DEAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)c1ccc(-c2cccnc2)cc1 96446742 DGYNTHBRFMYIRY-CXAGYDPISA-N 323.396 2.404 0 40 DEAB COCCCN(C)C(=O)c1cccc(Nc2cnccn2)c1 96414337 RWXLQDGQBGSYBO-UHFFFAOYSA-N 300.362 2.329 0 40 DEAB c1cncc(O[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccncc2)c1 96057970 LVOZMVPNPPAMMM-RCCFBDPRSA-N 311.385 2.287 0 40 DEAB O=C(N1Cc2cncnc2C1)C1(c2ccccc2)CCOCC1 96098276 LJMRWRNCPXLABV-UHFFFAOYSA-N 309.369 2.067 0 40 DEAB COC(=O)c1ccc(Cl)c(CN2CCC[C@H](NC(C)=O)C2)c1 96500517 IUCYTLGBKQSZDX-AWEZNQCLSA-N 324.808 2.227 0 40 DEAB CCS[C@H]1CC[C@H](Nc2ncnc(-n3cccn3)c2N)C1 96483291 HEKQTUNABCHXEK-QWRGUYRKSA-N 304.423 2.331 0 40 DEAB CC(C)C(=O)N1CCC2(CCCN2Cc2ccn(C)n2)CC1 96075324 GILAXVNLPRYDGY-UHFFFAOYSA-N 304.438 2.033 0 40 DEAB c1cnc(N2CCC3(CC2)CCN(C2CCOCC2)CC3)nc1 96158469 GSLVHVINYVLVGX-UHFFFAOYSA-N 316.449 2.338 0 40 DEAB COc1cccc(CC(=O)N2CC[C@H](OC)[C@]3(CCCO3)C2)c1 257265204 LXSJARKXSRZUTJ-WMZOPIPTSA-N 319.401 2.034 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2ccc3c(c2)CCC3)n1 257342809 ZQGBAIIKSQBEMX-INIZCTEOSA-N 311.385 2.421 0 40 DEAB CCO[C@@H](C)C(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 252507329 WHHDCTSKAGGTTN-LBPRGKRZSA-N 312.360 2.429 0 40 DEAB O=C(CCc1ccc(Cl)cc1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257229423 FYCBYZDGUVRNMV-RDJZCZTQSA-N 323.820 2.415 0 40 DEAB CC(=O)N1CCN(Cc2cnn(C)c2C)C[C@H]1c1ccccc1 257337118 YRLKAZYTFZQAFA-SFHVURJKSA-N 312.417 2.134 0 40 DEAB Cc1nnsc1C(=O)NCc1ccnc(-c2ccncc2)c1 390827836 KXQVZKJKGSXYGQ-UHFFFAOYSA-N 311.370 2.234 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)c2nc3c(o2)CCN(CCF)C3)C1 585112514 QNZRLMLMDHHDGS-RYUDHWBXSA-N 309.385 2.120 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)Cc2csc(C)n2)c1 70009413 GGBPILFJEUBHPL-CQSZACIVSA-N 304.419 2.190 0 40 DEAB C[C@H]1CN(C(=O)Nc2ccc(N3CCCC3)nc2)C[C@H](C)O1 44951529 LOMSWAFLKHXJIG-STQMWFEESA-N 304.394 2.323 0 40 DEAB Oc1nncc(N2CCCN(c3nccs3)CC2)c1Cl 49125707 XASJOLAIFVJLDD-UHFFFAOYSA-N 311.798 2.009 0 40 DEAB O=C1NCCN1C1CCN(CCc2ccccc2Cl)CC1 58908387 NLOPSPALPPCDJB-UHFFFAOYSA-N 307.825 2.372 0 40 DEAB O=c1[nH]c(NCc2cccnc2-n2cccn2)nc2ccccc12 97995038 IQQNQEZVSNDQKY-UHFFFAOYSA-N 318.340 2.116 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(C)c2)c1 16506249 HKNZJSAAFQZGKR-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB C[C@@H]1CNCC[C@@]1(O)Cc1cc(Br)ccc1F 169215588 QZBZNKORJPRVSK-NOZJJQNGSA-N 302.187 2.491 0 40 DEAB CCc1nnsc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 22683184 YOALEFXRWTYDEX-ZDUSSCGKSA-N 322.409 2.272 0 40 DEAB COc1ccnc(N2CCC(COc3ccncc3C)CC2)n1 1889108935 ILSYOZWEGVCPRU-UHFFFAOYSA-N 314.389 2.484 0 40 DEAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3ncccc23)C1 1889139216 VVXUKROSVQUSMX-CYBMUJFWSA-N 307.357 2.386 0 40 DEAB O=C(NCC1(c2ccccc2)CCC1)[C@H]1CC(=O)N(C2CC2)C1 40052081 KQKWZQSSICDSLQ-AWEZNQCLSA-N 312.413 2.235 0 40 DEAB COc1cc(CNC[C@H]2CCN(C3CC3)C2)cc2c1OCCO2 30907053 AFELRFHTYSWBKN-CYBMUJFWSA-N 318.417 2.040 0 40 DEAB COCCCN1CCN(c2ccc(C(F)(F)F)cn2)CC1 51292873 IZXMCMXCASAZFA-UHFFFAOYSA-N 303.328 2.259 0 40 DEAB C[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102271891 AZFZRKICJZVBHC-DUPGQFARSA-N 311.389 2.217 0 40 DEAB Cn1ncc2c(=O)[nH]c(CN3CCC[C@@H]3c3ccsc3)nc21 52828004 QYOIYZWRXISUPI-GFCCVEGCSA-N 315.402 2.055 0 40 DEAB CC(C)[C@@H](NC(N)=O)C(=O)Nc1ccc(C(F)(F)F)cc1 33002194 QDPGJFZGAUDTMR-SNVBAGLBSA-N 303.284 2.337 0 40 DEAB O[C@H](CNC1CCCCC1)COc1ccc(-c2nnco2)cc1 571538 RRLGJJHDSDWGRN-OAHLLOKOSA-N 317.389 2.399 0 40 DEAB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nncs2)CC1 22704942 AAUFJJUBMVYCBQ-UHFFFAOYSA-N 312.395 2.124 0 40 DEAB O=C(C1CC1)N1CCC(NCc2ccc(-n3ccnc3)cc2)CC1 42209444 OZYWNCKFNSQQRZ-UHFFFAOYSA-N 324.428 2.363 0 40 DEAB CCOC(=O)CNc1c(-c2ccc(O)cc2)nc2cnccn12 200590 XZBFTDUHPBCIBJ-UHFFFAOYSA-N 312.329 2.077 0 40 DEAB O=C(NCC1(N2CCCCC2)CCCCC1)c1cnns1 47815689 QHEKPRBELPZMAQ-UHFFFAOYSA-N 308.451 2.457 0 40 DEAB CC(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(F)cc1F 1343759 QXSBIKNIFOXILN-ZDUSSCGKSA-N 311.332 2.486 0 40 DEAB C[C@H](O)CN1CCN(c2ccnc(-c3ccccc3)n2)C[C@@H]1C 106840003 CGQMUTQSLZOPMH-GJZGRUSLSA-N 312.417 2.035 0 40 DEAB O=C(NC[C@H]1CCCO1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4505022 XRZCJKFOGQMATJ-TZMCWYRMSA-N 308.765 2.128 0 40 DEAB C[C@H](NCCOc1cccnc1)c1ccc(S(C)(=O)=O)cc1 95968029 UEAFGCDQNXVLAI-ZDUSSCGKSA-N 320.414 2.215 0 40 DEAB CCOC(=O)c1ccc(-c2ccc(CNn3cnnc3)o2)cc1 7602391 JAJMHOTYXFMWDD-UHFFFAOYSA-N 312.329 2.459 0 40 DEAB Cc1cc(O)n2nc(C(=O)Nc3cccc(Cl)c3)nc2n1 20728274 VDXMDWAHITXESP-UHFFFAOYSA-N 303.709 2.044 0 40 DEAB Cn1ccc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cc1=O 44602924 GRPORAOREHOKBS-GOSISDBHSA-N 319.364 2.300 0 40 DEAB CCOC(=O)N1CCC(NC[C@](C)(O)c2cccs2)CC1 89156763 YVXPOWFCUYSIAX-HNNXBMFYSA-N 312.435 2.166 0 40 DEAB CN(C)[C@@H]1CCCN(C(=O)N[C@@H](c2nccs2)C2CC2)C1 74709570 WKRYOTDYUZXRSC-CHWSQXEVSA-N 308.451 2.330 0 40 DEAB CC(=O)c1ccc(C(=O)NCCCOC[C@@H]2CCCO2)s1 44895450 IXOQZQGEWCHEIP-LBPRGKRZSA-N 311.403 2.266 0 40 DEAB C[C@H]1COCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 44966582 SQGXCWGZYREOEF-UONOGXRCSA-N 323.462 2.315 0 40 DEAB CCN(CC)C(=O)[C@H]1C(=O)N(C)[C@@]2(C)C[C@H]1c1ccccc1O2 2129726 RRVBXHVFYDCHHE-JCKWVBRZSA-N 316.401 2.226 0 40 DEAB biogenic C[C@@H](c1ccccn1)N(C)C(=O)c1ccnc(-n2ccnc2)c1 58392930 OLNVCCWXQYBGQU-ZDUSSCGKSA-N 307.357 2.496 0 40 DEAB CCn1ncc(CNC(=O)c2cc(C)nc3onc(C)c23)c1C 36613698 KCJZSAWKZQJETM-UHFFFAOYSA-N 313.361 2.294 0 40 DEAB CC(C)(C)c1nc(CN2CCN(c3ccc(O)cc3)CC2)no1 45809866 GNZSMTCFILLKTK-UHFFFAOYSA-N 316.405 2.395 0 40 DEAB O=C(c1ccc(F)cc1)N1CCN(Cc2cscn2)CC1 29661561 RLBFWAJDEWEKKC-UHFFFAOYSA-N 305.378 2.240 0 40 DEAB O=C([C@H]1CCCN(c2cnccn2)C1)N1CCc2ccccc2C1 29740440 PEXJGVDCZVWDOM-KRWDZBQOSA-N 322.412 2.278 0 40 DEAB CC(=O)N1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 12391992 RMPFYQJXDCBALX-UHFFFAOYSA-N 313.401 2.181 0 40 DEAB C[C@H]1Cc2ccccc2N1Cc1ccc(S(=O)(=O)N(C)C)o1 47331013 UNKKXUXCTYJHNA-LBPRGKRZSA-N 320.414 2.481 0 40 DEAB CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccoc1 48252938 MRABBZOYOWNBPX-QGZVFWFLSA-N 314.385 2.279 0 40 DEAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1nccc(C)n1 27978970 QVAPVEMFSJXFAB-LBPRGKRZSA-N 315.329 2.310 0 40 DEAB Cn1nc(C(F)(F)F)c(C(=O)C2C(=O)CCCC2=O)c1Cl 103619329 SMJFIMYWLFFKKP-UHFFFAOYSA-N 322.670 2.213 0 40 DEAB CC(C)CN(C1CC1)S(=O)(=O)c1ccc2c(c1)OCCO2 12894058 DPIRTVVGTIPOAA-UHFFFAOYSA-N 311.403 2.267 0 40 DEAB CC(C)(C)C(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 96005128 FFRUUIIEEGDCIF-CQSZACIVSA-N 324.446 2.465 0 40 DEAB Cn1cc(CC(=O)N2CCC[C@@H](C(=O)O)C2)c2ccccc21 49751965 QOWNKHXYMRTLNM-GFCCVEGCSA-N 300.358 2.044 0 40 DEAB CC(=O)Nc1nc(CN2CC[C@@H](Oc3ccncc3)C2)cs1 95428226 MWNMKQULLISUAW-CQSZACIVSA-N 318.402 2.150 0 40 DEAB O=C(COCC(=O)Nc1cccnc1)Nc1ccc(Cl)cc1 13942161 OVGJDZJVYCGEBT-UHFFFAOYSA-N 319.748 2.329 0 40 DEAB 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303.406 2.039 0 40 DEAB C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(Br)cn2)C1 70172415 UBEAIKWUGVIAML-VHSXEESVSA-N 312.211 2.044 0 40 DEAB Cc1ccccc1C1(CNC(=O)CCNC(=O)[C@@H]2C[C@H]2C)CC1 69417876 JYIKBBCWFJHWHG-HUUCEWRRSA-N 314.429 2.305 0 40 DEAB CN(C(=O)CCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1 71904491 OLHHTOCYPBTISN-UHFFFAOYSA-N 310.202 2.391 0 40 DEAB Cc1nc2ccccc2nc1CN1CCC[C@H](Cn2cncn2)C1 69654186 GLDWEEAUALRPLG-HNNXBMFYSA-N 322.416 2.442 0 40 DEAB Cc1nc([C@H](NC(=O)/C=C/c2cccnc2)c2ccccc2)n[nH]1 69894405 IPWBODQZJHMGQA-OAGJVSPASA-N 319.368 2.427 0 40 DEAB O=C(NCCc1cc(F)c(F)c(F)c1)[C@@H](O)c1ccccc1 97079978 QJXGPWGWYHQGGB-HNNXBMFYSA-N 309.287 2.496 0 40 DEAB CNC[C@@H]1CCCN1Cc1ccc(OC)c(OC(F)F)c1 97020361 DDORDYSIKKDZPB-LBPRGKRZSA-N 300.349 2.480 0 40 DEAB CCN1C[C@@H](C(=O)N2CCCC[C@@H]2c2nccs2)CC1=O 72285978 XNFFIKZBINOYRH-NWDGAFQWSA-N 307.419 2.065 0 40 DEAB Cc1cc(C)nc(NS(=O)(=O)c2cc(C)c(F)cc2F)n1 97114336 VLTBWRQPIZHDAG-UHFFFAOYSA-N 313.329 2.481 0 40 DEAB c1ccc2nc(N3CCOCC3)c(NCc3ccon3)nc2c1 95978549 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GGQNCPBSERWGSO-GFCCVEGCSA-N 311.385 2.306 0 40 DEAB COc1cc(S(=O)(=O)NC(C)C)ccc1Br 4667084 GWUSKVYNFQYWAM-UHFFFAOYSA-N 308.197 2.144 0 40 DEAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)NCC(F)(F)F 9313766 PNGKSCLDMWBXPI-VIFPVBQESA-N 319.279 2.344 0 40 DEAB C[C@H](Nc1cncc(Br)c1)[C@@H](C)N1CCOCC1 95961975 VDZYDDNOFAQWIV-WDEREUQCSA-N 314.227 2.365 0 40 DEAB Brc1nc(Br)n(Cc2cscn2)n1 96450977 NBHPAFIGXMWKSN-UHFFFAOYSA-N 324.001 2.308 0 40 DEAB Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCN(C3CC3)C2)c1C 67863946 HISSJFDEVXMORD-OAHLLOKOSA-N 324.428 2.456 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)NCc1ccccc1OC)C(=O)OC 16033599 TYKHLKOSAOIXGT-BXUZGUMPSA-N 308.378 2.082 0 40 DEAB CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@H](C1)C21CC(C(=O)O)=NO1 91302912 JXCFFBUFYAMEKR-SOSAQKQKSA-N 324.377 2.253 0 40 DEAB in-vitro Cc1cc([C@](C)(O)CNC(=O)CC2(O)CCCCC2)c(C)o1 81818948 NRODIJQVYXTGBM-MRXNPFEDSA-N 309.406 2.305 0 40 DEAB O=C1[C@H](NCc2cccc3c2OCO3)CCN1Cc1ccccc1 71841248 NVGBNUKJIQUCSS-MRXNPFEDSA-N 324.380 2.306 0 40 DEAB COc1cc(Cl)ccc1C(=O)N1CCC[C@H](n2cncn2)C1 71847030 ULKIQCPTLTXOFX-LBPRGKRZSA-N 320.780 2.417 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CCN1C(=O)NC(C)(C)C1=O 8389542 YUIFQKKMANQXSE-UHFFFAOYSA-N 323.780 2.307 0 40 DEAB CC(C)[C@H](C)NC(=O)Cn1c(S)nnc1-c1cccs1 17056424 UAWVIFOKULYPRX-VIFPVBQESA-N 310.448 2.456 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnn(C)c3C3CC3)C2)c1 69418515 OGYWNYHNEWNKKG-CQSZACIVSA-N 313.405 2.280 0 40 DEAB COCCNc1nc(Nc2ccccc2C)c2cnn(C)c2n1 17136030 IIBHDHZLFRHVOI-UHFFFAOYSA-N 312.377 2.474 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H]1c2ccccc2C[C@@H]1C 69816458 HKHSYZHPBKZKPE-ZUZCIYMTSA-N 319.430 2.249 0 40 DEAB CCN(CC)CCCNC(=O)[C@H](c1ccccc1)n1cccn1 69848619 QNAZTECSDQBDEE-KRWDZBQOSA-N 314.433 2.321 0 40 DEAB CN(CCN(C)c1ccc2nccn2n1)C(=O)OC(C)(C)C 95982738 IQLBWBVPYZGGPA-UHFFFAOYSA-N 305.382 2.032 0 40 DEAB CN(C(=O)CN(Cc1cccs1)C[C@@H]1CCCO1)C1CC1 95954948 BSTAIPSLZDETIY-AWEZNQCLSA-N 308.447 2.350 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)NC(C)(C)CCO)o2)n1 95994412 OLPBKNFVCKUXJX-UHFFFAOYSA-N 305.378 2.032 0 40 DEAB O=C(O)c1nccnc1C(=O)Nc1cc2c(cc1O)CCCC2 71279878 DMALEJIWGLQCHA-UHFFFAOYSA-N 313.313 2.012 0 40 DEAB Cc1cc(OCC(=O)N(C)[C@H]2CCc3ccccc3C2)no1 74606903 HREMQVBDVXGGOL-HNNXBMFYSA-N 300.358 2.378 0 40 DEAB CCNC(=O)N1CCC(Nc2ccc(-n3cccn3)cc2)CC1 97082136 OQAYTBDGMFKQOO-UHFFFAOYSA-N 313.405 2.478 0 40 DEAB Cc1noc(CCC(=O)OCc2nc(-c3cccs3)no2)n1 84286661 YXYUWIQHIOPGFM-UHFFFAOYSA-N 320.330 2.166 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)NCCC[C@@H]2CCCCO2)CN1C1CC1 97138012 TWGJUYFDSQAGRT-FMKPAKJESA-N 309.454 2.260 0 40 DEAB Cc1ccoc1CN[C@@H]1CCN(S(=O)(=O)C(C)C)C[C@@H]1C 72300648 ZELBEEGQAMHBIF-UONOGXRCSA-N 314.451 2.126 0 40 DEAB CCn1nc2c(cc1=O)CN(c1nc3ccccc3s1)CC2 72302178 GYSTYGYAINXEKN-UHFFFAOYSA-N 312.398 2.436 0 40 DEAB Cc1cc(CS(=O)(=O)NCC2(c3ccc(F)cc3)CC2)on1 72301866 CXJMOOIPWJEECT-UHFFFAOYSA-N 324.377 2.273 0 40 DEAB O=c1[nH]c(Cn2cc(Br)cn2)nc2cccc(F)c12 84445674 NXBYQFMTPQSDCQ-UHFFFAOYSA-N 323.125 2.070 0 40 DEAB NC(=O)c1ccc(OCCC(=O)NC[C@@H]2CC=CCC2)cc1 75093757 DLFINBCBEZNPRP-CYBMUJFWSA-N 302.374 2.027 0 40 DEAB CC(C)[C@@](C)(O)CNS(=O)(=O)c1ccc(F)cc1Cl 89791191 ZJBHRJDLXCJPCM-LBPRGKRZSA-N 309.790 2.164 0 40 DEAB C[C@H](NC(=O)N[C@@H](C)c1c(F)cccc1Cl)C(=O)N(C)C 175958800 NDHBIGOFXQMZKW-IUCAKERBSA-N 315.776 2.316 0 40 DEAB Cc1cc(NC[C@H]2CCN(C)C(=O)C2)nc(-c2ccccn2)n1 519641861 QAXLKDWTDLQUAR-ZDUSSCGKSA-N 311.389 2.127 0 40 DEAB C[C@@H]1CC[C@@H](CCC(=O)N2CCC[C@H]2c2ccc(O)nn2)O1 530074251 AJXAXCDPZKDLKM-DYEKYZERSA-N 305.378 2.193 0 40 DEAB Cc1cc(C(F)(F)F)nc([C@]2(C)CCCN2S(C)(=O)=O)n1 72388375 XPPJPIHSPLUVPB-NSHDSACASA-N 323.340 2.074 0 40 DEAB COc1ccc([C@H]2[C@@H](N)C(=O)N2Cc2ccc(F)cc2)cc1 72228185 FVBINQHIDRCJON-CVEARBPZSA-N 300.333 2.245 0 40 DEAB Cn1ccc(C(=O)N2CC[C@H](Cc3cnc4[nH]ccc4c3)C2)n1 72367652 ITBWGZGDXANROR-GFCCVEGCSA-N 309.373 2.001 0 40 DEAB COc1ccccc1NCC(=O)N[C@H](C)Cn1nc(C)cc1C 79043905 YLFCQXUHVASVCU-CYBMUJFWSA-N 316.405 2.125 0 40 DEAB CN(Cc1ccco1)C(=O)[C@H]1CCC(=O)N1Cc1cccs1 72239681 NOQPKJAPQZTDHE-CQSZACIVSA-N 318.398 2.491 0 40 DEAB CSCc1cc(F)ccc1CNC(=O)N1CCC[C@@H]1CO 88631735 ZDDYFTKYEWRUGV-CQSZACIVSA-N 312.410 2.355 0 40 DEAB Cc1ccc([C@H](C)N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)o1 193188725 LRZJKIFFWMDFKT-DTWKUNHWSA-N 321.299 2.015 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)[C@@H](C)C(=O)N(C)C)c2ccccc21 194077456 UEXPNDBYLSXRJQ-STQMWFEESA-N 324.446 2.197 0 40 DEAB O=C(CCc1c(F)cccc1Cl)N1CC(n2ccnn2)C1 225691847 ZZAUOXKISXRNMO-UHFFFAOYSA-N 308.744 2.087 0 40 DEAB Cc1nn(-c2ccc3c(c2)OCCO3)c(C)c1CCC(=O)O 85398108 VZBHVUVQSKUALX-UHFFFAOYSA-N 302.330 2.278 0 40 DEAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O2 85876908 HEURQCDPYGHEMK-SECBINFHSA-N 305.717 2.483 0 40 DEAB biogenic COCCCN1CCCC12CCN(c1ccc(C)nn1)CC2 96075271 SBOQBAZENJAGGC-UHFFFAOYSA-N 304.438 2.256 0 40 DEAB O=C(c1ccnc2ccncc12)N1CCCC[C@@H]1[C@@H]1CCNC1 333856749 RCUOKGBANQOMNQ-CXAGYDPISA-N 310.401 2.234 0 40 DEAB CC(C)Cn1nnc2ccc(NC(=O)c3ccncc3)cc2c1=O 96231619 SNLLEKAFIKCPKC-UHFFFAOYSA-N 323.356 2.095 0 40 DEAB Clc1cnccc1NC[C@]1(N2CCOCC2)CCSC1 96454001 WKLXDZSWUIXDBY-CQSZACIVSA-N 313.854 2.355 0 40 DEAB CC[C@@H](C(=O)N[C@@H](C)c1cnn(C(C)C)c1)N1CCCC1=O 95405588 LVFMOBRQGIBAGL-JSGCOSHPSA-N 306.410 2.042 0 40 DEAB c1cnc(N2CCC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1 96223650 SFTPCRNUUBVWFO-WBVHZDCISA-N 312.373 2.079 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 97235303 QAAXLHSAKRLJSO-CQSZACIVSA-N 304.321 2.315 0 40 DEAB COC(=O)[C@]12CCC[C@H]1CN(Cc1ccc(NC(C)=O)cc1)C2 97084962 MGJUZQJCBQWIJW-YJBOKZPZSA-N 316.401 2.420 0 40 DEAB O=C(C[C@H]1CSCCS1)N1CCC(n2cccn2)CC1 96483612 KDHKHYBQYFKLDZ-ZDUSSCGKSA-N 311.476 2.285 0 40 DEAB O=C(C[C@H]1OC[C@H]2CN(Cc3ccsc3)CC[C@H]21)NC1CC1 96206050 VWPRVUCMBKGICY-FVQBIDKESA-N 320.458 2.254 0 40 DEAB Cn1cc(N2C(=O)CC[C@@H]3[C@H]2CCN3CCc2ccccc2)cn1 96038669 KDCCLDJHYFZTFP-QZTJIDSGSA-N 324.428 2.233 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)Cc1cc(C(N)=O)cs1 96489469 UULJFTTVOYCLFU-UHFFFAOYSA-N 318.398 2.250 0 40 DEAB CC(C)n1ccc2c(C(=O)NCCN3CCOCC3)cccc21 95479041 VVHCFKFNOGACSP-UHFFFAOYSA-N 315.417 2.284 0 40 DEAB CC(=O)Nc1cccc(CN(C)[C@H]2CCC[C@H]2S(C)(=O)=O)c1 245289951 GGXRKSRQIDNOQG-JKSUJKDBSA-N 324.446 2.043 0 40 DEAB O=C(c1ccncc1)N1CC2(C[C@@H](OCC3CC3)CS2)C1 247884108 WMDOFURERIJYMR-CQSZACIVSA-N 304.415 2.208 0 40 DEAB Cc1cc(CN(C)Cc2ccnc([C@]3(C)CCCO3)n2)no1 257236401 HBZCYGBSQRBWKZ-INIZCTEOSA-N 302.378 2.431 0 40 DEAB COC(=O)c1c[nH]c(S[C@@H](C(=O)OC)c2ccsc2)n1 252489314 JOBWXWFAZRIPJV-SECBINFHSA-N 312.372 2.264 0 40 DEAB CC(=O)N1CCC(c2cc(-c3cnc(C)n3C)nc(C)n2)CC1 257271808 MZWKOMBHHTYBQT-UHFFFAOYSA-N 313.405 2.220 0 40 DEAB CNc1nccnc1C[C@H]1CCCN(C(=O)c2cscn2)C1 257250217 JLOSFSAXSZHWIT-LLVKDONJSA-N 317.418 2.070 0 40 DEAB Cc1nc(C(=O)N2CCCC[C@]3(C)NC(=O)CCC[C@H]23)co1 257216388 CUIVYZUYVRBCDV-BBRMVZONSA-N 305.378 2.037 0 40 DEAB Cc1c[nH]c([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 257305527 SQKRQFAZEYUWEE-ZDUSSCGKSA-N 309.366 2.383 0 40 DEAB O=C(NC/C(Br)=C\Br)C(F)(F)F 17000244 OBZDEZAJKKMVRW-HNQUOIGGSA-N 310.895 2.296 0 40 DEAB O=C(Nc1cnn(C2CCOCC2)c1)c1ccc2c(c1)OCO2 96104570 XIPAAQWEMOISMO-UHFFFAOYSA-N 315.329 2.216 0 40 DEAB CC(C)CCC(=O)N1CCn2cc(C(=O)NC(C)C)nc2[C@@H]1C 585096587 UYRKAWXZBRKJMA-ZDUSSCGKSA-N 320.437 2.361 0 40 DEAB c1cnn(-c2ccc(CN3CCC[C@@H]3Cn3cncn3)cc2)c1 69629530 KWLWXODCXSINEV-QGZVFWFLSA-N 308.389 2.128 0 40 DEAB CC(C)[C@H](C(=O)N1CC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 71793034 KDRNUVGKZVBUFY-OCCSQVGLSA-N 308.809 2.413 0 40 DEAB Cc1ccc(CNC(=O)NCc2nnc3n2CCCCC3)s1 43779704 BCMLBSOZEIEZSC-UHFFFAOYSA-N 319.434 2.374 0 40 DEAB C[C@@H](NC(=O)NC[C@@H]1COCCO1)c1ccc2c(c1)CCCC2 57082186 GIGQKAQHVLSHLU-CXAGYDPISA-N 318.417 2.341 0 40 DEAB CNC(=O)CNC(=O)N[C@H](CC(C)C)c1ccc(Cl)cc1 73501044 FUEKDPKFYNGDMA-CYBMUJFWSA-N 311.813 2.472 0 40 DEAB CC(C)[C@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(Cl)cc1F 96006718 MKTYBADBPCMKIF-JTQLQIEISA-N 312.732 2.018 0 40 DEAB CCN(CC)CCNC(=S)Nc1ccc(C(=O)OC)cc1 5866742 KNGDFDZMNHLGKC-UHFFFAOYSA-N 309.435 2.101 0 40 DEAB CCc1cccc2c(O)c(C(=O)NC[C@@H]3CCCO3)cnc12 12498631 XTEYZUJNAZUIMP-LBPRGKRZSA-N 300.358 2.412 0 40 DEAB N[C@@H](CNS(=O)(=O)c1ccccc1Cl)c1ccccc1 36297614 DZWRGWPEZQASHL-ZDUSSCGKSA-N 310.806 2.318 0 40 DEAB in-vitro CSc1ccccc1NC(=O)CSc1nnc(C)c(O)n1 4663077 HEEGXFRCEDVILR-UHFFFAOYSA-N 322.415 2.338 0 40 DEAB FC(F)(F)c1ccc(N2CCN(c3cnsn3)CC2)nc1 1889090948 VGXNBXFBUURGJD-UHFFFAOYSA-N 315.324 2.279 0 40 DEAB Cc1cnc(N(C)[C@H]2CCCN(C(=O)NC3CCCC3)C2)nc1 1889128411 DIAVFLHPXCXCOO-HNNXBMFYSA-N 317.437 2.338 0 40 DEAB O=C1[C@H]2CN(C(=O)C3(F)CCC3)C[C@H]2CN1c1ccsc1 1565545554 IMAULKOJJFKUID-JQWIXIFHSA-N 308.378 2.062 0 40 DEAB CS(=O)(=O)N1CCN=C1SCc1c(F)cccc1Cl 2711557 IZNKAQJBVPNSQD-UHFFFAOYSA-N 322.814 2.344 0 40 DEAB CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(Cn2cccn2)o1 40541071 JEZARNWMCWQSRS-AWEZNQCLSA-N 318.421 2.231 0 40 DEAB C[C@H](NC(=O)COC(=O)c1ccccc1O)[C@H]1C[C@H]2CC[C@H]1C2 102175376 WHIOSCOFBHGYBV-PWNZVWSESA-N 317.385 2.490 0 40 DEAB NC(=O)c1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 32739735 QSFIIWLNYNOQIW-MRXNPFEDSA-N 309.369 2.217 0 40 DEAB CCc1nc(CN2CCN(Cc3cc(C)no3)CC2)cs1 42632120 UHRYLSODDXJLKZ-UHFFFAOYSA-N 306.435 2.320 0 40 DEAB O[C@H](CNCc1ccc2c(c1)OCO2)COc1ccc(F)cc1 118406 YJAFJKPJRYZPOL-CQSZACIVSA-N 319.332 2.084 0 40 DEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)C2CCCC2)c1 1016964 VHPLHTFDZOVACL-UHFFFAOYSA-N 305.330 2.389 0 40 DEAB C[C@H](NC(N)=O)C(=O)N(C)C1c2ccccc2-c2ccccc21 78992617 MEEMQQOYUBLNBV-NSHDSACASA-N 309.369 2.272 0 40 DEAB C[S@](=O)C[C@H](NC(=O)c1ccncc1F)c1ccccc1 78972122 YYWTTXXJASSWJN-LHSJRXKWSA-N 306.362 2.070 0 40 DEAB CC(C)N(C1CC1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 24688409 IJJFYQUAUQODCP-UHFFFAOYSA-N 322.430 2.375 0 40 DEAB Cc1ccc([S@@](=O)CCNC(=O)Cc2ccccc2)cc1 1382519 PWGHSCOTEUDUTH-OAQYLSRUSA-N 301.411 2.462 0 40 DEAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 3481233 IOCLRYPNJPJTOX-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB CCOc1cccc(N2CCN(C(=O)c3occc3C)CC2)n1 106706920 XRAHTOIFWPDKIT-UHFFFAOYSA-N 315.373 2.344 0 40 DEAB Nc1c(C(=O)N2CCCCCC2)nnn1-c1ccc(F)cc1 4984714 BLWWNBRTJLPHFE-UHFFFAOYSA-N 303.341 2.005 0 40 DEAB Cn1nnc2cc(C(=O)O[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)ccc21 107355755 ORPQJHAPIJUETK-TUKIKUTGSA-N 315.373 2.329 0 40 DEAB CC1(CCNC(=O)NCCc2cc3ccccc3[nH]2)OCCO1 97115832 WZQIMRVLFAWCJD-UHFFFAOYSA-N 317.389 2.163 0 40 DEAB Cc1cc(C)n(CCCNC(=O)NC2Cc3ccccc3C2)n1 97140451 XXABNWKVTKPMPX-UHFFFAOYSA-N 312.417 2.357 0 40 DEAB CC1=CCC[C@H](C)[C@@H]1CN[C@@H]1CCN(c2cnn(C)c2)C1=O 97101289 ZJUHQXQVLAXZSC-NUEKZKHPSA-N 302.422 2.107 0 40 DEAB CSc1nc(O)c2[n+](n1)[C@H](c1ccco1)Nc1ccccc1-2 27233053 NJLFJDAZWZFOHM-CYBMUJFWSA-O 313.362 2.424 0 40 DEAB O=c1c2ccc(F)cc2ncn1Cc1cccc2c1OCCO2 58200915 GUFHNXKQRRMDOJ-UHFFFAOYSA-N 312.300 2.355 0 40 DEAB O=C(C[C@H]1COCCN1C(=O)c1ccsc1)c1ccco1 95418255 MNJCOBLLPAMZSP-LBPRGKRZSA-N 305.355 2.455 0 40 DEAB C[C@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)[C@@H](C)CO1 45448498 APOVPWZHAJKQDL-QWRGUYRKSA-N 321.402 2.367 0 40 DEAB O=C(CN1[C@H]2CC[C@H]1CC(O)(c1ccco1)C2)N1CCCCC1 100127721 SHSUDKWAMFHXPR-GJZGRUSLSA-N 318.417 2.107 0 40 DEAB COC(=O)c1cccc(OCCn2nnc(-c3ccccc3)n2)c1 60086057 CYGRYUHRAVXVMI-UHFFFAOYSA-N 324.340 2.206 0 40 DEAB Cn1cc(C2CCN(C[C@@H](O)c3cccc(F)c3)CC2)cn1 97202972 LUNNSLIJOQRUSR-QGZVFWFLSA-N 303.381 2.472 0 40 DEAB OCCn1ncc2c(NCCc3ccc(Cl)cc3)ncnc21 97200060 VJDYNMFSEBSZSK-UHFFFAOYSA-N 317.780 2.127 0 40 DEAB COCCn1cc(C(=O)Nc2ccccc2Cl)ccc1=O 47195252 QKBTXDSFDDZFNS-UHFFFAOYSA-N 306.749 2.400 0 40 DEAB Cn1ncc(Cl)c1-c1nn2c(-c3ccccn3)nnc2s1 72404503 MDHHBWDCBMXCIS-UHFFFAOYSA-N 317.765 2.302 0 40 DEAB CCCNC(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O 23017890 HSOGIUPVSSUGCH-DTQAZKPQSA-N 312.369 2.381 0 40 DEAB O=Cc1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 3372909 HBOQSVOONYFTTR-UHFFFAOYSA-N 303.339 2.034 0 40 DEAB O=C(c1ccc(Cl)s1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 84445174 PZNIHVFTMQRAIE-MNOVXSKESA-N 314.838 2.073 0 40 DEAB O=C(CN1CCCCC1=O)N[C@@H](c1ccccc1)C(F)(F)F 97414552 WNMZDIQAWQTLFH-AWEZNQCLSA-N 314.307 2.419 0 40 DEAB CN(CCNC(=O)N1CCc2ccccc2C1)CC(F)(F)F 95395557 ITNPKWDMKGWDRG-UHFFFAOYSA-N 315.339 2.248 0 40 DEAB Nc1nc2nc3c(c([C@H]4CC=CCC4)c2c(=O)[nH]1)C(=O)CCC3 20673679 NLTIEFRAMASIHB-VIFPVBQESA-N 310.357 2.243 0 40 DEAB CCn1cc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)cn1 14256557 NJPWWZXBBFDDIF-UHFFFAOYSA-N 323.271 2.260 0 40 DEAB C[C@H](NC(=O)[C@@H](C)O[C@@H]1CCC[C@@H](C)C1)C(=O)N1CCCCC1 110597495 UPVJWFYWPGVHRP-QKPAOTATSA-N 324.465 2.487 0 40 DEAB C[C@H](OC1CCCCCC1)C(=O)N1CCCC[C@H]1CC(N)=O 95414993 FTEIXDWNQVOSKX-KBPBESRZSA-N 310.438 2.371 0 40 DEAB CC(C)C1CCN(C(=O)NCC(=O)N(C)CC(F)(F)F)CC1 96444047 WQMKXKUAWKEXNW-UHFFFAOYSA-N 323.359 2.085 0 40 DEAB NC(=O)[C@H](Sc1ncc[nH]1)c1cccc(Br)c1 95448541 PBUARTSBPMOPPZ-SECBINFHSA-N 312.192 2.491 0 40 DEAB COc1ccc(C)cc1[C@H](O)CN[C@@H](C)Cn1cc(C)cn1 71874960 CDTYKZBRRZXWQT-GOEBONIOSA-N 303.406 2.220 0 40 DEAB CCCCC(=O)OCc1nc(N)nc(Nc2ccccc2)n1 7370756 SKIPGCGVRQYKOK-UHFFFAOYSA-N 301.350 2.431 0 40 DEAB CC(C)CN1CCC(Cc2n[nH]c(=O)n2-c2ccccc2)CC1 67805841 UWKRMTUVTAHSLH-UHFFFAOYSA-N 314.433 2.471 0 40 DEAB Cc1cc(COC(=O)CCn2c(=O)oc3ccccc32)no1 7846121 XWXPRQCOLAFFDK-UHFFFAOYSA-N 302.286 2.024 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)/C=C/c1nccs1 71903984 ODBXNTGUORDHDK-AATRIKPKSA-N 316.430 2.142 0 40 DEAB Cc1cc(S(=O)(=O)N2CCCC[C@@H]2[C@@H](C)O)sc1C 91047806 OOWJLJMRSKGJBF-ZYHUDNBSSA-N 303.449 2.289 0 40 DEAB C[C@H](O)CN1CCC(CNc2ncnc3ccccc23)CC1 69368754 RYAJDYXWCXDVEV-ZDUSSCGKSA-N 300.406 2.135 0 40 DEAB Cc1cccc(CCNC(=O)C2CCN(c3ncccn3)CC2)c1 69351719 LCOGZFVQQXAVQR-UHFFFAOYSA-N 324.428 2.360 0 40 DEAB C[C@H](Cn1cccn1)NCC(=O)N(C1=CCCCC1)C1CC1 69387272 CHKINJHAUJJTJC-CQSZACIVSA-N 302.422 2.310 0 40 DEAB COCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1 69462964 VECHMTGWQSWCBX-UHFFFAOYSA-N 310.825 2.315 0 40 DEAB O=C(CCCOCCc1ccccc1)NCc1cc[nH]c(=O)c1 69533430 LIDSMQJGLBUWBX-UHFFFAOYSA-N 314.385 2.031 0 40 DEAB Cc1cccc(-c2nnc(CN3CCC[C@@H]3C(=O)N(C)C)o2)c1 96993148 LUMIHHQGHAVWBQ-CQSZACIVSA-N 314.389 2.098 0 40 DEAB CCc1[nH]ncc1C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1 69601712 YQYHYUWKYRQNBS-HNNXBMFYSA-N 316.405 2.440 0 40 DEAB CC(C)c1nc2c(n1C)CCN(CCC(=O)N1CCCCC1)C2 69617202 WUEWMHLWLHPSFU-UHFFFAOYSA-N 318.465 2.304 0 40 DEAB Cc1nscc1C(=O)N1C[C@@H](C)NC(=O)c2ccccc21 97080489 RNQKHVIDOIRODF-SECBINFHSA-N 301.371 2.230 0 40 DEAB COc1cc(Cl)ccc1CNC(=O)N1CCC(CO)CC1 72271629 VWBFDRMVYDUKIA-UHFFFAOYSA-N 312.797 2.263 0 40 DEAB Cc1ccc(N2CCC[C@@H](NCC3(O)CCCCC3)C2)nn1 72253903 OVGGQSNHYFJBSE-OAHLLOKOSA-N 304.438 2.039 0 40 DEAB CN1C(=O)C(O)=C(c2ccc3ccccc3n2)[C@@H]1c1cnn(C)c1 95953132 ZEAKCEVGISCSRY-INIZCTEOSA-N 320.352 2.451 0 40 DEAB Cc1cc(C)c(CNC(=O)Cc2cccc3cccnc23)c(=O)[nH]1 89568547 HBIUYZWICTYSRO-UHFFFAOYSA-N 321.380 2.399 0 40 DEAB Cc1cc(CS[C@H]2CCCN(c3cnn(C)c3)C2=O)no1 89605007 QOJZYLDWHCKENQ-ZDUSSCGKSA-N 306.391 2.145 0 40 DEAB CSc1ccc(OCCN2CCC(CC(N)=O)CC2)cc1 75638783 XNTSOCZZERVBQT-UHFFFAOYSA-N 308.447 2.375 0 40 DEAB C[S@@](=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1F 76060166 ZBRJSYMAXWTTJQ-IBGZPJMESA-N 313.375 2.364 0 40 DEAB O=C(CCn1cncn1)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412809 KBDSCIHHUUYTBS-BURFUSLBSA-N 310.401 2.367 0 40 DEAB CC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@H]1c1ccc(C)cc1 33662988 OVSACNJGYGVYJL-WNRNVDISSA-N 302.370 2.213 0 40 DEAB O=C(CCc1cncnc1)NCc1ncc(-c2ccccc2)o1 555840733 BIOIQCOBJDPRCG-UHFFFAOYSA-N 308.341 2.381 0 40 DEAB CC[C@@H]1CCC[C@H](NC(=O)NCCNC(=O)c2cccnc2)C1 77610966 POVGFVJJSSHJOO-HIFRSBDPSA-N 318.421 2.079 0 40 DEAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccn(C)c1=O 74020444 JYOSMDFRMWIKEN-JTQLQIEISA-N 306.749 2.445 0 40 DEAB CCc1noc(CC)c1CN[C@H]1CCCC[C@@H]1S(C)(=O)=O 183098326 NVKTUXLOHACSRZ-ZFWWWQNUSA-N 314.451 2.245 0 40 DEAB O=C(CN1CCC[C@@H]1COc1ccccc1)NCC(F)(F)F 79090891 ILRHEWQJFWCKOW-GFCCVEGCSA-N 316.323 2.208 0 40 DEAB CCOCCCN1Cc2nc(N3CCC[C@H](C)C3)ncc2C1=O 46088026 ZMFPRMFBAXPWRE-ZDUSSCGKSA-N 318.421 2.095 0 40 DEAB Cc1noc(C)c1NC(=O)C1CCN(C(=O)c2ccco2)CC1 63447399 HOHSINXSLBCSGC-UHFFFAOYSA-N 317.345 2.375 0 40 DEAB Cn1c(CO)cnc1SCC(=O)NC1CCCCCCC1 81278223 KCIAYQJSTHKEGI-UHFFFAOYSA-N 311.451 2.234 0 40 DEAB COc1cc(C(=O)N2CC[S@@](=O)[C@@H](C)[C@@H]2C)ccc1Cl 195546368 UBHGCVQZFGIGMQ-QDDONVENSA-N 315.822 2.330 0 40 DEAB C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CC1 135591676 GQPXKUKQIFAQAX-COLVAYQJSA-N 313.394 2.374 0 40 DEAB COCCNC(=S)Nc1ccc(N2CCCC[C@@H]2C)nc1 223885893 GRYVIEUOMJXUBM-LBPRGKRZSA-N 308.451 2.393 0 40 DEAB COc1ccccc1CNC(=O)Cn1ccc(=O)c2ccccc21 225720686 VWGGXRXUKICZOL-UHFFFAOYSA-N 322.364 2.327 0 40 DEAB Cc1noc(C)c1CCC(=O)NC[C@H]1Cc2ccccc2CO1 225784478 XKXGLTROXOOUBW-MRXNPFEDSA-N 314.385 2.482 0 40 DEAB c1ccc(O[C@@H]2COC3(CCN(C4CCOCC4)CC3)C2)nc1 96110830 CISKZWPZHYBWNV-INIZCTEOSA-N 318.417 2.263 0 40 DEAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)c1cccc(C)n1)C2 96056839 IDBSNSLBPVQXJO-AEFFLSMTSA-N 318.417 2.438 0 40 DEAB CC(C)n1cc(S(=O)(=O)N[C@H](C)Cc2ccsc2)cn1 96427776 WOLJLHDVICRHAP-LLVKDONJSA-N 313.448 2.435 0 40 DEAB O=C1c2ccccc2C(=O)N1CCNc1ccc2c(c1)COC2 97378267 LZNGEIFIHDMMDZ-UHFFFAOYSA-N 308.337 2.425 0 40 DEAB O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ncccn1)C2 96046602 GKYIENAUPQRSKF-UHFFFAOYSA-N 323.400 2.004 0 40 DEAB Cc1noc([C@@]23CCO[C@@H]2CCN(C(=O)c2ccsc2)C3)n1 96038733 RWNSYLYNXQLSNA-IUODEOHRSA-N 319.386 2.012 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCCc2cccc(O)c2)cc1F 96413565 QCABJGHWCFJOBK-UHFFFAOYSA-N 316.332 2.137 0 40 DEAB Cc1nnc([C@@H]2CCO[C@@H]3CCN(Cc4ccccn4)C[C@@H]32)o1 96043518 MPFYCMJGWDFBEU-BZUAXINKSA-N 314.389 2.168 0 40 DEAB COc1ncc(Cl)c(NC[C@H]2CCN(CC(F)(F)F)C2)n1 96476013 FLLRNFRHQNMOIJ-MRVPVSSYSA-N 324.734 2.435 0 40 DEAB O=C(c1ccnc2ccncc12)N1CCCC[C@@H]1[C@H]1CCNC1 333856752 RCUOKGBANQOMNQ-SUMWQHHRSA-N 310.401 2.234 0 40 DEAB c1cnc(N[C@@H]2CO[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 96219338 YZURFVWBQNALLG-BBRMVZONSA-N 316.430 2.384 0 40 DEAB COc1ccccc1C(=O)NCC(=O)N1CCC[C@H]1CC(C)C 97096074 LLOJTPCUJVTIAC-AWEZNQCLSA-N 318.417 2.462 0 40 DEAB C[C@H](CC[C@H]1CCCO1)NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 245263889 BJFGHFBXASYXAZ-VNQPRFMTSA-N 322.449 2.099 0 40 DEAB Cc1ocnc1C(=O)N1CCCC[C@H]1c1ccn2ccnc2n1 257293108 QODDOJMCUWYOLL-ZDUSSCGKSA-N 311.345 2.393 0 40 DEAB CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2C)C1 253489137 DCMBBEFOBUEBOA-UTXMOHQDSA-N 315.417 2.153 0 40 DEAB CNc1cncc([C@H]2CCCN2C(=O)CC2(O)CCCCC2)n1 257294492 QUKLSYFRVMWXDF-CQSZACIVSA-N 318.421 2.267 0 40 DEAB O=S(=O)(NCCCn1ccc2cccnc21)c1ccccc1 96353536 NQTSPIVGNQAWCE-UHFFFAOYSA-N 315.398 2.405 0 40 DEAB O=C(NCc1ccc2c(c1)COC2)N[C@H]1c2ccccc2C[C@H]1O 390835112 CYGAOYNTPCJGOQ-MSOLQXFVSA-N 324.380 2.174 0 40 DEAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccc(C)c(F)c2)C1 585278524 UEGITDNSYROBDJ-QGZVFWFLSA-N 322.380 2.021 0 40 DEAB COC(=O)c1ccc(OC(=O)c2ccnc(N(C)C)c2)cc1 47977651 BYTYLBCIGHUPSF-UHFFFAOYSA-N 300.314 2.153 0 40 DEAB Cn1cnnc1CCNC(=O)C(C)(C)c1ccccc1Cl 75137431 OFLWKUNEFYZMIA-UHFFFAOYSA-N 306.797 2.105 0 40 DEAB Cc1noc([C@@H]2CCCN2C(=O)CCc2c(C)noc2C)n1 90608556 CSCBMADHDHKPKT-ZDUSSCGKSA-N 304.350 2.279 0 40 DEAB Cc1ccc(C[C@@]2(CO)CN(Cc3cc(C)on3)CCO2)cc1 1615142724 VDBYTHWDVHAZSX-SFHVURJKSA-N 316.401 2.097 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)c(C)c1 17054301 YNTFPZKHCJCOIL-ZIRHEVKLSA-N 317.385 2.359 0 40 DEAB Cn1cc(CN2CCN(CC3(c4ccccc4)CC3)CC2)cn1 19290703 FSECZRZBRMAENB-UHFFFAOYSA-N 310.445 2.270 0 40 DEAB CC(=O)N1CC(C(=O)N2CCC[C@H]2c2cc(C)ccc2C)C1 19747515 XDZSQORFAWNYDX-KRWDZBQOSA-N 300.402 2.445 0 40 DEAB O=C(Cn1cnc2ncccc2c1=O)Nc1ccc(Cl)cc1 12750724 JEBATMNOYHYGSZ-UHFFFAOYSA-N 314.732 2.084 0 40 DEAB O=C(Nc1ccc2c(c1)OCCO2)c1ncnc2c1CCCC2 1888857254 VTCWOCMAJAZGDN-UHFFFAOYSA-N 311.341 2.379 0 40 DEAB O=C([C@H]1CO[C@@H]2CN(CC3CCCCC3)C[C@@H]21)N1CCCC1 2055713288 URSYYAQMSIWFKQ-IXDOHACOSA-N 306.450 2.136 0 40 DEAB CN1CCN([C@@H](CNC(=O)C(C)(C)C)c2ccsc2)CC1 22794259 PNEDWXXSSOXBIV-AWEZNQCLSA-N 309.479 2.199 0 40 DEAB CCn1nc(C)c2nc(S)n(CCc3ccccc3)c(=O)c21 575616031 NTSJLYLUXCCRJT-UHFFFAOYSA-N 314.414 2.453 0 40 DEAB O=C(c1ccc(F)cc1Cl)N1CC(Nc2cnccn2)C1 826572113 LPRMMHCJBQYDHS-UHFFFAOYSA-N 306.728 2.206 0 40 DEAB Cc1ccc(N2C(=O)C[C@@H](Sc3ncn[nH]3)C2=O)c(Cl)c1 96850535 LLFCYWCOWRVPDN-SNVBAGLBSA-N 322.777 2.191 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCO2)c2cccnc12 40071784 MDGSZFXUHPKBRF-JSGCOSHPSA-N 320.414 2.389 0 40 DEAB Cn1ncc(C(=O)NCCc2cccc(F)c2)c1-n1cccc1 30935545 YOMDAPCVVBOJRS-UHFFFAOYSA-N 312.348 2.322 0 40 DEAB CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1 100537820 PDGZTZWXZMAORN-JURCDPSOSA-N 313.353 2.399 0 40 DEAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nc(C)cc1C 40474096 FYYXKLFQJAEURL-UHFFFAOYSA-N 315.373 2.277 0 40 DEAB COCCNC(=O)Nc1ccc(I)cc1 40525684 XIABZEMZNQOMMF-UHFFFAOYSA-N 320.130 2.059 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N(C)C2CCCCCC2)c1 40504495 UQVWGPPMPCKLAQ-UHFFFAOYSA-N 324.446 2.390 0 40 DEAB Nc1cc(=O)[nH]c(S[C@H]2CCc3ccccc3N=C2O)n1 20729020 FIUKVCHTZRLTIJ-JTQLQIEISA-N 302.359 2.047 0 40 DEAB COc1cc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)ccc1O 21525114 JBAHRTXVIGYGKW-CYBMUJFWSA-N 305.359 2.207 0 40 DEAB COCCn1c(SCC(=O)N[C@H](C)C(C)C)nc(C)c1C 32893989 YNTPIDNVXHLRPF-LLVKDONJSA-N 313.467 2.399 0 40 DEAB CC(C)C[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)N1CCCC1 32816911 CANKNAURZLROFL-CQSZACIVSA-N 315.417 2.200 0 40 DEAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H]1CCOC1 41369149 LWHORFRMWRHPQF-ZDUSSCGKSA-N 300.358 2.345 0 40 DEAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)O)C1 41543263 JDQPRLKFKXTIPF-LLVKDONJSA-N 309.337 2.306 0 40 DEAB CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)C1CC1 23040442 BUBLPZIKILKTKU-JQWIXIFHSA-N 310.419 2.046 0 40 DEAB C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccn2)CC1 24060543 AUOSRZZDLBOOEX-LSDHHAIUSA-N 302.422 2.492 0 40 DEAB Cc1nc(SCC(=O)NC[C@H]2CCCO2)nc2ccccc12 527482 QXYOQBIZJLQBKN-GFCCVEGCSA-N 317.414 2.326 0 40 DEAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N=c1[nH]cc[nH]1 79501913 LRDDCGVWKUZAKW-UHFFFAOYSA-N 301.737 2.138 0 40 DEAB COC(=O)c1ccc(NC(=O)COc2ccccc2C=O)cc1 4201614 UVHLLYMEFUMUOR-UHFFFAOYSA-N 313.309 2.303 0 40 DEAB COC(=O)c1ccc(OC[C@@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 4279626 ZXBYFFLADVVWFF-FMKPAKJESA-N 321.417 2.191 0 40 DEAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(N)cc(N)n2)cc1F 7203221 UUADNQHTVRPKDU-MRVPVSSYSA-N 321.381 2.208 0 40 DEAB C[C@H](OC[C@H]1CCCO1)C(=O)Oc1ccc(-n2cccn2)cc1 72292747 HGZWQHVADYCZBZ-XJKSGUPXSA-N 316.357 2.362 0 40 DEAB Cc1ccsc1CNC(=O)C1CCN(C(=O)C2CC2)CC1 25677969 YTDJPSIDTVQICQ-UHFFFAOYSA-N 306.431 2.321 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N[C@@H]2C[C@H]3CC[C@H]2O3)cn1 108104747 FLHBFSIGPWDKSO-JHJVBQTASA-N 310.419 2.386 0 40 DEAB O=C(Nc1cc(C2CC2)nn1-c1ncccn1)c1cccnc1 108729575 HMAXDCHHWRNMIF-UHFFFAOYSA-N 306.329 2.187 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102837893 VNWXHMFOBBEDBR-HYNSBDGHSA-N 311.451 2.140 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)c2ccncc2)c2c(C)nn(C)c2n1 27408415 OTUKQKNLOPNSLA-NSHDSACASA-N 309.373 2.471 0 40 DEAB CC(C)c1cc(NC(=O)C2CCN(C(=O)C3CC3)CC2)[nH]n1 58158501 ZITUFXKDRJDGSL-UHFFFAOYSA-N 304.394 2.120 0 40 DEAB COc1ccc(NC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)cc1OC 58161429 YMXKYVOXYVRLBM-CHWSQXEVSA-N 301.346 2.180 0 40 DEAB CN(C(=O)c1ccc(-c2ncon2)cc1)[C@H](CO)C(C)(C)C 97112936 YULHBPRFBNOCPJ-CYBMUJFWSA-N 303.362 2.216 0 40 DEAB CCN(CC)C(=O)CCCOc1ccc(S(C)(=O)=O)cc1 58283526 BOBYOERHDQTTCJ-UHFFFAOYSA-N 313.419 2.118 0 40 DEAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)[C@H]1CCCO1 27876324 ZRJSSGJGUWVDQB-GHMZBOCLSA-N 321.402 2.414 0 40 DEAB Cc1ncccc1C(=O)N1CCN([C@H](C)c2ccccn2)CC1 97142458 XDVRXXIIVBIOMF-OAHLLOKOSA-N 310.401 2.304 0 40 DEAB C[C@@H](O)CN(CC(=O)NCc1ccccc1F)c1ccccc1 58324681 HKDLNMFHCSDMBE-CQSZACIVSA-N 316.376 2.329 0 40 DEAB COC(=O)c1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 10508785 AUEDBVIVAKNPNK-UHFFFAOYSA-N 315.373 2.395 0 40 DEAB Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1 101420251 FFCDJPNNTYBAHH-PYTWLRIVSA-N 324.380 2.131 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)c1cc2ccccc2n1C 36369957 LXVWCJHPZOVPRI-LBPRGKRZSA-N 320.414 2.203 0 40 DEAB biogenic Cc1cc(C)nc(NC(=O)[C@@H](C)Oc2ccc3c(c2)OCO3)n1 27974611 YNLVHFJNMUHZPX-LLVKDONJSA-N 315.329 2.228 0 40 DEAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CC[C@H](C(N)=O)C1 48039207 LLTZXFWJTVARTN-ONGXEEELSA-N 320.780 2.258 0 40 DEAB COCCc1noc(C(C)(C)c2ccc3c(c2)OCCO3)n1 84370355 SYZMRYUPTOQDQH-UHFFFAOYSA-N 304.346 2.356 0 40 DEAB CC(=O)c1ccc(NC(=O)c2nn(C)c(=O)c3ccccc23)cc1 3561729 FPIFXVAOZWBWIV-UHFFFAOYSA-N 321.336 2.388 0 40 DEAB O=C(O)[C@@H]1CN(C(=O)Cc2ccc(F)cc2)c2ccccc2O1 13435192 SQOXBLNYIBONFB-HNNXBMFYSA-N 315.300 2.247 0 40 DEAB COC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 5045629 ATFQHWHBTYSRJW-UHFFFAOYSA-N 313.309 2.497 0 40 DEAB Cc1cc(NC(=O)COc2ccc(-c3nnco3)cc2)no1 6177508 KCWBEYCBVMHZJO-UHFFFAOYSA-N 300.274 2.051 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)O 5162086 KYTSFMHGUZQSFG-RNCFNFMXSA-N 310.350 2.325 0 40 DEAB COC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 39977596 DCASNCIMQFLGDH-QMTHXVAHSA-N 312.797 2.058 0 40 DEAB Cc1cc(C)cc(NC(=O)CN2CCC[C@@H](n3cncn3)C2)c1 65565516 RIZSLHBOZYCLDK-MRXNPFEDSA-N 313.405 2.171 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCOc1ccc(F)cc1 65540784 MOBBHKAHHROOPH-CHWSQXEVSA-N 322.380 2.097 0 40 DEAB COCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 65625602 BZCRMANFUKWREG-DLBZAZTESA-N 302.418 2.288 0 40 DEAB Cc1ccc(O)c(CNc2ccccc2CN2CCNC2=O)n1 97051519 DNAPBDJPZRECHO-UHFFFAOYSA-N 312.373 2.233 0 40 DEAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)C(N)=O 6532034 ZDWJIHTVQDUDKL-SNVBAGLBSA-N 302.403 2.170 0 40 DEAB COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1 6641201 FGBCKOTUEAURJR-UHFFFAOYSA-N 317.297 2.360 0 40 DEAB C[n+]1c[c-](-c2nc(O)c3cc(C(C)(C)C)sc3n2)ccc1=O 97083499 VKUFCRXTYRXUTB-UHFFFAOYSA-N 315.398 2.265 0 40 DEAB CCc1ccc([C@H](C)NC(=O)NCCS(=O)(=O)CC)cc1 71794686 PYYDYCNBZUQRNQ-LBPRGKRZSA-N 312.435 2.044 0 40 DEAB C[C@H]1CC(C)(C)C[C@@](CO)(NCC(=O)NCc2ccco2)C1 80900674 BQQGJISXNFVIPM-GUYCJALGSA-N 308.422 2.063 0 40 DEAB CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 71896195 NZSMPLWRFONCLD-XOKHGSTOSA-N 318.417 2.443 0 40 DEAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cc(C)no1 8256438 UEWQSQCYGRQNFF-LLVKDONJSA-N 318.329 2.484 0 40 DEAB Cc1ccc(C[C@@H](C)NS(=O)(=O)C2CCOCC2)c(C)c1 71889159 SKWQHIOGRZQPSA-CQSZACIVSA-N 311.447 2.333 0 40 DEAB C[C@H](NC(=O)CNC(=O)CC1CCCCC1)c1ccncc1 69419114 IIEXPZNZBWIEEN-ZDUSSCGKSA-N 303.406 2.345 0 40 DEAB COC(=O)c1cccn2cc(CSc3nccn3C)nc12 71880028 FOWPOAIXAKTIHY-UHFFFAOYSA-N 302.359 2.147 0 40 DEAB CNC(=O)[C@@H]1CCCN1Cc1cccc(OCC(F)(F)F)c1 69519486 UNHJZXAFSXWMIA-ZDUSSCGKSA-N 316.323 2.338 0 40 DEAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCOC2)cc1OC 71834653 LYOQHKXQPVSHFH-ZIAGYGMSSA-N 305.374 2.404 0 40 DEAB CN1CCc2c(sc3ncn4nc(-c5cccnc5)nc4c23)C1 19996105 BZKGVQMNUPBFCK-UHFFFAOYSA-N 322.397 2.389 0 40 DEAB CCOc1ccc(C(=O)N2CCCC[C@@H]2Cn2cccn2)cn1 69970426 AXVZMMIEWRBANN-OAHLLOKOSA-N 314.389 2.372 0 40 DEAB Cc1cc(C)n2cc(CN3CCC[C@H]3Cn3cccn3)nc2n1 69917698 ZYXUWRAVWUOUMF-INIZCTEOSA-N 310.405 2.207 0 40 DEAB C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1nc2ccccc2s1 95361072 BETHBAWHUQYYFT-VHSXEESVSA-N 318.402 2.414 0 40 DEAB Cc1nnc2n1C[C@H](CNCc1ncc(C(C)(C)C)o1)CC2 95364967 LCAAAYYCKCIJSR-LBPRGKRZSA-N 303.410 2.224 0 40 DEAB O=C(Cc1ccc(O)cc1)N1C[C@H](O)C[C@@H]1C1CCCCC1 95445926 IZQFUKGWMJRUEZ-IAGOWNOFSA-N 303.402 2.477 0 40 DEAB CC(C)(C)N(CC(=O)Nc1ccc(F)cc1)C(=O)[C@H]1CCOC1 95941682 SVNPIYGGRPNBTL-LBPRGKRZSA-N 322.380 2.428 0 40 DEAB OC[C@H]1C=C[C@@H](Nc2ccc3nnc(-c4ccccc4)n3n2)C1 95963406 LCVIRZUVIRDRNW-GXTWGEPZSA-N 307.357 2.140 0 40 DEAB O=C(Cc1ccc(F)c(F)c1)N[C@H]1COc2ccccc2C1=O 95986921 AVVOEXWZGAQHRG-AWEZNQCLSA-N 317.291 2.267 0 40 DEAB CN(Cc1nccn1CC(F)(F)F)c1nc(C2CC2)no1 89364917 MTVLKQJFHMABOE-UHFFFAOYSA-N 301.272 2.342 0 40 DEAB O=C(CCCNC(=O)C1CC1)N[C@H]1CCOC2(CCCCC2)C1 89818518 GVOUGOTXEVWOSA-HNNXBMFYSA-N 322.449 2.291 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1ccc(C)nc1C)CC2 89986449 FYJBTESDVHDDKV-CVEARBPZSA-N 318.417 2.091 0 40 DEAB CCOc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)cn1 75572671 KDVCKGQSMVWOSC-AWEZNQCLSA-N 314.341 2.426 0 40 DEAB O=C(NC1CC(OCc2ccccc2)C1)c1cnn2cccnc12 547339015 QMSAKOYBJMDJEZ-UHFFFAOYSA-N 322.368 2.207 0 40 DEAB O=C(NC[C@@]12CNC[C@@]1(C(F)(F)F)C2)N1CCCCCC1 1551572442 XFECYJMWCJKUDZ-OLZOCXBDSA-N 305.344 2.114 0 40 DEAB Cc1cn(C2CCOCC2)nc1C(=O)NCc1ccc(C)n1C 1553447990 IJNZJLZVNRHPPZ-UHFFFAOYSA-N 316.405 2.120 0 40 DEAB NC(=O)c1ccccc1NC(=O)c1ccc(Cn2ccnc2)cc1 30946365 NJAKTWRGRZVZDY-UHFFFAOYSA-N 320.352 2.283 0 40 DEAB CN1CCN(C(=O)C[C@@H](c2ccsc2)n2cccc2)CC1 524734918 JAYXAEDAYCBJPP-HNNXBMFYSA-N 303.431 2.303 0 40 DEAB O=C(COC(=O)c1cc(F)ccc1F)NCCc1ccccc1 72334027 PLPSAPYUJJFBCB-UHFFFAOYSA-N 319.307 2.481 0 40 DEAB COc1cc(CNC(=O)NCc2cc(C(C)C)no2)ccn1 79349274 SLFLBKBYATYPLE-UHFFFAOYSA-N 304.350 2.201 0 40 DEAB C[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCN(CCc2ccccc2)C1 78405573 PEHVYWUFYDLGIJ-HYVNUMGLSA-N 301.434 2.259 0 40 DEAB Cc1sc(-n2cnnn2)c(C(=O)NC2CCCCC2)c1C 36357196 VHQQNPLKPVHKCS-UHFFFAOYSA-N 305.407 2.403 0 40 DEAB CC(C)N(Cc1ccccc1)C[C@H]1CCN(C(=O)[C@H](C)N)C1 79415524 RUNLXNSEGOWYKS-RDJZCZTQSA-N 303.450 2.093 0 40 DEAB CO[C@H]1CCC[C@H]1OC(=O)CN1C(=O)CSc2ccccc21 78985357 NKIVRMBHWTYBQQ-QWHCGFSZSA-N 321.398 2.236 0 40 DEAB O=C(O)c1sccc1NS(=O)(=O)c1ccc(F)cc1 38137734 CASGSTUQAISKTI-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCNC[C@H]1c1ccccc1 313347867 JJGUSMVNRAIXLX-HNNXBMFYSA-N 310.353 2.202 0 40 DEAB CCOc1ccc(NC(=O)c2ccnc(-n3cnnc3)c2)cc1 32646993 PYOVJMBNNAJAER-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB O=C(OCc1ccccc1)N(C[C@H]1CCCN1CCO)C1CC1 79411245 HSAXWQNGUQXTID-QGZVFWFLSA-N 318.417 2.244 0 40 DEAB CNC(=O)c1ccc(CS(=O)(=O)Cc2ccccc2C)o1 71116605 OIHKIAKYZFPXSH-UHFFFAOYSA-N 307.371 2.063 0 40 DEAB C[C@@H]1OCc2cc(=O)n(CC(=O)Nc3ccc(Cl)cc3)nc21 72342372 GRUIXQMOVVXBTJ-VIFPVBQESA-N 319.748 2.127 0 40 DEAB CCc1cc(N2CC[C@@]3(CCNC3)C2)nc(-c2ccncc2)n1 563696513 KREUKROHEWIGKH-GOSISDBHSA-N 309.417 2.291 0 40 DEAB CCC(=O)N1CCN(CCn2ccnc2-c2ccccc2)CC1 77158756 XPHSGDVXOYFRCZ-UHFFFAOYSA-N 312.417 2.104 0 40 DEAB CSCc1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 72240358 SHGCJJMIIADEHI-RYUDHWBXSA-N 315.460 2.348 0 40 DEAB O=C(O)CCc1cnc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O 223447510 IJZGRRNLLFDUSY-UHFFFAOYSA-N 312.247 2.473 0 40 DEAB CC1(C)CN(C(=O)c2ccc(N3CCCC3)nn2)CCS1 81927996 YEXBFYSCXAQRSB-UHFFFAOYSA-N 306.435 2.044 0 40 DEAB C[C@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1ccc(Cl)s1 135499181 FYHLBEBYJXRMQE-SCZZXKLOSA-N 309.840 2.341 0 40 DEAB CS(=O)(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 130038908 POHMFNFUBVFGBT-UHFFFAOYSA-N 303.746 2.095 0 40 DEAB COc1ccc(C2=NN[C@@H]3CC(C)(C)CC(=O)[C@@H]23)c(OC)c1 228922632 YNPYJMVXDQNMMS-DOMZBBRYSA-N 302.374 2.385 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1ccc2c(c1)OCC1(CC1)CO2 225363809 ZCSUNQQJXINOJQ-ZDUSSCGKSA-N 303.358 2.147 0 40 DEAB O=C(c1c(F)cccc1F)N1CCC(Oc2cnccn2)CC1 85557160 AUSKOCBJELDCBL-UHFFFAOYSA-N 319.311 2.438 0 40 DEAB COC(=O)c1csc(NC(=O)[C@@H](C2CC2)N2CCCC2)c1 97376287 QUIWCVFGGYCJDM-CYBMUJFWSA-N 308.403 2.348 0 40 DEAB O[C@H](CN1CCO[C@H](c2nccs2)C1)c1cccc(F)c1 97199964 VJIXDYXIGCJKOG-KGLIPLIRSA-N 308.378 2.389 0 40 DEAB c1cc(CN2CC[C@]3(C[C@@H](OCC4CCOCC4)CO3)C2)co1 96206274 NPWNGLBCVYDWAN-MSOLQXFVSA-N 321.417 2.456 0 40 DEAB CCN1CCOC[C@@]2(CCCN(C(=O)Cc3ccsc3)C2)C1 96228877 UJIQSACLCDOJQH-KRWDZBQOSA-N 322.474 2.252 0 40 DEAB Cc1cccc(C(=O)[C@](C)(Br)S(C)(=O)=O)c1 96518610 GUMOYROWMQTYDN-LLVKDONJSA-N 305.193 2.333 0 40 DEAB O=C(O)[C@H](Nc1nc(Cl)nc2[nH]cnc12)c1ccccc1 95479613 ZXKIODRNNOUGNB-MRVPVSSYSA-N 303.709 2.244 0 40 DEAB Cc1ccc(C(=O)N2CC[C@@]3(CCN3c3ncccn3)C2)cc1 96076164 YUEYHXAOUSUJDO-GOSISDBHSA-N 308.385 2.280 0 40 DEAB CN(C)Cc1cncc([C@@H]2CCCN2Cc2ccc(F)cn2)n1 257292738 QMTDDKDRFOPLSK-KRWDZBQOSA-N 315.396 2.409 0 40 DEAB Cc1c[nH]c([C@H]2CCN(C(=O)CCc3cc(Cl)no3)C2)n1 257321712 WCWKGRNCGORIRT-JTQLQIEISA-N 308.769 2.308 0 40 DEAB COCCN(Cc1ccoc1)S(=O)(=O)CCc1ccccc1 85474401 CWKAEWFSYFZVCM-UHFFFAOYSA-N 323.414 2.301 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@H](c2ccncn2)C1 257288353 PTWQLFMKWHZHAY-AWEZNQCLSA-N 317.414 2.353 0 40 DEAB CC(=O)N1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cccnc1 257334192 YEYARNAGIFOZGZ-HZPDHXFCSA-N 301.390 2.087 0 40 DEAB COC(=O)[C@H](O)C1CCN(CCSC2CCCCC2)CC1 252478812 AVKNCRUZMXWCGX-OAHLLOKOSA-N 315.479 2.298 0 40 DEAB CC1=CCC[C@H](C)[C@@H]1CNC[C@@H]([C@H]1CCOC1)N1CCOCC1 253369995 KVYFSADUAFVZAV-OKYOBFRVSA-N 322.493 2.306 0 40 DEAB COc1ccc(S(=O)(=O)Nc2n[nH]cc2SC)cc1F 390833086 BXTWOULVJABEDA-UHFFFAOYSA-N 317.367 2.080 0 40 DEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NC/C=C/c1ccccc1 72281525 MGBYZXDVCCSCTJ-NNBBXFQRSA-N 303.406 2.302 0 40 DEAB CC(C)Nc1cccc(CC2CCN(S(C)(=O)=O)CC2)n1 72364960 XTHNOCXIBSOOTA-UHFFFAOYSA-N 311.451 2.116 0 40 DEAB CCNC(=O)COc1ccc(CNC(CC)CC)cc1OC 72659159 NMIHJGZDOWHGRK-UHFFFAOYSA-N 308.422 2.488 0 40 DEAB COc1cc(OC)cc(N2CC[C@H](N(C)c3ncccn3)C2)c1 78996713 JSJPOXQAAQEKLO-ZDUSSCGKSA-N 314.389 2.209 0 40 DEAB CCCC[C@H](c1nnnn1CCC(C)C)N1CCN(C)CC1 19502137 YQDCQNMGIPUYKD-OAHLLOKOSA-N 308.474 2.198 0 40 DEAB CC(C)[C@@H](C)NC(=O)Cn1ccnc1[C@H](O)c1ccccc1 154861895 AUHHYEUNKCVVJP-CZUORRHYSA-N 301.390 2.126 0 40 DEAB CCOC(=O)CS[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 16899627 LLVDCURASQBTHW-ZDUSSCGKSA-N 321.398 2.232 0 40 DEAB N=c1nc(SCC(=O)N2CCc3ccccc32)ss1 4694022 GHDLKEOXVCGFGR-UHFFFAOYSA-N 309.441 2.365 0 40 DEAB COc1ccccc1N1CCN(c2ccn3nccc3n2)CC1 1888879282 VANZKRXLJHNLFD-UHFFFAOYSA-N 309.373 2.065 0 40 DEAB Cc1nnc2ccc(N3C[C@@H]4CN(c5ccccc5)C[C@@H]4C3)nn12 1888881867 YQEFGXDSXFJWRN-GASCZTMLSA-N 320.400 2.005 0 40 DEAB COC(=O)c1ccc(C)c(S(=O)(=O)N(C(C)C)C2CC2)c1 24688370 DODYQBKKUPTSEU-UHFFFAOYSA-N 311.403 2.343 0 40 DEAB COCCC(=O)N1CCC[C@@](COc2ccccc2)(OC)C1 2037905598 OCILNFYPTNFQPF-QGZVFWFLSA-N 307.390 2.110 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 41824085 OIAYWSZNODQORG-NEPJUHHUSA-N 305.403 2.429 0 40 DEAB O=C(NCc1cncc(C2CC2)c1)c1cnn(-c2ccccc2)n1 575619949 PNCAQNDGTNNNLI-UHFFFAOYSA-N 319.368 2.470 0 40 DEAB c1ccc(CNc2ncnc3c2ncn3C[C@H]2CCCO2)nc1 2298071705 USALXRNLDGZSNY-CYBMUJFWSA-N 310.361 2.012 0 40 DEAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc(Cl)c2c(c1)OCO2 40108183 YNEDEAOQHSHDCB-QWHCGFSZSA-N 322.792 2.425 0 40 DEAB CC1(C)C[C@H]2C[C@@](C)(CN2Cc2oc(CO)cc(=O)c2O)C1 100796544 YCAFKKRJYVISFP-APPDUMDISA-N 307.390 2.238 0 40 DEAB biogenic CCCc1nnc(NC(=O)[C@H]2COc3ccccc3O2)s1 115065 CICUNYFCJOBMAK-LLVKDONJSA-N 305.359 2.269 0 40 DEAB O=C(NCCCn1cccn1)[C@@H]1Cc2cc(Cl)ccc2O1 40504426 RRUDCBTYKMGDEL-AWEZNQCLSA-N 305.765 2.047 0 40 DEAB COC(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O 98430 JJDVFZFJPBPKMJ-UHFFFAOYSA-N 300.339 2.298 0 40 DEAB O=C(COC(=O)[C@@H]1COc2ccccc2O1)Nc1ccccc1 3497800 ZECYGKKNMGSEQQ-HNNXBMFYSA-N 313.309 2.008 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)O)C1 4089625 BXFWZVGFFUOJQF-NFAWXSAZSA-N 304.390 2.370 0 40 DEAB biogenic NC(=O)c1ccsc1NC(=O)c1coc2ccccc2c1=O 4275750 OGYNCFIGSDEPCK-UHFFFAOYSA-N 314.322 2.206 0 40 DEAB Cc1cc(SCC(=O)Nc2ccc(F)cc2F)nc(=O)[nH]1 4314710 NMGAOQKCHQPUBV-UHFFFAOYSA-N 311.313 2.087 0 40 DEAB CCOC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 6440700 GPTQCKFDSUTNLW-JTQLQIEISA-N 300.380 2.332 0 40 DEAB COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Cl 8106423 HZXHYMYYORVIHU-UQCOIBPSSA-N 314.128 2.104 0 40 DEAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C)c(O)c2)cc1 8705938 SBFMNGJFHIFUCM-UHFFFAOYSA-N 313.353 2.482 0 40 DEAB O=C(NCCn1nc(-c2ccco2)ccc1=O)C1CCCCC1 8954559 BGNNLKZBPAMIBO-UHFFFAOYSA-N 315.373 2.200 0 40 DEAB O=C(Nc1ccccc1)[C@H]1CCCN(c2ncnc3[nH]cnc23)C1 9060346 APKCSEJWDBPUFR-LBPRGKRZSA-N 322.372 2.208 0 40 DEAB Cc1cc(C)c(S(=O)(=O)NCc2c(C)nn(C)c2C)c(C)c1 9528560 QNOALLHDJUJIMO-UHFFFAOYSA-N 321.446 2.441 0 40 DEAB C[C@@H](Sc1nncn1C)C(=O)N1CCCc2ccccc21 10800170 IJBNRKQMCTWWOP-LLVKDONJSA-N 302.403 2.275 0 40 DEAB Cn1ccc(C(=O)Nc2nnc(CSc3ccccc3)o2)n1 13667626 LPEIWBONZXSFTR-UHFFFAOYSA-N 315.358 2.348 0 40 DEAB O=C(COCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1 13844840 ASFJDKFARANVOF-UHFFFAOYSA-N 310.781 2.308 0 40 DEAB COc1ccc(NC(=O)C[C@@](C)(O)C(F)(F)F)c(OC)c1 14241746 NNUOXJDISPWWJA-GFCCVEGCSA-N 307.268 2.346 0 40 DEAB NS(=O)(=O)c1ccc(CCNCc2cccc(Cl)c2)cc1 16398843 WMZYYGXBYVHGHL-UHFFFAOYSA-N 324.833 2.320 0 40 DEAB Cc1ccc(CNC(=O)[C@H](C)Sc2nnnn2C(C)C)cc1 16453730 BFFJMTACUYSBHC-LBPRGKRZSA-N 319.434 2.359 0 40 DEAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccco1 18208853 PZTCUWGYEQNDAY-LLVKDONJSA-N 307.371 2.483 0 40 DEAB CCc1noc(C)c1C(=O)NCC(=O)OCc1ccccc1 20906814 ZAMHLCWCRDTVFI-UHFFFAOYSA-N 302.330 2.019 0 40 DEAB CSc1nc(C)c(CCC(=O)Nc2ncccn2)c(C)n1 21211453 KMEXPCSKOAPPHU-UHFFFAOYSA-N 303.391 2.177 0 40 DEAB CN1CCN(C(=O)c2cc(C3CC3)nn2-c2ccccc2)CC1 23702201 KTQSQUWGABQCTN-UHFFFAOYSA-N 310.401 2.137 0 40 DEAB CCOC(=O)N1CCC(C(=O)n2cccc/c2=N\C(C)C)CC1 26492128 BIRUEXDWELYFQN-OBGWFSINSA-N 319.405 2.306 0 40 DEAB CCc1ccc(Nc2nc(NCCO)nc3c2ncn3C)cc1 26533009 JTJSOKJCJQNMMW-UHFFFAOYSA-N 312.377 2.074 0 40 DEAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)NC(=O)CO2 27794902 BSPNOCJPZBAAJL-UHFFFAOYSA-N 312.325 2.343 0 40 DEAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1 30865606 HVPSPCBZRMGITK-SNVBAGLBSA-N 323.418 2.439 0 40 DEAB CC[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1ccccc1OC 31617492 SXODAJUHNDADOO-CYBMUJFWSA-N 306.406 2.425 0 40 DEAB O=C1CN(C(=O)c2ccccc2CCc2ccccc2)CCN1 32732023 IWNOXDULJLHOKN-UHFFFAOYSA-N 308.381 2.044 0 40 DEAB CN(CC(=O)NCc1ccc(F)cc1)c1ccc(Cl)nn1 32795153 CZPLDYCOZSVHNA-UHFFFAOYSA-N 308.744 2.022 0 40 DEAB CC(=O)N[C@H](c1nccs1)C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 36719510 JBDHLLJUMXDGRW-SWHYSGLUSA-N 321.446 2.215 0 40 DEAB O=C(O)[C@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 37025812 DJQKBGSGOIKPQG-SNVBAGLBSA-N 316.126 2.277 0 40 DEAB O=C(N1CCCCC1)N1CCN(CCOc2ccccc2)CC1 40039710 QHRMHZLKJXUZGN-UHFFFAOYSA-N 317.433 2.289 0 40 DEAB C[C@H](NC(=O)CC(F)(F)F)c1ccc2c(c1)NC(=O)CO2 40090326 FTBGWBDUWSYSOS-ZETCQYMHSA-N 302.252 2.147 0 40 DEAB CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2Cl)C1 40597513 VQWVTCGETVHNLK-JTQLQIEISA-N 320.817 2.099 0 40 DEAB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)C2CC2)C1 47292585 GGJSHKZRKMHCAK-NSHDSACASA-N 307.781 2.322 0 40 DEAB CCOC(=O)CCC(=O)Nc1ccc(-c2nc(C)no2)cc1 49027261 IIUYPNKPGUORBY-UHFFFAOYSA-N 303.318 2.327 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)Cc1cccc(Br)c1 50039862 MHLHNTHGEXKXNR-NSHDSACASA-N 312.163 2.067 0 40 DEAB CONC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 52998131 GCZGKKBKFKEZCP-RNVIBTMRSA-N 322.792 2.412 0 40 DEAB CN(Cc1nnc2ccccn12)C(=O)c1ccc(F)cc1F 58343236 UNGSXPXDBJQYLB-UHFFFAOYSA-N 302.284 2.280 0 40 DEAB Cc1nc2n(c1C)CCN(CC(=O)N(C)Cc1ccsc1)C2 65575822 GKEMUWFNWYSBNZ-UHFFFAOYSA-N 318.446 2.036 0 40 DEAB CN1C[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1=O 67090900 CJNNKKCVFMGJKH-ZETCQYMHSA-N 304.243 2.261 0 40 DEAB Cc1ccccc1C[C@@H](C)NC(=O)Cn1nnnc1C(C)(C)C 68184471 XTCBHACSGJIKHR-CYBMUJFWSA-N 315.421 2.026 0 40 DEAB Cn1cnnc1-c1ccccc1NC(=O)[C@H]1Cc2ccccc2O1 68726944 YQYLDJWIRIMHDL-MRXNPFEDSA-N 320.352 2.424 0 40 DEAB Cn1cnnc1C1CCN(C(=O)[C@H]2CCc3ccccc32)CC1 69456827 CBWISIWEHDRFOY-INIZCTEOSA-N 310.401 2.251 0 40 DEAB CN(C(=O)c1cccc(C(=O)Nc2nc[nH]n2)c1)c1ccccc1 69588370 MKEPZFFJDDPEAS-UHFFFAOYSA-N 321.340 2.334 0 40 DEAB CCOc1ccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)cn1 69625900 QGVFUQRQCGPAJC-AWEZNQCLSA-N 300.362 2.191 0 40 DEAB Cc1ccccc1[C@@H]1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)C1 69737776 YCIOSKUEJVZUQD-LSDHHAIUSA-N 321.442 2.136 0 40 DEAB Cc1ccc(CCCC(=O)N2CCN(CC(C)(C)O)CC2)cc1 69772201 OZRZQVAOIBAKDM-UHFFFAOYSA-N 318.461 2.233 0 40 DEAB O=C(N[C@H](C(=O)Nc1cc[nH]n1)c1ccccc1)c1ccco1 69780313 GLIMEQOUFRUCIH-AWEZNQCLSA-N 310.313 2.113 0 40 DEAB c1cnnc(N2CCC[C@@H](NCc3nc4ccccc4o3)C2)c1 69872322 XEGHVJKIIMECLG-CYBMUJFWSA-N 309.373 2.376 0 40 DEAB CC[C@@H](CNC(=O)COc1nnc2ccccn12)c1ccccc1 71800039 ZGPLLWNXMXUMLS-AWEZNQCLSA-N 324.384 2.418 0 40 DEAB CC(C)(C)c1csc(CNC(=O)c2cn3cccnc3n2)n1 71856452 BUVVXAMAIJPJEH-UHFFFAOYSA-N 315.402 2.413 0 40 DEAB O=C(NC1CCSCC1)[C@@H]1CCCCN1Cc1cccnc1 71893319 KGXPEOARVOMYNH-INIZCTEOSA-N 319.474 2.448 0 40 DEAB C[C@H]1CCCC[C@H]1OCCNC(=O)N(C)CCn1cccn1 71897636 NMYQXSIGSWLIME-LSDHHAIUSA-N 308.426 2.120 0 40 DEAB Cc1cc(C)c(NC(=O)N[C@H]2CCCS(=O)(=O)C2)c(C)c1 71921977 PJYATQQXTADTGN-ZDUSSCGKSA-N 310.419 2.311 0 40 DEAB C[C@H](C1CC1)N(C(=O)CSc1ncnc2nc[nH]c12)C1CC1 72287755 VDTWVOHQHDJRSU-SECBINFHSA-N 317.418 2.235 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2nccc3ccccc23)no1 72330287 CKPMCTXDWQKVAV-UHFFFAOYSA-N 311.297 2.327 0 40 DEAB O=C(Nc1nnc(C(F)(F)F)s1)N(CCCCO)C1CC1 75094194 IZDNXINOVFFMKP-UHFFFAOYSA-N 324.328 2.326 0 40 DEAB CSC[C@@H](C)NC(=O)NC[C@H](c1ccsc1)N(C)C 76018048 VGNBGKSBYBBVQO-ZYHUDNBSSA-N 301.481 2.402 0 40 DEAB O=C1CCCN1c1ccc(S(=O)(=O)N[C@H]2CC=CCC2)cc1 76306521 DNOROSRNIIPRBQ-ZDUSSCGKSA-N 320.414 2.200 0 40 DEAB Cc1ccccc1CS(=O)(=O)c1nnc(N2CCCC2)s1 77536760 VYQDWQCBRAMFLM-UHFFFAOYSA-N 323.443 2.421 0 40 DEAB Cc1nc2c(s1)[C@H](N(C)C(=O)COC[C@H]1CCCO1)CCC2 79093004 LHOOQSOAISSWDC-TZMCWYRMSA-N 324.446 2.483 0 40 DEAB O=C(Nc1cccnc1)N[C@@H]1CCCN(c2ccccc2)C1=O 79349158 ZPRZNERRDXXPSX-OAHLLOKOSA-N 310.357 2.399 0 40 DEAB NCCN1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1 79391019 MKRPTTPEWYFPNN-QGZVFWFLSA-N 317.433 2.211 0 40 DEAB C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NCc1ncnn1C 80158419 CBRVOTDHOKBFFW-BONVTDFDSA-N 317.368 2.077 0 40 DEAB CC(=O)Nc1cc(NC(=O)N2CCCC[C@@H]2CO)ccc1C 84185589 ARKXXJFYSKTVNR-CQSZACIVSA-N 305.378 2.332 0 40 DEAB Cn1c(CCNC(=O)/C=C/c2ccccn2)nc2c(F)cccc21 84311237 HAGINAUSPDTUER-CMDGGOBGSA-N 324.359 2.480 0 40 DEAB CC[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1nc(C)n[nH]1 84979176 YZTMJAGNFWNLPC-KOLCDFICSA-N 305.407 2.256 0 40 DEAB Cc1cc(C)c(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c(=O)[nH]1 89568523 HAKNCTFXXATLKK-UKRRQHHQSA-N 314.385 2.234 0 40 DEAB CCc1nn(C)cc1C(=O)NCc1cccc2c1OCCCO2 92519335 SMYUMKCARBYJPQ-UHFFFAOYSA-N 315.373 2.074 0 40 DEAB Brc1cnc2c(c1)nc([C@H]1CCCO1)n2C[C@H]1CO1 95096489 FOXFPAJOSOHVHK-GXSJLCMTSA-N 324.178 2.444 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1cccc(F)c1)C2 96039033 IMLHXXXAILTRNP-SJLPKXTDSA-N 321.392 2.412 0 40 DEAB CC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12 96161042 QBPNBTBHBZVOMS-UHFFFAOYSA-N 316.376 2.462 0 40 DEAB Cc1ccc(CC(=O)N2CC[C@H]3[C@H]2CCN3c2ncccn2)cc1 96184827 TXZPXCQXKAZAAK-SJORKVTESA-N 322.412 2.207 0 40 DEAB COC[C@H]1CN(Cc2ccccn2)Cc2c1cnn2CC1CC1 96197920 ZFQIILDKANZOCD-OAHLLOKOSA-N 312.417 2.434 0 40 DEAB COC[C@@H]1CCC2(CCN(C(=O)c3cccc(C)n3)CC2)N1C 96208283 VWYLRUNOIGSZRN-HNNXBMFYSA-N 317.433 2.105 0 40 DEAB O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1nc2ccccc2[nH]1 96223891 ADYQQIBRUKNZBQ-HNNXBMFYSA-N 320.352 2.054 0 40 DEAB CCc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)o1 96403694 SICIIZFQSUDSME-LLVKDONJSA-N 310.419 2.272 0 40 DEAB Cc1ccc(F)c(O[C@H]2CCCN(c3cnn(C)c3)C2=O)c1 96428984 BVDQAYPLZZTAEO-AWEZNQCLSA-N 303.337 2.442 0 40 DEAB CC(C)[C@@H]1CN(C(=O)c2cccc(-n3cccn3)n2)CCS1 96432284 JZRZBZNLFGLICB-AWEZNQCLSA-N 316.430 2.481 0 40 DEAB Cn1cccc(NC(=O)N2CC[C@@H](Cc3ccccc3)C2)c1=O 96435157 YQZZAKLQSZGXJZ-HNNXBMFYSA-N 311.385 2.482 0 40 DEAB COC[C@H]1CN(C(=O)N[C@@H](C)c2cc(C)cc(C)c2)CCO1 96440003 BUPAXIXNMNIXBF-GOEBONIOSA-N 306.406 2.421 0 40 DEAB COC[C@@H]1CN(C(=O)NCc2oc3ccccc3c2C)CCO1 96440331 UFMHHBYIDOMTGB-ZDUSSCGKSA-N 318.373 2.298 0 40 DEAB CCC(CC)c1cc(CNC(=O)NCc2nccn2C)on1 96440539 ALIXXGKBZXKTAQ-UHFFFAOYSA-N 305.382 2.311 0 40 DEAB CN(C)C(=O)c1ccc(CNc2nnc(CC(C)(C)C)o2)[nH]1 97045492 MEHLINFYDROLOS-UHFFFAOYSA-N 305.382 2.300 0 40 DEAB CCCn1c(C)nnc1CSc1nnc(C(F)F)n1C 97370406 XARHULUSFNFYBL-UHFFFAOYSA-N 302.354 2.355 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC(C)(C)C1 100472680 GDYZQHMAUYZCAF-WCQYUDONSA-N 309.406 2.196 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1C 101211944 GKLQGBCMLNLWKC-MGBSGCIJSA-N 324.380 2.049 0 40 DEAB O=C(N[C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCCO1 106850266 PZLFVVLCHITRFG-BLLLJJGKSA-N 324.371 2.224 0 40 DEAB O=C(c1cc(F)c(F)cc1Br)N1CCC[C@H]1CO 133192612 MWGXNGNPPRXTNV-ZETCQYMHSA-N 320.133 2.324 0 40 DEAB CN(C)c1ncccc1NS(=O)(=O)c1c(F)cccc1F 187735104 TWCJCNLNRCORMD-UHFFFAOYSA-N 313.329 2.227 0 40 DEAB Cc1cc(CNC(=O)c2ccc(F)cc2F)nc(N(C)C)n1 189978147 VVWNHMSNKXFPTP-UHFFFAOYSA-N 306.316 2.059 0 40 DEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)[C@H]1C[C@@H]1C1CC1)[C@@H]3C2 195556302 VVHPJLSJGKUXMX-MPZWGZMNSA-N 323.458 2.399 0 40 DEAB COc1ccc(-c2ccc3nnc(C4CCNCC4)n3n2)cc1 217559587 UPBFICFEDQOGMU-UHFFFAOYSA-N 309.373 2.267 0 40 DEAB COC(=O)CS[C@H]1CCN(C(=O)CSC2CCCC2)C1 217564355 APDOFZIVVUWQDJ-LBPRGKRZSA-N 317.476 2.169 0 40 DEAB Cc1cc(C(=O)NC[C@@](O)(c2ccco2)c2cccs2)no1 225584694 DWEDPMSYWYXDPO-OAHLLOKOSA-N 318.354 2.303 0 40 DEAB Cc1nccn1C[C@@H]1CCCN1c1cc(NCC2CC2)ncn1 225597705 SNASJEHZJYDJGB-HNNXBMFYSA-N 312.421 2.472 0 40 DEAB Cc1nc(-c2cccc(C(F)(F)F)c2)[nH]c(=O)c1CC(=O)O 226100673 JYOXAQTUVLTQHD-UHFFFAOYSA-N 312.247 2.391 0 40 DEAB O=C(NC[C@H](c1ccco1)N1CCSCC1)c1ccco1 253406765 UWNPIAJSHQZAOK-GFCCVEGCSA-N 306.387 2.393 0 40 DEAB NCc1cnn(-c2ccccc2C(=O)NCc2ccccc2F)c1 257228548 FUGAGTAHQTYWMV-UHFFFAOYSA-N 324.359 2.400 0 40 DEAB O=C(c1cnc2ccccc2c1)N1CCO[C@@H](c2cnccn2)C1 257262470 LLMRGFMEBGXQIA-QGZVFWFLSA-N 320.352 2.239 0 40 DEAB Cc1cc(C)nc([C@]2(C)CCCN2C(=O)C2CCOCC2)n1 257272580 NCYGNFBIBDXMSU-KRWDZBQOSA-N 303.406 2.358 0 40 DEAB Cc1nccc(C[C@H]2COCCN(Cc3csc(C)n3)C2)n1 257299297 RPLXHJRDWWPBIJ-CQSZACIVSA-N 318.446 2.241 0 40 DEAB Cc1ccc2nc(C(=O)N3CCC[C@H]3c3ccncn3)cn2c1 257332177 XWCCZVVMSLIDCJ-HNNXBMFYSA-N 307.357 2.410 0 40 DEAB CCC(C)(C)C1CCC(NC(=O)C(=O)NC[C@H]2CCCO2)CC1 408707581 OUPRFAQWNPFEGG-YMAMQOFZSA-N 324.465 2.393 0 40 DEAB O=C(O)c1ccccc1-c1ccc([C@H]2NC[C@H](C(=O)O)S2)o1 408975331 AIZABBNEXDLDDS-OLZOCXBDSA-N 319.338 2.433 0 40 DEAB O=C(NC1CCN(c2ncnc3c2CCCC3)CC1)C1CCC1 575617847 XMTMQTJATFOXQG-UHFFFAOYSA-N 314.433 2.241 0 40 DEAB CNC(=O)C[C@@H]1CN(Cc2ccccc2Cl)Cc2ccnn21 585112561 RJNAQLRCUTYOOW-CQSZACIVSA-N 318.808 2.230 0 40 DEAB Cc1ccc(S(N)(=O)=O)cc1NCc1nc(C)c(C)s1 902616928 YSGZEAYIERZIKD-UHFFFAOYSA-N 311.432 2.328 0 40 DEAB CCCC[C@@H](CC)C(=O)N(C)CCN(C)C(=O)c1cocn1 1532901875 VRSAWXVJFXDJAN-CYBMUJFWSA-N 309.410 2.421 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)c1cc(Cl)nc(N)n1 24056463 QXIAOHOOGFIDKY-UHFFFAOYSA-N 306.753 2.120 0 40 DEAB C=Cc1ccc(NC(=O)CCn2cnc3c(N)ncnc32)cc1 1565908 PJUGSYROZVDTHX-UHFFFAOYSA-N 308.345 2.080 0 40 DEAB C[C@@H]1OCC[C@H]1N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 97038968 VTZGBBJFVHJVAG-CUOATXAZSA-N 312.772 2.351 0 40 DEAB CSc1nnc(C)n1NC(=O)COc1ccc(C)c(C)c1 107974581 HUMBZWCCMRUKAJ-UHFFFAOYSA-N 306.391 2.074 0 40 DEAB Cc1nc(CNC(=O)N[C@H](CO)c2ccccc2)c(C)s1 97048332 OIBAOXLHOIBHBO-CQSZACIVSA-N 305.403 2.293 0 40 DEAB COc1ccc(-c2noc(CN3C[C@@H](C)OC[C@@H]3C)n2)cc1 27644010 OIZGXDGIYAPFLM-NWDGAFQWSA-N 303.362 2.354 0 40 DEAB Cc1cc2ccccc2n1CC(=O)N[C@H](C(N)=O)c1ccccc1 10268473 CZQGRMVLLHUFPU-SFHVURJKSA-N 321.380 2.293 0 40 DEAB C[C@@H]1CN(C(=O)NCc2ccc(N3CCCCC3)nc2)CCO1 44968649 MBSYICVFXNVZPT-CQSZACIVSA-N 318.421 2.002 0 40 DEAB Cc1nccc(CNC(=O)[C@H]2CCCN2Cc2ccccc2)n1 58304779 QAJBYFMJHJBDFN-QGZVFWFLSA-N 310.401 2.066 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1F 58344123 GIDPQDSDEIFRSY-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB NC(=O)NC[C@@H]1CCCCN1CCOc1ccc(Cl)cc1 58391712 TVNZUGXSQOTTBG-ZDUSSCGKSA-N 311.813 2.242 0 40 DEAB O=C1N=C(O)C[C@H]1N(C(=O)c1cccn1C1CCCC1)C1CC1 97048226 NJFCIEAHSKLOMH-CQSZACIVSA-N 315.373 2.463 0 40 DEAB COc1ccccc1CN1CC[C@@H]2OCCN(CC3CC3)[C@H]2C1 108529353 HRMQYJMHOCUSME-HKUYNNGSSA-N 316.445 2.380 0 40 DEAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NC/C=C/c1ccccc1 72281524 MGBYZXDVCCSCTJ-GELOPOQCSA-N 303.406 2.302 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc3c(c2)OCO3)C1 12692106 ITWWQRHEVRHYCE-TXEJJXNPSA-N 319.357 2.077 0 40 DEAB CC(C)CCC[C@H](C)NC(=O)CCNc1ncnc2[nH]cnc12 12297039 DSBZQMUARGDACI-LBPRGKRZSA-N 318.425 2.486 0 40 DEAB biogenic Cc1nc(C)c(C(=O)Nc2cncnc2N2CCCC2)s1 97137830 CGJSPGBXPPAUHP-UHFFFAOYSA-N 303.391 2.402 0 40 DEAB COC(=O)COc1ccc(Br)cc1/C=C/C(=O)O 12394654 ZJKGAUYCGJSZNO-GORDUTHDSA-N 315.119 2.099 0 40 DEAB CNC(=O)C1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1 12334616 GTKUBBIKTRHHBZ-UHFFFAOYSA-N 317.364 2.439 0 40 DEAB CCc1cc(C(=O)OCc2cccc(-n3cccn3)c2)cc(=O)[nH]1 97112355 UZJRPEQEMSUQOC-UHFFFAOYSA-N 323.352 2.480 0 40 DEAB Cc1cc(NC(=O)CN[C@H](C)[C@@H]2COc3ccccc32)no1 97112656 IHWDAQDQJIKVRX-YPMHNXCESA-N 301.346 2.076 0 40 DEAB CCCn1cc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cn1 72303996 XFGOPUPYOTUTGW-LSDHHAIUSA-N 300.362 2.073 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccccc1Cl 48331982 VEAZYHNMMGJFAR-GFCCVEGCSA-N 324.808 2.097 0 40 DEAB CCCS(=O)(=O)[C@H](C)C(=O)Nc1cc(Cl)ccc1O 48925479 VVVDUXBLHADMFZ-MRVPVSSYSA-N 305.783 2.197 0 40 DEAB COc1ccc2c(CC(=O)N3CCC(C(=O)O)CC3)coc2c1 13167266 BPZHCJCKJUDVRB-UHFFFAOYSA-N 317.341 2.307 0 40 DEAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1 6017544 MSBNVBNEXQTGJU-UHFFFAOYSA-N 315.354 2.219 0 40 DEAB C[C@@H]1OP2(CN3CCOCC3)(O[C@@H]1C)O[C@H](C)[C@@H](C)O2 13756137 SONWGKSRPBOBEP-LPWJVIDDSA-N 307.327 2.137 0 40 DEAB CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCCc1ccc(Cl)cc1 6168245 JJXNHQHFZWUQCA-ZWNOBZJWSA-N 311.813 2.082 0 40 DEAB CCCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(O)c1 4369603 RDSBWPBXRVQTIY-CQSZACIVSA-N 314.345 2.226 0 40 DEAB Cc1cc(C)n2nc(SCc3ccc(C(N)=O)cc3)nc2n1 14137298 BULBUUKIADSPNJ-UHFFFAOYSA-N 313.386 2.132 0 40 DEAB Cn1cc([C@@H]2CCCN2Cc2nc(-c3cccnc3)no2)cn1 71799291 SAKOZRFOYWORCV-AWEZNQCLSA-N 310.361 2.202 0 40 DEAB COc1ccccc1COC(=O)c1ccc(S(C)(=O)=O)cc1 5620669 GDCIHDADTZMDKE-UHFFFAOYSA-N 320.366 2.456 0 40 DEAB COC(=O)C(C)(C)NS(=O)(=O)/C=C/c1ccccc1Cl 66909994 AEKHNANKNGWXLJ-CMDGGOBGSA-N 317.794 2.182 0 40 DEAB c1ccc(-c2ccn(CN3CCN(c4cnccn4)CC3)n2)cc1 71890216 PVCCJFRVMCJSDL-UHFFFAOYSA-N 320.400 2.120 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)n1cc(Br)cn1 28224437 YWJAYXGDUREXHN-LURJTMIESA-N 301.169 2.302 0 40 DEAB CCCc1cc(=O)[nH]c(SCC(=O)N(C(C)C)C(C)C)n1 16035530 AUXJEKBOSLOKAC-UHFFFAOYSA-N 311.451 2.460 0 40 DEAB Cc1nc(CN(C)C[C@H]2CCCN2c2cccnn2)oc1C 71860058 MGWASJMRUYPOCB-CQSZACIVSA-N 301.394 2.182 0 40 DEAB Cc1ccc(C(=O)NCCCc2ccc(N(C)C)cc2)c(=O)[nH]1 71941622 PWCBRMPFKRBVHZ-UHFFFAOYSA-N 313.401 2.112 0 40 DEAB O=C(CN1CCSC[C@H]1c1ccccc1)NC[C@@H]1CCCO1 71909232 DZFGRSQQKOWREZ-HOTGVXAUSA-N 320.458 2.072 0 40 DEAB O=C1C[C@H](C(=O)N2CCC[C@H](n3cccn3)C2)c2ccccc2N1 69347375 KDCCWKKSGCFPDJ-ZFWWWQNUSA-N 324.384 2.173 0 40 DEAB CNC(=O)CNc1nc2c(Cl)c(C)nn2c2ccccc12 9602668 RFLOHXOKKJIODN-UHFFFAOYSA-N 303.753 2.002 0 40 DEAB COC[C@H](C)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 69594129 LMQRKTAJOXFFIZ-BFHYXJOUSA-N 321.421 2.457 0 40 DEAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1ccc(C)nc1 69872152 LDSAASRJMSNETF-IRXDYDNUSA-N 301.434 2.408 0 40 DEAB CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)[C@@H]1CCCO1 69873696 NNCFWGUXCOSYGQ-OLZOCXBDSA-N 314.426 2.221 0 40 DEAB CN(CCOc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 95377489 UJPBWCPSBBNTKJ-HNNXBMFYSA-N 319.426 2.338 0 40 DEAB O=C(NCCCF)Nc1ccc2nc(N3CCOCC3)oc2c1 95441708 RCENVXASFATEPX-UHFFFAOYSA-N 322.340 2.146 0 40 DEAB CN(CCC(=O)NC1CC1)C(=O)c1ccc2[nH]c(=S)oc2c1 73591627 GPSZGXDHBYXIQW-UHFFFAOYSA-N 319.386 2.231 0 40 DEAB O=C(/C=C/c1cccc(Cl)c1)N1CCOC[C@H]1c1ncon1 95981419 FNTVAULSBJJVNK-IHVVCDCBSA-N 319.748 2.336 0 40 DEAB CC(C)Oc1ccc(CNc2ccc(C(N)=O)nn2)cc1F 75049950 UFEAXUSBCAITIH-UHFFFAOYSA-N 304.325 2.114 0 40 DEAB Cc1csc([C@H](NC(=O)N(CCO)CC2CC2)C2CC2)n1 89705367 VXGSQIDYCLJSRI-CYBMUJFWSA-N 309.435 2.317 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)c2c(C)nn3cccnc23)C12CCC2 89985815 YUGCMUIFBUFDRX-OLZOCXBDSA-N 314.389 2.115 0 40 DEAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3nnn[nH]3)C2)C1(C)C 89914090 OMTYEWHOQIZKRS-YNEHKIRRSA-N 303.410 2.144 0 40 DEAB O=C(N[C@H](Cc1nc[nH]n1)c1ccccc1)c1ncoc1C1CC1 551882635 QSMKPWUXSQTWOV-CYBMUJFWSA-N 323.356 2.384 0 40 DEAB Cc1ccc(N2CCN(C[C@H](O)COC(C)(C)C)CC2)cc1 26893790 KAZXIGOHPPEACK-KRWDZBQOSA-N 306.450 2.293 0 40 DEAB CCCCn1nnc(NC(=O)COc2cc(C)cc(C)c2)n1 33774868 OPKBNMOKMSRABS-UHFFFAOYSA-N 303.366 2.108 0 40 DEAB CCCC[C@@H](C)C(=O)N[C@@H]1CCN(C(=O)CC[C@@H]2CCOC2)C1 1523016870 OFICLMJOECVIBE-BZUAXINKSA-N 324.465 2.347 0 40 DEAB CCOc1cc(N2CCC[C@@H](c3nnc4ccccn34)C2)ncn1 120873298 CVJCQTWXQOCGPJ-CYBMUJFWSA-N 324.388 2.302 0 40 DEAB CC(C)(C)C(=O)N1CCC(n2nc(C3CC3)ccc2=O)CC1 72335437 APZBMDJOKMGNQM-UHFFFAOYSA-N 303.406 2.330 0 40 DEAB O=C([C@@H]1COc2ccccc2O1)N1CCSc2ncccc21 72295973 LVGWCOXFNBAFEI-AWEZNQCLSA-N 314.366 2.360 0 40 DEAB O=C(COc1ccccc1C(F)(F)F)N1CCC(O)CC1 75891530 MGGAIXIPLHGQPZ-UHFFFAOYSA-N 303.280 2.068 0 40 DEAB Nn1c(SCCc2ccccc2)nnc1C1CCOCC1 79038322 MHZQCMRFZNVVGN-UHFFFAOYSA-N 304.419 2.221 0 40 DEAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccc2c(c1)OCO2 72242517 ICZVFIHJJWTAGG-AWEZNQCLSA-N 311.341 2.321 0 40 DEAB C[C@@H](c1ccccc1)N1CCN(c2ccnc(N(C)C)n2)CC1 134080331 VHJYVXNJGSMCRP-HNNXBMFYSA-N 311.433 2.426 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 44901222 QLEIBOUDPYGLPR-LBPRGKRZSA-N 310.419 2.199 0 40 DEAB O=C(C1CCN(c2ncccn2)CC1)N1CCc2ccccc2C1 44407181 CEUCQUQTNCCFMD-UHFFFAOYSA-N 322.412 2.278 0 40 DEAB COc1cccc(-c2nc(C)c(C(=O)NCCC(=O)O)s2)c1 40267467 LNZIEMSWDIDZRP-UHFFFAOYSA-N 320.370 2.332 0 40 DEAB COc1c(NS(=O)(=O)c2ccc(C)cc2C)c(C)nn1C 96407104 JEMSCJUSGZSAKG-UHFFFAOYSA-N 309.391 2.155 0 40 DEAB Cn1nnnc1S[C@H]1CCCN(c2ccccc2Cl)C1=O 96422203 ZYFCCWKQBCYMLR-NSHDSACASA-N 323.809 2.151 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCC2(CCCN(c3ncccn3)C2)CC1 96158551 BVUKLFIPJGBJPR-GJZGRUSLSA-N 314.433 2.342 0 40 DEAB CC(C)(C)c1ccc(C(=O)O[C@@H]2CCS(=O)(=O)C2)s1 97228230 WMWOJPLNOSNPOI-SECBINFHSA-N 302.417 2.390 0 40 DEAB O=S(=O)(C[C@H]1CCCO1)c1cccc(Br)c1 96403779 PGVBRAAAIBBQAN-SNVBAGLBSA-N 305.193 2.402 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccccc3F)[C@H]2C1 96244911 PIBSHVHNHUARQF-WFASDCNBSA-N 317.389 2.239 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 96419786 YNKBEPPADOZUBF-ZNMIVQPWSA-N 309.431 2.429 0 40 DEAB Cc1ccccc1CN(C)C(=O)NCCOC[C@H]1CCCO1 96406906 JCWYOTMIEGKJHE-MRXNPFEDSA-N 306.406 2.332 0 40 DEAB CN(C)CCCNC(=O)[C@]1(C)CC(c2ccccc2Cl)=NO1 96192882 OETDHHJWYOPLGP-INIZCTEOSA-N 323.824 2.291 0 40 DEAB C[C@@H](C(=O)Nc1nccs1)N1CCO[C@H](c2nccs2)C1 97199829 FUPBFCQMGPIJMY-UWVGGRQHSA-N 324.431 2.000 0 40 DEAB CNc1cc(C)nc([C@H]2CCN(C3CCN(C(C)=O)CC3)C2)c1 257335589 YKXXENJNKSFGQZ-HNNXBMFYSA-N 316.449 2.232 0 40 DEAB Cc1nccc(N2CCC[C@@H]2c2ncc(C(=O)N(C)C)s2)n1 257249379 JIAAHZKBZMJKPM-LLVKDONJSA-N 317.418 2.285 0 40 DEAB COCCC(=O)N1CCC[C@@H]1c1cn2cccc2c(N(C)C)n1 257319143 VQYLGFXLKQVIIE-CQSZACIVSA-N 316.405 2.100 0 40 DEAB Cn1cc([C@H](NC(=O)c2ccnc(C(=O)O)c2)C(C)(C)C)cn1 262450647 WHDLDTRLHFITNH-ZDUSSCGKSA-N 316.361 2.031 0 40 DEAB CC(C)C(=O)N1Cc2cccn2C[C@@H](OCc2cccnc2)C1 575406311 WPLNMHHNUGTKSY-QGZVFWFLSA-N 313.401 2.467 0 40 DEAB O=C(N1CC2(C[C@H](Oc3cccnc3)CS2)C1)C1(F)CCC1 575406543 YUUQCBTUHIKFFI-ZDUSSCGKSA-N 322.405 2.439 0 40 DEAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cnn(C)c1C 41976872 MMROXMLWCOBSSH-UHFFFAOYSA-N 315.373 2.162 0 40 DEAB c1cnc2nc(Sc3nnc(CN4CCCC4)o3)ccc2n1 95395420 FLUSAAMCLJPTKQ-UHFFFAOYSA-N 314.374 2.155 0 40 DEAB COC[C@@H]1CCCN(Cc2nnnn2-c2c(C)cccc2C)C1 96405953 IVIDOOUBWFHEJV-OAHLLOKOSA-N 315.421 2.138 0 40 DEAB C[C@H](CNC(=O)c1ccc(Br)cc1O)C[C@@H](C)O 81796322 QTVKAFRXUWTTJO-DTWKUNHWSA-N 316.195 2.292 0 40 DEAB CON(C)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 11594832 IFXHSKSXMKGTLH-JTQLQIEISA-N 300.767 2.163 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1ccccn1 12154843 RXKUTPWADUDXEN-DOMZBBRYSA-N 319.368 2.335 0 40 DEAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)C(C)(C)C 12276211 OWGUDWZIHBMHSF-CYBMUJFWSA-N 301.390 2.337 0 40 DEAB Cc1cc(Br)cc(C(=O)OC[C@@H]2CCC(=O)N2)c1 155354987 CYYVQBADPSGMAY-NSHDSACASA-N 312.163 2.193 0 40 DEAB C[C@H]1CCCCN1CC(=O)Nc1ccc(N2CCOCC2)cc1 2630554 IZMNPAAYEOHJJJ-HNNXBMFYSA-N 317.433 2.336 0 40 DEAB Cc1cnc(OC[C@]23CCC[C@H]2CN(C(=O)C(C)C)C3)nc1 1888856763 CXLJQAAIKPKEKF-WMLDXEAASA-N 303.406 2.449 0 40 DEAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(CC(=O)NC2CCCC2)C1 2087064906 YBQSTTHZGYLNJH-HNNXBMFYSA-N 323.481 2.014 0 40 DEAB O=C(Nc1ccc2c(c1)OCO2)C(=O)NC1CCCCCC1 5250945 JMWXONWPFMIGDR-UHFFFAOYSA-N 304.346 2.193 0 40 DEAB Cc1cccc(S(=O)(=O)NC[C@@H](c2ccco2)N(C)C)c1 10088800 GDMVBQLHHJYRFA-AWEZNQCLSA-N 308.403 2.169 0 40 DEAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1ccncc1 11769207 XKWJDKAEKBAIAS-UHFFFAOYSA-N 314.370 2.329 0 40 DEAB CC(C)N1CCC(CNS(=O)(=O)CCc2ccccc2)CC1 12441454 NVJGNOZZXPKNHT-UHFFFAOYSA-N 324.490 2.269 0 40 DEAB Cc1cc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)n(C)n1 13614597 FHLDYVDATFDCSB-AATRIKPKSA-N 315.358 2.492 0 40 DEAB O=S(=O)(NC[C@H](O)c1ccc(-c2cccs2)o1)C1CC1 1775967128 GSTBKEMZXYDNJX-JTQLQIEISA-N 313.400 2.123 0 40 DEAB Cc1nc2ccccc2c(=O)n1C[C@H](O)COc1ccccc1 31560735 SBIHWWNNHJQARM-AWEZNQCLSA-N 310.353 2.145 0 40 DEAB Cc1nccn1-c1cc(CNC(=O)[C@@H](C)OCC(C)C)ccn1 40535036 OSLBFGIINJFLNR-CYBMUJFWSA-N 316.405 2.253 0 40 DEAB CCN1CCc2nc(NC(=O)c3cc(C(C)=O)c[nH]3)sc2C1 21296157 LPACGHBIFMRBQJ-UHFFFAOYSA-N 318.402 2.304 0 40 DEAB COc1cc(NS(=O)(=O)c2ccccc2)c(OC)cc1N 345479 QWURMEYNWARLJA-UHFFFAOYSA-N 308.359 2.087 0 40 DEAB CCC(=O)N[C@@H](CC(=O)O)c1cccc(Br)c1 41507282 YDURHXZODNNQBG-JTQLQIEISA-N 300.152 2.491 0 40 DEAB O=C(N[C@@H]1CCc2ccccc21)c1ccnc(-n2cncn2)c1 53792427 XUQUUZUSAQDPRS-OAHLLOKOSA-N 305.341 2.080 0 40 DEAB Brc1cncc(NCCOC[C@@H]2CCCO2)c1 78262245 HNAMPGWWHXVMKU-LBPRGKRZSA-N 301.184 2.452 0 40 DEAB Cc1oc(C(=O)O)cc1S(=O)(=O)N1CCc2ccccc21 55311122 MPQILVVQRNBKCS-UHFFFAOYSA-N 307.327 2.038 0 40 DEAB NC(=O)NC(=O)CCN1Cc2ccccc2[C@H](c2ccccc2)C1 25458902 JAQBAKZRLQANFP-KRWDZBQOSA-N 323.396 2.219 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC2(CC1)OCCO2 56403422 OKIWVYPITFJCJI-UHFFFAOYSA-N 314.385 2.498 0 40 DEAB CCOc1ccccc1N1C[C@@H](C(=O)NC(C)(C)C)CC1=O 6784554 CFDVXIXXNJMJOU-LBPRGKRZSA-N 304.390 2.353 0 40 DEAB CN(C)[C@@H](CNC(=O)c1ccc2c(c1)OCO2)c1ccco1 6937303 LGWMPXMCTAMBEC-LBPRGKRZSA-N 302.330 2.041 0 40 DEAB Cc1cc(=O)oc2c3c(ccc12)OCN(C[C@@H]1CCCO1)C3 57140317 DUEHNRHVJATWEJ-LBPRGKRZSA-N 301.342 2.432 0 40 DEAB COC(=O)c1sc(N2[C@H]3CC[C@H]2CC(O)C3)nc1Cl 107928502 YFGORNZCDXXJHR-BQBZGAKWSA-N 302.783 2.075 0 40 DEAB CN(Cc1cccc(C(N)=O)c1)C(=O)c1ccc(NC2CC2)nc1 57249352 ZLHWVUINIKOJJK-UHFFFAOYSA-N 324.384 2.027 0 40 DEAB 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2.301 0 40 DEAB C[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCO1 44912033 UTZBFUXKUVLZLG-ONGXEEELSA-N 318.295 2.320 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2nncn2C)cc1F 45102342 GDOMJWKSAFRHMZ-ZJUUUORDSA-N 321.356 2.084 0 40 DEAB Cc1ccsc1C(=O)NC1CCN(c2ncccn2)CC1 36390683 HEFFCTSNOOGSMO-UHFFFAOYSA-N 302.403 2.245 0 40 DEAB Cc1nc2sccc2c(=O)n1NC(=O)c1ccccc1F 11176843 FNQFTMWKEWJYGS-UHFFFAOYSA-N 303.318 2.289 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(F)c(Cl)c1 2616620 LACGSTSCHBQDGW-SNVBAGLBSA-N 319.789 2.208 0 40 DEAB COC(=O)N1[C@H]2C=CC=C[C@H]1[C@H]1C=C[C@@H]2C=CN1C(=O)OC 101042613 LHTMCOCGMAIDGL-RQJABVFESA-N 302.330 2.068 0 40 DEAB COC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 48383584 XDPGXURONKARCL-MNOVXSKESA-N 321.304 2.218 0 40 DEAB O=c1cc(COc2ncnc3sccc23)nc2sccn12 3496975 MGPOEKDFYIWTIH-UHFFFAOYSA-N 316.367 2.340 0 40 DEAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2N)c1 3484411 ZHUMFWCLRBVWQA-UHFFFAOYSA-N 317.418 2.217 0 40 DEAB Cc1cc(NC(=O)COc2ccccc2)cc(C(=O)O)c1O 20143720 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DEAB Cc1cnc([C@@H](C)CNC(=O)NC[C@H]2CCCN(C)C2)s1 97110247 FXALFNHBFRTDIY-WCQYABFASA-N 310.467 2.196 0 40 DEAB COc1cccc(CC(C)(C)NC(=O)c2cc(OC)no2)c1 97108278 XFHDRUFJJLYWJG-UHFFFAOYSA-N 304.346 2.443 0 40 DEAB CCS(=O)(=O)N(C)CCCNc1nccc2oc(C)cc12 97144466 LSBVPBZTFXBWPX-UHFFFAOYSA-N 311.407 2.220 0 40 DEAB COc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)cc1 72330211 HVYKYOHIVILVTM-UHFFFAOYSA-N 300.314 2.194 0 40 DEAB C[C@@H](Nc1ccc(N2CCOCC2)cn1)C1CCN(C)CC1 95990576 UGSNCPJVYXFCSI-CQSZACIVSA-N 304.438 2.060 0 40 DEAB CCc1noc(CN(C)C(=O)Cc2ccc(OC)cc2Cl)n1 89290053 RTNTZZPTZKTDCR-UHFFFAOYSA-N 323.780 2.495 0 40 DEAB C[C@H](NC(=O)N1CCC[C@@H]1CO)c1cccc(-n2ccnc2)c1 74876227 VTSNHPVTOFITNH-XJKSGUPXSA-N 314.389 2.100 0 40 DEAB CN(C[C@@H]1CCCN(CCn2ccnc2)C1)C(=O)OC(C)(C)C 89661712 HLYWCOARAWPEOX-HNNXBMFYSA-N 322.453 2.462 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(N2CC[C@]3(CCOC3)C2)cn1 89694366 OXDKHWLJTAWGDE-INIZCTEOSA-N 324.446 2.271 0 40 DEAB Cc1cc(=O)c(C(=O)N2CCO[C@H](c3ccccc3C)C2)c[nH]1 89689299 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2.144 0 40 DEAB COCCN1CCC2(CCN(c3cccc(F)c3)CC2)C1=O 96062935 FXWAMAGIPCHLHE-UHFFFAOYSA-N 306.381 2.291 0 40 DEAB Cc1nc(CCCNC(=O)C(C)(C)c2cccc(F)c2)n[nH]1 96452921 RJNQPIFUPZUNFW-UHFFFAOYSA-N 304.369 2.279 0 40 DEAB COC[C@@H]1CC[C@H]2[C@H](CCN2C(=O)Cc2cccc(OC)c2)O1 96186038 PVYRACYBNRTVPF-ULQDDVLXSA-N 319.401 2.033 0 40 DEAB O=C(N1CCCC1)N1CCC2(CC1)CO[C@H](COCC1CC1)C2 96106033 UQRFCRRZPAAIHY-INIZCTEOSA-N 322.449 2.500 0 40 DEAB Cc1noc(C)c1CN1CCC[C@@]2(CCN([C@H]3CCOC3)C2)C1 251983992 GSXODXBUVBCPIB-FUHWJXTLSA-N 319.449 2.368 0 40 DEAB CN1CCC(N[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CC1 585289231 OGQIKCXUVNYKFR-RCCFBDPRSA-N 304.434 2.031 0 40 DEAB Cc1ccc2c(C)c(C(=O)N(C)[C@@H]3CCC[C@@H](O)[C@@H]3O)oc2c1 585269155 QNMKYOOGVQXATK-IIAWOOMASA-N 317.385 2.396 0 40 DEAB CCc1nc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)no1 72299353 MRZMMNZWMCEMAC-LBPRGKRZSA-N 304.350 2.143 0 40 DEAB O=C(CSCc1cccnc1)Nc1ccc2oc(=O)[nH]c2c1 53443722 WMIYYXFGOJKKRP-UHFFFAOYSA-N 315.354 2.388 0 40 DEAB 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307.300 2.359 0 40 DEAB CN(C)C(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1 32768263 LPIJNWORIYHIQF-INIZCTEOSA-N 310.353 2.331 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102837898 VNWXHMFOBBEDBR-IGJVIKARSA-N 311.451 2.140 0 40 DEAB CCOc1ccc(OCC)c(NC(=O)C(=O)NC[C@@H]2C[C@@H]2C)c1 42054517 JZFPFJLENWFKOH-RYUDHWBXSA-N 320.389 2.195 0 40 DEAB C[C@H](NC(=O)CCSCC(N)=O)c1cc2ccccc2o1 23082238 CDZFFSQUADYMHU-JTQLQIEISA-N 306.387 2.219 0 40 DEAB COc1ccccc1[C@H](NC(=O)C1CCC1)c1noc(C)n1 70982505 GFNOBCOSZCSTTD-AWEZNQCLSA-N 301.346 2.392 0 40 DEAB O=C(NC[C@@H]1CCOC1)NC[C@H](c1ccco1)N1CCCCC1 47778204 WUYIBTRQFNOTJA-LSDHHAIUSA-N 321.421 2.142 0 40 DEAB O=C(NCCC(=O)N(Cc1ccncc1)C1CC1)C1CCCC1 47840634 MSHCNIJLPDMSQJ-UHFFFAOYSA-N 315.417 2.269 0 40 DEAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NCc1ccc(Cl)o1 78898726 IFTZZVKSCDJEBZ-JQWIXIFHSA-N 320.842 2.083 0 40 DEAB Cc1nccc(CNC(=O)NCCc2ccc(F)cc2C)n1 79069153 IGIYRFJTSQHMQI-UHFFFAOYSA-N 302.353 2.274 0 40 DEAB 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1579288475 QPPVLDHLYUANIY-GTNSWQLSSA-N 300.358 2.395 0 40 DEAB Cc1cc(F)ccc1NC(=O)C(=O)NCCc1ccccc1 42646225 DGPWQIGGEYNEDA-UHFFFAOYSA-N 300.333 2.432 0 40 DEAB Cc1n[nH]c(C)c1CC(=O)N[C@H](C)[C@@H](O)c1ccc(F)c(F)c1 225543543 XHJBNBXPAZRFOX-QLJPJBMISA-N 323.343 2.086 0 40 DEAB Cn1cnnc1CN[C@H]1CCCC[C@H]1OCc1ccccc1 195570311 QCKFDPOZDSNOCH-JKSUJKDBSA-N 300.406 2.433 0 40 DEAB O=C(Nc1cc2c(nc1O)CCCC2)[C@@H]1NCC12CCCC2 1580761749 ZQSSTGCMYLVDEY-AWEZNQCLSA-N 301.390 2.137 0 40 DEAB Cn1ccnc1CN1CC[C@@]2(CCN(c3ccsc3)C2=O)C1 96159539 DMCAAEYZOYQDTP-MRXNPFEDSA-N 316.430 2.111 0 40 DEAB O=C1NC2(CCN(Cc3ccccn3)CC2)C[C@@H]1c1cccnc1 96061384 KOGCLEPHMLSGEQ-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB CC(C)CN1CC[C@@H]2[C@@H]1CCN2S(=O)(=O)c1cccs1 96184281 BFPGFQDWCSHIEG-QWHCGFSZSA-N 314.476 2.241 0 40 DEAB O=C(CC1CC1)N1CCC2(CC1)C[C@H](Oc1cccnc1)CO2 96221758 FBKYXOJNHPXXIW-INIZCTEOSA-N 316.401 2.411 0 40 DEAB COC(=O)C[C@H](c1ccccc1)c1c(O)nc2ccccn2c1=O 96116605 UOOSTIJEBHIQSA-CYBMUJFWSA-N 324.336 2.095 0 40 DEAB O=S1(=O)CCCC[C@H]1CNCc1cc(F)cc2cccnc12 542312288 YAKVNMSMYLAGNW-HNNXBMFYSA-N 322.405 2.431 0 40 DEAB CC(=O)N1CCN(C(=O)c2cscn2)C[C@@H]1c1ccccc1 257261890 LJFJUEUGXVYOML-OAHLLOKOSA-N 315.398 2.189 0 40 DEAB O=C(Cc1cccc(Cl)c1)N1CC[C@@]2(CCCO2)[C@@H](O)C1 257257494 KPWACPGGFNBNIL-HOCLYGCPSA-N 309.793 2.025 0 40 DEAB Cc1cncc([C@@H]2CCCN2C(=O)CCc2cn(C)nc2C)n1 257297131 RFZXISIWBQFTGB-INIZCTEOSA-N 313.405 2.123 0 40 DEAB C[C@H]1C[C@@H](C)CN(CC(=O)N2[C@H]3CC[C@H]2c2snnc2C3)C1 253601148 KMRWQXZVBAYQMT-OPDFLTKYSA-N 320.462 2.104 0 40 DEAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3cnc(C4CC4)nc3)C2)n1 257225266 FFNNIPSQFUCKRF-AWEZNQCLSA-N 323.400 2.391 0 40 DEAB Cc1cn(C)c([C@H]2CN(C(=O)c3ccccc3F)CCO2)n1 257292030 QJQUSFPTBBFNRK-CQSZACIVSA-N 303.337 2.081 0 40 DEAB COCCN1CCC[C@H](c2cc(-c3ccnn3C)nc(C)n2)C1 257339701 ZCVLQWFAPYLGRN-AWEZNQCLSA-N 315.421 2.011 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](Cc3ccn[nH]3)C2)cc1 257235816 GZPXHIXZYVOFLM-CQSZACIVSA-N 319.430 2.362 0 40 DEAB Cc1c[nH]c([C@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 257202470 ALYUVIDSYIAKSR-NSHDSACASA-N 311.432 2.348 0 40 DEAB CC(C)c1nn(C)cc1NC(=O)[C@@H](C)OC[C@H]1CCCCO1 280261136 PPBKDGWWHAUTHM-CHWSQXEVSA-N 309.410 2.456 0 40 DEAB O=C(NCc1cncc(-c2ccco2)c1)NC1CCOCC1 575606883 GHVYROWWXMBKBZ-UHFFFAOYSA-N 301.346 2.320 0 40 DEAB O=C1CC[C@@]2(CCCN(C(=O)CCOc3cccc(F)c3)C2)O1 585282282 CQZJBATYKVLATC-QGZVFWFLSA-N 321.348 2.293 0 40 DEAB Cc1cc(N2CCC(N(C)C(=O)[C@@H]3C[C@H]3C)CC2)nc(C)n1 69843514 RHQNHEVSXBTZOR-IAQYHMDHSA-N 302.422 2.177 0 40 DEAB Cn1c(=O)n(CC(=O)N2CC[C@@H]2c2ccccc2)c2ccccc21 45787632 WHJRWJAGNVXTKD-OAHLLOKOSA-N 321.380 2.314 0 40 DEAB COC(=O)CCCCCCNC(=O)c1n[nH]c2ccccc12 40040494 KMYSSSJJJMAKBO-UHFFFAOYSA-N 303.362 2.416 0 40 DEAB CC(=O)N1CCCN(C(=O)C2(c3cc(C)cc(C)c3)CC2)CC1 55094094 UHNCLJIKYDWIFT-UHFFFAOYSA-N 314.429 2.416 0 40 DEAB CN(C)C(=O)C[C@@H](NC(=O)Nc1nccs1)c1ccccc1 58049486 NNBNSSKLJXNZEF-GFCCVEGCSA-N 318.402 2.484 0 40 DEAB CC[C@@](C)(CO)CNS(=O)(=O)c1c(F)cccc1Cl 97147195 YVKXWUFOUFHLDE-GFCCVEGCSA-N 309.790 2.166 0 40 DEAB CN(C)C(=O)[C@@H]1CN(CC2CC2)[C@H]2c3cc(F)ccc3OC[C@@H]12 1772595566 GHIYHGCJRJRDCB-VYDXJSESSA-N 318.392 2.305 0 40 DEAB CCC(=O)NCCCn1nc(-c2ccc(Cl)cc2)ccc1=O 11738374 PELKIINFOGFWBV-UHFFFAOYSA-N 319.792 2.480 0 40 DEAB Cc1c(CC(=O)N2CCCCC2)c(=O)oc2cc(O)cc(O)c12 12892761 XJHQBVSSOWMPBN-UHFFFAOYSA-N 317.341 2.068 0 40 DEAB biogenic NCCC(=O)N1CCC[C@@H]1Cc1ccc(Br)cc1 155701654 VEIPVNJGFIOXGQ-CYBMUJFWSA-N 311.223 2.331 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCO2 514606283 WQYKLKQTGOPHQG-CQSZACIVSA-N 303.358 2.020 0 40 DEAB COc1ccc(-c2n[nH]c(S[C@H]3CCCCNC3=O)n2)cc1 21465324 FGYSVJBZRYXAHP-LBPRGKRZSA-N 318.402 2.241 0 40 DEAB Cc1cc(N)nc(SCC(=O)NCc2ccc(Cl)cc2)n1 7047882 AKOFXMQSRGLHLA-UHFFFAOYSA-N 322.821 2.429 0 40 DEAB CC(C)(C)c1ccc(OC[C@H]2CCN(c3ccncn3)C2)nn1 1888843220 GIYWQKBFJQQQKP-ZDUSSCGKSA-N 313.405 2.469 0 40 DEAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)CN(C)C(C)C)C[C@H]21 1565546777 AEVCCYUEXVLNFZ-ZFWWWQNUSA-N 316.449 2.038 0 40 DEAB CC(=O)c1ccc(NC(=O)CSc2cc(C)[nH]c(=O)n2)cc1 8556381 LOPBWJVJVZWGLT-UHFFFAOYSA-N 317.370 2.012 0 40 DEAB CCOC(=O)CN(C(=O)CNC(C)(C)CC)c1ccccc1 40119093 BDICXQZOTDDYHT-UHFFFAOYSA-N 306.406 2.361 0 40 DEAB CN(C)c1cc(CNC(=O)c2ccc(Br)o2)ccn1 40512578 YYMFAVNNRMKEDC-UHFFFAOYSA-N 324.178 2.433 0 40 DEAB Cc1ccc2ncn(CC(=O)N(C)c3ccccc3)c(=O)c2c1 40538901 FDLSBXRZIADCRN-UHFFFAOYSA-N 307.353 2.368 0 40 DEAB C[C@@]1(c2cccc(NC(=O)c3cccs3)c2)NC(=O)NC1=O 40535862 UFBODBVFMSUCSV-HNNXBMFYSA-N 315.354 2.055 0 40 DEAB Cc1nn(CCCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1Cl 101592695 OLIKPFBYKOTNGF-RYUDHWBXSA-N 309.797 2.410 0 40 DEAB CC1(C)NC(=O)N(CCCC(=O)NC2CCCCCCC2)C1=O 21874269 CNVUSNUEVIXYLP-UHFFFAOYSA-N 323.437 2.326 0 40 DEAB C[C@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCC2)C1=O 54260299 OOKZIHMJYDCMHS-GFCCVEGCSA-N 302.374 2.202 0 40 DEAB COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2)cc1 168623 OKKCQNOEZYCHMK-UHFFFAOYSA-N 309.362 2.355 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2C[C@H]2CCOC2)cc1 106905682 HFAHAIVJPFUXBG-UKPHBRMFSA-N 317.385 2.396 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=S)NCc2ccccc2)C1 6463668 LKFOBGOLQYSKHC-CQSZACIVSA-N 306.431 2.336 0 40 DEAB CN1CC[C@H](OC(=O)[C@](O)(c2ccccc2)C2CCCC2)C1 1693017 OVGMKPGXRHJNKJ-WMZOPIPTSA-N 303.402 2.312 0 40 DEAB in-vitro CCCNC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1 1719067 VJLKOTZGKFFCET-UHFFFAOYSA-N 300.358 2.122 0 40 DEAB CC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2Cl)C1=O 8733944 LJOOETQKLJVAQY-OAHLLOKOSA-N 323.780 2.307 0 40 DEAB Cc1cccc(C(=O)NCCNC(=O)[C@H]2COc3ccccc32)c1 95396624 GKFWKJXESDJDKS-INIZCTEOSA-N 324.380 2.017 0 40 DEAB Cc1c(OCC(=O)NCc2ccccc2Cl)c(=O)ccn1C 44922251 OQDPMYHQWMBOHE-UHFFFAOYSA-N 320.776 2.042 0 40 DEAB O=C(CN1CCC[C@H]1c1ccc(Cl)cc1)N1CCNC1=O 58343095 IRYHBJVKVPJNKM-ZDUSSCGKSA-N 307.781 2.029 0 40 DEAB COC(=O)c1cc(OC(=O)c2cc(Cl)ccc2OC)n(C)n1 107823263 MQGCFPNXDSTURJ-UHFFFAOYSA-N 324.720 2.088 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)c1ccc(F)c(Br)c1 95403534 IQJWXCZUNDSHRC-VIFPVBQESA-N 315.186 2.364 0 40 DEAB COCCOc1ccc(CNC(=O)N2CCC[C@@H](C)C2)cn1 46819151 CUZBDMDXLLXULZ-CYBMUJFWSA-N 307.394 2.048 0 40 DEAB CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(CC)C2)cc1 58368495 HCPGEAIPQKOQGR-HNNXBMFYSA-N 310.463 2.402 0 40 DEAB C[C@@H](Cc1ccccc1Cl)NC(=O)[C@H]1CCN(C)C(=O)C1 46931637 OYKWNOKPHRKZEO-AAEUAGOBSA-N 308.809 2.256 0 40 DEAB COc1ccc(CNC(=O)c2nc(-c3ccccn3)no2)cc1 12322558 MHHZYSIONNVPNF-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB Nc1nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n[nH]1 3358347 MJQRAMYAZWBRBV-UHFFFAOYSA-N 314.370 2.274 0 40 DEAB O=C(c1ccccc1)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12866101 YFEUOKRSBOGECW-HNNXBMFYSA-N 307.415 2.259 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 3555645 AVIJZXAQPRAFPJ-UHFFFAOYSA-N 318.398 2.498 0 40 DEAB O=c1onc(-c2cnccn2)n1Cc1nc(Cl)ccc1Cl 96010415 LMZZSHPXQCRXNO-UHFFFAOYSA-N 324.127 2.043 0 40 DEAB S=C(NC[C@@H]1CCCO1)SCc1cn2cccnc2n1 4136834 IFDAJMLXOCARFV-NSHDSACASA-N 308.432 2.016 0 40 DEAB CCOCCN(C)C(=O)NCc1cc(Cl)cc2c1OCC2 97114801 ZAJBLADSRMPPFX-UHFFFAOYSA-N 312.797 2.453 0 40 DEAB COc1cccc2c1OCC(=O)N(c1ccc3c(c1)OCO3)C2 65184470 PPLVOKFFFSOYQF-UHFFFAOYSA-N 313.309 2.350 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@@H]1CCCN1Cc1ccc(F)cc1 72310030 FTMSSTLGTGMNTJ-HOTGVXAUSA-N 306.381 2.085 0 40 DEAB CCc1cc(N[C@@H]2CCCCNC2=O)nc(-c2ccccn2)n1 65566312 NBEZCGHLNQIXOL-CQSZACIVSA-N 311.389 2.182 0 40 DEAB CN1CCC(NC(=O)Nc2nc(-c3ccccc3)ns2)CC1 65771920 QBWILACOWOLDJA-UHFFFAOYSA-N 317.418 2.421 0 40 DEAB COC(=O)Nc1ccc(NC(=O)CSc2nccn2C)cc1 65872181 LFDXMUXYUMHENC-UHFFFAOYSA-N 320.374 2.329 0 40 DEAB CC(C)S(=O)(=O)NC[C@H]1CCCN([C@H]2C=CCCC2)C1 66497237 VREGBTOHCPMNFJ-CABCVRRESA-N 300.468 2.135 0 40 DEAB CN(C)[C@H](CNC[C@@H](O)COc1ccccc1)c1cccs1 22029666 ZUTTXFHZQYLQCD-GDBMZVCRSA-N 320.458 2.380 0 40 DEAB CN(Cc1ccc(F)cc1Cl)C(=O)C(=O)Nc1cccnc1 71886092 XHGZZDSEOKTQQI-UHFFFAOYSA-N 321.739 2.471 0 40 DEAB Cc1cnn(C2CN([C@H](C)C(=O)N3CCc4ccccc4C3)C2)c1 71878796 UERNIRDKSBMPBF-OAHLLOKOSA-N 324.428 2.022 0 40 DEAB C[C@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCCCC1 8230697 IZXZMMFWJFVXKZ-ZDUSSCGKSA-N 315.417 2.392 0 40 DEAB COc1cccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)c1 8247188 ASVOWCVZDKDZJD-GFCCVEGCSA-N 302.374 2.107 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2ccc(-n3cncn3)c(F)c2)c1 69459663 OQBUNGHQCDRKTD-CYBMUJFWSA-N 314.368 2.090 0 40 DEAB COc1cccc(-c2nn3c(-c4cnn(C)c4)nnc3s2)c1 72404366 FHUIVYTWMDYVDW-UHFFFAOYSA-N 312.358 2.262 0 40 DEAB O[C@H](CN1CCN(CC2(O)CCCCC2)CC1)c1ccccc1 69739542 QQTXMGVRCLIERR-GOSISDBHSA-N 318.461 2.033 0 40 DEAB CO[C@H](C(=O)N1CCn2c(nnc2C(C)C)C1)c1ccccc1 69841365 WKPXMSZBNFWCPG-HNNXBMFYSA-N 314.389 2.131 0 40 DEAB O=C(CNC(=O)c1ccccc1)NCc1csc(C2CC2)n1 69972636 RWJRTHCXMGYKEF-UHFFFAOYSA-N 315.398 2.067 0 40 DEAB O=C(COC(=O)c1ccno1)N[C@@H](c1ccccc1)C1CC1 84522102 QAFHAENVAFITJR-HNNXBMFYSA-N 300.314 2.099 0 40 DEAB COC(=O)[C@H]1CCCCC[C@H]1NC(=O)c1ccn(C(C)C)n1 88268423 YOQJAHDOPDXLCS-QWHCGFSZSA-N 307.394 2.316 0 40 DEAB CCNC(=O)CNC(=O)N[C@H](c1ccccc1F)C1CCCC1 88479795 TYAKXCFMEPNGBT-INIZCTEOSA-N 321.396 2.492 0 40 DEAB C[C@H](C(=O)N1C[C@@H](CO)OC[C@H]1C)c1ccc(Cl)s1 95979135 RBNWDMGBZWSXGH-UTLUCORTSA-N 303.811 2.113 0 40 DEAB OCCC1(CNc2nc3ccccc3cc2CO)CCOCC1 74771636 XKWHOSMQRDHHHR-UHFFFAOYSA-N 316.401 2.318 0 40 DEAB COC(=O)CCCc1nnc(NC(=O)[C@H]2CC=CCC2)s1 75143975 AOCBUQJJXDOVIJ-JTQLQIEISA-N 309.391 2.329 0 40 DEAB Cc1nc(CNS(=O)(=O)Cc2ccccc2)c2ccccn12 89708983 GWYKNKMCTUHHHC-UHFFFAOYSA-N 315.398 2.262 0 40 DEAB O=C(Nc1ccccn1)N1CCC([C@H](O)C(F)(F)F)CC1 89883858 SKKUHKCEKOGULQ-NSHDSACASA-N 303.284 2.249 0 40 DEAB CC(=O)N1CC[C@@H](NCC2=Cc3ccccc3OC2)[C@H](C)C1 89937406 YYOXAHWGSFWBPW-CXAGYDPISA-N 300.402 2.309 0 40 DEAB CCOC(=O)NCCC(=O)N1CCC(n2c(C)ccc2C)CC1 89984748 KRLQDSNSGWLWAY-UHFFFAOYSA-N 321.421 2.405 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCCO3)no1 76043231 PZMIXKFNCJDPRN-GFCCVEGCSA-N 315.329 2.127 0 40 DEAB O=C(c1ccc2nccnc2c1)N1CC[C@H](Oc2ccncc2)C1 121214752 XLFWEDRCXLWQNY-HNNXBMFYSA-N 320.352 2.318 0 40 DEAB COc1cccc(OC)c1OC[C@@H](O)CN1C[C@@H](C)C[C@H](C)C1 37530381 APTCTONTNWIXCI-KKUMJFAQSA-N 323.433 2.421 0 40 DEAB COCCCNS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 74934942 KHSIPUFXHYNMBQ-UHFFFAOYSA-N 315.435 2.442 0 40 DEAB O=C(NCc1cccnc1)c1ccnn1CCc1ccccc1 1538651361 PLQKQOFMAOCNRQ-UHFFFAOYSA-N 306.369 2.451 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2cc(-c3ccco3)[nH]n2)CC1 30512722 FFXYLGCUGYFKNX-UHFFFAOYSA-N 317.345 2.085 0 40 DEAB O=C(NCCOCC1CC1)N1CCO[C@H](c2ccc(F)cc2)C1 78714696 CDEMDHCJOZINQK-INIZCTEOSA-N 322.380 2.335 0 40 DEAB CCOc1ccc2[nH]c(=O)c(/C=C3/SC(=N)NC3=O)cc2c1 35147608 MXVWFBIEFVVNSR-KPKJPENVSA-N 315.354 2.065 0 40 DEAB CCN(CC)c1nc(C)cc(C(=O)Nc2cnn(CC)c2)n1 72240381 KXEURFGBJJAIMP-UHFFFAOYSA-N 302.382 2.100 0 40 DEAB CC(=O)N1CCC[C@H](c2cncc(N3CCC(C)CC3)n2)C1 72364759 MFYPYHFGSOQVKY-HNNXBMFYSA-N 302.422 2.439 0 40 DEAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ncccc1O 127318741 JOWRAJWMJPRUMX-NRFANRHFSA-N 304.371 2.226 0 40 DEAB CCCNC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 225773931 LHTQLGWEZOTNKK-LBPRGKRZSA-N 305.378 2.127 0 40 DEAB COc1cc(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1 47461948 NHPWDPZEWLELMA-UHFFFAOYSA-N 306.387 2.186 0 40 DEAB O=C(NCCCc1cnc2ncnn2c1)c1ccc(Cl)s1 225641649 CPAVZMOLRNJENH-UHFFFAOYSA-N 321.793 2.202 0 40 DEAB COc1cc(CN2CCSC[C@@H]2c2cnn(C)c2)ccc1O 195003078 MVEGPCJSVIVSFI-CQSZACIVSA-N 319.430 2.424 0 40 DEAB CSC[C@@H](O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 225708595 KLRAAIKKKUNGEB-JTQLQIEISA-N 318.324 2.083 0 40 DEAB O=C(CCN1CCC[C@H]1CO)Nc1cccc(C(F)(F)F)c1 83170856 KGLZZIJALGVAEQ-ZDUSSCGKSA-N 316.323 2.491 0 40 DEAB CCOC(=O)CC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 199735430 OJGYGGRKSGMNIQ-UHFFFAOYSA-N 315.366 2.042 0 40 DEAB Cc1cccc(CN2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)n1 96159513 OTTZLVYVZNLZSO-LJQANCHMSA-N 322.412 2.414 0 40 DEAB O=C(NCc1csc(C2CC2)n1)NC[C@@H]1CCN(C2CC2)C1 95395570 XCQDCLTWCDDRLJ-NSHDSACASA-N 320.462 2.304 0 40 DEAB c1ccc(OC[C@]23COC[C@H]2CN(Cc2ccoc2)C3)nc1 96109036 WOCLDCOAVBPMMI-WBVHZDCISA-N 300.358 2.202 0 40 DEAB CNc1ccc(Cl)c(C(=O)N2CCOC[C@H]2CCOC)c1 331249135 XWNNBVFATQIESX-GFCCVEGCSA-N 312.797 2.259 0 40 DEAB CC(C)N1C[C@@H]2CN(Cc3nccs3)CCC[C@]2(C(=O)O)C1 96185160 CAXVTDKKZCOCMI-BBRMVZONSA-N 323.462 2.150 0 40 DEAB C[C@H](C(=O)NCC(F)(F)F)N(C)Cc1ccc(F)c(F)c1 95430153 RZUBFZFIWKDBKU-MRVPVSSYSA-N 310.266 2.464 0 40 DEAB COCCS(=O)(=O)Nc1cccc2c1CN(CC(C)C)C2 96496903 MMPCCUYTRVMOHE-UHFFFAOYSA-N 312.435 2.046 0 40 DEAB CN1C(=O)C[C@H](NCc2ncc[nH]2)[C@@H]1c1ccc(Cl)cc1 92849539 SQCYJJALRZWHHS-WFASDCNBSA-N 304.781 2.125 0 40 DEAB Cc1ccc(CN2CCOC[C@@]3(CC[C@H](CN(C)C)O3)C2)s1 96052284 NHHCRIJOALYMQZ-NVXWUHKLSA-N 324.490 2.368 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccncc2)[C@H]1C(=O)O 96675785 IDUXXYDWGCYHLJ-STQMWFEESA-N 306.362 2.334 0 40 DEAB CC(C)N1C(=O)CN(C(=O)CC[C@@H]2CCCOC2)CC1(C)C 96449869 OXMHLGYKEBUQDF-AWEZNQCLSA-N 310.438 2.051 0 40 DEAB C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(C[C@@H](O)CC(F)(F)F)C2=O 248860484 ACNAHHGLJJAILT-BBBLOLIVSA-N 322.327 2.046 0 40 DEAB Cc1cc(N2CCC[C@@H]2c2cnc(-c3ncc[nH]3)cn2)ncn1 257226461 FKRQSILZNVTKGW-CQSZACIVSA-N 307.361 2.307 0 40 DEAB COc1cccc(-n2nc(C(=O)O)c(N3CCCCCC3)n2)c1 256047073 KELAELGXBYSDDK-UHFFFAOYSA-N 316.361 2.355 0 40 DEAB CNc1cc(CC2CCN([C@H]3CCCC[C@H]3O)CC2)ncn1 257291984 QJMLAIOOVJRSBI-JKSUJKDBSA-N 304.438 2.076 0 40 DEAB O=C(/C=C/c1ccco1)NCCn1ccc(-c2ccncc2)n1 96026117 LOBHIVBSRDGBDW-ONEGZZNKSA-N 308.341 2.368 0 40 DEAB COc1nn(C)cc1C(=O)N1CCc2sc(Cl)cc2C1 575607929 SAIAXOFKOPNDKH-UHFFFAOYSA-N 311.794 2.342 0 40 DEAB CO[C@@H](CN1C(=O)N[C@](C)(c2cccnc2)C1=O)C1CCCC1 585098115 KXKZUAVOFYOWBA-WMLDXEAASA-N 317.389 2.054 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNCc1cccn1C 76042799 YHSJBVZLBGMOIB-WMLDXEAASA-N 302.422 2.243 0 40 DEAB Cc1ccccc1NC(=O)Cn1nc2c(cc1=O)C[C@H](C)CC2 12414917 DGAFJAKGFARZJN-GFCCVEGCSA-N 311.385 2.315 0 40 DEAB O=C(CN1CCC[C@H]1Cn1cccn1)N1CCCc2ccccc21 19659177 FGOMRTNZDUUSFV-KRWDZBQOSA-N 324.428 2.327 0 40 DEAB COc1ccc(/C=C/C(=O)O)cc1NC(=S)NC(=O)C(C)C 226356824 FADTVBAGOAAGKN-FNORWQNLSA-N 322.386 2.262 0 40 DEAB O=C(NCc1cccs1)NCC1CCN([C@H]2CCOC2)CC1 575415569 AJSQGTCUTWBKEO-AWEZNQCLSA-N 323.462 2.048 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)CN(C)C1CCN(C)CC1 2632818 ZYKLQNXERKHGAV-INIZCTEOSA-N 317.477 2.150 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)CCO1 10681476 HLTKEXXHUZBEFT-QMMMGPOBSA-N 310.202 2.403 0 40 DEAB Brc1ccc2[nH]c(=NC[C@H]3CCCO3)ncc2c1 1889116456 PKQUPQSGCMGFFT-LLVKDONJSA-N 308.179 2.405 0 40 DEAB O=C(Cn1ccc2ccccc21)N1CC(Oc2nccs2)C1 208032050 NQYLEMVVNVPYAG-UHFFFAOYSA-N 313.382 2.388 0 40 DEAB COc1ncc(NS(=O)(=O)c2c(C)cc(C)cc2C)cn1 224285699 DSAOYMVFEXRALV-UHFFFAOYSA-N 307.375 2.211 0 40 DEAB Cc1c(O)ccc2c(CN3C[C@@H](C)OC[C@@H]3C)cc(=O)oc12 40501460 GMVCBTVGLVQGID-WDEREUQCSA-N 303.358 2.416 0 40 DEAB C[C@@H](NC(=O)CCc1ccco1)c1ccc2c(c1)NC(=O)CO2 40510860 VOEHSNQBLADYBM-LLVKDONJSA-N 314.341 2.421 0 40 DEAB Cc1[nH]c(C(=O)Nc2nncs2)c(C)c1C(=O)OC(C)C 21214409 QHUUPKGDZGGXLE-UHFFFAOYSA-N 308.363 2.301 0 40 DEAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@@H](O)C1 32652155 UNUFQFSICIENAT-LLVKDONJSA-N 312.797 2.052 0 40 DEAB O=C(NCc1cccs1)[C@@H]1CC(=O)N(c2ccccc2)C1 382598 POJZEYSDLWWKLW-GFCCVEGCSA-N 300.383 2.417 0 40 DEAB CC[C@H](C)[C@@H](NC(N)=O)C(=O)N1CC=C(c2ccccc2)CC1 32994447 YLYCLWRPAXMGFR-XJKSGUPXSA-N 315.417 2.385 0 40 DEAB Cc1noc([C@H]2CCCN(CCC(=O)NC3CCCC3)C2)n1 52863702 WTJPSWZBLQKQTJ-ZDUSSCGKSA-N 306.410 2.006 0 40 DEAB COc1ccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)cc1 416082 GFEKOOSEUIZPSB-UHFFFAOYSA-N 323.352 2.352 0 40 DEAB CCc1ccsc1C(=O)NCCC(=O)N1C[C@H](C)O[C@@H](C)C1 53091177 WWTCANVYFJCGAM-RYUDHWBXSA-N 324.446 2.066 0 40 DEAB COc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1OC 510326 BRJNUUJSIZVJCD-UHFFFAOYSA-N 324.340 2.240 0 40 DEAB CCCn1nnnc1NC(=O)c1cccc(Br)c1 569451 MYQLFOVOKFLDJP-UHFFFAOYSA-N 310.155 2.098 0 40 DEAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)Cn2cncn2)cc1 53721109 KSVZZRHZIAJLSP-CQSZACIVSA-N 313.405 2.291 0 40 DEAB COC(=O)c1ccoc1COC(=O)c1n[nH]c2ccccc12 23447165 NYTFBRWVYRPFHE-UHFFFAOYSA-N 300.270 2.300 0 40 DEAB Cc1cccc2c(=O)n(CCC(=O)N3CCCCCC3)cnc12 12456089 YTTZUTMMWAAZBH-UHFFFAOYSA-N 313.401 2.498 0 40 DEAB O=C(COc1cccnc1Cl)NCCOc1ccc(F)cc1 72293316 RIHGVQQMVCUNJL-UHFFFAOYSA-N 324.739 2.448 0 40 DEAB C[C@@H](C(=O)NC1CCCC1)N1CCC(N2CCCCC2)CC1 4448478 IKMJAMMHOMHGQS-HNNXBMFYSA-N 307.482 2.384 0 40 DEAB O=C(Cn1cnc2sccc2c1=O)c1ccc2c(c1)CCO2 26232561 WWQAMHZATDEZPT-UHFFFAOYSA-N 312.350 2.276 0 40 DEAB COc1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1F 35326272 HHOWTAZRDICLBY-MRXNPFEDSA-N 314.360 2.247 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@H]1C[C@@H]1c1c(F)cccc1F 72286450 KXTKAQJBOFSQGP-WOPDTQHZSA-N 317.339 2.396 0 40 DEAB c1coc(-c2nnc(Cn3nnc(-c4cccs4)n3)o2)c1 12593150 SDLUGYZSTGRBGT-UHFFFAOYSA-N 300.303 2.093 0 40 DEAB COC(=O)[C@@H]1CCCCN1Cc1nc(-c2ccc(F)cc2)no1 27561782 CNPDFUNXDVOLFH-ZDUSSCGKSA-N 319.336 2.403 0 40 DEAB CCC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 58292859 GLAZEKDZSWLPRA-UHFFFAOYSA-N 322.364 2.461 0 40 DEAB C[C@@H]1COCCN1C(=O)NC[C@H](c1cccs1)N1CCCC1 44966580 SQGXCWGZYREOEF-ZIAGYGMSSA-N 323.462 2.315 0 40 DEAB Cc1cc(NC(=O)C(=O)N2CCc3sccc3[C@H]2C)no1 45079696 QDJMGRLYYAVLAO-SECBINFHSA-N 305.359 2.129 0 40 DEAB COCCC(=O)N1C[C@H]2CN(Cc3ccccc3Cl)[C@H]2C1 107798198 WOXILZNDGVOCNS-HIFRSBDPSA-N 308.809 2.019 0 40 DEAB COc1ccc(Cl)cc1NCC(=O)N1CCSCC1 60208935 RVYDPQZQHUPQJM-UHFFFAOYSA-N 300.811 2.336 0 40 DEAB CNC(=O)c1cccc(CNC(=O)N2CCc3ccccc32)c1 46999829 UBXPTMHRGZWJPN-UHFFFAOYSA-N 309.369 2.319 0 40 DEAB CCS[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)Cn1cncn1 110667882 ARPAMHMJBFNEPW-JHJVBQTASA-N 311.455 2.030 0 40 DEAB Cc1ccc(NC(=O)COC(=O)[C@@H]2CSCCS2)cc1 3446073 NCHMEDVQCISGDS-LBPRGKRZSA-N 311.428 2.325 0 40 DEAB O=C1C[C@@H](c2ccccc2)Cc2[nH]c(=O)c(C(=O)NC3CC3)cc21 49551369 UXUISMPVIGSSFK-LBPRGKRZSA-N 322.364 2.180 0 40 DEAB C[C@H](OC(=O)COc1ccc(Nc2ccccc2)cc1)C(N)=O 4246711 CECJPJWZNFICER-LBPRGKRZSA-N 314.341 2.226 0 40 DEAB CCOCCN1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F 97238111 BDMVEXQUYKMGOW-ZDUSSCGKSA-N 316.323 2.215 0 40 DEAB NS(=O)(=O)c1ccc2[nH]c(-c3cc(Cl)ccc3O)nc2c1 5267689 KEFZTUAVQDONIY-UHFFFAOYSA-N 323.761 2.236 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)C1 65477003 VFMOWTZIDIPPRP-XCRNYIDWSA-N 313.184 2.340 0 40 DEAB NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@]1(O)C(F)(F)F 4476910 RAVGFZIANOJXFH-JTQLQIEISA-N 323.727 2.244 0 40 DEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 4472268 PZVJFNOMMUCRQT-KWINOFQJSA-N 321.354 2.293 0 40 DEAB CC1CCC2(CC1)NC(=O)N(C[C@H](O)c1ccccc1)C2=O 14183957 FOYPEOVILIUOFP-TVIZTDCDSA-N 302.374 2.221 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCCc2ccco2)c1C 14109392 ODWMZHUPNUMGPB-UHFFFAOYSA-N 304.346 2.374 0 40 DEAB Cc1ccc(Br)cc1C(=O)N(CC(=O)O)C1CC1 87741882 KQGDSGYWARSZFR-UHFFFAOYSA-N 312.163 2.447 0 40 DEAB Cn1cc([C@H]2CCCN2C(=O)Cc2noc3ccccc23)cn1 71796940 GSOJYHVRGGFZSA-OAHLLOKOSA-N 310.357 2.468 0 40 DEAB CCc1noc(C)c1CS(=O)(=O)CC1(O)CCCCC1 96493622 CTQNVVYUDNESRS-UHFFFAOYSA-N 301.408 2.155 0 40 DEAB CC[C@@H](C(=O)N[C@H]1COc2c1ccc(C)c2C)N1CCCC1=O 96436342 SJOJEOYLLYDOJS-GJZGRUSLSA-N 316.401 2.254 0 40 DEAB Cc1cc(C)nc(N2CCC(C(=O)NCCC(C)C)CC2)n1 4966118 PCLQTBNIWYJUPR-UHFFFAOYSA-N 304.438 2.472 0 40 DEAB O=C1CS[C@@]2(C(=O)Nc3ccccc32)N1c1ccc(O)cc1 5948566 KJLSZQYREAKFDB-INIZCTEOSA-N 312.350 2.277 0 40 DEAB CCCN(CCC)S(=O)(=O)c1ccc(CNC(C)=O)cc1 7063387 PQOFTHPOSIDZGC-UHFFFAOYSA-N 312.435 2.133 0 40 DEAB C[C@@H](CC(=O)Nc1ccc(F)cc1)N[C@H]1CCc2[nH]ncc2C1 90455093 WCYNTWKPSFMLOG-NHYWBVRUSA-N 316.380 2.413 0 40 DEAB NC(=O)[C@H](c1ccccc1)N1CCN(Cc2ccsc2)CC1 71892846 RHVGBGIOGQWRGD-INIZCTEOSA-N 315.442 2.092 0 40 DEAB CO[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1=O)c1ccccc1 68202583 PZGHQQBZRRGPJZ-IAGOWNOFSA-N 324.380 2.296 0 40 DEAB CC(C)n1c(CCNC(=O)c2ccc(C=O)cc2)n[nH]c1=S 68449005 CAXFOAFQYJLHSN-UHFFFAOYSA-N 318.402 2.307 0 40 DEAB CCS(=O)(=O)NCCN[C@@H](c1ccc(F)cc1)C(C)C 68801543 YXXUANZPMSPCLJ-CQSZACIVSA-N 302.415 2.052 0 40 DEAB CC[C@H]1CCCCN1C(=O)COC(=O)c1cc(C(C)=O)c[nH]1 8258361 FIZCNQVAHGNYOS-ZDUSSCGKSA-N 306.362 2.165 0 40 DEAB CN(C)C(=O)CCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 69347439 VCXWYYOVVXQHDO-LBPRGKRZSA-N 316.323 2.317 0 40 DEAB FC(F)COc1cc(CN[C@@H]2CCN3CCC[C@@H]3C2)ccn1 91411901 AADFKJCGJNPHOK-ZIAGYGMSSA-N 311.376 2.442 0 40 DEAB CCNC(=O)[C@@H](C)NC(=O)c1ccnc(Oc2ccccc2)c1 69510502 BLAZLJLPZFQGJQ-GFCCVEGCSA-N 313.357 2.128 0 40 DEAB O=C(CNc1ccccc1Cl)N[C@H]1CCN2CCCC[C@H]12 69535271 LLKUZCIYKZJUPK-LSDHHAIUSA-N 307.825 2.495 0 40 DEAB CNC(=O)Cc1ccc(NC(=O)[C@H](C)N2CCCCCC2)cc1 69978957 BXMUHAVHLHTQQP-AWEZNQCLSA-N 317.433 2.178 0 40 DEAB CC[C@H](O)CN1CCN(C(=O)CCc2cccc(Cl)c2)CC1 69920796 SUTLRKJTCXZZSS-INIZCTEOSA-N 324.852 2.188 0 40 DEAB C[C@H](CC(=O)N(C)C)N[C@H](C)c1ccc(-n2ccnc2)cc1 8706504 YQFXQFNEYLNEMA-ZIAGYGMSSA-N 300.406 2.390 0 40 DEAB C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1cnc(C2CC2)nc1 92758894 IETGUPJMMHSZBQ-BXUZGUMPSA-N 301.394 2.054 0 40 DEAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1Cc1ncnn1C 97012398 PVVBELQJAUNMCJ-QWHCGFSZSA-N 323.441 2.083 0 40 DEAB CC1(C)C[C@H](NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)C(C)(C)O1 97049645 NAZGXTNMIMYZTB-SOUVJXGZSA-N 318.417 2.290 0 40 DEAB Cc1cc(C)cc(C[C@H](C)NC(=O)NCCC(=O)N(C)C)c1 73742303 MFEMKYLHDIHWKO-AWEZNQCLSA-N 305.422 2.012 0 40 DEAB CCOc1ccc(C(=O)N[C@H](CC(=O)O)C2CC2)cc1OCC 89267929 DBPMOCAGEOYFLQ-CYBMUJFWSA-N 321.373 2.467 0 40 DEAB Cn1nnnc1-c1cccc(NCc2cccc3cn[nH]c23)c1 89741519 AWAYHRVYJVAZKM-UHFFFAOYSA-N 305.345 2.366 0 40 DEAB CCOc1cc(Cl)ccc1CNC(=O)NCc1cnn(C)c1 89990939 LUFMBOQJNBMFGW-UHFFFAOYSA-N 322.796 2.472 0 40 DEAB COc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 89950053 JUOQVAXODBUGGT-UHFFFAOYSA-N 303.280 2.225 0 40 DEAB Cc1cc(NC(=O)NCC[S@](C)=O)ccc1N1CCCC1 76068871 WQZBULPSSLANJX-OAQYLSRUSA-N 309.435 2.095 0 40 DEAB CC(C)Cn1nc2n(c1=O)C(=O)N(c1ccc(Cl)cc1)C2 1547201299 YBSOIFNJHUXDJE-UHFFFAOYSA-N 306.753 2.343 0 40 DEAB COc1ccccc1CNC(=O)C(=O)NCCC1CCCCC1 408707191 KNFZQONQHHWNSO-UHFFFAOYSA-N 318.417 2.398 0 40 DEAB O=C(NCc1ccccc1F)NC[C@@H](O)c1ccccc1F 32826208 FLLHJEWJVAQYJZ-OAHLLOKOSA-N 306.312 2.498 0 40 DEAB Cc1cc(CCC(=O)N(C)C)nc(C2CCN(C(C)C)CC2)n1 72366979 LNHDSYYRWQFIAO-UHFFFAOYSA-N 318.465 2.394 0 40 DEAB CCOC(=O)C(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 36356964 BNDZKUNPRXVAQL-UHFFFAOYSA-N 301.224 2.083 0 40 DEAB Cc1cc(C2CCN(C(=O)C[C@H]3CCCNCC3)CC2)n[nH]1 566559957 GRIYWLIFRNBEMR-AWEZNQCLSA-N 304.438 2.204 0 40 DEAB C[C@H](N)C(=O)NC1CCC(N(Cc2ccccc2)C2CC2)CC1 79415682 WWKWDFDVFDZMQR-OOHWJJMZSA-N 315.461 2.426 0 40 DEAB CCN(CCCO)c1ncnc2c1cnn2-c1ccccc1C 40227537 QORGYWIEUJTBMA-UHFFFAOYSA-N 311.389 2.333 0 40 DEAB CS(=O)(=O)/N=C(\O)c1cnc(-c2ccccc2F)s1 63234215 FUYAYWYDPVGTMN-UHFFFAOYSA-N 300.336 2.213 0 40 DEAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](Oc2cnccn2)C1 225470001 YLZOTEBLQNAWNE-HNNXBMFYSA-N 315.348 2.228 0 40 DEAB Cc1cc(NC(=O)c2cc(OCc3ccccc3)ncn2)[nH]n1 225534379 HHSQIBUHSSKGTH-UHFFFAOYSA-N 309.329 2.339 0 40 DEAB Nc1ccc(N2CCOCC2)c(NC(=O)c2cccc(F)c2)c1 226252734 SUNCLTIVGJJISK-UHFFFAOYSA-N 315.348 2.497 0 40 DEAB CCc1nc(C)cc(Sc2nnc(N3CCOCC3)s2)n1 225818363 QKIPUEARBXTWSY-UHFFFAOYSA-N 323.447 2.187 0 40 DEAB O=C1CCc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2N1 96191697 VDXNAWZSCMHEQV-CHWSQXEVSA-N 316.357 2.401 0 40 DEAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)N1CCC[C@H]1CO 96503325 KZPDIFIEKUASKI-AAEUAGOBSA-N 308.426 2.174 0 40 DEAB O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H]1C1CC1 96420765 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CC[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 57860520 QGYJMCCLTBUCAI-DLBZAZTESA-N 302.418 2.461 0 40 DEAB CCCOc1cc(CNC(=O)COCC(F)(F)F)ccn1 95441840 KTDQQURQSNJVCZ-UHFFFAOYSA-N 306.284 2.066 0 40 DEAB CCOc1ccc(N[C@@H](C)C(=O)N2CCOCC2)cc1OCC 44867325 BIYHUPHCWUGPRF-ZDUSSCGKSA-N 322.405 2.143 0 40 DEAB CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(C)cc1Cl 58250267 GJTRNFLJMIBWHG-NSHDSACASA-N 315.826 2.377 0 40 DEAB CCn1cnnc1CNC(=O)NCC[C@@H](C)c1ccccc1 58245138 CQLIIEBKWKCEQS-CYBMUJFWSA-N 301.394 2.291 0 40 DEAB C[C@H](SC[C@@H](O)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58278279 JGEKHAATZCISKI-WCQYABFASA-N 324.446 2.466 0 40 DEAB Cc1nn(C[C@@H](O)c2ccc3c(c2)OCO3)c(=O)c2ccccc12 44974743 AYANFTYBMGANNT-OAHLLOKOSA-N 324.336 2.167 0 40 DEAB COc1c(CNC[C@H](c2ccc(F)cc2)N(C)C)c(C)nn1C 58344980 JKPUYVDXEJUSAN-MRXNPFEDSA-N 320.412 2.269 0 40 DEAB COc1c(CN[C@H](CN(C)C)c2ccccc2)c(C)nn1C 58343028 GDSMDFPLKYZYMA-MRXNPFEDSA-N 302.422 2.130 0 40 DEAB CC(C)N(C)CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 58338015 ZVHZZVCNCKVJON-OAHLLOKOSA-N 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CN(CCC(F)(F)F)C(=O)c1ccccc1NS(C)(=O)=O 71186243 ORHHXNVHJGVOCR-UHFFFAOYSA-N 324.324 2.083 0 40 DEAB Cc1noc(CCN[C@H]2C[C@H](C)CN(Cc3ccccc3)C2)n1 97095425 AUKORDGPVITEPL-YOEHRIQHSA-N 314.433 2.421 0 40 DEAB Cc1nn(C)cc1CCC(=O)N(C)Cc1ccc(C(=O)O)cc1 97018545 FUUQPCCKWKXSID-UHFFFAOYSA-N 315.373 2.018 0 40 DEAB NC(=O)C[C@H]1CCCN(c2nnc(Cc3ccccc3)s2)C1 97085981 ZUVBXZLQCBYOPJ-CYBMUJFWSA-N 316.430 2.221 0 40 DEAB Cc1cc(CNC(=O)NCCOc2ccc(F)c(F)c2)on1 72270203 ZUZZSGKXVGIDQO-UHFFFAOYSA-N 311.288 2.139 0 40 DEAB Cc1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2C[C@@H]2CCOC2)cc1 72275751 HFAHAIVJPFUXBG-YSVLISHTSA-N 317.385 2.396 0 40 DEAB Cc1cnc(CNS(=O)(=O)c2ccc(Cl)nc2Cl)o1 72307476 KDISAAGEQKVGFS-UHFFFAOYSA-N 322.173 2.163 0 40 DEAB NC(=O)CCN(C(=O)c1ccc(Cl)nc1)c1ccc(F)cc1 84404981 VWIFDLYRKTWYBQ-UHFFFAOYSA-N 321.739 2.396 0 40 DEAB COc1ccc(OC)c(CNc2ccc(S(C)(=O)=O)nc2)c1 95350745 MJEHCSVJZAYYEJ-UHFFFAOYSA-N 322.386 2.114 0 40 DEAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3c[nH]ccc3=O)c12 95351924 LHVIDUGLTYKZJS-UHFFFAOYSA-N 310.313 2.349 0 40 DEAB O=C(NCCOc1ccccc1)c1ccc(-c2ccco2)[nH]c1=O 75124806 NUVQNGHKUYXYLO-UHFFFAOYSA-N 324.336 2.444 0 40 DEAB CC(C)Oc1ccc(CNC(=O)N2CCC[C@@H](O)C2)cc1F 75133502 NGQSMYQNNWSSBI-CYBMUJFWSA-N 310.369 2.279 0 40 DEAB CC(C)n1cnnc1CCNC(=O)CO[C@H]1CCC[C@H](C)C1 89927345 KBCSJPXRILPYIQ-KBPBESRZSA-N 308.426 2.113 0 40 DEAB CSCCCCNC(=O)C(=O)Nc1cc(F)cc(F)c1 76018278 FFOWGQMSJGLMJJ-UHFFFAOYSA-N 302.346 2.163 0 40 DEAB OC1(CNCc2ccccc2N2CCOCC2)CCCCC1 66991686 WKBLDFOTYBBVDQ-UHFFFAOYSA-N 304.434 2.308 0 40 DEAB Cc1c(C(=O)NC[C@H](O)C2CCCC2)c(=O)oc2ccccc12 85526385 WUCGFQCTTCZBDE-AWEZNQCLSA-N 315.369 2.382 0 40 DEAB C[C@H](CNC(=O)CNC(=O)c1ccccc1)c1ccsc1 73371189 SBQYKQFUZGXLMR-GFCCVEGCSA-N 302.399 2.398 0 40 DEAB CC(C)(C)[C@H](COc1ccccc1F)NC(=O)c1c[nH]nn1 79001987 NDDQNMFIYXGWIJ-ZDUSSCGKSA-N 306.341 2.167 0 40 DEAB C[C@@H]1CN(c2ncc(-c3cnccn3)c(C3CC3)n2)CC[C@@H]1O 72340335 KPESEBDPNQCNKO-ABAIWWIYSA-N 311.389 2.018 0 40 DEAB Cc1cc(N2CCN(C)CC2)ncc1CNC(=O)OC(C)(C)C 72223598 WDYZTAXXASXVOZ-UHFFFAOYSA-N 320.437 2.167 0 40 DEAB N[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCN1 71186601 ZURJXUMOPDWDAQ-RBUKOAKNSA-N 322.408 2.421 0 40 DEAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 76981082 CBTYAHNGNQOIGX-XJKSGUPXSA-N 302.422 2.268 0 40 DEAB Cc1nc(Cl)cc(N[C@H]2CCCN(c3cnn(C)c3)C2)n1 78367692 IUJXGGCQMAANBG-NSHDSACASA-N 306.801 2.253 0 40 DEAB O=C(CCC1CCCCC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 47647889 WIQYXPZKJLPYRZ-MRXNPFEDSA-N 322.449 2.197 0 40 DEAB COc1ccc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1OC 41194713 INOSGLVKSDLSNX-UONOGXRCSA-N 305.374 2.487 0 40 DEAB O=C(CO)NCC1(c2cc(C(F)(F)F)ccc2Cl)CC1 191686210 AQLMMWJOHBHMDH-UHFFFAOYSA-N 307.699 2.499 0 40 DEAB CN(Cc1cccnc1)[C@@H]1COC2(CCN(CCF)CC2)C1 96220906 OOGXOBBQZDKLCG-INIZCTEOSA-N 307.413 2.106 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H](N)C1CCCCC1 96482581 GRLOBOXOOUPIEQ-QGZVFWFLSA-N 318.417 2.324 0 40 DEAB Cc1cc(=O)c(OCC(=O)Nc2ccc(F)c(F)c2F)c[nH]1 95474970 LBGCOTDAAPEVGA-UHFFFAOYSA-N 312.247 2.118 0 40 DEAB COC(C)(C)c1noc(-c2cc(-c3c(C)nn(C)c3C)n[nH]2)n1 96461125 FYCNPMAPMXXDOV-UHFFFAOYSA-N 316.365 2.359 0 40 DEAB Cn1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c(C(F)(F)F)n1 96403389 YPZQRIJTSQWNAY-GHMZBOCLSA-N 317.311 2.223 0 40 DEAB COc1ccc([C@H](N)c2n[nH]c(CNc3ccccc3)n2)cc1 95533684 BICGAEAJGXVVDK-INIZCTEOSA-N 309.373 2.474 0 40 DEAB O=C1CC[C@@H](C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)N1 142652251 YSZNYMJNILDTRF-INIZCTEOSA-N 323.348 2.358 0 40 DEAB Cc1ccn(CC(=O)NCCCOC2CCCCC2)c(=O)c1 96428896 TZAASAOOVMLBRG-UHFFFAOYSA-N 306.406 2.012 0 40 DEAB CC(C)(C)C(=O)N1CCC2(CC1)CN(c1cccnc1)C2=O 96202963 OZDUDUZYQQKSHI-UHFFFAOYSA-N 301.390 2.083 0 40 DEAB O=C(C1CC=CC1)N1CC2(C[C@H](Oc3ccccn3)CCO2)C1 247796361 CRQGRVAVAYQKSH-OAHLLOKOSA-N 314.385 2.187 0 40 DEAB C[C@H](O)c1onc(-c2cccnc2)c1C(=O)NC1CCCC1 253398313 GXZMVVCWVLITIL-JTQLQIEISA-N 301.346 2.462 0 40 DEAB biogenic,in-vitro CO[C@@H]1CC[C@@H](N(C)C(=O)c2oc3ccccc3c2C)[C@H]1O 257216467 CUPSTNVLBHJLDM-BPLDGKMQSA-N 303.358 2.352 0 40 DEAB Cc1ccn(CCC(=O)N2CCC[C@H](c3ccnc(C)n3)C2)n1 257335786 YLWYCPOUWFMWBE-HNNXBMFYSA-N 313.405 2.086 0 40 DEAB O=C(c1noc2c1CCCC2)N1CCC[C@@H]1c1ccnc(O)n1 257294140 QSSUPUIOSGAAIR-GFCCVEGCSA-N 314.345 2.026 0 40 DEAB Cc1ccsc1CN1CCO[C@@H](CCc2cc(O)ncn2)C1 257222837 DUVVIXOHODDFFF-AWEZNQCLSA-N 319.430 2.386 0 40 DEAB COC(=O)Nc1cccc(NCC(C)(C)N2CCOCC2)c1 585140244 AQVWGECSFGAWLF-UHFFFAOYSA-N 307.394 2.388 0 40 DEAB CC(=O)c1ccc2c(c1)CCN(C(=O)c1c[nH]c(C)cc1=O)CC2 677333808 PPWWUYOHBINFOJ-UHFFFAOYSA-N 324.380 2.127 0 40 DEAB CC(C)(C)C(=O)NCCC(=O)N1CC[C@@H](Nc2ccccc2)C1 69776839 QLXAPVGCJHUMOV-OAHLLOKOSA-N 317.433 2.252 0 40 DEAB Cc1nccc(-c2cccc(NC(=O)c3ccc[nH]c3=O)c2)n1 31801009 BFMKHLZYVNMJHP-UHFFFAOYSA-N 306.325 2.393 0 40 DEAB CCN(Cc1nc(N)nc(N(C)C)n1)c1cc(C)cc(C)c1 83169019 AKJSYJQGENGDAG-UHFFFAOYSA-N 300.410 2.163 0 40 DEAB C[S@@](=O)CCNC(=O)Nc1cc(-c2ccccc2)ns1 80135434 FHPZLWBYXLVJPJ-FQEVSTJZSA-N 309.416 2.310 0 40 DEAB C[C@@H](NC(=O)[C@@H](Cc1ccccc1)S(C)(=O)=O)C(C)(C)C 95449667 BSFCGPLNHGSJOR-TZMCWYRMSA-N 311.447 2.193 0 40 DEAB CCOc1cccc([C@@H](C)NCC(=O)N2C[C@H](C)O[C@H](C)C2)c1 95984564 FKLIRHXAEBLLSP-QLFBSQMISA-N 320.433 2.372 0 40 DEAB Cc1nsc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)n1 280136924 BOWWFEWUNAYPOW-GASCZTMLSA-N 300.431 2.415 0 40 DEAB Cc1csc2c(N3CCN(c4ncccn4)CC3)ncnc12 189966226 GNCNNCZMOUVECK-UHFFFAOYSA-N 312.402 2.116 0 40 DEAB Cc1nc2ccc(NC(=O)[C@H](NC(N)=O)C(C)C)cc2s1 14093651 UXHXEOVYZYDZAD-GFCCVEGCSA-N 306.391 2.236 0 40 DEAB CCC[C@@H](c1nnnn1C1CCCC1)N1CCN(CC)CC1 19501865 LOODVCQLLHNYLQ-HNNXBMFYSA-N 306.458 2.267 0 40 DEAB O=C1NCCC[C@@H]1N1CCC(COc2ccncc2Cl)CC1 1848728261 GGAOXVBOFJKVAE-AWEZNQCLSA-N 323.824 2.104 0 40 DEAB CC(=O)N1CC[C@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835918 JPYMFTLCHVHDDL-NSHDSACASA-N 303.391 2.321 0 40 DEAB CN1C[C@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]2OCC1=O 2037984386 ZJPQCPHSYMEAAM-ZFWWWQNUSA-N 308.809 2.019 0 40 DEAB CS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccco3)cc21 5136769 GCZPAAWNSVMNNC-UHFFFAOYSA-N 320.370 2.244 0 40 DEAB C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)N1CCCCC1)C(=O)N2 4029212 LXRVJTYVYXVCNN-QIIPPGSGSA-N 314.385 2.027 0 40 DEAB biogenic Cn1cc(CCC(=O)NCc2cccc(N3CC=CC3)c2)cn1 102738616 WLYAQNJBNPDMRV-UHFFFAOYSA-N 310.401 2.045 0 40 DEAB C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccc2c(c1)OCCO2 249069437 XMAZCWQNSWDCFV-SGMGOOAPSA-N 320.389 2.386 0 40 DEAB O=C(NC1CC1)c1ccc2c(=O)n(-c3ccccc3)cnc2c1 32072273 ZKVBVVPWHBDUSF-UHFFFAOYSA-N 305.337 2.278 0 40 DEAB CC[C@@H](CO)NC(=O)c1csc(-c2ccc(OC)cc2)n1 32802042 RATAKUFJYDWXKZ-NSHDSACASA-N 306.387 2.319 0 40 DEAB CCOc1cccc(C(=O)Nc2ccc(-n3cnnn3)cc2)c1 21789158 MNJAIRYIVXISHY-UHFFFAOYSA-N 309.329 2.313 0 40 DEAB CCOc1ccc(OCCN2CCC[C@@H]2C(=O)NC2CC2)cc1 54985529 KOTUSXLXQFGWCM-QGZVFWFLSA-N 318.417 2.207 0 40 DEAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 9154824 PVQLITPBPYRHDK-MRVPVSSYSA-N 307.293 2.079 0 40 DEAB COCCCNC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 47806810 JPQFQLUQWXJMAK-OKILXGFUSA-N 321.421 2.458 0 40 DEAB CC(C)(C)C(=O)NCc1ccc(C(=O)NC[C@H]2CCOC2)cc1 78870126 WASJAKFPNDZVJF-CQSZACIVSA-N 318.417 2.115 0 40 DEAB C[C@H](C(=O)Nc1ccc(Br)cc1)N1CCOCC1 25266233 YOVNWOWQXFSPNT-SNVBAGLBSA-N 313.195 2.108 0 40 DEAB COc1cccc(-c2noc(C(=O)NCc3ccccn3)n2)c1 1428160 YHJGSLFBPPXIIR-UHFFFAOYSA-N 310.313 2.070 0 40 DEAB COC(=O)c1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 4305300 GKDUQVYCDVXQRK-HGSJOUDDSA-N 311.337 2.175 0 40 DEAB CC(C)Oc1ccccc1CNC(=O)NC[C@H](O)C(F)(F)F 57219380 VHRHJHXGZFYSMC-LBPRGKRZSA-N 320.311 2.196 0 40 DEAB Cc1cccc(OCCNS(=O)(=O)c2ccc(F)cc2)c1 8508415 APTZGZVLKNDNGP-UHFFFAOYSA-N 309.362 2.491 0 40 DEAB Cc1noc([C@@H](C)N2CCN(C(=O)c3cccc(F)c3)CC2)n1 27464945 SNOBKOXTCOYHKI-LLVKDONJSA-N 318.352 2.036 0 40 DEAB CNC(=O)c1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1 97159165 XXWXTKQJQFNPBS-UHFFFAOYSA-N 300.406 2.357 0 40 DEAB Cc1cc(NC(=O)C(=O)CC(=O)c2ccc(Cl)s2)no1 104273627 CHHCUVNWAKNRBR-UHFFFAOYSA-N 312.734 2.479 0 40 DEAB C[C@H](NC(=O)NCc1cccnc1)c1ccc(-n2cncn2)cc1 44889600 KDVIOJAXSZCGBP-ZDUSSCGKSA-N 322.372 2.223 0 40 DEAB COc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cn1 58231002 QVZSNJOWQMMVNB-UHFFFAOYSA-N 313.313 2.299 0 40 DEAB C[C@@H](SC[C@H](O)c1ccccc1)C(=O)NC(=O)NC(C)(C)C 58278277 JGEKHAATZCISKI-YPMHNXCESA-N 324.446 2.466 0 40 DEAB C[C@H](C(=O)NCc1ccc(Oc2ccccc2)nc1)n1cncn1 58265864 KNVVIDCSHYVEJJ-CYBMUJFWSA-N 323.356 2.343 0 40 DEAB Cc1ccc(NCCCNc2cncc(-n3cccn3)n2)nc1 44976536 PBNZPGZOLRNVKE-UHFFFAOYSA-N 309.377 2.280 0 40 DEAB CCCN(C)c1ccc(C(=O)N[C@H](C)C(=O)N2CCCC2)cc1 58326776 VCXCXKXSFXUPJU-CQSZACIVSA-N 317.433 2.274 0 40 DEAB CN(C)c1cccc(C(=O)NCCC(=O)N2CCCCCC2)c1 58357727 ZSYPAPBLFGTPOD-UHFFFAOYSA-N 317.433 2.275 0 40 DEAB C[C@@H](CC(=O)N1CCC(NC(=O)c2cccnc2)CC1)C1CC1 58412081 ZPLZDADNEYCDIP-ZDUSSCGKSA-N 315.417 2.239 0 40 DEAB CCOC(=O)N1CCC(C(=O)N[C@@H](C)c2ccccn2)CC1 28780700 STGRDKOTRKRTJI-LBPRGKRZSA-N 305.378 2.127 0 40 DEAB CN(C[C@H]1COc2ccccc2O1)C(=O)NCc1ccoc1 47087611 CTWIOBBEEJQBQQ-ZDUSSCGKSA-N 302.330 2.261 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1 47399720 UGLKAQZQJGRCAJ-NSHDSACASA-N 312.316 2.316 0 40 DEAB NC(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 95427361 OIHNCBGXYDTCQC-HNNXBMFYSA-N 316.401 2.397 0 40 DEAB CN(C)c1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1 3318598 FMSPEDKPDWDUGJ-UHFFFAOYSA-N 304.390 2.312 0 40 DEAB COc1cc(C)c(NC(=O)c2cnn3cccnc23)cc1OC 13005160 HZBPBSPJNHIJLM-UHFFFAOYSA-N 312.329 2.307 0 40 DEAB CCOc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C)C3)C2=O)cc1 13404075 RYXOJVLTKNOQBB-CZUORRHYSA-N 316.401 2.449 0 40 DEAB COc1ccc(CC(=O)Nc2ccc3nc[nH]c(=O)c3c2)cc1 63829210 FWXMBUNXYXOPPM-UHFFFAOYSA-N 309.325 2.113 0 40 DEAB biogenic COc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1OC 9358067 WQCLCLYSSQOLME-GHXNOFRVSA-N 321.358 2.348 0 40 DEAB CC(C)(C)OC(=O)N1C[C@H](Cc2ccccn2)C[C@H]1C(=O)O 4222933 IXIPKNSPXKSQNO-YPMHNXCESA-N 306.362 2.334 0 40 DEAB Cc1ccc(CNC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 5243781 CFBMTWMMCWJYJK-UHFFFAOYSA-N 321.380 2.101 0 40 DEAB CN(C)S(=O)(=O)c1cccc(C(=O)NCC2CCCCC2)c1 6378989 KOQGPMQKLCHRBT-UHFFFAOYSA-N 324.446 2.247 0 40 DEAB CCCCNC(=O)NC(=O)CN1CC[C@H](c2ccccc2)C1 65500375 GIZRIAFLYNJJBR-HNNXBMFYSA-N 303.406 2.102 0 40 DEAB COc1ccc(Cl)cc1NCC(=O)N[C@@H](C)[C@@H]1CCCO1 65623984 CRDBGWFCULAZOW-GWCFXTLKSA-N 312.797 2.444 0 40 DEAB COCCN1CCC[C@@H]1CNC(=O)CCCc1ccccc1 65622075 LMTMJAXJKKLWAB-QGZVFWFLSA-N 304.434 2.236 0 40 DEAB CNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 14406262 NPPCBDYCZFWTFJ-CQSZACIVSA-N 323.352 2.111 0 40 DEAB CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cc(OC)ccc1OC 6658141 FUNLJWYYZRTVLO-IAQYHMDHSA-N 307.346 2.088 0 40 DEAB O=C(CCCn1cnc2ccccc2c1=O)Nc1nccs1 6755194 IFYSFZDRXMAKMP-UHFFFAOYSA-N 314.370 2.272 0 40 DEAB COC(=O)c1cc(N)c(Cl)cc1I 62350393 KTZSJBFLWWAEHG-UHFFFAOYSA-N 311.506 2.313 0 40 DEAB O=C(N[C@@H]1CCc2nccn2C1)[C@@H]1SCCc2ccccc21 72298531 PPSWOPUBJGEIEK-CZUORRHYSA-N 313.426 2.345 0 40 DEAB NC(=O)c1csc(C(=O)N[C@H]2CCc3ccc(F)cc32)c1 71883428 DUNBCICADDVDFK-LBPRGKRZSA-N 304.346 2.403 0 40 DEAB NS(=O)(=O)c1ccc(F)c(C(=O)OCC2CCCCC2)c1 7124231 LFLAWRGCWXLTPL-UHFFFAOYSA-N 315.366 2.210 0 40 DEAB Cc1noc([C@@H](C)NC(=O)[C@H](C)N2CCc3ccccc3C2)n1 71893314 VRCVGESLYPAMRL-NEPJUHHUSA-N 314.389 2.002 0 40 DEAB CCc1nc([C@H](C)NC(=O)NCCCc2cnn(C)c2)cs1 71897760 BPSNYGLOKPWNRG-NSHDSACASA-N 321.450 2.432 0 40 DEAB Cc1ccc(CCCCC(=O)N2CCCS(=O)(=O)CC2)cc1 71896570 RWTGNRRESNNRRU-UHFFFAOYSA-N 323.458 2.355 0 40 DEAB COC(=O)c1ccccc1NC(=O)COC(=O)c1ccoc1C 7847576 FHZRLCWHFMJILF-UHFFFAOYSA-N 317.297 2.170 0 40 DEAB CCN1CCCC[C@H]1C(=O)N1CCC[C@@H]1Cn1cc(C)cn1 71869897 OZNXXZGFLBYEPP-CVEARBPZSA-N 304.438 2.057 0 40 DEAB CC(=O)Nc1cccc(NC(=O)COc2cc(C)c(C)nn2)c1 71883953 RKGYCLXXTFYWAY-UHFFFAOYSA-N 314.345 2.069 0 40 DEAB CN1N=C(C(=O)NCc2ccc(Cl)cc2Cl)CCC1=O 16706257 ATYIOOZIVBZGAW-UHFFFAOYSA-N 314.172 2.218 0 40 DEAB COc1cc(OC)c(NC(=O)N[C@@H](C)[C@@H](C)CO)cc1Cl 71921084 JPRKNGVAYGXRTN-IUCAKERBSA-N 316.785 2.496 0 40 DEAB Cc1ccc(NC(=O)NC[C@H](c2cnn(C)c2)N(C)C)c(C)c1 71910900 DKOPMISVNMCEQR-MRXNPFEDSA-N 315.421 2.461 0 40 DEAB O=C(CS(=O)(=O)C/C=C/c1ccccc1)N1CCCCC1 69493660 OHPCYWIHCYKHMP-JXMROGBWSA-N 307.415 2.127 0 40 DEAB COc1ccc2c(c1)CCN2C(=O)c1ccc(N2CCCC2)nn1 69422729 RUNQMFSVJGSBNO-UHFFFAOYSA-N 324.384 2.288 0 40 DEAB COCc1c(C(=O)NCC(=O)N(C)C)sc2cccc(F)c12 8402377 WVVRIMHGJDAGSF-UHFFFAOYSA-N 324.377 2.005 0 40 DEAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)COc1cccc(F)c1 69557594 BGIONMRZXLGCBQ-HOTGVXAUSA-N 306.381 2.290 0 40 DEAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCn3c(C)nnc3C2)s1 69528896 QPGUWAUVRZJQLX-NEPJUHHUSA-N 302.403 2.102 0 40 DEAB Cc1[nH]c2ccc(CNc3nc4c(cnn4C)c(=O)[nH]3)cc2c1C 69563739 ITMMLGKTNIOWEW-UHFFFAOYSA-N 322.372 2.367 0 40 DEAB Cc1ccc(S(=O)(=O)NCCSc2ccccn2)cc1 20461250 IUNBHOKEALSUEF-UHFFFAOYSA-N 308.428 2.461 0 40 DEAB O=C(c1ccc(-n2ccnc2)cc1)N1CCC[C@@H]1Cn1cccn1 69744000 LVQLSKLGPDDJSN-QGZVFWFLSA-N 321.384 2.374 0 40 DEAB CCCNC(=O)C[S@@](=O)Cc1ccc(Br)s1 69744865 ZDLOAWOAWCCUBV-MRXNPFEDSA-N 324.265 2.286 0 40 DEAB Cc1noc2ncc(NC(=O)c3n[nH]c4ccccc4c3=O)cc12 72287876 RITDFLXVEUQCAS-UHFFFAOYSA-N 321.296 2.020 0 40 DEAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)c2ccc[nH]2)C1=O 72287151 XUJAVTJEUQSROC-CQSZACIVSA-N 315.348 2.388 0 40 DEAB O=C(Cn1nc2c(cc1=O)CCCC2)Nc1ccc(F)cc1F 8600514 OHNSQFIGDNDWLT-UHFFFAOYSA-N 319.311 2.039 0 40 DEAB CCC[C@@H](O)CC(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 69974242 GVUZBTXNOGHHON-GXTWGEPZSA-N 305.374 2.059 0 40 DEAB C[C@@H](Cn1cccn1)N[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 69952161 SLEVCEFHLYCABM-KBPBESRZSA-N 318.396 2.047 0 40 DEAB CC(=O)N1CC([C@H]2CN(C(=O)c3ccncc3)c3ccccc32)C1 306129403 ICAOEHPCPXAIBH-QGZVFWFLSA-N 321.380 2.304 0 40 DEAB CC(=O)c1ccc(C(=O)NCc2ccc(CO)c(F)c2)cc1 95395243 DSLHYOHFTHAUQZ-UHFFFAOYSA-N 301.317 2.451 0 40 DEAB Cn1cc(NC(=O)c2ccsc2)cc(Br)c1=O 88213944 YRRWTABHINBVOT-UHFFFAOYSA-N 313.176 2.462 0 40 DEAB COc1cccc(OCC(=O)Nc2cc(C)cnc2OC)c1 95963000 VXRDEELHGCGSRK-UHFFFAOYSA-N 302.330 2.425 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)c2ccc(OC)cc2)[C@@]12CCCO2 95940076 UVZVWSMVMZJTLR-UXLLHSPISA-N 305.374 2.152 0 40 DEAB O=S(=O)(NCC1C2CC3CC(C2)CC1C3)C1CCOCC1 95978095 YIOKMADCGXLWHL-UHFFFAOYSA-N 313.463 2.157 0 40 DEAB Cc1nn2cccnc2c1C(=O)OCc1cccc2nccn12 89534556 KRRPNTBRSPHCGA-UHFFFAOYSA-N 307.313 2.042 0 40 DEAB Cc1ccc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c(=O)[nH]1 75122479 MSYCOPFPSRWHEV-AWEZNQCLSA-N 316.332 2.466 0 40 DEAB Cc1cccc(-c2ccc(C(=O)NC[C@H]3CCOC3)c(=O)[nH]2)c1 75117626 XNJLNIKMIFDMFI-CYBMUJFWSA-N 312.369 2.117 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)o1 89652378 LHUKCHMXDORZDB-QGHHPUGFSA-N 319.405 2.130 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)OC[C@@H]1CCCN1C(N)=O 76090610 CUZDMGMUGKWTHD-NSHDSACASA-N 301.346 2.176 0 40 DEAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC[C@@H]3CCCO3)c12 27397260 HSXOPZBFUTUEKB-LBPRGKRZSA-N 314.389 2.063 0 40 DEAB Cn1ccnc1[C@H]1OCC[C@@H]1NC(=O)NCC1(C2CC2)CCC1 548017902 WUCCYALKEBTUGX-KBPBESRZSA-N 318.421 2.130 0 40 DEAB CN(C(=O)C(=O)Nc1cc(F)cc(Cl)c1)[C@@H]1CCSC1 127310664 QIXGLRGEHHGJGJ-LLVKDONJSA-N 316.785 2.382 0 40 DEAB CCOC(=O)NC[C@H]1c2ccccc2CCN1C(=O)OCC 3845812 KNHLASXASPSBHB-AWEZNQCLSA-N 306.362 2.488 0 40 DEAB biogenic CCOCCCNc1cc(C)nc2cc(-c3nccn3C)nn12 72338486 GEDMUYGVLMYNKJ-UHFFFAOYSA-N 314.393 2.277 0 40 DEAB O=C(C[C@@H](c1ccccc1)[C@H]1CCCCN1)N1CCOCC1 72208334 YRTFWNXRJFIOKG-DLBZAZTESA-N 302.418 2.161 0 40 DEAB O=C(NCc1ccccc1F)C1CCN(c2ncccn2)CC1 35291023 CJEVIUZSAMVNPK-UHFFFAOYSA-N 314.364 2.149 0 40 DEAB CC(C)C[C@H]1COCCN1C(=O)NCCCCn1ccnc1 73042970 GFEGXCARNUTPOC-HNNXBMFYSA-N 308.426 2.120 0 40 DEAB CCOCCCNC(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccs1 72238140 FPYLULJBMJOQED-SWLSCSKDSA-N 324.446 2.200 0 40 DEAB CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2ccccc2O)C1 78394422 XWAMSWUKRAIFBR-LBPRGKRZSA-N 320.389 2.379 0 40 DEAB C[C@@H]1CN(Cc2ccc(Oc3ccccc3)o2)C[C@@H](C(N)=O)O1 180496704 NMLAIMWXLVHADP-DOMZBBRYSA-N 316.357 2.147 0 40 DEAB CNC(=O)CC1CCN(Cc2cc(C(=O)O)sc2C)CC1 572295932 GDJVWWHKXBAQPX-UHFFFAOYSA-N 310.419 2.103 0 40 DEAB Cc1noc([C@H](NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)C(C)C)n1 195564955 UPMSEFJDEMJZLM-BFHYXJOUSA-N 322.409 2.332 0 40 DEAB C[C@@]1(C(=O)N2CCSCC2)Sc2ccccc2NC1=O 40773880 JCBGDJPONZTFBR-CQSZACIVSA-N 308.428 2.065 0 40 DEAB O=C(c1ccco1)N1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96158262 YYHOKJXVWDRIQJ-KRWDZBQOSA-N 312.373 2.202 0 40 DEAB CCc1cc(NC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)[nH]n1 96436244 MNALNANSTAWESC-OLZOCXBDSA-N 313.357 2.486 0 40 DEAB COC(=O)N1CCC(N[C@H](C)Cc2ccccc2OC)CC1 95420811 GTPDCORHOIIZHR-CYBMUJFWSA-N 306.406 2.447 0 40 DEAB COCc1cnc2n1CCN(C(=O)c1cc(C3CC3)on1)[C@@H]2C 96109648 QYAZHUCKVRWRLY-SNVBAGLBSA-N 316.361 2.112 0 40 DEAB Cn1nc(CNC(=O)COc2ccccc2F)cc1C1CC1 96099307 QYCUIKROLQOWRN-UHFFFAOYSA-N 303.337 2.132 0 40 DEAB O=C1[C@@H]2CCN(CC3CC3)C[C@@H]2OCCN1c1ccsc1 96107145 QLLQLDSDLFCBQG-CABCVRRESA-N 306.431 2.212 0 40 DEAB C[C@@H](c1ccccc1F)N(C(=O)CSCC(N)=O)C1CC1 96411217 BIVGLPMFCCHQFA-JTQLQIEISA-N 310.394 2.096 0 40 DEAB COCCN1CCOCC12CCN(Cc1cccc(F)c1)CC2 96074605 AXHXVSFQQPWVOY-UHFFFAOYSA-N 322.424 2.139 0 40 DEAB Cc1ccc(CCNC(=O)NCCCn2cc(C)cn2)cc1 96407810 XWSBPSFRGZPHRO-UHFFFAOYSA-N 300.406 2.432 0 40 DEAB C[C@@H]1CCCN1C(=O)c1n[nH]c2c1CN(Cc1ccco1)CC2 96187406 TWKBYNUTLXSUDU-GFCCVEGCSA-N 314.389 2.186 0 40 DEAB Cc1ccc2nc3n(c2c1)[C@@H](CNC1CCOCC1)COC3 96112831 OFDRLDRYYMBODJ-AWEZNQCLSA-N 301.390 2.185 0 40 DEAB biogenic,in-vitro COc1cc([C@@H](OCC(=O)O)C(F)(F)F)cc(OC)c1OC 95096384 IIUMXURAMXMOGH-GFCCVEGCSA-N 324.251 2.417 0 40 DEAB O=C(c1ccco1)N1CCCC12CCN(c1ncccn1)CC2 96049336 WAPAFOTVRRTXPX-UHFFFAOYSA-N 312.373 2.345 0 40 DEAB CC(C)N1CC[C@H](NC(=O)CO)[C@@H]1c1ccc(Cl)c(F)c1 96495266 LAENHQULVLWBOP-ZFWWWQNUSA-N 314.788 2.111 0 40 DEAB O=C(CC1(O)CCCCC1)N1CCN(Cc2ccco2)CC1 95405490 XZERBGXENAZWDL-UHFFFAOYSA-N 306.406 2.009 0 40 DEAB C[C@@H]1CN(C[C@H](O)COCC[C@H]2C[C@H]3CC[C@H]2C3)C[C@@H](C)O1 252504461 BTWIPZIBMYFMPI-ZMSHIADSSA-N 311.466 2.299 0 40 DEAB CNc1cc(C)nc([C@@H]2COCCN2Cc2csc(C)n2)n1 257207159 BGPGKYAHAHNJCG-ZDUSSCGKSA-N 319.434 2.165 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@@H]1c1ccnc(O)n1 257330748 XPSFNDGLJJYQGB-CQSZACIVSA-N 313.357 2.097 0 40 DEAB O=C(c1ccco1)N1CCN(c2nc3cccnc3s2)CC1 64955257 SRJMBZSHPTYHLH-UHFFFAOYSA-N 314.370 2.247 0 40 DEAB CC(C)Cc1cc(C(=O)NCc2ccc(C(=O)O)o2)cc(O)n1 262787235 PALLCDNLYHGGEI-UHFFFAOYSA-N 318.329 2.207 0 40 DEAB O=C(NC1CCCC1)N1CC(S(=O)(=O)C2CCCCC2)C1 96121937 MTYUDJBMNQDDNN-UHFFFAOYSA-N 314.451 2.070 0 40 DEAB CCOCC(=O)N1CCc2[nH]nc(-c3ccc(C)cc3)c2CC1 585110393 OVRKHWHHTMDOJJ-UHFFFAOYSA-N 313.401 2.349 0 40 DEAB O=C(CCNC(=O)c1ccoc1)Nc1nc(C2CC2)cs1 30850708 INMQRZQFJNEWFB-UHFFFAOYSA-N 305.359 2.372 0 40 DEAB CN(C)C(=O)C(C)(C)NC(=O)c1ccc2[nH]c(=S)oc2c1 73476286 ADUQVRGJBSWZRE-UHFFFAOYSA-N 307.375 2.087 0 40 DEAB C[C@@H](C(=O)Nc1ccccc1SC(F)F)S(C)(=O)=O 78674959 ASIKPUCVYPDXNN-ZETCQYMHSA-N 309.359 2.373 0 40 DEAB CCOC(=O)C1CCN(Cc2cnn(-c3ccccc3)n2)CC1 60977424 ZIWXIXPQGDHXBW-UHFFFAOYSA-N 314.389 2.042 0 40 DEAB O=C(O)[C@H](CCc1ccccc1)N1CC[C@H](c2ncccn2)C1 1574346694 SUXLGRZNRYWXJO-HOTGVXAUSA-N 311.385 2.352 0 40 DEAB CCCN(CC(F)(F)F)C(=O)Cn1nnc2ccccc21 59252899 DGJJSKDCGKDAQG-UHFFFAOYSA-N 300.284 2.232 0 40 DEAB CCCn1nc(-c2ccc(OCC)cc2)cc(C(=O)O)c1=O 82461964 CCDYUMPILCTJDN-UHFFFAOYSA-N 302.330 2.417 0 40 DEAB COc1ccc(S(=O)(=O)Nc2cc(C)on2)c(C)c1F 97083733 UBJVHFYFIISLGG-UHFFFAOYSA-N 300.311 2.240 0 40 DEAB CCc1cccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 102636488 MUDZBADMEFEEOJ-GJZGRUSLSA-N 314.385 2.363 0 40 DEAB COc1ccc(N2C(=O)C[C@H](NC3CCC(C)CC3)C2=O)cc1 17746971 RLKIPKNDFSNFRW-ZUEPYMLJSA-N 316.401 2.495 0 40 DEAB CCn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21 19936820 OXSLLOAQXOBXIU-UHFFFAOYSA-N 324.402 2.179 0 40 DEAB C[C@H]1CNCC[C@]1(O)Cc1cc(F)cc(Br)c1 169205798 YEGMEWWFCQQOSG-ZANVPECISA-N 302.187 2.491 0 40 DEAB CC(C)CCNC(=O)CSc1nnc2[nH]c3ccccc3n12 3599124 PZRAAHBSCSPIAY-UHFFFAOYSA-N 317.418 2.465 0 40 DEAB Cc1nc(C)c(F)c(OCC2CCN(c3ncccn3)CC2)n1 1888859557 QXCMIOFOGRIQRW-UHFFFAOYSA-N 317.368 2.318 0 40 DEAB COc1cccc2cc(C(=O)N3CC[C@@H](c4ncon4)C3)oc12 244955786 FZTZQKUTLYSKIF-LLVKDONJSA-N 313.313 2.454 0 40 DEAB O=C(NCc1cccs1)NC1CCN(c2cnsn2)CC1 1565523032 FGTVEEFVQWYSKR-UHFFFAOYSA-N 323.447 2.068 0 40 DEAB O=C(CCc1ccccc1)Nc1ccc2c(c1)C(=O)NCCO2 9171828 UWMQZZBELWDHHZ-UHFFFAOYSA-N 310.353 2.380 0 40 DEAB COc1cccc([C@H](CNc2ncnc3c2cnn3C)OC)c1 528067840 LKFLRGQJQZJFHP-AWEZNQCLSA-N 313.361 2.172 0 40 DEAB Cn1cc([C@H]2CCCCN2S(=O)(=O)c2ccccc2)cn1 431738912 JUTNRLQYWMRNJR-OAHLLOKOSA-N 305.403 2.336 0 40 DEAB CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 11691604 KWSQAYDNAPKZJE-UHFFFAOYSA-N 304.371 2.118 0 40 DEAB Cn1ncc(NC[C@@H](O)c2ccc(Cl)cc2)c(Cl)c1=O 30860322 CCWVKDPSKOVCFS-LLVKDONJSA-N 314.172 2.233 0 40 DEAB Cc1sc(NC(=O)c2ccccc2C(=O)O)c(C(N)=O)c1C 45826 OPQDHGPIIGVNSA-UHFFFAOYSA-N 318.354 2.414 0 40 DEAB Nc1nc(Cl)cc(N2CCO[C@H](c3ccc(F)cc3)C2)n1 40497809 ARRMBKOZNMZLQM-NSHDSACASA-N 308.744 2.429 0 40 DEAB CCN(CC(=O)N(C)C)Cc1nc(-c2ccc(Cl)cc2)no1 51790854 NFKGPYJHLSGJDL-UHFFFAOYSA-N 322.796 2.300 0 40 DEAB CN(Cc1nc2c(cnn2C)c(=O)[nH]1)Cc1ccc(Cl)s1 52799194 RMPBVUVFJBWCEQ-UHFFFAOYSA-N 323.809 2.004 0 40 DEAB Cc1ccc(-c2noc(CCC(=O)NC[C@@H]3CCOC3)n2)cc1 41371923 PNHQOHGAYXHVJO-ZDUSSCGKSA-N 315.373 2.130 0 40 DEAB COc1ccc(/C=C/C(=O)/N=c2/sccn2C)c(OC)c1 102842736 DUXRTSFTRJOEDD-RUQJNATLSA-N 304.371 2.245 0 40 DEAB COc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2Cc1ccccc1 1077736 BCHFYZHGLDKKHP-QGZVFWFLSA-N 310.353 2.419 0 40 DEAB O=C(CN1C(=O)CCC1=O)Nc1ccc(Cl)cc1Cl 3351989 HAQJQQBFGPHFFH-UHFFFAOYSA-N 301.129 2.081 0 40 DEAB C[C@@H]1CCCN(CC(=O)Nc2ccccc2N2CCOCC2)C1 3564834 YONHRQBVDKXPQW-OAHLLOKOSA-N 317.433 2.194 0 40 DEAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3[nH]2)cc1 3850503 UOVYEVDDFHZFSM-UHFFFAOYSA-N 303.343 2.372 0 40 DEAB CCn1c(=O)n(CC(=O)N[C@@H](C)c2ccccn2)c2ccccc21 25405650 HPGKXTFMWHMEKZ-ZDUSSCGKSA-N 324.384 2.095 0 40 DEAB Cn1cnc(S(=O)(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1Cl 35221417 GDCMDIKBZIDEAG-QWRGUYRKSA-N 317.842 2.417 0 40 DEAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)Nc1cc(-c2nccn2C)n[nH]1 108123505 WPUVSQCGQQWGMJ-GRYCIOLGSA-N 316.409 2.010 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)NCCCn1cccn1 44968407 UCUSDXSEAFQZSW-LBPRGKRZSA-N 320.368 2.481 0 40 DEAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)n2cncn2)cc1OC 44943027 POJFXTPZNLOKBM-NWDGAFQWSA-N 318.377 2.042 0 40 DEAB Cc1nn(C)c(Oc2ccccc2)c1CNCCC(=O)N(C)C 58420560 WMPPJNXQMWFOHV-UHFFFAOYSA-N 316.405 2.089 0 40 DEAB COC(=O)[C@H](C)Oc1ccc(NC(=O)CCCCCO)cc1 114671922 YOTZJRWFKNPYJN-LBPRGKRZSA-N 309.362 2.118 0 40 DEAB O=C(CNC(=O)c1ccccc1)N[C@@H]1CCOc2ccccc21 28665261 PHYZQXLPPDNKPS-OAHLLOKOSA-N 310.353 2.056 0 40 DEAB Cc1nc([C@@H](NC(=O)NCc2cccnc2)c2ccccc2)n[nH]1 72274167 UZYSWEQZURILIW-HNNXBMFYSA-N 322.372 2.097 0 40 DEAB O=C(NCC(F)(F)F)[C@@H]1CCCN1Cc1ccc(F)cc1 72273024 QYHSPSKOXSDRPU-LBPRGKRZSA-N 304.287 2.469 0 40 DEAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1CCN(C)CC1 22030762 HDSXDWIYKQEUAP-HZPDHXFCSA-N 306.450 2.187 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29308236 VFDHEWXDASKCAK-APPZFPTMSA-N 302.783 2.306 0 40 DEAB CS(=O)(=O)Nc1ncn(Cc2c(Cl)cccc2Cl)n1 2770884 OEPBYEDEGRWOGI-UHFFFAOYSA-N 321.189 2.005 0 40 DEAB C[C@@H]1Sc2ccccc2N(S(=O)(=O)c2c[nH]cn2)[C@@H]1C 97166090 CTKKXPKUXQBBSO-ZJUUUORDSA-N 309.416 2.488 0 40 DEAB COC(=O)[C@]1(C)[C@H]2C=C[C@@H]3C2C2[C@H](C=C[C@H]21)[C@@]3(C)C(=O)OC 104286906 TVORUACKVGFVBB-WVAGOBGGSA-N 302.370 2.209 0 40 DEAB Cc1cc(C(=O)NC[C@@H](O)C2CC2)nn1-c1ccccc1Cl 95989160 YMBMLWZUJIITRB-OAHLLOKOSA-N 319.792 2.335 0 40 DEAB Cc1nc(C2CCN(C(=O)c3ccc(C)c(O)c3)CC2)no1 97235337 KLSFLOVXRWHILO-UHFFFAOYSA-N 301.346 2.412 0 40 DEAB O=C(COc1ccccc1)N1C[C@H]2CC[C@H]1[C@@H]2OCC1CC1 107265591 KKYGCSMDZIVCGO-UWWQBHOKSA-N 301.386 2.481 0 40 DEAB Cc1cc(NC(=O)[C@H](NC[C@@H]2CCCO2)c2ccccc2)no1 97495049 IOVFYOGHQZNLPJ-GOEBONIOSA-N 315.373 2.431 0 40 DEAB CN(C)C(=O)[C@@H]1CC[C@H](CN[C@@H]2CCSc3ccccc32)O1 95985159 FFKVEEQUKSSWAT-YUELXQCFSA-N 320.458 2.449 0 40 DEAB C[C@H](CNC(=O)C1(O)CCSCC1)c1ccc(F)cc1F 95979436 QKWJBYHWNAWJTC-SNVBAGLBSA-N 315.385 2.443 0 40 DEAB CSc1ccc(Cl)c(C(=O)N2CCC(C(N)=O)CC2)c1 3356263 IOMQLOAHUNMWSH-UHFFFAOYSA-N 312.822 2.399 0 40 DEAB Cc1[nH]c(C(=O)O[C@@H]2C[C@@H](C)OC2=O)c(C)c1C(=O)OC(C)C 95377699 WTXPWIYVDBNRFB-LDYMZIIASA-N 323.345 2.058 0 40 DEAB COCc1cc(CC2(NCc3ccc(F)cc3)COC2)no1 67897968 LHSMQWCLBHYYOH-UHFFFAOYSA-N 306.337 2.061 0 40 DEAB biogenic,in-vitro C[C@@]1(C(=O)O)CCN(C(=O)c2ccc(Br)s2)C1 62912756 JHMBUMJAVLMKGR-LLVKDONJSA-N 318.192 2.447 0 40 DEAB Cc1nc([C@H]2CCCCCN2S(=O)(=O)c2ccccn2)no1 96000597 NCMXNULOAOVDHY-GFCCVEGCSA-N 322.390 2.079 0 40 DEAB COc1cc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)O)ccc1O 4090702 YKXOGYHXPMDNJC-PZBABLGHSA-N 307.346 2.030 0 40 DEAB biogenic CCCCOC(=O)CN1C(=O)N[C@@](CC)(c2ccccc2)C1=O 4305873 FYKZYKOVRWROFZ-KRWDZBQOSA-N 318.373 2.187 0 40 DEAB Cc1ccc2ncc(CN3CC[C@@H](Cc4cnn(C)c4)C3)n2c1 93870667 QZCIVEXWDLDZQP-HNNXBMFYSA-N 309.417 2.441 0 40 DEAB COc1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 6610337 HBCXFXXXSYFVID-UHFFFAOYSA-N 319.382 2.280 0 40 DEAB CC[C@H]1[C@H](c2ccc(C)cc2)CCN1CCN1C(=O)CNC1=O 95404906 SZEQHNXGXCSYTD-HOTGVXAUSA-N 315.417 2.115 0 40 DEAB CN1C(=O)c2ccccc2O[C@]12C=Cc1ccc(O)c(C=O)c1O2 9426246 NITNTIZUUZVRMY-SFHVURJKSA-N 323.304 2.429 0 40 DEAB CCCNC(=O)[C@@H](C)SCc1cc(=O)n2cc(C)ccc2n1 15491597 DPXSXIKWLRCTSF-GFCCVEGCSA-N 319.430 2.151 0 40 DEAB Cc1ccc2cccc(C(=O)NCc3cnc(N(C)C)n3C)c2n1 96420825 YOKIDGBQZHYRCJ-UHFFFAOYSA-N 323.400 2.273 0 40 DEAB Nc1nc(C(F)(F)F)cc2c1[nH]c(=O)n2Cc1ccccc1 68249167 OQBWPSLLJDBFNI-UHFFFAOYSA-N 308.263 2.374 0 40 DEAB investigational COC(=O)[C@@H](NC(=O)Cc1ccc(C)c(C)c1)c1ccccn1 81171466 DBVGODRBKRJAPA-KRWDZBQOSA-N 312.369 2.271 0 40 DEAB Cc1cccnc1NC(=O)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 68865812 OLJTXGZFIZMUPZ-UHFFFAOYSA-N 321.336 2.401 0 40 DEAB CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H](C(=O)O)C2)CC1 91303011 PBDGHRIEAPWNQU-GFCCVEGCSA-N 312.410 2.183 0 40 DEAB in-vitro Cc1cc(C)n(C[C@@H]2CN([C@@H](C)c3cccnc3)CCO2)n1 69377665 LGPTZOVMOJHXOE-RDJZCZTQSA-N 300.406 2.357 0 40 DEAB CCC(=O)NCC(=O)N1CCC(Cc2ccccc2OC)CC1 69457549 GEOURLANEODQHU-UHFFFAOYSA-N 318.417 2.003 0 40 DEAB COc1ccccc1/C=C/c1nn2c(=O)c(C)nnc2s1 8400856 XLOKXZUOVYOPLN-BQYQJAHWSA-N 300.343 2.033 0 40 DEAB O=C(Cc1cccs1)NCCNC(=O)CC1CCCCC1 69519774 HIDQCQALDRMCCS-UHFFFAOYSA-N 308.447 2.493 0 40 DEAB Cc1cccc2nc(CCN3C(=O)c4ccccc4C3=O)cn12 73647967 ZZQOGXKARPXKRW-UHFFFAOYSA-N 305.337 2.481 0 40 DEAB Cc1cc(C(=O)N2CCCN(Cc3csc(C)n3)CC2)on1 69770227 AELBWOXKAHERIS-UHFFFAOYSA-N 320.418 2.096 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3cccc(C)n3)CC2)nn1 69896148 OAWORMFUQWFGTC-UHFFFAOYSA-N 311.389 2.205 0 40 DEAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCCN2CC)cn1C 75215617 VSSMNKCCMCTNSW-CYBMUJFWSA-N 307.394 2.015 0 40 DEAB CN1CCC[C@H](C(=O)NC(C)(C)CN(C)Cc2ccccc2)C1 89761679 PKTGDXMTAVJKAB-KRWDZBQOSA-N 317.477 2.355 0 40 DEAB O=C(N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2ccoc2)c1 89847421 TWYPIXIFGMIXRZ-OAHLLOKOSA-N 310.353 2.440 0 40 DEAB CC(C)Cc1noc(CN2CC[C@H](Oc3ccncc3)C2)n1 89856564 AZSRGBFSSKRMIN-AWEZNQCLSA-N 302.378 2.316 0 40 DEAB C[C@@H]1CN(CC(=O)NCC(F)(F)F)C[C@H](c2ccsc2)O1 89937010 INQACWDXQHFBFM-MWLCHTKSSA-N 322.352 2.188 0 40 DEAB C[C@H]1CN(C(=O)NCCN2CCSCC2)c2ccccc2O1 89941235 NLEMGKGWBKSCHQ-ZDUSSCGKSA-N 321.446 2.032 0 40 DEAB COCCn1cc(NC(=O)CO[C@H]2CCCC[C@@H]2C)ccc1=O 89927784 UQNGKZKFUSCKIL-ZFWWWQNUSA-N 322.405 2.029 0 40 DEAB CCNc1ccnc(CN2CCN(CCOC)[C@@H](CC)C2)c1 89949228 HKCBEWQVCNWUDM-KRWDZBQOSA-N 306.454 2.056 0 40 DEAB CCOC(=O)c1cnc2c(OC)cc(C)cc2c1NCCO 64874684 MFTKVDLIRRWGCP-UHFFFAOYSA-N 304.346 2.133 0 40 DEAB Cc1ncc2c(n1)CCC[C@H]2NS(=O)(=O)c1cccs1 72242699 UCBNBXMRZPZOKG-GFCCVEGCSA-N 309.416 2.202 0 40 DEAB Cn1cc([C@@H](C(=O)O)N2CCCC2)c2ccc(C(=O)O)cc21 36360825 LIHHBYFHMHMLQH-AWEZNQCLSA-N 302.330 2.098 0 40 DEAB C[C@H]1CN(c2ncc(-c3cnccn3)c(C3CC3)n2)CC[C@@H]1O 72340336 KPESEBDPNQCNKO-NHYWBVRUSA-N 311.389 2.018 0 40 DEAB C[C@@H]1CN(C)C[C@H](c2nc(-c3ccc4c(c3)CCO4)no2)O1 527542314 AMQPWWRVMCOGQA-QMTHXVAHSA-N 301.346 2.063 0 40 DEAB CSC[C@](C)(O)CNS(=O)(=O)c1cc(Cl)ccc1C 75157300 PCFBMMGVJCZSSL-GFCCVEGCSA-N 323.867 2.041 0 40 DEAB Cc1cc(C(=O)N2CC(c3nc(-c4ccsc4)no3)C2)no1 75156515 IZQJBGNMNZBQJF-UHFFFAOYSA-N 316.342 2.334 0 40 DEAB Cc1oncc1C(=O)N[C@@H](c1cccnc1)C1CCOCC1 225622147 WFTOIKIRSQUAIM-OAHLLOKOSA-N 301.346 2.276 0 40 DEAB COc1ccccc1NC(=O)NCc1nc(C)cc(N(C)C)n1 224188919 JRSDUCKVJFEUHS-UHFFFAOYSA-N 315.377 2.181 0 40 DEAB N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(F)c1 138910483 DJPAXUPAHIQLHK-NXEZZACHSA-N 320.798 2.133 0 40 DEAB COc1c(NC(=O)Nc2cccc(CN(C)C)c2)c(C)nn1C 88353092 XJPFVQCPGMKBCE-UHFFFAOYSA-N 317.393 2.443 0 40 DEAB CO[C@@H]1C[C@@H](c2nc[nH]n2)N(Cc2ccn(C3CCCC3)n2)C1 575769120 CWCAWVNEXIZVOI-CABCVRRESA-N 316.409 2.078 0 40 DEAB Cc1ccc(CC(=O)N[C@H]2CCC[C@@H]2O)cc1Br 225482002 WWNKATAWQFPMNA-STQMWFEESA-N 312.207 2.330 0 40 DEAB CNC(=O)c1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1C 47652513 MHZFQVHQYZLAFD-UHFFFAOYSA-N 318.398 2.464 0 40 DEAB C[C@H](NC(=O)[C@H]1CC(C)(C)Oc2ccccc21)c1nc[nH]n1 572700688 VYCATCGNWZZPNO-JQWIXIFHSA-N 300.362 2.327 0 40 DEAB COc1cc(N2CCCC2)nc(NC(=S)NCC(C)C)n1 225890590 XPPQAXWQRSFVJV-UHFFFAOYSA-N 309.439 2.028 0 40 DEAB COc1ccc(-n2cnc(C(=O)Nc3cc(C)nn3C)c2)cc1 226752079 XTJOJCFFYPXIHK-UHFFFAOYSA-N 311.345 2.175 0 40 DEAB O=C(Cc1noc2ccccc12)NC[C@@H](C(=O)O)c1ccccc1 195529845 XCQJIWODGSCHLJ-CQSZACIVSA-N 324.336 2.355 0 40 DEAB Cn1nc(CN2CCCCC2)c2c1CN(C(=O)c1ccco1)C2 96084526 UCRCZAOOZUPDSQ-UHFFFAOYSA-N 314.389 2.155 0 40 DEAB CC(C)n1nc(CN(C)C)c2c1CN(Cc1cccnc1)CC2 96255932 BLDQLTYUDMZHGB-UHFFFAOYSA-N 313.449 2.479 0 40 DEAB CC(C)S(=O)(=O)CCS(=O)(=O)Cc1ccc(Cl)cc1 96455441 SBHOIQUKLDLOMZ-UHFFFAOYSA-N 324.851 2.078 0 40 DEAB C[C@](Br)([C@@H](O)c1cccc(F)c1)S(C)(=O)=O 96521274 WTLIDXXSLBUDNV-VHSXEESVSA-N 311.172 2.015 0 40 DEAB CCn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cn1 96433510 MSPBPUHLLOQWLE-UHFFFAOYSA-N 321.189 2.406 0 40 DEAB COc1cc(C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)ccc1Cl 230461625 UBHGCVQZFGIGMQ-ZLMDCXFVSA-N 315.822 2.330 0 40 DEAB O=C(N1CCCC1)N1CC[C@@H]2OCCC[C@]2(COCC2CC2)C1 96039935 KTFVTIYDLWBIAZ-FUHWJXTLSA-N 322.449 2.500 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)c2ccccc2S1 96461800 SCJDBXRVIBNUHT-JTQLQIEISA-N 309.416 2.110 0 40 DEAB Cc1cc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)no1 96427375 LZDWUUPXTDGXDR-UHFFFAOYSA-N 322.321 2.109 0 40 DEAB C[C@@H](NC(=O)N1CCC(c2ncc[nH]2)CC1)[C@@H]1CCCCO1 332828165 NPYAOPNHKFEYCM-OCCSQVGLSA-N 306.410 2.256 0 40 DEAB Cn1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cn1 96039802 TUDBNEXZGGSTBJ-QZTJIDSGSA-N 319.449 2.218 0 40 DEAB CN(C[C@@H]1CCC[C@@H]1O)C(=O)NCCc1nc(C2CC2)cs1 95438125 SUESKGQZIVOVLP-JSGCOSHPSA-N 323.462 2.365 0 40 DEAB CCOC[C@@H]1CN(C(=O)NC2CCCC2)Cc2nccn2C1 96187823 MFXIRLPUBIFSBQ-ZDUSSCGKSA-N 306.410 2.004 0 40 DEAB Cc1ccc(N2CC[C@@H]3CN(Cc4cccc(C)n4)C[C@@H]3C2)nn1 96081481 JWBUEHYRODADCS-IAGOWNOFSA-N 323.444 2.447 0 40 DEAB CCOc1cc(CCCNC(=O)c2cnn(C)c2)ccc1OC 96412763 PUDDXAUBYFAJSX-UHFFFAOYSA-N 317.389 2.190 0 40 DEAB O=C(Cc1cccs1)NC[C@@]1(O)CCc2ccccc2C1 90611438 HAUBGQQVCPKWJJ-QGZVFWFLSA-N 301.411 2.327 0 40 DEAB Cc1cccc(C(=O)N2CCO[C@H](c3cc(C)nc(C)n3)C2)n1 257330782 XPZIKIYGXMJKJT-INIZCTEOSA-N 312.373 2.011 0 40 DEAB COC(=O)[C@H](CB(O)OC(C)(C)C(C)(C)O)Cc1ccccc1 263583663 SHYZRTXLPWHEQJ-AWEZNQCLSA-N 322.210 2.065 0 40 DEAB O=C(C1CCOCC1)N1CCC[C@H](O)[C@@H]1Cc1ccccc1F 585278419 SJJYUAFGMHJSGM-IRXDYDNUSA-N 321.392 2.147 0 40 DEAB O=C(N[C@@H]1CC[C@@H](O)[C@@H]1O)c1ccc(-c2ccc(Cl)cc2)o1 585267320 WYVFZFDMWCFGCO-LALPHHSUSA-N 321.760 2.214 0 40 DEAB O=C(Cn1cnnn1)Nc1cccc(Cl)c1SC(F)F 69563446 XEUJCCRSXUFUCV-UHFFFAOYSA-N 319.724 2.280 0 40 DEAB O=C(O)[C@@H]1Cc2nc[nH]c2[C@@H](c2cccc(C(F)(F)F)c2)N1 5067262 BLNDRSXCSGTSNA-WDEREUQCSA-N 311.263 2.117 0 40 DEAB O=C(O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)O)c1 12020611 JUOCCBDXLUMDBN-UHFFFAOYSA-N 303.245 2.474 0 40 DEAB CC(C)[C@@H](Cn1nc(C2CC2)ccc1=O)NC(=O)c1ccco1 12145071 CKCXPHIJMXNOPW-CQSZACIVSA-N 315.373 2.168 0 40 DEAB CC(C)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)NC(=O)N2 12345597 PONNNPKGRMRCMW-CQSZACIVSA-N 319.792 2.446 0 40 DEAB CC(C)(C)OC(=O)NCCc1cc(O)nc(-c2ccccn2)n1 19083263 OIRKYVMIXVKXFS-UHFFFAOYSA-N 316.361 2.311 0 40 DEAB Cc1nc2c(c(=O)[nH]1)CCN(Cc1ccc(Cl)cc1)CC2 19286435 CMEFIJFUMHJTQY-UHFFFAOYSA-N 303.793 2.333 0 40 DEAB CCn1cncc1C(=O)N1CCC(c2cc3nccnc3[nH]2)CC1 19578361 GJBHYCWNGJLCEU-UHFFFAOYSA-N 324.388 2.194 0 40 DEAB O=C(NCc1ccnc(N2CCCC2)n1)c1ccc(F)cc1 207979555 ZPIVTYFGLKCSKN-UHFFFAOYSA-N 300.337 2.146 0 40 DEAB CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccccc2F)CC1 18708717 VQBOYILCXDKTDQ-CQSZACIVSA-N 307.413 2.108 0 40 DEAB Cc1ccc2nc(C(=O)N3CC[C@@H](c4n[nH]cc4C)C3)cn2c1 1848352334 CEHGGBMHSQTAID-CYBMUJFWSA-N 309.373 2.304 0 40 DEAB CC1(c2n[nH]cc2S(C)(=O)=O)CCN(C2CCCC2)CC1 2037769679 OVHIXZJWXPBQTL-UHFFFAOYSA-N 311.451 2.109 0 40 DEAB Cc1ccc(NC(=O)C[C@@H](NCCCOC(C)C)C(=O)O)cc1 4939478 YNMRJSHQTRJZQK-OAHLLOKOSA-N 322.405 2.182 0 40 DEAB O=C(CC1=CCCCC1)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1 2055756348 FULMANRQRBUWOA-HOTGVXAUSA-N 312.417 2.262 0 40 DEAB COC(=O)c1ccc(C(=O)NC[C@@H](OC)c2ccco2)cc1 206859814 MJWCSPUFHLHAHT-CQSZACIVSA-N 303.314 2.184 0 40 DEAB O=C1c2ccccc2C(=O)N1CSc1ccc(Cl)nn1 20031500 TZQQVGSJLRYUNH-UHFFFAOYSA-N 305.746 2.476 0 40 DEAB O=C(NC[C@H](O)COc1ccccc1)Nc1ccc(F)cc1 31088469 IZTKGNSLNBLRBD-AWEZNQCLSA-N 304.321 2.387 0 40 DEAB COc1ccc(-c2csc(NC(=O)/C=C/C(=O)O)n2)cc1 172378 NAIAOWDQMQXRQN-VOTSOKGWSA-N 304.327 2.398 0 40 DEAB COC(=O)[C@H](CCSC)NC(=O)Cn1ccc2ccccc21 32124150 DGGIFSQXNNTTHD-ZDUSSCGKSA-N 320.414 2.052 0 40 DEAB biogenic COc1ccc([C@@H](CNC(=O)c2cccc(C)n2)N(C)C)cc1 32202160 MRUZZRRJSDUIGT-QGZVFWFLSA-N 313.401 2.431 0 40 DEAB COC(=O)C[C@@H](NC(=O)C1CCOCC1)c1ccc(C)cc1 22873909 YALAHKFZSZYAMX-OAHLLOKOSA-N 305.374 2.142 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCN(C)c3ccncc32)cc1F 79054962 CDXLXKDMOXCITD-UHFFFAOYSA-N 321.377 2.174 0 40 DEAB COc1cc(C(=O)N(CCF)CCF)cc(OC)c1OC 1724214 OQBASORGUWVWGZ-UHFFFAOYSA-N 303.305 2.094 0 40 DEAB CCCN1CCCN([C@H](C)C(=O)Nc2cccnc2Cl)CC1 106800067 JCQIGZZMCFIWQK-CYBMUJFWSA-N 324.856 2.480 0 40 DEAB O=C(O)c1ccc(COC(=O)c2ccc3c(c2)OCO3)cc1 6251361 VBJSJDXGVWYGKL-UHFFFAOYSA-N 300.266 2.471 0 40 DEAB C[C@]12CCC(=O)N1[C@H](C(=O)NCCC1=CCCCC1)CS2 25969499 MNIIXSDPKVFKMK-BBRMVZONSA-N 308.447 2.447 0 40 DEAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CCOCC1 25969125 IEPYAZWGTGTCOA-UHFFFAOYSA-N 319.792 2.366 0 40 DEAB Cn1cc(-c2nc3cc(F)c(Br)cc3c(=O)[nH]2)cn1 97085277 LQVZEDXZHDZODW-UHFFFAOYSA-N 323.125 2.225 0 40 DEAB Cc1cc(Br)ccc1CC(=O)NC[C@@H](O)C1CC1 97048414 SDFLUWNUVDYFPM-CYBMUJFWSA-N 312.207 2.187 0 40 DEAB C[C@@H](OC(=O)c1cscn1)c1ccc2c(c1)NC(=O)CO2 72270939 RZQXZOQBWJTYIU-MRVPVSSYSA-N 304.327 2.392 0 40 DEAB Cc1nn(CCC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc12 57279395 IPWGCGBLQLKHQI-BETUJISGSA-N 301.390 2.371 0 40 DEAB CC(C)NC(=O)Nc1ccc(C(=O)NO[C@H]2CCCCO2)cc1 58419445 DWHKBGAWWUUUSC-AWEZNQCLSA-N 321.377 2.405 0 40 DEAB CCN(Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)N)CC1 100177583 LWWLRYYGOOHGPF-BHYGNILZSA-N 303.450 2.283 0 40 DEAB Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)O 36359947 CDXDHLSJAVROBM-NSHDSACASA-N 321.402 2.471 0 40 DEAB CC(C)(C)N1C[C@H](NC(=O)COc2ccccc2Cl)CC1=O 72309350 BKQSEGHPXMKSBG-LLVKDONJSA-N 324.808 2.234 0 40 DEAB COc1ccccc1NCN1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 101771787 XLEQIBZARZRKQY-JHJVBQTASA-N 302.374 2.486 0 40 DEAB COC(=O)c1c(N2C(=O)C=CC2=O)sc2c1CC[C@@H](C)C2 2642258 CUVBETPPUFZGOH-MRVPVSSYSA-N 305.355 2.089 0 40 DEAB C[C@H]1CC(=O)N(CCOc2ccccc2Br)C1=O 101903627 ZEBVTIZTSIASAW-VIFPVBQESA-N 312.163 2.223 0 40 DEAB O=C(Nc1ccc2nccnc2c1)[C@H]1CC(=O)N(C2CCCC2)C1 47178736 IXBCJXIJILRUQO-LBPRGKRZSA-N 324.384 2.359 0 40 DEAB CC[C@H](CNC(=O)N(C)Cc1c(C)noc1C)N1CCCC1 48234140 WCKFOAZJDMDZQI-CQSZACIVSA-N 308.426 2.307 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCN(C[C@@H](O)c2cccs2)CC1 56921768 GGELKNPDINMQBW-LSDHHAIUSA-N 320.458 2.282 0 40 DEAB COc1ccc(SCC(=O)NCCCn2ccnc2)cc1 20106087 YDUKMALJQTZJFR-UHFFFAOYSA-N 305.403 2.190 0 40 DEAB Cc1ccc(C(=O)OCN2C(=O)c3ccccc3C2=O)c(O)c1 9021871 XZQYBJINHWQSBH-UHFFFAOYSA-N 311.293 2.111 0 40 DEAB CCCc1[nH]nc(O)c1[C@@H]1OC(=O)c2c1ccc(OC)c2OC 9060087 RWSGRKKCRMACLA-CYBMUJFWSA-N 318.329 2.345 0 40 DEAB CC(=O)C1=NN(c2ccccc2)[C@]2(N3CCOCC3)CCC[C@@H]12 19690845 KMZHNGVDPYBPFI-FUHWJXTLSA-N 313.401 2.280 0 40 DEAB O=C1[C@@H]2N=NN(Cc3cccc(F)c3)[C@H]2C(=O)N1c1ccccc1 4483595 ADHUWDJTSRIUFR-HUUCEWRRSA-N 324.315 2.319 0 40 DEAB Nc1cc(N)nc(SCC(=O)c2ccc3c(c2)CCC3)n1 6533218 XFGZIVLXAIKGQQ-UHFFFAOYSA-N 300.387 2.105 0 40 DEAB COc1c([C@@H]2CCCN2CCOCC(F)(F)F)c(C)nn1C 72253779 HBDGUUHJPSYHLQ-NSHDSACASA-N 321.343 2.453 0 40 DEAB Cn1c(CNC(=O)/C=C/c2ccccc2Cl)n[nH]c1=S 6505093 MQIUQDCCONGOGE-VOTSOKGWSA-N 308.794 2.461 0 40 DEAB Cc1cccnc1NC(=O)c1c(O)n(C)c2ccccc2c1=O 5687841 JJELQZHUOFKHPE-UHFFFAOYSA-N 309.325 2.200 0 40 DEAB CCN(CC)C(=O)[C@@H]1CCCN1C(=O)Cc1cccc(F)c1 67622354 YRHOOIZIALTVSP-HNNXBMFYSA-N 306.381 2.228 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N1CCc2ccccc2C1 7335398 OEXJCWAWGKWYOI-CQSZACIVSA-N 312.417 2.422 0 40 DEAB CCn1c(SCCNS(=O)(=O)CC)nc2ccccc21 68042606 CNVWWFOGAZSXSV-UHFFFAOYSA-N 313.448 2.088 0 40 DEAB C[C@@H]1CN(CC(=O)N2CCSc3ccccc32)C[C@@H](C)O1 16333191 UUBDLJUJMGTBCB-CHWSQXEVSA-N 306.431 2.235 0 40 DEAB O=C(N[C@H]1CCCNC1=O)N[C@H](c1ccccc1)C1CCCC1 69743313 MEBGPMSYJOYXLB-JKSUJKDBSA-N 315.417 2.496 0 40 DEAB Cc1cc(C[S@@](=O)CC(=O)N[C@H](C)c2ccccc2)no1 69701804 AYOJMMJVKNMBOV-GTJPDFRWSA-N 306.387 2.109 0 40 DEAB COCCCNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C 69817295 RVKNVDQLRKZTTL-UHFFFAOYSA-N 319.405 2.389 0 40 DEAB CCCn1ccnc1SCC(=O)Nc1ccc(C(N)=O)cc1 8709915 HSKYAFOCMLXUEN-UHFFFAOYSA-N 318.402 2.123 0 40 DEAB CC[C@H](c1ccccc1)[S@](=O)CC(=O)NC[C@@H]1CCCO1 95411038 OGTHKTCLBCGCIL-ZSDSOXJFSA-N 309.431 2.182 0 40 DEAB O=C(O)CCCNC(=O)c1ccc(F)c(COCC2CC2)c1 95424149 UDOWTZLZSUHKMK-UHFFFAOYSA-N 309.337 2.347 0 40 DEAB CN(C)Cc1ccccc1CN1C(=O)N[C@@H](C(C)(C)C)C1=O 95464569 GWXKBXIKOFCVGK-CQSZACIVSA-N 303.406 2.215 0 40 DEAB COC(=O)C1(N(C)Cc2nnsc2Cl)CCCCC1 95976216 CYWMUDCTAOHKIJ-UHFFFAOYSA-N 303.815 2.499 0 40 DEAB C[C@H]1CN(S(=O)(=O)Cc2noc3ccccc23)C(C)(C)CO1 95940458 YFOMQHCHZTZMRQ-NSHDSACASA-N 324.402 2.157 0 40 DEAB CC(=O)c1c(C)cc(C)c(COC(=O)[C@H]2COCCN2C)c1C 95942956 VKZDCBNQQUNHPN-MRXNPFEDSA-N 319.401 2.188 0 40 DEAB O=C(CC(F)(F)F)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 89313736 VLZWXRDQLFPXJY-GFCCVEGCSA-N 314.307 2.104 0 40 DEAB CC[C@H](NC(=O)c1nnn2cc(C)nc(O)c12)c1cccs1 75163993 CIPOBZMAEQKOTP-VIFPVBQESA-N 317.374 2.081 0 40 DEAB Cc1ccc(S(N)(=O)=O)c(C(=O)N(C2CC2)[C@H](C)C2CC2)c1 89611887 STGRYONIQOICTO-LLVKDONJSA-N 322.430 2.046 0 40 DEAB C[C@H]1CN(CCC2CCN(C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 89930307 BKADSUXQNCKAFZ-JZXOWHBKSA-N 310.482 2.234 0 40 DEAB CCOc1cccnc1N1CCN(c2cc(CC)ncn2)CC1 1548449640 AYEDNCMRBSBVTF-UHFFFAOYSA-N 313.405 2.159 0 40 DEAB CCOc1cn(C)c(C(=O)Nc2cccc(C(C)=O)c2)cc1=O 23135581 KCNFJOZZVITZLS-UHFFFAOYSA-N 314.341 2.239 0 40 DEAB CCOCc1c(I)cnn1CC(F)F 408715988 HPETVUQLUMKZAA-UHFFFAOYSA-N 316.089 2.289 0 40 DEAB Cc1cc(C)c2c(n1)sc1c(SCC(N)=O)ncnc12 32089268 SAOOHEZNNJEUCC-UHFFFAOYSA-N 304.400 2.434 0 40 DEAB CCn1cnnc1-c1ccccc1NC(=O)c1ncccc1O 123043524 ZGAJVXZEJUVEOP-UHFFFAOYSA-N 309.329 2.318 0 40 DEAB CCS(=O)(=O)[C@@H]1[C@H](C(N)=S)[C@@H]1c1cccc(Cl)c1 218573671 OBDOWLZLEZLOMA-AXFHLTTASA-N 303.836 2.143 0 40 DEAB CC(=O)N1CCC[C@H](c2cc(C(F)(F)F)nc3nccn23)C1 72368108 NUMODYMEFZYWSE-JTQLQIEISA-N 312.295 2.474 0 40 DEAB Nc1cccc(Cl)c1Sc1nnc(C(F)(F)F)n1N 78406680 SVQICMIHPMBFGF-UHFFFAOYSA-N 309.704 2.398 0 40 DEAB Cc1cc(NC(=O)c2cc[n+]([O-])cc2)ncc1Br 46085535 YQDORYONUVOSFZ-UHFFFAOYSA-N 308.135 2.038 0 40 DEAB CCc1ccc(NC(=O)c2cc(N3CCOCC3)on2)cc1 224073018 HXIITEYMVLMVQV-UHFFFAOYSA-N 301.346 2.326 0 40 DEAB CC(C)(C)OC(=O)N1CC(Cn2cnc3ccsc3c2=O)C1 225552677 JWRGLQIDCHEUIN-UHFFFAOYSA-N 321.402 2.325 0 40 DEAB C[C@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CCN(C)C1=O 80399629 ZDVJWYCQJDPYPX-DOMZBBRYSA-N 306.381 2.084 0 40 DEAB CC(C)Nc1nc2c(cc1C(=O)NCC1CC1)CCN(C)CC2 96260464 PFYPOYXLUOZKDE-UHFFFAOYSA-N 316.449 2.072 0 40 DEAB O=C(NCC1CC1)[C@@H]1C[C@H]2[C@H](CCN2Cc2ccsc2)O1 96186551 GPMCJSKMVBGHFO-KKUMJFAQSA-N 306.431 2.006 0 40 DEAB COCC(=O)N1CCC2(CC[C@H]2N(C)Cc2ccco2)CC1 96051600 YYAGONOAKUADSA-OAHLLOKOSA-N 306.406 2.129 0 40 DEAB CC(C)C[C@](C)(NC(=O)c1cccc(F)c1Cl)C(N)=O 96431025 LCSVNYFKKFIGHN-AWEZNQCLSA-N 300.761 2.499 0 40 DEAB Cc1ccc([C@H]2CCCCCN2CCNS(C)(=O)=O)o1 96415008 AFONRHNPBAFABE-CYBMUJFWSA-N 300.424 2.054 0 40 DEAB O=C1C[C@@H](NC(=O)C2(Cc3cccc(F)c3)CCCCC2)CN1 579990543 TYRUEKPSKRQBBG-OAHLLOKOSA-N 318.392 2.323 0 40 DEAB O=C(NCc1nc2ccccc2[nH]1)c1n[nH]c2c1CCCCC2 96223962 HDESJUJIBAJOER-UHFFFAOYSA-N 309.373 2.485 0 40 DEAB c1ccc(CN2CCn3cc(CNc4ccccn4)nc3C2)nc1 96197504 QMJCFSPJLWJVSR-UHFFFAOYSA-N 320.400 2.301 0 40 DEAB CN1C[C@H](C(=O)Nc2cc(-n3cccc3)ccc2F)CC1=O 96403478 KPTIZXJHLRFCIO-LLVKDONJSA-N 301.321 2.033 0 40 DEAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1cnc[nH]1 96420038 GEAXMSANROFYAM-JTQLQIEISA-N 300.145 2.180 0 40 DEAB CC(C)n1nccc1[C@H]1OCC[C@@H]1c1nc(-c2ncc[nH]2)no1 252495542 OSXZZKWXLIXSJO-JQWIXIFHSA-N 314.349 2.482 0 40 DEAB COc1ncccc1C(=O)N1CCC2(CC=CCOC2)CC1 257242763 IEANTMGITIGPSJ-UHFFFAOYSA-N 302.374 2.289 0 40 DEAB Cc1cccc(C(=O)N2CCC(c3ccn4nccc4n3)CC2)n1 257323508 WKNIGMRSCNEMFD-UHFFFAOYSA-N 321.384 2.453 0 40 DEAB CCCCc1nc(CN2CCO[C@H](c3cnc(C)cn3)C2)c[nH]1 257266146 MBTRHVWEFFKQBZ-INIZCTEOSA-N 315.421 2.424 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)Cn3cnc4ccccc43)C2)n1 257292481 QLRKFLGYQCHWDO-CQSZACIVSA-N 323.400 2.094 0 40 DEAB CN(C)c1cnc(C[C@@H]2CCCN(c3ccncn3)CC2)cn1 257331614 XTOSCGZFYZWDAV-CQSZACIVSA-N 312.421 2.182 0 40 DEAB CC1(NC(=O)C2(Cc3ccccc3F)CCOCC2)COC1 257228889 FVSQSIOKQIPZDT-UHFFFAOYSA-N 307.365 2.070 0 40 DEAB Cc1c(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)O)cnn1C(C)C 262872829 GDZPRTGXWYBEDM-SCRDCRAPSA-N 305.378 2.098 0 40 DEAB O=C(O)C1CCN(C(=O)c2ccc3nc(C(F)F)[nH]c3c2)CC1 531995704 GIYWRCRSRVQRKU-UHFFFAOYSA-N 323.299 2.437 0 40 DEAB O=C(Nc1cc(-n2cncn2)ncn1)c1cc2ccccc2o1 96025247 SVZQZRUDDVCAHZ-UHFFFAOYSA-N 306.285 2.056 0 40 DEAB CCc1ccc(S(=O)(=O)NCC[C@@H](O)c2ccoc2)s1 96097328 MDCKZWHLGMCDDO-GFCCVEGCSA-N 315.416 2.306 0 40 DEAB O=C(NCc1ccc(-c2ccoc2)cc1)C(=O)NCc1ccco1 390830140 JASCKBUMFSPTOA-UHFFFAOYSA-N 324.336 2.472 0 40 DEAB Cc1cccc(CO[C@@H]2CCOC3(C2)CN(C(=O)C(C)C)C3)n1 575403023 FPACPTRWEULYTP-MRXNPFEDSA-N 318.417 2.323 0 40 DEAB CSCc1nnc(S[C@@H](C)C(=O)Nc2cc(C)on2)o1 22094775 MUXZIVCHCIHNEL-ZETCQYMHSA-N 314.392 2.348 0 40 DEAB CN(Cc1cccc(F)c1N)CC(C)(C)CN1CCOCC1 585140517 GHXUESKDQXIPNA-UHFFFAOYSA-N 309.429 2.198 0 40 DEAB Cc1cc(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)[nH]n1 79621512 MSRIJNZXMYVNHJ-LLVKDONJSA-N 311.345 2.183 0 40 DEAB O[C@@H](CNc1ccc2nnc(C(F)(F)F)n2n1)c1ccccc1 198352009 DNPAEDMIFBKYCD-JTQLQIEISA-N 323.278 2.289 0 40 DEAB Cc1nc(C)n(Cc2cc3c(cc2Br)OCCO3)n1 95948785 RDKDOJMJJQESDK-UHFFFAOYSA-N 324.178 2.477 0 40 DEAB Cc1cccc(C[C@@]2(CO)CN(Cc3cc(C)on3)CCO2)c1 1615143104 YBSFMWLSCMFHGE-SFHVURJKSA-N 316.401 2.097 0 40 DEAB O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1cc[nH]n1 12087752 PKZSIJVYAPBLHJ-UHFFFAOYSA-N 324.428 2.336 0 40 DEAB Cc1cccnc1CN1CCN(C[C@@H](O)c2cccs2)CC1 19237817 CXXASNCVJLYKFS-MRXNPFEDSA-N 317.458 2.303 0 40 DEAB CC(C)N(C(=O)CSc1nc(N)cc(N)n1)c1ccccc1 3605717 UVGOUFVNJIAHIW-UHFFFAOYSA-N 317.418 2.175 0 40 DEAB O=C(COc1cccc(F)c1)N1CCO[C@H](c2ccncc2)C1 1848353126 QSISPAOWLDYMQP-INIZCTEOSA-N 316.332 2.200 0 40 DEAB CCNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 13254278 HNXWUDVVIHTKKH-KBPBESRZSA-N 316.357 2.042 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1C[C@]1(O)CC[C@@H](C(C)(C)C)CC1 2037957003 ZESAPOPSWXMJHB-DOEOUOAPSA-N 324.509 2.093 0 40 DEAB CN1CCCCC12CCN(C(=O)Cc1ccc(F)cn1)CC2 1565542967 OSEJZVNPNRCMGZ-UHFFFAOYSA-N 305.397 2.240 0 40 DEAB CCCc1cc(=O)[nH]c2nnc(SCc3ccccn3)n12 4250263 ZAXXAKOQVSIHRL-UHFFFAOYSA-N 301.375 2.057 0 40 DEAB O=C(CCc1ccc[nH]1)N1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 2055837441 ANUGVSXHRHHTOW-SJLPKXTDSA-N 318.417 2.134 0 40 DEAB O=C(O)c1cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Cl 100186155 GFLFKUHYSVELRX-XMUKKISLSA-N 317.728 2.350 0 40 DEAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3cc(C)on3)ccc21 40473772 NGLHAEIRYWYKGN-UHFFFAOYSA-N 312.329 2.274 0 40 DEAB CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cnn(C)c1 40539688 LJRSPJCWPUYJHA-UHFFFAOYSA-N 313.810 2.284 0 40 DEAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 32895922 DVJXNDSKYJKHRA-LBPRGKRZSA-N 318.398 2.285 0 40 DEAB CC1(C)SC(=S)N(Cc2ccc3c(c2)OCO3)[C@@H]1NO 506770 ILJAJPVVJUEXRG-NSHDSACASA-N 312.416 2.333 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2c(=O)[nH]1 53427467 ZFJUABMPXRAQPR-CYBMUJFWSA-N 300.358 2.169 0 40 DEAB O=S(=O)(NCC1(c2ccccc2)CC1)N1CCCCCC1 22413314 MUJWMCLBNKUCAK-UHFFFAOYSA-N 308.447 2.429 0 40 DEAB CN(Cc1noc(C2CC2)n1)C[C@H]1COc2ccccc2O1 53603258 UVNROPAKNCHXTD-LBPRGKRZSA-N 301.346 2.219 0 40 DEAB Cc1cccc(C(=O)NCCC(=O)NOCc2ccccc2)c1 23040056 LVOJYEAOZHFXMG-UHFFFAOYSA-N 312.369 2.363 0 40 DEAB O=C(Cc1ccccc1)NCC(=O)OCc1ccc(F)cc1 563808 UIPNVTSLSCRCKM-UHFFFAOYSA-N 301.317 2.228 0 40 DEAB COCCn1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)n1 78540191 NLQVILMXSVICEE-JTQLQIEISA-N 309.395 2.177 0 40 DEAB Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(C(N)=O)cc1 78878653 GPGNBRZZOOVJKV-ZDUSSCGKSA-N 312.369 2.291 0 40 DEAB CC(=O)N(CCCNC(=O)NCc1ccc(F)cc1)C(C)C 47677490 HGNUUNWCVGDBLB-UHFFFAOYSA-N 309.385 2.272 0 40 DEAB Cc1c(NC[C@@H]2CCCO2)nn2c(C(F)(F)F)nnc2c1C 79111740 JMVCWXHHYSKZCD-VIFPVBQESA-N 315.299 2.351 0 40 DEAB Cc1nn(C)cc1CNC(=O)c1cc(-c2cccs2)on1 2803066 NAVPKOYFCYKPAA-UHFFFAOYSA-N 302.359 2.375 0 40 DEAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(-n2ccnc2)nc1 24905235 FRCSOCOPCTWKCY-UHFFFAOYSA-N 324.388 2.189 0 40 DEAB Cn1cnnc1SCC(=O)Nc1ccc(F)cc1Cl 3396717 ZWEHKXJHMNTYDH-UHFFFAOYSA-N 300.746 2.338 0 40 DEAB COc1ccc(C(N)=O)c(OCCOc2ccc(F)cc2)c1 25219371 AKFNRSSFDLKOGH-UHFFFAOYSA-N 305.305 2.391 0 40 DEAB C[C@H]1CCc2c(nc3ncnn3c2NCC[C@@H]2CCCN2C)C1 4516986 GQPWCKVLROAUMJ-STQMWFEESA-N 314.437 2.145 0 40 DEAB COc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cn1 7056553 TXTOYZVBXNZHTL-UHFFFAOYSA-N 306.343 2.094 0 40 DEAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)N1CCOCC1 57632463 RDNGRKBMCVIGHQ-LBPRGKRZSA-N 304.173 2.321 0 40 DEAB O=C(NCc1cccnc1-n1cccn1)c1noc2c1CCCC2 56930057 PWJKKCXYICUKET-UHFFFAOYSA-N 323.356 2.064 0 40 DEAB O=C(Nc1nccs1)N1CCN(Cc2cccc(O)c2)CC1 58244773 XXGUSHPKMUNEGU-UHFFFAOYSA-N 318.402 2.198 0 40 DEAB Cc1nc(NCc2ccccc2-n2cccn2)c2cnn(C)c2n1 58280116 ZXOSIAKTTWMSMN-UHFFFAOYSA-N 319.372 2.470 0 40 DEAB C[C@H](NC(=O)Nc1ccncc1)c1ccc(S(C)(=O)=O)cc1 44967219 ALYGTDQPLWMIOX-NSHDSACASA-N 319.386 2.368 0 40 DEAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1ccccn1 44949230 OLGHBKCNRNBZIS-JSGCOSHPSA-N 302.378 2.338 0 40 DEAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCOC[C@H]1C 44912537 RJZHKRSNHIGPAQ-SNVBAGLBSA-N 303.387 2.374 0 40 DEAB C[C@H]1CC[C@H](CCC(=O)Nc2cccc(-c3nnn[nH]3)c2)O1 75189490 RLUJJSXGAQCXRL-GXFFZTMASA-N 301.350 2.153 0 40 DEAB COCC(COC)OC(=O)c1cc(F)cc(Br)c1 95423582 ASTXOCDSTGMULL-UHFFFAOYSA-N 321.142 2.406 0 40 DEAB O=C(O)c1ccc(C(=O)N2CCN(C3CCCCC3)CC2)cc1 2456724 YRAHALUGDMPRME-UHFFFAOYSA-N 316.401 2.475 0 40 DEAB CCCc1cc(=O)[nH]c(S[C@H](C)C(=O)NC2CCCC2)n1 11443418 ITOOFFFVLLEJOZ-SNVBAGLBSA-N 309.435 2.262 0 40 DEAB Cn1nnnc1SCC(=O)c1cccc(C(F)(F)F)c1 3227705 PJPBKNOCUUTMBK-UHFFFAOYSA-N 302.281 2.204 0 40 DEAB CCn1c(C)c(C(=O)N2CCOCC2)c2cc(OC)ccc21 76654191 QMIZADYUTCUGHE-UHFFFAOYSA-N 302.374 2.451 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(c1nc(C)nc3[nH]ccc13)CC2 95409115 XLCBNJOMMBQKLO-KGLIPLIRSA-N 316.405 2.023 0 40 DEAB C[C@H](Sc1ccccc1Cl)C(=O)NCC(=O)N(C)C 48229337 CZBAATUELLVOFO-VIFPVBQESA-N 300.811 2.025 0 40 DEAB CN(C)c1ccc(NC(=O)N(C[C@H]2CCOC2)C2CC2)cn1 48235349 LGCMBUPDFMCPFV-GFCCVEGCSA-N 304.394 2.180 0 40 DEAB O=C(NCc1ccccc1F)[C@@H]1CC(=O)N(Cc2ccco2)C1 3333375 NGMWCQIAFFJAHM-CYBMUJFWSA-N 316.332 2.084 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(=O)n([C@H]2C=CCCC2)c1 89969031 KBROEQKUGJPBMW-ZDUSSCGKSA-N 310.419 2.160 0 40 DEAB CCOC(=O)[C@H]1[C@@H](c2ccccc2)N(C)O[C@]1(O)C(F)(F)F 4040142 GLBJBXFOTOHOLE-WZRBSPASSA-N 319.279 2.035 0 40 DEAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)S(C)(=O)=O 13555065 VJZZFVSTDPXTPK-UHFFFAOYSA-N 322.430 2.398 0 40 DEAB CCCc1onc(C)c1C(=O)NC[C@@H](O)c1ccc(OC)cc1 89960419 WECIUHRDSKRYRV-CQSZACIVSA-N 318.373 2.408 0 40 DEAB Cc1ccc(-c2noc(CN3CCC[C@@H]3C(=O)N(C)C)n2)cc1 14161140 CEWXQDSORGCICH-CQSZACIVSA-N 314.389 2.098 0 40 DEAB O=C(c1ccccc1-n1cnnn1)N(Cc1ccccc1)C1CC1 73921811 YMZBDMYTCSUTQE-UHFFFAOYSA-N 319.368 2.467 0 40 DEAB c1csc(N2CCCN(Cc3noc(C4CC4)n3)CC2)n1 71830491 AXGRDUMNSOPVLO-UHFFFAOYSA-N 305.407 2.116 0 40 DEAB Cc1nn2cccnc2c1C(=O)N[C@@H]1CCN(c2ccccc2)C1 71882843 JBPXYMGKEKLGQG-CQSZACIVSA-N 321.384 2.046 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1Cc1nnnn1C1CC1 75605147 ZCDLKLIKANDGED-LLVKDONJSA-N 321.816 2.040 0 40 DEAB CN1CCCC[C@H]1CN1CCN(CCOc2ccccc2)CC1 71892877 RMJWVNLVFMKPJG-SFHVURJKSA-N 317.477 2.167 0 40 DEAB Cc1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cs1 7995549 HNFYKFDGZWCGJA-UHFFFAOYSA-N 317.414 2.469 0 40 DEAB COc1ccccc1OCc1nc2c3ccccc3[nH]c(=O)n2n1 8156623 NGSIARIJUXONMP-UHFFFAOYSA-N 322.324 2.158 0 40 DEAB Cc1cnn([C@H]2CCCN(C(=O)CCc3nccs3)C2)c1 69528863 BDGQUBYNSUFCEZ-ZDUSSCGKSA-N 304.419 2.444 0 40 DEAB COCCCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 69531604 WCCVNUIMCYNKDL-UHFFFAOYSA-N 319.401 2.389 0 40 DEAB Cc1ccc(N(CCC(=O)NC(N)=O)Cc2ccco2)cc1 69617275 NJWMGABPFCAAJL-UHFFFAOYSA-N 301.346 2.180 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1Cc1c(F)cccc1N1CCCC1 92042593 IINOEVXIFLRETQ-UONOGXRCSA-N 308.397 2.008 0 40 DEAB CCOc1ccc(N[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 9885345 AWVCMXFLVSEMCX-JTQLQIEISA-N 302.382 2.092 0 40 DEAB C[C@@H](N[C@H](CO)c1ccccc1)C(=O)N(C)C1CCCCC1 97081900 POFLZGYXHNJQSV-RHSMWYFYSA-N 304.434 2.489 0 40 DEAB CCCc1csc(NC(=O)N[C@H]2CCCn3ncnc32)n1 97035182 LTAISOGTPQOLNJ-JTQLQIEISA-N 306.395 2.344 0 40 DEAB CCC(O)(CC)CNC(=O)C[C@H](NC(C)=O)c1ccc(C)cc1 72298128 LUQLOYGANYMRGL-INIZCTEOSA-N 320.433 2.230 0 40 DEAB O=C([C@@H]1C[C@@H]1c1ccccc1F)N1CCC[C@H](n2cncn2)C1 72272352 DEHFMCOESLRTGS-NWANDNLSSA-N 314.364 2.384 0 40 DEAB Cc1ccc(CNC(=O)CNC(=O)OCC(F)(F)F)cc1F 72277412 ZUCWOJZGHQTLMH-UHFFFAOYSA-N 322.258 2.039 0 40 DEAB Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCC(=O)N(C)C1 72291506 YCUWDTJUFBULNS-SNVBAGLBSA-N 309.435 2.100 0 40 DEAB COC(=O)c1ccc(C)c(NC(=S)NC2CCN(C)CC2)c1 63143316 SSDOTCQBUDRRHI-UHFFFAOYSA-N 321.446 2.162 0 40 DEAB CCn1ccc(C(=O)N2CCN(Cc3ccccc3C)CC2)n1 28237576 KXFDGIWDTZYSPN-UHFFFAOYSA-N 312.417 2.169 0 40 DEAB COc1ccc2nc(O)c(-c3noc(CCC(=O)O)n3)cc2c1 22119552 ZGMFFQAGJIJOQE-UHFFFAOYSA-N 315.285 2.016 0 40 DEAB NC(=O)[C@@H](SCCCNc1ncccn1)c1ccccc1 68061380 NEBGHUSHMPBUPW-ZDUSSCGKSA-N 302.403 2.238 0 40 DEAB Cn1ccc2c(C(=O)N3CCC4(CC3)OCCO4)cccc21 36357453 GVUFDDVHGLBOPZ-UHFFFAOYSA-N 300.358 2.157 0 40 DEAB NC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 36753795 SELZNCHUDSMOLM-UHFFFAOYSA-N 309.218 2.105 0 40 DEAB C[C@H]1C[C@H]1C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 71849454 PQJFCZLNFCAKRI-MELADBBJSA-N 302.422 2.367 0 40 DEAB COc1ccc(CCNc2ncnc(Cl)c2N)cc1OC 40571635 IMRKCBLDVNIMDN-UHFFFAOYSA-N 308.769 2.384 0 40 DEAB CC(C)(C)OC(=O)NCc1ccc(OS(C)(=O)=O)cc1 228956649 ZPRFZPDCIVEPPD-UHFFFAOYSA-N 301.364 2.050 0 40 DEAB Cc1ccnc([C@@H]2CCN(CC(=O)Nc3nccs3)C2)c1 565312068 HUVKGWUGAMNSMO-GFCCVEGCSA-N 302.403 2.275 0 40 DEAB CN(CCC(=O)O)C(=O)CCc1ccc(Br)cc1 195542631 WYPPNERYCVWLRC-UHFFFAOYSA-N 314.179 2.315 0 40 DEAB Cc1nc(CC(=O)NC[C@@H]2CCCN3CCCC[C@@H]23)cs1 43746875 GJWGDOVQSNDZNN-ZFWWWQNUSA-N 307.463 2.375 0 40 DEAB COC(=O)c1ccc(NC(=O)COc2cccc(OC)c2)cc1 40946386 ZSZHPHFEITVXHM-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB COc1c(Cl)cccc1NCC(=O)Nc1cc(C)nn1C 85274301 JBJXRWMUVHUVJS-UHFFFAOYSA-N 308.769 2.441 0 40 DEAB COc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 82169975 FTBCDBFLFVDHJK-UHFFFAOYSA-N 306.362 2.279 0 40 DEAB CS(=O)(=O)c1nccn1Cc1coc(-c2cccs2)n1 81272444 KHVZBDABNUHJJG-UHFFFAOYSA-N 309.372 2.051 0 40 DEAB Cc1c(F)ccc2c1N(S(=O)(=O)c1cnn(C)c1C)CCC2 332054979 NWYVSJJZFPBAOJ-UHFFFAOYSA-N 323.393 2.318 0 40 DEAB COCc1ccc(C(=O)N2CCNC[C@H]2c2ccncc2)cc1 577363910 UPHUHDJBFYWSSG-KRWDZBQOSA-N 311.385 2.015 0 40 DEAB CC1(C)CN(c2ccccc2S(=O)(=O)C(F)F)CCO1 96405387 SBSPYUVQVXYLQU-UHFFFAOYSA-N 305.346 2.298 0 40 DEAB O=C(Cn1cncn1)N1CCSC[C@H]1c1ccc(Cl)cc1 96407416 KXJCLARGXBROGM-ZDUSSCGKSA-N 322.821 2.248 0 40 DEAB CCOc1ccc(O[C@@H]2CCCN(c3cnn(C)c3)C2=O)cc1 96424792 DOWNMZJDGMFBOM-MRXNPFEDSA-N 315.373 2.393 0 40 DEAB O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)c1cnccn1 96407362 MLDXYBNOFMLCSH-ZDUSSCGKSA-N 300.337 2.015 0 40 DEAB CN(CC(F)(F)F)C(=O)Cn1cnc2cc(F)c(F)cc21 96451836 HLHDZBNIWCBANU-UHFFFAOYSA-N 307.222 2.335 0 40 DEAB O=C1C[C@@]2(CCN(CC3CC3)C2)CN1c1ccc2c(c1)OCO2 96050784 RRUSEBMYFNTBCB-GOSISDBHSA-N 314.385 2.254 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N(C)C[C@H](C)O 96503316 OAALXGWPEYQWPY-JSGCOSHPSA-N 306.406 2.137 0 40 DEAB Cc1ccc2c(n1)N(CC1CC1)CCN(Cc1cnn(C)c1)C2 96199069 YWPVPTRQZKWHMY-UHFFFAOYSA-N 311.433 2.356 0 40 DEAB CC(=O)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccccn1 247954454 SEIAKMOOYSDIQR-INIZCTEOSA-N 318.417 2.406 0 40 DEAB O=C(N[C@@H]1CCCC[C@@H](N2CCCC2)[C@@H]1O)c1ccc(F)cc1 257228963 FVZZIGZXFFAZPM-BRWVUGGUSA-N 320.408 2.323 0 40 DEAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](n2nccn2)C1 253471163 BISIQUVIYHTKJX-LBPRGKRZSA-N 310.279 2.384 0 40 DEAB CNc1cc([C@@H]2CCCN2S(=O)(=O)c2cccnc2)ccn1 257270557 MUSHBZYHLJINLQ-AWEZNQCLSA-N 318.402 2.044 0 40 DEAB CC(C)c1nn(C)cc1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 280261138 PPBKDGWWHAUTHM-OLZOCXBDSA-N 309.410 2.456 0 40 DEAB Cc1ccc(SC[C@@H](C)NC(=O)N[C@H]2CCCNC2=O)cc1 298263179 LQAAEQVNQXYXIX-OCCSQVGLSA-N 321.446 2.053 0 40 DEAB Cc1cc(N2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)ncn1 396181751 JOWKCJFVJATJJZ-CHWSQXEVSA-N 304.394 2.088 0 40 DEAB Cc1cc([C@@H](C)NC(=O)c2ccc(S(N)(=O)=O)cc2)c(C)o1 390833368 GQNCTAIFCQQWTH-SNVBAGLBSA-N 322.386 2.035 0 40 DEAB O=C(CCF)N1Cc2cccn2C[C@H](OCc2ccccn2)C1 585095200 HOAICGRCLLNQJU-INIZCTEOSA-N 317.364 2.170 0 40 DEAB CO[C@]1(COc2cccc(F)c2)CCN(C(=O)c2ccon2)C1 585274805 OCZNEDVSKCJQNB-MRXNPFEDSA-N 320.320 2.124 0 40 DEAB CO[C@H]1CCCN(C(=O)Cn2ccnc2)[C@H]1Cc1ccccc1 585275419 CAAPHGFPQKUHME-IRXDYDNUSA-N 313.401 2.132 0 40 DEAB COc1ccc(CN2CCC[C@@](CCC(N)=O)(OC)C2)c(F)c1 585276766 DQXKUJNFUILGQD-KRWDZBQOSA-N 324.396 2.081 0 40 DEAB CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1c[nH]c2ccccc12 685939116 CLIBIZOICYQEMS-JTQLQIEISA-N 310.375 2.042 0 40 DEAB O=C(NCCCCN1CCOCC1)c1cc2c(s1)CCC2 48251919 WLJQMSGYDOSZHV-UHFFFAOYSA-N 308.447 2.079 0 40 DEAB O=C(COC1CCCC1)Nc1ncn(Cc2ccccc2)n1 54245016 YNXNOMGEDGBXOZ-UHFFFAOYSA-N 300.362 2.224 0 40 DEAB COC(=O)Cc1cccc(NC(=O)c2[nH]nc3c2CCCC3)c1 89400964 YZNVWMVYXRKHOY-UHFFFAOYSA-N 313.357 2.256 0 40 DEAB Cc1ocnc1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 95979821 QVLOWHGKKOKDRH-UHFFFAOYSA-N 300.293 2.238 0 40 DEAB COCCCNC(=S)Nc1ccc(N2CCCCC2)nc1 11102125 CEQXJOIDIAARKD-UHFFFAOYSA-N 308.451 2.395 0 40 DEAB CC[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CC(C)C 12141873 TYOSOQPSXWJSFN-CQSZACIVSA-N 301.390 2.337 0 40 DEAB O=c1[nH]c(-c2ccncc2)nc2c1CCN(Cc1cccs1)C2 12666456 UCVFJOAJCRQYBS-UHFFFAOYSA-N 324.409 2.452 0 40 DEAB COc1ccc(C2=NO[C@H](C(=O)NC(C)(C)C)C2)cc1OC 12849118 BJXDBGLCXHUGOY-AWEZNQCLSA-N 306.362 2.112 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)cnc2ccccc21 14246563 FQRPDPMLHAAPGB-CYBMUJFWSA-N 319.364 2.374 0 40 DEAB COc1ccc(N2C[C@@H](CNC(=O)C3CCCC3)CC2=O)cc1 8925183 HTOVZTZRTQTHBW-CYBMUJFWSA-N 316.401 2.355 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888869908 AUVXOWFAWSINKG-KBPBESRZSA-N 320.383 2.450 0 40 DEAB COCCCN1CC[C@@H]2CN(C(=O)/C=C/C(C)C)C[C@@H]2CC1 2056223737 CYKZZWJRYTUYIN-WZDWLKHJSA-N 308.466 2.406 0 40 DEAB O=c1c(=O)n(-c2ccc(Br)cc2)ccn1CC1CC1 2086939621 KBWYFFYNOZDBEJ-UHFFFAOYSA-N 321.174 2.172 0 40 DEAB Cc1cccc(Cn2ccn(Cc3ccccc3)c(=O)c2=O)c1 6840153 XJNVFRRBLQCDBG-UHFFFAOYSA-N 306.365 2.415 0 40 DEAB CN1C(=O)Cc2cc(NS(=O)(=O)c3ccccc3)ccc21 16916555 GNHFYBMVKUGQGW-UHFFFAOYSA-N 302.355 2.006 0 40 DEAB O=C(NCCNC(=O)c1ccc2ccccc2n1)c1ccccc1 10313482 NSKXWGQTUPLWTR-UHFFFAOYSA-N 319.364 2.395 0 40 DEAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4c(c3)OCO4)cc12 23702788 RLCRPURSKYANIR-UHFFFAOYSA-N 310.313 2.258 0 40 DEAB COC(=O)Cc1csc(NC(=O)Cc2ccccc2F)n1 31764074 KZPCZTAVIGUDPO-UHFFFAOYSA-N 308.334 2.179 0 40 DEAB Cc1c(C(=O)NCc2csc(Br)c2)cnn1C 40519966 NEWGHSKCPZXYLA-UHFFFAOYSA-N 314.208 2.483 0 40 DEAB COc1ccc(CCNC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 168679 MDTUXJQZDMABRS-LSDHHAIUSA-N 303.358 2.021 0 40 DEAB CN(Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 32751450 FDPVBYOAURTRRE-GFCCVEGCSA-N 307.337 2.324 0 40 DEAB NC(=O)c1ccc(CNC(=O)C2C3CC4CC(C3)CC2C4)cc1 52837701 SCEDRHNGWGAISW-UHFFFAOYSA-N 312.413 2.474 0 40 DEAB CN(C)c1ccc(NC(=O)c2ccc3c(c2)CCC(=O)N3)cn1 22420555 UTTRVAHSSSEGLG-UHFFFAOYSA-N 310.357 2.285 0 40 DEAB CC[C@H](C)NC(=O)Nc1cccc(C(=O)N2CCOCC2)c1C 54507695 VTZUHBKPVHZULG-LBPRGKRZSA-N 319.405 2.387 0 40 DEAB COC(=O)[C@@H]1CCCN1C(=O)c1ccc(OCC(C)C)cc1 491085 JOPLXLADHGSXTL-HNNXBMFYSA-N 305.374 2.499 0 40 DEAB biogenic C[C@@H](NC(=O)N[C@@H]1CCSc2ccccc21)c1nncn1C 43166223 LTNFXVXIFSLBGF-ZYHUDNBSSA-N 317.418 2.412 0 40 DEAB COCCNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 47806589 NBZXLBSWSDVTKM-CHWSQXEVSA-N 307.394 2.068 0 40 DEAB C[C@@H](NC(=O)NCc1ccc(-n2ccnc2)nc1)c1cccnc1 79269042 ABKQZCXIJMXMQD-CYBMUJFWSA-N 322.372 2.223 0 40 DEAB COCCOCCOC(=O)c1cccc(Br)c1 1681975 JMKPQGJCVUBCOL-UHFFFAOYSA-N 303.152 2.269 0 40 DEAB COc1ccc(OCc2noc(CSCCC(=O)O)n2)cc1 24970114 BYEYRYXJEDDQMS-UHFFFAOYSA-N 324.358 2.365 0 40 DEAB COc1ccc(S(=O)(=O)N[C@@H]2CC(=O)c3sccc32)cc1 1386532 JMGWKSHCTPJOEN-GFCCVEGCSA-N 323.395 2.363 0 40 DEAB NC(=O)NC(=O)CN[C@H](c1ccccc1)c1cccc(Cl)c1 55870684 LPKGSAFVKMGMRZ-OAHLLOKOSA-N 317.776 2.214 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)NCCCn2ccnc2C)C12CCC2 95405295 PVCQLDUWCUVFBN-LSDHHAIUSA-N 320.437 2.229 0 40 DEAB C[C@@H]1CCC[C@](CNC(=O)N[C@H](C)c2cnn(C)c2)(N(C)C)C1 107355916 XBJJHQDGFPXVLS-CPUCHLNUSA-N 321.469 2.291 0 40 DEAB CN(CC(=O)NC(=O)NC1CCCCC1)Cc1ccccc1 7785388 SYQCPKMSYXJZDT-UHFFFAOYSA-N 303.406 2.277 0 40 DEAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1cc(F)cc2[nH]cnc12 95429924 WOHFHMNYEVXSJA-GOEBONIOSA-N 311.316 2.090 0 40 DEAB O=C(NCCCn1cnc2ccccc21)c1ccc2[nH]nnc2c1 12548150 XWQBMPSMNRDPEQ-UHFFFAOYSA-N 320.356 2.128 0 40 DEAB Cc1ccnc2nc(C(=O)N(C)[C@@H](C)c3ccc(F)cc3)nn12 58007179 DIPLLPCCKZATCH-NSHDSACASA-N 313.336 2.405 0 40 DEAB CCCCNC(=O)CCCN(c1ccccc1)S(C)(=O)=O 8499210 INKWMQIWZMDZJI-UHFFFAOYSA-N 312.435 2.149 0 40 DEAB O=C(OCCCc1ccncc1)c1cn(-c2ccccc2)nn1 58267914 WKNQDOJBSBIRKC-UHFFFAOYSA-N 308.341 2.452 0 40 DEAB COc1cc(C(=O)N2CCC[C@@H](c3nncn3C)C2)ccc1C 44911509 UNZBCPOCDPANPO-CQSZACIVSA-N 314.389 2.152 0 40 DEAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(C3CC3)[nH]n2)n1 44953220 NINRGALCGICRCC-JTQLQIEISA-N 301.394 2.167 0 40 DEAB CN(C(=O)NCc1cccnc1-n1cncn1)C1CCCCC1 44969097 NQICMUWSPPGSSZ-UHFFFAOYSA-N 314.393 2.136 0 40 DEAB C[C@@H](C(=O)NCCS(=O)(=O)Nc1ccccc1)C(C)(C)C 95397560 BAHUJTYFDQGWSJ-LBPRGKRZSA-N 312.435 2.227 0 40 DEAB COc1ccccc1OCC(=O)N1CCC[C@H]1CN1CCCC1 58343193 OFJIJUDSIVSRDN-HNNXBMFYSA-N 318.417 2.161 0 40 DEAB O=C(NCc1ccc(-n2cccn2)nc1)NOCc1ccccc1 45124530 FXYFNNWBJITQQH-UHFFFAOYSA-N 323.356 2.198 0 40 DEAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cc(C)nn2C)c1 10788504 SYQXCRPMWRKJLF-UHFFFAOYSA-N 301.346 2.141 0 40 DEAB O=S(=O)(Cc1cc(-c2ccccc2)no1)C[C@H]1CCCO1 45339758 OFIDJZQCRSVLDG-CYBMUJFWSA-N 307.371 2.435 0 40 DEAB Cc1ccccc1CCCN1C(=O)NC2(CCOCC2)C1=O 84647030 ITGOSNUHLOYHPN-UHFFFAOYSA-N 302.374 2.029 0 40 DEAB Cc1cc(NC(=O)COC(=O)c2c[nH]c3ccccc23)n(C)n1 11584466 VCFQEBJPVKEYGX-UHFFFAOYSA-N 312.329 2.005 0 40 DEAB Cc1noc(C)c1CSCC(=O)Nc1cccc(C(N)=O)c1 36845716 RRADEFSIKODGAW-UHFFFAOYSA-N 319.386 2.262 0 40 DEAB O=C(c1ccc[nH]c1=O)N1CCC(OCc2ccccc2)CC1 46617989 IKSBCVPCVFBQKO-UHFFFAOYSA-N 312.369 2.196 0 40 DEAB CNC(=O)CN(C)C(=O)c1cc(-c2ccco2)nc2ccccc12 60883837 MUXIVNJUDZOXTH-UHFFFAOYSA-N 323.352 2.313 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CSCCS2)cc1C 75109571 WEXDHDDQMLYJIB-GFCCVEGCSA-N 317.501 2.430 0 40 DEAB O=C(CCOCC(F)(F)F)NC1(C(=O)O)CCCCCC1 37457138 BMDNWVFUCJDLFY-UHFFFAOYSA-N 311.300 2.249 0 40 DEAB COc1cccc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)c1 12684802 NZHJKQVFONYCQE-UHFFFAOYSA-N 316.332 2.357 0 40 DEAB CC(=O)c1csc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)n1 12789555 ALMMXEDTYOTNGL-LBPRGKRZSA-N 316.338 2.066 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2nccs2)cc1F 51357287 RIRKSJOGMNAXKI-UHFFFAOYSA-N 310.306 2.086 0 40 DEAB COc1ccc(OCCCC(=O)N2CCC[C@H](C(=O)O)C2)cc1 13171294 GHUJGBAGFOHIGA-ZDUSSCGKSA-N 321.373 2.177 0 40 DEAB C[C@@H]1CCCN(S(=O)(=O)NC[C@H](C)c2ccsc2)C1 110648776 LGXJXSJWDIMNAT-NEPJUHHUSA-N 302.465 2.418 0 40 DEAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N(C)C[C@H](O)C(F)(F)F 95939398 AGWDGRZXAHTVLD-ICCXJUOJSA-N 316.323 2.485 0 40 DEAB NC[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1Cl 89091776 RNISNQVUYMSVOP-KCJUWKMLSA-N 323.245 2.399 0 40 DEAB Cc1cccc(N(CCCC(=O)NC(C)C)S(C)(=O)=O)c1 13847216 HOWLYTSGKABSPW-UHFFFAOYSA-N 312.435 2.066 0 40 DEAB O=C1CCSc2ccc(C(=O)NO[C@@H]3CCCCO3)cc2N1 65490343 ZVACNIRWMACWFF-CQSZACIVSA-N 322.386 2.309 0 40 DEAB CCOCCC(=O)NCc1cccnc1OCC(F)(F)F 65490484 YNIBTOBGKLMJIZ-UHFFFAOYSA-N 306.284 2.066 0 40 DEAB COc1cccc(N2CC[C@@H](CNc3ncnc4[nH]cnc34)C2)c1 65567166 RMEFOSSICZJKEI-LBPRGKRZSA-N 324.388 2.300 0 40 DEAB CC(C)(C)c1ccc2c(c1)CCN2C(=O)[C@H]1CCC(=O)NC1 65615148 HHRSEZKLMMNUEU-ZDUSSCGKSA-N 300.402 2.399 0 40 DEAB Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)c(O)c1 6454192 CPYMDCVAUMZDGP-UHFFFAOYSA-N 309.325 2.049 0 40 DEAB O=C(Cn1c(=S)[nH]c2ccccc2c1=O)Nc1nccs1 9468997 DTALFVWBBPIQHU-UHFFFAOYSA-N 318.383 2.154 0 40 DEAB Cc1cc(C)n(CCCNC[C@H](O)COCc2ccccc2)n1 6941281 KIQRTRKMBJRHJE-SFHVURJKSA-N 317.433 2.057 0 40 DEAB COc1ccc(Cl)cc1NC(=O)c1nccnc1C(=O)O 4961036 JSDLFDKHZDSHSB-UHFFFAOYSA-N 307.693 2.089 0 40 DEAB O=c1oc2cccnc2c(=O)n1Cc1cccc(C(F)(F)F)c1 5944165 OHFJZNRJVGLYRK-UHFFFAOYSA-N 322.242 2.417 0 40 DEAB C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCNC1=O 7127850 GLQZIGWGYGLZEP-ZETCQYMHSA-N 303.145 2.313 0 40 DEAB CC(C)NC(=O)C[C@H](C)NC(=O)N(C)[C@@H](C)c1cccnc1 96440887 SNRGRKDYJXXGGW-STQMWFEESA-N 306.410 2.087 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)N[C@H]2CCN(c3ccccc3)C2)n1 71882810 GHMDUSMGLTVMLA-HOTGVXAUSA-N 312.417 2.456 0 40 DEAB C[C@H](O)CN1CCN(Cc2csc(-c3ccccc3)n2)CC1 71877453 IHIQMUPTOXKLRE-AWEZNQCLSA-N 317.458 2.309 0 40 DEAB O=C(CNC(=O)c1ccccc1)NCCc1ccc(Cl)cc1 8084973 CDISXAHMYIHAHE-UHFFFAOYSA-N 316.788 2.429 0 40 DEAB Cc1cccc(-c2cccc(CNC(=O)[C@H](C)NC(N)=O)c2)c1 71855311 QGNPSBVRYQFKCJ-ZDUSSCGKSA-N 311.385 2.335 0 40 DEAB CC(C)(CNC(=O)C12CC3CC(CC(C3)C1)C2)N1CCOCC1 69294444 WHMXGPWIKSQVBN-UHFFFAOYSA-N 320.477 2.430 0 40 DEAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccncc1 8285220 GBIDWMZFKRFOJY-UHFFFAOYSA-N 303.749 2.446 0 40 DEAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCCN2CCC[C@@H]2C1 69325223 IHHZUQGOKSFLHF-MSOLQXFVSA-N 313.445 2.176 0 40 DEAB Nc1nccnc1C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69461327 RJEWKAFKLZDVII-GXSJLCMTSA-N 322.290 2.364 0 40 DEAB CNC(=O)c1ccc(CN(C)C(=O)NCc2ccccc2)cc1 17115518 PEYTUHHPFAZWPA-UHFFFAOYSA-N 311.385 2.388 0 40 DEAB O=c1oc(-c2ccco2)nn1Cc1noc(-c2cccs2)n1 69594784 LTTOFKWNHZIHFX-UHFFFAOYSA-N 316.298 2.256 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCCC[C@H]1C1OCCO1 69513396 ONDPJTRITUOBDH-AWEZNQCLSA-N 316.357 2.124 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H](n2ccnc2)C1 69670319 KVGKJHWPQTVHLD-WFASDCNBSA-N 315.421 2.201 0 40 DEAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc4[nH]nnc4c3)C2)n1 69624038 CWRLUHJSGFHAJT-AWEZNQCLSA-N 324.388 2.249 0 40 DEAB CCCC(=O)NCc1ccc(-c2nn3cnnc3s2)cc1 18210623 JPESLXMKTPKGNL-UHFFFAOYSA-N 301.375 2.269 0 40 DEAB Cc1noc(C)c1CC(=O)N(C)C[C@H]1COc2ccccc2O1 9834054 IJPAONCWUKANCG-ZDUSSCGKSA-N 316.357 2.132 0 40 DEAB O=C1NCCN(C(=O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 89273542 HHODLTVIIFDRSX-GFCCVEGCSA-N 312.291 2.115 0 40 DEAB Cc1nc(SCc2nnc(C3CC3)n2C2CC2)[nH]c(=O)c1C 97083686 LVPANCJUDVOVIP-UHFFFAOYSA-N 317.418 2.483 0 40 DEAB Cc1ccc(O)c(CN[C@@H](C[S@](C)=O)c2ccccc2)n1 97058946 XYHKAHAILRIWSA-YCRPNKLZSA-N 304.415 2.305 0 40 DEAB Cc1ccc(CCNC(=O)N2CCC[C@@H]3CN(C)CC[C@H]32)cn1 97049388 XGQDMBUCGATYNH-IAGOWNOFSA-N 316.449 2.058 0 40 DEAB CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccc3)s2)C1 97085922 ILAXKSJJSOOQFA-AWEZNQCLSA-N 316.430 2.234 0 40 DEAB Cc1nc(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)oc1C 97080300 BUCJXWVTHMCBJN-SFHVURJKSA-N 310.353 2.435 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1CNCc1cccnc1 72298349 NILAFZYGZMVKHO-WBVHZDCISA-N 300.406 2.299 0 40 DEAB CCc1nnnn1-c1ccccc1NC(=O)c1scnc1C 72288920 PRXQKHUBVRKHHL-UHFFFAOYSA-N 314.374 2.242 0 40 DEAB CCCN(C(=O)c1ccn(C)c(=O)c1)[C@H]1C[C@H](OCC)C1(C)C 72293420 LQPXCSSLMRMFNL-GJZGRUSLSA-N 320.433 2.441 0 40 DEAB O=S(=O)(CC1CCCCC1)NCc1ccc2c(c1)OCO2 72230337 UNBGAPBRYPQGHB-UHFFFAOYSA-N 311.403 2.415 0 40 DEAB CCO[C@@H](C)C(=O)Nc1ccccc1-c1nnnn1C(C)C 97107012 YPTKPKRRCIDDAM-NSHDSACASA-N 303.366 2.285 0 40 DEAB Cc1ccc(NC(=O)NC2CCN(C[C@H]3CCOC3)CC2)nc1 97107612 SUBFMQSAMKQXRG-CQSZACIVSA-N 318.421 2.012 0 40 DEAB C[C@@H](CC1CCOCC1)Nc1ccc(N2CCN(C)CC2)nc1 95991529 DNWBSLOPIOZLLO-HNNXBMFYSA-N 318.465 2.451 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(c1ncnc3sccc13)CC2 89986559 STRHEEQXERJQMR-STQMWFEESA-N 319.430 2.448 0 40 DEAB C[C@H](NC(=O)CN1CCN(C)C[C@H]1C)c1ccccc1Cl 89938954 JVVYYUJEHGHBQW-OLZOCXBDSA-N 309.841 2.153 0 40 DEAB Cc1ccnc2nc(C(=O)Nc3cc(Cl)c(Cl)cn3)nn12 76091225 SAEWSZAWKAWKPF-UHFFFAOYSA-N 323.143 2.387 0 40 DEAB CCCc1n[nH]c([C@H]2CN(C(=O)C[C@H]3C=CCC3)CCO2)n1 76045849 DUUYRAZUOGRULN-QWHCGFSZSA-N 304.394 2.013 0 40 DEAB CCCN1CCN(C(=O)[C@H](C)n2ccc(C(F)(F)F)n2)CC1 27973965 AROVHQABBNPQTM-NSHDSACASA-N 318.343 2.017 0 40 DEAB Cc1ccc2c(c1)CCCN2C(=O)CN(C)CCc1cn[nH]c1 67743212 FBABJDLJKGAWNY-UHFFFAOYSA-N 312.417 2.172 0 40 DEAB CCc1ccccc1NC(=O)[C@H]1[C@H](C(=O)O)[C@H]2C=C[C@@]1(C)O2 409377128 DXWQURQNJYBJRR-VMUDFCTBSA-N 301.342 2.232 0 40 DEAB Cc1ccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)nc1 1321766 WCVUCXAHMKQKRC-UHFFFAOYSA-N 321.336 2.219 0 40 DEAB biogenic O=C(Cc1cccc(Br)c1)NCCCn1ccnc1 123741713 HHDCOOYCFQRMOS-UHFFFAOYSA-N 322.206 2.395 0 40 DEAB CC(C)N(CC(=O)O)C[C@H]1CCN(C(=O)OC(C)(C)C)C1 79392394 GLPVGADMDZMGDF-LBPRGKRZSA-N 300.399 2.038 0 40 DEAB COC(=O)CCCS(=O)(=O)N(C)c1ccc(F)c(Cl)c1 183399722 RGSOEVCRGOEUAO-UHFFFAOYSA-N 323.773 2.198 0 40 DEAB CCn1cc(S(=O)(=O)Nc2cc(-c3cccs3)[nH]n2)cn1 77888163 REKPAAFXDLKZHR-UHFFFAOYSA-N 323.403 2.155 0 40 DEAB O=C(NCc1cc(Cl)ccc1OC(F)F)[C@H]1CCCN1 72512991 BUMRRMIAOMRKPZ-SNVBAGLBSA-N 304.724 2.310 0 40 DEAB CC(C)C(=O)Nc1ccc(Cc2noc(CCC(=O)O)n2)cc1 78400890 CCISKPBAKFHGQD-UHFFFAOYSA-N 317.345 2.272 0 40 DEAB Cc1cc(-c2cnc(NC[C@@H]3COCCO3)nc2C2CC2)on1 72340364 UTJNQJOXPNLNKB-GFCCVEGCSA-N 316.361 2.145 0 40 DEAB CN1CCC(N2CC[C@H](c3nnc(-c4ccncc4)o3)C2)CC1 49169596 AJSPALCVXIDRIB-AWEZNQCLSA-N 313.405 2.015 0 40 DEAB biogenic,in-vitro C[C@@H](SCC(=O)N[C@@H]1CCCCNC1=O)c1cccc(F)c1 78555780 MMORUSAJLXTKBP-BXUZGUMPSA-N 324.421 2.405 0 40 DEAB Cc1cccc(C(=O)N2C[C@@H](CNc3ncccn3)C[C@H]2C)n1 1068291284 VJHSDRRGWUYFDB-ZIAGYGMSSA-N 311.389 2.143 0 40 DEAB COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCCCC2)c1 82087287 OFUHVZAJCDHHIH-UHFFFAOYSA-N 317.794 2.301 0 40 DEAB Cc1nnsc1C(=O)N1CCC[C@H](c2nc(C(C)C)no2)C1 40714777 KHOFSJZWJUKUES-JTQLQIEISA-N 321.406 2.373 0 40 DEAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NCCC(=O)O 97160152 MTPIPQYSFLEEHM-CMDGGOBGSA-N 313.357 2.093 0 40 DEAB COC[C@@H]1CN(Cc2ccsc2)Cc2nnn(CC3CC3)c21 96060882 UTUQQKRFZYCZPV-AWEZNQCLSA-N 318.446 2.495 0 40 DEAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cccc2nccnc12 95478338 XLVGVFUGGNUCPV-NSHDSACASA-N 312.329 2.062 0 40 DEAB COCCOCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 96410172 CMMVPSFWXHXQEU-MRXNPFEDSA-N 306.406 2.079 0 40 DEAB COc1ccc(C)cc1CC(=O)N[C@@H]1CCc2nc(C)cn2C1 97198357 KQBFFCDDVLUUME-OAHLLOKOSA-N 313.401 2.182 0 40 DEAB O=C(c1cccc(F)c1)N1CCOC[C@H](Oc2cccnc2)C1 96113191 QOYLVDICYKAZKK-MRXNPFEDSA-N 316.332 2.141 0 40 DEAB biogenic,in-vitro COC(=O)[C@]1(F)CCN(C(=O)C[C@@H]2C[C@H]2c2ccccc2)C1 253417368 POKOOXBODDBTLB-ZQIUZPCESA-N 305.349 2.294 0 40 DEAB CC(=O)N1CCN(C(=O)c2ncccc2C)[C@@H](c2ccccc2)C1 257264904 LWLPVAYBIPJTOO-QGZVFWFLSA-N 323.396 2.436 0 40 DEAB O=C(c1cncnc1)N1CCC(c2cccc3nccn23)CC1 257205912 BBBANFQWITZAGW-UHFFFAOYSA-N 307.357 2.144 0 40 DEAB Cc1nccn1[C@@H]1CCC[C@@H](NC(=O)c2ccsc2)[C@H]1O 257298031 RJVBFZQOHQXQEU-MGPQQGTHSA-N 305.403 2.138 0 40 DEAB CC(=O)N1[C@H]2CCCCC(=O)N[C@@H]2C[C@H]1Cc1ccccc1 257241426 HXZZYBIWSMHLJQ-ZACQAIPSSA-N 300.402 2.277 0 40 DEAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1 257259529 KYTQQKOGZSTCIQ-GFCCVEGCSA-N 315.421 2.379 0 40 DEAB COC[C@@H](NC(=O)NC[C@H](O)c1cc(C)cc(C)c1)C1CC1 252489657 JVQFWJGRPYJBIY-CVEARBPZSA-N 306.406 2.061 0 40 DEAB O=C(C[C@H]1C=CCC1)Nc1cccc(N2C(=O)CCNC2=O)c1 390835313 KIBBIHVLJAHBKH-LBPRGKRZSA-N 313.357 2.428 0 40 DEAB Cc1cc(C)n2ncc(C(=O)NCCc3ccccc3F)c2n1 27607391 DPUJJXPPGNWERP-UHFFFAOYSA-N 312.348 2.458 0 40 DEAB CCCc1noc(CN2C(=O)[C@H](C)N(c3ccccc3)C2=O)n1 29626483 LQRZWJSEKWGNPU-NSHDSACASA-N 314.345 2.379 0 40 DEAB CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C[C@H]1CCCCO1 71821817 WIPRIHHQUHBYBW-CQSZACIVSA-N 321.808 2.349 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(S(C)(=O)=O)cc1 33207546 BVSKNYCZHNPZMZ-NSHDSACASA-N 307.371 2.044 0 40 DEAB Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CCOc3ccccc31)C2 72240568 HPRIGBCAJZWVAA-UKRRQHHQSA-N 311.385 2.189 0 40 DEAB C[C@H]1CCCCN1Cc1ccc(NC(=O)CC(=O)N(C)C)cc1 72301613 GOOZBFKKILHHKO-AWEZNQCLSA-N 317.433 2.478 0 40 DEAB CC1(C)COCCN1C(=O)c1cccc(CN2CCCC2=O)c1 60542545 LMOGEUIUISXTGT-UHFFFAOYSA-N 316.401 2.060 0 40 DEAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cc(C)on3)CC2=O)cc1 40467592 IMQBEPXQUKZJLH-AWEZNQCLSA-N 313.357 2.279 0 40 DEAB CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1ccc(C(F)F)cc1 548768453 BBYBYQYTWVDLRW-VIFPVBQESA-N 321.345 2.498 0 40 DEAB COc1ccc(CN2CCC[C@H](NC(=O)C3CC3)C2)cc1F 1006519963 ILPVCAOMFIKWAL-AWEZNQCLSA-N 306.381 2.325 0 40 DEAB CCOC(=O)C(C(=O)OCC)c1ccc(C(F)(F)F)cn1 2383396 LKTLPLGHHHQXTN-UHFFFAOYSA-N 305.252 2.310 0 40 DEAB O=C(O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCCNC1 12157317 NTUPJODXLTXQPF-ZBEGNZNMSA-N 306.337 2.163 0 40 DEAB CSCC[C@H]1NC(=S)N(c2ccc(F)cc2F)C1=O 14159705 MDTRGONRHSILHC-SECBINFHSA-N 302.371 2.308 0 40 DEAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nn3cnnc3)c2)cc1 14405832 SJHWMPZSJBQTEK-UHFFFAOYSA-N 321.340 2.223 0 40 DEAB Cc1cccnc1OCC1CCN(Cc2nnc(C)n2C)CC1 1848615248 AIFGSABWXKDNOK-UHFFFAOYSA-N 315.421 2.118 0 40 DEAB CN(C)C(=O)NC1CC2(CCN(C(=O)[C@@]3(C)CC=CCC3)C2)C1 1614928981 VDMYVNRTEVHRKL-GMXGEUMGSA-N 319.449 2.385 0 40 DEAB CN(C)Cc1cnc2n1CCN(C(=O)[C@@]1(C)CC=CCC1)CC2 1614946975 QLNDIVACJJXZQB-SFHVURJKSA-N 316.449 2.076 0 40 DEAB CO[C@H]1CO[C@@]2(CCN(C(=O)c3ccc4c(ccn4C)c3)C2)C1 2055835088 WNSKEQBOJNFVKW-QAPCUYQASA-N 314.385 2.198 0 40 DEAB O=C(c1ccco1)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 575618468 VWNKDAHXBLLAKQ-CYBMUJFWSA-N 323.352 2.467 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)c2cccnc2N2CCOCC2)[C@@H]1C 40007611 SDHGMDJVWKOJCA-FMKPAKJESA-N 317.433 2.473 0 40 DEAB O=C(CS(=O)(=O)c1ccc(F)cc1)N1CCc2ccccc21 40461094 LOUSZSUULQBBMX-UHFFFAOYSA-N 319.357 2.189 0 40 DEAB Cc1nn(C)c(C)c1C(=O)NCc1ccccc1Cn1ccnc1 40485500 RMSWKXJEYAWJCK-UHFFFAOYSA-N 323.400 2.212 0 40 DEAB CCn1cnnc1CNC(=O)c1cc(F)c(F)cc1Cl 40535096 IIVUQTAOLYQBFN-UHFFFAOYSA-N 300.696 2.160 0 40 DEAB O=C(NCCCOc1ccccc1F)c1ccc2[nH]nnc2c1 32263611 NYGIIAWZLKPLSX-UHFFFAOYSA-N 314.320 2.296 0 40 DEAB Cc1noc(C)c1CC(=O)O[C@@H](C)C(=O)Nc1ccccc1 21493668 YPNVLNRDVIZBET-LBPRGKRZSA-N 302.330 2.404 0 40 DEAB O[C@@H](COc1ccccc1)CSc1nnc2ccccn12 32750973 MHOGNFSHNUFMQM-LBPRGKRZSA-N 301.371 2.261 0 40 DEAB COc1ccc2c(=O)c(I)coc2c1 383220 RAMRIHLZEAHUBU-UHFFFAOYSA-N 302.067 2.406 0 40 DEAB Cc1c(C(=O)NC[C@H]2CCOC2)cnn1-c1ccc(F)cc1 41367172 VBQJAIBMZSSZCL-GFCCVEGCSA-N 303.337 2.086 0 40 DEAB CCCSCC(=O)NCc1cccnc1-n1ccnc1C 53179331 IOZXZZYWXGGBCG-UHFFFAOYSA-N 304.419 2.335 0 40 DEAB CCCNC(=O)CCNc1ccc2nnc(-c3ccccc3)n2n1 53576802 XIWJAAUUMMSKSR-UHFFFAOYSA-N 324.388 2.120 0 40 DEAB COc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 22698882 XYQATWMKJHDXPO-UHFFFAOYSA-N 303.387 2.392 0 40 DEAB COc1ccccc1CN(C)S(=O)(=O)N1CCC(C)CC1 23017551 JYQRRDWGFDXROY-UHFFFAOYSA-N 312.435 2.104 0 40 DEAB COc1nn(C)c2nc(C)c(CCC(=O)NC(C)C)c(C)c12 24823623 ZBYJTRYJTRFCSI-UHFFFAOYSA-N 304.394 2.051 0 40 DEAB Cc1cccc2[nH]cc(CCNC(=O)N3CCO[C@@H](C)C3)c12 72270919 KDPODZPDRQIEMY-ZDUSSCGKSA-N 301.390 2.449 0 40 DEAB CCOc1ccc(N2C[C@@H](C(=O)NCC(C)C)CC2=O)cc1 1459924 SDGCSZKFCGEDDK-ZDUSSCGKSA-N 304.390 2.210 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)NC[C@H]1C[C@H]2CC[C@H]1C2 107050730 ZCKJZHVOAXLXEH-OXMIEMGYSA-N 300.468 2.269 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCCc1ccc(F)cc1 6732071 KPKFEUXVAGLCGA-OSRDXIQISA-N 303.333 2.007 0 40 DEAB NC(=O)Cc1csc(NC(=O)[C@@H]2CCCc3ccccc32)n1 25673358 VGBUGGFLVHGPHB-CYBMUJFWSA-N 315.398 2.230 0 40 DEAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 57279931 YZNGMSVMDOBURG-LLVKDONJSA-N 322.430 2.479 0 40 DEAB CCn1cnnc1CNC(=O)N(C)[C@@H](C)c1ccccc1F 56402161 HVOIBFBSKPNUGT-NSHDSACASA-N 305.357 2.340 0 40 DEAB CCCCS[C@@H](C)C(=O)N(C)CC(=O)Nc1cc(C)on1 57444469 LFHIRAMCPIMOEF-NSHDSACASA-N 313.423 2.302 0 40 DEAB CCN1CCC(NC(=O)[C@H](C)Oc2cccc(C(C)=O)c2)CC1 58282492 BREHEIBQSLBHMV-AWEZNQCLSA-N 318.417 2.257 0 40 DEAB Cc1nc(C)c(Cc2nc(-c3ccc(C)c(F)c3)no2)c(=O)[nH]1 72274903 VZMKDLOFZYKLAU-UHFFFAOYSA-N 314.320 2.475 0 40 DEAB O=C(NC[C@@H]1Cc2ccccc21)c1ccnc(-n2ccnc2)c1 58328032 BLLSGLSKCLNUKK-HNNXBMFYSA-N 304.353 2.337 0 40 DEAB CC(C)N(Cc1ccccn1)C(=O)c1ccc(-n2cnnn2)cc1 58332450 GPGIEEBGDCRVHY-UHFFFAOYSA-N 322.372 2.108 0 40 DEAB Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]1C(=O)O 36829328 NGLSCJVKBNNDBG-LLVKDONJSA-N 312.163 2.447 0 40 DEAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cccnc1 46361897 BSMMAILVYVNYEO-UHFFFAOYSA-N 310.279 2.337 0 40 DEAB CC(=O)NCCNC(=O)c1ccc(C2SCCS2)cc1 12685860 RNZYGPSGIVLWIZ-UHFFFAOYSA-N 310.444 2.031 0 40 DEAB CCNC(=O)c1ccc(NC(=O)NCc2cccnc2)c(C)c1 48108758 MLWKVPBVBKXLMC-UHFFFAOYSA-N 312.373 2.461 0 40 DEAB C[C@H](Cn1ccnc1)NC(=O)c1cc(Cl)c(Cl)n1C 48128800 SWGFSDGQTKJGAN-MRVPVSSYSA-N 301.177 2.347 0 40 DEAB COc1ccccc1OCC(=O)NCCCN1CCC(C)CC1 10540247 MQNKJFUZAMQCSQ-UHFFFAOYSA-N 320.433 2.312 0 40 DEAB CCOc1ncccc1CNC(=O)N(CC)C[C@@H]1CCOC1 48311756 ONMKRVAPYNZCTR-ZDUSSCGKSA-N 307.394 2.048 0 40 DEAB CNCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 48784589 BCLCRIPSWYODFR-UHFFFAOYSA-N 301.356 2.437 0 40 DEAB Cc1cccc(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c1C 3607749 YRMLWMKUUTXFKH-UHFFFAOYSA-N 315.373 2.107 0 40 DEAB CNS(=O)(=O)c1cc(Cl)cc(Br)c1OC 13009507 PHPWTRDJCWYWRW-UHFFFAOYSA-N 314.588 2.019 0 40 DEAB O=C(NC[C@@H]1CCCO1)c1nn(-c2ccccc2)c2c1CCC2 13005873 HRSSUIASKNDMHR-AWEZNQCLSA-N 311.385 2.270 0 40 DEAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cn1 72330244 RFOPKXBLHFUARX-UHFFFAOYSA-N 306.268 2.464 0 40 DEAB C[C@@H](CCc1ccccc1)NC(=O)c1cnc2ccccn2c1=O 5053672 CTNKQHRVAXEYAV-AWEZNQCLSA-N 321.380 2.446 0 40 DEAB O=C(COc1cccc(C(=O)NCc2ccccc2)c1)NC1CC1 5090004 CPDBVFPRKCLHBB-UHFFFAOYSA-N 324.380 2.274 0 40 DEAB O=C(N[C@@H](CO)c1ccccc1)c1csc([C@@H]2CCCO2)n1 97232937 UBNMLZFBNINULN-JSGCOSHPSA-N 318.398 2.458 0 40 DEAB Cc1cccc2nc(CN3Cc4ccccc4C[C@H]3C(N)=O)cn12 65492790 XYLQRFDTZVOEQV-KRWDZBQOSA-N 320.396 2.055 0 40 DEAB CCc1nnc(NC(=O)Cc2ccc(NC(C)=O)cc2)s1 14085236 XIDOEXSXDANTAC-UHFFFAOYSA-N 304.375 2.240 0 40 DEAB CCOc1ncccc1CNC(=O)Nc1ccc(N(C)C)nc1 65593588 KDGIYQRCMPKLLB-UHFFFAOYSA-N 315.377 2.263 0 40 DEAB COc1ccc(CCNC(=O)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 65590287 MVIUIDIQGIHDCV-CHWSQXEVSA-N 322.405 2.065 0 40 DEAB O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CCC(O)CC1 65578929 JYHOOFHEILTHLN-UHFFFAOYSA-N 317.389 2.460 0 40 DEAB CSc1ccc(C(=O)Nc2ccc3nc[nH]c(=O)c3c2)cn1 65523885 KVYMTUYVPGVOEJ-UHFFFAOYSA-N 312.354 2.292 0 40 DEAB CCCn1c(SCC(=O)c2c[nH]c3ccccc23)n[nH]c1=O 6482211 LIWUICCSHAZOIS-UHFFFAOYSA-N 316.386 2.438 0 40 DEAB CCN(CC)CC(=O)NCc1cc(-c2ccc(OC)cc2)no1 5643826 JTNKUTNKSGQTCO-UHFFFAOYSA-N 317.389 2.308 0 40 DEAB Cn1cc(CCOC(=O)c2cccc(NC(=O)C3CC3)c2)cn1 95397431 ZBTOYVZIAAHZOT-UHFFFAOYSA-N 313.357 2.168 0 40 DEAB CN(Cc1ccccc1F)C(=O)COC(=O)c1ccccc1O 7193062 DCXVONMVPLNUKP-UHFFFAOYSA-N 317.316 2.347 0 40 DEAB Cc1ccc(S(C)(=O)=O)c(NC(=O)NCc2cc(C)on2)c1 67583582 GRRXQMITEIVAOS-UHFFFAOYSA-N 323.374 2.017 0 40 DEAB CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc(F)cc(F)c1 67620860 UXOAXTGRXZSLFA-CQSZACIVSA-N 310.344 2.438 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)COc1ccc2ccccc2c1 7627277 AKYWEZSLDPCUIX-CYBMUJFWSA-N 314.385 2.250 0 40 DEAB O[C@@]1(CNC2CCN(Cc3ccccc3Cl)CC2)CCOC1 90850327 GWLNDUKJARUBBJ-QGZVFWFLSA-N 324.852 2.045 0 40 DEAB C[S@](=O)CCCNC(=O)c1ccc(Cl)c2cccnc12 71896505 VQQQYDGFDKDFFS-HXUWFJFHSA-N 310.806 2.387 0 40 DEAB COc1ccc(-c2nnn(CC3(O)CCCCC3)n2)cc1OC 71821919 XGTHPMOJULIQSZ-UHFFFAOYSA-N 318.377 2.053 0 40 DEAB CCc1noc(C)c1C(=O)N1CCCN(c2nccs2)CC1 71830867 DGINNMRYGDJRGK-UHFFFAOYSA-N 320.418 2.354 0 40 DEAB C[C@H](CNC(=O)c1cccc2ccccc12)N1CCN(C)CC1 71867442 FYYWBYQHFXUILR-OAHLLOKOSA-N 311.429 2.206 0 40 DEAB COC(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCC3)C2)cc1 69696429 YLAWWHHRIPPVBX-MRXNPFEDSA-N 316.401 2.174 0 40 DEAB COc1ccc2cc(CN3CCN4C(=O)NC[C@H]4C3)ccc2c1 91864146 GTPSBADMXHSJOR-INIZCTEOSA-N 311.385 2.058 0 40 DEAB O=C(Nc1cn[nH]c1)N[C@H]1CCCN(c2cccc(F)c2)C1 71909544 ZFYNQRURSXFNRJ-LBPRGKRZSA-N 303.341 2.339 0 40 DEAB Cc1cccc(S(=O)(=O)Oc2cccc(-n3cncn3)c2)c1 71914944 SJKRRSXTFQNRAD-UHFFFAOYSA-N 315.354 2.343 0 40 DEAB Cc1nc(CN2CCCN(C(=O)c3ccc[nH]3)CC2)cs1 69951614 XBBNKNXYCWMMLM-UHFFFAOYSA-N 304.419 2.128 0 40 DEAB Cc1ccc([C@H](C)C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1 84148640 NWLQTERQUMABPV-JQHSSLGASA-N 316.445 2.156 0 40 DEAB C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(CCC(=O)O)cc1 95425525 UJGWENIDCALSSB-LLVKDONJSA-N 320.389 2.193 0 40 DEAB CN(C(=O)c1cccc2cc[nH]c12)[C@H]1CCC[C@@H]1S(C)(=O)=O 85295446 JJRLERBISJUSLU-KBPBESRZSA-N 320.414 2.206 0 40 DEAB COc1ccc2c(c1)OC[C@@H](NCc1cnccc1N(C)C)C2 95940050 XFTFIKGXFUNCPN-HNNXBMFYSA-N 313.401 2.250 0 40 DEAB CN1C[C@H](C(=O)N2CCc3c2cccc3C(F)(F)F)CC1=O 95940121 GRZZBWWOSZHIQV-SECBINFHSA-N 312.291 2.073 0 40 DEAB CN1C[C@@H](C(=O)N2CCc3c2cccc3C(F)(F)F)CC1=O 95940122 GRZZBWWOSZHIQV-VIFPVBQESA-N 312.291 2.073 0 40 DEAB CC(C)n1cnc2cc(C(=O)N3CCC[C@H](CN)C3)ccc21 95971554 XAMKISKULFLEPB-CYBMUJFWSA-N 300.406 2.428 0 40 DEAB Cn1cc(/C=C/C(=O)Nc2cc(CC(C)(C)C)nn2C)cn1 75134431 PYUYVYKOJPLKRX-VOTSOKGWSA-N 301.394 2.394 0 40 DEAB Cc1cn2nc(N3CCC(C4(C)OCCO4)CC3)sc2n1 75110524 MRALLTYEPSLINO-UHFFFAOYSA-N 308.407 2.079 0 40 DEAB O=C(NC[C@]1(O)CCSC1)N[C@H](c1ccc(F)cc1)C1CC1 89782817 AQDSSDUIXLHCPH-GOEBONIOSA-N 324.421 2.444 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)C2(c3cccs3)CCCCC2)C1 89799952 MVBWFXPSLBCJAN-GFCCVEGCSA-N 306.431 2.284 0 40 DEAB CCOc1ccccc1NC(=O)c1cc(=O)c(OCC)cn1C 23135576 KAYCUZWOYOOGQI-UHFFFAOYSA-N 316.357 2.435 0 40 DEAB COC(=O)c1ccc([C@H]2NCC[C@@]23C(=O)Nc2ccccc23)cc1 62001629 UZAHARYZRYRNPW-APWZRJJASA-N 322.364 2.398 0 40 DEAB biogenic CC(=O)Nc1nc2c(s1)COCC21CCN(C2CC2)CC1 306132171 LARGDFIUMLQPSH-UHFFFAOYSA-N 307.419 2.128 0 40 DEAB C[C@@]1(CNC(=O)N(Cc2cccs2)C2CC2)CCC(=O)N1 517221014 ITVHIDLOWCRXMS-HNNXBMFYSA-N 307.419 2.091 0 40 DEAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)C3)cc1 3845259 XIOQLWPNGSGIHE-UHFFFAOYSA-N 302.355 2.290 0 40 DEAB biogenic CC[C@@H](C)Nc1ccc(C(=O)O)cc1S(=O)(=O)NC(C)C 217415745 QEJLPIAUQAACEJ-SNVBAGLBSA-N 314.407 2.282 0 40 DEAB Cc1noc(C)c1CCC(=O)N(C)Cc1c(C)nn(C)c1C 72240515 YMLTYSZDWALJCA-UHFFFAOYSA-N 304.394 2.233 0 40 DEAB CO[C@H]1COCCN(C(=O)c2cc(C)oc2C(F)(F)F)C1 77265662 OUFHYMLIFDQXFH-SECBINFHSA-N 307.268 2.094 0 40 DEAB biogenic,in-vitro CC(C)(NCC(=O)N1CCOCC1)c1ccc(F)cc1Cl 79311729 PQVGXLAPKYGONJ-UHFFFAOYSA-N 314.788 2.163 0 40 DEAB Cc1nc(NS(=O)(=O)c2cnn(C(C)C)c2)sc1C 72239159 MHHKPJUOBYCKEE-UHFFFAOYSA-N 300.409 2.338 0 40 DEAB O=C(CCc1ccccc1)NCC1CCN(c2cnccn2)CC1 70930284 AQVGBGGDISVDOT-UHFFFAOYSA-N 324.428 2.442 0 40 DEAB O=C(Cc1cccs1)NC[C@@]1(O)CCOc2ccccc21 75158082 DGIMJUZFQFJOBB-INIZCTEOSA-N 303.383 2.077 0 40 DEAB CC1CCN(C(=O)c2cnc(C[C@H]3CCCN(C)C3)cn2)CC1 72387200 PZWJUJPTMUHPAT-OAHLLOKOSA-N 316.449 2.233 0 40 DEAB CCn1nc(C)c2c1cnn2CC(=O)Nc1ccc(Cl)cn1 46087524 SLJBUBSZNSQEIL-UHFFFAOYSA-N 318.768 2.248 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 225497878 HNDBUXLBYKSLKI-AJNGGQMLSA-N 320.433 2.263 0 40 DEAB Cc1nc(C)c(CN2C(=O)N[C@](C)(c3cccnc3)C2=O)s1 85268047 DYAIMWVWBWAKPW-OAHLLOKOSA-N 316.386 2.122 0 40 DEAB CCNC(=O)[C@]1(C)CC(c2cnc(-c3ccccc3)nc2)=NO1 226082974 UDWIOLSQIZVLSO-KRWDZBQOSA-N 310.357 2.163 0 40 DEAB Cc1cc(C)c2c(c1)CCN(c1nc(N)c3cnn(C)c3n1)C2 225516066 LXLDFUZZZAJZGW-UHFFFAOYSA-N 308.389 2.125 0 40 DEAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2C(=O)N1CCCC1 96252255 BNRWNZNIESIOIH-CABCVRRESA-N 318.421 2.013 0 40 DEAB Brc1cnc(OC2(c3nccs3)COC2)nc1 96319392 PPJRAUBNRWSSSF-UHFFFAOYSA-N 314.164 2.000 0 40 DEAB O=C(c1ccc[nH]1)N1CCC[C@]2(CCN(c3cccnc3)C2=O)C1 96224552 USDNKRQDTFHFAT-SFHVURJKSA-N 324.384 2.069 0 40 DEAB O=C1c2ccccc2C(=O)N1[C@@H](c1ccccc1)c1nc[nH]n1 95532251 CGFUWLOQBDUXTO-AWEZNQCLSA-N 304.309 2.190 0 40 DEAB CS[C@H]1CCC[C@H](NC(=O)[C@H](C(C)C)N2CCCC2=O)C1 96409385 NEAPOEICBUWVGQ-YDHLFZDLSA-N 312.479 2.424 0 40 DEAB Cc1ccc([C@@H]2CSCCN2S(=O)(=O)c2cccnc2)o1 96428701 AEIODHYEVXXPCH-ZDUSSCGKSA-N 324.427 2.462 0 40 DEAB Cc1noc(C)c1CCNC(=O)NC[C@](C)(O)c1ccsc1 96419921 NWCKNABNLJIPLX-HNNXBMFYSA-N 323.418 2.102 0 40 DEAB CC(C)(CN[C@H]1CCc2cccnc2CC1)C1(O)CCOCC1 333797088 XKRNQMJMHFMMKA-INIZCTEOSA-N 318.461 2.486 0 40 DEAB O=C(Cc1ccccn1)N1CCN(CC2CC2)c2ncccc2C1 96198922 MHOWIQBXLCHABP-UHFFFAOYSA-N 322.412 2.278 0 40 DEAB CN(C)C(=O)[C@@H]1CCC2(CCN(Cc3cccs3)CC2)O1 96061120 UAUXTIXIFPNDSU-AWEZNQCLSA-N 308.447 2.350 0 40 DEAB Cc1cnc(N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)nc1 96077549 GAFHSIJILOLPCE-MRXNPFEDSA-N 314.414 2.480 0 40 DEAB CCO[C@H]1C[C@@H](N(C)CCS(=O)(=O)CC)C12CCCC2 96419750 KSORPEFEXMJUAM-KGLIPLIRSA-N 303.468 2.091 0 40 DEAB Cc1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3Oc2ccccn2)no1 96041882 HMKFUYOLULEJCU-ZMSDIMECSA-N 315.373 2.189 0 40 DEAB Cc1ccc([C@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)s1 95117798 LSLALUDBRVYLGC-MRVPVSSYSA-N 303.339 2.356 0 40 DEAB O=C(C1CCC(O)CC1)N1CCCN(c2ccc(F)cc2)CC1 252482865 DPJHEAHXLUFQIG-UHFFFAOYSA-N 320.408 2.416 0 40 DEAB Cc1nccc(CN2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)n1 257252355 JUNMIWXMLWFFGR-FHLIZLRMSA-N 310.401 2.469 0 40 DEAB Cc1ccccc1CN1CC[C@@]1(CCCc1cnccn1)C(N)=O 257315300 VASKTKUJKBLJRU-IBGZPJMESA-N 324.428 2.238 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)O)CC2)cc1 263522755 IAZVLIPTGKBTHY-CABCVRRESA-N 303.358 2.086 0 40 DEAB CNc1cc(C)nc([C@]2(C)CCCN2C(=O)c2coc(C)n2)n1 72388469 IHOYPJHQBWLODF-INIZCTEOSA-N 315.377 2.275 0 40 DEAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(=O)n(C)c1 48961806 VQQRGDAQIMFXPJ-UHFFFAOYSA-N 312.778 2.148 0 40 DEAB COc1ccc(CNC(=O)N[C@@H]2CCC23CCOCC3)cc1 585409931 WZSDJJIUWNZAMV-OAHLLOKOSA-N 304.390 2.454 0 40 DEAB CCN(CCOC[C@@H]1CCCO1)C[C@@H]1COc2ccccc2O1 89969222 RIPPSRILOKIQDE-JKSUJKDBSA-N 321.417 2.344 0 40 DEAB CCOC(=O)CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O 1144396 IGVUDFABMRVHSK-XFFZJAGNSA-N 309.318 2.425 0 40 DEAB Cc1cnc(C(=O)N2CCC[C@H](c3nc(C4CC4)no3)C2)cn1 12364740 NKGZJVDBXHZWAQ-LBPRGKRZSA-N 313.361 2.065 0 40 DEAB CC(C)c1ccc(Cc2nnc(NCCCO)nc2O)cc1 13115385 IYIDXIFDXKIKOL-UHFFFAOYSA-N 302.378 2.086 0 40 DEAB Cc1ccc(NC(=O)NC[C@H](C(C)C)N2CCOCC2)cc1 13964504 XQUFCHKLHPAWNO-MRXNPFEDSA-N 305.422 2.473 0 40 DEAB COc1ccc(C(=O)Nc2nnc3n2CCCS3)cc1OC 16959679 BVODUDQBVWWARS-UHFFFAOYSA-N 320.374 2.043 0 40 DEAB CCc1ccccc1NC(=O)CSc1nc(C)cc(=O)[nH]1 17972167 XGJQMXIDQYAWBA-UHFFFAOYSA-N 303.387 2.372 0 40 DEAB O=C(NCc1cccs1)N[C@H]1CCN(c2nccs2)C1 206816529 MBTJLFXJXXLPFS-JTQLQIEISA-N 308.432 2.283 0 40 DEAB COc1ccc(N/N=c2\c(C)nc3ccccc3[nH]c2=O)cc1 8299602 MOCJBSOHHAUKIS-UHFFFAOYSA-N 308.341 2.168 0 40 DEAB Cc1cnc(C(=O)OCC(=O)NC2CCCCCCC2)cn1 3238820 SUMBOVNIXWQCIW-UHFFFAOYSA-N 305.378 2.171 0 40 DEAB C[C@@H]1Sc2ccc(C(=O)Nc3nncs3)cc2NC1=O 21213014 RXUDXZAEMYCVGE-LURJTMIESA-N 306.372 2.223 0 40 DEAB CC(=O)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 2037834923 IGKHQVMWDTVYRI-UHFFFAOYSA-N 317.418 2.478 0 40 DEAB CCN1C(=O)CC[C@@]12CCCN(c1nc(C)cc(C)n1)CC2 1565541831 WPMJMHAEAJWAKJ-QGZVFWFLSA-N 302.422 2.465 0 40 DEAB O=C(Nc1cccc(N2CCCS2(=O)=O)c1)c1ccco1 5339201 ZJHVZTBUVDVQIK-UHFFFAOYSA-N 306.343 2.072 0 40 DEAB CN1C(=O)c2cc(NS(C)(=O)=O)ccc2Oc2ccccc21 9827876 KJRWCQDRLZBADI-UHFFFAOYSA-N 318.354 2.440 0 40 DEAB O=C(NCc1nnnn1C1CCCCC1)NC1CCCCC1 10608495 USVSEDITCMYRLL-UHFFFAOYSA-N 306.414 2.310 0 40 DEAB CCCS(=O)(=O)NCC1CCN(Cc2ccccc2)CC1 38583503 WFMXNPWZKCIKGF-UHFFFAOYSA-N 310.463 2.228 0 40 DEAB COc1ccc(NC(=O)Cn2nc(C3CC3)ccc2=O)c(C)c1 575620792 SYIWGBSRTNMIIN-UHFFFAOYSA-N 313.357 2.076 0 40 DEAB O=C(CNC(=O)c1ccoc1)Nc1ccc(Br)cc1 30715561 MPYKILIXNIYUQE-UHFFFAOYSA-N 323.146 2.411 0 40 DEAB Cc1ccccc1-n1nnnc1C1(N2CCOCC2)CCCC1 20123695 FFNJTHYHTFMLFE-UHFFFAOYSA-N 313.405 2.072 0 40 DEAB O=C1CCCN1C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101058071 PJOKVFOLMGZFIH-VGWMRTNUSA-N 302.418 2.202 0 40 DEAB Cc1ccc(OCC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 41122156 XVQWXIHXQXNMGH-AWEZNQCLSA-N 315.373 2.471 0 40 DEAB CC(=O)N1CCC(CNC(=O)N(C)Cc2ccccc2C)CC1 105313482 SDOUEWGOXRLQOE-UHFFFAOYSA-N 317.433 2.395 0 40 DEAB O=C(NCc1ccccc1OC(F)(F)F)C1=COCCO1 9076919 SDVYNYZJWRKVKC-UHFFFAOYSA-N 303.236 2.090 0 40 DEAB NC(=O)[C@H]1CCN(c2ccc3cc(Br)ccc3n2)C1 77490056 CFKXCLGOKUICBI-JTQLQIEISA-N 320.190 2.309 0 40 DEAB CCOC(=O)c1nnc2ccccc2c1N1CCOC(C)(C)C1 77898971 RBZHJFCKTURVGV-UHFFFAOYSA-N 315.373 2.422 0 40 DEAB Cc1nnc(CS(=O)(=O)Cc2c(F)cccc2Cl)o1 78729596 WIKWNOJGBPXRAJ-UHFFFAOYSA-N 304.730 2.286 0 40 DEAB C[C@H](c1ccccc1)n1cc(C(=O)NCc2ccncc2)nn1 4083282 CZRAAWLDMZYKFO-CYBMUJFWSA-N 307.357 2.212 0 40 DEAB CCCNC(=O)NC(=O)COC(=O)c1oc2ccccc2c1C 4581847 GQXNGEDDVHGYIJ-UHFFFAOYSA-N 318.329 2.134 0 40 DEAB C[C@H]1CCCN(C[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)C1 55400701 UGQVJTIKUXFGOB-QWHCGFSZSA-N 304.390 2.266 0 40 DEAB CCOC(=O)N[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccccc1 6843712 PBLUWWZSXNNJMQ-GJZGRUSLSA-N 320.389 2.159 0 40 DEAB NC(=O)c1cccc(CNC(=O)C2(c3ccc(F)cc3)CC2)c1 25334297 BZIFUKNLZBQGMC-UHFFFAOYSA-N 312.344 2.273 0 40 DEAB COc1ccc(S(=O)(=O)NCc2ccco2)c2cccnc12 1430846 JCIZOOYTHGLTKJ-UHFFFAOYSA-N 318.354 2.315 0 40 DEAB Cc1ocnc1CN1C(=O)N[C@@](C)(c2cc(F)ccc2F)C1=O 95442153 MOGIDJSLMWTULI-HNNXBMFYSA-N 321.283 2.228 0 40 DEAB CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1C 26101801 JJJBXJSNIQTWQC-QMMMGPOBSA-N 311.432 2.002 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)Cc1nc(C2CC2)no1 43999739 YVDTVTVGEMFHET-UHFFFAOYSA-N 301.346 2.350 0 40 DEAB O=C1CCCN1C[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108349007 KHPYIQHBMOJHDW-CAOSSQGBSA-N 304.434 2.426 0 40 DEAB O=C(CC1CCCCC1)Nc1cnn(CC(=O)NC2CC2)c1 58167324 QQELHOQTUVLXFU-UHFFFAOYSA-N 304.394 2.071 0 40 DEAB O=C(Cn1cc(NC(=O)c2ccccc2)cn1)NC1CCCC1 58280349 CYTOYPBGOMMGAU-UHFFFAOYSA-N 312.373 2.194 0 40 DEAB Cc1cc(CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)no1 58208577 XNZZONNWHWMWLJ-CYBMUJFWSA-N 323.393 2.389 0 40 DEAB COC(=O)COc1cccc(NC(=O)CCc2ccco2)c1 24950677 QMGJKWOSPUHNOA-UHFFFAOYSA-N 303.314 2.403 0 40 DEAB Cc1ccccc1OCC(=O)Nc1ccc(O)c(C(=O)O)c1 20143751 BAPLZOXSIRQCHW-UHFFFAOYSA-N 301.298 2.416 0 40 DEAB Cc1cc(-c2nnc(SCC(=O)Nc3nccs3)o2)no1 2225571 XPCKAASHTYHAAQ-UHFFFAOYSA-N 323.359 2.220 0 40 DEAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)NCc1ccc(F)c(C)c1 72276866 CPQAFDJZYCZBHR-RYUDHWBXSA-N 309.385 2.237 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2c(C)noc2C)c(C)nn1C 72234293 QJHOUXOGOLQFHJ-LBPRGKRZSA-N 318.377 2.319 0 40 DEAB COC(=O)N1C=C[C@@H]2C=C[C@H]1[C@@H]1C=CC=C[C@@H]2N1C(=O)OC 101042617 LHTMCOCGMAIDGL-XUXIUFHCSA-N 302.330 2.068 0 40 DEAB COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2sccc2C)C1 57315178 RVLZLHSQAOMSQX-QWHCGFSZSA-N 324.446 2.060 0 40 DEAB C[C@@H](NC(=O)N1CCC[C@@H]1Cc1ccccc1)c1nncn1C 46962096 PALUBHGPMRRVNS-UKRRQHHQSA-N 313.405 2.293 0 40 DEAB CCNC(=O)NC[C@H](c1ccc(Cl)cc1)N1CCOCC1 62465740 DVMZRZUGPWTXMX-CQSZACIVSA-N 311.813 2.032 0 40 DEAB Cc1nn2c(=O)cc(CN[C@@H](C)c3cccc(F)c3)nc2s1 48367188 JDGFURXEZCZXMA-VIFPVBQESA-N 318.377 2.449 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cc1cccs1)CC2 95400621 RNQWWSRSIOLWIZ-KGLIPLIRSA-N 309.431 2.069 0 40 DEAB C[C@]1(c2nc(-c3ccncc3)no2)Oc2ccccc2NC1=O 4089284 IOYCHCJNBNXNFC-INIZCTEOSA-N 308.297 2.378 0 40 DEAB NC(=O)c1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 6290005 KJHFDPRUMZQFBE-QGZVFWFLSA-N 324.380 2.358 0 40 DEAB Cc1c(C(=O)NC[C@H]2CCOC2)[nH]c2c1C(=O)CC(C)(C)C2 65399538 LTWOFVCQPSPIKI-LLVKDONJSA-N 304.390 2.245 0 40 DEAB CC(C)CN(C(=O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 4504337 JBRZYNZHXWODSN-AWEZNQCLSA-N 301.452 2.238 0 40 DEAB C[C@]12N=NC[C@H]1C(=O)N(c1cccc(Br)c1)C2=O 4783791 HMDJQUYFABGKBN-CABZTGNLSA-N 308.135 2.163 0 40 DEAB CC[C@]1(C(=O)O)CN(C(=O)OCc2ccccc2)CCC1=O 66354523 UPTYIDNXCOGZAM-INIZCTEOSA-N 305.330 2.079 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cc(-c3ccccc3)[nH]n2)c(=O)[nH]1 7118648 KNFCSKRIEJNYSE-UHFFFAOYSA-N 322.368 2.312 0 40 DEAB CC(C)c1nc(CN2CCN(Cc3cccc(O)c3)CC2)no1 81019058 ALWPFWYMAFJVOB-UHFFFAOYSA-N 316.405 2.216 0 40 DEAB C[C@@H]1Sc2ccc(C(=O)NCc3ccccn3)cc2NC1=O 7986908 IPLNHEWYXSSFRX-JTQLQIEISA-N 313.382 2.444 0 40 DEAB COC(=O)[C@@H](C)N(Cc1csc(-c2ncccn2)n1)C1CC1 69564372 MGHOBHCIPDSEPH-SNVBAGLBSA-N 318.402 2.126 0 40 DEAB O=C([C@H]1COc2ccccc2C1)N1CCC[C@@H](n2ccnc2)C1 69655472 LVQFTLWOXNEXEE-HZPDHXFCSA-N 311.385 2.298 0 40 DEAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCc2cncnc2C1 69707498 UWGPFMZGRNDIRC-AWEZNQCLSA-N 322.412 2.203 0 40 DEAB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc[nH]c1=O 8775121 WRBFUARYFMFUQU-UHFFFAOYSA-N 306.749 2.309 0 40 DEAB Nc1c(C(=O)NCCc2ccccc2)cnn1-c1ccccc1 8844423 BRTZDDMLURQRKZ-UHFFFAOYSA-N 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MBOVRONGTYUHTH-UHFFFAOYSA-N 315.354 2.357 0 40 DEAB COc1ccccc1CNC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)O 35898181 UBLKZTYOVDUFHT-KOZAUXTDSA-N 315.369 2.224 0 40 DEAB C[C@H](NS(=O)(=O)c1c[nH]c2ncccc12)c1nccs1 79354776 OIYFKZYTCSRXQM-QMMMGPOBSA-N 308.388 2.059 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2nc(C)no2)c(C)c1 563416960 MUFHBMZRELYAGB-NSHDSACASA-N 309.391 2.377 0 40 DEAB CN(C)C(=O)Cc1ccc(-c2nn3cnnc3s2)cc1Cl 41126933 RQWVKIIQYYICNX-UHFFFAOYSA-N 321.793 2.137 0 40 DEAB COc1cc(OC)cc(-c2nnc(SCCC(=O)O)[nH]2)c1 224972488 DUFGMFKEHNDKFC-UHFFFAOYSA-N 309.347 2.056 0 40 DEAB Cc1cc(CCNC(=O)c2cc(-c3ccccc3)nn2C)on1 77122252 KICVZRINQAVDLJ-UHFFFAOYSA-N 310.357 2.356 0 40 DEAB CC(C)CN1CCCC[C@H]1CNC(=O)Nc1cccn(C)c1=O 195570025 RIWOYINXJFHNCG-AWEZNQCLSA-N 320.437 2.017 0 40 DEAB O=C(Cn1nnc2c1CCCC2)N1CC[C@@H](Cc2ccccc2)C1 573980288 SWVLIYXDWGBKLT-INIZCTEOSA-N 324.428 2.248 0 40 DEAB NC[C@@H]1CCN(c2ccccc2Oc2ccccc2)S1(=O)=O 222546174 GCKXCWGGJJIXPJ-AWEZNQCLSA-N 318.398 2.346 0 40 DEAB Cc1ncc(CN2CC[C@@H](NC(=O)c3ccc[nH]3)[C@H](C)C2)s1 96419304 OPCZXMNOTIFGFJ-BXUZGUMPSA-N 318.446 2.420 0 40 DEAB Cc1cnc(N2CCC3(CC2)C[C@H]3C(=O)NC2CCC2)nc1 96227815 VZQWHOISYHMLPV-AWEZNQCLSA-N 300.406 2.060 0 40 DEAB C[C@H](O)[C@H]1CCN(C(=O)NCCCN(C)c2ccc(F)cc2)C1 96502512 JGJSKXGCGWCXHW-KBPBESRZSA-N 323.412 2.064 0 40 DEAB O=C(CC1CC1)N[C@@H]1CCc2c(ccc(=O)n2CC2CC2)C1 96189752 SDVIAWVVWOJKNP-OAHLLOKOSA-N 300.402 2.032 0 40 DEAB C[C@@H](Cc1ccc(O)cc1)NC(=O)c1cccc(-n2cccn2)n1 96482442 ODEQUQZGXVODAL-ZDUSSCGKSA-N 322.368 2.334 0 40 DEAB Cc1ccc(CNC(=O)CCc2nncn2-c2ccccc2)n1C 96430457 OUIWCPOGCJDNND-UHFFFAOYSA-N 323.400 2.163 0 40 DEAB COC(=O)[C@H]1CCn2c(nnc2[C@@H](C)Oc2ccccc2F)C1 601045251 UPEDKSIAMCAIIQ-MNOVXSKESA-N 319.336 2.293 0 40 DEAB C[C@@](O)(CNC(=O)c1ccc2c(c1)OCO2)Cc1ccsc1 618257274 TZIIENGZAKZNPF-INIZCTEOSA-N 319.382 2.200 0 40 DEAB Cn1nc(CNC(=O)c2ccc3nsnc3c2)cc1C1CC1 96099316 BAJMCAACSJOJFG-UHFFFAOYSA-N 313.386 2.232 0 40 DEAB CC(C)CC(=O)N1CC2(C[C@@H](Oc3ncccc3F)CCO2)C1 575403328 HGNCVNDZIQCYNV-ZDUSSCGKSA-N 322.380 2.406 0 40 DEAB CCn1cc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cn1 575410720 CGXPFUJMIIDABF-LSDHHAIUSA-N 310.357 2.073 0 40 DEAB Cc1ccc2cc(C(=O)N3CC[C@]4(CCCO4)C(=O)C3)[nH]c2c1 585288443 ASWNWZSFZNNMPP-GOSISDBHSA-N 312.369 2.441 0 40 DEAB O=C(OCCN1CCNC1=O)c1ccc(Cl)cc1Cl 67180130 DFAGMMNPVYDCJB-UHFFFAOYSA-N 303.145 2.175 0 40 DEAB N[C@@H]1CC12CC(NC(=O)N1CCC(CC(F)(F)F)CC1)C2 1551583123 SGDZPRUDZTUNEK-QWKFWESOSA-N 305.344 2.240 0 40 DEAB Cc1csc2c(N3CCC[C@H](NC(=O)C4CC4)C3)ncnc12 1058098051 DNOPPEXDIPEMOT-LBPRGKRZSA-N 316.430 2.495 0 40 DEAB O=C(Nc1ccc(Cc2nnc3ccccn23)cc1)[C@@H]1CCCO1 78617928 ZWLOOCKHXXMWNG-HNNXBMFYSA-N 322.368 2.438 0 40 DEAB CCC[C@H](C)N(C)C(=O)Cn1nc(-c2ccccc2)oc1=O 40515556 QKGHKAWRBCWDLO-LBPRGKRZSA-N 303.362 2.150 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)CCO1 76086134 XDHIYSROOAZEEZ-WBVHZDCISA-N 320.433 2.291 0 40 DEAB CNS(=O)(=O)CCCSc1nc2ccccc2s1 58425940 YBOUVNKMOKVUSQ-UHFFFAOYSA-N 302.446 2.328 0 40 DEAB CC(=O)NCCNC(=O)c1ccccc1SCc1ccco1 40012833 SXCXJWSIGHPLTL-UHFFFAOYSA-N 318.398 2.438 0 40 DEAB Cc1cc(C)n(-c2ccc(N3CCC4(CC3)OCCO4)nc2)n1 80769229 AKISDQHXDIEJJM-UHFFFAOYSA-N 314.389 2.227 0 40 DEAB COc1cccc(F)c1[C@@H](C)NC(=O)NCc1nccn1C 96440530 INPLJBQHUZGKGK-SNVBAGLBSA-N 306.341 2.128 0 40 DEAB COc1ccc(S(=O)(=O)N2CC(C(F)F)C2)cc1Cl 585391291 JMRYYTMUFVWCCZ-UHFFFAOYSA-N 311.737 2.234 0 40 DEAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)NC(C)(C)C 5703608 YSQCHZIRTNIKPV-UHFFFAOYSA-N 313.781 2.485 0 40 DEAB O=C(O)[C@H]1CN(C(=O)CCc2ccccc2)c2ccccc2O1 13434803 UWRNNNGZHJOTNV-MRXNPFEDSA-N 311.337 2.498 0 40 DEAB CC(C)C(NC(=O)CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(C)C 13688756 ABXVYUPCKLUSPQ-OKILXGFUSA-N 320.433 2.125 0 40 DEAB O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1Cl 13856454 AVFXHWZCJCTLBL-HZSPNIEDSA-N 321.808 2.068 0 40 DEAB CCCNC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 14154523 DAWPIHFJUXKYRL-SNVBAGLBSA-N 318.826 2.021 0 40 DEAB COc1ccc(CN2CCc3c(O)nc(C)nc3C2)cc1OC 19576597 VXVPRTUGGYVARW-UHFFFAOYSA-N 315.373 2.066 0 40 DEAB O=C(NCCNC(=O)C1CCC1)c1ccc(C(F)(F)F)cc1 27180219 IHHMQCGDBUBZFA-UHFFFAOYSA-N 314.307 2.352 0 40 DEAB FC(F)(F)c1ccnc(N2CC(Cn3cc(Cl)cn3)C2)n1 1889083323 UFMNXECMSOTCIC-UHFFFAOYSA-N 317.702 2.482 0 40 DEAB c1cnc(N2CCC3(CC2)CO[C@@H](Cc2cccnc2)C3)nc1 2037784287 ZLVLUUMAGIEKJY-INIZCTEOSA-N 310.401 2.490 0 40 DEAB C1CCN(Cc2nnc3n2CCN(CC2CCCC2)C3)CC1 2055713424 NORSVESVILEBLB-UHFFFAOYSA-N 303.454 2.270 0 40 DEAB O=C(/C=C/c1ccco1)NCc1ccnc(N2CCCC2=O)c1 575619763 PTSIBKQTGNQUDE-AATRIKPKSA-N 311.341 2.131 0 40 DEAB O=C(NC[C@@H](O)c1cccs1)c1cc(=O)c2ccccc2o1 77182684 CEECSWGCLRZZKO-GFCCVEGCSA-N 315.350 2.318 0 40 DEAB CCc1nnc2n1C[C@@H](NC(=O)c1cc(C)sc1C)CC2 97198084 KAGMWXLNZRJRCC-NSHDSACASA-N 304.419 2.264 0 40 DEAB CCOC(=O)c1c(O)c2cccnc2n(-c2ccccc2)c1=O 100227080 JMWQFEZRVGPQGA-UHFFFAOYSA-N 310.309 2.268 0 40 DEAB O=C(NCCc1cccc(F)c1)c1ccnc(-n2ccnc2)c1 40555303 NVYNENFNWRJZGM-UHFFFAOYSA-N 310.332 2.379 0 40 DEAB C[C@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1cnn(C)c1 40528099 ULSWNNAZUHHLAN-SECBINFHSA-N 315.345 2.080 0 40 DEAB CC[C@](C)(CNC(=O)c1cccnc1SC)N1CCOCC1 31929154 CNKAIMKVEPCUME-MRXNPFEDSA-N 323.462 2.034 0 40 DEAB CCN1CCN([C@H](C(=O)O)c2c(C)[nH]c3ccccc23)CC1 20736635 RTROEOGCJDKZEN-INIZCTEOSA-N 301.390 2.240 0 40 DEAB COc1ccccc1C(=O)C[C@@]1(O)C(=O)N(C)c2ccccc21 299934 VYQXSYBKODZYOP-SFHVURJKSA-N 311.337 2.132 0 40 DEAB NS(=O)(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 481463 WOYXTNYWFYWXFO-UHFFFAOYSA-N 317.292 2.491 0 40 DEAB in-vitro CC(=O)Nc1ccc(OC(=O)CCCc2nc(C)no2)cc1 41619227 BNMYZTMDOYNMFS-UHFFFAOYSA-N 303.318 2.265 0 40 DEAB Cc1nnc(NC(=O)NCC(C)(C)N2CCC[C@@H](C)C2)s1 53753314 SREYPDXZCOGBKL-SNVBAGLBSA-N 311.455 2.479 0 40 DEAB CCn1c(COc2ccccc2)nnc1SCC(=O)OC 419261 UGPQFUJTLULIQV-UHFFFAOYSA-N 307.375 2.142 0 40 DEAB CCOC(=O)[C@@H]1C[C@@]2(C(=O)Nc3ccc(F)cc32)N2CCC[C@H]12 54969065 NKKZSSIIOCIZEJ-JDSLSITLSA-N 318.348 2.021 0 40 DEAB COC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(F)cc1 559567 ZWEDYVBZCXLKKS-UHFFFAOYSA-N 305.305 2.484 0 40 DEAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Br)cc1 24470209 MVKHAHMVVURGGK-UHFFFAOYSA-N 308.179 2.455 0 40 DEAB CC(=O)Nc1nc(C(=O)N2c3ccnn3[C@H](C)C[C@@H]2C)cs1 78877027 HEUUYUKHRYGYTQ-DTWKUNHWSA-N 319.390 2.298 0 40 DEAB CCc1noc(CC)c1CNC(=O)CCOC[C@H]1CCCO1 79070172 ISBZCDYRZZLRNQ-GFCCVEGCSA-N 310.394 2.001 0 40 DEAB Cc1nc(Sc2nncn2C)c2sc(=S)n(C)c2n1 1424360 ROGDPLNTLJHOPE-UHFFFAOYSA-N 310.433 2.347 0 40 DEAB Cc1cc(Cl)ccc1NC(=O)C(=O)NCc1ccccn1 4714288 FGBPQBLGLOOPAQ-UHFFFAOYSA-N 303.749 2.298 0 40 DEAB COc1cccc(/C=C/C(=O)N2C(=O)c3cccc(N)c3C2=O)c1 7654862 IYWJRZLHCPADTC-CMDGGOBGSA-N 322.320 2.113 0 40 DEAB COC[C@@H]1CCC[C@]12CN(C(=O)c1cccc(C)n1)CCO2 107195206 MZELBMLVKOSRQB-YOEHRIQHSA-N 304.390 2.048 0 40 DEAB Cc1cccc(N2CCN(CC(=O)NCc3ccco3)CC2)c1 27381522 GXEJCCSQGVBUHR-UHFFFAOYSA-N 313.401 2.026 0 40 DEAB Cc1nn(C)c(C)c1-c1nn2c(C(F)(F)F)nnc2s1 44893981 UEPVIEJBZIKFHP-UHFFFAOYSA-N 302.285 2.222 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)NC[C@]2(O)CCSC2)c(C)c1 89612121 BLNNUXJCBYICRI-WMLDXEAASA-N 322.474 2.402 0 40 DEAB CCOCCNC(=O)c1cccc(Cn2nc(C)cc2C)c1 58415189 PDYMGUFCBTWNQG-UHFFFAOYSA-N 301.390 2.315 0 40 DEAB COC(=O)c1ccc([C@@H]2NCC[C@]23C(=O)Nc2ccccc23)cc1 62001628 UZAHARYZRYRNPW-QFBILLFUSA-N 322.364 2.398 0 40 DEAB biogenic COc1ccc(CNC(=O)c2cc(O)nc3ccccc23)cn1 11005862 OFVYIOJHAMEOCP-UHFFFAOYSA-N 309.325 2.274 0 40 DEAB C[C@H](Sc1nc(N)cc(N)n1)c1nc(-c2ccco2)no1 29749871 XVMJQICRGJSUMW-LURJTMIESA-N 304.335 2.137 0 40 DEAB O=C(NC1=NCCS1)c1ccc(OC[C@@H]2CCCO2)cc1 2664416 RGRHWRNLWGOCRF-ZDUSSCGKSA-N 306.387 2.077 0 40 DEAB C[C@H](CNC(=O)COCC(F)(F)F)N(C)c1ccccc1 48285900 MOAZFXIXXOJXKN-LLVKDONJSA-N 304.312 2.206 0 40 DEAB CCc1cccc(CC)c1NC(=O)CSc1nnnn1C 3513219 JJZCYZFJHKOYNJ-UHFFFAOYSA-N 305.407 2.066 0 40 DEAB COCc1cc(NC(=O)N[C@H]2CCCc3occc32)ncn1 93312844 MFQZLZREUFTGDR-LBPRGKRZSA-N 302.334 2.415 0 40 DEAB O=S(=O)(NCCc1ccc2c(c1)OCO2)c1cccc(F)c1 39979700 GVHVHJHCADJPDC-UHFFFAOYSA-N 323.345 2.075 0 40 DEAB Cc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)c1 5293044 ZWLFBEZEPGKADO-UHFFFAOYSA-N 300.358 2.351 0 40 DEAB O=C(NCCNc1ccncc1)c1cnc(-c2ccccc2)nc1 65406085 BVFCRLQYRNGWIR-UHFFFAOYSA-N 319.368 2.381 0 40 DEAB C/C(=C\c1ccccc1)C(=O)NN1C(=O)c2ccccc2C1=O 4499622 HLZRAGVUSJBTCM-VAWYXSNFSA-N 306.321 2.417 0 40 DEAB NC(=O)[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1 14080574 JCKIBUJKRHKAOV-INIZCTEOSA-N 323.304 2.176 0 40 DEAB O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1cccs1 14230581 STIKBLJYQVRMAF-UHFFFAOYSA-N 319.411 2.412 0 40 DEAB Cc1cccc(N2C(=O)/C(=C/c3cn(C)nc3C)NC2=S)c1 6789209 OGYVIVWELFRUOS-ZSOIEALJSA-N 312.398 2.299 0 40 DEAB CCCn1nnnc1CN(Cc1cccs1)C[C@H]1CCCO1 66696123 HNAUBENPUHLFSS-CYBMUJFWSA-N 321.450 2.326 0 40 DEAB O=S(=O)(O)C(F)(F)C(F)(F)OC(Cl)(Cl)Cl 4843963 SFVVWTYCFYLYOA-UHFFFAOYSA-N 315.455 2.404 0 40 DEAB C[C@H](C(=O)N1CCCC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 66850581 DPINFKGNYVCWJL-WBMJQRKESA-N 324.371 2.349 0 40 DEAB COc1ccc(F)cc1CN1Cc2ccccc2C[C@H]1C(N)=O 15027881 UODYXTKYZPRZAX-INIZCTEOSA-N 314.360 2.247 0 40 DEAB CCc1nc([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)no1 67885106 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17859495 MIUHOCKNNZQUOS-UHFFFAOYSA-N 313.309 2.117 0 40 DEAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cnc(C)cn1 69815201 DIHSGNHNBYEROC-JKSUJKDBSA-N 302.422 2.150 0 40 DEAB Cc1csc(S[C@H](C(=O)NC(N)=O)c2ccccc2)n1 8774576 PLCDCBPAMXTGTM-JTQLQIEISA-N 307.400 2.480 0 40 DEAB O=C(COC(=O)c1ccccc1)Nc1cccc2nsnc12 19077687 FDIGPNIVCMSQLA-UHFFFAOYSA-N 313.338 2.487 0 40 DEAB COc1ccc(COC[C@@H](O)CNC(=O)c2cccs2)cc1 70848657 FDGJSLWSVRIFRV-ZDUSSCGKSA-N 321.398 2.064 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)c3ccc4c(c3)nnn4C)C2)n[nH]1 84110754 PWYOCVNRQFVJKS-ZDUSSCGKSA-N 324.388 2.020 0 40 DEAB O=c1[nH]c(Cc2ccno2)nc2cc(F)c(Br)cc12 97085282 XOBSRVYUNDYDKY-UHFFFAOYSA-N 324.109 2.404 0 40 DEAB Cc1ccc(-c2ccc(C(=O)NCCc3nncn3C)s2)o1 97081719 BLMKQWPHMRLXOK-UHFFFAOYSA-N 316.386 2.418 0 40 DEAB CCC(CC)(CO)NC(=O)Nc1cccc(-c2nnco2)c1 72289100 HYPOBMOTEJZKBI-UHFFFAOYSA-N 304.350 2.409 0 40 DEAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1 72232295 NAPIFBPXCJPLGW-LLVKDONJSA-N 303.366 2.244 0 40 DEAB 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CCNC(=O)NC(=O)[C@H](C)N1CC[C@H]1c1ccc(Cl)cc1 245316741 KMNJDMIWYKBKQY-GWCFXTLKSA-N 309.797 2.321 0 40 DEAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ccncn3)C2)cc1 257299309 RPMYMXVRGXJNTO-AWEZNQCLSA-N 317.414 2.353 0 40 DEAB O=S(=O)(c1cccs1)N1CCC[C@H](Cc2ccn[nH]2)C1 257240833 HVIVHTNMVZQUKG-LLVKDONJSA-N 311.432 2.115 0 40 DEAB CCOc1ncccc1C(=O)N1CC[C@@H](c2nccc(C)n2)C1 257216133 CTFXCXIVEDSHND-CYBMUJFWSA-N 312.373 2.208 0 40 DEAB c1cc(NC2CC3(CCN(Cc4nccs4)C3)C2)ncn1 257258929 KWDAQELPLGFBTG-UHFFFAOYSA-N 301.419 2.400 0 40 DEAB O=C1CCCN1CC[C@H]1CN(Cc2ccco2)Cc2ccnn21 585112917 YQSSGKHZXBRBGC-HNNXBMFYSA-N 314.389 2.046 0 40 DEAB O=C1NCCN1[C@@H]1CCCN(c2nc3ccccc3s2)C1 71840991 BHSJNNDXIXVWCR-LLVKDONJSA-N 302.403 2.290 0 40 DEAB Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2C(=O)NC2CC2)cc1 44889558 AHRVVDJRDYQBCP-CJNGLKHVSA-N 316.401 2.032 0 40 DEAB CO[C@]1(CNC(=O)c2ccc(Br)o2)CCSC1 96097609 YQXMVVYLWGBIED-NSHDSACASA-N 320.208 2.294 0 40 DEAB Cc1cc(CN2CC(Cn3cc(Br)cn3)C2)on1 1889084208 CYMVVLUIUWCQSP-UHFFFAOYSA-N 311.183 2.074 0 40 DEAB COC(=O)c1c(NC(=O)c2snnc2C)sc2c1CCC2 11914144 KYRGOOAAFPNSOO-UHFFFAOYSA-N 323.399 2.436 0 40 DEAB Oc1nc(-c2cnccn2)nc2c1CN(C[C@@H]1CC=CCC1)CC2 13268141 NXSCWPYZPIHELR-CYBMUJFWSA-N 323.400 2.354 0 40 DEAB O=C(NCc1ccc(Cl)cn1)N[C@H](CO)Cc1ccccc1 153923628 RALUVNXTAOJZEN-HNNXBMFYSA-N 319.792 2.138 0 40 DEAB Cc1ccc(S(=O)(=O)NCC2CCN(C(C)C)CC2)cc1 12441436 PIVSLLMEKQGBFG-UHFFFAOYSA-N 310.463 2.394 0 40 DEAB Cc1cnc(OC[C@@]23CCC[C@@H]2CN(C(=O)C(C)C)C3)nc1 1888856760 CXLJQAAIKPKEKF-PBHICJAKSA-N 303.406 2.449 0 40 DEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2ccnc(C3CC3)n2)C1 1888863669 OJXAWLNZPXHSLT-JSGCOSHPSA-N 308.385 2.139 0 40 DEAB O=C(NC[C@H](O)c1ccc(-n2cccn2)cc1)c1ccsc1 1888944477 IWKHDKVEDYJIHE-HNNXBMFYSA-N 313.382 2.397 0 40 DEAB COc1cccc(CN2C[C@H]3CCN(c4ncccn4)C[C@H]3C2)c1 1203819077 PTLOQPMLBACABN-IAGOWNOFSA-N 324.428 2.444 0 40 DEAB COC[C@@]12CCCO[C@H]1CCN(C(=O)C1CC(F)(F)C1)C2 1565547076 MXSLZEZXBDJVNC-JSGCOSHPSA-N 303.349 2.076 0 40 DEAB 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315.421 2.295 0 40 DEAB COc1ccc(Br)cc1CNCCCN(C)C 57629900 GRJWXCBGZWJTQS-UHFFFAOYSA-N 301.228 2.499 0 40 DEAB CCc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)[nH]c2=O)cc1 100537306 XACCTLUDPKUWHC-JBBFUIBGSA-N 315.438 2.223 0 40 DEAB Cc1csc(N2CCN(C(=O)c3scnc3C)CC2)n1 48573363 HLDLIUKUHHHITB-UHFFFAOYSA-N 308.432 2.179 0 40 DEAB C[C@H](OC(=O)COc1ccccc1Cc1ccccc1)C(N)=O 6033580 QDPOXOMYEITWQP-ZDUSSCGKSA-N 313.353 2.073 0 40 DEAB Cc1nc2scc(C3CC3)n2c1CN[C@@H]1CCCCNC1=O 95435778 MXBRACKGPSNBAJ-GFCCVEGCSA-N 318.446 2.340 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1CCCc2c1cnn2CCO 65440501 RDYXXOHYLCXHQF-BPLDGKMQSA-N 320.437 2.131 0 40 DEAB CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccnc2)c1C 4909775 DLNHQLZLXDGKHU-UHFFFAOYSA-N 301.346 2.133 0 40 DEAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCS(=O)CC1 96451252 SCMXHYPPESPFRQ-LBPRGKRZSA-N 315.822 2.088 0 40 DEAB COc1cccc(SCC(=O)N[C@@H]2CCN(C3CC3)C2)c1 67863163 AOFTWKLOQJRCLV-GFCCVEGCSA-N 306.431 2.140 0 40 DEAB COC(=O)c1sccc1NS(=O)(=O)c1cccc(F)c1 7708995 YWIJFORKXUPHBL-UHFFFAOYSA-N 315.347 2.475 0 40 DEAB Cc1cc(C)cc(N2C(=S)S[C@H]3CS(=O)(=O)C[C@H]32)c1 7995073 JEUNVLQLUJPFFR-NEPJUHHUSA-N 313.469 2.307 0 40 DEAB C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)/C=C/c1ccc(Cl)cc1 71823417 DHYYKMUMTNOZTR-NNUUWNPISA-N 306.793 2.466 0 40 DEAB C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)C(C)(C)CO1 91116142 MFMFUAMJKROBIA-LBPRGKRZSA-N 314.385 2.097 0 40 DEAB Cc1ccccc1OC[C@H](C)NC(=O)c1ccc2nncn2c1 71851037 KLQDGNNFMAXMIS-ZDUSSCGKSA-N 310.357 2.235 0 40 DEAB CCc1nc(CN2CCC[C@@H](NCc3ccsc3)C2)no1 69453982 ISFHGWHAPKQECD-CYBMUJFWSA-N 306.435 2.448 0 40 DEAB Cn1c(CN2CCCC[C@@H]2Cn2cncn2)nc2ccccc21 69493031 IZJLWEYLXKZTTI-CQSZACIVSA-N 310.405 2.220 0 40 DEAB O=C(C[S@](=O)Cc1cccc(Cl)c1)NCc1ccco1 69515124 WRWRMKYFLKTDDQ-FQEVSTJZSA-N 311.790 2.498 0 40 DEAB CC(C)n1nccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 69950382 UNJMYKFVHIOPKS-AWEZNQCLSA-N 310.357 2.358 0 40 DEAB Cc1c(C(=O)O[C@@H](C)C(=O)N2CCOCC2)oc2ccccc12 8728863 NKNBCANGUIGYMZ-LBPRGKRZSA-N 317.341 2.145 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C(C)C 71283216 PCFIVNWKLOUZOP-JTQLQIEISA-N 303.366 2.231 0 40 DEAB CC[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 72269306 SZIOCDBUAVJAHU-KSZLIROESA-N 316.445 2.238 0 40 DEAB CCNC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12 72259935 PWMKFRVLDIMRHB-UHFFFAOYSA-N 321.690 2.221 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2cscn2)c(C)nn1C 72234463 PBLVSHQPXLXOQM-NSHDSACASA-N 306.391 2.171 0 40 DEAB CN(C)C(=O)CCNC(=O)NC1(Cc2ccccc2)CCCC1 97114222 KDYPJUXZGYHKIT-UHFFFAOYSA-N 317.433 2.319 0 40 DEAB CN(C)c1ncnc2c1CN(Cc1ncc(C(C)(C)C)o1)CC2 97202590 NOUKSFLIPMLMED-UHFFFAOYSA-N 315.421 2.386 0 40 DEAB CC[C@H](NC(=O)c1c[nH]c(C)cc1=O)[C@@H](O)c1ccccc1F 97228201 RZABUKGWHOLCNF-HOCLYGCPSA-N 318.348 2.064 0 40 DEAB COc1ccc(F)cc1[C@H](C)NC(=O)c1ccc(C)[nH]c1=O 75120384 CJJFKCHSFJIZPY-JTQLQIEISA-N 304.321 2.322 0 40 DEAB O=C1CC[C@@H](C(=O)N2CCc3cc(Cl)cc(Cl)c3C2)N1 89762095 DBTXUCZUPDPONC-LBPRGKRZSA-N 313.184 2.157 0 40 DEAB CC(C)(N)c1nocc1C(=O)NCCc1cc2ccccc2[nH]1 519831124 BAYHGKPFCACQIE-UHFFFAOYSA-N 312.373 2.322 0 40 DEAB O=C(NCCn1cccc1)c1n[nH]c2c1COc1ccccc1-2 524734130 ZSXKYRLUWJFINI-UHFFFAOYSA-N 308.341 2.201 0 40 DEAB COc1ccccc1C(=O)Oc1cc(=O)n2cccc(C)c2n1 72427436 GEGFKVBSDKMYEN-UHFFFAOYSA-N 310.309 2.231 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@](C)(CO)c2ccccc2)cc1 72406699 YSBSNNGWEDFTFU-INIZCTEOSA-N 305.399 2.181 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CCN([C@@H](CN)c2ccc(F)cc2)C1 38541233 BYXVVXTXINETJW-GJZGRUSLSA-N 323.412 2.425 0 40 DEAB FC(F)(F)CN1CCN(c2ncnc3c2CCCC3)CC1 378153406 SLQCNRLBDGYJFL-UHFFFAOYSA-N 300.328 2.040 0 40 DEAB Cc1noc([C@@H](NC(=O)N(C)CC2(N(C)C)CCC2)C(C)C)n1 187168221 YEYIYMJLWISHTD-ZDUSSCGKSA-N 323.441 2.201 0 40 DEAB CCc1noc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)n1 41122396 KIOKRNGSNXIYTQ-GFCCVEGCSA-N 321.402 2.200 0 40 DEAB CCCc1ncc(CNC(=O)Cc2nn(C)c3ccccc23)o1 570075940 JFXRENVYNSZYDD-UHFFFAOYSA-N 312.373 2.373 0 40 DEAB Cc1cccc([C@H](NC(=O)[C@@H]2CC23CCOCC3)C(=O)O)c1C 570138300 CWSYTCVXISKGFT-GJZGRUSLSA-N 317.385 2.362 0 40 DEAB Cc1cc2[nH]c(=O)oc2cc1S(=O)(=O)N(C)c1ccccc1 223322351 ZMBSYNJGOWPLGJ-UHFFFAOYSA-N 318.354 2.255 0 40 DEAB C[C@@H]1NC(=O)CC[C@@H]1Nc1cc(OCc2ccccc2)ncn1 570662558 MMDSYCYLFYQTFI-JSGCOSHPSA-N 312.373 2.135 0 40 DEAB CO[C@](C)(C(=O)Nc1ccc(OCCN(C)C)cc1)C1CC1 225643414 VLFIXCFZWASZDL-KRWDZBQOSA-N 306.406 2.381 0 40 DEAB Cc1cnn([C@@H]2CCCN(C(=O)CCC(=O)OC(C)(C)C)C2)c1 192391106 JLGQJNNMMWQJMZ-CQSZACIVSA-N 321.421 2.477 0 40 DEAB Cc1nnc2ccc(N(C)CCCOCc3ccccc3)nn12 225580529 OJHFBFAGBMXSSE-UHFFFAOYSA-N 311.389 2.476 0 40 DEAB Cc1nc(CNC(=O)NC[C@H]2SCCc3ccccc32)no1 96455113 MKYWQJAEKYCWEI-CYBMUJFWSA-N 318.402 2.208 0 40 DEAB CC[C@H](NC(=O)c1cc(F)c(F)c(O)c1F)c1noc(C)n1 97237132 VYBMIVJWANWUAS-QMMMGPOBSA-N 315.251 2.382 0 40 DEAB CCOC[C@@H]1CN(C(=O)c2ccc(C)o2)Cc2cnn(C)c21 96060088 LYAOPIAZYDUELN-ZDUSSCGKSA-N 303.362 2.098 0 40 DEAB C[C@@H](CCc1cccc(F)c1)NC[C@@](C)(O)c1cnn(C)c1 96478293 NIRZWNMVRXCWRA-SUMWQHHRSA-N 305.397 2.378 0 40 DEAB COc1coc(Cn2c(=O)oc3ccc(Cl)cc32)cc1=O 96180963 LZMYFPGFVADBOU-UHFFFAOYSA-N 307.689 2.258 0 40 DEAB CN(C)C(=O)CNC(=O)N[C@H](c1ccccc1F)C1CCCC1 96461505 DJWJGAVKIAATTO-INIZCTEOSA-N 321.396 2.444 0 40 DEAB C/C(=C\C(=O)NC1CCN(C(N)=O)CC1)c1ccccc1Cl 96405717 XEABNYHCUMZOAM-ZHACJKMWSA-N 321.808 2.403 0 40 DEAB CC(C)[C@@H](N)C(=O)N1CCc2sc(Br)cc2C1 95097552 YCSHTMQPLMHXDA-LLVKDONJSA-N 317.252 2.379 0 40 DEAB O=C1CC[C@@]2(CCCN(c3ncccn3)CC2)N1CC1CC1 96217959 XDBZGOATLBVZTP-QGZVFWFLSA-N 300.406 2.238 0 40 DEAB O=C(NCCCOC[C@H]1CCOC1)c1ccc2[nH]ccc2c1 96418856 IJGGDWWBHCPATQ-CYBMUJFWSA-N 302.374 2.341 0 40 DEAB CCCC1(CNC(=O)NCCc2nnc3n2CCC3)CCC1 96467243 ZIQLKNHWBNHHPM-UHFFFAOYSA-N 305.426 2.036 0 40 DEAB COc1cccc(NC(=O)CCN2CCO[C@H]3CCC[C@H]32)c1 230113964 DQYRTCMZTAZOPA-CVEARBPZSA-N 304.390 2.277 0 40 DEAB Cc1cccc(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)c1 96201181 RLGKZPFFNFHFDD-UHFFFAOYSA-N 324.428 2.234 0 40 DEAB CCO[C@@H]1CN(C(=O)c2cccc(OC)c2)[C@@H]2CCCO[C@H]12 96042344 AVYQBLDDQMPIBG-OAGGEKHMSA-N 305.374 2.104 0 40 DEAB CCO[C@H]1CCOC2(C1)CN(C(=O)c1cc(C)nc(C)c1)C2 248379185 MBGNZFIPZVVALM-HNNXBMFYSA-N 304.390 2.109 0 40 DEAB NC(=O)c1cc(C[C@H]2CCCN(Cc3ccccc3)CC2)ncn1 257313741 UTXRJJVFGSCBET-HNNXBMFYSA-N 324.428 2.420 0 40 DEAB CC(C)[C@@H](NCCN1C(=O)NC(C)(C)C1=O)c1cccs1 26907964 IKXZJDBUOFBICC-GFCCVEGCSA-N 309.435 2.365 0 40 DEAB CS(=O)(=O)N1CCC2(CC1)CO[C@H](Cc1ccccc1)C2 257322617 WGRXGYQAEGUROE-OAHLLOKOSA-N 309.431 2.060 0 40 DEAB Cc1cc2nccc(C3CCN(C4CCN(C)CC4)CC3)n2n1 257341726 ZLSGFKHHACLFFN-UHFFFAOYSA-N 313.449 2.311 0 40 DEAB O=[N+]([O-])c1c(F)cc(Br)cc1S(=O)(=O)Cl 396060897 QZYXTUKPAWWIAT-UHFFFAOYSA-N 318.507 2.424 0 40 DEAB CN1CCCN(C(=O)N[C@@H]2CCCOc3c(F)cccc32)CC1 272516311 NCVVFLFICXEPCH-OAHLLOKOSA-N 321.396 2.387 0 40 DEAB CO[C@@H]1[C@H](OC)COC[C@H]1N(C)Cc1ccc2ncccc2c1 585290571 FMODHGBIRAUPTE-KURKYZTESA-N 316.401 2.095 0 40 DEAB C[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 71185218 SFERJSQHVUWVSV-GWCFXTLKSA-N 324.783 2.420 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(OC)c2)C1 44867106 GFXYBLJAEODZKF-CQSZACIVSA-N 305.374 2.039 0 40 DEAB O=C([C@H]1CC=CCC1)N1CCC(Oc2ncc(F)cn2)CC1 1776009478 OZZVNRWQNRLFEK-LBPRGKRZSA-N 305.353 2.342 0 40 DEAB Cc1cc(Br)ccc1C(=O)N(CC(=O)O)C1CC1 37589304 NORGNXQSAIHZAW-UHFFFAOYSA-N 312.163 2.447 0 40 DEAB C[C@@H](Sc1nncn1C)C(=O)N[C@@H]1CCc2c(F)cccc21 56323468 CTXOFNKHUZQNLK-NOZJJQNGSA-N 320.393 2.239 0 40 DEAB Cc1ccc(-c2nc(CNc3ccc4nnnn4n3)co2)cc1 75065382 RSEMRUJJDXYMIB-UHFFFAOYSA-N 307.317 2.095 0 40 DEAB CCC(C)(C)NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 76825942 TXSMFOBMOWSBQW-UHFFFAOYSA-N 302.371 2.251 0 40 DEAB COC(=O)C[C@@H]1CN(Cc2cc(F)cc3cccnc23)CCO1 83884698 DLJPTFIZZPCTFE-OAHLLOKOSA-N 318.348 2.138 0 40 DEAB Cc1cc(C)c(CNC(=O)/C=C/c2cccc(F)c2)c(=O)[nH]1 7118001 HMVXKBJSBDGZCR-VOTSOKGWSA-N 300.333 2.460 0 40 DEAB CCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21 5686888 JURABWMCTLKAFJ-UHFFFAOYSA-N 323.352 2.052 0 40 DEAB COc1ccc([C@@H](NC(=O)C(C)C)c2nccn2C)cc1OC 12114935 VQOGOLIMSRUWGY-OAHLLOKOSA-N 317.389 2.299 0 40 DEAB COCC(=O)N1[C@H]2CC[C@H](C2)[C@H]1COc1cccc(OC)c1 12326935 ZGDFUIXCMNHQDU-DVOMOZLQSA-N 305.374 2.100 0 40 DEAB CSc1ccccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 169619966 SJHBBAFQUSGOOG-YGNMPJRFSA-N 305.355 2.001 0 40 DEAB CSc1nc(N2CCN(C(C)=O)CC2)cc(C(C)(C)C)n1 1888850285 KJCDCYKYMWREBN-UHFFFAOYSA-N 308.451 2.165 0 40 DEAB Cc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)nc1 1888865657 KNGWRTOCRAIQHH-UHFFFAOYSA-N 324.432 2.107 0 40 DEAB Cc1ccc(C)c(CN2CCC[C@H](NS(=O)(=O)C3CC3)C2)c1 1889136279 NIUFOYVRUNIOPG-INIZCTEOSA-N 322.474 2.350 0 40 DEAB O=C(CC1CC1)N1CCC[C@](O)(COc2ccc(F)cc2)C1 2037912919 CXNKIKICCDJGMI-QGZVFWFLSA-N 307.365 2.358 0 40 DEAB CC(C)C(=O)N1CCC2(C1)CN(C(=O)[C@@]1(C)CC=CCC1)C2 1019050483 NFIVNUDRRPLWPC-KRWDZBQOSA-N 304.434 2.450 0 40 DEAB CCSc1nnc(NC(=O)CSC2=NCCS2)s1 4174455 GTFLXCAXPLCIGA-UHFFFAOYSA-N 320.490 2.425 0 40 DEAB CCN1C(=O)C[C@@H](Nc2ccc(OC(F)(F)F)cc2)C1=O 18218002 WMRZIFDODGKACD-SNVBAGLBSA-N 302.252 2.145 0 40 DEAB O=C(N[C@@H]1CCCC[C@H]1N1C(=O)CSC1=O)c1ccco1 28284149 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c1ccc(-n2ncc3c2ncn2c([C@@H]4CCCO4)nnc32)cc1 541378 CPFQFKXKBYAVCF-ZDUSSCGKSA-N 306.329 2.315 0 40 DEAB O=C(CCc1cccs1)NC[C@@H]1CCCN1c1cccnn1 78820943 NNTXRDNKEVCKKK-ZDUSSCGKSA-N 316.430 2.256 0 40 DEAB Cc1cc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)ccn1 79001800 PCMQNYQSHATKGK-AWEZNQCLSA-N 301.346 2.376 0 40 DEAB C[C@@H]1CN(C(=O)c2ccc(CN3CCCC3=O)cc2)C[C@@H](C)O1 25374953 MULODSJQLGXHHI-ZIAGYGMSSA-N 316.401 2.058 0 40 DEAB CC(C)(C)C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1 4908554 AUVYOEKWTILOQW-UHFFFAOYSA-N 317.433 2.252 0 40 DEAB COc1cc(/C=C2\NC(=O)NC2=O)ccc1C(=O)c1ccccc1 6490549 OBCWJUBXAACINU-ZROIWOOFSA-N 322.320 2.107 0 40 DEAB Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccccc2)s1 7121765 SJBKDSPMPLIEFV-UHFFFAOYSA-N 317.366 2.212 0 40 DEAB CCCc1n[nH]c([C@H]2CN([C@H](C)c3cccnc3)CCO2)n1 107323061 IWOHUXUZAKDFIO-TZMCWYRMSA-N 301.394 2.287 0 40 DEAB CC(=O)NC1=NC(=O)/C(=C\c2ccc3c(c2)C[C@H](C)O3)S1 10299377 WVHOVKILUSVKDC-MTDSNMTDSA-N 302.355 2.116 0 40 DEAB O=C(Oc1ccccc1)N(Cc1n[nH]c(=O)[nH]1)c1ccccc1 72405761 DLQMKKBUOSYUOD-UHFFFAOYSA-N 310.313 2.304 0 40 DEAB CCCNC(=O)Cn1c(-c2ccc(F)cc2)nc(CC)cc1=O 57508799 MCHQHCHDKPYUMY-UHFFFAOYSA-N 317.364 2.138 0 40 DEAB CCn1cc(Br)cc1C(=O)N1CCCC[C@@H]1CN 44541064 BRQBTKNJGAIAOZ-LLVKDONJSA-N 314.227 2.224 0 40 DEAB COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)n1ccnc1)CC2 44888264 FPOCJSYPDLAGHN-GFCCVEGCSA-N 315.373 2.046 0 40 DEAB CSCC[C@@H](NC(N)=O)C(=O)Nc1cccc(Cl)c1C 58265979 SFMHMKUPNDGLTK-LLVKDONJSA-N 315.826 2.377 0 40 DEAB Cc1cccc(-c2nc(CN3CCC(CC(N)=O)CC3)no2)c1 44951146 IDUALUOIJBEDKM-UHFFFAOYSA-N 314.389 2.132 0 40 DEAB O=C1CC[C@@H](C(=O)OCc2csc(-c3ccccc3)n2)N1 11699280 PLVIBMKLOKUGQO-LBPRGKRZSA-N 302.355 2.132 0 40 DEAB CCn1cc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cn1 28222103 ZLEVAWBQUWOAGV-FNORWQNLSA-N 313.357 2.304 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)NCCN1CCCCCC1=O 47085007 KSSRIUNMHWMXCH-UHFFFAOYSA-N 321.396 2.370 0 40 DEAB C[C@H]1COCCN1C(=O)NCc1ccc(-c2ccn[nH]2)cc1 48236184 OCUYVRSNNFIAEA-LBPRGKRZSA-N 300.362 2.007 0 40 DEAB c1ccc(-c2cnc(CN3CCN(c4cnccn4)CC3)o2)cc1 48343862 RDLZVSFIXSXLOE-UHFFFAOYSA-N 321.384 2.454 0 40 DEAB Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccoc1 95954010 XZIDUWCFOJHCEN-UHFFFAOYSA-N 300.343 2.432 0 40 DEAB O=C(c1cc(Br)ccc1O)N1CCSCC1 48600343 BISNRGYAZGGJQG-UHFFFAOYSA-N 302.193 2.344 0 40 DEAB COC(=O)[C@H]1CCC[C@@H](NC(=O)c2ccc3c(c2)N(C)CC3)C1 96011263 WSCSMSUBZCGVKP-LSDHHAIUSA-N 316.401 2.141 0 40 DEAB COc1ccc2c(c1)c1ncn(Cc3ccccn3)c(=O)c1n2C 13207138 MTGYWVUHAULUDJ-UHFFFAOYSA-N 320.352 2.340 0 40 DEAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(N)c1 3885510 MOGWGKUFKFLTKM-UHFFFAOYSA-N 306.387 2.493 0 40 DEAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H]1CCC[C@H](N(C)C)C1 95408045 HMLXXHAAPVWQLL-VSONXHSHSA-N 324.856 2.384 0 40 DEAB NNc1nn2c(C(F)(F)C(F)(F)F)nnc2c2ccccc12 6345150 KVUFIIZOFMFIID-UHFFFAOYSA-N 318.209 2.217 0 40 DEAB O=C1COc2c(cccc2C(=O)N2CCc3sccc3C2)N1 65530715 VMHDGLBFWDGKEK-UHFFFAOYSA-N 314.366 2.278 0 40 DEAB COCc1ccc(C(=O)OCC(=O)Nc2nc(C)cs2)cc1 14123504 LFBDNVHDQDPUEQ-UHFFFAOYSA-N 320.370 2.393 0 40 DEAB O=C(CNC(=O)C1CCCCC1)NCCCc1ccccc1 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316.430 2.142 0 40 DEAB COCCN(C)CCCNC(=O)Cc1c[nH]c2cc(C)ccc12 71185178 HRRFYIGTTOINEE-UHFFFAOYSA-N 317.433 2.103 0 40 DEAB Cc1cc(NC(=O)N2CC[C@@H](O)C2)nn1-c1cccc(Cl)c1 97085240 QKICMLXRAIGFEO-CYBMUJFWSA-N 320.780 2.433 0 40 DEAB O=C(c1ccc(Cl)cc1F)N1CCN(Cc2cc[nH]n2)CC1 93007819 FGXPHZPEVXCGFB-UHFFFAOYSA-N 322.771 2.160 0 40 DEAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCOCC(F)(F)F 72268695 WORGLUQZWPHXGU-STQMWFEESA-N 322.371 2.431 0 40 DEAB Cc1cnn(CCNCC(=O)N2CCC[C@@H]2c2ccsc2)c1 72253141 IKFYAAOHWOFHGM-OAHLLOKOSA-N 318.446 2.206 0 40 DEAB CN1C[C@H](NC(=O)Nc2ccnn2C2CCCCC2)CCC1=O 72292025 HPKLFFSRGMLSRV-GFCCVEGCSA-N 319.409 2.131 0 40 DEAB Cc1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(C)o1 97164254 YPUGSKRENILPMW-UHFFFAOYSA-N 306.343 2.044 0 40 DEAB Cn1cc(CN2CCC(C(=O)Nc3ccc(F)cc3)CC2)cn1 75582287 PEZXOXKEEJBKKQ-UHFFFAOYSA-N 316.380 2.410 0 40 DEAB O=C(Cn1nnc2ccccc21)Nc1cc(-c2ccccc2)n[nH]1 28243823 NPVKUBVYRPGATA-UHFFFAOYSA-N 318.340 2.460 0 40 DEAB CCN1CCN(CCC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 78394310 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2.331 0 40 DEAB CC(C)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 30593554 PYFYYZIWNDDGQT-UHFFFAOYSA-N 302.827 2.055 0 40 DEAB O=C(Cn1cncn1)Nc1cc(F)ccc1SCC(F)F 78189352 ZUPGDHLNTWUUAO-UHFFFAOYSA-N 316.308 2.413 0 40 DEAB Cc1cc(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)ccc1Cl 217391385 UFONTALBVGQDOG-UHFFFAOYSA-N 322.748 2.246 0 40 DEAB O=C(NCc1nnc2ccccn12)c1cc(-c2cccs2)n[nH]1 77712668 WBWDUPUJJBTJGH-UHFFFAOYSA-N 324.369 2.111 0 40 DEAB COc1c(C(=O)NC[C@@H](C)Oc2ccc(F)cc2)c(C)nn1C 80764606 FECJDOSCSZVKIC-SNVBAGLBSA-N 321.352 2.074 0 40 DEAB CCC(CC)NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C 225683917 AUNDZDQKMKVRQH-UHFFFAOYSA-N 314.432 2.067 0 40 DEAB C[C@@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 195564936 BUPGEOSNFDFYBV-UONOGXRCSA-N 308.447 2.380 0 40 DEAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCCOC 222752132 BCZMWWMAICPFLE-OAHLLOKOSA-N 320.433 2.357 0 40 DEAB C[C@@H](NC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccccn1 43869432 FUSZARJGHSDXSV-LLVKDONJSA-N 319.386 2.368 0 40 DEAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(C)CC1 225666827 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300.358 2.449 0 40 DEAB Cc1cc([C@H]2CN(Cc3csc(C)n3)CCO2)nc(C)n1 257340392 ZFVGTPXIULVZEX-OAHLLOKOSA-N 304.419 2.432 0 40 DEAB COc1ccccc1C(=O)N(C)[C@@H]1CCCC[C@@H](OC)[C@@H]1O 257269508 MQHIKGAOTVAWET-FVQBIDKESA-N 307.390 2.086 0 40 DEAB NC(=O)CC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 44955617 ZSXPFHXJGVEVQZ-UHFFFAOYSA-N 314.307 2.433 0 40 DEAB C[C@H]1CN(c2ccc(NC(=O)N3CCOCC3)cc2)C[C@H](C)O1 50081903 OSSKVYVSMQNKCN-KBPBESRZSA-N 319.405 2.164 0 40 DEAB Cc1noc([C@H](C)SCCN2C(=O)c3ccccc3C2=O)n1 56216276 RXDWTTSKEWJDLQ-VIFPVBQESA-N 317.370 2.468 0 40 DEAB O=C(O)[C@]1(C[C@H]2CC(c3cccc(F)c3)=NO2)CCCNC1 12157330 ABTAPBKLEUWQSD-CJNGLKHVSA-N 306.337 2.163 0 40 DEAB Oc1cc(CSc2nncn2-c2ccccc2)nc(S)n1 17054338 KAMTXXZQDSEIGF-UHFFFAOYSA-N 317.399 2.344 0 40 DEAB CCC1(CC)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 4308313 CNAQJIVROQMDBO-UHFFFAOYSA-N 317.389 2.353 0 40 DEAB CC(C)CC(=O)N1CCCN(C)CCNCc2ccccc21 643589651 YKZFOXGDAKWGFB-UHFFFAOYSA-N 303.450 2.491 0 40 DEAB O=C(Nc1ccc(SCCN2CCCCC2)nn1)C1CC1 13702005 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101128366 QBZFGXDYKAMTOK-MRXNPFEDSA-N 309.369 2.011 0 40 DEAB COCC(=O)Nc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 32922991 FTFJUGAEVBGJPZ-BETUJISGSA-N 304.390 2.390 0 40 DEAB Cc1ccccc1CS(=O)(=O)[C@H](C)C(=O)NC1CCCC1 32929659 WRJBAPYLLANBRW-CYBMUJFWSA-N 309.431 2.357 0 40 DEAB CCC(=O)Nc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 486939 QGKLVGUEQFDMLV-UHFFFAOYSA-N 306.318 2.320 0 40 DEAB biogenic CN[C@@H]1CCCN(C(=O)Cc2cccc(Br)c2)C1 53202043 HSUSSALJPYIDRQ-CYBMUJFWSA-N 311.223 2.202 0 40 DEAB Cc1cc(NC[C@H]2CCCOC2)n2nc(C(F)(F)F)nc2n1 54124715 AYTGNVUDTKPQIN-SECBINFHSA-N 315.299 2.290 0 40 DEAB Cn1ncc2c(N3CCc4[nH]c5ccccc5c4C3)ncnc21 12486851 PCQHPCCFJPTMEK-UHFFFAOYSA-N 304.357 2.407 0 40 DEAB CC(C)c1nc2sc3c(=O)n(N)cnc3c2c2c1CCC2 522081 OISRLJVBNSIZOL-UHFFFAOYSA-N 300.387 2.332 0 40 DEAB Cc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1 3051260 QHOXGGDVVCSGSK-UHFFFAOYSA-N 310.275 2.323 0 40 DEAB O=C(CS(=O)(=O)c1ccccn1)NC1CCCCCCC1 47620671 AAJZNQYZQMHLFH-UHFFFAOYSA-N 310.419 2.084 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)CCN2CCOC2=O)cc1 55165463 REAVGJNHXADNLE-HNNXBMFYSA-N 318.373 2.201 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)CCn2c(=O)n(C)c3ccccc32)C1 24984006 NBHFATREAQDCSZ-KBPBESRZSA-N 315.417 2.235 0 40 DEAB CCc1n[nH]c(S(=O)(=O)[C@H]2CCc3c(Cl)cccc32)n1 97020749 ZHIPKARHPINCSU-NSHDSACASA-N 311.794 2.482 0 40 DEAB C[C@H]1CCC[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)[C@@H]1C 6086711 GEVGUBGXFJVHDY-GZBFAFLISA-N 313.401 2.337 0 40 DEAB CN(C)S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 6226487 CBQYRHJOYNUMFU-UHFFFAOYSA-N 304.415 2.495 0 40 DEAB O=C(NCCN1CCOCC1)N1CCC[C@@H]1c1cccc(F)c1 56781461 KZOHLJCJFPOMMB-MRXNPFEDSA-N 321.396 2.004 0 40 DEAB O=C(NCc1ccco1)[C@H]1CCCN1C(=O)OCC(F)(F)F 57974564 PQKSOBBFJRNPPZ-SNVBAGLBSA-N 320.267 2.059 0 40 DEAB CCn1cc(S(=O)(=O)Nc2cc(Cl)cc(C)c2O)cn1 97009276 KQYPIOBMBBAIBS-UHFFFAOYSA-N 315.782 2.371 0 40 DEAB CC(C)c1ccccc1OC[C@@H](O)CSc1nncn1C 58013321 AQRGQFMTRZZORK-GFCCVEGCSA-N 307.419 2.471 0 40 DEAB Cc1nc(/C=C/C(=O)NCc2noc(-c3ccco3)n2)cs1 58193832 OTVGUBUAECXFPT-SNAWJCMRSA-N 316.342 2.424 0 40 DEAB CCc1cc(NC(=O)c2csc(-c3cnn(C)c3)n2)[nH]n1 58172813 AXZFQFFEDRIFIN-UHFFFAOYSA-N 302.363 2.081 0 40 DEAB O=C(NC[C@H]1CCCO1)[C@@H](c1ccccc1)N1CCSCC1 58282556 XVMZSEVHGXSGMT-HZPDHXFCSA-N 320.458 2.072 0 40 DEAB CC[C@H](CCNC(=O)Cc1ccccc1OC)N1CCCC1=O 58266808 SILRZLGOMHLTGI-OAHLLOKOSA-N 318.417 2.145 0 40 DEAB C[C@H]1CCC[C@H](NC(=O)NCc2ccc(-n3cncn3)nc2)C1 44968724 AICIIMZZRHXBAM-JSGCOSHPSA-N 314.393 2.040 0 40 DEAB CC(C)CCNC(=O)C1CCN(C(=O)[C@H](C)OCC2CC2)CC1 58312735 FGELZHPGTVQHHE-AWEZNQCLSA-N 324.465 2.202 0 40 DEAB Cc1cccc(C(=O)NCC(=O)N2CCc3sccc3C2)c1 10885962 JOLZPTJGTXHPOC-UHFFFAOYSA-N 314.410 2.371 0 40 DEAB O=C(NC1CCN(c2ccccn2)CC1)c1cccnc1S 36391290 BXCHULBTGLDPST-UHFFFAOYSA-N 314.414 2.164 0 40 DEAB O=C(Cc1cccc(F)c1)N[C@@H](Cc1ccc(F)cc1)C(=O)O 58849294 SBQWFTGHTSVUNV-HNNXBMFYSA-N 319.307 2.319 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc2c(c1)OCO2)C31CC1 100179875 ZGPBKMNGWPVKJX-LWWSYDQCSA-N 309.321 2.117 0 40 DEAB CCN(CC)C(=O)N1CCN(C(=O)[C@@H](C)c2ccsc2)CC1 95399335 VNEDYXVXENJAKE-ZDUSSCGKSA-N 323.462 2.458 0 40 DEAB COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)c2ccc(C)s2)C1 57315189 FZSZUQACGYXNMM-YPMHNXCESA-N 324.446 2.060 0 40 DEAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCOCC1 29486920 HJTXAUHNTKNTSD-HNNXBMFYSA-N 324.380 2.052 0 40 DEAB O=C(CN1C(=O)NC2(CCCCC2)C1=O)Nc1ccc(F)cc1 2616385 BMMNTSMHHGMEAL-UHFFFAOYSA-N 319.336 2.019 0 40 DEAB Cc1ccc2nc(C(=O)N3CCN(c4ccccn4)CC3)cn2c1 12324032 NZUWMXPPYWMVGI-UHFFFAOYSA-N 321.384 2.000 0 40 DEAB CC(C)CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 3329084 PYZKOIXXUQLJFI-UHFFFAOYSA-N 318.398 2.121 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)CNC(=O)c1ccccc1Cl 48331981 VEAZYHNMMGJFAR-LBPRGKRZSA-N 324.808 2.097 0 40 DEAB COC(=O)CCCNC(=O)COc1c(C)cc(Cl)cc1C 12854939 PVJCLHJZLCRLMI-UHFFFAOYSA-N 313.781 2.405 0 40 DEAB COc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1F 25450302 QCDSIKDXLITMKM-GFCCVEGCSA-N 317.316 2.404 0 40 DEAB O=c1[nH]c(CSC2=NCCCN2)nc2cc(Cl)ccc12 13042281 XYFWOUMBDSWYCP-UHFFFAOYSA-N 308.794 2.159 0 40 DEAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 71280440 OKAMFMVXEIERJY-STQMWFEESA-N 301.298 2.088 0 40 DEAB Cc1ccc(Cl)cc1NC1=N[C@H]2CS(=O)(=O)C[C@@H]2S1 3907050 FGSHRAFFCZPEKU-QWRGUYRKSA-N 316.835 2.329 0 40 DEAB CN1C(=O)[C@@H](NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc21 13587889 UXGBWTAKUZNVBG-INIZCTEOSA-N 319.364 2.485 0 40 DEAB Cn1nc2c(cc1=O)CN(Cc1cc(F)cc3cccnc13)CC2 72302462 ICYLCJQPTYJHMW-UHFFFAOYSA-N 324.359 2.026 0 40 DEAB Cc1nnc2n1C[C@@H](NCc1c[nH]nc1-c1ccccc1)CC2 65521418 CYXLIGWYLCMTCJ-HNNXBMFYSA-N 308.389 2.081 0 40 DEAB CC[C@@H](C)[C@@H](C)N(CC(=O)NC1CCN(C(C)=O)CC1)C1CC1 65568676 KPSUZVMICQKBSN-ZIAGYGMSSA-N 323.481 2.013 0 40 DEAB Cc1ccc(NC(=O)NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1C 14119922 GKKIQMKCEQRTAN-OKILXGFUSA-N 319.405 2.061 0 40 DEAB CC[C@](C)(O)CNC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1 66158881 OOQOFEXDNMJEFT-KRWDZBQOSA-N 321.421 2.497 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C(=O)NCc2ccncc2)c1C 9322854 WNTILZJBGADZTJ-UHFFFAOYSA-N 301.346 2.133 0 40 DEAB CCc1ccc(OCC(=O)Oc2ccc(-n3cnnn3)cc2)cc1 14791097 CXPLUOOIOWVRAQ-UHFFFAOYSA-N 324.340 2.209 0 40 DEAB CON(C)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 66605541 WSOVUGFINBTMRY-PMPSAXMXSA-N 316.401 2.480 0 40 DEAB Cc1ccccc1[C@@H](C)NC(=O)CN1C(=O)c2ccccc2C1=O 15152709 JCFRHWIPQRARMH-CYBMUJFWSA-N 322.364 2.468 0 40 DEAB C[C@H](CNCc1cc(F)ccc1Br)[S@](C)=O 90193580 BNVZUGVWPVTKAP-VPTHRUTESA-N 308.216 2.445 0 40 DEAB COc1ccc(C)cc1CC(=O)NCc1c(C)cc(C)[nH]c1=O 9477622 WXIWJPNWQGJQJM-UHFFFAOYSA-N 314.385 2.168 0 40 DEAB C[C@H]1CN(CCc2ccncc2)CCN1CCc1ccncc1 71794317 SAGPNGDKPYDMDF-KRWDZBQOSA-N 310.445 2.268 0 40 DEAB O=C(NCCOCc1ccccc1)N[C@@H]1CCN2CCCC[C@H]12 96446987 XKJAZWCPPASTPZ-IAGOWNOFSA-N 317.433 2.129 0 40 DEAB CN(Cc1ccccc1)C(=O)Cn1c(=O)cnc2ccccc21 7718713 UCFFBCGGQZJLIG-UHFFFAOYSA-N 307.353 2.055 0 40 DEAB Cc1cc(NC(=O)CN[C@@H](c2ncc(C)s2)C2CC2)no1 97374407 YOUMORUVVLXGAK-CYBMUJFWSA-N 306.391 2.427 0 40 DEAB O=C1CCN(C(=O)C2(c3cccc(Cl)c3)CCC2)CCN1 71839554 FCNKZQZUESIGIE-UHFFFAOYSA-N 306.793 2.110 0 40 DEAB O=C(COC(=O)[C@H]1C[C@H]1c1ccco1)Nc1ccc(O)cc1 84432307 ZRLFGLLNKDNJSE-OLZOCXBDSA-N 301.298 2.271 0 40 DEAB O=C(Cc1ccccc1Cl)NCc1nnc2ccccn12 9605146 IEVYZWCOTAHITF-UHFFFAOYSA-N 300.749 2.242 0 40 DEAB O=C1S/C(=C\c2ccccc2)C(=O)N1CN1CCOCC1 19229186 KFYDLVGGZHAWDB-RAXLEYEMSA-N 304.371 2.013 0 40 DEAB Cn1ncc(COc2ccccc2CC(N)=O)c1C(F)(F)F 95442509 UBCCPBVRFOCRBW-UHFFFAOYSA-N 313.279 2.046 0 40 DEAB CN(C)c1ccccc1NS(=O)(=O)c1cn2c(n1)CCCC2 95468347 GQXSCQSMIYRCDA-UHFFFAOYSA-N 320.418 2.086 0 40 DEAB O=C(CN1CCc2c(ncn2C2CC2)C1)N1CCc2ccccc21 95950601 YOOLBKWLOQLHDE-UHFFFAOYSA-N 322.412 2.165 0 40 DEAB C[C@@H](NCC(=O)N1CCOCC1)c1ccccc1C(F)(F)F 95985439 RWBRHJXNCRYCKC-LLVKDONJSA-N 316.323 2.215 0 40 DEAB Cc1nc([C@H]2COCCN2c2ccnc(-c3ccccc3)n2)no1 95999724 CRNYQNYITGFVFA-CQSZACIVSA-N 323.356 2.413 0 40 DEAB O=C(Cc1ccc(F)cc1F)N1CCCC[C@@H]1c1nc[nH]n1 95989312 RGYNFZDKRRCKRS-CYBMUJFWSA-N 306.316 2.379 0 40 DEAB Cc1ncccc1C(=O)N1CCC(C(=O)Nc2ccccn2)CC1 95953398 VPAYQONTSREZFX-UHFFFAOYSA-N 324.384 2.276 0 40 DEAB CCOc1cc(C)c(S(=O)(=O)NC[C@@H]2CCCO2)cc1C 74921819 LNTOSBZNZGMOGP-ZDUSSCGKSA-N 313.419 2.159 0 40 DEAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NC[C@H](O)c1ccccc1F 89522768 KDEVMYPQHXKHLW-HWPZZCPQSA-N 319.380 2.194 0 40 DEAB Cc1cc(CNC(=O)c2ccc(-c3ccccc3)[nH]c2=O)no1 75123398 DQBBNAVOEYQPNM-UHFFFAOYSA-N 309.325 2.268 0 40 DEAB Cc1csc([C@@H](Nc2ncccc2S(N)(=O)=O)C2CC2)n1 89705423 BFCUVGFDLDOYTN-NSHDSACASA-N 324.431 2.057 0 40 DEAB O=C(NC[C@H]1C[C@@]12CCc1ccccc12)c1ccc2nncn2c1 89858027 KDQIYDWTAIBNFS-BEFAXECRSA-N 318.380 2.363 0 40 DEAB O=C1NCCN1c1cccc(C(=O)N2CCOc3ccccc32)c1 89865611 NDSLTBIMUFDUEL-UHFFFAOYSA-N 323.352 2.255 0 40 DEAB Cn1cc([C@]2(C)CN(C(=O)c3cccc4cc[nH]c34)CCO2)cn1 89919556 BKGRTQMXPFCLQP-SFHVURJKSA-N 324.384 2.289 0 40 DEAB C[C@H]1CN(C)CCN1C(=O)/C=C/c1c(Cl)nc2ccccn12 89937685 LFWGCERQASXZBZ-SYTKJHMZSA-N 318.808 2.163 0 40 DEAB CCO[C@@H]1C[C@H](N(C)C(=O)CCn2cncn2)C12CCCCC2 76022990 ACVNNIDLQNVKFZ-LSDHHAIUSA-N 320.437 2.255 0 40 DEAB C[C@H](Nc1ccc2c(c1)CC(=O)N2)c1nnnn1-c1ccccc1 76083341 SOLMMCBWFYPPMO-NSHDSACASA-N 320.356 2.330 0 40 DEAB Cc1ccc(C(=O)N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 408617958 BMUQLUHRVBWDIK-YZXKGSGOSA-N 307.349 2.188 0 40 DEAB CCc1ccsc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 78986841 FJGHHMUXZROTMM-VIFPVBQESA-N 320.336 2.204 0 40 DEAB CCC[C@H](NCc1cnc(NCc2ccccc2)nc1)C(=O)O 218754523 DJPCMTHMHXCYNS-HNNXBMFYSA-N 314.389 2.432 0 40 DEAB COc1cccc(-c2nccnc2[C@H]2CCCN(CCO)C2)c1 72358377 LGLPCJAJUOEJML-HNNXBMFYSA-N 313.401 2.324 0 40 DEAB CC[C@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1cccc(C)c1C 77845011 WDIGYSSPILLCQJ-SJCJKPOMSA-N 306.406 2.155 0 40 DEAB C[C@@H]1NC(=S)N(Cc2ccnc(OC3CCCC3)c2)C1=O 30920484 UJJHQKOBHGMFCC-JTQLQIEISA-N 305.403 2.008 0 40 DEAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)CN1CCOCC1 568988557 WTAXWMPQTFKWAN-SFHVURJKSA-N 320.408 2.082 0 40 DEAB CN1CCN(c2ccc(NC(=O)c3cccs3)cc2N)CC1 226263968 YTXYKALDMBOPSE-UHFFFAOYSA-N 316.430 2.334 0 40 DEAB Cc1ccc(S(=O)(=O)C[C@@H](C)Nc2cc(C)ncn2)cc1 131082421 YAJJUAUQAKPKAB-CYBMUJFWSA-N 305.403 2.368 0 40 DEAB Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(C)C)nc2)cc1C 224270800 PNDZCLSEDHFPMV-UHFFFAOYSA-N 320.418 2.269 0 40 DEAB COc1ccc(C(=O)N2CC[C@H](c3nnc(C)o3)C2)cc1OC 49170713 LSTMSYXTTAMICB-LBPRGKRZSA-N 317.345 2.025 0 40 DEAB biogenic,in-vitro CN(CC(=O)NC(C)(C)C)Cc1ccn(-c2cccc(F)c2)n1 64555609 CULUGPSAACFGGO-UHFFFAOYSA-N 318.396 2.358 0 40 DEAB CNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1 85474001 JVXOFJHUWVLEHC-UHFFFAOYSA-N 305.403 2.267 0 40 DEAB CCN(CCCN1CCCC1)C(=O)NC1C[C@@H](C)O[C@H](C)C1 190232583 MYKUITGGAIKOJX-HUUCEWRRSA-N 311.470 2.460 0 40 DEAB c1cncc(CN2CCC3(CCN([C@H]4CCOC4)CC3)C2)c1 96157418 WFLOOSGCKIQGIM-KRWDZBQOSA-N 301.434 2.158 0 40 DEAB COc1ccc([C@@H](OCC(=O)O)C(F)(F)F)c(OC)c1OC 95096432 YCWLCCIJRLQXKG-GFCCVEGCSA-N 324.251 2.417 0 40 DEAB c1cncc(CN2CCn3cc(CN4CCCCC4)nc3C2)c1 96059407 AUXOCBQHULZOBW-UHFFFAOYSA-N 311.433 2.280 0 40 DEAB CS(=O)(=O)[C@](Cl)(Br)C(=O)c1ccccc1 96518142 DVUNLTZIUCOMBI-VIFPVBQESA-N 311.584 2.201 0 40 DEAB CN1CCc2ncnc(N(C)CCOc3ccccc3F)c2C1 97204047 PGSDPHQEMJEFKD-UHFFFAOYSA-N 316.380 2.119 0 40 DEAB Cc1ccc(C(=O)NC[C@@H]2SCCc3ccccc32)c(=O)[nH]1 96454671 WYNYPCURKGMQRQ-HNNXBMFYSA-N 314.410 2.444 0 40 DEAB COc1ccc(NS(=O)(=O)c2cccc(F)c2F)c(C)n1 96469260 XJUKDTVNWHIDLX-UHFFFAOYSA-N 314.313 2.478 0 40 DEAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)CNCCN1CCCCC1 245227235 HPNHNBIPYBQKSL-BXWFABGCSA-N 321.509 2.393 0 40 DEAB CCC[C@H](C)CS(=O)(=O)NC(=O)Cc1nc(C)sc1C 252478040 AARCBCSKDHZWND-VIFPVBQESA-N 318.464 2.185 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@@H](Cc2nccs2)C1 257311858 ULHPACLBACRXRM-LBPRGKRZSA-N 302.403 2.336 0 40 DEAB Cc1cncc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)n1 257215040 COJXLJOUEBVHTL-MRXNPFEDSA-N 317.414 2.452 0 40 DEAB CC(=O)N1CCC[C@H]2N(C(=O)c3scnc3C)CCC[C@@]21C 257342798 ZQFLNDGTMWLIPP-CJNGLKHVSA-N 321.446 2.457 0 40 DEAB CC(C)[C@H]1COC(=O)N1c1cncc(C2CCN(C)CC2)n1 257325819 WUOFMKVPQJSFRT-CQSZACIVSA-N 304.394 2.267 0 40 DEAB O=C(c1ccccc1Cl)N1CCC2(CC1)OCCC[C@H]2O 257238238 HKCBAXADKZLXOC-CQSZACIVSA-N 309.793 2.486 0 40 DEAB C[C@@H](C(=O)N1CCc2ccccc2C1)n1nc(C2CC2)ccc1=O 575606993 HTKRUVLSAKXMDP-ZDUSSCGKSA-N 323.396 2.267 0 40 DEAB c1ccc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)nc1 585103143 RSJIQVFEXYDYRE-MRXNPFEDSA-N 302.418 2.489 0 40 DEAB Cc1ccc(C[C@H](C)NC(=O)c2c(C)c(C)nn(C)c2=O)s1 71915287 ZKZBZIZBOCZSOU-VIFPVBQESA-N 319.430 2.128 0 40 DEAB FC(F)(F)c1nnc2n1CCN(c1cnc3ccccc3n1)C2 172615907 KDSHNDSUBRNVQY-UHFFFAOYSA-N 320.278 2.260 0 40 DEAB O=C(NCc1ccc(-c2cccnc2)cc1)N1CCC[C@@H]1CO 74915458 UUSBLVSCKAYAOP-QGZVFWFLSA-N 311.385 2.415 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)Cc2c(F)cccc2F)c(=O)[nH]1 75120560 PKFIUCGRDOWDMB-SNVBAGLBSA-N 306.312 2.323 0 40 DEAB CSc1nc(C(=O)O[C@H](C)Cn2cccn2)c2ccccn12 79052477 MQXRXECAWDOIRS-LLVKDONJSA-N 316.386 2.498 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@]2(C1)C(=O)Nc1ccc(N)cc12 725328541 XBDXPAMKJVXXNM-MRXNPFEDSA-N 303.362 2.100 0 40 DEAB CC[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccco1 12185271 ZJIMEVHUTNELHO-ZDUSSCGKSA-N 311.341 2.198 0 40 DEAB CCn1nc(C)c(NS(=O)(=O)c2ccc(OC)cc2)c1C 14227535 QKRQSXKCQSIQLO-UHFFFAOYSA-N 309.391 2.329 0 40 DEAB CCCC(=O)NCCc1nc(N(C)C)ncc1-c1ccncc1 19501741 WXZRSYDCBXJHHC-UHFFFAOYSA-N 313.405 2.063 0 40 DEAB CO[C@@]1(COc2cccc(F)c2)CCN(Cc2cn(C)cn2)C1 643914414 QZALIUGEGQGECW-KRWDZBQOSA-N 319.380 2.229 0 40 DEAB CC(C)CC[C@H](C)NC(=O)c1nn(C)c(=O)c2ccccc12 6882325 NNSJZZZLFAGISR-LBPRGKRZSA-N 301.390 2.488 0 40 DEAB COc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(=O)O)C1 13260792 BSKDRGAOAYFMLZ-JTQLQIEISA-N 311.765 2.214 0 40 DEAB CC(C)(C)C(=O)N1C[C@H]2CN(C(=O)c3ccsc3)C[C@H]2C1 959828666 QUSAKBTYSDJOCR-BETUJISGSA-N 306.431 2.325 0 40 DEAB COC1(CC(=O)N2CCc3ncnc(C4CC4)c3CC2)CCC1 2055731627 OYTSJPGSSDHASK-UHFFFAOYSA-N 315.417 2.240 0 40 DEAB CSCC[C@H](O)CNC(=O)c1ccc(Br)cc1 1775967006 BFAIPSPPODKQEQ-NSHDSACASA-N 318.236 2.293 0 40 DEAB CCCCSCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 23129994 WRJTXOHKXYYEGJ-UHFFFAOYSA-N 306.387 2.384 0 40 DEAB Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCCCNC1=O 40521333 QDAVKUILRLEXPA-CYBMUJFWSA-N 313.357 2.049 0 40 DEAB CN(CC(=O)NC(C)(C)C)C(=O)N[C@H]1CCc2ccccc21 40501120 CZNORSPUKKDBKR-AWEZNQCLSA-N 303.406 2.230 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)COc2ccccc2)C[C@@H](C)O1 21055505 GPHNDXLEVHNSQR-GASCZTMLSA-N 320.433 2.069 0 40 DEAB N[C@@H]1CCCN(C(=O)c2cc(F)ccc2Br)C1 41028276 VTDMTURNUOAKSB-SECBINFHSA-N 301.159 2.152 0 40 DEAB COc1cccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(F)cc32)c1 21651337 ZXYNYMYYOZLGNF-QGZVFWFLSA-N 315.300 2.247 0 40 DEAB CC(C)N(CC(N)=O)C(=O)Cc1ccc(Cl)c(Cl)c1 32970879 CPMRAKPVUJDHNY-UHFFFAOYSA-N 303.189 2.258 0 40 DEAB c1cncc([C@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)c1 22017979 RLZZUTSVJPIJAV-HZPDHXFCSA-N 304.390 2.488 0 40 DEAB C[C@H]1CCc2[nH]c(=O)c(C(=O)NCCCc3ccco3)cc2C1 61719787 JRDFIVBZLZNXFR-LBPRGKRZSA-N 314.385 2.455 0 40 DEAB C[C@@H](COc1ccc(F)cc1F)NC(=O)NC[C@H]1CCCO1 55088210 JGAFGSDMWIWTDS-CMPLNLGQSA-N 314.332 2.210 0 40 DEAB CC[C@@H](CO)NC(=O)NCc1ccc(N2CCCCCC2)nc1 47600026 QMVTVQMSUIREPJ-HNNXBMFYSA-N 320.437 2.032 0 40 DEAB C[C@H]1CN(C(=O)c2cc(F)cc(Br)c2)CCN1 88059109 ZKUQXBHFERNLAK-QMMMGPOBSA-N 301.159 2.022 0 40 DEAB CNC(=O)CCOc1ccc(NC(=O)NCCC(C)C)cc1 78522541 NHIQHXSMDRXWJQ-UHFFFAOYSA-N 307.394 2.369 0 40 DEAB C[C@H]1COC2(CCN(C(=O)[C@@]3(C)CC3(Cl)Cl)CC2)O1 78846267 LMRDCQWSYNTMPM-GXSJLCMTSA-N 308.205 2.324 0 40 DEAB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccc(-c2ccn[nH]2)c1 24882865 ZQEGSMLBYIVTJJ-LLVKDONJSA-N 324.340 2.427 0 40 DEAB Nc1nonc1-c1noc(Cc2ccc(Br)cc2)n1 4776212 WSUQAYQWAGXECR-UHFFFAOYSA-N 322.122 2.055 0 40 DEAB CN1CC[C@H](C(=O)NCC2(c3ccccc3)CCCC2)CC1=O 44349996 DXYHXGFNKQUDCA-HNNXBMFYSA-N 314.429 2.483 0 40 DEAB CCNC(=O)C1(NC(=O)c2cccc3[nH]ncc23)CCCCC1 58201988 PVNYIFDVYWRYOB-UHFFFAOYSA-N 314.389 2.132 0 40 DEAB COc1ccccc1C[C@H](C)NC(=O)[C@@H](C)OC[C@@H]1CCCO1 58298546 GRJAGPKFUZERBY-LZWOXQAQSA-N 321.417 2.327 0 40 DEAB Cc1ccn2cc(CNC(=O)CN(C)Cc3ccccc3)nc2c1 58308562 GKXNHRXPDUZRLA-UHFFFAOYSA-N 322.412 2.391 0 40 DEAB CN1CC[C@@]2(c3ccccc3)CCN(Cc3cnn(C)c3)C[C@H]12 107755594 KIKDBKSXYHFZDL-OALUTQOASA-N 310.445 2.268 0 40 DEAB 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317.437 2.390 0 40 DEAB Cc1nc([C@H]2COCCN2C(=O)Cc2ccccc2Cl)no1 96000932 CUTAIIDRJNQDRE-CYBMUJFWSA-N 321.764 2.174 0 40 DEAB CC(C)c1n[nH]c(SCc2nnnn2-c2ccccc2)n1 14114570 HVYHDDJFNKYENA-UHFFFAOYSA-N 301.379 2.196 0 40 DEAB NC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)c1ccccc1 14260017 FPLJUOHRCFHMJJ-HNNXBMFYSA-N 309.369 2.375 0 40 DEAB O=C(c1cnccn1)N1CCN(c2ccccc2Cl)CC1 9338907 MGRIMYUVXDHRQF-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB O=C(Nc1nccs1)[C@@H]1CC(=O)N(CCc2ccccc2)C1 6652763 RGTJGVJJWKJDNE-CYBMUJFWSA-N 315.398 2.173 0 40 DEAB COC(=O)[C@@H]1C[C@@H](Oc2ccc(Br)cc2C)CN1 19735868 FGKUOGOMLYRVOK-MNOVXSKESA-N 314.179 2.040 0 40 DEAB COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2cc[nH]n2)cc1 66631789 PTALXHZHPXOGPU-CQSZACIVSA-N 314.345 2.246 0 40 DEAB C[C@@H]1CN(C(=O)CSc2nnc(-c3ccco3)o2)C[C@@H](C)O1 4836059 DNSOXNFWNUIHIX-NXEZZACHSA-N 323.374 2.058 0 40 DEAB Cc1sc2nc(CCN)nc(N[C@@H](C)c3ncn[nH]3)c2c1C 65435877 OEURDRXXIKQFON-QMMMGPOBSA-N 317.422 2.101 0 40 DEAB C[C@@]1(C(=O)CSc2nc(-c3ccccc3)n[nH]2)CCC(=O)O1 5955146 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CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1CCC[C@H]1O 569227575 ZYYJCIAWURSEHO-MJBXVCDLSA-N 313.438 2.220 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)C(C)C)ccc1N(C)S(C)(=O)=O 225228783 UQEWBCKKAWVONQ-LBPRGKRZSA-N 312.435 2.165 0 40 DEAB Cn1cc(CCCn2nc(-c3ccc(F)cc3)oc2=O)cn1 88239728 VWAACRUWTKENAQ-UHFFFAOYSA-N 302.309 2.009 0 40 DEAB Cc1ccc(NC(=O)C(=O)NCC(C)C)c(Br)c1 42646269 YJRMIWUHQBWVKR-UHFFFAOYSA-N 313.195 2.468 0 40 DEAB C[C@H](CCO)C1(CNC(=O)c2cccc3oc(O)nc23)CCC1 576714848 HHOYZTWPCMBODI-LLVKDONJSA-N 318.373 2.452 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)NC[C@@](C)(O)c1ccccc1Cl 195564894 HUDRPUQELBNPFL-VZJVUDMVSA-N 312.797 2.024 0 40 DEAB O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1c[nH]nn1 96419332 DVRRGHJSBPKAQF-QGZVFWFLSA-N 322.368 2.493 0 40 DEAB Cc1ccc(CN2CCC[C@@]3(CO[C@@H](C(=O)N(C)C)C3)C2)o1 96048886 NMHRLHSWSBKWEE-WBVHZDCISA-N 306.406 2.047 0 40 DEAB CCC[C@@H](CC(=O)O)NC(=O)c1c(Cl)nc2ccccn12 97231409 YRVBOIDEPLRPPL-VIFPVBQESA-N 309.753 2.361 0 40 DEAB CC(=O)Nc1cccc(Cn2nc(C(F)(F)F)ccc2=O)c1 95437161 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DEAB CCOc1ccc2c(c1)s/c(=N/C(=O)c1ccn(C)n1)n2C 13667908 RBOKDARKCHATGZ-FOCLMDBBSA-N 316.386 2.113 0 40 DEAB Cn1ccc(C(=O)N2CC[C@@H](c3nc(C4CCCC4)no3)C2)n1 19290873 DOCSEUOYLLGYGU-GFCCVEGCSA-N 315.377 2.090 0 40 DEAB CN(Cc1cnc[nH]1)S(=O)(=O)CCc1cccc(Cl)c1 574585001 PCXGHNIQBWIRBD-UHFFFAOYSA-N 313.810 2.067 0 40 DEAB CCOC(=O)Cc1csc(NC(=O)/C=C/c2ccco2)n1 3179018 LXMXWPFLDNAFGV-AATRIKPKSA-N 306.343 2.494 0 40 DEAB COC[C@@H]1CN(C)C[C@@]12CCN(C(=O)c1cc(C)cs1)C2 1614938717 CRBUUSJSCANUSM-XJKSGUPXSA-N 308.447 2.097 0 40 DEAB O=C(N1C[C@H]2C[C@H]1C[C@H]2OCc1cccnc1)C1(F)CCC1 1565553927 MUAFPODMNUYKRS-QLFBSQMISA-N 304.365 2.480 0 40 DEAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2cc(C3CC3)ncn2)C1 641359376 OUEUCHMGFJNZMP-CYBMUJFWSA-N 302.422 2.485 0 40 DEAB NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2F)cc1 1739735 OWWHFDSAOSYTOX-UHFFFAOYSA-N 309.322 2.117 0 40 DEAB in-vitro CCO[C@H]1C[C@H](NCC2(N(C)C)CCOCC2)C12CCCC2 96493396 BLZHLCFVNYYDPX-HOTGVXAUSA-N 310.482 2.425 0 40 DEAB CC(C)(C(N)=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 52521570 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CCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl 4129690 HNPDRRLXOJUUSF-UHFFFAOYSA-N 321.764 2.127 0 40 DEAB CCCOc1ccccc1[C@@H]1NC(=S)NC(C)=C1C(=O)OC 6593538 MPOGNCPQDSTIFW-AWEZNQCLSA-N 320.414 2.441 0 40 DEAB Cc1ccccc1/C=C/C(=O)NCCc1nnc2ccccn12 44889234 OLYNAJHYFNTZAE-MDZDMXLPSA-N 306.369 2.410 0 40 DEAB CN1CCC(Oc2cc(NC(=O)c3cscn3)ccn2)CC1 95462404 XTPYAXIBDSDLBW-UHFFFAOYSA-N 318.402 2.263 0 40 DEAB COCCn1c([C@@H]2CC(=O)N(C(C)C)C2)nc2ccccc21 9184793 TXFGRWDZFPICJO-CYBMUJFWSA-N 301.390 2.407 0 40 DEAB Cc1ccc(C(=O)NCCNc2cc(=O)oc3ccccc23)cn1 10313697 ZQBCYNYYHGXFDV-UHFFFAOYSA-N 323.352 2.338 0 40 DEAB C[C@H]1CCCN(S(=O)(=O)NCc2ccc(Cl)cc2)C1 27931717 JYMYDASMXXRWTI-NSHDSACASA-N 302.827 2.406 0 40 DEAB CCOC(=O)NC1CCN(C(=O)c2ccc(C(C)=O)cc2)CC1 95395245 MUFFIJPSGCDSIG-UHFFFAOYSA-N 318.373 2.240 0 40 DEAB C[C@H]1CCCCN1C(=O)NCCc1nnc2n1CCCCC2 45385432 BLYLTKNOOMOHEG-ZDUSSCGKSA-N 305.426 2.131 0 40 DEAB COCCOCCC(=O)Nc1ccc(Cl)cc1NC(C)=O 84774042 VAKFABOQPDGVQW-UHFFFAOYSA-N 314.769 2.290 0 40 DEAB O=S(=O)(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1ccccc1 95437351 HMZKGFYZAKWFOK-KFWWJZLASA-N 307.415 2.313 0 40 DEAB O=C(c1ccc[nH]c1=S)N1CCN(c2ccccc2O)CC1 29338925 UWJQAYRUYDJATL-UHFFFAOYSA-N 315.398 2.412 0 40 DEAB Cc1cc2nc(C)c(CCC(=O)N(C)CC3CC3)c(C)n2n1 47919932 YJJHABLWVJJCFK-UHFFFAOYSA-N 300.406 2.456 0 40 DEAB CC(C)C(=O)N1CCC(NC(=O)CCc2ccsc2)CC1 25248470 WYZHAANFFPOVGV-UHFFFAOYSA-N 308.447 2.444 0 40 DEAB CCOC(=O)[C@](O)(CC(=O)c1ccc(OC)cc1)C(F)(F)F 2762248 HJQKNHDCMKNKED-CYBMUJFWSA-N 320.263 2.125 0 40 DEAB Cc1occc1C(=O)N1[C@H]2CC[C@H]1CN(Cc1cccnc1)C2 107262463 MERZBYBOPDVTOS-HOTGVXAUSA-N 311.385 2.472 0 40 DEAB CC[C@@H]1CN(C(=O)c2cccnc2OCC(F)(F)F)CCO1 48137833 CEQSUJOUCCJWTB-SNVBAGLBSA-N 318.295 2.274 0 40 DEAB Cc1nnc([C@H](C)OC(=O)/C=C/c2c(C)nn(C)c2Cl)o1 48290399 QJEVEGMTWZNPPZ-GJIOHYHPSA-N 310.741 2.391 0 40 DEAB CN(CCOc1ccccc1)C[C@@H](O)COc1ccccc1 3311806 XMHPOBVTXUTADF-MRXNPFEDSA-N 301.386 2.437 0 40 DEAB CNC(=O)C1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 12860562 GLOCVGOSEUSKJN-AATRIKPKSA-N 306.793 2.338 0 40 DEAB CCO[C@H]1C[C@H](O)C12CCN(C(=O)CCc1cccs1)CC2 72294798 WPOLSOPWUCFAGU-GJZGRUSLSA-N 323.458 2.459 0 40 DEAB CCCCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O 25377324 UHUPXGDDRJWQAH-UHFFFAOYSA-N 318.826 2.022 0 40 DEAB O=C(c1ccc(=O)[nH]c1)N1CCc2cc(Br)ccc21 49342643 FIIHWTVBIWWZNX-UHFFFAOYSA-N 319.158 2.340 0 40 DEAB Cc1ccccc1-c1nc2s/c(=C/c3ccco3)c(=O)n2n1 6208474 NSCCAQNPPXBPME-UKTHLTGXSA-N 309.350 2.267 0 40 DEAB COc1cc(C)cc2oc(=O)c(CC(=O)NC3CC3)c(C)c12 5348460 QRZYMPGYQFBOQX-UHFFFAOYSA-N 301.342 2.240 0 40 DEAB COc1ccc(OCC(=O)Nc2cc(N)ccc2OC)cc1 19736179 ZKCLBJGPMRRPAZ-UHFFFAOYSA-N 302.330 2.304 0 40 DEAB CCOc1ccc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)cc1 4547936 JRWHVKKAUITHET-UHFFFAOYSA-N 316.357 2.133 0 40 DEAB COC(=O)c1cn(C2CCN(C[C@@H]3CC=CCC3)CC2)nn1 97139365 MUAALRMHVJFURT-CYBMUJFWSA-N 304.394 2.058 0 40 DEAB COC(=O)C1(CNCc2cccc3[nH]ccc23)CCOCC1 97108634 WPHDBWNNLRUBBW-UHFFFAOYSA-N 302.374 2.227 0 40 DEAB Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)O)C2)s1 6750930 YJNSMIPYOKXYPX-NSHDSACASA-N 306.391 2.247 0 40 DEAB C[C@H](NC(=O)c1cccs1)C(=O)Oc1ccc2[nH]ncc2c1 72310720 CQQNEIRPCHIRMT-VIFPVBQESA-N 315.354 2.348 0 40 DEAB O=C1N[C@H](CCc2ccccc2)C(=O)N1CC1(O)CCCCC1 71824995 LJNJOYNVFPOYCQ-OAHLLOKOSA-N 316.401 2.235 0 40 DEAB Cc1csc(N2CCN(C(=O)[C@H]3C[C@H]3c3ccco3)CC2)n1 71836385 JDWYDWFBORJXKX-OLZOCXBDSA-N 317.414 2.497 0 40 DEAB CCn1nc(C)c(S(=O)(=O)NCc2ccccc2OC)c1C 28577786 FFHPVVHLIGHKRF-UHFFFAOYSA-N 323.418 2.007 0 40 DEAB C[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 7943176 KOQXQKMFBYIYNE-GFCCVEGCSA-N 307.353 2.457 0 40 DEAB O=C(NCc1noc(-c2ccccc2)n1)[C@@H]1Cc2ccccc2O1 68927026 PFCDFBTXNMXTJS-HNNXBMFYSA-N 321.336 2.357 0 40 DEAB O=C(CN[C@@H](c1ccccc1)C(F)(F)F)N1CCSCC1 71916694 YCRWGRHSLLXYCD-ZDUSSCGKSA-N 318.364 2.455 0 40 DEAB OCCCCN1CCN(c2ncnc3cc(Cl)ccc23)CC1 71922350 WEOGBQLUSBDJNF-UHFFFAOYSA-N 320.824 2.178 0 40 DEAB C[C@@H](O)CN1CCC(CNc2ncnc3ccccc23)CC1 69368756 RYAJDYXWCXDVEV-CYBMUJFWSA-N 300.406 2.135 0 40 DEAB CCn1nnc2cc(C(=O)Nc3ccc(C(=O)NC)cc3)ccc21 8424000 YZJMCIPVODCQLV-UHFFFAOYSA-N 323.356 2.063 0 40 DEAB CC[C@@H](O)CN(c1ccccc1)S(=O)(=O)c1c(C)noc1C 69533926 WAMFXMMPKGPJIM-CQSZACIVSA-N 324.402 2.258 0 40 DEAB Cc1cc(NC(=O)NC[C@@H](CC(C)C)N2CCCC2)n(C)n1 69590557 RZYPDBRMVUFDSC-CQSZACIVSA-N 307.442 2.361 0 40 DEAB C[C@H](C(=O)N1CCCc2ccccc21)N1CC(n2cccn2)C1 69779056 RLVMLVPSIZEPFA-CQSZACIVSA-N 310.401 2.108 0 40 DEAB CCC(N[C@H](C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O 18022896 VGVRPXDWSAJPOU-LLVKDONJSA-N 315.373 2.052 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)[nH]c1)c1ccc(-n2ccnc2)cc1 18048301 DOMKIJOIBIVLKG-LBPRGKRZSA-N 308.341 2.052 0 40 DEAB COc1cccc(CN(C)CC2CCN(C[C@@H](C)O)CC2)c1 69897179 ZHJMGMSXHRPAKH-OAHLLOKOSA-N 306.450 2.220 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCCC3)C2)s1 69810635 ZITQVLQCBLJUNQ-LBPRGKRZSA-N 314.476 2.352 0 40 DEAB CCOC(=O)N1CCC(N[C@H](C)CN2CCC[C@H](C)C2)CC1 97036838 AYLUXMJYXMGIJG-LSDHHAIUSA-N 311.470 2.317 0 40 DEAB CCn1nc(C)cc1C(=O)N[C@@H](CC(=O)O)c1ccccc1C 95989817 RMMDGAXLPPXPKW-AWEZNQCLSA-N 315.373 2.466 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cc(C)n(C(C)(C)C)n2)c(=O)[nH]1 75117723 SCOWTRDQLAGDII-UHFFFAOYSA-N 316.405 2.182 0 40 DEAB CC[C@@H](C)S(=O)(=O)NCc1ccc(-n2nc(C)cc2C)nc1 75106902 SYIJPPXBZLXBIC-CYBMUJFWSA-N 322.434 2.102 0 40 DEAB C[C@H](NC(=O)[C@H](C)N(C)CC1(O)CCCC1)c1ccccc1 89905495 FAHXYRCMURWCTB-GJZGRUSLSA-N 304.434 2.489 0 40 DEAB CCN(CC(C)(C)O)C(=O)NCc1cccc(-n2ccnc2)c1 89961033 SGEMLJIWMQCBJJ-UHFFFAOYSA-N 316.405 2.175 0 40 DEAB Cc1ccc(-n2c(=S)[nH]c(C)c(CC(=O)O)c2=O)cc1C 20156370 FZUCDTGILKVXLF-UHFFFAOYSA-N 304.371 2.447 0 40 DEAB Cc1cc(C)c(OCc2nc(C)c(CC(=O)O)c(=O)[nH]2)c(C)c1 217392723 JPABUYZUOQRAIQ-UHFFFAOYSA-N 316.357 2.210 0 40 DEAB Cc1cc(Br)cc(C(=O)N[C@@H](C)Cn2cncn2)c1 125351908 HDXGXTONMVFNNK-JTQLQIEISA-N 323.194 2.168 0 40 DEAB CCn1nc(C)c2nnn(Cc3ccc(Cl)cc3)c(=O)c21 72265372 UGQYWLHOXUFPRN-UHFFFAOYSA-N 303.753 2.018 0 40 DEAB CC(C)(C)OC(=O)N1CCC(Cn2cc(C(=O)O)cn2)CC1 72366199 YGCYOCICFPWHNN-UHFFFAOYSA-N 309.366 2.228 0 40 DEAB COCCNc1cc([C@@H]2CN(C3CCCC3)CCO2)nc(C)n1 72387699 KMIDMHMRTYGDGE-INIZCTEOSA-N 320.437 2.159 0 40 DEAB Cc1cc(C(=O)Nc2cnn(C)c2)nc(N2CCCCCC2)n1 72241473 FHUOFJIDCNBBDR-UHFFFAOYSA-N 314.393 2.151 0 40 DEAB O=[S@@](Cc1nnnn1-c1ccccc1)CC1CCCCC1 77477952 JKWCXKUJHMMORN-NRFANRHFSA-N 304.419 2.491 0 40 DEAB COC(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CCCN(C)C2)c1 82334702 GZFBSXZGGSNROT-LLVKDONJSA-N 310.781 2.407 0 40 DEAB COc1ccc(CN([C@H](C)C2CC2)S(C)(=O)=O)c(OC)c1 225755382 AEUYXDGTEJUBEZ-LLVKDONJSA-N 313.419 2.264 0 40 DEAB O=C([C@@H]1CC[C@@H]2[C@@H](CCN2Cc2cccs2)O1)N1CCCO1 96065382 LJZCZDSEHJZFFJ-KFWWJZLASA-N 322.430 2.034 0 40 DEAB O=C(Cc1c[nH]c2ncccc12)N1CCCC[C@H]1[C@@H]1CCNC1 333783190 DYUPTYPURDGNIQ-CJNGLKHVSA-N 312.417 2.096 0 40 DEAB CC[C@@H]1CCCN(S(=O)(=O)c2cnc3onc(C)c3c2)C1 96403289 GSLPDEUBICRJGA-LLVKDONJSA-N 309.391 2.342 0 40 DEAB C[C@@H](NCC1(O)CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 95422364 DLFZQANKOPRKOD-SJLPKXTDSA-N 318.461 2.171 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)Nc3cc(C)on3)CC(=O)N2C)cc1 96181359 OIRPJQOFSAYCFE-XJKSGUPXSA-N 313.357 2.450 0 40 DEAB Cc1cccc(CO[C@H]2C[C@@H]3CN(CC4CC4)CCN3C2)n1 96055107 PLAAWENGSOKAHA-MSOLQXFVSA-N 301.434 2.075 0 40 DEAB CC1(NC(=O)CC2(CS(C)(=O)=O)CC2)CCCCCC1 96446276 KZYQLAPFSQAZJP-UHFFFAOYSA-N 301.452 2.430 0 40 DEAB CC(C)Nc1ccc(F)cc1NC(=O)[C@H](C)N1CCN(C)CC1 97374725 KHKFMLJEMBRRHZ-ZDUSSCGKSA-N 322.428 2.220 0 40 DEAB C1CN(c2nc(C3CC3)ns2)CCN(C2CCOCC2)C1 96455787 WRTTWBKGKFMWNJ-UHFFFAOYSA-N 308.451 2.107 0 40 DEAB CCn1cc(S(=O)(=O)Nc2ncc(C(C)C)s2)cn1 96433497 VCOJXVBECBEIHZ-UHFFFAOYSA-N 300.409 2.284 0 40 DEAB CN(C(=O)c1cc(-c2ccncc2)on1)[C@H](CO)C(C)(C)C 97374795 VNFRUTHUSWVTKY-CQSZACIVSA-N 303.362 2.216 0 40 DEAB CC1(C)[C@@H]2OCCC[C@@H]2[C@H]1OC(=O)c1ccc2nncn2c1 230113161 LBPJURZMMQMHLR-IACUBPJLSA-N 301.346 2.090 0 40 DEAB CC[C@H](C)c1cc(C(=O)NCCC(=O)Nc2ccncc2)on1 96423650 PNHBPJVJNJSDMM-NSHDSACASA-N 316.361 2.342 0 40 DEAB CO[C@@H]1CCN(CC2CC2)[C@@H]2CN(Cc3ccncc3)C[C@@H]21 96205894 QPRPFIMMKKWKRV-RCCFBDPRSA-N 301.434 2.013 0 40 DEAB CCN(CC)C(=O)C1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 96493050 LUGGENGHMFXEKS-ROUUACIJSA-N 316.445 2.225 0 40 DEAB C[C@H]1CC(C)(C)NCCCN[C@H](C)CC(C)(C)NCCCN1 68604543 SHBUHHGAGPIXDR-IYBDPMFKSA-N 312.546 2.253 0 40 DEAB COc1ccc(CN2C[C@@H](C(=O)N[C@H](C)C(C)C)CC2=O)cc1 69416355 NDEUSFBONLRLNH-HIFRSBDPSA-N 318.417 2.204 0 40 DEAB C[C@H](C(=O)N1CCC(CCc2ccccc2)CC1)S(C)(=O)=O 47797866 OTTJLQRQPFUQMI-CQSZACIVSA-N 323.458 2.291 0 40 DEAB O=C(Cc1ccc(O)cc1)N1CCN(c2ccccc2F)CC1 98079532 QYTPYMQZYBJESD-UHFFFAOYSA-N 314.360 2.423 0 40 DEAB COc1cccc(C[C@@H](CNC(=O)OC(C)(C)C)C(=O)O)c1 12648661 SUANLYCZPPNHCZ-LBPRGKRZSA-N 309.362 2.463 0 40 DEAB COc1ccccc1C(=O)NCCC(=O)N1CCC[C@H](C)C1 12876328 OENHMDDJCYVQSV-ZDUSSCGKSA-N 304.390 2.074 0 40 DEAB COc1ccccc1-c1ccccc1C[C@@H]1CNCCNC1=O 19571849 RJBYVLWQYWHAMV-OAHLLOKOSA-N 310.397 2.240 0 40 DEAB Cc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)o1 205870081 HOTLHZZEYUIAKF-XYOKQWHBSA-N 320.370 2.247 0 40 DEAB Cc1ccc(OC[C@@H]2CCN(C(=O)c3scnc3C)C2)nn1 1888853113 RPKYMCLFTNMNMZ-GFCCVEGCSA-N 318.402 2.091 0 40 DEAB Cc1cc(N2CC(Cn3cc(Cl)cn3)C2)n2nccc2n1 1889136254 OGXJRUZHHIKQEK-UHFFFAOYSA-N 302.769 2.024 0 40 DEAB Cc1sc2nc(CN3C[C@@H](C)O[C@H](C)C3)[nH]c(=O)c2c1C 25247886 CVSRRFWQJAIKOX-RKDXNWHRSA-N 307.419 2.211 0 40 DEAB COc1cc(CNCCNC(=O)C(C)C)cc(Cl)c1OC 25360072 FCVGMFWYNORIAK-UHFFFAOYSA-N 314.813 2.219 0 40 DEAB CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3nccs3)n2)C1 2037835917 JPYMFTLCHVHDDL-LLVKDONJSA-N 303.391 2.321 0 40 DEAB CN(C)[C@H]1CCOC2(CCN(C(=O)CCc3ccc[nH]3)CC2)C1 1565544181 YRWFRYJCXCLERP-INIZCTEOSA-N 319.449 2.049 0 40 DEAB CCC(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1 5339459 ODUNJLVZRMQWDA-UHFFFAOYSA-N 302.783 2.228 0 40 DEAB COc1ccc(S(=O)(=O)n2nnc3cc(C)ccc32)cc1C 1775969955 UFQKSASNHGZHLI-UHFFFAOYSA-N 317.370 2.294 0 40 DEAB CCC(=O)N1N=C(c2cccnc2)C[C@]12C(=O)Nc1ccccc12 13691784 XVBIAZBHLIIAEH-SFHVURJKSA-N 320.352 2.276 0 40 DEAB COc1cc2c(cc1CN[C@H](C)CN1CCCC1=O)O[C@@H](C)C2 40153276 HPWKUKCTWYLOFW-OLZOCXBDSA-N 318.417 2.119 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 100356984 JUPLTXLFKCSXMZ-LALPHHSUSA-N 308.403 2.112 0 40 DEAB CC(=O)N1C(=O)/C(=C2/NC(=O)SC2=S)c2ccccc21 100976923 YVVNSSIBDGDHBJ-MDZDMXLPSA-N 304.352 2.075 0 40 DEAB Cc1ccn(C(=O)[C@@H](C)S(C)(=O)=O)/c(=N/C2CCCCC2)c1 101098579 WUUAKIYWETZLHA-BVFVFODLSA-N 324.446 2.103 0 40 DEAB CN(Cc1ccsc1)C(=O)c1cccc(NS(C)(=O)=O)c1 32748206 LJFQVDRLMSRKKC-UHFFFAOYSA-N 324.427 2.392 0 40 DEAB Cc1noc(C)c1C(=O)NC[C@H](c1cccc(F)c1)N(C)C 32729434 YTGDSBYBBLKKRM-CQSZACIVSA-N 305.353 2.463 0 40 DEAB Cc1cccc(C(=O)NC[C@@H](c2ccco2)N2CCOCC2)c1 21523442 CNQOLBNYBNCCPV-INIZCTEOSA-N 314.385 2.391 0 40 DEAB CN(CC(=O)Nc1cccc2cn[nH]c12)C(=O)c1cccs1 32816537 FXQDUABQZOPPRQ-UHFFFAOYSA-N 314.370 2.335 0 40 DEAB COC(=O)N(C)CC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 41615622 CDKCIKDMGTVNJL-SFCYXTAJSA-N 308.422 2.406 0 40 DEAB Cc1nnc(NC(=O)NCC(C)(C)N2CCC[C@H](C)C2)s1 53753311 SREYPDXZCOGBKL-JTQLQIEISA-N 311.455 2.479 0 40 DEAB CC(C)(C)NC(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC(C)(C)C 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40 DEAB CNC(=O)c1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1 42902596 WVEPXBOVCHBXOU-UHFFFAOYSA-N 321.384 2.121 0 40 DEAB COc1ccccc1[C@@H](NC(=O)c1ccccn1)c1nccn1C 12114903 GDRIXIASKRDXFK-MRXNPFEDSA-N 322.368 2.343 0 40 DEAB CC(=O)N1c2ccc(NC(=O)[C@@]3(C)CCCO3)cc2C[C@H]1C 12204472 VGCXJZCRHUKGIH-PIGZYNQJSA-N 302.374 2.492 0 40 DEAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccc2c(c1)OCO2 14202873 FKLVWVUIKZMXER-UHFFFAOYSA-N 307.737 2.041 0 40 DEAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-n2cnnn2)cc1 15646287 JJUYRDAOTZWCEL-UHFFFAOYSA-N 318.340 2.325 0 40 DEAB Cc1ccc2c(c1)C(=O)N(CCC(=O)N1CCC(C)CC1)C2=O 17355564 SAGQCFAWQYAWTB-UHFFFAOYSA-N 314.385 2.240 0 40 DEAB O[C@@H]1[C@@H](CNCc2ncc[nH]2)CCC[C@H]1Oc1cccc(F)c1 643585542 RZOOBDFMXNULHZ-SRCQZFHVSA-N 319.380 2.247 0 40 DEAB CC(C)(C)[C@H]1CNC(=O)[C@H]1C(=O)N1CCC(C(F)(F)F)CC1 585149571 HOMRTEMKKKWHIB-QWRGUYRKSA-N 320.355 2.196 0 40 DEAB Cn1ccnc1[C@@H](NC(=O)c1ccccn1)c1ccccc1F 18236576 YQSWPMJJRPXTEI-HNNXBMFYSA-N 310.332 2.474 0 40 DEAB CCCCC[C@H](C)NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O 7007763 SESCMGRBUCJOFZ-IHRRRGAJSA-N 306.406 2.023 0 40 DEAB Cc1ccnc(N2CCN(c3cc(C4CCC4)ncn3)CC2)n1 1888842660 LFRIFUONAXEZQN-UHFFFAOYSA-N 310.405 2.169 0 40 DEAB CC(C)(C)c1ccc(OC[C@H]2CCN(c3cnccn3)C2)nn1 1888843246 OOYULPADZQSRNG-ZDUSSCGKSA-N 313.405 2.469 0 40 DEAB Cc1cnn(CC2CN(c3nccn4nc(C5CC5)cc34)C2)c1 1889147533 DHXWTBWQTBLCSN-UHFFFAOYSA-N 308.389 2.248 0 40 DEAB C[C@H]1CN(C(=O)CCNc2nc3ccccc3o2)C[C@@H](C)O1 52445398 FMFXEJMOEAZDAJ-TXEJJXNPSA-N 303.362 2.266 0 40 DEAB COc1ccc([C@H](CNC(=O)Nc2cc(C)on2)N(C)C)cc1 32841333 NTVFRZDOORZTSM-AWEZNQCLSA-N 318.377 2.416 0 40 DEAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)c1cccc[n+]1[O-] 53369678 VTIAVIUYMWOKTB-CYBMUJFWSA-N 302.305 2.103 0 40 DEAB COc1ccc(C(=O)NCCCn2nc(C)cc2C)c(F)c1 23246520 VXAXRGAUTVEIFB-UHFFFAOYSA-N 305.353 2.468 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 42739630 CJFMWTLEEPOEOO-UHFFFAOYSA-N 307.394 2.197 0 40 DEAB C[C@@H](NC(=O)Nc1nnc(-c2ccccn2)s1)[C@H]1CCCO1 47790950 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COc1ccc([C@H](O)CN2CC(n3nc(C)cc3C)C2)cc1 71880618 YUBSGDJKBHCXMD-QGZVFWFLSA-N 301.390 2.099 0 40 DEAB CC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(C)c(C)c2)CC1 71835108 BCPANOAHZBVTQJ-SJORKVTESA-N 300.402 2.098 0 40 DEAB C[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@@H](C)N1 70075851 RAPAPGCYMXDHGY-GHMZBOCLSA-N 300.324 2.457 0 40 DEAB COc1ccccc1NC(=O)N1CCCC[C@H]1C1OCCO1 69310328 MUKLZMWYOUSIBO-ZDUSSCGKSA-N 306.362 2.455 0 40 DEAB O=C(COC[C@@H]1CCCO1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 71903226 IYIRXFUJBIMWRG-BBWFWOEESA-N 319.401 2.298 0 40 DEAB Cc1nc2n(n1)C[C@H](NCc1c[nH]nc1-c1cccs1)CC2 69769801 BJUUALPHTVXYEG-GFCCVEGCSA-N 314.418 2.143 0 40 DEAB Cc1nc(C2CCN(CC[S@@](=O)c3ccccc3)CC2)no1 69816781 WGRWVKYUYAOLAH-QFIPXVFZSA-N 319.430 2.365 0 40 DEAB CCCCNC(=O)Cc1noc(-c2noc3c2CCCC3)n1 69875752 ZVBAPTPFOPLNGB-UHFFFAOYSA-N 304.350 2.062 0 40 DEAB Cc1nc(NC(=O)CN2CCC[C@@H]2Cn2cccn2)sc1C 69893735 FUVDFRIHLSIZQI-CYBMUJFWSA-N 319.434 2.060 0 40 DEAB Cc1ccccc1[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C1)C(C)C 69812042 PPKKXUJZLIWFDD-ZFWWWQNUSA-N 324.446 2.178 0 40 DEAB COCCN1CCN(CCCOc2ccccc2C)C[C@H]1C 69948621 IMXLVEMCHGOYIB-QGZVFWFLSA-N 306.450 2.416 0 40 DEAB CC[C@H]1C(=O)NCCN1Cc1c[nH]nc1-c1c(F)cccc1F 93049871 AOVUSRUNIRUDPN-ZDUSSCGKSA-N 320.343 2.065 0 40 DEAB O=C(Nc1cccnc1)C1CCN(c2ccc(Cl)nn2)CC1 71288813 ANMOCOGFOIYUNY-UHFFFAOYSA-N 317.780 2.380 0 40 DEAB CC[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)C1 97113893 LYGZNADTJXDVFF-CYBMUJFWSA-N 316.405 2.476 0 40 DEAB O=C(CN1CCCCCCC1=O)N1CCC([C@H]2CCCO2)CC1 97104040 VBZSNKJDDCUOKZ-MRXNPFEDSA-N 322.449 2.197 0 40 DEAB Cc1cn2c(n1)CC[C@H](NC(=O)Cc1c[nH]c3ccccc13)C2 97198601 JCZHHRKBTGXUMW-AWEZNQCLSA-N 308.385 2.347 0 40 DEAB CC(C)c1noc(-c2ccc(NC(=O)[C@H]3COCCO3)cc2)n1 76141753 BKYPSBVTLBROII-CYBMUJFWSA-N 317.345 2.214 0 40 DEAB CC(C)c1cc(NCCC(=O)N2CCOCC2)nc(C(C)C)n1 179503571 FSEZNKSXABTVLJ-UHFFFAOYSA-N 320.437 2.384 0 40 DEAB COCc1ncc(CNC(=O)c2ccc(C)cc2Cl)c(N)n1 517356945 UUDDHGWKMFJBQF-UHFFFAOYSA-N 320.780 2.097 0 40 DEAB 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Cc1ccc(N2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)nn1 96186693 ASXBPUJSYFIIHI-PMPSAXMXSA-N 303.406 2.338 0 40 DEAB O=C(c1ccco1)N1CCC2(CCC(=O)N2CC2CC2)CC1 96228120 IWGMOOCMZFLOEE-UHFFFAOYSA-N 302.374 2.287 0 40 DEAB O=C(NCC(=O)N1CCCc2cccc(O)c21)c1cccs1 97233791 ZHMKJPFRLJTKBO-UHFFFAOYSA-N 316.382 2.163 0 40 DEAB CNC[C@H]1CCCN1S(=O)(=O)c1cc(C)ccc1Cl 97234988 SNKVKCZJTXALRQ-LLVKDONJSA-N 302.827 2.021 0 40 DEAB Cc1cccc(C)c1NCC(=O)NCCc1nncn1C1CC1 96426468 CDENALISYDLKSX-UHFFFAOYSA-N 313.405 2.001 0 40 DEAB Cc1ccccc1C1CCN(C(=O)[C@@H](C)CS(C)(=O)=O)CC1 96446296 LZRKIBZEHXQRDY-AWEZNQCLSA-N 323.458 2.382 0 40 DEAB CCn1nccc1NC(=O)N1CCN(c2cccs2)CC1 331660726 NFNVHUREEBTYMA-UHFFFAOYSA-N 305.407 2.319 0 40 DEAB CN(C)[C@H]1CCN(C(=O)c2cc3c(c4ccccc4n3C)n2C)C1 96146279 PRKVVXDYGDNMKI-ZDUSSCGKSA-N 324.428 2.446 0 40 DEAB c1cnc2nc(N[C@H]3CCO[C@@]4(CCSC4)C3)ccc2n1 95426424 FVKGZNCVSOBDCE-NHYWBVRUSA-N 302.403 2.491 0 40 DEAB O=C1CC[C@@H]2[C@@H](CCN2C(=O)c2ccsc2)N1CC1CC1 248002391 RDYCISCEJPJAOC-ZIAGYGMSSA-N 304.415 2.364 0 40 DEAB Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1cnccn1 257343368 ZSRMHDBGMJDKDM-CQSZACIVSA-N 303.387 2.311 0 40 DEAB Cc1c(C(=O)N(C)[C@@H]2CCC[C@@H](O)[C@@H]2O)oc2c(F)cccc12 257271368 MYABEMBGLSOCCG-MGPQQGTHSA-N 321.348 2.227 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2c(C)noc2C)nc(C)n1 257250576 JNBYOOKKEGHPQL-CYBMUJFWSA-N 315.377 2.409 0 40 DEAB COc1cc(C)cc(NC(=O)N2CCC[C@H](C(N)=O)C2)c1C 252492963 MYJPCXITRPCYNY-LBPRGKRZSA-N 305.378 2.041 0 40 DEAB CNc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]cnc3c2)n1 257288855 PVZJZQYLOXQLKU-HNNXBMFYSA-N 322.372 2.372 0 40 DEAB CC(=O)N[C@@H](C(=O)N(C)c1nc2ccccc2s1)C(C)C 26962328 ONWDZKHUFBUDKD-CYBMUJFWSA-N 305.403 2.420 0 40 DEAB Cn1cnc2cc(C(=O)N3CCCC[C@H]3CCC(=O)O)ccc21 263454301 UETDTTSPAQUOTH-ZDUSSCGKSA-N 315.373 2.433 0 40 DEAB COC[C@@]1(CC(N)=O)CCCN1Cc1cccc2cccnc12 585277587 IXYYZZIGEHQAFQ-SFHVURJKSA-N 313.401 2.091 0 40 DEAB Cc1cc(OCC(=O)N(C)[C@@H]2CCc3ccccc3C2)no1 74606898 HREMQVBDVXGGOL-OAHLLOKOSA-N 300.358 2.378 0 40 DEAB O=C(NC1(C(=O)O)CCCC1)C1=NO[C@@H](c2ccccc2)C1 78702917 CTRUHTWGENTZHT-CYBMUJFWSA-N 302.330 2.018 0 40 DEAB CC(=O)N1CCC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 95947854 GKETZUOQCLMEJC-KRWDZBQOSA-N 300.402 2.404 0 40 DEAB Cc1ccn(CCNC(=O)c2cc(-c3cccs3)no2)n1 12199145 CWHGZIVIBFFGPV-UHFFFAOYSA-N 302.359 2.338 0 40 DEAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(C2CCCCC2)CC1 17055391 VSTZDMISMFWZQO-CVEARBPZSA-N 320.433 2.130 0 40 DEAB Cc1ccc(C2(O)CCN(CCNC(=O)[C@H]3C[C@H]3C)CC2)cc1 19208569 XHIRYQMXWMLIFV-WBVHZDCISA-N 316.445 2.051 0 40 DEAB Cc1ccc(C2(O)CCN(CCNC(=O)[C@@H]3C[C@H]3C)CC2)cc1 19208574 XHIRYQMXWMLIFV-NVXWUHKLSA-N 316.445 2.051 0 40 DEAB Cc1ccc(OC2CCN(C(=O)[C@H]3CSCN3)CC2)cc1C 154621073 KGHLQNWENBNSDO-MRXNPFEDSA-N 320.458 2.336 0 40 DEAB O=C(N[C@@H]1CC[C@@H]2OCCO[C@H]2C1)C1(c2ccc(F)cc2)CC1 245053492 OWLLJQGKJOLWEP-PMPSAXMXSA-N 319.376 2.310 0 40 DEAB O=C(CSCc1ccccc1)N[C@@H]1CC[C@@H]2OCCO[C@@H]2C1 253403029 PGZNPSMMZWPWLZ-OWCLPIDISA-N 321.442 2.373 0 40 DEAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccncc1 15095304 MFKPFSRLPQKGCB-ZDUSSCGKSA-N 307.357 2.496 0 40 DEAB O=S(=O)(NC[C@@H]1CCCO1)c1ccc(Cl)c(Cl)c1 33632806 OMVCAAVSAIZWNU-QMMMGPOBSA-N 310.202 2.451 0 40 DEAB COC(=O)c1sc(=S)n(-c2ccc3c(c2)OCO3)c1N 425189 JNGKLNILLNWYJN-UHFFFAOYSA-N 310.356 2.366 0 40 DEAB CCOc1ccccc1NC(=O)C(=O)NCc1cccs1 5251442 ZYRYOLXPMGZFBY-UHFFFAOYSA-N 304.371 2.402 0 40 DEAB CN(C)Cc1noc2c1C[C@H](NC(=O)Cc1cccs1)CC2 2055732729 VWKDYODCWUFREN-LLVKDONJSA-N 319.430 2.014 0 40 DEAB COc1ccc(C(=O)NC[C@H](O)Cc2ccccc2)cc1F 217573660 VUNQBMKWIDJNOE-CQSZACIVSA-N 303.333 2.168 0 40 DEAB O=C(/C=C/c1ccccc1)NCC1(OCCO)CCSCC1 888107209 YOLNHOPOCBEFGF-VOTSOKGWSA-N 321.442 2.091 0 40 DEAB O=C(NCc1ccccc1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 6475098 IZCXPHNJHKDKIP-JKSUJKDBSA-N 323.396 2.177 0 40 DEAB biogenic CNC(=O)c1ccc(/C=C/C(=O)N2CCn3cccc3[C@@H]2C)cc1 30260745 UZBKMRNVVYGBGD-RNVIBTMRSA-N 323.396 2.464 0 40 DEAB COc1cc2c(cc1CN[C@@H](C)Cn1cccn1)O[C@@H](C)C2 30904461 VOIANIOZHFSWHI-STQMWFEESA-N 301.390 2.393 0 40 DEAB CN(c1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1)S(C)(=O)=O 100626879 ZLZOAZPLHYXCBU-UXIGCNINSA-N 322.430 2.001 0 40 DEAB C[C@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(C)(C)C 40468822 MHWXRUFAJLOINB-VHSXEESVSA-N 305.378 2.121 0 40 DEAB COC(=O)c1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)s1 31712265 BTCZBVPEKDNLGI-ZCFIWIBFSA-N 311.281 2.441 0 40 DEAB CCCCCNC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 102168093 QXQBZGODJWVITC-UHFFFAOYSA-N 305.403 2.142 0 40 DEAB CC[C@H](Nc1cccc(C(=O)NC)c1)C(=O)Nc1cc(C)on1 32850987 RTDOFVQUVGZJFS-ZDUSSCGKSA-N 316.361 2.172 0 40 DEAB Cn1ncc2c(N[C@H]3CCCN(Cc4ccccc4)C3)ncnc21 32923561 PVAGTXUNLCUPRF-HNNXBMFYSA-N 322.416 2.440 0 40 DEAB CCOC(=O)[C@@H]1CCCN(C(=S)NCCc2ccccc2)C1 534759 AWRCHCDKBHDJPW-OAHLLOKOSA-N 320.458 2.379 0 40 DEAB O=C(NCCc1ccc(F)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 42382751 AWZRDIHHBBWZHE-OAHLLOKOSA-N 318.392 2.133 0 40 DEAB CCOc1ccc(C(=O)NCCCNc2ncccn2)cc1 42757205 ZKCMVTDFSRNPFA-UHFFFAOYSA-N 300.362 2.107 0 40 DEAB CCO[C@H]1C[C@@H](NC(=O)NCc2nccn2C)C12CCCCC2 78937013 WKTBHVOYWZAMKF-KGLIPLIRSA-N 320.437 2.347 0 40 DEAB CCOC(=O)C(CCN(C)C)(CCN(C)C)c1ccccc1 1593319 CUEIAIGRDVRBNR-UHFFFAOYSA-N 306.450 2.391 0 40 DEAB Nc1c(Br)cc(C(=O)O)c(O)c1Br 1687823 CRPATQXMNMOGAD-UHFFFAOYSA-N 310.929 2.198 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(F)cc1)C(=O)OC 2412103 XRYQPJIHJPYJLU-RISCZKNCSA-N 310.369 2.255 0 40 DEAB C[C@H]1COCCN1[C@H](C)CNc1nccc(C(F)(F)F)n1 106851686 VNIRPRSIKQGGNG-ZJUUUORDSA-N 304.316 2.017 0 40 DEAB O=C(O)CC[C@H]1CCCN(C(=O)CCOCC(F)(F)F)C1 43584102 CPUYOYYKXPLRFW-SNVBAGLBSA-N 311.300 2.059 0 40 DEAB Cc1cc(S(=O)(=O)N2CCCC[C@H]2[C@H](C)O)sc1C 108373056 OOWJLJMRSKGJBF-JQWIXIFHSA-N 303.449 2.289 0 40 DEAB COC(=O)C1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 10542205 KEIPTMPGTVTBAI-CYBMUJFWSA-N 305.374 2.174 0 40 DEAB Cc1noc(C)c1S(=O)(=O)NC1C2CC3CC(C2)CC1C3 8325252 WXBPHNZHZQCTEQ-UHFFFAOYSA-N 310.419 2.394 0 40 DEAB CN(C)C(=O)C[C@@H](NC(=O)Nc1ccncc1)c1ccccc1 58008367 OYZOOYTXBBCBMF-OAHLLOKOSA-N 312.373 2.423 0 40 DEAB CC(C)c1cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)[nH]n1 58159186 ZAGBXKVECUJKIJ-LLVKDONJSA-N 316.361 2.113 0 40 DEAB C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)N(C)C)C[C@@H](C)O1 44891261 WKHLIHQYJHDRNM-UPJWGTAASA-N 311.451 2.170 0 40 DEAB CCn1cnnc1CNC(=O)NCC[C@H](C)c1ccccc1 58245139 CQLIIEBKWKCEQS-ZDUSSCGKSA-N 301.394 2.291 0 40 DEAB CC(=O)c1ccc(C(=O)NC[C@@H]2CN(CC(C)C)CCO2)s1 28016162 XWQOYCPRTOWGKI-CYBMUJFWSA-N 324.446 2.037 0 40 DEAB CCC[C@@](C)(NC(=O)c1cc2c(C)nn(C)c2s1)C(=O)O 36338213 RZATUZIKIFRDCE-CQSZACIVSA-N 309.391 2.316 0 40 DEAB COc1ccc(CNC(=O)NCc2csc(C)n2)cc1O 45343897 GEEPOUXQRRBTEL-UHFFFAOYSA-N 307.375 2.165 0 40 DEAB COC(=O)N1[C@H]2C=CC=C[C@H]1[C@H]1C=C[C@H]2C=CN1C(=O)OC 101042608 LHTMCOCGMAIDGL-FQUUOJAGSA-N 302.330 2.068 0 40 DEAB O=C(COC(=O)/C=C/c1ccccc1Cl)NC[C@H]1CCCO1 3288531 AJCQBBHYQSRAGT-SBDDDAINSA-N 323.776 2.192 0 40 DEAB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccccn3)cn2)n1 46310409 ZPLJYXHNAGBMIW-UHFFFAOYSA-N 307.357 2.209 0 40 DEAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc2c(s1)CCC2 46562743 ZSUHUJIONOHMAC-UHFFFAOYSA-N 315.354 2.178 0 40 DEAB COCCOc1ccc(CNC(=N)Nc2ccccc2)cn1 58245871 RAUSEQSOIKRBBW-UHFFFAOYSA-N 300.362 2.243 0 40 DEAB CCn1cc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C)n1 2809642 IJVYRDWVDMMOCE-DRZSPHRISA-N 307.394 2.280 0 40 DEAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)c1 100616358 ZOHDOFBGGUXZSD-YDMUCJKGSA-N 317.385 2.359 0 40 DEAB CCn1nc(C)c(-c2cc(C(=O)O)c3c(C)nn(C)c3n2)c1C 12394563 JSZDMZGBKBAFFI-UHFFFAOYSA-N 313.361 2.475 0 40 DEAB CNC(=O)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 12766772 DJOOEYNSEGXTNI-UHFFFAOYSA-N 314.307 2.304 0 40 DEAB Cc1noc(C)c1CC(=O)NC[C@@H](O)c1cccc(Cl)c1 48333252 FUVWVJCQUZJNFZ-CQSZACIVSA-N 308.765 2.337 0 40 DEAB O=C1OC[C@@H]2[C@H]1N(Cc1ccccc1)C(=O)N2Cc1ccccc1 22056829 FGFSEMWCZBVRHG-IAGOWNOFSA-N 322.364 2.418 0 40 DEAB CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 13590431 GBMYTZNKLNKKGA-TXEJJXNPSA-N 310.419 2.312 0 40 DEAB COCc1nnc(NC(=O)Cc2cn(C)c3ccccc23)s1 49750090 GAMCYGMITIQSIM-UHFFFAOYSA-N 316.386 2.357 0 40 DEAB Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCCCCC1 6060110 CZFGQCZCITXHQK-UHFFFAOYSA-N 310.781 2.482 0 40 DEAB NC(=O)c1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 6290004 KJHFDPRUMZQFBE-KRWDZBQOSA-N 324.380 2.358 0 40 DEAB Cc1cc(NC(=O)NCCc2nc3c(s2)CCCC3)n(C)n1 65548870 HFJVQLIWDNXZLQ-UHFFFAOYSA-N 319.434 2.428 0 40 DEAB CC(=O)Nc1cccc(Cn2c(C)nn(C(C)(C)C)c2=O)c1 95468073 VEQKWWOCWOOLQE-UHFFFAOYSA-N 302.378 2.115 0 40 DEAB CN(C(=O)NCC1CCC1)C1CCN(c2ccccn2)CC1 66185788 DFOQXCKXTGGUKT-UHFFFAOYSA-N 302.422 2.492 0 40 DEAB COc1cc(C)cc(CNC(=O)[C@@H](C)N2CCSCC2)c1 95434395 HIMIRBMAMPOOFI-CYBMUJFWSA-N 308.447 2.057 0 40 DEAB O=C1NC(c2ccccc2)=N[C@@]1(Nc1ccccn1)C(F)(F)F 19857048 SQLXWSHWQKJQLR-CQSZACIVSA-N 320.274 2.329 0 40 DEAB O=C(OCC(=O)N1CCCCCCC1)c1cn2ccccc2n1 7153634 GRTXUZBMYLISJP-UHFFFAOYSA-N 315.373 2.284 0 40 DEAB COC(=O)CC(C)(C)CC(=O)N1CCC(n2cccn2)CC1 96492952 JDZRARVTVSFSLN-UHFFFAOYSA-N 307.394 2.026 0 40 DEAB c1ccc(CN2CCC[C@H]2[C@@H]2CCCN2CC2OCCO2)cc1 96495492 CCGSCZDECCVOGO-ROUUACIJSA-N 316.445 2.488 0 40 DEAB O=C(Cn1nc(C(F)(F)F)ccc1=O)Nc1ccc(F)cc1 96484292 GFGYRDWOUVFSOG-UHFFFAOYSA-N 315.226 2.040 0 40 DEAB COCc1cc(N[C@H](CCO)C2CCCCC2)n2ncnc2n1 96429517 HIEUVXNJTUGUQO-CQSZACIVSA-N 319.409 2.014 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)N1C[C@@H](C)C[C@H](C)C1 7389527 JLPAJJMKGKKJPD-STQMWFEESA-N 313.401 2.209 0 40 DEAB CO[C@H](C(=O)N[C@H]1CCN(c2ccccc2)C1=O)c1ccccc1 68202585 PZGHQQBZRRGPJZ-IRXDYDNUSA-N 324.380 2.296 0 40 DEAB CN(Cc1nnsc1Cl)[C@@H]1CCN(c2ccccc2)C1=O 71893026 PXAAYNPPTPCWBY-GFCCVEGCSA-N 322.821 2.429 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)c1 71866854 BOVOCSSHTXTJNY-RDJZCZTQSA-N 311.385 2.186 0 40 DEAB C[C@@H](O)[C@H]1CCN(C(=O)NCCCc2cc(F)cc(F)c2)C1 96502557 ZCQNDHYWSJIMOS-YPMHNXCESA-N 312.360 2.310 0 40 DEAB Cc1cc(NC(=O)CSc2nc3sccc3c(=O)[nH]2)no1 8456656 VKWOEKZGFWNFPK-UHFFFAOYSA-N 322.371 2.012 0 40 DEAB COc1ccc(F)cc1CN1CCCC[C@H]1Cn1cncn1 69528282 XLBUEVPSEWMFQU-HNNXBMFYSA-N 304.369 2.481 0 40 DEAB CC[C@H](OC1CCCC1)C(=O)NC[C@H](O)Cc1ccccc1 71904801 NXGRGEYWIWCYGP-WBVHZDCISA-N 305.418 2.444 0 40 DEAB C[C@H](Cc1ccccc1Cl)C(=O)N(C)CCS(C)(=O)=O 95435941 HNYJYIPAGBSZDG-LLVKDONJSA-N 317.838 2.022 0 40 DEAB CCn1nnc2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)ccc21 69708290 MBUSQCNIYVPBOE-OAHLLOKOSA-N 324.388 2.162 0 40 DEAB CC(C)CN(C[C@H](O)c1ccccc1)C(=O)c1nccn1C 95407845 PRXUDHHJCOTZMN-HNNXBMFYSA-N 301.390 2.252 0 40 DEAB O=C1c2cccn2[C@@H]2CN(CC3CC3)C[C@H]2N1Cc1ccccn1 306144904 ZRXGLSYBIKUZQH-QZTJIDSGSA-N 322.412 2.174 0 40 DEAB Cc1noc(C2CN(C(=O)CSc3ccc(F)cc3)C2)n1 49482476 QMDUTFHWHPKLQC-UHFFFAOYSA-N 307.350 2.235 0 40 DEAB CN(C)c1ncncc1NC(=O)NCc1cc(F)ccc1F 97083107 DKKVZNGNAWQDBM-UHFFFAOYSA-N 307.304 2.143 0 40 DEAB Cc1cnc(CCNC(=O)N[C@@H](CO)c2ccccc2)s1 84259512 QPCZQXYXGHAGOW-ZDUSSCGKSA-N 305.403 2.027 0 40 DEAB CC(C)CCc1n[nH]c(C(=O)O)c1I 72324036 WNHMDMBQOCAODP-UHFFFAOYSA-N 308.119 2.301 0 40 DEAB O=C(NCc1ccoc1)[C@H]1CCCCN1C(=O)c1ccco1 84429396 DLNIUFVFYFTPBY-CYBMUJFWSA-N 302.330 2.184 0 40 DEAB O=C(OCC(=O)N1CCCCCC1)c1cc(-c2ccco2)[nH]n1 89797938 WHFRLBASQIOJSF-UHFFFAOYSA-N 317.345 2.229 0 40 DEAB COc1ccc(CCN2CCN([C@H]3CCCC[C@H]3O)CC2)cc1 89888542 MKBIIAGOBMBNHS-RBUKOAKNSA-N 318.461 2.159 0 40 DEAB O=C(O)c1cc(S(=O)(=O)Nc2cc(F)ccc2Cl)c[nH]1 75582591 CZJCBARQASGIRF-UHFFFAOYSA-N 318.713 2.306 0 40 DEAB COc1cccc(O[C@@H](C)C(=O)NCCCN2CCCC2)c1 20483161 ISDNVSHECBOUDK-AWEZNQCLSA-N 306.406 2.065 0 40 DEAB CCC1(CNC(=O)N2CC[C@H](N3CCOCC3)C2)CCCC1 127930507 UVPINVIYBYMSMM-HNNXBMFYSA-N 309.454 2.073 0 40 DEAB CC(C)C(=O)N1CC2(C1)OCC[C@H]2CCOc1ccccn1 306142575 XDTTZWZPFDIKLM-CQSZACIVSA-N 304.390 2.124 0 40 DEAB Cc1ccc(CNC(=O)c2ccccc2N2CCOCC2)n1C 79042697 YGVMBHMIKWIIHF-UHFFFAOYSA-N 313.401 2.100 0 40 DEAB CCCCNc1ccc(S(=O)(=O)NCCC)cc1C(=O)O 217541526 BHZKTKRRMIHLMC-UHFFFAOYSA-N 314.407 2.285 0 40 DEAB CO[C@@H]1CCC[C@@H]1OC(=O)CN1C(=O)CSc2ccccc21 78985346 NKIVRMBHWTYBQQ-OLZOCXBDSA-N 321.398 2.236 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@](C)(C(=O)NCc1cccs1)O2 40779211 WQRMUNUPLVSBCL-INIZCTEOSA-N 316.382 2.463 0 40 DEAB COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cc(C)no2)c1 188358677 SXDKNWMZRLPBIX-HIFRSBDPSA-N 316.357 2.420 0 40 DEAB Cn1c(-c2nccnc2N)nc2cc(Br)ccc21 63216000 WMNLYXRVDIJTMR-UHFFFAOYSA-N 304.151 2.375 0 40 DEAB Cc1nnc(NC(=O)N2CCN(c3ccccc3F)CC2)s1 43407774 IHUYVYZPYMOYGL-UHFFFAOYSA-N 321.381 2.340 0 40 DEAB Cc1nc(CC(=O)N[C@H]2CCCN(c3ccccn3)C2)cs1 131083243 HBPONPHAYFCEPG-ZDUSSCGKSA-N 316.430 2.174 0 40 DEAB COc1ccc(CNC(=S)Nc2nc(C)cc(OC)n2)cc1 225932036 ABPXZCPAXLAEEH-UHFFFAOYSA-N 318.402 2.289 0 40 DEAB CCCCC(=O)N1C(=O)[C@H]2CCCN2C(=O)c2ccccc21 40386060 IDSBZQVBSWBMDG-CQSZACIVSA-N 300.358 2.355 0 40 DEAB OCc1ccc(CN[C@H]2CCN(c3c(F)cccc3F)C2)o1 88755528 BYKROKKZBPIRSM-NSHDSACASA-N 308.328 2.419 0 40 DEAB Cc1ncsc1C(=O)N1CCSC[C@@H]1c1cnn(C)c1 191994973 JKPQOTBZOZHNMW-LLVKDONJSA-N 308.432 2.115 0 40 DEAB Cn1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)cn1 96057906 QEHLWSWTUXKIEH-RCCFBDPRSA-N 319.449 2.359 0 40 DEAB CN(C)[C@@H]1CCO[C@]2(CCN(C(=O)/C=C/c3cccs3)C2)C1 96215265 XEHUWPGAWHJXOZ-SCYVGKGRSA-N 320.458 2.473 0 40 DEAB Cc1cnc(N2CCC3(CC2)C[C@@H]3C(=O)NC2CCC2)nc1 96227814 VZQWHOISYHMLPV-CQSZACIVSA-N 300.406 2.060 0 40 DEAB CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C(=O)O 90636331 XQJFVIAIJBWDBL-KGLIPLIRSA-N 320.389 2.096 0 40 DEAB Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCN3CC2CCOCC2)o1 96184460 JIZKPCHELZUOGG-JKSUJKDBSA-N 318.417 2.303 0 40 DEAB COCCN1CCOC[C@]2(CCCN(Cc3cccs3)C2)C1 96049455 SSJAKBHHDFLBNL-QGZVFWFLSA-N 324.490 2.309 0 40 DEAB CN1CCN(C(=O)c2cc(O)nc(C3CC3)n2)c2ccccc2C1 578784301 HJFXYMSTPDPIMU-UHFFFAOYSA-N 324.384 2.152 0 40 DEAB Cc1cnc(N[C@@H]2CCO[C@]3(CCN(CC4CC4)C3)C2)nc1 96208661 ZJEJMNCLFZJOKA-NVXWUHKLSA-N 302.422 2.230 0 40 DEAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Nc1cccn(C)c1=O 92736232 XLKTWDAXGGOLDD-CYBMUJFWSA-N 315.377 2.094 0 40 DEAB Cc1c(F)cccc1S(=O)(=O)NCC(C)(C)C[C@@H](C)O 96502232 RXWARPWEONYCPR-SNVBAGLBSA-N 303.399 2.210 0 40 DEAB Cn1cccc1[C@H]1COCCN1Cc1ncn(-c2ccccc2)n1 97103532 XJPIMVQMHRXFOF-QGZVFWFLSA-N 323.400 2.179 0 40 DEAB CCn1cc(N2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cn1 96101474 NIZWZHWMGQPUJZ-ZDUSSCGKSA-N 312.373 2.203 0 40 DEAB CSc1cncc(N[C@H]2CCN(C(=O)C3CCCC3)C2)n1 97095881 MUNXKXCMBIVMDG-LBPRGKRZSA-N 306.435 2.402 0 40 DEAB Cc1cnc(SC[C@@H](O)CN2CCc3ccccc3C2)nc1 95442887 CGXJWDOADFGHCU-INIZCTEOSA-N 315.442 2.296 0 40 DEAB CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)[nH]c2=O)C1(CC)CC 96454643 VGPHWKKGOGRYKY-ZIAGYGMSSA-N 306.406 2.397 0 40 DEAB C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](C)CN1CCOC1=O 97212924 BWNOGMGIYFPJRX-LMMOQWNQSA-N 306.337 2.186 0 40 DEAB CN1C(=O)C2(CCN(Cc3cnn(C)c3)CC2)[C@H]1c1ccccc1 96080433 SWWOMQLMMIBPCT-QGZVFWFLSA-N 324.428 2.216 0 40 DEAB CCO[C@@H]1CN(C(=O)c2ccc(OC)cc2)[C@@H]2CCCO[C@H]12 96042345 WDOXXBRYAWIGNS-OAGGEKHMSA-N 305.374 2.104 0 40 DEAB Cc1cncc(C(=O)N2CC[C@]3(CCC[C@H](CN(C)C)O3)C2)c1 96209204 BZJSHTBRHACHQV-SJLPKXTDSA-N 317.433 2.105 0 40 DEAB CCOCC[C@@H]1CN(Cc2cccnc2OC)Cc2ccnn21 247846155 MUWOSMZJADVAEQ-MRXNPFEDSA-N 316.405 2.270 0 40 DEAB Cn1nc([C@H]2CNCCO2)cc1CCOc1ccc(Cl)cc1 257235887 GZZGFPQYNMTQLH-MRXNPFEDSA-N 321.808 2.356 0 40 DEAB O=C(c1cccc2ccccc12)N1CCN(C[C@@H](O)C2CC2)CC1 85436642 UWORKXQVFMKCIQ-LJQANCHMSA-N 324.424 2.369 0 40 DEAB Cc1cc(N(C)C)cc([C@@H]2CN(Cc3cscn3)CCO2)n1 257289719 PZWSIYPHFAVOLR-INIZCTEOSA-N 318.446 2.486 0 40 DEAB CCc1nccn1CC(=O)N1CCC[C@@H](c2nccs2)C1 257238224 HKBGKBWKJXMCML-GFCCVEGCSA-N 304.419 2.308 0 40 DEAB COc1cc(CCC(=O)N2CCC[C@H](c3nc(C)c[nH]3)C2)on1 257256081 KKAIQVGVGMCJDS-LBPRGKRZSA-N 318.377 2.054 0 40 DEAB O=C(O)COc1ccc(NC(=O)[C@@H]2CCCOC2)cc1Cl 262169455 WDLBHIMUKBRULB-SECBINFHSA-N 313.737 2.169 0 40 DEAB O=C(Cc1cccs1)NCCc1csc(-n2cccn2)n1 90609470 DNQRJTHADFXMNX-UHFFFAOYSA-N 318.427 2.292 0 40 DEAB O=C(N[C@H]1CCc2ccccc21)c1csc(-c2nc[nH]n2)n1 69520169 UNWZKKNFYQOVBP-NSHDSACASA-N 311.370 2.346 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3nnc(C(C)C)o3)C2)n1 69820192 XCQZKCNQCLMANO-CQSZACIVSA-N 318.425 2.314 0 40 DEAB O=C(NCc1ccc(Br)s1)[C@@H]1CCCCN1 38018764 FVVIVUCLKQNUDA-VIFPVBQESA-N 303.225 2.269 0 40 DEAB O=C(NCc1ccc(OCc2ccccn2)cc1)c1cnccn1 55649601 QZIBLSRRQKSDFZ-UHFFFAOYSA-N 320.352 2.381 0 40 DEAB CCc1nn(C)c2[nH]nc(NC(=O)[C@@H](OC)c3ccccc3)c12 75094269 CZYQHROIQCCNMN-ZDUSSCGKSA-N 313.361 2.185 0 40 DEAB C[C@@H](NC[C@H]1CCCS1(=O)=O)c1cc(F)c(F)c(F)c1 90468346 NLTIIIHQYDKNRH-PSASIEDQSA-N 307.337 2.332 0 40 DEAB O=C(c1cccc(-n2cccc2)c1)N1CCCC2(C1)OCCO2 95443549 NYDPGIKHJWDIGY-UHFFFAOYSA-N 312.369 2.456 0 40 DEAB CN1C[C@@H](C(=O)Nc2nccs2)[C@@H]2COc3ccccc3[C@@H]21 1772595720 KSCNDQYJEWDIGU-DYEKYZERSA-N 315.398 2.393 0 40 DEAB COC(=O)CN1C(=O)/C(=C/c2ccccc2OC)SC1=S 8169062 COVXMUAUTULKPI-XFFZJAGNSA-N 323.395 2.069 0 40 DEAB O=C(NCCSc1ccccn1)[C@H]1COc2ccccc2O1 5014932 IYPGLHFKXYQYRJ-CQSZACIVSA-N 316.382 2.130 0 40 DEAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2cc[n+]([O-])cc2)cc1 5962284 KSOMYUSKIQZHAR-LBPRGKRZSA-N 315.325 2.147 0 40 DEAB Cn1ccnc1C1(O)CCN(C(=O)Nc2ccc(F)cc2)CC1 12144591 YTZMKEJTLCVISV-UHFFFAOYSA-N 318.352 2.075 0 40 DEAB COc1cc(C)ccc1OCC(=O)NC1(C(=O)O)CCCCC1 13168453 ODLHGKGRFWWTRW-UHFFFAOYSA-N 321.373 2.286 0 40 DEAB Cc1c(NC(=O)Cc2ccccc2F)cccc1-n1cnnn1 3437596 MGOBGXZSWGJYAT-UHFFFAOYSA-N 311.320 2.291 0 40 DEAB Cc1ccc(NC(=O)CSc2nnc(N)n2C)cc1Cl 28047535 PGDZXOLAXOKHKK-UHFFFAOYSA-N 311.798 2.090 0 40 DEAB CCSc1ccccc1C(=O)N1C[C@H](OC)C[C@@H]1C(=O)OC 225631978 AFWQXJBUUNLVTN-DGCLKSJQSA-N 323.414 2.201 0 40 DEAB COC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 44451790 ZBCVPCJLHQKTGE-UHFFFAOYSA-N 307.774 2.279 0 40 DEAB O=C(c1ccc(Cl)c(Cl)c1)N1C[C@H]2C[C@H]1CS2(=O)=O 575616289 MWAVPFWQUJHEFR-DTWKUNHWSA-N 320.197 2.005 0 40 DEAB Cc1noc(C)c1CN1CCN(C(=O)N2CCCCC2)CC1 40487892 YNUNPRGMHQDCQC-UHFFFAOYSA-N 306.410 2.015 0 40 DEAB C[C@]1(c2cccs2)NC(=O)N(C[C@H](O)c2ccccc2)C1=O 40477484 NHDCNZUANFYQGH-BLLLJJGKSA-N 316.382 2.249 0 40 DEAB CC[C@H](Oc1ccccc1)C(=O)N(C)Cc1nnc2n1CCC2 40523014 IZYVJIOFYFFZHS-AWEZNQCLSA-N 314.389 2.040 0 40 DEAB Cc1cc(=O)n2nc(CN3CCc4sccc4C3)sc2n1 21419809 AWCLQOVZVGGXSC-UHFFFAOYSA-N 318.427 2.079 0 40 DEAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cn2ccccc2n1 32978459 USGDKXOBDUZCRK-UHFFFAOYSA-N 323.352 2.378 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)CCc2c(C)noc2C)cc1 41466970 IZLDFOYXVGUJBP-INIZCTEOSA-N 302.374 2.382 0 40 DEAB CCN(CC)[C@H](CNC(=O)c1ccc[nH]c1=O)c1ccccc1 22752796 NCJUHRXIBDYPDL-MRXNPFEDSA-N 313.401 2.188 0 40 DEAB COCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1 23054852 UDFKQYSTRJDFTC-UHFFFAOYSA-N 312.369 2.244 0 40 DEAB COc1ccc(OC)c(/C=C2\SC(=O)N(CN(C)C)C2=O)c1 33932429 DDIKAWRIKGCHLD-JYRVWZFOSA-N 322.386 2.259 0 40 DEAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(N)=O)n12 416380 BTYGVVMJRIQDAK-UHFFFAOYSA-N 300.387 2.385 0 40 DEAB CCCOc1cc(C)ccc1N[C@@H](C)C(=O)NC(=O)NCC 55154174 XFCRLSFJFOJLQH-LBPRGKRZSA-N 307.394 2.430 0 40 DEAB O=C(NCCn1ccnc1)N1CC=C(c2ccc(O)cc2)CC1 43310616 ACAFBQHOUOYDJA-UHFFFAOYSA-N 312.373 2.088 0 40 DEAB O=S(=O)(Nc1cccn2ncnc12)c1ccccc1Cl 1385387 KPUSVGQYRUVHRN-UHFFFAOYSA-N 308.750 2.184 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(C=O)cc1 3386109 YPAZQSLJIXJETN-WFASDCNBSA-N 303.358 2.351 0 40 DEAB CC(C)C(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 25244696 XJZGYVCJZDMBOL-UHFFFAOYSA-N 300.358 2.373 0 40 DEAB COC(=O)c1ccc(NCc2nnnn2-c2ccccc2)c(C)c1 55832303 LZUNDEZIFBORMZ-UHFFFAOYSA-N 323.356 2.369 0 40 DEAB CC(=O)Nc1ccc(SCC(=O)NCc2cccnc2)cc1 12543686 YHLCOXFYKWWZKM-UHFFFAOYSA-N 315.398 2.449 0 40 DEAB Cc1cc(F)c(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@H]2O3)cc1F 108110115 VLSFFIJJFGZWCP-OPQQBVKSSA-N 317.357 2.119 0 40 DEAB Cc1ccccc1-n1nc2c(c1NC(=O)C1CC1)C[S@@](=O)C2 8553345 OVHNWRVFTUEJNJ-QFIPXVFZSA-N 315.398 2.292 0 40 DEAB O=C(N[C@H]1CCC[C@@H]1CO)N[C@@H]1CCCN(c2ccccc2)C1 108352699 IUNGUEJAGRQZOQ-INMHGKMJSA-N 317.433 2.116 0 40 DEAB Cc1ccc(C)c(S(=O)(=O)n2ncc3ccccc3c2=O)c1 57991753 PZQZQWXSRSAOFL-UHFFFAOYSA-N 314.366 2.250 0 40 DEAB COC(=O)c1ccc(NC(=O)NCCN2CCC(C)CC2)cc1 48004890 HIGUGIZYQNWMPN-UHFFFAOYSA-N 319.405 2.327 0 40 DEAB C[C@H](NC(=O)COc1ccccc1C(N)=O)[C@@H]1C[C@H]2CC[C@H]1C2 105754217 CNQDPAXAZLCNGI-ABHRYQDASA-N 316.401 2.105 0 40 DEAB NCC(=O)N[C@@H]1CCCC[C@H]1N(Cc1ccccc1)C1CC1 100337137 VHONRWKVLKYBPO-IAGOWNOFSA-N 301.434 2.037 0 40 DEAB O=C(Nc1nc[nH]n1)[C@@H]1C[C@@H]1c1ccc(Br)cc1 58202830 NUVOCUCZODCAQA-NXEZZACHSA-N 307.151 2.309 0 40 DEAB CCCc1noc([C@@H](C)N2CCN(C(=O)N(CC)CC)CC2)n1 44937729 FIWHPSWUSZGXDB-CYBMUJFWSA-N 323.441 2.163 0 40 DEAB Cc1nc(-c2cccc(N3C[C@H](C(=O)O)CC3=O)c2)oc1C 44979149 VEMPSDSNKJPIEU-GFCCVEGCSA-N 300.314 2.396 0 40 DEAB O=C1[C@@H]2CCCN2C(=O)N1CCCOCCc1ccccc1 84529177 GUNQLMISZKQJKT-HNNXBMFYSA-N 302.374 2.062 0 40 DEAB CN1C[C@H](Nc2nc(-c3ccccn3)nc3c2CCC3)CCC1=O 95399251 CMDQCIUSBXZLJV-GFCCVEGCSA-N 323.400 2.060 0 40 DEAB COC[C@H](C)NC(=O)CSc1nccn1-c1ccccc1C 10881222 JQRWCHRLFQNSBM-ZDUSSCGKSA-N 319.430 2.424 0 40 DEAB O=C(CC[C@H]1CCCO1)Nc1cc(C(F)(F)F)c[nH]c1=O 45839034 WDKBTMZVTLUZTE-SECBINFHSA-N 304.268 2.291 0 40 DEAB Cc1nccn1-c1cc(CNC(=O)CC[C@H]2CCCO2)ccn1 47014519 DQJCKNDYUKWMLQ-OAHLLOKOSA-N 314.389 2.151 0 40 DEAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)Cn2ccnc2)cc1F 48176743 GPMJNEJSPBBPDZ-VXGBXAGGSA-N 320.368 2.480 0 40 DEAB O=C(NCc1ccccc1)[C@@H]1CCCN(C(=O)N2CCCC2)C1 48273798 GOQDSZAILYQXKF-MRXNPFEDSA-N 315.417 2.231 0 40 DEAB c1cnc(N2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)nc1 107711955 RWYSRZDQWZHQTI-RDJZCZTQSA-N 303.406 2.279 0 40 DEAB O=C(NCc1ccccc1CN1CCC[C@H]1CO)C1CC=CC1 96007051 DUXDIXQHWMUYOB-SFHVURJKSA-N 314.429 2.226 0 40 DEAB C[C@@H](Nc1ccc2nncn2n1)c1ccc2c(c1)CCC(=O)N2 48345567 KGQVLUVRRPYKHG-SNVBAGLBSA-N 308.345 2.182 0 40 DEAB CCS(=O)(=O)N1CCC(Nc2nc3ccccc3o2)CC1 12813052 KRKULZCMQYBTLI-UHFFFAOYSA-N 309.391 2.054 0 40 DEAB COC(=O)COc1c(F)cc(Br)cc1C(C)=O 96009555 RYFZYHXZMCYXHG-UHFFFAOYSA-N 305.099 2.343 0 40 DEAB CC(C)SCC(=O)NC1CCN(C(=O)c2ccoc2)CC1 23130585 QRAFGNMMTGFYED-UHFFFAOYSA-N 310.419 2.142 0 40 DEAB Cc1ccc(O)c(CN[C@H](C[S@](C)=O)c2ccccc2)n1 97058950 XYHKAHAILRIWSA-QVKFZJNVSA-N 304.415 2.305 0 40 DEAB CN1CCO[C@H](CNCc2cccc(OCC(F)(F)F)c2)C1 65624435 XZWYLKKXGRJOCN-CQSZACIVSA-N 318.339 2.048 0 40 DEAB CCN(CC)C(=O)c1cccc(NC(=O)NC[C@](C)(O)CC)c1 66158316 GPYRDNDVFPJLHA-QGZVFWFLSA-N 321.421 2.451 0 40 DEAB COc1cccc(C(=O)N2CCN(C3CCCC3)CC2)c1OC 4745892 JJNNRZFIBMFGFN-UHFFFAOYSA-N 318.417 2.404 0 40 DEAB C[C@H](OCC(F)(F)F)C(=O)N(Cc1ccccc1)C[C@@H](C)O 72295013 TYTKNCFPMXUBMA-NEPJUHHUSA-N 319.323 2.363 0 40 DEAB OCC[C@@H]1CSCCN1c1ncnc2cc(F)c(F)cc12 84338827 LRGMQPQSPCVBEQ-SECBINFHSA-N 311.357 2.212 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(F)c1 15314172 DJDGHSQLUYRHSO-RYUDHWBXSA-N 318.348 2.248 0 40 DEAB CN(C)c1ccc(C(=O)N2CCCC[C@@H]2c2nccs2)nn1 72285821 IHUDMALIXDEBPQ-GFCCVEGCSA-N 317.418 2.367 0 40 DEAB CCNC(=O)[C@H](C)OC(=O)c1oc2ccccc2c1COC 7184208 JCIFVBQBJWPZAP-JTQLQIEISA-N 305.330 2.261 0 40 DEAB CCNC(=O)CN(C)C(=O)c1sc2nc(C)cc(C)c2c1C 80362282 ONLFCOHTIUOYAC-UHFFFAOYSA-N 319.430 2.430 0 40 DEAB CCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N=CN2CCC 15867481 HVKIHQPSQJAWIB-UHFFFAOYSA-N 323.418 2.164 0 40 DEAB C[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)[C@@H]1CCOC1 96486832 XKTYXOHCKQAMTB-ZYHUDNBSSA-N 303.337 2.371 0 40 DEAB CCOc1ncccc1CNC(=O)N1C[C@H](C)OC(C)(C)C1 68547880 WAQPNWVYXOQYAR-LBPRGKRZSA-N 307.394 2.189 0 40 DEAB Cc1cccc(-c2noc(CN(C)CC(=O)N3CCCC3)n2)c1 29709741 AFCRSESWNLQBBP-UHFFFAOYSA-N 314.389 2.099 0 40 DEAB CCc1nc(N2CCCC[C@H]2CC(N)=O)c2ccsc2n1 91017002 BKFXWWPUPUNIJX-JTQLQIEISA-N 304.419 2.488 0 40 DEAB NC(=O)[C@H]1CCCN(c2ncnc3sc4c(c23)CCCC4)C1 8063869 IZQBFHBAYMJJEU-JTQLQIEISA-N 316.430 2.272 0 40 DEAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCOCC(F)(F)F 71880527 PYONVGDAGYNYTG-OLZOCXBDSA-N 308.344 2.041 0 40 DEAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cn3c(C)cccc3n2)c1 70004146 STNIWAITLCUGNQ-OAHLLOKOSA-N 323.400 2.452 0 40 DEAB CCNC(=O)[C@@H](C)N[C@H](C)CC(=O)Nc1ccc(Cl)cc1 8328517 CFYIORFWSJOTBA-GHMZBOCLSA-N 311.813 2.171 0 40 DEAB CNC(=O)CCCC(=O)Nc1ccc(Br)cc1O 97102940 SGBARZUMYRMKRO-UHFFFAOYSA-N 315.167 2.010 0 40 DEAB CNC(=O)[C@H]1CCCN1Cc1csc(Cc2ccccc2)n1 69567728 LYYWWQVHMIAWJQ-OAHLLOKOSA-N 315.442 2.444 0 40 DEAB CCc1nc(CN2C(=O)[C@H](C)N(c3ccc(F)cc3)C2=O)no1 69592122 QWEHRAIXGZCIKB-VIFPVBQESA-N 318.308 2.128 0 40 DEAB O=C(CCN1CCN(Cc2cccc(Cl)c2)CC1)N1CCC1 69630275 TUTCGRJXUWLTAR-UHFFFAOYSA-N 321.852 2.080 0 40 DEAB Cc1ncc(Cl)c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)n1 71916793 INTLEBLZIURXOB-WDEREUQCSA-N 310.829 2.289 0 40 DEAB CN(CC(=O)Nc1cc(F)cc(F)c1)c1ncnc2[nH]ccc12 69780406 MYWJQMJQZCUEBF-UHFFFAOYSA-N 317.299 2.311 0 40 DEAB Cc1ccc(NC2CCN(C(=O)c3csc(C)n3)CC2)nn1 69896150 SABURXKEIDKEKK-UHFFFAOYSA-N 317.418 2.267 0 40 DEAB COc1ccc(NC(C)=O)cc1NC(=O)CCn1cccc1 72798091 MYOJNQAOPYISDT-UHFFFAOYSA-N 301.346 2.484 0 40 DEAB O=C(CCn1ccc2ccccc21)NC[C@@]1(O)CCSC1 72310443 MFNAUKAJYHFXPU-INIZCTEOSA-N 304.415 2.016 0 40 DEAB O=C(O)[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1 19256597 KQUIRMJIPNJVOH-NSHDSACASA-N 312.163 2.067 0 40 DEAB C[C@@H]1CN(CCC2CCN(C[C@@H]3CCOC3)CC2)C[C@@H](C)O1 89930309 BKADSUXQNCKAFZ-NUJGCVRESA-N 310.482 2.234 0 40 DEAB COCCn1nnnc1[C@H](c1cccs1)N1CCCCCC1 20098569 XORFODNKZDWAST-AWEZNQCLSA-N 321.450 2.346 0 40 DEAB Cc1nc2ccc(O)cc2cc1C(=O)NCCC(C)(C)CO 1548712364 OBVIKYFPSGWCEH-UHFFFAOYSA-N 302.374 2.387 0 40 DEAB C[C@@]1(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)C[C@H]2CC[C@H]1C2 1551748941 SQMDBJNRHTZODW-NXJYUQPGSA-N 321.461 2.186 0 40 DEAB C[C@H](Cn1cc(Cl)cn1)C(=O)NCCc1ccc(O)cc1 32610834 XONBQXVDLPRRDS-LLVKDONJSA-N 307.781 2.237 0 40 DEAB Cc1sc(-n2cnnn2)c(C(=O)Nc2ccc(O)cc2)c1C 524734406 BTLHOOMGXUSXQP-UHFFFAOYSA-N 315.358 2.299 0 40 DEAB CCc1cc(N2CCN(C)CC2)n2nc3nc(C)cc(C)c3c2n1 72347823 LYJTWKZFPPMVMO-UHFFFAOYSA-N 324.432 2.209 0 40 DEAB CC1(C)[C@@H]2CC[C@@]13CS(=O)(=O)N(C(=O)c1ccoc1)[C@@H]3C2 183813763 ABFAFGXHDINWJT-JMSVASOKSA-N 309.387 2.260 0 40 DEAB O=C(Cn1cccn1)N[C@@H](CN1CCCCC1)c1ccccc1 36752336 WDAMDHWUZOZIDS-KRWDZBQOSA-N 312.417 2.227 0 40 DEAB CC(=O)N1CCC[C@@H]1c1cccc(C(=O)Nc2nccs2)n1 72379322 PNVKQVORBFJKTL-CYBMUJFWSA-N 316.386 2.474 0 40 DEAB Cc1ccc2cnn(CCCNC(=O)CCCC(=O)O)c2c1 71196039 BMMGMWKVIMBKKH-UHFFFAOYSA-N 303.362 2.106 0 40 DEAB CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2)C[C@@H]1C(=O)O 74941234 KPPLFHVNHIHGFM-CYBMUJFWSA-N 324.352 2.336 0 40 DEAB O=C(Cc1cccs1)NC[C@H](O)c1ccc2c(c1)CCO2 85558923 HIMYYSYISZXFJB-AWEZNQCLSA-N 303.383 2.075 0 40 DEAB Cc1n[nH]c(NS(=O)(=O)C2=Cc3ccccc3OC2)c1C 195578560 OMDNDUSMKNWZQH-UHFFFAOYSA-N 305.359 2.202 0 40 DEAB Cc1nc(C(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)no1 193977758 RMOQZUKKVGAMDB-WDEREUQCSA-N 307.375 2.168 0 40 DEAB O=C(Cc1ccccc1Cl)N1CC[C@@H](Oc2cccnn2)C1 225412769 KQWQQLTYVUDUJH-CYBMUJFWSA-N 317.776 2.352 0 40 DEAB C[C@@]1(O)CCN[C@@H](c2ccccc2)[C@@H]1NC(=O)C1CCCC1 514290043 VWMKWVGYPBMFPY-XYJFISCASA-N 302.418 2.147 0 40 DEAB biogenic,in-vitro C[C@@H](NCCN1CCCS1(=O)=O)c1cc2ccccc2o1 89519724 IYNQISMFHKISJJ-GFCCVEGCSA-N 308.403 2.119 0 40 DEAB CS(=O)(=O)N1CCCCC12CCN(Cc1ccco1)CC2 96051210 VFDOXMZUKDGLPT-UHFFFAOYSA-N 312.435 2.060 0 40 DEAB COC(=O)[C@H]1CCCCC[C@@H]1NC(=O)CCCn1ccnc1C 96461684 UKUQJVXJELDXBR-GJZGRUSLSA-N 321.421 2.210 0 40 DEAB COc1c(C)cnc(CNc2c(C)c(C)nc3ncnn23)c1C 96419416 RGHSXWBAUFMXBM-UHFFFAOYSA-N 312.377 2.374 0 40 DEAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cnn(C)c2)o1 96205769 ARCBPUAOWQEBBT-SJORKVTESA-N 300.406 2.170 0 40 DEAB O=C(O)C1=CSc2[nH]c(=O)sc2[C@H]1c1ccccc1O 96318907 IYJBMDHHLVWQLM-VIFPVBQESA-N 307.352 2.348 0 40 DEAB Cn1ccnc1CN1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1 96224483 ADCTWUGPCUCKPR-LJQANCHMSA-N 324.428 2.439 0 40 DEAB O=C(NCCOC[C@@H]1CCCO1)NC[C@H]1C[C@@H]1c1ccccc1 96406868 QGPHSPPFCIIZSC-IXDOHACOSA-N 318.417 2.285 0 40 DEAB CC(C)N1CC[C@H](N(C)C[C@H]2OCCc3ccccc32)C1=O 95406520 HMNMJTSVJGWOTM-DLBZAZTESA-N 302.418 2.242 0 40 DEAB Cc1ccc([C@H]2[C@H](C(=O)NCc3cccnc3)CC(=O)N2C)cc1 96181338 ZAGMLLMKSSMJJD-AEFFLSMTSA-N 323.396 2.226 0 40 DEAB Cc1cccnc1N1CC2(CCN(C(=O)c3cccnc3)C2)C1 96202728 LFVVLDFXRHVGNZ-UHFFFAOYSA-N 308.385 2.138 0 40 DEAB O=C1[C@@H]2CN(CC3CCOCC3)C[C@H]2CN1c1ccccc1 247706546 FKWLDJUCPWYZAJ-DOTOQJQBSA-N 300.402 2.008 0 40 DEAB Cc1ccc(CC(=O)N2CC[C@H](O)[C@@H](n3ccnc3)CC2)s1 257341269 ZJPDIDQBSSBNDL-GJZGRUSLSA-N 319.430 2.020 0 40 DEAB CC1(C)CC2(CCNCC2)CN1S(=O)(=O)Cc1ccccc1 257269271 MPHCPKBOQNGCFR-UHFFFAOYSA-N 322.474 2.371 0 40 DEAB Cc1c[nH]nc1[C@@H]1CCCCN1S(=O)(=O)c1cccnc1 257319411 VSIOXYFYTNVHRT-ZDUSSCGKSA-N 306.391 2.029 0 40 DEAB O=C(O)c1cccc(O[C@@H]2CN(C3CCCCC3)C[C@H]2O)c1 257202370 ALLXBQXBJDEJSO-HZPDHXFCSA-N 305.374 2.141 0 40 DEAB CC(=O)N1CC[C@@H](Cc2nccnc2-c2ccnn2C(C)C)C1 257324867 WQNKBTBKGZECMR-AWEZNQCLSA-N 313.405 2.332 0 40 DEAB O=S(=O)(Cc1ccccc1)NC[C@@H]1CCCCN1C1CC1 277418265 ACBFPAXPEXGWMU-INIZCTEOSA-N 308.447 2.123 0 40 DEAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCc1ccccc1 298131315 HKMHCEOXPSPDJY-HOCLYGCPSA-N 302.418 2.430 0 40 DEAB CCOC[C@H]1CCN(C)C2(C1)CN(Cc1scnc1C)C2 585102629 CQKNDNAABWVGGH-AWEZNQCLSA-N 309.479 2.384 0 40 DEAB CNc1snc(C)c1C(=O)N(C)Cc1ccc2c(c1)OCO2 28010662 HVUSDTWHCIMLER-UHFFFAOYSA-N 319.386 2.494 0 40 DEAB Cc1nc(COc2ccccc2C(=O)N(C)CC2CC2)no1 44973273 AHGQGLPGNXDHGT-UHFFFAOYSA-N 301.346 2.439 0 40 DEAB Cc1nc(C2(NC(=O)CN(C)c3ccccc3)CCCC2)no1 51148500 KEZJNQAQOULKEU-UHFFFAOYSA-N 314.389 2.400 0 40 DEAB COC(=O)c1oc([C@@H](C)N2CCC(c3nc[nH]n3)CC2)cc1C 91590519 FQSQMVUKFZCMOZ-LLVKDONJSA-N 318.377 2.433 0 40 DEAB CCN1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CCOC2)CC1 95967704 BJFQCHTWHAXRMT-HOCLYGCPSA-N 321.440 2.407 0 40 DEAB O=C(c1coc(Br)c1)N1CCOc2ncccc21 89807756 YPKIDDHBIPCATE-UHFFFAOYSA-N 309.119 2.476 0 40 DEAB Cc1nn(C)cc1C(=O)N(Cc1ccccc1)[C@H](CO)C1CC1 95993397 JTHBRRNDGYIETG-QGZVFWFLSA-N 313.401 2.142 0 40 DEAB COc1cccc(NC(=O)c2cc3cccnc3n(C)c2=O)c1 5303629 JNCUVQJAOTYRLN-UHFFFAOYSA-N 309.325 2.194 0 40 DEAB CO[C@H]1CCC[C@H](C(=O)N2CCC(O)(c3cccnc3)CC2)C1 12113246 PULVRPUVYSLGIG-HOCLYGCPSA-N 318.417 2.097 0 40 DEAB COc1ccc(OCCNS(=O)(=O)c2ccc(C)cc2)cc1 15357846 WHNXVPJKCJSIEL-UHFFFAOYSA-N 321.398 2.361 0 40 DEAB O=C(Cc1cccnc1)N1CC[C@@H]1c1nc(-c2cccnc2)no1 19338402 NOJJTLLZVYLZGW-CQSZACIVSA-N 321.340 2.043 0 40 DEAB O=C(COc1cccc(F)c1)N1CCO[C@@H](c2ccncc2)C1 1848353127 QSISPAOWLDYMQP-MRXNPFEDSA-N 316.332 2.200 0 40 DEAB CC(=O)c1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1 12975266 UWFBHSOEFGUMET-UHFFFAOYSA-N 301.327 2.373 0 40 DEAB O=C(/C=C/c1ccco1)N1CCCN([C@H]2CCSC2)CC1 1565523082 GGJWLGGLLHZBSW-NNTXTVRGSA-N 306.431 2.333 0 40 DEAB O=C(N1CCC1)C1(n2cccn2)CCN(Cc2ccccc2)CC1 2055772607 BYBXERSWNIVOPG-UHFFFAOYSA-N 324.428 2.107 0 40 DEAB O=C(Nc1ccccc1)NC1CCN(c2cnsn2)CC1 1775967446 RQQJYUQJPIPMNU-UHFFFAOYSA-N 303.391 2.329 0 40 DEAB C[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)s1 40074616 OEBCOCHUMGMOKO-RKDXNWHRSA-N 321.851 2.404 0 40 DEAB CC(C)/N=c1\ccccn1C(=O)c1ccc(Cn2cccn2)o1 101903953 SWFSUUFNEBIUMM-KNTRCKAVSA-N 310.357 2.324 0 40 DEAB Cc1cc(C)nc(NCc2ccc(N3CCO[C@@H](C)C3)nc2)n1 52245852 APMWSXAMCXJKOA-AWEZNQCLSA-N 313.405 2.326 0 40 DEAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)NCC(F)(F)F)cc1C 32771592 REDGVEMRDDTVCO-VIFPVBQESA-N 317.311 2.432 0 40 DEAB COC(=O)C(C)(C)NC(=O)c1cc(-c2cccc(Cl)c2)[nH]n1 42055179 CCJPVNJFKWTRPJ-UHFFFAOYSA-N 321.764 2.412 0 40 DEAB c1coc(-c2nnc(CN3CCN(c4nccs4)CC3)o2)c1 54620634 FRXDCFAFDNHKRX-UHFFFAOYSA-N 317.374 2.108 0 40 DEAB COc1ccccc1CC(=O)N1CCC(c2nc(C)no2)CC1 54663818 JNTXQWFUWLDBOZ-UHFFFAOYSA-N 315.373 2.335 0 40 DEAB Cc1ccc(-c2nnn(CC(=O)Nc3c(C)cccc3C)n2)o1 412116 IEAPDCUJUSDSSF-UHFFFAOYSA-N 311.345 2.497 0 40 DEAB O=C1CSC(=O)N1C[C@H](O)COc1cccc2ccccc12 3169487 ZAVBRPLTLZBVCC-LBPRGKRZSA-N 317.366 2.275 0 40 DEAB COC(=O)c1cccn1C1CCN(Cn2cc(Cl)cn2)CC1 78726135 JOTFABWKFWDXIA-UHFFFAOYSA-N 322.796 2.419 0 40 DEAB Cc1cnn(C(=O)CCn2nc(C)c(Br)c2C)c1 2780888 PGECNMZNACIEFP-UHFFFAOYSA-N 311.183 2.498 0 40 DEAB Cn1cc(NC(=O)c2cnn3c(-c4cccs4)ccnc23)cn1 25310360 UPCRESDWFUAALG-UHFFFAOYSA-N 324.369 2.444 0 40 DEAB CCc1ccc(S(=O)(=O)c2cnc(SC)nc2N)cc1 57478004 KBPUPEUARVXJAB-UHFFFAOYSA-N 309.416 2.176 0 40 DEAB CCc1ccc([C@H](N[C@H](C)C(=O)NC(=O)NC)C(C)C)cc1 57593927 KOYRWHSUFQKNHT-IUODEOHRSA-N 305.422 2.380 0 40 DEAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 8261393 OXHWLFONBQSNAE-GFCCVEGCSA-N 304.390 2.353 0 40 DEAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NC[C@H]3CCCO3)c12 27397449 TUJIJZFHGUNUCY-GFCCVEGCSA-N 316.405 2.309 0 40 DEAB O=C(Nc1cccc(CNCc2cccnc2)c1)[C@@H]1CCCO1 58014455 VVWFYXDLKKIOPM-KRWDZBQOSA-N 311.385 2.489 0 40 DEAB O=C(Nc1ccccc1Cl)N1CCC[C@H](N2CCNC2=O)C1 58054395 DZMNTRPMDIOKGQ-NSHDSACASA-N 322.796 2.362 0 40 DEAB CC(C)OCCCNC(=O)N1CCN(c2ccccc2F)CC1 10080035 FWXSPMDQPOHCSJ-UHFFFAOYSA-N 323.412 2.472 0 40 DEAB CC(=O)N1C[C@@H](C(=O)Nc2nc(C)cs2)Oc2ccccc21 10554859 BFTBITZCTSUIFR-ZDUSSCGKSA-N 317.370 2.204 0 40 DEAB CSc1ncccc1C(=O)NC[C@H](C)N1C[C@@H](C)O[C@H](C)C1 36389950 HHSZFNXQTSNYDG-YNEHKIRRSA-N 323.462 2.031 0 40 DEAB CC(C)COC1CCN(S(=O)(=O)C[C@H]2CCCCO2)CC1 84544386 JNIQQUSGMROXRD-OAHLLOKOSA-N 319.467 2.022 0 40 DEAB Cc1cc([C@H](C)NC(=O)N[C@@H]2CCCCNC2=O)c(C)s1 45668109 XDIOFEXGYUYUED-GXFFZTMASA-N 309.435 2.394 0 40 DEAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CNc1ccc(F)cc1 100395110 MEJIITADDXGLNA-JQOWZUPLSA-N 312.344 2.248 0 40 DEAB CCCCS(=O)(=O)N(C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 84746729 BWBNGCAYHRSVPM-RDJZCZTQSA-N 321.442 2.479 0 40 DEAB CCCN(CC(=O)N(C)C)C(=O)Cc1ccc2c(c1)CCCC2 60406011 YDUWLZYVSWMBDW-UHFFFAOYSA-N 316.445 2.435 0 40 DEAB CCN(CC(=O)Nc1cc(Cl)ccc1-n1cncn1)C1CC1 29912929 OXVKUHWEPSTQMB-UHFFFAOYSA-N 319.796 2.344 0 40 DEAB Cc1csc(CNC(=O)c2cccnc2N2CCCC2)n1 48261426 HWVIZJBKVHVJFJ-UHFFFAOYSA-N 302.403 2.377 0 40 DEAB O=C(NCc1ccoc1)Nc1ccc(N2CCNC2=O)cc1 48235634 DYEIJWGMKYZIET-UHFFFAOYSA-N 300.318 2.131 0 40 DEAB CCOC(=O)N(C)C1CCN(CC2(O)CCC(C)CC2)CC1 95401512 YYAKQECZCQBPPX-UHFFFAOYSA-N 312.454 2.480 0 40 DEAB CCn1nc(C(=O)NCc2cccs2)c2ccccc2c1=O 3362537 QDYFYERNETUDTI-UHFFFAOYSA-N 313.382 2.408 0 40 DEAB C[C@H](c1cccnc1)N1CCN([C@H]2Cc3ccccc3[C@@H]2O)CC1 95451578 JJVCIWMHAXIOPC-XPGWFJOJSA-N 323.440 2.419 0 40 DEAB Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCC(=O)N3)o1 48301492 QRLLIRXVUSOFLT-JTQLQIEISA-N 300.314 2.410 0 40 DEAB O=C1CC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)N1 12913262 ZXOWMPBBLZKICU-INIZCTEOSA-N 310.353 2.483 0 40 DEAB O=C(CCCNc1ncnc2[nH]cnc12)N1CCc2ccccc21 95431082 TUBDEGDCJIWLQD-UHFFFAOYSA-N 322.372 2.134 0 40 DEAB O=C(O)c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc23)c1 3888364 KNOMAJGTMGMTLM-UHFFFAOYSA-N 308.293 2.479 0 40 DEAB CC(C)CCN1CC2=C(C1=O)[C@H](c1ccc(F)cc1)NC(=O)N2 9317236 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COc1ccc(OC)c2c1CN(Cc1nc(C)c(C)o1)C[C@H]2O 71824706 FUQRGJUNEDUVSM-CYBMUJFWSA-N 318.373 2.358 0 40 DEAB O=C(c1ccc2cc[nH]c2c1)N1CCCN(c2cccnn2)CC1 71860339 MKVULPADMJGSOF-UHFFFAOYSA-N 321.384 2.310 0 40 DEAB Cc1cccc(C)c1OC1CCN(C(=O)c2cn[nH]n2)CC1 71819883 NDPMJAKLLBWXAO-UHFFFAOYSA-N 300.362 2.105 0 40 DEAB Cc1ccc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1 7269507 XOUZNPDYXSYBQN-UHFFFAOYSA-N 321.379 2.084 0 40 DEAB COc1cccc(OCC(=O)N2CC(=O)Nc3ccccc32)c1 15859057 DZTOQJFZJRNSQJ-UHFFFAOYSA-N 312.325 2.059 0 40 DEAB CCOC(=O)[C@H](C)N1CCCN(C(=O)Oc2ccccc2)CC1 72074097 ZGXHTLZWYKAZRD-AWEZNQCLSA-N 320.389 2.145 0 40 DEAB COc1ccc(CC(=O)OCc2ccc(C(N)=O)cc2)cc1F 16545815 MLMIWYBZQMJZFJ-UHFFFAOYSA-N 317.316 2.219 0 40 DEAB CCCS(=O)(=O)N1CCCN(C)c2nc3ccccc3nc21 8130222 UGJDMMRSBWBHQO-UHFFFAOYSA-N 320.418 2.016 0 40 DEAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(NC2CC2)nc1 69455042 AJDNYDZSRADMKF-CVEARBPZSA-N 314.433 2.355 0 40 DEAB CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)c(Cl)c1 69457927 IVKSCRNYZZSFMN-LLVKDONJSA-N 301.173 2.344 0 40 DEAB C[C@@H]1C[C@@H](C)CN(C(=O)CCn2c(=O)oc3ccccc32)C1 17244227 ZIHNRUZZCPVVSC-CHWSQXEVSA-N 302.374 2.489 0 40 DEAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4O3)C2)n[nH]1 84110347 LQDVUDATZYHYJA-RHSMWYFYSA-N 311.385 2.428 0 40 DEAB C[C@H](CNC(=O)c1cnc2c(cnn2C2CCCC2)c1)N(C)C 69509341 DDQKSFXGFPALFT-GFCCVEGCSA-N 315.421 2.226 0 40 DEAB CN1C(=O)C[C@H](NC(=O)c2ccon2)[C@H]1c1ccc(Cl)cc1 91771590 VCMHCFCUJATMAA-GXTWGEPZSA-N 319.748 2.030 0 40 DEAB Cc1sc2ncn(CC(=O)Nc3ccncc3)c(=O)c2c1C 17584343 ZSNNENSHIMDIID-UHFFFAOYSA-N 314.370 2.109 0 40 DEAB CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)O)c1nc2ccccc2[nH]1 97017664 ATVGIRGKQLBYCX-MIJXAVMKSA-N 315.373 2.487 0 40 DEAB CC(=O)Nc1nc(CN2CCCC[C@H]2Cn2cccn2)cs1 69770378 IHJLWQHMMNWDKS-AWEZNQCLSA-N 319.434 2.353 0 40 DEAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NCC(=O)N(C)C)cc3c2C1 8777571 NVNGENVQASJSOF-LLVKDONJSA-N 313.401 2.111 0 40 DEAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)n2cncn2)n1 72281658 JOZZIXWZBHGDFM-RYUDHWBXSA-N 305.407 2.358 0 40 DEAB O=C(Nc1cccc(-c2nnco2)c1)N1CCC[C@@H](CCO)C1 72274013 CWEGADSJJHORHT-LBPRGKRZSA-N 316.361 2.363 0 40 DEAB Cc1c(Br)cccc1C(=O)N1CCC[C@H]1C(=O)O 88440171 AXIVQUJKUNKCNK-NSHDSACASA-N 312.163 2.447 0 40 DEAB Cc1ccc(S(=O)(=O)N[C@@](C)(CN)C2CC2)c(Cl)c1 95972372 YLJJAIMFCBHVFS-ZDUSSCGKSA-N 302.827 2.054 0 40 DEAB CS(=O)(=O)Cc1ccc(NC(=O)CC(F)(F)F)cc1F 95965742 VLGVMRAVJPHTNL-UHFFFAOYSA-N 313.272 2.261 0 40 DEAB COc1ccc(CCN[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1OC 95964880 DJPKSGABMKQRFB-UKRRQHHQSA-N 304.434 2.461 0 40 DEAB C[C@@H](OCC1CC1)C(=O)N(C)c1ccc(OCCN(C)C)cc1 75136772 HAIKVMVYNHNMAI-CQSZACIVSA-N 320.433 2.405 0 40 DEAB Cc1ccc(CNC(=O)N2CCC[C@H](c3nncn3C)C2)s1 89656573 YLRYLXOEISAXMN-LBPRGKRZSA-N 319.434 2.274 0 40 DEAB CC[C@H]1CN(C(=O)c2cnc(C)nc2C(C)C)C[C@@H]1N(C)C 89948570 CYZQQBPYDKVIDE-ZFWWWQNUSA-N 304.438 2.321 0 40 DEAB Cc1cc(C)cc(CN2CC[C@H]3[C@H]2CCN3CC(=O)N(C)C)c1 306137027 QJHNUBDWESFBLO-MSOLQXFVSA-N 315.461 2.040 0 40 DEAB CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1c(C)cccc1F 189945145 ZOHNCKDBZOZBKY-LBPRGKRZSA-N 308.353 2.100 0 40 DEAB O=C(CN1CCN(Cc2ccco2)CC1)Nc1cccc(F)c1 22915311 MEPBEBBOERNYET-UHFFFAOYSA-N 317.364 2.175 0 40 DEAB Cc1cc(C(=O)Nc2nccs2)nc(N2CCCCC2)n1 72239829 LKAKZSHTOWYECN-UHFFFAOYSA-N 303.391 2.484 0 40 DEAB O=C(c1ccc2c(c1)OCO2)N1CCNC[C@@H]1c1ccccc1 313347870 JJGUSMVNRAIXLX-OAHLLOKOSA-N 310.353 2.202 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N(C)C3CCOCC3)cn2)n1 74455259 UTJUEUOMXSNVNK-UHFFFAOYSA-N 314.389 2.135 0 40 DEAB CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCc2cccs2)C1 223189023 CEBJBIQKVOKELH-CYBMUJFWSA-N 308.447 2.444 0 40 DEAB CCOC(=O)[C@H]1CCCN(C(=O)COc2ccc(C)cc2C)C1 40160917 FRFLDPKTCUELLC-HNNXBMFYSA-N 319.401 2.484 0 40 DEAB CCOC(=O)c1csc([C@H]2CCCN2c2ncccn2)n1 225633863 ZUJQJNPNHDCYMW-LLVKDONJSA-N 304.375 2.451 0 40 DEAB CCc1noc([C@@H]2CCCCN2C(=O)c2cc(C)n(C)n2)n1 40714465 BMIWOTQUHUVQEH-LBPRGKRZSA-N 303.366 2.041 0 40 DEAB O=C(CSC(F)(F)F)Nc1ccnn1C[C@H]1CCOC1 63827092 YJQGQVYGIJBEFT-MRVPVSSYSA-N 309.313 2.111 0 40 DEAB CC(=O)c1c(C)cc(C)c(Cn2ccnc2S(C)(=O)=O)c1C 81272372 UVRPVXLXVXBTFL-UHFFFAOYSA-N 320.414 2.463 0 40 DEAB Cc1cc(NC(=O)[C@@]2(C)Sc3ccccc3NC2=O)no1 40804341 DSFLWQVGXMHWFN-AWEZNQCLSA-N 303.343 2.425 0 40 DEAB O=C(Nc1ccnnc1)NC1(Cc2ccccc2)CCOCC1 575603619 WUHNPWYUJKJLCY-UHFFFAOYSA-N 312.373 2.390 0 40 DEAB Cc1cc(C(=O)Nc2cc(-c3ccccc3)nn2CCO)no1 49027713 NIRLTUZYHDBPBW-UHFFFAOYSA-N 312.329 2.091 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2ccc(C)cc2C)c1=O 225966916 HFIOSIROSAIPLP-UHFFFAOYSA-N 314.341 2.229 0 40 DEAB CC(C)(C)c1cc(NC(=O)NC[C@H]2CC(=O)N(C3CC3)C2)no1 97236244 FGHVQIFFNRAOLA-SNVBAGLBSA-N 320.393 2.105 0 40 DEAB CN(C)C(=O)N1C[C@H]2CC[C@@H](C1)C2C(=O)Nc1cccc(F)c1 96252372 AVJMZSWMRIPMMS-ODOQXGPZSA-N 319.380 2.404 0 40 DEAB CSC[C@@H](CCO)NC(=O)Nc1cc(F)c(F)cc1F 96420197 JMTMEJQZAKJSMK-SSDOTTSWSA-N 308.325 2.339 0 40 DEAB COCCN1CCN(Cc2c(C)noc2C)Cc2cccnc21 96198851 HEMVYINSQKPKPU-UHFFFAOYSA-N 316.405 2.155 0 40 DEAB Fc1cccc(N2C[C@@H]3OCCN(Cc4ccncc4)[C@@H]3C2)c1 96081746 HRVDEZVMFWFBKE-MSOLQXFVSA-N 313.376 2.310 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)NCC[C@H](C)O 96503314 VAMKDNHWDAGIHZ-GXTWGEPZSA-N 306.406 2.185 0 40 DEAB O=C(CN(C1CC1)C1Cc2ccccc2C1)NCc1cccnc1 95395055 UELVYRQFULTJLH-UHFFFAOYSA-N 321.424 2.330 0 40 DEAB CC[C@H](C(=O)NCc1cccc(-c2cnn(C)c2)c1)N(C)C 96486077 MTDXLKGZENKULI-MRXNPFEDSA-N 300.406 2.044 0 40 DEAB Cn1ccnc1[C@H]1N(C(=O)c2cnn3ccccc23)CC1(C)C 333091293 OGHBGFFXBBWWAB-CQSZACIVSA-N 309.373 2.291 0 40 DEAB CCOc1ncnc2c1CCN(Cc1c(C)noc1C)CC2 96255602 ZUKQJAHRYKZMCX-UHFFFAOYSA-N 302.378 2.081 0 40 DEAB Cc1ccc(S(=O)(=O)N(C)[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 248112109 YNKBEPPADOZUBF-RRFJBIMHSA-N 309.431 2.429 0 40 DEAB CN(Cc1ncc[nH]1)[C@@H]1CCC[C@H](Oc2cccc(F)c2)[C@H]1O 257262946 LNSZCPCNRXKVKO-VYDXJSESSA-N 319.380 2.342 0 40 DEAB CNc1nccc([C@H]2CCCCN2Cc2cn(C)nc2C)n1 257251790 JSGDEGSWBYNDOI-OAHLLOKOSA-N 300.410 2.287 0 40 DEAB CC(=O)NCc1cc([C@H]2CCCN2c2cc(C)ncn2)ccn1 257286679 PMNMCXROCYXANK-MRXNPFEDSA-N 311.389 2.158 0 40 DEAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2ccncn2)C1 257321938 WDYNDBHWWBZXNX-AWEZNQCLSA-N 314.389 2.420 0 40 DEAB Cc1ccc(Cl)cc1S(=O)(=O)N1Cc2cncnc2C1 96366460 QMIQCRVCEURNPG-UHFFFAOYSA-N 309.778 2.143 0 40 DEAB O=C(N1CC2(C[C@@H](Oc3cccnc3)CS2)C1)C1(F)CC1 575403069 IIKZTXWUKOMTQD-GFCCVEGCSA-N 308.378 2.049 0 40 DEAB CC(C)CN1C[C@@]2(COCCN(Cc3ccccc3)C2)CC1=O 585104683 QXFFOKDAXCMJAO-LJQANCHMSA-N 316.445 2.394 0 40 DEAB Cc1cc(NC(=O)C(=O)NCCc2cccc(O)c2)ccc1F 72291101 YIWHOHZSMPLQMH-UHFFFAOYSA-N 316.332 2.137 0 40 DEAB C[C@H]1CN(C(=O)CCNc2ncnc3ccccc23)C[C@@H](C)O1 52445301 PWOFYWDDLGRMDX-BETUJISGSA-N 314.389 2.068 0 40 DEAB CN(C)[C@H]1CCCN(C(=O)N[C@H](c2nccs2)C2CC2)C1 74709573 WKRYOTDYUZXRSC-STQMWFEESA-N 308.451 2.330 0 40 DEAB O=C(c1cccc(Cl)c1)N1CCN([C@H]2CCC[C@@H]2O)CC1 75572265 KUVKLABSQQERQX-GJZGRUSLSA-N 308.809 2.011 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2COc3ccccc3C2)no1 76043053 SZIYKEVMWBMQCV-ZIAGYGMSSA-N 313.357 2.293 0 40 DEAB C[C@@H](CNC(=O)c1cccc(-n2cccn2)c1)Cn1ccnc1 78986603 JOWAFZMBXFYHEZ-AWEZNQCLSA-N 309.373 2.135 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)N[C@@H](C)Cn1ccnc1)C2 42535859 MLUSOEVMWIZEQS-SWLSCSKDSA-N 301.415 2.413 0 40 DEAB O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@H]2C(=O)N1SC(Cl)(Cl)Cl 5600490 HKXYLBOULKWTCY-JGWLITMVSA-N 316.593 2.125 0 40 DEAB COCC(=O)N1CCOc2nc3c(C)c(C)ccc3cc2C1 12117730 LKVIGXKHSLPNJI-UHFFFAOYSA-N 300.358 2.219 0 40 DEAB Cc1cc(O)n2nc([C@@H]3CCCN3C(=O)c3ccco3)cc2n1 12337009 ZZFBZYXXQZTADV-LBPRGKRZSA-N 312.329 2.314 0 40 DEAB CC(=O)N[C@@]12CCN(Cc3ccc(C(C)C)cc3)C[C@@H]1CNC2 19713078 RXKQNWNQPHFAER-RBUKOAKNSA-N 315.461 2.110 0 40 DEAB CN(CCN)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1 242390174 ABXCNJORUPJXRJ-WKILWMFISA-N 305.422 2.115 0 40 DEAB CCc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1 13692231 JGGZXXPGESTOBI-UHFFFAOYSA-N 318.333 2.333 0 40 DEAB O=c1c(=O)n(-c2ccc(Cl)cc2)ccn1C[C@H]1CCCOC1 1888869371 AIZYTXUUPGAOBU-GFCCVEGCSA-N 320.776 2.079 0 40 DEAB CC(C)OCCN1C(=O)N[C@](C)(c2ccc(F)c(F)c2)C1=O 25607551 VWKCQPMVTREQSU-OAHLLOKOSA-N 312.316 2.157 0 40 DEAB CCCCc1ccc(NC(=O)CN2C(=O)CSCC2=O)cc1 2710703 YQEGEFBPOUJWPU-UHFFFAOYSA-N 320.414 2.070 0 40 DEAB O=C(Cc1nn2c(nc1O)nc1ccccc12)c1ccccc1 6595005 MYRYDZCATZOTOH-UHFFFAOYSA-N 304.309 2.409 0 40 DEAB CC1CCN([C@@]23Oc4ccc(O)cc4[C@@H]2CCCNC3=O)CC1 12417792 QILZHPNVVSKKIW-MAUKXSAKSA-N 316.401 2.206 0 40 DEAB CN1Cc2nccn2C[C@]12CCN(C(=O)[C@@]1(C)CC=CCC1)C2 2055772950 BVLIUDDDVONCIT-ROUUACIJSA-N 314.433 2.046 0 40 DEAB COc1ccc(Cl)cc1C(=O)N[C@]1(C(=O)O)CCSC1 43503672 JIAFAPZJRPQAKJ-CYBMUJFWSA-N 315.778 2.039 0 40 DEAB CCc1nnsc1C(=O)NCc1ccc(OC(C)C)nc1 40541284 JDTSEABUIJUJBT-UHFFFAOYSA-N 306.391 2.213 0 40 DEAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)on2)c1 40541790 WSKBQDLYJRVSDA-NSHDSACASA-N 315.373 2.441 0 40 DEAB O=C(CCc1cccs1)N[C@@H]1CCCN(c2ncccn2)C1 40553697 UNKKQOLIMAMKNR-CYBMUJFWSA-N 316.430 2.256 0 40 DEAB COC(=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)[C@H](c2ccccc2)N1 101481452 LMESCXZYKUQWTJ-IHRRRGAJSA-N 305.374 2.221 0 40 DEAB O=c1[nH]ncc(NCCCOCCc2ccccc2)c1Cl 52486728 HUVXMAUASVUYNR-UHFFFAOYSA-N 307.781 2.485 0 40 DEAB Cc1cccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1C 414522 KGVOOYKGTDGRBH-UHFFFAOYSA-N 322.372 2.178 0 40 DEAB Cc1cc(CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)on1 24509369 FWDDZMJZISSVLG-OAHLLOKOSA-N 321.283 2.228 0 40 DEAB CCN(C[C@@H]1CCOC1)C(=O)Nc1cccc(C(=O)OC)c1 77674976 UEXXLQYPCOPDEY-LBPRGKRZSA-N 306.362 2.364 0 40 DEAB CC(C)(C)OC(=O)N1CC[C@@H](NC[C@@H]2CCN(C3CC3)C2)C1 79073569 LZBROWLQSVWJMG-UONOGXRCSA-N 309.454 2.070 0 40 DEAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1CCCO1 25397169 SSNIWGPBRCEJGT-KRWDZBQOSA-N 313.401 2.343 0 40 DEAB COc1ccc(CN(C)[C@@H](C(N)=O)c2ccccc2)c(OC)c1 26161242 RLBKCNLIRNHLKG-QGZVFWFLSA-N 314.385 2.362 0 40 DEAB Cc1noc(NC(=O)CSc2ncnc3sccc23)n1 56912218 VSNDRRWHMVDYEX-UHFFFAOYSA-N 307.360 2.114 0 40 DEAB COc1c(NC(=O)[C@H]2CCN(C3CCCCC3)C2)c(C)nn1C 75094559 JUUOAJIJHRKTIY-ZDUSSCGKSA-N 320.437 2.330 0 40 DEAB O=C(CSc1nncs1)NCCc1c[nH]c2ccccc12 8428882 UOSDELCUOFFITE-UHFFFAOYSA-N 318.427 2.470 0 40 DEAB NC(=O)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 26219872 NADRCCSQZUJZME-KRWDZBQOSA-N 309.369 2.452 0 40 DEAB Cc1ccnc(NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1 12545925 YJHLUQCRVBOXNE-UHFFFAOYSA-N 313.357 2.474 0 40 DEAB Cc1ccc(=O)n(CC(=O)Nc2ccc(Cl)cc2Cl)n1 44394493 JUROVORLUZAHMJ-UHFFFAOYSA-N 312.156 2.497 0 40 DEAB O=C(NCC1(C2CC2)CCC1)[C@H]1CC(=O)N(CC(F)(F)F)C1 89598012 ZQCJAADDAVAANR-JTQLQIEISA-N 318.339 2.094 0 40 DEAB Cc1ccc(CN(CC(=O)NC(=O)NC(C)C)C2CC2)cc1 27593616 TYZCGKACBBUBDS-UHFFFAOYSA-N 303.406 2.194 0 40 DEAB O=c1oc2ccccc2n1CN1CCN(c2ccccc2)CC1 58159075 KGAPQDQDWARNST-UHFFFAOYSA-N 309.369 2.374 0 40 DEAB CCn1cnnc1SCc1nnnn1-c1c(C)cccc1C 58160912 QWBFIELNDARNNR-UHFFFAOYSA-N 315.406 2.183 0 40 DEAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCOCC2)nc1 27601883 XITMWNOIGFUWJS-UKRRQHHQSA-N 303.406 2.227 0 40 DEAB CNC(=O)CN(Cc1ncc(Cl)n1C)c1ccccc1C 58209280 XQIFDAOTTRRUFE-UHFFFAOYSA-N 306.797 2.135 0 40 DEAB O=C(CNC(=O)c1ccsc1)Nc1ccc2c(c1)CCO2 58331793 XGVZCNWWYQEMMZ-UHFFFAOYSA-N 302.355 2.052 0 40 DEAB Cc1c(C2CC2)nn(-c2ccccc2)c1NC(=O)NCCO 75140361 NKJKGYXYPFQPIO-UHFFFAOYSA-N 300.362 2.172 0 40 DEAB COc1ccc2c(c1)c1ncn(C[C@H]3CCCO3)c(=O)c1n2C 2215925 QRSBLMGDOSDADE-GFCCVEGCSA-N 313.357 2.076 0 40 DEAB COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1ccccn1 58604602 BMBXABRVZAJPBK-UHFFFAOYSA-N 319.382 2.408 0 40 DEAB O=C(CC1(Cn2cnnn2)CCCCC1)NCc1ccccc1 36354655 HJMFNVFDCCTCJX-UHFFFAOYSA-N 313.405 2.330 0 40 DEAB CC1(C)CCc2sc(CNC(=O)[C@H]3CCC(=O)N3)cc2C1 95407235 UUSDJXQZVCGENS-GFCCVEGCSA-N 306.431 2.158 0 40 DEAB CCn1cc(CNCc2cc(C(F)(F)F)n(C)n2)c(C)n1 20349901 CPMNCYRCJHJDFQ-UHFFFAOYSA-N 301.316 2.254 0 40 DEAB Cc1ccc(OCCC(=O)N2CCCC[C@@H]2CC(N)=O)cc1C 60291864 HMKOOZBQLPDIQO-OAHLLOKOSA-N 318.417 2.329 0 40 DEAB Cc1nc(COc2ccc(C(=O)NCC(F)(F)F)cc2)no1 54609788 BXDOYYGJYWWGNO-UHFFFAOYSA-N 315.251 2.249 0 40 DEAB O=C(NCC1(c2ccccc2F)CC1)NC[C@]1(O)CCSC1 89813364 HOUVKRHSNRSDSI-MRXNPFEDSA-N 324.421 2.025 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NCc2ccc(C)cc2)c1 24261896 LJOPQEBURAMMBD-UHFFFAOYSA-N 319.382 2.260 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)c1cc(Cl)c2c(c1)OCO2 37410886 GENBCTARXXANPQ-SNVBAGLBSA-N 311.721 2.148 0 40 DEAB COc1ncccc1NC(=O)NCCc1cn2ccccc2n1 48414773 UKOLAGYIXRVBNB-UHFFFAOYSA-N 311.345 2.102 0 40 DEAB O=C(O)C[C@](O)(c1nccn1Cc1ccccc1)C(F)(F)F 38342328 OPHSJZHBGVPCBO-ZDUSSCGKSA-N 314.263 2.156 0 40 DEAB in-vitro O=C(Cc1ccccc1)NCC(=O)N[C@@H]1CCc2ccccc21 13018727 QKONDXCSFSZTIY-QGZVFWFLSA-N 308.381 2.149 0 40 DEAB O=C(CNC(=O)c1cnc2ccccc2n1)OCc1ccccc1 22738714 FOGVRXDZSWUOML-UHFFFAOYSA-N 321.336 2.103 0 40 DEAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(O)cc2C1 63466956 CSQGIDRFBSQNBR-LLVKDONJSA-N 320.389 2.190 0 40 DEAB Cc1cc(NC(=O)COC(=O)C(C)(C)c2ccccc2)no1 9313878 QDFRYEPMMOMOIM-UHFFFAOYSA-N 302.330 2.443 0 40 DEAB Sc1nnc(-c2cccnc2)n1Cc1ccc2c(c1)OCO2 13693619 OKASSYDOGIVMOC-UHFFFAOYSA-N 312.354 2.406 0 40 DEAB O=c1c2cccnc2ncn1Cc1ccc(OC(F)F)cc1 71799409 GQYYFIBJKKEVSH-UHFFFAOYSA-N 303.268 2.441 0 40 DEAB Cc1ccc(=O)n(CC(=O)NCc2ccc(C(C)(C)C)cc2)n1 65626312 QPFAYHSNSBTPAI-UHFFFAOYSA-N 313.401 2.166 0 40 DEAB CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)CN1CSCC1=O 96432977 LLFNIFAKIDCRAT-CQSZACIVSA-N 324.421 2.042 0 40 DEAB O=C(NCC1CCC2(CC1)OCCO2)c1cccnc1Cl 96446867 BLWITVMJHMVEBM-UHFFFAOYSA-N 310.781 2.398 0 40 DEAB COCCOc1ccc(CN[C@@H]2CCN(C(C)=O)C[C@@H]2C)cc1 89937512 OZGWTYHJPBJQNJ-KBXCAEBGSA-N 320.433 2.058 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@@H]1COc2ccccc2O1 5631542 KOFLNEIVYXNYHQ-CQSZACIVSA-N 301.317 2.324 0 40 DEAB CCCC(=O)N1CSC[C@@H]1C(=O)N1CCc2ccccc2C1 66589773 SUIYNCYBJBXUQA-OAHLLOKOSA-N 318.442 2.273 0 40 DEAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C)no1 6851879 HPDYEOIOHOXGDC-UHFFFAOYSA-N 324.720 2.441 0 40 DEAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1CC1(O)CCCCC1 71825003 FJTHYEKKMICDKE-SFHVURJKSA-N 314.385 2.075 0 40 DEAB Cc1ccc([C@H](NC(=O)c2n[nH]c(=O)[nH]2)c2ccccc2)cc1C 71819843 CHQQSJHERMNZKL-OAHLLOKOSA-N 322.368 2.234 0 40 DEAB C[S@@](=O)CCCNC(=O)c1ccc(Cl)c2cccnc12 71896504 VQQQYDGFDKDFFS-FQEVSTJZSA-N 310.806 2.387 0 40 DEAB Cc1ccc(C)c(-n2ncc3c(N4CCOCC4)ncnc32)c1 15880900 MIWXUSJLYZYYPD-UHFFFAOYSA-N 309.373 2.269 0 40 DEAB CCCN(CCO)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 88618661 ONSGNQRVIMMMEU-MAUKXSAKSA-N 302.418 2.304 0 40 DEAB Cc1ccc(OC[C@@H](C)NC(=O)c2cnn3cccnc23)cc1 69352154 ANYWJIGZEOLUAD-CYBMUJFWSA-N 310.357 2.235 0 40 DEAB CC(=O)N(C)C1CCN(C(=O)c2nccc3ccccc23)CC1 69442081 NNMPGBVPRZDIOB-UHFFFAOYSA-N 311.385 2.318 0 40 DEAB c1coc(-c2nnc(CN3CCCC[C@H]3C3OCCO3)o2)c1 69520296 IQNZVSGAVCZYHQ-NSHDSACASA-N 305.334 2.057 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cnn2cccnc12 84012039 GIURVEVAPASLIU-CQSZACIVSA-N 324.388 2.057 0 40 DEAB O[C@@H](CN1CCN(CCOc2ccccc2)CC1)c1ccco1 69625920 AIDSBABZGJHDDB-KRWDZBQOSA-N 316.401 2.010 0 40 DEAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccncc3)ccc12 8578631 KEDKFSZICGIPAG-UHFFFAOYSA-N 324.336 2.192 0 40 DEAB biogenic Cc1ccc(CNC(=O)CN(C)[C@@H]2CCSC2)c(N(C)C)c1 95979046 KWZVAZSYTKDMCZ-OAHLLOKOSA-N 321.490 2.115 0 40 DEAB CC(C)NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 20495634 IJQWHTOVPMOPPF-UHFFFAOYSA-N 324.446 2.141 0 40 DEAB Cc1nc2n(n1)C[C@@H](NCc1ncc(-c3ccccc3)o1)CC2 69952020 OUAAOGULFGBKAW-AWEZNQCLSA-N 309.373 2.346 0 40 DEAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(Cc2ccno2)C1=O 70850305 VAWWVNAWMRVODD-MRXNPFEDSA-N 311.297 2.388 0 40 DEAB Cc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2C[C@@H]2CCOC2)cc1 72275753 HFAHAIVJPFUXBG-JLJPHGGASA-N 317.385 2.396 0 40 DEAB COC(=O)c1ccc(CNC(=O)c2n[nH]c3ccccc23)cc1 9157068 VSSVHFSBZGNXPX-UHFFFAOYSA-N 309.325 2.280 0 40 DEAB O=C(NCC1(O)CCC1)N[C@@H](CN1CCCC1)c1ccccc1 95399580 XTANMNAUGQGUND-INIZCTEOSA-N 317.433 2.038 0 40 DEAB CC[C@H](NC(=O)NCC(C)(C)N1CCCCC1)c1noc(C)n1 84734867 JXARJVMEXXNSFY-ZDUSSCGKSA-N 323.441 2.393 0 40 DEAB O=C(NCc1cccnc1)C1CN(c2nc3ccccc3s2)C1 62023095 KBPLYMBRXDTESG-UHFFFAOYSA-N 324.409 2.444 0 40 DEAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)c1nncc2ccccc12 1545383046 INIQFORZAZHBFO-FZMZJTMJSA-N 311.341 2.465 0 40 DEAB c1cnc(N2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)nc1 72378785 MYJZYGGGQUDYSG-AWEZNQCLSA-N 306.373 2.441 0 40 DEAB CCn1nc(C)c2c1cnn2CCNC(=O)c1ccc(C)s1 72240934 PUBLLQSPQYRSJK-UHFFFAOYSA-N 317.418 2.361 0 40 DEAB CSCc1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 72240351 LMRJGHCVXDCWBV-LBPRGKRZSA-N 301.433 2.007 0 40 DEAB CCNC(=S)Nc1nc(OC)cc(N2CCCC[C@@H]2C)n1 225881292 YOJCUYKNSFGVKJ-JTQLQIEISA-N 309.439 2.170 0 40 DEAB Cc1[nH]ncc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O 89750273 DWMHHJQXDGTELK-UHFFFAOYSA-N 321.280 2.243 0 40 DEAB Cc1cc(N(C)CCCOCc2ccccc2)n2ncnc2n1 225580493 IEWGWCFMNVSNNR-UHFFFAOYSA-N 311.389 2.476 0 40 DEAB C[Si](C)(C)CSc1nnc(C[C@H]2CCS(=O)(=O)C2)o1 195529950 UICZCNOVJVFGCT-SECBINFHSA-N 320.512 2.016 0 40 DEAB C[C@H]1CCO[C@H]1C(=O)NCc1ccn(-c2ccc(F)cc2)n1 96487348 BFRVZTWXLDRXBP-XHDPSFHLSA-N 303.337 2.053 0 40 DEAB O=C(c1ccco1)N1CCC[C@H]1CS(=O)(=O)c1ccccc1 96098294 YRSDSSKLQMYBBQ-ZDUSSCGKSA-N 319.382 2.358 0 40 DEAB COc1cc(C2(C(=O)N3CCN(C4CC4)CC3)CC2)ccc1C 96402625 GTCVQMXOHBLCGV-UHFFFAOYSA-N 314.429 2.342 0 40 DEAB CN(C)c1ccc(NC(=O)NC[C@](C)(O)c2ccsc2)cn1 96420116 KIIVACQERFJZHI-HNNXBMFYSA-N 320.418 2.238 0 40 DEAB CN(Cc1cc2ccccc2o1)C(=O)CCCS(C)(=O)=O 96445184 CGAWZFYYMQZQBW-UHFFFAOYSA-N 309.387 2.216 0 40 DEAB COC[C@@H](O)CN(C)c1nnc(-c2ccccc2Cl)s1 96502655 WWKHWPXNKOBBPF-VIFPVBQESA-N 313.810 2.302 0 40 DEAB COC[C@@H]1CN(CCOCc2ccccc2)Cc2cncn2C1 96216736 GFJODYRFQOVOBB-QGZVFWFLSA-N 315.417 2.178 0 40 DEAB Cc1ccccc1-c1cc(N[C@@H]2CCO[C@@H]2C)n(CCO)n1 97231980 JMVVMHJXSRBVOK-UKRRQHHQSA-N 301.390 2.440 0 40 DEAB CCc1ccc(-c2nc([C@@H]3CCOC3)no2)cc1S(C)(=O)=O 96487420 HFPRBICXPRGUTO-GFCCVEGCSA-N 322.386 2.206 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)c1ccc2cc[nH]c2c1 96418857 AKCRGCCVDMBVRE-ZDUSSCGKSA-N 302.374 2.341 0 40 DEAB Cc1occc1CNC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 96420534 MVHROAIQBYFGKN-HNNXBMFYSA-N 321.421 2.282 0 40 DEAB CC(C)CC[C@H]1CCCCN1C(=O)N[C@H](C)CS(C)(=O)=O 96474212 NBWGXCNMSVTCEG-ZIAGYGMSSA-N 318.483 2.420 0 40 DEAB CCN1C[C@H](COC(=O)c2ncccc2C(F)(F)F)CC1=O 97374866 JZKGRHCKONZOPV-SECBINFHSA-N 316.279 2.126 0 40 DEAB c1cncc(O[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1 96072514 VSYXXFLLTPCOHH-SJORKVTESA-N 300.358 2.487 0 40 DEAB O=C(c1cscn1)N1C[C@@H]2CN(Cc3ccccc3F)[C@@H]2C1 247867754 PIBSHVHNHUARQF-SWLSCSKDSA-N 317.389 2.239 0 40 DEAB O=C(NCCS(=O)(=O)CCc1ccccc1)[C@@H]1CC=CCC1 252492724 MUIGVDDWXZSFQT-MRXNPFEDSA-N 321.442 2.116 0 40 DEAB O=C(c1cscn1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257310460 UFDICCFQXHQELQ-LLVKDONJSA-N 313.386 2.434 0 40 DEAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 257310734 UGHKGRZPMLATEP-CQSZACIVSA-N 311.341 2.491 0 40 DEAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cncn2)nn1 96097831 WAMCNDBHRASRFS-UHFFFAOYSA-N 318.699 2.102 0 40 DEAB Cc1occc1C(=O)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@H]2C1 96080768 IAURWPIHLYJAMY-CJNGLKHVSA-N 310.353 2.323 0 40 DEAB CO[C@@]1(CCC(N)=O)CCCN(C(=O)c2ccc(F)c(C)c2)C1 585278902 WQDBMWHBDLZUDQ-QGZVFWFLSA-N 322.380 2.021 0 40 DEAB CC(C)C(=O)N1CCC2(CC1)CN(C)C[C@@H]2COCC1CC1 585102774 FGFDCARSCHRKLL-MRXNPFEDSA-N 308.466 2.239 0 40 DEAB Cc1c(C(=O)NCCC(C)(C)C)sc2ncn(C)c(=O)c12 31759658 WEKDAJZMNDZZGG-UHFFFAOYSA-N 307.419 2.469 0 40 DEAB Cc1ccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)nn1 1776007812 GFBSGEPPSXBTJW-UHFFFAOYSA-N 310.405 2.169 0 40 DEAB 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COc1cccc([C@H]2CCCN2C(=O)[C@H]2CCN(C)C(=O)C2)c1 44367600 VKCVFZRCUOHINB-GOEBONIOSA-N 316.401 2.227 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](C(N)=O)C2)c(C)c1 8171828 XNEVRVWAWZVDNB-CABCVRRESA-N 317.433 2.136 0 40 DEAB Cc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)NC3CC3)C2)o1 50447376 RWKLSINTZAQNDT-XEHSLEBBSA-N 302.374 2.118 0 40 DEAB Cc1ccc2nc(C)cc(C(=O)N3CCC(C(N)=O)CC3)c2c1 44866593 VSHFTXCCANQOEZ-UHFFFAOYSA-N 311.385 2.189 0 40 DEAB O=C(NCCc1cccs1)NC[C@@H](O)c1cccc(F)c1 58291609 LYNYZOOGAGOJGN-CQSZACIVSA-N 308.378 2.463 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2cc(OC)ccc2OC)CC1 44998200 QRBGAJQYZIDZPD-UHFFFAOYSA-N 321.373 2.119 0 40 DEAB O=c1ccnc2sc(NCCCOC3CCCCC3)nn12 44974934 MLNIARUXCTXWLX-UHFFFAOYSA-N 308.407 2.302 0 40 DEAB Cc1csc(CNC(=O)NC[C@@H](C)N2CCC[C@H](C)C2)n1 44952916 AMAUMBSECWCTMP-WCQYABFASA-N 310.467 2.371 0 40 DEAB COCCN1CN(Cc2ccccn2)Cn2c1nc1ccccc12 9264912 NEIXZCLQEXEUBZ-UHFFFAOYSA-N 323.400 2.315 0 40 DEAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)C[C@H]2CCCO2)cc1 58309391 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309.325 2.369 0 40 DEAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1ccc(N(C)C)nc1 47189147 CYBFKMPAXOXKFI-UKRRQHHQSA-N 305.422 2.473 0 40 DEAB CCCn1nc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)ccc1=O 102402254 JZTMKUWNIDZHGZ-AAVRWANBSA-N 303.406 2.208 0 40 DEAB C[C@H]1C[C@H](Nc2ccc3nnc(C(F)(F)F)n3n2)CCO1 95455671 HIZFJXAECQVCJW-JGVFFNPUSA-N 301.272 2.123 0 40 DEAB Cc1cc(F)cc(S(=O)(=O)N[C@@H]2c3ccccc3C[C@H]2O)c1 95442374 DIHQOAMSRUWXHB-HZPDHXFCSA-N 321.373 2.071 0 40 DEAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccc2c(c1)OCO2 3322137 RDXJXNPLOSWYRO-VXGBXAGGSA-N 319.357 2.362 0 40 DEAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)NC(=O)NC(C)(C)C 12812004 LXFDFTWPPIKZTF-SECBINFHSA-N 324.402 2.490 0 40 DEAB CCOc1ncccc1C(=O)NC[C@H]1COc2ccccc2O1 3534446 UKDZRPQWPYWZHQ-LBPRGKRZSA-N 314.341 2.050 0 40 DEAB CCCc1ccc(N2C[C@H](C(=O)Nc3ncccn3)CC2=O)cc1 12948204 VLCGAOJUVGNKDX-CQSZACIVSA-N 324.384 2.421 0 40 DEAB Cc1ccc(-c2nnc(SCC(=O)N3CCCC3=O)o2)cc1 5210454 IAYPQNSFCBLTOE-UHFFFAOYSA-N 317.370 2.286 0 40 DEAB 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C[C@@H](CSc1ccccc1)C(=O)N1CCCC[C@@H]1C(N)=O 95396433 MCJQCYFNDVDUFK-GXTWGEPZSA-N 306.431 2.281 0 40 DEAB CC[C@H]1CN(S(C)(=O)=O)CC[C@@H]1NC/C=C/c1ccccc1 84736233 WHJLGNFFUYUWGO-RRUDCUFVSA-N 322.474 2.350 0 40 DEAB Cc1cc(Br)cnc1NC[C@@H](O)c1cnn(C)c1 95412092 DPSZTJBRPXSOGK-LLVKDONJSA-N 311.183 2.032 0 40 DEAB C[C@@H]1CC[C@H](C(=O)N2CCCN(C(=O)OC(C)(C)C)CC2)O1 95966882 NMXDHFYVJVOLLF-CHWSQXEVSA-N 312.410 2.023 0 40 DEAB CC(C)(C)NC(=O)NC(=O)CN[C@H]1CCCC[C@@H]1C(F)(F)F 95941227 CQMRRQROJZABKU-UWVGGRQHSA-N 323.359 2.321 0 40 DEAB NC(=O)[C@H](NC(=O)c1cccc2ncccc12)c1ccc(F)cc1 95944641 KMELANSEEUSKGX-MRXNPFEDSA-N 323.327 2.330 0 40 DEAB CC(C)(C)OC(=O)N1CC(C)(OC(=O)CC[C@@H]2CCCO2)C1 75105895 AIIQDQRETACINN-LBPRGKRZSA-N 313.394 2.498 0 40 DEAB CC(C)(C)SCC(=O)N1CCC(Nc2cccnn2)CC1 89694440 MRLUWEWLVUFEOR-UHFFFAOYSA-N 308.451 2.411 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)NC[C@]2(O)CCSC2)s1 89656523 KAQFRLILNIBAIK-QMTHXVAHSA-N 314.476 2.155 0 40 DEAB Cc1ccc([C@](C)(O)CNC(=O)NCc2cnc(C)s2)o1 76085974 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C[C@H](CNC(=O)CCN1CCCC1=O)Oc1ccc(Cl)cc1 81349376 KWSGCAJEVRRWLK-GFCCVEGCSA-N 324.808 2.236 0 40 DEAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 40159825 TXEASYNZKASMRV-WHCBVINPSA-N 316.426 2.418 0 40 DEAB CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N(C)C 226277046 JCMFNGIOZKYINP-UHFFFAOYSA-N 318.295 2.454 0 40 DEAB Cc1cccn2c(O)c(C(=O)NCC3CCCCC3)c(=O)nc12 226822452 VWBOHZSHFFTHPE-UHFFFAOYSA-N 315.373 2.019 0 40 DEAB COc1ncccc1NC(=O)N[C@H](C)Cc1c(C)nn(C)c1C 96434064 JPJYGJFALMFCTO-SNVBAGLBSA-N 317.393 2.193 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)cc1Cl 95433209 MLLJUXAUSZOEAH-VXGBXAGGSA-N 317.838 2.478 0 40 DEAB CSCC[C@@H](C)NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 96420549 LHGDDDBXJRKAPF-ZBFHGGJFSA-N 322.474 2.145 0 40 DEAB C[C@@H](Cc1nc2ccccc2s1)N[C@H](C)Cn1cncn1 96476761 BJZUJFNVFBGQSE-NWDGAFQWSA-N 301.419 2.497 0 40 DEAB COc1ccccc1C[C@@H](NC(=O)c1ccc(O)nn1)C(C)C 96448344 WNCADGNAQRHKJL-CQSZACIVSA-N 315.373 2.188 0 40 DEAB C[C@@H]1OCC[C@H]1NC(=O)NC[C@](C)(O)c1ccccc1Cl 96503177 HUDRPUQELBNPFL-ZBINZKHDSA-N 312.797 2.024 0 40 DEAB NC(=O)N1CCC[C@H]1COC(=O)C1(c2ccc(Cl)cc2)CC1 96442229 RDARJMFJWWBNOO-ZDUSSCGKSA-N 322.792 2.458 0 40 DEAB COc1ccc([C@H](C)NC(=O)NC[C@H]2CC[C@@H](O)C2)cc1F 248975099 TZFOWIJYPVWQNP-GMXVVIOVSA-N 310.369 2.356 0 40 DEAB Cc1cn(C)c([C@@H]2CN(C(=O)c3ccc(C)s3)CCO2)n1 257263057 LOEVFDFDHOXZLI-LBPRGKRZSA-N 305.403 2.312 0 40 DEAB CCc1ncnc(Oc2cccc(OCC(=O)NC)c2)c1F 271083728 IKGLSACUVRCWDZ-UHFFFAOYSA-N 305.309 2.095 0 40 DEAB Cn1cncc1CCC(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C 281047991 BEUDWJHMJSBKPU-CQSZACIVSA-N 321.421 2.076 0 40 DEAB COCCc1cnc2n1CCN(C(=O)c1ccoc1C)[C@H]2C 585097216 GNZMPQUGSDYJRI-NSHDSACASA-N 303.362 2.190 0 40 DEAB c1ccc(O[C@@H]2CCOC3(C2)CN(Cc2cccnc2)C3)nc1 585103840 DDTQEKFBEVMGSX-MRXNPFEDSA-N 311.385 2.289 0 40 DEAB Cc1ccoc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1 69558961 FDCIZDGYRJYRPG-HNNXBMFYSA-N 312.369 2.208 0 40 DEAB CCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C2 69922658 IBQFIAQFJMKOTG-KGLIPLIRSA-N 314.364 2.126 0 40 DEAB Cc1cn2nc(N[C@@H]3CCc4nc(C(C)C)nn4C3)sc2n1 72276373 LROJMHJCOUNSPF-SNVBAGLBSA-N 317.422 2.241 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)NCc1cccnc1-n1ccnc1 44912705 IPOZYJJMALGKPD-AWEZNQCLSA-N 322.368 2.351 0 40 DEAB COc1cccc(CS(=O)(=O)Cc2noc(CC(C)C)n2)c1 46163669 TUPPJLHLVKGBAH-UHFFFAOYSA-N 324.402 2.392 0 40 DEAB CCN1C[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1=O 75723775 VMBVPGAPQICOQR-SJLPKXTDSA-N 323.396 2.156 0 40 DEAB CCS(=O)(=O)C[C@@H](C)N(C)c1ncnc2ccc(F)cc12 76063085 MLXADUDAGKFWEF-SNVBAGLBSA-N 311.382 2.028 0 40 DEAB FC(F)(F)c1ccc(NCCNc2nccn3cnnc23)nc1 76083240 GIGSGJHICADYGY-UHFFFAOYSA-N 323.282 2.062 0 40 DEAB CCOC(=O)c1nnc2ccccc2c1N1C[C@H](C)O[C@@H](C)C1 77898898 HYHXWNWDAGMSDD-RYUDHWBXSA-N 315.373 2.420 0 40 DEAB NC(=O)[C@@H]1CCN(C(=O)COc2ccccc2-c2ccccc2)C1 41127150 VQSSZEXDOTWBCX-OAHLLOKOSA-N 324.380 2.066 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)c1 95982997 FGUSTBQDBTUSPW-AWEZNQCLSA-N 315.373 2.254 0 40 DEAB CC(C)C[C@H](N[C@@H]1CCSC1)c1nc(-c2nc[nH]n2)no1 97038899 LQNMUGQTVJCIAT-ZJUUUORDSA-N 308.411 2.037 0 40 DEAB O=C1Cc2cc(S(=O)(=O)Nc3ccccc3F)ccc2N1 5403040 DJYGWLQTCTVXGJ-UHFFFAOYSA-N 306.318 2.121 0 40 DEAB C[C@@H]1CCC[C@@H]1OC[C@@H](O)CN1CCN(c2ccccc2)CC1 12414221 AUWAPBFAZFRFCV-NEWSRXKRSA-N 318.461 2.375 0 40 DEAB Cc1nc([C@H]2CCN(Cc3ccc(F)cc3)C2)ncc1C(N)=O 19758151 WQZFPLXZBBMGBO-ZDUSSCGKSA-N 314.364 2.013 0 40 DEAB Cc1cccc(OCCn2c(=N)n(CCO)c3ccccc32)c1 19973659 AYJOBKQHPAPHDY-UHFFFAOYSA-N 311.385 2.302 0 40 DEAB Cc1ccsc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O 8477229 HTSQZUPCIIRJRD-DHZHZOJOSA-N 304.371 2.461 0 40 DEAB C[C@@H]1CCC[C@H](NC(=O)CSc2nnc(N)s2)[C@@H]1C 4164780 BDHKICHWIZQXSL-HLTSFMKQSA-N 300.453 2.153 0 40 DEAB CCOC(=O)N1CC[C@@H](Oc2ccc(Br)cn2)C1 238877108 OIEZCCOOWDTVQI-SNVBAGLBSA-N 315.167 2.454 0 40 DEAB CCOc1ccc(N(C(=O)CC)[C@@H]2C=CS(=O)(=O)C2)cc1 4165355 KHTUQDHTAKEVSM-CYBMUJFWSA-N 309.387 2.139 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(-n2cnnn2)cc1 40023805 KRGZTTIGHNBCIA-RISCZKNCSA-N 300.366 2.363 0 40 DEAB C[C@@]1(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)CC1(Cl)Cl 50445827 KOZRSNJVYDOUNW-RNCFNFMXSA-N 319.232 2.088 0 40 DEAB CN(C)c1ccc(C(=O)NCc2ccc(-n3cccn3)nc2)cc1 40488718 OEEYHNCOZGTDNN-UHFFFAOYSA-N 321.384 2.263 0 40 DEAB Cc1cc(CN(C)C(=O)c2cncc(Br)c2)no1 31658619 XWBVDIKECOZUEP-UHFFFAOYSA-N 310.151 2.413 0 40 DEAB O=c1c2ccc(F)cc2ncn1Cc1noc(-c2ccco2)n1 31781294 KHEVSXMGGBYCKT-UHFFFAOYSA-N 312.260 2.227 0 40 DEAB Cc1ccc(O[C@@H](C)C(=O)NCCCn2ccnc2)c(C)c1 20567963 JQTNKXFHFYUMBI-HNNXBMFYSA-N 301.390 2.474 0 40 DEAB CC[C@H](C)Oc1ccccc1[C@H]1C=C(C(=O)O)Nc2ncnn21 101347922 WEVYQNOECMTEGQ-GXFFZTMASA-N 314.345 2.439 0 40 DEAB COC(=O)[C@@H](NC(=O)c1ccc2cc(OC)ccc2n1)C(C)C 32868900 ZHAAFBQMJLQFNK-HNNXBMFYSA-N 316.357 2.171 0 40 DEAB Cc1c(C(=O)O[C@H](C)C(=O)NC2CCCCCC2)cnn1C 21615474 MAKGOAKGHGIPPU-GFCCVEGCSA-N 307.394 2.113 0 40 DEAB CCn1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 102597285 LQTDTJWFWHSHQS-PYJNHQTQSA-N 311.451 2.314 0 40 DEAB Cc1cc(=O)oc2cc(OCC(=O)NCc3ccco3)ccc12 420321 SQQFYBUDKSUYKD-UHFFFAOYSA-N 313.309 2.390 0 40 DEAB biogenic O=C1Nc2ccc(Br)cc2[C@@H]1NC(=O)C(F)(F)F 547133 GWICUKVBLVFIRD-ZETCQYMHSA-N 323.068 2.121 0 40 DEAB O=C(CSc1nccn1C1CC1)N1CCO[C@@H]2CCCC[C@H]21 53717124 OLPVDWWQMMMWBY-ZIAGYGMSSA-N 321.446 2.480 0 40 DEAB CCN(CC)[C@@H](CNC(=O)c1cnn(C)c1)Cc1ccccc1 23197570 ILSYQCHLMBQCEM-QGZVFWFLSA-N 314.433 2.103 0 40 DEAB Cc1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1F 107878 HGERAVMUTVQWDN-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB C[C@@H](NC(=O)COc1ccccc1C(N)=O)[C@@H]1C[C@H]2CC[C@H]1C2 105754214 CNQDPAXAZLCNGI-OSFYFWSMSA-N 316.401 2.105 0 40 DEAB CCNC(=O)c1ccc(CNCc2cccc3c2OCO3)cc1 47703972 UBYUIJCTOJAPJP-UHFFFAOYSA-N 312.369 2.455 0 40 DEAB COc1ccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1 1329877 HBYDRUIVLZFKPU-ZDUSSCGKSA-N 312.373 2.340 0 40 DEAB Cc1cc(/C=C2/NC(=O)N(C)C2=O)c(C)n1-c1ccc(O)cc1 6961755 QKDPVZNXXNAQCN-OQLLNIDSSA-N 311.341 2.322 0 40 DEAB CC(=O)NCc1ccc(C(=O)CSc2ncccn2)s1 7417007 NMCQDKHPVDZUHS-UHFFFAOYSA-N 307.400 2.149 0 40 DEAB CCCCOC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 7881356 LTJNCSVDOFROKH-LBPRGKRZSA-N 305.330 2.081 0 40 DEAB Cc1cc(NC(=O)N2CCC[C@@H]2CN2C[C@H](C)O[C@H](C)C2)no1 58018900 GGKUDTDTGAUETD-HZSPNIEDSA-N 322.409 2.089 0 40 DEAB CCN1C(=O)N[C@H](c2c(F)cccc2F)C(C(=O)OC)=C1C 8323136 ZIOQDQRUZRHTRJ-ZDUSSCGKSA-N 310.300 2.498 0 40 DEAB COCCN1C(=S)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C 8983034 CISFLRRVTODPON-AWEZNQCLSA-N 320.414 2.011 0 40 DEAB O=C(CCOc1ccccc1)NC[C@H](O)c1ccccc1F 89845774 RALDCSBCTZFJSP-INIZCTEOSA-N 303.333 2.444 0 40 DEAB CSCCC(=O)NCc1nnc2ccc(C(F)(F)F)cn12 25402726 ZDYMAUAABHGNRK-UHFFFAOYSA-N 318.324 2.117 0 40 DEAB Cc1cccc(N2C(=O)C[C@@H](NCCCOC(C)C)C2=O)c1 103151254 RSFTUQHAWDOHKZ-OAHLLOKOSA-N 304.390 2.032 0 40 DEAB CCNC(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 45165374 BBQMWDCUMMHCIK-URZJAHPPSA-N 304.434 2.330 0 40 DEAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N(C)C)cc2)C1 12571654 RWYDXYXBKGHQEK-OKILXGFUSA-N 318.417 2.414 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ncnc3sccc13)CC2 89986562 STRHEEQXERJQMR-CHWSQXEVSA-N 319.430 2.448 0 40 DEAB CCN(Cc1ccc(OC)cc1)C(=O)c1ccn(C)c(=O)c1 45398723 KWSIYTOTUZLURN-UHFFFAOYSA-N 300.358 2.056 0 40 DEAB CCN1CCC(CCNC(=O)[C@@H]2C[C@H]2c2cccnc2)CC1 76041657 ABNXGBJVRDUKIX-DLBZAZTESA-N 301.434 2.423 0 40 DEAB Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)c(Cl)c1 20136140 PTFKEYWHXGUQLZ-UHFFFAOYSA-N 307.703 2.133 0 40 DEAB CC(C)c1noc(-c2ccc(NC(=O)[C@@H]3COCCO3)cc2)n1 76141752 BKYPSBVTLBROII-ZDUSSCGKSA-N 317.345 2.214 0 40 DEAB O=C(c1cc(Br)c[nH]1)N1CCN2CCCC[C@@H]2C1 37845355 BZIMDGLNOPEFIF-LLVKDONJSA-N 312.211 2.088 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(Cl)ccn2)C1 37991453 RBVZEVFBMYISRY-NSHDSACASA-N 311.769 2.086 0 40 DEAB CCOCCCNC(=O)CSc1ccc(OC)c(OC)c1 20484624 WXKGFFIAHFEOBY-UHFFFAOYSA-N 313.419 2.339 0 40 DEAB COc1ccccc1-c1noc(COC(=O)c2ccccn2)n1 12917252 GDHVKPGIOLYDCE-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB CCn1c(SCC(=O)NC(C)(C)C)nc2ccccc2c1=O 6093004 OPLWBBRJJDAWMN-UHFFFAOYSA-N 319.430 2.423 0 40 DEAB Cc1ncc(C(=O)NCCNc2ncnc3sccc23)s1 65406181 BJZOOTGAIXFESH-UHFFFAOYSA-N 319.415 2.298 0 40 DEAB NC(=O)N[C@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 14063474 NVXVMUFWQJKBNH-GFCCVEGCSA-N 321.377 2.303 0 40 DEAB Cc1ccc(OC[C@@H](C)NC(=O)CCCNC(=O)C2CC2)cc1 65591029 NZAAQCXCACFNMT-CQSZACIVSA-N 318.417 2.185 0 40 DEAB COc1cc(Cl)ccc1C(=O)NC1CCN(C(C)=O)CC1 65520725 AZRQNOXVTYLEPR-UHFFFAOYSA-N 310.781 2.089 0 40 DEAB CC[C@@H](C)[C@H](NC(=O)Cn1cncn1)c1nc2ccccc2[nH]1 65615214 MQCYNPPUWUZWRP-ABAIWWIYSA-N 312.377 2.058 0 40 DEAB Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)cc1 24833988 KSQAJUXULBDXMB-UHFFFAOYSA-N 323.352 2.299 0 40 DEAB COCc1nc2n(n1)CCC[C@@H]2Nc1nc(C2CC2)ns1 89420443 WWRKEPQZFYNXEY-VIFPVBQESA-N 306.395 2.100 0 40 DEAB Cc1ccc(CNC(=O)CNC(=O)c2cccc(F)c2)cc1 14200392 MTYSMPSRRUVZIF-UHFFFAOYSA-N 300.333 2.180 0 40 DEAB c1csc(-c2nnn(Cc3ccc4c(c3)OCCO4)n2)c1 65947694 GQKSDDSIKLVTIM-UHFFFAOYSA-N 300.343 2.221 0 40 DEAB Cn1cc([C@H]2CCCN2Cc2nc(-c3ccccn3)no2)cn1 71799294 AZLCSEUFRSKRJF-CQSZACIVSA-N 310.361 2.202 0 40 DEAB CCOC1CCN(C(=O)Nc2cccnc2OCCOC)CC1 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CMTRXCDPFBLRIZ-UHFFFAOYSA-N 320.368 2.474 0 40 DEAB O=C(Nc1ccc(F)cc1)c1c(O)c2c([nH]c1=O)CCCC2 17180398 UMKDQIORSCUFGP-UHFFFAOYSA-N 302.305 2.351 0 40 DEAB Cc1ccc(CCCCC(=O)NCCc2nncn2C)cc1 75137360 NTVPWIBQTVFYFA-UHFFFAOYSA-N 300.406 2.195 0 40 DEAB CC(C)(C)c1ncc(CNC[C@H]2CN(C3CC3)CCO2)s1 69589945 SSLZQGQUHIZZDB-ZDUSSCGKSA-N 309.479 2.393 0 40 DEAB Cc1cnn(C[C@H](C)NCc2nnc(Cc3ccccc3)o2)c1 69619894 BREMAMAJINXXFU-AWEZNQCLSA-N 311.389 2.344 0 40 DEAB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cc[nH]n1 69629973 YVCIJEPIAHOJPC-UHFFFAOYSA-N 311.744 2.491 0 40 DEAB CCc1nc2n(n1)C[C@@H](Nc1ncnc3ccsc13)CC2 69601264 XQVIARCQTXFTJA-VIFPVBQESA-N 300.391 2.272 0 40 DEAB COc1ccc(Nc2nnc(C(C)(C)C)c(=O)[nH]2)c(OC)c1 18085832 ULGSFKMHNMZFEW-UHFFFAOYSA-N 304.350 2.223 0 40 DEAB CCCn1cc(CNC(=O)c2ccccc2[C@H]2CCNC2)cn1 72128937 IMSGJFDPPDHVLO-HNNXBMFYSA-N 312.417 2.300 0 40 DEAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccn1 9836093 KYFIDAUDLUWSSW-CYBMUJFWSA-N 312.373 2.471 0 40 DEAB CC(C)CCCNC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 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CCn1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)O)cn1 97228683 JAZIFBZKSGOOGU-RISCZKNCSA-N 301.346 2.095 0 40 DEAB CCO[C@@H]1CCN(Cc2nccn2C)[C@@H]1Cc1cccnc1 96200496 ZEQWHHDWBKQZGG-HZPDHXFCSA-N 300.406 2.037 0 40 DEAB O=C1C[C@]2(CCN(Cc3cccs3)C2)CN1c1cncnc1 96239199 IEJGOMMPVBIDHK-INIZCTEOSA-N 314.414 2.167 0 40 DEAB C[C@@H](NC(=O)N[C@@H]1CCN(C)C1=O)c1csc2ccccc12 96415463 RGQILXRYIMZITF-ZWNOBZJWSA-N 317.414 2.492 0 40 DEAB CCn1ncc2c1[C@H](COC)N(C(=O)Cc1cccs1)CC2 96068199 CPKZEKSTSYXIAZ-AWEZNQCLSA-N 319.430 2.279 0 40 DEAB CCS(=O)(=O)C[C@H](C)N(C)C(=O)N[C@H]1C[C@H]1c1ccccc1 245339028 QASCZAWCKBPWTD-QEJZJMRPSA-N 324.446 2.007 0 40 DEAB CCCn1cc(-c2cnc([C@H]3CCCN(C(C)=O)C3)cn2)cn1 257223079 DVUMOIIFRQMYAU-AWEZNQCLSA-N 313.405 2.476 0 40 DEAB Cc1nccc(C(=O)N2CCC[C@H](c3ccc4cn[nH]c4n3)C2)n1 257250349 JMEDQMICWGIJIA-ZDUSSCGKSA-N 322.372 2.076 0 40 DEAB CCn1nccc1-c1nccnc1C[C@H]1CCCN(C(C)=O)C1 257288306 PTRISAAUWDRJRZ-CQSZACIVSA-N 313.405 2.161 0 40 DEAB c1cnc(N2CCC[C@@H](Cc3cncc(-c4ncc[nH]4)n3)C2)cn1 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0 40 DEAB CCc1ccc([C@H](NC(=O)[C@@H](C)S(C)(=O)=O)C(C)C)cc1 71903342 ZQOXOPRVFUQTNW-IUODEOHRSA-N 311.447 2.495 0 40 DEAB O=C1CCCN1C(=O)CSc1nc(-c2ccccc2)c[nH]1 43812949 RXBUZPCHVHJNFR-UHFFFAOYSA-N 301.371 2.318 0 40 DEAB CCCn1ncc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)c1C 72395123 ZFSKRDRTHSTCKS-RHSMWYFYSA-N 318.421 2.245 0 40 DEAB COCCNC(=O)Nc1ccc(CCN2CCCCC2)cc1 56764444 BTEVJKBENMCZMH-UHFFFAOYSA-N 305.422 2.483 0 40 DEAB CC(C)c1noc([C@H](C)NC[C@H]2CCO[C@@H]2c2cnn(C)c2)n1 84631094 BGJJKHUNBJXYKA-SCRDCRAPSA-N 319.409 2.355 0 40 DEAB CCOC(=O)CN1CCC[C@H](OC(=O)C[C@H](C)n2cccc2)C1 106923342 RAWANYGOBYIVPZ-GJZGRUSLSA-N 322.405 2.010 0 40 DEAB CCc1ccc(S(=O)(=O)NCc2cc(C3CC3)ncn2)s1 585361140 QPXBNXQGEHVVMI-UHFFFAOYSA-N 323.443 2.456 0 40 DEAB C[C@H](NCc1ccnn1C)[C@H]1CCCN1C(=O)OC(C)(C)C 97234106 LXXLCRKSJPJKPN-GXTWGEPZSA-N 308.426 2.298 0 40 DEAB C[C@H]1CN(CN2C(=O)S/C(=C\c3ccco3)C2=O)C[C@@H](C)O1 15931694 GOEKNDBVZFVRRX-IMQPGDGPSA-N 322.386 2.383 0 40 DEAB CCn1/c(=N\C(=O)c2ccno2)sc2cc(OC)ccc21 18230094 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FGUQNXWQOZMDSM-UHFFFAOYSA-N 310.397 2.370 0 40 DEAB COCCCn1c(C)nnc1SCC(=O)Nc1ccccc1 4130647 RSGDLQGLXKHYQU-UHFFFAOYSA-N 320.418 2.354 0 40 DEAB Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccco1 4535151 AECKSNUSLORBEQ-UHFFFAOYSA-N 306.391 2.226 0 40 DEAB C[C@@H](CNC(=O)N1C[C@@H](C)O[C@H](C)C1)N(C)c1ccccc1 107334634 DFBQVNGLQSCCSW-RRFJBIMHSA-N 305.422 2.330 0 40 DEAB Cc1cc(-c2nnc(COC(=O)c3cnccn3)o2)c(C)o1 7120633 FHUOYTWJBNQCHT-UHFFFAOYSA-N 300.274 2.093 0 40 DEAB CC[C@@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)O)C1=O 57842153 LDRSYGNBBCBDKT-INIZCTEOSA-N 304.346 2.052 0 40 DEAB O=C1NC2(CCOCC2)C(=O)N1Cc1ccc(F)cc1Cl 57947784 WUFNGHOKKTVLJU-UHFFFAOYSA-N 312.728 2.080 0 40 DEAB COC(=O)c1c(C)[nH]c(C(=O)NC2CCN(C(C)C)CC2)c1C 10125654 ZTGKMRFVXCYLGB-UHFFFAOYSA-N 321.421 2.021 0 40 DEAB Cc1cc(CN2CCN(Cc3nc4ccccc4o3)CC2)no1 44871452 TVBHDYOFUIWFKJ-UHFFFAOYSA-N 312.373 2.442 0 40 DEAB CNC(=O)NC(=O)CNC1(c2ccc(Cl)c(Cl)c2)CC1 58228671 LYHVKVRNTVLAFT-UHFFFAOYSA-N 316.188 2.028 0 40 DEAB COc1ccc2nc(N3CCN(c4ncccn4)CC3)ccc2c1 44974246 IPHDROMGGOXCOW-UHFFFAOYSA-N 321.384 2.360 0 40 DEAB Cc1c(C(=O)N2CCCN(Cc3cccs3)CC2)cnn1C 28036648 PMCCPBAEOKIUNS-UHFFFAOYSA-N 318.446 2.138 0 40 DEAB NC(=O)c1ccccc1NCC(=O)Nc1cccc(Cl)c1 10840701 FTSYCNFPZYQOFF-UHFFFAOYSA-N 303.749 2.490 0 40 DEAB O=C(NCc1ccccn1)c1cn(-c2ccc(Cl)cc2)nn1 28844357 TVFMYAXQJNSXQP-UHFFFAOYSA-N 313.748 2.246 0 40 DEAB CCOCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 45780417 LSTHETLTWRPNHK-UHFFFAOYSA-N 316.405 2.311 0 40 DEAB Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cn1 3218087 PDUHSIYEBJIVNP-UHFFFAOYSA-N 305.721 2.234 0 40 DEAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H]2CCN3CCCC[C@H]23)on1 47104776 WYOFOCMXEVQCFM-KFWWJZLASA-N 318.421 2.456 0 40 DEAB CC(C)NS(=O)(=O)N1CCC[C@H]1Cc1ccc(F)cc1 62219914 ROFWUXSLGBODOL-AWEZNQCLSA-N 300.399 2.075 0 40 DEAB Cc1nnc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)s1 12789885 IYDZEKVTXKZKKA-UHFFFAOYSA-N 316.386 2.155 0 40 DEAB Cc1nc(CNc2ccn(CCCC(=O)N(C)C)n2)cs1 95415575 URSGXZIAMOAZIF-UHFFFAOYSA-N 307.423 2.129 0 40 DEAB Cc1cc(OCCOCCN2CCN(C)CC2)ccc1Cl 20121484 ZWNPZILPBVVJAT-UHFFFAOYSA-N 312.841 2.291 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CN1CCC[C@@H](O)C1 13148894 DZEIYOXEWBWDRQ-IAGOWNOFSA-N 321.461 2.489 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)Nc1cc(O)ccc1C(=O)O 4029808 HZXFHKRNSGNOJT-JTQLQIEISA-N 301.298 2.496 0 40 DEAB biogenic CN(Cc1ccccc1)C(=O)CN1CCC[C@H](c2ccn[nH]2)C1 72270590 CTURMVKLBYLHRJ-INIZCTEOSA-N 312.417 2.248 0 40 DEAB COC(=O)c1cccc(C(=O)Nc2ccc(-n3nccn3)cc2)c1 49760431 QSKGJKFEDCLSGC-UHFFFAOYSA-N 322.324 2.306 0 40 DEAB Cc1nnc(CN2CCC(CCN3C[C@H](C)O[C@H](C)C3)CC2)o1 84291494 OCZIYLDMXKMFRL-OKILXGFUSA-N 322.453 2.089 0 40 DEAB O=C(O)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1 4205234 JGKUVEBUQZYNGR-UHFFFAOYSA-N 319.320 2.396 0 40 DEAB Cc1ccc(/C=c2\sc3nnc(-c4ccccc4)n3c2=O)o1 13749210 WHYCKOOLDDUBGP-LCYFTJDESA-N 309.350 2.267 0 40 DEAB COc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cn1 14047495 NBXJDIYNYUEYEI-LBPRGKRZSA-N 315.304 2.294 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)c1cnc(-c2ccccc2)nc1 65513415 NCFPTRAFANHEHZ-HNNXBMFYSA-N 319.368 2.085 0 40 DEAB Cc1cc(NC(=O)N2CC[C@H](CN3CCCCC3)C2)nn1C 97103630 ACQSKYRVKGENEV-CQSZACIVSA-N 305.426 2.068 0 40 DEAB Cn1ncc2c(NCCc3ccc(-n4cccn4)cc3)ncnc21 14160452 BYMPWGAMSDJZMC-UHFFFAOYSA-N 319.372 2.204 0 40 DEAB COCCN1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 409124604 BSVXCYOCVOVWFE-FMIVXFBMSA-N 323.370 2.387 0 40 DEAB CCN(CCO)C(=O)c1sc(NC(=O)c2ccco2)cc1C 97177352 UAVDSMLGAUKFNV-UHFFFAOYSA-N 322.386 2.356 0 40 DEAB Cc1cc(C(=O)N2CCO[C@@H](CCc3ccccc3)C2)on1 97111906 YUXJRUBDUSMHLL-HNNXBMFYSA-N 300.358 2.457 0 40 DEAB O=C(NCCN1CCc2ccccc2C1)Nc1ccncc1F 97135832 NYZZYDWNNRYWAT-UHFFFAOYSA-N 314.364 2.401 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1COc2ccccc2C1 15515267 XLNUYZYTIBOQQW-LLVKDONJSA-N 309.325 2.046 0 40 DEAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H](C)OCC2CC2)n1 71870244 QYFKBFAMAAIRIA-GDBMZVCRSA-N 305.422 2.306 0 40 DEAB COc1ccccc1[C@@H](NCc1cnn(C)c1)c1nccn1C 97159097 KROKFQHDWQTLND-MRXNPFEDSA-N 311.389 2.041 0 40 DEAB Cc1ccc(OCC(=O)Oc2ccc(-n3cnnn3)cc2)cc1C 7757507 YGAZEOHXRJOIBV-UHFFFAOYSA-N 324.340 2.264 0 40 DEAB O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc(Cl)nc1 71858694 BXGFRUATPURBRX-UHFFFAOYSA-N 303.709 2.043 0 40 DEAB O=C(Cc1cccc2cccnc12)N1CCN2CCCC[C@@H]2C1 71839846 PXOGDPQKDMGGFA-QGZVFWFLSA-N 309.413 2.474 0 40 DEAB O=c1[nH]c(N2CCc3ccccc3C2)nnc1-c1ccccc1 16675917 GUDDOYAVMBTRSU-UHFFFAOYSA-N 304.353 2.395 0 40 DEAB O=C(NC1CCN(C[C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 71914465 MAEUXEAGPCCOIF-GFCCVEGCSA-N 324.371 2.196 0 40 DEAB CCN(CCC(=O)Nc1cccc2ccccc12)CC(=O)NC 71911875 KGSRFYVNEFJOAY-UHFFFAOYSA-N 313.401 2.236 0 40 DEAB CC(C)c1nc(CN2CCN(Cc3nccn3C)CC2)cs1 69328712 SUXLLQUHGZFFMG-UHFFFAOYSA-N 319.478 2.318 0 40 DEAB COc1ccccc1/C=C/CNCC1CCN(C[C@@H](C)O)CC1 69329094 PESDZANIRYJIFG-BIENSFFJSA-N 318.461 2.391 0 40 DEAB O=C(CC1CCCC1)N1CCN(C(=O)c2cccc(O)c2)CC1 69452920 JRJGBJOJKVQFAO-UHFFFAOYSA-N 316.401 2.257 0 40 DEAB Cc1nn(C)c(C)c1CNC(=S)NCCc1ccccc1 8490515 WZKKDPQDUKAXLE-UHFFFAOYSA-N 302.447 2.244 0 40 DEAB C[C@H](Cc1ccc(Cl)cc1Cl)NC(=O)[C@@H](C)NC(N)=O 69771006 INIJHXMYMRBYEH-HTQZYQBOSA-N 318.204 2.097 0 40 DEAB Fc1ccc(-c2nnc(CN3CCc4cncnc4C3)o2)cc1 69873000 AWCKYVKLPOYREW-UHFFFAOYSA-N 311.320 2.224 0 40 DEAB Cc1nc([C@@H](NC(=O)c2ccc(C)n2C)c2ccccc2)n[nH]1 69844814 LJQJJQOLGCILPT-HNNXBMFYSA-N 309.373 2.279 0 40 DEAB CN(C)c1ncnc2c1CN(Cc1cccc(F)c1F)CC2 97201845 WNFDVBVFDKWXCL-UHFFFAOYSA-N 304.344 2.379 0 40 DEAB O=C(Cn1ncc2ccccc2c1=O)NCCC1=CCCCC1 8944801 BQCMVQINTGDNFH-UHFFFAOYSA-N 311.385 2.403 0 40 DEAB O=C(Cc1ccc(O)cc1)NCCc1nc(-c2ccccc2)n[nH]1 97095784 PKOCBOXWZXLPDL-UHFFFAOYSA-N 322.368 2.079 0 40 DEAB O=C1C[C@@]2(CCc3ccccc32)C(=O)N1Cc1nc(C2CC2)no1 97080288 JDQHBYMOXKLPDS-GOSISDBHSA-N 323.352 2.090 0 40 DEAB Cn1cccc(NC(=O)c2ccc3nc(S)oc3c2)c1=O 73609674 AJNPSKLQRYOOMQ-UHFFFAOYSA-N 301.327 2.068 0 40 DEAB CCN1CCO[C@H](C(=O)Nc2cc(C(C)C)c(O)cc2C)C1 95972501 KJSANIAWDWILBX-INIZCTEOSA-N 306.406 2.483 0 40 DEAB CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC[C@H](N)C2)n1 95971571 BCKSLRWEWJDGLS-NSHDSACASA-N 314.389 2.207 0 40 DEAB O=C(O[C@@H]1CCS(=O)(=O)C1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 95975336 GKQJANFPLAMREN-IGQOVBAYSA-N 300.420 2.323 0 40 DEAB Cc1ccc2cc(C(=O)Nc3ccc(C(N)=O)nc3)ccc2n1 95975760 YEJFIFDFLGXBRI-UHFFFAOYSA-N 306.325 2.289 0 40 DEAB O=C(CN1CCCCCCC1=O)OC[C@H]1Cc2ccccc2O1 95966385 FBZPFKFYQFTZBN-OAHLLOKOSA-N 317.385 2.326 0 40 DEAB C[C@H]1CC[C@H](C(=O)NCc2ccn(-c3ccc(F)cc3)n2)O1 95979826 HUYLZQRRHONJAB-XHDPSFHLSA-N 303.337 2.195 0 40 DEAB O=C(CCc1ccc(F)cc1)N1CCCN(C(=O)C2CC2)CC1 75017035 JOXGIHMLUUIWRG-UHFFFAOYSA-N 318.392 2.229 0 40 DEAB CCS[C@H]1CCCC[C@@H]1Nc1ncc(S(N)(=O)=O)s1 75105370 PUWLGPOKNJFWOY-IUCAKERBSA-N 321.493 2.267 0 40 DEAB Cc1ccc(NC(=O)NCc2cccnc2-n2cncn2)s1 75409812 RZKYZJNGFMDJTD-UHFFFAOYSA-N 314.374 2.354 0 40 DEAB CC(C)(C)c1ncc(CNC[C@H]2CCc3nncn3C2)s1 75605500 BWHFLEDXJVYZRD-LLVKDONJSA-N 305.451 2.384 0 40 DEAB NCc1nocc1C(=O)NC1(c2c(F)cccc2F)CCC1 1548575582 FYQSNXSIVBSMAN-UHFFFAOYSA-N 307.300 2.221 0 40 DEAB CCOCC[C@@H]1CN(Cc2c(C)noc2C)Cc2ccnn21 306142879 XNDRUXZOWGUNGX-OAHLLOKOSA-N 304.394 2.471 0 40 DEAB Cn1c(CN2CCCCC2)cc(=O)c(O)c1CN1CCCCC1 79194190 QYEFMQHDYHFVOM-UHFFFAOYSA-N 319.449 2.063 0 40 DEAB biogenic Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)ccc1F 225607770 UQVABHUHCALNEG-ZIAGYGMSSA-N 301.383 2.058 0 40 DEAB COc1ccc(CC(=O)N2CCC(c3nc(C)no3)CC2)cc1 41121737 DWIOAFXQEUCPLH-UHFFFAOYSA-N 315.373 2.335 0 40 DEAB Cc1cc(C(=O)NC[C@H](O)c2ccc3c(c2)CCO3)c(C)o1 85558913 XCWMOAFZPCRHJP-HNNXBMFYSA-N 301.342 2.295 0 40 DEAB Cc1cc(NC(=O)C(=O)NCC(C)C)ccc1Br 42646153 YRKZMCINTGSJFJ-UHFFFAOYSA-N 313.195 2.468 0 40 DEAB COc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)ncn1 178799770 IAHQFVIAMLMRSE-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB O=C(N[C@H]1CCC[C@@H](C(=O)NC2CC2)C1)c1cc(F)ccc1O 80028526 KAGSZRWBGGFKSD-MFKMUULPSA-N 320.364 2.099 0 40 DEAB CO[C@@H](C)CS(=O)(=O)Nc1cccc(C(C)(C)C)c1O 193343778 FCJRGYRZOOWQSG-JTQLQIEISA-N 301.408 2.466 0 40 DEAB CCn1c(=O)sc2cc(S(=O)(=O)NC(C)(C)C)ccc21 225686157 AXGQKPWLVCEXSE-UHFFFAOYSA-N 314.432 2.160 0 40 DEAB Cc1nc2c([nH]1)CC[C@@H](C(=O)NCCc1ccc(F)cc1)C2 225518838 RQHWYKLNLBDLAU-CYBMUJFWSA-N 301.365 2.321 0 40 DEAB COc1ccccc1-n1cc(I)cn1 199787129 XWMYNZGYNJUBLF-UHFFFAOYSA-N 300.099 2.486 0 40 DEAB Cc1ccc(CCNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cn1 96421562 ODJVYKZZDUHVJO-KFWWJZLASA-N 303.406 2.045 0 40 DEAB CO[C@H]1CCN(C2CCC2)[C@@H]2CN(Cc3cccnc3)C[C@H]12 96109478 DLDGENYHUJEZMN-KSZLIROESA-N 301.434 2.155 0 40 DEAB CC(C)c1nc(C(=O)O[C@H]2CCOC2)nn1-c1cccc(F)c1 96410818 WNHKMKKOMXLODD-ZDUSSCGKSA-N 319.336 2.476 0 40 DEAB C[C@H]1CCCCN1C(=O)COCc1nc(-c2ccncc2)no1 96182038 XVKSTSNNCDVWMT-LBPRGKRZSA-N 316.361 2.049 0 40 DEAB O=C(CCNC(=O)N1C[C@@H]2CC=CC[C@H]2C1)NC1CCCC1 96439388 FSVRKSUNLXSZBP-KBPBESRZSA-N 305.422 2.043 0 40 DEAB CN1CCC[C@@H](CNC(=O)c2cc[nH]n2)[C@@H]1c1cccs1 96423078 USPNYDKQFHOGAP-SMDDNHRTSA-N 304.419 2.284 0 40 DEAB c1cnc(N2CCCC3(CCN(C4CCOCC4)CC3)C2)nc1 96158548 WOMQMZRJAWLFDF-UHFFFAOYSA-N 316.449 2.338 0 40 DEAB CCc1cnc(NC(=O)N[C@@H](CO)Cc2ccccc2)s1 97099227 AERCMTUOHORJGW-GFCCVEGCSA-N 305.403 2.431 0 40 DEAB Cc1cc(S(=O)(=O)N(C[C@@H](C)O)c2ccccc2)c(C)o1 96493882 UARPPGRWDZZENB-LLVKDONJSA-N 309.387 2.473 0 40 DEAB CS(=O)(=O)c1ccccc1N[C@@H]1c2ccccc2C[C@@H]1O 91431482 AXOGLZXHZHUTGE-GOEBONIOSA-N 303.383 2.160 0 40 DEAB CCN1C[C@@H](COC)[C@]2(CCN(C(=O)c3cc(C)oc3C)C2)C1 96216516 RHUZUIDHMRDZGS-MAUKXSAKSA-N 320.433 2.327 0 40 DEAB Cc1nc(Cc2noc([C@](C)(O)CCc3ccccc3)n2)no1 252497484 QJCNLINQTACBDL-MRXNPFEDSA-N 314.345 2.192 0 40 DEAB Cc1cc(N(C)C)cc([C@H]2CN(Cc3[nH]cnc3C)CCO2)n1 257308697 TXTHTTDHUUAMQR-QGZVFWFLSA-N 315.421 2.061 0 40 DEAB CO[C@H]1CCN(C(=O)CCc2ccccc2)C[C@@]12CCCO2 257259259 KXNQBUFXXDYTSZ-WMZOPIPTSA-N 303.402 2.416 0 40 DEAB Cc1ccc(CC(=O)N2CCO[C@H](c3cccc(N)n3)C2)s1 257234499 GTUPCVJRWCVYJR-AWEZNQCLSA-N 317.414 2.176 0 40 DEAB CN(Cc1ncc[nH]1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 257231838 GIIZAVGZJHVVQN-VYDXJSESSA-N 301.390 2.203 0 40 DEAB c1cnc(OCC[C@@H]2CCOC3(C2)CN(C2CCC2)C3)cn1 253588857 VZHSLHDTNIQTHB-CQSZACIVSA-N 303.406 2.279 0 40 DEAB CCCC(=O)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 575404663 SYSSFXDTVQQPQP-AWEZNQCLSA-N 304.390 2.268 0 40 DEAB CCc1c(C(=O)Nc2ccnc3ccnn23)[nH]c(C)c1C(C)=O 71888815 QJCHSUMTDPISMC-UHFFFAOYSA-N 311.345 2.383 0 40 DEAB CCCS(=O)(=O)NCc1ccc(OC[C@@H]2CCCO2)cc1 57006285 UNNCVYVTHSDMHA-HNNXBMFYSA-N 313.419 2.074 0 40 DEAB O=C(CCN1CCN(c2ccccc2F)CC1)NC1CCCC1 60460271 KTMXSGPWUZGDNK-UHFFFAOYSA-N 319.424 2.397 0 40 DEAB CC(C)(O)CSCCNC(=O)N1CCc2ccccc2C1 74761119 MAHPACYSLNRLFZ-UHFFFAOYSA-N 308.447 2.258 0 40 DEAB O=C(c1ccncc1Cl)N1CCC(O)(C(F)(F)F)CC1 89950139 JXPHUGZIDJOQRR-UHFFFAOYSA-N 308.687 2.264 0 40 DEAB CCOC(=O)c1c(NC(=O)c2nc[nH]n2)sc2ccccc12 5474332 MWYHTDBVPQTEBP-UHFFFAOYSA-N 316.342 2.448 0 40 DEAB CCOC(=O)[C@H](C)n1ncc2c3sc(C)cc3n(C)c2c1=O 12113512 XVJXJNXPDHHACJ-VIFPVBQESA-N 319.386 2.382 0 40 DEAB O=C(c1cccs1)N1CCC(n2nnc3cccnc32)CC1 12336893 FHMOIYZYEOXBOJ-UHFFFAOYSA-N 313.386 2.365 0 40 DEAB COCCn1nnnc1[C@@H](c1cccs1)N1CCC[C@@H](C)C1 19496479 OATLDGDCDDIIFS-TZMCWYRMSA-N 321.450 2.202 0 40 DEAB O=c1cccc2n1C[C@H]1C[C@H]2CN(c2cnc3ccccc3n2)C1 1888904387 LXWBLWWLLPUZMC-KBPBESRZSA-N 318.380 2.415 0 40 DEAB CC(=O)c1c[nH]c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c1 14484344 UWLAEZFJPIUQST-VIFPVBQESA-N 300.314 2.437 0 40 DEAB Nc1nnc(SCC(=O)Nc2cc(F)ccc2F)s1 7534591 JYCJNGRNPREJMS-UHFFFAOYSA-N 302.331 2.129 0 40 DEAB O=C(CSc1ccccc1)Nc1ccc2c(c1)C(=O)NC2=O 4496661 NAEPWSCMUMVBNC-UHFFFAOYSA-N 312.350 2.301 0 40 DEAB COc1ccc2c(c1O)[C@]13CCN(C)[C@H](C2)[C@@H]1CCC(=O)C3 4777938 CDGFTOARGCEWKI-IYOUNJFTSA-N 301.386 2.268 0 40 DEAB in-vitro COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)c1 13154767 HQEHIMYMQAMNDY-JLUCKKNBSA-N 311.337 2.175 0 40 DEAB CSCC[C@H](O)CNC(=O)NC12CC3CC(CC(C3)C1)C2 1775967276 KPLLTHHBONKRSC-IXUJDMMCSA-N 312.479 2.368 0 40 DEAB COc1cccc(N2CN(Cc3cccnc3)CNC2=S)c1 20188573 QQASYCJJFBEWQN-UHFFFAOYSA-N 314.414 2.202 0 40 DEAB CC[C@H]1CN(C(=O)c2ccn(-c3ccc(F)cc3)n2)CCO1 30848242 CEXQXYMXZVAGJW-AWEZNQCLSA-N 303.337 2.262 0 40 DEAB O=C(c1ccccc1)[C@@H](O)[C@H](c1ccccc1)N1CCOCC1 20390226 NXSMGELJGPPCGV-HKUYNNGSSA-N 311.381 2.304 0 40 DEAB O=C(c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 135858 WZQMTTDANZJQHC-UHFFFAOYSA-N 302.765 2.092 0 40 DEAB Cc1cccc(N2C(=O)/C(=C\NCCO)c3ccccc3C2=O)c1 101189146 GVUDZBUQGYPDCB-ATVHPVEESA-N 322.364 2.105 0 40 DEAB Cc1cc(NC(=O)c2nn(C)cc2C(=O)O)c2ccccc2n1 20614443 NPUKCDBMKRHNRB-UHFFFAOYSA-N 310.313 2.227 0 40 DEAB CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccccc2)CC1 32205612 GCEIGOQTLRKBJP-HNNXBMFYSA-N 306.406 2.273 0 40 DEAB COc1ccc([C@H](CC(=O)Nc2ccccn2)NC(C)=O)cc1 21383671 ZAAZUOZRGCNZIV-HNNXBMFYSA-N 313.357 2.296 0 40 DEAB Cc1ccc(CNC(=O)NCCCN2C[C@H](C)O[C@H](C)C2)cc1 32754951 ULESJMKZLNNFQR-IYBDPMFKSA-N 319.449 2.294 0 40 DEAB Cc1noc(C(C)C)c1C(=O)Nc1ccc2c(c1)C(=O)NC2=O 32747890 AFVDYNMVGVLVKI-UHFFFAOYSA-N 313.313 2.242 0 40 DEAB COc1ccc(CCCNC(=O)N[C@@H]2CCCN(C)C2)cc1 52560256 YNMHFMWIWSAKRA-OAHLLOKOSA-N 305.422 2.021 0 40 DEAB C[C@H]1C(=O)N(CC(=O)c2cccn2C)C(=O)N1c1ccccc1 21931853 OKTXXBIDROVPMG-LBPRGKRZSA-N 311.341 2.065 0 40 DEAB CC1=C(C(=O)N(C)C)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 555743 MIOWSXPWSCRRPU-GFCCVEGCSA-N 309.822 2.221 0 40 DEAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)Cc1ccsc1 22185384 KQKSSESHYHETMC-UHFFFAOYSA-N 319.411 2.247 0 40 DEAB CC(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)n(C)c1 42060240 SIEIMXOUIYEBEA-JTQLQIEISA-N 314.341 2.447 0 40 DEAB COc1ccc(Br)cc1[C@@H]1N[C@H](C(=O)O)CS1 205153 XIIXYYUMGBJWCR-WCBMZHEXSA-N 318.192 2.246 0 40 DEAB NC(=O)CCCNC(=O)CCc1ccc(-c2ccccc2)o1 42926985 GEICVGQKEJWVCK-UHFFFAOYSA-N 300.358 2.261 0 40 DEAB O=C(c1cnns1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 47623514 CGFURASNMZUAJG-LLVKDONJSA-N 317.370 2.287 0 40 DEAB C[C@H]1C[C@H](N2CCN(C(=O)CCC3CCCCC3)CC2)C(=O)O1 77387399 FSCALDVHAIFVCQ-HOCLYGCPSA-N 322.449 2.195 0 40 DEAB CCC(=O)N1CC[C@H](NCc2cnc3cc(C)ccn23)[C@H](C)C1 78897603 UZCZOMGKMSSBOO-ZBFHGGJFSA-N 314.433 2.379 0 40 DEAB CN(C)[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 2698071 ZBEBPBULZOLKDQ-SNVBAGLBSA-N 304.268 2.049 0 40 DEAB COc1ccc(C)cc1[C@H](O)CN[C@@H](C)[C@H](C)n1cccn1 106845443 BJEXIBCHNMWLJF-OFQRWUPVSA-N 303.406 2.473 0 40 DEAB Cc1cccn2c3c(c(=O)nc12)[C@H](c1ccccc1)CC(=O)N3 1431796 PDJKMPXLHNBBQX-ZDUSSCGKSA-N 305.337 2.477 0 40 DEAB NC(=O)C1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1 26897968 FWOLLOCWHNKTNY-UHFFFAOYSA-N 303.337 2.178 0 40 DEAB O=Cc1cnc(NS(=O)(=O)c2cccc3ccccc23)nc1 8701483 OHWJWSWYRZEZJS-UHFFFAOYSA-N 313.338 2.243 0 40 DEAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NC1=NCCS1 44872209 YPNQNDHTPXMJMB-AWEZNQCLSA-N 315.398 2.170 0 40 DEAB C[C@H](NC(=O)Cc1csc(-c2ccccn2)n1)[C@@H]1CCCO1 27879063 VVWVPGFSBMVBLK-FZMZJTMJSA-N 317.414 2.431 0 40 DEAB COc1ccc(Cl)cc1NCCC(=O)NC[C@@H](C)N(C)C 58342304 JXKWGSIIGVCHJR-LLVKDONJSA-N 313.829 2.217 0 40 DEAB COC(=O)c1ccc(C)c(NCC(=O)Nc2cc(C)on2)c1 12517447 ONHAWQYTYJXPAP-UHFFFAOYSA-N 303.318 2.129 0 40 DEAB CC(C)NC(=O)COC(=O)Cc1ccc(C(F)(F)F)cc1 58451166 MDLUALMKKGBNPW-UHFFFAOYSA-N 303.280 2.316 0 40 DEAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)COc1ccccc1F 58416390 HNRKEHVJUKFVEI-GFCCVEGCSA-N 320.412 2.491 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@H]2Cc3ccccc3O2)no1 46875707 MVCCVGCEZLRUFJ-CQSZACIVSA-N 301.346 2.128 0 40 DEAB CN1C[C@H](NC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)CCC1=O 110614999 IAMWTDHGDGDSRX-HZSPNIEDSA-N 321.808 2.116 0 40 DEAB CCCCC(=O)Nc1nnc(S(=O)(=O)CCCC)s1 9172033 KKWKGMFPEJYBAT-UHFFFAOYSA-N 305.425 2.241 0 40 DEAB CN(Cc1ccc(F)cc1)C(=O)c1n[nH]c(=O)c2ccccc12 14135735 RZEGCDAJFMHQQC-UHFFFAOYSA-N 311.316 2.334 0 40 DEAB CCCn1c(SCc2cn3cccc(C)c3n2)n[nH]c1=O 6609899 WFDJIKJKSCYZAB-UHFFFAOYSA-N 303.391 2.230 0 40 DEAB O=C(O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19790420 YCKSFFKKEWTLIZ-UHFFFAOYSA-N 310.397 2.478 0 40 DEAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(C)c2C)C1=O 409106364 LPAXVBAPEZPBMA-QVIVLVACSA-N 322.386 2.240 0 40 DEAB NC(=O)c1ccc(OCC(=O)N2CCC[C@H]3CCCC[C@@H]32)cc1 7467593 DYXNCPRNNPCLGW-CJNGLKHVSA-N 316.401 2.346 0 40 DEAB CC(=O)Nc1cccc(COC(=O)[C@@H]2C[C@@H]2c2cnn(C)c2)c1 71859304 WDLFUUPXRVMSSY-HZPDHXFCSA-N 313.357 2.225 0 40 DEAB Cc1cnn(CC(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)c1 71821596 HSAUNZZIUDKFPP-OAHLLOKOSA-N 319.792 2.445 0 40 DEAB CC1=C(C)C[C@H](C(=O)Nc2sccc2C(N)=O)[C@@H](C(=O)O)C1 17056029 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O=C(OCCN1CCCCC1=O)c1c[nH]nc1-c1ccccc1 97147466 NOOXYRFHSCPOAC-UHFFFAOYSA-N 313.357 2.246 0 40 DEAB COCc1ccc([C@H]2CCCN2C(=O)NCc2nc(C)no2)o1 97148184 HLCLZSMEZZJRPZ-GFCCVEGCSA-N 320.349 2.164 0 40 DEAB O=C(NCc1ccc(-n2ccnc2)nc1)[C@H]1CC1(Cl)Cl 97110102 GXHRTJBXTKHVEQ-SNVBAGLBSA-N 311.172 2.077 0 40 DEAB O=C(Cn1ncc2ccccc21)NCc1cccc(C(=O)O)c1 97228662 YCXSELMDVDOLNJ-UHFFFAOYSA-N 309.325 2.051 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2N=CO[C@@H]2c2ccccn2)cc1 95698939 YBLIGQCCDDTNMG-HUUCEWRRSA-N 302.355 2.290 0 40 DEAB O=C(NCc1cn(-c2ccccc2)nn1)c1ccc2[nH]cnc2c1 88464841 GPBHGVMWTHJMAF-UHFFFAOYSA-N 318.340 2.074 0 40 DEAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCCc1ccc(O)cc1 95427487 NNFLZAHRMBMQSI-NSHDSACASA-N 301.390 2.270 0 40 DEAB C[C@H]1CC[C@@H](CO)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 95444611 CNXHFNCFSWHWNI-LFHSMUGYSA-N 303.358 2.048 0 40 DEAB O=C(CSCc1cn(-c2ccc(Cl)cc2)nn1)NC1CC1 95428152 WBEMGIZCJNPGPN-UHFFFAOYSA-N 322.821 2.433 0 40 DEAB Cc1cccnc1CNC(=O)NC[C@H]1CC(=O)Nc2ccccc21 95408167 QITMDDUDYKCAQC-CYBMUJFWSA-N 324.384 2.315 0 40 DEAB O=C(NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)C1(O)CCSCC1 95979537 PLMFBNIAVVOSMC-XHSDSOJGSA-N 317.454 2.337 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)COc1cccnc1 75131742 CNLSVSDWUSBKES-OAHLLOKOSA-N 314.389 2.174 0 40 DEAB CC(=O)Nc1ccc(/C=C/C(=O)N[C@@H](C)c2noc(C)n2)cc1 89718088 GUKKWMWMHKUQCK-ZKXNXJMVSA-N 314.345 2.227 0 40 DEAB CO[C@@H](C)c1nc(CN2C(=O)[C@H]3CCCCN3C2=O)cs1 89913566 OQJTUBSHNAAESH-GXSJLCMTSA-N 309.391 2.167 0 40 DEAB C[C@@H]1CCCN(c2ccccc2OS(=O)(=O)c2c[nH]cn2)C1 76018125 IPRWUMAYQBGNGR-GFCCVEGCSA-N 321.402 2.414 0 40 DEAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)C2=NNC(=O)CC2)C2CC2)o1 65624799 MTIIJTUEOLUWKB-GXFFZTMASA-N 315.373 2.160 0 40 DEAB CN(C)c1c[nH]ccc1=NC(=O)N(Cc1ccoc1)C1CC1 1548453367 KSTORWFMIIQQJP-UHFFFAOYSA-N 300.362 2.359 0 40 DEAB O=C(Nc1ccc(Cn2cncn2)cc1)c1c(O)cccc1F 127102904 WHXATEOCVRBZQV-UHFFFAOYSA-N 312.304 2.423 0 40 DEAB CC(C)N(C[C@H]1CCN(CC(=O)O)C1)C(=O)OC(C)(C)C 79410660 NSJSSFFLODZPPD-LBPRGKRZSA-N 300.399 2.038 0 40 DEAB CCOC(=O)N(Cc1ccccc1)C[C@@H]1CCS(=O)(=O)C1 217368197 WXLYULLGABMCJA-AWEZNQCLSA-N 311.403 2.080 0 40 DEAB COc1ccc(CN2CCC(CNC(=O)NC3CC3)CC2)cc1 63321176 IIPHREUBXKIVSC-UHFFFAOYSA-N 317.433 2.369 0 40 DEAB C[C@H](C(=O)N1CCN(C2=NC[C@@H](C)S2)CC1)c1ccsc1 73119368 GHLABCARQBKFKG-NEPJUHHUSA-N 323.487 2.487 0 40 DEAB CC(C)OCc1cccc(NC(=O)N(C)Cc2ncnn2C)c1 72940388 HUWKFVHZXYCBRX-UHFFFAOYSA-N 317.393 2.404 0 40 DEAB CCCN(C)C[C@@H]1CCN(c2ncc(Br)cn2)C1 78563068 AUFXYIPFGIUVNB-NSHDSACASA-N 313.243 2.407 0 40 DEAB COc1ccccc1-c1nnc([C@H]2CCN(C(=O)C3CC3)C2)o1 49170944 PMGLZBPNSUVWED-LBPRGKRZSA-N 313.357 2.471 0 40 DEAB biogenic,in-vitro Cc1noc(C2CN(C(=O)c3cncc(C(F)(F)F)c3)C2)n1 568329492 SUQXGPWKWSKECZ-UHFFFAOYSA-N 312.251 2.031 0 40 DEAB C[C@@H](Cn1cccn1)OC(=O)c1cncc(Br)c1 83793783 LEIRBSVRIFXYEL-VIFPVBQESA-N 310.151 2.286 0 40 DEAB O=C(c1cccc(NCc2ccsc2)n1)N1CCC[C@@H]1CO 190079724 OVOLWRINWBKZEU-CYBMUJFWSA-N 317.414 2.352 0 40 DEAB C[C@@H]1CCN(CC(O)CN2CCS[C@H](C)CC2)CCS1 225573658 ARPAVGMBSCVJNS-ZIAGYGMSSA-N 318.552 2.002 0 40 DEAB Cc1ccc2c(c1)NC(=O)[C@@](C)(C(=O)NCC1CCCC1)O2 41548079 VQZSNXTUBBVDEN-QGZVFWFLSA-N 302.374 2.391 0 40 DEAB Cc1cccc(CCC(=O)N2CC[C@H](Oc3cnccn3)C2)c1 225795563 BMQZYWJWMMEQMZ-INIZCTEOSA-N 311.385 2.398 0 40 DEAB Cc1cc(N(C)C)nc(CNC(=O)c2ccc(F)cc2F)n1 224187297 DBGSIVDYGJRKDT-UHFFFAOYSA-N 306.316 2.059 0 40 DEAB CN(C)c1nc(N)nc(CN(C)c2cccc3ccccc23)n1 83188972 GIARFJSWNYTPMO-UHFFFAOYSA-N 308.389 2.309 0 40 DEAB Cc1cccc(CO[C@H]2CO[C@@]3(CCN(C(=O)C4CC4)C3)C2)n1 96107796 MVRLMWWEYLELJL-AEFFLSMTSA-N 316.401 2.077 0 40 DEAB CC[C@H](C(=O)NCc1cn(C)nc1-c1ccccc1)N(C)C 96501420 WIIMFSAWQXNTGA-OAHLLOKOSA-N 300.406 2.044 0 40 DEAB Cc1cccc([C@@H]2C[C@@H]2C(=O)NC[C@H](O)COCC2CC2)c1 95407016 SHMQUTYHNBPHSD-ULQDDVLXSA-N 303.402 2.002 0 40 DEAB Cc1cc(=O)[nH]c(CSc2nnc(-c3ccccc3)n2C)n1 96474447 YZTSKQZMSFUIPO-UHFFFAOYSA-N 313.386 2.166 0 40 DEAB Cc1ccnn1-c1ccccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 97372921 KGYIXPXKLGGJKP-UONOGXRCSA-N 312.373 2.239 0 40 DEAB CC[C@@H](NC(=O)C1CC1)[C@H]1CN(Cc2ccccc2)CCO1 96473762 CKSYGRLVRLSPFH-IAGOWNOFSA-N 302.418 2.192 0 40 DEAB O=C(c1ccoc1)N1CCC2(CC1)CCN(CC1CC1)C2=O 96046881 ZIIBLPGJMSBWBC-UHFFFAOYSA-N 302.374 2.144 0 40 DEAB Cc1ccc(CN2CCc3onc(C(=O)N4CCCC4)c3C2)o1 96254340 UMDHPTNBJGLQTO-UHFFFAOYSA-N 315.373 2.370 0 40 DEAB c1ccc(CN2CC3(C[C@H](Oc4cnccn4)CCO3)C2)cc1 248091805 HFTGVZWRZRFYGJ-MRXNPFEDSA-N 311.385 2.289 0 40 DEAB Cc1ccc(C2=NO[C@H](CNC(=O)[C@@H]3CCCOC3)C2)cc1C 252481819 CTFQANXSMFBMIP-CVEARBPZSA-N 316.401 2.339 0 40 DEAB Cc1cccc2nc(C(=O)N3CCC[C@@H](c4cnccn4)C3)cn12 257318227 VNAHMODNDSESIL-CQSZACIVSA-N 321.384 2.453 0 40 DEAB c1ccc(CO[C@H]2CN(Cc3ncc[nH]3)C[C@@]23CCCO3)cc1 257332537 XXSHHLWARIRGMF-WMZOPIPTSA-N 313.401 2.360 0 40 DEAB O=C(C1CCC(F)(F)CC1)N1CCC2(CC1)OCCC[C@H]2O 257201143 AGMIGRHLEZXDTL-CYBMUJFWSA-N 317.376 2.344 0 40 DEAB Cn1cc(-c2noc(CNC(=O)c3ccccc3Cl)n2)cn1 390828249 ANYJYYWSWVYGCI-UHFFFAOYSA-N 317.736 2.054 0 40 DEAB CCc1ccc(NC(=O)NC2CCS(=O)(=O)CC2)cc1C 390835558 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COc1ccc(C)cc1NC(=O)C(=O)NCc1ccc(F)cc1 5250864 SEKOWVZBBXADAC-UHFFFAOYSA-N 316.332 2.398 0 40 DEAB CCCCOc1ccc(NC(=O)N2C[C@H]3C[C@H]2C(=O)O3)cc1 101453420 PJRHIAZPJIWVMU-KGLIPLIRSA-N 304.346 2.397 0 40 DEAB Cc1nnc(NC(=O)c2c[nH]c3ccc(F)cc3c2=O)s1 13683301 UINOGWOIYDLAES-UHFFFAOYSA-N 304.306 2.079 0 40 DEAB CCO[C@H]1C[C@@H](O)C12CCN(c1nc(C(C)C)ns1)CC2 96455800 DTGVKFVTQUFWEG-NEPJUHHUSA-N 311.451 2.418 0 40 DEAB CNC(=O)Cc1ccccc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 40526992 RWQIDYQKQPWZIK-BETUJISGSA-N 303.406 2.485 0 40 DEAB Cc1cc(N2CCN(C(=O)c3cc(C)oc3C)CC2)nc(C)n1 52488356 MVIJAQZCIWTOHH-UHFFFAOYSA-N 314.389 2.266 0 40 DEAB O=C(Nc1ccc(C(=O)NCC(F)(F)F)cc1)NC1CC1 32979344 PHNMFEHDEZLGEC-UHFFFAOYSA-N 301.268 2.263 0 40 DEAB CCn1nnc2cc(C(=O)NC[C@H]3Cc4ccccc4O3)ccc21 33112530 HRPAVNDGJQFDEQ-CQSZACIVSA-N 322.368 2.185 0 40 DEAB Cc1ccc(CCC2CCN(CCC(=O)NC(N)=O)CC2)cc1 22065740 CYZYPAJAMJMKNZ-UHFFFAOYSA-N 317.433 2.225 0 40 DEAB CCc1nnsc1C(=O)N1CCN(c2cccc(C)c2)CC1 22697884 LKBKWSVIFXITLK-UHFFFAOYSA-N 316.430 2.371 0 40 DEAB O=C1N=C(N2CCOCC2)S/C1=C/c1c[nH]c2ccccc12 503600 GUPLQUHBDPWQOU-NTEUORMPSA-N 313.382 2.470 0 40 DEAB CC(=O)Nc1nc(C(=O)N2c3ccnn3[C@H](C)C[C@H]2C)cs1 78877033 HEUUYUKHRYGYTQ-RKDXNWHRSA-N 319.390 2.298 0 40 DEAB C[C@@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1cccs1 24985736 PIXUMCFBKJTRNI-VIFPVBQESA-N 323.443 2.368 0 40 DEAB Cc1nc([C@H]2COCCN2C(=O)Cc2cccc(Cl)c2)no1 96000936 MERQDFNQDWHFJN-CYBMUJFWSA-N 321.764 2.174 0 40 DEAB CCNC(=O)COc1ccc(NC(=O)CCc2ccco2)cc1 25652416 YMDYZNKFHWCFPL-UHFFFAOYSA-N 316.357 2.366 0 40 DEAB O=C(Nc1nn2c(-c3ccco3)nnc2s1)c1ccco1 6818086 BJEJQTQEAXQNBT-UHFFFAOYSA-N 301.287 2.291 0 40 DEAB CC1CCC2(CC1)OC[C@@H](CNCc1cc(C(N)=O)cs1)O2 95991144 PWGGDLDVJPAEMM-RYCVTPFZSA-N 324.446 2.258 0 40 DEAB CN(Cc1cnccn1)C(=O)Nc1cnn(Cc2ccccc2)c1 72543061 AVLRVFKTUUCQDJ-UHFFFAOYSA-N 322.372 2.385 0 40 DEAB Cc1cc(CN(C)C(=O)NC[C@H](c2ccsc2)N(C)C)no1 44969378 CEFRJELRBSSUBS-CQSZACIVSA-N 322.434 2.489 0 40 DEAB CC(C)=CC(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 58357366 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Cc1cnn(C[C@H]2CCCN2Cc2nc(-c3ccccn3)no2)c1 70040081 FIVBGJBIZRWFRX-CQSZACIVSA-N 324.388 2.301 0 40 DEAB CCCNC(=O)[C@H](C)NC(=O)CCC(=O)c1ccc(C)s1 8315580 PTHBYXFSXQWSCN-NSHDSACASA-N 310.419 2.050 0 40 DEAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(F)c(F)c2)nc1 69440655 PFYOBMWBLBGVEK-UHFFFAOYSA-N 319.311 2.427 0 40 DEAB Cc1oc(-c2cccs2)nc1COC(=O)[C@H]1CCC(=O)O1 84056795 LZMYKLBNIKATHT-SNVBAGLBSA-N 307.327 2.460 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2ccccc2N2CCOCC2)c1 69582941 WUKPCAFDDJQLPE-MRXNPFEDSA-N 314.433 2.206 0 40 DEAB CC(C)c1nnc2n1CCN(CC[S@@](=O)c1ccccc1)C2 69659044 JKAPUODGIHBEHI-QFIPXVFZSA-N 318.446 2.025 0 40 DEAB O=C(/C=C/c1ccco1)NCC1(N2CCCCC2)CCOCC1 69774930 YMBIPQSZGKGCHJ-VOTSOKGWSA-N 318.417 2.444 0 40 DEAB CCN1CCN(C[C@H](C)CNC(=O)c2ccc(C)c(C)c2)CC1 69778377 QQGYEYRJPKVMQA-OAHLLOKOSA-N 317.477 2.307 0 40 DEAB Cc1nc(NC(=O)CN2CCC[C@@H]2c2cnn(C)c2)sc1C 69968262 HWKBNUWOAQGSIF-CYBMUJFWSA-N 319.434 2.269 0 40 DEAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1ccc[n+]([O-])c1 95954363 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DEAB CCOC1(C)CCN(C(=O)N[C@@H]2Cc3ccccc3[C@H]2N)CC1 1551536147 PZWQJDZMRWFGEP-HZPDHXFCSA-N 317.433 2.212 0 40 DEAB CC(C)CC(=O)N1CC2(C1)OCC[C@@H]2COc1cccnc1 306144639 ZKSCEVVJURMPRU-CQSZACIVSA-N 304.390 2.124 0 40 DEAB O=C(O)CCc1cncc([C@H]2CN(c3ccccc3)CCO2)n1 72382783 NOBYBWZATWOELR-MRXNPFEDSA-N 313.357 2.072 0 40 DEAB COC(=O)[C@]1(C)CCCN1C(=O)CCc1ccccc1OC 187631541 MITIGGYVJSSHIZ-KRWDZBQOSA-N 305.374 2.182 0 40 DEAB COc1cccc(-c2ccc(C[C@H]3NCCN(C)C3=O)cc2)c1 72352845 KJMDNVOGFXXVQE-GOSISDBHSA-N 310.397 2.335 0 40 DEAB O=C(Cn1cc(-c2ccccc2)ncc1=O)NC1CCCCC1 72403363 IJNBRJHEHWEVDC-UHFFFAOYSA-N 311.385 2.359 0 40 DEAB CN(C(=O)c1cccs1)[C@@H]1CCCC[C@H]1S(C)(=O)=O 76497943 CNQGDZOARYEOQE-ZYHUDNBSSA-N 301.433 2.176 0 40 DEAB O=C(O)C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 34936194 QIZDEZGNDHBFDK-NSHDSACASA-N 317.794 2.358 0 40 DEAB CC(C)N(CC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 79392400 JAYFTEVZYRJWOF-UHFFFAOYSA-N 300.399 2.181 0 40 DEAB COC(=O)C1CCN(C(=O)[C@H](C)Oc2cc(C)cc(C)c2)CC1 219544960 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C[C@@H]1CN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CCO1 54214960 GQOOWIPORBVVBI-GFCCVEGCSA-N 319.792 2.446 0 40 DEAB COc1ccc(CN2CCC(N3CCCC3=O)CC2)cc1F 104729806 IEOQIUNYQIMRDW-UHFFFAOYSA-N 306.381 2.421 0 40 DEAB CCN(CC)C(=O)CCC(=O)Nc1ccc(C(C)(C)C)nn1 79069919 SNXLEINRVRWYLA-UHFFFAOYSA-N 306.410 2.361 0 40 DEAB C[C@H](C(=O)Nc1sccc1C(N)=O)N(C)Cc1cccs1 24985731 PIXUMCFBKJTRNI-SECBINFHSA-N 323.443 2.368 0 40 DEAB COC(=O)/C=C/c1ccc(NC(C)=O)c(/C=C/C(=O)OC)c1 3844942 WNNSDNUZGNDTDH-XVYDYJIPSA-N 303.314 2.017 0 40 DEAB Cc1ccc(CN(C)c2cc(N3CCC[C@H]3CO)ncn2)s1 107048254 IIGYBXPELHRJEU-ZDUSSCGKSA-N 318.446 2.444 0 40 DEAB Cc1cc(=O)[nH]cc1C(=O)Nc1cnc(-c2ccccc2)nc1 89568405 OFEMGCYXXSVQHX-UHFFFAOYSA-N 306.325 2.393 0 40 DEAB CCCn1nnnc1COc1ccc2c(CC)cc(=O)oc2c1 10199028 BPQQMTZSBNUDJK-UHFFFAOYSA-N 314.345 2.331 0 40 DEAB Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C)[nH]c2=O)c1 75122383 FTJHTSBQAVEHFT-CYBMUJFWSA-N 300.358 2.189 0 40 DEAB CC(C)c1noc(CCC(=O)N(C[C@@H]2CCOC2)C2CC2)n1 44941324 YYBLFBHNRLZSTB-LBPRGKRZSA-N 307.394 2.153 0 40 DEAB O=C(Cn1cncn1)Nc1ccc(OC(F)F)c2ncccc12 58307578 WAYHMXLAHPNPQE-UHFFFAOYSA-N 319.271 2.066 0 40 DEAB COc1ccc(CC(=O)Nn2c(C3CC3)n[nH]c2=S)cc1 9603336 CYHUXXNTDKIAMS-UHFFFAOYSA-N 304.375 2.139 0 40 DEAB Cc1cc(CNC(=O)c2cccc(S(C)(=O)=O)c2)ccc1F 11005742 AUOZRZSFTFJTQU-UHFFFAOYSA-N 321.373 2.468 0 40 DEAB Cc1cccc(OCCN(C)C(=O)c2ccc3[nH]nnc3c2)c1 28813991 MCKHUURXDFQRTM-UHFFFAOYSA-N 310.357 2.417 0 40 DEAB CC(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1 3219514 MJINXVWUECISLR-UHFFFAOYSA-N 305.330 2.180 0 40 DEAB CCN(C)c1ccccc1CNC(=O)c1c(C)nn(C)c1OC 95395700 SCMUMRULPWRNHE-UHFFFAOYSA-N 316.405 2.123 0 40 DEAB C[C@@H](NC1(CNC(=O)NC2CC2)CCOCC1)c1ccccc1 95396878 YPJNVPJXVJKWST-CQSZACIVSA-N 317.433 2.348 0 40 DEAB COC[C@H](NC(=O)N[C@@H]1CCN(C2CCCC2)C1)c1ccco1 76094024 DUXIANNVZZEZLR-HIFRSBDPSA-N 321.421 2.283 0 40 DEAB O=C(C1CC1)N1CCN(c2ncc(Cl)cc2Cl)CC1 46229215 YVMPLPDXVXUADC-UHFFFAOYSA-N 300.189 2.447 0 40 DEAB CCc1c(C)sc2nc(CC(=O)N3CCCC3)[nH]c(=O)c12 46438583 KIYSCAWUVIWTAV-UHFFFAOYSA-N 305.403 2.020 0 40 DEAB NC(=O)CN(C(=O)CCCOc1ccc(F)cc1)C1CCCC1 47236656 HJHWCNMFAJUZGU-UHFFFAOYSA-N 322.380 2.241 0 40 DEAB NC(=O)CN(C(=O)CCc1c[nH]c2ccccc12)C1CCCC1 47236229 KAGAJBLBIVAQDB-UHFFFAOYSA-N 313.401 2.357 0 40 DEAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 12623062 OSDZLORBXLSNRZ-AWEZNQCLSA-N 324.336 2.078 0 40 DEAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1nnnn1C 12603825 AHVAMHQJUQSCIK-WOPDTQHZSA-N 312.439 2.306 0 40 DEAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(-n2cnnn2)cc1 12922971 FFCBRLPXAONPHX-ZDUSSCGKSA-N 307.357 2.462 0 40 DEAB CC(C)(C)S(=O)(=O)c1ccc(NC[C@@H]2CCC[C@@H]2O)cn1 89694393 NURNHVMOSDNMIW-AAEUAGOBSA-N 312.435 2.227 0 40 DEAB NC1CCN(C(=O)c2c(F)cccc2Br)CC1 95427767 KRBRQZQOPKRPMP-UHFFFAOYSA-N 301.159 2.152 0 40 DEAB Cc1sc2nc(CCN)nc(N[C@H](C)c3ncn[nH]3)c2c1C 65435878 OEURDRXXIKQFON-MRVPVSSYSA-N 317.422 2.101 0 40 DEAB Cc1cc(Nc2ccc3c(ccn3CCO)c2)n2ncnc2n1 65589822 KRIZTCYFDCBSIS-UHFFFAOYSA-N 308.345 2.123 0 40 DEAB CCN(CC)C(=O)c1cccc(NC(=O)CNC(C)(C)C)c1 14185545 ZJQBVNRIUWCNRE-UHFFFAOYSA-N 305.422 2.495 0 40 DEAB CC(C)(C)c1ccc2cc(C(=O)N3CCNC(=O)CC3)[nH]c2c1 65902367 STHPXKDDSNXOPQ-UHFFFAOYSA-N 313.401 2.428 0 40 DEAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)[C@@H]1C[C@H]1C 5693691 BYWIEAVFJPHSBE-LDYMZIIASA-N 307.346 2.190 0 40 DEAB CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NC[C@H]1CCCO1 67125272 PUXILKTUHUGBGX-OLZOCXBDSA-N 312.410 2.071 0 40 DEAB Cc1ccc(C(=O)NCCCNC(=O)c2cccc(F)c2)cn1 4985608 HPSGGNXVZVTXQQ-UHFFFAOYSA-N 315.348 2.079 0 40 DEAB COc1ccccc1OCCNc1nc2ccccc2c(=O)[nH]1 97994934 GKMGYVKHIGHLSR-UHFFFAOYSA-N 311.341 2.423 0 40 DEAB COC[C@H](O)CNc1nc2ccccc2nc1N1CCCCC1 96486662 IHZKVFCDXNHNNN-CYBMUJFWSA-N 316.405 2.039 0 40 DEAB CC[C@H](C)[C@H](C)N(C(=O)C[C@@H]1CCS(=O)(=O)C1)C1CC1 71847822 LYRCMMJSFMGNSY-AVGNSLFASA-N 301.452 2.237 0 40 DEAB CCc1ncc(C(=O)N2CCN(Cc3ccncc3)CC2)s1 71830931 VXVFIWOLKDIJMK-UHFFFAOYSA-N 316.430 2.059 0 40 DEAB C[C@@H](NC(=O)N1CCNC(=O)CC1)c1c(F)cccc1Cl 81511582 NJQUGCNHRBOFQG-SECBINFHSA-N 313.760 2.072 0 40 DEAB c1cncc(COc2nc3ccccc3nc2N2CCOCC2)c1 69173183 LCDLANRBCTYIAT-UHFFFAOYSA-N 322.368 2.440 0 40 DEAB CC(C)(C)c1nc(CN2CCC[C@H](N3CCNC3=O)C2)cs1 71830554 JHAXDDTXWREPAO-ZDUSSCGKSA-N 322.478 2.430 0 40 DEAB Cc1nnc2n1CCN(C(=O)c1cc3c(s1)CCCC3)C2 69485999 SRHOHIZOXRDHLO-UHFFFAOYSA-N 302.403 2.183 0 40 DEAB O=C(OCC[C@H]1CCCCO1)c1ccc(-n2cnnc2)cc1 96502358 WXVNVCOZOWZTCX-OAHLLOKOSA-N 301.346 2.383 0 40 DEAB O=C(CN1CCC(c2ccc(F)c(F)c2)CC1)N1CCOCC1 69589140 KWQVHJXSPSKZOE-UHFFFAOYSA-N 324.371 2.003 0 40 DEAB C[C@H]1CN(C(=O)c2cc(Cl)c3c(c2)OCO3)C[C@H]1N(C)C 89937197 CMYQYHWHKMSAOI-JOYOIKCWSA-N 310.781 2.091 0 40 DEAB CCO[C@@H]1C[C@H](NC(=O)N2CC[C@]3(CCOC3)C2)C12CCC2 89985740 WOQIHYNCVOGQEF-LZWOXQAQSA-N 308.422 2.156 0 40 DEAB COCCN(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 69814267 LYUNEOFESNQRNT-LBPRGKRZSA-N 307.312 2.023 0 40 DEAB CC(C)(NC[C@H](O)CN1CCCC1=O)c1cccc(Cl)c1 95985285 PNSFKDRFIFUKTF-AWEZNQCLSA-N 310.825 2.148 0 40 DEAB Cc1cc(C(=O)N[C@@H](C)CCC(=O)O)nn1-c1ccccc1 97039184 ALBIEHUELJHIKQ-NSHDSACASA-N 301.346 2.164 0 40 DEAB Cc1cccc(NC(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)c1 97019018 GZKOQKVSIJLHPC-IRXDYDNUSA-N 317.433 2.494 0 40 DEAB CCc1nc(CC(=O)N2CCC[C@H](c3noc(C)n3)C2)cs1 72231743 MQEGOMJTJAEHJL-NSHDSACASA-N 320.418 2.346 0 40 DEAB C[C@@H]1Nc2ccnn2[C@H](C)[C@H]1CCC(=O)N[C@H]1CCCOCC1 1548680881 BTNWSNAXUUHFJT-XGUBFFRZSA-N 320.437 2.340 0 40 DEAB C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C1CC1 25771581 YUFUBNRGHAUTRM-QMMMGPOBSA-N 301.795 2.272 0 40 DEAB COc1ccc(C)cc1CN(C)S(=O)(=O)N1CCCCC1 22843472 KCZCBXHWVUQFKX-UHFFFAOYSA-N 312.435 2.166 0 40 DEAB CC(C)(C)OC(=O)[C@@H](CCO)NC(=O)OCc1ccccc1 34162789 FXRLWSYREBUSNL-CYBMUJFWSA-N 309.362 2.006 0 40 DEAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H](C)NC(N)=O 79320765 HKZAAOMNYPRKAV-YUELXQCFSA-N 303.406 2.228 0 40 DEAB CC(=O)N1CCN(c2ccc([C@H](N)c3ccccc3)c(C)n2)CC1 72224786 FBDOULYTEWWLEW-LJQANCHMSA-N 324.428 2.107 0 40 DEAB COC(CN1CCN([C@@H](C)c2ccc(F)cc2F)CC1)OC 136759444 SNYBWHMBFJUOQC-LBPRGKRZSA-N 314.376 2.262 0 40 DEAB Cc1nc2ccccn2c1C(=O)N/N=C/c1ccccc1C(=O)O 45923868 WMGZEDFKRYEBHH-VCHYOVAHSA-N 322.324 2.105 0 40 DEAB CC(C)Oc1cncc(C(=O)NC2CCC(C(=O)O)CC2)c1 507278179 JYNFOPBGFQWWEK-UHFFFAOYSA-N 306.362 2.242 0 40 DEAB CCOC(=O)[C@@](C)(C(=O)O)[C@@H]1CCc2cc(OC)ccc2C1 82048694 NYKDPNQDSCCMMR-CXAGYDPISA-N 306.358 2.454 0 40 DEAB Cc1nc(CNC(=O)c2nnc3ccc(Cl)cc3n2)cs1 46088903 SCHUKTIXKUZJEU-UHFFFAOYSA-N 319.777 2.373 0 40 DEAB Cc1nc2ncnc(N3CCN(Cc4ccccc4C)CC3)c2[nH]1 41121271 SGRVPCKABUIYOR-UHFFFAOYSA-N 322.416 2.292 0 40 DEAB COc1cc(C)ccc1NC(=O)N1C[C@@H]2[C@H]3C=C[C@@H](O3)[C@H]2C1 575603510 OUECADSVRBLPSK-DDHJSBNISA-N 300.358 2.421 0 40 DEAB CC[C@H](NC[C@H](C)c1ccc(F)cc1)C(=O)N1CCOCC1 195573391 CQRABSFCCGZJJX-BBRMVZONSA-N 308.397 2.156 0 40 DEAB CC(C)c1nc2c(n1C)CCN(C(=O)c1c[nH]nc1C1CC1)C2 190407592 ZSUBKNLWJGVPHV-UHFFFAOYSA-N 313.405 2.343 0 40 DEAB O=C(C[C@@H]1NCc2ccccc21)Nc1cccc(-n2cnnc2)c1 1580523804 SELRDVOJHRJWON-KRWDZBQOSA-N 319.368 2.440 0 40 DEAB CCC(CC)N=c1cc[nH]cc1NC(=O)CCc1cnn(C)c1 576149719 LXIHKHZMWJDLCC-UHFFFAOYSA-N 315.421 2.409 0 40 DEAB COCCOc1ccc(NC(=O)C(C)(C)Br)cn1 225880214 ZIHSWWCUHNSPBD-UHFFFAOYSA-N 317.183 2.219 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)c3ccc(C)nc3)CC2)CO1 96105764 FSFRUXILROOLBR-OAHLLOKOSA-N 304.390 2.048 0 40 DEAB Cc1c(Br)cccc1C(=O)OCCCC(N)=O 96447627 DIDKWWXSTHHWPK-UHFFFAOYSA-N 300.152 2.180 0 40 DEAB Cc1nnc(C[C@H]2OC[C@H]3CN(Cc4cccs4)CC[C@H]32)[nH]1 96206664 OQRMGSSOJOGTFJ-BPLDGKMQSA-N 318.446 2.254 0 40 DEAB CCCc1nnc(NC(=O)NC[C@](C)(O)c2ccco2)s1 96433816 XOGKJZGRJONSQV-ZDUSSCGKSA-N 310.379 2.113 0 40 DEAB Cc1cc(F)cc2c1N(CC(=O)NC1CCOCC1)CCC2 96412974 USNTXMULVRUBBA-UHFFFAOYSA-N 306.381 2.182 0 40 DEAB CN(C)[C@@H]1CCN(C(=O)NC2CCCC2)[C@H]1Cc1cccnc1 96200861 NOLUCLRSWNAMBL-SJORKVTESA-N 316.449 2.281 0 40 DEAB CC(C)COc1ccc(NC(=O)CCc2cnn(C)c2)cn1 96408103 GRLYTSIBMVUIHA-UHFFFAOYSA-N 302.378 2.421 0 40 DEAB O=C(Cc1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc[nH]n1 96494231 RUQCNMGWZUOGOU-CYBMUJFWSA-N 306.316 2.379 0 40 DEAB CC(C)(C)c1nn(Cc2nc(-c3cccs3)no2)c(=O)o1 96472127 YCCXVMDRCJAYBS-UHFFFAOYSA-N 306.347 2.294 0 40 DEAB CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc21 96182933 SFRYIYPROFVTBB-UHFFFAOYSA-N 322.430 2.481 0 40 DEAB CCC1(CC)[C@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)[C@H](C)[C@H]1OC 245339030 QBPBYVSWRWGYIR-VQJWOFKYSA-N 310.438 2.062 0 40 DEAB Cn1nc(C(=O)N2CCC(=O)Nc3ccccc32)cc1C1CC1 607834148 HIQNAKRZLFNUAY-UHFFFAOYSA-N 310.357 2.287 0 40 DEAB COc1ccc([C@@H]2CN(C(=O)c3cc(C)on3)CCN2C)cc1 257307557 SZFBNVFTLBMHPU-INIZCTEOSA-N 315.373 2.121 0 40 DEAB CCn1cc(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c(C)n1 257308335 TWJBMKXDAMRBQY-CQSZACIVSA-N 315.421 2.338 0 40 DEAB CCCn1nccc1-c1cncc(C[C@H]2CCN(C(C)=O)C2)n1 257334726 YHCPGWKPMZAAQG-CQSZACIVSA-N 313.405 2.161 0 40 DEAB Cc1ccnc([C@@H]2CN(C(=O)Cc3ccc(C)s3)CCO2)n1 257273547 NHCBAAYKNCLPLW-AWEZNQCLSA-N 317.414 2.298 0 40 DEAB CN(C(=O)c1ccccn1)[C@@H]1CC[C@H](Oc2ccccc2)[C@H]1O 257326021 WVLQRJIRPZAGLR-IKGGRYGDSA-N 312.369 2.125 0 40 DEAB Cc1cn[nH]c1C[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 257219515 DHBHGWSNVQVDKC-CQSZACIVSA-N 319.430 2.362 0 40 DEAB CNc1cc([C@H]2CCCN2C(=O)c2cncs2)nc(C)n1 257263187 LOUCOOYCKALYBS-LLVKDONJSA-N 303.391 2.261 0 40 DEAB CC(=O)N1CC[C@@H](Cc2cc(-c3c(C)noc3C)ncn2)C1 257237092 HFDVFLOHROPBSH-ZDUSSCGKSA-N 300.362 2.159 0 40 DEAB CC(=O)N1CCN(CC2CCOCC2)[C@H](c2ccccc2)C1 257269713 MRBKPOJQKGXPNZ-SFHVURJKSA-N 302.418 2.318 0 40 DEAB CC(=O)N[C@H]1CCCN(Cc2cc[nH]n2)[C@H]1Cc1ccccc1 585269238 MPHPNFMOMIZRMZ-ROUUACIJSA-N 312.417 2.122 0 40 DEAB CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(N)=O)C1 33045270 PTJNRHKOOZLWFF-MCIONIFRSA-N 309.454 2.498 0 40 DEAB CC(C)Cc1nc(C(=O)N[C@@H]2CCc3nccn3C2)cs1 72278741 MOHXZLWUUDGPBS-LLVKDONJSA-N 304.419 2.283 0 40 DEAB CCc1nc2ccccc2n1CC(=O)N1C[C@H](C)OC[C@@H]1C 45447439 PIWZFEDRKBJXKK-STQMWFEESA-N 301.390 2.235 0 40 DEAB CNC(=O)CN(C(=O)c1ccncc1Cl)c1ccccc1C 75083638 IEPKWSHPBQZRDX-UHFFFAOYSA-N 317.776 2.436 0 40 DEAB O=C(c1ccccc1)N(Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 5193108 SLDJJSNKXMPNJE-CQSZACIVSA-N 319.382 2.109 0 40 DEAB COCCNC(=O)Cc1ccc(NC(=O)c2cccs2)cc1 13717123 NNXKMQJUBAAGLC-UHFFFAOYSA-N 318.398 2.306 0 40 DEAB COc1cccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)c1 19565450 QYABVKGZZGSPEL-SFHVURJKSA-N 324.428 2.468 0 40 DEAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](NC(=O)C(F)(F)F)C2 258834264 OSEBHMPQLPAGFK-YIZRAAEISA-N 308.300 2.205 0 40 DEAB Cc1ccc(C)c(CN2CCN([C@@H](C)C(=O)NC(C)C)CC2)c1 1888909518 NOWOSARGIJUSCI-KRWDZBQOSA-N 317.477 2.334 0 40 DEAB O=C(N[C@@H]1CCCN(c2cc(C3CCC3)ncn2)C1)C1CC1 1889071931 VZKSXOTZFWYQMX-CQSZACIVSA-N 300.406 2.239 0 40 DEAB CC(=O)N[C@@H](CC(=O)NCc1ccccn1)c1cccs1 21325391 BPFDHMKFBHGJFX-ZDUSSCGKSA-N 303.387 2.027 0 40 DEAB COc1cccc([C@@H](CNc2cc(Cl)nc(N)n2)N(C)C)c1 24056487 XVONKFWZRRYGQT-GFCCVEGCSA-N 321.812 2.436 0 40 DEAB Oc1cc2c(cc1C(O)(C(F)(F)F)C(F)(F)F)OCO2 32889 ONZHKDDJCFTEEV-UHFFFAOYSA-N 304.142 2.433 0 40 DEAB O=C(Cc1ccccc1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924970 TZOUBFGCUJRMTO-INIZCTEOSA-N 308.381 2.398 0 40 DEAB O=C(NCCn1ccnc1-c1cnccn1)OCc1ccccc1 575608045 DDVHIJXESCADCY-UHFFFAOYSA-N 323.356 2.267 0 40 DEAB CC[C@@](C)(CNC(=O)c1cc2c(s1)CCC2)N1CCOCC1 40092730 REJDNHRJQJGULC-KRWDZBQOSA-N 322.474 2.468 0 40 DEAB COCC(=O)Nc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 31139890 KELWPWSMQONFPP-UHFFFAOYSA-N 324.340 2.400 0 40 DEAB Cc1oc2nc[nH]c(=O)c2c1C(=O)N(C)Cc1cccs1 31347783 AVTFHBMOTIRMOP-UHFFFAOYSA-N 303.343 2.158 0 40 DEAB O=C(COc1ccc(Cl)c(Cl)c1)NCc1cc[nH]n1 40445043 IRPZIUUIZQKYCQ-UHFFFAOYSA-N 300.145 2.412 0 40 DEAB CC(C)c1cc(NC(=O)Cn2cnc3ccsc3c2=O)on1 31788409 PPZLPLGXHAUNTC-UHFFFAOYSA-N 318.358 2.208 0 40 DEAB O=C(Nc1ccccn1)C1=NN(Cc2ccccc2)C(=O)CC1 40540314 UVKFDUCYPLNPON-UHFFFAOYSA-N 308.341 2.199 0 40 DEAB C[C@H](O)CNCCNCc1cccc(OCc2ccccc2)c1 20550776 FDEWRGGYIHQGCH-INIZCTEOSA-N 314.429 2.326 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)cc1 32913047 OXPYGGAFZLXMOF-MRXNPFEDSA-N 317.433 2.441 0 40 DEAB O=C(CNC(=O)c1ccco1)NC12CC3CC(CC(C3)C1)C2 21897289 IEGGSOPQYDXJIC-UHFFFAOYSA-N 302.374 2.094 0 40 DEAB CN[C@H]1CCCN(C(=O)Cc2cccc(Br)c2)C1 53202044 HSUSSALJPYIDRQ-ZDUSSCGKSA-N 311.223 2.202 0 40 DEAB Cn1cc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)cn1 53356061 PQLUDOIFZHEVMP-UHFFFAOYSA-N 323.381 2.302 0 40 DEAB CN(Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 42207914 ADTULFZVPOCYRB-NSHDSACASA-N 318.236 2.068 0 40 DEAB COc1ccc(CCN2C(=O)OC(C)(C)[C@]2(C)O)cc1OC 49539 AJKCLNUXUQGFMJ-INIZCTEOSA-N 309.362 2.186 0 40 DEAB COc1ccc(C(=O)NN2C(=O)CS[C@@H]2c2ccco2)cc1 96938 ZEACUHCHQRAPMO-OAHLLOKOSA-N 318.354 2.207 0 40 DEAB Cc1cccc(C)c1OCc1nc2c3cnn(C)c3ncn2n1 794131 JKXTUGLZMCHRHN-UHFFFAOYSA-N 308.345 2.207 0 40 DEAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(=O)c2ccccc2o1 24997460 OBGWLAWOLIVELO-CYBMUJFWSA-N 323.352 2.334 0 40 DEAB O=C(NCC[S@](=O)c1ccccc1)c1cccc(Cl)n1 78914657 GFSVFZMRLLCGQL-HXUWFJFHSA-N 308.790 2.273 0 40 DEAB CCCc1cc(NS(=O)(=O)c2ccc(OC)c(C)c2)n[nH]1 79096045 NXRNUGVTIYYCSU-UHFFFAOYSA-N 309.391 2.480 0 40 DEAB NC(=O)NCCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 2629454 LNKAOLPBVAEEQJ-UHFFFAOYSA-N 321.711 2.328 0 40 DEAB Cc1cccn2cc(CNS(=O)(=O)c3ccc(F)cc3)nc12 2961054 CSORMJJIUMDULW-UHFFFAOYSA-N 319.361 2.260 0 40 DEAB O=Cc1cccn1CC(=O)NCc1ccccc1Br 72331921 DIRDYLSLIXJFOK-UHFFFAOYSA-N 321.174 2.380 0 40 DEAB COc1cccc(CN(C)[C@@H](C(N)=O)c2ccccc2)c1OC 26161287 VPFDKINFFGGCTI-MRXNPFEDSA-N 314.385 2.362 0 40 DEAB CC[C@H](C)NC(=O)Cn1c(SC)nc2ccsc2c1=O 57504861 VCUMMIYFAZZAEQ-QMMMGPOBSA-N 311.432 2.095 0 40 DEAB Cc1cc(C)n(C(=O)c2n[nH]nc2Nc2ccccc2F)n1 57352078 MJAHLFJNIGBSEQ-UHFFFAOYSA-N 300.297 2.189 0 40 DEAB CCOC(=O)C[C@H](c1cccc(O)c1)c1c(O)cc(C)[nH]c1=O 72326161 YKJXWYJDQVADMO-CYBMUJFWSA-N 317.341 2.180 0 40 DEAB biogenic COC(=O)c1c(C)nc(C)c2c(=O)n(Cc3ccccn3)ccc12 72325721 SOTSAFLSRWCLOM-UHFFFAOYSA-N 323.352 2.243 0 40 DEAB biogenic CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccccc2O)C1 48029685 AYOGZHJYHXZFJB-LBPRGKRZSA-N 305.378 2.161 0 40 DEAB Cc1nc2ccccc2n1CCNC(=O)c1cc(C2CC2)[nH]n1 44858129 BROKJBZDJFEKMV-UHFFFAOYSA-N 309.373 2.375 0 40 DEAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCc1cccc(O)c1 58278963 INSMMXNDUPPDEH-YVEFUNNKSA-N 313.353 2.279 0 40 DEAB O=C(NCCc1nnc2ccccn12)NCC1CCCCC1 44946633 KQHKHQCCZQWPPX-UHFFFAOYSA-N 301.394 2.151 0 40 DEAB C[C@@H](C(=O)N(C)CCOc1cccc(Cl)c1)n1cncn1 44907758 FBYIQNBNOVXRGT-NSHDSACASA-N 308.769 2.030 0 40 DEAB COc1ccc(-c2cc(COC(=O)c3cnccn3)on2)cc1 11150189 SGLDVMZIVITWSI-UHFFFAOYSA-N 311.297 2.497 0 40 DEAB CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2cccs2)NC(=O)N1 11552304 IHHIAQIPVWQRES-GFCCVEGCSA-N 318.358 2.311 0 40 DEAB CC(C)c1noc(CCCNC(=O)NCc2cccnc2)n1 60330650 HNJKJIGEIHXCDS-UHFFFAOYSA-N 303.366 2.020 0 40 DEAB Cc1nc(CN2c3cccc4cccc(c34)S2(=O)=O)no1 60381758 JRJHCJNMKXDFLN-UHFFFAOYSA-N 301.327 2.240 0 40 DEAB COc1cccc(NC(=O)[C@H]2CCCN(c3ncccn3)C2)c1 21177764 FPEBMCSRBXGGIL-ZDUSSCGKSA-N 312.373 2.340 0 40 DEAB O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1cccs1 2789852 XPAQSXFIUAQHBI-UHFFFAOYSA-N 320.399 2.189 0 40 DEAB COCCn1cnnc1SCC(=O)c1c[nH]c2ccccc12 3349858 QCQWMWBZRJVDFP-UHFFFAOYSA-N 316.386 2.381 0 40 DEAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 24909946 CSQSYQBGXWAIHE-LLVKDONJSA-N 318.373 2.073 0 40 DEAB O=c1oc(-c2ccco2)nn1C[C@@H](O)c1cc(F)ccc1F 48365492 FHGJPUHDNBFKQI-LLVKDONJSA-N 308.240 2.108 0 40 DEAB O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H]1c1ccc(Cl)cc1 95401969 QEAHVPRKJUWRPQ-DGCLKSJQSA-N 313.806 2.048 0 40 DEAB COc1cccc(NC(=O)CCNC(=O)Cc2ccccc2)c1 12822375 NFAJVHAQNIINKL-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB CN(Cc1ccccc1Br)C(=O)[C@@]1(C)CCNC1 62894421 GKGPFCIAAQITNT-AWEZNQCLSA-N 311.223 2.407 0 40 DEAB CNC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1 13252363 HLGUVWMMSXXGMC-UHFFFAOYSA-N 318.373 2.410 0 40 DEAB Cc1ccc2c(CC(=O)N3CCC(CC(N)=O)CC3)coc2c1 49394825 ITXGDWYNMJJYPC-UHFFFAOYSA-N 314.385 2.398 0 40 DEAB Cc1cnn(CCC(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)c1 95961714 WQMMJWRIDNQFLJ-AWEZNQCLSA-N 301.394 2.019 0 40 DEAB CCN1CCC[C@H]1CNC(=O)c1cc2cc(OC)ccc2[nH]1 96230681 GGPSSMWSGKAUSC-ZDUSSCGKSA-N 301.390 2.391 0 40 DEAB COc1ccc(C)cc1-n1ccc(C(=O)N2CCOC[C@H]2C)n1 65499980 VJPAECZTDKIRNC-CYBMUJFWSA-N 315.373 2.050 0 40 DEAB Cc1n[nH]c(O)c1[C@H](c1ccccc1F)c1c(O)n[nH]c1C 4551576 YSPNTZNHRHKYJZ-UHFFFAOYSA-N 302.309 2.480 0 40 DEAB COc1ccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cn1 14229006 UCOGKPCQUZJHGL-BMIGLBTASA-N 300.314 2.257 0 40 DEAB COCCOCC(=O)Nc1nc2c(OC)cc(F)cc2s1 71799947 VXHBECYMUJEJRG-UHFFFAOYSA-N 314.338 2.046 0 40 DEAB COC(C)(C)CNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1 95435258 IDPUKBPQEMXNQS-SFHVURJKSA-N 318.417 2.295 0 40 DEAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@@H]1C(=O)NC 95436952 PKAKZUYIMHYQNN-JKSUJKDBSA-N 317.433 2.236 0 40 DEAB O=C(CCOC1CCOCC1)NCCC1Cc2ccccc2C1 96484949 FTFJEFNFIYXPFW-UHFFFAOYSA-N 317.429 2.493 0 40 DEAB CC(=O)c1cccc(NC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c1 95457667 DFNZTCSELZEQPB-DOTOQJQBSA-N 318.373 2.349 0 40 DEAB C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(Cl)cc2F)CCN1C 95457642 CKNLJYZIQBNUHT-NXEZZACHSA-N 320.817 2.192 0 40 DEAB Cc1ccc(OCCC(=O)N(CC(N)=O)C2CCCC2)cc1 71821094 NGDFQPLOXHHCTQ-UHFFFAOYSA-N 304.390 2.020 0 40 DEAB CCn1cc(CN2CCCN(C(=O)[C@H]3CC=CCC3)CC2)cn1 69491605 VCFALYKFXKSCPX-KRWDZBQOSA-N 316.449 2.294 0 40 DEAB CCSc1ccc(NC(=O)N[C@@H](C)CN2CCOCC2)cn1 69460403 NDOVLIRJHWNOCI-LBPRGKRZSA-N 324.450 2.036 0 40 DEAB CNC(=O)[C@H]1CCCN1Cc1cccc(OCC(F)(F)F)c1 69519488 UNHJZXAFSXWMIA-CYBMUJFWSA-N 316.323 2.338 0 40 DEAB O=C(CNC(=O)NCc1ccc(Cl)s1)Nc1cccnc1 69656410 HJOOUUOUPHVUAV-UHFFFAOYSA-N 324.793 2.234 0 40 DEAB Cc1csc(N2CCN(c3ncnc4[nH]ccc34)C[C@@H]2C)n1 69870498 FWKPRUOVUUPXQJ-NSHDSACASA-N 314.418 2.438 0 40 DEAB O=C(CCc1nccs1)N1CCCC[C@H]1Cn1cccn1 69970380 IMNWAQCLIQKYQO-ZDUSSCGKSA-N 304.419 2.354 0 40 DEAB Cc1nn(-c2ccccc2)nc1C(=O)NOCc1ccccc1 8776621 QJAMAMPMYXZTDT-UHFFFAOYSA-N 308.341 2.437 0 40 DEAB CCC(=O)N[C@H](N1C[C@H](C)O[C@H](C)C1)C(Cl)(Cl)Cl 19315901 VJEWQZCTQBQROB-KHQFGBGNSA-N 317.644 2.318 0 40 DEAB CCCOc1ccc(C(=O)NCc2nnc3ccccn23)cc1 9154548 PHVDOYPJCUUGFB-UHFFFAOYSA-N 310.357 2.448 0 40 DEAB Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)CC(=O)O)cc2F)n1 95970364 NLRAFHHOQSDEEH-VIFPVBQESA-N 319.336 2.221 0 40 DEAB CC(C)[C@H]1CN(C(=O)c2ccc(C(N)=O)nc2)c2ccccc2N1 75092699 NNBHVEZNAYEZTI-OAHLLOKOSA-N 324.384 2.277 0 40 DEAB COC(=O)c1[nH]c(C)cc1NC(=O)[C@@H]1Cc2ccccc2O1 75136603 VSDHCQXNXRXSCL-ZDUSSCGKSA-N 300.314 2.052 0 40 DEAB C[C@@H]1c2cccn2CCN1C(=O)CCc1nc(C2CC2)no1 89941527 UPPCAKJCMKAGGF-LLVKDONJSA-N 300.362 2.285 0 40 DEAB Cc1ccc(OCCNC(=O)NC[C@H](O)c2ccsc2)cc1 76018877 XTBKVQIPRUIUNR-HNNXBMFYSA-N 320.414 2.468 0 40 DEAB N[C@H]1CN(C(=O)Nc2cnn(C3CCCC3)c2)CC12CCC2 1551472943 SCDXOUDQKYFSPC-AWEZNQCLSA-N 303.410 2.343 0 40 DEAB Cc1nn(C)c2c(=O)n(C(C)C)c(N3CCCCCC3)nc12 32652301 KLQFDLNUDSWWKN-UHFFFAOYSA-N 303.410 2.400 0 40 DEAB CCN1C(=O)S/C(=C\Nc2ccc(C(=O)OC)cc2)C1=O 36636163 QISVIKGBGZGZKQ-FLIBITNWSA-N 306.343 2.442 0 40 DEAB C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(SC(F)F)cc1 79321278 HFMTUFSLBXFDNR-QMMMGPOBSA-N 317.361 2.017 0 40 DEAB Cc1cc(OCC(=O)Nc2ccnn2C2CCCC2)nnc1C 78613861 KXVVJEFLRSNWEM-UHFFFAOYSA-N 315.377 2.423 0 40 DEAB O=C(Nc1ccc(-n2cncn2)nc1)c1c(F)cccc1F 32769342 GKSDHBCEKDRMKP-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB CCc1noc(-c2ccc(NC(=O)CCC(=O)OC)cc2)n1 72242827 GXMSQDLHFZNUOL-UHFFFAOYSA-N 303.318 2.191 0 40 DEAB Cc1nc(NC(=O)c2cc(-n3cnnn3)ccc2F)sc1C 79480514 HTUPSEMGXDXMDS-UHFFFAOYSA-N 318.337 2.127 0 40 DEAB Cc1ccc(-c2snnc2C(=O)NC[C@@H]2CCCO2)cc1 72240037 UUYBDSKHIWROAV-LBPRGKRZSA-N 303.387 2.422 0 40 DEAB COc1cc(N2CCCCCC2)nc(NC(=S)NC2CC2)n1 226002718 KQRWSSVMONCERJ-UHFFFAOYSA-N 321.450 2.314 0 40 DEAB C[C@H](Oc1ccccc1)C(=O)Nc1cnc(N2CCCC2)nc1 224247572 XQUUAHUYLOKIOG-ZDUSSCGKSA-N 312.373 2.483 0 40 DEAB CCOc1nn(C)c2ccc(NC(=O)C3CCOCC3)cc12 227164483 TUHWCKJOXCODOL-UHFFFAOYSA-N 303.362 2.337 0 40 DEAB CC(C)(C)c1nc(C(C)(C)NCCOC[C@@H]2CCCO2)no1 96421116 NBLJKZNUYVGTSN-LBPRGKRZSA-N 311.426 2.387 0 40 DEAB c1cnc(N2CCC3(CCN(Cc4nccs4)CC3)C2)nc1 96157525 JSWZXZPOYDWILH-UHFFFAOYSA-N 315.446 2.426 0 40 DEAB Cc1cc(Br)oc1C(=O)N1CCCC[C@H]1C(=O)O 96402684 MKJRJHUZXXFNBH-QMMMGPOBSA-N 316.151 2.430 0 40 DEAB O=C(NCCN1CCOCC1)[C@H]1C[C@H]1c1cccc2ccccc12 96404788 UIVLHRXUMLHMEP-OALUTQOASA-N 324.424 2.392 0 40 DEAB CCCS(=O)(=O)CC(=O)N1CCC[C@@H](C(C)(C)C)CC1 96407291 DWVRZVGXWVYOSI-CYBMUJFWSA-N 303.468 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S=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCCC2)nc1 11102648 LNMZMZSJENXLQP-ZDUSSCGKSA-N 306.435 2.147 0 40 DEAB O=C(CCn1c(C(F)F)cc2cccnc21)N1CCOCC1 12187270 MBROBUWQVAUCBW-UHFFFAOYSA-N 309.316 2.223 0 40 DEAB O=C(O)COc1cc(O)c(C(=O)/C=C\c2ccccc2)c(O)c1 12375795 RWFMSCOTPGGRRL-SREVYHEPSA-N 314.293 2.457 0 40 DEAB O=C(NC/C(Br)=C/Br)C(F)(F)F 1674002 OBZDEZAJKKMVRW-IWQZZHSRSA-N 310.895 2.296 0 40 DEAB O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/C=C/c1ccco1 8477231 UQOGFVJIWTXYCZ-GNPHZIBNSA-N 300.314 2.240 0 40 DEAB COc1ccc(C(=O)NC2CCC(F)(F)CC2)c(OC)n1 390829770 GMCFSKZKHAWIFO-UHFFFAOYSA-N 300.305 2.407 0 40 DEAB COc1ccc(CC(=O)NCC(=O)OCc2ccccc2)cc1 6460262 FVHDORRXKBWWKS-UHFFFAOYSA-N 313.353 2.097 0 40 DEAB Cc1ccnc(OC[C@]23CCC[C@@H]2CN(c2ncccn2)C3)n1 1888860263 JCQIVNHCLPVJSB-RHSMWYFYSA-N 311.389 2.261 0 40 DEAB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccn(C)c(=O)c2)n1 25014612 KDDLNYUITZXWIL-UHFFFAOYSA-N 322.368 2.440 0 40 DEAB Cc1cnc(C)c(OC2CCN(c3ncc(F)cn3)CC2)n1 2087122344 KVMRAVUXNZFKGX-UHFFFAOYSA-N 303.341 2.070 0 40 DEAB c1nc(N2C[C@@H]3CCC[C@H]3C2)c2ncn(C[C@@H]3CCCO3)c2n1 2298048620 ANBPMHIJYDWPLT-IHRRRGAJSA-N 313.405 2.242 0 40 DEAB O=C(NCCc1ccccc1)NC[C@@]1(O)CCc2ccccc2C1 85560553 RUPDUGSAYJXEAP-HXUWFJFHSA-N 324.424 2.448 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)NCCOc1ccc(F)cc1 30481349 ZYIHDMVPVYGXIC-CMDGGOBGSA-N 317.364 2.384 0 40 DEAB Cc1nc(Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)no1 31627720 JSBSCXNNNUYOIJ-QMMMGPOBSA-N 316.386 2.323 0 40 DEAB O=C(Nc1cccnc1)[C@@H]1CCCN(c2ccc(Cl)nn2)C1 40548476 QSRJFGDRISSQOB-LLVKDONJSA-N 317.780 2.380 0 40 DEAB CCn1c(S)nc2cc(C(=O)NCCC(C)C)ccc2c1=O 102175090 CSEZADAIPILCQO-UHFFFAOYSA-N 319.430 2.481 0 40 DEAB C[C@@H](NC(=O)CCSCC(N)=O)c1ccc(Cl)s1 32817587 OGQJZEIMWBLVRL-SSDOTTSWSA-N 306.840 2.187 0 40 DEAB Cc1cc(C)c(NC(=O)CSc2nc(N)cc(N)n2)c(C)c1 422484 QDDNIMNAOPPBSR-UHFFFAOYSA-N 317.418 2.297 0 40 DEAB O=C(O)c1ccc(F)c(NS(=O)(=O)c2cccs2)c1 24432820 LWROAGYOGVIZLT-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB CC1CCN(C(=O)CSc2nnc(-c3ccco3)n2C)CC1 416253 HTVQUWAGVMEKIB-UHFFFAOYSA-N 320.418 2.426 0 40 DEAB Cc1nnsc1S(=O)(=O)c1ccc(Br)cc1 3125243 RRGDEFJYSNBOCK-UHFFFAOYSA-N 319.205 2.442 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 1298467 VKXDRZNNNZATMI-JXMROGBWSA-N 320.370 2.182 0 40 DEAB CC(C)c1n[nH]c([C@H]2CN(C(=O)C[C@@H]3C=CCC3)CCO2)n1 78889150 SOKFIEBRKPPOEH-CHWSQXEVSA-N 304.394 2.184 0 40 DEAB COc1c(C(=O)N2CC[C@H](OCCC(C)C)C2)c(C)nn1C 79050648 HVJDXUGGPLNYAT-ZDUSSCGKSA-N 309.410 2.014 0 40 DEAB O=C(CN1CCc2sccc2C1)N1CCO[C@H]2CCCC[C@H]21 106826805 ZCXPFHRXHQSPAR-CABCVRRESA-N 320.458 2.276 0 40 DEAB CCS(=O)(=O)c1ccc(NC(=O)NCc2ccccn2)cc1 43953311 YRMOCOBWLBWLTE-UHFFFAOYSA-N 319.386 2.197 0 40 DEAB Cc1ccc(-c2nc(C)c(C(=O)NC(C)(C)C(N)=O)s2)o1 57051373 YXKBZPHBEWVSFG-UHFFFAOYSA-N 307.375 2.014 0 40 DEAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1ncc(Cl)n1C 108182551 QYGXPLWDUXYCIP-WOPDTQHZSA-N 311.813 2.380 0 40 DEAB C[C@H](NC(=O)c1cn2cccnc2n1)c1nc2ccccc2[nH]1 58101036 ZHJRFYVYDJMGTE-JTQLQIEISA-N 306.329 2.097 0 40 DEAB CCN1CCC(N(C(=O)CNC(=O)CC(C)(C)C)C2CC2)CC1 58261035 HVSXNHNUIGOECY-UHFFFAOYSA-N 323.481 2.014 0 40 DEAB CC(=O)NC[C@@H]1CN(c2ccc(Cl)c(Cl)c2)C(=O)O1 9100939 TVHUSNFBBWOTGS-SECBINFHSA-N 303.145 2.455 0 40 DEAB Cc1ccc2c(c1)S[C@@H](C(=O)NCCCn1cccn1)C2 44911037 QRYWRDKOMXVCCY-OAHLLOKOSA-N 301.415 2.415 0 40 DEAB CC(C)c1nnc(NC(=O)N2CCN(CC3CC3)CC2)s1 44972503 KDWLXPXWQCZFNW-UHFFFAOYSA-N 309.439 2.221 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)[C@H]1CCCO1 44955602 CKYNMTAGYUGGNM-TZMCWYRMSA-N 307.394 2.236 0 40 DEAB C[C@@H](COCC(F)(F)F)NC(=O)CN(C)Cc1ccccc1 58368891 GFDCDRSXCOSBSQ-LBPRGKRZSA-N 318.339 2.202 0 40 DEAB CCC(=O)N1CCN(C(=O)[C@H](C)SCc2ccccc2)CC1 58305114 CQJYRZKHYAHWCK-AWEZNQCLSA-N 320.458 2.389 0 40 DEAB O=S(=O)(CC[C@@H]1CCCO1)N[C@H]1CCc2ccc(F)cc21 89807177 WMCNIHJVLFZBCD-ZFWWWQNUSA-N 313.394 2.302 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)c1cn(C)c2ccccc12 24726036 VTCJUCCBVHWCOZ-AWEZNQCLSA-N 302.374 2.496 0 40 DEAB biogenic Cn1ccnc1[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(Cl)cc1 28947000 NVJNIHFOLYWOMW-KGLIPLIRSA-N 319.792 2.458 0 40 DEAB C[C@@H](Cc1ccc(Cl)cc1)NC(=O)N[C@@H](C)c1nncn1C 45608968 YNUGDXBJDKKOQI-QWRGUYRKSA-N 321.812 2.460 0 40 DEAB CC(=O)NCCCN1CC[C@H](C)N(Cc2ccccc2)CC1 89930008 YAOFVBFGWVZMGH-INIZCTEOSA-N 303.450 2.109 0 40 DEAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cncn1C 100141166 KGFAVEDGRVSZFJ-IUODEOHRSA-N 308.389 2.033 0 40 DEAB Cc1ccccc1OC[C@@H](C)NS(=O)(=O)c1c(C)noc1C 57020743 ODEPETMTPHBIAN-LLVKDONJSA-N 324.402 2.346 0 40 DEAB O=C(Cc1ccccc1)NC[C@@H](c1ccccc1)N1CCOCC1 12800708 YVZSEBJEKJYYQX-IBGZPJMESA-N 324.424 2.419 0 40 DEAB COc1cccc(C(=O)NC[C@@H](c2ccco2)N(C)C)c1OC 10328259 YJQONBZKZRDELS-ZDUSSCGKSA-N 318.373 2.330 0 40 DEAB O=C1NCCCC[C@H]1NCc1cccc(OC(F)(F)F)c1 76396547 QVJJEPRYIYIINE-GFCCVEGCSA-N 302.296 2.344 0 40 DEAB NC(=O)c1cccc(NC(=O)/C=C/c2cnc3ccccc3n2)c1 12922020 PLMCZQZOZAWNBV-CMDGGOBGSA-N 318.336 2.381 0 40 DEAB O=C(NCC1CC1)[C@@H]1CCCN(C(=O)c2ccccc2F)C1 49170156 ZJDQRUQKIBKXSV-CYBMUJFWSA-N 304.365 2.204 0 40 DEAB Cc1nn(CN(C)CCc2ccccc2)c(=O)c2noc(C)c12 65553319 RIGJSKMPZFNAGJ-UHFFFAOYSA-N 312.373 2.133 0 40 DEAB O=C1CN(c2nc(-c3ccccc3)c3ccccc3n2)CCN1 9514890 PVLUJLCTEXZDOT-UHFFFAOYSA-N 304.353 2.233 0 40 DEAB CCOC(=O)C1=CNc2ncnn2[C@H]1c1ccc(Cl)cc1 66324788 VRWXGGRVMOALAF-LBPRGKRZSA-N 304.737 2.393 0 40 DEAB Cc1cccnc1NC(=O)c1cnc2scc(C)n2c1=O 6815283 YWRXXUACAPWBCV-UHFFFAOYSA-N 300.343 2.020 0 40 DEAB Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccc(F)cc1 7389563 BGHAWQGCQLTUEH-UHFFFAOYSA-N 311.316 2.483 0 40 DEAB O=c1c2oc3ccccc3c2ncn1CCOC[C@H]1CCCO1 71921914 HVBNWTAPPVHWRV-GFCCVEGCSA-N 314.341 2.338 0 40 DEAB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C(C)C)cc1 68113171 GVPCOGXDPJDAFA-ZDUSSCGKSA-N 308.403 2.191 0 40 DEAB O=C(Cc1ccon1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 95979038 QZSFIAKWCUDAFE-NSHDSACASA-N 323.755 2.405 0 40 DEAB COc1ccccc1NC(=O)N1CCC(C2OCCO2)CC1 69321269 WCKVTGTUWCKUHL-UHFFFAOYSA-N 306.362 2.312 0 40 DEAB C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 70173587 VGWDWRJGCNZLNI-VHSXEESVSA-N 320.817 2.227 0 40 DEAB Cc1ccc(OCC(=O)N(C)Cc2nnc3ccccn23)cc1 69485403 SXNQDAHPIOHIJX-UHFFFAOYSA-N 310.357 2.075 0 40 DEAB CCc1cnc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)s1 97099219 AKMOEWRVAAFVER-STQMWFEESA-N 303.387 2.485 0 40 DEAB CO[C@H](CNC(=O)N1CCC[C@@H](N(C)C)C1)c1ccccc1 72274197 UWPYKAKDPIDHIT-HZPDHXFCSA-N 305.422 2.110 0 40 DEAB COC[C@](C)(CNC(=O)CC(C)(C)C)NC(=O)CC(C)(C)C 72283560 SATODSPJSFGQMB-KRWDZBQOSA-N 314.470 2.496 0 40 DEAB O=C(Nc1ccc(OCC(F)(F)C(F)F)nc1)c1cc[nH]n1 69846905 GUBILTFMHMDROJ-UHFFFAOYSA-N 318.230 2.336 0 40 DEAB COCCNC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F 72230618 YYRNOBRAGMDDPX-UHFFFAOYSA-N 324.331 2.286 0 40 DEAB O=C(Nc1ccncc1F)N1CCO[C@H](c2nccs2)C1 97136009 CCLNYMHAFLYWRP-NSHDSACASA-N 308.338 2.283 0 40 DEAB CCS(=O)(=O)c1cccc(CC(=O)N(C)c2nccs2)c1 97141623 RFJQCUKIDJNKGA-UHFFFAOYSA-N 324.427 2.142 0 40 DEAB Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cscn2)c1 97113867 JCAYVTSZIAAUHC-UHFFFAOYSA-N 313.386 2.348 0 40 DEAB CC(=O)NCCc1ccc(C(=O)CSc2cnccn2)s1 74792396 BRTNMANOCDWLFB-UHFFFAOYSA-N 321.427 2.192 0 40 DEAB O=C(NC[C@@H](O)CO)Nc1sc2ccccc2c1Cl 84587800 RBLSJHQBWFLAFX-SSDOTTSWSA-N 300.767 2.029 0 40 DEAB O=C(NC[C@H](O)C1CC1)NCC1(c2ccc(F)cc2)CCC1 95349732 HSZFNFWSFOHTGZ-HNNXBMFYSA-N 306.381 2.318 0 40 DEAB Cn1[nH]c(=O)c2c(C(=O)NCCC(C)(C)C)cc(C3CC3)nc21 95350264 HRAFJVVDWQDFGS-UHFFFAOYSA-N 316.405 2.305 0 40 DEAB COc1ccc([C@H](C)CCNC(=O)N[C@@H]2CCC[C@@H]2O)cc1 84637277 OGIQOAZZPMLVET-WQVCFCJDSA-N 306.406 2.401 0 40 DEAB CCOc1ccc(Cl)cc1CCNC(=O)Cn1ccnc1 95440595 LEMHXPTWIXEBQH-UHFFFAOYSA-N 307.781 2.294 0 40 DEAB CC1CCN(Cc2ccc(C(=O)N3CCOCC3)cc2)CC1 20045458 AZMKRSMSBHYIIR-UHFFFAOYSA-N 302.418 2.391 0 40 DEAB COc1ccc(CCNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 170341235 CQDWIHSDRYQNTM-BBRMVZONSA-N 318.417 2.049 0 40 DEAB COc1cc(N[C@H]2CCN(c3cccc(Cl)c3)C2=O)nn1C 548467311 XFLHWVGRUSGMBB-LBPRGKRZSA-N 320.780 2.300 0 40 DEAB O=C(Cc1csc(COc2ccccc2)n1)N1CCOCC1 33326137 YTZPGWFGJVNRAJ-UHFFFAOYSA-N 318.398 2.123 0 40 DEAB COc1ccc2cc(C(=O)NCC3CC3)sc(=O)c2c1OC 1565524317 FVOYGEHANSOVMJ-UHFFFAOYSA-N 319.382 2.419 0 40 DEAB O=C(O)c1c(F)c(F)nc(I)c1Cl 36470504 RDVLSJWSZWFVBK-UHFFFAOYSA-N 319.432 2.316 0 40 DEAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)NC1CC1 71834842 QHGJHSPSLYIXQY-UHFFFAOYSA-N 308.381 2.213 0 40 DEAB CC(C)N(C)c1ccccc1NC(=O)c1cnc(C(=O)O)cn1 563810181 IEKQIMBGYLVYIC-UHFFFAOYSA-N 314.345 2.272 0 40 DEAB Cc1ccc(CCNC(=O)NC[C@@](C)(O)c2ccsc2)cn1 77574963 BMIHPHOXAKWQBX-MRXNPFEDSA-N 319.430 2.201 0 40 DEAB COCCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1C 226851756 BZTREBMYKZIBRO-AWEZNQCLSA-N 317.389 2.101 0 40 DEAB Cc1cc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)no1 44633755 NRDNKLJBOLRCJB-CQSZACIVSA-N 311.345 2.091 0 40 DEAB Cn1cc([C@](C)(O)CN[C@H](c2ccccc2)c2ccccn2)cn1 195553611 ZPNXABFKWVOQJZ-RTBURBONSA-N 322.412 2.402 0 40 DEAB C[C@@]1(C(=O)NCCCn2ccnc2)CC(c2cccs2)=NO1 226749700 WZHQOQLTNOTVFS-HNNXBMFYSA-N 318.402 2.034 0 40 DEAB CCc1cnc([C@@H](C)NC(=O)c2cccc3nn[nH]c23)s1 195573432 FHKRJMRNRDEWEE-MRVPVSSYSA-N 301.375 2.468 0 40 DEAB Cc1cc(F)c(Br)cc1NC(=O)[C@@H]1COCCO1 191175875 DRJVJTDFELMEDD-NSHDSACASA-N 318.142 2.251 0 40 DEAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1 81238766 LGVQGQYVQSZEBD-KGLIPLIRSA-N 317.433 2.495 0 40 DEAB CCCNC(=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 225773944 LHTQLGWEZOTNKK-GFCCVEGCSA-N 305.378 2.127 0 40 DEAB C[C@H]1SCCN(C(=O)NCc2cccnc2N(C)C)[C@@H]1C 96411417 JGFXXHPRHIHBKC-VXGBXAGGSA-N 308.451 2.183 0 40 DEAB COC[C@@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 96039064 QPVMVWFTJXUYFT-ZBFHGGJFSA-N 309.431 2.335 0 40 DEAB CN1C(=O)[C@@H](c2ccccc2)CC12CCN(c1ncccn1)CC2 96199432 GRTPDCRVNPPFKS-MRXNPFEDSA-N 322.412 2.462 0 40 DEAB CC(C)OCCC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C 96406377 NMTGCRMGHRNRFU-AWEZNQCLSA-N 314.376 2.499 0 40 DEAB CC(C)Cn1nnc2ccc(NC(=O)c3ccco3)cc2c1=O 96232823 BMXUEDKUZJPVJW-UHFFFAOYSA-N 312.329 2.293 0 40 DEAB Cc1ncsc1CCN1C(=O)N[C@@H](Cc2ccccc2)C1=O 96448231 MZAPKFCBQZHNMR-ZDUSSCGKSA-N 315.398 2.157 0 40 DEAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nc[nH]n1 95480329 KYZYLQAHDVZPOK-UHFFFAOYSA-N 302.725 2.111 0 40 DEAB CN(CCN1CCN(c2ccccc2)CC1)Cc1ccncc1 96424717 SWAAGCSTISWZIB-UHFFFAOYSA-N 310.445 2.336 0 40 DEAB O=C([C@@H]1CSCN1C(=O)C1CCC1)N1C[C@H]2CC=CC[C@@H]2C1 96423508 MWFYCRCGMNOHHB-KFWWJZLASA-N 320.458 2.113 0 40 DEAB Cc1nc(CN2CCC[C@@H](C(=O)NCC(F)(F)F)C2)cs1 96441638 AIMJMIXQUSQFNJ-SNVBAGLBSA-N 321.368 2.342 0 40 DEAB Cc1cc([C@@H]2CN(C(=O)c3ncccc3C)CCO2)nc(C)n1 257215984 CSOUJXSAEWJPCV-HNNXBMFYSA-N 312.373 2.011 0 40 DEAB Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2cncnc2C)n1 257309115 TZPCAXHONYHLFZ-QGZVFWFLSA-N 311.389 2.343 0 40 DEAB CCOc1ccccc1-n1nc(C(=O)O)c(N(CC)CC)n1 256048063 QLCZWQSKXXCZJC-UHFFFAOYSA-N 304.350 2.210 0 40 DEAB COc1ccc(=O)n(CC(=O)c2cccc(Cl)c2Cl)n1 252495760 OZGKZTKESJFWKT-UHFFFAOYSA-N 313.140 2.442 0 40 DEAB Cc1noc(C)c1-c1cccc(C(=O)NCc2nccn2C)n1 257331999 XVGPCTKJRJJXPN-UHFFFAOYSA-N 311.345 2.017 0 40 DEAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)NCc2cn[nH]c2)c1 390834264 VJSDYYJPZIIGSM-UHFFFAOYSA-N 321.768 2.087 0 40 DEAB Cc1ccn2cc(CNc3ncc(C(N)=O)cc3Cl)nc2c1 71819400 AUQZFRKMMJWVBF-UHFFFAOYSA-N 315.764 2.402 0 40 DEAB CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2cccc(Cl)c2)C1 72314131 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317.418 2.334 0 40 DEAB COc1ccccc1Nc1nc(N)nc(CN2CCCCC2)n1 1272933 RBMSANNHSNPPNR-UHFFFAOYSA-N 314.393 2.192 0 40 DEAB COc1cccc(CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1OC 106862376 LZRRBDHBUWHKCA-UOVKNHIHSA-N 313.353 2.011 0 40 DEAB CC(=O)c1csc(NC(=O)Cc2ccc3c(c2)OCCO3)n1 25256342 BWISGXAKWQSLLK-UHFFFAOYSA-N 318.354 2.298 0 40 DEAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnnn1C 3347394 YCFDOYODGIHJJX-SECBINFHSA-N 301.375 2.363 0 40 DEAB COc1ccc(C(=O)N[C@H]([C@@H]2CC=CCC2)N2CCC2=O)cc1 1410234 CCAZADNNULGVDL-DYVFJYSZSA-N 314.385 2.340 0 40 DEAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccn1 6403059 CFNPVZYDDOODKU-UHFFFAOYSA-N 302.315 2.455 0 40 DEAB C[C@H](N[C@H](Cn1cncn1)c1ccccc1)C1CCOCC1 95421768 LLNBRBWJESFYPE-WMLDXEAASA-N 300.406 2.424 0 40 DEAB C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCCO1 26402761 GKAWVNBZIPABIV-ZBFHGGJFSA-N 303.406 2.086 0 40 DEAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)NC[C@@H]1C[C@@H]1C 108181723 WXTPMJYRMITILN-NUTKFTJISA-N 300.402 2.295 0 40 DEAB 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319.409 2.197 0 40 DEAB COc1ccc(CC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1F 69742444 UFWYNZBGWAMSGS-HOTGVXAUSA-N 320.408 2.462 0 40 DEAB COc1ccc(NC(=O)CN(C)C(=O)c2ccsc2)cc1 18003528 RCYKLIMLFOPEGE-UHFFFAOYSA-N 304.371 2.467 0 40 DEAB O=C1CC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)N1 70715572 NLZXTEJUYGIPAU-KRWDZBQOSA-N 308.381 2.494 0 40 DEAB O=C(Cc1ccccc1F)NC[C@@H](Cc1ccccc1)C(=O)O 97018640 ITFTYGFLFLMEES-OAHLLOKOSA-N 315.344 2.428 0 40 DEAB CN(C)c1cccc([C@@H]2CCCN2c2nc3[nH]ncc3c(=O)[nH]2)c1 97097207 ISGXNFHIMCVFEE-AWEZNQCLSA-N 324.388 2.054 0 40 DEAB CSC[C@H](C)NC(=O)NC[C@H](O)c1c(F)cccc1F 72294055 RAVQEBROFGPMFH-KWQFWETISA-N 304.362 2.049 0 40 DEAB CO[C@@H]1CC[C@@H]2OCCN(Cc3nc(CC(C)C)no3)[C@H]2C1 95438017 ZVKHKHCQRRNFLC-RDBSUJKOSA-N 309.410 2.036 0 40 DEAB CC(C)OC(=O)c1cccnc1N1CCC(c2nc[nH]n2)CC1 97140753 OJMNTVKRDZSPLH-UHFFFAOYSA-N 315.377 2.149 0 40 DEAB O=C(Nc1ccncc1F)N1CCO[C@@H](c2nccs2)C1 97136010 CCLNYMHAFLYWRP-LLVKDONJSA-N 308.338 2.283 0 40 DEAB Cc1csc([C@H](C)CNC(=O)Nc2c(C)ccn(C)c2=O)n1 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DEAB O=C(NCCc1ccc(F)cc1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 222437557 KPKFEUXVAGLCGA-MYZSUADSSA-N 303.333 2.007 0 40 DEAB CN(C)[C@@H]1CCN(Cc2ccsc2)[C@H]1Cc1cnn(C)c1 96200886 XUJZDSWZWYCWFO-CVEARBPZSA-N 304.463 2.229 0 40 DEAB CC[C@](Br)([C@H](O)C(C)(C)C)S(=O)(=O)CC 96521731 XCGYSNRYXCBTAR-PSASIEDQSA-N 301.246 2.329 0 40 DEAB COc1c(C(=O)Nc2cc(C)ccn2)nnn1Cc1ccccc1 96183452 VGNWNBOMSFKQPQ-UHFFFAOYSA-N 323.356 2.291 0 40 DEAB CN1CCO[C@@H](C(=O)Nc2cc(-c3ccccc3)ns2)C1 96461230 RNAHLHQPUVNDKS-CYBMUJFWSA-N 303.387 2.079 0 40 DEAB O=C1N[C@H](c2ccccc2)C12CCN(CC1CCOCC1)CC2 96080426 JOLSGEMMSYZCPR-QGZVFWFLSA-N 314.429 2.366 0 40 DEAB CS[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnn(C(C)C)c1 96428179 CMCYTDGIYJXPGA-CHWSQXEVSA-N 317.480 2.417 0 40 DEAB Cc1csc(CN2CC[C@H]3C[C@H](c4noc(C)n4)O[C@@H]3C2)n1 96046193 SALAZZLUYVJLSJ-YNEHKIRRSA-N 320.418 2.495 0 40 DEAB CCN(CC)[C@@H]1CCN(C(=O)Nc2ccn(CC(F)F)n2)C1 96452284 UTJYTASMBOCXEC-LLVKDONJSA-N 315.368 2.096 0 40 DEAB COC[C@H]1CN(Cc2nccs2)Cc2c1cnn2CC1CC1 96197918 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Cc1ccc(C(=O)N2CCO[C@H](CCc3ccncn3)C2)s1 257329843 XLTHDIXWONNKTP-CQSZACIVSA-N 317.414 2.320 0 40 DEAB c1cnc(O[C@H]2CCOC3(C2)CN(Cc2ccsc2)C3)cn1 253598313 HTFPSYHJYDFSKH-AWEZNQCLSA-N 317.414 2.351 0 40 DEAB Cc1nc(CN2CCO[C@H](c3cccc(N(C)C)n3)C2)cs1 257321964 WECAGRCHWMCQAW-HNNXBMFYSA-N 318.446 2.486 0 40 DEAB C/C=C/C[C@H](CO)NC(=O)[C@](O)(CC)c1cccc(Cl)c1 252479802 BMYIQNFXSBNXJA-GCILFIKNSA-N 311.809 2.381 0 40 DEAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2CCOc1cccnc1 575403828 OSTHVPDDVYOYQU-HNNXBMFYSA-N 316.401 2.268 0 40 DEAB O=C(COc1ccnc(Br)c1F)NC1CCCC1 585140717 IYCMKBNGECRNOI-UHFFFAOYSA-N 317.158 2.421 0 40 DEAB COc1ccc(CNC(=O)N2CCCC[C@H]2[C@H](C)O)cc1OC 69484269 TYWXDUXRMSAFGA-JSGCOSHPSA-N 322.405 2.149 0 40 DEAB Cc1cc(C[S@](=O)CC(=O)Nc2ccc(F)cc2F)no1 71859227 QTCBFACUKQQVMJ-OAQYLSRUSA-N 314.313 2.149 0 40 DEAB Cc1nc2ccccc2n1C1CN(C(=O)NC[C@@H]2CCCO2)C1 1776008833 PRKGPBSMYBWHFA-AWEZNQCLSA-N 314.389 2.090 0 40 DEAB COc1ccc(CCNC(=O)[C@H](NC(C)=O)C2CCCC2)cc1 53463374 VODWNEOWNWOMBW-QGZVFWFLSA-N 318.417 2.049 0 40 DEAB CC(C)[C@@H]1CN(C(=O)CCN2CCCC2=O)c2ccccc2N1 75092692 GAAAWYUCSGPDPD-HNNXBMFYSA-N 315.417 2.482 0 40 DEAB COc1cc(NC(=O)N[C@@H]2CCC[C@H](O)C2)cc(OC)c1OC 75156813 DMXDITIEDIBRLO-PWSUYJOCSA-N 324.377 2.137 0 40 DEAB CC(C)(CCS(C)(=O)=O)CNC(=O)N[C@@H]1CCCC1(C)C 78332731 WJZOTBSVENOTEX-GFCCVEGCSA-N 318.483 2.325 0 40 DEAB Cc1cc(C)n(CCOC(=O)c2cc(=O)[nH]c3ccccc23)n1 42776875 JRPMPZCIACTYQS-UHFFFAOYSA-N 311.341 2.198 0 40 DEAB COc1cccc(NC(=O)C(=O)NCCCc2ccccc2)c1 5184150 QYBRWBJFGLRODX-UHFFFAOYSA-N 312.369 2.383 0 40 DEAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)cc1F 5403085 JGZMVBLVILYRCX-UHFFFAOYSA-N 320.345 2.430 0 40 DEAB CCc1cc(O)n2nc([C@@H]3CCCCN3C(=O)C3CC3)cc2n1 12161241 ZBEQDQSPTZSATP-AWEZNQCLSA-N 314.389 2.461 0 40 DEAB COc1ncc(C(=O)Nc2ccc(N3CCCC3)c(F)c2)cn1 19572055 UMXYBFBYXFPLAU-UHFFFAOYSA-N 316.336 2.477 0 40 DEAB C[C@H]1C(=O)NCCCN1C(=O)c1cccc(C(F)F)c1F 529139682 XWHPDEFRERGICM-QMMMGPOBSA-N 300.280 2.114 0 40 DEAB O=C([C@@H]1CCOC1)N1CC[C@H](c2noc(-c3ccccc3)n2)C1 238824274 DJAUXVYDACYQHL-UONOGXRCSA-N 313.357 2.089 0 40 DEAB O=C(CN1C(=O)COc2ccccc21)N1CCc2ccccc21 804283 PSQWODCPTPEOOA-UHFFFAOYSA-N 308.337 2.001 0 40 DEAB O=C(Nc1ccccc1-n1cncn1)c1ccc2c(c1)OCO2 24999568 MAMRRTALWFBARY-UHFFFAOYSA-N 308.297 2.248 0 40 DEAB COC(=O)c1ccc(N2CCN(c3ccccc3F)CC2)nc1 20404837 GTUUPASGOKJIEG-UHFFFAOYSA-N 315.348 2.334 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)C1CC(F)(F)C1)C2 1565547078 MXSLZEZXBDJVNC-TZMCWYRMSA-N 303.349 2.076 0 40 DEAB COC(=O)Cc1cc(O)n(-c2ccc(C(F)(F)F)cc2)n1 9482713 HAFJMLYAYNTPOT-UHFFFAOYSA-N 300.236 2.312 0 40 DEAB O=C(NCc1cn(-c2cccnc2)nn1)c1cc2ccccc2o1 575617498 DKFVJDVNNLDLIQ-UHFFFAOYSA-N 319.324 2.339 0 40 DEAB Cc1nn(C)c2ncc(C(=O)Nc3ccc4[nH]ncc4c3)cc12 97054236 OEQBNWFUXSPQSO-UHFFFAOYSA-N 306.329 2.405 0 40 DEAB Nc1nc(Cl)cc(NC2CCN(C(=O)c3ccco3)CC2)n1 40490515 UEQMUNPWOGBBQY-UHFFFAOYSA-N 321.768 2.022 0 40 DEAB CSCCC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 40535758 KUMHZNBGWSLQDB-BETUJISGSA-N 323.462 2.065 0 40 DEAB 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FVVDUDVGEHLAIL-UHFFFAOYSA-N 318.373 2.408 0 40 DEAB CC1=C(C(=O)Nc2cc(C)on2)[C@H](c2cccs2)NC(=O)N1 11552307 IHHIAQIPVWQRES-LBPRGKRZSA-N 318.358 2.311 0 40 DEAB C[C@@H](NC(=O)c1cc(C2CC2)on1)c1nnc2n1CCCCC2 29256003 PZHALDJWMOODQO-SNVBAGLBSA-N 315.377 2.361 0 40 DEAB O=C(c1cc(-c2ccco2)[nH]n1)N1CCS[C@H]2COCC[C@H]21 95425924 JJIDYAIMSOUGBV-OCCSQVGLSA-N 319.386 2.016 0 40 DEAB O=C(Cc1ccc2c(c1)CCO2)N1CCO[C@@H]2CCCC[C@@H]21 46494456 JKUYJGFFMQMDQX-DOTOQJQBSA-N 301.386 2.334 0 40 DEAB Cc1ncc(CN2CC[C@@]3(CCC[C@H]3C(=O)NC(C)C)C2)cn1 108531001 OQPOQXVHXIXFSI-WMZOPIPTSA-N 316.449 2.302 0 40 DEAB COc1ccccc1N1CCN([C@@H](C)c2nnc(C)o2)CC1 48274439 VZMGZAOKAVHMDS-LBPRGKRZSA-N 302.378 2.270 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)NCCNc1ncccn1 48235085 QUFADEKRWWAJSX-UHFFFAOYSA-N 305.407 2.207 0 40 DEAB CC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)s2)CC1 48287081 LHBGHGJRZMEEQL-VIFPVBQESA-N 315.826 2.336 0 40 DEAB CO[C@@](C)(C(=O)NC[C@@H](O)Cc1ccccc1)c1ccccc1 95417031 HPJUYDOUQWZWJN-PKOBYXMFSA-N 313.397 2.268 0 40 DEAB COC1=C(Br)C(=O)N/C1=C(/OC)c1ccccc1 104270746 FJPAOTNNRMGABB-ZHACJKMWSA-N 310.147 2.384 0 40 DEAB Cn1c(CSCc2cccc(Cl)c2)cc(=O)n(C)c1=O 12869511 JJFVSZCOVSZGDU-UHFFFAOYSA-N 310.806 2.171 0 40 DEAB CCc1ccccc1NC(=O)C[C@@H](C)N[C@H](C)Cn1cncn1 95421171 PHCIOCPEHVFIRX-ZIAGYGMSSA-N 315.421 2.236 0 40 DEAB O=C(NCC1CCCC1)N1CCN(C(=O)N2CCCCC2)CC1 65513302 WJXBFLVZUMCMFV-UHFFFAOYSA-N 322.453 2.110 0 40 DEAB COCCOc1cc(C)ccc1NC(=O)N1CCC[C@@H](O)C1 65622053 GFPYZMUJYOMVTP-CYBMUJFWSA-N 308.378 2.009 0 40 DEAB CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)C)c1 90003298 PJQYUMJWGLHGDD-LBPRGKRZSA-N 312.435 2.499 0 40 DEAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1COc2ccccc2C1 15515265 XLNUYZYTIBOQQW-NSHDSACASA-N 309.325 2.046 0 40 DEAB COC(=O)CCS[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 7658559 SCUQJWQOFJHQQP-SECBINFHSA-N 311.359 2.039 0 40 DEAB COC(=O)[C@@H]1CCCN1Cc1cccc(C(=O)NCC(C)C)c1 71907788 WCOGJHRYJXANMM-INIZCTEOSA-N 318.417 2.210 0 40 DEAB C[C@@H](CNC(=O)NC[C@H]1CCCOC1)Oc1ccccc1F 175747897 AMFJEAKLIPIWGK-QWHCGFSZSA-N 310.369 2.319 0 40 DEAB COC(=O)C1(NC(=O)c2ccc3c(c2)nc(C)n3C)CCCC1 69445117 YBRDYOUMFGEUJT-UHFFFAOYSA-N 315.373 2.097 0 40 DEAB O=C(c1cncc(F)c1)N1CCN(c2ccncc2Cl)CC1 97021413 QLPAEDJHNBZSEC-UHFFFAOYSA-N 320.755 2.232 0 40 DEAB Cc1ncn(C[C@H](O)COCc2ccccc2Cl)c(=O)c1C 97082237 ZRLDGNRIHHPZNU-AWEZNQCLSA-N 322.792 2.091 0 40 DEAB CCn1ccnc1CN1CCCN(C(=O)[C@@H]2CC=CCC2)CC1 69772074 VZVSFOFHZADTCT-MRXNPFEDSA-N 316.449 2.294 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@@H]1Cn1cccn1 69770564 IQAXQTULSUFWKP-SWLSCSKDSA-N 315.421 2.028 0 40 DEAB O=C(N[C@@H]1CCCNC1=O)N[C@@H](c1ccccc1)C1CCCC1 69743306 MEBGPMSYJOYXLB-CVEARBPZSA-N 315.417 2.496 0 40 DEAB CC(C)(NC(=O)CC1(Sc2ccccc2)CCC1)C(N)=O 97081185 ZJLRSWOJPSYSIH-UHFFFAOYSA-N 306.431 2.472 0 40 DEAB C[C@H](NCC(=O)Nc1ccc(Cl)cn1)[C@@H](C)n1cccn1 69902006 RBYCBBYTTIUKKL-WDEREUQCSA-N 307.785 2.109 0 40 DEAB Cc1cc(C)n([C@@H](C)C(=O)NC[C@@](C)(O)c2ccsc2)n1 72306599 GBCGLHFEWVAFSD-SWLSCSKDSA-N 307.419 2.146 0 40 DEAB CCNC(=O)C1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C1 72313808 FWLUDCKMDNCTHI-UHFFFAOYSA-N 324.808 2.092 0 40 DEAB Cc1nnc(-c2ccc(NC(=O)NC3CCN(C)CC3)cc2)o1 72309740 GRAIIAXDUWDKPC-UHFFFAOYSA-N 315.377 2.261 0 40 DEAB Cc1c(F)cc(C(N)=O)cc1NCC(=O)NCc1cccs1 89534615 ZULXKVUNLKTPKG-UHFFFAOYSA-N 321.377 2.023 0 40 DEAB COc1cccc(CN(C)C(=O)CNC(=O)CC2CCCC2)c1 75126544 GJTOQBHVFDSJDY-UHFFFAOYSA-N 318.417 2.350 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)no1 76043499 KCMBZPFRICOVDH-PRHODGIISA-N 304.350 2.450 0 40 DEAB CCOC(=O)c1nn(C(F)F)cc1I 408715900 GNUOGGSWXBPGFB-UHFFFAOYSA-N 316.045 2.060 0 40 DEAB CN(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cn1 22421015 SZNYXIVOOSMGCX-UHFFFAOYSA-N 313.357 2.448 0 40 DEAB Cn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(F)ccc21 22236204 ORYYJBQKZNXUEY-UHFFFAOYSA-N 311.316 2.003 0 40 DEAB CC(C)n1cnc([C@H]2CN(C)C[C@@]23CCN(CC2CC2)C3=O)c1 306142147 WRFXBDXVSCABTR-QAPCUYQASA-N 316.449 2.122 0 40 DEAB O=C(O)[C@H]1CS[C@H](Cc2c(Cl)cccc2Cl)C(=O)N1 62712190 JAISNYFYCYURET-NXEZZACHSA-N 320.197 2.221 0 40 DEAB Cc1cc(C[C@H](C)NC(=O)N[C@H]2CC(C)(C)OC2(C)C)n[nH]1 181557572 UZQSWEHHUVVPJM-GWCFXTLKSA-N 308.426 2.294 0 40 DEAB CCOC(=O)c1ccc(CNC(=O)c2ccc(Cl)cn2)o1 79589313 NBXUVQAQRYFTDB-UHFFFAOYSA-N 308.721 2.435 0 40 DEAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCn1ncc2ccccc21 71195868 WXEAOGXLXFNPTE-HNNXBMFYSA-N 323.400 2.354 0 40 DEAB Cc1cc(C)n(-c2ccc(NC[C@@H]3CCCC[C@H]3O)nn2)n1 77237611 UZUVVJZUOCINHT-UONOGXRCSA-N 301.394 2.242 0 40 DEAB O=C(N[C@@H]1C[C@]12CCOc1ccccc12)[C@@H](O)c1ccccc1 195547538 QQMGNLCWBRDPSN-AOIWGVFYSA-N 309.365 2.329 0 40 DEAB O=C(NCCCc1ccc(O)cc1)N1CCOC[C@H]1C1CC1 89900105 APCVJLDLOBPROL-INIZCTEOSA-N 304.390 2.145 0 40 DEAB CCCc1onc(C)c1C(=O)N[C@H](CC(N)=O)C1CCCCC1 84155004 ASJMSZIVBBJMNS-CYBMUJFWSA-N 321.421 2.490 0 40 DEAB O=C(O)C[C@@H](CC(=O)NCCCn1cccn1)c1ccccc1 226750786 QKLNTMMSRYWBHZ-OAHLLOKOSA-N 315.373 2.038 0 40 DEAB C[C@@H](NC(=O)c1cc(O)n(C)n1)c1ncc(-c2ccccc2)o1 1586588239 GQAFDHOQBXJYOY-SNVBAGLBSA-N 312.329 2.272 0 40 DEAB Cc1ccc([C@@](C)(O)CNC(=O)c2cc(CC(C)C)n[nH]2)o1 80901854 LWCUUTKWDKOILY-INIZCTEOSA-N 305.378 2.147 0 40 DEAB Cc1occc1C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 96432142 GBEOPZVTYKXBKD-OIISXLGYSA-N 324.380 2.475 0 40 DEAB O=C(/C=C/c1ccsc1)OCc1nnnn1-c1ccccc1 17718292 QNECQYLEDWQDTB-VOTSOKGWSA-N 312.354 2.480 0 40 DEAB c1ccc(-c2nnn3c2CO[C@@H](CNCc2ccncc2)C3)cc1 96061092 LWZCQNLGTLNRSW-INIZCTEOSA-N 321.384 2.029 0 40 DEAB Cc1cc(C(=O)N2CCN(CC3CC3)c3ncccc3C2)no1 96198925 DEDNCPXQEAORHH-UHFFFAOYSA-N 312.373 2.250 0 40 DEAB CO[C@@H]1CC[C@@H]2OCCN(C(=O)Cc3cccc(C)c3)[C@@H]2C1 95437811 GYLDSTDDNJOCBZ-ZACQAIPSSA-N 303.402 2.332 0 40 DEAB C[C@H]1CN=C(N2CCN(C(=O)Cc3ccccc3F)CC2)S1 96426950 GLWXCNZTLNPDJJ-LBPRGKRZSA-N 321.421 2.004 0 40 DEAB CO[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)s2)[C@H](CN)C1 230306849 IJTHJZDBAILCTL-GARJFASQSA-N 316.854 2.470 0 40 DEAB Cn1cc(NC[C@@H]2CCC[C@@H]3CN(c4ncccn4)C[C@@H]32)cn1 96081917 JJTAZXYTIBVVAW-SQWLQELKSA-N 312.421 2.175 0 40 DEAB COCCN1CCC(NC(=O)/C=C(/C)c2ccc(F)cc2)CC1 96402386 CMWRSAXLDBQJCV-YPKPFQOOSA-N 320.408 2.456 0 40 DEAB O=C(C1=CCCC1)N1C[C@@H]2COC[C@]2(COc2ccccn2)C1 96109061 HDPGPIMTPXJAEK-QAPCUYQASA-N 314.385 2.046 0 40 DEAB CCN(C)c1ccccc1CNC(=O)N(C)C[C@@H]1CCC[C@H]1O 245289898 FYOLWTSJIAYRFQ-DOTOQJQBSA-N 319.449 2.445 0 40 DEAB Cc1noc(C)c1C(=O)NCc1cnc([C@H]2CCCCO2)nc1 257199915 ABGJWLJPJPYXSL-CYBMUJFWSA-N 316.361 2.253 0 40 DEAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2C(=O)c2coc(C)n2)cc1 585277740 OTZMPPLMGKGHOY-IRXDYDNUSA-N 314.385 2.500 0 40 DEAB Cc1cccc(OC[C@@]2(O)CCCN(C3CCOCC3)C2)c1 585269260 NGTWKSRGPOILKT-GOSISDBHSA-N 305.418 2.380 0 40 DEAB COc1cc(F)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1OC 32804247 QPFROWCYQLKEPX-JTQLQIEISA-N 317.382 2.406 0 40 DEAB Cc1ncsc1C(=O)N1CCC[C@H](COc2ncccn2)C1 1775995359 PRRMUTKLDLFLFX-LBPRGKRZSA-N 318.402 2.173 0 40 DEAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 40466483 DVDCGPXXYBGZFE-ZETCQYMHSA-N 308.186 2.367 0 40 DEAB CC(C)c1nncn1CCNC(=O)[C@@H]1CSc2ccccc21 78954089 DDJRCJJSZCVZFF-CYBMUJFWSA-N 316.430 2.407 0 40 DEAB CNC(=O)[C@@H]1CCCN(c2nc3ccc(OC)cc3s2)C1 85474007 XUCDQLVCXFAAMZ-SNVBAGLBSA-N 305.403 2.267 0 40 DEAB CO[C@@]1(CNC(=O)COc2ccc(Cl)cc2)CCSC1 96097600 SHORVTFVHJYPQY-CQSZACIVSA-N 315.822 2.357 0 40 DEAB CCN(CC)Cc1ccc(C(=O)N[C@H](C)Cn2cccn2)o1 42501377 HCFOJYWHRLRPRU-CYBMUJFWSA-N 304.394 2.136 0 40 DEAB C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(F)ccc1Cl 96485340 VJTNXRNONFKHJV-SKDRFNHKSA-N 321.801 2.403 0 40 DEAB COCCOc1cc(C(=O)NCc2cccc(OC)c2)ccn1 182351136 MNBKISJRLOLQMP-UHFFFAOYSA-N 316.357 2.045 0 40 DEAB Cn1c(Cc2cccs2)nnc1SCC(=O)NC(C)(C)C 5579509 WFZZHMULBOXYJX-UHFFFAOYSA-N 324.475 2.474 0 40 DEAB Cc1nc2cc([C@H]3CCCCN3C(=O)C3CC3)nn2c(O)c1F 12337826 BKYHYHAJZKCMAJ-GFCCVEGCSA-N 318.352 2.346 0 40 DEAB COc1ccc(S(=O)(=O)Nc2ncccc2C)cc1OC 13947624 ZVSZDAPMBMWBMM-UHFFFAOYSA-N 308.359 2.208 0 40 DEAB CCOc1ccc([C@@H](C)N(C)C(=O)c2ccc(=O)n(C)n2)cc1 19532644 ZVOFHWJBIHCAQU-GFCCVEGCSA-N 315.373 2.012 0 40 DEAB CN(C)c1nccc(CNC(=O)c2ccc(F)cc2Cl)n1 207980154 MVKHISTXFCGGIN-UHFFFAOYSA-N 308.744 2.265 0 40 DEAB CC(C)/C=C/C(=O)N1CC[C@@H]2C[C@]21C(=O)N1CCC(C)CC1 2056225407 SZELFQIFOPDIPX-CHABLROBSA-N 304.434 2.448 0 40 DEAB O=C1NC(=O)c2cc(NC(=O)c3c(F)cccc3F)ccc21 4284081 ICRNCLNOIJDXTP-UHFFFAOYSA-N 302.236 2.101 0 40 DEAB COc1cccc(C(=O)NCc2nnnn2C2CCCCC2)c1 10594140 XAIVPDPOQMVKJB-UHFFFAOYSA-N 315.377 2.117 0 40 DEAB Cc1cc(C(=O)N[C@H](c2cccnc2)C2CCOCC2)n(C)n1 225622473 SFBPKPULHHURIC-INIZCTEOSA-N 314.389 2.021 0 40 DEAB Cc1ccc(NC(=O)CN2CCOCC2)cc1Br 20029178 UXZAXIQWISSMJP-UHFFFAOYSA-N 313.195 2.028 0 40 DEAB COc1ccc2c(c1)CCCN2C(=O)CN1CCSCC1 40540650 SKBMOJYDRBFZPP-UHFFFAOYSA-N 306.431 2.023 0 40 DEAB CCCS(=O)(=O)c1ccccc1C(=O)NCc1ccccn1 20612974 SMHSQDCSAVFZBW-UHFFFAOYSA-N 318.398 2.195 0 40 DEAB O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)cc1 543089 ATYAFEGNENWUFL-UHFFFAOYSA-N 300.289 2.190 0 40 DEAB aggregator CN(CC(=O)NC(C)(C)C)C(=O)c1cc(-c2cccs2)on1 41999051 QTCQHKIZRBRWOK-UHFFFAOYSA-N 321.402 2.390 0 40 DEAB CCCN(C)C(=O)c1ccc2c(=O)n(CC)c(S)nc2c1 104002623 GBWPONQUKGSEAB-UHFFFAOYSA-N 305.403 2.187 0 40 DEAB CNC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 23180899 ZTTNKTAKRQIZDU-UHFFFAOYSA-N 308.809 2.257 0 40 DEAB CC(=O)Nc1nc(C(=O)NCCCN2CCCC[C@H]2C)cs1 42723292 HBKNILIQPXMZLM-LLVKDONJSA-N 324.450 2.096 0 40 DEAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(=S)N1 71663 IJDZYBUVPHQTHX-SNVBAGLBSA-N 316.213 2.272 0 40 DEAB C[C@H]1CCN(C(=O)CN2CCC[C@@H](O)C2)c2ccccc2S1 105755135 ULTRYUGMBRTMPF-UONOGXRCSA-N 320.458 2.361 0 40 DEAB c1ccc(-n2cnc(OCc3n[nH]c(-c4cccnc4)n3)n2)cc1 3125222 CNIIYABIGNMLJL-UHFFFAOYSA-N 319.328 2.026 0 40 DEAB CS(=O)(=O)Cc1noc(CSc2ccc(F)c(F)c2)n1 78950215 GLXPYBASCIAXBK-UHFFFAOYSA-N 320.342 2.185 0 40 DEAB O=C(O)c1cn(-c2ccc([N+](=O)[O-])cc2)nc1C(F)(F)F 2523136 MAWDXRFGGHPGAG-UHFFFAOYSA-N 301.180 2.498 0 40 DEAB CCCCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 6397854 DWURZRDSSWQIAN-GFCCVEGCSA-N 315.460 2.454 0 40 DEAB Cc1nn(C)c(C)c1/C=C/C(=O)Oc1cccc(-c2nc[nH]n2)c1 75145698 UZXGEGKFGHVAJO-BQYQJAHWSA-N 323.356 2.441 0 40 DEAB CCCN(CCC)C(=O)CSc1nc2cc(C)[nH]c2c(=O)[nH]1 57520854 IUDIBKVJDIISMQ-UHFFFAOYSA-N 322.434 2.300 0 40 DEAB Cn1nc(-c2cccs2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CO 8635302 ZGNLAIYNIMJPEJ-XQQFMLRXSA-N 303.431 2.319 0 40 DEAB biogenic,in-vitro COc1ccc(O)c(NC(=S)NC(=O)Cc2ccccc2)c1 9064260 WQRMUQVZWUWLIO-UHFFFAOYSA-N 316.382 2.457 0 40 DEAB Cc1noc(C)c1CN(C)C(=O)c1ccnc(-n2ccnc2)c1 58103575 IZAZLTOIRDSQFH-UHFFFAOYSA-N 311.345 2.144 0 40 DEAB Cc1ccc(-c2cnc(CCC(=O)N3CCOCC3)o2)cc1 44893608 QHTIFBITUDVPSL-UHFFFAOYSA-N 300.358 2.441 0 40 DEAB Cc1noc(C)c1CCC(=O)NCCN1CCc2ccccc21 58266586 CJIPUGWVWYNSMQ-UHFFFAOYSA-N 313.401 2.403 0 40 DEAB C[C@@H](CNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)N(C)C 58365076 LVHCEUJXVSPXEZ-GOEBONIOSA-N 321.440 2.104 0 40 DEAB CN(C)CCn1cc(C(=O)NCC(F)(F)F)c2ccccc21 58424141 CPHGXMSGZDJVBH-UHFFFAOYSA-N 313.323 2.495 0 40 DEAB O=C(Nc1ccccc1N1CCOCC1)c1ccnc(F)c1 58414366 KAUAQYZMXSQIQW-UHFFFAOYSA-N 301.321 2.310 0 40 DEAB CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1F 12605548 VMHRFLHDQWYCFC-UHFFFAOYSA-N 322.361 2.127 0 40 DEAB COc1ccccc1C(=O)N1CCN(c2nccs2)CC1 12758801 PLBJPIYUAOQDBS-UHFFFAOYSA-N 303.387 2.114 0 40 DEAB C[C@H](Nc1cccc(C(=O)NC2CC2)c1)C(=O)N1CCCC1 12796329 GOKPMRFTGVYLPU-LBPRGKRZSA-N 301.390 2.002 0 40 DEAB NC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2cccs2)C1 48368877 AQFBZPPUNHZXDO-NWDGAFQWSA-N 307.419 2.202 0 40 DEAB O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccc(F)c1 3564581 VFTDEFYEAIFHMZ-UHFFFAOYSA-N 313.284 2.279 0 40 DEAB COc1ccc(CCCNC(=O)c2cccnc2)cc1OC 65086108 AIJJUPWVDYHJSP-UHFFFAOYSA-N 300.358 2.461 0 40 DEAB O=C(NCC[C@@H](O)c1ccccc1)c1ccc(-n2ccnn2)cc1 89843724 OISZEAUPZSWDBM-QGZVFWFLSA-N 322.368 2.121 0 40 DEAB Cc1ccc(C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cn1 48957795 ZCYUDCSARMZSRL-KRWDZBQOSA-N 323.396 2.484 0 40 DEAB Cc1cnn(C[C@@H]2CCCN2C(=O)Cc2cn3ccccc3n2)c1 75602049 NEPITJTYVNKMCM-INIZCTEOSA-N 323.400 2.073 0 40 DEAB COc1ccccc1NC(=O)Cn1c(CO)nc2ccccc21 5186232 GQXGOKMIDKKEID-UHFFFAOYSA-N 311.341 2.176 0 40 DEAB O=C1C[C@H]2c3ccccc3[C@@H]1[C@H]1C(=O)N(c3cccnc3)C(=O)[C@H]21 4320363 WUBBQKFOTWRYOJ-QMCVQRASSA-N 318.332 2.041 0 40 DEAB C[C@@H](C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1)n1cncn1 65505012 USSFBGNSJBFEHW-SMDDNHRTSA-N 320.780 2.093 0 40 DEAB c1ccc(-n2nnnc2CN2CCOc3ccccc3C2)cc1 65595197 AABYXQSUPPOEFY-UHFFFAOYSA-N 307.357 2.057 0 40 DEAB Cc1noc([C@H](C)N2CCN(CCc3cccs3)CC2)n1 65610637 OJLKIQWBJGKQJV-LBPRGKRZSA-N 306.435 2.361 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)NCCCC1CCCC1 24760042 MPTVEQDSKKJBKQ-UHFFFAOYSA-N 314.385 2.369 0 40 DEAB CCOC(=O)c1c(C)c(=O)oc2c1c(O)nn2-c1ccccc1 5686425 IWVIUWNHXQDGCC-UHFFFAOYSA-N 314.297 2.169 0 40 DEAB Cc1nonc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 76040696 RDVQYFNOKFBCQH-AWEZNQCLSA-N 314.345 2.070 0 40 DEAB Cc1cc(-n2c(C)cc(C(=O)CSc3ncn[nH]3)c2C)no1 5737397 KOODNDYUDBBCDQ-UHFFFAOYSA-N 317.374 2.484 0 40 DEAB Cc1c(S(C)(=O)=O)c(-n2cccc2)n(CCCN(C)C)c1C 6825231 KRMMCKZHBXILNU-UHFFFAOYSA-N 323.462 2.251 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)COc3ccc(F)cc32)cc1 15019873 CKUUFSGSXUNZNJ-UHFFFAOYSA-N 314.316 2.498 0 40 DEAB CCOC(=O)c1sc([C@@H](C)NC(=O)c2cccn2C)nc1C 96462271 AWRFQQMKNSRSTN-SNVBAGLBSA-N 321.402 2.458 0 40 DEAB CC(=O)N[C@H]1CCCN(C(=O)COc2ccc(C)cc2Cl)C1 96475801 ZIAFGYLDWSHUED-ZDUSSCGKSA-N 324.808 2.154 0 40 DEAB CC(C)(C)OC(=O)N1C=CC(I)=C(N)C1 71606438 WHYZYNZJSIKMFS-UHFFFAOYSA-N 322.146 2.356 0 40 DEAB CCN(C(=O)CN(C)CC(=O)NC(C)(C)C)C1=CCCCC1 7660741 ONJLIGCBZSBXSG-UHFFFAOYSA-N 309.454 2.139 0 40 DEAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1Cn1cccn1 71875398 YHWFDWYLKWCCAM-UONOGXRCSA-N 323.400 2.345 0 40 DEAB CN(Cc1csc(C(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 71844462 PMSQCUYQFFMXAG-NSHDSACASA-N 302.465 2.060 0 40 DEAB Cn1cnnc1CCNC(=O)C1(c2ccc(F)cc2)CCCC1 69350039 FMQAWNITKLGOOG-UHFFFAOYSA-N 316.380 2.125 0 40 DEAB O=C(CN1C(=O)CCOc2ccccc21)N1CCc2ccccc21 8315938 FFTFJBDKDQUWDP-UHFFFAOYSA-N 322.364 2.391 0 40 DEAB CC(C)(C)OC(=O)NC[C@@H]1CCCN1c1ncnc2[nH]ccc12 95966500 ILVBRNJDXGKVFH-NSHDSACASA-N 317.393 2.451 0 40 DEAB O=C(O)[C@H](Cc1ccccc1)N1C(=O)CC2(CCCC2)C1=O 64875752 BIWYGSFMZHDGCK-ZDUSSCGKSA-N 301.342 2.002 0 40 DEAB COc1ccc(-c2nsc(NC(=O)[C@@H]3CCOC3)n2)cc1 69657958 DGCXGYZJPBRGQT-SNVBAGLBSA-N 305.359 2.189 0 40 DEAB Cc1noc(Cl)c1CC(=O)N1CCC[C@H]1c1cnn(C)c1 69669252 ZJVXSYJPEABKMK-LBPRGKRZSA-N 308.769 2.276 0 40 DEAB CCn1nnc2cc(C(=O)Nc3cccc(C(=O)NC)c3)ccc21 9613777 PQDYCJTWYRKCCP-UHFFFAOYSA-N 323.356 2.063 0 40 DEAB Cc1ccc(O)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 23457687 YNNDZPYZYHVPEB-UHFFFAOYSA-N 320.389 2.394 0 40 DEAB COc1ccc([C@@H](C)N(C)C(=O)[C@@H]2CCN(C)C(=O)C2)cc1 95948248 DRSLNZWFHCSMEO-TZMCWYRMSA-N 304.390 2.083 0 40 DEAB O=C(CNC[C@@H]1CCCO1)Nc1ccccc1Br 20055640 JEFLAPBSFOFYON-JTQLQIEISA-N 313.195 2.156 0 40 DEAB CC1(C)C[C@H](NC(=O)N[C@H](CO)c2ccccc2)C(C)(C)O1 95995201 ATFNQQJUJQDBPX-KGLIPLIRSA-N 306.406 2.365 0 40 DEAB COc1ccc2c(c1)OC[C@H](NC(=O)c1csnc1C)C2 97080482 BVVIVUVJDLXBGA-LLVKDONJSA-N 304.371 2.194 0 40 DEAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](n2cncn2)C1 72295652 XCOMGTKXAZJSAS-CHWSQXEVSA-N 304.419 2.382 0 40 DEAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](n2cncn2)C1 72295649 XCOMGTKXAZJSAS-STQMWFEESA-N 304.419 2.382 0 40 DEAB CCOC(=O)NCCNC(=O)c1cc2c(C)cc(F)cc2[nH]1 72286841 LOOLFCMNMZWCEC-UHFFFAOYSA-N 307.325 2.091 0 40 DEAB Cc1cc(COC(=O)c2ccc(N3CCCC3)nc2)nc(C)n1 97164193 KNBVNFHDBBTQAG-UHFFFAOYSA-N 312.373 2.446 0 40 DEAB Cc1ccc(NC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)cc1 72311256 HRCJVTSAHHZWSW-GFCCVEGCSA-N 310.419 2.424 0 40 DEAB NC(=O)c1ccc(CN2CC[C@@H](CNc3ccccn3)C2)cc1 97200609 ZLPQUHXTSZJMTH-HNNXBMFYSA-N 310.401 2.115 0 40 DEAB O=C1NC(=O)C2(CCC(c3nc(-c4cccs4)no3)CC2)N1 95394377 VUQFPZMGPBVKBS-UHFFFAOYSA-N 318.358 2.034 0 40 DEAB CCCS(=O)(=O)Nc1c(C)nn(C)c1Oc1cccnc1 95448009 ZUYHKAHIUZFBDT-UHFFFAOYSA-N 310.379 2.068 0 40 DEAB CCn1cc(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)cn1 95447542 GJGQCIPKVAUPLS-CQSZACIVSA-N 316.380 2.441 0 40 DEAB CC(=O)N[C@@]1(c2nc(C)cs2)CCN(c2ccccn2)C1 548334329 YVCWMSCFKDNGMY-HNNXBMFYSA-N 302.403 2.088 0 40 DEAB Nc1nc(N)nc(NCc2ccc(Oc3ccccc3)cc2)n1 1559092010 ZGFCIEYYWCKIOK-UHFFFAOYSA-N 308.345 2.440 0 40 DEAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)C2=NNC(=O)CC2)C2CC2)o1 65624792 MTIIJTUEOLUWKB-GWCFXTLKSA-N 315.373 2.160 0 40 DEAB NC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 78979095 AGTHBCBQHKYVKR-SNVBAGLBSA-N 313.760 2.142 0 40 DEAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1 79320759 TVFIBRVTSQYLEM-OWCLPIDISA-N 300.402 2.450 0 40 DEAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cc[nH]n2)n1 72378574 ZFQVWWJJMHAKSK-HNNXBMFYSA-N 322.372 2.276 0 40 DEAB CCOc1ncc(C(=O)N(C)Cc2nc(CC)no2)cc1Cl 78999864 ZALJLJUJDYMOCH-UHFFFAOYSA-N 324.768 2.351 0 40 DEAB C[C@H]1C(=O)[C@@]23C[C@@]14C=CCN1CC[C@@]2(c2ccccc2NC3=O)[C@@H]14 38846721 RVVXEECWQBKQNP-DJKGFLTMSA-N 320.392 2.116 0 40 DEAB biogenic Cc1cc(-c2cnc(N3CCN(C)CC3)nc2C(C)(C)C)on1 72341131 HTAKFVXEZCHQTE-UHFFFAOYSA-N 315.421 2.489 0 40 DEAB CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccnc1 30952986 SPYZCOUERFRWIL-KRWDZBQOSA-N 322.368 2.249 0 40 DEAB O=C(Nc1nc(C(=O)N2CCc3ccccc3C2)co1)C1CC1 75157932 BXOLYDXKPBGGAU-UHFFFAOYSA-N 311.341 2.222 0 40 DEAB Cc1cc(CCNC(=O)c2cncc(Br)c2)on1 77122266 LAOORLJXENIUFT-UHFFFAOYSA-N 310.151 2.113 0 40 DEAB CN(C)CCNc1nc2ccccc2c(=O)n1Cc1ccccc1 71283256 XDLPTLYDDMHNJY-UHFFFAOYSA-N 322.412 2.418 0 40 DEAB CCN(Cc1ccccc1)C[C@@H]1CCN(C(=O)[C@@H](N)C(C)C)C1 79415816 QJEGCWHYPAAKGS-ROUUACIJSA-N 317.477 2.340 0 40 DEAB CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(O)cc1O2 225819256 CLMLBSXHGKGYMR-UHFFFAOYSA-N 305.330 2.349 0 40 DEAB Cc1noc(C)c1CO[C@@H]1CCN(CCO[C@@H]2CCCCO2)C1 225531939 ICDFJUZQUFHAHU-NVXWUHKLSA-N 324.421 2.426 0 40 DEAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1cccnc1 222746048 GAGIOEIVGCLNIX-CQSZACIVSA-N 311.385 2.135 0 40 DEAB C[C@]1(NS(=O)(=O)c2cccc3c2OCCO3)CC=CCC1 333923469 SEZYFPSAGJJVLD-HNNXBMFYSA-N 309.387 2.235 0 40 DEAB O=C(c1ccco1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96073524 YSPPTCSYNCGISD-YOEHRIQHSA-N 305.374 2.470 0 40 DEAB CC(C)=CC(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O 96455961 JVWMMTJMQUEGGY-INIZCTEOSA-N 300.402 2.303 0 40 DEAB COC[C@@H]1CC2(CCN(C(=O)Cc3cccs3)CC2)CO1 96105782 RIPSWTZDWHYVTH-ZDUSSCGKSA-N 309.431 2.335 0 40 DEAB Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)no1 97954355 MMUMESFOYYERQY-QWHCGFSZSA-N 317.370 2.065 0 40 DEAB O=C(c1ccccn1)N1CCC2(CC1)CCN(c1ncccn1)C2 96046606 RSKMJBNPXZTJAZ-UHFFFAOYSA-N 323.400 2.004 0 40 DEAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)Cc1ccccn1)C2 96039372 MGQWBKBPNCTHDN-WMZOPIPTSA-N 318.417 2.058 0 40 DEAB COC[C@@H]1C[C@@H]2OCCN(C(=O)Cc3ccc(C)cc3)[C@H]2C1 96082693 ACNNPAOLVJTRKB-ULQDDVLXSA-N 303.402 2.190 0 40 DEAB CC[C@@](Br)([C@H](O)C(C)(C)C)S(=O)(=O)CC 96521729 XCGYSNRYXCBTAR-SCZZXKLOSA-N 301.246 2.329 0 40 DEAB CC(C)Cn1cc(NC(=O)N2CC[C@H](N3CCCC3)C2)cn1 96435523 YKJISONVWXNHBZ-HNNXBMFYSA-N 305.426 2.241 0 40 DEAB Cc1nc(C)c(C(=O)N2CCOC[C@H]2c2[nH]ncc2C)s1 257231095 GFFBWZNLHJJGQR-NSHDSACASA-N 306.391 2.005 0 40 DEAB CC(=O)N1CC[C@H](Cc2cncc(-c3cnn(C(C)C)c3)n2)C1 257334751 YHGGHTIAEBAVOY-CQSZACIVSA-N 313.405 2.332 0 40 DEAB Fc1cccc(CN2CC3(CO[C@H](Cc4cncnc4)C3)C2)c1 257272142 NBGGMTOYSGHPLC-QGZVFWFLSA-N 313.376 2.449 0 40 DEAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2cc3c(s2)CCC3)n1 257344747 ZYNMIUBUGAWOTC-GFCCVEGCSA-N 317.414 2.482 0 40 DEAB Cc1nn(C)c2nc([C@H]3CCCN(C(=O)c4cc[nH]n4)C3)ccc12 257264979 LWUMFCXFJIOLDX-LBPRGKRZSA-N 324.388 2.020 0 40 DEAB OC[C@@]12CO[C@H]([C@@H]3CC=CCC3)N1[C@@H]([C@H]1CC=CCC1)OC2 255189858 SPRUPSYFVXDQNB-ILOCAZANSA-N 305.418 2.445 0 40 DEAB CO[C@H]1CN(C(=O)Cc2ccccc2C)CC[C@@]12CCCO2 257329875 XLWBTGNWMFXKNW-WMZOPIPTSA-N 303.402 2.334 0 40 DEAB CN(C)C1CCN(C(C)(C)CN[C@H]2CCN3CCC[C@H]3C2)CC1 252487321 VLFKBJYQSRUVMU-WMZOPIPTSA-N 322.541 2.007 0 40 DEAB CN(C)Cc1cncc([C@H]2CCCN2Cc2cncs2)n1 257251874 JSPVBOASRDSLIS-OAHLLOKOSA-N 303.435 2.332 0 40 DEAB Cc1c[nH]c([C@@H]2CN(C(=O)c3nccc4ccccc34)CCO2)n1 257295368 QYAOTJOLNXYOLA-HNNXBMFYSA-N 322.368 2.480 0 40 DEAB CCOC[C@H]1CCn2cncc2CN1Cc1ccc(CO)cc1 585097516 MOSORZGLBLDPDX-QGZVFWFLSA-N 315.417 2.186 0 40 DEAB COCc1nnc2n1CCN(C(=O)c1cccc(Cl)c1)[C@@H]2C 585097520 KYYFRQVBNWZLKZ-SNVBAGLBSA-N 320.780 2.295 0 40 DEAB c1cncc(CN2Cc3ccnn3[C@@H](CCN3CCCC3)C2)c1 585112878 XRHOVHCBVDRIER-SFHVURJKSA-N 311.433 2.321 0 40 DEAB CN(C)S(=O)(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 69627662 LHVVUBOGNUTUIQ-HNNXBMFYSA-N 323.393 2.048 0 40 DEAB CCOc1ccc([C@H](C)NC(=O)[C@@H](C)n2cncn2)cc1OC 44915907 BPELQJBZTJDUJU-NWDGAFQWSA-N 318.377 2.124 0 40 DEAB O=C(NCc1nnc2n1CCC2)N(Cc1cccs1)C1CC1 45387396 MKUVELXSCVZRKY-UHFFFAOYSA-N 317.418 2.160 0 40 DEAB NC(=O)CCCNC(=O)c1[nH]c2ccc(Cl)cc2c1Cl 48966232 VTPKWPSECKONEJ-UHFFFAOYSA-N 314.172 2.470 0 40 DEAB COc1ccccc1CC(=O)N1CCC[C@H]1CN1CCCC1 58313424 HIODQZWHCMJRHU-INIZCTEOSA-N 302.418 2.325 0 40 DEAB C[C@H](CNC(=O)NCC(F)(F)F)N1CCc2ccccc2C1 41198829 LJONCOTZVISNPO-LLVKDONJSA-N 315.339 2.295 0 40 DEAB COc1cccc(COC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1OC 5527529 UMVSFPMJKOWIQI-OLZOCXBDSA-N 320.341 2.414 0 40 DEAB Cc1nc2sc(C)c(C)n2c(=O)c1NC(=O)c1cccnc1 11769215 TZNWZKUPWSSLRB-UHFFFAOYSA-N 314.370 2.329 0 40 DEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3cccnc3)cc2n1 12154038 IGYRIJDECVLCND-CQSZACIVSA-N 323.356 2.116 0 40 DEAB COCC(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1ccc(OC)cc1 12326924 XSPQAUCKCFNHNO-ZENOOKHLSA-N 305.374 2.100 0 40 DEAB O=C(c1cnccn1)N1CCC[C@H](c2cc3cccnc3[nH]2)C1 19346893 GUMFWIZYZGTWEL-ZDUSSCGKSA-N 307.357 2.373 0 40 DEAB CCCC(=O)N[C@H](c1cc(=O)[nH]c(-c2cccnc2)n1)C(C)C 19501726 AOGNLAJUAONOAS-INIZCTEOSA-N 314.389 2.445 0 40 DEAB Cc1cc(OCC(=O)OCC(=O)NCC(C)C)ccc1Cl 3487451 BYOYEOMAYIDSGM-UHFFFAOYSA-N 313.781 2.343 0 40 DEAB Cn1c(N2CCN(c3ccccc3F)CC2)nc2cccnc21 1888903766 UKQRQKQJYHZLSQ-UHFFFAOYSA-N 311.364 2.434 0 40 DEAB COC1CCN(S(=O)(=O)c2ccc(Cl)cc2F)CC1 10219773 VIKMUEDZHCKPSB-UHFFFAOYSA-N 307.774 2.279 0 40 DEAB CNC[C@@H]1CCCN(S(=O)(=O)c2cccc(Cl)c2F)C1 40598111 DFFKEJBXYZSUGH-JTQLQIEISA-N 320.817 2.099 0 40 DEAB O[C@H]1CCNCCCCCc2cc(Cl)ccc2OC[C@H]1O 2037971269 OXHGLZXIEBTESH-LSDHHAIUSA-N 313.825 2.147 0 40 DEAB CC1(C)OC(=O)N(CCC(=O)Nc2ccccc2F)[C@@]1(C)O 4776793 UQOQIHHUVWIGFR-HNNXBMFYSA-N 310.325 2.094 0 40 DEAB CCC(=O)/N=c1\sc2cc(OC)c(OC)cc2n1CCOC 101018163 QLTQVBLYNJRUHX-NXVVXOECSA-N 324.402 2.204 0 40 DEAB CN(C)c1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)cn1 31235238 OHFJNKGIOWOXQP-OAHLLOKOSA-N 324.428 2.404 0 40 DEAB CC(C)N(C)C(=O)C1CCN(Cc2nc(C3CC3)no2)CC1 40520474 DZXXZXRFJLUMOR-UHFFFAOYSA-N 306.410 2.026 0 40 DEAB CCCNC(=O)C1(NS(=O)(=O)c2ccccc2)CCCCC1 102412118 YLVMGADLZZWEPI-UHFFFAOYSA-N 324.446 2.194 0 40 DEAB CC(C)(C)c1ccc(N2C(=O)C[C@H]3CS(=O)(=O)C[C@H]32)cc1 32912255 YBJGQLZUEXRDEQ-SMDDNHRTSA-N 307.415 2.134 0 40 DEAB CN1N=C(C(=O)Nc2ccc3c4c(cccc24)CC3)CCC1=O 53721934 XRVKFKZYOYTNQL-UHFFFAOYSA-N 307.353 2.485 0 40 DEAB Oc1ccccc1N1CCN(Cc2nccn2C(F)F)CC1 24574080 RVMKYAMYFBMLEX-UHFFFAOYSA-N 308.332 2.306 0 40 DEAB CCc1nc2n(n1)C[C@H](NCc1nc3ccccc3nc1C)CC2 78783573 LEEIWLKXQCJDGJ-CYBMUJFWSA-N 322.416 2.197 0 40 DEAB Cc1cc(C)c2c(c1)CCCN2C(=O)CCCS(C)(=O)=O 78985716 SNLBNLBWYYZDNG-UHFFFAOYSA-N 309.431 2.407 0 40 DEAB COC[C@@H](O)CN(C)Cc1cc(F)cc(Br)c1 79014153 BPBDMIMZJZJZQS-LBPRGKRZSA-N 306.175 2.027 0 40 DEAB C[C@H]1c2cc(F)ccc2CCN1C(=O)c1cc(C(N)=O)c[nH]1 79018383 SJSFWHGGICCMKP-VIFPVBQESA-N 301.321 2.012 0 40 DEAB C[C@H]1C[C@@H](OCCOCCOS(=O)(=O)O)CC(C)(C)C1 1562419 KBFYJZOAKXESLS-NWDGAFQWSA-N 310.412 2.054 0 40 DEAB O=C([C@H](c1ccccc1)[C@@H](O)c1ccccc1)N1CCOCC1 1670717 JOGUEBOMDPDHHK-MSOLQXFVSA-N 311.381 2.363 0 40 DEAB Cc1nc(C)c(S(=O)(=O)Nc2c(F)cccc2CO)s1 95977426 RYOFTUKWZOXULC-UHFFFAOYSA-N 316.379 2.192 0 40 DEAB CN(CC(=O)Nc1ccccc1)C(=O)/C=C/c1nccs1 56977204 AUJGKDMJULEBRR-BQYQJAHWSA-N 301.371 2.253 0 40 DEAB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1F)CC(=O)N2 4944209 OKYWBFTWLLJAOZ-VIFPVBQESA-N 319.361 2.495 0 40 DEAB CCNC(=S)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1 6954146 LYLXVFKOUSJDMZ-MFOYZWKCSA-N 317.370 2.463 0 40 DEAB CCc1nnc(S/C(C(=O)O)=C2/C(=O)Nc3ccccc32)o1 7603434 SLIYULGVKAIGFM-ZHACJKMWSA-N 317.326 2.172 0 40 DEAB C[C@@H]1CC[C@@H]2C(=O)N(NC(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 7881725 NHIPRBYVXLJJST-JFGNBEQYSA-N 320.776 2.406 0 40 DEAB C[C@@H]1CN(C[C@@H](O)Cn2cc(-c3ccccc3)cn2)C[C@@H](C)O1 108361658 NIHLRDJQLMTERH-IIDMSEBBSA-N 315.417 2.020 0 40 DEAB Cc1cccc(CN2CC[C@]3(CCN([C@H]4CCOC4)C3)C2=O)c1 107194189 JSRGPKBCSAYGIF-PKOBYXMFSA-N 314.429 2.208 0 40 DEAB CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N(CC)CC)C1 57757699 NIGMRFMCBCXEPH-HNNXBMFYSA-N 317.389 2.053 0 40 DEAB c1coc(CN2CCC[C@]3(C[C@@H](Nc4cnccn4)CO3)C2)c1 107228591 FATITTZMVBCXFG-PBHICJAKSA-N 314.389 2.305 0 40 DEAB C[C@]12CC3CC(C(=O)NCCN4CCOCC4)(C1)C[C@](C)(C3)C2 100799684 AFAIYXKLJOBPAR-KNCVXQGMSA-N 320.477 2.431 0 40 DEAB O=C(NCc1ccc(OC2CCCC2)nc1)N1CCC(O)CC1 44968773 JEEGZKUNJALFGS-UHFFFAOYSA-N 319.405 2.069 0 40 DEAB Cc1ccc(N2CCC[C@H](Nc3ncnc4[nH]ccc34)C2)nn1 95351515 TXVFPEAAGHNXQS-LBPRGKRZSA-N 309.377 2.137 0 40 DEAB CN(C[C@@H]1CCCO1)C(=O)c1ccc(OCC(F)(F)F)nc1 58962955 FLZQTYAMKVQIRK-NSHDSACASA-N 318.295 2.274 0 40 DEAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc[n+]([O-])c1 58987720 IYDDYEAUOWEBKY-INIZCTEOSA-N 312.369 2.176 0 40 DEAB O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1c1ccsc1 45671264 VTFVQCRUWHEIDO-STQMWFEESA-N 307.419 2.263 0 40 DEAB O=C(NCCC(=O)N1CCC[C@H]1c1cccnc1)c1ccco1 29295316 OBUVQRHERACXPU-AWEZNQCLSA-N 313.357 2.158 0 40 DEAB CNS(=O)(=O)c1cccc(C(=O)N(C)CC2CCCCC2)c1 29289418 MGBQJPPGZUJFIW-UHFFFAOYSA-N 324.446 2.247 0 40 DEAB Cn1cncc1CN1CC[C@]2(C[C@@H](Nc3ccccc3)CO2)C1 107225914 VUUQRELFKPBGIM-AEFFLSMTSA-N 312.417 2.266 0 40 DEAB Cc1cccnc1CN1CCC2(CC(NC(=O)N(C)C)C2)C1 108529948 NISXABAQOIERCV-UHFFFAOYSA-N 302.422 2.016 0 40 DEAB COC(=O)c1ccccc1S(=O)(=O)[N][C@H](C)c1ccc(C)o1 100797323 KVAHGHDQKFANNN-LLVKDONJSA-N 322.362 2.429 0 40 DEAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(Cl)nc2)C1 3314720 BYRDDSKVJUXLNQ-QWRGUYRKSA-N 310.781 2.396 0 40 DEAB COc1cc(CNC(=O)c2ccc(Br)o2)ccn1 48301015 GSUZOUASLZCYFV-UHFFFAOYSA-N 311.135 2.376 0 40 DEAB Cc1cc(C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)[nH]1 22417167 VQTFSTIFYQLJEW-UHFFFAOYSA-N 315.304 2.470 0 40 DEAB COC(=O)c1sccc1NC(=O)CSC1=NCCS1 29268260 MJOGPAMYVUVALP-UHFFFAOYSA-N 316.429 2.309 0 40 DEAB S=C(NC[C@@H]1CCCO1)Nc1ccc(Br)cn1 13161636 IYYHBMPAMYUMBI-VIFPVBQESA-N 316.224 2.310 0 40 DEAB CC(C)(C)CCNC(=O)c1sccc1NS(C)(=O)=O 49216183 NJTKDEOKCUFNRK-UHFFFAOYSA-N 304.437 2.286 0 40 DEAB C[C@]1(C(=O)NCc2ccc(F)cc2)Oc2ccccc2NC1=O 4089670 ICSPWGFTMSOLNN-QGZVFWFLSA-N 314.316 2.232 0 40 DEAB CCN1CCC[C@@H]1CNC(=O)c1cc2cc(OC)ccc2n1C 96116453 FVUGDYVCMYSFBP-CQSZACIVSA-N 315.417 2.401 0 40 DEAB biogenic CCOCCO[C@H](C)C(=O)Nc1cccc(-c2ccn[nH]2)c1 49979046 MJNAEAGWMHRPFV-GFCCVEGCSA-N 303.362 2.457 0 40 DEAB Cc1cc(C(=O)CCC(=O)NCC(=O)NC(C)(C)C)c(C)s1 9314517 PGQDWVNMHDTYDR-UHFFFAOYSA-N 324.446 2.359 0 40 DEAB Cc1ccnc(NC[C@H]2CCN(Cc3cccc(C(N)=O)c3)C2)c1 65449113 BCYMJGFZXNAGIY-MRXNPFEDSA-N 324.428 2.423 0 40 DEAB O=C1[C@@H]2N=NN(Cc3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 4483600 HHHFRPXNRGDFQJ-HUUCEWRRSA-N 324.315 2.319 0 40 DEAB COC(=O)c1cccc(NC(=O)c2c(C)cc(=O)oc2C)c1 14077879 RLRCQBSWSUIQJC-UHFFFAOYSA-N 301.298 2.296 0 40 DEAB O=C(CSCc1nc2ccccc2[nH]1)N1CCSCC1 65613254 FIOQWSSCHNXPKI-UHFFFAOYSA-N 307.444 2.372 0 40 DEAB CC[C@@H](C)n1nccc1NC(=O)N[C@@H](C)C(=O)NC(C)(C)C 95446398 ROKPOGWPGQCFDU-MNOVXSKESA-N 309.414 2.279 0 40 DEAB COc1ccccc1NC(=O)c1cnc2sccn2c1=O 6453456 WQNVVDAWKNBODL-UHFFFAOYSA-N 301.327 2.017 0 40 DEAB CCC[C@H]1CN(C(=O)NCc2noc(C(C)(C)C)n2)CCO1 96485364 OCMSEQOSYUBEMQ-NSHDSACASA-N 310.398 2.078 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1CCCc2ccccc21 71830142 YQQJUBNLPAHYKI-IVMMDQJWSA-N 300.402 2.219 0 40 DEAB CCc1noc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)n1 71890256 HWHMEZWUZQZGIW-NSHDSACASA-N 310.398 2.073 0 40 DEAB CC(C)CCOc1cccc(NC(=O)[C@@H](C)S(C)(=O)=O)c1 68298109 IERQUXQHVYJDMU-GFCCVEGCSA-N 313.419 2.483 0 40 DEAB CC(C)C[C@H](C)OCCC(=O)N[C@@H](C)c1nnc2n1CCC2 95410106 DSNVURBDYQHKTG-STQMWFEESA-N 308.426 2.243 0 40 DEAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)N1CCCC1 7848443 ZTPSBWBTUQOCNN-CYBMUJFWSA-N 301.390 2.236 0 40 DEAB CCc1nnc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1C 9699327 OMOACSBMUPTCHI-UHFFFAOYSA-N 318.402 2.311 0 40 DEAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1cn[nH]c1 95433050 ZIYNXYALHWYYOT-UHFFFAOYSA-N 305.281 2.370 0 40 DEAB CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)cc1 16725700 NZVVCDHWJRCQSK-LBPRGKRZSA-N 318.398 2.086 0 40 DEAB CN1C(=O)C[C@H](NC(=O)c2ccon2)[C@@H]1c1ccc(Cl)cc1 91771591 VCMHCFCUJATMAA-JSGCOSHPSA-N 319.748 2.030 0 40 DEAB Cc1cc([C@H]2CCCN(C(=O)Cc3c(C)nn(C)c3C)C2)n[nH]1 84110572 BYCAMTLECDCDMR-AWEZNQCLSA-N 315.421 2.017 0 40 DEAB Cc1cc(N[C@@H](C)CN2CCOCC2)ncc1Br 97022070 ULPCNJJLEOVWLT-NSHDSACASA-N 314.227 2.285 0 40 DEAB Cc1nc(C)n(C[C@@H](O)COc2ccccc2C(F)(F)F)n1 97085566 OCJMWOZWOZOXHU-LLVKDONJSA-N 315.295 2.354 0 40 DEAB Cc1noc(C(C)C)c1C(=O)N1CCn2c(nnc2C(C)C)C1 69742017 JECNZQBVTLNIBL-UHFFFAOYSA-N 317.393 2.477 0 40 DEAB NC(=O)[C@@H](NCCOc1ccc(F)cc1F)c1ccccc1 69844522 MTAFXVNCCCSCND-HNNXBMFYSA-N 306.312 2.160 0 40 DEAB O=C(CSCc1ncc[nH]1)Nc1ccc2c(c1)OCCO2 72275229 AFFGEIJQQLPLIQ-UHFFFAOYSA-N 305.359 2.053 0 40 DEAB Cc1cnc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)nc1 8861912 XWADEUXCBYWJRN-UHFFFAOYSA-N 315.352 2.278 0 40 DEAB O=C(C[C@H]1CCOc2ccccc21)N[C@H]1CCc2nccn2C1 72287272 WWVJWOWCSHRGRQ-KGLIPLIRSA-N 311.385 2.271 0 40 DEAB Cn1cnnc1Cn1ccc(-c2ccc(Br)cc2)n1 92913300 JQRGSEDIXIAJSG-UHFFFAOYSA-N 318.178 2.489 0 40 DEAB CCOC(=O)[C@H]1CS[C@@H](c2coc3ccccc3c2=O)N1 98072847 MSSKFTSCMJPUST-RISCZKNCSA-N 305.355 2.060 0 40 DEAB CC[C@H]1CN(C(=O)c2n[nH]c(O)n2)CC[C@H]1c1ccccc1 74828128 FCCWPBOUOBHFNP-WCQYABFASA-N 300.362 2.166 0 40 DEAB CCc1cnc(CNC(=O)N[C@H](CO)c2ccccc2)s1 74843047 HJSDQHPFQBJAEH-CYBMUJFWSA-N 305.403 2.238 0 40 DEAB NC(=O)C[C@H]1CCCCN1c1ncnc2cc(F)c(F)cc12 89764955 ZTDKJBXUGZNQAF-SECBINFHSA-N 306.316 2.142 0 40 DEAB Cn1nccc1[C@@H]1CCCN(Cc2nc(-c3ccccn3)no2)C1 89741117 LZHADVCFWKXTGE-CYBMUJFWSA-N 324.388 2.245 0 40 DEAB Cc1nccn1CCCCN1CCC[C@@H](CNC(=O)C(C)C)C1 89735580 SBIOIRWUXLAJIN-KRWDZBQOSA-N 320.481 2.456 0 40 DEAB Cc1cc(C)nc(-n2cc(C(=O)OCc3ccccn3)c(C)n2)n1 76849601 JIRNXCGLAMPDKN-UHFFFAOYSA-N 323.356 2.340 0 40 DEAB Cc1ccc(CN2CCN(c3nccn4ccnc34)CC2)s1 306140914 VGSBMJFGORRWSU-UHFFFAOYSA-N 313.430 2.421 0 40 DEAB CCc1nc(O)c2c(n1)CN(C(=O)c1cccc(C)c1)CCO2 306127679 GEOPWMXKFHOPEZ-UHFFFAOYSA-N 313.357 2.088 0 40 DEAB CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@@](O)(c2ccc(C)cc2)C1 408562813 DAIVQIFFQITYML-MJGOQNOKSA-N 324.380 2.482 0 40 DEAB Cn1[nH]c([C@H]2CCCN2c2ccnc(-c3ccccc3)n2)nc1=N 521395177 UKCXYAWMYJQIQG-CYBMUJFWSA-N 321.388 2.026 0 40 DEAB COc1ccc2c(c1)c(CN1CCC(C(=O)O)CC1)cn2C 32918938 SVQDFBYCTLYNFJ-UHFFFAOYSA-N 302.374 2.484 0 40 DEAB Cc1c(NC(=O)NCC2CCc3ccccc3CC2)nnn1C 529118233 HGBMKQSJRUJCHW-UHFFFAOYSA-N 313.405 2.440 0 40 DEAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)c1nncc2ccccc12 1545383045 INIQFORZAZHBFO-BXUZGUMPSA-N 311.341 2.465 0 40 DEAB CC[C@H](C)NS(=O)(=O)c1cc(C)c2c(c1)C(C)(C)C(=O)N2 71196021 OPXINUQLPPTTNZ-JTQLQIEISA-N 310.419 2.302 0 40 DEAB Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2NC[C@@H](C)O)cc1 184828701 WNOOPIIJSASNCD-BMFZPTHFSA-N 311.447 2.050 0 40 DEAB CCc1nn(CCN2CCCC2)c(=O)c2cc3sccc3n12 72334624 MKIQHIHIZWTOSJ-UHFFFAOYSA-N 316.430 2.369 0 40 DEAB CN(CC1(O)CCCCCC1)C(=O)NCCc1nccs1 186692958 VGFIWTPNUHKSKZ-UHFFFAOYSA-N 311.451 2.412 0 40 DEAB CN1C(=O)C[C@H](C(=O)NCC2CCC2)[C@H]1c1cccc(F)c1 72259869 ZDKLIAHNSOXJNM-GOEBONIOSA-N 304.365 2.261 0 40 DEAB Cc1nc(Nc2ccccn2)cc(C2CN(c3ncccn3)C2)n1 72382741 ZCPXNQRROUFUFZ-UHFFFAOYSA-N 319.372 2.317 0 40 DEAB CC(C)(C)[S@](=O)CCNC(=O)C1=NO[C@H](c2ccccc2)C1 79001912 XROQZPBOUAYDLM-FPTDNZKUSA-N 322.430 2.167 0 40 DEAB Cc1nccn1C[C@H]1CCCN1c1nc(N)c2ccccc2n1 225597949 FKOCOOYEVZVRLS-CYBMUJFWSA-N 308.389 2.386 0 40 DEAB C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCCOC2)CC1 195564937 BUPGEOSNFDFYBV-ZIAGYGMSSA-N 308.447 2.380 0 40 DEAB CN(C)C[C@@H]1CCN(C(=O)NC[C@H]2CCc3ccccc3C2)C1 195570434 UNQDWFNBKNETHY-HOTGVXAUSA-N 315.461 2.385 0 40 DEAB Cn1ccnc1[C@H]1CCN(C(=O)N[C@H](C2CC2)C(F)(F)F)C1 332827094 LBTWSEZMUDXPIM-WDEREUQCSA-N 316.327 2.260 0 40 DEAB Cc1ccc(-c2nn(CC(N)=O)cc2Br)cc1C 96472154 MEPHVXGWMJNIPO-UHFFFAOYSA-N 308.179 2.415 0 40 DEAB c1cncc(OC[C@]23COC[C@H]2CN(Cc2ccoc2)C3)c1 96208596 UUXPTHWENULSJV-WBVHZDCISA-N 300.358 2.202 0 40 DEAB CC[C@H]1CN(C(=O)Nc2cc3n(n2)CCCC3)C[C@@H](CC)O1 333847621 MSYVGVHYLCMHOZ-OKILXGFUSA-N 306.410 2.641 0 40 DEAB Cc1ccc(CN2CCO[C@@]3(CCCN(C(=O)C(C)C)C3)C2)o1 96049130 AAZRVBBONAIMEP-SFHVURJKSA-N 320.433 2.437 0 40 DEAB Cc1noc(-c2ccnc(N3CCC4(CC3)OC[C@@H](C)O4)c2)n1 96419436 GMXIYBRFMQQNGB-LLVKDONJSA-N 316.361 2.172 0 40 DEAB COc1cccc(N2CCC[C@@H](NC(=O)c3cnc(C)[nH]3)C2)c1 331610420 JXOKLPULEZYBEJ-CYBMUJFWSA-N 314.389 2.126 0 40 DEAB O=C1C[C@H](c2cccnc2)C2(CCN(Cc3ccccn3)CC2)N1 96061457 IGDNCPNQPSFHGB-QGZVFWFLSA-N 322.412 2.115 0 40 DEAB C[S@](=O)c1nncn1Cc1ccccc1OCC(F)(F)F 96430180 WIJSWVGXGVKPOG-OAQYLSRUSA-N 319.308 2.005 0 40 DEAB O=C(c1ccncc1F)N1CC[C@@]2(C[C@@H](OCC3CC3)CO2)C1 96218400 UIOMQHYTEDHIMR-CXAGYDPISA-N 320.364 2.021 0 40 DEAB C[C@H]1N(C)C(=O)COC12CCN(Cc1ccc(F)cc1)CC2 96201506 XYDRMGLHCOXCBH-CYBMUJFWSA-N 306.381 2.037 0 40 DEAB CC(C)CN1CCO[C@H](COC(=O)c2ncoc2C(C)C)C1 96411865 MYXPYCZNZKDNBJ-ZDUSSCGKSA-N 310.394 2.312 0 40 DEAB O=C(Nc1nncn1-c1ccccc1)c1cccc2cn[nH]c12 96490183 KOBDGJQRUJTNRJ-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)CCc1ccccc1C 96041405 FOSYHXWHPBMRBJ-LZLYRXPVSA-N 303.402 2.332 0 40 DEAB CN(C)CCOC[C@@H]1CC[C@@H]2[C@H]1OCCN2Cc1ccsc1 248024679 RZOATZVKNZAFGE-BBWFWOEESA-N 324.490 2.306 0 40 DEAB Cc1ncsc1CN1Cc2ccnn2C[C@@H](OCC2CC2)C1 248018954 IIINAEAVPIHPRI-HNNXBMFYSA-N 318.446 2.459 0 40 DEAB CCn1c(-c2ccncc2)nnc1S(=O)(=O)CC1CCCC1 285140245 PFGQSOMLVUWOIE-UHFFFAOYSA-N 320.418 2.324 0 40 DEAB Cc1ccc(F)cc1NC(=O)Cn1nc(C2CC2)ccc1=O 575618502 BUCDFRIZBVJIHJ-UHFFFAOYSA-N 301.321 2.207 0 40 DEAB CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3c(C)cccc32)N2CCC[C@H]12 55243659 DZKLHXXOODGCMW-WRSAYESZSA-N 314.385 2.190 0 40 DEAB Cc1ccc(F)c(S(=O)(=O)N(C)CC2(O)CCCC2)c1 95448573 UFRGWJALDWOQOH-UHFFFAOYSA-N 301.383 2.060 0 40 DEAB CC(C)(C)C(=O)NCCn1nc(-c2cccs2)ccc1=O 12158179 UVVHNTNCTDSJPV-UHFFFAOYSA-N 305.403 2.134 0 40 DEAB Cc1nc2ccc(C(=O)NC[C@H](C)n3cncn3)cc2s1 12201555 XYCULACDQNWVIV-VIFPVBQESA-N 301.375 2.187 0 40 DEAB COc1ccccc1/C=C/C(=O)Nc1cccc(-n2cnnn2)c1 14393032 QPHBFOYXJILULV-MDZDMXLPSA-N 321.340 2.323 0 40 DEAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc(O)cc(=O)[nH]1 16399368 FPZVLDNIQTVZBN-UHFFFAOYSA-N 314.223 2.138 0 40 DEAB C[C@H]1CN2C[C@H](O)C[C@@H]2CN1Cc1ccc(C(F)(F)F)cc1 19575900 MHFAOXYDHIKCLD-NILFDRSVSA-N 314.351 2.345 0 40 DEAB COc1ccc(Cl)cc1C(=O)N1CC[C@@H](n2ccnn2)C1 206926440 KOEHXJGUVFMLBN-LLVKDONJSA-N 306.753 2.027 0 40 DEAB O[C@@]1(COc2ccc(F)cc2)CCN(Cc2cscn2)C1 643913863 JSYUGUWZKRCSGP-HNNXBMFYSA-N 308.378 2.298 0 40 DEAB CC(C)C(=O)N1CCN(c2ncccc2C(F)(F)F)CC1 33376791 WQUFLQBLNLFUFM-UHFFFAOYSA-N 301.312 2.405 0 40 DEAB OCCSc1nc(-c2ccccc2Br)n[nH]1 7038074 NMIUGNSAKMGLJN-UHFFFAOYSA-N 300.181 2.319 0 40 DEAB Cc1cc(=O)n2nc(CN(C)Cc3ccsc3)sc2n1 21672161 RHUYDHLMCWCZSY-UHFFFAOYSA-N 306.416 2.153 0 40 DEAB O=C(c1ccno1)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238882484 PMSRPXMKDUBMAJ-VIFPVBQESA-N 316.342 2.416 0 40 DEAB O=C(c1ccns1)N1CC2(C[C@@H](N3CCCCC3)CS2)C1 2056223751 DHNFVJBAULVSLB-GFCCVEGCSA-N 323.487 2.329 0 40 DEAB CCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3ncnn32)cc1 4694680 GAIPMOXRVCMHCE-AWEZNQCLSA-N 314.345 2.139 0 40 DEAB Cn1cc(-c2ncccc2CNC(=O)OCc2ccccn2)cn1 575618397 MMNFZWGXSGWQLF-UHFFFAOYSA-N 323.356 2.304 0 40 DEAB NC(=O)c1ccccc1N1Cc2cc(Cl)ccc2OCC1=O 67323877 OQAIMAIMNKWNID-UHFFFAOYSA-N 316.744 2.365 0 40 DEAB CCCc1noc([C@@H](C)N2CCC(NC(=O)C3CC3)CC2)n1 30287318 HFPRJAUUSWSBIB-LLVKDONJSA-N 306.410 2.074 0 40 DEAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1OC 21732 OZLLCTRRCDHJDG-UHFFFAOYSA-N 319.382 2.455 0 40 DEAB O=C1[C@H]2CC(Cl)=CC[C@H]2C(=O)N1CCCN1CCCCC1 117646 MCJUKPTXPPKVLZ-KGLIPLIRSA-N 310.825 2.380 0 40 DEAB CCOC(=O)c1c(C)oc2nc(CN(C)CC3CC3)nc(O)c12 53184117 GLWQTPQUSCOETD-UHFFFAOYSA-N 319.361 2.255 0 40 DEAB C[C@@H]1Oc2ccccc2N(CC(=O)N(C)C2CCCC2)C1=O 54260301 OOKZIHMJYDCMHS-LBPRGKRZSA-N 302.374 2.202 0 40 DEAB COC[C@H]1CN(C(=O)Nc2cc(Cl)ccc2F)CCO1 78936396 RJOIMJCJEMFGCP-SNVBAGLBSA-N 302.733 2.358 0 40 DEAB COc1cn(C)c(C(=O)Nc2cccc3ncccc23)cc1=O 79191596 DLGPXGHXQVVNFL-UHFFFAOYSA-N 309.325 2.194 0 40 DEAB biogenic CCN1CCN(C(=O)Nc2c[nH]c3ccc(C)cc3c2=O)CC1 4907803 RVCPDFLSWUPAAC-UHFFFAOYSA-N 314.389 2.006 0 40 DEAB COc1ccc(CCC(=O)N(C)CC2(O)CCCC2)cc1OC 89340175 SGZJNENVXQQJLF-UHFFFAOYSA-N 321.417 2.400 0 40 DEAB CCOC(=O)c1sc(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)nc1C 102690298 DOSXHXIZDAQBAK-SRVKXCTJSA-N 320.414 2.457 0 40 DEAB CC(C)c1noc([C@H](C)N2CCN(CC(F)(F)F)CC2)n1 44586377 AYXVGZRGCWORSS-JTQLQIEISA-N 306.332 2.434 0 40 DEAB O=C(NN1CCOCC1)c1cc2c(s1)-c1ccccc1CC2 8327464 VZFPCIHPBVBNEF-UHFFFAOYSA-N 314.410 2.491 0 40 DEAB Cc1cc(C)c(CNC(=O)c2cc(Br)c[nH]2)c(=O)[nH]1 58119987 OEZZXOWQJKHQRG-UHFFFAOYSA-N 324.178 2.012 0 40 DEAB O=C(O)[C@H]1CC(=O)N(c2ccc3oc(-c4cccnc4)nc3c2)C1 57327019 SSYCLUVEOCHOFS-NSHDSACASA-N 323.308 2.327 0 40 DEAB Cn1ccnc1SCCC(=O)Nc1ccc2c(c1)OCO2 58341956 GOKFFOGWGJBHKC-UHFFFAOYSA-N 305.359 2.270 0 40 DEAB CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2nncn2C)cc1 58370397 NUAAJLTVKRKIMW-VXGBXAGGSA-N 322.434 2.368 0 40 DEAB COc1ccc(COC[C@H](O)CNC(=O)CC2CCCC2)cc1 58357946 PZEGIARVMLSMAM-MRXNPFEDSA-N 321.417 2.269 0 40 DEAB O=C(O)c1cccc(S(=O)(=O)N2CCc3ccc(F)cc32)c1 58496861 CKILKYGMSKMGLD-UHFFFAOYSA-N 321.329 2.275 0 40 DEAB COc1ccc(OC)c(NC(=S)NC[C@H]2CCCN(C)C2)c1 9876243 OUPGMVCBGXEDAT-GFCCVEGCSA-N 323.462 2.332 0 40 DEAB COCCNC(=O)CSc1cc(C)c2cccc(OC)c2n1 11907550 LWFYNDUUFJDVQE-UHFFFAOYSA-N 320.414 2.407 0 40 DEAB O=C1NCCN(C(=O)c2cccc3cc[nH]c23)[C@H]1c1ccccc1 89827818 RYCZRGBOKCKRKI-KRWDZBQOSA-N 319.364 2.481 0 40 DEAB Cc1cccc2c(=O)n(CCC(=O)NCc3ccccc3)cnc12 12458172 ANBYWDDKKOMYDU-UHFFFAOYSA-N 321.380 2.411 0 40 DEAB COc1ccc(C(N)=O)c(OCC(=O)c2ccc(F)c(F)c2)c1 48265211 VVPXSTMXKZSYOO-UHFFFAOYSA-N 321.279 2.334 0 40 DEAB CCc1nnc(NC(=O)C[C@@H](C)NC(=O)c2ccccc2)s1 12729310 SXUTWNZHZDPOAG-SNVBAGLBSA-N 318.402 2.248 0 40 DEAB COC(=O)C1=C(C(F)(F)Cl)NC(=O)N[C@@H]1c1ccccc1 3366307 IERLZXMAEHWZNP-SECBINFHSA-N 316.691 2.299 0 40 DEAB CCOCCCNC(=O)CCc1nc(-c2ccc(F)cc2)no1 61477256 SGPHJWNAJISQGQ-UHFFFAOYSA-N 321.352 2.351 0 40 DEAB O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 13655000 YTJGQKWPVZXGCK-CYBMUJFWSA-N 311.385 2.299 0 40 DEAB NC(=O)CCCNC(=O)[C@@H](Oc1ccccc1)c1ccccc1 49759215 JYIYFPKHSBRHTD-KRWDZBQOSA-N 312.369 2.188 0 40 DEAB Cc1nc[nH]c1C(=O)N1CCN([C@@H]2CCc3ccccc3C2)CC1 71589681 SUXLMWWTZYGZJN-QGZVFWFLSA-N 324.428 2.033 0 40 DEAB COc1ccc(CN(C)C(=O)Nc2ccc(=O)n(C)c2)cc1 65458985 FLGZYVJSOKABJW-UHFFFAOYSA-N 301.346 2.058 0 40 DEAB O=C1NCCCC[C@H]1Nc1nccc(Oc2ccc(F)cc2)n1 65512899 PCZDWMATTHVABW-CYBMUJFWSA-N 316.336 2.489 0 40 DEAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(C)o2)c1 5618454 OPTCGSVTDNXPMG-UHFFFAOYSA-N 317.297 2.414 0 40 DEAB Cc1cccc(C)c1NCC(=O)NCc1nc(C2CC2)no1 96424046 MRYZINGGVGOXBH-UHFFFAOYSA-N 300.362 2.292 0 40 DEAB C[C@@H]1C[C@@H](NC(=O)CCc2cccnc2)C(=O)N1c1ccccc1 96425992 PMTVCZKZWSEBPB-RHSMWYFYSA-N 323.396 2.324 0 40 DEAB Cc1cc(N)nc(S[C@@H](C)C(=O)N2CCc3ccccc32)n1 7048829 NBCIIJJJMIJBOE-NSHDSACASA-N 314.414 2.437 0 40 DEAB CCC(=O)c1ccc(OCn2nnc3ccccc3c2=O)cc1 7419936 WNQCLHWTYWWNRL-UHFFFAOYSA-N 309.325 2.421 0 40 DEAB CNC(=O)[C@H](CC(C)C)NC(=O)c1cccc(NC(C)C)c1 71893304 JFWOXCRJYMNWSH-HNNXBMFYSA-N 305.422 2.397 0 40 DEAB CNC(=O)[C@H]1CN(C(=O)CCc2ccccc2)c2ccccc2O1 7825748 FQPHBGFSXXDKIC-QGZVFWFLSA-N 324.380 2.159 0 40 DEAB O=C(Cc1n[nH]c(=O)c2ccccc12)OCc1ccc(F)cc1 7981728 ROPKKDGWLCLYIW-UHFFFAOYSA-N 312.300 2.348 0 40 DEAB Cc1nc(Cl)cc(N2CCC[C@H]2C(=O)NCC(F)(F)F)n1 71904102 KJWNWZPUIGKAGK-QMMMGPOBSA-N 322.718 2.086 0 40 DEAB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2n[nH]c(C)n2)n1 69493610 UXNQHEKAGLQMHC-OAHLLOKOSA-N 307.357 2.336 0 40 DEAB C[C@H]1Oc2ccccc2N(CCC(=O)NCc2ccco2)C1=O 17305072 DMJAXZPQXLXISH-GFCCVEGCSA-N 314.341 2.100 0 40 DEAB O=C(/C=C/c1ccncc1)N[C@@H](Cn1cncn1)c1ccccc1 69814293 GDJXZLCZGGOQHK-LXXRFIIISA-N 319.368 2.244 0 40 DEAB CO[C@@H](C(=O)N1CCn2c(nnc2C(C)C)C1)c1ccccc1 69841364 WKPXMSZBNFWCPG-OAHLLOKOSA-N 314.389 2.131 0 40 DEAB CN1C(=O)C[C@@H](NC(=O)c2ccc[nH]2)[C@H]1c1ccc(Cl)cc1 92503550 CBLNUXCMZWRYMT-UKRRQHHQSA-N 317.776 2.370 0 40 DEAB Cc1ccc(OCc2nc(CC(=O)NC[C@H](C)O)cs2)cc1 84157253 ATCYTTXRYWLKND-LBPRGKRZSA-N 320.414 2.070 0 40 DEAB COc1nc2ccccc2cc1CN[C@H]1CCN(C(C)C)C1=O 97034862 RVYAYFVFINXRIF-INIZCTEOSA-N 313.401 2.342 0 40 DEAB Cc1noc(C)c1S(=O)(=O)Nc1cc(C2CCCC2)[nH]n1 97015468 OJPWMUPGMQRGCF-UHFFFAOYSA-N 310.379 2.473 0 40 DEAB CCC(CC)(CNC(=O)c1ccn(-c2ccccc2)n1)C(=O)O 97020622 FMFDITYHNOTLRS-UHFFFAOYSA-N 315.373 2.493 0 40 DEAB O=C(Cc1ccc(F)c(F)c1)N1CCC(NCC2CC2)CC1 95971620 ZJMVTSSUOPKZET-UHFFFAOYSA-N 308.372 2.498 0 40 DEAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2C(F)(F)F 71283255 DAIIMTVSFSNYQA-ZETCQYMHSA-N 305.256 2.392 0 40 DEAB Cc1nc([C@@H]2CCCN2Cc2nc(O)c3sccc3n2)no1 84281015 ZEDRUMVRUUZXBP-JTQLQIEISA-N 317.374 2.425 0 40 DEAB Cc1ccc(-c2nc(C)sc2CC(=O)N[C@@H](C)CO)cc1 97204319 DIQZQOGBOYLDRJ-NSHDSACASA-N 304.415 2.466 0 40 DEAB Cc1cc(S(=O)(=O)N(C)C2CCOCC2)c(F)cc1F 84675175 FKNWGYKASUKXPP-UHFFFAOYSA-N 305.346 2.073 0 40 DEAB CC1CCC(=CC(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 84689062 MJGFKCXSCFYWNR-UHFFFAOYSA-N 322.430 2.087 0 40 DEAB CC[C@@H](CCO)NC(=O)Cc1ccc(Br)s1 84733353 XKFDHYZVGKQRIM-QMMMGPOBSA-N 306.225 2.330 0 40 DEAB CCOC(=O)C(C)(C)C(=O)N1CCC(N2CCC[C@@H]2C)CC1 95447536 UELXUGTUJKHCNU-ZDUSSCGKSA-N 310.438 2.051 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)s1 28226151 VVKWNOIWDADVNL-VHSXEESVSA-N 324.402 2.239 0 40 DEAB CC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc3cccnc3c1)C2 1006808519 MEOAKFWIAYIMGW-LPHOPBHVSA-N 323.396 2.366 0 40 DEAB CC(C)CCNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2 1321271 HURPYOMXIQVOBS-UHFFFAOYSA-N 314.385 2.429 0 40 DEAB biogenic Cc1cc(C)nc(N2CCC[C@H](c3n[nH]c4nccnc34)C2)n1 72369161 DVNQJMKLLVHIJP-LBPRGKRZSA-N 309.377 2.144 0 40 DEAB O=C(O)c1cc(C2CCN(C(=O)C3[C@@H]4CCC[C@@H]34)CC2)no1 1548597530 LKMGJYZFHNWEMV-GHMZBOCLSA-N 304.346 2.125 0 40 DEAB CC(=O)N1CCC[C@H](Cc2cncc(C(=O)N3CCCC3)c2)C1 72387137 PYNQYWDUVXHEIC-OAHLLOKOSA-N 315.417 2.119 0 40 DEAB C[C@H]1C[C@H](c2cccc(F)c2)N(C(=O)CCS(C)(=O)=O)C1 75134813 WDEGQWRDXBOEQK-SMDDNHRTSA-N 313.394 2.170 0 40 DEAB CCN1CCN(CCC(=O)N[C@H](C)c2ccc(F)cc2)CC1 78394312 RDZMJLBXGYGMOE-CQSZACIVSA-N 307.413 2.031 0 40 DEAB Cc1ncc2c(n1)CCN(C[C@H]1CN(c3ccccc3)CCO1)C2 565312059 NYHVZFGXWJNNJB-SFHVURJKSA-N 324.428 2.049 0 40 DEAB CC(C)(C(=O)O)c1ccc(S(=O)(=O)N[C@H]2CC=CCC2)cc1 565434091 WVKOGYJARIFMDS-ZDUSSCGKSA-N 323.414 2.436 0 40 DEAB CN1CCN(C[C@@H]2CCCN(c3ncccc3Cl)C2)CC1 88719153 PKDCQOGLPBNZGD-AWEZNQCLSA-N 308.857 2.199 0 40 DEAB Cc1nn(C)c2[nH]nc(NC(=O)CCSc3ccccn3)c12 87364084 HESYKIDIXKGZNG-UHFFFAOYSA-N 316.390 2.121 0 40 DEAB Cc1cc(S(=O)(=O)N[C@H](C)C(C)C)ccc1N1CCCC1=O 225213253 FSVLADYVTCXRKX-CYBMUJFWSA-N 324.446 2.445 0 40 DEAB O=C(/C=C/c1ccccc1)NCc1nccc(N2CCCC2)n1 224150916 PYYRLKSLCJVDJY-CMDGGOBGSA-N 308.385 2.406 0 40 DEAB Cc1ccc(C)c(C(=O)Nc2cnc(N(C)C)nc2N(C)C)c1 224349875 JQYNQGKODVTCKL-UHFFFAOYSA-N 313.405 2.478 0 40 DEAB CCO[C@H](CNC(=O)NCc1cnn(C)c1C)c1ccccc1 193646042 BRTDVZNZJIDOHE-MRXNPFEDSA-N 316.405 2.306 0 40 DEAB Cc1csc([C@H]2COCCN2C(=O)Nc2ccncc2)n1 97102787 TVXYWCZUETUYEK-GFCCVEGCSA-N 304.375 2.452 0 40 DEAB COCc1cc(=O)c(O)c([C@H](CC(=O)OC)c2ccsc2)o1 95473512 CWKVFHRHIQOPMT-LLVKDONJSA-N 324.354 2.248 0 40 DEAB Cc1ccc(N2CC[C@]3(CCCN(c4ncccn4)C3)C2)nn1 96158259 RPYBTVOWCWIVRK-QGZVFWFLSA-N 310.405 2.072 0 40 DEAB CS[C@H](CO)[C@@H](C)NC(=O)/C=C/c1ccc2ccccc2n1 95445689 YHVCGNYPDPHZHT-DEKRFLFVSA-N 316.426 2.477 0 40 DEAB OC[C@]12CO[C@@H]([C@@H]3CC=CCC3)N1[C@@H]([C@@H]1CC=CCC1)OC2 255189857 SPRUPSYFVXDQNB-DZVNLGKHSA-N 305.418 2.445 0 40 DEAB Cc1nccc([C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n1 257239261 HOPOXNYPKDBMSE-CQSZACIVSA-N 311.341 2.491 0 40 DEAB O=S(=O)(c1ccccc1)N1CCC[C@H](Cc2ccn[nH]2)C1 257332430 XXHKXTRKCPDJKY-CYBMUJFWSA-N 305.403 2.053 0 40 DEAB COC[C@@H](O)CCNC(=O)Nc1cc(C)c(Cl)c(C)c1 282974594 JRHQIIADGGECBU-LBPRGKRZSA-N 300.786 2.476 0 40 DEAB C[C@@H](C[S@](C)=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 585140643 HWGHVVYALYOVJW-STRWUCSFSA-N 317.813 2.466 0 40 DEAB Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H](C)Cc2ccccc21 69387746 ZLXKGSIUSIWTIK-NSHDSACASA-N 319.430 2.424 0 40 DEAB COc1ccc(C(N)=O)cc1NC(=O)[C@@]1(C)CC1(Cl)Cl 44700995 MURJUVPFQNDSQM-GFCCVEGCSA-N 317.172 2.317 0 40 DEAB Cc1nc(C(C)C)sc1C(=O)N[C@H](C)CN1CCOCC1 44943497 QJTUFUODCUYECO-LLVKDONJSA-N 311.451 2.025 0 40 DEAB C[C@@H](CNC(=O)NCC(C)(C)O)Oc1cccc(Cl)c1 74781193 LWPWWYBXBKULBT-JTQLQIEISA-N 300.786 2.177 0 40 DEAB CC(C)n1ccc(C(=O)N[C@@H](CC(N)=O)C2CCCCC2)n1 82982287 ZBFWGOXURJAJMH-AWEZNQCLSA-N 306.410 2.018 0 40 DEAB C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccs1 78025228 ZBNNVILEQBGQPW-LBPRGKRZSA-N 318.398 2.429 0 40 DEAB Cc1nc(CNC(=O)/C=C/c2ccc(C(=O)O)cc2)oc1C 97017681 HTPIJWZVCRWEHR-VMPITWQZSA-N 300.314 2.319 0 40 DEAB c1cnc(N2CCC(COc3ccc(C4CC4)nn3)CC2)nc1 1775965578 DRVAGAXOERQPKE-UHFFFAOYSA-N 311.389 2.439 0 40 DEAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NCc1ccc(Cl)cc1 5673814 ZBOPIVKFAMBBNH-WVWOOGAGSA-N 305.761 2.479 0 40 DEAB COC(=O)CCCNC(=O)N1CCc2c([nH]c3ccccc23)C1 12901450 STJNZCSPADMPNN-UHFFFAOYSA-N 315.373 2.189 0 40 DEAB biogenic Cc1cc(C)c(N2C(=O)C[C@@H](SCC(=O)O)C2=O)c(C)c1 16899713 DCPRKYDLDPPZKO-LLVKDONJSA-N 307.371 2.062 0 40 DEAB COc1ccc(F)c(CN2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 19285206 PLESPRQIFGMIIP-GFCCVEGCSA-N 317.364 2.216 0 40 DEAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2cc3ncccc3c(=O)[nH]2)CC1 19462843 XFQQQQYTIVZRAC-BXUZGUMPSA-N 311.385 2.285 0 40 DEAB Cc1nc(C)c(C(=O)N2CC[C@@H](C(=O)N3CCCCCC3)C2)o1 19748097 YISGLDUNHKNCLS-CQSZACIVSA-N 319.405 2.156 0 40 DEAB Cc1nc(CC(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)cs1 22841747 XPKWMPJHSMOPOH-MFKMUULPSA-N 310.419 2.232 0 40 DEAB COc1ccc2sc(=NCCCN3CCCC3=O)[nH]c2c1 1849681994 BPBCHSOBQVPDKG-UHFFFAOYSA-N 305.403 2.151 0 40 DEAB C[C@H](NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)c1ccco1 25258224 CHNKKVXANQTSEX-ZDUSSCGKSA-N 323.352 2.376 0 40 DEAB Cc1cc(C)cc(-n2c(CN3CCNCC3)nc3cccnc32)c1 21925741 ANMODMNPCCOBIY-UHFFFAOYSA-N 321.428 2.443 0 40 DEAB COc1cccc(NC(=O)C(=O)NCc2ccccc2F)c1 5184162 KTMNCRPSQZRIQO-UHFFFAOYSA-N 302.305 2.089 0 40 DEAB CC(C)(C)c1cc(NC(=O)Cn2nc(C3CC3)ccc2=O)on1 575620692 SGQYYJDUVJJLKO-UHFFFAOYSA-N 316.361 2.045 0 40 DEAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 13544843 YPPCUQFIQKVXFB-UHFFFAOYSA-N 317.370 2.274 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)Nc1cc(Cl)ccc1OC 40023959 LMOAMYABZRGHGE-SECBINFHSA-N 313.785 2.385 0 40 DEAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(N)cc(N)n2)c(C)c1 420958 BTBQTEMYWXWVEU-JTQLQIEISA-N 317.418 2.377 0 40 DEAB COc1ccsc1C(=O)N1CCC[C@H](c2n[nH]c(C)n2)C1 79109425 DOHKCCICTRSBOT-JTQLQIEISA-N 306.391 2.203 0 40 DEAB O=C(CN1CCO[C@@H]2CCC[C@H]21)N1CCC[C@H](C(F)(F)F)C1 79354281 ZJIAWNKMLJHXNV-YNEHKIRRSA-N 320.355 2.041 0 40 DEAB CC(C)(C)OC(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccco2)C1 2527365 VONCPENVVZDUOZ-PWSUYJOCSA-N 310.350 2.004 0 40 DEAB Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)n1 2776717 MPZOUPBCLANDEU-ZIAGYGMSSA-N 317.389 2.391 0 40 DEAB Cc1ccc(N2CCC[C@@H]2COC(=O)c2csc(C)n2)nn1 89652331 XBCZTRNXHIBDJI-GFCCVEGCSA-N 318.402 2.376 0 40 DEAB CN1CC[C@@H](C(=O)N2CCC[C@H]2c2cccc(F)c2)CC1=O 55864292 YFUZEHJMCYYXES-HIFRSBDPSA-N 304.365 2.358 0 40 DEAB O=C(NCc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)no1 4726713 HBLDHQZQHFDAJJ-UHFFFAOYSA-N 323.308 2.395 0 40 DEAB CN(C)C(=O)CCNC(=O)N1CCC[C@@H]1CCc1ccccc1 56879426 QIMQNDXRWMZKSM-MRXNPFEDSA-N 317.433 2.272 0 40 DEAB COc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)c(C)c1 6731665 FVHAIUSNNBRTSN-BVIHXZOGSA-N 301.342 2.465 0 40 DEAB CCOc1ccccc1NC(=O)COC(=O)c1cccnc1 6933728 BNSBWBVNTZPLMM-UHFFFAOYSA-N 300.314 2.276 0 40 DEAB CS[C@@H]1CCCC[C@H]1NC(=O)NC[C@](C)(O)c1ccco1 108090312 RWWDNYHOPWJHCQ-JMSVASOKSA-N 312.435 2.461 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCCC2)cc1 8081644 QQJZOTOTYUNZRD-GFCCVEGCSA-N 324.446 2.436 0 40 DEAB CNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(N)=O 3298454 IRWLEZBSXAPLIY-UHFFFAOYSA-N 309.778 2.355 0 40 DEAB O=C(NCc1ccnc(N2CCOCC2)c1)N1CCCCCC1 44968574 MNWFFNQUJHAFOS-UHFFFAOYSA-N 318.421 2.004 0 40 DEAB O=C1CCCc2[nH]c(=O)c(C(=O)Nc3cc(F)cc(F)c3)cc21 58382057 XPXZXZQFJQLCJQ-UHFFFAOYSA-N 318.279 2.424 0 40 DEAB O=C(COC1CCCCC1)NCCCNC(=O)c1cccs1 58391416 SQYDEOJOYNASME-UHFFFAOYSA-N 324.446 2.334 0 40 DEAB O=C(NCCc1ccccc1)Nc1cccnc1-n1cncn1 58325483 CGHQGBYKGHRHGS-UHFFFAOYSA-N 308.345 2.027 0 40 DEAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NC[C@@H]2CCCO2)cc1C 22540595 ZJBJRFPHLMXNCI-CABCVRRESA-N 318.417 2.084 0 40 DEAB CC(C)CN1C[C@@H](C(=O)N[C@@H]2CCc3ccccc32)CC1=O 45889145 ZKDODEVVEWNLRC-GOEBONIOSA-N 300.402 2.295 0 40 DEAB C[C@@H](NC(=O)CN1CCC[C@@H](O)C1)c1cccc2ccccc12 29597192 FCBAHTIAGKLTMJ-GDBMZVCRSA-N 312.413 2.474 0 40 DEAB CCn1ccnc1SCC(=O)NC(=O)N[C@H]1CCCC[C@H]1C 11890446 UUWVHMXCRSBPSQ-NEPJUHHUSA-N 324.450 2.400 0 40 DEAB O=C(NCCn1ccnc1)c1cc(F)cc(Br)c1 46784148 OFTXCUFUBXZKKX-UHFFFAOYSA-N 312.142 2.215 0 40 DEAB Cc1cc(CNC(=O)C2CCN(C(=O)N(C)C)CC2)ccc1F 46910841 IUVQPBPJUMFWMD-UHFFFAOYSA-N 321.396 2.144 0 40 DEAB CCCOc1cccc(CNC(=O)N[C@@H](C)c2nncn2C)c1 46962143 LDGCILXZLQTKMN-LBPRGKRZSA-N 317.393 2.164 0 40 DEAB COc1c[nH]c(C(=O)Nc2nc(C(C)(C)C)cs2)cc1=O 61721353 BEGUHNJTLKOXAX-UHFFFAOYSA-N 307.375 2.390 0 40 DEAB Cc1ccc(CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2)o1 3344730 IMHRRRSTKDBUFI-UHFFFAOYSA-N 307.371 2.264 0 40 DEAB CCn1cc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)cn1 102697571 PLOSEVYCRKCIOL-UHFFFAOYSA-N 317.374 2.094 0 40 DEAB Cn1nnnc1SCC(=O)c1ccc(Br)s1 3325925 PLANROOUDKIAAH-UHFFFAOYSA-N 319.209 2.009 0 40 DEAB CC1CCN(S(=O)(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 102818317 XKAUGPYAVXYYIB-KBUPBQIOSA-N 300.468 2.377 0 40 DEAB O=S(=O)(NCCSc1ccc(O)cc1)c1ccccc1 48873187 LRRSHOOEYGNADQ-UHFFFAOYSA-N 309.412 2.463 0 40 DEAB CCOC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C(=O)O)C2)cc1 71405190 XAZIOURHZYSVNS-RYUDHWBXSA-N 305.330 2.303 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(Cc1ccc(COC)o1)CC2 93613197 NZDRUGZOQOFABD-JKSUJKDBSA-N 309.406 2.178 0 40 DEAB COCC(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 65588619 XLQWJHNMYJQBKM-UHFFFAOYSA-N 312.782 2.205 0 40 DEAB COc1c(Cl)cc(C(=O)NCc2n[nH]c(C)n2)cc1Cl 65623503 YIURDJFRIDKCEN-UHFFFAOYSA-N 315.160 2.359 0 40 DEAB C[C@H](CCNC(=O)NC[C@@]1(O)CCSC1)c1ccccc1 96447333 YUAZOHACNLNSHS-CJNGLKHVSA-N 308.447 2.347 0 40 DEAB CCCNC(=O)NC(=O)CSc1nc2ccccc2n1CC 6609688 ZEAKZWSZOCNTER-UHFFFAOYSA-N 320.418 2.384 0 40 DEAB CCC[C@H](C)NC(=O)Cn1nnc(-c2ccccc2Cl)n1 4763470 BRMDRPWZGZCLQF-JTQLQIEISA-N 307.785 2.298 0 40 DEAB COc1cccc(SCC(=O)N[C@H]2CCN(CC3CC3)C2)c1 71888544 RJSOTIRQVPYXNK-AWEZNQCLSA-N 320.458 2.388 0 40 DEAB Cc1nnc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)n1C 71859425 JGDRPTUADJMLSB-UHFFFAOYSA-N 313.188 2.289 0 40 DEAB CC[C@H](C)NC(=O)CCNC(=O)c1ccc(N(C)CC)cc1 66920626 WAOWFWXRJGPGAP-ZDUSSCGKSA-N 305.422 2.177 0 40 DEAB O=c1cc(CSC2=N[C@@H]3CCCC[C@H]3N2)nc2sccn12 15456774 LGEQWOAUPKEQHP-GHMZBOCLSA-N 320.443 2.260 0 40 DEAB CC(C)[C@@H](C)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 7358965 WPWKKILPRQIGHS-CQSZACIVSA-N 307.413 2.108 0 40 DEAB Cc1cc([C@@H](C)NC(=O)NCC(=O)NCC2CC2)cc(C)c1F 95995064 WYJYCEVXDLJDLZ-GFCCVEGCSA-N 321.396 2.329 0 40 DEAB O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCc2ccccc21 7920618 GFWKHQCKWFCIKZ-SWLSCSKDSA-N 307.415 2.005 0 40 DEAB CN(CC(=O)NCc1ccco1)C(=O)/C=C/c1ccsc1 7988028 LJYOWFXHKRZNGK-SNAWJCMRSA-N 304.371 2.129 0 40 DEAB COC(C)(C)CNC(=O)NC[C@@](C)(O)c1ccccc1Cl 95943296 GJNZBRPAPIZWIX-OAHLLOKOSA-N 314.813 2.272 0 40 DEAB CCS(=O)(=O)Nc1ccc(CCN2CCSCC2)cc1 97098433 XKZJZZQTAQNYFT-UHFFFAOYSA-N 314.476 2.040 0 40 DEAB C[C@H]1CN(c2cc(N3CCS[C@H](C)C3)ncn2)CCS1 95946007 HFFMJTKHIXLKML-TXEJJXNPSA-N 310.492 2.360 0 40 DEAB Cc1c2c(nc3cc4c(cc13)OCO4)CCN(C(=O)N(C)C)C2 91515977 OQVXZVYNNSACIW-UHFFFAOYSA-N 313.357 2.312 0 40 DEAB O=C(C[C@H]1OCCc2sccc21)N[C@@H]1CCc2nccn2C1 72242388 YGQXZIGWZNDQCF-DGCLKSJQSA-N 317.414 2.080 0 40 DEAB O=c1[nH]nc(CN(CCc2ccccc2)c2ccc(O)cc2)[nH]1 91622233 NDUDTMGSNRBSFD-UHFFFAOYSA-N 310.357 2.053 0 40 DEAB Cc1c(NC(=O)C(=O)Nc2cccnc2)cnn1CCC(C)C 95976111 MDFYWJTUPJKEMQ-UHFFFAOYSA-N 315.377 2.210 0 40 DEAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CCC[C@@H](O)C1 97162047 IUQGYAKGERPISS-HUUCEWRRSA-N 318.417 2.281 0 40 DEAB O=C(NC1(CCO)CCOCC1)c1cc(F)cc2cccnc12 97143318 OBDZSTWGRUYZCH-UHFFFAOYSA-N 318.348 2.035 0 40 DEAB C[C@@H](NCC(=O)NCc1cc(F)cc(F)c1)c1ccncc1 97370716 LYDJBNOSDBYJAY-LLVKDONJSA-N 305.328 2.327 0 40 DEAB CCC[C@@H](C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)O 95989876 GWOIQKWVDRODJS-TZMCWYRMSA-N 307.390 2.491 0 40 DEAB Cc1nc(CNC(=O)NCCCN2CCCCC2)c(C)s1 95443146 NCNIGUAYBBELCD-UHFFFAOYSA-N 310.467 2.435 0 40 DEAB Cc1ccc(CN(C)C(=O)COc2nnc3ccccn23)c(C)c1 95406508 UXZCWHYAXYVWHK-UHFFFAOYSA-N 324.384 2.384 0 40 DEAB O=C(Cc1noc2ccccc12)N1CCS[C@H]2COCC[C@H]21 95426779 AQFXYVNXARTQGP-HIFRSBDPSA-N 318.398 2.103 0 40 DEAB Cc1ccc(C(=O)N(C)Cc2ccn(-c3ccccc3)n2)c(=O)[nH]1 75120625 QPCCLEJTRWSVJJ-UHFFFAOYSA-N 322.368 2.141 0 40 DEAB O=C(NCCC1=CCCCC1)C(=O)NC[C@H](O)C1CCCCC1 70636797 KFIHCMGILJODIP-INIZCTEOSA-N 322.449 2.051 0 40 DEAB COc1cccc(NC(=O)NCCNc2ccc(C)nn2)c1 35597983 XDXQGVOQGVVERW-UHFFFAOYSA-N 301.350 2.027 0 40 DEAB CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1cccc(Cl)c1 77844985 DCXMBAXXDKJWOA-ZUZCIYMTSA-N 312.797 2.192 0 40 DEAB CCOC(=O)N[C@H]1CCCN(C(=O)COc2cccc(C)c2)C1 40541243 LPABBTHHBZTBAR-AWEZNQCLSA-N 320.389 2.111 0 40 DEAB CCCOc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1 192679864 ZDAYRDSJGPADQA-UHFFFAOYSA-N 313.357 2.125 0 40 DEAB CSc1cncc(N2CC[C@@H](OCc3ccncc3)C2)n1 192903489 GCMOCQYJQAKURU-CYBMUJFWSA-N 302.403 2.389 0 40 DEAB Cc1ccc2nc(C[C@H]3CN(C)CC[C@H]3CC(=O)O)[nH]c2c1 514289666 YAQUJFLFHWOUCJ-STQMWFEESA-N 301.390 2.456 0 40 DEAB biogenic,in-vitro CCS(=O)(=O)[C@H](C)[C@H](O)c1ccc(Br)cc1 96519377 FJHHKLNCCAICEY-KCJUWKMLSA-N 307.209 2.306 0 40 DEAB Cc1cccnc1[C@H](NCC(=O)N1C[C@@H](C)O[C@H](C)C1)C(C)C 96424391 APALGGGJXPQKDZ-BFYDXBDKSA-N 319.449 2.313 0 40 DEAB COc1ccc(S(=O)(=O)Nc2cccc3nc[nH]c23)cc1 96452980 YIXGTNBOFKZSEJ-UHFFFAOYSA-N 303.343 2.372 0 40 DEAB c1csc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)n1 96189095 ZMASHAWQPYUTIQ-CQSZACIVSA-N 318.446 2.398 0 40 DEAB O=C(c1cccs1)N1CCN2C[C@H](OCC3CC3)C[C@@H]2C1 96055000 XSFOGXJYXCNAIR-ZIAGYGMSSA-N 306.431 2.073 0 40 DEAB O=C1OCCN1CCN1CCC[C@H](COc2ccccc2)C1 96411346 TYZPVILQXNQZAK-HNNXBMFYSA-N 304.390 2.230 0 40 DEAB O=C(C[C@H]1OCCc2ccccc21)N[C@H]1c2ccccc2C[C@@H]1O 96449493 AYEIGOLBNLWEME-NSHGMRRFSA-N 323.392 2.465 0 40 DEAB Cc1noc(C)c1CN1CC[C@H](NC(=O)Cc2ccsc2)C1 98211960 BJIXLINGQMAUHW-AWEZNQCLSA-N 319.430 2.286 0 40 DEAB COC[C@H](O)CN(C)C(=O)C1(c2ccc(Cl)cc2)CCC1 96453158 ZJBRYBZKPBVGNP-CQSZACIVSA-N 311.809 2.227 0 40 DEAB CC(C)N1Cc2cccn2C[C@H](C(=O)NCc2cccnc2)C1 247963213 AKRUPZASCPEEJA-INIZCTEOSA-N 312.417 2.040 0 40 DEAB Cc1c[nH]c([C@H]2CN(C(=O)c3cn(C)c4ccccc34)CCO2)n1 257218495 DDIOJZKSNAPBEL-MRXNPFEDSA-N 324.384 2.424 0 40 DEAB CCc1nccn1CC(=O)N1CCCC[C@@H]1c1[nH]ncc1C 257343141 ZRQPKROIPLDVPC-CYBMUJFWSA-N 301.394 2.231 0 40 DEAB C[C@H](C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1)S(C)(=O)=O 252477708 UJXUGOZKPUXPST-VNQPRFMTSA-N 323.458 2.337 0 40 DEAB CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1cccc(C(C)=O)c1 26883769 VHHPGAXCDLGDPD-BXUZGUMPSA-N 311.403 2.077 0 40 DEAB O=C(C1CCOCC1)N1CCOC[C@H](Cc2ccccc2)C1 257306568 SUVNZNPVRJFUEQ-MRXNPFEDSA-N 303.402 2.131 0 40 DEAB O=C(c1ccc(-n2cccn2)nc1)N1CCCC[C@@H]1c1ccn[nH]1 257293671 QQQJBNXGWGTZOL-OAHLLOKOSA-N 322.372 2.358 0 40 DEAB CCC(=O)N1CCC(Cc2cncc(-c3cncn3C)n2)CC1 257202128 AKPQYKVAQZCVKS-UHFFFAOYSA-N 313.405 2.068 0 40 DEAB COC[C@H](NC(=O)NC[C@@H](O)c1cc(C)cc(C)c1)C1CC1 252489660 JVQFWJGRPYJBIY-JKSUJKDBSA-N 306.406 2.061 0 40 DEAB CC(C)C[C@H]1COCCN1C(=O)N[C@H](C)c1ccnc(O)c1 458862635 TWJIYWRGWJLPIK-OCCSQVGLSA-N 307.394 2.305 0 40 DEAB O=C(NCC[C@@H](O)c1ccoc1)Nc1ccc2c(c1)OCO2 90613343 KYMLHDHFTOCIFV-GFCCVEGCSA-N 304.302 2.254 0 40 DEAB O=C(NCCc1ccoc1)C(=O)Nc1ccc(F)c(Cl)c1 90607440 GOEYDVGYYQQLOQ-UHFFFAOYSA-N 310.712 2.370 0 40 DEAB CCOCCc1cnc2n1CCN(Cc1cc(C)nn1C)[C@@H]2C 585098473 TYLQPWMNCISVLO-CQSZACIVSA-N 317.437 2.081 0 40 DEAB NC(=O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 71894002 IELFYMYFRIXWEB-UHFFFAOYSA-N 301.293 2.469 0 40 DEAB CN1CCO[C@H](CNC(=O)c2ccc(Cl)cc2Cl)C1 74773387 HPWFTAQZMLSDFV-SNVBAGLBSA-N 303.189 2.054 0 40 DEAB Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[C@H]2O)cc1Cl 76020485 MAUZTNDDYNTKAJ-BXUZGUMPSA-N 324.808 2.254 0 40 DEAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)C(F)(F)C1(O)CCC1 95449147 BEKLYAUVRVABDS-UHFFFAOYSA-N 322.315 2.269 0 40 DEAB FC(F)(F)CN1CCN(c2ncnc3sccc23)CC1 281937643 DTFRKYCTBGGLKM-UHFFFAOYSA-N 302.325 2.376 0 40 DEAB Cc1cc(O)n2nc([C@H]3CCCN3C(=O)c3ccccn3)cc2n1 12337014 WBYWFEWCFQPODX-CQSZACIVSA-N 323.356 2.116 0 40 DEAB Cc1c(C(=O)OC(CN(C)C)CN(C)C)oc2ccccc12 12651049 QSGBSXMMWXICRD-UHFFFAOYSA-N 304.390 2.390 0 40 DEAB Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(O)cc3)C2)cc1 15014036 GFJWAZATPQIJIM-OAHLLOKOSA-N 324.380 2.370 0 40 DEAB CCC(=O)N1CCC[C@@H]1Cn1nc(-c2cccs2)ccc1=O 19498870 NMNANASVMQNNDH-GFCCVEGCSA-N 317.414 2.373 0 40 DEAB CN(C)C(=O)c1ccnc(NCc2c[nH]nc2-c2cccnc2)c1 158819099 SJPGOPMYAIMHMK-UHFFFAOYSA-N 322.372 2.181 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1 21821903 JFYPEQCJTDOXOV-FRRDWIJNSA-N 319.405 2.081 0 40 DEAB O=C(Nc1ccc(F)c(Br)c1)N1CC[C@H](O)C1 96435601 LBHFSKXEKPLBKU-QMMMGPOBSA-N 303.131 2.187 0 40 DEAB CC(=O)c1cccc(NC(=O)c2cnc3ccc(C)cn3c2=O)c1 9830070 DUHUPBNOFWFZEW-UHFFFAOYSA-N 321.336 2.458 0 40 DEAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nccs1 10218337 OSOMGJPMHNMFQK-UHFFFAOYSA-N 310.400 2.336 0 40 DEAB CN1Cc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O 20435989 NTKHMUAWZXZNBY-UHFFFAOYSA-N 323.396 2.417 0 40 DEAB CCc1nn2c(=O)cc(CN(C3CC3)[C@@H](C)C3CC3)nc2s1 40540541 YNFQVIZKXXOUIF-JTQLQIEISA-N 318.446 2.476 0 40 DEAB O=c1/c(=C/c2cccs2)sc2nnc(-c3ccccc3)n12 116670 OASQGVVKAKTRAR-XFXZXTDPSA-N 311.391 2.427 0 40 DEAB O=C1[C@@H]2[C@@H](N=NN2c2ccc(F)cc2)C(=O)N1c1ccccc1 101277656 AVMKASCZLYCTCM-KGLIPLIRSA-N 310.288 2.324 0 40 DEAB O=C(COc1ccccc1Cc1ccccc1)Nn1cnnc1 32721840 POBCAPDANXQCJO-UHFFFAOYSA-N 308.341 2.018 0 40 DEAB CC(C)c1cc(C(=O)NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cs1 102306879 YDOMIVDNRBAWCZ-VXGBXAGGSA-N 318.398 2.468 0 40 DEAB O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 52916947 RYZSAAMVKKESKI-HIFRSBDPSA-N 303.358 2.300 0 40 DEAB COCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 53253198 QPRATAGTFQYXGW-UHFFFAOYSA-N 305.374 2.032 0 40 DEAB CCCN1CC[C@@H](CNC(=O)c2cnn(C(C)(C)C)c2C)C1 53408787 XDHXNNLRLPEMSQ-AWEZNQCLSA-N 306.454 2.408 0 40 DEAB CCN(C[C@H]1CCCO1)C(=O)c1cc2ccccc2oc1=O 53431038 SBXBWIBAZOWWIA-CYBMUJFWSA-N 301.342 2.434 0 40 DEAB O=C(NCc1ncc(-c2ccccc2)o1)NC1CCC(O)CC1 47633855 NKWNVPGUEBJKFL-UHFFFAOYSA-N 315.373 2.444 0 40 DEAB Cc1ccc(CNC(=O)NC[C@@H](c2ccco2)N(C)C)cn1 43137352 JZIJRRFAOZYZIU-AWEZNQCLSA-N 302.378 2.085 0 40 DEAB O=C(N=c1[nH]c2ccccc2[nH]1)[C@H]1CCCN1c1nccs1 78760318 VVJPDBKJVJVGHV-GFCCVEGCSA-N 313.386 2.049 0 40 DEAB Cc1ccc(CNC(=O)[C@H]2CSC(=O)N2)c(OCC2CC2)c1 88201206 XXLXEDGQBGIVKM-CYBMUJFWSA-N 320.414 2.225 0 40 DEAB COc1cccc([C@H]2C[C@@H]2C(=O)N(C)C2CCS(=O)CC2)c1 78986785 GFLXZALLXPFVSB-SJOIGMDGSA-N 321.442 2.168 0 40 DEAB C[C@@H](Cn1cccn1)NC(=O)Nc1ccc(N2CCCC2)nc1 48084660 MVOYBYNTSATIBA-ZDUSSCGKSA-N 314.393 2.089 0 40 DEAB CC[C@@H](C)[C@@H](NC(=O)Nc1ccc(OC)cc1OC)C(=O)OC 6357819 HBJKCEKDOQAFMA-QMTHXVAHSA-N 324.377 2.413 0 40 DEAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC(C1CC1)C1CC1 89295872 JYNNFWJSLSPFJG-LBPRGKRZSA-N 303.410 2.163 0 40 DEAB COc1ccccc1CNc1nn2c(=O)cc(C)nc2s1 58010867 MELQQJOCCMRZIY-UHFFFAOYSA-N 302.359 2.080 0 40 DEAB Cc1cc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)on1 58003541 FPVIFENDNBACKJ-UHFFFAOYSA-N 323.393 2.246 0 40 DEAB O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(O)cc1 10017652 DIFJZWGWOOYDDS-UHFFFAOYSA-N 323.352 2.171 0 40 DEAB biogenic c1ccc2sc([C@H]3CCCN3c3ccc4nnnn4n3)nc2c1 8703888 HJQRIPZLCUSSII-LLVKDONJSA-N 323.385 2.471 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@H](NC(=O)C(C)C)C2)c(O)c1 58228913 VKHMAFRXCCTAAI-ZDUSSCGKSA-N 304.390 2.077 0 40 DEAB CC(C)(C)C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 58210402 JTLGIWPBXRSALA-HNNXBMFYSA-N 308.397 2.361 0 40 DEAB C[C@@H](NC(=O)NCCC1CCCC1)C(=O)NCc1ccco1 58208541 UWNDXGFRPZALRJ-GFCCVEGCSA-N 307.394 2.164 0 40 DEAB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 44911683 BHVKJMFWQSUMQZ-SECBINFHSA-N 316.279 2.045 0 40 DEAB C[C@@H](NC(=O)c1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCO1 27866230 BFXKEXQYBPEIKU-BXKDBHETSA-N 311.765 2.409 0 40 DEAB NC(=O)[C@@H](NCC1(c2ccc3c(c2)OCO3)CC1)c1ccccc1 58370676 ASVVDNBUZYRCPE-KRWDZBQOSA-N 324.380 2.263 0 40 DEAB Cc1cc(C)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(C)c1 102235168 DQZFMEXFYVAOGQ-FQUUOJAGSA-N 301.342 2.205 0 40 DEAB CCN1C[C@H](C(=O)N(C)Cc2nc3ccccc3s2)CC1=O 46319543 GTBSLDARUABSKS-LLVKDONJSA-N 317.414 2.123 0 40 DEAB COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCC2)C1=O 2629763 AXKCEADPIQNOQA-UHFFFAOYSA-N 316.357 2.262 0 40 DEAB OCc1cc(F)cc(CO)c1OCc1nc(-c2ccco2)no1 48303348 FZFYYNUNTCISCF-UHFFFAOYSA-N 320.276 2.032 0 40 DEAB Cc1cccc(-c2noc(CN3CC[C@@H](CN(C)C)C3)n2)c1 95959301 QOAJNYBALNVUNO-AWEZNQCLSA-N 300.406 2.429 0 40 DEAB O=C(Cn1nnc2ccccc21)NCCCOC1CCCCC1 12806263 ZPPBFFVXDZUISX-UHFFFAOYSA-N 316.405 2.287 0 40 DEAB CC(C)(C)Oc1ccccc1-c1n[nH]c(SCC(N)=O)n1 26505531 BIWYYEGDGIOHMB-UHFFFAOYSA-N 306.391 2.226 0 40 DEAB Cc1csc2ncc(C(=O)Nc3ccccc3O)c(=O)n12 49546195 UWFCNOKSLDYUKQ-UHFFFAOYSA-N 301.327 2.022 0 40 DEAB OC[C@]1(NC[C@H](O)c2ccccc2F)CCc2ccccc21 95980396 RJXKXSNGHTXWMQ-ZWKOTPCHSA-N 301.361 2.283 0 40 DEAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(N(C)C)cn1 65591878 DEYFUGDCNOVSCC-BZNIZROVSA-N 313.357 2.315 0 40 DEAB O=C(NCC1CC1)C(=O)Nc1cccc(C(=O)c2ccccc2)c1 65603955 BDACLQJTQAUSDV-UHFFFAOYSA-N 322.364 2.382 0 40 DEAB O=C(O)C1CCN([C@@H]2NC=Nc3c2sc2ncccc32)CC1 67321041 NWJQFEXZPUJPNX-ZDUSSCGKSA-N 316.386 2.355 0 40 DEAB C[C@H]1C[C@@H](OC(=O)c2ccc(N3CCCCCC3)nc2)C(=O)O1 84686116 XCSVXCQRJHVUBS-GXTWGEPZSA-N 318.373 2.323 0 40 DEAB CCO[C@@H]1C[C@@H](N(C)C(=O)CCN2CCCC2=O)C12CCCC2 96419221 VHLNCZMWWYWDJT-HUUCEWRRSA-N 322.449 2.195 0 40 DEAB Cc1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n1 96408028 MSRRHFSZXFYDOV-UHFFFAOYSA-N 314.370 2.377 0 40 DEAB C[C@H](COCC(F)(F)F)NC(=O)c1c[nH]c2ncccc12 67277478 SYGTUXQBCGFACH-MRVPVSSYSA-N 301.268 2.260 0 40 DEAB Cc1nc(S/C(=C\c2ccc3c(c2)OCCO3)C(=O)O)n[nH]1 5999694 UDZGPXPYZQRBDO-GHXNOFRVSA-N 319.342 2.102 0 40 DEAB CC(C)N(C)CC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 67595081 GXBXRAMLECLUJO-GOSISDBHSA-N 317.477 2.355 0 40 DEAB CN(C)C[C@@H]1CN(Cc2cc(-c3ccccc3)no2)CCO1 71878872 VCRJCJJWZOBYNG-MRXNPFEDSA-N 301.390 2.104 0 40 DEAB C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1cnc(C(C)(C)C)s1 71829441 AZVFYEKCJNGRKR-ZJUUUORDSA-N 309.435 2.167 0 40 DEAB Cc1ccn2cc(CNC(=O)NCc3c(C)noc3C)nc2c1 67762790 ARZKXOIANYIWKU-UHFFFAOYSA-N 313.361 2.247 0 40 DEAB NC(=O)CCN(Cc1ccccc1)C(=O)/C=C/c1nccs1 71820845 QMMQJVAWCWZEQT-VOTSOKGWSA-N 315.398 2.061 0 40 DEAB CC(C)[C@H](C)NC(=O)CN1CCN(c2ccc(F)cc2)CC1 7358968 WPWKKILPRQIGHS-AWEZNQCLSA-N 307.413 2.108 0 40 DEAB Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H](C)n2ccnc2)c1 71865964 VLNYIGLIRLRYNW-CABCVRRESA-N 301.394 2.030 0 40 DEAB CCCCN(C)CC1CCN(c2cncc3nncn23)CC1 84744344 GGAJPLNLTNQMGX-UHFFFAOYSA-N 302.426 2.073 0 40 DEAB CCCCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 7723439 JOLCBLHGAGNJEU-UHFFFAOYSA-N 314.407 2.074 0 40 DEAB Cc1cc(-c2nnn(Cc3nnc(C4CCC4)o3)n2)ccc1F 71907472 IOLGCXMBRPOEED-UHFFFAOYSA-N 314.324 2.486 0 40 DEAB COC(=O)[C@H]1CNc2ccccc2CN1C(=O)OC(C)(C)C 22013782 ORXJSLKGSYCCLD-CYBMUJFWSA-N 306.362 2.391 0 40 DEAB Cc1noc(-c2cccnc2N2CC[C@@H](Oc3ccncc3)C2)n1 95413051 MVYJYPVEYSMZAQ-CQSZACIVSA-N 323.356 2.493 0 40 DEAB Cc1cnn(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2)c1 69560395 ICUIAIXSNLACNA-CQSZACIVSA-N 300.406 2.005 0 40 DEAB COc1ccc(F)cc1C(=O)N[C@@H]1c2ccccc2C[C@@H]1O 95447880 CMYQROHABPNIIR-GOEBONIOSA-N 301.317 2.222 0 40 DEAB Fc1ccc(-c2nc(CN[C@H]3CCc4ncnn4C3)co2)cc1 69872223 FHIAVPLOGPJVAN-ZDUSSCGKSA-N 313.336 2.177 0 40 DEAB Cc1cccc(C2(CNC(=O)[C@H]3CCC(=O)N3)CCCC2)c1 69843873 QMAUYHBRNNSWOA-OAHLLOKOSA-N 300.402 2.202 0 40 DEAB O=C(N[C@H]1CCC[C@@H]1C(=O)O)c1ccc(C(F)(F)F)nc1 70522871 WGOLYBUDRFBARZ-IUCAKERBSA-N 302.252 2.084 0 40 DEAB CCCOc1cc(CNC(=O)c2ccn3cncc3c2)ccn1 95450645 CJECSUWXXBRHBN-UHFFFAOYSA-N 310.357 2.448 0 40 DEAB CCn1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)cn1 72299474 NXXPEATUEPVMHI-LBPRGKRZSA-N 301.350 2.141 0 40 DEAB Cc1ccnc2nc(C(=O)NCCCCc3ccccc3)nn12 8936649 FAYKVNPWCPUQGY-UHFFFAOYSA-N 309.373 2.185 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)COC3CCCC3)C2)n1 72235479 YINAJEVJFCOQRG-AWEZNQCLSA-N 306.410 2.018 0 40 DEAB C[C@H](NC(=O)NCCOc1ccc(F)cc1F)[C@H]1CCCO1 72270115 PMTSGBVJCMFSQZ-GXFFZTMASA-N 314.332 2.210 0 40 DEAB C[C@@H]1OCC[C@@H]1NC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97143162 BCGAOYTWVCFKGX-YDHLFZDLSA-N 323.462 2.314 0 40 DEAB CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1oc(C)cc1C)CC2 95408000 FEFHVTRHFXVNGY-ZIAGYGMSSA-N 307.390 2.289 0 40 DEAB CC[C@@H](Nc1ccc2nnc(CO)n2n1)c1ccc(OC)cc1 95460590 KDEXREFZDUSWRW-CYBMUJFWSA-N 313.361 2.188 0 40 DEAB CCc1nc(CNC[C@@H]2CCCN2c2cccnn2)cs1 75128880 QWHOQOTWRZXVCS-ZDUSSCGKSA-N 303.435 2.254 0 40 DEAB CC(C)C[C@H](CCO)CNC(=O)N1CCOC2(CCCC2)C1 89802470 RXXZLPCCFCHPLH-HNNXBMFYSA-N 312.454 2.386 0 40 DEAB c1cncc([C@@H]2OCCN2C[C@@H]2COC3(CCCCC3)O2)c1 34132275 RLZZUTSVJPIJAV-CVEARBPZSA-N 304.390 2.488 0 40 DEAB Cc1nc(C(=O)NS(=O)(=O)CCC2CCCC2)c(C)s1 408492964 FOJUITLWBMRCRL-UHFFFAOYSA-N 316.448 2.400 0 40 DEAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(N(C)C)cc2)c1C 72239110 BBJFSUNXMWDBPO-UHFFFAOYSA-N 322.434 2.387 0 40 DEAB COc1ccc([C@@H]2[C@@H](C(=O)NC(C)C)CCC(=O)N2C)cc1 72242011 SIUBQTQRKWDDKW-GOEBONIOSA-N 304.390 2.129 0 40 DEAB COC(=O)c1cc(C2CC2)nc2c(Br)c(C)nn12 36615746 CCMSRULACFDRDV-UHFFFAOYSA-N 310.151 2.464 0 40 DEAB C[C@H](N)C(=O)N(C[C@@H]1CCCN(Cc2ccccc2)C1)C1CC1 79404585 YFZYTIWAWVVOQN-DOTOQJQBSA-N 315.461 2.237 0 40 DEAB Cc1cc(C(C)(C)C)ccc1OC[C@H](O)CNC(C)(C)CO 32682369 NTFAXZBUDBIZAF-OAHLLOKOSA-N 309.450 2.393 0 40 DEAB CCS[C@@H]1CCCCN(C(=O)[C@H](NC(C)=O)C(C)C)C1 78987376 AYHROQIXRAOVHD-ZIAGYGMSSA-N 300.468 2.281 0 40 DEAB Cc1ccc(C)c(N2CCN(Cc3nnnn3C(C)C)CC2)c1 35290531 LFAZMRXOYZXAMP-UHFFFAOYSA-N 314.437 2.193 0 40 DEAB COCc1ccccc1C(=O)NCC[S@](=O)c1ccccc1 78777206 PDUAAOKECREMSW-JOCHJYFZSA-N 317.410 2.371 0 40 DEAB CCCN(C(=O)c1ccc(Br)cn1)[C@H]1CCNC1 71315067 QIYUVAUPVPQIDW-NSHDSACASA-N 312.211 2.058 0 40 DEAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ncc(F)cn2)C1 72203031 FJEGSQGMWJBMMZ-NSHDSACASA-N 310.373 2.357 0 40 DEAB c1cncc(CN2CCN(Cc3cccc4cn[nH]c34)CC2)c1 195561846 QYKDPSLIWIBTKU-UHFFFAOYSA-N 307.401 2.276 0 40 DEAB O=C([C@H]1NCCOc2ccccc21)N1CC(Cc2ccccc2)C1 1580489217 NUWHKQVIZBZZDD-IBGZPJMESA-N 322.408 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CC(C)COc1ccccc1[C@H]1C=C(C(=O)O)Nc2ncnn21 101347903 ANAGDEJQOXCREQ-CYBMUJFWSA-N 314.345 2.296 0 40 DEAB Cc1ccc([C@@H](O)CNC(=O)NCc2nc(C)cs2)cc1 41445116 PMCOJAFQLXATBU-ZDUSSCGKSA-N 305.403 2.293 0 40 DEAB COc1ccc(NC(=O)CN2CCCCCC2=O)c(OC)c1 23711344 ZVRXDAUFCGHRBI-UHFFFAOYSA-N 306.362 2.045 0 40 DEAB CC(C)c1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)cc1 416096 QFFVPUMEHLKREQ-UHFFFAOYSA-N 313.405 2.476 0 40 DEAB CCOC(=O)CCCC(=O)c1ccccc1CN1CCOCC1 43211509 MXPQEMYXPYNTAE-UHFFFAOYSA-N 319.401 2.435 0 40 DEAB CC(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccn(CC(F)F)n1 78653330 FLELBERDVAMTNW-GWCFXTLKSA-N 316.352 2.331 0 40 DEAB NC(=O)C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 24957247 KXRUEQVQFHRFFG-UHFFFAOYSA-N 302.296 2.283 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)NCc2nccn2C)C12CCCCC2 78937002 WKTBHVOYWZAMKF-KBPBESRZSA-N 320.437 2.347 0 40 DEAB CCOC(=O)Cn1nc(C)cc1NC(=O)c1ccc(F)cc1 1429215 CWBVYRPDHARJFH-UHFFFAOYSA-N 305.309 2.146 0 40 DEAB Cc1ccc(NC(=O)CN2C(=O)CC3(CCCC3)C2=O)cc1 6082767 PLYNUKGVGAWETM-UHFFFAOYSA-N 300.358 2.253 0 40 DEAB 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311.385 2.428 0 40 DEAB CN(C)C(=O)CNC(=O)Nc1ccc(Cl)cc1-n1cccc1 69900412 UJGBCOKMNNVZRN-UHFFFAOYSA-N 320.780 2.340 0 40 DEAB Cc1nc(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)oc1C 97080301 BUCJXWVTHMCBJN-GOSISDBHSA-N 310.353 2.435 0 40 DEAB O=C(Nc1ccccc1N1CCOCC1)[C@@H]1Cc2ccccc2O1 8780356 UMUOIGPVYKCOCB-SFHVURJKSA-N 324.380 2.465 0 40 DEAB O=C(c1cccc2cn[nH]c12)N1CCc2ccccc2[C@H]1CO 97097633 DWSKBOBUWGEBLX-MRXNPFEDSA-N 307.353 2.295 0 40 DEAB CCOc1cccc(CN2CC[C@H](C(N)=O)c3ccccc32)n1 97086148 XNJZKUQUJZLYGG-HNNXBMFYSA-N 311.385 2.460 0 40 DEAB O=C(Nc1nnc2n1CCCC2)c1ccc(Br)o1 97057790 FKCVAMIJQITWEC-UHFFFAOYSA-N 311.139 2.222 0 40 DEAB Cc1nc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)c[nH]1 72277930 NNPFMCCOLPILFN-LLVKDONJSA-N 303.366 2.244 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(C(=O)CCc1cccs1)CC2 72294797 WPOLSOPWUCFAGU-LSDHHAIUSA-N 323.458 2.459 0 40 DEAB Cc1nc([C@H]2CCCN2C(=O)CCCn2ccnc2C)no1 84290812 XAAIYRXYZPROGZ-CYBMUJFWSA-N 303.366 2.027 0 40 DEAB COc1ccc(Cl)cc1CNC(=O)N1CC[C@@H]([C@H](C)O)C1 97107850 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C[C@@H]1CN(C)CCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 89938803 XFSJCKWVQNLFMU-GFCCVEGCSA-N 318.808 2.302 0 40 DEAB C[C@@H]1CN(C(=O)NCCN2CCSCC2)c2ccccc2O1 89941234 NLEMGKGWBKSCHQ-CYBMUJFWSA-N 321.446 2.032 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)N[C@H]2CCC(=O)N(C)C2)c(C)c1 76018603 UWCKLNLAMPKURX-ZBFHGGJFSA-N 317.433 2.154 0 40 DEAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2 76956932 BCBXONYBYNOBEJ-GJZGRUSLSA-N 310.401 2.295 0 40 DEAB Cc1cc(N)n(-c2ncnc3c2cnn3-c2ccc(F)cc2)n1 62203309 SCTJOKJWGMQTHK-UHFFFAOYSA-N 309.308 2.031 0 40 DEAB C[C@H](Sc1ccc2ccccc2n1)C(=O)N1CCNC1=O 29995037 GZEXQYCWBDMMCT-JTQLQIEISA-N 301.371 2.267 0 40 DEAB COc1cccc(CCCNS(=O)(=O)c2c(C)noc2C)c1 66920726 IGLRXSCFPTWIKK-UHFFFAOYSA-N 324.402 2.211 0 40 DEAB O=C1c2cccn2[C@H]2CN(Cc3cccnc3)C[C@@H]2N1CC1CC1 306130519 JITNQOIOXMEXIP-ROUUACIJSA-N 322.412 2.174 0 40 DEAB Cc1cccc(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccco2)c1 72239579 RKQKHKDERBGTLK-INIZCTEOSA-N 312.369 2.395 0 40 DEAB CCn1ccc(-c2cc(C(=O)OC)n3ncc(Cl)c3n2)n1 36615683 YWSALFCOGHUPDH-UHFFFAOYSA-N 305.725 2.053 0 40 DEAB CN(C)C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 79361815 AAOFGOBNVCKFES-KRWDZBQOSA-N 302.418 2.243 0 40 DEAB COc1ccc(CCNC(=O)[C@H]2Cc3ccccc3CN2)cc1 35807094 ULEQQBDXLPQOJP-GOSISDBHSA-N 310.397 2.068 0 40 DEAB CCCCn1ncc(I)c1C(=O)OC 72339409 ZLEQHSREPLEKIC-UHFFFAOYSA-N 308.119 2.074 0 40 DEAB Cn1cc(S(=O)(=O)NC(=O)C2=CCCCC2)c2ccccc21 124873602 NFYFCTWKAFPGNY-UHFFFAOYSA-N 318.398 2.484 0 40 DEAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ncn[nH]1 218565743 ZBUSPEGTIFTHDS-UHFFFAOYSA-N 310.342 2.433 0 40 DEAB Cc1nc(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c(C)o1 563529715 QJHDMSZUPOIMOK-ZDUSSCGKSA-N 302.378 2.291 0 40 DEAB c1ccc(C[C@@H]2CC[C@@H](N[C@H]3CCc4nnnn4CC3)C2)cc1 564809799 VSIWETCMMYLZDW-YESZJQIVSA-N 311.433 2.379 0 40 DEAB COc1cc(CN[C@@H]2CCN(C(C)C)C2)cc2c1OCCO2 78553059 UTMJJDUJKAZIPH-CQSZACIVSA-N 306.406 2.039 0 40 DEAB O=C(NCCOc1ccccc1)N1CCC2(CC1)OCCCO2 75170483 FZRIMQIRUVBJOZ-UHFFFAOYSA-N 320.389 2.004 0 40 DEAB O=C(O)c1conc1[C@@H](O[C@H]1CCCCO1)c1cccnc1 504386212 KTJDIAGFQMFWLI-JSGCOSHPSA-N 304.302 2.400 0 40 DEAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 222250759 IZUPNTFSLGOKMC-SNPRPXQTSA-N 303.358 2.310 0 40 DEAB CC[C@](O)(CNC(=O)C(F)F)c1ccc(Br)cc1 194750456 CRCQOEIATPTUKQ-LBPRGKRZSA-N 322.149 2.428 0 40 DEAB CSc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(C)=O 223897875 WRDAMRJQFFAQSK-UHFFFAOYSA-N 316.448 2.444 0 40 DEAB CCc1ncsc1NC(=O)[C@@H]1CC(c2cccnc2)=NO1 195579875 MZGPYHQWPWMEHN-LBPRGKRZSA-N 302.359 2.232 0 40 DEAB COc1cncc(O[C@@H]2CCN(C(=O)Nc3cccs3)C2)n1 225395854 VFLJPTSDLUOXSJ-SNVBAGLBSA-N 320.374 2.232 0 40 DEAB Cc1ccc(O[C@H]2CCN(C(=O)Cc3ccsc3)C2)nn1 225428235 YVMBCDRCIYLHHL-ZDUSSCGKSA-N 303.387 2.069 0 40 DEAB O=C(O)[C@H]1CCCCN1C(=O)c1cnc(-c2ccoc2)s1 195555610 RLHKZQGYIISXIR-SNVBAGLBSA-N 306.343 2.482 0 40 DEAB COc1nccnc1O[C@H]1CCCN(C(=O)c2ccsc2)C1 225494065 UWEAPIFAEIGUIP-LBPRGKRZSA-N 319.386 2.230 0 40 DEAB O=C(O)CCN1CCCC[C@@H]1C(=O)Nc1cc(F)cc(F)c1 225492201 ATRBBLYSMNHYDB-CYBMUJFWSA-N 312.316 2.233 0 40 DEAB NC(=O)C1(CN[C@@H]2CCCc3cc(F)ccc32)CCOCC1 96491570 CUHFCIJDZHNDJK-OAHLLOKOSA-N 306.381 2.075 0 40 DEAB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1cnn(C)c1)C(F)(F)F 96474051 XJSHTNMQJKNCIQ-LLVKDONJSA-N 316.283 2.231 0 40 DEAB Cc1ccc(NC(=O)N(C)C[C@H]2CCC[C@H]2O)c(N(C)C)n1 96484543 LRFDOOBORWKLDZ-TZMCWYRMSA-N 306.410 2.081 0 40 DEAB COC[C@H]1CC2(CCN(C(=O)c3ccccc3F)CC2)CO1 96105779 MPZASHSNYZRMNI-CYBMUJFWSA-N 307.365 2.483 0 40 DEAB C[C@H](NCc1nnc(C2CC2)o1)c1ccc(-n2ccnn2)cc1 96492458 CSLFBRUSIUIXGO-NSHDSACASA-N 310.361 2.379 0 40 DEAB O=C1OCc2cc(NC(=O)c3cc(=O)[nH]c4ccccc34)ccc21 95472234 WZVXUJQGAWZIAQ-UHFFFAOYSA-N 320.304 2.451 0 40 DEAB O=C([C@@H]1CN(Cc2ccccc2)C[C@H]2OCC[C@H]21)N1CCCC1 96038866 ZBTWXTHTPWRENF-RCCFBDPRSA-N 314.429 2.146 0 40 DEAB O=S1(=O)N=C(O)N(c2ccc(Cl)cc2)c2ncccc21 96511562 BGLLJXNBPNZCAZ-UHFFFAOYSA-N 309.734 2.489 0 40 DEAB O[C@]12CCNC[C@H]1CN(c1ccc3cccc(Cl)c3n1)CC2 95367153 UDHYYZPWMRWRCX-GUYCJALGSA-N 317.820 2.439 0 40 DEAB COC(=O)[C@]1(C)CCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)C1 95414383 RWKAFDNPJCOJHG-RHSMWYFYSA-N 320.364 2.408 0 40 DEAB O=C(Nc1cc(F)ccc1-n1cccn1)N[C@H]1CCC[C@@H]1CO 96434706 RUMQNVMFIWRJEB-YPMHNXCESA-N 318.352 2.294 0 40 DEAB CCOC[C@H]1CN(C(=O)Cc2cccs2)Cc2ccnn2C1 96188944 BTSMKMNSCGLAIT-ZDUSSCGKSA-N 319.430 2.182 0 40 DEAB COC(=O)[C@H]1CN(Cc2csc(-c3ccoc3)n2)C[C@@H](C)O1 96470084 PHHPTFXBZBOGGJ-ZWNOBZJWSA-N 322.386 2.165 0 40 DEAB Cc1cncc(C(=O)N2CCOC[C@H]2c2csc(C)n2)c1 96220006 IBVYXDAARBGTNH-AWEZNQCLSA-N 303.387 2.369 0 40 DEAB COC[C@@H]1CN(C(=O)N[C@H](C)c2cc(C)cc(C)c2)CCO1 96440000 BUPAXIXNMNIXBF-ZBFHGGJFSA-N 306.406 2.421 0 40 DEAB COc1ccc(CN(C)[C@H](C)C(=O)NC[C@H]2CCCO2)cc1C 245339345 SDYKQWRVNVNWMH-GDBMZVCRSA-N 320.433 2.119 0 40 DEAB O=C(c1ccc(F)cc1F)N1CCC[C@@H](c2ccnc(O)n2)C1 257293080 QOAKYBDDEUDXEN-SNVBAGLBSA-N 319.311 2.480 0 40 DEAB Cc1nc([C@]2(C)CCCN(CC(C)C)C2)nc2c1CC(=O)N2C 257315661 VCIBJTFFCPVPAF-GOSISDBHSA-N 316.449 2.313 0 40 DEAB Oc1cc(C2CCN(Cc3nccs3)CC2)nc2ccnn12 257340151 ZETVHSGYLSALSQ-UHFFFAOYSA-N 315.402 2.271 0 40 DEAB CC(C)(C)c1n[nH]cc1CNCc1nnc2n1CCCCC2 65552533 MMTZFUOQNWGRON-UHFFFAOYSA-N 302.426 2.315 0 40 DEAB CC(C)(C)[C@H](NC(=O)c1cscc1C(F)(F)F)C(N)=O 622817777 PMHQUTHAESKECR-MRVPVSSYSA-N 308.325 2.397 0 40 DEAB Cn1ccnc1[C@H](NC(=O)Nc1cccnc1)C1CCOCC1 284668824 WJALHYXFUYYGCO-CQSZACIVSA-N 315.377 2.105 0 40 DEAB O=S(=O)(NCCCn1ccc2cccnc21)c1cccs1 96353548 SOGGACYGFWHTCH-UHFFFAOYSA-N 321.427 2.466 0 40 DEAB Cc1ccccc1C[C@H]1CCN(C(=O)c2cccn2C)C[C@@H]1O 585279440 MGUUZMYJFAIUEJ-AEFFLSMTSA-N 312.413 2.399 0 40 DEAB CO[C@]1(COc2ccccc2C)CCN(Cc2cncnc2)C1 585275034 UJVHHZVIQXUETR-GOSISDBHSA-N 313.401 2.455 0 40 DEAB Cc1ccc(C[C@]2(CO)CN(Cc3ccncc3)CCO2)cc1 585276955 SXAGRHYVFCBBEL-LJQANCHMSA-N 312.413 2.196 0 40 DEAB O=C(O)c1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 37462900 FYDCWZHJTTTWNP-UHFFFAOYSA-N 309.318 2.466 0 40 DEAB Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CCS(=O)(=O)C2)c1 56001248 DLVZVMSSRYZAOC-GJZGRUSLSA-N 307.415 2.093 0 40 DEAB C[C@@](O)(CNC(=O)NC1CCCCC1)c1ccc2c(c1)OCO2 75155478 XOUNDJHAEMQEJW-QGZVFWFLSA-N 320.389 2.255 0 40 DEAB Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1Cl 75606199 VWIBHNDSNJNHNS-CVEARBPZSA-N 322.836 2.320 0 40 DEAB O=C(OCc1ccccn1)c1ccc2c(c1)C(=O)N(C1CC1)C2=O 58197388 ISFGJEMLZTUDLN-UHFFFAOYSA-N 322.320 2.197 0 40 DEAB C[C@@H](NCC1(O)CCSCC1)c1ccc([S@](C)=O)cc1 95968218 TVUBTMHMJQSEDV-MPBGBICISA-N 313.488 2.333 0 40 DEAB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1C 29099 UKNMKHXDYVNXOI-OQLLNIDSSA-N 309.394 2.412 0 40 DEAB Cc1cccc(-n2nnc3c(=O)n(Cc4ccccc4)cnc32)c1 5056961 QVIUXPWFENHUDG-UHFFFAOYSA-N 317.352 2.334 0 40 DEAB O=C(NC1CCCC1)c1ccc(=O)n(Cc2cccc(F)c2)n1 11781322 LUGUMGLRZUPTIN-UHFFFAOYSA-N 315.348 2.103 0 40 DEAB CCN(CC)c1ccc(NC(=O)c2ccc(=O)n(C)n2)c(C)c1 11780816 ZFRPCRQVYUIZIJ-UHFFFAOYSA-N 314.389 2.187 0 40 DEAB COC(=O)C1(NC(=O)NCc2ccc(OC)cc2)CCCCC1 12323427 RDPKUGCHQYGHNB-UHFFFAOYSA-N 320.389 2.370 0 40 DEAB CC(C)(C)C(=O)Nc1ccc(N2CCOCC2)c2nonc12 13326676 BBDHFEWTNZRVSH-UHFFFAOYSA-N 304.350 2.044 0 40 DEAB Cc1cc(Br)cc(C(=O)OC[C@H]2CCC(=O)N2)c1 155355105 CYYVQBADPSGMAY-LLVKDONJSA-N 312.163 2.193 0 40 DEAB Cc1sc2ncnc(SCC(=O)N3CCOCC3)c2c1C 90186 VJCJBMMSTUZYRY-UHFFFAOYSA-N 323.443 2.259 0 40 DEAB O=C(O)[C@H]1CN(c2nccc(C(F)(F)F)n2)CC12CCC2 575609401 XBFILFYIGQILJE-MRVPVSSYSA-N 301.268 2.187 0 40 DEAB C[C@H]1CCCN(C(=O)CSc2nnnn2-c2ccccc2)C1 5042675 ZRHPJYKVQQWKHC-LBPRGKRZSA-N 317.418 2.013 0 40 DEAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)NC2CCOCC2)c1 1889114273 RFBWXPJLPVHGLQ-XYPWUTKMSA-N 318.421 2.248 0 40 DEAB Cn1ncc2c(NC[C@H](c3ccco3)N3CCCC3)ncnc21 14215730 SPFNMSYCBNDMES-CYBMUJFWSA-N 312.377 2.205 0 40 DEAB O=C(c1cnccn1)N1CC[C@@H](Oc2cccc3cccnc23)C1 245171748 XTFBTBBQQYSSLB-CQSZACIVSA-N 320.352 2.318 0 40 DEAB CO[C@@H](CNC(=O)C(=O)NCCC1=CCCCC1)c1ccco1 245170831 XIFZWONQCROPAS-HNNXBMFYSA-N 320.389 2.090 0 40 DEAB CC1CC(C(=O)N2CCC3(CC2)CC(=O)N(CC2CC2)C3)C1 1565545443 IPNGGPFNFMPTHV-UHFFFAOYSA-N 304.434 2.284 0 40 DEAB Cc1ccc(SCCCC(=O)N2CCNC(=O)[C@H]2C)cc1 12443702 ZHIRZWVEAFFYIM-CYBMUJFWSA-N 306.431 2.214 0 40 DEAB CCc1nccn1CC1CN(CC(=O)Nc2ccc(F)cc2)C1 1848724948 OOIGZWQCDGIHFR-UHFFFAOYSA-N 316.380 2.155 0 40 DEAB CC(C)(C)C(=O)N1CCO[C@H]2CC[C@H]1[C@@H]2Oc1ncccc1F 2055746162 SJYMZGDPXZNOCL-IHRRRGAJSA-N 322.380 2.404 0 40 DEAB COc1ccc2c(C)c(C(=O)NCc3nnc(C)o3)oc2c1 44225895 PNTUXUBLXUJAFK-UHFFFAOYSA-N 301.302 2.371 0 40 DEAB O=C(Nc1cccc(CNc2ncnc3[nH]ncc23)c1)C1CC1 12574168 YNIUHJAYSOIWFJ-UHFFFAOYSA-N 308.345 2.314 0 40 DEAB O=C([C@H]1CCOC1)N1CCN(CC(F)(F)F)c2ccccc21 96445100 XWGFYOLFDAHWDN-NSHDSACASA-N 314.307 2.438 0 40 DEAB O=C(NCCC1=CCCCC1)C1CCC(Cn2cnnn2)CC1 40288417 WMQBXOPJGZXDPD-UHFFFAOYSA-N 317.437 2.486 0 40 DEAB COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)Oc1cccc(C)c1 30846917 CYWAMFMAKQPFKY-ZFWWWQNUSA-N 307.390 2.466 0 40 DEAB Cc1nn(C)c2ncc(NC(=O)[C@H](C)OCC(F)(F)F)cc12 31717358 CNXOGDGNYMSQPW-QMMMGPOBSA-N 316.283 2.183 0 40 DEAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cc(C)on2)c1 40541788 WSKBQDLYJRVSDA-LLVKDONJSA-N 315.373 2.441 0 40 DEAB O=C1NCCN1C1CCN(c2ncccc2C(F)(F)F)CC1 52486951 JQCZLLKJYJCJSY-UHFFFAOYSA-N 314.311 2.094 0 40 DEAB Cc1nc(C)c(C(=O)N2CCN(Cc3ccccn3)CC2)s1 32823127 SZMKRYAKCNFVSI-UHFFFAOYSA-N 316.430 2.113 0 40 DEAB COc1ccc(OC)c(CNC(=O)[C@H](C)OCC(F)(F)F)c1 32924289 ZETWBOVKURGATJ-VIFPVBQESA-N 321.295 2.287 0 40 DEAB Cn1ncc2c(=O)[nH]c(CN3CCC[C@@H]3c3cccs3)nc21 52799147 QFCZXAGHDOUEHF-LLVKDONJSA-N 315.402 2.055 0 40 DEAB CCN(CC)CCNC(=O)c1ccn(-c2ccc(F)cc2)n1 41748435 NYHNRVRNTWEGLP-UHFFFAOYSA-N 304.369 2.083 0 40 DEAB Cc1cc(CNC(=O)CN(C)C(=O)c2ccco2)ccc1F 22529968 KZLCAKONDLJHIP-UHFFFAOYSA-N 304.321 2.116 0 40 DEAB Cc1nn(C)c(C)c1NC(=O)c1ccc2c(c1)OCCCO2 22838039 YIHWDVXFGOLBNE-UHFFFAOYSA-N 301.346 2.451 0 40 DEAB C[C@@H](Cn1ccnc1)NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 42513249 KIEOGQJFTQMSGO-IINYFYTJSA-N 305.765 2.045 0 40 DEAB Cc1cccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1 582736 LUNKAYMWHOZZGE-UHFFFAOYSA-N 304.371 2.203 0 40 DEAB Cc1cc(=O)[nH]c(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 12588742 ZYKCJZQRLJYTTN-MVWJERBFSA-N 309.435 2.111 0 40 DEAB CC(=O)N1CCC(NC(=O)CSCc2cccc(F)c2)CC1 78394037 LJHZBAANQZWAQR-UHFFFAOYSA-N 324.421 2.186 0 40 DEAB O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1ccc2nncn2c1 78948505 OMGZGJIVEDXPMS-CQSZACIVSA-N 322.368 2.413 0 40 DEAB CC[C@H](NC(=O)NCc1cccnc1N(C)C)c1ccncc1 78940127 ZFTYNPUXDXPRMX-HNNXBMFYSA-N 313.405 2.493 0 40 DEAB O=C(CCCC(=O)n1nnc2ccccc21)OCC(F)(F)F 2746512 IQDIGZWASNGVMY-UHFFFAOYSA-N 315.251 2.347 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)NCCCc1ccccc1 4785916 HAHFKGSWKCIFBX-UHFFFAOYSA-N 322.364 2.032 0 40 DEAB CC[C@H](C)[C@H](NC(N)=O)C(=O)N[C@H](C)c1cc(C)ccc1OC 108956442 IOSKNWPBCKNTHJ-ZOWXZIJZSA-N 321.421 2.264 0 40 DEAB O=C(O)C[C@@H]1Sc2nnc(C3CC3)n2N=C1c1ccccc1 8315733 FAMGBKOLEPEESD-NSHDSACASA-N 314.370 2.357 0 40 DEAB CCN(C)[C@H](C(=O)NCc1cccnc1OC)c1ccccc1 57829709 BSLIHPIXCBENEC-INIZCTEOSA-N 313.401 2.399 0 40 DEAB CCCCS(=O)(=O)N[C@H](C)C(=O)Nc1cc(C)ccc1C 44999925 JIINWQYGKNIUAO-CYBMUJFWSA-N 312.435 2.350 0 40 DEAB COc1cc(CNC(=O)c2ccc(O)nc2)ccc1OC(F)F 10441274 IYGCFWOEYQYGFW-UHFFFAOYSA-N 324.283 2.327 0 40 DEAB CCSc1ccc(NC(=O)N[C@H](C)CN2CCOCC2)cn1 58438025 NDOVLIRJHWNOCI-GFCCVEGCSA-N 324.450 2.036 0 40 DEAB Cc1nc(C)c2c(C)c(C(=O)N3CCN(C)C[C@@H]3C)sc2n1 89567508 DUYTTXWVQRKEFY-VIFPVBQESA-N 318.446 2.393 0 40 DEAB O=C(CCCc1nc2ccccc2c(=O)[nH]1)Nc1cccnc1 10742106 OCCIYBUHKCTRHT-UHFFFAOYSA-N 308.341 2.280 0 40 DEAB Cc1cccc(OCCNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 59520217 MPPZAGPFYILTEA-GJZGRUSLSA-N 305.374 2.381 0 40 DEAB Cc1ccc(-c2nc(C(=O)N3CCN(C)C[C@H]3C)cs2)o1 89656167 SGZICUBGHTXKGO-SNVBAGLBSA-N 305.403 2.488 0 40 DEAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)C1=COCCO1 11139852 ZQJDMXLDNBSYJJ-UHFFFAOYSA-N 322.748 2.294 0 40 DEAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(N)=O)nc1 89702017 SPFCYBYEKZRZPA-MNOVXSKESA-N 301.371 2.293 0 40 DEAB O=C(c1ccc[nH]1)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1 107195595 RPGFYKYXFOXRBB-OAHLLOKOSA-N 323.396 2.151 0 40 DEAB O=C(NCCCn1ccnc1)c1cc(Br)ccc1O 11639405 QHTYVSNUSILUDS-UHFFFAOYSA-N 324.178 2.171 0 40 DEAB O=C(c1ccncc1)N1N=CC[C@@]1(O)c1ccc(Cl)cc1 59381714 PGYUCYIARRGGPS-OAHLLOKOSA-N 301.733 2.412 0 40 DEAB C[C@H](Cn1cccn1)NC(=O)N(Cc1ccc(O)cc1)C1CC1 48262477 VIEQFJQDSGULTR-CYBMUJFWSA-N 314.389 2.351 0 40 DEAB COc1cc(NC(=O)c2ccoc2C)ccc1NS(C)(=O)=O 29968985 PAUUUASMWFKFDW-UHFFFAOYSA-N 324.358 2.220 0 40 DEAB Cc1cc(C(=O)NCCCC(N)=O)c(C)n1Cc1cccs1 46973254 CYEQKDPEUGBCBT-UHFFFAOYSA-N 319.430 2.210 0 40 DEAB c1cnc(N2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)nc1 107711959 RWYSRZDQWZHQTI-WBVHZDCISA-N 303.406 2.279 0 40 DEAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nccs1 3347039 HQXRMZMPDYYNMF-UHFFFAOYSA-N 306.343 2.372 0 40 DEAB CCCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 3318091 FITSTSRFRYNVER-UHFFFAOYSA-N 321.358 2.084 0 40 DEAB O=C(CN1C(=O)c2ccccc2C1=O)Nc1cc(F)ccc1F 3401710 VFUQHXQMAJYBDB-UHFFFAOYSA-N 316.263 2.200 0 40 DEAB COC(=O)c1cnc(NC(=O)Cc2noc3ccccc23)s1 12916626 XDFXADKDZHVNSW-UHFFFAOYSA-N 317.326 2.252 0 40 DEAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cnc[nH]3)n2)cc1 67898625 XJSMGDXWUMZZEE-INIZCTEOSA-N 309.373 2.373 0 40 DEAB biogenic,in-vitro CC(=O)Nc1nc(C(=O)OCCOCCC(C)C)cs1 48766403 UKNCBIHCABXLHN-UHFFFAOYSA-N 300.380 2.321 0 40 DEAB CCO[C@@H]1C[C@H](O)C12CCN(c1ncnc3sccc13)CC2 89986557 STRHEEQXERJQMR-QWHCGFSZSA-N 319.430 2.448 0 40 DEAB CC(=O)N1CCN([C@H]2CN(CC3CCCCC3)C[C@@H]2C)CC1 76055149 QTGBOJYAULTUPS-YJBOKZPZSA-N 307.482 2.051 0 40 DEAB C[C@]1(c2ccccc2)NC(=O)N(CC(=O)c2cccs2)C1=O 4476651 RHGRWJDDYDUJRH-MRXNPFEDSA-N 314.366 2.398 0 40 DEAB O=C1CCCN1CCCS(=O)(=O)C/C=C/c1ccccc1 65516829 GAMNVFXNJJKCHV-WEVVVXLNSA-N 307.415 2.127 0 40 DEAB NC(=O)N[C@H](CC(=O)N1CCc2ccccc21)c1ccccc1 14260018 FPLJUOHRCFHMJJ-OAHLLOKOSA-N 309.369 2.375 0 40 DEAB CCC(CC)NC(=O)CN1C(=O)[C@H](C)N(c2ccccc2)C1=O 14399236 UVYUKNWGOSMWIA-LBPRGKRZSA-N 317.389 2.149 0 40 DEAB O=C(C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1cccc(Cl)c1 4740142 NHLPBNKUCAMFFZ-IHRRRGAJSA-N 321.808 2.068 0 40 DEAB Cc1ccc(C[C@@H](C)NC(=O)CSc2ncn[nH]2)c(C)c1 66444532 RTTYBJAVNKQKTM-GFCCVEGCSA-N 304.419 2.261 0 40 DEAB NC1(C(=O)N2CCC[C@@H](c3n[nH]cc3Cc3ccccc3)C2)CC1 67643722 QQSGWHHXXMOPDA-OAHLLOKOSA-N 324.428 2.198 0 40 DEAB COc1cccc(SCC(=O)NC[C@@H]2CCCN(C)C2)c1 71888546 RQQSUVJYIHTIJF-ZDUSSCGKSA-N 308.447 2.245 0 40 DEAB O=C(NCC1(CN2CCOCC2)CCCCC1)c1ccco1 81667764 KRJASTAVPXCYHA-UHFFFAOYSA-N 306.406 2.292 0 40 DEAB CCc1nc(CNC(=O)NCCc2c(C)noc2C)cs1 71886663 GGOCWBBUBDAEEH-UHFFFAOYSA-N 308.407 2.352 0 40 DEAB Cc1nnc2ccc(NC[C@@H](c3cccs3)N(C)C)nn12 69153665 SXZFNLWKPUPAGV-NSHDSACASA-N 302.407 2.209 0 40 DEAB C[C@@H](NC(N)=O)C(=O)NC[C@H](C)c1c(Cl)cccc1Cl 71854187 OWIYMUQRXKIGBA-JGVFFNPUSA-N 318.204 2.270 0 40 DEAB O=C(COC[C@@H]1CCCO1)Nc1ccnn1Cc1ccsc1 71897967 GFCKAKUFEUVAQR-ZDUSSCGKSA-N 321.402 2.127 0 40 DEAB COc1ccnc(NNC(=O)CCc2cc(Cl)cs2)n1 71914854 DLIZUHPRLVUBCA-UHFFFAOYSA-N 312.782 2.276 0 40 DEAB C[C@H](NC(=O)COC[C@@H]1CCCO1)c1nc2c(s1)CCCC2 71904538 SMTRYHISJQEMML-RYUDHWBXSA-N 324.446 2.395 0 40 DEAB COc1cccc(CC(=O)NCCN(C)C(=O)OC(C)(C)C)c1 69517062 LUEIQRBRUXDHOK-UHFFFAOYSA-N 322.405 2.221 0 40 DEAB CC(C)NC(=O)N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 69699678 VMBSTZRNDRPRSG-ZDUSSCGKSA-N 308.357 2.140 0 40 DEAB Cc1cnn(C[C@@H](C)NCc2nc(-c3ccsc3)no2)c1 69707128 CHWCECVVXKEWJR-LLVKDONJSA-N 303.391 2.481 0 40 DEAB Cc1c(Br)cccc1C(=O)NC[C@@H](C)C(=O)O 88440307 DVNNSGPQTSBIIH-SSDOTTSWSA-N 300.152 2.208 0 40 DEAB CC(C)(C)c1ccc(C(=O)Nc2cc(O)nc3ncnn23)cc1 9087287 UOTFJCVUETYDPN-UHFFFAOYSA-N 311.345 2.380 0 40 DEAB CCc1cccc(C)c1NC(=O)CN1C(=O)N[C@H](C(C)C)C1=O 9861542 URRCBELBVVGNGY-CQSZACIVSA-N 317.389 2.072 0 40 DEAB O=C1NCCN(C(=O)C2CC2)[C@H]1c1ccccc1C(F)(F)F 97081678 YSCPBKIXTAEXEF-LBPRGKRZSA-N 312.291 2.115 0 40 DEAB Cc1cccc(NC(=O)NCc2nncn2-c2ccccc2)n1 97142746 HERFNUPYCKMEAG-UHFFFAOYSA-N 308.345 2.292 0 40 DEAB CC(=O)c1c(C)[nH]c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1C 95983113 YJZPSYOYOXJNIL-GFCCVEGCSA-N 315.377 2.320 0 40 DEAB O=S(=O)([C@@H]1CCOC1)N1CCC[C@H]1CCc1ccccc1 95398583 FSBOOGCLIRLBKS-JKSUJKDBSA-N 309.431 2.202 0 40 DEAB CC(=O)c1cc(C(=O)N[C@H](C)CN(C)c2ccccc2)n(C)c1 84638237 KLAQSFREWPNDKL-CYBMUJFWSA-N 313.401 2.482 0 40 DEAB CN(C)C[C@H]1COc2ccccc2CN1C(=O)c1cscn1 72394835 AITQAUQGWDTSHZ-ZDUSSCGKSA-N 317.414 2.108 0 40 DEAB CCO[C@@H]1C[C@H]1C(=O)NCCc1c[nH]c2ccc(OC)cc12 79051161 TVUDNXHFUANOGZ-GDBMZVCRSA-N 302.374 2.260 0 40 DEAB CCCCOc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)O)cc1OC 62715641 CRYFSCKIQGYOBK-CRALRDPISA-N 321.373 2.477 0 40 DEAB CC1(C)OCC2(CO1)CN(C(=O)Cc1ccccc1Cl)C2 70971838 STADJDLACYADBJ-UHFFFAOYSA-N 309.793 2.494 0 40 DEAB Cc1ccc(CNC(=O)C(=O)c2cnn(-c3ccccc3)c2)n1C 79103217 RJAFNJAHOSRBSY-UHFFFAOYSA-N 322.368 2.018 0 40 DEAB O=C(NCC[C@H](O)c1ccsc1)c1ccc2c(c1)OCO2 217528506 SUWROBFEDRQNAM-LBPRGKRZSA-N 305.355 2.330 0 40 DEAB COc1ccccc1[C@H]1CN(C(=O)c2cccnc2)CCN1C 36132093 BGQKHMFBAIIENB-MRXNPFEDSA-N 311.385 2.219 0 40 DEAB Cc1noc2ncc(NC(=O)c3cn(-c4ccccc4)nn3)cc12 75126628 AMHYHKIXXMNXJB-UHFFFAOYSA-N 320.312 2.364 0 40 DEAB CC[C@H](NC(=O)c1cn2c(n1)CCC2)c1c(C)nn(C)c1C 567614835 FXCIRJRPDDEQTG-LBPRGKRZSA-N 301.394 2.061 0 40 DEAB Cc1cccc(C2=NO[C@@H]3CN(Cc4cnc(C)nc4)C[C@@H]23)c1 72343237 GFCHDOVTJUTZFO-IAGOWNOFSA-N 308.385 2.328 0 40 DEAB Nc1ncc2c(n1)CN(Cc1cccc(C(F)(F)F)c1)C2=O 46087677 JLJKVSYKUKCXEF-UHFFFAOYSA-N 308.263 2.234 0 40 DEAB CCn1cnnc1CNC(=O)c1cc2c(s1)CC[C@@H](C)C2 44942338 CRBPKNCMRGRBOX-SNVBAGLBSA-N 304.419 2.414 0 40 DEAB Cc1noc(-c2cccnc2N2CCC3(CC2)OC[C@H](C)O3)n1 78294703 VOYRDSHMDXVHDO-NSHDSACASA-N 316.361 2.172 0 40 DEAB O=C(NC1CCN(CN2CCSC2=O)CC1)c1ccccc1 44895389 YLPLVVFIFPWLOE-UHFFFAOYSA-N 319.430 2.007 0 40 DEAB C[C@H](NC(=O)N1CCOCC(F)(F)C1)c1nc2ccccc2[nH]1 419588887 PIPHWRGXAOVTKI-JTQLQIEISA-N 324.331 2.301 0 40 DEAB O=Cc1c(Cl)nc(-c2ccccc2)nc1N1CCOCC1 223441837 NKRCNAPFDZLTMH-UHFFFAOYSA-N 303.749 2.446 0 40 DEAB Cn1nc(C(=O)NC2CCCCC2)cc1NC(=O)c1ccco1 40745717 SKJXTMKSUHFZQA-UHFFFAOYSA-N 316.361 2.328 0 40 DEAB COCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl 225282962 DCCPQAAKKKCUSR-UHFFFAOYSA-N 302.783 2.059 0 40 DEAB CC(C)(C)OC(=O)NCCSN1C(=O)c2ccccc2C1=O 228971213 UMAYDYJWQGNYHW-UHFFFAOYSA-N 322.386 2.456 0 40 DEAB O=C(Cn1ccccc1=O)Nc1nc2c(s1)CCCCC2 40034663 BHSGAGXWIANJBL-UHFFFAOYSA-N 303.387 2.212 0 40 DEAB CO[C@H]1C[C@H](c2nc(C)no2)N(C(=O)N[C@H](C)CC(C)C)C1 190140203 WCKQNYJGEDWRJN-KGYLQXTDSA-N 310.398 2.284 0 40 DEAB C[C@]1(O)C[C@@H](NS(=O)(=O)c2cc(Cl)sc2Cl)C1 331754346 HEBLWGXGRXXAQT-LCIHJAJSSA-N 316.231 2.247 0 40 DEAB O=C(c1ccc2[nH]ccc2c1)N1CC[C@@H](O)[C@@H]1Cc1cccnc1 96200121 DAQHHUNMJUIVQT-ZWKOTPCHSA-N 321.380 2.381 0 40 DEAB COCc1cnc2n1CCN(Cc1ccc3c(c1)OCO3)[C@H]2C 96109527 NHSKGYSZRXVXHY-LBPRGKRZSA-N 315.373 2.335 0 40 DEAB COCCC(=O)N1C[C@@H]2[C@@H](C1)CN2Cc1cccc(Cl)c1 96080506 ADRNTWROVABNKC-UKRRQHHQSA-N 308.809 2.019 0 40 DEAB O=C(N[C@H]1CCN(C(=O)CCc2ccccc2)C1)c1ccccn1 96462297 RQIDKFPSENONNO-INIZCTEOSA-N 323.396 2.045 0 40 DEAB CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)CCCNC(=O)C1CC1 96411304 FUEDOBSMQMDLNW-GOEBONIOSA-N 324.465 2.250 0 40 DEAB CC(C)Oc1ncccc1CNC(=O)C(F)(F)C1(O)CCC1 95449072 KAFOUEFNCNJPQC-UHFFFAOYSA-N 314.332 2.035 0 40 DEAB COc1ccccc1[C@H]1CN(C(=O)c2cc(C)on2)CCN1C 257232273 GKCMWCFUNOPLDN-OAHLLOKOSA-N 315.373 2.121 0 40 DEAB Nc1cccc([C@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)n1 257248764 JFCOCXBDSQMJHI-ZNFPLGDCSA-N 309.369 2.277 0 40 DEAB Cn1cncc1-c1ncccc1C(=O)N1CCC(F)(F)CC1 257221384 DOURSVPIZFZCBH-UHFFFAOYSA-N 306.316 2.353 0 40 DEAB CNc1cc([C@@H]2CCCN2C(=O)CCc2ccnn2C)ccn1 257218647 DDYVLQYZDFOKEI-HNNXBMFYSA-N 313.405 2.153 0 40 DEAB Cn1cncc1-c1ncccc1C(=O)NCCc1ccccc1 257290322 QCKKKDCADYVHCV-UHFFFAOYSA-N 306.369 2.455 0 40 DEAB CO[C@H]1CCN(C(=O)COc2ccccc2F)C[C@@]12CCCO2 257323234 WJGQUKUBAWWCPV-RDJZCZTQSA-N 323.364 2.001 0 40 DEAB COCC(=O)N1CCC[C@@](C)(c2nc(C)n3ccsc23)C1 257308481 TWWIFBUMUJRQKG-OAHLLOKOSA-N 307.419 2.231 0 40 DEAB O=C(N[C@@H]1CCCC[C@@H](Oc2ccccc2)[C@@H]1O)c1cnco1 257309982 UDEFNRXYSAQBGV-IIAWOOMASA-N 316.357 2.156 0 40 DEAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCCN2C[C@H](C)O[C@H](C)C2)s1 69322090 LSBQQYJQLUHXIX-OSRDXIQISA-N 322.474 2.385 0 40 DEAB Cc1cc(CNC2(CO)CCOCC2)ccc1Br 72738428 UVNYTWWNHGVORA-UHFFFAOYSA-N 314.223 2.389 0 40 DEAB COc1cccc(OCC(=O)NC[C@H](O)C2CCCCC2)c1 75155604 YLGVOSUDLSOGBS-INIZCTEOSA-N 307.390 2.131 0 40 DEAB C[C@H]1CCC[C@H](C)N1C(=O)CN1CCC(c2cnn(C)c2)CC1 97203626 MIHVXURIIPTQID-GJZGRUSLSA-N 318.465 2.389 0 40 DEAB Cc1cc(C(=O)N(Cc2ccccc2)[C@H](CO)C(C)C)[nH]n1 195563109 DJTVEWXKJFKTPA-MRXNPFEDSA-N 301.390 2.377 0 40 DEAB C[C@@H](CNCc1sccc1Br)N1CCOCC1 97378270 XWMXDBFJGZJMBT-JTQLQIEISA-N 319.268 2.321 0 40 DEAB CNC(=O)[C@H]1CN(Cc2cn(C(C)C)c3ccccc23)CCO1 19747365 FZBNBVHXFKREAL-QGZVFWFLSA-N 315.417 2.169 0 40 DEAB CC(C)n1nccc1C(=O)NCc1nc(-c2ccccc2)no1 12202483 RVMVYBMMGBJENV-UHFFFAOYSA-N 311.345 2.444 0 40 DEAB c1c2c(cc3c1cc(CNC1CCCC1)c1nnnn13)OCO2 13998137 GBFOKLDMBSHXBC-UHFFFAOYSA-N 311.345 2.038 0 40 DEAB CCOC(=O)c1nc(N)[nH]c(=O)c1CCCCc1ccccc1 17040243 DDOPCCMSWXGJOZ-UHFFFAOYSA-N 315.373 2.094 0 40 DEAB CC(=O)N[C@@H](c1ccccn1)C1CCN(C[C@@H]2CCOC2)CC1 19020434 NGQNHBIFCGPSPW-MAUKXSAKSA-N 317.433 2.007 0 40 DEAB CC(=O)NCC[C@@H]1CCCCN1C(=O)c1sc(C)nc1C 19748989 KCJMDNUKYYWJKA-ZDUSSCGKSA-N 309.435 2.281 0 40 DEAB 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PHJVZHGUYARWRN-AWEZNQCLSA-N 306.406 2.319 0 40 DEAB CC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccccc2)s1)C(C)C 326319 ZPACRCVXJCMZPC-GFCCVEGCSA-N 318.402 2.304 0 40 DEAB CCONC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1 32914302 XLYHQCPZMYZVQB-UHFFFAOYSA-N 317.345 2.039 0 40 DEAB O=C1N[C@H]2c3ccccc3C(=O)N2c2c1cnn2-c1ccccc1 544701 FGYIGBHAOHHCHP-OAHLLOKOSA-N 316.320 2.275 0 40 DEAB CCO[C@H]1C[C@H](NC(=O)c2c(C)c(C)n[nH]c2=O)C1(CC)CC 79018576 KPXKHOVAQXVLPL-STQMWFEESA-N 321.421 2.100 0 40 DEAB N[C@H](CCCOS(=O)(=O)O)Cc1ccc2ccccc2c1 2024286 WYFUVNLTXIBIMU-OAHLLOKOSA-N 309.387 2.309 0 40 DEAB NS(=O)(=O)c1ccc2c(c1)CCN2Cc1cccc(F)c1F 12550065 SVONRUBFKLAPLC-UHFFFAOYSA-N 324.352 2.175 0 40 DEAB C[C@@H]1CCCCN1C(=O)CCS(=O)(=O)Cc1ccccc1 4735706 VNWAFXIDOHFGSN-CQSZACIVSA-N 309.431 2.393 0 40 DEAB CCOc1ccc(C(=O)[C@H](C)Sc2nc(N)cc(N)n2)cc1 6533408 TVMOVYSVSRNIRW-VIFPVBQESA-N 318.402 2.403 0 40 DEAB CC(C)c1cc(NC(=O)[C@H]2CCCOC2)n(-c2ncccn2)n1 108733646 GAAQHMKWTBDNNB-LBPRGKRZSA-N 315.377 2.151 0 40 DEAB 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DEAB CN(C1CC1)S(=O)(=O)NCc1ccc(Cl)cc1Cl 95398999 VLTAXOHBPZJTIC-UHFFFAOYSA-N 309.218 2.422 0 40 DEAB C[C@H]1c2cccn2CCN1C(=O)CCc1nc(C2CC2)no1 89941528 UPPCAKJCMKAGGF-NSHDSACASA-N 300.362 2.285 0 40 DEAB CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC(=O)O 89943649 HBPMRBYMOKJHOP-JTQLQIEISA-N 314.179 2.219 0 40 DEAB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2ccccn2)C1 67802637 DBAXEMVCZVGTHL-LBPRGKRZSA-N 305.378 2.211 0 40 DEAB C[C@@]12C(=O)N(c3cccc(C(=O)O)c3)C(=O)[C@@H]1[C@H]1C=C[C@H]2C12CC2 409331704 HISBZJKSYYUJBS-ZXTQRBJTSA-N 323.348 2.477 0 40 DEAB CC1=NN(C(=O)[C@H](O)c2ccccc2)[C@](O)(c2ccccc2)C1 408563645 QVZRZQIWRVJTRG-SJLPKXTDSA-N 310.353 2.174 0 40 DEAB CC(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2sccc21 32072041 OHYALWSEFGMEBO-UHFFFAOYSA-N 306.387 2.319 0 40 DEAB CNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2onc(C)c12 36618527 KNIAKQDDZPQRBW-UHFFFAOYSA-N 311.297 2.287 0 40 DEAB O=C(CN1CCC(c2cccnc2)CC1)Nc1nccs1 72342143 VEWZJDIMWUSFRA-UHFFFAOYSA-N 302.403 2.356 0 40 DEAB C[C@H](c1ccc(Cl)cc1)N1CCN(CCn2cncn2)CC1 75863326 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CCCCCS(=O)(=O)NC(=O)c1ccc(-n2ccnc2)cc1 95987685 VOXNVKFLFIVMND-UHFFFAOYSA-N 321.402 2.122 0 40 DEAB CCCCNC(=S)N/N=c1/c(=O)c2cccc3cccc1c32 84744633 SKQNKZCDWJARGK-XDJHFCHBSA-N 311.410 2.309 0 40 DEAB CCn1cc(NC(=O)N[C@H](C[S@](C)=O)c2ccccc2)cn1 95407629 OQTKZRGFDOKPLY-JLCFBVMHSA-N 320.418 2.144 0 40 DEAB CC(=O)N1CC[C@H](NCc2cccc3c2OCCCO3)[C@@H](C)C1 89937599 IRMACDRYYWIIHA-BBRMVZONSA-N 318.417 2.194 0 40 DEAB Cc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1nnc2n1CCC2 76956933 BCBXONYBYNOBEJ-CABCVRRESA-N 310.401 2.295 0 40 DEAB CN(Cc1cnn(C)c1)Cn1nc(-c2ccccc2)[nH]c1=S 24656001 MQHQPUBXKXRHHX-UHFFFAOYSA-N 314.418 2.431 0 40 DEAB Cc1c(Cl)cccc1N1CCN(c2nccc(CO)n2)CC1 1551211404 HSDNBVYYPDOOPA-UHFFFAOYSA-N 318.808 2.257 0 40 DEAB O=C(NC[C@]12C[C@H]1COC21CCC1)Nc1ccc2nccn2c1 1553099498 COWMYXAGWHZOHN-BLLLJJGKSA-N 312.373 2.415 0 40 DEAB CCCc1nnc(SCC(=O)NC(C)C)n1Cc1ccco1 35313867 DVAJFKZHSDZOJQ-UHFFFAOYSA-N 322.434 2.489 0 40 DEAB Brc1cc(I)c2ncnn2c1 504432608 LHBZYEARVGNRFU-UHFFFAOYSA-N 323.919 2.096 0 40 DEAB 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316.405 2.428 0 40 DEAB Cc1cc(C(=O)N2CC[C@@](C)(O)[C@H](Oc3ccccc3)C2)no1 257247017 IXADGUJBYAQYCG-NVXWUHKLSA-N 316.357 2.028 0 40 DEAB O=C(NCCCc1cnoc1)C1(c2ccccc2)CCOCC1 252492422 MLRLQPWOJVDERW-UHFFFAOYSA-N 314.385 2.472 0 40 DEAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CCC[C@@H]1c1ccncn1 257318682 VOZFRIKDKUETQM-MRXNPFEDSA-N 320.356 2.239 0 40 DEAB CN(C)c1ccc([C@H](O)CNC(=O)c2cc(C3CC3)on2)cc1 90611823 LCMBGXXVWFXCFF-OAHLLOKOSA-N 315.373 2.081 0 40 DEAB CCOc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2)cn1 96384251 IJQLFSFNQJVIOZ-UHFFFAOYSA-N 316.361 2.281 0 40 DEAB OC1(COc2ccc(F)cc2)CCN(C2CCOCC2)CC1 585269341 PSSDBDYTFTYJDK-UHFFFAOYSA-N 309.381 2.210 0 40 DEAB CCCCN1CCC[C@@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 585100064 DRFIFYYLYRPCMC-GOSISDBHSA-N 323.481 2.158 0 40 DEAB CCC(CC)[C@H](O)CNC(=O)Nc1cnn(CC(F)(F)F)c1 72294257 QEXCURNYLOISTQ-LLVKDONJSA-N 322.331 2.364 0 40 DEAB COc1ccc2c(c1)CN(C(=O)NC[C@@H]1NCCCC1(C)C)C2 952847867 WHOOORZXSQISHB-INIZCTEOSA-N 317.433 2.499 0 40 DEAB Cc1nc(/C=C/C(=O)OC[C@H]2CN(CC(C)C)CCO2)cs1 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318.354 2.014 0 40 DEAB COc1cc(CNCc2cccnc2OC)cc2c1OCCO2 30901346 GBIBUVYYJKXBHU-UHFFFAOYSA-N 316.357 2.160 0 40 DEAB CCOc1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 40478793 TWMUENQLAZHVED-UHFFFAOYSA-N 302.355 2.198 0 40 DEAB COCCN(CC(=O)N(C)C)Cc1c(F)cccc1Cl 51920584 DATWJFASJLCRAS-UHFFFAOYSA-N 302.777 2.016 0 40 DEAB CC(=O)N1CCN(CCNc2cc(C)c3ccccc3n2)CC1 52129272 MWRWGDHGZQHPBS-UHFFFAOYSA-N 312.417 2.119 0 40 DEAB Cc1c(C(=O)N2CC[C@@H](C(N)=O)C2)sc2cccc(F)c12 41128430 VCQOCKQKOQIDJK-SECBINFHSA-N 306.362 2.296 0 40 DEAB O=C(O)c1cc(S(=O)(=O)N2CCCCC2)sc1Cl 480763 OXOSIQHHHWVUEL-UHFFFAOYSA-N 309.796 2.274 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccco1 21914488 KFAUYRMSVNPAAA-UHFFFAOYSA-N 324.739 2.461 0 40 DEAB CSc1nn(C)c2nc3sc4c(c3c(=O)n12)CCCC4 554228 LZKOPHUNVGYIKU-UHFFFAOYSA-N 306.416 2.243 0 40 DEAB CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1ccccc1 104687339 DMZGWRNSBCBCJQ-UKRRQHHQSA-N 324.446 2.068 0 40 DEAB NC(=O)CCCNC(=O)c1cc2c(s1)-c1ccccc1OC2 42927383 KHDXIIQMUZNPAO-UHFFFAOYSA-N 316.382 2.303 0 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O=C(NCCCCc1ccccc1)c1cnc2ccccn2c1=O 48251658 RQEPTMDGKHUVJO-UHFFFAOYSA-N 321.380 2.447 0 40 DEAB CCc1ccc(NC(=O)CSc2n[nH]c(=O)n2C2CC2)cc1 3385595 LOZUTSUBTDUJOR-UHFFFAOYSA-N 318.402 2.200 0 40 DEAB CCc1cc(C(N)=O)c(NC(=O)c2ccc3c(c2)OCO3)s1 27922004 FJDFTQNAYILRCD-UHFFFAOYSA-N 318.354 2.390 0 40 DEAB COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccncc3)cnc12 13639035 URRMEJPDDUUSGE-UHFFFAOYSA-N 306.325 2.330 0 40 DEAB COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2C)c1 24358396 ICEGGMSUNVYUQT-UHFFFAOYSA-N 319.382 2.260 0 40 DEAB O=C(CCN(CCO)C1CC1)Nc1cccc(C(F)(F)F)c1 83168630 YBTXFZRAFUULAA-UHFFFAOYSA-N 316.323 2.491 0 40 DEAB O=C(CCc1ccc(F)c(F)c1)N[C@@H]1CCc2nccn2C1 65465700 OCCJXDLMYSVFKP-GFCCVEGCSA-N 305.328 2.225 0 40 DEAB COc1ccc(OC)c([C@@H](O)CNC(=O)Nc2nccs2)c1 65407727 GAZSOQXLOCWWQZ-NSHDSACASA-N 323.374 2.015 0 40 DEAB CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1ccc[nH]c1=O 65575363 WNCBAJCYJYCSCN-UHFFFAOYSA-N 311.341 2.000 0 40 DEAB CNC(=O)[C@H](NC(=O)c1nccc2ccccc12)c1ccccc1 65553906 PXPHQKLLAONACT-MRXNPFEDSA-N 319.364 2.452 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HAEVQIPGCOTWIZ-UHFFFAOYSA-N 306.406 2.308 0 40 DEAB COC(=O)[C@H](C)NC(=O)c1cc(C)c(OC(F)F)c(C)c1 69527590 IIUQHPJYYSIMGX-VIFPVBQESA-N 301.289 2.196 0 40 DEAB Cc1n[nH]c(=O)c(C(=O)Nc2cccc(-n3cccc3)c2)c1C 69588589 UWHSVUKCYVCROF-UHFFFAOYSA-N 308.341 2.430 0 40 DEAB Cc1nc(C)n(C[C@H]2CCCCN2Cc2nc(C3CC3)no2)n1 69624273 PTXXOBXALPEPDJ-CQSZACIVSA-N 316.409 2.210 0 40 DEAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCC[C@H]1Cn1cccn1 69770568 IQAXQTULSUFWKP-WFASDCNBSA-N 315.421 2.028 0 40 DEAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3nc(C4CC4)no3)C2)n1 69841418 NJXLBPPJYGALPQ-CYBMUJFWSA-N 316.409 2.068 0 40 DEAB CSC[C@](C)(O)CN[C@H](C)CC(=O)Nc1ccc(F)cc1 97017028 OIDKATXVOUGXFU-IAQYHMDHSA-N 314.426 2.246 0 40 DEAB COc1ccc(C)cc1C(=O)N1CCC[C@@H](n2cncn2)C1 72234736 YWSHNFXHXVARTR-CYBMUJFWSA-N 300.362 2.072 0 40 DEAB Cc1nn(C)c(C)c1[C@@H]1OCC[C@@H]1CNCc1cccnc1 72298350 NILAFZYGZMVKHO-NVXWUHKLSA-N 300.406 2.299 0 40 DEAB Cn1cc(N2CCC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cn1 98014203 RZBWCZLUWJKVPC-CQSZACIVSA-N 317.368 2.350 0 40 DEAB Cc1cnc(CN(C)[C@@H]2CCN(CCc3ccccn3)C2)o1 84258883 NZYDJXOSBJEGJL-MRXNPFEDSA-N 300.406 2.127 0 40 DEAB Cc1nc(CNC(=O)N2CCC[C@H]3CN(C)CC[C@@H]32)sc1C 97234398 MNFRNGDZSULPHI-KBPBESRZSA-N 322.478 2.386 0 40 DEAB CN(CCOCC1CC1)C(=O)N[C@H]1CCc2c(O)cccc21 88594943 FGTRYZHTSFAFSF-HNNXBMFYSA-N 304.390 2.448 0 40 DEAB Cn1cc(CNc2ccc(Oc3cccc(C(N)=O)c3)nc2)cn1 95992335 SPGMLZOFVZKYDV-UHFFFAOYSA-N 323.356 2.318 0 40 DEAB Cn1ccnc1COc1ccc(C(=O)OC[C@H]2CCCO2)cc1 95349741 ICAAAEOADPKRHY-OAHLLOKOSA-N 316.357 2.335 0 40 DEAB COCc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1C(C)=O 84718333 FVBWZSGPZOPXHU-AWEZNQCLSA-N 310.781 2.436 0 40 DEAB O=C(OCCCn1cccn1)c1ccc2nnc(C(F)F)n2c1 95423528 RBORCRILLJMIBY-UHFFFAOYSA-N 321.287 2.111 0 40 DEAB CCC(C)(C)c1ccc(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1 95435294 HUDJNXXWBNUKOG-CABCVRRESA-N 318.417 2.137 0 40 DEAB Cc1cc(CSCC(=O)NC[C@H]2Cc3ccccc3O2)on1 95418031 ORZZLQMXQFPJQD-CYBMUJFWSA-N 318.398 2.336 0 40 DEAB Cc1sc2nc([C@@H](C)N3CCC[C@H](O)C3)nc(N)c2c1C 95947279 IQYADMLHIKQHGA-KOLCDFICSA-N 306.435 2.408 0 40 DEAB CC(C)(O)CSCCNC(=O)N1CC[C@@H]2CCCC[C@@H]21 74761352 GJIPZFNPCDNVQH-STQMWFEESA-N 300.468 2.465 0 40 DEAB COC(=O)[C@H](OC(=O)c1cccc2cn[nH]c12)c1cccnc1 89396364 CGPKEFLLBSSFEB-CQSZACIVSA-N 311.297 2.029 0 40 DEAB CC(=O)NC(C)(C)c1noc(C[C@@H]2OCCc3ccccc32)n1 75139472 YMRMTVDIEGSRDF-AWEZNQCLSA-N 315.373 2.297 0 40 DEAB CC(C)N(C)CC(=O)Nc1cccc(Nc2cnn(C)c2)c1 89869454 DXUQUMCWXOEYFX-UHFFFAOYSA-N 301.394 2.442 0 40 DEAB O=C1N(c2ccc(F)cc2)Cc2nn(Cc3ccccc3)c(=O)n21 1547201111 KKASYCHJZMDCRI-UHFFFAOYSA-N 324.315 2.221 0 40 DEAB CCN(CC)CC(=O)NCc1nc(-c2ccncc2)cs1 68346965 YKDOAKWELFGHRE-UHFFFAOYSA-N 304.419 2.163 0 40 DEAB O=C(CCCc1nnc2ccccn12)NCCc1ccccc1 72402532 XMPSSZLSSHWORB-UHFFFAOYSA-N 308.385 2.411 0 40 DEAB CCS(=O)(=O)[C@H]1[C@@H](C(N)=S)[C@@H]1c1cccc(Cl)c1 218573922 OBDOWLZLEZLOMA-GARJFASQSA-N 303.836 2.143 0 40 DEAB Cc1nc(COc2cccc3ccccc23)[nH]c(=O)c1CC(=O)O 217392513 AKVGCXUGYASNSY-UHFFFAOYSA-N 324.336 2.438 0 40 DEAB Cc1nc(C)c(CC(=O)N2CC[C@@H](c3n[nH]cc3C)C2)s1 72386132 VXMWXGAGZDTXRU-GFCCVEGCSA-N 304.419 2.350 0 40 DEAB CC(=O)N1CCC(c2nccnc2Nc2nccs2)CC1 72364730 DEBNDEUJFHXNGR-UHFFFAOYSA-N 303.391 2.403 0 40 DEAB O=C(O)/C=C\C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 32645636 QZLDJSBGYCTNCU-KTKRTIGZSA-N 324.336 2.447 0 40 DEAB CN1C(=O)C[C@H](C(=O)NCc2ccco2)[C@@H]1c1ccc(F)cc1 72242185 HISCOILYNCNHPE-HOCLYGCPSA-N 316.332 2.255 0 40 DEAB CCC[C@]1(C)C(=O)NCCN1C(=O)c1ccc(C(C)=O)cc1 189860747 ATOSPYJGQHZMIX-QGZVFWFLSA-N 302.374 2.020 0 40 DEAB Cc1noc([C@@H]2CCCN(Cc3ccc(C(=O)O)cc3)C2)n1 563277526 NYMWAXCYXJYFHG-CQSZACIVSA-N 301.346 2.456 0 40 DEAB CCOc1ccc(Nc2ncccc2S(=O)(=O)NC)cc1 49402367 RGAKETRXALTPLN-UHFFFAOYSA-N 307.375 2.132 0 40 DEAB Cc1ccccc1[C@@H](CN1CCOCC1)NC[C@H]1CCCO1 195560576 MMMAMPJRWUJNIL-SJLPKXTDSA-N 304.434 2.137 0 40 DEAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCO[C@]2(CCNC2)C1 1580813260 PDETVZHXMDMTTO-INIZCTEOSA-N 319.792 2.026 0 40 DEAB C[C@H](NC1Cc2ccccc2C1)c1nnnn1-c1ccccc1 96477790 HZHHLXILIQLJTL-ZDUSSCGKSA-N 305.385 2.480 0 40 DEAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCC[S@@](C)=O 96408791 SEWMDZNWXCPGAZ-ZSEKCTLFSA-N 310.463 2.421 0 40 DEAB CCCn1nnnc1CNc1ccc(NC(C)=O)cc1Cl 96453526 VBKSPCDZXUDDTQ-UHFFFAOYSA-N 308.773 2.307 0 40 DEAB COC(=O)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccccc1Cl 96461564 KTYYTDQNXSOWDL-SECBINFHSA-N 321.764 2.269 0 40 DEAB CC[C@@H](NC(=O)NCc1cc(F)cc(OC)c1)c1noc(C)n1 94039348 GVCDFWZLQLBDLN-CYBMUJFWSA-N 322.340 2.476 0 40 DEAB CCS[C@@H]1CCC[C@H]1NC(=O)CNC(=O)c1ccccc1 96450561 XMGLIGNOJGEILJ-ZIAGYGMSSA-N 306.431 2.207 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cn1 96229692 UHYPTDBCTGEDRG-QGZVFWFLSA-N 301.390 2.007 0 40 DEAB CO[C@H]1CCC[C@@H]1OC(=O)c1cn(Cc2cccc(F)c2)nn1 96468833 KKCYKEUVXBTRKV-GJZGRUSLSA-N 319.336 2.190 0 40 DEAB C[C@@H]1[C@@H](CO)[C@@H]2C[C@@H]3c4[nH]c5ccccc5c4C[C@H]([C@@H]2CO)N31 1077996744 PBLXNPSLWYWTKM-SFVCMNCTSA-N 312.413 2.075 0 40 DEAB biogenic CC(C)NC(=O)c1nc2c(s1)CCCN2c1ncccn1 96264648 LBPMYMQKKYLPEY-UHFFFAOYSA-N 303.391 2.156 0 40 DEAB Cc1ccc2c(c1)nc1n2[C@@H](CNC(=O)c2ccncc2)COC1 96112523 OXPYOZAZHFPSJY-AWEZNQCLSA-N 322.368 2.241 0 40 DEAB biogenic,in-vitro CN(C)S(=O)(=O)N1CCC(F)(c2ccc(Cl)cc2)CC1 252482606 DKKIMUVHTFMRSS-UHFFFAOYSA-N 320.817 2.407 0 40 DEAB COc1ccc(OCC(=O)N2CCC[C@]3(C)NCCC[C@@H]23)cc1 257207803 BJIHJBQMRMHYME-AEFFLSMTSA-N 318.417 2.207 0 40 DEAB CCCOC1CCN(C(=O)c2cc(C)nc3ccnn23)CC1 257215765 CRODMAAIPIHBQS-UHFFFAOYSA-N 302.378 2.069 0 40 DEAB CO[C@H]1CN(C(=O)COc2cccc(F)c2)CC[C@@]12CCCO2 257313123 URDAJEMTQYFZLC-RDJZCZTQSA-N 323.364 2.001 0 40 DEAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3[nH]nnc3c2)n1 257243420 IGWVAWQPDZSKIN-HNNXBMFYSA-N 308.345 2.034 0 40 DEAB CC(C)C[C@H](NC(=O)c1occc1Br)C(=O)O 185325058 QLQNHUUQXIZCPF-QMMMGPOBSA-N 304.140 2.271 0 40 DEAB CC(C)(C)[C@@H]1CNC(=O)[C@H]1C(=O)NCc1c[nH]c2ccccc12 585149507 BLUKXBPQYMLZEE-UKRRQHHQSA-N 313.401 2.192 0 40 DEAB CC[C@@H](C)N1CCC[C@]2(CCC(=O)N2CC(=O)NC(C)C)CC1 585100776 WEAYWSTWSSEAGD-QAPCUYQASA-N 323.481 2.157 0 40 DEAB COCc1nnc2n1CCN(C(=O)c1cccc(Cl)c1)[C@H]2C 585097519 KYYFRQVBNWZLKZ-JTQLQIEISA-N 320.780 2.295 0 40 DEAB CN1CC[C@@H](COc2ccccn2)CC12CN(C1CCC1)C2 585102875 LPIMTDBGPKTLHB-OAHLLOKOSA-N 301.434 2.409 0 40 DEAB Cc1cc(N2CCN(Cc3csc(C4CC4)n3)CC2)ncn1 1776009318 DBNAGQWPFPTCCA-UHFFFAOYSA-N 315.446 2.441 0 40 DEAB CC(C)c1nc([C@H]2CCCN2CC(=O)Nc2cccnc2)no1 75582731 STGKVIRSUGYKRR-CYBMUJFWSA-N 315.377 2.364 0 40 DEAB Cc1ncncc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 75602349 VULBSQBTQHTFQJ-LBPRGKRZSA-N 319.796 2.458 0 40 DEAB COCC(=O)N[C@H](C(=O)NC[C@H]1C[C@@H]1C1CCCCC1)C(C)C 96014015 CYKDTZWFKDJETM-INMHGKMJSA-N 324.465 2.106 0 40 DEAB CC(C)CN(CC(=O)O)C(=O)c1coc(Br)c1 96999751 VTHMXPQPPKLNBA-UHFFFAOYSA-N 304.140 2.225 0 40 DEAB CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(=O)OC)c1 156778138 LUPDQAFSSQJFQD-MRVPVSSYSA-N 305.783 2.203 0 40 DEAB Cc1cc([C@@H](C)N2CCC[C@@H](n3ccnn3)C2)oc1C(=O)O 575188414 XLNWBJUXAVGKRQ-VXGBXAGGSA-N 304.350 2.276 0 40 DEAB Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc2cccnc12 18996255 WMQWGYVDDRIZDP-UHFFFAOYSA-N 302.359 2.376 0 40 DEAB O=C(NCC(=O)N1CCC1)c1ccc(Oc2ccccc2)cc1 5422704 NFYQTGQJPOEXHJ-UHFFFAOYSA-N 310.353 2.441 0 40 DEAB COc1ccccc1CN[C@@H]1CCc2onc(CN(C)C)c2C1 2055734878 UXWYQCSGLQNYQK-CQSZACIVSA-N 315.417 2.392 0 40 DEAB Cc1cccc(C(=O)N2CC(Cn3nc(C4CC4)ccc3=O)C2)c1 1775967052 CMTJVXJBWFXTOT-UHFFFAOYSA-N 323.396 2.201 0 40 DEAB CC[C@H](C)NC(=O)Cn1cnc2c([nH]c3ccc(C)cc32)c1=O 35423768 DOZNNOHLFAYKJM-NSHDSACASA-N 312.373 2.101 0 40 DEAB Cc1cc(C)n2nc(CC(=O)N[C@@H](C)c3ccccc3)nc2n1 31550581 UZGVKLJZPDEBRT-ZDUSSCGKSA-N 309.373 2.161 0 40 DEAB CCOC(=O)c1csc(NC(=O)CCc2c(C)noc2C)n1 40460884 WRGTYFBDLBCIKC-UHFFFAOYSA-N 323.374 2.496 0 40 DEAB COC(=O)C[C@H](NC(=O)[C@@H](C)OCC(C)C)c1ccccc1 40541459 QRCDTWRBHGJZMP-HIFRSBDPSA-N 307.390 2.468 0 40 DEAB Cc1cccc(N2CCN(CC[C@H](C)NC(=O)C3CC3)CC2)c1 32579762 RGKPHPUVUBRLHS-INIZCTEOSA-N 315.461 2.422 0 40 DEAB Cc1ccc(OC[C@H](O)CN2C(=O)CC3(CCCC3)C2=O)cc1 32751135 PNJVXMGYWHMTBF-CQSZACIVSA-N 317.385 2.054 0 40 DEAB Cc1c([C@@H](C)NC(=O)N2CCNC(=O)CC2)oc2ccccc12 105163170 DLHUTVAXTJUTSY-GFCCVEGCSA-N 315.373 2.334 0 40 DEAB CCOC(=O)C1CCN(C(=O)c2ccc(OC(C)=O)cc2)CC1 49686 IZEWOJPYHYXHCD-UHFFFAOYSA-N 319.357 2.027 0 40 DEAB O=S(=O)(NCc1ccccc1F)NCc1ccccc1F 1387511 ONPCSZSNRBSXOC-UHFFFAOYSA-N 312.341 2.089 0 40 DEAB NC(=O)CCN(C(=O)Cc1cccc(F)c1)c1ccccc1 25050589 XSFIPCQJNLUAOX-UHFFFAOYSA-N 300.333 2.277 0 40 DEAB CC(C)(CNC(=O)c1cc(Cl)ccc1OC(F)F)C(N)=O 79013089 DDOGIEKHVHYICK-UHFFFAOYSA-N 320.723 2.183 0 40 DEAB Cc1cc(NC(=O)NC[C@H](c2cccs2)N(C)C)n(C)n1 43435168 NOVFSFAJUVXRFA-LLVKDONJSA-N 307.423 2.214 0 40 DEAB CCN1CCC(NC(=O)CN2CCC[C@H]2C2CCCC2)CC1 56308841 XRPBBPQYNJATQN-KRWDZBQOSA-N 307.482 2.242 0 40 DEAB O=C(NCCCn1cccn1)NCCOc1ccc(Cl)cc1 48069914 YRZLUTDJFHDMFH-UHFFFAOYSA-N 322.796 2.305 0 40 DEAB C[C@H]1CN(C(=O)CSc2ncnc3ccccc23)C[C@H](C)O1 3294523 YERBXCRVOYHNCK-RYUDHWBXSA-N 317.414 2.358 0 40 DEAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2)c(OC)c1 3293758 GQVRHIVPAFGHMD-UHFFFAOYSA-N 315.325 2.499 0 40 DEAB O=C(NC1=NCCS1)c1cnn(Cc2ccccc2Cl)c1 10028398 FFEMDCVXAZETCS-UHFFFAOYSA-N 320.805 2.417 0 40 DEAB CC(C)Cc1nnc(NC(=O)CCN2CCSC2=O)s1 44873883 FLDJWAJZOYBZSI-UHFFFAOYSA-N 314.436 2.234 0 40 DEAB C[C@@H](NC(=O)Cc1csc(-c2ccccn2)n1)[C@@H]1CCCO1 27879054 VVWVPGFSBMVBLK-RISCZKNCSA-N 317.414 2.431 0 40 DEAB CCSc1ccc(Cl)cc1C(=O)N1CC[C@H](C(N)=O)C1 84812116 ZHJVVEAEKCLESE-VIFPVBQESA-N 312.822 2.399 0 40 DEAB CCc1cccc(CC)c1NC(=O)[C@H]1[C@@H]2C=C[C@H](O2)[C@@H]1C(=O)O 101699841 NTFUABHGAJEVJE-AJNGGQMLSA-N 315.369 2.404 0 40 DEAB Cc1ccccc1C(C)(C)C(=O)N(C)Cc1nnc2n1CCC2 58792588 ARPRZYJORATYKC-UHFFFAOYSA-N 312.417 2.469 0 40 DEAB NS(=O)(=O)CCCSc1ncc(-c2ccc(F)cc2)o1 57747044 FLWWLTDMIZMQEO-UHFFFAOYSA-N 316.379 2.251 0 40 DEAB CC(C)(C)OC(=O)NCCNC(=O)c1cc2ccccc2[nH]1 11866574 CYPGGDDMLJSQOA-UHFFFAOYSA-N 303.362 2.422 0 40 DEAB O=C(NCc1cccnc1)N1CCN(c2ccccc2F)CC1 12800843 TXJVTNWBMXXZEQ-UHFFFAOYSA-N 314.364 2.253 0 40 DEAB Cc1ccc2c(CSc3nc(N)cc(N)n3)cc(=O)oc2c1 3524868 VNEDIYBLCRHHLK-UHFFFAOYSA-N 314.370 2.348 0 40 DEAB C[C@H](CO)CNCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 96010119 DXJGDNQWFPZVNI-VIFPVBQESA-N 315.204 2.292 0 40 DEAB CC1=NS(=O)(=O)NC(C)=C1CCC(=O)Nc1ccc(C)cc1 12980192 RYDHSWIDIIEFIE-UHFFFAOYSA-N 321.402 2.297 0 40 DEAB CN(C)C(=O)N1Cc2cccn2[C@@H](COc2ccccn2)C1 306125957 DGZMLEPAIHGJKP-CQSZACIVSA-N 300.362 2.000 0 40 DEAB O=C(N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc[nH]1 95449708 RUADMYANGMFTHW-CYBMUJFWSA-N 321.739 2.343 0 40 DEAB Cc1ocnc1CN1C(=O)N[C@](C)(c2cc(F)ccc2F)C1=O 95442152 MOGIDJSLMWTULI-OAHLLOKOSA-N 321.283 2.228 0 40 DEAB CN1CCN(C2(CNC(=O)c3ccccc3)CCCCC2)CC1 19795676 YWZWHSDJCVSRIS-UHFFFAOYSA-N 315.461 2.367 0 40 DEAB NCCS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 19765829 KQJLDXLDKFKFNV-SNVBAGLBSA-N 319.213 2.317 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C 84687095 YJETVVXCYLVIFI-MNOVXSKESA-N 310.419 2.358 0 40 DEAB O=C(C[S@](=O)Cc1c(F)cccc1Cl)NCC1CC1 71859030 YSSLYSNMFSSRQX-IBGZPJMESA-N 303.786 2.254 0 40 DEAB C[C@H](NC(=O)N[C@H](C)CO)c1ccc(OCC2CC2)c(F)c1 95413651 WDJAFQYDVMIDFV-MNOVXSKESA-N 310.369 2.356 0 40 DEAB CS(=O)(=O)CCN1CCC(c2nc3ccccc3o2)CC1 71834744 GFXJWDOENNBRFT-UHFFFAOYSA-N 308.403 2.052 0 40 DEAB O=C1NCCN1[C@H]1CCCN(Cc2nc3ccccc3s2)C1 71830532 RQEOTQNWWDAIQN-LBPRGKRZSA-N 316.430 2.286 0 40 DEAB NS(=O)(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 8288540 DPOGWDDCIIGRPT-UHFFFAOYSA-N 324.789 2.169 0 40 DEAB C[C@@H](Cn1cc(Br)cn1)c1n[nH]c(=S)n1C 8498157 ZGASMOQCQPSFIO-LURJTMIESA-N 302.201 2.240 0 40 DEAB FC(F)(F)c1ccnc(N2CCCC[C@H]2Cn2cncn2)n1 69528997 XUZFMGZSZKPAOE-JTQLQIEISA-N 312.299 2.146 0 40 DEAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 9690853 RIUCBFPXFDGGPS-UHFFFAOYSA-N 318.373 2.248 0 40 DEAB Cc1ccc(S(=O)(=O)NC(=O)/C=C/c2nccs2)s1 69697461 CHXCOXOOVOCCAI-ONEGZZNKSA-N 314.413 2.031 0 40 DEAB Cc1nc(CN2CCC[C@H](NCCc3cccs3)C2)no1 69600148 KXSIPXBBUPPXSP-ZDUSSCGKSA-N 306.435 2.236 0 40 DEAB CCOCCN1CCN(CCCOc2ccc(F)cc2)CC1 69700496 PZCIOQOOUIXCOP-UHFFFAOYSA-N 310.413 2.249 0 40 DEAB CNc1nnc(SCc2nc(N)c3ccccc3n2)s1 18341790 ASYKHNZTPRAXAK-UHFFFAOYSA-N 304.404 2.398 0 40 DEAB CC(=O)c1csc(C(=O)N[C@H](CO)Cc2ccccc2)c1 95452596 ZDAAOFUMNWPHQG-AWEZNQCLSA-N 303.383 2.284 0 40 DEAB CN1C(=O)N[C@@](C)([C@H]2CCCN(CCC3CCCC3)C2)C1=O 95402582 FWLBVXUWHBOZKH-YOEHRIQHSA-N 307.438 2.219 0 40 DEAB CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccccc12 21667964 JAVYOYDAAZBCPE-HNNXBMFYSA-N 318.398 2.202 0 40 DEAB COc1ccnc(CN2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)c1 97086137 UPQNWRUVDCBATH-DYVFJYSZSA-N 315.417 2.066 0 40 DEAB CCOC(=O)c1cc(NC(=O)[C@@H](C)c2cccc(F)c2)[nH]n1 97046494 DFDPKMMLHKYLTP-VIFPVBQESA-N 305.309 2.468 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccn(C(C)C)n3)C2)n1 72281843 JPUAKCHVPHBHQE-CQSZACIVSA-N 316.409 2.150 0 40 DEAB CC(C)c1nnc2n1CCN(c1ncnc3sccc13)C2 72276457 LJRTUIMVAYWPJR-UHFFFAOYSA-N 300.391 2.426 0 40 DEAB Cc1nc(C)n([C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 72235411 DEGRIIRLANNNRV-GJZGRUSLSA-N 306.410 2.018 0 40 DEAB Cc1n[nH]c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1 72240448 OSBIVGASHHLLMS-UHFFFAOYSA-N 312.417 2.308 0 40 DEAB 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CC(=O)NCCc1csc2nc(-c3ccccc3C)nn12 5166529 NKYKKFUVKJRKNY-UHFFFAOYSA-N 300.387 2.445 0 40 DEAB O=C(O)CCCNC(=O)c1cccnc1Oc1ccccc1 5665442 UUEFPAVJPHHQCG-UHFFFAOYSA-N 300.314 2.469 0 40 DEAB COC(=O)c1ccc2nc(NC(=O)c3ccnn3C)sc2c1 12444237 IHZSORAYIDIGEA-UHFFFAOYSA-N 316.342 2.069 0 40 DEAB CC(C)NC(=O)N(C)Cc1cc2cccc3c2n(c1=O)CCC3 13687532 ZDTCZZJSNDZPDD-UHFFFAOYSA-N 313.401 2.498 0 40 DEAB CC(C)COc1ccc(Cc2nc(N)nc(N)n2)cc1Cl 16844126 ONJCTNOLOBFAAE-UHFFFAOYSA-N 307.785 2.315 0 40 DEAB COc1cc(/C=C2/[C@H](O)C3CCN2CC3)cc(OC)c1OC 17001521 UUCDXOHIZYYSMS-LPDYGMJQSA-N 305.374 2.140 0 40 DEAB c1csc([C@H](c2nnnn2C2CCCC2)N2CCOCC2)c1 19343027 JZFZKZOWGMEMGC-CQSZACIVSA-N 319.434 2.271 0 40 DEAB CC(C)CC(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1 19446546 ZUUOGCIIPJAYLL-HNNXBMFYSA-N 302.422 2.222 0 40 DEAB Cc1csc(CNS(=O)(=O)c2cc(F)cc(F)c2)n1 36395535 QJNIVMJTHRWEGD-UHFFFAOYSA-N 304.343 2.208 0 40 DEAB CC(C)(C)OC(=O)N1[C@H]2CC(=O)[C@H]1CN(Cc1ccccc1)C2 1848350979 SYLXCDDWDWDCFX-LSDHHAIUSA-N 316.401 2.449 0 40 DEAB COc1cnc(N2CCc3cc(OC)c(OC)cc3C2)nc1 1889114147 FWAAQXWQYQTEKE-UHFFFAOYSA-N 301.346 2.065 0 40 DEAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cnc(C)cn2)c1 23099590 CTAMXGRLQTVROB-LLVKDONJSA-N 301.346 2.293 0 40 DEAB CCOC(=O)N1CCC(NC(=O)c2ccc(OCC)cc2)CC1 24064336 IPBHDFURIRCFRA-UHFFFAOYSA-N 320.389 2.436 0 40 DEAB O=C(N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1)C1(F)CCC1 1565546566 HGQSCOZKALJOSS-HOCLYGCPSA-N 319.380 2.146 0 40 DEAB O=C(N1CC[C@H]2CN(Cc3cccnc3)C[C@H]21)C1(F)CCC1 1565551995 YNOGEWKQJPAGPI-LSDHHAIUSA-N 303.381 2.007 0 40 DEAB CN(C)C(=O)[C@@]1(n2cccn2)CCCN(CC2CCCCC2)C1 2055771687 QUXKPLBKOLZDNG-GOSISDBHSA-N 318.465 2.343 0 40 DEAB CO[C@H](CNS(=O)(=O)c1c(F)cccc1F)c1ccco1 206864239 DNXNASNSWUMCQL-GFCCVEGCSA-N 317.313 2.224 0 40 DEAB O=C(Cc1ccc(F)cc1)NC[C@@H](OCCO)c1ccsc1 575618745 BYYLJCPSHYDAJF-OAHLLOKOSA-N 323.389 2.296 0 40 DEAB Cn1nnnc1-c1cccc(NC(=O)NC2CCCCC2)c1 40104367 OEJJXRKEADGMSS-UHFFFAOYSA-N 300.366 2.331 0 40 DEAB CN(C)C(=O)N1CCN(C(=O)c2ccc3c(c2)CCCC3)CC1 31507268 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DHQZLYXYTVGLLU-ZIAGYGMSSA-N 322.792 2.449 0 40 DEAB CCOC(=O)NCC(=O)NCCc1ccc(C(C)(C)C)cc1 58136445 PAMDRLLTOWCWAC-UHFFFAOYSA-N 306.406 2.389 0 40 DEAB CC(C)Oc1ccccc1[C@@H](C)NC(=O)C1=NN(C)C(=O)CC1 44953604 JYWUBVXSKIJNFW-GFCCVEGCSA-N 317.389 2.259 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)NCc1cccnc1N(C)C 44954709 SSPAPQZYKUGDOG-GFCCVEGCSA-N 302.378 2.171 0 40 DEAB CCc1nnsc1C(=O)NC[C@H](O)c1cccc(Cl)c1 44919199 KZHGLXKJBRRAGS-NSHDSACASA-N 311.794 2.217 0 40 DEAB O=C(O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 3201599 KRYRINOVIRXGEB-UHFFFAOYSA-N 313.281 2.464 0 40 DEAB Cc1ccc(O)c(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c1 58392246 VELMPHPIQXYHCD-LLVKDONJSA-N 316.323 2.315 0 40 DEAB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(-n2ccnc2)cc1 58331277 XELONFLGZYXIHL-LSDHHAIUSA-N 322.416 2.461 0 40 DEAB CCOCCNC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 58357379 AYLIUUGYQKOAMG-OAHLLOKOSA-N 308.397 2.190 0 40 DEAB O=C(NCCn1nc(-c2ccccc2)ccc1=O)C1CCCC1 9660810 XACUIAMORSJVOS-UHFFFAOYSA-N 311.385 2.217 0 40 DEAB CCCS(=O)(=O)NCCCOc1cccc2cccnc12 58429527 QSCPIBJXOYCJCP-UHFFFAOYSA-N 308.403 2.333 0 40 DEAB C[C@H](O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 58421668 ANDBPDDMXYYUND-LBPRGKRZSA-N 309.362 2.402 0 40 DEAB Cc1cc(C)c(NC(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)c(C)c1 102235170 DQZFMEXFYVAOGQ-XUXIUFHCSA-N 301.342 2.205 0 40 DEAB CCc1nnsc1C(=O)N(C)Cc1ncc(C)c(OC)c1C 58958249 XWUIBEKCLCVUMW-UHFFFAOYSA-N 320.418 2.393 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 72235412 DEGRIIRLANNNRV-HUUCEWRRSA-N 306.410 2.018 0 40 DEAB Cc1ccc([C@@H](NC(=O)CN2CC(n3cccn3)C2)C2CC2)cc1 72267682 ACZGGFAHJNUKFH-LJQANCHMSA-N 324.428 2.316 0 40 DEAB CCN(CC)C(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 61341730 SLOIPRKLKJZKKE-UHFFFAOYSA-N 304.799 2.194 0 40 DEAB CC(C)CNC(=O)NC(=O)CN1CCC[C@@H]1c1ccccc1 10339972 OROMOKQPKSCGQG-OAHLLOKOSA-N 303.406 2.305 0 40 DEAB Nc1nnc(SCC(=O)NCc2ccccc2Cl)s1 3371174 HWUVSMMQGQBOHE-UHFFFAOYSA-N 314.823 2.182 0 40 DEAB O=C(NCc1ccccc1)c1ccc(CN2C(=O)CCC2=O)cc1 12937646 RBPHRRBUILITOK-UHFFFAOYSA-N 322.364 2.266 0 40 DEAB COC(=O)c1cccc(C(=O)Oc2ccc(C)cc2OC)n1 48882267 HSBCRISVZYGSOC-UHFFFAOYSA-N 301.298 2.404 0 40 DEAB CNC(=O)c1ccc(C)c(NC(=O)c2cnn(CC(C)C)c2)c1 96005582 HAKIWYNNAUQPEX-UHFFFAOYSA-N 314.389 2.459 0 40 DEAB CC(C)(O)CCN1CCO[C@H](c2noc(-c3ccccc3)n2)C1 96000272 GXTRSGFXTGPPOE-AWEZNQCLSA-N 317.389 2.271 0 40 DEAB Cc1c([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCCC2)cnn1C 71280138 RDYKHJYDMCQVJO-LLVKDONJSA-N 315.377 2.457 0 40 DEAB Cc1ccccc1C1(CNC(=O)[C@H](C)NC(N)=O)CCCCC1 65621788 CBOUGZXNJPYZQU-AWEZNQCLSA-N 317.433 2.370 0 40 DEAB Cc1ccc(CNC(=O)NCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 14302536 DEACHHWZXDMMAI-GOEBONIOSA-N 317.433 2.489 0 40 DEAB C[C@@H]1CCCC[C@]12NC(=O)N(C[C@@H](O)c1ccccc1)C2=O 14758155 HHVCQDHOXHDJFK-MRRJBJDNSA-N 302.374 2.221 0 40 DEAB O=C(COc1ccc(C(=O)N2CCCC2)cc1)NCC1CCC1 66469030 DPQZOGIIDFGDLN-UHFFFAOYSA-N 316.401 2.218 0 40 DEAB O=C(Cn1cncn1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 96420583 DZUNMNUOCQTBIA-LLVKDONJSA-N 318.686 2.351 0 40 DEAB CC1CCN(CCN2CCN(c3ncccc3F)CC2)CC1 90631583 IVSMCEHOUJVZQY-UHFFFAOYSA-N 306.429 2.075 0 40 DEAB Cc1cccc2nc(CN3CCCC[C@H]3Cn3cncn3)cn12 71876381 RQNVLWYBMFXQKZ-INIZCTEOSA-N 310.405 2.289 0 40 DEAB CNc1cc2c(nn1)CCN(C(=O)c1c(C)oc(C)c1C)C2 71860134 DCILXHZAWYLCDN-UHFFFAOYSA-N 300.362 2.235 0 40 DEAB COc1ccc(CC(=O)N2C[C@H](C)OC(C)(C)C2)c(OC)c1 71831138 OMYGDMIGJFIRPN-LBPRGKRZSA-N 307.390 2.272 0 40 DEAB CC(C)N(Cc1ccccn1)S(=O)(=O)N1CCCC[C@H]1C 70019208 GIUQVLGJZAQHSX-CQSZACIVSA-N 311.451 2.411 0 40 DEAB CON(C)C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F 69384080 PMSKVOLYQWPXLY-UHFFFAOYSA-N 318.230 2.059 0 40 DEAB CN1CCN(C(=O)COCC(F)(F)F)[C@@H](c2ccccc2)C1 69350420 SAQQAIBZJHQLSI-CYBMUJFWSA-N 316.323 2.081 0 40 DEAB C[C@H](NCc1nccn1CC(F)(F)F)[C@H](C)n1cccn1 69349667 PRNRJFJNXVZVKQ-QWRGUYRKSA-N 301.316 2.381 0 40 DEAB Cn1cc(Br)cc1C(=O)N1CCCC[C@@H]1CCN 70148932 DFAOYIJEJHUATE-LLVKDONJSA-N 314.227 2.131 0 40 DEAB O=C(O)C1CCN(C(=O)c2sccc2Br)CC1 70165464 HZFCQQMZOHRROO-UHFFFAOYSA-N 318.192 2.447 0 40 DEAB C[C@H](NC(=O)C(=O)Nc1cc(F)c(F)cc1F)c1cccnc1 69559665 SPAAITIQHOKECY-QMMMGPOBSA-N 323.274 2.315 0 40 DEAB CC(C)CN1CCC(C(=O)N2CCC[C@H]2c2cnn(C)c2)CC1 69632185 GVPNUJRGNBCIQZ-KRWDZBQOSA-N 318.465 2.452 0 40 DEAB O=C(CC1=CCCCC1)NC1CCN(C[C@@H]2CCOC2)CC1 71914476 HSAJOBQZGMCJRD-INIZCTEOSA-N 306.450 2.494 0 40 DEAB O=C(/C=C/c1ccco1)N[C@@H](Cn1cncn1)c1ccccc1 69744180 MJBHXUNGQDLNKX-FDMDGMSGSA-N 308.341 2.442 0 40 DEAB Cc1cc(CN2CCN(C[C@H](O)c3ccccc3)[C@H](C)C2)no1 69968756 XNEAUBIBRLOSRJ-KDOFPFPSSA-N 315.417 2.223 0 40 DEAB O=c1[nH]ncc(NCc2ccccc2Cn2cccn2)c1Cl 8751121 WAYJVQUSVIXTMC-UHFFFAOYSA-N 315.764 2.280 0 40 DEAB COCCC1(CNC(=O)Nc2nc3ccc(Cl)cn3n2)CC1 97376593 WQNGRNIAQIKZFF-UHFFFAOYSA-N 323.784 2.321 0 40 DEAB COc1cc(CCNC(=O)N[C@@H]2CCCC[C@@H]2CO)ccc1F 95460435 FSTGQUKXPLMJHZ-UKRRQHHQSA-N 324.396 2.227 0 40 DEAB Cc1ccc(C(=O)N2CCOC[C@@H]2c2ncon2)cc1Cl 95981331 UDIQCQMSWUGCIZ-GFCCVEGCSA-N 307.737 2.245 0 40 DEAB O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1cc(=O)[nH]c2ccccc12 95943273 WHAHGXRMRYDBHT-MLGOLLRUSA-N 312.369 2.216 0 40 DEAB COCCOCc1nc2sc3c(c2c(=O)[nH]1)CCCCC3 75078682 DHNBKTVJCVYTES-UHFFFAOYSA-N 308.403 2.417 0 40 DEAB Cc1ccc(C(=O)N(C)CCOc2ccc(Cl)cc2)c(=O)[nH]1 75118344 LBSHXBLKTQMUAG-UHFFFAOYSA-N 320.776 2.488 0 40 DEAB Cc1cc(C)c(CNC(=O)N[C@@H](C)c2ccc(C)o2)c(=O)[nH]1 75111102 VTIAOWZLOSMZRC-LBPRGKRZSA-N 303.362 2.454 0 40 DEAB C[C@H](CC(=O)Nc1cccc(F)c1)NCCCn1cccn1 89894550 PGQCHDIIMPWNHG-CYBMUJFWSA-N 304.369 2.419 0 40 DEAB COC(=O)[C@H](NC(=O)c1cncc(F)c1)c1ccc(F)cc1F 89874530 BJDAYCOOBUJWGL-CYBMUJFWSA-N 324.258 2.143 0 40 DEAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc2cc(C)ccn12 89949121 DIAAHGAMMMKHBH-WBVHZDCISA-N 314.433 2.379 0 40 DEAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cccc4[nH]ncc34)C2)n1 75602687 WVVZZKVLAWXLEH-CYBMUJFWSA-N 324.388 2.249 0 40 DEAB O=C(CCOc1cccc(Cl)c1)N1CC[C@](O)(C(F)F)C1 556675116 FXQHDAGVLFXPGQ-CQSZACIVSA-N 319.735 2.337 0 40 DEAB CCC(CC)C(=O)N[C@@H]1CCCC[C@@H]1n1cc(C(=O)O)nn1 1551454480 CKDAZTWMPFWIRQ-YPMHNXCESA-N 308.382 2.012 0 40 DEAB COc1ccccc1N1CCN(C(=O)NCC(F)(F)F)CC1 32863185 SZRAYDWDAWSJIC-UHFFFAOYSA-N 317.311 2.089 0 40 DEAB O=C(c1cccs1)N1CCC(c2ccnc3ncnn23)CC1 72334859 OOTFGLNUDNEYPK-UHFFFAOYSA-N 313.386 2.206 0 40 DEAB Cc1cncc(/C=C/C(=O)N2CCOC[C@H]2c2cccn2C)c1 127052323 WULLZUJKCDTZJC-RTRPANQVSA-N 311.385 2.342 0 40 DEAB COC(=O)N1CC[C@H](Nc2ccc(Br)cn2)C1 78407348 AIFYFFJFMXEGMJ-VIFPVBQESA-N 300.156 2.097 0 40 DEAB COC(=O)CCC(=O)N1CCCN(Cc2ccccc2)C[C@H]1C 76388658 RHAFLDPYFJSWFD-OAHLLOKOSA-N 318.417 2.063 0 40 DEAB Nc1ccccc1NC(=O)c1ccc(N2CCC(O)CC2)cc1 565835059 BZUQKEOBGGQIIB-UHFFFAOYSA-N 311.385 2.482 0 40 DEAB CCN(CC)C(=O)[C@H](C)S(=O)(=O)c1cccc(Cl)c1 78978922 CZHUOUMRUXBTQD-JTQLQIEISA-N 303.811 2.371 0 40 DEAB COc1ccccc1CCNC(=O)[C@@H]1CCc2[nH]c(C)nc2C1 225517229 UMXJVOIZGLNCIW-CQSZACIVSA-N 313.401 2.191 0 40 DEAB C[C@@](O)(CNC(=O)c1ccc2c(c1)OCO2)c1cccs1 75155859 TURUJKWHQYHKKA-OAHLLOKOSA-N 305.355 2.114 0 40 DEAB CN(C)C(=O)N1CCC(Nc2c[nH]nc2-c2ccccn2)CC1 132790147 PULUZOKGJLDXBP-UHFFFAOYSA-N 314.393 2.030 0 40 DEAB COc1ccc(CCNC(=S)Nc2cc(OC)ncn2)cc1 225182520 XQALYEHYYRCTEL-UHFFFAOYSA-N 318.402 2.023 0 40 DEAB CN(C)C[C@H]1CCN(C(=O)NC[C@@H]2CCc3ccccc3C2)C1 195570429 UNQDWFNBKNETHY-HZPDHXFCSA-N 315.461 2.385 0 40 DEAB O=C(NC[C@H]1CNCCCO1)C1(c2cccs2)CCCCC1 333599941 UYNCOBMDSRAWPW-CQSZACIVSA-N 322.474 2.445 0 40 DEAB Cc1cccc(NC(=O)c2cnn(C(C)(C)C)c2)c1C(N)=O 96413188 DBOYWYFLHYTNDP-UHFFFAOYSA-N 300.362 2.298 0 40 DEAB CN1C(=O)C[C@@H](NCc2ncc[nH]2)[C@@H]1c1ccc(Cl)cc1 92849536 SQCYJJALRZWHHS-DOMZBBRYSA-N 304.781 2.125 0 40 DEAB CC(C)N1CCOC[C@]2(CN(Cc3cccs3)CCO2)C1 96049715 QUIWMOYBSDKURI-INIZCTEOSA-N 310.463 2.060 0 40 DEAB Cc1nnc(CN2C[C@@H]3CCC[C@H](C2)N3C(=O)OC(C)(C)C)o1 97103515 ZZGLIWUCURJDNL-BETUJISGSA-N 322.409 2.352 0 40 DEAB Cc1nn(C)c2nc(N3CC[C@@]4(O)CCCC[C@H]4C3)sc12 96138885 HCBWJDQZSDDIFX-NHYWBVRUSA-N 306.435 2.470 0 40 DEAB COC(=O)C[C@H](c1ccc2nccnc2c1)c1c(O)n[nH]c1C 95473089 YJXMKZQOWLQRAZ-LLVKDONJSA-N 312.329 2.062 0 40 DEAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)c1cscn1)C2 96039352 RFRSRSPJGVEKRS-ZFWWWQNUSA-N 310.419 2.191 0 40 DEAB Cc1nc(-c2ccccc2NC(=O)N[C@]2(C)CCOC2)no1 95440634 IKCQFWHHIAJVPB-OAHLLOKOSA-N 302.334 2.346 0 40 DEAB CCS(=O)(=O)[C@@H](CO)[C@@H](N)c1ccc(-c2ccccc2)cc1 96525188 ZFXTZRAISOKMKA-IRXDYDNUSA-N 319.426 2.149 0 40 DEAB COC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCCn1ccnc1C 96461685 UKUQJVXJELDXBR-HUUCEWRRSA-N 321.421 2.210 0 40 DEAB CC[C@@]1(C)Oc2ccc(NC(=O)Cc3ccn(C)n3)cc2O1 97104349 IXHFZVVNAQJQJB-INIZCTEOSA-N 301.346 2.499 0 40 DEAB Cc1cccnc1[C@H](N[C@H](C)C(=O)NC[C@@H]1CCCO1)C(C)C 96424387 HAYMZDQLXWFTIF-OWCLPIDISA-N 319.449 2.360 0 40 DEAB O=C(c1ccccc1)N1C[C@@H](OCC2CC2)[C@H]2OCCC[C@H]21 97953782 QTURWZKQFDQJGU-ZACQAIPSSA-N 301.386 2.485 0 40 DEAB COC[C@]12CCCO[C@@H]1CCN(C(=O)Cc1ccsc1)C2 96039065 QPVMVWFTJXUYFT-GDBMZVCRSA-N 309.431 2.335 0 40 DEAB COC[C@@H]1C(=O)NCC12CCN(Cc1cccc(Cl)c1)CC2 96208341 SKZDXPPRXBWRQQ-OAHLLOKOSA-N 322.836 2.315 0 40 DEAB Cc1cccc([C@H]2CCCCN2C(=O)[C@@H](C)NC(N)=O)c1C 96431881 KVMNENJROWVKCH-UKRRQHHQSA-N 303.406 2.414 0 40 DEAB Cc1nnc(N2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@H]32)s1 96065413 DDKJREFFJFTFHB-RDBSUJKOSA-N 318.402 2.057 0 40 DEAB COc1cc(CNCc2cc(C(F)(F)F)nn2C)ccc1O 256050260 DIRAKQKNBMSCKB-UHFFFAOYSA-N 315.295 2.443 0 40 DEAB CC(C)(C)c1ccc(O)c(C(=O)N[C@@H]2CCCC[C@@H](O)[C@@H]2O)c1 257208641 BMZAOIFEZPOXHT-FVQBIDKESA-N 321.417 2.084 0 40 DEAB COCCN1CCC[C@H](c2cncc(-c3c(C)n[nH]c3C)n2)C1 257232301 GKGQZQUOFIWJFF-AWEZNQCLSA-N 315.421 2.309 0 40 DEAB CO[C@@H]1CC[C@@H](N(C)C(=O)c2ccc(OC(C)C)cc2)[C@H]1O 257214185 CKXSVTZLBNCJQC-BZUAXINKSA-N 307.390 2.084 0 40 DEAB C[C@@H]1CCCN([C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2=O)C1 253575452 UPPUPRYAOMKZAB-YGRLFVJLSA-N 308.328 2.329 0 40 DEAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2cccc3ncccc23)n1 257209936 BSMLZGBSJRTBNH-INIZCTEOSA-N 322.368 2.480 0 40 DEAB c1cncc(O[C@H]2CSC3(C2)CN(C2CCOCC2)C3)c1 585104380 HTBOOTQVRFHHPR-OAHLLOKOSA-N 306.431 2.199 0 40 DEAB C[C@@H](OCC(F)(F)F)C(=O)Nc1cccc(C(=O)N(C)C)c1 31717673 YZBXYKFCSFYEFF-SECBINFHSA-N 318.295 2.294 0 40 DEAB COc1ccnc(N2CCN(Cc3ccccc3Cl)CC2)n1 72031583 QKJNFEVWAMRDGA-UHFFFAOYSA-N 318.808 2.461 0 40 DEAB O=C(CCN1CCN(c2ccccc2)CC1)NC1CCCC1 46084075 NLLVCEQURIJDEL-UHFFFAOYSA-N 301.434 2.258 0 40 DEAB Cc1cc(C)n(-c2ccc(NC(=O)N3CCOCC3)cc2F)n1 47859070 ZTEROVBDNQGXQL-UHFFFAOYSA-N 318.352 2.492 0 40 DEAB CC(=O)N1CCC2(CC1)NC(=O)c1sc3ccccc3c1N2 78764847 PKFSZBKFBGGTGT-UHFFFAOYSA-N 315.398 2.395 0 40 DEAB C[C@@H](CNC(=O)N1CCc2ccc(Cl)cc2C1)[S@@](C)=O 90620487 LBYHLCHVIMJHTH-FVINQWEUSA-N 314.838 2.175 0 40 DEAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CCC[C@H](O)C1 97162046 IUQGYAKGERPISS-GJZGRUSLSA-N 318.417 2.281 0 40 DEAB Cc1[nH]ncc1C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C 96454421 HOZQWXDDILSELI-SUMWQHHRSA-N 312.417 2.359 0 40 DEAB C[C@]1(C(=O)O)CCN(C(=O)c2sccc2Br)C1 104286884 LJNYSWDUNGQIRQ-NSHDSACASA-N 318.192 2.447 0 40 DEAB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H]2C[C@H]2C)cc1 5693465 PSLJIMUYKCWVCQ-ISTVAULSSA-N 304.346 2.171 0 40 DEAB Cc1c(C)n(C[C@@H](O)CN2CCOCC2)c2ccc(F)cc12 12421998 TYMANHQCDNHPJC-HNNXBMFYSA-N 306.381 2.090 0 40 DEAB Cc1nc2ncn(-c3ccccc3)c2c(=O)n1-c1cccnc1 13207734 DNYKQUVOUPXEEA-UHFFFAOYSA-N 303.325 2.275 0 40 DEAB CC(C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 14829984 LABOLKJKPQBPLU-UHFFFAOYSA-N 310.419 2.456 0 40 DEAB Cc1ncsc1C(=O)N[C@H]1CC[C@H](Oc2cnccn2)CC1 245026694 NHAGEQOMLKSEQE-HAQNSBGRSA-N 318.402 2.362 0 40 DEAB O=C([C@H]1CCCN(c2ncccc2F)C1)N1CCSCC1 1889096015 DNQPAMWCTXJEBY-LBPRGKRZSA-N 309.410 2.013 0 40 DEAB C[C@H](c1ccccc1)N1CCN(c2ccc(N(C)C)nn2)CC1 1889119451 LWTSPYUWHMVTMH-OAHLLOKOSA-N 311.433 2.426 0 40 DEAB CSc1nnc(C)c(=O)n1COC(=O)c1ccc(C)c(C)c1 4495776 ITAQVGIGABANKK-UHFFFAOYSA-N 319.386 2.100 0 40 DEAB CNC(=O)C1(Nc2cccc(OC)c2)CCN(C(C)C)CC1 2055750782 XQCZFHANSJFJEU-UHFFFAOYSA-N 305.422 2.096 0 40 DEAB O=C1NCCN1C(=O)N1CCS[C@H](c2cccs2)CC1 219538450 MARYPPYSTRKGJP-NSHDSACASA-N 311.432 2.373 0 40 DEAB O=C(Cn1cccc1)N1CC[C@H](Oc2ccncc2Cl)C1 575610339 KGAATHAPRWRSHD-LBPRGKRZSA-N 305.765 2.216 0 40 DEAB CCN[C@@H](CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O 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301.350 2.335 0 40 DEAB Cc1cccc([C@H]2CCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)c1 56001247 DLVZVMSSRYZAOC-HUUCEWRRSA-N 307.415 2.093 0 40 DEAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)NCCc1ccccc1 100505750 FXAYKETVPJKOOZ-WYJHLCISSA-N 311.381 2.114 0 40 DEAB Cc1cc(F)c(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@H]2O3)cc1F 108110119 VLSFFIJJFGZWCP-GIPNMCIBSA-N 317.357 2.119 0 40 DEAB CC(=O)N1CCC(C(=O)OCc2ccc3c(c2)CCC3)CC1 95405050 PZOKXJOHKKNGCJ-UHFFFAOYSA-N 301.386 2.477 0 40 DEAB CCC(CC)NC(=O)CN1CCN(c2ccccc2F)CC1 57369345 NUBCYSMQCQMLGS-UHFFFAOYSA-N 307.413 2.253 0 40 DEAB CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC[C@@]1(O)CCOC1 108462219 NAKIHMOHGQIKJI-RYRKJORJSA-N 305.418 2.111 0 40 DEAB CN(Cc1csc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 26919901 HMBWXEWOFJBMNX-CQSZACIVSA-N 322.455 2.429 0 40 DEAB COc1cc2nc(CN(C(C)C)C3CC3)[nH]c(=O)c2cc1OC 26940913 GMQPSEVIZVFXPC-UHFFFAOYSA-N 317.389 2.313 0 40 DEAB COc1ccc([C@@H]2CCCN2C(=O)c2cnn(C)c2)c(OC)c1 44889106 KDBCSBTZKAHNRA-HNNXBMFYSA-N 315.373 2.415 0 40 DEAB 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CCn1cc(CCC(=O)NCc2ccccc2OC)c(C)n1 28576687 ZNLIZKSOWQMSME-UHFFFAOYSA-N 301.390 2.469 0 40 DEAB CC(C)c1nc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)cs1 95993361 IDFHIHIXIKNWEK-LBPRGKRZSA-N 320.414 2.306 0 40 DEAB CCCCn1nnnc1CN1CCC[C@H]1c1c(C)nn(C)c1C 72253558 WRTIFTIVDUSDHS-AWEZNQCLSA-N 317.441 2.161 0 40 DEAB COc1c([C@@H]2CCCN2C(=O)c2cc(C)on2)c(C)nn1C 72234266 FHOTYNYAQSLFOK-LBPRGKRZSA-N 304.350 2.011 0 40 DEAB CC(C)n1c(CCNC(=O)Nc2ccncc2)n[nH]c1=S 72289112 YWRVFHSDMMVZRP-UHFFFAOYSA-N 306.395 2.281 0 40 DEAB O=C(N[C@H]1CCc2nccn2C1)[C@H]1SCCc2ccccc21 72298532 PPSWOPUBJGEIEK-BBRMVZONSA-N 313.426 2.345 0 40 DEAB Cc1nnc(CN2CCC(CCN3C[C@@H](C)O[C@H](C)C3)CC2)o1 84291496 OCZIYLDMXKMFRL-ZIAGYGMSSA-N 322.453 2.089 0 40 DEAB CN1CCN(C)[C@H](CNCc2ccc(F)c(C(F)(F)F)c2)C1 95974516 PJGGDODQRCLYBN-GFCCVEGCSA-N 319.346 2.180 0 40 DEAB O=C(NC[C@@H]1CCCO1)[C@H]1CCCN1Cc1ccc(F)cc1 72310029 FTMSSTLGTGMNTJ-JKSUJKDBSA-N 306.381 2.085 0 40 DEAB Cc1nc2ccccc2n1CCn1c(-c2ccccn2)noc1=O 97230444 RIILTICYLOQFFF-UHFFFAOYSA-N 321.340 2.257 0 40 DEAB O=C(NCc1nc[nH]n1)c1cc(-c2ccccn2)ccc1Cl 95974545 JEVQKILZNSZLOE-UHFFFAOYSA-N 313.748 2.450 0 40 DEAB CN(C)C(=O)CN1CCc2cc(Br)cc(F)c21 89311967 SNWLLLCMHSFDEW-UHFFFAOYSA-N 301.159 2.039 0 40 DEAB COc1ccc(NC(=O)N2CCC(CCC(N)=O)CC2)cc1F 95454920 ZHNCHDZPPYRNAK-UHFFFAOYSA-N 323.368 2.344 0 40 DEAB COCc1nc(Cn2nc(C)c([C@H](C)C(=O)OC)c2C)cs1 95431603 GATLQQRQDPQWCI-VIFPVBQESA-N 323.418 2.428 0 40 DEAB Cc1cc(C)n(-c2cccc(NC(=O)c3nccnc3N)c2)n1 75471767 IUXMTYJKGIMPHV-UHFFFAOYSA-N 308.345 2.114 0 40 DEAB CCCc1nc(NC(=O)N[C@@H](C)Cn2cncn2)sc1CC 76082097 AHXKUIMMJCHZRF-JTQLQIEISA-N 322.438 2.460 0 40 DEAB O=C(Cc1c(F)cccc1F)N1CCC[C@@H](Cn2cncn2)C1 176425788 VLYZJRZENHMFFF-GFCCVEGCSA-N 320.343 2.038 0 40 DEAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1CCN(C)CC1 22030766 HDSXDWIYKQEUAP-JKSUJKDBSA-N 306.450 2.187 0 40 DEAB CCOC(=O)c1nnsc1NC(=O)Nc1ccccc1OC 33436159 FZBOWMIJUPIZML-UHFFFAOYSA-N 322.346 2.367 0 40 DEAB CC(=O)N1CCC[C@@H](Cc2cnc(Br)cn2)CC1 72343910 OAYNVLYGHMZMCW-LLVKDONJSA-N 312.211 2.430 0 40 DEAB C[C@@H](C(=O)NC(C)(C)C)S(=O)(=O)c1cccc(Cl)c1 78978932 JLPLYSDAANFKKT-VIFPVBQESA-N 303.811 2.417 0 40 DEAB O=C(OCc1ccccc1)N(C1CC1)[C@@H]1CCCN(CCO)C1 79411262 RVKFWGKRCHJUPE-QGZVFWFLSA-N 318.417 2.244 0 40 DEAB CNC(=O)CN(C(=O)c1cc(C(C)C)no1)c1cccc(F)c1 70840090 VLNGZDZLHDUUME-UHFFFAOYSA-N 319.336 2.330 0 40 DEAB O=C(NCCCO)Nc1cc(Br)c(F)cc1F 189138069 LNYMCCDRACDZBL-UHFFFAOYSA-N 309.110 2.231 0 40 DEAB O=C(c1ccccc1[C@H]1CCNC1)N1CCc2ncccc2C1 72130647 QSJRRKXTPAGMMG-AWEZNQCLSA-N 307.397 2.357 0 40 DEAB C[C@@H](CCc1ccccc1F)C(=O)N(C)[C@H]1CCN(C)C1=O 80399625 ZDVJWYCQJDPYPX-WFASDCNBSA-N 306.381 2.084 0 40 DEAB O=C(NCCNc1ncccn1)[C@H](c1ccccc1)n1cccc1 575443243 NYPYERPOWBYDCL-INIZCTEOSA-N 321.384 2.096 0 40 DEAB COC(=O)[C@@H]1CCC[C@H]1NCc1ccc(Br)o1 225396836 DFXWYUQMONTODO-NXEZZACHSA-N 302.168 2.473 0 40 DEAB O=C(c1ccncc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225683965 XUKXUTOUZZJFOT-SFHVURJKSA-N 307.397 2.354 0 40 DEAB Cc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccno3)C2)nc1 80926647 XRZYADYVAOHAFJ-CYBMUJFWSA-N 300.362 2.229 0 40 DEAB O=C(CN1CCC[C@H](O)C1)N(Cc1ccc(Cl)cc1)C1CC1 85332600 ACRKOXNJYAQVJP-INIZCTEOSA-N 322.836 2.288 0 40 DEAB CN(C)CCN(Cc1cccnc1)C(=O)/C=C/c1ccccn1 96405910 QNNZOZPVAVBMQN-CMDGGOBGSA-N 310.401 2.080 0 40 DEAB CCCCCC(=O)N1C[C@@H]2Oc3ccccc3C(=O)N(C)[C@@H]2C1 514288784 BSKLZGDGICFXLU-ZBFHGGJFSA-N 316.401 2.311 0 40 DEAB biogenic,in-vitro C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)Sc1ccccc1 96431697 MBVMHICCWCNLBK-LBPRGKRZSA-N 302.399 2.296 0 40 DEAB CCc1oc2ccccc2c1CN1CC[C@H](NS(C)(=O)=O)C1 93531059 NHWZBQPCRQAIGC-LBPRGKRZSA-N 322.430 2.119 0 40 DEAB Cc1nccn1-c1cncc(NC[C@@H](C)CN2CCCC2)n1 97104565 IRJISIMIUFKAQC-CYBMUJFWSA-N 300.410 2.115 0 40 DEAB c1cncc(CN2CCOC3(CCN(CC4CC4)CC3)C2)c1 96158807 CLJHYTRYCCHHDN-UHFFFAOYSA-N 301.434 2.158 0 40 DEAB CC(C)N1CCC(NCc2cn(C)nc2-c2ccncc2)CC1 97159772 QEJBYYSYWIHAHU-UHFFFAOYSA-N 313.449 2.445 0 40 DEAB Cc1nc(N)cc([C@@H]2CCCN2C(=O)c2n[nH]c3ccccc23)n1 257307930 TUTILIXOUQMESC-AWEZNQCLSA-N 322.372 2.221 0 40 DEAB CC(C)c1noc(CCC(=O)N2CCC[C@H]2c2cnccn2)n1 257216579 CVCYAYLMLXYUFN-ZDUSSCGKSA-N 315.377 2.279 0 40 DEAB C[C@H]1C[C@H](N2C(=O)[C@H]3CCCN3C2=O)CN1Cc1ccccc1 253428593 AUCMNQMYXWGBSZ-CWRNSKLLSA-N 313.401 2.076 0 40 DEAB CNc1cccc([C@H]2CN(Cc3c(C)nn(C)c3C)CCO2)n1 257207125 BGLMCRIZLCYEFA-MRXNPFEDSA-N 315.421 2.047 0 40 DEAB Nc1cc(N2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)ncn1 257298552 RMFLPQIIOFJPGT-AWEZNQCLSA-N 323.400 2.236 0 40 DEAB Cc1c[nH]c([C@@H]2CCN(Cc3cnn4c(C)cc(C)nc34)C2)n1 257253824 KAKANTGVCFMQIB-CQSZACIVSA-N 310.405 2.367 0 40 DEAB CC[C@]1(C)C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)O)CC1 263176537 LFECZIBKFNYBSS-VWPFQQQWSA-N 309.406 2.151 0 40 DEAB Cn1ncc(C(=O)NCc2csc(O)n2)c1-c1ccccc1 390833049 BDQNMZQYPRDYRB-UHFFFAOYSA-N 314.370 2.179 0 40 DEAB Cc1nccc(O[C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 575604689 CWUPXDVMTLADID-CYBMUJFWSA-N 317.414 2.459 0 40 DEAB Cc1ccccc1OC[C@@]1(O)COCCN(C2CCCC2)C1 585277820 YDUGWMUEWWWTNW-SFHVURJKSA-N 305.418 2.380 0 40 DEAB CNC(=O)C[C@@H]1CN(Cc2ccc(Cl)cc2)Cc2ccnn21 585111879 ICGCUXORRQLIJK-OAHLLOKOSA-N 318.808 2.230 0 40 DEAB CO[C@H](C)c1cccc(NC(=O)N[C@@H](C)Cn2cncn2)c1 72281299 KKJOSBIFISFKDX-NWDGAFQWSA-N 303.366 2.196 0 40 DEAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccc(=O)[nH]c1 75602167 JKUNENVEXLSISR-LLVKDONJSA-N 320.780 2.048 0 40 DEAB Cc1ccc(Cl)c2c1[C@@]1(NC(=O)c3cccnc3N1)C(=O)N2 89626894 RZIGCPCLUOCWBH-OAHLLOKOSA-N 314.732 2.004 0 40 DEAB CC(C)CS(=O)(=O)C1CN(C(=O)c2ccccc2Cl)C1 96380056 YZLCJNZTZOAACY-UHFFFAOYSA-N 315.822 2.235 0 40 DEAB Cc1cccc(OC[C@H](O)CN2C(=O)c3ccccc3C2=O)c1 140109 FWVCWIPBAOFBJP-CYBMUJFWSA-N 311.337 2.031 0 40 DEAB C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1cc(F)c(F)c(F)c1 95419609 MQBZUUKCAYIVPN-DTWKUNHWSA-N 307.337 2.189 0 40 DEAB COCCN1C(=O)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 8104435 OAOCZVWSOYAOSO-MDWZMJQESA-N 323.370 2.387 0 40 DEAB COc1cccc2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(=O)oc12 12417935 ITNPASBKYLRPNW-PHIMTYICSA-N 317.341 2.051 0 40 DEAB CCC[C@H]1NC(=O)N(CCOc2ccc(OCC)cc2)C1=O 14736871 PIYOMAGBSIKUIB-CQSZACIVSA-N 306.362 2.185 0 40 DEAB CCOc1ccc2nc(N3CCN(C(C)=O)CC3)sc2c1 5181156 NBMUSTOMKREGTJ-UHFFFAOYSA-N 305.403 2.364 0 40 DEAB CNC(=O)CCc1csc(NC(=O)NC2CCCCC2)n1 16849227 KCVVGRSGIWVQDX-UHFFFAOYSA-N 310.423 2.276 0 40 DEAB C[C@@]1(c2ccccc2)NC(=O)N(C[C@@H](O)c2ccccc2)C1=O 6949251 RQIPKOQBOGOTTP-QAPCUYQASA-N 310.353 2.187 0 40 DEAB CCC(=O)N1C[C@H]2CN(c3ccc(-c4ccccc4)nn3)C[C@@H]2C1 1888853065 BMTGKGVVYFZZAA-HZPDHXFCSA-N 322.412 2.448 0 40 DEAB CN(Cc1ccccc1)C(=O)N1CC[C@H](C(=O)O)C(F)(F)C1 289633130 IVNGIGUASFGSPT-GFCCVEGCSA-N 312.316 2.280 0 40 DEAB O=c1c2ccccc2nnn1COc1cccc2cccnc12 4745290 AYPQLBLRNWGFKD-UHFFFAOYSA-N 304.309 2.376 0 40 DEAB CN(C)Cc1noc2c1C[C@H](NC(=O)CC1CCCC1)CC2 2055730108 AYDIIAWBWWLOSX-CYBMUJFWSA-N 305.422 2.290 0 40 DEAB Cc1nn(C)c(C)c1C(=O)N1CCc2nc3ncccc3cc2C1 1889936794 UCCYBEZXLWUERP-UHFFFAOYSA-N 321.384 2.179 0 40 DEAB Cc1cc(OC2CN(C(=O)c3ccc4[nH]ccc4c3)C2)cc(=O)o1 206959659 LXERHIVXHCMYBQ-UHFFFAOYSA-N 324.336 2.333 0 40 DEAB CCc1cnc(N2CCN(Cc3ccncc3F)[C@H](C)C2)nc1 2298031815 XQXBQPBMRHQZBI-CYBMUJFWSA-N 315.396 2.284 0 40 DEAB O=C(O)c1cc(F)ccc1NS(=O)(=O)c1cccs1 21007701 HSNPMHHWJIJUPA-UHFFFAOYSA-N 301.320 2.386 0 40 DEAB COc1ccccc1NC(=O)NC[C@H](O)COc1ccccc1 31088466 UQUROGBRMXSBKB-ZDUSSCGKSA-N 316.357 2.257 0 40 DEAB CCOc1ccccc1NC(=O)NCC(C)(C)N1CCOCC1 40526316 DDTJRUOWUZIRHR-UHFFFAOYSA-N 321.421 2.318 0 40 DEAB O=C(O)CCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 259904 DIVDBLSWGCKPOP-UHFFFAOYSA-N 319.342 2.199 0 40 DEAB COc1ccccc1NC(=O)c1ccc(F)cc1-n1cnnn1 20730421 VLZZMYVZAKAYHJ-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB CC(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)on2)s1 32776790 NIQFIMFXBKQHRO-UHFFFAOYSA-N 308.315 2.043 0 40 DEAB C[C@H]1CN(C(=O)CCNc2cnc3ccccc3n2)C[C@H](C)O1 52445406 MYDUDTAEULHKCT-STQMWFEESA-N 314.389 2.068 0 40 DEAB Cc1ccc(-n2nnnc2SCC(=O)NC(C)(C)C)cc1C 413204 BDMCGNVQHPNSKR-UHFFFAOYSA-N 319.434 2.286 0 40 DEAB COC[C@@H](C)NC(=O)[C@@H]1CC(c2c(F)cccc2Cl)=NO1 814881 BISURCIVNPDBQB-PELKAZGASA-N 314.744 2.123 0 40 DEAB O=C(O)c1cccc(NC(=O)c2c[nH]c3ccccc3c2=O)c1 43510 KLZSWXRGJWXHSJ-UHFFFAOYSA-N 308.293 2.479 0 40 DEAB CC(=O)N1CCC(NC(=O)Nc2cccc3cnccc23)CC1 43162163 JSVNAFAZGOESLS-UHFFFAOYSA-N 312.373 2.367 0 40 DEAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccncc2)cc1 1272725 XOTAARBNIUWVFV-UHFFFAOYSA-N 317.370 2.009 0 40 DEAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1nccn2ccnc12 77977750 RLTZKNPVPAQNDU-UHFFFAOYSA-N 318.239 2.303 0 40 DEAB CC(=O)Nc1cccc2c1C(=O)N(c1cccc(C(=O)O)c1)C2=O 973372 QQMYIPHXPDUFEA-UHFFFAOYSA-N 324.292 2.144 0 40 DEAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n(C)n1 43432676 HPUDTRONQZWMGO-NSHDSACASA-N 316.361 2.382 0 40 DEAB O=C(NCC1(c2cccc(F)c2)CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105912 CFOFROBNDRLABS-RBSFLKMASA-N 304.365 2.476 0 40 DEAB O=C(NCC[C@@H]1CCCO1)c1ccc(-c2ccccc2)[nH]c1=O 75119207 WFEQSRFEWPMTPQ-AWEZNQCLSA-N 312.369 2.341 0 40 DEAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1cnccn1 75142625 UBNNOGYZOQZMBZ-YJBOKZPZSA-N 324.428 2.459 0 40 DEAB Cc1nc([C@H](NC(=O)Nc2cc(C)on2)c2ccccc2)n[nH]1 57882309 HADIBCJHVQHPOX-CYBMUJFWSA-N 312.333 2.321 0 40 DEAB Cc1cccnc1NC(=O)CCN1C(=O)COc2ccccc21 12514830 YSBSCAINPDZZOU-UHFFFAOYSA-N 311.341 2.144 0 40 DEAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c(=O)[nH]1 75118503 NZUNWDIWIZIHCF-CYBMUJFWSA-N 322.368 2.360 0 40 DEAB Cc1occc1C(=O)N1CCC(C(=O)NCc2ccco2)CC1 58157892 WRBPRJXDHNJVAG-UHFFFAOYSA-N 316.357 2.350 0 40 DEAB Cn1nc(NC(=O)COC2CCCCC2)cc1Br 89741085 SLCQSQRYYKSEHU-UHFFFAOYSA-N 316.199 2.470 0 40 DEAB Cc1ccccc1NC(=O)[C@H]1CC[C@H](C(F)(F)F)NC1=O 36394424 UJBYYEQHCLJSNR-MWLCHTKSSA-N 300.280 2.391 0 40 DEAB C[C@H](CNC(=O)NCc1cnn(C)c1)Sc1ccccc1 76085943 AYJLDYRPKUFOSI-GFCCVEGCSA-N 304.419 2.400 0 40 DEAB CCCOc1ccc(CNC(=O)N[C@@H](C)c2nncn2C)cc1 45879801 UHZUTVDEFBNDNB-LBPRGKRZSA-N 317.393 2.164 0 40 DEAB CS(=O)(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1 2778215 RDMPVMRYTDQMFC-UHFFFAOYSA-N 303.746 2.095 0 40 DEAB Cc1nc(-c2ccccc2)sc1NC(=O)[C@H]1CN(C)CCO1 96010748 XOTDDPVWKNXMRY-CYBMUJFWSA-N 317.414 2.388 0 40 DEAB CC(C)c1cc(C(=O)NCc2cccnc2-n2cccn2)n[nH]1 48278695 PDAMGYWZOYPQJB-UHFFFAOYSA-N 310.361 2.044 0 40 DEAB CC(C)N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 37994512 AOSCSCILLVZCSF-UHFFFAOYSA-N 307.371 2.324 0 40 DEAB CCN(CC)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1 3552469 HNRMHSIGVXBCJS-UHFFFAOYSA-N 312.435 2.245 0 40 DEAB COc1cc(C(=O)O)ccc1O[C@@H](C)C(=O)NC1CCCC1 13419921 ASGUKPPCFDOTOU-JTQLQIEISA-N 307.346 2.220 0 40 DEAB COCCS[C@H](C(N)=O)c1ccc(Br)cc1F 89420233 FVDVGCZZKPRKGH-JTQLQIEISA-N 322.199 2.494 0 40 DEAB COc1ccnc(N2CCC[C@@H](C(=O)Nc3ccccc3)C2)n1 14166596 QBKMDXNXXSPEHA-CYBMUJFWSA-N 312.373 2.340 0 40 DEAB CN(CC(=O)N1CCCC1)c1ncnc2c1oc1ccccc12 9482079 SJRZQTQECYHDIO-UHFFFAOYSA-N 310.357 2.435 0 40 DEAB CN(Cc1ccccc1)C(=O)CN1CCC[C@H]1c1cnn(C)c1 71797355 UPYRKSBUGXESOP-KRWDZBQOSA-N 312.417 2.216 0 40 DEAB NC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCOc1cccc(Cl)c1 75094438 MUBAVJHBGRGKQB-KGLIPLIRSA-N 324.808 2.269 0 40 DEAB Cc1ccc(NC(=O)C[S@](=O)Cc2c(C)noc2C)cc1 66298570 JLRYFZABFOCUSL-NRFANRHFSA-N 306.387 2.487 0 40 DEAB NC(=O)[C@H]1CCCN1Cc1csc(Nc2ccccc2)n1 66864127 HNYXVETTXRVVOH-CYBMUJFWSA-N 302.403 2.336 0 40 DEAB O=C(CN1CCN(c2ncccn2)CC1)c1ccc(Cl)cc1 67206235 RGIFAZYMTQHTDT-UHFFFAOYSA-N 316.792 2.135 0 40 DEAB CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(C)C)c1 90003297 PJQYUMJWGLHGDD-GFCCVEGCSA-N 312.435 2.499 0 40 DEAB Cc1ccccc1OC1CN(C(=O)CSc2ncccn2)C1 67678022 GHUNSKOACKIIFP-UHFFFAOYSA-N 315.398 2.167 0 40 DEAB CC1(C)C[C@@H](N[C@H]2CCCN(CC(F)(F)F)C2=O)C(C)(C)O1 90591500 AULWJRZDRPHQQV-WDEREUQCSA-N 322.371 2.475 0 40 DEAB COC[C@H]1CN(Cc2cc(F)cc(Br)c2)CCO1 83897995 GIJOUUIAHDYSLK-CYBMUJFWSA-N 318.186 2.435 0 40 DEAB O=C(NCCCOC[C@@H]1CCOC1)[C@H]1Cc2ccccc2S1 71920705 YTHBORDHAQCSRA-XJKSGUPXSA-N 321.442 2.263 0 40 DEAB NCCc1nc(C(=O)N[C@@H]2CCCc3ccccc32)cs1 90947602 IONCEQNERUVFFI-CYBMUJFWSA-N 301.415 2.452 0 40 DEAB CCN(CC)C(=O)COc1ccc2c(CC(=O)O)coc2c1 7990074 JANPHJVRKBMGLO-UHFFFAOYSA-N 305.330 2.307 0 40 DEAB CC(C)c1noc(CCNC(=O)NCCc2ccccc2F)n1 69039474 YBCHWYAXRGZPLD-UHFFFAOYSA-N 320.368 2.417 0 40 DEAB CC(=O)c1ccc(CNC(=O)c2cnc(N)c(Cl)c2)nc1C 95977912 DCXZKJIEDIOHLR-UHFFFAOYSA-N 318.764 2.153 0 40 DEAB CCN(CC)S(=O)(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 95993953 MCWGSAKSUACHPG-OAHLLOKOSA-N 324.446 2.310 0 40 DEAB CN(c1ccccc1C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2)S(C)(=O)=O 409332443 QPEFEBHWRWEHIR-SGMGOOAPSA-N 322.430 2.001 0 40 DEAB C[C@@H](NC(=O)c1n[nH]c(=O)[nH]1)c1ccc(Oc2ccccc2)cc1 69568827 QPTVCMSLZKLQPX-LLVKDONJSA-N 324.340 2.381 0 40 DEAB Cc1ccsc1-c1cccc(NC(=O)c2nc(=O)[nH][nH]2)c1 69631198 GLCGCHAMMSKTKS-UHFFFAOYSA-N 300.343 2.387 0 40 DEAB Cc1ccc([C@@H](C)NC(=O)NCC(=O)NCC2CC2)cc1F 97048294 NIZAXJSWWYYDNA-LLVKDONJSA-N 307.369 2.021 0 40 DEAB Cc1ccc(CNC(=O)N[C@H]2CCN(c3ccccc3)C2)cn1 72270099 QWCHNMWYYKRPTK-INIZCTEOSA-N 310.401 2.468 0 40 DEAB CSCCCC(=O)OCC(=O)N(C)Cc1ccccc1F 72293173 YJXMXZULXJPYCJ-UHFFFAOYSA-N 313.394 2.471 0 40 DEAB CCc1nnc(CN2CCC[C@@H]2c2c(C)nn(C)c2OC)o1 72253719 GNAQJSCVLXCNRQ-LLVKDONJSA-N 305.382 2.020 0 40 DEAB Cc1cc(C)c(C(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)o1 95980308 IWAGXCYGNJFULX-CYBMUJFWSA-N 303.362 2.450 0 40 DEAB CCn1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C(C)C)c(C)n1 71282779 NRFSYPYHZANDSQ-JTQLQIEISA-N 303.366 2.406 0 40 DEAB Fc1cccc(-n2nnnc2SCCCn2ccnc2)c1 97114207 ZUUGWFRDXZWPKH-UHFFFAOYSA-N 304.354 2.180 0 40 DEAB CNC(=O)c1sc([C@H](C)CNC(=O)c2ccccc2)nc1C 97139600 DZEAPKZKNVWRJQ-SNVBAGLBSA-N 317.414 2.345 0 40 DEAB C[C@@H](NCc1nnc(C2CC2)o1)c1cn(-c2ccccc2)nn1 97374659 NSZUHRFEGXWOSS-LLVKDONJSA-N 310.361 2.379 0 40 DEAB O=S(=O)([C@@H]1CCOC1)N1CCC[C@@H]1CCc1ccccc1 95398584 FSBOOGCLIRLBKS-HZPDHXFCSA-N 309.431 2.202 0 40 DEAB O=C(Cc1csc(-c2ncccn2)n1)OC[C@H]1CCCCO1 84614846 GSOPQSSKFURAAD-GFCCVEGCSA-N 319.386 2.255 0 40 DEAB CCc1cnccc1CNS(=O)(=O)c1ccc(OC)cc1 95466074 WNJYRTDKAFMYBI-UHFFFAOYSA-N 306.387 2.131 0 40 DEAB O=S(=O)(Cc1ncc(-c2cccc(Cl)c2)o1)c1nc[nH]n1 86169858 RYCYJDVEPJEYHM-UHFFFAOYSA-N 324.749 2.087 0 40 DEAB Cn1cnnc1CCNC(=O)CCc1ccc2ccccc2c1 75137456 WFWRSEFZEFJMIO-UHFFFAOYSA-N 308.385 2.260 0 40 DEAB Cn1ccc(-c2cc(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)n[nH]2)c1 553556336 JAGMMSYVZOTBNM-BBRMVZONSA-N 314.389 2.103 0 40 DEAB CN(C(=O)OCc1ccccc1)[C@H]1CCCC[C@H]1NCC(=O)O 79413743 BBCAOOTWYZVDKY-CABCVRRESA-N 320.389 2.240 0 40 DEAB O=C(Nc1cccnc1)N[C@H]1CCCN(c2ccccc2)C1=O 79349157 ZPRZNERRDXXPSX-HNNXBMFYSA-N 310.357 2.399 0 40 DEAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)NCCCS(C)(=O)=O)cc1 76960806 FWKIXNIXVOZWIN-JKSUJKDBSA-N 323.458 2.464 0 40 DEAB COc1ccccc1[C@H](C)N1CCN(CCn2cccn2)CC1 69875456 QHOZTWQEIXMPQE-INIZCTEOSA-N 314.433 2.271 0 40 DEAB O=C(CNCC(F)(F)F)N[C@@H]1C[C@H]1c1cccc(Cl)c1 77141236 QVOSIWDSXQFHBE-WDEREUQCSA-N 306.715 2.464 0 40 DEAB CC(C)CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 39974983 ZWMYJTDKZGIISX-UHFFFAOYSA-N 316.854 2.302 0 40 DEAB COCCn1cc(C(=O)Nc2cccnc2)c2ccccc2c1=O 71287719 NDOIWXNWOHQNBD-UHFFFAOYSA-N 323.352 2.295 0 40 DEAB CC(C)(C)c1ccccc1NC(=O)C(=O)NC[C@@H]1CCCO1 42646526 JJAIYZDHHLULAT-LBPRGKRZSA-N 304.390 2.218 0 40 DEAB CCC(=O)NCCN1C(=O)S/C(=C/c2cccs2)C1=O 49951269 BLTZDPOWPWPUBU-CSKARUKUSA-N 310.400 2.311 0 40 DEAB O=C(NC[C@](O)(c1ccco1)C1CC1)c1ccc2c(c1)OCO2 75154884 PBBWNHUKLKHUGW-QGZVFWFLSA-N 315.325 2.036 0 40 DEAB COC(=O)C1CCN(C(=O)COc2ccc(C)cc2C)CC1 44865616 WRGNIMMEJBHOOO-UHFFFAOYSA-N 305.374 2.094 0 40 DEAB Cc1ccc(S(=O)(=O)NCCn2ccnc2C2CC2)cc1C 225568287 JWAWVSUCDQVARS-UHFFFAOYSA-N 319.430 2.356 0 40 DEAB CCOC(=O)c1cc(C(C)=O)nn(-c2cccc(Cl)c2)c1=O 225967167 OVCICRMIKNZWAI-UHFFFAOYSA-N 320.732 2.265 0 40 DEAB Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)nn1 572221979 CRUPKYCFIIJBBC-GFCCVEGCSA-N 316.336 2.003 0 40 DEAB O=C(c1ccc(O)cc1F)N1CCC([C@@H](O)C(F)(F)F)CC1 195569768 TUONMTDMLGRUKK-GFCCVEGCSA-N 321.270 2.307 0 40 DEAB Cc1ccc(-c2nc(C(=O)NS(C)(=O)=O)cs2)c(C)c1 49501126 QILXESWABSOIAS-UHFFFAOYSA-N 310.400 2.116 0 40 DEAB COc1cc(NC(=O)c2ccccc2F)ccc1-n1cnnn1 40284369 ABONUUADSKHWPP-UHFFFAOYSA-N 313.292 2.062 0 40 DEAB Cc1ccc(N2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3=O)nn1 91985930 OOQSSANVBLGMNG-DLBZAZTESA-N 322.412 2.412 0 40 DEAB O=C(c1cccnc1)N1CCC[C@]2(CCN(c3ncccn3)C2)C1 96158154 HZBLUQXIISSYPW-SFHVURJKSA-N 323.400 2.004 0 40 DEAB COc1ncc(Cl)c(NCc2ccc([S@@](C)=O)cc2)n1 95426321 CPNLOWBQXQOBAE-FQEVSTJZSA-N 311.794 2.488 0 40 DEAB c1cncc(CO[C@@H]2C[C@@H]3CN(Cc4ccco4)CCN3C2)c1 96055019 ADWRFSHBGVCHRA-SJLPKXTDSA-N 313.401 2.150 0 40 DEAB Cc1noc(C)c1CN1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107707 UWOUWXSKVOBCCZ-WBVHZDCISA-N 306.406 2.451 0 40 DEAB CCO[C@@H]1C[C@H](N(C)C(=O)c2c(C)nn3cccnc23)C1(C)C 96419319 PUQHWDWUZMOWKJ-QWHCGFSZSA-N 316.405 2.313 0 40 DEAB Cn1cccc1C(=O)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1 96238430 HPTCGGGNZGFKAX-LJQANCHMSA-N 323.396 2.294 0 40 DEAB COc1cccc2occ(I)c(=O)c12 96300568 RYDDDSRWAQSTJD-UHFFFAOYSA-N 302.067 2.406 0 40 DEAB CC(C)N1C[C@H](C(=O)N[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1=O 241946715 UNJIUDSMDZMRPZ-VJQRDGCPSA-N 304.434 2.184 0 40 DEAB Nc1cc(CC[C@H]2CN(Cc3ccc(F)cn3)CCO2)ccn1 257315854 VDAAUGZPULNTJN-INIZCTEOSA-N 316.380 2.032 0 40 DEAB CC(C)(C)OC(=O)NCc1cn(Cc2ccccc2F)nn1 864633851 FGWNRHNKRMLOPG-UHFFFAOYSA-N 306.341 2.490 0 40 DEAB CCO[C@@H]1CN(C(=O)CCc2ccccc2)Cc2ccnn2C1 253380391 AKKPEXPYXDRKNE-QGZVFWFLSA-N 313.401 2.263 0 40 DEAB COCC(=O)N1CC[C@@H]2O[C@@](C)(COc3ccccc3)C[C@@H]2C1 257339153 ZAKJKQAZKYHIJW-UWWQBHOKSA-N 319.401 2.108 0 40 DEAB Cc1nc2ccc(C(=O)N3CCO[C@H](c4ccncc4)C3)cc2[nH]1 257282816 OVKIIKBCRSKNAY-KRWDZBQOSA-N 322.368 2.480 0 40 DEAB Cc1c(C(=O)N2CC[C@H](c3ncon3)C2)cnn1-c1ccccc1 253472349 LMBPDPBXDUWMMU-ZDUSSCGKSA-N 323.356 2.193 0 40 DEAB Cn1nnc2c1C[C@H](C(=O)N1CCC=C(c3ccccc3)C1)CC2 291137495 WCVKTWRHEQIMAC-OAHLLOKOSA-N 322.412 2.236 0 40 DEAB CN(CC(=O)N(C)c1ccccc1)C[C@H](O)c1ccc(F)cc1 69582425 WDWXKGPMVPRITQ-KRWDZBQOSA-N 316.376 2.454 0 40 DEAB C[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc3c2c(O)nn3C)C1 31809996 UNISDGSZYVVCRL-SNVBAGLBSA-N 314.389 2.423 0 40 DEAB COc1ccccc1C(=O)COc1ccc(S(C)(=O)=O)cc1 44203669 MQRWBQKVLPGJJM-UHFFFAOYSA-N 320.366 2.360 0 40 DEAB NC(=O)CC1CCN(C(=O)Cc2ccc3c(c2)CCCC3)CC1 49394209 IRQZDUKBKOJDRQ-UHFFFAOYSA-N 314.429 2.222 0 40 DEAB COc1ccc(O)c(C(=O)NC[C@H](O)c2ccc(F)cc2F)c1 78684058 PATKSLLMPDTUFF-HNNXBMFYSA-N 323.295 2.142 0 40 DEAB CCCCN(CC)C(=O)c1ccc(S(=O)(=O)NCC)cc1 14247679 CXCMUBMXMDUDLM-UHFFFAOYSA-N 312.435 2.247 0 40 DEAB COC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)Oc1ccccc1N 1857793301 MIEDFDHUVAWYLY-MFKMUULPSA-N 324.377 2.102 0 40 DEAB C[C@]12C(=O)c3ccccc3NC(=O)[C@H]1[C@H]2C(=O)N1CCCCC1 19576144 ORWKASYBLGWKDM-GLJUWKHASA-N 312.369 2.086 0 40 DEAB COc1cccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)c1O 8272336 GHXDOGUSQYBWGD-POHAHGRESA-N 307.331 2.045 0 40 DEAB O=C(N1CC[C@H](n2nccn2)C1)C12CC3CC(CC(C3)C1)C2 240067773 SAWRHYCGJFVJSK-RDVIWEACSA-N 300.406 2.268 0 40 DEAB O[C@H](COC1CCCC1)CN1CCN(c2ccccc2F)CC1 12419961 CIQHNDKBUCGGEP-HNNXBMFYSA-N 322.424 2.268 0 40 DEAB COC(CN(C)C(=O)c1cc(-c2ccc(C)cc2)[nH]n1)OC 1889031980 IKMBDHJQBTWVQK-UHFFFAOYSA-N 303.362 2.076 0 40 DEAB O=C(O)c1ccc2c(c1)CCN2S(=O)(=O)c1cccs1 13278378 VJSYFFDAWCSKDJ-UHFFFAOYSA-N 309.368 2.198 0 40 DEAB O=C(Cc1cccs1)NCc1ccnc(N2CCCC2=O)c1 575618786 JBADPOCCTQXYNV-UHFFFAOYSA-N 315.398 2.129 0 40 DEAB Cc1c(Cl)cccc1NC(=O)C(=O)NC[C@@]1(O)C=CCCC1 585146603 APTRKDGZAAJDAH-MRXNPFEDSA-N 322.792 2.174 0 40 DEAB Cc1nc(CCNC(=O)c2cccnc2N2CCCC2)cs1 40489819 RXIKSVHREIKREQ-UHFFFAOYSA-N 316.430 2.419 0 40 DEAB CN(CCOc1cccc(F)c1)c1ncnc2c1cnn2C 52458027 IOKWIAKOOIZUAB-UHFFFAOYSA-N 301.325 2.018 0 40 DEAB COc1cc(Cl)ccc1S(=O)(=O)n1nc(C)cc1C 270278 RFURSCHTKNKSJV-UHFFFAOYSA-N 300.767 2.399 0 40 DEAB C[C@H]1CN(C(C)(C)CNC(=O)c2ccccc2F)C[C@@H](C)O1 21055133 YDCUGGFPZRJTDI-BETUJISGSA-N 308.397 2.443 0 40 DEAB C[C@@H]1C(=O)N(CC(=O)OC(C)(C)C)C(=O)N1c1ccc(F)cc1 21267951 JIYAAEVPEJENQF-SNVBAGLBSA-N 322.336 2.325 0 40 DEAB COc1ccccc1N1CCN(c2nccnc2Cl)CC1 32951440 ROGIELFBNVKJSG-UHFFFAOYSA-N 304.781 2.465 0 40 DEAB Cc1cnc(NC(=O)c2ccccc2NS(C)(=O)=O)s1 32904485 UKWNKVMXMUKNOK-UHFFFAOYSA-N 311.388 2.075 0 40 DEAB Cc1c(Cl)cccc1NC(=O)CSc1nc(N)cc(N)n1 422140 BZESAOQBCLQZNC-UHFFFAOYSA-N 323.809 2.334 0 40 DEAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1ccc2c(c1)OCO2 106136179 UGQVJTIKUXFGOB-OLZOCXBDSA-N 304.390 2.266 0 40 DEAB CC(C)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 106517120 KAOWURKSHPHOFQ-IRXDYDNUSA-N 302.418 2.403 0 40 DEAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H](C)Cn1cccn1 78771229 JNDQDKUJTOJAKW-IUODEOHRSA-N 315.421 2.233 0 40 DEAB N[C@@H]1CC=C(COC(=O)[C@](O)(c2ccccc2)C2CC2)CC1 1641830 NVDXAHVZTJDPLS-AEFFLSMTSA-N 301.386 2.265 0 40 DEAB COc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(C)=O 2043930 CSYGAHOOYZOKHK-INIZCTEOSA-N 312.369 2.381 0 40 DEAB CC(C)COC1CCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 55912425 GSVVQTCOMBGXED-UHFFFAOYSA-N 312.797 2.306 0 40 DEAB Cc1nc([C@H]2CCCN2C[C@@H](O)COCc2cccs2)no1 108073059 UXNVAXUEQZHDKV-TZMCWYRMSA-N 323.418 2.154 0 40 DEAB O=C1CCCN1c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 7612463 JHTJNLCVHDHIGM-AWEZNQCLSA-N 319.430 2.279 0 40 DEAB C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)c1nc(C2CC2)no1 95409396 GXPASJUKHRTSMO-JTQLQIEISA-N 321.402 2.349 0 40 DEAB COC(=O)c1ccc(CNc2cncc(-n3cccn3)n2)cc1 57997468 RMRJEEQBBSAESC-UHFFFAOYSA-N 309.329 2.061 0 40 DEAB CCCCNC(=O)Nc1cc(-c2ccccc2)nn1CCO 57993596 XWWYFKYFISMWOS-UHFFFAOYSA-N 302.378 2.464 0 40 DEAB O=C(NCc1ccccc1F)c1cn(Cc2ccccc2)nn1 44895635 NJPFBKOCIVEPKL-UHFFFAOYSA-N 310.332 2.396 0 40 DEAB CCOC(=O)N1CCC(NC(=O)[C@@]2(C)CC2(Cl)Cl)CC1 44867140 UEERUKCZINOZKW-GFCCVEGCSA-N 323.220 2.307 0 40 DEAB O=C(NCC(=O)N1CCC[C@@H]1C1CCCC1)NCc1ccco1 58229959 SNTNCCMJRAPOJG-OAHLLOKOSA-N 319.405 2.260 0 40 DEAB CCCCN1C(=O)/C(=C/c2ccc(C(=O)O)cc2)NC1=S 101400676 UOYIEYLJYIYBFS-XFXZXTDPSA-N 304.371 2.243 0 40 DEAB COc1ccccc1[C@H](C)N(C)C(=O)CN1CCSC1=O 44909048 UFQQPQAEILVDDN-NSHDSACASA-N 308.403 2.383 0 40 DEAB CCOC(=O)CCN(Cc1cccnc1)C(=O)c1ccncc1 58331666 ZSQHYPZFTVZAPF-UHFFFAOYSA-N 313.357 2.072 0 40 DEAB CN(C)S(=O)(=O)N[C@H](Cc1ccccc1)c1ccccc1 27976771 VNWVNZIWYTXDLB-MRXNPFEDSA-N 304.415 2.366 0 40 DEAB C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2Cl)[C@@H](C)CO1 28057776 QYHLYYIOZYUDQZ-IUCAKERBSA-N 307.774 2.277 0 40 DEAB CN(C)[C@@H](CNC(=O)c1cccnc1S)c1ccsc1 25331885 XHXSWPHKPMSGST-LBPRGKRZSA-N 307.444 2.465 0 40 DEAB COCCNc1ccccc1CNC(=O)Nc1cc(C)on1 72306217 LLGHAXOOJPISDG-UHFFFAOYSA-N 304.350 2.363 0 40 DEAB O=C([C@@H]1CC(=O)N(C2CC2)C1)N1CCC(c2ccccc2)CC1 46735981 NLKDIXNNNRBXNY-MRXNPFEDSA-N 312.413 2.404 0 40 DEAB O=C(CCC(=O)N1CCC[C@@H]1c1ccsc1)N1CCOCC1 46913970 SJMBUEOQOLEETG-CQSZACIVSA-N 322.430 2.051 0 40 DEAB COc1cc(CO)cc(Cl)c1OCC(=O)N1CCCCC1 20377263 CETJZOQCRXCTAY-UHFFFAOYSA-N 313.781 2.232 0 40 DEAB COc1ccc(Cl)cc1N1C(=O)C[C@H](N2CCCCC2)C1=O 3324937 ODGUEZJYWTUGOJ-ZDUSSCGKSA-N 322.792 2.466 0 40 DEAB c1cc2c(cc1[C@@H]1CCCN1c1ccc3nncn3n1)OCCO2 48345585 AGUMNCNLAGKQEE-ZDUSSCGKSA-N 323.356 2.237 0 40 DEAB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCOCC1 23750074 GZHKWZQZXHONPS-SNVBAGLBSA-N 302.296 2.365 0 40 DEAB O=C(c1ccccc1)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12866092 YFEUOKRSBOGECW-OAHLLOKOSA-N 307.415 2.259 0 40 DEAB COC(=O)[C@@H]1CN(C(=O)Cc2cccs2)c2ccccc2O1 69614716 HSMUCUWKUDGKPG-AWEZNQCLSA-N 317.366 2.258 0 40 DEAB CN(c1c2c(nn1C)CCCC2)S(=O)(=O)c1ccccc1 4001847 XPUFVYQEHPJABY-UHFFFAOYSA-N 305.403 2.124 0 40 DEAB Cc1csc(CNC(=O)N2CCC[C@@H](N3CCCC3)C2)n1 65437745 YJAREXOLJSQXJG-CYBMUJFWSA-N 308.451 2.221 0 40 DEAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCO[C@@H](C)C1 14071089 YVLCMEDAHBMREU-WDEREUQCSA-N 312.797 2.396 0 40 DEAB COCCCCNC(=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 65591342 KYSDDTFMHWCYHU-CQSZACIVSA-N 323.412 2.378 0 40 DEAB CCCCS(=O)(=O)N[C@H](C)c1cc(OC)ccc1OC 14234060 LCRCNPZDHGIHJR-LLVKDONJSA-N 301.408 2.484 0 40 DEAB COCCCN1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 4648666 DVCLLUQBBNTUFP-UKTHLTGXSA-N 323.370 2.474 0 40 DEAB Cc1cnc(NC(=O)CCNC(=O)NC2CCCCC2)s1 14900132 SYUHAPSDZIITAG-UHFFFAOYSA-N 310.423 2.412 0 40 DEAB CCCCOc1cccc(CNC(=O)[C@@H]2COCCN2CC)c1 95453110 ODGJYYNYRHLTLJ-KRWDZBQOSA-N 320.433 2.202 0 40 DEAB Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)cnn1-c1ccccc1 96402352 RBLHPUMVDHOFCQ-ZDUSSCGKSA-N 313.357 2.118 0 40 DEAB Cc1ccc(N2CCC[C@@H](N(C)Cc3nc(C)c(C)o3)C2)nn1 71859823 JWDIMOSYFJHLKH-OAHLLOKOSA-N 315.421 2.491 0 40 DEAB O=C(c1ccc(NC2CC2)nc1)N1CCC[C@H]1Cn1cccn1 71866627 MNLVHHVGOBEGHY-HNNXBMFYSA-N 311.389 2.157 0 40 DEAB O=C(c1cc2ccccc2[nH]c1=O)N1CCO[C@H]2CCCC[C@H]21 71821207 QYWVXYORPIVPPG-CVEARBPZSA-N 312.369 2.312 0 40 DEAB NC(=O)c1oc2ccccc2c1NS(=O)(=O)c1ccccc1 7727517 JSXFMGYFZBEVGT-UHFFFAOYSA-N 316.338 2.333 0 40 DEAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1CCS(=O)(=O)C1 69187310 UNVSPIKVAIZDGT-AAVRWANBSA-N 302.436 2.425 0 40 DEAB O=C(NC1CCCCCC1)[C@H](Cc1ccccc1)n1cnnn1 8312785 IUUIRWWVUFVENR-INIZCTEOSA-N 313.405 2.296 0 40 DEAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(-n2cncn2)cc1 8424756 GFPPKDLSJPNDGD-UHFFFAOYSA-N 304.313 2.396 0 40 DEAB CC[C@H]1CN(c2ccc(S(=O)(=O)NC)cc2F)CCS1 95454055 HKDREEBKTBCVOR-JTQLQIEISA-N 318.439 2.066 0 40 DEAB CCCNC(=O)[C@@H](C)NC(=O)c1ccc2cc(OC)ccc2c1 8750237 FXQKYWSDNDYGOF-GFCCVEGCSA-N 314.385 2.493 0 40 DEAB COc1ncccc1N(C)C(=O)c1ccc(-c2ncn(C)n2)cc1 97054467 NKGWBEOYMZHBMK-UHFFFAOYSA-N 323.356 2.162 0 40 DEAB CCO[C@H](C)c1nc(Cn2nc3ccccn3c2=O)cs1 72292674 VNDFKCSFFRGVFP-SNVBAGLBSA-N 304.375 2.098 0 40 DEAB CN(C[C@@H](O)C1CC1)C(=O)N[C@H]1CCCN(C2CCCCC2)C1 95411282 QEEGTXKOYZJNTH-DOTOQJQBSA-N 323.481 2.196 0 40 DEAB Cc1noc(C)c1N(C)C(=O)C(=O)Nc1cccc(F)c1F 97117624 VWEPBOBQGMFKKZ-UHFFFAOYSA-N 309.272 2.171 0 40 DEAB CC(C)n1nnnc1CN[C@H](C)c1ccc(-n2cccn2)cc1 95985721 INWLXKLYOLXCFG-CYBMUJFWSA-N 311.393 2.291 0 40 DEAB CC[C@@H](C)CS(=O)(=O)Nc1cccc(N2CCOCC2)c1 95982063 YGWBXXLEZBMVHV-CYBMUJFWSA-N 312.435 2.311 0 40 DEAB O=C1C[C@H](CNS(=O)(=O)c2cccs2)c2ccccc2N1 75103638 BDRPOOYOSPDLJT-SNVBAGLBSA-N 322.411 2.152 0 40 DEAB Cn1ccnc1CN1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 89661823 ZYCLSORSUDQSHA-KGLIPLIRSA-N 320.437 2.394 0 40 DEAB Cc1nc([C@H]2CCCN2Cc2cccc(C(=O)N(C)C)c2)no1 75573123 HZVWXWOEACTDLU-OAHLLOKOSA-N 314.389 2.417 0 40 DEAB Cc1nc(CNC(=O)NCCC(=O)NC2CCCC2)sc1C 76086284 UCZOYHJMXHVQGH-UHFFFAOYSA-N 324.450 2.008 0 40 DEAB Cn1cccc1[C@H]1CCCN1C(=O)CS(=O)(=O)C1CCCC1 76401276 AWASLSGIIPVMGR-OAHLLOKOSA-N 324.446 2.046 0 40 DEAB COC[C@@H](C)NC(=O)c1cnc(SC)n1-c1ccccc1 24579413 BWCHZHZEZXPRHC-LLVKDONJSA-N 305.403 2.359 0 40 DEAB O=C(CN1C(=O)S/C(=C\c2ccoc2)C1=O)N1CCCCC1 409369744 FTJMPDKLKPWQNS-WQLSENKSSA-N 320.370 2.328 0 40 DEAB CC(C)c1cc(=O)n(CC(=O)NCc2ccc(Cl)cc2)cn1 38510059 XAICNJXPFOXEBL-UHFFFAOYSA-N 319.792 2.337 0 40 DEAB CC(C)(C)c1cc(CC2(NCc3ccc(CO)o3)COC2)no1 67897845 MUZMUEDCVCQQFI-UHFFFAOYSA-N 320.389 2.159 0 40 DEAB biogenic,in-vitro O=C([C@@H]1CCCc2nc[nH]c21)N1C[C@H](O)C[C@@H]1c1ccccc1 517889222 ASVQAJXJDIXDMZ-IIAWOOMASA-N 311.385 2.164 0 40 DEAB CC(=O)N1CCC[C@@H]1c1nccnc1Nc1nc(C)cc(C)n1 72384630 GTTFPCYXIZSUSH-CYBMUJFWSA-N 312.377 2.310 0 40 DEAB C[C@@H]1CN(C(=O)c2ccn(C)c(=O)c2)c2cccc(Cl)c2O1 189844548 LXGAWLBNIMBKIK-SNVBAGLBSA-N 318.760 2.466 0 40 DEAB CCCCOc1ccc(NC(=O)N2C[C@H]3C[C@@H]2C(=O)O3)cc1 75162558 PJRHIAZPJIWVMU-ZIAGYGMSSA-N 304.346 2.397 0 40 DEAB O=C(NCC1CC1)NC[C@H](O)c1cccc(C(F)(F)F)c1 78663363 VQRNQAJPRVSXLE-LBPRGKRZSA-N 302.296 2.448 0 40 DEAB Cc1cnc(Nc2cccc([C@H]3CCCN3CC(N)=O)n2)s1 72383069 BUACKRAFWVHEKY-GFCCVEGCSA-N 317.418 2.212 0 40 DEAB Cc1nccn1-c1cncc([C@H]2CCCN2c2ncccn2)n1 72378789 SZVZCSKWLKOVTE-CQSZACIVSA-N 307.361 2.102 0 40 DEAB CC[C@@H](Nc1cccc(COC[C@H]2CCCCO2)c1)C(N)=O 79029676 YZAQYSLFIJFPIQ-HZPDHXFCSA-N 306.406 2.448 0 40 DEAB O=C(Nc1ccc(C(F)(F)F)nc1)C(=O)NC1CCCC1 40268634 UDWJDCGPZUEGNT-UHFFFAOYSA-N 301.268 2.098 0 40 DEAB COC(=O)C1(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)CC1 133825559 FAERQWSSVPDMJH-SNVBAGLBSA-N 316.279 2.295 0 40 DEAB CC(=O)Nc1cc(I)c(C)cc1[N+](=O)[O-] 196858866 ICFCWWBJZQNCDV-UHFFFAOYSA-N 320.086 2.466 0 40 DEAB CC(C)CCS(=O)(=O)N(C)Cc1nc2ccccc2n1C 96428274 HZNQYJFOZJJBLG-UHFFFAOYSA-N 309.435 2.381 0 40 DEAB C[C@H]1CCC[C@@H](O[C@@H](C)C(=O)N[C@@H](C)C(=O)N2CCCCC2)C1 96407247 UPVJWFYWPGVHRP-YHUYYLMFSA-N 324.465 2.487 0 40 DEAB CC(C)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 96226088 BUMNEDWVCOLVCM-KRWDZBQOSA-N 319.380 2.071 0 40 DEAB C[C@]1(C(=O)NC[C@@H]2CCCO2)CC(c2ccccc2F)=NO1 96192669 FFDSHNARILGTPM-MEDUHNTESA-N 306.337 2.004 0 40 DEAB Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1C[C@@H]2CCC[C@H]2C1 96462227 BSFQRDBRYOCZKZ-RYUDHWBXSA-N 303.406 2.248 0 40 DEAB O=C(O)c1cn(-c2ccc3c(c2)OCO3)c(=O)c2ccccc12 95095472 WTPIOIPLISXJNO-UHFFFAOYSA-N 309.277 2.418 0 40 DEAB c1ccc(CN2CC[C@@]3(C[C@H](Nc4cnccn4)CO3)C2)cc1 96219418 BLLLVAZJEIVAGU-FUHWJXTLSA-N 310.401 2.322 0 40 DEAB COCc1ncn2c1CN(C(=O)Nc1cccc(F)c1)CC2 96260128 LJQKADSGBDEYDL-UHFFFAOYSA-N 304.325 2.216 0 40 DEAB CC(=O)NC[C@H](OC(=O)c1scnc1C)c1ccccc1 96453122 OXPQEEJGKWFBMK-ZDUSSCGKSA-N 304.371 2.486 0 40 DEAB CC(C)N1[C@H](CN(C)C)C[C@@H]2CN(Cc3ccccn3)CC[C@@H]21 248048578 WWKHHGMHJSUMFF-NEWSRXKRSA-N 316.493 2.316 0 40 DEAB CN(C)C(=O)c1sc2nc([C@@H]3CCCCN3)ccc2c1N 257316029 VDVKDDYXDXMBTH-JTQLQIEISA-N 304.419 2.395 0 40 DEAB Cc1cn[nH]c1[C@H]1CCN(Cc2ccc(S(C)(=O)=O)cc2)C1 257283252 OXLYONNZYOUMII-AWEZNQCLSA-N 319.430 2.111 0 40 DEAB CC(=O)N1CCC(c2cccc(N3C[C@@H](C)OC3=O)n2)CC1 257296275 RCAOOJXICFGVGA-LLVKDONJSA-N 303.362 2.153 0 40 DEAB O=C(CN1CCC[C@H]1CCc1ccncc1)N1CCCCC1 257230271 GBNJQGNUUQAAKE-KRWDZBQOSA-N 301.434 2.491 0 40 DEAB O=C(N1CCCC1)[C@@]1(c2cnccn2)CCCN1C1CCCC1 257294740 QVMRAZCDNQJPRR-SFHVURJKSA-N 314.433 2.333 0 40 DEAB COCCn1cc2c(n1)[C@H](CNCC1CCCCC1)OCC2 96068162 KCZUQQFQIBYWCI-INIZCTEOSA-N 307.438 2.313 0 40 DEAB CCOC(=O)c1nc[nH]c1NC(=O)Cc1cccc(F)c1F 390833352 GNRQKTCWBWQJMF-UHFFFAOYSA-N 309.272 2.046 0 40 DEAB CCc1ccccc1S(=O)(=O)NCc1ncc(Cl)n1C 585140005 QULAQSIEJNSYFB-UHFFFAOYSA-N 313.810 2.114 0 40 DEAB O=C(N[C@H](c1ccc(F)cc1)c1ncc[nH]1)C1CCOCC1 585124072 HZIFHWYOTQLYSX-CQSZACIVSA-N 303.337 2.181 0 40 DEAB Cc1cccc(-c2nc(C)nn2CC(=O)Nc2cc(C)on2)c1 65565167 RJRGVCFNOFHERU-UHFFFAOYSA-N 311.345 2.497 0 40 DEAB O=C(Cc1cn2ccsc2n1)Nc1ccccc1-n1cncn1 69485442 JCLGZHWBTYNNJW-UHFFFAOYSA-N 324.369 2.158 0 40 DEAB CC(=O)c1cccc(OCC(=O)NC2(C(=O)O)CCCCC2)c1 72277016 RSHNWYBCTXOQEX-UHFFFAOYSA-N 319.357 2.172 0 40 DEAB COCCOc1ccc(NC(=O)NN2[C@@H](C)CCC[C@H]2C)cn1 77721943 PLDJWIWRYPELBC-BETUJISGSA-N 322.409 2.406 0 40 DEAB CCn1c(SCC(=O)O)nnc1-c1ccc(OC)c(OC)c1 268918 XUZJGIUIQKNYDL-UHFFFAOYSA-N 323.374 2.159 0 40 DEAB Cc1nc(C)n(CCNC(=O)c2ccc3nc(C)sc3c2)n1 12195825 BPWCBRHTRDOHRW-UHFFFAOYSA-N 315.402 2.243 0 40 DEAB CC(C)CCNC(=O)CCCN1C(=O)c2ccccc2C1=O 13717362 QHLLTXHBPUTRRM-UHFFFAOYSA-N 302.374 2.225 0 40 DEAB CCN(C(=S)NCCN1CCOCC1)c1ccccc1C 16238460 CPDMYMJOGLLKNY-UHFFFAOYSA-N 307.463 2.028 0 40 DEAB Cn1c(=O)c2[nH]c(SCc3cccnc3)nc2n(C)c1=S 17379705 OCFFPNDSXCDKMN-UHFFFAOYSA-N 319.415 2.017 0 40 DEAB Cc1c(-n2cnn([C@H](C)C(=O)O)c2=O)cccc1C(F)(F)F 675083726 LFLYEYLRIPDGAC-MRVPVSSYSA-N 315.251 2.007 0 40 DEAB CC(C)n1nccc1NC(=O)[C@@H](C)OC(=O)c1ccccn1 5692541 KJBRQOCDCSWPLK-LLVKDONJSA-N 302.334 2.043 0 40 DEAB O=C1OCCN1[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 853807594 ZODIUBFPMXFLQX-JTQLQIEISA-N 301.268 2.131 0 40 DEAB Cc1cnc(N(C)[C@H]2CCCN(Cc3cncs3)C2)nc1 1888854000 PUBKIOLJNBRZGU-ZDUSSCGKSA-N 303.435 2.342 0 40 DEAB O=C(NCc1ccc(Cl)cc1)NC1CN(c2ccccn2)C1 1888890126 UNDZARIKPIVUBR-UHFFFAOYSA-N 316.792 2.423 0 40 DEAB CC(C)c1nccn1CC1CN(c2nc3cccnc3n2C)C1 2087139492 OWVCEBGNOKWBOS-UHFFFAOYSA-N 310.405 2.425 0 40 DEAB COc1cccc(C(=O)N2CCCN([C@H]3CCSC3)CC2)c1 1565522620 VWGNFSZMVSSITQ-HNNXBMFYSA-N 320.458 2.349 0 40 DEAB COc1ccc(-c2nnc3sc(-c4cnccn4)nn23)cc1 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O=C(NCc1cccs1)N[C@@H](Cc1ccccc1)C(=O)O 539439 ZEZAIRIWDPKSIT-ZDUSSCGKSA-N 304.371 2.243 0 40 DEAB O=C(O)/C=C/C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 526152 BWBGMZWSRKOJRE-MVIFTORASA-N 300.270 2.191 0 40 DEAB C[C@H](NC(=O)CSc1nc([C@@H]2CCCO2)n[nH]1)c1ccco1 22544408 XDYHKXBASQCONC-ONGXEEELSA-N 322.390 2.219 0 40 DEAB CC(=O)Nc1ccc(F)c(C(=O)N(C)C[C@@H]2CCCCO2)c1 54140938 JCPVYFSWUFUCDO-ZDUSSCGKSA-N 308.353 2.425 0 40 DEAB C[C@H](CCc1ccco1)NC(=O)c1cccc(-n2cnnn2)c1 47742282 JQLHIAIDCNSRKD-GFCCVEGCSA-N 311.345 2.006 0 40 DEAB C[C@@H]1CCCC[C@@H]1NC(=O)CCN1C(=O)COc2ccccc21 219050 NDRCUKOEPWSDJL-KGLIPLIRSA-N 316.401 2.497 0 40 DEAB NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)o1 411409 RIGBVHUSUPWYDC-UHFFFAOYSA-N 301.327 2.173 0 40 DEAB Cc1cc(F)c2c(c1)[C@@]1(NC(=O)c3ccccc3N1C)C(=O)N2 77472032 GUUQGCPNKILLPW-KRWDZBQOSA-N 311.316 2.119 0 40 DEAB Cc1ccc([C@@H](CNC(=O)c2occc2C)N2CCOCC2)o1 25399164 OAVFFCXHBJFKNL-CQSZACIVSA-N 318.373 2.293 0 40 DEAB C[C@H]1CCC[C@@H](NC(=O)CSc2nnc(N)s2)[C@@H]1C 4164790 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2.080 0 40 DEAB C[C@H](C(N)=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 110580595 ADHJGXZTYGYBBY-JMCQJSRRSA-N 321.179 2.380 0 40 DEAB CC(C)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 98097715 NMLVNSNOQCKODU-JSGCOSHPSA-N 308.447 2.442 0 40 DEAB COc1ccccc1CCNCc1ccc(OCC(=O)O)cc1 13719322 JPMTWXNLCRIMDH-UHFFFAOYSA-N 315.369 2.491 0 40 DEAB Cc1cc(C)c(CNC(=O)NCc2ccc(F)cc2)c(=O)[nH]1 65514286 DKEPRYJODUZHQF-UHFFFAOYSA-N 303.337 2.130 0 40 DEAB Cn1ncnc1CCNC(=O)N[C@H]1CCCCc2ccccc21 95410087 UYNAZUUCTAAGCS-HNNXBMFYSA-N 313.405 2.125 0 40 DEAB O=C(OCc1nc2ccccc2o1)c1cccc(-n2cnnn2)c1 14245410 ZURPAMYUKJTSJO-UHFFFAOYSA-N 321.296 2.161 0 40 DEAB CC(C)[C@@H]1CN(C)CCN1C(=O)Nc1cnc(C2CC2)nc1 96499961 YCODHXHGSSHGPB-AWEZNQCLSA-N 303.410 2.158 0 40 DEAB Cc1noc([C@H](C)NC(=O)c2ccc(OCC3CC3)nc2)n1 66354703 UFYLNQQFSJONTB-VIFPVBQESA-N 302.334 2.053 0 40 DEAB Cn1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)n1 4734964 WLKGYPYUXFDWFD-UHFFFAOYSA-N 309.325 2.369 0 40 DEAB CCc1nccn1[C@H]1CCCN(C(=O)Cc2c(C)noc2C)C1 71870672 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40 DEAB O=C(O)C1CCN([C@H]2NC=Nc3c2sc2ncccc32)CC1 67321044 NWJQFEXZPUJPNX-CYBMUJFWSA-N 316.386 2.355 0 40 DEAB O=c1[nH]c(O)nc2c(Br)cc(Br)cc12 26899357 ZIXYTRRIMYQCPB-UHFFFAOYSA-N 319.940 2.154 0 40 DEAB COc1cc(CNC2CCCC2)ccc1OC[C@H]1NC(C)=NO1 32617173 KKTBUZBHWXXRFL-KRWDZBQOSA-N 319.405 2.386 0 40 DEAB O=C(C1CCC1)N1CC2(C1)OCC[C@@H]2CCOc1ccccn1 306124380 BNSPZYBSSXOAPG-HNNXBMFYSA-N 316.401 2.268 0 40 DEAB CCSc1cncc(N(C)Cc2nnc3ccccn23)n1 79089524 SHQYYSQBPBYGOB-UHFFFAOYSA-N 300.391 2.268 0 40 DEAB CCc1cc(NC(=O)NC[C@@](C)(O)c2ccsc2)n(C)n1 77714224 QFBCZGPQAXHEDP-CQSZACIVSA-N 308.407 2.073 0 40 DEAB CC(=O)N1CC(C(=O)Nc2nc3c(C)cc(C)cc3s2)C1 72392060 FEEMHCOGYNRNAS-UHFFFAOYSA-N 303.387 2.330 0 40 DEAB CCOc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)ncn1 79439001 OHSMTPJFOHVDLV-LBPRGKRZSA-N 322.409 2.321 0 40 DEAB CN1CCC(CC(=O)N2CCN(c3ccccc3)CC2)CC1 74920937 DPDKEGFDZHXAHM-UHFFFAOYSA-N 301.434 2.067 0 40 DEAB Cc1ccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 222419708 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c1ccc(CO[C@@H]2CN(Cc3ccoc3)[C@@H]3COC[C@H]23)nc1 96055888 SZEQWAICEPRRFA-GVDBMIGSSA-N 300.358 2.091 0 40 DEAB CCNCc1ccccc1NC(=O)c1ccc2c(c1)nnn2C 96482511 ZBAYJZFEAFDMKS-UHFFFAOYSA-N 309.373 2.330 0 40 DEAB CC(C)N(C)C[C@@H]1CC[C@@]2(COCCN(Cc3ccoc3)C2)O1 96052305 YXKRTJQHLWGKCE-ZWKOTPCHSA-N 322.449 2.370 0 40 DEAB Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)cc1Cl 95433208 MLLJUXAUSZOEAH-RYUDHWBXSA-N 317.838 2.478 0 40 DEAB O=C(Cc1ccc(OCc2ccc(F)c(F)c2)cc1)NCCO 96410297 TZQUKVZRIFLBIL-UHFFFAOYSA-N 321.323 2.195 0 40 DEAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)N[C@H]1C[C@H]2CC[C@H]1O2 245312371 ITCHTLCTQHPZPA-JJAZEVLHSA-N 315.417 2.356 0 40 DEAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2cccc3c2OCCO3)C1 257234584 GUGGUUFJAWQTOY-GFCCVEGCSA-N 313.357 2.119 0 40 DEAB NC(=O)[C@H]1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)C1 65476563 DWRCQLPQBBFWBL-ZDUSSCGKSA-N 318.392 2.361 0 40 DEAB CCn1cc(C(=O)N2CCC[C@@H]2c2cc(NC)nc(C)n2)cn1 257315153 VADQWUWXLLBXLU-CQSZACIVSA-N 314.393 2.020 0 40 DEAB CNc1nccc([C@H]2CCCCN2Cc2cnn3cccnc23)n1 257267865 MJCLRYDSFZPGKR-OAHLLOKOSA-N 323.404 2.288 0 40 DEAB COc1cc(=O)n2c(c1C(=O)N1CCc3ccccc3C1)CCC2 253398123 GMXNNJKJXULIOM-UHFFFAOYSA-N 324.380 2.002 0 40 DEAB O=C(O)c1ccc(CNC(=O)c2ccnn2C2CCCC2)o1 262803383 RYTNRCSEIWTLMF-UHFFFAOYSA-N 303.318 2.219 0 40 DEAB O=C(C1CCC1)N1CC2(C[C@H](Oc3cccnc3)CS2)C1 575403450 LCKHXAGIDAGRSK-AWEZNQCLSA-N 304.415 2.347 0 40 DEAB CN(Cc1c(F)cccc1Cl)C(=O)[C@H]1NCc2ncncc21 1553372020 ZIPBJJAHJWMBDH-AWEZNQCLSA-N 320.755 2.072 0 40 DEAB C[C@H](NC(N)=O)C(=O)NC[C@@H](C)c1c(Cl)cccc1Cl 71854191 OWIYMUQRXKIGBA-SFYZADRCSA-N 318.204 2.270 0 40 DEAB COCc1nc(C)cc(N2CCN(C(=O)CCC(C)C)CC2)n1 78953680 AHLBNGVMEJECBD-UHFFFAOYSA-N 320.437 2.016 0 40 DEAB C[C@H]1CO[C@@H](CO)CN1Cc1cccc(OC(F)(F)F)c1 92042416 HUUUNBRLADRJPD-GXFFZTMASA-N 305.296 2.167 0 40 DEAB COC(=O)C1CCN(C(=O)COc2c(C)cccc2C)CC1 42236554 RLYHVZUVANQQRG-UHFFFAOYSA-N 305.374 2.094 0 40 DEAB CCN(CC)[P@](C)(=O)c1nccn1-c1ccc(Cl)nn1 13282137 BMORQYIIPYWPBH-HXUWFJFHSA-N 313.729 2.191 0 40 DEAB COc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1OC 13465158 XTHZBJOZPGTQHB-TXEJJXNPSA-N 313.419 2.370 0 40 DEAB COc1ccc(C(=O)NCC(=O)Nc2ccccc2OC)cc1 14153090 KWGLIAKDNINJAH-UHFFFAOYSA-N 314.341 2.072 0 40 DEAB O=C(NC1CCOCC1)N1CC[C@H](n2cnc3ccccc32)C1 585149417 QNVNLBDCGXCIMN-AWEZNQCLSA-N 314.389 2.172 0 40 DEAB Cc1ccnc(N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)n1 1888844053 FGNJOSBNEKUSPA-GASCZTMLSA-N 322.416 2.025 0 40 DEAB O=C(NCCCn1cccn1)c1cc(Cl)c2c(c1)OCCO2 30169910 QXECNFNFPADOMX-UHFFFAOYSA-N 321.764 2.128 0 40 DEAB COc1cc(OC)c2[nH]c(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2c1 40493431 DLISNUNDRXGLEB-PHIMTYICSA-N 318.373 2.435 0 40 DEAB Cc1cccc2nc(C(=O)Nc3ccc4c(c3)NC(=O)CO4)cn12 21194221 NYMYNVMTGIBBEH-UHFFFAOYSA-N 322.324 2.226 0 40 DEAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccn1 21320840 UJCIFBIGKOUCLD-UHFFFAOYSA-N 310.401 2.394 0 40 DEAB CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1ncccn1 32770089 JRSQSGQYVBGXRJ-UHFFFAOYSA-N 324.306 2.405 0 40 DEAB O=C(NCCc1ccccc1F)[C@H]1CCCN(C(=O)C2CC2)C1 42382985 VLSGDRJDZWNJBP-HNNXBMFYSA-N 318.392 2.133 0 40 DEAB Cn1ccnc1COc1ccc(CSc2nncn2C)cc1 42571255 BGSCTMPLPDVWHG-UHFFFAOYSA-N 315.402 2.420 0 40 DEAB COc1cc2c(cc1OC)[C@@H]1CC3=C(CCCN3)C(=O)N1CC2 1394969 MQPMPGZUUSPQCT-HNNXBMFYSA-N 314.385 2.171 0 40 DEAB CN(C)S(=O)(=O)c1ccc(NC(=O)OC2CCCC2)cc1 1703565 WBNJRMZMCALJCA-UHFFFAOYSA-N 312.391 2.428 0 40 DEAB O=C([C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCCCC1)N1CCCCC1 1763793 BEKLOWLYNRUKBQ-YVSFHVDLSA-N 316.445 2.450 0 40 DEAB Cc1cn2nc(NC[C@H](C)N3C[C@@H](C)O[C@H](C)C3)sc2n1 25501345 UIHCCCKHTLOENX-QJPTWQEYSA-N 309.439 2.009 0 40 DEAB Cc1nnc(SCC(=O)Nc2nc3ccccc3s2)n1C 3258378 PWZZYJNVTFBYAG-UHFFFAOYSA-N 319.415 2.464 0 40 DEAB CN(C)C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1 25767377 WJCWUKGQUKUTMA-QGZVFWFLSA-N 318.442 2.409 0 40 DEAB Cc1ccc(NC(=O)c2cnc3sccn3c2=O)cc1F 4121091 HIDBKBKSZDNGNF-UHFFFAOYSA-N 303.318 2.456 0 40 DEAB COc1ccc2c3c(c(=O)oc2c1OCC(=O)O)CCCC3 4387905 FTBHKKHEQGNRJP-UHFFFAOYSA-N 304.298 2.144 0 40 DEAB Cn1cnn(CN(Cc2ccccn2)[C@H]2CCSC2)c1=S 57087096 LIRUQIDPDMLXKJ-ZDUSSCGKSA-N 321.475 2.311 0 40 DEAB CSc1ccc(C(=O)N(CCO)Cc2cccnc2)cc1 95447918 IMPDXEBQRGGZBI-UHFFFAOYSA-N 302.399 2.438 0 40 DEAB COc1ccc2c(c1)CN(C(=O)Cc1c(C)noc1C)CC2 57408253 VRABNJIBJQLDPD-UHFFFAOYSA-N 300.358 2.427 0 40 DEAB Cc1nc2cc(NC(=O)c3ccccc3-n3cnnn3)ccc2o1 57622824 QQMUQBJJBIHORC-UHFFFAOYSA-N 320.312 2.364 0 40 DEAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)COc1ccc(Cl)cc1 58063507 NVLORQAYWGQLJO-WDEREUQCSA-N 312.797 2.138 0 40 DEAB C[C@H](Cc1ccco1)NC(=O)[C@@H]1CCCN(c2cnccn2)C1 44912952 SNSJESBNOSBXDY-ZIAGYGMSSA-N 314.389 2.033 0 40 DEAB Cc1nn(C)c(N(C)C)c1CNCC1(N(C)C)CCCCC1 58394357 HNIFLLLIEXMLGT-UHFFFAOYSA-N 307.486 2.149 0 40 DEAB CC[C@H]1CN(S(=O)(=O)c2cccc3cc(C)cnc23)CCO1 28036331 HAXHZCIAGLTZHP-AWEZNQCLSA-N 320.414 2.343 0 40 DEAB COc1c(CNC2CCN(c3ccccc3)CC2)c(C)nn1C 58428059 MREKACRQBYKKLC-UHFFFAOYSA-N 314.433 2.496 0 40 DEAB O=C(CCCNC(=O)[C@H]1CCCO1)Nc1ccc(Cl)cc1 58438057 KNOJAMFSMVKCEW-CYBMUJFWSA-N 310.781 2.354 0 40 DEAB O=C(NCc1ccccn1)C(=O)Nc1ccc(Cl)cc1F 9859336 GFWUOVYVATWEMK-UHFFFAOYSA-N 307.712 2.129 0 40 DEAB Cc1cccc(N[C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)c1 100856801 CEIZVLRLMVZATF-HNNXBMFYSA-N 324.336 2.437 0 40 DEAB CC(C)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 45726810 USXHGDPWHVAJCF-UHFFFAOYSA-N 322.416 2.346 0 40 DEAB c1ccc(-c2nnc3ccc(N4CC[C@@]5(CCOC5)C4)nn23)cc1 95410711 HWCYIJWYRMJILT-GOSISDBHSA-N 321.384 2.408 0 40 DEAB COc1cc(/C=C/C(=O)/N=c2/sccn2C)cc(OC)c1 102886007 KHIGJCJQDRXKSJ-NVYONWKRSA-N 304.371 2.245 0 40 DEAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC[C@@H](O)C1 76093529 LIBHISHESSFHKG-CYBMUJFWSA-N 319.792 2.100 0 40 DEAB CC(=O)NCCCCCC(=O)NC[C@@H](C)N(C)c1ccccc1 46950257 TWQNMMPZSNJFHG-OAHLLOKOSA-N 319.449 2.324 0 40 DEAB CN1C[C@@H](C(=O)N(C)Cc2csc3ccccc23)CC1=O 46921500 YOJDLARRAUFIIL-NSHDSACASA-N 302.399 2.338 0 40 DEAB Cn1c(N2CCN(Cc3ccccc3)CC2)nc2cccnc21 118410840 RRFYTIBSKWGZJO-UHFFFAOYSA-N 307.401 2.291 0 40 DEAB CN(C)c1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1 3318480 SBRLOTBUMZKNIM-UHFFFAOYSA-N 304.390 2.358 0 40 DEAB O=C(COC(=O)COc1ccccc1)Nc1ccccc1F 3348686 BWYUSAJZFPEQSS-UHFFFAOYSA-N 303.289 2.386 0 40 DEAB Cn1ccc(NC(=O)CCCNC(=O)OCc2ccccc2)n1 48399035 JREXMMHNXOJGND-UHFFFAOYSA-N 316.361 2.065 0 40 DEAB CCOC(=O)CN(CC)C(=O)c1ccc(OC(F)F)cc1 38016196 VEULRBDOIPGXRZ-UHFFFAOYSA-N 301.289 2.313 0 40 DEAB O=[S@@](Cc1ccc(Oc2ccccc2)cc1)C[C@@H](O)CO 12960327 CVKUHFHPMZEPJA-LHSJRXKWSA-N 306.383 2.081 0 40 DEAB CN(Cc1nccn1C)C(=O)COc1ccc2c(c1)CCCC2 89761418 CWWQLFLCPZBAIY-UHFFFAOYSA-N 313.401 2.336 0 40 DEAB CN(C)C(=O)CCC[S@](=O)c1ncc(C(C)(C)C)s1 95413811 TZZBZKCYLCEYND-LJQANCHMSA-N 302.465 2.417 0 40 DEAB CC(C)Oc1ccc(NC(=O)N[C@@H]2CCN(C3CC3)C2=O)cc1 89888042 QIFORGWSBJAUTL-OAHLLOKOSA-N 317.389 2.359 0 40 DEAB CC[C@@H](OC(=O)c1cc(C(C)=O)c[nH]1)C(=O)Nc1cc(C)on1 14113083 CDKFGQIBNZBVEW-GFCCVEGCSA-N 319.317 2.088 0 40 DEAB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c(C)c1 4649203 FSHYRXIJLCRZCS-HMEQZMJYSA-N 311.337 2.232 0 40 DEAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCOC1 66896981 PQELQIXIGYRXTQ-AWEZNQCLSA-N 322.836 2.457 0 40 DEAB CC(C)N(C)C(=O)NC[C@H]1CC(=O)N(C)[C@H]1c1ccccc1 96500372 RAQDJAOAZNRKQZ-ZBFHGGJFSA-N 303.406 2.256 0 40 DEAB O=S1(=O)CCCN1Cc1csc(-c2ccc(F)cc2)n1 67712191 GRPQCJWOGVKKRW-UHFFFAOYSA-N 312.391 2.485 0 40 DEAB CCOCCCNC(=O)COc1ncnc2sc(C)c(C)c12 7814723 LIKDRMCMXSQNEU-UHFFFAOYSA-N 323.418 2.230 0 40 DEAB C[C@@H](Cc1ccco1)NC(=O)c1cn(-c2ccc(F)cc2)nn1 69328343 BJNRAYKIAIJCPV-NSHDSACASA-N 314.320 2.360 0 40 DEAB COCc1ccccc1C(=O)N[C@@H](C)C(=O)NC1CCCC1 69349988 SDISNMYTTHGNFH-LBPRGKRZSA-N 304.390 2.010 0 40 DEAB O=S(=O)(NCCc1nccs1)c1cc(F)ccc1Cl 69352217 UCQAOJLSIRVPFT-UHFFFAOYSA-N 320.798 2.457 0 40 DEAB Cc1cc(C)n(C[C@H]2CN(Cc3c(C)noc3C)CCO2)n1 69349855 VGVBZXXHIFZLSJ-OAHLLOKOSA-N 304.394 2.006 0 40 DEAB CC[C@H](C)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@H](C)CC 17024911 HREKMRHZFCJXDH-OCAPTIKFSA-N 300.296 2.086 0 40 DEAB CCC(=O)N[C@H]1CCCN(Cc2ccc(-n3ccnc3)cc2)C1 69531055 NPKYLUGGPBDFBJ-INIZCTEOSA-N 312.417 2.363 0 40 DEAB C[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)O)n1cccc1 97017898 OYYNDUHJAPAFPM-XJKSGUPXSA-N 312.369 2.477 0 40 DEAB Cc1ccc([C@H](O)CN2CCC[C@H](Cn3cncn3)C2)cc1C 69815196 BAGOMSBZKFSCKC-FUHWJXTLSA-N 314.433 2.341 0 40 DEAB Cc1cc(C(=O)N2CCC(n3ccnn3)CC2)nn1C(C)(C)C 95977863 YXQQJQUNACMHLK-UHFFFAOYSA-N 316.409 2.015 0 40 DEAB C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(N(C)C)c(Cl)c1 72292058 LXVIKOOOGCRIDY-JTQLQIEISA-N 322.800 2.208 0 40 DEAB CCn1c(C)nnc1CN[C@H](C)c1cn(-c2ccccc2)nn1 97112541 FOMUUDNOYISQEV-GFCCVEGCSA-N 311.393 2.038 0 40 DEAB CC(C)NC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)C2(C)C)c1 71284772 CLBWDIBTXNZZHX-OLZOCXBDSA-N 318.373 2.120 0 40 DEAB CN(C)c1nc(C[S@](=O)Cc2c(F)cccc2F)ns1 97237087 PBRXSRBLBHQERR-FQEVSTJZSA-N 317.386 2.331 0 40 DEAB CCOc1ccccc1C1=CCN(c2cncc(C(N)=O)n2)CC1 97227395 RCAAVBXQJGFJSN-UHFFFAOYSA-N 324.384 2.268 0 40 DEAB C[C@@H](NC(=O)NCCn1cccc1)c1cccc(-n2cncn2)c1 84455472 GKMLVXRVFZHBTK-CQSZACIVSA-N 324.388 2.129 0 40 DEAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)[nH]c(=O)n2C 84718117 YFVSVHPZSJBKGH-NSHDSACASA-N 307.353 2.458 0 40 DEAB CC(=O)NC1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2F)CC1 84753020 QCLLLCQBBAYWFV-GJZGRUSLSA-N 304.365 2.056 0 40 DEAB C[C@@H]1CC[C@@H](CO)CN1C(=O)/C=C/c1ccc2c(c1)OCO2 95444610 CNXHFNCFSWHWNI-RCOIXESOSA-N 303.358 2.048 0 40 DEAB NC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)Cc1ccccc1-2 79046936 ONBUNBKOBFZCLO-QGZVFWFLSA-N 306.365 2.348 0 40 DEAB CN1C[C@H](C(=O)N[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1=O 409412836 PUMQYIXOZXTLCL-PGZVSCLCSA-N 312.413 2.163 0 40 DEAB Cc1cc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)oc1C 1551103727 YIKMKZZOFHOMQE-INIZCTEOSA-N 303.362 2.066 0 40 DEAB N[C@@H]1CN(C(=O)NCc2cccc3ncccc23)CC12CCC2 1553521388 QOGGEALCKISODV-MRXNPFEDSA-N 310.401 2.258 0 40 DEAB C[C@H]1CN(C/C=C/CN2C[C@@H](C)C(=O)C[C@H]2C)[C@@H](C)CC1=O 36507725 AXZMGWWNXZUFCN-QIPZNREISA-N 306.450 2.141 0 40 DEAB CCN(CCO)C[C@@H]1CCCN1C(=O)OCc1ccccc1 79391672 KEULSGIYHYHLER-INIZCTEOSA-N 306.406 2.102 0 40 DEAB Cc1sc(-n2cccc2)nc1C(=O)N1CCc2nc[nH]c2C1 1565524907 XCBHFOBCZCNJRF-UHFFFAOYSA-N 313.386 2.164 0 40 DEAB O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)COc1ccccc1 72265560 IZUPNTFSLGOKMC-VHDGCEQUSA-N 303.358 2.310 0 40 DEAB CSC[C@@](C)(O)CNC(=O)c1ccc(Br)cc1 75157264 MOWPNXXNNMRMTL-LBPRGKRZSA-N 318.236 2.293 0 40 DEAB CCCCNC(=O)[C@@H]1OCC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 72241327 MDCOSDOFUNDICP-HUUCEWRRSA-N 324.808 2.155 0 40 DEAB COc1ccc([C@H](NC(=O)NCc2cnc(C)o2)C2CC2)cn1 528011047 OCTUPDCFAGCFJR-OAHLLOKOSA-N 316.361 2.337 0 40 DEAB CO[C@@H](C)c1noc(CN(C)Cc2cc(C(=O)O)c(C)o2)n1 563282321 JCXUJZUKDFZWPK-VIFPVBQESA-N 309.322 2.009 0 40 DEAB Cc1cc(CN2CCC[C@@H]2Cn2ccnc2)ccc1-n1cncn1 195573503 YXBUEWDVWAHGJU-QGZVFWFLSA-N 322.416 2.437 0 40 DEAB CC1=C(N)C(C)(C)N(Cc2ccc(Cl)cc2)S1(=O)=O 222554329 QWMFCMRCQHGKCM-UHFFFAOYSA-N 300.811 2.454 0 40 DEAB CCc1noc([C@@H]2CCCCN2C(=O)c2snnc2C)n1 41123694 KYMKLBRTASDJFA-VIFPVBQESA-N 307.379 2.159 0 40 DEAB C[C@H]1COCCN1[C@H](C)CN[C@@H](c1ccccc1)c1ncc[nH]1 195572753 YLKHQWQXJDOZMT-VYDXJSESSA-N 314.433 2.198 0 40 DEAB CCn1ccnc1[C@H](NC(=O)c1cc(C)no1)C1CCOCC1 573580467 JMBZNLFMMWOCHK-CQSZACIVSA-N 318.377 2.097 0 40 DEAB COCCC(=O)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109237 VWVTUTQVOZWBMC-PBHICJAKSA-N 304.390 2.126 0 40 DEAB COC[C@@H]1CN(Cc2nccs2)Cc2nn(CC3CC3)cc21 96060448 HIVKIFBEEGIYNQ-ZDUSSCGKSA-N 318.446 2.495 0 40 DEAB O=C1CC[C@H]2[C@H](CCN2C[C@H]2CCOC2)N1c1ccccc1 96186444 XXMVPFZMHZSBTL-PVAVHDDUSA-N 300.402 2.293 0 40 DEAB O=C(NCc1cccs1)[C@@]12CCO[C@@H]1CCN(C1CCC1)C2 96038801 OLVWLNWTRWSKTD-NVXWUHKLSA-N 320.458 2.398 0 40 DEAB C[C@H]1c2ncc(Cn3cncn3)n2CCN1Cc1ccsc1 96201273 LOWIQHVYDANHQJ-LBPRGKRZSA-N 314.418 2.161 0 40 DEAB O=C1C[C@@H](c2ccccc2)C2(CCN(C(=O)c3ccc[nH]3)CC2)N1 96199613 KVJVPJLUZKQZIN-HNNXBMFYSA-N 323.396 2.293 0 40 DEAB CC(C)(C)OC(=O)N1[C@@H](Cc2ccccc2)COS1(=O)=O 96838049 GFIYMPOLIUHNDY-LBPRGKRZSA-N 313.375 2.110 0 40 DEAB Cc1nc([C@H]2CCCN2Cc2ccc(F)cc2)ncc1C(N)=O 257271702 MZKVLDKAWLXZOB-OAHLLOKOSA-N 314.364 2.360 0 40 DEAB COc1cccc(S(=O)(=O)N2CCC[C@H]2c2cnccn2)c1 257271872 NADKKJKBHQHCCD-HNNXBMFYSA-N 319.386 2.011 0 40 DEAB O=[N+]([O-])c1cc(F)c(S(=O)(=O)Cl)cc1Br 396064192 XRUYKMBRXYUSHS-UHFFFAOYSA-N 318.507 2.424 0 40 DEAB C[C@@H]1C[C@@H]1C(=O)N1CC2(C[C@H](Oc3ccccn3)CS2)C1 575402366 BPOGSYGUGZYKBG-AGIUHOORSA-N 304.415 2.203 0 40 DEAB O[C@H]1CCN(C2CCCCC2)C[C@]1(O)COc1ccc(F)cc1 585282988 OEBWEFVCLRSGRE-ROUUACIJSA-N 323.408 2.335 0 40 DEAB O=C(NCC[C@@H]1CN(Cc2ccccc2)Cc2ccnn21)C1CC1 585111778 BQJHKPHVXFHWOV-QGZVFWFLSA-N 324.428 2.356 0 40 DEAB C[C@@H](Oc1ccccc1Cl)C(=O)NCc1cc[nH]c(=O)c1 69527853 DGWPEBCEPKWIMZ-SNVBAGLBSA-N 306.749 2.112 0 40 DEAB COc1ncnc(N)c1CNC[C@@H](C)c1ccc(F)c(F)c1 85330823 QAJOOZYMTXJAKO-SECBINFHSA-N 308.332 2.239 0 40 DEAB CN(C(=O)c1ccc(NS(C)(=O)=O)cc1)C1CCCCC1 11563937 YLZPXHQAFFFQRO-UHFFFAOYSA-N 310.419 2.463 0 40 DEAB Cc1nonc1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12116094 BIKONTBZVHNPES-AWEZNQCLSA-N 311.345 2.161 0 40 DEAB O=C(Nc1ccc(F)cc1)c1cc(F)ccc1-n1cnnn1 12409536 TUPLQKSTCLLNGN-UHFFFAOYSA-N 301.256 2.193 0 40 DEAB CC[C@@H](C(=O)N[C@H](C)CC)N(c1ccccc1)S(C)(=O)=O 13710935 CRQPNHAUWWTZFO-OCCSQVGLSA-N 312.435 2.146 0 40 DEAB O=C(Cc1ccccc1)N1CCc2nc([C@@H]3CCCN3)ncc2C1 19370289 QWQHUSWJOUAKBN-KRWDZBQOSA-N 322.412 2.029 0 40 DEAB C[C@@H](c1cc(O)n2nc(-c3ccccn3)cc2n1)n1ccnc1 19458225 OTDDTAAVXPDEFD-NSHDSACASA-N 306.329 2.303 0 40 DEAB CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]2(CCCNC2=O)C1 238172183 BELFMFDJEMZSIB-ZDUSSCGKSA-N 304.337 2.159 0 40 DEAB CNC(=O)c1ccccc1NC(=O)CC1(C(=O)O)CCCC1 13468783 HXSGWLAZVSSIRS-UHFFFAOYSA-N 304.346 2.020 0 40 DEAB Cc1nnc(NCc2cn(-c3ccccc3C(=O)O)cn2)s1 1848356235 ZIUVYHKECALVMH-UHFFFAOYSA-N 315.358 2.343 0 40 DEAB C[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)O[C@H](c2ccco2)O1 2503744 HILBEYXUJYJLAH-MGPLVRAMSA-N 317.297 2.500 0 40 DEAB CCNC(=O)Cn1c(CO)cnc1SCc1cccc(C)c1 9827418 XKMBXMXCVFUVHD-UHFFFAOYSA-N 319.430 2.112 0 40 DEAB CS(=O)(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 14784571 OGIYKFJFFFCAGS-UHFFFAOYSA-N 323.345 2.247 0 40 DEAB CO[C@@H]1CCN(C(=O)c2ccc(C)o2)[C@@H]2CN(CC3CC3)C[C@@H]21 2055715984 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